NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
3868 | 1e9t | 5771 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLU 1 H GLU 1 2.702 -17.254 14.597 2 HA GLU 1 HA GLU 1 0.200 -17.877 14.738 3 1HB GLU 1 1HB GLU 1 0.256 -16.586 17.026 4 2HB GLU 1 2HB GLU 1 0.148 -15.140 16.041 5 1HG GLU 1 1HG GLU 1 -2.082 -15.449 15.786 6 2HG GLU 1 2HG GLU 1 -1.800 -17.008 15.035 7 H GLU 2 H GLU 2 2.061 -17.323 12.784 8 HA GLU 2 HA GLU 2 2.434 -16.270 10.918 9 1HB GLU 2 1HB GLU 2 -0.512 -16.196 11.261 10 2HB GLU 2 2HB GLU 2 0.094 -15.030 10.102 11 1HG GLU 2 1HG GLU 2 1.550 -17.200 9.325 12 2HG GLU 2 2HG GLU 2 0.158 -18.028 9.994 13 H TYR 3 H TYR 3 1.923 -13.946 9.658 14 HA TYR 3 HA TYR 3 2.981 -12.003 11.510 15 1HB TYR 3 1HB TYR 3 3.371 -12.670 8.866 16 2HB TYR 3 2HB TYR 3 2.126 -11.456 8.646 17 HD1 TYR 3 HD1 TYR 3 5.316 -11.855 10.598 18 HD2 TYR 3 HD2 TYR 3 2.848 -9.299 8.216 19 HE1 TYR 3 HE1 TYR 3 7.071 -10.021 10.735 20 HE2 TYR 3 HE2 TYR 3 4.611 -7.473 8.361 21 HH TYR 3 HH TYR 3 6.431 -6.854 9.958 22 H VAL 4 H VAL 4 2.063 -9.585 10.677 23 HA VAL 4 HA VAL 4 -0.685 -9.391 10.262 24 HB VAL 4 HB VAL 4 -0.950 -10.408 12.419 25 1HG1 VAL 4 1HG1 VAL 4 1.437 -9.034 13.073 26 2HG1 VAL 4 2HG1 VAL 4 0.176 -8.407 14.161 27 3HG1 VAL 4 3HG1 VAL 4 0.503 -10.155 14.092 28 1HG2 VAL 4 1HG2 VAL 4 -1.485 -7.431 12.339 29 2HG2 VAL 4 2HG2 VAL 4 -2.607 -8.773 12.009 30 3HG2 VAL 4 3HG2 VAL 4 -2.050 -8.467 13.672 31 H GLY 5 H GLY 5 -0.837 -7.442 9.287 32 1HA GLY 5 1HA GLY 5 0.015 -5.462 8.495 33 2HA GLY 5 2HA GLY 5 1.284 -5.500 9.703 34 H LEU 6 H LEU 6 1.032 -4.405 11.660 35 HA LEU 6 HA LEU 6 -1.556 -3.051 11.977 36 1HB LEU 6 1HB LEU 6 -1.227 -3.181 14.398 37 2HB LEU 6 2HB LEU 6 -1.417 -4.751 13.642 38 HG LEU 6 HG LEU 6 1.367 -4.280 13.725 39 1HD1 LEU 6 1HD1 LEU 6 0.388 -2.553 15.546 40 2HD1 LEU 6 2HD1 LEU 6 0.507 -4.018 16.550 41 3HD1 LEU 6 3HD1 LEU 6 1.950 -3.390 15.717 42 1HD2 LEU 6 1HD2 LEU 6 -0.252 -6.365 14.105 43 2HD2 LEU 6 2HD2 LEU 6 1.426 -6.333 14.697 44 3HD2 LEU 6 3HD2 LEU 6 0.083 -5.976 15.810 45 H SER 7 H SER 7 0.823 -2.217 10.439 46 HA SER 7 HA SER 7 0.930 0.379 11.179 47 1HB SER 7 1HB SER 7 3.497 0.267 11.997 48 2HB SER 7 2HB SER 7 2.153 0.255 13.122 49 HG SER 7 HG SER 7 3.994 -1.521 13.126 50 H ALA 8 H ALA 8 3.409 1.284 10.342 51 HA ALA 8 HA ALA 8 3.394 1.101 7.670 52 1HB ALA 8 1HB ALA 8 4.911 2.666 8.315 53 2HB ALA 8 2HB ALA 8 5.402 1.741 9.754 54 3HB ALA 8 3HB ALA 8 6.083 1.334 8.161 55 H ASN 9 H ASN 9 6.258 -0.465 9.128 56 HA ASN 9 HA ASN 9 7.362 -2.228 8.452 57 1HB ASN 9 1HB ASN 9 4.593 -3.234 9.128 58 2HB ASN 9 2HB ASN 9 5.715 -4.384 8.428 59 2HD2 ASN 9 2HD2 ASN 9 4.734 -4.719 10.950 60 1HD2 ASN 9 1HD2 ASN 9 5.978 -4.512 12.136 61 H GLN 10 H GLN 10 4.373 -3.661 7.102 62 HA GLN 10 HA GLN 10 5.475 -4.377 4.733 63 1HB GLN 10 1HB GLN 10 2.560 -3.643 4.756 64 2HB GLN 10 2HB GLN 10 3.337 -5.086 4.135 65 1HG GLN 10 1HG GLN 10 3.938 -5.503 6.703 66 2HG GLN 10 2HG GLN 10 2.598 -4.410 6.990 67 2HE2 GLN 10 2HE2 GLN 10 2.291 -6.821 7.954 68 1HE2 GLN 10 1HE2 GLN 10 1.192 -7.796 7.037 69 H CYS 11 H CYS 11 3.791 -1.318 5.609 70 HA CYS 11 HA CYS 11 4.364 -0.332 2.920 71 1HB CYS 11 1HB CYS 11 2.775 1.353 4.743 72 2HB CYS 11 2HB CYS 11 2.552 0.996 3.042 73 H ALA 12 H ALA 12 6.562 -0.730 4.675 74 HA ALA 12 HA ALA 12 7.089 1.926 5.781 75 1HB ALA 12 1HB ALA 12 8.701 -0.635 6.082 76 2HB ALA 12 2HB ALA 12 7.367 -0.180 7.169 77 3HB ALA 12 3HB ALA 12 8.817 0.847 7.062 78 H VAL 13 H VAL 13 6.938 1.796 2.968 79 HA VAL 13 HA VAL 13 9.712 1.592 2.091 80 HB VAL 13 HB VAL 13 7.683 2.371 0.136 81 1HG1 VAL 13 1HG1 VAL 13 10.077 0.721 0.355 82 2HG1 VAL 13 2HG1 VAL 13 8.785 -0.097 -0.556 83 3HG1 VAL 13 3HG1 VAL 13 9.358 1.508 -1.070 84 1HG2 VAL 13 1HG2 VAL 13 7.250 -0.059 1.860 85 2HG2 VAL 13 2HG2 VAL 13 6.068 1.120 1.243 86 3HG2 VAL 13 3HG2 VAL 13 6.783 -0.082 0.143 87 HA PRO 14 HA PRO 14 10.202 5.884 2.091 88 1HB PRO 14 1HB PRO 14 12.140 6.220 0.194 89 2HB PRO 14 2HB PRO 14 12.482 5.702 1.833 90 1HG PRO 14 1HG PRO 14 12.453 4.098 -0.650 91 2HG PRO 14 2HG PRO 14 13.189 3.717 0.894 92 1HD PRO 14 1HD PRO 14 10.743 2.646 -0.152 93 2HD PRO 14 2HD PRO 14 11.419 2.355 1.438 94 H ALA 15 H ALA 15 10.281 4.798 -1.277 95 HA ALA 15 HA ALA 15 7.941 5.708 -2.142 96 1HB ALA 15 1HB ALA 15 9.643 7.992 -1.366 97 2HB ALA 15 2HB ALA 15 7.886 7.918 -1.647 98 3HB ALA 15 3HB ALA 15 9.000 8.103 -3.022 99 H LYS 16 H LYS 16 11.426 5.448 -2.534 100 HA LYS 16 HA LYS 16 11.167 5.369 -5.431 101 1HB LYS 16 1HB LYS 16 13.585 5.368 -5.456 102 2HB LYS 16 2HB LYS 16 13.006 6.660 -4.424 103 1HG LYS 16 1HG LYS 16 14.690 5.700 -3.093 104 2HG LYS 16 2HG LYS 16 13.252 4.915 -2.471 105 1HD LYS 16 1HD LYS 16 13.896 2.855 -3.230 106 2HD LYS 16 2HD LYS 16 14.409 3.483 -4.784 107 1HE LYS 16 1HE LYS 16 16.592 3.553 -4.138 108 2HE LYS 16 2HE LYS 16 16.202 4.415 -2.663 109 1HZ LYS 16 1HZ LYS 16 15.292 1.832 -2.357 110 2HZ LYS 16 2HZ LYS 16 16.799 1.713 -2.975 111 3HZ LYS 16 3HZ LYS 16 16.547 2.542 -1.591 112 H ASP 17 H ASP 17 10.305 3.328 -3.081 113 HA ASP 17 HA ASP 17 11.371 1.039 -4.540 114 1HB ASP 17 1HB ASP 17 11.360 1.664 -1.678 115 2HB ASP 17 2HB ASP 17 10.497 0.169 -1.977 116 H ARG 18 H ARG 18 8.771 2.919 -4.400 117 HA ARG 18 HA ARG 18 6.760 1.111 -3.581 118 1HB ARG 18 1HB ARG 18 6.346 3.557 -5.353 119 2HB ARG 18 2HB ARG 18 5.210 2.852 -4.221 120 1HG ARG 18 1HG ARG 18 7.851 4.179 -3.445 121 2HG ARG 18 2HG ARG 18 6.278 4.943 -3.337 122 1HD ARG 18 1HD ARG 18 5.569 2.970 -1.820 123 2HD ARG 18 2HD ARG 18 7.261 2.517 -1.770 124 HE ARG 18 HE ARG 18 7.602 4.237 -0.239 125 1HH1 ARG 18 1HH1 ARG 18 4.791 5.039 -2.198 126 2HH1 ARG 18 2HH1 ARG 18 4.442 6.496 -1.330 127 1HH2 ARG 18 1HH2 ARG 18 7.142 6.160 0.907 128 2HH2 ARG 18 2HH2 ARG 18 5.788 7.138 0.448 129 H VAL 19 H VAL 19 6.036 -0.611 -4.791 130 HA VAL 19 HA VAL 19 6.760 -0.758 -7.572 131 HB VAL 19 HB VAL 19 5.175 -2.648 -5.822 132 1HG1 VAL 19 1HG1 VAL 19 6.448 -2.941 -8.554 133 2HG1 VAL 19 2HG1 VAL 19 6.022 -4.337 -7.535 134 3HG1 VAL 19 3HG1 VAL 19 4.753 -3.217 -8.085 135 1HG2 VAL 19 1HG2 VAL 19 8.142 -2.349 -6.305 136 2HG2 VAL 19 2HG2 VAL 19 7.263 -2.482 -4.762 137 3HG2 VAL 19 3HG2 VAL 19 7.426 -3.905 -5.819 138 H ASP 20 H ASP 20 4.256 0.675 -5.785 139 HA ASP 20 HA ASP 20 2.328 1.516 -6.305 140 1HB ASP 20 1HB ASP 20 3.262 2.596 -8.213 141 2HB ASP 20 2HB ASP 20 3.459 1.089 -9.086 142 H CYS 21 H CYS 21 0.471 0.335 -5.826 143 HA CYS 21 HA CYS 21 0.188 -2.300 -6.939 144 1HB CYS 21 1HB CYS 21 -0.405 -1.264 -4.511 145 2HB CYS 21 2HB CYS 21 -1.975 -1.139 -5.280 146 H GLY 22 H GLY 22 -0.829 0.989 -7.546 147 1HA GLY 22 1HA GLY 22 -2.154 0.312 -9.947 148 2HA GLY 22 2HA GLY 22 -2.099 1.884 -9.173 149 H TYR 23 H TYR 23 -3.783 2.551 -7.742 150 HA TYR 23 HA TYR 23 -6.196 0.923 -8.008 151 1HB TYR 23 1HB TYR 23 -4.654 1.847 -5.559 152 2HB TYR 23 2HB TYR 23 -6.401 1.931 -5.452 153 HD1 TYR 23 HD1 TYR 23 -7.654 -0.311 -6.232 154 HD2 TYR 23 HD2 TYR 23 -3.608 -0.104 -4.858 155 HE1 TYR 23 HE1 TYR 23 -7.728 -2.778 -5.618 156 HE2 TYR 23 HE2 TYR 23 -3.696 -2.571 -4.248 157 HH TYR 23 HH TYR 23 -4.872 -4.375 -4.225 158 HA PRO 24 HA PRO 24 -7.947 4.813 -8.740 159 1HB PRO 24 1HB PRO 24 -10.597 4.261 -8.368 160 2HB PRO 24 2HB PRO 24 -9.737 3.877 -9.845 161 1HG PRO 24 1HG PRO 24 -10.607 2.060 -7.681 162 2HG PRO 24 2HG PRO 24 -10.141 1.667 -9.324 163 1HD PRO 24 1HD PRO 24 -8.558 1.311 -6.959 164 2HD PRO 24 2HD PRO 24 -8.051 1.026 -8.612 165 H HIS 25 H HIS 25 -10.086 3.606 -6.216 166 HA HIS 25 HA HIS 25 -9.695 6.132 -4.865 167 1HB HIS 25 1HB HIS 25 -11.603 5.525 -3.548 168 2HB HIS 25 2HB HIS 25 -11.963 5.226 -5.237 169 HD1 HIS 25 HD1 HIS 25 -13.700 3.767 -3.280 170 HD2 HIS 25 HD2 HIS 25 -10.049 2.197 -4.620 171 HE1 HIS 25 HE1 HIS 25 -13.831 1.245 -2.918 172 HE2 HIS 25 HE2 HIS 25 -11.581 0.329 -3.811 173 H VAL 26 H VAL 26 -7.493 5.887 -4.161 174 HA VAL 26 HA VAL 26 -7.015 3.685 -2.309 175 HB VAL 26 HB VAL 26 -4.670 4.478 -2.436 176 1HG1 VAL 26 1HG1 VAL 26 -6.043 3.842 -5.068 177 2HG1 VAL 26 2HG1 VAL 26 -4.287 3.754 -4.791 178 3HG1 VAL 26 3HG1 VAL 26 -5.385 2.682 -3.890 179 1HG2 VAL 26 1HG2 VAL 26 -5.807 6.830 -3.433 180 2HG2 VAL 26 2HG2 VAL 26 -4.074 6.431 -3.348 181 3HG2 VAL 26 3HG2 VAL 26 -4.993 6.094 -4.835 182 H THR 27 H THR 27 -6.731 3.972 -0.110 183 HA THR 27 HA THR 27 -6.449 6.650 0.941 184 HB THR 27 HB THR 27 -8.565 6.787 1.978 185 HG1 THR 27 HG1 THR 27 -9.776 4.721 2.267 186 1HG2 THR 27 1HG2 THR 27 -9.074 5.049 -0.494 187 2HG2 THR 27 2HG2 THR 27 -10.337 5.927 0.402 188 3HG2 THR 27 3HG2 THR 27 -9.061 6.828 -0.451 189 HA PRO 28 HA PRO 28 -4.526 4.558 4.160 190 1HB PRO 28 1HB PRO 28 -5.200 5.925 6.429 191 2HB PRO 28 2HB PRO 28 -3.996 6.493 5.290 192 1HG PRO 28 1HG PRO 28 -6.760 7.458 5.701 193 2HG PRO 28 2HG PRO 28 -5.426 8.260 4.896 194 1HD PRO 28 1HD PRO 28 -7.654 6.958 3.643 195 2HD PRO 28 2HD PRO 28 -6.262 7.658 2.840 196 H LYS 29 H LYS 29 -6.875 3.270 3.313 197 HA LYS 29 HA LYS 29 -7.128 1.428 5.372 198 1HB LYS 29 1HB LYS 29 -8.381 3.541 6.304 199 2HB LYS 29 2HB LYS 29 -9.664 3.034 5.224 200 1HG LYS 29 1HG LYS 29 -8.444 0.871 6.900 201 2HG LYS 29 2HG LYS 29 -9.367 2.080 7.771 202 1HD LYS 29 1HD LYS 29 -10.904 1.417 5.448 203 2HD LYS 29 2HD LYS 29 -10.336 -0.102 6.111 204 1HE LYS 29 1HE LYS 29 -11.111 1.227 8.414 205 2HE LYS 29 2HE LYS 29 -12.264 1.859 7.256 206 1HZ LYS 29 1HZ LYS 29 -12.459 -0.621 6.615 207 2HZ LYS 29 2HZ LYS 29 -11.874 -0.887 8.116 208 3HZ LYS 29 3HZ LYS 29 -13.263 -0.052 7.917 209 H GLU 30 H GLU 30 -8.825 3.128 2.674 210 HA GLU 30 HA GLU 30 -10.123 0.769 1.843 211 1HB GLU 30 1HB GLU 30 -11.075 2.963 1.343 212 2HB GLU 30 2HB GLU 30 -9.640 3.441 0.459 213 1HG GLU 30 1HG GLU 30 -10.332 2.386 -1.438 214 2HG GLU 30 2HG GLU 30 -10.718 0.911 -0.573 215 H CYS 31 H CYS 31 -7.078 2.464 0.993 216 HA CYS 31 HA CYS 31 -6.564 0.823 -1.262 217 1HB CYS 31 1HB CYS 31 -5.498 2.838 -1.442 218 2HB CYS 31 2HB CYS 31 -5.098 2.920 0.262 219 H ASN 32 H ASN 32 -6.078 0.676 2.242 220 HA ASN 32 HA ASN 32 -4.186 -1.477 1.963 221 1HB ASN 32 1HB ASN 32 -5.425 -0.470 4.564 222 2HB ASN 32 2HB ASN 32 -3.887 -1.283 4.358 223 2HD2 ASN 32 2HD2 ASN 32 -2.205 -0.036 4.548 224 1HD2 ASN 32 1HD2 ASN 32 -2.073 1.636 4.115 225 H ASN 33 H ASN 33 -7.491 -1.104 1.722 226 HA ASN 33 HA ASN 33 -8.115 -3.476 3.265 227 1HB ASN 33 1HB ASN 33 -9.649 -1.609 3.632 228 2HB ASN 33 2HB ASN 33 -9.840 -1.346 1.910 229 2HD2 ASN 33 2HD2 ASN 33 -11.871 -1.776 1.462 230 1HD2 ASN 33 1HD2 ASN 33 -12.741 -3.220 1.859 231 H ARG 34 H ARG 34 -8.227 -1.995 -0.029 232 HA ARG 34 HA ARG 34 -9.572 -3.979 -1.327 233 1HB ARG 34 1HB ARG 34 -8.448 -1.608 -2.068 234 2HB ARG 34 2HB ARG 34 -7.254 -2.692 -2.754 235 1HG ARG 34 1HG ARG 34 -10.259 -2.840 -3.288 236 2HG ARG 34 2HG ARG 34 -9.081 -2.132 -4.376 237 1HD ARG 34 1HD ARG 34 -7.878 -4.485 -4.205 238 2HD ARG 34 2HD ARG 34 -9.428 -5.050 -3.613 239 HE ARG 34 HE ARG 34 -10.164 -3.680 -5.872 240 1HH1 ARG 34 1HH1 ARG 34 -7.699 -6.123 -5.292 241 2HH1 ARG 34 2HH1 ARG 34 -7.768 -6.758 -6.902 242 1HH2 ARG 34 1HH2 ARG 34 -10.257 -4.518 -7.995 243 2HH2 ARG 34 2HH2 ARG 34 -9.233 -5.839 -8.450 244 H GLY 35 H GLY 35 -6.238 -3.844 -0.131 245 1HA GLY 35 1HA GLY 35 -5.704 -6.471 -1.389 246 2HA GLY 35 2HA GLY 35 -5.301 -6.091 0.274 247 H CYS 36 H CYS 36 -3.797 -4.154 0.638 248 HA CYS 36 HA CYS 36 -1.427 -4.530 -0.612 249 1HB CYS 36 1HB CYS 36 -3.134 -3.200 -2.412 250 2HB CYS 36 2HB CYS 36 -2.044 -1.970 -1.804 251 H CYS 37 H CYS 37 -0.507 -1.729 -0.665 252 HA CYS 37 HA CYS 37 -1.091 -1.004 2.114 253 1HB CYS 37 1HB CYS 37 1.491 -1.279 0.663 254 2HB CYS 37 2HB CYS 37 1.343 0.066 1.776 255 H PHE 38 H PHE 38 -1.048 1.353 2.539 256 HA PHE 38 HA PHE 38 -1.483 2.893 0.076 257 1HB PHE 38 1HB PHE 38 -3.545 2.561 1.421 258 2HB PHE 38 2HB PHE 38 -2.698 2.980 2.897 259 HD1 PHE 38 HD1 PHE 38 -3.950 4.360 -0.300 260 HD2 PHE 38 HD2 PHE 38 -2.523 5.229 3.601 261 HE1 PHE 38 HE1 PHE 38 -4.654 6.753 -0.576 262 HE2 PHE 38 HE2 PHE 38 -3.227 7.623 3.325 263 HZ PHE 38 HZ PHE 38 -4.284 8.356 1.240 264 H ASP 39 H ASP 39 -1.277 5.400 0.625 265 HA ASP 39 HA ASP 39 0.358 6.194 2.686 266 1HB ASP 39 1HB ASP 39 2.122 4.865 1.574 267 2HB ASP 39 2HB ASP 39 1.810 5.673 0.050 268 H SER 40 H SER 40 0.524 8.529 2.617 269 HA SER 40 HA SER 40 -0.297 9.747 0.110 270 1HB SER 40 1HB SER 40 -1.830 11.265 1.296 271 2HB SER 40 2HB SER 40 -2.307 9.598 1.546 272 HG SER 40 HG SER 40 -2.382 10.526 3.576 273 H ARG 41 H ARG 41 2.248 9.338 1.862 274 HA ARG 41 HA ARG 41 2.894 11.730 3.046 275 1HB ARG 41 1HB ARG 41 4.109 9.301 2.833 276 2HB ARG 41 2HB ARG 41 5.069 10.176 1.657 277 1HG ARG 41 1HG ARG 41 5.691 11.865 3.321 278 2HG ARG 41 2HG ARG 41 4.576 11.191 4.494 279 1HD ARG 41 1HD ARG 41 5.917 8.996 4.340 280 2HD ARG 41 2HD ARG 41 7.106 9.877 3.402 281 HE ARG 41 HE ARG 41 6.621 10.121 6.281 282 1HH1 ARG 41 1HH1 ARG 41 7.946 11.717 3.437 283 2HH1 ARG 41 2HH1 ARG 41 9.002 12.744 4.348 284 1HH2 ARG 41 1HH2 ARG 41 8.014 11.477 7.483 285 2HH2 ARG 41 2HH2 ARG 41 9.041 12.607 6.665 286 H ILE 42 H ILE 42 3.313 10.536 -0.335 287 HA ILE 42 HA ILE 42 3.522 13.272 -1.230 288 HB ILE 42 HB ILE 42 5.574 12.213 -2.668 289 1HG1 ILE 42 1HG1 ILE 42 7.149 11.204 -1.053 290 2HG1 ILE 42 2HG1 ILE 42 5.887 11.170 0.163 291 1HG2 ILE 42 1HG2 ILE 42 5.729 13.800 -0.091 292 2HG2 ILE 42 2HG2 ILE 42 7.025 13.659 -1.304 293 3HG2 ILE 42 3HG2 ILE 42 5.489 14.451 -1.730 294 1HD1 ILE 42 1HD1 ILE 42 5.165 9.945 -2.467 295 2HD1 ILE 42 2HD1 ILE 42 6.400 9.086 -1.515 296 3HD1 ILE 42 3HD1 ILE 42 4.793 9.397 -0.815 297 HA PRO 43 HA PRO 43 1.160 11.343 -4.308 298 1HB PRO 43 1HB PRO 43 0.791 13.492 -5.956 299 2HB PRO 43 2HB PRO 43 -0.184 13.200 -4.530 300 1HG PRO 43 1HG PRO 43 1.974 15.181 -4.926 301 2HG PRO 43 2HG PRO 43 0.724 15.150 -3.698 302 1HD PRO 43 1HD PRO 43 3.480 14.430 -3.360 303 2HD PRO 43 2HD PRO 43 2.205 14.290 -2.165 304 H GLY 44 H GLY 44 4.076 13.061 -5.056 305 1HA GLY 44 1HA GLY 44 5.731 12.520 -6.489 306 2HA GLY 44 2HA GLY 44 4.455 12.494 -7.690 307 H VAL 45 H VAL 45 4.475 10.234 -4.929 308 HA VAL 45 HA VAL 45 5.376 8.112 -6.741 309 HB VAL 45 HB VAL 45 6.335 7.079 -4.975 310 1HG1 VAL 45 1HG1 VAL 45 6.218 9.992 -4.158 311 2HG1 VAL 45 2HG1 VAL 45 7.215 8.791 -3.303 312 3HG1 VAL 45 3HG1 VAL 45 7.516 9.134 -5.023 313 1HG2 VAL 45 1HG2 VAL 45 4.023 8.149 -3.388 314 2HG2 VAL 45 2HG2 VAL 45 4.608 6.478 -3.569 315 3HG2 VAL 45 3HG2 VAL 45 5.493 7.623 -2.533 316 HA PRO 46 HA PRO 46 1.520 6.169 -6.491 317 1HB PRO 46 1HB PRO 46 2.054 3.513 -6.132 318 2HB PRO 46 2HB PRO 46 2.209 4.321 -7.679 319 1HG PRO 46 1HG PRO 46 4.338 3.451 -5.822 320 2HG PRO 46 2HG PRO 46 4.464 3.860 -7.521 321 1HD PRO 46 1HD PRO 46 5.253 5.494 -5.299 322 2HD PRO 46 2HD PRO 46 5.271 5.947 -6.992 323 H TRP 47 H TRP 47 0.645 7.285 -4.712 324 HA TRP 47 HA TRP 47 0.993 6.950 -2.144 325 1HB TRP 47 1HB TRP 47 -1.496 7.213 -3.756 326 2HB TRP 47 2HB TRP 47 -1.671 6.862 -2.048 327 HD1 TRP 47 HD1 TRP 47 1.197 9.159 -3.207 328 HE1 TRP 47 HE1 TRP 47 0.846 11.633 -2.358 329 HE3 TRP 47 HE3 TRP 47 -3.498 8.428 -1.396 330 HZ2 TRP 47 HZ2 TRP 47 -1.308 12.976 -1.054 331 HZ3 TRP 47 HZ3 TRP 47 -4.655 10.373 -0.351 332 HH2 TRP 47 HH2 TRP 47 -3.635 12.587 -0.164 333 H CYS 48 H CYS 48 -1.030 4.654 -4.118 334 HA CYS 48 HA CYS 48 -0.889 2.757 -1.934 335 1HB CYS 48 1HB CYS 48 -2.991 3.348 -3.333 336 2HB CYS 48 2HB CYS 48 -2.293 2.303 -4.554 337 H PHE 49 H PHE 49 0.873 1.406 -1.877 338 HA PHE 49 HA PHE 49 1.835 0.380 -4.442 339 1HB PHE 49 1HB PHE 49 4.172 0.607 -3.292 340 2HB PHE 49 2HB PHE 49 3.436 2.102 -3.835 341 HD1 PHE 49 HD1 PHE 49 3.618 -0.056 -0.795 342 HD2 PHE 49 HD2 PHE 49 3.314 3.876 -2.360 343 HE1 PHE 49 HE1 PHE 49 3.809 0.881 1.525 344 HE2 PHE 49 HE2 PHE 49 3.505 4.814 -0.039 345 HZ PHE 49 HZ PHE 49 3.750 3.306 1.875 346 H LYS 50 H LYS 50 3.283 -1.603 -4.109 347 HA LYS 50 HA LYS 50 1.902 -3.431 -2.475 348 1HB LYS 50 1HB LYS 50 4.493 -3.619 -4.033 349 2HB LYS 50 2HB LYS 50 3.776 -4.975 -3.187 350 1HG LYS 50 1HG LYS 50 1.591 -4.035 -4.588 351 2HG LYS 50 2HG LYS 50 2.887 -3.619 -5.691 352 1HD LYS 50 1HD LYS 50 3.501 -6.245 -4.804 353 2HD LYS 50 2HD LYS 50 1.768 -6.253 -5.064 354 1HE LYS 50 1HE LYS 50 2.820 -4.834 -7.284 355 2HE LYS 50 2HE LYS 50 3.935 -6.163 -7.039 356 1HZ LYS 50 1HZ LYS 50 1.775 -7.517 -6.834 357 2HZ LYS 50 2HZ LYS 50 1.090 -6.269 -7.633 358 3HZ LYS 50 3HZ LYS 50 2.318 -7.100 -8.316 359 HA PRO 51 HA PRO 51 4.111 -3.208 1.224 360 1HB PRO 51 1HB PRO 51 4.136 -5.791 2.115 361 2HB PRO 51 2HB PRO 51 2.740 -4.741 2.258 362 1HG PRO 51 1HG PRO 51 3.192 -6.978 0.379 363 2HG PRO 51 2HG PRO 51 1.683 -6.208 0.826 364 1HD PRO 51 1HD PRO 51 3.150 -5.826 -1.610 365 2HD PRO 51 2HD PRO 51 1.704 -4.971 -1.113 366 H LEU 52 H LEU 52 6.151 -2.680 1.663 367 HA LEU 52 HA LEU 52 8.236 -3.245 0.134 368 1HB LEU 52 1HB LEU 52 8.549 -1.740 1.868 369 2HB LEU 52 2HB LEU 52 8.011 -2.868 3.097 370 HG LEU 52 HG LEU 52 10.590 -3.218 1.552 371 1HD1 LEU 52 1HD1 LEU 52 10.100 -1.786 4.172 372 2HD1 LEU 52 2HD1 LEU 52 11.699 -2.357 3.636 373 3HD1 LEU 52 3HD1 LEU 52 10.825 -1.135 2.682 374 1HD2 LEU 52 1HD2 LEU 52 9.143 -4.875 3.385 375 2HD2 LEU 52 2HD2 LEU 52 10.684 -5.192 2.553 376 3HD2 LEU 52 3HD2 LEU 52 10.678 -4.377 4.136 377 H GLN 53 H GLN 53 9.592 -4.917 -0.401 378 HA GLN 53 HA GLN 53 8.704 -7.490 0.088 379 1HB GLN 53 1HB GLN 53 10.904 -8.169 -0.948 380 2HB GLN 53 2HB GLN 53 10.001 -7.001 -1.892 381 1HG GLN 53 1HG GLN 53 11.799 -5.713 0.068 382 2HG GLN 53 2HG GLN 53 12.665 -6.739 -1.058 383 2HE2 GLN 53 2HE2 GLN 53 11.178 -3.764 -0.539 384 1HE2 GLN 53 1HE2 GLN 53 11.206 -3.126 -2.149 385 H GLU 54 H GLU 54 8.458 -7.584 2.446 386 HA GLU 54 HA GLU 54 10.374 -7.081 4.270 387 1HB GLU 54 1HB GLU 54 9.076 -8.328 5.777 388 2HB GLU 54 2HB GLU 54 7.914 -7.924 4.530 389 1HG GLU 54 1HG GLU 54 8.591 -10.196 3.426 390 2HG GLU 54 2HG GLU 54 9.344 -10.574 4.963 391 H ALA 55 H ALA 55 12.442 -7.789 4.541 392 HA ALA 55 HA ALA 55 12.998 -10.605 4.142 393 1HB ALA 55 1HB ALA 55 14.236 -10.407 2.264 394 2HB ALA 55 2HB ALA 55 15.033 -8.927 2.849 395 3HB ALA 55 3HB ALA 55 13.447 -8.826 2.048 396 H GLU 56 H GLU 56 13.023 -10.226 6.549 397 HA GLU 56 HA GLU 56 15.685 -9.305 7.267 398 1HB GLU 56 1HB GLU 56 13.046 -8.407 8.417 399 2HB GLU 56 2HB GLU 56 14.418 -8.543 9.499 400 1HG GLU 56 1HG GLU 56 15.336 -6.628 8.695 401 2HG GLU 56 2HG GLU 56 15.252 -7.214 7.045 402 H CYS 57 H CYS 57 16.790 -10.818 8.452 403 HA CYS 57 HA CYS 57 15.179 -12.763 9.922 404 1HB CYS 57 1HB CYS 57 16.947 -14.475 9.241 405 2HB CYS 57 2HB CYS 57 15.708 -14.050 8.077 406 H THR 58 H THR 58 15.741 -12.496 12.054 407 HA THR 58 HA THR 58 18.529 -11.724 12.615 408 HB THR 58 HB THR 58 16.703 -10.034 13.153 409 HG1 THR 58 HG1 THR 58 18.256 -9.691 14.691 410 1HG2 THR 58 1HG2 THR 58 15.182 -12.126 14.025 411 2HG2 THR 58 2HG2 THR 58 15.989 -11.698 15.552 412 3HG2 THR 58 3HG2 THR 58 15.014 -10.484 14.691 413 H PHE 59 H PHE 59 15.802 -13.888 13.433 414 HA PHE 59 HA PHE 59 16.913 -15.104 15.643 415 1HB PHE 59 1HB PHE 59 14.586 -15.416 14.772 416 2HB PHE 59 2HB PHE 59 15.208 -16.141 13.302 417 HD1 PHE 59 HD1 PHE 59 16.210 -18.408 13.369 418 HD2 PHE 59 HD2 PHE 59 14.344 -16.699 16.776 419 HE1 PHE 59 HE1 PHE 59 16.052 -20.681 14.422 420 HE2 PHE 59 HE2 PHE 59 14.186 -18.972 17.829 421 HZ PHE 59 HZ PHE 59 15.042 -20.936 16.639 No H/Q in entry = 421 Start of MODEL 2 1 H GLU 1 H GLU 1 11.649 -15.814 12.278 2 HA GLU 1 HA GLU 1 11.627 -16.861 14.556 3 1HB GLU 1 1HB GLU 1 14.110 -15.174 14.589 4 2HB GLU 1 2HB GLU 1 13.149 -15.196 16.054 5 1HG GLU 1 1HG GLU 1 13.618 -17.413 16.502 6 2HG GLU 1 2HG GLU 1 13.600 -17.873 14.811 7 H GLU 2 H GLU 2 12.559 -13.373 14.056 8 HA GLU 2 HA GLU 2 9.859 -12.727 14.954 9 1HB GLU 2 1HB GLU 2 11.572 -11.972 16.551 10 2HB GLU 2 2HB GLU 2 12.446 -11.144 15.277 11 1HG GLU 2 1HG GLU 2 11.093 -9.319 15.407 12 2HG GLU 2 2HG GLU 2 9.643 -10.298 15.307 13 H TYR 3 H TYR 3 8.609 -12.184 13.216 14 HA TYR 3 HA TYR 3 9.892 -10.541 11.137 15 1HB TYR 3 1HB TYR 3 8.577 -11.828 9.561 16 2HB TYR 3 2HB TYR 3 9.128 -13.034 10.706 17 HD1 TYR 3 HD1 TYR 3 7.542 -13.787 12.553 18 HD2 TYR 3 HD2 TYR 3 6.260 -11.421 9.227 19 HE1 TYR 3 HE1 TYR 3 5.130 -14.459 12.995 20 HE2 TYR 3 HE2 TYR 3 3.853 -12.102 9.680 21 HH TYR 3 HH TYR 3 3.086 -14.382 12.291 22 H VAL 4 H VAL 4 8.922 -8.614 10.632 23 HA VAL 4 HA VAL 4 6.303 -8.140 11.879 24 HB VAL 4 HB VAL 4 7.028 -5.765 12.011 25 1HG1 VAL 4 1HG1 VAL 4 8.599 -7.873 13.519 26 2HG1 VAL 4 2HG1 VAL 4 8.646 -6.141 13.929 27 3HG1 VAL 4 3HG1 VAL 4 7.110 -7.037 14.023 28 1HG2 VAL 4 1HG2 VAL 4 9.731 -6.910 11.230 29 2HG2 VAL 4 2HG2 VAL 4 8.758 -5.740 10.307 30 3HG2 VAL 4 3HG2 VAL 4 9.460 -5.273 11.875 31 H GLY 5 H GLY 5 4.719 -8.046 10.379 32 1HA GLY 5 1HA GLY 5 4.739 -8.230 7.770 33 2HA GLY 5 2HA GLY 5 5.244 -6.557 7.910 34 H LEU 6 H LEU 6 3.561 -6.578 10.613 35 HA LEU 6 HA LEU 6 0.904 -6.545 9.409 36 1HB LEU 6 1HB LEU 6 0.067 -6.549 11.651 37 2HB LEU 6 2HB LEU 6 1.232 -7.843 11.446 38 HG LEU 6 HG LEU 6 2.611 -5.529 12.438 39 1HD1 LEU 6 1HD1 LEU 6 0.008 -6.167 13.808 40 2HD1 LEU 6 2HD1 LEU 6 1.405 -5.548 14.721 41 3HD1 LEU 6 3HD1 LEU 6 0.712 -4.586 13.394 42 1HD2 LEU 6 1HD2 LEU 6 1.978 -8.240 13.632 43 2HD2 LEU 6 2HD2 LEU 6 3.430 -7.774 12.713 44 3HD2 LEU 6 3HD2 LEU 6 3.130 -7.068 14.319 45 H SER 7 H SER 7 0.904 -4.648 8.175 46 HA SER 7 HA SER 7 0.714 -2.526 7.770 47 1HB SER 7 1HB SER 7 -0.446 -1.161 9.295 48 2HB SER 7 2HB SER 7 -0.888 -2.777 9.811 49 HG SER 7 HG SER 7 1.047 -0.997 11.005 50 H ALA 8 H ALA 8 1.933 -0.491 7.741 51 HA ALA 8 HA ALA 8 3.739 0.770 7.958 52 1HB ALA 8 1HB ALA 8 4.642 1.113 10.079 53 2HB ALA 8 2HB ALA 8 4.541 -0.610 10.516 54 3HB ALA 8 3HB ALA 8 3.067 0.387 10.478 55 H ASN 9 H ASN 9 4.905 -2.262 9.584 56 HA ASN 9 HA ASN 9 7.332 -2.316 8.444 57 1HB ASN 9 1HB ASN 9 5.613 -4.809 8.895 58 2HB ASN 9 2HB ASN 9 7.363 -4.730 8.944 59 2HD2 ASN 9 2HD2 ASN 9 4.577 -4.709 10.732 60 1HD2 ASN 9 1HD2 ASN 9 5.152 -4.055 12.229 61 H GLN 10 H GLN 10 4.176 -3.030 7.016 62 HA GLN 10 HA GLN 10 5.362 -4.376 4.765 63 1HB GLN 10 1HB GLN 10 2.829 -4.296 4.017 64 2HB GLN 10 2HB GLN 10 3.335 -5.401 5.280 65 1HG GLN 10 1HG GLN 10 2.462 -4.015 7.018 66 2HG GLN 10 2HG GLN 10 2.395 -2.601 5.985 67 2HE2 GLN 10 2HE2 GLN 10 1.251 -5.978 5.861 68 1HE2 GLN 10 1HE2 GLN 10 -0.387 -5.637 5.411 69 H CYS 11 H CYS 11 3.844 -1.254 5.659 70 HA CYS 11 HA CYS 11 4.378 -0.323 2.936 71 1HB CYS 11 1HB CYS 11 2.775 1.392 4.716 72 2HB CYS 11 2HB CYS 11 2.568 1.010 3.018 73 H ALA 12 H ALA 12 6.576 -0.691 4.659 74 HA ALA 12 HA ALA 12 7.091 1.966 5.773 75 1HB ALA 12 1HB ALA 12 9.199 0.522 6.576 76 2HB ALA 12 2HB ALA 12 7.642 0.468 7.436 77 3HB ALA 12 3HB ALA 12 8.069 -0.821 6.285 78 H VAL 13 H VAL 13 6.939 1.774 2.942 79 HA VAL 13 HA VAL 13 9.710 1.589 2.068 80 HB VAL 13 HB VAL 13 7.672 2.375 0.121 81 1HG1 VAL 13 1HG1 VAL 13 10.094 0.804 0.297 82 2HG1 VAL 13 2HG1 VAL 13 8.811 -0.124 -0.516 83 3HG1 VAL 13 3HG1 VAL 13 9.281 1.477 -1.137 84 1HG2 VAL 13 1HG2 VAL 13 7.261 -0.074 1.829 85 2HG2 VAL 13 2HG2 VAL 13 6.070 1.117 1.253 86 3HG2 VAL 13 3HG2 VAL 13 6.763 -0.067 0.119 87 HA PRO 14 HA PRO 14 10.217 5.879 2.061 88 1HB PRO 14 1HB PRO 14 12.144 6.207 0.150 89 2HB PRO 14 2HB PRO 14 12.495 5.687 1.787 90 1HG PRO 14 1HG PRO 14 12.442 4.084 -0.697 91 2HG PRO 14 2HG PRO 14 13.188 3.700 0.842 92 1HD PRO 14 1HD PRO 14 10.729 2.639 -0.187 93 2HD PRO 14 2HD PRO 14 11.416 2.345 1.399 94 H ALA 15 H ALA 15 10.287 4.808 -1.313 95 HA ALA 15 HA ALA 15 7.939 5.723 -2.161 96 1HB ALA 15 1HB ALA 15 9.631 7.995 -1.365 97 2HB ALA 15 2HB ALA 15 7.883 7.935 -1.696 98 3HB ALA 15 3HB ALA 15 9.037 8.116 -3.038 99 H LYS 16 H LYS 16 11.420 5.449 -2.574 100 HA LYS 16 HA LYS 16 11.147 5.379 -5.469 101 1HB LYS 16 1HB LYS 16 13.570 5.345 -5.498 102 2HB LYS 16 2HB LYS 16 13.000 6.653 -4.481 103 1HG LYS 16 1HG LYS 16 14.510 5.785 -2.981 104 2HG LYS 16 2HG LYS 16 13.190 4.701 -2.590 105 1HD LYS 16 1HD LYS 16 14.079 3.063 -4.300 106 2HD LYS 16 2HD LYS 16 15.439 4.133 -4.578 107 1HE LYS 16 1HE LYS 16 15.670 3.961 -1.898 108 2HE LYS 16 2HE LYS 16 14.805 2.458 -2.150 109 1HZ LYS 16 1HZ LYS 16 16.578 2.170 -4.000 110 2HZ LYS 16 2HZ LYS 16 17.440 3.219 -3.092 111 3HZ LYS 16 3HZ LYS 16 16.937 1.804 -2.449 112 H ASP 17 H ASP 17 10.348 3.331 -3.066 113 HA ASP 17 HA ASP 17 11.367 1.041 -4.557 114 1HB ASP 17 1HB ASP 17 11.376 1.664 -1.696 115 2HB ASP 17 2HB ASP 17 10.499 0.176 -1.989 116 H ARG 18 H ARG 18 8.776 2.932 -4.404 117 HA ARG 18 HA ARG 18 6.759 1.141 -3.572 118 1HB ARG 18 1HB ARG 18 6.369 3.582 -5.359 119 2HB ARG 18 2HB ARG 18 5.214 2.884 -4.242 120 1HG ARG 18 1HG ARG 18 7.849 4.208 -3.441 121 2HG ARG 18 2HG ARG 18 6.270 4.962 -3.333 122 1HD ARG 18 1HD ARG 18 5.574 2.963 -1.835 123 2HD ARG 18 2HD ARG 18 7.274 2.542 -1.772 124 HE ARG 18 HE ARG 18 7.560 4.252 -0.221 125 1HH1 ARG 18 1HH1 ARG 18 4.787 5.042 -2.239 126 2HH1 ARG 18 2HH1 ARG 18 4.412 6.496 -1.376 127 1HH2 ARG 18 1HH2 ARG 18 7.066 6.171 0.917 128 2HH2 ARG 18 2HH2 ARG 18 5.717 7.143 0.431 129 H VAL 19 H VAL 19 6.047 -0.599 -4.764 130 HA VAL 19 HA VAL 19 6.746 -0.760 -7.550 131 HB VAL 19 HB VAL 19 5.031 -2.721 -6.064 132 1HG1 VAL 19 1HG1 VAL 19 6.164 -2.669 -8.603 133 2HG1 VAL 19 2HG1 VAL 19 7.261 -3.715 -7.670 134 3HG1 VAL 19 3HG1 VAL 19 5.526 -4.100 -7.758 135 1HG2 VAL 19 1HG2 VAL 19 7.837 -1.970 -5.436 136 2HG2 VAL 19 2HG2 VAL 19 6.583 -2.702 -4.407 137 3HG2 VAL 19 3HG2 VAL 19 7.492 -3.712 -5.557 138 H ASP 20 H ASP 20 4.225 0.625 -5.725 139 HA ASP 20 HA ASP 20 2.285 1.447 -6.231 140 1HB ASP 20 1HB ASP 20 3.203 2.563 -8.129 141 2HB ASP 20 2HB ASP 20 3.409 1.070 -9.022 142 H CYS 21 H CYS 21 0.426 0.254 -5.787 143 HA CYS 21 HA CYS 21 0.191 -2.387 -6.892 144 1HB CYS 21 1HB CYS 21 -0.451 -1.365 -4.485 145 2HB CYS 21 2HB CYS 21 -2.006 -1.211 -5.278 146 H GLY 22 H GLY 22 -0.925 0.896 -7.477 147 1HA GLY 22 1HA GLY 22 -2.189 0.162 -9.918 148 2HA GLY 22 2HA GLY 22 -2.125 1.752 -9.184 149 H TYR 23 H TYR 23 -3.795 2.451 -7.734 150 HA TYR 23 HA TYR 23 -6.230 0.850 -7.997 151 1HB TYR 23 1HB TYR 23 -4.683 1.789 -5.558 152 2HB TYR 23 2HB TYR 23 -6.428 1.906 -5.456 153 HD1 TYR 23 HD1 TYR 23 -7.732 -0.315 -6.165 154 HD2 TYR 23 HD2 TYR 23 -3.660 -0.180 -4.861 155 HE1 TYR 23 HE1 TYR 23 -7.852 -2.770 -5.513 156 HE2 TYR 23 HE2 TYR 23 -3.793 -2.634 -4.213 157 HH TYR 23 HH TYR 23 -6.167 -4.190 -3.533 158 HA PRO 24 HA PRO 24 -7.920 4.752 -8.808 159 1HB PRO 24 1HB PRO 24 -10.583 4.222 -8.492 160 2HB PRO 24 2HB PRO 24 -9.692 3.822 -9.948 161 1HG PRO 24 1HG PRO 24 -10.625 2.026 -7.793 162 2HG PRO 24 2HG PRO 24 -10.125 1.619 -9.422 163 1HD PRO 24 1HD PRO 24 -8.599 1.266 -7.020 164 2HD PRO 24 2HD PRO 24 -8.057 0.967 -8.660 165 H HIS 25 H HIS 25 -10.031 3.509 -6.267 166 HA HIS 25 HA HIS 25 -9.702 6.067 -4.947 167 1HB HIS 25 1HB HIS 25 -11.645 5.533 -3.722 168 2HB HIS 25 2HB HIS 25 -11.954 5.028 -5.371 169 HD1 HIS 25 HD1 HIS 25 -13.458 3.841 -2.859 170 HD2 HIS 25 HD2 HIS 25 -10.190 2.065 -4.799 171 HE1 HIS 25 HE1 HIS 25 -13.578 1.349 -2.326 172 HE2 HIS 25 HE2 HIS 25 -11.576 0.303 -3.589 173 H VAL 26 H VAL 26 -7.506 5.849 -4.218 174 HA VAL 26 HA VAL 26 -7.028 3.663 -2.345 175 HB VAL 26 HB VAL 26 -4.687 4.468 -2.462 176 1HG1 VAL 26 1HG1 VAL 26 -6.025 3.813 -5.108 177 2HG1 VAL 26 2HG1 VAL 26 -4.275 3.714 -4.796 178 3HG1 VAL 26 3HG1 VAL 26 -5.398 2.656 -3.908 179 1HG2 VAL 26 1HG2 VAL 26 -5.559 6.855 -3.188 180 2HG2 VAL 26 2HG2 VAL 26 -3.978 6.250 -3.739 181 3HG2 VAL 26 3HG2 VAL 26 -5.387 6.177 -4.825 182 H THR 27 H THR 27 -6.800 3.969 -0.148 183 HA THR 27 HA THR 27 -6.557 6.672 0.872 184 HB THR 27 HB THR 27 -8.665 6.729 1.955 185 HG1 THR 27 HG1 THR 27 -9.832 4.619 2.164 186 1HG2 THR 27 1HG2 THR 27 -9.145 5.047 -0.562 187 2HG2 THR 27 2HG2 THR 27 -10.418 5.890 0.353 188 3HG2 THR 27 3HG2 THR 27 -9.153 6.825 -0.480 189 HA PRO 28 HA PRO 28 -4.529 4.673 4.085 190 1HB PRO 28 1HB PRO 28 -5.172 6.095 6.328 191 2HB PRO 28 2HB PRO 28 -3.997 6.644 5.150 192 1HG PRO 28 1HG PRO 28 -6.762 7.593 5.591 193 2HG PRO 28 2HG PRO 28 -5.452 8.385 4.738 194 1HD PRO 28 1HD PRO 28 -7.691 7.028 3.565 195 2HD PRO 28 2HD PRO 28 -6.322 7.720 2.717 196 H LYS 29 H LYS 29 -6.904 3.359 3.321 197 HA LYS 29 HA LYS 29 -7.090 1.560 5.428 198 1HB LYS 29 1HB LYS 29 -8.335 3.690 6.337 199 2HB LYS 29 2HB LYS 29 -9.641 3.144 5.304 200 1HG LYS 29 1HG LYS 29 -8.503 0.904 6.820 201 2HG LYS 29 2HG LYS 29 -9.012 2.190 7.895 202 1HD LYS 29 1HD LYS 29 -10.993 1.725 5.772 203 2HD LYS 29 2HD LYS 29 -10.672 0.259 6.676 204 1HE LYS 29 1HE LYS 29 -10.845 2.205 8.687 205 2HE LYS 29 2HE LYS 29 -12.059 2.725 7.535 206 1HZ LYS 29 1HZ LYS 29 -11.857 -0.001 8.613 207 2HZ LYS 29 2HZ LYS 29 -12.903 1.136 9.142 208 3HZ LYS 29 3HZ LYS 29 -13.029 0.554 7.621 209 H GLU 30 H GLU 30 -8.716 3.177 2.658 210 HA GLU 30 HA GLU 30 -10.075 0.798 1.935 211 1HB GLU 30 1HB GLU 30 -10.930 3.098 1.432 212 2HB GLU 30 2HB GLU 30 -9.589 3.347 0.331 213 1HG GLU 30 1HG GLU 30 -10.838 2.409 -1.311 214 2HG GLU 30 2HG GLU 30 -10.705 0.875 -0.474 215 H CYS 31 H CYS 31 -7.079 2.517 0.934 216 HA CYS 31 HA CYS 31 -6.576 0.847 -1.276 217 1HB CYS 31 1HB CYS 31 -5.463 2.830 -1.456 218 2HB CYS 31 2HB CYS 31 -5.078 2.915 0.251 219 H ASN 32 H ASN 32 -5.850 0.790 2.230 220 HA ASN 32 HA ASN 32 -4.078 -1.430 1.925 221 1HB ASN 32 1HB ASN 32 -3.451 -0.927 4.086 222 2HB ASN 32 2HB ASN 32 -4.350 0.556 3.830 223 2HD2 ASN 32 2HD2 ASN 32 -3.868 -1.790 5.959 224 1HD2 ASN 32 1HD2 ASN 32 -5.403 -1.898 6.755 225 H ASN 33 H ASN 33 -7.403 -0.998 1.777 226 HA ASN 33 HA ASN 33 -8.013 -3.401 3.275 227 1HB ASN 33 1HB ASN 33 -9.557 -1.607 3.751 228 2HB ASN 33 2HB ASN 33 -9.696 -1.168 2.060 229 2HD2 ASN 33 2HD2 ASN 33 -11.251 -2.011 0.856 230 1HD2 ASN 33 1HD2 ASN 33 -12.335 -3.280 1.319 231 H ARG 34 H ARG 34 -8.134 -1.866 0.011 232 HA ARG 34 HA ARG 34 -9.549 -3.798 -1.299 233 1HB ARG 34 1HB ARG 34 -8.383 -1.438 -2.015 234 2HB ARG 34 2HB ARG 34 -7.229 -2.538 -2.743 235 1HG ARG 34 1HG ARG 34 -9.104 -1.879 -4.298 236 2HG ARG 34 2HG ARG 34 -8.959 -3.611 -4.076 237 1HD ARG 34 1HD ARG 34 -10.734 -2.375 -2.063 238 2HD ARG 34 2HD ARG 34 -11.290 -2.089 -3.700 239 HE ARG 34 HE ARG 34 -10.687 -4.772 -3.760 240 1HH1 ARG 34 1HH1 ARG 34 -12.615 -2.811 -1.564 241 2HH1 ARG 34 2HH1 ARG 34 -13.690 -4.104 -1.149 242 1HH2 ARG 34 1HH2 ARG 34 -12.105 -6.478 -3.212 243 2HH2 ARG 34 2HH2 ARG 34 -13.398 -6.204 -2.093 244 H GLY 35 H GLY 35 -6.238 -3.795 -0.081 245 1HA GLY 35 1HA GLY 35 -5.756 -6.388 -1.425 246 2HA GLY 35 2HA GLY 35 -5.339 -6.058 0.245 247 H CYS 36 H CYS 36 -3.821 -4.109 0.628 248 HA CYS 36 HA CYS 36 -1.445 -4.524 -0.602 249 1HB CYS 36 1HB CYS 36 -3.114 -3.187 -2.424 250 2HB CYS 36 2HB CYS 36 -2.029 -1.958 -1.805 251 H CYS 37 H CYS 37 -0.514 -1.713 -0.667 252 HA CYS 37 HA CYS 37 -1.094 -0.986 2.113 253 1HB CYS 37 1HB CYS 37 1.489 -1.283 0.669 254 2HB CYS 37 2HB CYS 37 1.349 0.069 1.776 255 H PHE 38 H PHE 38 -1.077 1.361 2.535 256 HA PHE 38 HA PHE 38 -1.487 2.903 0.069 257 1HB PHE 38 1HB PHE 38 -3.548 2.590 1.416 258 2HB PHE 38 2HB PHE 38 -2.697 3.000 2.892 259 HD1 PHE 38 HD1 PHE 38 -4.003 4.380 -0.274 260 HD2 PHE 38 HD2 PHE 38 -2.442 5.260 3.573 261 HE1 PHE 38 HE1 PHE 38 -4.689 6.779 -0.545 262 HE2 PHE 38 HE2 PHE 38 -3.127 7.660 3.302 263 HZ PHE 38 HZ PHE 38 -4.242 8.391 1.247 264 H ASP 39 H ASP 39 -1.277 5.414 0.629 265 HA ASP 39 HA ASP 39 0.369 6.205 2.678 266 1HB ASP 39 1HB ASP 39 2.127 4.863 1.577 267 2HB ASP 39 2HB ASP 39 1.818 5.658 0.046 268 H SER 40 H SER 40 0.547 8.537 2.599 269 HA SER 40 HA SER 40 -0.254 9.753 0.086 270 1HB SER 40 1HB SER 40 -1.783 11.291 1.274 271 2HB SER 40 2HB SER 40 -2.284 9.624 1.480 272 HG SER 40 HG SER 40 -2.204 9.994 3.579 273 H ARG 41 H ARG 41 2.249 9.340 1.938 274 HA ARG 41 HA ARG 41 2.888 11.745 3.087 275 1HB ARG 41 1HB ARG 41 4.093 9.297 2.913 276 2HB ARG 41 2HB ARG 41 5.099 10.180 1.782 277 1HG ARG 41 1HG ARG 41 5.234 12.007 3.674 278 2HG ARG 41 2HG ARG 41 4.656 10.737 4.735 279 1HD ARG 41 1HD ARG 41 6.608 9.451 4.501 280 2HD ARG 41 2HD ARG 41 6.972 10.090 2.911 281 HE ARG 41 HE ARG 41 7.098 12.117 5.024 282 1HH1 ARG 41 1HH1 ARG 41 8.895 9.625 3.308 283 2HH1 ARG 41 2HH1 ARG 41 10.443 10.308 3.676 284 1HH2 ARG 41 1HH2 ARG 41 9.141 13.019 5.510 285 2HH2 ARG 41 2HH2 ARG 41 10.584 12.252 4.937 286 H ILE 42 H ILE 42 3.263 10.532 -0.278 287 HA ILE 42 HA ILE 42 3.578 13.247 -1.188 288 HB ILE 42 HB ILE 42 5.604 12.116 -2.612 289 1HG1 ILE 42 1HG1 ILE 42 7.145 11.081 -0.979 290 2HG1 ILE 42 2HG1 ILE 42 5.878 11.095 0.231 291 1HG2 ILE 42 1HG2 ILE 42 5.681 13.791 -0.092 292 2HG2 ILE 42 2HG2 ILE 42 7.098 13.489 -1.126 293 3HG2 ILE 42 3HG2 ILE 42 5.684 14.347 -1.783 294 1HD1 ILE 42 1HD1 ILE 42 5.170 9.855 -2.404 295 2HD1 ILE 42 2HD1 ILE 42 6.329 8.968 -1.385 296 3HD1 ILE 42 3HD1 ILE 42 4.711 9.363 -0.756 297 HA PRO 43 HA PRO 43 1.158 11.343 -4.242 298 1HB PRO 43 1HB PRO 43 0.775 13.510 -5.862 299 2HB PRO 43 2HB PRO 43 -0.186 13.203 -4.430 300 1HG PRO 43 1HG PRO 43 1.970 15.187 -4.825 301 2HG PRO 43 2HG PRO 43 0.732 15.143 -3.586 302 1HD PRO 43 1HD PRO 43 3.490 14.417 -3.282 303 2HD PRO 43 2HD PRO 43 2.227 14.264 -2.077 304 H GLY 44 H GLY 44 4.053 13.093 -5.021 305 1HA GLY 44 1HA GLY 44 5.698 12.557 -6.470 306 2HA GLY 44 2HA GLY 44 4.409 12.546 -7.656 307 H VAL 45 H VAL 45 4.464 10.253 -4.922 308 HA VAL 45 HA VAL 45 5.339 8.153 -6.772 309 HB VAL 45 HB VAL 45 6.332 7.106 -5.035 310 1HG1 VAL 45 1HG1 VAL 45 6.193 9.992 -4.119 311 2HG1 VAL 45 2HG1 VAL 45 7.251 8.773 -3.367 312 3HG1 VAL 45 3HG1 VAL 45 7.467 9.204 -5.081 313 1HG2 VAL 45 1HG2 VAL 45 4.029 8.127 -3.405 314 2HG2 VAL 45 2HG2 VAL 45 4.626 6.464 -3.621 315 3HG2 VAL 45 3HG2 VAL 45 5.513 7.600 -2.575 316 HA PRO 46 HA PRO 46 1.490 6.201 -6.483 317 1HB PRO 46 1HB PRO 46 2.029 3.543 -6.143 318 2HB PRO 46 2HB PRO 46 2.166 4.359 -7.688 319 1HG PRO 46 1HG PRO 46 4.316 3.480 -5.859 320 2HG PRO 46 2HG PRO 46 4.422 3.898 -7.558 321 1HD PRO 46 1HD PRO 46 5.236 5.521 -5.338 322 2HD PRO 46 2HD PRO 46 5.234 5.982 -7.028 323 H TRP 47 H TRP 47 0.597 7.285 -4.706 324 HA TRP 47 HA TRP 47 0.985 6.945 -2.136 325 1HB TRP 47 1HB TRP 47 -1.523 7.209 -3.721 326 2HB TRP 47 2HB TRP 47 -1.673 6.861 -2.010 327 HD1 TRP 47 HD1 TRP 47 1.192 9.148 -3.177 328 HE1 TRP 47 HE1 TRP 47 0.845 11.627 -2.339 329 HE3 TRP 47 HE3 TRP 47 -3.513 8.440 -1.383 330 HZ2 TRP 47 HZ2 TRP 47 -1.310 12.982 -1.049 331 HZ3 TRP 47 HZ3 TRP 47 -4.668 10.393 -0.350 332 HH2 TRP 47 HH2 TRP 47 -3.642 12.604 -0.168 333 H CYS 48 H CYS 48 -1.051 4.659 -4.108 334 HA CYS 48 HA CYS 48 -0.892 2.750 -1.935 335 1HB CYS 48 1HB CYS 48 -3.009 3.340 -3.296 336 2HB CYS 48 2HB CYS 48 -2.320 2.329 -4.551 337 H PHE 49 H PHE 49 0.883 1.415 -1.899 338 HA PHE 49 HA PHE 49 1.827 0.406 -4.478 339 1HB PHE 49 1HB PHE 49 4.168 0.617 -3.328 340 2HB PHE 49 2HB PHE 49 3.434 2.116 -3.863 341 HD1 PHE 49 HD1 PHE 49 3.614 -0.060 -0.835 342 HD2 PHE 49 HD2 PHE 49 3.315 3.882 -2.377 343 HE1 PHE 49 HE1 PHE 49 3.807 0.865 1.491 344 HE2 PHE 49 HE2 PHE 49 3.508 4.807 -0.051 345 HZ PHE 49 HZ PHE 49 3.752 3.287 1.855 346 H LYS 50 H LYS 50 3.257 -1.588 -4.183 347 HA LYS 50 HA LYS 50 1.885 -3.440 -2.583 348 1HB LYS 50 1HB LYS 50 4.601 -3.730 -3.900 349 2HB LYS 50 2HB LYS 50 3.547 -5.027 -3.375 350 1HG LYS 50 1HG LYS 50 1.756 -3.945 -4.952 351 2HG LYS 50 2HG LYS 50 3.098 -3.054 -5.644 352 1HD LYS 50 1HD LYS 50 3.062 -4.946 -7.023 353 2HD LYS 50 2HD LYS 50 4.253 -5.426 -5.831 354 1HE LYS 50 1HE LYS 50 2.791 -6.924 -4.757 355 2HE LYS 50 2HE LYS 50 1.354 -6.062 -5.273 356 1HZ LYS 50 1HZ LYS 50 2.919 -7.105 -7.424 357 2HZ LYS 50 2HZ LYS 50 2.303 -8.255 -6.442 358 3HZ LYS 50 3HZ LYS 50 1.307 -7.186 -7.173 359 HA PRO 51 HA PRO 51 4.032 -3.260 1.156 360 1HB PRO 51 1HB PRO 51 4.085 -5.859 1.999 361 2HB PRO 51 2HB PRO 51 2.670 -4.835 2.137 362 1HG PRO 51 1HG PRO 51 3.192 -7.029 0.225 363 2HG PRO 51 2HG PRO 51 1.662 -6.292 0.660 364 1HD PRO 51 1HD PRO 51 3.163 -5.840 -1.742 365 2HD PRO 51 2HD PRO 51 1.694 -5.019 -1.254 366 H LEU 52 H LEU 52 6.054 -2.706 1.639 367 HA LEU 52 HA LEU 52 8.171 -3.239 0.122 368 1HB LEU 52 1HB LEU 52 8.457 -1.705 1.824 369 2HB LEU 52 2HB LEU 52 7.882 -2.800 3.066 370 HG LEU 52 HG LEU 52 10.499 -3.219 1.607 371 1HD1 LEU 52 1HD1 LEU 52 9.825 -1.344 3.796 372 2HD1 LEU 52 2HD1 LEU 52 11.279 -2.340 4.040 373 3HD1 LEU 52 3HD1 LEU 52 11.143 -1.302 2.601 374 1HD2 LEU 52 1HD2 LEU 52 8.997 -4.765 3.497 375 2HD2 LEU 52 2HD2 LEU 52 10.548 -5.141 2.709 376 3HD2 LEU 52 3HD2 LEU 52 10.525 -4.244 4.246 377 H GLN 53 H GLN 53 9.515 -4.910 -0.413 378 HA GLN 53 HA GLN 53 8.675 -7.488 0.240 379 1HB GLN 53 1HB GLN 53 10.709 -8.204 -1.012 380 2HB GLN 53 2HB GLN 53 9.783 -6.998 -1.883 381 1HG GLN 53 1HG GLN 53 11.766 -5.749 -0.105 382 2HG GLN 53 2HG GLN 53 12.525 -6.862 -1.226 383 2HE2 GLN 53 2HE2 GLN 53 11.203 -3.802 -0.767 384 1HE2 GLN 53 1HE2 GLN 53 11.170 -3.236 -2.404 385 H GLU 54 H GLU 54 8.679 -7.184 2.673 386 HA GLU 54 HA GLU 54 10.845 -6.683 4.179 387 1HB GLU 54 1HB GLU 54 9.711 -7.790 5.970 388 2HB GLU 54 2HB GLU 54 8.450 -7.174 4.921 389 1HG GLU 54 1HG GLU 54 7.659 -9.333 5.119 390 2HG GLU 54 2HG GLU 54 8.745 -9.605 3.770 391 H ALA 55 H ALA 55 12.891 -7.499 4.084 392 HA ALA 55 HA ALA 55 13.159 -10.404 3.930 393 1HB ALA 55 1HB ALA 55 13.712 -10.127 1.736 394 2HB ALA 55 2HB ALA 55 15.273 -9.595 2.406 395 3HB ALA 55 3HB ALA 55 14.051 -8.391 1.934 396 H GLU 56 H GLU 56 14.386 -11.081 5.612 397 HA GLU 56 HA GLU 56 15.891 -11.124 7.179 398 1HB GLU 56 1HB GLU 56 17.308 -10.049 5.163 399 2HB GLU 56 2HB GLU 56 17.354 -8.667 6.239 400 1HG GLU 56 1HG GLU 56 19.128 -9.701 7.228 401 2HG GLU 56 2HG GLU 56 17.940 -10.742 7.986 402 H CYS 57 H CYS 57 15.628 -7.554 6.497 403 HA CYS 57 HA CYS 57 14.241 -7.245 9.016 404 1HB CYS 57 1HB CYS 57 16.764 -7.080 9.410 405 2HB CYS 57 2HB CYS 57 16.705 -5.589 8.491 406 H THR 58 H THR 58 16.014 -5.317 6.475 407 HA THR 58 HA THR 58 13.458 -4.170 5.653 408 HB THR 58 HB THR 58 14.232 -2.587 7.341 409 HG1 THR 58 HG1 THR 58 13.553 -1.638 5.315 410 1HG2 THR 58 1HG2 THR 58 16.692 -3.364 7.283 411 2HG2 THR 58 2HG2 THR 58 16.862 -2.411 5.790 412 3HG2 THR 58 3HG2 THR 58 16.453 -1.601 7.321 413 H PHE 59 H PHE 59 17.021 -4.420 5.127 414 HA PHE 59 HA PHE 59 16.452 -4.915 2.334 415 1HB PHE 59 1HB PHE 59 16.771 -2.375 2.774 416 2HB PHE 59 2HB PHE 59 18.390 -2.745 3.334 417 HD1 PHE 59 HD1 PHE 59 16.243 -3.453 0.355 418 HD2 PHE 59 HD2 PHE 59 20.098 -2.459 1.822 419 HE1 PHE 59 HE1 PHE 59 17.096 -3.286 -2.000 420 HE2 PHE 59 HE2 PHE 59 20.951 -2.292 -0.533 421 HZ PHE 59 HZ PHE 59 19.440 -2.707 -2.416 No H/Q in entry = 421 Start of MODEL 3 1 H GLU 1 H GLU 1 6.888 -14.073 12.583 2 HA GLU 1 HA GLU 1 6.256 -14.902 14.806 3 1HB GLU 1 1HB GLU 1 8.594 -13.848 14.038 4 2HB GLU 1 2HB GLU 1 8.177 -12.614 15.211 5 1HG GLU 1 1HG GLU 1 7.853 -14.395 16.952 6 2HG GLU 1 2HG GLU 1 8.303 -15.615 15.777 7 H GLU 2 H GLU 2 6.659 -11.280 14.821 8 HA GLU 2 HA GLU 2 4.257 -11.167 16.445 9 1HB GLU 2 1HB GLU 2 6.776 -10.947 17.588 10 2HB GLU 2 2HB GLU 2 6.371 -9.268 17.291 11 1HG GLU 2 1HG GLU 2 4.114 -10.826 18.416 12 2HG GLU 2 2HG GLU 2 5.512 -10.781 19.472 13 H TYR 3 H TYR 3 4.142 -10.652 13.787 14 HA TYR 3 HA TYR 3 3.385 -7.934 13.714 15 1HB TYR 3 1HB TYR 3 5.560 -7.201 13.215 16 2HB TYR 3 2HB TYR 3 6.108 -8.829 12.867 17 HD1 TYR 3 HD1 TYR 3 3.434 -6.762 11.237 18 HD2 TYR 3 HD2 TYR 3 7.197 -8.753 10.808 19 HE1 TYR 3 HE1 TYR 3 3.438 -6.234 8.750 20 HE2 TYR 3 HE2 TYR 3 7.188 -8.218 8.322 21 HH TYR 3 HH TYR 3 5.810 -6.072 6.948 22 H VAL 4 H VAL 4 1.506 -8.194 12.613 23 HA VAL 4 HA VAL 4 1.451 -8.880 9.939 24 HB VAL 4 HB VAL 4 1.996 -11.114 10.463 25 1HG1 VAL 4 1HG1 VAL 4 1.238 -10.737 12.959 26 2HG1 VAL 4 2HG1 VAL 4 -0.280 -11.470 12.388 27 3HG1 VAL 4 3HG1 VAL 4 1.249 -12.370 12.251 28 1HG2 VAL 4 1HG2 VAL 4 -0.051 -10.613 8.954 29 2HG2 VAL 4 2HG2 VAL 4 0.213 -12.286 9.504 30 3HG2 VAL 4 3HG2 VAL 4 -1.013 -11.270 10.300 31 H GLY 5 H GLY 5 0.008 -7.227 9.635 32 1HA GLY 5 1HA GLY 5 -2.323 -7.057 11.398 33 2HA GLY 5 2HA GLY 5 -2.608 -7.375 9.699 34 H LEU 6 H LEU 6 -1.723 -4.981 12.104 35 HA LEU 6 HA LEU 6 -2.526 -2.807 10.773 36 1HB LEU 6 1HB LEU 6 -1.369 -1.520 12.326 37 2HB LEU 6 2HB LEU 6 -1.729 -3.025 13.148 38 HG LEU 6 HG LEU 6 0.703 -3.690 12.358 39 1HD1 LEU 6 1HD1 LEU 6 0.544 -0.866 11.667 40 2HD1 LEU 6 2HD1 LEU 6 1.877 -1.211 12.796 41 3HD1 LEU 6 3HD1 LEU 6 1.772 -2.084 11.248 42 1HD2 LEU 6 1HD2 LEU 6 -0.311 -2.230 14.720 43 2HD2 LEU 6 2HD2 LEU 6 0.571 -3.772 14.603 44 3HD2 LEU 6 3HD2 LEU 6 1.457 -2.231 14.511 45 H SER 7 H SER 7 -1.597 -1.165 9.433 46 HA SER 7 HA SER 7 0.367 -2.289 7.657 47 1HB SER 7 1HB SER 7 -0.172 0.008 6.444 48 2HB SER 7 2HB SER 7 -1.313 -1.320 6.379 49 HG SER 7 HG SER 7 -2.731 -0.008 7.282 50 H ALA 8 H ALA 8 2.481 -1.506 7.402 51 HA ALA 8 HA ALA 8 3.463 0.939 7.971 52 1HB ALA 8 1HB ALA 8 2.720 -0.419 10.422 53 2HB ALA 8 2HB ALA 8 4.480 -0.155 10.377 54 3HB ALA 8 3HB ALA 8 3.368 1.223 10.198 55 H ASN 9 H ASN 9 4.524 -2.226 9.403 56 HA ASN 9 HA ASN 9 7.075 -2.065 8.504 57 1HB ASN 9 1HB ASN 9 5.278 -4.152 9.546 58 2HB ASN 9 2HB ASN 9 6.412 -4.828 8.394 59 2HD2 ASN 9 2HD2 ASN 9 7.578 -5.948 9.890 60 1HD2 ASN 9 1HD2 ASN 9 8.624 -5.216 11.060 61 H GLN 10 H GLN 10 4.093 -3.289 6.902 62 HA GLN 10 HA GLN 10 5.524 -4.320 4.675 63 1HB GLN 10 1HB GLN 10 2.586 -3.743 4.488 64 2HB GLN 10 2HB GLN 10 3.478 -5.161 3.972 65 1HG GLN 10 1HG GLN 10 2.580 -6.130 5.843 66 2HG GLN 10 2HG GLN 10 3.883 -5.311 6.682 67 2HE2 GLN 10 2HE2 GLN 10 0.502 -5.202 5.777 68 1HE2 GLN 10 1HE2 GLN 10 -0.034 -4.063 6.967 69 H CYS 11 H CYS 11 3.879 -1.289 5.574 70 HA CYS 11 HA CYS 11 4.403 -0.281 2.879 71 1HB CYS 11 1HB CYS 11 2.809 1.382 4.713 72 2HB CYS 11 2HB CYS 11 2.582 1.030 3.011 73 H ALA 12 H ALA 12 6.608 -0.687 4.608 74 HA ALA 12 HA ALA 12 7.122 1.952 5.762 75 1HB ALA 12 1HB ALA 12 9.187 0.611 6.640 76 2HB ALA 12 2HB ALA 12 7.589 0.293 7.355 77 3HB ALA 12 3HB ALA 12 8.259 -0.823 6.141 78 H VAL 13 H VAL 13 6.959 1.738 2.905 79 HA VAL 13 HA VAL 13 9.731 1.618 2.032 80 HB VAL 13 HB VAL 13 7.687 2.389 0.090 81 1HG1 VAL 13 1HG1 VAL 13 10.085 0.725 0.300 82 2HG1 VAL 13 2HG1 VAL 13 8.795 -0.044 -0.655 83 3HG1 VAL 13 3HG1 VAL 13 9.396 1.570 -1.107 84 1HG2 VAL 13 1HG2 VAL 13 7.297 -0.076 1.780 85 2HG2 VAL 13 2HG2 VAL 13 6.097 1.114 1.224 86 3HG2 VAL 13 3HG2 VAL 13 6.792 -0.053 0.073 87 HA PRO 14 HA PRO 14 10.175 5.915 2.067 88 1HB PRO 14 1HB PRO 14 12.118 6.282 0.180 89 2HB PRO 14 2HB PRO 14 12.459 5.758 1.818 90 1HG PRO 14 1HG PRO 14 12.457 4.168 -0.675 91 2HG PRO 14 2HG PRO 14 13.190 3.786 0.870 92 1HD PRO 14 1HD PRO 14 10.760 2.695 -0.192 93 2HD PRO 14 2HD PRO 14 11.432 2.402 1.399 94 H ALA 15 H ALA 15 10.280 4.848 -1.307 95 HA ALA 15 HA ALA 15 7.933 5.742 -2.174 96 1HB ALA 15 1HB ALA 15 9.605 8.035 -1.374 97 2HB ALA 15 2HB ALA 15 7.855 7.950 -1.684 98 3HB ALA 15 3HB ALA 15 8.990 8.149 -3.040 99 H LYS 16 H LYS 16 11.412 5.473 -2.550 100 HA LYS 16 HA LYS 16 11.172 5.425 -5.450 101 1HB LYS 16 1HB LYS 16 13.598 5.398 -5.452 102 2HB LYS 16 2HB LYS 16 13.008 6.705 -4.446 103 1HG LYS 16 1HG LYS 16 14.489 5.855 -2.912 104 2HG LYS 16 2HG LYS 16 13.182 4.743 -2.555 105 1HD LYS 16 1HD LYS 16 15.128 3.374 -2.888 106 2HD LYS 16 2HD LYS 16 14.153 3.172 -4.330 107 1HE LYS 16 1HE LYS 16 15.796 5.428 -4.866 108 2HE LYS 16 2HE LYS 16 16.851 4.278 -4.070 109 1HZ LYS 16 1HZ LYS 16 15.100 3.215 -6.101 110 2HZ LYS 16 2HZ LYS 16 16.316 4.172 -6.624 111 3HZ LYS 16 3HZ LYS 16 16.649 2.830 -5.755 112 H ASP 17 H ASP 17 10.333 3.364 -3.087 113 HA ASP 17 HA ASP 17 11.386 1.086 -4.572 114 1HB ASP 17 1HB ASP 17 11.360 1.691 -1.703 115 2HB ASP 17 2HB ASP 17 10.513 0.190 -2.021 116 H ARG 18 H ARG 18 8.785 2.966 -4.418 117 HA ARG 18 HA ARG 18 6.771 1.161 -3.610 118 1HB ARG 18 1HB ARG 18 6.373 3.607 -5.388 119 2HB ARG 18 2HB ARG 18 5.223 2.902 -4.270 120 1HG ARG 18 1HG ARG 18 7.853 4.240 -3.474 121 2HG ARG 18 2HG ARG 18 6.269 4.981 -3.357 122 1HD ARG 18 1HD ARG 18 5.589 2.989 -1.854 123 2HD ARG 18 2HD ARG 18 7.286 2.553 -1.815 124 HE ARG 18 HE ARG 18 7.610 4.256 -0.262 125 1HH1 ARG 18 1HH1 ARG 18 4.805 5.067 -2.226 126 2HH1 ARG 18 2HH1 ARG 18 4.449 6.517 -1.348 127 1HH2 ARG 18 1HH2 ARG 18 7.142 6.169 0.897 128 2HH2 ARG 18 2HH2 ARG 18 5.788 7.148 0.441 129 H VAL 19 H VAL 19 6.061 -0.570 -4.817 130 HA VAL 19 HA VAL 19 6.778 -0.709 -7.602 131 HB VAL 19 HB VAL 19 5.305 -2.601 -5.758 132 1HG1 VAL 19 1HG1 VAL 19 6.218 -2.880 -8.626 133 2HG1 VAL 19 2HG1 VAL 19 5.980 -4.293 -7.570 134 3HG1 VAL 19 3HG1 VAL 19 4.615 -3.208 -7.926 135 1HG2 VAL 19 1HG2 VAL 19 8.197 -2.260 -6.518 136 2HG2 VAL 19 2HG2 VAL 19 7.469 -2.537 -4.918 137 3HG2 VAL 19 3HG2 VAL 19 7.568 -3.870 -6.093 138 H ASP 20 H ASP 20 4.260 0.676 -5.791 139 HA ASP 20 HA ASP 20 2.317 1.489 -6.298 140 1HB ASP 20 1HB ASP 20 3.230 2.589 -8.208 141 2HB ASP 20 2HB ASP 20 3.432 1.088 -9.089 142 H CYS 21 H CYS 21 0.466 0.293 -5.831 143 HA CYS 21 HA CYS 21 0.227 -2.353 -6.928 144 1HB CYS 21 1HB CYS 21 -0.391 -1.323 -4.513 145 2HB CYS 21 2HB CYS 21 -1.957 -1.190 -5.290 146 H GLY 22 H GLY 22 -0.892 0.926 -7.511 147 1HA GLY 22 1HA GLY 22 -2.180 0.197 -9.935 148 2HA GLY 22 2HA GLY 22 -2.127 1.783 -9.190 149 H TYR 23 H TYR 23 -3.793 2.453 -7.720 150 HA TYR 23 HA TYR 23 -6.212 0.825 -7.972 151 1HB TYR 23 1HB TYR 23 -4.660 1.784 -5.542 152 2HB TYR 23 2HB TYR 23 -6.407 1.865 -5.428 153 HD1 TYR 23 HD1 TYR 23 -7.675 -0.376 -6.124 154 HD2 TYR 23 HD2 TYR 23 -3.590 -0.170 -4.869 155 HE1 TYR 23 HE1 TYR 23 -7.742 -2.834 -5.479 156 HE2 TYR 23 HE2 TYR 23 -3.671 -2.628 -4.228 157 HH TYR 23 HH TYR 23 -4.980 -4.621 -4.903 158 HA PRO 24 HA PRO 24 -7.968 4.704 -8.748 159 1HB PRO 24 1HB PRO 24 -10.617 4.153 -8.364 160 2HB PRO 24 2HB PRO 24 -9.759 3.753 -9.838 161 1HG PRO 24 1HG PRO 24 -10.622 1.960 -7.652 162 2HG PRO 24 2HG PRO 24 -10.159 1.548 -9.291 163 1HD PRO 24 1HD PRO 24 -8.571 1.222 -6.925 164 2HD PRO 24 2HD PRO 24 -8.066 0.919 -8.575 165 H HIS 25 H HIS 25 -10.120 3.539 -6.218 166 HA HIS 25 HA HIS 25 -9.729 6.077 -4.897 167 1HB HIS 25 1HB HIS 25 -11.628 5.472 -3.561 168 2HB HIS 25 2HB HIS 25 -11.993 5.154 -5.245 169 HD1 HIS 25 HD1 HIS 25 -13.729 3.699 -3.305 170 HD2 HIS 25 HD2 HIS 25 -10.042 2.148 -4.568 171 HE1 HIS 25 HE1 HIS 25 -13.838 1.181 -2.907 172 HE2 HIS 25 HE2 HIS 25 -11.566 0.276 -3.753 173 H VAL 26 H VAL 26 -7.503 5.822 -4.231 174 HA VAL 26 HA VAL 26 -7.007 3.658 -2.346 175 HB VAL 26 HB VAL 26 -4.669 4.491 -2.484 176 1HG1 VAL 26 1HG1 VAL 26 -6.017 3.802 -5.117 177 2HG1 VAL 26 2HG1 VAL 26 -4.268 3.702 -4.800 178 3HG1 VAL 26 3HG1 VAL 26 -5.396 2.656 -3.905 179 1HG2 VAL 26 1HG2 VAL 26 -5.876 6.790 -3.571 180 2HG2 VAL 26 2HG2 VAL 26 -4.137 6.458 -3.392 181 3HG2 VAL 26 3HG2 VAL 26 -4.972 6.042 -4.909 182 H THR 27 H THR 27 -6.712 3.966 -0.150 183 HA THR 27 HA THR 27 -6.450 6.650 0.883 184 HB THR 27 HB THR 27 -8.566 6.782 1.928 185 HG1 THR 27 HG1 THR 27 -9.777 4.713 2.203 186 1HG2 THR 27 1HG2 THR 27 -9.067 5.055 -0.554 187 2HG2 THR 27 2HG2 THR 27 -10.334 5.926 0.343 188 3HG2 THR 27 3HG2 THR 27 -9.057 6.834 -0.502 189 HA PRO 28 HA PRO 28 -4.504 4.579 4.101 190 1HB PRO 28 1HB PRO 28 -5.126 6.004 6.349 191 2HB PRO 28 2HB PRO 28 -3.927 6.528 5.183 192 1HG PRO 28 1HG PRO 28 -6.668 7.549 5.609 193 2HG PRO 28 2HG PRO 28 -5.331 8.311 4.771 194 1HD PRO 28 1HD PRO 28 -7.596 7.022 3.573 195 2HD PRO 28 2HD PRO 28 -6.203 7.681 2.739 196 H LYS 29 H LYS 29 -6.898 3.326 3.310 197 HA LYS 29 HA LYS 29 -7.152 1.529 5.413 198 1HB LYS 29 1HB LYS 29 -8.360 3.682 6.310 199 2HB LYS 29 2HB LYS 29 -9.661 3.176 5.252 200 1HG LYS 29 1HG LYS 29 -8.365 1.294 7.272 201 2HG LYS 29 2HG LYS 29 -9.751 2.290 7.667 202 1HD LYS 29 1HD LYS 29 -10.707 1.186 5.386 203 2HD LYS 29 2HD LYS 29 -9.576 -0.080 5.820 204 1HE LYS 29 1HE LYS 29 -10.902 -0.818 7.520 205 2HE LYS 29 2HE LYS 29 -11.103 0.799 8.167 206 1HZ LYS 29 1HZ LYS 29 -12.721 1.159 6.338 207 2HZ LYS 29 2HZ LYS 29 -12.639 -0.435 5.995 208 3HZ LYS 29 3HZ LYS 29 -13.191 0.060 7.450 209 H GLU 30 H GLU 30 -8.687 3.182 2.614 210 HA GLU 30 HA GLU 30 -10.070 0.813 1.870 211 1HB GLU 30 1HB GLU 30 -11.009 3.031 1.367 212 2HB GLU 30 2HB GLU 30 -9.604 3.447 0.406 213 1HG GLU 30 1HG GLU 30 -10.364 2.299 -1.416 214 2HG GLU 30 2HG GLU 30 -10.810 0.900 -0.460 215 H CYS 31 H CYS 31 -7.032 2.494 0.992 216 HA CYS 31 HA CYS 31 -6.535 0.839 -1.259 217 1HB CYS 31 1HB CYS 31 -5.472 2.852 -1.464 218 2HB CYS 31 2HB CYS 31 -5.060 2.950 0.237 219 H ASN 32 H ASN 32 -5.995 0.740 2.245 220 HA ASN 32 HA ASN 32 -4.133 -1.440 1.957 221 1HB ASN 32 1HB ASN 32 -3.698 -1.163 4.298 222 2HB ASN 32 2HB ASN 32 -3.949 0.471 3.715 223 2HD2 ASN 32 2HD2 ASN 32 -4.356 0.811 6.027 224 1HD2 ASN 32 1HD2 ASN 32 -5.960 0.605 6.646 225 H ASN 33 H ASN 33 -7.398 -1.097 1.686 226 HA ASN 33 HA ASN 33 -8.033 -3.390 3.350 227 1HB ASN 33 1HB ASN 33 -9.597 -1.602 3.730 228 2HB ASN 33 2HB ASN 33 -9.698 -1.210 2.025 229 2HD2 ASN 33 2HD2 ASN 33 -11.077 -2.857 4.596 230 1HD2 ASN 33 1HD2 ASN 33 -12.226 -3.842 3.753 231 H ARG 34 H ARG 34 -8.199 -2.009 0.012 232 HA ARG 34 HA ARG 34 -9.565 -4.035 -1.196 233 1HB ARG 34 1HB ARG 34 -8.474 -1.685 -2.034 234 2HB ARG 34 2HB ARG 34 -7.280 -2.779 -2.705 235 1HG ARG 34 1HG ARG 34 -10.290 -3.019 -3.174 236 2HG ARG 34 2HG ARG 34 -9.174 -2.260 -4.292 237 1HD ARG 34 1HD ARG 34 -7.864 -4.582 -4.088 238 2HD ARG 34 2HD ARG 34 -9.420 -5.185 -3.555 239 HE ARG 34 HE ARG 34 -8.719 -4.323 -6.261 240 1HH1 ARG 34 1HH1 ARG 34 -11.373 -4.805 -4.001 241 2HH1 ARG 34 2HH1 ARG 34 -12.568 -4.980 -5.243 242 1HH2 ARG 34 1HH2 ARG 34 -10.295 -4.554 -7.900 243 2HH2 ARG 34 2HH2 ARG 34 -11.950 -4.836 -7.475 244 H GLY 35 H GLY 35 -6.191 -3.836 -0.107 245 1HA GLY 35 1HA GLY 35 -5.670 -6.494 -1.301 246 2HA GLY 35 2HA GLY 35 -5.254 -6.087 0.352 247 H CYS 36 H CYS 36 -3.752 -4.145 0.677 248 HA CYS 36 HA CYS 36 -1.396 -4.528 -0.603 249 1HB CYS 36 1HB CYS 36 -3.131 -3.206 -2.382 250 2HB CYS 36 2HB CYS 36 -2.031 -1.974 -1.795 251 H CYS 37 H CYS 37 -0.481 -1.726 -0.679 252 HA CYS 37 HA CYS 37 -1.028 -0.991 2.106 253 1HB CYS 37 1HB CYS 37 1.536 -1.260 0.619 254 2HB CYS 37 2HB CYS 37 1.398 0.078 1.742 255 H PHE 38 H PHE 38 -0.998 1.363 2.521 256 HA PHE 38 HA PHE 38 -1.446 2.898 0.058 257 1HB PHE 38 1HB PHE 38 -3.510 2.568 1.388 258 2HB PHE 38 2HB PHE 38 -2.670 2.961 2.875 259 HD1 PHE 38 HD1 PHE 38 -3.948 4.385 -0.286 260 HD2 PHE 38 HD2 PHE 38 -2.446 5.210 3.596 261 HE1 PHE 38 HE1 PHE 38 -4.645 6.784 -0.527 262 HE2 PHE 38 HE2 PHE 38 -3.143 7.609 3.356 263 HZ PHE 38 HZ PHE 38 -4.234 8.368 1.297 264 H ASP 39 H ASP 39 -1.252 5.405 0.602 265 HA ASP 39 HA ASP 39 0.387 6.201 2.666 266 1HB ASP 39 1HB ASP 39 2.159 4.905 1.543 267 2HB ASP 39 2HB ASP 39 1.817 5.695 0.017 268 H SER 40 H SER 40 0.639 8.550 2.566 269 HA SER 40 HA SER 40 -0.221 9.781 0.089 270 1HB SER 40 1HB SER 40 -1.776 11.286 1.295 271 2HB SER 40 2HB SER 40 -2.263 9.610 1.449 272 HG SER 40 HG SER 40 -2.400 10.479 3.515 273 H ARG 41 H ARG 41 2.281 9.381 1.931 274 HA ARG 41 HA ARG 41 2.852 11.824 3.087 275 1HB ARG 41 1HB ARG 41 4.056 9.387 3.085 276 2HB ARG 41 2HB ARG 41 5.092 10.182 1.916 277 1HG ARG 41 1HG ARG 41 4.520 11.821 4.332 278 2HG ARG 41 2HG ARG 41 5.389 10.337 4.670 279 1HD ARG 41 1HD ARG 41 6.954 11.028 2.685 280 2HD ARG 41 2HD ARG 41 6.224 12.614 2.830 281 HE ARG 41 HE ARG 41 7.059 11.712 5.432 282 1HH1 ARG 41 1HH1 ARG 41 8.379 12.895 2.392 283 2HH1 ARG 41 2HH1 ARG 41 9.806 13.554 3.120 284 1HH2 ARG 41 1HH2 ARG 41 8.941 12.582 6.393 285 2HH2 ARG 41 2HH2 ARG 41 10.127 13.375 5.412 286 H ILE 42 H ILE 42 3.181 10.566 -0.239 287 HA ILE 42 HA ILE 42 3.633 13.236 -1.194 288 HB ILE 42 HB ILE 42 5.640 12.016 -2.570 289 1HG1 ILE 42 1HG1 ILE 42 7.131 10.976 -0.883 290 2HG1 ILE 42 2HG1 ILE 42 5.832 11.030 0.292 291 1HG2 ILE 42 1HG2 ILE 42 5.358 14.054 -0.504 292 2HG2 ILE 42 2HG2 ILE 42 6.957 13.272 -0.479 293 3HG2 ILE 42 3HG2 ILE 42 6.363 14.037 -1.973 294 1HD1 ILE 42 1HD1 ILE 42 5.310 9.735 -2.389 295 2HD1 ILE 42 2HD1 ILE 42 6.226 8.842 -1.151 296 3HD1 ILE 42 3HD1 ILE 42 4.567 9.390 -0.809 297 HA PRO 43 HA PRO 43 1.173 11.320 -4.214 298 1HB PRO 43 1HB PRO 43 0.783 13.489 -5.831 299 2HB PRO 43 2HB PRO 43 -0.173 13.179 -4.395 300 1HG PRO 43 1HG PRO 43 1.979 15.166 -4.796 301 2HG PRO 43 2HG PRO 43 0.746 15.119 -3.552 302 1HD PRO 43 1HD PRO 43 3.506 14.396 -3.260 303 2HD PRO 43 2HD PRO 43 2.248 14.240 -2.050 304 H GLY 44 H GLY 44 4.042 13.108 -5.031 305 1HA GLY 44 1HA GLY 44 5.688 12.568 -6.479 306 2HA GLY 44 2HA GLY 44 4.392 12.551 -7.658 307 H VAL 45 H VAL 45 4.437 10.255 -4.933 308 HA VAL 45 HA VAL 45 5.332 8.161 -6.782 309 HB VAL 45 HB VAL 45 6.325 7.115 -5.046 310 1HG1 VAL 45 1HG1 VAL 45 6.179 10.007 -4.160 311 2HG1 VAL 45 2HG1 VAL 45 7.207 8.799 -3.353 312 3HG1 VAL 45 3HG1 VAL 45 7.475 9.192 -5.068 313 1HG2 VAL 45 1HG2 VAL 45 4.005 8.110 -3.430 314 2HG2 VAL 45 2HG2 VAL 45 4.637 6.458 -3.627 315 3HG2 VAL 45 3HG2 VAL 45 5.492 7.620 -2.584 316 HA PRO 46 HA PRO 46 1.488 6.194 -6.501 317 1HB PRO 46 1HB PRO 46 2.034 3.539 -6.152 318 2HB PRO 46 2HB PRO 46 2.174 4.351 -7.698 319 1HG PRO 46 1HG PRO 46 4.320 3.484 -5.859 320 2HG PRO 46 2HG PRO 46 4.431 3.897 -7.559 321 1HD PRO 46 1HD PRO 46 5.233 5.528 -5.340 322 2HD PRO 46 2HD PRO 46 5.236 5.985 -7.031 323 H TRP 47 H TRP 47 0.611 7.296 -4.719 324 HA TRP 47 HA TRP 47 0.985 6.956 -2.150 325 1HB TRP 47 1HB TRP 47 -1.513 7.229 -3.746 326 2HB TRP 47 2HB TRP 47 -1.679 6.866 -2.039 327 HD1 TRP 47 HD1 TRP 47 1.188 9.168 -3.187 328 HE1 TRP 47 HE1 TRP 47 0.840 11.636 -2.321 329 HE3 TRP 47 HE3 TRP 47 -3.507 8.432 -1.379 330 HZ2 TRP 47 HZ2 TRP 47 -1.311 12.974 -1.007 331 HZ3 TRP 47 HZ3 TRP 47 -4.661 10.371 -0.320 332 HH2 TRP 47 HH2 TRP 47 -3.639 12.582 -0.119 333 H CYS 48 H CYS 48 -1.050 4.668 -4.122 334 HA CYS 48 HA CYS 48 -0.895 2.762 -1.946 335 1HB CYS 48 1HB CYS 48 -3.011 3.350 -3.305 336 2HB CYS 48 2HB CYS 48 -2.322 2.343 -4.562 337 H PHE 49 H PHE 49 0.907 1.461 -1.905 338 HA PHE 49 HA PHE 49 1.841 0.433 -4.483 339 1HB PHE 49 1HB PHE 49 4.182 0.651 -3.334 340 2HB PHE 49 2HB PHE 49 3.445 2.147 -3.871 341 HD1 PHE 49 HD1 PHE 49 3.627 -0.022 -0.839 342 HD2 PHE 49 HD2 PHE 49 3.327 3.916 -2.390 343 HE1 PHE 49 HE1 PHE 49 3.819 0.907 1.485 344 HE2 PHE 49 HE2 PHE 49 3.519 4.846 -0.066 345 HZ PHE 49 HZ PHE 49 3.763 3.330 1.844 346 H LYS 50 H LYS 50 3.266 -1.561 -4.188 347 HA LYS 50 HA LYS 50 1.902 -3.404 -2.569 348 1HB LYS 50 1HB LYS 50 4.598 -3.706 -3.923 349 2HB LYS 50 2HB LYS 50 3.551 -5.000 -3.375 350 1HG LYS 50 1HG LYS 50 1.741 -3.854 -4.931 351 2HG LYS 50 2HG LYS 50 3.121 -3.074 -5.678 352 1HD LYS 50 1HD LYS 50 2.902 -5.023 -6.978 353 2HD LYS 50 2HD LYS 50 4.138 -5.492 -5.828 354 1HE LYS 50 1HE LYS 50 2.669 -6.863 -4.589 355 2HE LYS 50 2HE LYS 50 1.241 -5.994 -5.117 356 1HZ LYS 50 1HZ LYS 50 2.902 -7.635 -6.900 357 2HZ LYS 50 2HZ LYS 50 1.532 -8.159 -6.182 358 3HZ LYS 50 3HZ LYS 50 1.470 -6.941 -7.268 359 HA PRO 51 HA PRO 51 4.094 -3.216 1.142 360 1HB PRO 51 1HB PRO 51 4.134 -5.810 2.000 361 2HB PRO 51 2HB PRO 51 2.730 -4.774 2.150 362 1HG PRO 51 1HG PRO 51 3.208 -6.983 0.244 363 2HG PRO 51 2HG PRO 51 1.691 -6.230 0.693 364 1HD PRO 51 1HD PRO 51 3.166 -5.805 -1.730 365 2HD PRO 51 2HD PRO 51 1.711 -4.968 -1.228 366 H LEU 52 H LEU 52 6.127 -2.661 1.570 367 HA LEU 52 HA LEU 52 8.216 -3.245 0.032 368 1HB LEU 52 1HB LEU 52 8.508 -1.668 1.709 369 2HB LEU 52 2HB LEU 52 7.996 -2.761 2.980 370 HG LEU 52 HG LEU 52 10.570 -3.130 1.432 371 1HD1 LEU 52 1HD1 LEU 52 10.104 -0.952 2.989 372 2HD1 LEU 52 2HD1 LEU 52 10.736 -2.101 4.193 373 3HD1 LEU 52 3HD1 LEU 52 11.700 -1.703 2.751 374 1HD2 LEU 52 1HD2 LEU 52 9.163 -4.744 3.318 375 2HD2 LEU 52 2HD2 LEU 52 10.729 -5.048 2.528 376 3HD2 LEU 52 3HD2 LEU 52 10.668 -4.172 4.076 377 H GLN 53 H GLN 53 9.697 -4.886 -0.342 378 HA GLN 53 HA GLN 53 8.821 -7.461 0.118 379 1HB GLN 53 1HB GLN 53 11.228 -8.059 -0.609 380 2HB GLN 53 2HB GLN 53 10.258 -7.133 -1.736 381 1HG GLN 53 1HG GLN 53 11.834 -5.510 0.219 382 2HG GLN 53 2HG GLN 53 12.788 -6.418 -0.937 383 2HE2 GLN 53 2HE2 GLN 53 11.441 -3.533 -0.376 384 1HE2 GLN 53 1HE2 GLN 53 11.151 -2.949 -1.981 385 H GLU 54 H GLU 54 8.364 -7.539 2.442 386 HA GLU 54 HA GLU 54 10.212 -7.009 4.384 387 1HB GLU 54 1HB GLU 54 8.823 -8.573 5.805 388 2HB GLU 54 2HB GLU 54 7.893 -7.356 4.955 389 1HG GLU 54 1HG GLU 54 8.230 -9.764 3.308 390 2HG GLU 54 2HG GLU 54 7.508 -10.156 4.856 391 H ALA 55 H ALA 55 12.316 -7.763 4.141 392 HA ALA 55 HA ALA 55 12.587 -10.685 3.935 393 1HB ALA 55 1HB ALA 55 14.825 -10.147 2.890 394 2HB ALA 55 2HB ALA 55 13.419 -9.657 1.916 395 3HB ALA 55 3HB ALA 55 14.326 -8.440 2.845 396 H GLU 56 H GLU 56 15.274 -10.911 4.634 397 HA GLU 56 HA GLU 56 15.269 -11.139 7.257 398 1HB GLU 56 1HB GLU 56 17.530 -10.399 5.379 399 2HB GLU 56 2HB GLU 56 17.843 -10.629 7.088 400 1HG GLU 56 1HG GLU 56 18.115 -12.827 6.481 401 2HG GLU 56 2HG GLU 56 16.368 -12.875 6.610 402 H CYS 57 H CYS 57 15.175 -9.856 9.064 403 HA CYS 57 HA CYS 57 14.705 -7.144 8.837 404 1HB CYS 57 1HB CYS 57 15.746 -8.493 11.326 405 2HB CYS 57 2HB CYS 57 14.732 -7.068 11.212 406 H THR 58 H THR 58 16.076 -5.319 9.658 407 HA THR 58 HA THR 58 18.926 -5.865 9.817 408 HB THR 58 HB THR 58 17.578 -4.224 7.616 409 HG1 THR 58 HG1 THR 58 19.656 -6.292 7.705 410 1HG2 THR 58 1HG2 THR 58 20.009 -3.567 8.931 411 2HG2 THR 58 2HG2 THR 58 20.497 -4.476 7.480 412 3HG2 THR 58 3HG2 THR 58 19.496 -3.013 7.319 413 H PHE 59 H PHE 59 16.456 -3.218 9.554 414 HA PHE 59 HA PHE 59 17.924 -1.855 11.682 415 1HB PHE 59 1HB PHE 59 17.491 -0.510 9.686 416 2HB PHE 59 2HB PHE 59 15.856 -1.123 9.544 417 HD1 PHE 59 HD1 PHE 59 17.818 0.549 12.258 418 HD2 PHE 59 HD2 PHE 59 14.271 0.490 9.930 419 HE1 PHE 59 HE1 PHE 59 16.961 2.546 13.514 420 HE2 PHE 59 HE2 PHE 59 13.413 2.487 11.186 421 HZ PHE 59 HZ PHE 59 14.769 3.491 12.963 No H/Q in entry = 421 Start of MODEL 4 1 H GLU 1 H GLU 1 8.850 -14.498 8.149 2 HA GLU 1 HA GLU 1 7.417 -16.530 9.101 3 1HB GLU 1 1HB GLU 1 10.097 -15.907 8.970 4 2HB GLU 1 2HB GLU 1 9.864 -15.977 10.705 5 1HG GLU 1 1HG GLU 1 9.951 -18.237 10.586 6 2HG GLU 1 2HG GLU 1 8.447 -18.218 9.687 7 H GLU 2 H GLU 2 5.785 -14.556 10.014 8 HA GLU 2 HA GLU 2 5.410 -15.261 12.653 9 1HB GLU 2 1HB GLU 2 7.464 -13.463 12.582 10 2HB GLU 2 2HB GLU 2 6.111 -12.355 12.688 11 1HG GLU 2 1HG GLU 2 5.408 -13.190 14.785 12 2HG GLU 2 2HG GLU 2 6.189 -14.741 14.547 13 H TYR 3 H TYR 3 5.075 -12.609 10.219 14 HA TYR 3 HA TYR 3 3.323 -11.421 9.550 15 1HB TYR 3 1HB TYR 3 2.732 -13.935 9.075 16 2HB TYR 3 2HB TYR 3 1.745 -13.879 10.522 17 HD1 TYR 3 HD1 TYR 3 -0.273 -12.386 10.598 18 HD2 TYR 3 HD2 TYR 3 1.967 -12.997 7.004 19 HE1 TYR 3 HE1 TYR 3 -2.221 -11.502 9.224 20 HE2 TYR 3 HE2 TYR 3 0.012 -12.111 5.643 21 HH TYR 3 HH TYR 3 -2.927 -10.940 7.260 22 H VAL 4 H VAL 4 3.188 -9.698 10.998 23 HA VAL 4 HA VAL 4 0.899 -9.674 12.666 24 HB VAL 4 HB VAL 4 2.321 -10.945 14.147 25 1HG1 VAL 4 1HG1 VAL 4 4.341 -8.855 13.435 26 2HG1 VAL 4 2HG1 VAL 4 4.387 -9.549 15.073 27 3HG1 VAL 4 3HG1 VAL 4 4.536 -10.611 13.652 28 1HG2 VAL 4 1HG2 VAL 4 0.807 -9.050 14.983 29 2HG2 VAL 4 2HG2 VAL 4 2.053 -9.655 16.101 30 3HG2 VAL 4 3HG2 VAL 4 2.306 -8.123 15.232 31 H GLY 5 H GLY 5 1.381 -8.163 10.495 32 1HA GLY 5 1HA GLY 5 1.546 -6.047 9.761 33 2HA GLY 5 2HA GLY 5 2.939 -5.867 10.809 34 H LEU 6 H LEU 6 2.794 -4.564 12.614 35 HA LEU 6 HA LEU 6 0.080 -3.783 13.422 36 1HB LEU 6 1HB LEU 6 1.046 -3.283 15.608 37 2HB LEU 6 2HB LEU 6 1.205 -4.971 15.164 38 HG LEU 6 HG LEU 6 3.605 -4.127 14.323 39 1HD1 LEU 6 1HD1 LEU 6 2.631 -1.819 15.559 40 2HD1 LEU 6 2HD1 LEU 6 3.771 -2.523 16.731 41 3HD1 LEU 6 3HD1 LEU 6 4.309 -2.159 15.074 42 1HD2 LEU 6 1HD2 LEU 6 2.741 -4.958 17.093 43 2HD2 LEU 6 2HD2 LEU 6 3.446 -5.951 15.795 44 3HD2 LEU 6 3HD2 LEU 6 4.453 -4.756 16.647 45 H SER 7 H SER 7 3.258 -2.755 12.259 46 HA SER 7 HA SER 7 2.331 0.000 12.467 47 1HB SER 7 1HB SER 7 4.634 0.699 12.439 48 2HB SER 7 2HB SER 7 4.516 -0.610 13.599 49 HG SER 7 HG SER 7 5.969 -0.468 11.236 50 H ALA 8 H ALA 8 4.392 0.904 10.496 51 HA ALA 8 HA ALA 8 2.963 0.046 8.094 52 1HB ALA 8 1HB ALA 8 4.899 2.296 7.986 53 2HB ALA 8 2HB ALA 8 3.503 2.542 9.063 54 3HB ALA 8 3HB ALA 8 3.244 2.177 7.341 55 H ASN 9 H ASN 9 4.988 -1.645 9.475 56 HA ASN 9 HA ASN 9 7.470 -1.457 8.407 57 1HB ASN 9 1HB ASN 9 5.909 -3.423 9.806 58 2HB ASN 9 2HB ASN 9 6.625 -4.252 8.438 59 2HD2 ASN 9 2HD2 ASN 9 8.854 -4.384 8.215 60 1HD2 ASN 9 1HD2 ASN 9 9.952 -4.106 9.525 61 H GLN 10 H GLN 10 4.628 -3.395 7.184 62 HA GLN 10 HA GLN 10 5.903 -4.215 4.857 63 1HB GLN 10 1HB GLN 10 3.488 -4.676 4.091 64 2HB GLN 10 2HB GLN 10 4.015 -5.474 5.559 65 1HG GLN 10 1HG GLN 10 2.898 -2.816 6.134 66 2HG GLN 10 2HG GLN 10 1.750 -3.814 5.265 67 2HE2 GLN 10 2HE2 GLN 10 2.882 -2.977 8.234 68 1HE2 GLN 10 1HE2 GLN 10 2.377 -4.335 9.184 69 H CYS 11 H CYS 11 4.212 -1.240 5.761 70 HA CYS 11 HA CYS 11 4.440 -0.351 2.979 71 1HB CYS 11 1HB CYS 11 2.752 1.183 4.872 72 2HB CYS 11 2HB CYS 11 2.539 0.872 3.160 73 H ALA 12 H ALA 12 6.782 -0.421 4.454 74 HA ALA 12 HA ALA 12 7.099 2.371 5.324 75 1HB ALA 12 1HB ALA 12 9.181 1.173 6.503 76 2HB ALA 12 2HB ALA 12 7.573 1.216 7.263 77 3HB ALA 12 3HB ALA 12 8.108 -0.242 6.394 78 H VAL 13 H VAL 13 7.140 2.052 2.643 79 HA VAL 13 HA VAL 13 9.880 1.481 1.854 80 HB VAL 13 HB VAL 13 7.935 2.458 -0.130 81 1HG1 VAL 13 1HG1 VAL 13 10.185 0.586 0.084 82 2HG1 VAL 13 2HG1 VAL 13 8.836 -0.040 -0.894 83 3HG1 VAL 13 3HG1 VAL 13 9.594 1.515 -1.314 84 1HG2 VAL 13 1HG2 VAL 13 7.358 0.064 1.601 85 2HG2 VAL 13 2HG2 VAL 13 6.250 1.316 0.989 86 3HG2 VAL 13 3HG2 VAL 13 6.877 0.067 -0.113 87 HA PRO 14 HA PRO 14 10.966 5.662 1.736 88 1HB PRO 14 1HB PRO 14 13.021 5.633 -0.065 89 2HB PRO 14 2HB PRO 14 13.208 5.152 1.610 90 1HG PRO 14 1HG PRO 14 13.072 3.450 -0.803 91 2HG PRO 14 2HG PRO 14 13.672 3.046 0.793 92 1HD PRO 14 1HD PRO 14 11.151 2.275 -0.339 93 2HD PRO 14 2HD PRO 14 11.703 1.970 1.296 94 H ALA 15 H ALA 15 9.264 4.241 -0.618 95 HA ALA 15 HA ALA 15 7.816 5.265 -2.012 96 1HB ALA 15 1HB ALA 15 9.355 7.811 -2.256 97 2HB ALA 15 2HB ALA 15 7.603 7.544 -2.096 98 3HB ALA 15 3HB ALA 15 8.651 7.454 -0.660 99 H LYS 16 H LYS 16 11.338 5.385 -2.275 100 HA LYS 16 HA LYS 16 11.211 5.504 -5.168 101 1HB LYS 16 1HB LYS 16 13.630 5.618 -5.060 102 2HB LYS 16 2HB LYS 16 12.923 6.791 -3.968 103 1HG LYS 16 1HG LYS 16 14.490 5.860 -2.533 104 2HG LYS 16 2HG LYS 16 13.143 4.791 -2.195 105 1HD LYS 16 1HD LYS 16 14.349 3.014 -2.913 106 2HD LYS 16 2HD LYS 16 14.493 3.736 -4.503 107 1HE LYS 16 1HE LYS 16 16.728 3.882 -4.087 108 2HE LYS 16 2HE LYS 16 16.338 5.212 -3.015 109 1HZ LYS 16 1HZ LYS 16 15.998 3.480 -1.274 110 2HZ LYS 16 2HZ LYS 16 16.663 2.391 -2.292 111 3HZ LYS 16 3HZ LYS 16 17.542 3.666 -1.774 112 H ASP 17 H ASP 17 10.285 3.211 -3.139 113 HA ASP 17 HA ASP 17 11.474 1.139 -4.798 114 1HB ASP 17 1HB ASP 17 11.830 1.494 -1.975 115 2HB ASP 17 2HB ASP 17 10.760 0.120 -2.168 116 H ARG 18 H ARG 18 8.838 2.780 -4.599 117 HA ARG 18 HA ARG 18 6.922 0.948 -3.639 118 1HB ARG 18 1HB ARG 18 6.392 3.267 -5.549 119 2HB ARG 18 2HB ARG 18 5.286 2.579 -4.376 120 1HG ARG 18 1HG ARG 18 7.908 3.756 -3.418 121 2HG ARG 18 2HG ARG 18 6.591 4.834 -3.834 122 1HD ARG 18 1HD ARG 18 5.302 2.912 -2.274 123 2HD ARG 18 2HD ARG 18 6.872 3.019 -1.504 124 HE ARG 18 HE ARG 18 5.563 5.602 -2.117 125 1HH1 ARG 18 1HH1 ARG 18 6.240 3.120 0.284 126 2HH1 ARG 18 2HH1 ARG 18 5.897 4.152 1.633 127 1HH2 ARG 18 1HH2 ARG 18 5.111 6.963 -0.338 128 2HH2 ARG 18 2HH2 ARG 18 5.251 6.352 1.277 129 H VAL 19 H VAL 19 5.643 -0.538 -4.812 130 HA VAL 19 HA VAL 19 6.556 -1.027 -7.538 131 HB VAL 19 HB VAL 19 4.799 -2.740 -5.779 132 1HG1 VAL 19 1HG1 VAL 19 6.015 -3.012 -8.457 133 2HG1 VAL 19 2HG1 VAL 19 6.237 -4.418 -7.388 134 3HG1 VAL 19 3HG1 VAL 19 4.598 -3.824 -7.748 135 1HG2 VAL 19 1HG2 VAL 19 7.614 -2.121 -5.487 136 2HG2 VAL 19 2HG2 VAL 19 6.557 -3.114 -4.456 137 3HG2 VAL 19 3HG2 VAL 19 7.383 -3.848 -5.852 138 H ASP 20 H ASP 20 4.213 0.770 -5.960 139 HA ASP 20 HA ASP 20 2.276 1.593 -6.494 140 1HB ASP 20 1HB ASP 20 3.306 2.592 -8.396 141 2HB ASP 20 2HB ASP 20 3.472 1.058 -9.228 142 H CYS 21 H CYS 21 0.616 0.215 -5.760 143 HA CYS 21 HA CYS 21 0.175 -2.317 -6.950 144 1HB CYS 21 1HB CYS 21 -0.393 -1.233 -4.531 145 2HB CYS 21 2HB CYS 21 -1.963 -1.107 -5.299 146 H GLY 22 H GLY 22 -0.822 0.994 -7.540 147 1HA GLY 22 1HA GLY 22 -2.136 0.340 -9.953 148 2HA GLY 22 2HA GLY 22 -2.086 1.904 -9.164 149 H TYR 23 H TYR 23 -3.781 2.562 -7.746 150 HA TYR 23 HA TYR 23 -6.185 0.920 -8.022 151 1HB TYR 23 1HB TYR 23 -4.658 1.864 -5.571 152 2HB TYR 23 2HB TYR 23 -6.406 1.945 -5.472 153 HD1 TYR 23 HD1 TYR 23 -7.659 -0.298 -6.222 154 HD2 TYR 23 HD2 TYR 23 -3.604 -0.087 -4.876 155 HE1 TYR 23 HE1 TYR 23 -7.732 -2.761 -5.594 156 HE2 TYR 23 HE2 TYR 23 -3.690 -2.550 -4.252 157 HH TYR 23 HH TYR 23 -5.744 -4.625 -5.392 158 HA PRO 24 HA PRO 24 -7.957 4.795 -8.782 159 1HB PRO 24 1HB PRO 24 -10.605 4.231 -8.413 160 2HB PRO 24 2HB PRO 24 -9.739 3.842 -9.885 161 1HG PRO 24 1HG PRO 24 -10.605 2.035 -7.711 162 2HG PRO 24 2HG PRO 24 -10.133 1.633 -9.350 163 1HD PRO 24 1HD PRO 24 -8.554 1.302 -6.979 164 2HD PRO 24 2HD PRO 24 -8.041 1.009 -8.629 165 H HIS 25 H HIS 25 -10.141 3.629 -6.285 166 HA HIS 25 HA HIS 25 -9.748 6.154 -4.941 167 1HB HIS 25 1HB HIS 25 -11.668 5.565 -3.642 168 2HB HIS 25 2HB HIS 25 -12.012 5.222 -5.326 169 HD1 HIS 25 HD1 HIS 25 -13.749 3.803 -3.330 170 HD2 HIS 25 HD2 HIS 25 -10.091 2.219 -4.638 171 HE1 HIS 25 HE1 HIS 25 -13.869 1.289 -2.913 172 HE2 HIS 25 HE2 HIS 25 -11.616 0.363 -3.786 173 H VAL 26 H VAL 26 -7.532 5.889 -4.250 174 HA VAL 26 HA VAL 26 -7.058 3.708 -2.381 175 HB VAL 26 HB VAL 26 -4.721 4.544 -2.479 176 1HG1 VAL 26 1HG1 VAL 26 -6.048 3.874 -5.126 177 2HG1 VAL 26 2HG1 VAL 26 -4.297 3.801 -4.816 178 3HG1 VAL 26 3HG1 VAL 26 -5.404 2.725 -3.929 179 1HG2 VAL 26 1HG2 VAL 26 -5.885 6.870 -3.498 180 2HG2 VAL 26 2HG2 VAL 26 -4.147 6.497 -3.406 181 3HG2 VAL 26 3HG2 VAL 26 -5.058 6.139 -4.894 182 H THR 27 H THR 27 -6.838 3.985 -0.179 183 HA THR 27 HA THR 27 -6.579 6.661 0.890 184 HB THR 27 HB THR 27 -8.710 6.768 1.912 185 HG1 THR 27 HG1 THR 27 -9.933 4.666 2.066 186 1HG2 THR 27 1HG2 THR 27 -9.161 5.095 -0.616 187 2HG2 THR 27 2HG2 THR 27 -10.451 5.931 0.282 188 3HG2 THR 27 3HG2 THR 27 -9.170 6.873 -0.519 189 HA PRO 28 HA PRO 28 -4.682 4.561 4.119 190 1HB PRO 28 1HB PRO 28 -5.370 5.936 6.379 191 2HB PRO 28 2HB PRO 28 -4.154 6.497 5.248 192 1HG PRO 28 1HG PRO 28 -6.917 7.474 5.635 193 2HG PRO 28 2HG PRO 28 -5.572 8.269 4.839 194 1HD PRO 28 1HD PRO 28 -7.795 6.974 3.570 195 2HD PRO 28 2HD PRO 28 -6.393 7.666 2.778 196 H LYS 29 H LYS 29 -7.045 3.294 3.256 197 HA LYS 29 HA LYS 29 -7.318 1.452 5.315 198 1HB LYS 29 1HB LYS 29 -8.564 3.573 6.236 199 2HB LYS 29 2HB LYS 29 -9.843 3.074 5.147 200 1HG LYS 29 1HG LYS 29 -8.577 1.043 7.012 201 2HG LYS 29 2HG LYS 29 -9.795 2.145 7.624 202 1HD LYS 29 1HD LYS 29 -11.428 1.359 5.966 203 2HD LYS 29 2HD LYS 29 -10.212 0.386 5.163 204 1HE LYS 29 1HE LYS 29 -10.490 -1.332 6.631 205 2HE LYS 29 2HE LYS 29 -10.318 -0.271 8.014 206 1HZ LYS 29 1HZ LYS 29 -12.680 0.438 7.403 207 2HZ LYS 29 2HZ LYS 29 -12.743 -0.955 6.552 208 3HZ LYS 29 3HZ LYS 29 -12.468 -0.993 8.161 209 H GLU 30 H GLU 30 -8.862 3.152 2.544 210 HA GLU 30 HA GLU 30 -10.214 0.803 1.722 211 1HB GLU 30 1HB GLU 30 -11.106 3.047 1.225 212 2HB GLU 30 2HB GLU 30 -9.679 3.440 0.286 213 1HG GLU 30 1HG GLU 30 -10.527 2.423 -1.557 214 2HG GLU 30 2HG GLU 30 -10.794 0.931 -0.676 215 H CYS 31 H CYS 31 -7.164 2.501 0.876 216 HA CYS 31 HA CYS 31 -6.621 0.854 -1.358 217 1HB CYS 31 1HB CYS 31 -5.522 2.846 -1.521 218 2HB CYS 31 2HB CYS 31 -5.172 2.938 0.193 219 H ASN 32 H ASN 32 -6.099 0.734 2.160 220 HA ASN 32 HA ASN 32 -4.277 -1.473 1.878 221 1HB ASN 32 1HB ASN 32 -3.648 -0.979 4.045 222 2HB ASN 32 2HB ASN 32 -4.475 0.537 3.747 223 2HD2 ASN 32 2HD2 ASN 32 -4.066 -1.487 6.065 224 1HD2 ASN 32 1HD2 ASN 32 -5.627 -1.605 6.806 225 H ASN 33 H ASN 33 -7.556 -1.059 1.610 226 HA ASN 33 HA ASN 33 -8.239 -3.373 3.215 227 1HB ASN 33 1HB ASN 33 -9.802 -1.587 3.573 228 2HB ASN 33 2HB ASN 33 -9.843 -1.161 1.873 229 2HD2 ASN 33 2HD2 ASN 33 -11.348 -2.806 4.360 230 1HD2 ASN 33 1HD2 ASN 33 -12.473 -3.771 3.464 231 H ARG 34 H ARG 34 -8.279 -1.985 -0.120 232 HA ARG 34 HA ARG 34 -9.644 -4.002 -1.365 233 1HB ARG 34 1HB ARG 34 -8.539 -1.647 -2.170 234 2HB ARG 34 2HB ARG 34 -7.332 -2.737 -2.822 235 1HG ARG 34 1HG ARG 34 -10.331 -2.986 -3.348 236 2HG ARG 34 2HG ARG 34 -9.203 -2.206 -4.438 237 1HD ARG 34 1HD ARG 34 -7.878 -4.522 -4.233 238 2HD ARG 34 2HD ARG 34 -9.442 -5.141 -3.740 239 HE ARG 34 HE ARG 34 -9.919 -3.611 -6.061 240 1HH1 ARG 34 1HH1 ARG 34 -8.060 -6.470 -5.194 241 2HH1 ARG 34 2HH1 ARG 34 -8.172 -7.177 -6.772 242 1HH2 ARG 34 1HH2 ARG 34 -10.068 -4.544 -8.142 243 2HH2 ARG 34 2HH2 ARG 34 -9.321 -6.074 -8.459 244 H GLY 35 H GLY 35 -6.290 -3.802 -0.214 245 1HA GLY 35 1HA GLY 35 -5.741 -6.452 -1.412 246 2HA GLY 35 2HA GLY 35 -5.364 -6.059 0.254 247 H CYS 36 H CYS 36 -3.867 -4.128 0.635 248 HA CYS 36 HA CYS 36 -1.483 -4.495 -0.594 249 1HB CYS 36 1HB CYS 36 -3.177 -3.160 -2.403 250 2HB CYS 36 2HB CYS 36 -2.092 -1.932 -1.781 251 H CYS 37 H CYS 37 -0.570 -1.692 -0.627 252 HA CYS 37 HA CYS 37 -1.187 -0.976 2.148 253 1HB CYS 37 1HB CYS 37 1.422 -1.202 0.718 254 2HB CYS 37 2HB CYS 37 1.241 0.082 1.897 255 H PHE 38 H PHE 38 -1.203 1.366 2.578 256 HA PHE 38 HA PHE 38 -1.563 2.921 0.113 257 1HB PHE 38 1HB PHE 38 -3.664 2.575 1.386 258 2HB PHE 38 2HB PHE 38 -2.867 2.974 2.895 259 HD1 PHE 38 HD1 PHE 38 -4.044 4.393 -0.310 260 HD2 PHE 38 HD2 PHE 38 -2.693 5.219 3.627 261 HE1 PHE 38 HE1 PHE 38 -4.744 6.789 -0.572 262 HE2 PHE 38 HE2 PHE 38 -3.393 7.615 3.365 263 HZ PHE 38 HZ PHE 38 -4.410 8.371 1.268 264 H ASP 39 H ASP 39 -1.390 5.426 0.685 265 HA ASP 39 HA ASP 39 0.198 6.198 2.801 266 1HB ASP 39 1HB ASP 39 2.026 4.967 1.753 267 2HB ASP 39 2HB ASP 39 1.671 5.664 0.185 268 H SER 40 H SER 40 0.434 8.548 2.747 269 HA SER 40 HA SER 40 -0.455 9.797 0.280 270 1HB SER 40 1HB SER 40 -1.959 11.297 1.503 271 2HB SER 40 2HB SER 40 -2.416 9.632 1.800 272 HG SER 40 HG SER 40 -0.868 9.933 3.778 273 H ARG 41 H ARG 41 2.104 9.350 2.071 274 HA ARG 41 HA ARG 41 2.800 11.741 3.205 275 1HB ARG 41 1HB ARG 41 3.982 9.300 3.003 276 2HB ARG 41 2HB ARG 41 4.936 10.145 1.800 277 1HG ARG 41 1HG ARG 41 5.120 12.014 3.701 278 2HG ARG 41 2HG ARG 41 4.720 10.683 4.769 279 1HD ARG 41 1HD ARG 41 6.691 9.612 3.048 280 2HD ARG 41 2HD ARG 41 7.244 11.245 3.366 281 HE ARG 41 HE ARG 41 7.084 9.055 5.294 282 1HH1 ARG 41 1HH1 ARG 41 7.093 12.556 4.939 283 2HH1 ARG 41 2HH1 ARG 41 7.658 12.846 6.550 284 1HH2 ARG 41 1HH2 ARG 41 7.830 9.437 7.420 285 2HH2 ARG 41 2HH2 ARG 41 8.080 11.060 7.971 286 H ILE 42 H ILE 42 3.354 10.480 -0.152 287 HA ILE 42 HA ILE 42 3.535 13.227 -1.072 288 HB ILE 42 HB ILE 42 5.552 12.090 -2.516 289 1HG1 ILE 42 1HG1 ILE 42 7.117 11.097 -0.872 290 2HG1 ILE 42 2HG1 ILE 42 5.849 11.106 0.337 291 1HG2 ILE 42 1HG2 ILE 42 5.522 13.878 -0.093 292 2HG2 ILE 42 2HG2 ILE 42 7.042 13.452 -0.916 293 3HG2 ILE 42 3HG2 ILE 42 5.756 14.300 -1.807 294 1HD1 ILE 42 1HD1 ILE 42 5.028 9.859 -2.227 295 2HD1 ILE 42 2HD1 ILE 42 6.356 9.014 -1.396 296 3HD1 ILE 42 3HD1 ILE 42 4.808 9.279 -0.559 297 HA PRO 43 HA PRO 43 1.124 11.365 -4.149 298 1HB PRO 43 1HB PRO 43 0.887 13.488 -5.853 299 2HB PRO 43 2HB PRO 43 -0.114 13.286 -4.429 300 1HG PRO 43 1HG PRO 43 2.153 15.136 -4.854 301 2HG PRO 43 2HG PRO 43 0.893 15.205 -3.638 302 1HD PRO 43 1HD PRO 43 3.603 14.344 -3.257 303 2HD PRO 43 2HD PRO 43 2.313 14.303 -2.070 304 H GLY 44 H GLY 44 4.040 13.064 -5.063 305 1HA GLY 44 1HA GLY 44 5.713 12.320 -6.406 306 2HA GLY 44 2HA GLY 44 4.446 12.384 -7.615 307 H VAL 45 H VAL 45 4.908 10.151 -4.789 308 HA VAL 45 HA VAL 45 5.469 7.976 -6.620 309 HB VAL 45 HB VAL 45 6.312 6.868 -4.817 310 1HG1 VAL 45 1HG1 VAL 45 7.110 9.444 -5.063 311 2HG1 VAL 45 2HG1 VAL 45 6.604 9.435 -3.356 312 3HG1 VAL 45 3HG1 VAL 45 7.840 8.287 -3.924 313 1HG2 VAL 45 1HG2 VAL 45 4.205 8.288 -3.193 314 2HG2 VAL 45 2HG2 VAL 45 4.474 6.542 -3.414 315 3HG2 VAL 45 3HG2 VAL 45 5.589 7.493 -2.403 316 HA PRO 46 HA PRO 46 1.536 6.189 -6.402 317 1HB PRO 46 1HB PRO 46 1.965 3.513 -6.052 318 2HB PRO 46 2HB PRO 46 2.160 4.321 -7.595 319 1HG PRO 46 1HG PRO 46 4.243 3.361 -5.730 320 2HG PRO 46 2HG PRO 46 4.394 3.772 -7.427 321 1HD PRO 46 1HD PRO 46 5.234 5.364 -5.194 322 2HD PRO 46 2HD PRO 46 5.278 5.824 -6.884 323 H TRP 47 H TRP 47 0.592 7.268 -4.670 324 HA TRP 47 HA TRP 47 0.928 6.965 -2.087 325 1HB TRP 47 1HB TRP 47 -1.526 7.246 -3.740 326 2HB TRP 47 2HB TRP 47 -1.749 6.867 -2.043 327 HD1 TRP 47 HD1 TRP 47 1.154 9.176 -3.090 328 HE1 TRP 47 HE1 TRP 47 0.788 11.635 -2.206 329 HE3 TRP 47 HE3 TRP 47 -3.584 8.425 -1.404 330 HZ2 TRP 47 HZ2 TRP 47 -1.393 12.960 -0.929 331 HZ3 TRP 47 HZ3 TRP 47 -4.761 10.354 -0.352 332 HH2 TRP 47 HH2 TRP 47 -3.742 12.561 -0.101 333 H CYS 48 H CYS 48 -0.999 4.634 -4.109 334 HA CYS 48 HA CYS 48 -0.919 2.762 -1.893 335 1HB CYS 48 1HB CYS 48 -3.005 3.332 -3.310 336 2HB CYS 48 2HB CYS 48 -2.286 2.306 -4.535 337 H PHE 49 H PHE 49 0.876 1.455 -1.798 338 HA PHE 49 HA PHE 49 1.883 0.421 -4.347 339 1HB PHE 49 1HB PHE 49 4.185 0.623 -3.118 340 2HB PHE 49 2HB PHE 49 3.475 2.124 -3.679 341 HD1 PHE 49 HD1 PHE 49 3.635 -0.044 -0.651 342 HD2 PHE 49 HD2 PHE 49 3.222 3.888 -2.193 343 HE1 PHE 49 HE1 PHE 49 3.753 0.882 1.679 344 HE2 PHE 49 HE2 PHE 49 3.340 4.814 0.137 345 HZ PHE 49 HZ PHE 49 3.604 3.300 2.045 346 H LYS 50 H LYS 50 3.258 -1.591 -4.031 347 HA LYS 50 HA LYS 50 1.842 -3.409 -2.413 348 1HB LYS 50 1HB LYS 50 4.389 -3.602 -4.033 349 2HB LYS 50 2HB LYS 50 3.742 -4.960 -3.134 350 1HG LYS 50 1HG LYS 50 1.492 -3.988 -4.489 351 2HG LYS 50 2HG LYS 50 2.780 -3.748 -5.654 352 1HD LYS 50 1HD LYS 50 3.214 -6.334 -4.508 353 2HD LYS 50 2HD LYS 50 1.497 -6.230 -4.841 354 1HE LYS 50 1HE LYS 50 2.402 -5.183 -7.170 355 2HE LYS 50 2HE LYS 50 3.815 -6.136 -6.760 356 1HZ LYS 50 1HZ LYS 50 1.557 -7.682 -6.300 357 2HZ LYS 50 2HZ LYS 50 1.410 -7.028 -7.789 358 3HZ LYS 50 3HZ LYS 50 2.729 -7.915 -7.413 359 HA PRO 51 HA PRO 51 4.082 -3.306 1.274 360 1HB PRO 51 1HB PRO 51 4.146 -5.914 2.086 361 2HB PRO 51 2HB PRO 51 2.737 -4.888 2.268 362 1HG PRO 51 1HG PRO 51 3.208 -7.061 0.320 363 2HG PRO 51 2HG PRO 51 1.691 -6.324 0.798 364 1HD PRO 51 1HD PRO 51 3.139 -5.850 -1.633 365 2HD PRO 51 2HD PRO 51 1.685 -5.030 -1.102 366 H LEU 52 H LEU 52 6.115 -2.666 1.552 367 HA LEU 52 HA LEU 52 8.182 -3.254 0.021 368 1HB LEU 52 1HB LEU 52 8.317 -1.673 1.805 369 2HB LEU 52 2HB LEU 52 8.144 -2.925 3.018 370 HG LEU 52 HG LEU 52 10.510 -2.648 1.144 371 1HD1 LEU 52 1HD1 LEU 52 9.900 -1.008 3.276 372 2HD1 LEU 52 2HD1 LEU 52 10.985 -2.220 3.998 373 3HD1 LEU 52 3HD1 LEU 52 11.519 -1.277 2.586 374 1HD2 LEU 52 1HD2 LEU 52 9.671 -4.727 3.055 375 2HD2 LEU 52 2HD2 LEU 52 10.791 -4.809 1.674 376 3HD2 LEU 52 3HD2 LEU 52 11.353 -4.176 3.240 377 H GLN 53 H GLN 53 9.577 -4.912 -0.469 378 HA GLN 53 HA GLN 53 8.750 -7.486 0.169 379 1HB GLN 53 1HB GLN 53 10.971 -8.138 -0.911 380 2HB GLN 53 2HB GLN 53 9.914 -7.144 -1.893 381 1HG GLN 53 1HG GLN 53 11.761 -5.581 -0.167 382 2HG GLN 53 2HG GLN 53 12.579 -6.585 -1.347 383 2HE2 GLN 53 2HE2 GLN 53 11.472 -3.608 -0.835 384 1HE2 GLN 53 1HE2 GLN 53 11.073 -3.081 -2.435 385 H GLU 54 H GLU 54 8.635 -7.290 2.579 386 HA GLU 54 HA GLU 54 10.668 -6.721 4.227 387 1HB GLU 54 1HB GLU 54 9.506 -7.956 5.907 388 2HB GLU 54 2HB GLU 54 8.267 -7.411 4.794 389 1HG GLU 54 1HG GLU 54 9.523 -10.191 4.906 390 2HG GLU 54 2HG GLU 54 7.875 -9.769 5.325 391 H ALA 55 H ALA 55 12.724 -7.468 4.498 392 HA ALA 55 HA ALA 55 13.233 -10.297 4.306 393 1HB ALA 55 1HB ALA 55 14.687 -10.261 2.469 394 2HB ALA 55 2HB ALA 55 13.364 -9.196 1.935 395 3HB ALA 55 3HB ALA 55 14.886 -8.493 2.534 396 H GLU 56 H GLU 56 15.601 -10.734 4.918 397 HA GLU 56 HA GLU 56 16.860 -8.540 6.262 398 1HB GLU 56 1HB GLU 56 15.100 -9.707 7.842 399 2HB GLU 56 2HB GLU 56 16.285 -10.994 7.943 400 1HG GLU 56 1HG GLU 56 17.022 -9.690 9.714 401 2HG GLU 56 2HG GLU 56 17.968 -8.962 8.430 402 H CYS 57 H CYS 57 18.953 -8.706 5.596 403 HA CYS 57 HA CYS 57 20.015 -11.423 5.308 404 1HB CYS 57 1HB CYS 57 19.697 -9.697 3.269 405 2HB CYS 57 2HB CYS 57 21.280 -9.184 3.821 406 H THR 58 H THR 58 21.090 -7.954 5.662 407 HA THR 58 HA THR 58 22.311 -8.403 8.167 408 HB THR 58 HB THR 58 23.887 -9.709 6.679 409 HG1 THR 58 HG1 THR 58 25.670 -8.599 7.674 410 1HG2 THR 58 1HG2 THR 58 23.552 -7.592 4.872 411 2HG2 THR 58 2HG2 THR 58 25.125 -7.234 5.624 412 3HG2 THR 58 3HG2 THR 58 24.862 -8.795 4.810 413 H PHE 59 H PHE 59 22.381 -6.504 9.211 414 HA PHE 59 HA PHE 59 22.047 -4.342 9.542 415 1HB PHE 59 1HB PHE 59 24.449 -4.416 8.802 416 2HB PHE 59 2HB PHE 59 23.951 -4.313 7.125 417 HD1 PHE 59 HD1 PHE 59 23.473 -2.397 10.301 418 HD2 PHE 59 HD2 PHE 59 24.131 -2.257 6.111 419 HE1 PHE 59 HE1 PHE 59 23.625 0.106 10.409 420 HE2 PHE 59 HE2 PHE 59 24.283 0.246 6.219 421 HZ PHE 59 HZ PHE 59 24.028 1.398 8.367 No H/Q in entry = 421 Start of MODEL 5 1 H GLU 1 H GLU 1 10.397 -14.158 19.094 2 HA GLU 1 HA GLU 1 8.405 -13.840 20.377 3 1HB GLU 1 1HB GLU 1 9.963 -11.438 19.417 4 2HB GLU 1 2HB GLU 1 8.602 -11.185 20.490 5 1HG GLU 1 1HG GLU 1 9.711 -13.090 21.950 6 2HG GLU 1 2HG GLU 1 11.154 -12.738 21.019 7 H GLU 2 H GLU 2 7.134 -14.639 18.102 8 HA GLU 2 HA GLU 2 5.315 -14.415 16.939 9 1HB GLU 2 1HB GLU 2 4.760 -12.242 18.992 10 2HB GLU 2 2HB GLU 2 3.595 -12.650 17.747 11 1HG GLU 2 1HG GLU 2 3.266 -14.848 18.584 12 2HG GLU 2 2HG GLU 2 4.791 -14.856 19.448 13 H TYR 3 H TYR 3 5.595 -10.887 17.700 14 HA TYR 3 HA TYR 3 5.832 -9.115 16.389 15 1HB TYR 3 1HB TYR 3 8.082 -10.358 16.113 16 2HB TYR 3 2HB TYR 3 7.427 -11.124 14.679 17 HD1 TYR 3 HD1 TYR 3 8.477 -7.873 16.128 18 HD2 TYR 3 HD2 TYR 3 7.368 -9.982 12.574 19 HE1 TYR 3 HE1 TYR 3 9.281 -5.922 14.710 20 HE2 TYR 3 HE2 TYR 3 8.176 -8.023 11.169 21 HH TYR 3 HH TYR 3 10.105 -5.580 12.423 22 H VAL 4 H VAL 4 5.329 -8.112 14.231 23 HA VAL 4 HA VAL 4 4.210 -9.612 12.160 24 HB VAL 4 HB VAL 4 2.508 -10.104 13.884 25 1HG1 VAL 4 1HG1 VAL 4 2.804 -7.411 14.568 26 2HG1 VAL 4 2HG1 VAL 4 1.191 -7.507 13.820 27 3HG1 VAL 4 3HG1 VAL 4 1.593 -8.549 15.206 28 1HG2 VAL 4 1HG2 VAL 4 2.025 -8.891 11.259 29 2HG2 VAL 4 2HG2 VAL 4 1.349 -10.371 11.981 30 3HG2 VAL 4 3HG2 VAL 4 0.620 -8.788 12.346 31 H GLY 5 H GLY 5 4.294 -8.318 10.379 32 1HA GLY 5 1HA GLY 5 4.928 -6.440 9.254 33 2HA GLY 5 2HA GLY 5 5.000 -5.543 10.758 34 H LEU 6 H LEU 6 2.113 -6.844 11.256 35 HA LEU 6 HA LEU 6 0.261 -6.107 9.502 36 1HB LEU 6 1HB LEU 6 0.325 -6.743 12.178 37 2HB LEU 6 2HB LEU 6 -0.380 -5.139 12.191 38 HG LEU 6 HG LEU 6 -1.567 -6.901 10.163 39 1HD1 LEU 6 1HD1 LEU 6 -1.141 -7.952 12.846 40 2HD1 LEU 6 2HD1 LEU 6 -2.866 -7.857 12.419 41 3HD1 LEU 6 3HD1 LEU 6 -1.740 -8.758 11.377 42 1HD2 LEU 6 1HD2 LEU 6 -2.428 -4.668 10.853 43 2HD2 LEU 6 2HD2 LEU 6 -3.626 -5.978 10.984 44 3HD2 LEU 6 3HD2 LEU 6 -2.822 -5.357 12.446 45 H SER 7 H SER 7 0.460 -4.397 8.114 46 HA SER 7 HA SER 7 0.498 -2.350 7.397 47 1HB SER 7 1HB SER 7 -0.735 -0.668 8.550 48 2HB SER 7 2HB SER 7 -1.467 -2.183 9.038 49 HG SER 7 HG SER 7 -0.836 -1.873 11.072 50 H ALA 8 H ALA 8 1.748 -0.272 7.438 51 HA ALA 8 HA ALA 8 3.492 1.010 7.950 52 1HB ALA 8 1HB ALA 8 3.749 1.365 10.153 53 2HB ALA 8 2HB ALA 8 2.768 -0.086 10.471 54 3HB ALA 8 3HB ALA 8 4.539 -0.219 10.348 55 H ASN 9 H ASN 9 4.697 -1.993 9.555 56 HA ASN 9 HA ASN 9 7.114 -2.027 8.458 57 1HB ASN 9 1HB ASN 9 5.621 -3.791 9.981 58 2HB ASN 9 2HB ASN 9 5.804 -4.721 8.507 59 2HD2 ASN 9 2HD2 ASN 9 7.249 -3.626 11.370 60 1HD2 ASN 9 1HD2 ASN 9 8.857 -4.226 11.136 61 H GLN 10 H GLN 10 4.030 -3.268 7.044 62 HA GLN 10 HA GLN 10 5.296 -4.364 4.770 63 1HB GLN 10 1HB GLN 10 2.825 -4.377 3.926 64 2HB GLN 10 2HB GLN 10 3.248 -5.388 5.293 65 1HG GLN 10 1HG GLN 10 2.197 -3.961 6.856 66 2HG GLN 10 2HG GLN 10 2.306 -2.559 5.809 67 2HE2 GLN 10 2HE2 GLN 10 1.168 -5.871 5.193 68 1HE2 GLN 10 1HE2 GLN 10 -0.444 -5.466 4.706 69 H CYS 11 H CYS 11 3.818 -1.234 5.646 70 HA CYS 11 HA CYS 11 4.369 -0.310 2.923 71 1HB CYS 11 1HB CYS 11 2.772 1.424 4.688 72 2HB CYS 11 2HB CYS 11 2.572 1.040 2.990 73 H ALA 12 H ALA 12 6.570 -0.690 4.600 74 HA ALA 12 HA ALA 12 7.098 1.948 5.756 75 1HB ALA 12 1HB ALA 12 9.135 -0.121 6.138 76 2HB ALA 12 2HB ALA 12 7.528 -0.653 6.687 77 3HB ALA 12 3HB ALA 12 8.245 0.836 7.347 78 H VAL 13 H VAL 13 6.936 1.784 2.922 79 HA VAL 13 HA VAL 13 9.707 1.603 2.043 80 HB VAL 13 HB VAL 13 7.680 2.398 0.095 81 1HG1 VAL 13 1HG1 VAL 13 10.051 0.706 0.316 82 2HG1 VAL 13 2HG1 VAL 13 8.750 -0.069 -0.620 83 3HG1 VAL 13 3HG1 VAL 13 9.362 1.531 -1.103 84 1HG2 VAL 13 1HG2 VAL 13 7.220 -0.023 1.822 85 2HG2 VAL 13 2HG2 VAL 13 6.050 1.161 1.189 86 3HG2 VAL 13 3HG2 VAL 13 6.765 -0.054 0.101 87 HA PRO 14 HA PRO 14 10.206 5.894 2.062 88 1HB PRO 14 1HB PRO 14 12.133 6.237 0.155 89 2HB PRO 14 2HB PRO 14 12.485 5.708 1.788 90 1HG PRO 14 1HG PRO 14 12.436 4.119 -0.704 91 2HG PRO 14 2HG PRO 14 13.181 3.727 0.833 92 1HD PRO 14 1HD PRO 14 10.726 2.667 -0.203 93 2HD PRO 14 2HD PRO 14 11.412 2.366 1.381 94 H ALA 15 H ALA 15 10.243 4.811 -1.308 95 HA ALA 15 HA ALA 15 7.910 5.727 -2.160 96 1HB ALA 15 1HB ALA 15 9.739 8.049 -1.601 97 2HB ALA 15 2HB ALA 15 7.976 7.915 -1.395 98 3HB ALA 15 3HB ALA 15 8.669 8.123 -3.021 99 H LYS 16 H LYS 16 11.382 5.444 -2.554 100 HA LYS 16 HA LYS 16 11.131 5.429 -5.454 101 1HB LYS 16 1HB LYS 16 13.546 5.417 -5.478 102 2HB LYS 16 2HB LYS 16 12.978 6.686 -4.413 103 1HG LYS 16 1HG LYS 16 14.556 5.742 -3.006 104 2HG LYS 16 2HG LYS 16 13.183 4.750 -2.557 105 1HD LYS 16 1HD LYS 16 14.373 2.922 -3.172 106 2HD LYS 16 2HD LYS 16 14.267 3.464 -4.835 107 1HE LYS 16 1HE LYS 16 16.365 4.696 -4.655 108 2HE LYS 16 2HE LYS 16 16.422 4.463 -2.919 109 1HZ LYS 16 1HZ LYS 16 16.256 1.961 -3.785 110 2HZ LYS 16 2HZ LYS 16 17.099 2.633 -5.012 111 3HZ LYS 16 3HZ LYS 16 17.667 2.726 -3.483 112 H ASP 17 H ASP 17 10.367 3.343 -3.048 113 HA ASP 17 HA ASP 17 11.385 1.076 -4.574 114 1HB ASP 17 1HB ASP 17 11.373 1.666 -1.710 115 2HB ASP 17 2HB ASP 17 10.488 0.186 -2.020 116 H ARG 18 H ARG 18 8.787 2.955 -4.432 117 HA ARG 18 HA ARG 18 6.768 1.142 -3.645 118 1HB ARG 18 1HB ARG 18 6.369 3.607 -5.394 119 2HB ARG 18 2HB ARG 18 5.225 2.892 -4.276 120 1HG ARG 18 1HG ARG 18 7.864 4.204 -3.468 121 2HG ARG 18 2HG ARG 18 6.293 4.973 -3.366 122 1HD ARG 18 1HD ARG 18 5.571 2.970 -1.880 123 2HD ARG 18 2HD ARG 18 7.268 2.543 -1.804 124 HE ARG 18 HE ARG 18 7.546 4.250 -0.247 125 1HH1 ARG 18 1HH1 ARG 18 4.794 5.052 -2.287 126 2HH1 ARG 18 2HH1 ARG 18 4.416 6.506 -1.425 127 1HH2 ARG 18 1HH2 ARG 18 7.048 6.168 0.891 128 2HH2 ARG 18 2HH2 ARG 18 5.707 7.145 0.394 129 H VAL 19 H VAL 19 6.027 -0.556 -4.879 130 HA VAL 19 HA VAL 19 6.763 -0.660 -7.665 131 HB VAL 19 HB VAL 19 5.237 -2.599 -5.914 132 1HG1 VAL 19 1HG1 VAL 19 6.301 -2.743 -8.727 133 2HG1 VAL 19 2HG1 VAL 19 6.194 -4.215 -7.732 134 3HG1 VAL 19 3HG1 VAL 19 4.728 -3.268 -8.080 135 1HG2 VAL 19 1HG2 VAL 19 7.486 -2.179 -5.039 136 2HG2 VAL 19 2HG2 VAL 19 7.370 -3.815 -5.731 137 3HG2 VAL 19 3HG2 VAL 19 8.186 -2.520 -6.639 138 H ASP 20 H ASP 20 4.244 0.696 -5.836 139 HA ASP 20 HA ASP 20 2.308 1.528 -6.339 140 1HB ASP 20 1HB ASP 20 3.199 2.626 -8.256 141 2HB ASP 20 2HB ASP 20 3.415 1.123 -9.131 142 H CYS 21 H CYS 21 0.451 0.345 -5.864 143 HA CYS 21 HA CYS 21 0.193 -2.300 -6.964 144 1HB CYS 21 1HB CYS 21 -0.394 -1.264 -4.533 145 2HB CYS 21 2HB CYS 21 -1.971 -1.165 -5.291 146 H GLY 22 H GLY 22 -0.860 0.977 -7.568 147 1HA GLY 22 1HA GLY 22 -2.205 0.278 -9.954 148 2HA GLY 22 2HA GLY 22 -2.147 1.855 -9.192 149 H TYR 23 H TYR 23 -3.812 2.520 -7.732 150 HA TYR 23 HA TYR 23 -6.224 0.884 -7.966 151 1HB TYR 23 1HB TYR 23 -4.661 1.834 -5.538 152 2HB TYR 23 2HB TYR 23 -6.408 1.894 -5.413 153 HD1 TYR 23 HD1 TYR 23 -7.642 -0.365 -6.158 154 HD2 TYR 23 HD2 TYR 23 -3.576 -0.102 -4.853 155 HE1 TYR 23 HE1 TYR 23 -7.675 -2.830 -5.534 156 HE2 TYR 23 HE2 TYR 23 -3.623 -2.567 -4.233 157 HH TYR 23 HH TYR 23 -5.284 -4.235 -3.616 158 HA PRO 24 HA PRO 24 -7.989 4.768 -8.701 159 1HB PRO 24 1HB PRO 24 -10.636 4.202 -8.323 160 2HB PRO 24 2HB PRO 24 -9.777 3.823 -9.803 161 1HG PRO 24 1HG PRO 24 -10.634 2.001 -7.638 162 2HG PRO 24 2HG PRO 24 -10.169 1.611 -9.282 163 1HD PRO 24 1HD PRO 24 -8.579 1.262 -6.920 164 2HD PRO 24 2HD PRO 24 -8.075 0.980 -8.575 165 H HIS 25 H HIS 25 -10.107 3.542 -6.167 166 HA HIS 25 HA HIS 25 -9.743 6.074 -4.823 167 1HB HIS 25 1HB HIS 25 -11.622 5.415 -3.469 168 2HB HIS 25 2HB HIS 25 -12.000 5.153 -5.160 169 HD1 HIS 25 HD1 HIS 25 -13.744 3.614 -3.340 170 HD2 HIS 25 HD2 HIS 25 -9.995 2.146 -4.519 171 HE1 HIS 25 HE1 HIS 25 -13.829 1.086 -3.005 172 HE2 HIS 25 HE2 HIS 25 -11.517 0.234 -3.797 173 H VAL 26 H VAL 26 -7.524 5.858 -4.150 174 HA VAL 26 HA VAL 26 -6.996 3.674 -2.290 175 HB VAL 26 HB VAL 26 -4.663 4.504 -2.446 176 1HG1 VAL 26 1HG1 VAL 26 -6.054 3.827 -5.059 177 2HG1 VAL 26 2HG1 VAL 26 -4.294 3.764 -4.798 178 3HG1 VAL 26 3HG1 VAL 26 -5.370 2.685 -3.878 179 1HG2 VAL 26 1HG2 VAL 26 -5.577 6.882 -3.157 180 2HG2 VAL 26 2HG2 VAL 26 -3.998 6.295 -3.731 181 3HG2 VAL 26 3HG2 VAL 26 -5.421 6.206 -4.796 182 H THR 27 H THR 27 -6.637 3.984 -0.097 183 HA THR 27 HA THR 27 -6.409 6.672 0.934 184 HB THR 27 HB THR 27 -8.512 6.786 1.982 185 HG1 THR 27 HG1 THR 27 -9.482 4.845 2.705 186 1HG2 THR 27 1HG2 THR 27 -9.008 4.956 -0.424 187 2HG2 THR 27 2HG2 THR 27 -10.292 5.794 0.480 188 3HG2 THR 27 3HG2 THR 27 -9.080 6.734 -0.423 189 HA PRO 28 HA PRO 28 -4.388 4.644 4.135 190 1HB PRO 28 1HB PRO 28 -5.072 5.992 6.412 191 2HB PRO 28 2HB PRO 28 -3.901 6.596 5.256 192 1HG PRO 28 1HG PRO 28 -6.686 7.478 5.705 193 2HG PRO 28 2HG PRO 28 -5.387 8.319 4.881 194 1HD PRO 28 1HD PRO 28 -7.592 6.951 3.659 195 2HD PRO 28 2HD PRO 28 -6.232 7.691 2.838 196 H LYS 29 H LYS 29 -6.690 3.271 3.319 197 HA LYS 29 HA LYS 29 -6.865 1.427 5.376 198 1HB LYS 29 1HB LYS 29 -8.164 3.507 6.331 199 2HB LYS 29 2HB LYS 29 -9.452 2.950 5.282 200 1HG LYS 29 1HG LYS 29 -8.407 0.631 6.618 201 2HG LYS 29 2HG LYS 29 -8.608 1.872 7.839 202 1HD LYS 29 1HD LYS 29 -10.948 2.101 6.304 203 2HD LYS 29 2HD LYS 29 -10.661 0.373 6.337 204 1HE LYS 29 1HE LYS 29 -10.998 0.210 8.627 205 2HE LYS 29 2HE LYS 29 -10.317 1.791 8.953 206 1HZ LYS 29 1HZ LYS 29 -12.882 1.486 7.576 207 2HZ LYS 29 2HZ LYS 29 -12.781 1.539 9.205 208 3HZ LYS 29 3HZ LYS 29 -12.287 2.815 8.314 209 H GLU 30 H GLU 30 -8.796 3.079 2.793 210 HA GLU 30 HA GLU 30 -10.013 0.708 1.960 211 1HB GLU 30 1HB GLU 30 -11.032 2.836 1.431 212 2HB GLU 30 2HB GLU 30 -9.591 3.403 0.610 213 1HG GLU 30 1HG GLU 30 -10.050 2.221 -1.319 214 2HG GLU 30 2HG GLU 30 -10.709 0.848 -0.453 215 H CYS 31 H CYS 31 -7.076 2.510 0.886 216 HA CYS 31 HA CYS 31 -6.558 0.890 -1.331 217 1HB CYS 31 1HB CYS 31 -5.418 2.858 -1.442 218 2HB CYS 31 2HB CYS 31 -5.052 2.890 0.271 219 H ASN 32 H ASN 32 -5.870 0.667 2.170 220 HA ASN 32 HA ASN 32 -4.144 -1.588 1.751 221 1HB ASN 32 1HB ASN 32 -3.475 -0.139 3.560 222 2HB ASN 32 2HB ASN 32 -5.105 -0.039 4.195 223 2HD2 ASN 32 2HD2 ASN 32 -5.197 -0.979 6.081 224 1HD2 ASN 32 1HD2 ASN 32 -4.522 -2.510 6.528 225 H ASN 33 H ASN 33 -7.441 -1.039 1.705 226 HA ASN 33 HA ASN 33 -8.142 -3.356 3.275 227 1HB ASN 33 1HB ASN 33 -9.593 -1.389 3.521 228 2HB ASN 33 2HB ASN 33 -9.794 -1.255 1.785 229 2HD2 ASN 33 2HD2 ASN 33 -12.071 -1.253 2.686 230 1HD2 ASN 33 1HD2 ASN 33 -12.903 -2.771 2.751 231 H ARG 34 H ARG 34 -8.104 -2.050 -0.086 232 HA ARG 34 HA ARG 34 -9.523 -4.086 -1.277 233 1HB ARG 34 1HB ARG 34 -8.437 -1.739 -2.138 234 2HB ARG 34 2HB ARG 34 -7.238 -2.839 -2.791 235 1HG ARG 34 1HG ARG 34 -10.243 -3.133 -3.257 236 2HG ARG 34 2HG ARG 34 -9.159 -2.323 -4.371 237 1HD ARG 34 1HD ARG 34 -7.776 -4.622 -4.166 238 2HD ARG 34 2HD ARG 34 -9.338 -5.261 -3.694 239 HE ARG 34 HE ARG 34 -9.925 -3.794 -5.969 240 1HH1 ARG 34 1HH1 ARG 34 -7.614 -6.347 -5.244 241 2HH1 ARG 34 2HH1 ARG 34 -7.604 -6.972 -6.859 242 1HH2 ARG 34 1HH2 ARG 34 -9.912 -4.619 -8.101 243 2HH2 ARG 34 2HH2 ARG 34 -8.920 -5.982 -8.495 244 H GLY 35 H GLY 35 -6.199 -3.888 -0.090 245 1HA GLY 35 1HA GLY 35 -5.639 -6.547 -1.264 246 2HA GLY 35 2HA GLY 35 -5.236 -6.105 0.383 247 H CYS 36 H CYS 36 -3.771 -4.107 0.658 248 HA CYS 36 HA CYS 36 -1.399 -4.522 -0.624 249 1HB CYS 36 1HB CYS 36 -3.145 -3.196 -2.384 250 2HB CYS 36 2HB CYS 36 -2.053 -1.960 -1.793 251 H CYS 37 H CYS 37 -0.490 -1.716 -0.690 252 HA CYS 37 HA CYS 37 -1.024 -0.994 2.100 253 1HB CYS 37 1HB CYS 37 1.534 -1.315 0.626 254 2HB CYS 37 2HB CYS 37 1.420 0.064 1.702 255 H PHE 38 H PHE 38 -0.983 1.358 2.523 256 HA PHE 38 HA PHE 38 -1.417 2.903 0.064 257 1HB PHE 38 1HB PHE 38 -3.483 2.584 1.396 258 2HB PHE 38 2HB PHE 38 -2.638 2.970 2.882 259 HD1 PHE 38 HD1 PHE 38 -3.974 4.390 -0.247 260 HD2 PHE 38 HD2 PHE 38 -2.336 5.231 3.577 261 HE1 PHE 38 HE1 PHE 38 -4.655 6.794 -0.484 262 HE2 PHE 38 HE2 PHE 38 -3.017 7.635 3.340 263 HZ PHE 38 HZ PHE 38 -4.168 8.388 1.312 264 H ASP 39 H ASP 39 -1.208 5.409 0.620 265 HA ASP 39 HA ASP 39 0.456 6.171 2.684 266 1HB ASP 39 1HB ASP 39 2.213 4.899 1.520 267 2HB ASP 39 2HB ASP 39 1.839 5.695 0.005 268 H SER 40 H SER 40 0.666 8.516 2.641 269 HA SER 40 HA SER 40 -0.263 9.782 0.199 270 1HB SER 40 1HB SER 40 -1.745 11.280 1.476 271 2HB SER 40 2HB SER 40 -2.218 9.608 1.702 272 HG SER 40 HG SER 40 -2.074 10.039 3.793 273 H ARG 41 H ARG 41 2.318 9.334 1.951 274 HA ARG 41 HA ARG 41 3.008 11.721 3.103 275 1HB ARG 41 1HB ARG 41 4.202 9.286 2.871 276 2HB ARG 41 2HB ARG 41 5.143 10.150 1.671 277 1HG ARG 41 1HG ARG 41 6.024 11.673 3.253 278 2HG ARG 41 2HG ARG 41 4.709 11.421 4.384 279 1HD ARG 41 1HD ARG 41 5.679 8.900 4.391 280 2HD ARG 41 2HD ARG 41 7.149 9.716 3.896 281 HE ARG 41 HE ARG 41 5.837 9.907 6.516 282 1HH1 ARG 41 1HH1 ARG 41 8.115 11.417 4.299 283 2HH1 ARG 41 2HH1 ARG 41 8.939 12.297 5.543 284 1HH2 ARG 41 1HH2 ARG 41 6.924 11.068 8.158 285 2HH2 ARG 41 2HH2 ARG 41 8.257 12.097 7.752 286 H ILE 42 H ILE 42 3.327 10.537 -0.289 287 HA ILE 42 HA ILE 42 3.539 13.268 -1.186 288 HB ILE 42 HB ILE 42 5.570 12.217 -2.656 289 1HG1 ILE 42 1HG1 ILE 42 7.171 11.201 -1.068 290 2HG1 ILE 42 2HG1 ILE 42 5.925 11.158 0.164 291 1HG2 ILE 42 1HG2 ILE 42 5.258 14.441 -1.372 292 2HG2 ILE 42 2HG2 ILE 42 6.140 13.625 -0.059 293 3HG2 ILE 42 3HG2 ILE 42 6.906 13.830 -1.652 294 1HD1 ILE 42 1HD1 ILE 42 5.246 9.933 -2.495 295 2HD1 ILE 42 2HD1 ILE 42 6.399 9.060 -1.457 296 3HD1 ILE 42 3HD1 ILE 42 4.764 9.429 -0.857 297 HA PRO 43 HA PRO 43 1.146 11.353 -4.246 298 1HB PRO 43 1HB PRO 43 0.818 13.483 -5.926 299 2HB PRO 43 2HB PRO 43 -0.158 13.235 -4.492 300 1HG PRO 43 1HG PRO 43 2.041 15.163 -4.926 301 2HG PRO 43 2HG PRO 43 0.795 15.178 -3.694 302 1HD PRO 43 1HD PRO 43 3.536 14.403 -3.354 303 2HD PRO 43 2HD PRO 43 2.263 14.309 -2.153 304 H GLY 44 H GLY 44 4.009 13.134 -5.156 305 1HA GLY 44 1HA GLY 44 5.683 12.465 -6.533 306 2HA GLY 44 2HA GLY 44 4.401 12.499 -7.728 307 H VAL 45 H VAL 45 4.730 10.238 -4.928 308 HA VAL 45 HA VAL 45 5.409 8.099 -6.788 309 HB VAL 45 HB VAL 45 6.286 6.976 -5.000 310 1HG1 VAL 45 1HG1 VAL 45 6.705 9.861 -4.930 311 2HG1 VAL 45 2HG1 VAL 45 6.984 9.108 -3.341 312 3HG1 VAL 45 3HG1 VAL 45 7.878 8.532 -4.769 313 1HG2 VAL 45 1HG2 VAL 45 4.248 8.431 -3.317 314 2HG2 VAL 45 2HG2 VAL 45 4.476 6.681 -3.546 315 3HG2 VAL 45 3HG2 VAL 45 5.642 7.611 -2.574 316 HA PRO 46 HA PRO 46 1.520 6.227 -6.502 317 1HB PRO 46 1HB PRO 46 2.010 3.559 -6.172 318 2HB PRO 46 2HB PRO 46 2.159 4.377 -7.715 319 1HG PRO 46 1HG PRO 46 4.296 3.452 -5.894 320 2HG PRO 46 2HG PRO 46 4.406 3.874 -7.591 321 1HD PRO 46 1HD PRO 46 5.256 5.473 -5.368 322 2HD PRO 46 2HD PRO 46 5.259 5.941 -7.057 323 H TRP 47 H TRP 47 0.623 7.303 -4.732 324 HA TRP 47 HA TRP 47 1.011 6.970 -2.161 325 1HB TRP 47 1HB TRP 47 -1.485 7.252 -3.753 326 2HB TRP 47 2HB TRP 47 -1.657 6.874 -2.051 327 HD1 TRP 47 HD1 TRP 47 1.203 9.193 -3.197 328 HE1 TRP 47 HE1 TRP 47 0.858 11.651 -2.301 329 HE3 TRP 47 HE3 TRP 47 -3.469 8.424 -1.343 330 HZ2 TRP 47 HZ2 TRP 47 -1.281 12.968 -0.947 331 HZ3 TRP 47 HZ3 TRP 47 -4.616 10.348 -0.249 332 HH2 TRP 47 HH2 TRP 47 -3.597 12.559 -0.036 333 H CYS 48 H CYS 48 -1.027 4.680 -4.125 334 HA CYS 48 HA CYS 48 -0.863 2.776 -1.947 335 1HB CYS 48 1HB CYS 48 -2.988 3.368 -3.292 336 2HB CYS 48 2HB CYS 48 -2.310 2.355 -4.552 337 H PHE 49 H PHE 49 0.906 1.432 -1.921 338 HA PHE 49 HA PHE 49 1.836 0.427 -4.508 339 1HB PHE 49 1HB PHE 49 4.179 0.612 -3.348 340 2HB PHE 49 2HB PHE 49 3.460 2.116 -3.891 341 HD1 PHE 49 HD1 PHE 49 3.620 -0.051 -0.856 342 HD2 PHE 49 HD2 PHE 49 3.337 3.888 -2.410 343 HE1 PHE 49 HE1 PHE 49 3.812 0.880 1.468 344 HE2 PHE 49 HE2 PHE 49 3.529 4.818 -0.087 345 HZ PHE 49 HZ PHE 49 3.763 3.303 1.824 346 H LYS 50 H LYS 50 3.228 -1.586 -4.242 347 HA LYS 50 HA LYS 50 1.854 -3.443 -2.669 348 1HB LYS 50 1HB LYS 50 4.419 -3.508 -4.254 349 2HB LYS 50 2HB LYS 50 3.910 -4.891 -3.307 350 1HG LYS 50 1HG LYS 50 1.565 -4.141 -4.660 351 2HG LYS 50 2HG LYS 50 2.821 -3.859 -5.849 352 1HD LYS 50 1HD LYS 50 3.477 -6.349 -4.630 353 2HD LYS 50 2HD LYS 50 1.743 -6.396 -4.881 354 1HE LYS 50 1HE LYS 50 2.781 -5.266 -7.267 355 2HE LYS 50 2HE LYS 50 3.902 -6.551 -6.860 356 1HZ LYS 50 1HZ LYS 50 1.860 -7.951 -6.539 357 2HZ LYS 50 2HZ LYS 50 1.014 -6.768 -7.282 358 3HZ LYS 50 3HZ LYS 50 2.213 -7.539 -8.079 359 HA PRO 51 HA PRO 51 3.929 -3.301 1.112 360 1HB PRO 51 1HB PRO 51 3.981 -5.909 1.926 361 2HB PRO 51 2HB PRO 51 2.557 -4.895 2.049 362 1HG PRO 51 1HG PRO 51 3.128 -7.063 0.122 363 2HG PRO 51 2HG PRO 51 1.587 -6.340 0.535 364 1HD PRO 51 1HD PRO 51 3.131 -5.852 -1.832 365 2HD PRO 51 2HD PRO 51 1.648 -5.044 -1.363 366 H LEU 52 H LEU 52 5.941 -2.684 1.548 367 HA LEU 52 HA LEU 52 8.079 -3.258 0.075 368 1HB LEU 52 1HB LEU 52 8.326 -1.651 1.718 369 2HB LEU 52 2HB LEU 52 7.759 -2.706 2.998 370 HG LEU 52 HG LEU 52 10.394 -3.129 1.571 371 1HD1 LEU 52 1HD1 LEU 52 9.813 -1.514 4.064 372 2HD1 LEU 52 2HD1 LEU 52 11.433 -2.086 3.599 373 3HD1 LEU 52 3HD1 LEU 52 10.552 -0.954 2.545 374 1HD2 LEU 52 1HD2 LEU 52 8.905 -4.670 3.458 375 2HD2 LEU 52 2HD2 LEU 52 10.498 -5.007 2.740 376 3HD2 LEU 52 3HD2 LEU 52 10.382 -4.075 4.252 377 H GLN 53 H GLN 53 9.503 -4.914 -0.325 378 HA GLN 53 HA GLN 53 8.669 -7.482 0.309 379 1HB GLN 53 1HB GLN 53 10.928 -8.144 -0.650 380 2HB GLN 53 2HB GLN 53 9.952 -7.127 -1.691 381 1HG GLN 53 1HG GLN 53 11.750 -5.645 0.174 382 2HG GLN 53 2HG GLN 53 12.579 -6.611 -1.030 383 2HE2 GLN 53 2HE2 GLN 53 11.914 -3.636 -0.513 384 1HE2 GLN 53 1HE2 GLN 53 11.429 -3.028 -2.061 385 H GLU 54 H GLU 54 8.414 -7.267 2.703 386 HA GLU 54 HA GLU 54 10.448 -6.694 4.411 387 1HB GLU 54 1HB GLU 54 9.161 -7.942 6.100 388 2HB GLU 54 2HB GLU 54 8.086 -7.001 5.085 389 1HG GLU 54 1HG GLU 54 6.937 -8.910 4.661 390 2HG GLU 54 2HG GLU 54 8.313 -9.463 3.727 391 H ALA 55 H ALA 55 12.503 -7.525 4.231 392 HA ALA 55 HA ALA 55 12.707 -10.450 4.294 393 1HB ALA 55 1HB ALA 55 14.437 -10.426 2.644 394 2HB ALA 55 2HB ALA 55 13.112 -9.442 1.980 395 3HB ALA 55 3HB ALA 55 14.544 -8.650 2.678 396 H GLU 56 H GLU 56 13.892 -11.130 6.011 397 HA GLU 56 HA GLU 56 14.962 -10.929 7.920 398 1HB GLU 56 1HB GLU 56 17.250 -10.936 7.581 399 2HB GLU 56 2HB GLU 56 16.719 -11.072 5.916 400 1HG GLU 56 1HG GLU 56 16.706 -8.351 6.161 401 2HG GLU 56 2HG GLU 56 17.950 -8.735 7.334 402 H CYS 57 H CYS 57 16.906 -9.064 8.918 403 HA CYS 57 HA CYS 57 17.067 -7.160 9.995 404 1HB CYS 57 1HB CYS 57 15.359 -6.152 7.721 405 2HB CYS 57 2HB CYS 57 15.919 -5.103 9.009 406 H THR 58 H THR 58 16.036 -6.234 11.830 407 HA THR 58 HA THR 58 13.134 -6.519 12.012 408 HB THR 58 HB THR 58 13.474 -7.622 14.282 409 HG1 THR 58 HG1 THR 58 15.623 -7.280 14.807 410 1HG2 THR 58 1HG2 THR 58 13.227 -8.960 12.015 411 2HG2 THR 58 2HG2 THR 58 14.972 -9.257 12.200 412 3HG2 THR 58 3HG2 THR 58 13.837 -9.823 13.448 413 H PHE 59 H PHE 59 16.156 -5.468 13.714 414 HA PHE 59 HA PHE 59 14.738 -2.970 14.282 415 1HB PHE 59 1HB PHE 59 14.714 -4.131 16.391 416 2HB PHE 59 2HB PHE 59 16.241 -4.928 16.069 417 HD1 PHE 59 HD1 PHE 59 14.733 -1.663 16.952 418 HD2 PHE 59 HD2 PHE 59 18.274 -3.998 16.818 419 HE1 PHE 59 HE1 PHE 59 15.928 0.070 18.319 420 HE2 PHE 59 HE2 PHE 59 19.469 -2.265 18.185 421 HZ PHE 59 HZ PHE 59 18.282 -0.252 18.920 No H/Q in entry = 421 Start of MODEL 6 1 H GLU 1 H GLU 1 -0.608 -6.422 21.863 2 HA GLU 1 HA GLU 1 0.778 -5.559 23.358 3 1HB GLU 1 1HB GLU 1 0.918 -8.495 23.339 4 2HB GLU 1 2HB GLU 1 2.325 -7.786 24.105 5 1HG GLU 1 1HG GLU 1 0.258 -6.244 25.157 6 2HG GLU 1 2HG GLU 1 -0.500 -7.817 25.011 7 H GLU 2 H GLU 2 2.708 -7.768 21.214 8 HA GLU 2 HA GLU 2 4.551 -5.630 20.782 9 1HB GLU 2 1HB GLU 2 6.551 -6.885 21.517 10 2HB GLU 2 2HB GLU 2 5.463 -6.595 22.860 11 1HG GLU 2 1HG GLU 2 4.687 -9.083 21.613 12 2HG GLU 2 2HG GLU 2 6.422 -9.122 21.855 13 H TYR 3 H TYR 3 3.084 -6.333 18.791 14 HA TYR 3 HA TYR 3 4.817 -7.685 16.999 15 1HB TYR 3 1HB TYR 3 3.459 -9.454 18.484 16 2HB TYR 3 2HB TYR 3 2.074 -8.945 17.539 17 HD1 TYR 3 HD1 TYR 3 2.576 -8.924 14.867 18 HD2 TYR 3 HD2 TYR 3 4.582 -11.349 17.766 19 HE1 TYR 3 HE1 TYR 3 3.216 -10.582 13.048 20 HE2 TYR 3 HE2 TYR 3 5.215 -12.998 15.937 21 HH TYR 3 HH TYR 3 3.911 -12.697 12.708 22 H VAL 4 H VAL 4 4.508 -6.767 15.025 23 HA VAL 4 HA VAL 4 1.986 -6.302 13.923 24 HB VAL 4 HB VAL 4 1.834 -4.575 15.643 25 1HG1 VAL 4 1HG1 VAL 4 4.518 -4.236 15.354 26 2HG1 VAL 4 2HG1 VAL 4 3.907 -2.840 14.434 27 3HG1 VAL 4 3HG1 VAL 4 3.437 -3.058 16.137 28 1HG2 VAL 4 1HG2 VAL 4 1.985 -3.821 12.741 29 2HG2 VAL 4 2HG2 VAL 4 0.571 -3.951 13.814 30 3HG2 VAL 4 3HG2 VAL 4 1.671 -2.558 13.955 31 H GLY 5 H GLY 5 2.911 -7.276 12.110 32 1HA GLY 5 1HA GLY 5 4.902 -7.517 10.732 33 2HA GLY 5 2HA GLY 5 5.157 -5.790 10.884 34 H LEU 6 H LEU 6 1.836 -6.115 10.782 35 HA LEU 6 HA LEU 6 1.812 -5.967 7.847 36 1HB LEU 6 1HB LEU 6 -0.562 -6.686 8.042 37 2HB LEU 6 2HB LEU 6 0.630 -7.895 8.477 38 HG LEU 6 HG LEU 6 -0.186 -6.425 10.832 39 1HD1 LEU 6 1HD1 LEU 6 -2.248 -6.018 9.528 40 2HD1 LEU 6 2HD1 LEU 6 -2.444 -7.776 9.330 41 3HD1 LEU 6 3HD1 LEU 6 -2.517 -7.050 10.953 42 1HD2 LEU 6 1HD2 LEU 6 -0.335 -9.317 9.956 43 2HD2 LEU 6 2HD2 LEU 6 0.865 -8.549 11.023 44 3HD2 LEU 6 3HD2 LEU 6 -0.817 -8.748 11.572 45 H SER 7 H SER 7 2.632 -3.700 9.149 46 HA SER 7 HA SER 7 0.826 -1.850 8.261 47 1HB SER 7 1HB SER 7 0.220 -0.861 10.607 48 2HB SER 7 2HB SER 7 -0.730 -2.193 9.981 49 HG SER 7 HG SER 7 0.536 -3.662 11.278 50 H ALA 8 H ALA 8 2.235 -0.228 7.719 51 HA ALA 8 HA ALA 8 3.755 1.391 8.033 52 1HB ALA 8 1HB ALA 8 4.628 1.917 10.135 53 2HB ALA 8 2HB ALA 8 4.680 0.215 10.654 54 3HB ALA 8 3HB ALA 8 3.122 1.071 10.563 55 H ASN 9 H ASN 9 5.224 -1.440 9.774 56 HA ASN 9 HA ASN 9 7.645 -1.252 8.573 57 1HB ASN 9 1HB ASN 9 6.123 -3.306 10.060 58 2HB ASN 9 2HB ASN 9 7.246 -4.029 8.925 59 2HD2 ASN 9 2HD2 ASN 9 7.786 -4.573 11.394 60 1HD2 ASN 9 1HD2 ASN 9 9.110 -3.667 12.046 61 H GLN 10 H GLN 10 4.588 -2.740 7.454 62 HA GLN 10 HA GLN 10 5.860 -4.052 5.260 63 1HB GLN 10 1HB GLN 10 3.603 -4.602 6.641 64 2HB GLN 10 2HB GLN 10 2.883 -3.657 5.352 65 1HG GLN 10 1HG GLN 10 4.359 -5.192 3.766 66 2HG GLN 10 2HG GLN 10 4.421 -6.261 5.154 67 2HE2 GLN 10 2HE2 GLN 10 3.267 -7.814 3.985 68 1HE2 GLN 10 1HE2 GLN 10 1.552 -7.723 3.755 69 H CYS 11 H CYS 11 4.132 -1.010 5.928 70 HA CYS 11 HA CYS 11 4.403 -0.342 3.088 71 1HB CYS 11 1HB CYS 11 2.618 1.244 4.868 72 2HB CYS 11 2HB CYS 11 2.494 0.915 3.151 73 H ALA 12 H ALA 12 6.705 -0.239 4.634 74 HA ALA 12 HA ALA 12 6.938 2.621 5.279 75 1HB ALA 12 1HB ALA 12 9.045 1.485 6.558 76 2HB ALA 12 2HB ALA 12 7.450 1.714 7.313 77 3HB ALA 12 3HB ALA 12 7.887 0.134 6.619 78 H VAL 13 H VAL 13 7.066 2.203 2.653 79 HA VAL 13 HA VAL 13 9.809 1.552 1.942 80 HB VAL 13 HB VAL 13 7.926 2.492 -0.118 81 1HG1 VAL 13 1HG1 VAL 13 10.141 0.607 0.208 82 2HG1 VAL 13 2HG1 VAL 13 8.793 -0.071 -0.736 83 3HG1 VAL 13 3HG1 VAL 13 9.560 1.452 -1.246 84 1HG2 VAL 13 1HG2 VAL 13 7.281 0.128 1.647 85 2HG2 VAL 13 2HG2 VAL 13 6.212 1.435 1.083 86 3HG2 VAL 13 3HG2 VAL 13 6.765 0.183 -0.056 87 HA PRO 14 HA PRO 14 10.989 5.699 1.667 88 1HB PRO 14 1HB PRO 14 13.036 5.569 -0.139 89 2HB PRO 14 2HB PRO 14 13.219 5.136 1.549 90 1HG PRO 14 1HG PRO 14 13.036 3.363 -0.809 91 2HG PRO 14 2HG PRO 14 13.633 2.995 0.797 92 1HD PRO 14 1HD PRO 14 11.092 2.246 -0.303 93 2HD PRO 14 2HD PRO 14 11.643 1.980 1.339 94 H ALA 15 H ALA 15 9.241 4.248 -0.630 95 HA ALA 15 HA ALA 15 7.819 5.245 -2.064 96 1HB ALA 15 1HB ALA 15 9.350 7.773 -2.401 97 2HB ALA 15 2HB ALA 15 8.721 7.464 -0.764 98 3HB ALA 15 3HB ALA 15 7.607 7.515 -2.151 99 H LYS 16 H LYS 16 11.344 5.334 -2.320 100 HA LYS 16 HA LYS 16 11.229 5.395 -5.214 101 1HB LYS 16 1HB LYS 16 13.658 5.455 -5.088 102 2HB LYS 16 2HB LYS 16 12.956 6.682 -4.053 103 1HG LYS 16 1HG LYS 16 14.384 5.815 -2.480 104 2HG LYS 16 2HG LYS 16 13.112 4.629 -2.258 105 1HD LYS 16 1HD LYS 16 15.017 3.274 -2.570 106 2HD LYS 16 2HD LYS 16 14.300 3.287 -4.169 107 1HE LYS 16 1HE LYS 16 16.072 4.409 -5.080 108 2HE LYS 16 2HE LYS 16 16.131 5.565 -3.765 109 1HZ LYS 16 1HZ LYS 16 17.238 3.870 -2.437 110 2HZ LYS 16 2HZ LYS 16 17.232 2.841 -3.705 111 3HZ LYS 16 3HZ LYS 16 18.089 4.229 -3.783 112 H ASP 17 H ASP 17 10.352 3.144 -3.058 113 HA ASP 17 HA ASP 17 11.495 1.026 -4.701 114 1HB ASP 17 1HB ASP 17 11.822 1.442 -1.883 115 2HB ASP 17 2HB ASP 17 10.739 0.076 -2.056 116 H ARG 18 H ARG 18 8.875 2.696 -4.579 117 HA ARG 18 HA ARG 18 6.928 0.908 -3.597 118 1HB ARG 18 1HB ARG 18 6.451 3.189 -5.567 119 2HB ARG 18 2HB ARG 18 5.318 2.536 -4.401 120 1HG ARG 18 1HG ARG 18 7.932 3.702 -3.413 121 2HG ARG 18 2HG ARG 18 6.640 4.789 -3.883 122 1HD ARG 18 1HD ARG 18 5.291 2.917 -2.310 123 2HD ARG 18 2HD ARG 18 6.844 3.024 -1.507 124 HE ARG 18 HE ARG 18 5.551 5.599 -2.209 125 1HH1 ARG 18 1HH1 ARG 18 6.252 3.198 0.265 126 2HH1 ARG 18 2HH1 ARG 18 5.917 4.271 1.583 127 1HH2 ARG 18 1HH2 ARG 18 5.108 7.015 -0.472 128 2HH2 ARG 18 2HH2 ARG 18 5.261 6.457 1.161 129 H VAL 19 H VAL 19 5.545 -0.507 -4.786 130 HA VAL 19 HA VAL 19 6.519 -1.098 -7.480 131 HB VAL 19 HB VAL 19 4.973 -2.678 -5.424 132 1HG1 VAL 19 1HG1 VAL 19 5.443 -3.222 -8.348 133 2HG1 VAL 19 2HG1 VAL 19 5.337 -4.567 -7.188 134 3HG1 VAL 19 3HG1 VAL 19 3.968 -3.445 -7.377 135 1HG2 VAL 19 1HG2 VAL 19 7.788 -2.486 -6.246 136 2HG2 VAL 19 2HG2 VAL 19 7.069 -3.132 -4.752 137 3HG2 VAL 19 3HG2 VAL 19 7.166 -4.153 -6.207 138 H ASP 20 H ASP 20 4.226 0.805 -5.997 139 HA ASP 20 HA ASP 20 2.284 1.618 -6.541 140 1HB ASP 20 1HB ASP 20 3.349 2.591 -8.435 141 2HB ASP 20 2HB ASP 20 3.517 1.049 -9.250 142 H CYS 21 H CYS 21 0.659 0.196 -5.770 143 HA CYS 21 HA CYS 21 0.188 -2.310 -6.985 144 1HB CYS 21 1HB CYS 21 -0.368 -1.240 -4.559 145 2HB CYS 21 2HB CYS 21 -1.939 -1.094 -5.321 146 H GLY 22 H GLY 22 -0.784 1.007 -7.565 147 1HA GLY 22 1HA GLY 22 -2.106 0.377 -9.977 148 2HA GLY 22 2HA GLY 22 -2.055 1.934 -9.174 149 H TYR 23 H TYR 23 -3.748 2.578 -7.747 150 HA TYR 23 HA TYR 23 -6.154 0.939 -8.038 151 1HB TYR 23 1HB TYR 23 -4.630 1.873 -5.581 152 2HB TYR 23 2HB TYR 23 -6.377 1.950 -5.483 153 HD1 TYR 23 HD1 TYR 23 -7.616 -0.299 -6.273 154 HD2 TYR 23 HD2 TYR 23 -3.582 -0.072 -4.867 155 HE1 TYR 23 HE1 TYR 23 -7.684 -2.765 -5.657 156 HE2 TYR 23 HE2 TYR 23 -3.663 -2.539 -4.256 157 HH TYR 23 HH TYR 23 -5.837 -4.614 -5.431 158 HA PRO 24 HA PRO 24 -7.924 4.818 -8.784 159 1HB PRO 24 1HB PRO 24 -10.573 4.247 -8.434 160 2HB PRO 24 2HB PRO 24 -9.697 3.870 -9.905 161 1HG PRO 24 1HG PRO 24 -10.573 2.046 -7.750 162 2HG PRO 24 2HG PRO 24 -10.091 1.656 -9.389 163 1HD PRO 24 1HD PRO 24 -8.525 1.310 -7.011 164 2HD PRO 24 2HD PRO 24 -8.002 1.030 -8.660 165 H HIS 25 H HIS 25 -10.102 3.615 -6.296 166 HA HIS 25 HA HIS 25 -9.731 6.135 -4.935 167 1HB HIS 25 1HB HIS 25 -11.645 5.505 -3.628 168 2HB HIS 25 2HB HIS 25 -11.990 5.227 -5.323 169 HD1 HIS 25 HD1 HIS 25 -13.766 3.727 -3.476 170 HD2 HIS 25 HD2 HIS 25 -10.040 2.205 -4.656 171 HE1 HIS 25 HE1 HIS 25 -13.883 1.202 -3.128 172 HE2 HIS 25 HE2 HIS 25 -11.584 0.316 -3.922 173 H VAL 26 H VAL 26 -7.530 5.897 -4.216 174 HA VAL 26 HA VAL 26 -7.054 3.700 -2.361 175 HB VAL 26 HB VAL 26 -4.715 4.531 -2.455 176 1HG1 VAL 26 1HG1 VAL 26 -6.028 3.873 -5.114 177 2HG1 VAL 26 2HG1 VAL 26 -4.282 3.774 -4.779 178 3HG1 VAL 26 3HG1 VAL 26 -5.417 2.714 -3.909 179 1HG2 VAL 26 1HG2 VAL 26 -5.832 6.873 -3.415 180 2HG2 VAL 26 2HG2 VAL 26 -4.102 6.451 -3.442 181 3HG2 VAL 26 3HG2 VAL 26 -5.116 6.142 -4.872 182 H THR 27 H THR 27 -6.866 3.974 -0.160 183 HA THR 27 HA THR 27 -6.596 6.653 0.908 184 HB THR 27 HB THR 27 -8.730 6.764 1.919 185 HG1 THR 27 HG1 THR 27 -9.892 4.742 2.289 186 1HG2 THR 27 1HG2 THR 27 -9.163 5.074 -0.600 187 2HG2 THR 27 2HG2 THR 27 -10.468 5.888 0.296 188 3HG2 THR 27 3HG2 THR 27 -9.202 6.851 -0.504 189 HA PRO 28 HA PRO 28 -4.711 4.560 4.149 190 1HB PRO 28 1HB PRO 28 -5.430 5.915 6.411 191 2HB PRO 28 2HB PRO 28 -4.211 6.495 5.293 192 1HG PRO 28 1HG PRO 28 -6.987 7.441 5.663 193 2HG PRO 28 2HG PRO 28 -5.645 8.254 4.883 194 1HD PRO 28 1HD PRO 28 -7.844 6.943 3.590 195 2HD PRO 28 2HD PRO 28 -6.444 7.654 2.812 196 H LYS 29 H LYS 29 -7.058 3.276 3.261 197 HA LYS 29 HA LYS 29 -7.325 1.416 5.304 198 1HB LYS 29 1HB LYS 29 -8.589 3.510 6.247 199 2HB LYS 29 2HB LYS 29 -9.857 3.031 5.137 200 1HG LYS 29 1HG LYS 29 -8.706 0.802 6.753 201 2HG LYS 29 2HG LYS 29 -9.555 2.019 7.684 202 1HD LYS 29 1HD LYS 29 -11.015 1.266 5.229 203 2HD LYS 29 2HD LYS 29 -10.733 -0.106 6.282 204 1HE LYS 29 1HE LYS 29 -11.563 1.552 8.195 205 2HE LYS 29 2HE LYS 29 -12.274 2.437 6.860 206 1HZ LYS 29 1HZ LYS 29 -13.368 0.378 6.194 207 2HZ LYS 29 2HZ LYS 29 -12.755 -0.391 7.497 208 3HZ LYS 29 3HZ LYS 29 -13.809 0.840 7.697 209 H GLU 30 H GLU 30 -8.906 3.128 2.556 210 HA GLU 30 HA GLU 30 -10.223 0.775 1.705 211 1HB GLU 30 1HB GLU 30 -11.150 2.991 1.208 212 2HB GLU 30 2HB GLU 30 -9.708 3.441 0.320 213 1HG GLU 30 1HG GLU 30 -10.328 2.263 -1.553 214 2HG GLU 30 2HG GLU 30 -10.950 0.913 -0.625 215 H CYS 31 H CYS 31 -7.160 2.468 0.928 216 HA CYS 31 HA CYS 31 -6.604 0.846 -1.331 217 1HB CYS 31 1HB CYS 31 -5.527 2.856 -1.472 218 2HB CYS 31 2HB CYS 31 -5.166 2.925 0.242 219 H ASN 32 H ASN 32 -6.207 0.656 2.180 220 HA ASN 32 HA ASN 32 -4.321 -1.509 1.913 221 1HB ASN 32 1HB ASN 32 -5.565 -0.540 4.521 222 2HB ASN 32 2HB ASN 32 -4.004 -1.304 4.290 223 2HD2 ASN 32 2HD2 ASN 32 -5.901 1.605 3.777 224 1HD2 ASN 32 1HD2 ASN 32 -4.589 2.725 3.622 225 H ASN 33 H ASN 33 -7.609 -1.109 1.614 226 HA ASN 33 HA ASN 33 -8.294 -3.455 3.169 227 1HB ASN 33 1HB ASN 33 -9.848 -1.625 3.494 228 2HB ASN 33 2HB ASN 33 -9.929 -1.286 1.777 229 2HD2 ASN 33 2HD2 ASN 33 -12.228 -1.408 2.112 230 1HD2 ASN 33 1HD2 ASN 33 -13.046 -2.934 2.073 231 H ARG 34 H ARG 34 -8.302 -2.025 -0.150 232 HA ARG 34 HA ARG 34 -9.622 -4.040 -1.441 233 1HB ARG 34 1HB ARG 34 -8.518 -1.665 -2.198 234 2HB ARG 34 2HB ARG 34 -7.299 -2.742 -2.849 235 1HG ARG 34 1HG ARG 34 -10.292 -2.984 -3.418 236 2HG ARG 34 2HG ARG 34 -9.144 -2.203 -4.487 237 1HD ARG 34 1HD ARG 34 -7.831 -4.516 -4.300 238 2HD ARG 34 2HD ARG 34 -9.387 -5.143 -3.793 239 HE ARG 34 HE ARG 34 -9.849 -3.592 -6.124 240 1HH1 ARG 34 1HH1 ARG 34 -8.130 -6.527 -5.221 241 2HH1 ARG 34 2HH1 ARG 34 -8.291 -7.255 -6.784 242 1HH2 ARG 34 1HH2 ARG 34 -10.061 -4.552 -8.187 243 2HH2 ARG 34 2HH2 ARG 34 -9.396 -6.124 -8.483 244 H GLY 35 H GLY 35 -6.308 -3.842 -0.199 245 1HA GLY 35 1HA GLY 35 -5.721 -6.480 -1.408 246 2HA GLY 35 2HA GLY 35 -5.345 -6.068 0.253 247 H CYS 36 H CYS 36 -3.851 -4.139 0.620 248 HA CYS 36 HA CYS 36 -1.475 -4.496 -0.634 249 1HB CYS 36 1HB CYS 36 -3.185 -3.167 -2.422 250 2HB CYS 36 2HB CYS 36 -2.122 -1.924 -1.792 251 H CYS 37 H CYS 37 -0.582 -1.681 -0.657 252 HA CYS 37 HA CYS 37 -1.173 -0.989 2.130 253 1HB CYS 37 1HB CYS 37 1.425 -1.227 0.687 254 2HB CYS 37 2HB CYS 37 1.259 0.072 1.851 255 H PHE 38 H PHE 38 -1.172 1.352 2.575 256 HA PHE 38 HA PHE 38 -1.551 2.923 0.122 257 1HB PHE 38 1HB PHE 38 -3.644 2.568 1.410 258 2HB PHE 38 2HB PHE 38 -2.836 2.963 2.914 259 HD1 PHE 38 HD1 PHE 38 -4.041 4.388 -0.277 260 HD2 PHE 38 HD2 PHE 38 -2.653 5.208 3.648 261 HE1 PHE 38 HE1 PHE 38 -4.744 6.785 -0.529 262 HE2 PHE 38 HE2 PHE 38 -3.356 7.604 3.396 263 HZ PHE 38 HZ PHE 38 -4.393 8.364 1.311 264 H ASP 39 H ASP 39 -1.373 5.424 0.711 265 HA ASP 39 HA ASP 39 0.226 6.185 2.821 266 1HB ASP 39 1HB ASP 39 2.043 4.944 1.758 267 2HB ASP 39 2HB ASP 39 1.694 5.664 0.199 268 H SER 40 H SER 40 0.437 8.530 2.785 269 HA SER 40 HA SER 40 -0.458 9.786 0.320 270 1HB SER 40 1HB SER 40 -1.943 11.286 1.551 271 2HB SER 40 2HB SER 40 -2.389 9.626 1.891 272 HG SER 40 HG SER 40 -0.669 10.101 3.789 273 H ARG 41 H ARG 41 2.130 9.324 2.058 274 HA ARG 41 HA ARG 41 2.865 11.701 3.189 275 1HB ARG 41 1HB ARG 41 4.035 9.238 2.870 276 2HB ARG 41 2HB ARG 41 4.994 10.166 1.734 277 1HG ARG 41 1HG ARG 41 4.579 11.565 4.314 278 2HG ARG 41 2HG ARG 41 5.418 10.036 4.490 279 1HD ARG 41 1HD ARG 41 6.636 11.206 2.231 280 2HD ARG 41 2HD ARG 41 6.375 12.562 3.310 281 HE ARG 41 HE ARG 41 7.518 10.189 4.620 282 1HH1 ARG 41 1HH1 ARG 41 8.205 13.204 2.941 283 2HH1 ARG 41 2HH1 ARG 41 9.804 13.350 3.592 284 1HH2 ARG 41 1HH2 ARG 41 9.627 10.382 5.480 285 2HH2 ARG 41 2HH2 ARG 41 10.618 11.734 5.046 286 H ILE 42 H ILE 42 3.442 10.451 -0.176 287 HA ILE 42 HA ILE 42 3.561 13.211 -1.087 288 HB ILE 42 HB ILE 42 5.565 12.090 -2.563 289 1HG1 ILE 42 1HG1 ILE 42 7.157 11.101 -0.944 290 2HG1 ILE 42 2HG1 ILE 42 5.906 11.101 0.284 291 1HG2 ILE 42 1HG2 ILE 42 5.404 13.978 -0.266 292 2HG2 ILE 42 2HG2 ILE 42 7.018 13.412 -0.760 293 3HG2 ILE 42 3HG2 ILE 42 5.966 14.237 -1.935 294 1HD1 ILE 42 1HD1 ILE 42 5.038 9.857 -2.261 295 2HD1 ILE 42 2HD1 ILE 42 6.400 9.021 -1.478 296 3HD1 ILE 42 3HD1 ILE 42 4.876 9.262 -0.591 297 HA PRO 43 HA PRO 43 1.119 11.350 -4.141 298 1HB PRO 43 1HB PRO 43 0.834 13.487 -5.821 299 2HB PRO 43 2HB PRO 43 -0.143 13.261 -4.384 300 1HG PRO 43 1HG PRO 43 2.097 15.138 -4.826 301 2HG PRO 43 2HG PRO 43 0.856 15.182 -3.590 302 1HD PRO 43 1HD PRO 43 3.579 14.347 -3.257 303 2HD PRO 43 2HD PRO 43 2.308 14.281 -2.053 304 H GLY 44 H GLY 44 4.008 13.081 -5.075 305 1HA GLY 44 1HA GLY 44 5.664 12.376 -6.456 306 2HA GLY 44 2HA GLY 44 4.377 12.425 -7.644 307 H VAL 45 H VAL 45 4.838 10.183 -4.831 308 HA VAL 45 HA VAL 45 5.432 8.025 -6.680 309 HB VAL 45 HB VAL 45 6.323 6.924 -4.897 310 1HG1 VAL 45 1HG1 VAL 45 7.126 9.465 -5.154 311 2HG1 VAL 45 2HG1 VAL 45 6.551 9.536 -3.471 312 3HG1 VAL 45 3HG1 VAL 45 7.810 8.365 -3.932 313 1HG2 VAL 45 1HG2 VAL 45 4.226 8.304 -3.221 314 2HG2 VAL 45 2HG2 VAL 45 4.488 6.564 -3.486 315 3HG2 VAL 45 3HG2 VAL 45 5.621 7.490 -2.473 316 HA PRO 46 HA PRO 46 1.529 6.180 -6.401 317 1HB PRO 46 1HB PRO 46 1.994 3.513 -6.028 318 2HB PRO 46 2HB PRO 46 2.165 4.308 -7.581 319 1HG PRO 46 1HG PRO 46 4.276 3.391 -5.726 320 2HG PRO 46 2HG PRO 46 4.406 3.787 -7.428 321 1HD PRO 46 1HD PRO 46 5.248 5.412 -5.218 322 2HD PRO 46 2HD PRO 46 5.271 5.855 -6.914 323 H TRP 47 H TRP 47 0.566 7.249 -4.681 324 HA TRP 47 HA TRP 47 0.943 6.965 -2.090 325 1HB TRP 47 1HB TRP 47 -1.520 7.257 -3.726 326 2HB TRP 47 2HB TRP 47 -1.736 6.873 -2.030 327 HD1 TRP 47 HD1 TRP 47 1.168 9.176 -3.087 328 HE1 TRP 47 HE1 TRP 47 0.815 11.633 -2.192 329 HE3 TRP 47 HE3 TRP 47 -3.560 8.433 -1.371 330 HZ2 TRP 47 HZ2 TRP 47 -1.353 12.961 -0.895 331 HZ3 TRP 47 HZ3 TRP 47 -4.725 10.362 -0.303 332 HH2 TRP 47 HH2 TRP 47 -3.697 12.565 -0.053 333 H CYS 48 H CYS 48 -1.014 4.638 -4.089 334 HA CYS 48 HA CYS 48 -0.924 2.771 -1.870 335 1HB CYS 48 1HB CYS 48 -3.018 3.339 -3.268 336 2HB CYS 48 2HB CYS 48 -2.307 2.323 -4.506 337 H PHE 49 H PHE 49 0.898 1.498 -1.780 338 HA PHE 49 HA PHE 49 1.882 0.443 -4.331 339 1HB PHE 49 1HB PHE 49 4.188 0.641 -3.108 340 2HB PHE 49 2HB PHE 49 3.478 2.144 -3.664 341 HD1 PHE 49 HD1 PHE 49 3.626 -0.032 -0.640 342 HD2 PHE 49 HD2 PHE 49 3.248 3.906 -2.175 343 HE1 PHE 49 HE1 PHE 49 3.752 0.889 1.692 344 HE2 PHE 49 HE2 PHE 49 3.374 4.827 0.156 345 HZ PHE 49 HZ PHE 49 3.625 3.308 2.062 346 H LYS 50 H LYS 50 3.233 -1.578 -4.032 347 HA LYS 50 HA LYS 50 1.825 -3.382 -2.389 348 1HB LYS 50 1HB LYS 50 4.478 -3.804 -3.791 349 2HB LYS 50 2HB LYS 50 3.356 -5.039 -3.259 350 1HG LYS 50 1HG LYS 50 1.610 -3.793 -4.788 351 2HG LYS 50 2HG LYS 50 3.012 -3.032 -5.512 352 1HD LYS 50 1HD LYS 50 2.701 -4.936 -6.873 353 2HD LYS 50 2HD LYS 50 3.960 -5.456 -5.771 354 1HE LYS 50 1HE LYS 50 2.455 -6.779 -4.472 355 2HE LYS 50 2HE LYS 50 1.041 -5.947 -5.088 356 1HZ LYS 50 1HZ LYS 50 2.803 -7.564 -6.789 357 2HZ LYS 50 2HZ LYS 50 1.467 -8.159 -6.063 358 3HZ LYS 50 3HZ LYS 50 1.331 -6.969 -7.173 359 HA PRO 51 HA PRO 51 4.159 -3.347 1.242 360 1HB PRO 51 1HB PRO 51 4.321 -5.971 1.987 361 2HB PRO 51 2HB PRO 51 2.886 -4.994 2.225 362 1HG PRO 51 1HG PRO 51 3.379 -7.103 0.213 363 2HG PRO 51 2HG PRO 51 1.852 -6.426 0.742 364 1HD PRO 51 1HD PRO 51 3.229 -5.848 -1.706 365 2HD PRO 51 2HD PRO 51 1.762 -5.086 -1.124 366 H LEU 52 H LEU 52 6.183 -2.716 1.600 367 HA LEU 52 HA LEU 52 8.241 -3.121 0.002 368 1HB LEU 52 1HB LEU 52 8.511 -1.687 1.816 369 2HB LEU 52 2HB LEU 52 8.119 -2.926 2.992 370 HG LEU 52 HG LEU 52 10.629 -2.998 1.303 371 1HD1 LEU 52 1HD1 LEU 52 10.108 -1.645 3.945 372 2HD1 LEU 52 2HD1 LEU 52 11.728 -2.234 3.500 373 3HD1 LEU 52 3HD1 LEU 52 10.918 -1.011 2.492 374 1HD2 LEU 52 1HD2 LEU 52 9.400 -4.857 3.096 375 2HD2 LEU 52 2HD2 LEU 52 10.925 -5.007 2.189 376 3HD2 LEU 52 3HD2 LEU 52 10.924 -4.285 3.816 377 H GLN 53 H GLN 53 9.918 -4.625 -0.389 378 HA GLN 53 HA GLN 53 9.128 -7.261 -0.328 379 1HB GLN 53 1HB GLN 53 11.518 -5.723 -1.108 380 2HB GLN 53 2HB GLN 53 11.921 -7.332 -0.542 381 1HG GLN 53 1HG GLN 53 11.458 -7.900 -2.726 382 2HG GLN 53 2HG GLN 53 9.815 -7.987 -2.122 383 2HE2 GLN 53 2HE2 GLN 53 9.003 -5.477 -1.827 384 1HE2 GLN 53 1HE2 GLN 53 9.008 -4.596 -3.318 385 H GLU 54 H GLU 54 8.459 -7.726 1.876 386 HA GLU 54 HA GLU 54 9.860 -7.334 4.121 387 1HB GLU 54 1HB GLU 54 8.491 -8.973 5.121 388 2HB GLU 54 2HB GLU 54 7.552 -8.466 3.731 389 1HG GLU 54 1HG GLU 54 8.659 -10.419 2.443 390 2HG GLU 54 2HG GLU 54 9.254 -10.981 3.993 391 H ALA 55 H ALA 55 11.915 -7.819 4.747 392 HA ALA 55 HA ALA 55 13.005 -10.394 3.861 393 1HB ALA 55 1HB ALA 55 14.870 -8.077 4.090 394 2HB ALA 55 2HB ALA 55 14.874 -9.441 2.946 395 3HB ALA 55 3HB ALA 55 13.767 -8.071 2.693 396 H GLU 56 H GLU 56 13.936 -7.528 5.903 397 HA GLU 56 HA GLU 56 15.375 -8.799 7.742 398 1HB GLU 56 1HB GLU 56 13.948 -6.303 7.563 399 2HB GLU 56 2HB GLU 56 13.707 -6.941 9.178 400 1HG GLU 56 1HG GLU 56 16.481 -7.341 8.431 401 2HG GLU 56 2HG GLU 56 16.053 -5.673 8.111 402 H CYS 57 H CYS 57 15.068 -10.468 9.152 403 HA CYS 57 HA CYS 57 12.422 -11.484 9.497 404 1HB CYS 57 1HB CYS 57 13.523 -13.251 10.806 405 2HB CYS 57 2HB CYS 57 14.201 -13.050 9.202 406 H THR 58 H THR 58 11.643 -12.024 11.818 407 HA THR 58 HA THR 58 11.269 -9.723 13.271 408 HB THR 58 HB THR 58 11.152 -12.695 13.968 409 HG1 THR 58 HG1 THR 58 9.718 -11.474 12.361 410 1HG2 THR 58 1HG2 THR 58 10.015 -10.321 15.538 411 2HG2 THR 58 2HG2 THR 58 9.740 -12.043 15.895 412 3HG2 THR 58 3HG2 THR 58 11.364 -11.342 16.093 413 H PHE 59 H PHE 59 11.956 -9.183 15.513 414 HA PHE 59 HA PHE 59 13.563 -8.525 16.873 415 1HB PHE 59 1HB PHE 59 13.559 -11.332 16.728 416 2HB PHE 59 2HB PHE 59 15.243 -10.967 16.411 417 HD1 PHE 59 HD1 PHE 59 12.586 -9.837 18.791 418 HD2 PHE 59 HD2 PHE 59 16.630 -10.997 18.241 419 HE1 PHE 59 HE1 PHE 59 12.994 -9.584 21.255 420 HE2 PHE 59 HE2 PHE 59 17.038 -10.745 20.705 421 HZ PHE 59 HZ PHE 59 15.215 -10.041 22.182 No H/Q in entry = 421 Start of MODEL 7 1 H GLU 1 H GLU 1 8.153 -12.911 16.855 2 HA GLU 1 HA GLU 1 6.771 -14.726 17.789 3 1HB GLU 1 1HB GLU 1 8.386 -13.903 20.219 4 2HB GLU 1 2HB GLU 1 6.795 -14.611 20.412 5 1HG GLU 1 1HG GLU 1 8.317 -16.171 18.481 6 2HG GLU 1 2HG GLU 1 9.264 -15.972 19.942 7 H GLU 2 H GLU 2 6.112 -12.470 16.587 8 HA GLU 2 HA GLU 2 4.060 -11.452 18.214 9 1HB GLU 2 1HB GLU 2 6.577 -10.012 18.251 10 2HB GLU 2 2HB GLU 2 5.365 -9.020 17.464 11 1HG GLU 2 1HG GLU 2 4.026 -8.877 19.374 12 2HG GLU 2 2HG GLU 2 4.542 -10.435 19.989 13 H TYR 3 H TYR 3 6.185 -10.885 15.339 14 HA TYR 3 HA TYR 3 5.718 -10.475 13.212 15 1HB TYR 3 1HB TYR 3 4.128 -12.538 13.984 16 2HB TYR 3 2HB TYR 3 2.846 -11.368 13.742 17 HD1 TYR 3 HD1 TYR 3 5.981 -12.053 11.791 18 HD2 TYR 3 HD2 TYR 3 1.705 -11.930 11.797 19 HE1 TYR 3 HE1 TYR 3 5.956 -12.588 9.306 20 HE2 TYR 3 HE2 TYR 3 1.693 -12.466 9.312 21 HH TYR 3 HH TYR 3 4.585 -12.385 7.438 22 H VAL 4 H VAL 4 3.790 -9.461 11.680 23 HA VAL 4 HA VAL 4 2.582 -7.255 13.172 24 HB VAL 4 HB VAL 4 4.882 -6.758 12.064 25 1HG1 VAL 4 1HG1 VAL 4 4.155 -7.829 9.875 26 2HG1 VAL 4 2HG1 VAL 4 3.125 -6.399 9.623 27 3HG1 VAL 4 3HG1 VAL 4 4.890 -6.212 9.751 28 1HG2 VAL 4 1HG2 VAL 4 2.496 -5.215 12.498 29 2HG2 VAL 4 2HG2 VAL 4 4.198 -4.710 12.619 30 3HG2 VAL 4 3HG2 VAL 4 3.344 -4.593 11.063 31 H GLY 5 H GLY 5 1.481 -5.916 10.942 32 1HA GLY 5 1HA GLY 5 -0.754 -7.571 10.396 33 2HA GLY 5 2HA GLY 5 0.302 -7.509 8.999 34 H LEU 6 H LEU 6 -0.012 -4.846 11.382 35 HA LEU 6 HA LEU 6 -1.928 -3.406 9.871 36 1HB LEU 6 1HB LEU 6 -1.732 -1.763 11.493 37 2HB LEU 6 2HB LEU 6 -1.463 -3.267 12.351 38 HG LEU 6 HG LEU 6 0.090 -1.697 13.204 39 1HD1 LEU 6 1HD1 LEU 6 0.984 -3.954 12.848 40 2HD1 LEU 6 2HD1 LEU 6 1.584 -3.463 11.245 41 3HD1 LEU 6 3HD1 LEU 6 2.250 -2.711 12.714 42 1HD2 LEU 6 1HD2 LEU 6 -0.123 -0.274 11.004 43 2HD2 LEU 6 2HD2 LEU 6 1.323 -0.154 12.036 44 3HD2 LEU 6 3HD2 LEU 6 1.366 -1.139 10.554 45 H SER 7 H SER 7 -1.566 -1.348 8.741 46 HA SER 7 HA SER 7 0.523 -1.612 6.914 47 1HB SER 7 1HB SER 7 -0.263 0.625 6.087 48 2HB SER 7 2HB SER 7 -1.558 -0.542 6.267 49 HG SER 7 HG SER 7 -1.226 1.895 7.509 50 H ALA 8 H ALA 8 2.662 -1.169 7.289 51 HA ALA 8 HA ALA 8 3.581 1.292 8.133 52 1HB ALA 8 1HB ALA 8 3.321 -0.772 10.345 53 2HB ALA 8 2HB ALA 8 2.736 0.909 10.333 54 3HB ALA 8 3HB ALA 8 4.482 0.576 10.419 55 H ASN 9 H ASN 9 4.975 -1.640 9.595 56 HA ASN 9 HA ASN 9 7.405 -1.369 8.525 57 1HB ASN 9 1HB ASN 9 6.339 -3.170 10.193 58 2HB ASN 9 2HB ASN 9 6.232 -4.162 8.752 59 2HD2 ASN 9 2HD2 ASN 9 7.971 -3.881 11.339 60 1HD2 ASN 9 1HD2 ASN 9 9.584 -4.183 10.786 61 H GLN 10 H GLN 10 4.624 -3.315 7.209 62 HA GLN 10 HA GLN 10 6.026 -4.161 4.940 63 1HB GLN 10 1HB GLN 10 3.653 -4.713 4.108 64 2HB GLN 10 2HB GLN 10 4.163 -5.482 5.598 65 1HG GLN 10 1HG GLN 10 2.987 -2.911 6.243 66 2HG GLN 10 2HG GLN 10 1.894 -3.772 5.179 67 2HE2 GLN 10 2HE2 GLN 10 1.040 -5.762 5.778 68 1HE2 GLN 10 1HE2 GLN 10 1.015 -6.322 7.416 69 H CYS 11 H CYS 11 4.195 -1.247 5.774 70 HA CYS 11 HA CYS 11 4.423 -0.377 2.988 71 1HB CYS 11 1HB CYS 11 2.743 1.144 4.908 72 2HB CYS 11 2HB CYS 11 2.526 0.862 3.192 73 H ALA 12 H ALA 12 6.766 -0.432 4.528 74 HA ALA 12 HA ALA 12 7.082 2.388 5.302 75 1HB ALA 12 1HB ALA 12 9.208 0.822 6.342 76 2HB ALA 12 2HB ALA 12 7.875 1.584 7.243 77 3HB ALA 12 3HB ALA 12 7.711 -0.089 6.658 78 H VAL 13 H VAL 13 7.150 2.102 2.655 79 HA VAL 13 HA VAL 13 9.884 1.467 1.879 80 HB VAL 13 HB VAL 13 7.962 2.427 -0.133 81 1HG1 VAL 13 1HG1 VAL 13 10.197 0.552 0.126 82 2HG1 VAL 13 2HG1 VAL 13 8.843 -0.110 -0.822 83 3HG1 VAL 13 3HG1 VAL 13 9.596 1.430 -1.301 84 1HG2 VAL 13 1HG2 VAL 13 7.322 0.108 1.666 85 2HG2 VAL 13 2HG2 VAL 13 6.242 1.328 0.949 86 3HG2 VAL 13 3HG2 VAL 13 6.900 0.019 -0.061 87 HA PRO 14 HA PRO 14 11.001 5.636 1.689 88 1HB PRO 14 1HB PRO 14 13.037 5.573 -0.133 89 2HB PRO 14 2HB PRO 14 13.238 5.108 1.545 90 1HG PRO 14 1HG PRO 14 13.064 3.382 -0.849 91 2HG PRO 14 2HG PRO 14 13.678 2.990 0.745 92 1HD PRO 14 1HD PRO 14 11.140 2.226 -0.352 93 2HD PRO 14 2HD PRO 14 11.706 1.934 1.280 94 H ALA 15 H ALA 15 9.227 4.225 -0.595 95 HA ALA 15 HA ALA 15 7.793 5.221 -2.010 96 1HB ALA 15 1HB ALA 15 8.773 7.443 -0.685 97 2HB ALA 15 2HB ALA 15 7.504 7.464 -1.933 98 3HB ALA 15 3HB ALA 15 9.197 7.788 -2.379 99 H LYS 16 H LYS 16 11.303 5.299 -2.277 100 HA LYS 16 HA LYS 16 11.181 5.474 -5.169 101 1HB LYS 16 1HB LYS 16 13.601 5.554 -5.058 102 2HB LYS 16 2HB LYS 16 12.909 6.719 -3.948 103 1HG LYS 16 1HG LYS 16 14.599 5.675 -2.656 104 2HG LYS 16 2HG LYS 16 13.134 4.871 -2.128 105 1HD LYS 16 1HD LYS 16 13.781 2.852 -2.992 106 2HD LYS 16 2HD LYS 16 14.358 3.567 -4.484 107 1HE LYS 16 1HE LYS 16 16.511 3.990 -3.619 108 2HE LYS 16 2HE LYS 16 15.952 4.037 -1.958 109 1HZ LYS 16 1HZ LYS 16 15.398 1.589 -2.389 110 2HZ LYS 16 2HZ LYS 16 16.444 1.709 -3.637 111 3HZ LYS 16 3HZ LYS 16 16.953 2.005 -2.114 112 H ASP 17 H ASP 17 10.335 3.150 -3.066 113 HA ASP 17 HA ASP 17 11.456 1.090 -4.793 114 1HB ASP 17 1HB ASP 17 11.832 1.416 -1.972 115 2HB ASP 17 2HB ASP 17 10.741 0.059 -2.166 116 H ARG 18 H ARG 18 8.837 2.742 -4.595 117 HA ARG 18 HA ARG 18 6.907 0.922 -3.634 118 1HB ARG 18 1HB ARG 18 6.385 3.249 -5.535 119 2HB ARG 18 2HB ARG 18 5.285 2.570 -4.353 120 1HG ARG 18 1HG ARG 18 7.920 3.707 -3.397 121 2HG ARG 18 2HG ARG 18 6.635 4.815 -3.834 122 1HD ARG 18 1HD ARG 18 5.309 2.902 -2.264 123 2HD ARG 18 2HD ARG 18 6.864 3.054 -1.471 124 HE ARG 18 HE ARG 18 5.483 5.585 -2.178 125 1HH1 ARG 18 1HH1 ARG 18 6.324 3.236 0.304 126 2HH1 ARG 18 2HH1 ARG 18 5.983 4.312 1.618 127 1HH2 ARG 18 1HH2 ARG 18 5.033 7.004 -0.445 128 2HH2 ARG 18 2HH2 ARG 18 5.244 6.470 1.189 129 H VAL 19 H VAL 19 5.626 -0.557 -4.810 130 HA VAL 19 HA VAL 19 6.530 -1.038 -7.540 131 HB VAL 19 HB VAL 19 4.927 -2.687 -5.576 132 1HG1 VAL 19 1HG1 VAL 19 5.580 -3.095 -8.471 133 2HG1 VAL 19 2HG1 VAL 19 5.596 -4.506 -7.386 134 3HG1 VAL 19 3HG1 VAL 19 4.117 -3.530 -7.554 135 1HG2 VAL 19 1HG2 VAL 19 7.816 -2.526 -6.312 136 2HG2 VAL 19 2HG2 VAL 19 7.048 -2.886 -4.747 137 3HG2 VAL 19 3HG2 VAL 19 7.130 -4.141 -6.007 138 H ASP 20 H ASP 20 4.218 0.794 -5.974 139 HA ASP 20 HA ASP 20 2.281 1.626 -6.496 140 1HB ASP 20 1HB ASP 20 3.336 2.629 -8.386 141 2HB ASP 20 2HB ASP 20 3.475 1.102 -9.234 142 H CYS 21 H CYS 21 0.667 0.189 -5.735 143 HA CYS 21 HA CYS 21 0.194 -2.305 -6.962 144 1HB CYS 21 1HB CYS 21 -0.386 -1.225 -4.542 145 2HB CYS 21 2HB CYS 21 -1.952 -1.098 -5.319 146 H GLY 22 H GLY 22 -0.785 1.013 -7.544 147 1HA GLY 22 1HA GLY 22 -2.088 0.378 -9.967 148 2HA GLY 22 2HA GLY 22 -2.039 1.936 -9.168 149 H TYR 23 H TYR 23 -3.728 2.573 -7.720 150 HA TYR 23 HA TYR 23 -6.139 0.943 -8.031 151 1HB TYR 23 1HB TYR 23 -4.622 1.875 -5.570 152 2HB TYR 23 2HB TYR 23 -6.370 1.958 -5.478 153 HD1 TYR 23 HD1 TYR 23 -7.617 -0.285 -6.259 154 HD2 TYR 23 HD2 TYR 23 -3.579 -0.076 -4.861 155 HE1 TYR 23 HE1 TYR 23 -7.695 -2.751 -5.642 156 HE2 TYR 23 HE2 TYR 23 -3.671 -2.541 -4.249 157 HH TYR 23 HH TYR 23 -5.815 -4.610 -5.421 158 HA PRO 24 HA PRO 24 -7.903 4.823 -8.784 159 1HB PRO 24 1HB PRO 24 -10.554 4.259 -8.435 160 2HB PRO 24 2HB PRO 24 -9.678 3.876 -9.903 161 1HG PRO 24 1HG PRO 24 -10.559 2.059 -7.745 162 2HG PRO 24 2HG PRO 24 -10.076 1.665 -9.382 163 1HD PRO 24 1HD PRO 24 -8.513 1.321 -7.003 164 2HD PRO 24 2HD PRO 24 -7.990 1.036 -8.651 165 H HIS 25 H HIS 25 -10.103 3.646 -6.306 166 HA HIS 25 HA HIS 25 -9.716 6.163 -4.947 167 1HB HIS 25 1HB HIS 25 -11.639 5.551 -3.648 168 2HB HIS 25 2HB HIS 25 -11.979 5.262 -5.342 169 HD1 HIS 25 HD1 HIS 25 -13.765 3.785 -3.479 170 HD2 HIS 25 HD2 HIS 25 -10.049 2.235 -4.655 171 HE1 HIS 25 HE1 HIS 25 -13.896 1.263 -3.116 172 HE2 HIS 25 HE2 HIS 25 -11.603 0.360 -3.908 173 H VAL 26 H VAL 26 -7.516 5.910 -4.226 174 HA VAL 26 HA VAL 26 -7.056 3.714 -2.366 175 HB VAL 26 HB VAL 26 -4.714 4.547 -2.448 176 1HG1 VAL 26 1HG1 VAL 26 -6.006 3.884 -5.116 177 2HG1 VAL 26 2HG1 VAL 26 -4.266 3.770 -4.756 178 3HG1 VAL 26 3HG1 VAL 26 -5.422 2.723 -3.898 179 1HG2 VAL 26 1HG2 VAL 26 -5.552 6.924 -3.151 180 2HG2 VAL 26 2HG2 VAL 26 -4.009 6.306 -3.789 181 3HG2 VAL 26 3HG2 VAL 26 -5.472 6.262 -4.801 182 H THR 27 H THR 27 -6.861 3.986 -0.164 183 HA THR 27 HA THR 27 -6.604 6.666 0.906 184 HB THR 27 HB THR 27 -8.738 6.771 1.908 185 HG1 THR 27 HG1 THR 27 -9.914 4.710 2.219 186 1HG2 THR 27 1HG2 THR 27 -9.160 5.054 -0.594 187 2HG2 THR 27 2HG2 THR 27 -10.473 5.859 0.299 188 3HG2 THR 27 3HG2 THR 27 -9.221 6.831 -0.512 189 HA PRO 28 HA PRO 28 -4.702 4.580 4.143 190 1HB PRO 28 1HB PRO 28 -5.420 5.935 6.405 191 2HB PRO 28 2HB PRO 28 -4.205 6.517 5.283 192 1HG PRO 28 1HG PRO 28 -6.983 7.457 5.659 193 2HG PRO 28 2HG PRO 28 -5.645 8.272 4.874 194 1HD PRO 28 1HD PRO 28 -7.844 6.954 3.588 195 2HD PRO 28 2HD PRO 28 -6.447 7.668 2.806 196 H LYS 29 H LYS 29 -7.032 3.276 3.260 197 HA LYS 29 HA LYS 29 -7.296 1.426 5.311 198 1HB LYS 29 1HB LYS 29 -8.576 3.522 6.236 199 2HB LYS 29 2HB LYS 29 -9.840 3.017 5.132 200 1HG LYS 29 1HG LYS 29 -8.924 0.651 6.475 201 2HG LYS 29 2HG LYS 29 -9.123 1.883 7.705 202 1HD LYS 29 1HD LYS 29 -11.398 2.202 6.078 203 2HD LYS 29 2HD LYS 29 -11.174 0.465 6.133 204 1HE LYS 29 1HE LYS 29 -11.327 0.401 8.527 205 2HE LYS 29 2HE LYS 29 -11.060 2.126 8.679 206 1HZ LYS 29 1HZ LYS 29 -13.360 1.250 7.148 207 2HZ LYS 29 2HZ LYS 29 -13.434 1.115 8.774 208 3HZ LYS 29 3HZ LYS 29 -13.181 2.575 8.086 209 H GLU 30 H GLU 30 -8.943 3.118 2.582 210 HA GLU 30 HA GLU 30 -10.228 0.757 1.732 211 1HB GLU 30 1HB GLU 30 -11.165 2.958 1.213 212 2HB GLU 30 2HB GLU 30 -9.716 3.423 0.344 213 1HG GLU 30 1HG GLU 30 -10.397 2.367 -1.555 214 2HG GLU 30 2HG GLU 30 -10.782 0.893 -0.689 215 H CYS 31 H CYS 31 -7.198 2.494 0.869 216 HA CYS 31 HA CYS 31 -6.630 0.858 -1.357 217 1HB CYS 31 1HB CYS 31 -5.526 2.847 -1.495 218 2HB CYS 31 2HB CYS 31 -5.197 2.928 0.225 219 H ASN 32 H ASN 32 -6.138 0.696 2.163 220 HA ASN 32 HA ASN 32 -4.316 -1.511 1.867 221 1HB ASN 32 1HB ASN 32 -3.663 -0.986 4.009 222 2HB ASN 32 2HB ASN 32 -4.576 0.491 3.774 223 2HD2 ASN 32 2HD2 ASN 32 -4.086 -2.006 5.799 224 1HD2 ASN 32 1HD2 ASN 32 -5.597 -2.081 6.642 225 H ASN 33 H ASN 33 -7.583 -1.098 1.567 226 HA ASN 33 HA ASN 33 -8.285 -3.417 3.161 227 1HB ASN 33 1HB ASN 33 -9.819 -1.576 3.497 228 2HB ASN 33 2HB ASN 33 -9.905 -1.230 1.781 229 2HD2 ASN 33 2HD2 ASN 33 -10.881 -3.364 4.361 230 1HD2 ASN 33 1HD2 ASN 33 -12.179 -4.169 3.544 231 H ARG 34 H ARG 34 -8.268 -2.014 -0.164 232 HA ARG 34 HA ARG 34 -9.637 -4.028 -1.428 233 1HB ARG 34 1HB ARG 34 -8.555 -1.659 -2.215 234 2HB ARG 34 2HB ARG 34 -7.329 -2.729 -2.865 235 1HG ARG 34 1HG ARG 34 -10.321 -3.008 -3.416 236 2HG ARG 34 2HG ARG 34 -9.189 -2.217 -4.495 237 1HD ARG 34 1HD ARG 34 -7.852 -4.536 -4.254 238 2HD ARG 34 2HD ARG 34 -9.436 -5.152 -3.823 239 HE ARG 34 HE ARG 34 -9.706 -3.548 -6.178 240 1HH1 ARG 34 1HH1 ARG 34 -8.323 -6.617 -5.152 241 2HH1 ARG 34 2HH1 ARG 34 -8.481 -7.355 -6.711 242 1HH2 ARG 34 1HH2 ARG 34 -9.915 -4.522 -8.235 243 2HH2 ARG 34 2HH2 ARG 34 -9.393 -6.155 -8.476 244 H GLY 35 H GLY 35 -6.317 -3.839 -0.212 245 1HA GLY 35 1HA GLY 35 -5.734 -6.468 -1.443 246 2HA GLY 35 2HA GLY 35 -5.365 -6.078 0.225 247 H CYS 36 H CYS 36 -3.881 -4.138 0.617 248 HA CYS 36 HA CYS 36 -1.493 -4.487 -0.613 249 1HB CYS 36 1HB CYS 36 -3.190 -3.147 -2.411 250 2HB CYS 36 2HB CYS 36 -2.120 -1.915 -1.773 251 H CYS 37 H CYS 37 -0.595 -1.677 -0.618 252 HA CYS 37 HA CYS 37 -1.223 -0.986 2.160 253 1HB CYS 37 1HB CYS 37 1.397 -1.214 0.751 254 2HB CYS 37 2HB CYS 37 1.211 0.066 1.934 255 H PHE 38 H PHE 38 -1.246 1.350 2.605 256 HA PHE 38 HA PHE 38 -1.591 2.921 0.148 257 1HB PHE 38 1HB PHE 38 -3.688 2.585 1.429 258 2HB PHE 38 2HB PHE 38 -2.882 2.971 2.936 259 HD1 PHE 38 HD1 PHE 38 -4.095 4.405 -0.244 260 HD2 PHE 38 HD2 PHE 38 -2.657 5.219 3.664 261 HE1 PHE 38 HE1 PHE 38 -4.779 6.807 -0.493 262 HE2 PHE 38 HE2 PHE 38 -3.341 7.621 3.416 263 HZ PHE 38 HZ PHE 38 -4.394 8.386 1.340 264 H ASP 39 H ASP 39 -1.392 5.420 0.719 265 HA ASP 39 HA ASP 39 0.187 6.195 2.832 266 1HB ASP 39 1HB ASP 39 1.981 4.876 1.763 267 2HB ASP 39 2HB ASP 39 1.707 5.686 0.233 268 H SER 40 H SER 40 0.425 8.537 2.762 269 HA SER 40 HA SER 40 -0.411 9.761 0.261 270 1HB SER 40 1HB SER 40 -1.905 11.294 1.435 271 2HB SER 40 2HB SER 40 -2.370 9.645 1.806 272 HG SER 40 HG SER 40 -0.484 10.627 3.606 273 H ARG 41 H ARG 41 2.153 9.298 2.007 274 HA ARG 41 HA ARG 41 2.906 11.658 3.151 275 1HB ARG 41 1HB ARG 41 4.063 9.211 2.853 276 2HB ARG 41 2HB ARG 41 4.991 10.085 1.650 277 1HG ARG 41 1HG ARG 41 4.703 11.589 4.182 278 2HG ARG 41 2HG ARG 41 5.504 10.045 4.400 279 1HD ARG 41 1HD ARG 41 7.390 11.176 3.751 280 2HD ARG 41 2HD ARG 41 6.776 10.940 2.126 281 HE ARG 41 HE ARG 41 5.631 13.311 3.362 282 1HH1 ARG 41 1HH1 ARG 41 8.487 12.088 1.711 283 2HH1 ARG 41 2HH1 ARG 41 8.973 13.645 1.127 284 1HH2 ARG 41 1HH2 ARG 41 6.271 15.365 2.592 285 2HH2 ARG 41 2HH2 ARG 41 7.704 15.521 1.632 286 H ILE 42 H ILE 42 3.432 10.453 -0.237 287 HA ILE 42 HA ILE 42 3.548 13.217 -1.119 288 HB ILE 42 HB ILE 42 5.572 12.147 -2.598 289 1HG1 ILE 42 1HG1 ILE 42 7.169 11.142 -0.997 290 2HG1 ILE 42 2HG1 ILE 42 5.919 11.111 0.231 291 1HG2 ILE 42 1HG2 ILE 42 5.364 14.397 -1.498 292 2HG2 ILE 42 2HG2 ILE 42 5.971 13.648 -0.001 293 3HG2 ILE 42 3HG2 ILE 42 6.993 13.681 -1.458 294 1HD1 ILE 42 1HD1 ILE 42 5.080 9.899 -2.344 295 2HD1 ILE 42 2HD1 ILE 42 6.429 9.057 -1.544 296 3HD1 ILE 42 3HD1 ILE 42 4.887 9.288 -0.684 297 HA PRO 43 HA PRO 43 1.146 11.355 -4.203 298 1HB PRO 43 1HB PRO 43 0.858 13.497 -5.876 299 2HB PRO 43 2HB PRO 43 -0.128 13.258 -4.447 300 1HG PRO 43 1HG PRO 43 2.102 15.154 -4.865 301 2HG PRO 43 2HG PRO 43 0.852 15.183 -3.638 302 1HD PRO 43 1HD PRO 43 3.579 14.365 -3.290 303 2HD PRO 43 2HD PRO 43 2.300 14.286 -2.094 304 H GLY 44 H GLY 44 4.001 13.149 -5.148 305 1HA GLY 44 1HA GLY 44 5.668 12.496 -6.537 306 2HA GLY 44 2HA GLY 44 4.371 12.449 -7.714 307 H VAL 45 H VAL 45 4.529 10.270 -4.874 308 HA VAL 45 HA VAL 45 5.366 8.096 -6.646 309 HB VAL 45 HB VAL 45 6.318 7.103 -4.852 310 1HG1 VAL 45 1HG1 VAL 45 6.197 10.004 -3.961 311 2HG1 VAL 45 2HG1 VAL 45 7.317 8.783 -3.311 312 3HG1 VAL 45 3HG1 VAL 45 7.415 9.258 -5.024 313 1HG2 VAL 45 1HG2 VAL 45 4.132 8.349 -3.170 314 2HG2 VAL 45 2HG2 VAL 45 4.416 6.629 -3.526 315 3HG2 VAL 45 3HG2 VAL 45 5.531 7.512 -2.456 316 HA PRO 46 HA PRO 46 1.501 6.176 -6.360 317 1HB PRO 46 1HB PRO 46 2.032 3.523 -5.975 318 2HB PRO 46 2HB PRO 46 2.179 4.314 -7.532 319 1HG PRO 46 1HG PRO 46 4.317 3.460 -5.677 320 2HG PRO 46 2HG PRO 46 4.434 3.850 -7.381 321 1HD PRO 46 1HD PRO 46 5.239 5.506 -5.182 322 2HD PRO 46 2HD PRO 46 5.248 5.941 -6.880 323 H TRP 47 H TRP 47 0.563 7.265 -4.622 324 HA TRP 47 HA TRP 47 0.950 6.966 -2.035 325 1HB TRP 47 1HB TRP 47 -1.537 7.243 -3.647 326 2HB TRP 47 2HB TRP 47 -1.716 6.897 -1.939 327 HD1 TRP 47 HD1 TRP 47 1.173 9.168 -3.094 328 HE1 TRP 47 HE1 TRP 47 0.840 11.646 -2.250 329 HE3 TRP 47 HE3 TRP 47 -3.533 8.480 -1.297 330 HZ2 TRP 47 HZ2 TRP 47 -1.307 13.010 -0.955 331 HZ3 TRP 47 HZ3 TRP 47 -4.678 10.435 -0.258 332 HH2 TRP 47 HH2 TRP 47 -3.640 12.641 -0.072 333 H CYS 48 H CYS 48 -1.012 4.650 -4.040 334 HA CYS 48 HA CYS 48 -0.927 2.774 -1.829 335 1HB CYS 48 1HB CYS 48 -3.016 3.343 -3.227 336 2HB CYS 48 2HB CYS 48 -2.300 2.342 -4.474 337 H PHE 49 H PHE 49 0.872 1.472 -1.734 338 HA PHE 49 HA PHE 49 1.869 0.426 -4.282 339 1HB PHE 49 1HB PHE 49 4.177 0.639 -3.071 340 2HB PHE 49 2HB PHE 49 3.460 2.138 -3.627 341 HD1 PHE 49 HD1 PHE 49 3.616 -0.031 -0.597 342 HD2 PHE 49 HD2 PHE 49 3.245 3.904 -2.142 343 HE1 PHE 49 HE1 PHE 49 3.750 0.896 1.732 344 HE2 PHE 49 HE2 PHE 49 3.379 4.831 0.186 345 HZ PHE 49 HZ PHE 49 3.630 3.316 2.096 346 H LYS 50 H LYS 50 3.204 -1.597 -3.987 347 HA LYS 50 HA LYS 50 1.811 -3.397 -2.337 348 1HB LYS 50 1HB LYS 50 4.478 -3.802 -3.720 349 2HB LYS 50 2HB LYS 50 3.370 -5.047 -3.181 350 1HG LYS 50 1HG LYS 50 1.608 -3.893 -4.727 351 2HG LYS 50 2HG LYS 50 2.966 -3.034 -5.427 352 1HD LYS 50 1HD LYS 50 2.860 -4.902 -6.832 353 2HD LYS 50 2HD LYS 50 4.044 -5.442 -5.659 354 1HE LYS 50 1HE LYS 50 2.493 -6.853 -4.540 355 2HE LYS 50 2HE LYS 50 1.102 -5.990 -5.166 356 1HZ LYS 50 1HZ LYS 50 1.776 -6.804 -7.388 357 2HZ LYS 50 2HZ LYS 50 2.905 -7.746 -6.676 358 3HZ LYS 50 3HZ LYS 50 1.321 -7.987 -6.359 359 HA PRO 51 HA PRO 51 4.093 -3.286 1.324 360 1HB PRO 51 1HB PRO 51 4.150 -5.890 2.150 361 2HB PRO 51 2HB PRO 51 2.749 -4.854 2.342 362 1HG PRO 51 1HG PRO 51 3.185 -7.041 0.401 363 2HG PRO 51 2HG PRO 51 1.678 -6.292 0.891 364 1HD PRO 51 1HD PRO 51 3.102 -5.840 -1.558 365 2HD PRO 51 2HD PRO 51 1.658 -5.008 -1.016 366 H LEU 52 H LEU 52 6.130 -2.625 1.513 367 HA LEU 52 HA LEU 52 8.171 -3.265 -0.024 368 1HB LEU 52 1HB LEU 52 8.333 -1.638 1.718 369 2HB LEU 52 2HB LEU 52 8.187 -2.861 2.965 370 HG LEU 52 HG LEU 52 10.515 -2.608 1.040 371 1HD1 LEU 52 1HD1 LEU 52 10.265 -0.736 2.706 372 2HD1 LEU 52 2HD1 LEU 52 10.483 -1.947 3.992 373 3HD1 LEU 52 3HD1 LEU 52 11.784 -1.658 2.812 374 1HD2 LEU 52 1HD2 LEU 52 9.725 -4.668 3.000 375 2HD2 LEU 52 2HD2 LEU 52 10.790 -4.772 1.577 376 3HD2 LEU 52 3HD2 LEU 52 11.415 -4.121 3.112 377 H GLN 53 H GLN 53 9.474 -4.967 -0.553 378 HA GLN 53 HA GLN 53 8.674 -7.507 0.226 379 1HB GLN 53 1HB GLN 53 10.762 -8.246 -0.982 380 2HB GLN 53 2HB GLN 53 9.746 -7.166 -1.916 381 1HG GLN 53 1HG GLN 53 11.684 -5.670 -0.285 382 2HG GLN 53 2HG GLN 53 12.488 -6.819 -1.337 383 2HE2 GLN 53 2HE2 GLN 53 11.028 -3.808 -1.078 384 1HE2 GLN 53 1HE2 GLN 53 10.916 -3.375 -2.751 385 H GLU 54 H GLU 54 8.683 -7.307 2.616 386 HA GLU 54 HA GLU 54 10.813 -6.672 4.139 387 1HB GLU 54 1HB GLU 54 9.682 -7.717 5.916 388 2HB GLU 54 2HB GLU 54 8.388 -7.389 4.781 389 1HG GLU 54 1HG GLU 54 8.745 -9.760 3.853 390 2HG GLU 54 2HG GLU 54 9.824 -10.047 5.204 391 H ALA 55 H ALA 55 12.884 -7.415 4.230 392 HA ALA 55 HA ALA 55 13.369 -10.245 4.233 393 1HB ALA 55 1HB ALA 55 13.591 -10.312 1.964 394 2HB ALA 55 2HB ALA 55 15.188 -9.605 2.310 395 3HB ALA 55 3HB ALA 55 13.834 -8.553 1.831 396 H GLU 56 H GLU 56 14.381 -10.122 6.216 397 HA GLU 56 HA GLU 56 15.869 -9.630 7.719 398 1HB GLU 56 1HB GLU 56 17.336 -10.326 5.639 399 2HB GLU 56 2HB GLU 56 17.797 -8.636 5.606 400 1HG GLU 56 1HG GLU 56 18.482 -8.810 8.033 401 2HG GLU 56 2HG GLU 56 18.100 -10.521 7.991 402 H CYS 57 H CYS 57 14.747 -7.905 8.738 403 HA CYS 57 HA CYS 57 16.076 -5.385 8.495 404 1HB CYS 57 1HB CYS 57 14.460 -5.155 6.689 405 2HB CYS 57 2HB CYS 57 13.148 -5.590 7.766 406 H THR 58 H THR 58 12.874 -6.741 9.601 407 HA THR 58 HA THR 58 12.697 -5.410 11.981 408 HB THR 58 HB THR 58 10.829 -6.684 11.162 409 HG1 THR 58 HG1 THR 58 10.432 -7.561 13.181 410 1HG2 THR 58 1HG2 THR 58 12.769 -8.583 10.353 411 2HG2 THR 58 2HG2 THR 58 11.858 -9.395 11.649 412 3HG2 THR 58 3HG2 THR 58 11.003 -8.764 10.221 413 H PHE 59 H PHE 59 14.543 -8.414 11.270 414 HA PHE 59 HA PHE 59 15.808 -8.032 13.891 415 1HB PHE 59 1HB PHE 59 14.148 -10.069 13.380 416 2HB PHE 59 2HB PHE 59 15.471 -10.691 12.414 417 HD1 PHE 59 HD1 PHE 59 17.758 -10.946 13.616 418 HD2 PHE 59 HD2 PHE 59 14.062 -10.531 15.659 419 HE1 PHE 59 HE1 PHE 59 18.780 -11.962 15.672 420 HE2 PHE 59 HE2 PHE 59 15.083 -11.547 17.714 421 HZ PHE 59 HZ PHE 59 17.430 -12.251 17.696 No H/Q in entry = 421 Start of MODEL 8 1 H GLU 1 H GLU 1 11.897 -14.968 12.514 2 HA GLU 1 HA GLU 1 10.752 -16.882 13.706 3 1HB GLU 1 1HB GLU 1 13.445 -16.941 14.794 4 2HB GLU 1 2HB GLU 1 12.303 -16.654 16.092 5 1HG GLU 1 1HG GLU 1 11.084 -18.667 15.625 6 2HG GLU 1 2HG GLU 1 11.801 -18.837 14.035 7 H GLU 2 H GLU 2 10.224 -14.252 13.072 8 HA GLU 2 HA GLU 2 8.766 -13.401 15.208 9 1HB GLU 2 1HB GLU 2 11.427 -12.824 15.749 10 2HB GLU 2 2HB GLU 2 10.870 -11.320 15.044 11 1HG GLU 2 1HG GLU 2 9.560 -10.819 16.850 12 2HG GLU 2 2HG GLU 2 8.922 -12.447 16.957 13 H TYR 3 H TYR 3 7.539 -13.442 13.108 14 HA TYR 3 HA TYR 3 7.719 -10.804 11.854 15 1HB TYR 3 1HB TYR 3 8.859 -12.366 10.330 16 2HB TYR 3 2HB TYR 3 7.678 -13.623 10.639 17 HD1 TYR 3 HD1 TYR 3 8.108 -10.287 9.030 18 HD2 TYR 3 HD2 TYR 3 5.765 -13.859 9.267 19 HE1 TYR 3 HE1 TYR 3 6.795 -9.571 6.974 20 HE2 TYR 3 HE2 TYR 3 4.460 -13.131 7.210 21 HH TYR 3 HH TYR 3 5.502 -10.554 5.235 22 H VAL 4 H VAL 4 5.773 -9.809 11.973 23 HA VAL 4 HA VAL 4 3.391 -11.052 11.225 24 HB VAL 4 HB VAL 4 3.589 -12.316 13.262 25 1HG1 VAL 4 1HG1 VAL 4 5.114 -10.777 14.465 26 2HG1 VAL 4 2HG1 VAL 4 3.748 -9.670 14.744 27 3HG1 VAL 4 3HG1 VAL 4 3.737 -11.297 15.466 28 1HG2 VAL 4 1HG2 VAL 4 1.448 -10.371 12.814 29 2HG2 VAL 4 2HG2 VAL 4 1.358 -12.104 13.212 30 3HG2 VAL 4 3HG2 VAL 4 1.556 -10.901 14.509 31 H GLY 5 H GLY 5 4.125 -8.904 10.109 32 1HA GLY 5 1HA GLY 5 4.319 -6.473 10.658 33 2HA GLY 5 2HA GLY 5 2.844 -6.680 11.581 34 H LEU 6 H LEU 6 0.937 -6.249 10.554 35 HA LEU 6 HA LEU 6 0.999 -6.324 7.617 36 1HB LEU 6 1HB LEU 6 -1.467 -6.848 7.818 37 2HB LEU 6 2HB LEU 6 -0.333 -8.134 8.178 38 HG LEU 6 HG LEU 6 -1.317 -6.497 10.472 39 1HD1 LEU 6 1HD1 LEU 6 -3.172 -7.510 8.652 40 2HD1 LEU 6 2HD1 LEU 6 -3.116 -8.717 9.959 41 3HD1 LEU 6 3HD1 LEU 6 -3.474 -7.015 10.335 42 1HD2 LEU 6 1HD2 LEU 6 0.085 -8.954 10.064 43 2HD2 LEU 6 2HD2 LEU 6 -0.294 -8.115 11.587 44 3HD2 LEU 6 3HD2 LEU 6 -1.439 -9.300 10.914 45 H SER 7 H SER 7 1.894 -4.057 8.891 46 HA SER 7 HA SER 7 0.297 -2.131 7.832 47 1HB SER 7 1HB SER 7 -0.539 -1.038 10.022 48 2HB SER 7 2HB SER 7 -1.440 -2.413 9.416 49 HG SER 7 HG SER 7 -1.072 -2.671 11.669 50 H ALA 8 H ALA 8 1.768 -0.506 7.475 51 HA ALA 8 HA ALA 8 3.328 1.033 7.957 52 1HB ALA 8 1HB ALA 8 3.937 1.506 10.119 53 2HB ALA 8 2HB ALA 8 4.188 -0.205 10.538 54 3HB ALA 8 3HB ALA 8 2.539 0.462 10.470 55 H ASN 9 H ASN 9 4.465 -2.036 9.549 56 HA ASN 9 HA ASN 9 7.005 -1.905 8.615 57 1HB ASN 9 1HB ASN 9 6.254 -3.553 10.306 58 2HB ASN 9 2HB ASN 9 5.252 -4.366 9.120 59 2HD2 ASN 9 2HD2 ASN 9 6.581 -6.180 9.969 60 1HD2 ASN 9 1HD2 ASN 9 8.069 -6.560 9.170 61 H GLN 10 H GLN 10 4.001 -3.158 7.082 62 HA GLN 10 HA GLN 10 5.395 -4.282 4.879 63 1HB GLN 10 1HB GLN 10 2.957 -4.396 3.950 64 2HB GLN 10 2HB GLN 10 3.368 -5.377 5.342 65 1HG GLN 10 1HG GLN 10 2.197 -3.989 6.847 66 2HG GLN 10 2HG GLN 10 2.318 -2.581 5.810 67 2HE2 GLN 10 2HE2 GLN 10 1.412 -5.838 4.810 68 1HE2 GLN 10 1HE2 GLN 10 -0.228 -5.501 4.365 69 H CYS 11 H CYS 11 3.690 -1.224 5.638 70 HA CYS 11 HA CYS 11 4.292 -0.303 2.930 71 1HB CYS 11 1HB CYS 11 2.648 1.403 4.689 72 2HB CYS 11 2HB CYS 11 2.473 1.026 2.986 73 H ALA 12 H ALA 12 6.460 -0.640 4.723 74 HA ALA 12 HA ALA 12 6.943 2.043 5.787 75 1HB ALA 12 1HB ALA 12 9.078 0.311 6.427 76 2HB ALA 12 2HB ALA 12 7.761 0.841 7.502 77 3HB ALA 12 3HB ALA 12 7.604 -0.674 6.582 78 H VAL 13 H VAL 13 6.843 1.795 2.957 79 HA VAL 13 HA VAL 13 9.628 1.604 2.133 80 HB VAL 13 HB VAL 13 7.638 2.366 0.135 81 1HG1 VAL 13 1HG1 VAL 13 10.018 0.722 0.413 82 2HG1 VAL 13 2HG1 VAL 13 8.734 -0.145 -0.462 83 3HG1 VAL 13 3HG1 VAL 13 9.295 1.441 -1.046 84 1HG2 VAL 13 1HG2 VAL 13 7.145 -0.027 1.894 85 2HG2 VAL 13 2HG2 VAL 13 5.988 1.157 1.239 86 3HG2 VAL 13 3HG2 VAL 13 6.705 -0.073 0.170 87 HA PRO 14 HA PRO 14 10.140 5.893 2.074 88 1HB PRO 14 1HB PRO 14 12.097 6.193 0.190 89 2HB PRO 14 2HB PRO 14 12.422 5.696 1.838 90 1HG PRO 14 1HG PRO 14 12.406 4.058 -0.623 91 2HG PRO 14 2HG PRO 14 13.127 3.695 0.932 92 1HD PRO 14 1HD PRO 14 10.684 2.621 -0.120 93 2HD PRO 14 2HD PRO 14 11.345 2.349 1.480 94 H ALA 15 H ALA 15 10.287 4.796 -1.289 95 HA ALA 15 HA ALA 15 7.944 5.695 -2.186 96 1HB ALA 15 1HB ALA 15 9.602 7.971 -1.365 97 2HB ALA 15 2HB ALA 15 7.874 7.915 -1.787 98 3HB ALA 15 3HB ALA 15 9.098 8.075 -3.069 99 H LYS 16 H LYS 16 11.423 5.376 -2.530 100 HA LYS 16 HA LYS 16 11.206 5.286 -5.430 101 1HB LYS 16 1HB LYS 16 13.626 5.237 -5.417 102 2HB LYS 16 2HB LYS 16 13.052 6.552 -4.411 103 1HG LYS 16 1HG LYS 16 14.563 5.661 -2.913 104 2HG LYS 16 2HG LYS 16 13.198 4.644 -2.496 105 1HD LYS 16 1HD LYS 16 14.571 2.884 -2.956 106 2HD LYS 16 2HD LYS 16 14.284 3.258 -4.643 107 1HE LYS 16 1HE LYS 16 16.366 4.244 -4.933 108 2HE LYS 16 2HE LYS 16 16.418 4.877 -3.300 109 1HZ LYS 16 1HZ LYS 16 16.706 2.524 -2.580 110 2HZ LYS 16 2HZ LYS 16 16.930 2.118 -4.146 111 3HZ LYS 16 3HZ LYS 16 17.963 3.149 -3.414 112 H ASP 17 H ASP 17 10.344 3.271 -3.020 113 HA ASP 17 HA ASP 17 11.370 0.955 -4.467 114 1HB ASP 17 1HB ASP 17 11.306 1.607 -1.607 115 2HB ASP 17 2HB ASP 17 10.453 0.108 -1.919 116 H ARG 18 H ARG 18 8.793 2.872 -4.382 117 HA ARG 18 HA ARG 18 6.747 1.096 -3.581 118 1HB ARG 18 1HB ARG 18 6.393 3.537 -5.374 119 2HB ARG 18 2HB ARG 18 5.229 2.853 -4.257 120 1HG ARG 18 1HG ARG 18 7.871 4.161 -3.452 121 2HG ARG 18 2HG ARG 18 6.299 4.929 -3.357 122 1HD ARG 18 1HD ARG 18 5.570 2.968 -1.841 123 2HD ARG 18 2HD ARG 18 7.257 2.496 -1.785 124 HE ARG 18 HE ARG 18 7.608 4.208 -0.248 125 1HH1 ARG 18 1HH1 ARG 18 4.824 5.051 -2.227 126 2HH1 ARG 18 2HH1 ARG 18 4.490 6.514 -1.361 127 1HH2 ARG 18 1HH2 ARG 18 7.169 6.138 0.894 128 2HH2 ARG 18 2HH2 ARG 18 5.833 7.136 0.426 129 H VAL 19 H VAL 19 5.959 -0.596 -4.795 130 HA VAL 19 HA VAL 19 6.723 -0.755 -7.577 131 HB VAL 19 HB VAL 19 5.009 -2.738 -6.121 132 1HG1 VAL 19 1HG1 VAL 19 7.056 -2.825 -8.342 133 2HG1 VAL 19 2HG1 VAL 19 6.560 -4.294 -7.467 134 3HG1 VAL 19 3HG1 VAL 19 5.353 -3.343 -8.365 135 1HG2 VAL 19 1HG2 VAL 19 7.776 -1.947 -5.422 136 2HG2 VAL 19 2HG2 VAL 19 6.534 -2.773 -4.450 137 3HG2 VAL 19 3HG2 VAL 19 7.507 -3.695 -5.622 138 H ASP 20 H ASP 20 4.221 0.662 -5.784 139 HA ASP 20 HA ASP 20 2.282 1.483 -6.294 140 1HB ASP 20 1HB ASP 20 3.190 2.562 -8.215 141 2HB ASP 20 2HB ASP 20 3.399 1.052 -9.079 142 H CYS 21 H CYS 21 0.398 0.333 -5.846 143 HA CYS 21 HA CYS 21 0.144 -2.333 -6.893 144 1HB CYS 21 1HB CYS 21 -0.455 -1.311 -4.496 145 2HB CYS 21 2HB CYS 21 -2.010 -1.072 -5.268 146 H GLY 22 H GLY 22 -1.004 0.953 -7.475 147 1HA GLY 22 1HA GLY 22 -2.260 0.196 -9.921 148 2HA GLY 22 2HA GLY 22 -2.194 1.793 -9.201 149 H TYR 23 H TYR 23 -3.840 2.479 -7.695 150 HA TYR 23 HA TYR 23 -6.289 0.903 -7.973 151 1HB TYR 23 1HB TYR 23 -4.712 1.768 -5.530 152 2HB TYR 23 2HB TYR 23 -6.453 1.921 -5.409 153 HD1 TYR 23 HD1 TYR 23 -7.802 -0.265 -6.178 154 HD2 TYR 23 HD2 TYR 23 -3.735 -0.227 -4.851 155 HE1 TYR 23 HE1 TYR 23 -7.970 -2.728 -5.572 156 HE2 TYR 23 HE2 TYR 23 -3.917 -2.691 -4.249 157 HH TYR 23 HH TYR 23 -5.982 -4.676 -5.392 158 HA PRO 24 HA PRO 24 -7.950 4.836 -8.698 159 1HB PRO 24 1HB PRO 24 -10.615 4.319 -8.389 160 2HB PRO 24 2HB PRO 24 -9.730 3.945 -9.855 161 1HG PRO 24 1HG PRO 24 -10.672 2.108 -7.739 162 2HG PRO 24 2HG PRO 24 -10.178 1.733 -9.379 163 1HD PRO 24 1HD PRO 24 -8.650 1.315 -6.988 164 2HD PRO 24 2HD PRO 24 -8.113 1.049 -8.634 165 H HIS 25 H HIS 25 -10.140 3.607 -6.227 166 HA HIS 25 HA HIS 25 -9.787 6.116 -4.844 167 1HB HIS 25 1HB HIS 25 -11.690 5.475 -3.551 168 2HB HIS 25 2HB HIS 25 -12.034 5.140 -5.236 169 HD1 HIS 25 HD1 HIS 25 -13.691 3.680 -3.154 170 HD2 HIS 25 HD2 HIS 25 -10.089 2.159 -4.673 171 HE1 HIS 25 HE1 HIS 25 -13.767 1.157 -2.782 172 HE2 HIS 25 HE2 HIS 25 -11.553 0.271 -3.785 173 H VAL 26 H VAL 26 -7.551 5.863 -4.189 174 HA VAL 26 HA VAL 26 -7.048 3.679 -2.328 175 HB VAL 26 HB VAL 26 -4.711 4.510 -2.463 176 1HG1 VAL 26 1HG1 VAL 26 -6.087 3.828 -5.083 177 2HG1 VAL 26 2HG1 VAL 26 -4.328 3.769 -4.813 178 3HG1 VAL 26 3HG1 VAL 26 -5.406 2.689 -3.897 179 1HG2 VAL 26 1HG2 VAL 26 -5.894 6.832 -3.484 180 2HG2 VAL 26 2HG2 VAL 26 -4.155 6.466 -3.390 181 3HG2 VAL 26 3HG2 VAL 26 -5.064 6.096 -4.875 182 H THR 27 H THR 27 -6.682 3.978 -0.130 183 HA THR 27 HA THR 27 -6.483 6.668 0.909 184 HB THR 27 HB THR 27 -8.572 6.713 2.013 185 HG1 THR 27 HG1 THR 27 -9.694 4.597 2.310 186 1HG2 THR 27 1HG2 THR 27 -9.082 4.973 -0.458 187 2HG2 THR 27 2HG2 THR 27 -10.349 5.806 0.473 188 3HG2 THR 27 3HG2 THR 27 -9.126 6.752 -0.408 189 HA PRO 28 HA PRO 28 -4.380 4.665 4.072 190 1HB PRO 28 1HB PRO 28 -5.030 6.025 6.351 191 2HB PRO 28 2HB PRO 28 -3.883 6.626 5.170 192 1HG PRO 28 1HG PRO 28 -6.664 7.498 5.663 193 2HG PRO 28 2HG PRO 28 -5.385 8.339 4.811 194 1HD PRO 28 1HD PRO 28 -7.605 6.951 3.638 195 2HD PRO 28 2HD PRO 28 -6.264 7.693 2.787 196 H LYS 29 H LYS 29 -6.698 3.281 3.307 197 HA LYS 29 HA LYS 29 -6.823 1.447 5.379 198 1HB LYS 29 1HB LYS 29 -8.024 3.327 6.541 199 2HB LYS 29 2HB LYS 29 -9.281 3.219 5.326 200 1HG LYS 29 1HG LYS 29 -9.678 1.895 7.500 201 2HG LYS 29 2HG LYS 29 -9.922 1.018 6.003 202 1HD LYS 29 1HD LYS 29 -7.919 -0.217 6.234 203 2HD LYS 29 2HD LYS 29 -7.185 0.971 7.293 204 1HE LYS 29 1HE LYS 29 -9.625 -0.669 8.111 205 2HE LYS 29 2HE LYS 29 -7.984 -1.206 8.413 206 1HZ LYS 29 1HZ LYS 29 -8.285 1.452 9.242 207 2HZ LYS 29 2HZ LYS 29 -9.454 0.539 9.925 208 3HZ LYS 29 3HZ LYS 29 -7.883 0.143 10.131 209 H GLU 30 H GLU 30 -8.746 3.079 2.784 210 HA GLU 30 HA GLU 30 -9.991 0.695 1.999 211 1HB GLU 30 1HB GLU 30 -10.932 2.932 1.522 212 2HB GLU 30 2HB GLU 30 -9.567 3.313 0.491 213 1HG GLU 30 1HG GLU 30 -11.011 2.569 -1.152 214 2HG GLU 30 2HG GLU 30 -10.312 1.020 -0.724 215 H CYS 31 H CYS 31 -7.070 2.496 0.887 216 HA CYS 31 HA CYS 31 -6.581 0.861 -1.331 217 1HB CYS 31 1HB CYS 31 -5.457 2.833 -1.491 218 2HB CYS 31 2HB CYS 31 -5.075 2.900 0.218 219 H ASN 32 H ASN 32 -5.722 0.743 2.154 220 HA ASN 32 HA ASN 32 -3.982 -1.477 1.759 221 1HB ASN 32 1HB ASN 32 -3.357 -0.122 3.610 222 2HB ASN 32 2HB ASN 32 -5.013 0.097 4.139 223 2HD2 ASN 32 2HD2 ASN 32 -5.230 -0.749 6.062 224 1HD2 ASN 32 1HD2 ASN 32 -4.696 -2.310 6.589 225 H ASN 33 H ASN 33 -7.347 -0.979 1.854 226 HA ASN 33 HA ASN 33 -7.919 -3.427 3.260 227 1HB ASN 33 1HB ASN 33 -9.420 -1.540 3.699 228 2HB ASN 33 2HB ASN 33 -9.675 -1.270 1.986 229 2HD2 ASN 33 2HD2 ASN 33 -11.045 -2.446 4.677 230 1HD2 ASN 33 1HD2 ASN 33 -12.142 -3.624 4.037 231 H ARG 34 H ARG 34 -8.108 -1.885 -0.002 232 HA ARG 34 HA ARG 34 -9.512 -3.827 -1.298 233 1HB ARG 34 1HB ARG 34 -8.346 -1.459 -2.020 234 2HB ARG 34 2HB ARG 34 -7.223 -2.567 -2.783 235 1HG ARG 34 1HG ARG 34 -9.154 -1.864 -4.268 236 2HG ARG 34 2HG ARG 34 -8.979 -3.599 -4.095 237 1HD ARG 34 1HD ARG 34 -10.715 -2.399 -2.012 238 2HD ARG 34 2HD ARG 34 -11.325 -2.153 -3.636 239 HE ARG 34 HE ARG 34 -10.465 -4.890 -3.313 240 1HH1 ARG 34 1HH1 ARG 34 -13.064 -2.688 -2.430 241 2HH1 ARG 34 2HH1 ARG 34 -14.247 -3.943 -2.275 242 1HH2 ARG 34 1HH2 ARG 34 -12.026 -6.547 -3.108 243 2HH2 ARG 34 2HH2 ARG 34 -13.653 -6.153 -2.663 244 H GLY 35 H GLY 35 -6.254 -3.874 -0.014 245 1HA GLY 35 1HA GLY 35 -5.753 -6.444 -1.393 246 2HA GLY 35 2HA GLY 35 -5.315 -6.100 0.268 247 H CYS 36 H CYS 36 -3.812 -4.116 0.602 248 HA CYS 36 HA CYS 36 -1.448 -4.548 -0.669 249 1HB CYS 36 1HB CYS 36 -3.139 -3.234 -2.465 250 2HB CYS 36 2HB CYS 36 -2.099 -1.970 -1.839 251 H CYS 37 H CYS 37 -0.554 -1.709 -0.747 252 HA CYS 37 HA CYS 37 -1.074 -1.001 2.049 253 1HB CYS 37 1HB CYS 37 1.489 -1.333 0.584 254 2HB CYS 37 2HB CYS 37 1.378 0.038 1.670 255 H PHE 38 H PHE 38 -1.037 1.345 2.474 256 HA PHE 38 HA PHE 38 -1.443 2.897 0.014 257 1HB PHE 38 1HB PHE 38 -3.514 2.591 1.341 258 2HB PHE 38 2HB PHE 38 -2.672 2.972 2.829 259 HD1 PHE 38 HD1 PHE 38 -4.021 4.391 -0.289 260 HD2 PHE 38 HD2 PHE 38 -2.326 5.239 3.508 261 HE1 PHE 38 HE1 PHE 38 -4.686 6.799 -0.530 262 HE2 PHE 38 HE2 PHE 38 -2.992 7.647 3.267 263 HZ PHE 38 HZ PHE 38 -4.164 8.399 1.251 264 H ASP 39 H ASP 39 -1.228 5.405 0.587 265 HA ASP 39 HA ASP 39 0.437 6.153 2.651 266 1HB ASP 39 1HB ASP 39 2.185 4.863 1.482 267 2HB ASP 39 2HB ASP 39 1.831 5.684 -0.025 268 H SER 40 H SER 40 0.609 8.489 2.634 269 HA SER 40 HA SER 40 -0.258 9.772 0.178 270 1HB SER 40 1HB SER 40 -1.778 11.256 1.430 271 2HB SER 40 2HB SER 40 -2.253 9.581 1.623 272 HG SER 40 HG SER 40 -2.149 11.007 3.620 273 H ARG 41 H ARG 41 2.295 9.322 1.934 274 HA ARG 41 HA ARG 41 2.926 11.733 3.118 275 1HB ARG 41 1HB ARG 41 4.116 9.284 2.991 276 2HB ARG 41 2HB ARG 41 5.124 10.128 1.831 277 1HG ARG 41 1HG ARG 41 5.640 11.881 3.508 278 2HG ARG 41 2HG ARG 41 4.563 11.124 4.665 279 1HD ARG 41 1HD ARG 41 6.239 9.758 5.354 280 2HD ARG 41 2HD ARG 41 6.373 9.085 3.742 281 HE ARG 41 HE ARG 41 7.668 11.699 3.999 282 1HH1 ARG 41 1HH1 ARG 41 8.084 8.229 4.415 283 2HH1 ARG 41 2HH1 ARG 41 9.810 8.291 4.286 284 1HH2 ARG 41 1HH2 ARG 41 9.946 11.781 3.828 285 2HH2 ARG 41 2HH2 ARG 41 10.876 10.325 3.950 286 H ILE 42 H ILE 42 3.257 10.506 -0.239 287 HA ILE 42 HA ILE 42 3.614 13.207 -1.166 288 HB ILE 42 HB ILE 42 5.627 12.049 -2.585 289 1HG1 ILE 42 1HG1 ILE 42 7.161 11.011 -0.941 290 2HG1 ILE 42 2HG1 ILE 42 5.885 11.031 0.261 291 1HG2 ILE 42 1HG2 ILE 42 5.337 14.043 -0.472 292 2HG2 ILE 42 2HG2 ILE 42 6.955 13.302 -0.509 293 3HG2 ILE 42 3HG2 ILE 42 6.300 14.082 -1.969 294 1HD1 ILE 42 1HD1 ILE 42 5.268 9.774 -2.407 295 2HD1 ILE 42 2HD1 ILE 42 6.310 8.881 -1.274 296 3HD1 ILE 42 3HD1 ILE 42 4.663 9.348 -0.787 297 HA PRO 43 HA PRO 43 1.174 11.312 -4.208 298 1HB PRO 43 1HB PRO 43 0.829 13.467 -5.852 299 2HB PRO 43 2HB PRO 43 -0.139 13.191 -4.418 300 1HG PRO 43 1HG PRO 43 2.049 15.135 -4.831 301 2HG PRO 43 2HG PRO 43 0.809 15.126 -3.593 302 1HD PRO 43 1HD PRO 43 3.555 14.358 -3.278 303 2HD PRO 43 2HD PRO 43 2.288 14.239 -2.073 304 H GLY 44 H GLY 44 4.061 13.067 -5.054 305 1HA GLY 44 1HA GLY 44 5.723 12.431 -6.456 306 2HA GLY 44 2HA GLY 44 4.444 12.504 -7.652 307 H VAL 45 H VAL 45 4.781 10.177 -4.904 308 HA VAL 45 HA VAL 45 5.423 8.076 -6.821 309 HB VAL 45 HB VAL 45 6.324 6.914 -5.074 310 1HG1 VAL 45 1HG1 VAL 45 6.860 9.711 -5.092 311 2HG1 VAL 45 2HG1 VAL 45 6.879 9.172 -3.396 312 3HG1 VAL 45 3HG1 VAL 45 7.932 8.381 -4.593 313 1HG2 VAL 45 1HG2 VAL 45 4.233 8.258 -3.384 314 2HG2 VAL 45 2HG2 VAL 45 4.603 6.527 -3.576 315 3HG2 VAL 45 3HG2 VAL 45 5.679 7.566 -2.612 316 HA PRO 46 HA PRO 46 1.536 6.201 -6.513 317 1HB PRO 46 1HB PRO 46 2.011 3.532 -6.167 318 2HB PRO 46 2HB PRO 46 2.166 4.340 -7.714 319 1HG PRO 46 1HG PRO 46 4.296 3.414 -5.886 320 2HG PRO 46 2HG PRO 46 4.410 3.825 -7.586 321 1HD PRO 46 1HD PRO 46 5.267 5.433 -5.370 322 2HD PRO 46 2HD PRO 46 5.273 5.890 -7.062 323 H TRP 47 H TRP 47 0.588 7.255 -4.774 324 HA TRP 47 HA TRP 47 0.990 6.946 -2.189 325 1HB TRP 47 1HB TRP 47 -1.492 7.249 -3.797 326 2HB TRP 47 2HB TRP 47 -1.685 6.861 -2.098 327 HD1 TRP 47 HD1 TRP 47 1.204 9.166 -3.197 328 HE1 TRP 47 HE1 TRP 47 0.868 11.620 -2.290 329 HE3 TRP 47 HE3 TRP 47 -3.495 8.420 -1.403 330 HZ2 TRP 47 HZ2 TRP 47 -1.278 12.945 -0.953 331 HZ3 TRP 47 HZ3 TRP 47 -4.640 10.346 -0.311 332 HH2 TRP 47 HH2 TRP 47 -3.607 12.549 -0.072 333 H CYS 48 H CYS 48 -1.020 4.651 -4.175 334 HA CYS 48 HA CYS 48 -0.894 2.757 -1.983 335 1HB CYS 48 1HB CYS 48 -3.009 3.348 -3.333 336 2HB CYS 48 2HB CYS 48 -2.325 2.349 -4.600 337 H PHE 49 H PHE 49 0.900 1.445 -1.937 338 HA PHE 49 HA PHE 49 1.837 0.414 -4.514 339 1HB PHE 49 1HB PHE 49 4.171 0.602 -3.339 340 2HB PHE 49 2HB PHE 49 3.456 2.105 -3.888 341 HD1 PHE 49 HD1 PHE 49 3.561 -0.060 -0.847 342 HD2 PHE 49 HD2 PHE 49 3.360 3.879 -2.413 343 HE1 PHE 49 HE1 PHE 49 3.738 0.873 1.477 344 HE2 PHE 49 HE2 PHE 49 3.537 4.812 -0.089 345 HZ PHE 49 HZ PHE 49 3.724 3.298 1.828 346 H LYS 50 H LYS 50 3.260 -1.587 -4.207 347 HA LYS 50 HA LYS 50 1.860 -3.441 -2.639 348 1HB LYS 50 1HB LYS 50 4.441 -3.527 -4.202 349 2HB LYS 50 2HB LYS 50 3.892 -4.907 -3.272 350 1HG LYS 50 1HG LYS 50 1.576 -4.165 -4.632 351 2HG LYS 50 2HG LYS 50 2.823 -3.797 -5.807 352 1HD LYS 50 1HD LYS 50 3.556 -6.316 -4.708 353 2HD LYS 50 2HD LYS 50 1.821 -6.404 -4.939 354 1HE LYS 50 1HE LYS 50 2.793 -5.143 -7.286 355 2HE LYS 50 2HE LYS 50 3.957 -6.409 -6.949 356 1HZ LYS 50 1HZ LYS 50 1.052 -6.838 -7.037 357 2HZ LYS 50 2HZ LYS 50 2.067 -7.147 -8.278 358 3HZ LYS 50 3HZ LYS 50 2.199 -7.991 -6.886 359 HA PRO 51 HA PRO 51 3.929 -3.280 1.144 360 1HB PRO 51 1HB PRO 51 3.969 -5.883 1.975 361 2HB PRO 51 2HB PRO 51 2.549 -4.862 2.089 362 1HG PRO 51 1HG PRO 51 3.115 -7.045 0.177 363 2HG PRO 51 2HG PRO 51 1.575 -6.313 0.583 364 1HD PRO 51 1HD PRO 51 3.125 -5.846 -1.785 365 2HD PRO 51 2HD PRO 51 1.645 -5.030 -1.323 366 H LEU 52 H LEU 52 5.943 -2.674 1.588 367 HA LEU 52 HA LEU 52 8.084 -3.227 0.134 368 1HB LEU 52 1HB LEU 52 8.229 -1.667 1.882 369 2HB LEU 52 2HB LEU 52 7.821 -2.854 3.105 370 HG LEU 52 HG LEU 52 10.389 -2.915 1.500 371 1HD1 LEU 52 1HD1 LEU 52 9.695 -1.509 4.059 372 2HD1 LEU 52 2HD1 LEU 52 11.334 -2.159 3.815 373 3HD1 LEU 52 3HD1 LEU 52 10.676 -0.955 2.681 374 1HD2 LEU 52 1HD2 LEU 52 9.147 -4.722 3.422 375 2HD2 LEU 52 2HD2 LEU 52 10.529 -4.978 2.329 376 3HD2 LEU 52 3HD2 LEU 52 10.780 -4.215 3.917 377 H GLN 53 H GLN 53 9.283 -4.950 -0.489 378 HA GLN 53 HA GLN 53 8.499 -7.499 0.355 379 1HB GLN 53 1HB GLN 53 10.340 -8.292 -1.100 380 2HB GLN 53 2HB GLN 53 9.381 -7.064 -1.902 381 1HG GLN 53 1HG GLN 53 11.557 -5.833 -0.376 382 2HG GLN 53 2HG GLN 53 12.187 -7.038 -1.482 383 2HE2 GLN 53 2HE2 GLN 53 11.228 -3.886 -1.126 384 1HE2 GLN 53 1HE2 GLN 53 11.016 -3.420 -2.781 385 H GLU 54 H GLU 54 8.792 -6.962 2.767 386 HA GLU 54 HA GLU 54 11.111 -6.449 3.985 387 1HB GLU 54 1HB GLU 54 10.156 -7.362 5.950 388 2HB GLU 54 2HB GLU 54 8.769 -6.919 4.976 389 1HG GLU 54 1HG GLU 54 9.963 -9.709 5.298 390 2HG GLU 54 2HG GLU 54 8.402 -9.161 5.876 391 H ALA 55 H ALA 55 13.128 -7.335 3.946 392 HA ALA 55 HA ALA 55 13.515 -10.125 4.201 393 1HB ALA 55 1HB ALA 55 12.830 -9.877 1.756 394 2HB ALA 55 2HB ALA 55 14.409 -10.649 2.042 395 3HB ALA 55 3HB ALA 55 14.331 -8.949 1.521 396 H GLU 56 H GLU 56 14.230 -7.739 5.627 397 HA GLU 56 HA GLU 56 17.012 -8.182 5.745 398 1HB GLU 56 1HB GLU 56 17.729 -5.843 5.274 399 2HB GLU 56 2HB GLU 56 17.059 -6.627 3.856 400 1HG GLU 56 1HG GLU 56 15.113 -5.129 5.579 401 2HG GLU 56 2HG GLU 56 16.279 -4.155 4.707 402 H CYS 57 H CYS 57 17.982 -6.388 7.407 403 HA CYS 57 HA CYS 57 16.252 -6.587 9.673 404 1HB CYS 57 1HB CYS 57 18.931 -5.201 9.520 405 2HB CYS 57 2HB CYS 57 18.106 -5.785 10.952 406 H THR 58 H THR 58 17.917 -3.913 7.841 407 HA THR 58 HA THR 58 17.459 -1.744 7.641 408 HB THR 58 HB THR 58 14.664 -2.966 7.806 409 HG1 THR 58 HG1 THR 58 16.500 -1.871 5.794 410 1HG2 THR 58 1HG2 THR 58 14.888 -0.348 8.307 411 2HG2 THR 58 2HG2 THR 58 15.254 -0.263 6.567 412 3HG2 THR 58 3HG2 THR 58 13.696 -0.926 7.118 413 H PHE 59 H PHE 59 18.619 -1.316 9.635 414 HA PHE 59 HA PHE 59 18.810 -0.633 11.747 415 1HB PHE 59 1HB PHE 59 18.035 1.386 10.477 416 2HB PHE 59 2HB PHE 59 16.363 0.908 10.695 417 HD1 PHE 59 HD1 PHE 59 19.381 1.681 12.758 418 HD2 PHE 59 HD2 PHE 59 15.160 1.922 12.381 419 HE1 PHE 59 HE1 PHE 59 19.269 3.035 14.869 420 HE2 PHE 59 HE2 PHE 59 15.049 3.275 14.492 421 HZ PHE 59 HZ PHE 59 17.105 3.815 15.711 No H/Q in entry = 421 Start of MODEL 9 1 H GLU 1 H GLU 1 4.107 -14.170 20.700 2 HA GLU 1 HA GLU 1 5.588 -12.797 21.496 3 1HB GLU 1 1HB GLU 1 6.835 -13.762 19.008 4 2HB GLU 1 2HB GLU 1 7.455 -12.197 19.494 5 1HG GLU 1 1HG GLU 1 8.537 -13.053 21.320 6 2HG GLU 1 2HG GLU 1 7.175 -14.059 21.774 7 H GLU 2 H GLU 2 5.631 -11.694 18.029 8 HA GLU 2 HA GLU 2 3.919 -9.581 18.387 9 1HB GLU 2 1HB GLU 2 6.396 -9.065 19.661 10 2HB GLU 2 2HB GLU 2 6.460 -8.153 18.167 11 1HG GLU 2 1HG GLU 2 4.027 -7.372 18.799 12 2HG GLU 2 2HG GLU 2 4.419 -7.949 20.407 13 H TYR 3 H TYR 3 3.195 -9.868 16.299 14 HA TYR 3 HA TYR 3 4.592 -8.797 14.167 15 1HB TYR 3 1HB TYR 3 6.102 -10.731 14.352 16 2HB TYR 3 2HB TYR 3 4.766 -11.823 14.657 17 HD1 TYR 3 HD1 TYR 3 6.179 -9.599 11.999 18 HD2 TYR 3 HD2 TYR 3 3.840 -13.067 12.898 19 HE1 TYR 3 HE1 TYR 3 6.084 -10.184 9.527 20 HE2 TYR 3 HE2 TYR 3 3.753 -13.640 10.423 21 HH TYR 3 HH TYR 3 5.239 -13.159 8.412 22 H VAL 4 H VAL 4 2.687 -7.936 13.415 23 HA VAL 4 HA VAL 4 0.976 -9.555 11.928 24 HB VAL 4 HB VAL 4 0.206 -10.371 14.079 25 1HG1 VAL 4 1HG1 VAL 4 0.755 -7.892 15.070 26 2HG1 VAL 4 2HG1 VAL 4 -1.018 -7.817 14.936 27 3HG1 VAL 4 3HG1 VAL 4 -0.252 -9.106 15.895 28 1HG2 VAL 4 1HG2 VAL 4 -1.520 -8.854 12.227 29 2HG2 VAL 4 2HG2 VAL 4 -1.656 -10.528 12.817 30 3HG2 VAL 4 3HG2 VAL 4 -2.247 -9.181 13.819 31 H GLY 5 H GLY 5 2.435 -7.340 11.293 32 1HA GLY 5 1HA GLY 5 0.607 -5.616 10.153 33 2HA GLY 5 2HA GLY 5 2.303 -5.270 10.429 34 H LEU 6 H LEU 6 2.716 -4.969 13.054 35 HA LEU 6 HA LEU 6 0.558 -3.351 14.144 36 1HB LEU 6 1HB LEU 6 2.017 -3.357 16.179 37 2HB LEU 6 2HB LEU 6 1.370 -4.908 15.683 38 HG LEU 6 HG LEU 6 3.830 -4.745 16.469 39 1HD1 LEU 6 1HD1 LEU 6 2.451 -6.507 14.815 40 2HD1 LEU 6 2HD1 LEU 6 3.990 -6.218 13.968 41 3HD1 LEU 6 3HD1 LEU 6 3.996 -6.805 15.648 42 1HD2 LEU 6 1HD2 LEU 6 4.127 -3.751 13.622 43 2HD2 LEU 6 2HD2 LEU 6 4.519 -2.859 15.112 44 3HD2 LEU 6 3HD2 LEU 6 5.457 -4.305 14.668 45 H SER 7 H SER 7 2.157 -2.536 11.738 46 HA SER 7 HA SER 7 2.480 0.112 12.446 47 1HB SER 7 1HB SER 7 4.944 0.372 12.219 48 2HB SER 7 2HB SER 7 4.512 -0.583 13.624 49 HG SER 7 HG SER 7 4.766 -2.413 11.768 50 H ALA 8 H ALA 8 4.328 1.001 10.500 51 HA ALA 8 HA ALA 8 2.969 0.095 8.086 52 1HB ALA 8 1HB ALA 8 4.921 2.370 8.128 53 2HB ALA 8 2HB ALA 8 3.380 2.580 8.993 54 3HB ALA 8 3HB ALA 8 3.380 2.205 7.253 55 H ASN 9 H ASN 9 4.978 -1.600 9.484 56 HA ASN 9 HA ASN 9 7.468 -1.418 8.427 57 1HB ASN 9 1HB ASN 9 6.597 -3.086 10.169 58 2HB ASN 9 2HB ASN 9 5.914 -4.022 8.854 59 2HD2 ASN 9 2HD2 ASN 9 8.770 -3.046 10.530 60 1HD2 ASN 9 1HD2 ASN 9 9.910 -4.084 9.741 61 H GLN 10 H GLN 10 4.623 -3.350 7.205 62 HA GLN 10 HA GLN 10 5.911 -4.184 4.885 63 1HB GLN 10 1HB GLN 10 3.598 -4.802 4.130 64 2HB GLN 10 2HB GLN 10 3.979 -5.384 5.738 65 1HG GLN 10 1HG GLN 10 2.830 -2.689 5.857 66 2HG GLN 10 2HG GLN 10 1.767 -3.777 4.986 67 2HE2 GLN 10 2HE2 GLN 10 2.745 -2.671 7.974 68 1HE2 GLN 10 1HE2 GLN 10 2.060 -3.885 9.002 69 H CYS 11 H CYS 11 4.208 -1.214 5.776 70 HA CYS 11 HA CYS 11 4.423 -0.338 2.989 71 1HB CYS 11 1HB CYS 11 2.735 1.192 4.888 72 2HB CYS 11 2HB CYS 11 2.523 0.890 3.175 73 H ALA 12 H ALA 12 6.767 -0.398 4.476 74 HA ALA 12 HA ALA 12 7.081 2.405 5.310 75 1HB ALA 12 1HB ALA 12 9.169 1.185 6.496 76 2HB ALA 12 2HB ALA 12 7.571 1.312 7.270 77 3HB ALA 12 3HB ALA 12 8.041 -0.192 6.442 78 H VAL 13 H VAL 13 7.141 2.082 2.642 79 HA VAL 13 HA VAL 13 9.886 1.491 1.876 80 HB VAL 13 HB VAL 13 7.959 2.426 -0.143 81 1HG1 VAL 13 1HG1 VAL 13 10.206 0.564 0.131 82 2HG1 VAL 13 2HG1 VAL 13 8.863 -0.101 -0.829 83 3HG1 VAL 13 3HG1 VAL 13 9.613 1.444 -1.298 84 1HG2 VAL 13 1HG2 VAL 13 7.331 0.116 1.668 85 2HG2 VAL 13 2HG2 VAL 13 6.243 1.313 0.926 86 3HG2 VAL 13 3HG2 VAL 13 6.927 -0.001 -0.061 87 HA PRO 14 HA PRO 14 10.952 5.675 1.694 88 1HB PRO 14 1HB PRO 14 13.017 5.626 -0.095 89 2HB PRO 14 2HB PRO 14 13.197 5.174 1.588 90 1HG PRO 14 1HG PRO 14 13.082 3.432 -0.798 91 2HG PRO 14 2HG PRO 14 13.676 3.056 0.808 92 1HD PRO 14 1HD PRO 14 11.165 2.255 -0.324 93 2HD PRO 14 2HD PRO 14 11.709 1.980 1.318 94 H ALA 15 H ALA 15 9.229 4.230 -0.607 95 HA ALA 15 HA ALA 15 7.803 5.205 -2.046 96 1HB ALA 15 1HB ALA 15 8.727 7.441 -0.724 97 2HB ALA 15 2HB ALA 15 7.507 7.453 -2.021 98 3HB ALA 15 3HB ALA 15 9.215 7.777 -2.403 99 H LYS 16 H LYS 16 11.298 5.198 -2.258 100 HA LYS 16 HA LYS 16 11.231 5.398 -5.154 101 1HB LYS 16 1HB LYS 16 13.666 5.398 -4.987 102 2HB LYS 16 2HB LYS 16 12.962 6.623 -3.952 103 1HG LYS 16 1HG LYS 16 14.687 5.499 -2.671 104 2HG LYS 16 2HG LYS 16 13.142 5.015 -2.002 105 1HD LYS 16 1HD LYS 16 13.301 2.834 -2.821 106 2HD LYS 16 2HD LYS 16 14.266 3.304 -4.206 107 1HE LYS 16 1HE LYS 16 16.193 3.789 -2.595 108 2HE LYS 16 2HE LYS 16 15.220 3.099 -1.312 109 1HZ LYS 16 1HZ LYS 16 15.096 1.260 -3.284 110 2HZ LYS 16 2HZ LYS 16 16.641 1.782 -3.376 111 3HZ LYS 16 3HZ LYS 16 16.063 1.182 -1.971 112 H ASP 17 H ASP 17 10.321 3.088 -3.057 113 HA ASP 17 HA ASP 17 11.422 1.010 -4.776 114 1HB ASP 17 1HB ASP 17 11.751 1.331 -1.933 115 2HB ASP 17 2HB ASP 17 10.697 -0.048 -2.178 116 H ARG 18 H ARG 18 8.830 2.694 -4.610 117 HA ARG 18 HA ARG 18 6.865 0.920 -3.637 118 1HB ARG 18 1HB ARG 18 6.402 3.228 -5.578 119 2HB ARG 18 2HB ARG 18 5.273 2.580 -4.405 120 1HG ARG 18 1HG ARG 18 7.915 3.712 -3.448 121 2HG ARG 18 2HG ARG 18 6.617 4.809 -3.873 122 1HD ARG 18 1HD ARG 18 5.304 2.907 -2.298 123 2HD ARG 18 2HD ARG 18 6.872 3.021 -1.524 124 HE ARG 18 HE ARG 18 5.549 5.592 -2.178 125 1HH1 ARG 18 1HH1 ARG 18 6.297 3.168 0.261 126 2HH1 ARG 18 2HH1 ARG 18 5.973 4.225 1.595 127 1HH2 ARG 18 1HH2 ARG 18 5.121 6.987 -0.419 128 2HH2 ARG 18 2HH2 ARG 18 5.299 6.412 1.205 129 H VAL 19 H VAL 19 5.560 -0.551 -4.800 130 HA VAL 19 HA VAL 19 6.473 -1.086 -7.519 131 HB VAL 19 HB VAL 19 4.683 -2.754 -5.751 132 1HG1 VAL 19 1HG1 VAL 19 5.796 -3.033 -8.440 133 2HG1 VAL 19 2HG1 VAL 19 6.201 -4.409 -7.386 134 3HG1 VAL 19 3HG1 VAL 19 4.499 -3.950 -7.636 135 1HG2 VAL 19 1HG2 VAL 19 6.949 -2.180 -4.719 136 2HG2 VAL 19 2HG2 VAL 19 6.561 -3.909 -4.893 137 3HG2 VAL 19 3HG2 VAL 19 7.672 -3.126 -6.043 138 H ASP 20 H ASP 20 4.235 0.856 -6.047 139 HA ASP 20 HA ASP 20 2.278 1.666 -6.555 140 1HB ASP 20 1HB ASP 20 3.346 2.650 -8.443 141 2HB ASP 20 2HB ASP 20 3.495 1.116 -9.277 142 H CYS 21 H CYS 21 0.704 0.187 -5.754 143 HA CYS 21 HA CYS 21 0.198 -2.284 -6.997 144 1HB CYS 21 1HB CYS 21 -0.374 -1.191 -4.572 145 2HB CYS 21 2HB CYS 21 -1.943 -1.093 -5.346 146 H GLY 22 H GLY 22 -0.803 1.043 -7.532 147 1HA GLY 22 1HA GLY 22 -2.109 0.424 -9.962 148 2HA GLY 22 2HA GLY 22 -2.058 1.976 -9.151 149 H TYR 23 H TYR 23 -3.753 2.615 -7.724 150 HA TYR 23 HA TYR 23 -6.158 0.975 -8.021 151 1HB TYR 23 1HB TYR 23 -4.640 1.910 -5.559 152 2HB TYR 23 2HB TYR 23 -6.389 1.968 -5.464 153 HD1 TYR 23 HD1 TYR 23 -7.609 -0.286 -6.244 154 HD2 TYR 23 HD2 TYR 23 -3.564 -0.032 -4.873 155 HE1 TYR 23 HE1 TYR 23 -7.651 -2.755 -5.640 156 HE2 TYR 23 HE2 TYR 23 -3.620 -2.501 -4.272 157 HH TYR 23 HH TYR 23 -4.902 -4.513 -5.054 158 HA PRO 24 HA PRO 24 -7.924 4.858 -8.758 159 1HB PRO 24 1HB PRO 24 -10.575 4.281 -8.429 160 2HB PRO 24 2HB PRO 24 -9.690 3.915 -9.896 161 1HG PRO 24 1HG PRO 24 -10.577 2.075 -7.759 162 2HG PRO 24 2HG PRO 24 -10.083 1.698 -9.397 163 1HD PRO 24 1HD PRO 24 -8.532 1.337 -7.012 164 2HD PRO 24 2HD PRO 24 -7.998 1.070 -8.659 165 H HIS 25 H HIS 25 -10.104 3.626 -6.284 166 HA HIS 25 HA HIS 25 -9.754 6.141 -4.908 167 1HB HIS 25 1HB HIS 25 -11.673 5.504 -3.621 168 2HB HIS 25 2HB HIS 25 -12.006 5.206 -5.315 169 HD1 HIS 25 HD1 HIS 25 -13.752 3.716 -3.394 170 HD2 HIS 25 HD2 HIS 25 -10.056 2.202 -4.676 171 HE1 HIS 25 HE1 HIS 25 -13.853 1.191 -3.041 172 HE2 HIS 25 HE2 HIS 25 -11.575 0.310 -3.897 173 H VAL 26 H VAL 26 -7.557 5.918 -4.179 174 HA VAL 26 HA VAL 26 -7.074 3.711 -2.334 175 HB VAL 26 HB VAL 26 -4.738 4.558 -2.419 176 1HG1 VAL 26 1HG1 VAL 26 -6.019 3.908 -5.096 177 2HG1 VAL 26 2HG1 VAL 26 -4.284 3.780 -4.719 178 3HG1 VAL 26 3HG1 VAL 26 -5.457 2.737 -3.879 179 1HG2 VAL 26 1HG2 VAL 26 -5.823 6.904 -3.326 180 2HG2 VAL 26 2HG2 VAL 26 -4.107 6.450 -3.468 181 3HG2 VAL 26 3HG2 VAL 26 -5.215 6.182 -4.835 182 H THR 27 H THR 27 -6.798 3.990 -0.129 183 HA THR 27 HA THR 27 -6.596 6.670 0.938 184 HB THR 27 HB THR 27 -8.720 6.744 1.956 185 HG1 THR 27 HG1 THR 27 -9.812 4.702 2.404 186 1HG2 THR 27 1HG2 THR 27 -9.152 4.973 -0.508 187 2HG2 THR 27 2HG2 THR 27 -10.459 5.784 0.388 188 3HG2 THR 27 3HG2 THR 27 -9.231 6.751 -0.464 189 HA PRO 28 HA PRO 28 -4.624 4.622 4.158 190 1HB PRO 28 1HB PRO 28 -5.371 5.935 6.436 191 2HB PRO 28 2HB PRO 28 -4.181 6.564 5.313 192 1HG PRO 28 1HG PRO 28 -6.984 7.413 5.712 193 2HG PRO 28 2HG PRO 28 -5.677 8.277 4.928 194 1HD PRO 28 1HD PRO 28 -7.841 6.903 3.641 195 2HD PRO 28 2HD PRO 28 -6.472 7.666 2.858 196 H LYS 29 H LYS 29 -6.897 3.239 3.275 197 HA LYS 29 HA LYS 29 -7.095 1.363 5.300 198 1HB LYS 29 1HB LYS 29 -8.429 3.421 6.260 199 2HB LYS 29 2HB LYS 29 -9.695 2.862 5.185 200 1HG LYS 29 1HG LYS 29 -8.649 0.538 6.505 201 2HG LYS 29 2HG LYS 29 -8.873 1.761 7.740 202 1HD LYS 29 1HD LYS 29 -11.210 2.060 6.311 203 2HD LYS 29 2HD LYS 29 -10.910 0.349 6.075 204 1HE LYS 29 1HE LYS 29 -10.534 0.225 8.648 205 2HE LYS 29 2HE LYS 29 -11.232 1.831 8.717 206 1HZ LYS 29 1HZ LYS 29 -12.576 -0.436 7.426 207 2HZ LYS 29 2HZ LYS 29 -12.824 -0.016 8.984 208 3HZ LYS 29 3HZ LYS 29 -13.222 1.020 7.786 209 H GLU 30 H GLU 30 -8.984 3.041 2.703 210 HA GLU 30 HA GLU 30 -10.181 0.682 1.815 211 1HB GLU 30 1HB GLU 30 -11.159 2.848 1.300 212 2HB GLU 30 2HB GLU 30 -9.709 3.373 0.467 213 1HG GLU 30 1HG GLU 30 -10.302 2.318 -1.467 214 2HG GLU 30 2HG GLU 30 -10.730 0.839 -0.630 215 H CYS 31 H CYS 31 -7.222 2.494 0.816 216 HA CYS 31 HA CYS 31 -6.653 0.895 -1.401 217 1HB CYS 31 1HB CYS 31 -5.497 2.850 -1.476 218 2HB CYS 31 2HB CYS 31 -5.194 2.884 0.250 219 H ASN 32 H ASN 32 -6.017 0.646 2.113 220 HA ASN 32 HA ASN 32 -4.297 -1.612 1.708 221 1HB ASN 32 1HB ASN 32 -3.677 -0.174 3.548 222 2HB ASN 32 2HB ASN 32 -5.320 -0.102 4.152 223 2HD2 ASN 32 2HD2 ASN 32 -5.571 -1.155 5.955 224 1HD2 ASN 32 1HD2 ASN 32 -4.841 -2.657 6.413 225 H ASN 33 H ASN 33 -7.590 -1.065 1.584 226 HA ASN 33 HA ASN 33 -8.326 -3.403 3.109 227 1HB ASN 33 1HB ASN 33 -9.773 -1.427 3.352 228 2HB ASN 33 2HB ASN 33 -9.954 -1.285 1.615 229 2HD2 ASN 33 2HD2 ASN 33 -11.831 -1.914 0.909 230 1HD2 ASN 33 1HD2 ASN 33 -12.805 -3.216 1.507 231 H ARG 34 H ARG 34 -8.189 -2.048 -0.226 232 HA ARG 34 HA ARG 34 -9.593 -4.069 -1.477 233 1HB ARG 34 1HB ARG 34 -8.515 -1.698 -2.279 234 2HB ARG 34 2HB ARG 34 -7.295 -2.775 -2.930 235 1HG ARG 34 1HG ARG 34 -10.290 -3.074 -3.455 236 2HG ARG 34 2HG ARG 34 -9.183 -2.257 -4.541 237 1HD ARG 34 1HD ARG 34 -7.798 -4.516 -4.415 238 2HD ARG 34 2HD ARG 34 -9.301 -5.206 -3.835 239 HE ARG 34 HE ARG 34 -9.816 -3.637 -6.193 240 1HH1 ARG 34 1HH1 ARG 34 -8.377 -6.687 -5.189 241 2HH1 ARG 34 2HH1 ARG 34 -8.680 -7.475 -6.701 242 1HH2 ARG 34 1HH2 ARG 34 -10.217 -4.676 -8.188 243 2HH2 ARG 34 2HH2 ARG 34 -9.734 -6.323 -8.419 244 H GLY 35 H GLY 35 -6.299 -3.872 -0.219 245 1HA GLY 35 1HA GLY 35 -5.690 -6.499 -1.442 246 2HA GLY 35 2HA GLY 35 -5.329 -6.093 0.224 247 H CYS 36 H CYS 36 -3.872 -4.116 0.592 248 HA CYS 36 HA CYS 36 -1.473 -4.474 -0.639 249 1HB CYS 36 1HB CYS 36 -3.173 -3.152 -2.435 250 2HB CYS 36 2HB CYS 36 -2.139 -1.896 -1.783 251 H CYS 37 H CYS 37 -0.589 -1.657 -0.636 252 HA CYS 37 HA CYS 37 -1.214 -0.977 2.147 253 1HB CYS 37 1HB CYS 37 1.405 -1.223 0.745 254 2HB CYS 37 2HB CYS 37 1.227 0.075 1.908 255 H PHE 38 H PHE 38 -1.230 1.358 2.599 256 HA PHE 38 HA PHE 38 -1.575 2.935 0.145 257 1HB PHE 38 1HB PHE 38 -3.670 2.604 1.428 258 2HB PHE 38 2HB PHE 38 -2.860 2.980 2.935 259 HD1 PHE 38 HD1 PHE 38 -4.145 4.416 -0.204 260 HD2 PHE 38 HD2 PHE 38 -2.552 5.241 3.642 261 HE1 PHE 38 HE1 PHE 38 -4.821 6.822 -0.440 262 HE2 PHE 38 HE2 PHE 38 -3.228 7.647 3.406 263 HZ PHE 38 HZ PHE 38 -4.354 8.409 1.368 264 H ASP 39 H ASP 39 -1.370 5.433 0.723 265 HA ASP 39 HA ASP 39 0.223 6.194 2.834 266 1HB ASP 39 1HB ASP 39 2.010 4.886 1.745 267 2HB ASP 39 2HB ASP 39 1.720 5.698 0.219 268 H SER 40 H SER 40 0.452 8.536 2.781 269 HA SER 40 HA SER 40 -0.405 9.778 0.295 270 1HB SER 40 1HB SER 40 -1.882 11.305 1.499 271 2HB SER 40 2HB SER 40 -2.347 9.654 1.859 272 HG SER 40 HG SER 40 -1.851 11.520 3.634 273 H ARG 41 H ARG 41 2.182 9.301 1.996 274 HA ARG 41 HA ARG 41 2.947 11.660 3.146 275 1HB ARG 41 1HB ARG 41 4.095 9.212 2.849 276 2HB ARG 41 2HB ARG 41 5.011 10.073 1.629 277 1HG ARG 41 1HG ARG 41 4.735 11.539 4.207 278 2HG ARG 41 2HG ARG 41 5.624 10.034 4.328 279 1HD ARG 41 1HD ARG 41 7.163 10.753 2.524 280 2HD ARG 41 2HD ARG 41 6.233 12.217 2.276 281 HE ARG 41 HE ARG 41 7.148 11.898 5.040 282 1HH1 ARG 41 1HH1 ARG 41 8.013 13.085 1.842 283 2HH1 ARG 41 2HH1 ARG 41 9.192 14.206 2.437 284 1HH2 ARG 41 1HH2 ARG 41 8.703 13.377 5.826 285 2HH2 ARG 41 2HH2 ARG 41 9.587 14.373 4.718 286 H ILE 42 H ILE 42 3.493 10.443 -0.238 287 HA ILE 42 HA ILE 42 3.599 13.211 -1.124 288 HB ILE 42 HB ILE 42 5.603 12.114 -2.618 289 1HG1 ILE 42 1HG1 ILE 42 7.206 11.118 -1.011 290 2HG1 ILE 42 2HG1 ILE 42 5.956 11.095 0.216 291 1HG2 ILE 42 1HG2 ILE 42 5.283 14.129 -0.558 292 2HG2 ILE 42 2HG2 ILE 42 6.905 13.397 -0.506 293 3HG2 ILE 42 3HG2 ILE 42 6.308 14.132 -2.013 294 1HD1 ILE 42 1HD1 ILE 42 5.102 9.876 -2.348 295 2HD1 ILE 42 2HD1 ILE 42 6.462 9.038 -1.563 296 3HD1 ILE 42 3HD1 ILE 42 4.930 9.264 -0.685 297 HA PRO 43 HA PRO 43 1.149 11.359 -4.178 298 1HB PRO 43 1HB PRO 43 0.822 13.516 -5.824 299 2HB PRO 43 2HB PRO 43 -0.141 13.256 -4.382 300 1HG PRO 43 1HG PRO 43 2.071 15.170 -4.814 301 2HG PRO 43 2HG PRO 43 0.839 15.178 -3.568 302 1HD PRO 43 1HD PRO 43 3.576 14.375 -3.270 303 2HD PRO 43 2HD PRO 43 2.317 14.275 -2.056 304 H GLY 44 H GLY 44 3.998 13.154 -5.121 305 1HA GLY 44 1HA GLY 44 5.640 12.536 -6.551 306 2HA GLY 44 2HA GLY 44 4.326 12.489 -7.710 307 H VAL 45 H VAL 45 4.484 10.284 -4.900 308 HA VAL 45 HA VAL 45 5.328 8.131 -6.699 309 HB VAL 45 HB VAL 45 6.323 7.137 -4.933 310 1HG1 VAL 45 1HG1 VAL 45 6.161 10.023 -4.003 311 2HG1 VAL 45 2HG1 VAL 45 7.297 8.812 -3.360 312 3HG1 VAL 45 3HG1 VAL 45 7.391 9.302 -5.069 313 1HG2 VAL 45 1HG2 VAL 45 4.122 8.305 -3.218 314 2HG2 VAL 45 2HG2 VAL 45 4.456 6.597 -3.592 315 3HG2 VAL 45 3HG2 VAL 45 5.549 7.504 -2.519 316 HA PRO 46 HA PRO 46 1.479 6.186 -6.367 317 1HB PRO 46 1HB PRO 46 2.025 3.536 -5.983 318 2HB PRO 46 2HB PRO 46 2.154 4.324 -7.542 319 1HG PRO 46 1HG PRO 46 4.313 3.482 -5.706 320 2HG PRO 46 2HG PRO 46 4.412 3.870 -7.412 321 1HD PRO 46 1HD PRO 46 5.231 5.534 -5.224 322 2HD PRO 46 2HD PRO 46 5.222 5.965 -6.922 323 H TRP 47 H TRP 47 0.539 7.263 -4.628 324 HA TRP 47 HA TRP 47 0.959 6.969 -2.040 325 1HB TRP 47 1HB TRP 47 -1.540 7.254 -3.631 326 2HB TRP 47 2HB TRP 47 -1.707 6.901 -1.923 327 HD1 TRP 47 HD1 TRP 47 1.181 9.170 -3.083 328 HE1 TRP 47 HE1 TRP 47 0.856 11.647 -2.231 329 HE3 TRP 47 HE3 TRP 47 -3.522 8.488 -1.273 330 HZ2 TRP 47 HZ2 TRP 47 -1.283 13.012 -0.926 331 HZ3 TRP 47 HZ3 TRP 47 -4.658 10.444 -0.225 332 HH2 TRP 47 HH2 TRP 47 -3.615 12.647 -0.036 333 H CYS 48 H CYS 48 -1.025 4.658 -4.030 334 HA CYS 48 HA CYS 48 -0.927 2.780 -1.822 335 1HB CYS 48 1HB CYS 48 -3.026 3.347 -3.197 336 2HB CYS 48 2HB CYS 48 -2.317 2.362 -4.462 337 H PHE 49 H PHE 49 0.886 1.493 -1.739 338 HA PHE 49 HA PHE 49 1.865 0.445 -4.294 339 1HB PHE 49 1HB PHE 49 4.177 0.650 -3.086 340 2HB PHE 49 2HB PHE 49 3.462 2.150 -3.640 341 HD1 PHE 49 HD1 PHE 49 3.609 -0.019 -0.610 342 HD2 PHE 49 HD2 PHE 49 3.262 3.917 -2.157 343 HE1 PHE 49 HE1 PHE 49 3.748 0.908 1.719 344 HE2 PHE 49 HE2 PHE 49 3.401 4.844 0.172 345 HZ PHE 49 HZ PHE 49 3.642 3.329 2.082 346 H LYS 50 H LYS 50 3.210 -1.577 -4.003 347 HA LYS 50 HA LYS 50 1.816 -3.389 -2.373 348 1HB LYS 50 1HB LYS 50 4.376 -3.592 -3.974 349 2HB LYS 50 2HB LYS 50 3.695 -4.948 -3.098 350 1HG LYS 50 1HG LYS 50 1.480 -3.932 -4.477 351 2HG LYS 50 2HG LYS 50 2.788 -3.694 -5.620 352 1HD LYS 50 1HD LYS 50 3.237 -6.283 -4.570 353 2HD LYS 50 2HD LYS 50 1.498 -6.192 -4.770 354 1HE LYS 50 1HE LYS 50 2.459 -5.023 -7.131 355 2HE LYS 50 2HE LYS 50 3.619 -6.301 -6.828 356 1HZ LYS 50 1HZ LYS 50 0.727 -6.768 -6.724 357 2HZ LYS 50 2HZ LYS 50 1.593 -6.934 -8.099 358 3HZ LYS 50 3HZ LYS 50 1.917 -7.883 -6.810 359 HA PRO 51 HA PRO 51 4.053 -3.272 1.316 360 1HB PRO 51 1HB PRO 51 4.094 -5.876 2.144 361 2HB PRO 51 2HB PRO 51 2.694 -4.836 2.319 362 1HG PRO 51 1HG PRO 51 3.146 -7.025 0.384 363 2HG PRO 51 2HG PRO 51 1.636 -6.273 0.857 364 1HD PRO 51 1HD PRO 51 3.089 -5.826 -1.576 365 2HD PRO 51 2HD PRO 51 1.641 -4.989 -1.051 366 H LEU 52 H LEU 52 6.090 -2.610 1.512 367 HA LEU 52 HA LEU 52 8.144 -3.270 -0.001 368 1HB LEU 52 1HB LEU 52 8.313 -1.621 1.707 369 2HB LEU 52 2HB LEU 52 8.114 -2.811 2.978 370 HG LEU 52 HG LEU 52 10.492 -2.664 1.104 371 1HD1 LEU 52 1HD1 LEU 52 9.848 -1.062 3.375 372 2HD1 LEU 52 2HD1 LEU 52 11.206 -2.130 3.806 373 3HD1 LEU 52 3HD1 LEU 52 11.328 -1.063 2.386 374 1HD2 LEU 52 1HD2 LEU 52 9.602 -4.642 3.088 375 2HD2 LEU 52 2HD2 LEU 52 10.759 -4.793 1.744 376 3HD2 LEU 52 3HD2 LEU 52 11.284 -4.098 3.297 377 H GLN 53 H GLN 53 9.493 -4.965 -0.463 378 HA GLN 53 HA GLN 53 8.668 -7.501 0.321 379 1HB GLN 53 1HB GLN 53 10.798 -8.244 -0.830 380 2HB GLN 53 2HB GLN 53 9.771 -7.209 -1.803 381 1HG GLN 53 1HG GLN 53 11.735 -5.716 -0.148 382 2HG GLN 53 2HG GLN 53 12.476 -6.785 -1.323 383 2HE2 GLN 53 2HE2 GLN 53 11.229 -3.772 -0.794 384 1HE2 GLN 53 1HE2 GLN 53 10.932 -3.247 -2.417 385 H GLU 54 H GLU 54 8.641 -7.192 2.721 386 HA GLU 54 HA GLU 54 10.839 -6.606 4.209 387 1HB GLU 54 1HB GLU 54 9.685 -7.693 6.063 388 2HB GLU 54 2HB GLU 54 8.505 -6.862 5.068 389 1HG GLU 54 1HG GLU 54 7.376 -8.836 4.993 390 2HG GLU 54 2HG GLU 54 8.610 -9.381 3.875 391 H ALA 55 H ALA 55 12.835 -7.492 3.693 392 HA ALA 55 HA ALA 55 13.133 -10.313 4.269 393 1HB ALA 55 1HB ALA 55 12.801 -10.634 1.980 394 2HB ALA 55 2HB ALA 55 14.567 -10.423 2.067 395 3HB ALA 55 3HB ALA 55 13.533 -9.069 1.550 396 H GLU 56 H GLU 56 15.036 -7.674 2.642 397 HA GLU 56 HA GLU 56 16.754 -7.682 4.982 398 1HB GLU 56 1HB GLU 56 17.523 -8.363 2.161 399 2HB GLU 56 2HB GLU 56 18.649 -7.375 3.071 400 1HG GLU 56 1HG GLU 56 17.663 -9.582 4.723 401 2HG GLU 56 2HG GLU 56 18.332 -10.194 3.223 402 H CYS 57 H CYS 57 18.643 -5.803 4.219 403 HA CYS 57 HA CYS 57 17.275 -3.435 4.515 404 1HB CYS 57 1HB CYS 57 20.068 -4.132 3.678 405 2HB CYS 57 2HB CYS 57 19.531 -2.466 3.590 406 H THR 58 H THR 58 16.767 -1.715 3.004 407 HA THR 58 HA THR 58 15.728 -2.551 0.564 408 HB THR 58 HB THR 58 15.505 -0.060 0.203 409 HG1 THR 58 HG1 THR 58 17.333 0.848 1.131 410 1HG2 THR 58 1HG2 THR 58 14.350 -1.540 2.295 411 2HG2 THR 58 2HG2 THR 58 15.044 -0.125 3.123 412 3HG2 THR 58 3HG2 THR 58 13.869 0.103 1.805 413 H PHE 59 H PHE 59 18.726 -0.588 1.152 414 HA PHE 59 HA PHE 59 19.513 -0.592 -1.509 415 1HB PHE 59 1HB PHE 59 20.436 0.894 0.255 416 2HB PHE 59 2HB PHE 59 20.988 -0.485 1.185 417 HD1 PHE 59 HD1 PHE 59 21.457 1.029 -2.198 418 HD2 PHE 59 HD2 PHE 59 23.217 -1.066 1.046 419 HE1 PHE 59 HE1 PHE 59 23.696 1.167 -3.323 420 HE2 PHE 59 HE2 PHE 59 25.456 -0.927 -0.079 421 HZ PHE 59 HZ PHE 59 25.669 0.187 -2.251 No H/Q in entry = 421 Start of MODEL 10 1 H GLU 1 H GLU 1 10.747 -13.096 18.553 2 HA GLU 1 HA GLU 1 11.228 -12.552 16.034 3 1HB GLU 1 1HB GLU 1 8.732 -13.749 17.278 4 2HB GLU 1 2HB GLU 1 8.921 -13.677 15.537 5 1HG GLU 1 1HG GLU 1 10.826 -15.108 15.553 6 2HG GLU 1 2HG GLU 1 11.144 -14.827 17.253 7 H GLU 2 H GLU 2 9.339 -11.997 14.264 8 HA GLU 2 HA GLU 2 8.650 -9.266 14.922 9 1HB GLU 2 1HB GLU 2 9.176 -10.801 12.405 10 2HB GLU 2 2HB GLU 2 8.012 -9.496 12.286 11 1HG GLU 2 1HG GLU 2 9.590 -7.842 12.774 12 2HG GLU 2 2HG GLU 2 10.577 -8.913 13.749 13 H TYR 3 H TYR 3 6.486 -8.630 13.436 14 HA TYR 3 HA TYR 3 4.425 -10.431 14.501 15 1HB TYR 3 1HB TYR 3 4.754 -7.879 15.118 16 2HB TYR 3 2HB TYR 3 4.234 -7.538 13.479 17 HD1 TYR 3 HD1 TYR 3 1.903 -8.049 12.768 18 HD2 TYR 3 HD2 TYR 3 3.179 -8.548 16.821 19 HE1 TYR 3 HE1 TYR 3 -0.521 -8.122 13.530 20 HE2 TYR 3 HE2 TYR 3 0.750 -8.619 17.569 21 HH TYR 3 HH TYR 3 -1.794 -9.030 15.394 22 H VAL 4 H VAL 4 5.346 -8.408 11.639 23 HA VAL 4 HA VAL 4 4.964 -8.722 9.477 24 HB VAL 4 HB VAL 4 3.595 -11.327 10.150 25 1HG1 VAL 4 1HG1 VAL 4 4.041 -9.977 7.719 26 2HG1 VAL 4 2HG1 VAL 4 5.232 -11.299 7.763 27 3HG1 VAL 4 3HG1 VAL 4 3.498 -11.656 7.945 28 1HG2 VAL 4 1HG2 VAL 4 5.858 -11.112 11.246 29 2HG2 VAL 4 2HG2 VAL 4 5.706 -12.451 10.082 30 3HG2 VAL 4 3HG2 VAL 4 6.557 -10.959 9.616 31 H GLY 5 H GLY 5 3.457 -6.883 10.502 32 1HA GLY 5 1HA GLY 5 0.631 -7.513 10.335 33 2HA GLY 5 2HA GLY 5 1.255 -6.551 9.010 34 H LEU 6 H LEU 6 2.822 -6.294 12.170 35 HA LEU 6 HA LEU 6 1.192 -4.132 13.073 36 1HB LEU 6 1HB LEU 6 2.207 -4.464 15.014 37 2HB LEU 6 2HB LEU 6 2.814 -5.933 14.276 38 HG LEU 6 HG LEU 6 4.782 -4.305 13.501 39 1HD1 LEU 6 1HD1 LEU 6 3.657 -2.978 15.978 40 2HD1 LEU 6 2HD1 LEU 6 5.316 -2.732 15.380 41 3HD1 LEU 6 3HD1 LEU 6 3.927 -2.255 14.374 42 1HD2 LEU 6 1HD2 LEU 6 4.337 -6.024 15.852 43 2HD2 LEU 6 2HD2 LEU 6 5.648 -6.028 14.647 44 3HD2 LEU 6 3HD2 LEU 6 5.691 -4.879 16.006 45 H SER 7 H SER 7 1.785 -1.899 13.233 46 HA SER 7 HA SER 7 2.503 -0.029 12.393 47 1HB SER 7 1HB SER 7 5.088 -0.023 11.803 48 2HB SER 7 2HB SER 7 4.559 -0.186 13.465 49 HG SER 7 HG SER 7 5.833 -2.049 11.794 50 H ALA 8 H ALA 8 4.142 0.847 10.351 51 HA ALA 8 HA ALA 8 2.826 -0.333 8.043 52 1HB ALA 8 1HB ALA 8 4.376 1.844 7.221 53 2HB ALA 8 2HB ALA 8 3.832 2.294 8.855 54 3HB ALA 8 3HB ALA 8 2.638 1.870 7.605 55 H ASN 9 H ASN 9 5.029 -1.726 9.565 56 HA ASN 9 HA ASN 9 7.463 -1.529 8.499 57 1HB ASN 9 1HB ASN 9 6.291 -3.319 10.143 58 2HB ASN 9 2HB ASN 9 6.266 -4.304 8.694 59 2HD2 ASN 9 2HD2 ASN 9 8.362 -2.323 10.748 60 1HD2 ASN 9 1HD2 ASN 9 9.831 -3.205 10.494 61 H GLN 10 H GLN 10 4.559 -3.192 7.117 62 HA GLN 10 HA GLN 10 5.980 -4.134 4.859 63 1HB GLN 10 1HB GLN 10 2.991 -3.879 4.798 64 2HB GLN 10 2HB GLN 10 4.004 -5.216 4.291 65 1HG GLN 10 1HG GLN 10 3.300 -6.187 6.243 66 2HG GLN 10 2HG GLN 10 4.556 -5.209 6.976 67 2HE2 GLN 10 2HE2 GLN 10 3.575 -4.925 8.912 68 1HE2 GLN 10 1HE2 GLN 10 2.142 -3.985 9.164 69 H CYS 11 H CYS 11 4.180 -1.210 5.734 70 HA CYS 11 HA CYS 11 4.426 -0.305 2.960 71 1HB CYS 11 1HB CYS 11 2.745 1.208 4.884 72 2HB CYS 11 2HB CYS 11 2.531 0.934 3.166 73 H ALA 12 H ALA 12 6.756 -0.399 4.525 74 HA ALA 12 HA ALA 12 7.084 2.406 5.348 75 1HB ALA 12 1HB ALA 12 9.095 1.343 6.626 76 2HB ALA 12 2HB ALA 12 7.454 1.113 7.276 77 3HB ALA 12 3HB ALA 12 8.242 -0.197 6.364 78 H VAL 13 H VAL 13 7.145 2.159 2.689 79 HA VAL 13 HA VAL 13 9.894 1.570 1.916 80 HB VAL 13 HB VAL 13 7.947 2.482 -0.098 81 1HG1 VAL 13 1HG1 VAL 13 10.227 0.647 0.164 82 2HG1 VAL 13 2HG1 VAL 13 8.898 -0.006 -0.824 83 3HG1 VAL 13 3HG1 VAL 13 9.640 1.556 -1.249 84 1HG2 VAL 13 1HG2 VAL 13 7.406 0.093 1.655 85 2HG2 VAL 13 2HG2 VAL 13 6.279 1.326 1.040 86 3HG2 VAL 13 3HG2 VAL 13 6.924 0.083 -0.058 87 HA PRO 14 HA PRO 14 10.900 5.770 1.753 88 1HB PRO 14 1HB PRO 14 12.986 5.751 -0.013 89 2HB PRO 14 2HB PRO 14 13.153 5.302 1.672 90 1HG PRO 14 1HG PRO 14 13.091 3.557 -0.713 91 2HG PRO 14 2HG PRO 14 13.671 3.191 0.899 92 1HD PRO 14 1HD PRO 14 11.185 2.353 -0.260 93 2HD PRO 14 2HD PRO 14 11.715 2.086 1.389 94 H ALA 15 H ALA 15 9.227 4.297 -0.569 95 HA ALA 15 HA ALA 15 7.800 5.254 -2.021 96 1HB ALA 15 1HB ALA 15 8.667 7.501 -0.693 97 2HB ALA 15 2HB ALA 15 7.484 7.502 -2.023 98 3HB ALA 15 3HB ALA 15 9.199 7.841 -2.358 99 H LYS 16 H LYS 16 11.289 5.244 -2.194 100 HA LYS 16 HA LYS 16 11.256 5.455 -5.092 101 1HB LYS 16 1HB LYS 16 13.696 5.445 -4.889 102 2HB LYS 16 2HB LYS 16 12.971 6.689 -3.892 103 1HG LYS 16 1HG LYS 16 14.684 5.576 -2.571 104 2HG LYS 16 2HG LYS 16 13.123 5.142 -1.903 105 1HD LYS 16 1HD LYS 16 13.247 2.934 -2.657 106 2HD LYS 16 2HD LYS 16 14.240 3.343 -4.041 107 1HE LYS 16 1HE LYS 16 16.217 3.194 -2.851 108 2HE LYS 16 2HE LYS 16 15.513 3.847 -1.385 109 1HZ LYS 16 1HZ LYS 16 14.331 1.695 -1.173 110 2HZ LYS 16 2HZ LYS 16 15.225 1.113 -2.410 111 3HZ LYS 16 3HZ LYS 16 15.954 1.584 -1.026 112 H ASP 17 H ASP 17 10.330 3.141 -3.007 113 HA ASP 17 HA ASP 17 11.451 1.069 -4.719 114 1HB ASP 17 1HB ASP 17 11.762 1.389 -1.871 115 2HB ASP 17 2HB ASP 17 10.725 0.000 -2.128 116 H ARG 18 H ARG 18 8.853 2.741 -4.562 117 HA ARG 18 HA ARG 18 6.889 0.970 -3.590 118 1HB ARG 18 1HB ARG 18 6.437 3.258 -5.557 119 2HB ARG 18 2HB ARG 18 5.295 2.614 -4.394 120 1HG ARG 18 1HG ARG 18 7.924 3.782 -3.432 121 2HG ARG 18 2HG ARG 18 6.600 4.851 -3.849 122 1HD ARG 18 1HD ARG 18 5.329 2.929 -2.272 123 2HD ARG 18 2HD ARG 18 6.901 3.054 -1.508 124 HE ARG 18 HE ARG 18 5.573 5.624 -2.135 125 1HH1 ARG 18 1HH1 ARG 18 6.268 3.161 0.281 126 2HH1 ARG 18 2HH1 ARG 18 5.921 4.199 1.624 127 1HH2 ARG 18 1HH2 ARG 18 5.115 6.993 -0.363 128 2HH2 ARG 18 2HH2 ARG 18 5.261 6.393 1.255 129 H VAL 19 H VAL 19 5.572 -0.500 -4.750 130 HA VAL 19 HA VAL 19 6.512 -1.075 -7.453 131 HB VAL 19 HB VAL 19 4.731 -2.706 -5.637 132 1HG1 VAL 19 1HG1 VAL 19 5.835 -3.062 -8.350 133 2HG1 VAL 19 2HG1 VAL 19 6.077 -4.452 -7.264 134 3HG1 VAL 19 3HG1 VAL 19 4.435 -3.833 -7.567 135 1HG2 VAL 19 1HG2 VAL 19 7.743 -2.605 -5.876 136 2HG2 VAL 19 2HG2 VAL 19 6.734 -2.516 -4.412 137 3HG2 VAL 19 3HG2 VAL 19 6.890 -4.055 -5.293 138 H ASP 20 H ASP 20 4.189 0.799 -5.936 139 HA ASP 20 HA ASP 20 2.257 1.624 -6.492 140 1HB ASP 20 1HB ASP 20 3.341 2.613 -8.371 141 2HB ASP 20 2HB ASP 20 3.495 1.080 -9.206 142 H CYS 21 H CYS 21 0.639 0.184 -5.738 143 HA CYS 21 HA CYS 21 0.178 -2.309 -6.982 144 1HB CYS 21 1HB CYS 21 -0.387 -1.276 -4.548 145 2HB CYS 21 2HB CYS 21 -1.954 -1.102 -5.313 146 H GLY 22 H GLY 22 -0.841 1.017 -7.496 147 1HA GLY 22 1HA GLY 22 -2.140 0.401 -9.935 148 2HA GLY 22 2HA GLY 22 -2.088 1.953 -9.121 149 H TYR 23 H TYR 23 -3.780 2.587 -7.685 150 HA TYR 23 HA TYR 23 -6.186 0.947 -7.986 151 1HB TYR 23 1HB TYR 23 -4.662 1.879 -5.529 152 2HB TYR 23 2HB TYR 23 -6.410 1.959 -5.430 153 HD1 TYR 23 HD1 TYR 23 -7.672 -0.273 -6.164 154 HD2 TYR 23 HD2 TYR 23 -3.598 -0.083 -4.872 155 HE1 TYR 23 HE1 TYR 23 -7.744 -2.739 -5.550 156 HE2 TYR 23 HE2 TYR 23 -3.684 -2.550 -4.262 157 HH TYR 23 HH TYR 23 -4.832 -4.426 -4.520 158 HA PRO 24 HA PRO 24 -7.959 4.825 -8.732 159 1HB PRO 24 1HB PRO 24 -10.608 4.248 -8.394 160 2HB PRO 24 2HB PRO 24 -9.727 3.876 -9.862 161 1HG PRO 24 1HG PRO 24 -10.607 2.045 -7.714 162 2HG PRO 24 2HG PRO 24 -10.117 1.660 -9.352 163 1HD PRO 24 1HD PRO 24 -8.559 1.312 -6.969 164 2HD PRO 24 2HD PRO 24 -8.030 1.037 -8.617 165 H HIS 25 H HIS 25 -10.169 3.633 -6.272 166 HA HIS 25 HA HIS 25 -9.810 6.145 -4.904 167 1HB HIS 25 1HB HIS 25 -11.717 5.498 -3.598 168 2HB HIS 25 2HB HIS 25 -12.058 5.203 -5.292 169 HD1 HIS 25 HD1 HIS 25 -13.825 3.689 -3.462 170 HD2 HIS 25 HD2 HIS 25 -10.057 2.217 -4.573 171 HE1 HIS 25 HE1 HIS 25 -13.904 1.166 -3.089 172 HE2 HIS 25 HE2 HIS 25 -11.581 0.311 -3.840 173 H VAL 26 H VAL 26 -7.576 5.885 -4.235 174 HA VAL 26 HA VAL 26 -7.076 3.709 -2.370 175 HB VAL 26 HB VAL 26 -4.752 4.604 -2.451 176 1HG1 VAL 26 1HG1 VAL 26 -6.045 3.894 -5.106 177 2HG1 VAL 26 2HG1 VAL 26 -4.298 3.844 -4.770 178 3HG1 VAL 26 3HG1 VAL 26 -5.405 2.760 -3.893 179 1HG2 VAL 26 1HG2 VAL 26 -5.525 6.960 -3.079 180 2HG2 VAL 26 2HG2 VAL 26 -4.101 6.325 -3.938 181 3HG2 VAL 26 3HG2 VAL 26 -5.689 6.346 -4.742 182 H THR 27 H THR 27 -6.838 3.974 -0.165 183 HA THR 27 HA THR 27 -6.649 6.648 0.923 184 HB THR 27 HB THR 27 -8.775 6.682 1.966 185 HG1 THR 27 HG1 THR 27 -9.934 4.569 2.139 186 1HG2 THR 27 1HG2 THR 27 -9.210 5.033 -0.581 187 2HG2 THR 27 2HG2 THR 27 -10.502 5.852 0.329 188 3HG2 THR 27 3HG2 THR 27 -9.233 6.810 -0.472 189 HA PRO 28 HA PRO 28 -4.672 4.577 4.122 190 1HB PRO 28 1HB PRO 28 -5.369 5.928 6.393 191 2HB PRO 28 2HB PRO 28 -4.176 6.520 5.254 192 1HG PRO 28 1HG PRO 28 -6.956 7.435 5.668 193 2HG PRO 28 2HG PRO 28 -5.637 8.261 4.864 194 1HD PRO 28 1HD PRO 28 -7.842 6.922 3.610 195 2HD PRO 28 2HD PRO 28 -6.464 7.648 2.808 196 H LYS 29 H LYS 29 -7.000 3.250 3.274 197 HA LYS 29 HA LYS 29 -7.217 1.397 5.326 198 1HB LYS 29 1HB LYS 29 -8.505 3.497 6.260 199 2HB LYS 29 2HB LYS 29 -9.786 2.946 5.199 200 1HG LYS 29 1HG LYS 29 -8.466 0.863 6.920 201 2HG LYS 29 2HG LYS 29 -9.487 2.029 7.737 202 1HD LYS 29 1HD LYS 29 -11.434 1.310 6.651 203 2HD LYS 29 2HD LYS 29 -10.570 0.755 5.231 204 1HE LYS 29 1HE LYS 29 -10.824 -1.340 6.098 205 2HE LYS 29 2HE LYS 29 -9.527 -0.909 7.194 206 1HZ LYS 29 1HZ LYS 29 -12.321 -0.278 7.803 207 2HZ LYS 29 2HZ LYS 29 -11.653 -1.710 8.210 208 3HZ LYS 29 3HZ LYS 29 -11.053 -0.324 8.830 209 H GLU 30 H GLU 30 -8.834 3.080 2.586 210 HA GLU 30 HA GLU 30 -10.144 0.707 1.766 211 1HB GLU 30 1HB GLU 30 -11.050 2.977 1.306 212 2HB GLU 30 2HB GLU 30 -9.669 3.334 0.288 213 1HG GLU 30 1HG GLU 30 -10.913 2.518 -1.436 214 2HG GLU 30 2HG GLU 30 -10.565 0.928 -0.787 215 H CYS 31 H CYS 31 -7.145 2.479 0.881 216 HA CYS 31 HA CYS 31 -6.593 0.853 -1.363 217 1HB CYS 31 1HB CYS 31 -5.536 2.867 -1.530 218 2HB CYS 31 2HB CYS 31 -5.170 2.958 0.182 219 H ASN 32 H ASN 32 -6.076 0.695 2.144 220 HA ASN 32 HA ASN 32 -4.200 -1.470 1.827 221 1HB ASN 32 1HB ASN 32 -3.531 -0.950 3.971 222 2HB ASN 32 2HB ASN 32 -4.424 0.535 3.716 223 2HD2 ASN 32 2HD2 ASN 32 -3.888 -1.626 5.941 224 1HD2 ASN 32 1HD2 ASN 32 -5.418 -1.772 6.739 225 H ASN 33 H ASN 33 -7.476 -1.121 1.578 226 HA ASN 33 HA ASN 33 -8.106 -3.445 3.197 227 1HB ASN 33 1HB ASN 33 -9.694 -1.693 3.592 228 2HB ASN 33 2HB ASN 33 -9.758 -1.243 1.899 229 2HD2 ASN 33 2HD2 ASN 33 -12.011 -1.381 1.959 230 1HD2 ASN 33 1HD2 ASN 33 -12.855 -2.892 1.901 231 H ARG 34 H ARG 34 -8.261 -2.032 -0.129 232 HA ARG 34 HA ARG 34 -9.602 -4.061 -1.363 233 1HB ARG 34 1HB ARG 34 -8.522 -1.689 -2.170 234 2HB ARG 34 2HB ARG 34 -7.329 -2.772 -2.858 235 1HG ARG 34 1HG ARG 34 -10.337 -3.042 -3.313 236 2HG ARG 34 2HG ARG 34 -9.251 -2.224 -4.418 237 1HD ARG 34 1HD ARG 34 -7.884 -4.518 -4.299 238 2HD ARG 34 2HD ARG 34 -9.417 -5.175 -3.763 239 HE ARG 34 HE ARG 34 -9.695 -3.513 -6.148 240 1HH1 ARG 34 1HH1 ARG 34 -8.899 -6.740 -4.993 241 2HH1 ARG 34 2HH1 ARG 34 -9.318 -7.515 -6.485 242 1HH2 ARG 34 1HH2 ARG 34 -10.247 -4.535 -8.116 243 2HH2 ARG 34 2HH2 ARG 34 -10.090 -6.253 -8.273 244 H GLY 35 H GLY 35 -6.263 -3.864 -0.204 245 1HA GLY 35 1HA GLY 35 -5.689 -6.485 -1.453 246 2HA GLY 35 2HA GLY 35 -5.307 -6.109 0.215 247 H CYS 36 H CYS 36 -3.830 -4.160 0.607 248 HA CYS 36 HA CYS 36 -1.446 -4.494 -0.627 249 1HB CYS 36 1HB CYS 36 -3.161 -3.157 -2.423 250 2HB CYS 36 2HB CYS 36 -2.068 -1.935 -1.805 251 H CYS 37 H CYS 37 -0.559 -1.683 -0.649 252 HA CYS 37 HA CYS 37 -1.190 -0.977 2.125 253 1HB CYS 37 1HB CYS 37 1.427 -1.204 0.713 254 2HB CYS 37 2HB CYS 37 1.239 0.093 1.876 255 H PHE 38 H PHE 38 -1.187 1.372 2.559 256 HA PHE 38 HA PHE 38 -1.561 2.923 0.093 257 1HB PHE 38 1HB PHE 38 -3.657 2.585 1.372 258 2HB PHE 38 2HB PHE 38 -2.854 2.975 2.879 259 HD1 PHE 38 HD1 PHE 38 -4.043 4.408 -0.314 260 HD2 PHE 38 HD2 PHE 38 -2.664 5.219 3.617 261 HE1 PHE 38 HE1 PHE 38 -4.736 6.807 -0.566 262 HE2 PHE 38 HE2 PHE 38 -3.358 7.618 3.365 263 HZ PHE 38 HZ PHE 38 -4.386 8.383 1.277 264 H ASP 39 H ASP 39 -1.381 5.428 0.657 265 HA ASP 39 HA ASP 39 0.203 6.214 2.765 266 1HB ASP 39 1HB ASP 39 2.005 4.919 1.689 267 2HB ASP 39 2HB ASP 39 1.706 5.713 0.155 268 H SER 40 H SER 40 0.464 8.563 2.678 269 HA SER 40 HA SER 40 -0.392 9.788 0.189 270 1HB SER 40 1HB SER 40 -1.933 11.282 1.342 271 2HB SER 40 2HB SER 40 -2.370 9.626 1.712 272 HG SER 40 HG SER 40 -2.393 10.823 3.652 273 H ARG 41 H ARG 41 2.155 9.352 1.959 274 HA ARG 41 HA ARG 41 2.840 11.743 3.112 275 1HB ARG 41 1HB ARG 41 4.024 9.300 2.914 276 2HB ARG 41 2HB ARG 41 4.986 10.150 1.722 277 1HG ARG 41 1HG ARG 41 4.582 11.673 4.243 278 2HG ARG 41 2HG ARG 41 5.455 10.169 4.459 279 1HD ARG 41 1HD ARG 41 6.537 11.380 2.102 280 2HD ARG 41 2HD ARG 41 6.390 12.665 3.284 281 HE ARG 41 HE ARG 41 8.070 11.653 4.565 282 1HH1 ARG 41 1HH1 ARG 41 6.832 9.324 2.236 283 2HH1 ARG 41 2HH1 ARG 41 8.041 8.135 2.590 284 1HH2 ARG 41 1HH2 ARG 41 9.666 10.085 5.032 285 2HH2 ARG 41 2HH2 ARG 41 9.664 8.571 4.191 286 H ILE 42 H ILE 42 3.363 10.490 -0.248 287 HA ILE 42 HA ILE 42 3.569 13.234 -1.164 288 HB ILE 42 HB ILE 42 5.587 12.098 -2.605 289 1HG1 ILE 42 1HG1 ILE 42 7.147 11.097 -0.959 290 2HG1 ILE 42 2HG1 ILE 42 5.872 11.098 0.244 291 1HG2 ILE 42 1HG2 ILE 42 5.375 14.012 -0.349 292 2HG2 ILE 42 2HG2 ILE 42 7.003 13.398 -0.725 293 3HG2 ILE 42 3HG2 ILE 42 6.049 14.221 -1.983 294 1HD1 ILE 42 1HD1 ILE 42 5.104 9.861 -2.352 295 2HD1 ILE 42 2HD1 ILE 42 6.383 9.004 -1.458 296 3HD1 ILE 42 3HD1 ILE 42 4.804 9.299 -0.690 297 HA PRO 43 HA PRO 43 1.140 11.348 -4.218 298 1HB PRO 43 1HB PRO 43 0.803 13.502 -5.866 299 2HB PRO 43 2HB PRO 43 -0.167 13.231 -4.432 300 1HG PRO 43 1HG PRO 43 2.028 15.168 -4.846 301 2HG PRO 43 2HG PRO 43 0.786 15.164 -3.609 302 1HD PRO 43 1HD PRO 43 3.529 14.388 -3.291 303 2HD PRO 43 2HD PRO 43 2.262 14.274 -2.086 304 H GLY 44 H GLY 44 3.975 13.177 -5.143 305 1HA GLY 44 1HA GLY 44 5.635 12.574 -6.558 306 2HA GLY 44 2HA GLY 44 4.331 12.517 -7.728 307 H VAL 45 H VAL 45 4.445 10.304 -4.929 308 HA VAL 45 HA VAL 45 5.338 8.163 -6.721 309 HB VAL 45 HB VAL 45 6.334 7.179 -4.953 310 1HG1 VAL 45 1HG1 VAL 45 6.123 10.064 -4.037 311 2HG1 VAL 45 2HG1 VAL 45 7.243 8.870 -3.339 312 3HG1 VAL 45 3HG1 VAL 45 7.394 9.337 -5.050 313 1HG2 VAL 45 1HG2 VAL 45 4.090 8.296 -3.260 314 2HG2 VAL 45 2HG2 VAL 45 4.473 6.597 -3.629 315 3HG2 VAL 45 3HG2 VAL 45 5.528 7.531 -2.541 316 HA PRO 46 HA PRO 46 1.500 6.189 -6.423 317 1HB PRO 46 1HB PRO 46 2.063 3.542 -6.043 318 2HB PRO 46 2HB PRO 46 2.198 4.337 -7.599 319 1HG PRO 46 1HG PRO 46 4.350 3.505 -5.751 320 2HG PRO 46 2HG PRO 46 4.458 3.899 -7.455 321 1HD PRO 46 1HD PRO 46 5.249 5.561 -5.255 322 2HD PRO 46 2HD PRO 46 5.249 5.998 -6.952 323 H TRP 47 H TRP 47 0.554 7.264 -4.681 324 HA TRP 47 HA TRP 47 0.954 6.962 -2.094 325 1HB TRP 47 1HB TRP 47 -1.542 7.224 -3.697 326 2HB TRP 47 2HB TRP 47 -1.709 6.878 -1.987 327 HD1 TRP 47 HD1 TRP 47 1.167 9.162 -3.142 328 HE1 TRP 47 HE1 TRP 47 0.819 11.641 -2.307 329 HE3 TRP 47 HE3 TRP 47 -3.544 8.457 -1.363 330 HZ2 TRP 47 HZ2 TRP 47 -1.339 12.998 -1.025 331 HZ3 TRP 47 HZ3 TRP 47 -4.701 10.411 -0.335 332 HH2 TRP 47 HH2 TRP 47 -3.674 12.622 -0.151 333 H CYS 48 H CYS 48 -1.014 4.645 -4.093 334 HA CYS 48 HA CYS 48 -0.916 2.762 -1.892 335 1HB CYS 48 1HB CYS 48 -2.992 3.330 -3.336 336 2HB CYS 48 2HB CYS 48 -2.261 2.289 -4.541 337 H PHE 49 H PHE 49 0.869 1.444 -1.789 338 HA PHE 49 HA PHE 49 1.894 0.413 -4.329 339 1HB PHE 49 1HB PHE 49 4.197 0.647 -3.112 340 2HB PHE 49 2HB PHE 49 3.470 2.139 -3.677 341 HD1 PHE 49 HD1 PHE 49 3.620 -0.015 -0.636 342 HD2 PHE 49 HD2 PHE 49 3.252 3.911 -2.203 343 HE1 PHE 49 HE1 PHE 49 3.740 0.924 1.689 344 HE2 PHE 49 HE2 PHE 49 3.371 4.850 0.122 345 HZ PHE 49 HZ PHE 49 3.614 3.345 2.040 346 H LYS 50 H LYS 50 3.272 -1.589 -4.006 347 HA LYS 50 HA LYS 50 1.879 -3.397 -2.356 348 1HB LYS 50 1HB LYS 50 4.470 -3.654 -3.910 349 2HB LYS 50 2HB LYS 50 3.665 -4.989 -3.111 350 1HG LYS 50 1HG LYS 50 1.553 -3.951 -4.517 351 2HG LYS 50 2HG LYS 50 2.870 -3.495 -5.580 352 1HD LYS 50 1HD LYS 50 3.468 -6.158 -4.863 353 2HD LYS 50 2HD LYS 50 1.727 -6.158 -5.068 354 1HE LYS 50 1HE LYS 50 2.611 -4.643 -7.255 355 2HE LYS 50 2HE LYS 50 3.855 -5.867 -7.101 356 1HZ LYS 50 1HZ LYS 50 1.553 -7.236 -6.769 357 2HZ LYS 50 2HZ LYS 50 1.164 -6.156 -7.930 358 3HZ LYS 50 3HZ LYS 50 2.428 -7.167 -8.146 359 HA PRO 51 HA PRO 51 4.157 -3.245 1.306 360 1HB PRO 51 1HB PRO 51 4.227 -5.843 2.150 361 2HB PRO 51 2HB PRO 51 2.821 -4.813 2.334 362 1HG PRO 51 1HG PRO 51 3.269 -7.011 0.408 363 2HG PRO 51 2HG PRO 51 1.758 -6.267 0.892 364 1HD PRO 51 1HD PRO 51 3.180 -5.825 -1.559 365 2HD PRO 51 2HD PRO 51 1.732 -4.996 -1.023 366 H LEU 52 H LEU 52 6.193 -2.599 1.543 367 HA LEU 52 HA LEU 52 8.243 -3.205 0.004 368 1HB LEU 52 1HB LEU 52 8.462 -1.610 1.730 369 2HB LEU 52 2HB LEU 52 8.185 -2.801 2.985 370 HG LEU 52 HG LEU 52 10.599 -2.912 1.171 371 1HD1 LEU 52 1HD1 LEU 52 10.458 -0.712 2.364 372 2HD1 LEU 52 2HD1 LEU 52 10.511 -1.608 3.901 373 3HD1 LEU 52 3HD1 LEU 52 11.885 -1.695 2.772 374 1HD2 LEU 52 1HD2 LEU 52 9.601 -4.465 3.460 375 2HD2 LEU 52 2HD2 LEU 52 10.750 -4.908 2.175 376 3HD2 LEU 52 3HD2 LEU 52 11.309 -3.980 3.587 377 H GLN 53 H GLN 53 9.701 -4.843 -0.429 378 HA GLN 53 HA GLN 53 8.881 -7.416 0.023 379 1HB GLN 53 1HB GLN 53 11.365 -6.091 -0.981 380 2HB GLN 53 2HB GLN 53 11.549 -7.756 -0.467 381 1HG GLN 53 1HG GLN 53 10.782 -8.316 -2.537 382 2HG GLN 53 2HG GLN 53 9.194 -7.886 -1.933 383 2HE2 GLN 53 2HE2 GLN 53 8.746 -5.454 -1.953 384 1HE2 GLN 53 1HE2 GLN 53 9.144 -4.599 -3.406 385 H GLU 54 H GLU 54 8.403 -7.738 2.268 386 HA GLU 54 HA GLU 54 10.270 -7.180 4.260 387 1HB GLU 54 1HB GLU 54 8.785 -8.603 5.693 388 2HB GLU 54 2HB GLU 54 7.904 -7.391 4.785 389 1HG GLU 54 1HG GLU 54 8.124 -9.792 3.168 390 2HG GLU 54 2HG GLU 54 7.525 -10.234 4.754 391 H ALA 55 H ALA 55 12.320 -8.059 3.652 392 HA ALA 55 HA ALA 55 12.422 -10.986 3.888 393 1HB ALA 55 1HB ALA 55 14.147 -11.032 2.179 394 2HB ALA 55 2HB ALA 55 12.724 -10.187 1.524 395 3HB ALA 55 3HB ALA 55 14.140 -9.256 2.065 396 H GLU 56 H GLU 56 13.939 -11.765 5.326 397 HA GLU 56 HA GLU 56 16.048 -10.013 6.157 398 1HB GLU 56 1HB GLU 56 14.161 -9.356 7.645 399 2HB GLU 56 2HB GLU 56 13.982 -11.020 8.163 400 1HG GLU 56 1HG GLU 56 16.766 -10.125 8.434 401 2HG GLU 56 2HG GLU 56 15.676 -9.065 9.306 402 H CYS 57 H CYS 57 17.833 -11.302 6.079 403 HA CYS 57 HA CYS 57 19.124 -13.074 6.157 404 1HB CYS 57 1HB CYS 57 18.990 -13.077 8.476 405 2HB CYS 57 2HB CYS 57 17.318 -13.600 8.493 406 H THR 58 H THR 58 18.794 -14.049 4.134 407 HA THR 58 HA THR 58 17.043 -16.379 4.150 408 HB THR 58 HB THR 58 15.599 -14.596 3.262 409 HG1 THR 58 HG1 THR 58 16.912 -16.025 1.067 410 1HG2 THR 58 1HG2 THR 58 17.456 -13.020 2.524 411 2HG2 THR 58 2HG2 THR 58 17.807 -14.142 1.188 412 3HG2 THR 58 3HG2 THR 58 16.235 -13.310 1.262 413 H PHE 59 H PHE 59 19.446 -14.376 2.340 414 HA PHE 59 HA PHE 59 20.267 -16.470 0.678 415 1HB PHE 59 1HB PHE 59 20.683 -13.996 0.366 416 2HB PHE 59 2HB PHE 59 21.685 -13.979 1.803 417 HD1 PHE 59 HD1 PHE 59 21.515 -16.067 -1.299 418 HD2 PHE 59 HD2 PHE 59 23.926 -13.791 1.349 419 HE1 PHE 59 HE1 PHE 59 23.535 -16.576 -2.700 420 HE2 PHE 59 HE2 PHE 59 25.945 -14.299 -0.052 421 HZ PHE 59 HZ PHE 59 25.726 -15.686 -2.060 No H/Q in entry = 421 Start of MODEL 11 1 H GLU 1 H GLU 1 4.594 -19.119 14.523 2 HA GLU 1 HA GLU 1 5.448 -17.125 16.406 3 1HB GLU 1 1HB GLU 1 6.797 -18.954 17.378 4 2HB GLU 1 2HB GLU 1 5.130 -19.450 17.165 5 1HG GLU 1 1HG GLU 1 5.741 -21.142 15.782 6 2HG GLU 1 2HG GLU 1 6.610 -20.039 14.734 7 H GLU 2 H GLU 2 6.103 -15.859 14.260 8 HA GLU 2 HA GLU 2 8.948 -16.294 14.025 9 1HB GLU 2 1HB GLU 2 7.407 -17.307 12.043 10 2HB GLU 2 2HB GLU 2 7.518 -15.657 11.464 11 1HG GLU 2 1HG GLU 2 9.976 -15.748 11.502 12 2HG GLU 2 2HG GLU 2 9.947 -17.328 12.259 13 H TYR 3 H TYR 3 6.333 -14.265 12.500 14 HA TYR 3 HA TYR 3 7.088 -11.954 13.951 15 1HB TYR 3 1HB TYR 3 8.167 -10.770 12.082 16 2HB TYR 3 2HB TYR 3 8.981 -12.316 12.217 17 HD1 TYR 3 HD1 TYR 3 8.631 -14.079 10.532 18 HD2 TYR 3 HD2 TYR 3 6.744 -10.256 10.170 19 HE1 TYR 3 HE1 TYR 3 8.104 -14.562 8.093 20 HE2 TYR 3 HE2 TYR 3 6.223 -10.753 7.732 21 HH TYR 3 HH TYR 3 7.534 -12.487 5.929 22 H VAL 4 H VAL 4 5.995 -9.921 12.846 23 HA VAL 4 HA VAL 4 3.958 -10.318 10.985 24 HB VAL 4 HB VAL 4 2.903 -11.714 12.619 25 1HG1 VAL 4 1HG1 VAL 4 4.181 -10.204 14.521 26 2HG1 VAL 4 2HG1 VAL 4 2.495 -9.659 14.693 27 3HG1 VAL 4 3HG1 VAL 4 2.892 -11.388 14.848 28 1HG2 VAL 4 1HG2 VAL 4 1.732 -9.020 12.067 29 2HG2 VAL 4 2HG2 VAL 4 1.186 -10.635 11.556 30 3HG2 VAL 4 3HG2 VAL 4 0.885 -10.079 13.219 31 H GLY 5 H GLY 5 4.406 -8.347 10.091 32 1HA GLY 5 1HA GLY 5 4.872 -6.127 9.987 33 2HA GLY 5 2HA GLY 5 4.993 -6.060 11.734 34 H LEU 6 H LEU 6 3.287 -5.256 12.944 35 HA LEU 6 HA LEU 6 0.808 -4.756 11.446 36 1HB LEU 6 1HB LEU 6 -0.304 -4.814 13.677 37 2HB LEU 6 2HB LEU 6 0.305 -6.349 13.090 38 HG LEU 6 HG LEU 6 2.367 -5.186 14.673 39 1HD1 LEU 6 1HD1 LEU 6 -0.384 -4.962 15.894 40 2HD1 LEU 6 2HD1 LEU 6 1.087 -5.147 16.880 41 3HD1 LEU 6 3HD1 LEU 6 0.906 -3.738 15.807 42 1HD2 LEU 6 1HD2 LEU 6 1.951 -7.587 14.274 43 2HD2 LEU 6 2HD2 LEU 6 2.109 -7.193 16.003 44 3HD2 LEU 6 3HD2 LEU 6 0.500 -7.490 15.301 45 H SER 7 H SER 7 1.938 -2.792 10.644 46 HA SER 7 HA SER 7 1.152 -0.592 12.110 47 1HB SER 7 1HB SER 7 3.572 0.352 12.445 48 2HB SER 7 2HB SER 7 2.919 -0.747 13.643 49 HG SER 7 HG SER 7 4.076 -2.295 11.773 50 H ALA 8 H ALA 8 4.353 -0.564 10.525 51 HA ALA 8 HA ALA 8 3.101 0.208 7.998 52 1HB ALA 8 1HB ALA 8 4.677 1.916 9.850 53 2HB ALA 8 2HB ALA 8 5.172 1.981 8.141 54 3HB ALA 8 3HB ALA 8 3.496 2.370 8.598 55 H ASN 9 H ASN 9 4.794 -2.055 9.450 56 HA ASN 9 HA ASN 9 7.298 -2.088 8.372 57 1HB ASN 9 1HB ASN 9 6.490 -3.728 10.058 58 2HB ASN 9 2HB ASN 9 5.376 -4.417 8.895 59 2HD2 ASN 9 2HD2 ASN 9 8.434 -4.562 10.246 60 1HD2 ASN 9 1HD2 ASN 9 9.213 -5.645 9.141 61 H GLN 10 H GLN 10 4.153 -3.388 7.092 62 HA GLN 10 HA GLN 10 5.279 -4.405 4.743 63 1HB GLN 10 1HB GLN 10 2.768 -4.288 3.991 64 2HB GLN 10 2HB GLN 10 3.217 -5.366 5.298 65 1HG GLN 10 1HG GLN 10 2.591 -2.628 6.234 66 2HG GLN 10 2HG GLN 10 1.242 -3.390 5.416 67 2HE2 GLN 10 2HE2 GLN 10 2.653 -2.924 8.315 68 1HE2 GLN 10 1HE2 GLN 10 2.094 -4.301 9.204 69 H CYS 11 H CYS 11 3.867 -1.247 5.675 70 HA CYS 11 HA CYS 11 4.411 -0.307 2.957 71 1HB CYS 11 1HB CYS 11 2.894 1.474 4.729 72 2HB CYS 11 2HB CYS 11 2.623 1.039 3.053 73 H ALA 12 H ALA 12 6.634 -0.746 4.581 74 HA ALA 12 HA ALA 12 7.239 1.880 5.734 75 1HB ALA 12 1HB ALA 12 9.295 -0.033 6.241 76 2HB ALA 12 2HB ALA 12 8.128 0.659 7.394 77 3HB ALA 12 3HB ALA 12 7.736 -0.844 6.524 78 H VAL 13 H VAL 13 7.072 1.846 2.954 79 HA VAL 13 HA VAL 13 9.837 1.531 2.056 80 HB VAL 13 HB VAL 13 7.842 2.332 0.085 81 1HG1 VAL 13 1HG1 VAL 13 10.212 0.719 0.304 82 2HG1 VAL 13 2HG1 VAL 13 8.912 -0.245 -0.437 83 3HG1 VAL 13 3HG1 VAL 13 9.387 1.312 -1.157 84 1HG2 VAL 13 1HG2 VAL 13 7.347 -0.135 1.764 85 2HG2 VAL 13 2HG2 VAL 13 6.209 1.162 1.327 86 3HG2 VAL 13 3HG2 VAL 13 6.763 0.009 0.089 87 HA PRO 14 HA PRO 14 10.409 5.812 1.963 88 1HB PRO 14 1HB PRO 14 12.228 6.115 -0.053 89 2HB PRO 14 2HB PRO 14 12.664 5.588 1.561 90 1HG PRO 14 1HG PRO 14 12.448 3.990 -0.917 91 2HG PRO 14 2HG PRO 14 13.274 3.593 0.577 92 1HD PRO 14 1HD PRO 14 10.747 2.568 -0.312 93 2HD PRO 14 2HD PRO 14 11.518 2.262 1.232 94 H ALA 15 H ALA 15 10.279 4.751 -1.412 95 HA ALA 15 HA ALA 15 7.900 5.690 -2.131 96 1HB ALA 15 1HB ALA 15 9.675 7.951 -1.448 97 2HB ALA 15 2HB ALA 15 7.903 7.895 -1.605 98 3HB ALA 15 3HB ALA 15 8.919 8.081 -3.054 99 H LYS 16 H LYS 16 11.360 5.423 -2.733 100 HA LYS 16 HA LYS 16 10.949 5.391 -5.607 101 1HB LYS 16 1HB LYS 16 13.358 5.311 -5.753 102 2HB LYS 16 2HB LYS 16 12.881 6.587 -4.651 103 1HG LYS 16 1HG LYS 16 14.533 5.568 -3.369 104 2HG LYS 16 2HG LYS 16 13.135 4.675 -2.804 105 1HD LYS 16 1HD LYS 16 14.118 2.753 -3.490 106 2HD LYS 16 2HD LYS 16 14.006 3.310 -5.147 107 1HE LYS 16 1HE LYS 16 16.220 4.035 -5.211 108 2HE LYS 16 2HE LYS 16 16.255 4.442 -3.507 109 1HZ LYS 16 1HZ LYS 16 15.849 1.697 -3.782 110 2HZ LYS 16 2HZ LYS 16 17.137 2.121 -4.692 111 3HZ LYS 16 3HZ LYS 16 17.112 2.474 -3.098 112 H ASP 17 H ASP 17 10.477 3.286 -3.045 113 HA ASP 17 HA ASP 17 11.258 1.014 -4.694 114 1HB ASP 17 1HB ASP 17 11.418 1.589 -1.817 115 2HB ASP 17 2HB ASP 17 10.551 0.094 -2.108 116 H ARG 18 H ARG 18 8.722 2.908 -4.475 117 HA ARG 18 HA ARG 18 6.717 1.188 -3.477 118 1HB ARG 18 1HB ARG 18 6.268 3.565 -5.333 119 2HB ARG 18 2HB ARG 18 5.174 2.936 -4.117 120 1HG ARG 18 1HG ARG 18 7.913 4.040 -3.372 121 2HG ARG 18 2HG ARG 18 6.518 5.088 -3.535 122 1HD ARG 18 1HD ARG 18 5.494 3.060 -1.939 123 2HD ARG 18 2HD ARG 18 7.160 3.119 -1.398 124 HE ARG 18 HE ARG 18 6.002 5.783 -1.618 125 1HH1 ARG 18 1HH1 ARG 18 6.220 2.949 0.458 126 2HH1 ARG 18 2HH1 ARG 18 5.900 3.833 1.913 127 1HH2 ARG 18 1HH2 ARG 18 5.580 6.949 0.302 128 2HH2 ARG 18 2HH2 ARG 18 5.533 6.123 1.824 129 H VAL 19 H VAL 19 6.362 -0.729 -4.598 130 HA VAL 19 HA VAL 19 6.817 -0.992 -7.358 131 HB VAL 19 HB VAL 19 5.140 -2.694 -5.504 132 1HG1 VAL 19 1HG1 VAL 19 6.005 -2.959 -8.308 133 2HG1 VAL 19 2HG1 VAL 19 6.361 -4.379 -7.296 134 3HG1 VAL 19 3HG1 VAL 19 4.691 -3.775 -7.427 135 1HG2 VAL 19 1HG2 VAL 19 7.879 -2.080 -5.301 136 2HG2 VAL 19 2HG2 VAL 19 6.995 -3.384 -4.473 137 3HG2 VAL 19 3HG2 VAL 19 7.803 -3.704 -6.026 138 H ASP 20 H ASP 20 4.295 0.515 -5.565 139 HA ASP 20 HA ASP 20 2.396 1.399 -6.122 140 1HB ASP 20 1HB ASP 20 3.384 2.497 -7.990 141 2HB ASP 20 2HB ASP 20 3.592 1.001 -8.879 142 H CYS 21 H CYS 21 0.479 0.276 -5.751 143 HA CYS 21 HA CYS 21 0.197 -2.354 -6.891 144 1HB CYS 21 1HB CYS 21 -0.474 -1.294 -4.471 145 2HB CYS 21 2HB CYS 21 -2.016 -1.222 -5.300 146 H GLY 22 H GLY 22 -0.775 0.965 -7.453 147 1HA GLY 22 1HA GLY 22 -2.025 0.352 -9.913 148 2HA GLY 22 2HA GLY 22 -1.985 1.905 -9.102 149 H TYR 23 H TYR 23 -3.676 2.501 -7.607 150 HA TYR 23 HA TYR 23 -6.096 0.892 -8.000 151 1HB TYR 23 1HB TYR 23 -4.629 1.841 -5.511 152 2HB TYR 23 2HB TYR 23 -6.380 1.897 -5.454 153 HD1 TYR 23 HD1 TYR 23 -7.589 -0.357 -6.223 154 HD2 TYR 23 HD2 TYR 23 -3.557 -0.101 -4.815 155 HE1 TYR 23 HE1 TYR 23 -7.641 -2.823 -5.605 156 HE2 TYR 23 HE2 TYR 23 -3.622 -2.568 -4.202 157 HH TYR 23 HH TYR 23 -5.678 -4.207 -3.558 158 HA PRO 24 HA PRO 24 -7.845 4.772 -8.789 159 1HB PRO 24 1HB PRO 24 -10.502 4.209 -8.483 160 2HB PRO 24 2HB PRO 24 -9.601 3.824 -9.936 161 1HG PRO 24 1HG PRO 24 -10.520 2.010 -7.790 162 2HG PRO 24 2HG PRO 24 -10.009 1.613 -9.419 163 1HD PRO 24 1HD PRO 24 -8.486 1.272 -7.012 164 2HD PRO 24 2HD PRO 24 -7.936 0.985 -8.651 165 H HIS 25 H HIS 25 -10.006 3.536 -6.293 166 HA HIS 25 HA HIS 25 -9.687 6.079 -4.953 167 1HB HIS 25 1HB HIS 25 -11.602 5.424 -3.647 168 2HB HIS 25 2HB HIS 25 -11.935 5.167 -5.348 169 HD1 HIS 25 HD1 HIS 25 -13.737 3.627 -3.593 170 HD2 HIS 25 HD2 HIS 25 -9.953 2.153 -4.646 171 HE1 HIS 25 HE1 HIS 25 -13.837 1.099 -3.263 172 HE2 HIS 25 HE2 HIS 25 -11.502 0.244 -3.977 173 H VAL 26 H VAL 26 -7.494 5.871 -4.208 174 HA VAL 26 HA VAL 26 -7.021 3.687 -2.332 175 HB VAL 26 HB VAL 26 -4.681 4.527 -2.423 176 1HG1 VAL 26 1HG1 VAL 26 -5.987 3.797 -5.066 177 2HG1 VAL 26 2HG1 VAL 26 -4.239 3.731 -4.739 178 3HG1 VAL 26 3HG1 VAL 26 -5.353 2.675 -3.837 179 1HG2 VAL 26 1HG2 VAL 26 -5.754 6.857 -3.377 180 2HG2 VAL 26 2HG2 VAL 26 -4.041 6.393 -3.515 181 3HG2 VAL 26 3HG2 VAL 26 -5.154 6.103 -4.874 182 H THR 27 H THR 27 -6.670 4.013 -0.130 183 HA THR 27 HA THR 27 -6.490 6.707 0.889 184 HB THR 27 HB THR 27 -8.613 6.813 1.895 185 HG1 THR 27 HG1 THR 27 -9.551 4.884 2.655 186 1HG2 THR 27 1HG2 THR 27 -9.055 4.952 -0.499 187 2HG2 THR 27 2HG2 THR 27 -10.359 5.796 0.372 188 3HG2 THR 27 3HG2 THR 27 -9.135 6.730 -0.522 189 HA PRO 28 HA PRO 28 -4.511 4.712 4.137 190 1HB PRO 28 1HB PRO 28 -5.243 6.069 6.393 191 2HB PRO 28 2HB PRO 28 -4.057 6.674 5.254 192 1HG PRO 28 1HG PRO 28 -6.855 7.540 5.648 193 2HG PRO 28 2HG PRO 28 -5.548 8.384 4.843 194 1HD PRO 28 1HD PRO 28 -7.722 6.994 3.591 195 2HD PRO 28 2HD PRO 28 -6.353 7.738 2.788 196 H LYS 29 H LYS 29 -6.783 3.314 3.289 197 HA LYS 29 HA LYS 29 -6.983 1.482 5.353 198 1HB LYS 29 1HB LYS 29 -8.320 3.571 6.259 199 2HB LYS 29 2HB LYS 29 -9.587 2.967 5.210 200 1HG LYS 29 1HG LYS 29 -8.147 1.128 7.161 201 2HG LYS 29 2HG LYS 29 -9.515 2.097 7.670 202 1HD LYS 29 1HD LYS 29 -10.960 1.047 5.974 203 2HD LYS 29 2HD LYS 29 -9.598 0.177 5.296 204 1HE LYS 29 1HE LYS 29 -10.504 -1.477 6.675 205 2HE LYS 29 2HE LYS 29 -9.329 -0.773 7.767 206 1HZ LYS 29 1HZ LYS 29 -12.066 0.246 7.664 207 2HZ LYS 29 2HZ LYS 29 -11.687 -1.051 8.580 208 3HZ LYS 29 3HZ LYS 29 -10.973 0.389 8.869 209 H GLU 30 H GLU 30 -8.912 3.104 2.745 210 HA GLU 30 HA GLU 30 -10.094 0.726 1.901 211 1HB GLU 30 1HB GLU 30 -11.110 2.841 1.330 212 2HB GLU 30 2HB GLU 30 -9.652 3.413 0.545 213 1HG GLU 30 1HG GLU 30 -10.104 2.292 -1.404 214 2HG GLU 30 2HG GLU 30 -10.648 0.851 -0.568 215 H CYS 31 H CYS 31 -7.156 2.537 0.831 216 HA CYS 31 HA CYS 31 -6.590 0.904 -1.353 217 1HB CYS 31 1HB CYS 31 -5.430 2.857 -1.449 218 2HB CYS 31 2HB CYS 31 -5.117 2.903 0.274 219 H ASN 32 H ASN 32 -5.927 0.699 2.161 220 HA ASN 32 HA ASN 32 -4.223 -1.573 1.773 221 1HB ASN 32 1HB ASN 32 -3.567 -0.147 3.596 222 2HB ASN 32 2HB ASN 32 -5.210 -0.001 4.188 223 2HD2 ASN 32 2HD2 ASN 32 -5.737 -1.160 5.870 224 1HD2 ASN 32 1HD2 ASN 32 -4.985 -2.620 6.420 225 H ASN 33 H ASN 33 -7.517 -1.010 1.671 226 HA ASN 33 HA ASN 33 -8.250 -3.330 3.223 227 1HB ASN 33 1HB ASN 33 -9.673 -1.317 3.436 228 2HB ASN 33 2HB ASN 33 -9.900 -1.247 1.700 229 2HD2 ASN 33 2HD2 ASN 33 -12.103 -1.405 1.809 230 1HD2 ASN 33 1HD2 ASN 33 -12.952 -2.855 2.229 231 H ARG 34 H ARG 34 -8.113 -2.017 -0.126 232 HA ARG 34 HA ARG 34 -9.543 -4.039 -1.348 233 1HB ARG 34 1HB ARG 34 -8.447 -1.687 -2.181 234 2HB ARG 34 2HB ARG 34 -7.240 -2.782 -2.826 235 1HG ARG 34 1HG ARG 34 -10.242 -3.028 -3.341 236 2HG ARG 34 2HG ARG 34 -9.106 -2.282 -4.448 237 1HD ARG 34 1HD ARG 34 -7.796 -4.554 -4.310 238 2HD ARG 34 2HD ARG 34 -9.268 -5.204 -3.617 239 HE ARG 34 HE ARG 34 -10.214 -3.933 -5.861 240 1HH1 ARG 34 1HH1 ARG 34 -7.590 -6.224 -5.361 241 2HH1 ARG 34 2HH1 ARG 34 -7.716 -6.909 -6.947 242 1HH2 ARG 34 1HH2 ARG 34 -10.380 -4.836 -7.954 243 2HH2 ARG 34 2HH2 ARG 34 -9.313 -6.114 -8.432 244 H GLY 35 H GLY 35 -6.221 -3.835 -0.141 245 1HA GLY 35 1HA GLY 35 -5.645 -6.486 -1.326 246 2HA GLY 35 2HA GLY 35 -5.274 -6.068 0.335 247 H CYS 36 H CYS 36 -3.813 -4.080 0.670 248 HA CYS 36 HA CYS 36 -1.415 -4.469 -0.554 249 1HB CYS 36 1HB CYS 36 -3.126 -3.136 -2.355 250 2HB CYS 36 2HB CYS 36 -2.027 -1.914 -1.748 251 H CYS 37 H CYS 37 -0.496 -1.677 -0.592 252 HA CYS 37 HA CYS 37 -1.119 -0.942 2.177 253 1HB CYS 37 1HB CYS 37 1.481 -1.265 0.779 254 2HB CYS 37 2HB CYS 37 1.334 0.117 1.846 255 H PHE 38 H PHE 38 -1.112 1.405 2.594 256 HA PHE 38 HA PHE 38 -1.494 2.941 0.120 257 1HB PHE 38 1HB PHE 38 -3.569 2.638 1.444 258 2HB PHE 38 2HB PHE 38 -2.732 3.038 2.930 259 HD1 PHE 38 HD1 PHE 38 -4.044 4.427 -0.223 260 HD2 PHE 38 HD2 PHE 38 -2.429 5.306 3.602 261 HE1 PHE 38 HE1 PHE 38 -4.717 6.830 -0.491 262 HE2 PHE 38 HE2 PHE 38 -3.102 7.709 3.334 263 HZ PHE 38 HZ PHE 38 -4.238 8.442 1.291 264 H ASP 39 H ASP 39 -1.266 5.445 0.641 265 HA ASP 39 HA ASP 39 0.371 6.231 2.715 266 1HB ASP 39 1HB ASP 39 2.132 4.913 1.601 267 2HB ASP 39 2HB ASP 39 1.802 5.700 0.071 268 H SER 40 H SER 40 0.534 8.564 2.658 269 HA SER 40 HA SER 40 -0.300 9.796 0.162 270 1HB SER 40 1HB SER 40 -1.800 11.332 1.393 271 2HB SER 40 2HB SER 40 -2.305 9.665 1.585 272 HG SER 40 HG SER 40 -0.806 11.247 3.494 273 H ARG 41 H ARG 41 2.253 9.371 1.908 274 HA ARG 41 HA ARG 41 2.912 11.772 3.076 275 1HB ARG 41 1HB ARG 41 4.107 9.341 2.922 276 2HB ARG 41 2HB ARG 41 5.064 10.162 1.706 277 1HG ARG 41 1HG ARG 41 5.093 12.060 3.686 278 2HG ARG 41 2HG ARG 41 4.956 10.611 4.662 279 1HD ARG 41 1HD ARG 41 7.086 9.908 4.154 280 2HD ARG 41 2HD ARG 41 6.950 10.377 2.471 281 HE ARG 41 HE ARG 41 7.042 12.780 3.963 282 1HH1 ARG 41 1HH1 ARG 41 9.135 10.023 3.330 283 2HH1 ARG 41 2HH1 ARG 41 10.599 10.925 3.533 284 1HH2 ARG 41 1HH2 ARG 41 8.974 13.971 4.232 285 2HH2 ARG 41 2HH2 ARG 41 10.507 13.186 4.050 286 H ILE 42 H ILE 42 3.302 10.544 -0.294 287 HA ILE 42 HA ILE 42 3.576 13.272 -1.204 288 HB ILE 42 HB ILE 42 5.568 12.112 -2.667 289 1HG1 ILE 42 1HG1 ILE 42 7.138 11.113 -1.024 290 2HG1 ILE 42 2HG1 ILE 42 5.869 11.123 0.185 291 1HG2 ILE 42 1HG2 ILE 42 5.316 14.115 -0.545 292 2HG2 ILE 42 2HG2 ILE 42 6.942 13.401 -0.662 293 3HG2 ILE 42 3HG2 ILE 42 6.205 14.172 -2.086 294 1HD1 ILE 42 1HD1 ILE 42 5.057 9.887 -2.391 295 2HD1 ILE 42 2HD1 ILE 42 6.367 9.031 -1.542 296 3HD1 ILE 42 3HD1 ILE 42 4.811 9.311 -0.725 297 HA PRO 43 HA PRO 43 1.093 11.405 -4.227 298 1HB PRO 43 1HB PRO 43 0.736 13.570 -5.857 299 2HB PRO 43 2HB PRO 43 -0.214 13.292 -4.411 300 1HG PRO 43 1HG PRO 43 1.977 15.228 -4.845 301 2HG PRO 43 2HG PRO 43 0.754 15.218 -3.591 302 1HD PRO 43 1HD PRO 43 3.500 14.437 -3.316 303 2HD PRO 43 2HD PRO 43 2.250 14.318 -2.095 304 H GLY 44 H GLY 44 3.934 13.213 -5.161 305 1HA GLY 44 1HA GLY 44 5.561 12.640 -6.620 306 2HA GLY 44 2HA GLY 44 4.238 12.557 -7.766 307 H VAL 45 H VAL 45 4.375 10.363 -4.964 308 HA VAL 45 HA VAL 45 5.299 8.221 -6.741 309 HB VAL 45 HB VAL 45 6.298 7.256 -4.965 310 1HG1 VAL 45 1HG1 VAL 45 6.061 10.145 -4.067 311 2HG1 VAL 45 2HG1 VAL 45 7.190 8.964 -3.359 312 3HG1 VAL 45 3HG1 VAL 45 7.340 9.422 -5.073 313 1HG2 VAL 45 1HG2 VAL 45 4.072 8.390 -3.253 314 2HG2 VAL 45 2HG2 VAL 45 4.398 6.688 -3.661 315 3HG2 VAL 45 3HG2 VAL 45 5.494 7.567 -2.568 316 HA PRO 46 HA PRO 46 1.479 6.215 -6.446 317 1HB PRO 46 1HB PRO 46 2.067 3.574 -6.063 318 2HB PRO 46 2HB PRO 46 2.195 4.368 -7.620 319 1HG PRO 46 1HG PRO 46 4.353 3.559 -5.769 320 2HG PRO 46 2HG PRO 46 4.459 3.953 -7.474 321 1HD PRO 46 1HD PRO 46 5.233 5.625 -5.275 322 2HD PRO 46 2HD PRO 46 5.229 6.060 -6.973 323 H TRP 47 H TRP 47 0.571 7.317 -4.683 324 HA TRP 47 HA TRP 47 0.960 7.005 -2.106 325 1HB TRP 47 1HB TRP 47 -1.537 7.263 -3.706 326 2HB TRP 47 2HB TRP 47 -1.706 6.907 -1.998 327 HD1 TRP 47 HD1 TRP 47 1.147 9.218 -3.172 328 HE1 TRP 47 HE1 TRP 47 0.795 11.687 -2.310 329 HE3 TRP 47 HE3 TRP 47 -3.526 8.461 -1.316 330 HZ2 TRP 47 HZ2 TRP 47 -1.351 13.016 -0.978 331 HZ3 TRP 47 HZ3 TRP 47 -4.680 10.396 -0.251 332 HH2 TRP 47 HH2 TRP 47 -3.667 12.613 -0.065 333 H CYS 48 H CYS 48 -1.020 4.684 -4.091 334 HA CYS 48 HA CYS 48 -0.868 2.795 -1.894 335 1HB CYS 48 1HB CYS 48 -2.998 3.369 -3.236 336 2HB CYS 48 2HB CYS 48 -2.314 2.364 -4.498 337 H PHE 49 H PHE 49 0.878 1.424 -1.864 338 HA PHE 49 HA PHE 49 1.827 0.433 -4.449 339 1HB PHE 49 1HB PHE 49 4.166 0.617 -3.277 340 2HB PHE 49 2HB PHE 49 3.449 2.119 -3.826 341 HD1 PHE 49 HD1 PHE 49 3.582 -0.042 -0.785 342 HD2 PHE 49 HD2 PHE 49 3.332 3.895 -2.351 343 HE1 PHE 49 HE1 PHE 49 3.762 0.894 1.537 344 HE2 PHE 49 HE2 PHE 49 3.511 4.830 -0.029 345 HZ PHE 49 HZ PHE 49 3.724 3.318 1.887 346 H LYS 50 H LYS 50 3.264 -1.564 -4.151 347 HA LYS 50 HA LYS 50 1.871 -3.421 -2.568 348 1HB LYS 50 1HB LYS 50 4.586 -3.733 -3.879 349 2HB LYS 50 2HB LYS 50 3.504 -5.018 -3.381 350 1HG LYS 50 1HG LYS 50 1.751 -3.829 -4.958 351 2HG LYS 50 2HG LYS 50 3.150 -3.030 -5.648 352 1HD LYS 50 1HD LYS 50 2.926 -4.953 -7.004 353 2HD LYS 50 2HD LYS 50 4.177 -5.423 -5.871 354 1HE LYS 50 1HE LYS 50 2.724 -6.827 -4.633 355 2HE LYS 50 2HE LYS 50 1.283 -5.998 -5.185 356 1HZ LYS 50 1HZ LYS 50 2.479 -6.944 -7.443 357 2HZ LYS 50 2HZ LYS 50 2.627 -8.165 -6.368 358 3HZ LYS 50 3HZ LYS 50 1.152 -7.557 -6.716 359 HA PRO 51 HA PRO 51 4.031 -3.288 1.165 360 1HB PRO 51 1HB PRO 51 4.095 -5.897 1.978 361 2HB PRO 51 2HB PRO 51 2.676 -4.879 2.132 362 1HG PRO 51 1HG PRO 51 3.199 -7.049 0.193 363 2HG PRO 51 2HG PRO 51 1.669 -6.322 0.641 364 1HD PRO 51 1HD PRO 51 3.162 -5.838 -1.760 365 2HD PRO 51 2HD PRO 51 1.692 -5.026 -1.259 366 H LEU 52 H LEU 52 6.053 -2.763 1.691 367 HA LEU 52 HA LEU 52 8.171 -3.243 0.158 368 1HB LEU 52 1HB LEU 52 8.502 -1.772 1.887 369 2HB LEU 52 2HB LEU 52 7.852 -2.859 3.099 370 HG LEU 52 HG LEU 52 10.491 -3.366 1.712 371 1HD1 LEU 52 1HD1 LEU 52 9.974 -1.823 4.267 372 2HD1 LEU 52 2HD1 LEU 52 11.567 -2.425 3.749 373 3HD1 LEU 52 3HD1 LEU 52 10.709 -1.215 2.764 374 1HD2 LEU 52 1HD2 LEU 52 8.891 -4.916 3.453 375 2HD2 LEU 52 2HD2 LEU 52 10.538 -5.254 2.871 376 3HD2 LEU 52 3HD2 LEU 52 10.298 -4.367 4.395 377 H GLN 53 H GLN 53 9.664 -4.851 -0.292 378 HA GLN 53 HA GLN 53 8.784 -7.467 0.141 379 1HB GLN 53 1HB GLN 53 11.066 -6.117 -1.206 380 2HB GLN 53 2HB GLN 53 11.412 -7.745 -0.657 381 1HG GLN 53 1HG GLN 53 10.379 -8.478 -2.545 382 2HG GLN 53 2HG GLN 53 8.867 -8.008 -1.793 383 2HE2 GLN 53 2HE2 GLN 53 8.681 -5.424 -1.825 384 1HE2 GLN 53 1HE2 GLN 53 8.803 -4.728 -3.407 385 H GLU 54 H GLU 54 8.577 -7.355 2.563 386 HA GLU 54 HA GLU 54 10.561 -6.894 4.301 387 1HB GLU 54 1HB GLU 54 9.328 -8.197 5.886 388 2HB GLU 54 2HB GLU 54 8.140 -7.548 4.773 389 1HG GLU 54 1HG GLU 54 7.441 -9.746 4.717 390 2HG GLU 54 2HG GLU 54 8.663 -9.861 3.467 391 H ALA 55 H ALA 55 12.628 -7.638 4.463 392 HA ALA 55 HA ALA 55 13.149 -10.434 4.463 393 1HB ALA 55 1HB ALA 55 13.527 -10.701 2.260 394 2HB ALA 55 2HB ALA 55 14.939 -9.635 2.455 395 3HB ALA 55 3HB ALA 55 13.372 -8.954 1.956 396 H GLU 56 H GLU 56 15.790 -10.621 4.397 397 HA GLU 56 HA GLU 56 16.575 -9.148 6.632 398 1HB GLU 56 1HB GLU 56 18.799 -10.237 6.249 399 2HB GLU 56 2HB GLU 56 17.467 -11.375 6.222 400 1HG GLU 56 1HG GLU 56 17.623 -10.585 3.550 401 2HG GLU 56 2HG GLU 56 19.306 -10.579 4.039 402 H CYS 57 H CYS 57 19.097 -8.188 6.382 403 HA CYS 57 HA CYS 57 20.393 -6.595 5.577 404 1HB CYS 57 1HB CYS 57 18.706 -6.291 3.103 405 2HB CYS 57 2HB CYS 57 20.401 -5.910 3.327 406 H THR 58 H THR 58 20.206 -4.703 6.722 407 HA THR 58 HA THR 58 17.750 -3.554 7.379 408 HB THR 58 HB THR 58 19.903 -3.340 8.657 409 HG1 THR 58 HG1 THR 58 18.830 -0.850 7.531 410 1HG2 THR 58 1HG2 THR 58 20.691 -1.905 6.124 411 2HG2 THR 58 2HG2 THR 58 21.217 -1.187 7.666 412 3HG2 THR 58 3HG2 THR 58 21.702 -2.847 7.246 413 H PHE 59 H PHE 59 17.018 -1.304 6.890 414 HA PHE 59 HA PHE 59 16.226 -1.006 4.365 415 1HB PHE 59 1HB PHE 59 16.984 0.866 6.631 416 2HB PHE 59 2HB PHE 59 16.591 1.613 5.095 417 HD1 PHE 59 HD1 PHE 59 15.258 -0.565 7.768 418 HD2 PHE 59 HD2 PHE 59 14.344 1.812 4.374 419 HE1 PHE 59 HE1 PHE 59 12.814 -0.722 8.317 420 HE2 PHE 59 HE2 PHE 59 11.900 1.656 4.923 421 HZ PHE 59 HZ PHE 59 11.164 0.391 6.887 No H/Q in entry = 421 Start of MODEL 12 1 H GLU 1 H GLU 1 10.752 -16.395 14.603 2 HA GLU 1 HA GLU 1 8.769 -17.670 15.729 3 1HB GLU 1 1HB GLU 1 9.406 -15.310 17.433 4 2HB GLU 1 2HB GLU 1 7.707 -15.504 17.049 5 1HG GLU 1 1HG GLU 1 8.683 -18.116 17.697 6 2HG GLU 1 2HG GLU 1 9.341 -17.034 18.908 7 H GLU 2 H GLU 2 6.625 -17.029 14.887 8 HA GLU 2 HA GLU 2 6.635 -16.091 12.410 9 1HB GLU 2 1HB GLU 2 4.226 -15.688 12.645 10 2HB GLU 2 2HB GLU 2 4.680 -17.123 13.542 11 1HG GLU 2 1HG GLU 2 3.675 -16.188 15.351 12 2HG GLU 2 2HG GLU 2 5.020 -15.067 15.422 13 H TYR 3 H TYR 3 5.756 -14.016 11.421 14 HA TYR 3 HA TYR 3 6.331 -11.677 13.088 15 1HB TYR 3 1HB TYR 3 7.905 -10.899 11.451 16 2HB TYR 3 2HB TYR 3 8.234 -12.620 11.462 17 HD1 TYR 3 HD1 TYR 3 6.658 -9.867 9.576 18 HD2 TYR 3 HD2 TYR 3 7.681 -14.021 9.560 19 HE1 TYR 3 HE1 TYR 3 6.189 -9.980 7.080 20 HE2 TYR 3 HE2 TYR 3 7.208 -14.120 7.064 21 HH TYR 3 HH TYR 3 7.164 -12.605 5.181 22 H VAL 4 H VAL 4 5.370 -9.671 12.255 23 HA VAL 4 HA VAL 4 3.440 -10.020 10.113 24 HB VAL 4 HB VAL 4 1.728 -8.886 11.667 25 1HG1 VAL 4 1HG1 VAL 4 2.074 -11.455 10.846 26 2HG1 VAL 4 2HG1 VAL 4 2.070 -11.673 12.612 27 3HG1 VAL 4 3HG1 VAL 4 0.687 -10.891 11.809 28 1HG2 VAL 4 1HG2 VAL 4 3.841 -9.038 13.485 29 2HG2 VAL 4 2HG2 VAL 4 2.141 -8.660 13.853 30 3HG2 VAL 4 3HG2 VAL 4 2.729 -10.334 13.989 31 H GLY 5 H GLY 5 2.114 -7.588 10.334 32 1HA GLY 5 1HA GLY 5 3.837 -5.788 9.187 33 2HA GLY 5 2HA GLY 5 3.914 -5.438 10.902 34 H LEU 6 H LEU 6 1.922 -5.363 7.987 35 HA LEU 6 HA LEU 6 0.273 -3.885 7.555 36 1HB LEU 6 1HB LEU 6 -1.847 -4.742 8.291 37 2HB LEU 6 2HB LEU 6 -0.769 -6.056 7.864 38 HG LEU 6 HG LEU 6 -0.575 -5.481 10.698 39 1HD1 LEU 6 1HD1 LEU 6 -2.961 -4.678 10.137 40 2HD1 LEU 6 2HD1 LEU 6 -3.327 -6.404 9.898 41 3HD1 LEU 6 3HD1 LEU 6 -2.741 -5.829 11.477 42 1HD2 LEU 6 1HD2 LEU 6 -0.964 -7.792 8.884 43 2HD2 LEU 6 2HD2 LEU 6 0.137 -7.579 10.267 44 3HD2 LEU 6 3HD2 LEU 6 -1.575 -7.980 10.545 45 H SER 7 H SER 7 1.124 -1.880 8.289 46 HA SER 7 HA SER 7 -0.395 -0.403 9.863 47 1HB SER 7 1HB SER 7 1.191 -0.311 12.012 48 2HB SER 7 2HB SER 7 -0.158 -1.426 11.923 49 HG SER 7 HG SER 7 2.372 -2.280 10.899 50 H ALA 8 H ALA 8 2.844 -1.326 8.803 51 HA ALA 8 HA ALA 8 3.437 1.079 7.645 52 1HB ALA 8 1HB ALA 8 4.238 2.464 9.227 53 2HB ALA 8 2HB ALA 8 5.271 1.183 9.906 54 3HB ALA 8 3HB ALA 8 3.582 1.343 10.444 55 H ASN 9 H ASN 9 4.526 -1.821 9.414 56 HA ASN 9 HA ASN 9 7.082 -1.973 8.494 57 1HB ASN 9 1HB ASN 9 6.088 -3.531 10.171 58 2HB ASN 9 2HB ASN 9 5.063 -4.236 8.936 59 2HD2 ASN 9 2HD2 ASN 9 5.760 -6.225 8.661 60 1HD2 ASN 9 1HD2 ASN 9 7.384 -6.719 8.318 61 H GLN 10 H GLN 10 4.002 -3.288 7.065 62 HA GLN 10 HA GLN 10 5.278 -4.337 4.802 63 1HB GLN 10 1HB GLN 10 2.836 -4.367 3.916 64 2HB GLN 10 2HB GLN 10 3.204 -5.327 5.335 65 1HG GLN 10 1HG GLN 10 2.119 -3.828 6.805 66 2HG GLN 10 2HG GLN 10 2.284 -2.469 5.711 67 2HE2 GLN 10 2HE2 GLN 10 1.246 -5.715 4.823 68 1HE2 GLN 10 1HE2 GLN 10 -0.388 -5.332 4.392 69 H CYS 11 H CYS 11 3.760 -1.198 5.609 70 HA CYS 11 HA CYS 11 4.374 -0.299 2.893 71 1HB CYS 11 1HB CYS 11 2.779 1.467 4.628 72 2HB CYS 11 2HB CYS 11 2.590 1.069 2.932 73 H ALA 12 H ALA 12 6.554 -0.687 4.599 74 HA ALA 12 HA ALA 12 7.094 1.945 5.759 75 1HB ALA 12 1HB ALA 12 9.205 0.066 6.209 76 2HB ALA 12 2HB ALA 12 8.045 0.726 7.386 77 3HB ALA 12 3HB ALA 12 7.662 -0.771 6.502 78 H VAL 13 H VAL 13 6.920 1.764 2.908 79 HA VAL 13 HA VAL 13 9.694 1.628 2.032 80 HB VAL 13 HB VAL 13 7.649 2.383 0.084 81 1HG1 VAL 13 1HG1 VAL 13 10.061 0.752 0.298 82 2HG1 VAL 13 2HG1 VAL 13 8.777 -0.063 -0.627 83 3HG1 VAL 13 3HG1 VAL 13 9.342 1.551 -1.121 84 1HG2 VAL 13 1HG2 VAL 13 7.259 -0.066 1.795 85 2HG2 VAL 13 2HG2 VAL 13 6.058 1.108 1.207 86 3HG2 VAL 13 3HG2 VAL 13 6.773 -0.072 0.083 87 HA PRO 14 HA PRO 14 10.120 5.927 2.050 88 1HB PRO 14 1HB PRO 14 12.067 6.293 0.166 89 2HB PRO 14 2HB PRO 14 12.405 5.778 1.807 90 1HG PRO 14 1HG PRO 14 12.416 4.177 -0.678 91 2HG PRO 14 2HG PRO 14 13.147 3.805 0.870 92 1HD PRO 14 1HD PRO 14 10.723 2.699 -0.193 93 2HD PRO 14 2HD PRO 14 11.393 2.416 1.401 94 H ALA 15 H ALA 15 10.285 4.887 -1.331 95 HA ALA 15 HA ALA 15 7.920 5.755 -2.207 96 1HB ALA 15 1HB ALA 15 9.533 8.045 -1.350 97 2HB ALA 15 2HB ALA 15 7.812 7.970 -1.797 98 3HB ALA 15 3HB ALA 15 9.052 8.165 -3.059 99 H LYS 16 H LYS 16 11.401 5.488 -2.565 100 HA LYS 16 HA LYS 16 11.177 5.435 -5.466 101 1HB LYS 16 1HB LYS 16 13.600 5.410 -5.457 102 2HB LYS 16 2HB LYS 16 13.010 6.710 -4.441 103 1HG LYS 16 1HG LYS 16 14.520 5.832 -2.939 104 2HG LYS 16 2HG LYS 16 13.178 4.775 -2.547 105 1HD LYS 16 1HD LYS 16 15.121 3.369 -2.888 106 2HD LYS 16 2HD LYS 16 14.051 3.113 -4.251 107 1HE LYS 16 1HE LYS 16 15.596 5.239 -5.152 108 2HE LYS 16 2HE LYS 16 16.753 4.352 -4.179 109 1HZ LYS 16 1HZ LYS 16 16.029 2.347 -5.414 110 2HZ LYS 16 2HZ LYS 16 15.167 3.307 -6.415 111 3HZ LYS 16 3HZ LYS 16 16.791 3.460 -6.334 112 H ASP 17 H ASP 17 10.375 3.375 -3.060 113 HA ASP 17 HA ASP 17 11.417 1.093 -4.549 114 1HB ASP 17 1HB ASP 17 11.363 1.709 -1.684 115 2HB ASP 17 2HB ASP 17 10.512 0.210 -2.003 116 H ARG 18 H ARG 18 8.815 2.971 -4.441 117 HA ARG 18 HA ARG 18 6.795 1.159 -3.653 118 1HB ARG 18 1HB ARG 18 6.406 3.615 -5.419 119 2HB ARG 18 2HB ARG 18 5.251 2.902 -4.311 120 1HG ARG 18 1HG ARG 18 7.875 4.233 -3.487 121 2HG ARG 18 2HG ARG 18 6.294 4.983 -3.388 122 1HD ARG 18 1HD ARG 18 5.585 2.993 -1.897 123 2HD ARG 18 2HD ARG 18 7.279 2.547 -1.837 124 HE ARG 18 HE ARG 18 7.592 4.245 -0.277 125 1HH1 ARG 18 1HH1 ARG 18 4.820 5.078 -2.278 126 2HH1 ARG 18 2HH1 ARG 18 4.463 6.530 -1.403 127 1HH2 ARG 18 1HH2 ARG 18 7.121 6.160 0.878 128 2HH2 ARG 18 2HH2 ARG 18 5.781 7.149 0.404 129 H VAL 19 H VAL 19 5.997 -0.516 -4.886 130 HA VAL 19 HA VAL 19 6.771 -0.645 -7.668 131 HB VAL 19 HB VAL 19 5.087 -2.648 -6.193 132 1HG1 VAL 19 1HG1 VAL 19 7.174 -2.843 -8.390 133 2HG1 VAL 19 2HG1 VAL 19 6.376 -4.236 -7.622 134 3HG1 VAL 19 3HG1 VAL 19 5.415 -3.063 -8.553 135 1HG2 VAL 19 1HG2 VAL 19 7.944 -1.938 -5.685 136 2HG2 VAL 19 2HG2 VAL 19 6.703 -2.570 -4.576 137 3HG2 VAL 19 3HG2 VAL 19 7.511 -3.664 -5.725 138 H ASP 20 H ASP 20 4.245 0.711 -5.849 139 HA ASP 20 HA ASP 20 2.306 1.533 -6.357 140 1HB ASP 20 1HB ASP 20 3.201 2.629 -8.274 141 2HB ASP 20 2HB ASP 20 3.419 1.126 -9.147 142 H CYS 21 H CYS 21 0.454 0.342 -5.883 143 HA CYS 21 HA CYS 21 0.209 -2.306 -6.979 144 1HB CYS 21 1HB CYS 21 -0.384 -1.279 -4.552 145 2HB CYS 21 2HB CYS 21 -1.959 -1.162 -5.311 146 H GLY 22 H GLY 22 -0.901 0.972 -7.550 147 1HA GLY 22 1HA GLY 22 -2.224 0.257 -9.955 148 2HA GLY 22 2HA GLY 22 -2.167 1.837 -9.200 149 H TYR 23 H TYR 23 -3.825 2.501 -7.726 150 HA TYR 23 HA TYR 23 -6.240 0.869 -7.960 151 1HB TYR 23 1HB TYR 23 -4.670 1.810 -5.534 152 2HB TYR 23 2HB TYR 23 -6.416 1.878 -5.405 153 HD1 TYR 23 HD1 TYR 23 -7.667 -0.371 -6.134 154 HD2 TYR 23 HD2 TYR 23 -3.586 -0.136 -4.870 155 HE1 TYR 23 HE1 TYR 23 -7.710 -2.836 -5.514 156 HE2 TYR 23 HE2 TYR 23 -3.643 -2.602 -4.254 157 HH TYR 23 HH TYR 23 -5.729 -4.687 -5.359 158 HA PRO 24 HA PRO 24 -8.010 4.753 -8.677 159 1HB PRO 24 1HB PRO 24 -10.654 4.197 -8.265 160 2HB PRO 24 2HB PRO 24 -9.814 3.810 -9.754 161 1HG PRO 24 1HG PRO 24 -10.649 1.998 -7.572 162 2HG PRO 24 2HG PRO 24 -10.206 1.600 -9.220 163 1HD PRO 24 1HD PRO 24 -8.588 1.255 -6.877 164 2HD PRO 24 2HD PRO 24 -8.104 0.966 -8.537 165 H HIS 25 H HIS 25 -10.136 3.570 -6.136 166 HA HIS 25 HA HIS 25 -9.726 6.094 -4.795 167 1HB HIS 25 1HB HIS 25 -11.609 5.477 -3.441 168 2HB HIS 25 2HB HIS 25 -11.995 5.183 -5.125 169 HD1 HIS 25 HD1 HIS 25 -13.725 3.702 -3.216 170 HD2 HIS 25 HD2 HIS 25 -10.033 2.166 -4.482 171 HE1 HIS 25 HE1 HIS 25 -13.835 1.180 -2.844 172 HE2 HIS 25 HE2 HIS 25 -11.559 0.286 -3.691 173 H VAL 26 H VAL 26 -7.500 5.841 -4.144 174 HA VAL 26 HA VAL 26 -6.986 3.657 -2.285 175 HB VAL 26 HB VAL 26 -4.647 4.479 -2.444 176 1HG1 VAL 26 1HG1 VAL 26 -6.040 3.810 -5.059 177 2HG1 VAL 26 2HG1 VAL 26 -4.283 3.724 -4.786 178 3HG1 VAL 26 3HG1 VAL 26 -5.379 2.660 -3.872 179 1HG2 VAL 26 1HG2 VAL 26 -5.485 6.861 -3.109 180 2HG2 VAL 26 2HG2 VAL 26 -3.976 6.234 -3.813 181 3HG2 VAL 26 3HG2 VAL 26 -5.480 6.208 -4.764 182 H THR 27 H THR 27 -6.662 3.949 -0.091 183 HA THR 27 HA THR 27 -6.396 6.633 0.952 184 HB THR 27 HB THR 27 -8.495 6.748 2.019 185 HG1 THR 27 HG1 THR 27 -9.590 4.750 2.545 186 1HG2 THR 27 1HG2 THR 27 -9.012 4.982 -0.432 187 2HG2 THR 27 2HG2 THR 27 -10.284 5.824 0.487 188 3HG2 THR 27 3HG2 THR 27 -9.052 6.762 -0.392 189 HA PRO 28 HA PRO 28 -4.386 4.571 4.138 190 1HB PRO 28 1HB PRO 28 -5.039 5.931 6.417 191 2HB PRO 28 2HB PRO 28 -3.864 6.515 5.256 192 1HG PRO 28 1HG PRO 28 -6.633 7.441 5.717 193 2HG PRO 28 2HG PRO 28 -5.325 8.261 4.887 194 1HD PRO 28 1HD PRO 28 -7.556 6.926 3.675 195 2HD PRO 28 2HD PRO 28 -6.189 7.645 2.848 196 H LYS 29 H LYS 29 -6.725 3.244 3.334 197 HA LYS 29 HA LYS 29 -6.916 1.401 5.396 198 1HB LYS 29 1HB LYS 29 -8.181 3.499 6.350 199 2HB LYS 29 2HB LYS 29 -9.478 2.968 5.299 200 1HG LYS 29 1HG LYS 29 -8.114 0.967 7.125 201 2HG LYS 29 2HG LYS 29 -9.331 2.046 7.778 202 1HD LYS 29 1HD LYS 29 -11.016 1.220 6.216 203 2HD LYS 29 2HD LYS 29 -9.817 0.314 5.314 204 1HE LYS 29 1HE LYS 29 -9.511 -0.606 7.966 205 2HE LYS 29 2HE LYS 29 -11.245 -0.430 7.777 206 1HZ LYS 29 1HZ LYS 29 -9.714 -1.731 5.669 207 2HZ LYS 29 2HZ LYS 29 -10.092 -2.571 7.018 208 3HZ LYS 29 3HZ LYS 29 -11.278 -1.944 6.087 209 H GLU 30 H GLU 30 -8.724 3.078 2.752 210 HA GLU 30 HA GLU 30 -10.003 0.711 1.942 211 1HB GLU 30 1HB GLU 30 -10.980 2.887 1.439 212 2HB GLU 30 2HB GLU 30 -9.554 3.384 0.551 213 1HG GLU 30 1HG GLU 30 -10.170 2.240 -1.339 214 2HG GLU 30 2HG GLU 30 -10.709 0.838 -0.436 215 H CYS 31 H CYS 31 -7.018 2.461 0.950 216 HA CYS 31 HA CYS 31 -6.522 0.822 -1.286 217 1HB CYS 31 1HB CYS 31 -5.423 2.816 -1.447 218 2HB CYS 31 2HB CYS 31 -5.023 2.877 0.258 219 H ASN 32 H ASN 32 -5.846 0.684 2.215 220 HA ASN 32 HA ASN 32 -4.058 -1.532 1.855 221 1HB ASN 32 1HB ASN 32 -3.277 -0.804 3.873 222 2HB ASN 32 2HB ASN 32 -4.502 0.449 3.872 223 2HD2 ASN 32 2HD2 ASN 32 -6.748 -0.317 4.478 224 1HD2 ASN 32 1HD2 ASN 32 -6.887 -1.374 5.843 225 H ASN 33 H ASN 33 -7.371 -1.066 1.772 226 HA ASN 33 HA ASN 33 -8.003 -3.414 3.336 227 1HB ASN 33 1HB ASN 33 -9.527 -1.570 3.709 228 2HB ASN 33 2HB ASN 33 -9.671 -1.239 1.994 229 2HD2 ASN 33 2HD2 ASN 33 -11.977 -1.339 2.776 230 1HD2 ASN 33 1HD2 ASN 33 -12.803 -2.856 2.652 231 H ARG 34 H ARG 34 -8.131 -2.012 0.008 232 HA ARG 34 HA ARG 34 -9.522 -4.022 -1.212 233 1HB ARG 34 1HB ARG 34 -8.427 -1.669 -2.035 234 2HB ARG 34 2HB ARG 34 -7.237 -2.761 -2.716 235 1HG ARG 34 1HG ARG 34 -10.250 -2.977 -3.184 236 2HG ARG 34 2HG ARG 34 -9.124 -2.232 -4.301 237 1HD ARG 34 1HD ARG 34 -7.836 -4.514 -4.220 238 2HD ARG 34 2HD ARG 34 -9.292 -5.160 -3.491 239 HE ARG 34 HE ARG 34 -10.098 -3.721 -5.801 240 1HH1 ARG 34 1HH1 ARG 34 -8.198 -6.575 -5.010 241 2HH1 ARG 34 2HH1 ARG 34 -8.539 -7.374 -6.508 242 1HH2 ARG 34 1HH2 ARG 34 -10.549 -4.774 -7.778 243 2HH2 ARG 34 2HH2 ARG 34 -9.885 -6.343 -8.093 244 H GLY 35 H GLY 35 -6.154 -3.850 -0.112 245 1HA GLY 35 1HA GLY 35 -5.642 -6.499 -1.329 246 2HA GLY 35 2HA GLY 35 -5.217 -6.099 0.323 247 H CYS 36 H CYS 36 -3.711 -4.157 0.644 248 HA CYS 36 HA CYS 36 -1.360 -4.545 -0.647 249 1HB CYS 36 1HB CYS 36 -3.099 -3.217 -2.416 250 2HB CYS 36 2HB CYS 36 -1.999 -1.986 -1.829 251 H CYS 37 H CYS 37 -0.441 -1.744 -0.721 252 HA CYS 37 HA CYS 37 -0.969 -1.017 2.069 253 1HB CYS 37 1HB CYS 37 1.578 -1.327 0.577 254 2HB CYS 37 2HB CYS 37 1.466 0.058 1.644 255 H PHE 38 H PHE 38 -0.942 1.334 2.493 256 HA PHE 38 HA PHE 38 -1.406 2.878 0.038 257 1HB PHE 38 1HB PHE 38 -3.458 2.540 1.388 258 2HB PHE 38 2HB PHE 38 -2.605 2.937 2.866 259 HD1 PHE 38 HD1 PHE 38 -3.933 4.349 -0.276 260 HD2 PHE 38 HD2 PHE 38 -2.362 5.191 3.575 261 HE1 PHE 38 HE1 PHE 38 -4.637 6.747 -0.513 262 HE2 PHE 38 HE2 PHE 38 -3.066 7.589 3.338 263 HZ PHE 38 HZ PHE 38 -4.195 8.338 1.297 264 H ASP 39 H ASP 39 -1.210 5.384 0.593 265 HA ASP 39 HA ASP 39 0.453 6.167 2.645 266 1HB ASP 39 1HB ASP 39 2.204 4.873 1.468 267 2HB ASP 39 2HB ASP 39 1.851 5.709 -0.031 268 H SER 40 H SER 40 0.663 8.513 2.579 269 HA SER 40 HA SER 40 -0.230 9.763 0.120 270 1HB SER 40 1HB SER 40 -1.778 11.239 1.344 271 2HB SER 40 2HB SER 40 -2.234 9.560 1.555 272 HG SER 40 HG SER 40 -1.399 9.559 3.658 273 H ARG 41 H ARG 41 2.293 9.351 1.965 274 HA ARG 41 HA ARG 41 2.893 11.778 3.113 275 1HB ARG 41 1HB ARG 41 4.109 9.343 3.028 276 2HB ARG 41 2HB ARG 41 5.117 10.176 1.861 277 1HG ARG 41 1HG ARG 41 6.012 11.622 3.444 278 2HG ARG 41 2HG ARG 41 4.544 11.665 4.401 279 1HD ARG 41 1HD ARG 41 5.004 9.415 5.303 280 2HD ARG 41 2HD ARG 41 6.387 9.231 4.243 281 HE ARG 41 HE ARG 41 6.576 11.616 5.921 282 1HH1 ARG 41 1HH1 ARG 41 7.154 8.147 5.807 283 2HH1 ARG 41 2HH1 ARG 41 8.366 8.180 7.044 284 1HH2 ARG 41 1HH2 ARG 41 8.175 11.660 7.553 285 2HH2 ARG 41 2HH2 ARG 41 8.951 10.191 8.043 286 H ILE 42 H ILE 42 3.181 10.564 -0.239 287 HA ILE 42 HA ILE 42 3.567 13.253 -1.169 288 HB ILE 42 HB ILE 42 5.579 12.096 -2.586 289 1HG1 ILE 42 1HG1 ILE 42 7.113 11.054 -0.943 290 2HG1 ILE 42 2HG1 ILE 42 5.836 11.073 0.258 291 1HG2 ILE 42 1HG2 ILE 42 5.353 14.020 -0.355 292 2HG2 ILE 42 2HG2 ILE 42 6.980 13.354 -0.635 293 3HG2 ILE 42 3HG2 ILE 42 6.120 14.186 -1.953 294 1HD1 ILE 42 1HD1 ILE 42 5.267 9.807 -2.425 295 2HD1 ILE 42 2HD1 ILE 42 6.243 8.913 -1.234 296 3HD1 ILE 42 3HD1 ILE 42 4.585 9.419 -0.827 297 HA PRO 43 HA PRO 43 1.129 11.354 -4.210 298 1HB PRO 43 1HB PRO 43 0.795 13.503 -5.865 299 2HB PRO 43 2HB PRO 43 -0.177 13.238 -4.432 300 1HG PRO 43 1HG PRO 43 2.019 15.172 -4.849 301 2HG PRO 43 2HG PRO 43 0.777 15.172 -3.614 302 1HD PRO 43 1HD PRO 43 3.519 14.396 -3.289 303 2HD PRO 43 2HD PRO 43 2.249 14.287 -2.086 304 H GLY 44 H GLY 44 3.996 13.137 -5.098 305 1HA GLY 44 1HA GLY 44 5.667 12.478 -6.484 306 2HA GLY 44 2HA GLY 44 4.387 12.546 -7.678 307 H VAL 45 H VAL 45 4.792 10.236 -4.918 308 HA VAL 45 HA VAL 45 5.412 8.126 -6.826 309 HB VAL 45 HB VAL 45 6.303 6.967 -5.067 310 1HG1 VAL 45 1HG1 VAL 45 6.858 9.760 -5.121 311 2HG1 VAL 45 2HG1 VAL 45 6.883 9.239 -3.419 312 3HG1 VAL 45 3HG1 VAL 45 7.924 8.428 -4.614 313 1HG2 VAL 45 1HG2 VAL 45 4.254 8.373 -3.365 314 2HG2 VAL 45 2HG2 VAL 45 4.548 6.631 -3.577 315 3HG2 VAL 45 3HG2 VAL 45 5.679 7.613 -2.616 316 HA PRO 46 HA PRO 46 1.526 6.249 -6.522 317 1HB PRO 46 1HB PRO 46 2.009 3.579 -6.195 318 2HB PRO 46 2HB PRO 46 2.157 4.398 -7.738 319 1HG PRO 46 1HG PRO 46 4.296 3.466 -5.923 320 2HG PRO 46 2HG PRO 46 4.403 3.888 -7.620 321 1HD PRO 46 1HD PRO 46 5.263 5.484 -5.397 322 2HD PRO 46 2HD PRO 46 5.263 5.952 -7.086 323 H TRP 47 H TRP 47 0.587 7.293 -4.771 324 HA TRP 47 HA TRP 47 0.991 6.978 -2.193 325 1HB TRP 47 1HB TRP 47 -1.503 7.247 -3.790 326 2HB TRP 47 2HB TRP 47 -1.680 6.860 -2.090 327 HD1 TRP 47 HD1 TRP 47 1.169 9.203 -3.215 328 HE1 TRP 47 HE1 TRP 47 0.805 11.654 -2.309 329 HE3 TRP 47 HE3 TRP 47 -3.504 8.394 -1.381 330 HZ2 TRP 47 HZ2 TRP 47 -1.348 12.951 -0.957 331 HZ3 TRP 47 HZ3 TRP 47 -4.668 10.305 -0.283 332 HH2 TRP 47 HH2 TRP 47 -3.664 12.523 -0.056 333 H CYS 48 H CYS 48 -1.011 4.665 -4.166 334 HA CYS 48 HA CYS 48 -0.839 2.767 -1.981 335 1HB CYS 48 1HB CYS 48 -2.970 3.343 -3.329 336 2HB CYS 48 2HB CYS 48 -2.286 2.328 -4.582 337 H PHE 49 H PHE 49 0.925 1.417 -1.957 338 HA PHE 49 HA PHE 49 1.864 0.425 -4.545 339 1HB PHE 49 1HB PHE 49 4.207 0.623 -3.386 340 2HB PHE 49 2HB PHE 49 3.479 2.122 -3.929 341 HD1 PHE 49 HD1 PHE 49 3.644 -0.043 -0.892 342 HD2 PHE 49 HD2 PHE 49 3.356 3.894 -2.450 343 HE1 PHE 49 HE1 PHE 49 3.831 0.890 1.430 344 HE2 PHE 49 HE2 PHE 49 3.543 4.827 -0.127 345 HZ PHE 49 HZ PHE 49 3.779 3.314 1.785 346 H LYS 50 H LYS 50 3.271 -1.579 -4.278 347 HA LYS 50 HA LYS 50 1.908 -3.445 -2.706 348 1HB LYS 50 1HB LYS 50 4.494 -3.507 -4.263 349 2HB LYS 50 2HB LYS 50 3.941 -4.897 -3.350 350 1HG LYS 50 1HG LYS 50 1.631 -4.153 -4.712 351 2HG LYS 50 2HG LYS 50 2.878 -3.752 -5.876 352 1HD LYS 50 1HD LYS 50 3.632 -6.283 -4.821 353 2HD LYS 50 2HD LYS 50 1.899 -6.384 -5.059 354 1HE LYS 50 1HE LYS 50 2.773 -5.096 -7.390 355 2HE LYS 50 2HE LYS 50 4.063 -6.238 -7.070 356 1HZ LYS 50 1HZ LYS 50 2.284 -7.932 -6.814 357 2HZ LYS 50 2HZ LYS 50 1.210 -6.840 -7.380 358 3HZ LYS 50 3HZ LYS 50 2.442 -7.339 -8.328 359 HA PRO 51 HA PRO 51 3.977 -3.283 1.077 360 1HB PRO 51 1HB PRO 51 4.026 -5.888 1.901 361 2HB PRO 51 2HB PRO 51 2.603 -4.872 2.019 362 1HG PRO 51 1HG PRO 51 3.174 -7.048 0.100 363 2HG PRO 51 2HG PRO 51 1.632 -6.322 0.510 364 1HD PRO 51 1HD PRO 51 3.179 -5.844 -1.858 365 2HD PRO 51 2HD PRO 51 1.697 -5.033 -1.393 366 H LEU 52 H LEU 52 5.990 -2.657 1.496 367 HA LEU 52 HA LEU 52 8.126 -3.249 0.030 368 1HB LEU 52 1HB LEU 52 8.468 -1.640 1.612 369 2HB LEU 52 2HB LEU 52 7.755 -2.583 2.906 370 HG LEU 52 HG LEU 52 10.392 -3.387 1.686 371 1HD1 LEU 52 1HD1 LEU 52 10.389 -0.946 2.430 372 2HD1 LEU 52 2HD1 LEU 52 10.182 -1.567 4.085 373 3HD1 LEU 52 3HD1 LEU 52 11.623 -2.013 3.141 374 1HD2 LEU 52 1HD2 LEU 52 8.781 -4.137 4.060 375 2HD2 LEU 52 2HD2 LEU 52 9.873 -5.112 3.048 376 3HD2 LEU 52 3HD2 LEU 52 10.542 -4.033 4.295 377 H GLN 53 H GLN 53 9.671 -4.863 -0.231 378 HA GLN 53 HA GLN 53 8.837 -7.441 0.205 379 1HB GLN 53 1HB GLN 53 11.300 -8.002 -0.312 380 2HB GLN 53 2HB GLN 53 10.428 -7.078 -1.519 381 1HG GLN 53 1HG GLN 53 11.758 -5.405 0.550 382 2HG GLN 53 2HG GLN 53 12.869 -6.353 -0.419 383 2HE2 GLN 53 2HE2 GLN 53 11.467 -3.456 -0.181 384 1HE2 GLN 53 1HE2 GLN 53 11.399 -2.945 -1.835 385 H GLU 54 H GLU 54 8.197 -7.651 2.441 386 HA GLU 54 HA GLU 54 9.857 -7.026 4.551 387 1HB GLU 54 1HB GLU 54 8.353 -8.468 5.890 388 2HB GLU 54 2HB GLU 54 7.443 -7.442 4.800 389 1HG GLU 54 1HG GLU 54 8.041 -9.832 3.341 390 2HG GLU 54 2HG GLU 54 7.515 -10.346 4.932 391 H ALA 55 H ALA 55 12.006 -7.745 4.277 392 HA ALA 55 HA ALA 55 12.317 -10.669 4.202 393 1HB ALA 55 1HB ALA 55 14.169 -10.407 2.851 394 2HB ALA 55 2HB ALA 55 14.556 -8.798 3.505 395 3HB ALA 55 3HB ALA 55 13.229 -8.987 2.333 396 H GLU 56 H GLU 56 12.115 -10.965 6.475 397 HA GLU 56 HA GLU 56 13.732 -9.367 8.191 398 1HB GLU 56 1HB GLU 56 11.415 -10.921 8.484 399 2HB GLU 56 2HB GLU 56 12.628 -11.834 9.359 400 1HG GLU 56 1HG GLU 56 13.270 -9.453 10.372 401 2HG GLU 56 2HG GLU 56 11.652 -9.014 9.863 402 H CYS 57 H CYS 57 13.894 -12.538 6.587 403 HA CYS 57 HA CYS 57 15.478 -14.047 6.434 404 1HB CYS 57 1HB CYS 57 17.229 -11.737 7.281 405 2HB CYS 57 2HB CYS 57 17.872 -13.310 6.853 406 H THR 58 H THR 58 17.466 -15.085 7.897 407 HA THR 58 HA THR 58 16.347 -16.195 10.104 408 HB THR 58 HB THR 58 18.401 -17.029 9.061 409 HG1 THR 58 HG1 THR 58 18.580 -17.631 11.200 410 1HG2 THR 58 1HG2 THR 58 19.277 -14.484 8.789 411 2HG2 THR 58 2HG2 THR 58 20.043 -14.852 10.354 412 3HG2 THR 58 3HG2 THR 58 20.417 -15.845 8.925 413 H PHE 59 H PHE 59 18.378 -13.201 10.047 414 HA PHE 59 HA PHE 59 16.894 -12.096 12.174 415 1HB PHE 59 1HB PHE 59 19.387 -13.695 12.666 416 2HB PHE 59 2HB PHE 59 19.417 -12.107 13.405 417 HD1 PHE 59 HD1 PHE 59 16.780 -11.637 14.385 418 HD2 PHE 59 HD2 PHE 59 18.921 -15.298 14.248 419 HE1 PHE 59 HE1 PHE 59 15.419 -12.505 16.306 420 HE2 PHE 59 HE2 PHE 59 17.560 -16.166 16.170 421 HZ PHE 59 HZ PHE 59 15.825 -14.759 17.176 No H/Q in entry = 421 Start of MODEL 13 1 H GLU 1 H GLU 1 9.213 -9.893 17.555 2 HA GLU 1 HA GLU 1 9.171 -11.652 19.076 3 1HB GLU 1 1HB GLU 1 7.641 -9.704 20.622 4 2HB GLU 1 2HB GLU 1 6.813 -11.249 20.601 5 1HG GLU 1 1HG GLU 1 8.265 -11.483 22.443 6 2HG GLU 1 2HG GLU 1 9.154 -12.285 21.163 7 H GLU 2 H GLU 2 6.074 -9.972 18.182 8 HA GLU 2 HA GLU 2 5.199 -12.511 17.062 9 1HB GLU 2 1HB GLU 2 2.921 -11.624 17.208 10 2HB GLU 2 2HB GLU 2 3.711 -11.470 18.765 11 1HG GLU 2 1HG GLU 2 4.135 -9.111 17.027 12 2HG GLU 2 2HG GLU 2 2.441 -9.407 17.366 13 H TYR 3 H TYR 3 4.305 -12.579 14.893 14 HA TYR 3 HA TYR 3 5.594 -10.687 13.146 15 1HB TYR 3 1HB TYR 3 5.206 -13.318 12.995 16 2HB TYR 3 2HB TYR 3 3.570 -12.909 12.518 17 HD1 TYR 3 HD1 TYR 3 7.073 -11.896 11.595 18 HD2 TYR 3 HD2 TYR 3 3.134 -12.882 10.245 19 HE1 TYR 3 HE1 TYR 3 7.831 -11.650 9.181 20 HE2 TYR 3 HE2 TYR 3 3.906 -12.632 7.835 21 HH TYR 3 HH TYR 3 7.167 -11.493 7.096 22 H VAL 4 H VAL 4 3.985 -10.331 11.010 23 HA VAL 4 HA VAL 4 2.315 -9.139 10.191 24 HB VAL 4 HB VAL 4 1.044 -10.455 12.539 25 1HG1 VAL 4 1HG1 VAL 4 -0.067 -8.039 11.132 26 2HG1 VAL 4 2HG1 VAL 4 -1.163 -9.323 11.696 27 3HG1 VAL 4 3HG1 VAL 4 -0.117 -8.473 12.858 28 1HG2 VAL 4 1HG2 VAL 4 0.963 -10.593 9.573 29 2HG2 VAL 4 2HG2 VAL 4 0.854 -11.888 10.790 30 3HG2 VAL 4 3HG2 VAL 4 -0.576 -10.895 10.415 31 H GLY 5 H GLY 5 3.408 -7.153 10.237 32 1HA GLY 5 1HA GLY 5 4.090 -5.149 11.086 33 2HA GLY 5 2HA GLY 5 3.442 -5.575 12.658 34 H LEU 6 H LEU 6 0.946 -6.364 10.635 35 HA LEU 6 HA LEU 6 -0.811 -5.283 9.751 36 1HB LEU 6 1HB LEU 6 -2.052 -4.001 11.512 37 2HB LEU 6 2HB LEU 6 -1.595 -5.643 11.917 38 HG LEU 6 HG LEU 6 0.132 -3.332 12.779 39 1HD1 LEU 6 1HD1 LEU 6 -2.352 -4.332 14.198 40 2HD1 LEU 6 2HD1 LEU 6 -1.117 -3.270 14.917 41 3HD1 LEU 6 3HD1 LEU 6 -2.076 -2.706 13.527 42 1HD2 LEU 6 1HD2 LEU 6 0.093 -6.194 13.183 43 2HD2 LEU 6 2HD2 LEU 6 1.341 -4.998 13.609 44 3HD2 LEU 6 3HD2 LEU 6 0.007 -5.333 14.739 45 H SER 7 H SER 7 0.034 -4.087 8.011 46 HA SER 7 HA SER 7 0.622 -2.333 6.870 47 1HB SER 7 1HB SER 7 -0.676 -0.369 7.143 48 2HB SER 7 2HB SER 7 -1.673 -1.637 7.826 49 HG SER 7 HG SER 7 -1.435 0.392 9.131 50 H ALA 8 H ALA 8 1.456 0.262 7.309 51 HA ALA 8 HA ALA 8 3.132 1.516 8.027 52 1HB ALA 8 1HB ALA 8 2.353 -0.025 10.426 53 2HB ALA 8 2HB ALA 8 2.661 1.718 10.236 54 3HB ALA 8 3HB ALA 8 4.022 0.594 10.467 55 H ASN 9 H ASN 9 4.106 -1.639 9.533 56 HA ASN 9 HA ASN 9 6.705 -1.483 8.816 57 1HB ASN 9 1HB ASN 9 4.945 -3.444 9.927 58 2HB ASN 9 2HB ASN 9 5.765 -4.253 8.606 59 2HD2 ASN 9 2HD2 ASN 9 5.889 -3.699 11.788 60 1HD2 ASN 9 1HD2 ASN 9 7.588 -3.798 12.109 61 H GLN 10 H GLN 10 4.206 -3.606 7.200 62 HA GLN 10 HA GLN 10 5.714 -4.264 5.033 63 1HB GLN 10 1HB GLN 10 3.368 -4.541 3.902 64 2HB GLN 10 2HB GLN 10 3.751 -5.515 5.308 65 1HG GLN 10 1HG GLN 10 2.669 -3.002 6.237 66 2HG GLN 10 2HG GLN 10 1.607 -3.615 4.985 67 2HE2 GLN 10 2HE2 GLN 10 3.676 -5.402 7.241 68 1HE2 GLN 10 1HE2 GLN 10 2.422 -6.267 8.065 69 H CYS 11 H CYS 11 3.726 -1.345 5.638 70 HA CYS 11 HA CYS 11 4.367 -0.395 2.961 71 1HB CYS 11 1HB CYS 11 2.713 1.266 4.768 72 2HB CYS 11 2HB CYS 11 2.548 0.946 3.053 73 H ALA 12 H ALA 12 6.540 -0.707 4.793 74 HA ALA 12 HA ALA 12 7.010 1.994 5.807 75 1HB ALA 12 1HB ALA 12 8.679 -0.514 6.206 76 2HB ALA 12 2HB ALA 12 7.308 -0.078 7.253 77 3HB ALA 12 3HB ALA 12 8.726 0.992 7.153 78 H VAL 13 H VAL 13 6.898 1.755 2.991 79 HA VAL 13 HA VAL 13 9.672 1.548 2.138 80 HB VAL 13 HB VAL 13 7.671 2.343 0.165 81 1HG1 VAL 13 1HG1 VAL 13 10.025 0.646 0.419 82 2HG1 VAL 13 2HG1 VAL 13 8.720 -0.163 -0.481 83 3HG1 VAL 13 3HG1 VAL 13 9.326 1.420 -1.023 84 1HG2 VAL 13 1HG2 VAL 13 7.165 -0.050 1.919 85 2HG2 VAL 13 2HG2 VAL 13 6.016 1.146 1.272 86 3HG2 VAL 13 3HG2 VAL 13 6.714 -0.090 0.197 87 HA PRO 14 HA PRO 14 10.228 5.832 2.090 88 1HB PRO 14 1HB PRO 14 12.144 6.129 0.164 89 2HB PRO 14 2HB PRO 14 12.502 5.614 1.800 90 1HG PRO 14 1HG PRO 14 12.412 3.998 -0.674 91 2HG PRO 14 2HG PRO 14 13.165 3.614 0.861 92 1HD PRO 14 1HD PRO 14 10.688 2.574 -0.143 93 2HD PRO 14 2HD PRO 14 11.383 2.281 1.439 94 H ALA 15 H ALA 15 10.277 4.756 -1.282 95 HA ALA 15 HA ALA 15 7.929 5.681 -2.122 96 1HB ALA 15 1HB ALA 15 9.631 7.944 -1.328 97 2HB ALA 15 2HB ALA 15 7.884 7.894 -1.666 98 3HB ALA 15 3HB ALA 15 9.045 8.068 -3.004 99 H LYS 16 H LYS 16 11.397 5.346 -2.539 100 HA LYS 16 HA LYS 16 11.124 5.300 -5.436 101 1HB LYS 16 1HB LYS 16 13.546 5.227 -5.466 102 2HB LYS 16 2HB LYS 16 12.998 6.540 -4.444 103 1HG LYS 16 1HG LYS 16 14.535 5.624 -2.984 104 2HG LYS 16 2HG LYS 16 13.162 4.631 -2.538 105 1HD LYS 16 1HD LYS 16 14.963 3.093 -2.902 106 2HD LYS 16 2HD LYS 16 13.936 2.944 -4.314 107 1HE LYS 16 1HE LYS 16 15.818 3.316 -5.544 108 2HE LYS 16 2HE LYS 16 15.664 4.996 -5.070 109 1HZ LYS 16 1HZ LYS 16 16.868 3.909 -2.949 110 2HZ LYS 16 2HZ LYS 16 17.522 3.033 -4.163 111 3HZ LYS 16 3HZ LYS 16 17.648 4.662 -4.171 112 H ASP 17 H ASP 17 10.393 3.249 -2.965 113 HA ASP 17 HA ASP 17 11.351 0.950 -4.483 114 1HB ASP 17 1HB ASP 17 11.323 1.574 -1.617 115 2HB ASP 17 2HB ASP 17 10.458 0.082 -1.930 116 H ARG 18 H ARG 18 8.779 2.867 -4.359 117 HA ARG 18 HA ARG 18 6.737 1.091 -3.548 118 1HB ARG 18 1HB ARG 18 6.374 3.544 -5.322 119 2HB ARG 18 2HB ARG 18 5.215 2.854 -4.203 120 1HG ARG 18 1HG ARG 18 7.867 4.145 -3.401 121 2HG ARG 18 2HG ARG 18 6.300 4.923 -3.298 122 1HD ARG 18 1HD ARG 18 5.570 2.934 -1.801 123 2HD ARG 18 2HD ARG 18 7.264 2.492 -1.730 124 HE ARG 18 HE ARG 18 7.565 4.203 -0.182 125 1HH1 ARG 18 1HH1 ARG 18 4.804 5.016 -2.207 126 2HH1 ARG 18 2HH1 ARG 18 4.440 6.475 -1.347 127 1HH2 ARG 18 1HH2 ARG 18 7.085 6.128 0.953 128 2HH2 ARG 18 2HH2 ARG 18 5.747 7.112 0.462 129 H VAL 19 H VAL 19 5.978 -0.614 -4.761 130 HA VAL 19 HA VAL 19 6.702 -0.754 -7.549 131 HB VAL 19 HB VAL 19 4.997 -2.732 -6.070 132 1HG1 VAL 19 1HG1 VAL 19 6.111 -2.648 -8.624 133 2HG1 VAL 19 2HG1 VAL 19 7.194 -3.727 -7.713 134 3HG1 VAL 19 3HG1 VAL 19 5.451 -4.080 -7.798 135 1HG2 VAL 19 1HG2 VAL 19 7.743 -1.925 -5.386 136 2HG2 VAL 19 2HG2 VAL 19 6.556 -2.868 -4.454 137 3HG2 VAL 19 3HG2 VAL 19 7.557 -3.669 -5.689 138 H ASP 20 H ASP 20 4.197 0.632 -5.717 139 HA ASP 20 HA ASP 20 2.266 1.475 -6.220 140 1HB ASP 20 1HB ASP 20 3.169 2.549 -8.148 141 2HB ASP 20 2HB ASP 20 3.351 1.038 -9.018 142 H CYS 21 H CYS 21 0.361 0.352 -5.786 143 HA CYS 21 HA CYS 21 0.101 -2.327 -6.795 144 1HB CYS 21 1HB CYS 21 -0.511 -1.288 -4.422 145 2HB CYS 21 2HB CYS 21 -2.050 -1.001 -5.209 146 H GLY 22 H GLY 22 -1.024 0.957 -7.444 147 1HA GLY 22 1HA GLY 22 -2.250 0.164 -9.895 148 2HA GLY 22 2HA GLY 22 -2.184 1.773 -9.202 149 H TYR 23 H TYR 23 -3.832 2.475 -7.688 150 HA TYR 23 HA TYR 23 -6.298 0.933 -8.002 151 1HB TYR 23 1HB TYR 23 -4.737 1.764 -5.535 152 2HB TYR 23 2HB TYR 23 -6.478 1.936 -5.434 153 HD1 TYR 23 HD1 TYR 23 -7.797 -0.263 -6.353 154 HD2 TYR 23 HD2 TYR 23 -3.836 -0.214 -4.737 155 HE1 TYR 23 HE1 TYR 23 -7.999 -2.728 -5.764 156 HE2 TYR 23 HE2 TYR 23 -4.052 -2.679 -4.153 157 HH TYR 23 HH TYR 23 -6.707 -4.578 -5.305 158 HA PRO 24 HA PRO 24 -7.891 4.893 -8.728 159 1HB PRO 24 1HB PRO 24 -10.568 4.403 -8.480 160 2HB PRO 24 2HB PRO 24 -9.657 4.034 -9.931 161 1HG PRO 24 1HG PRO 24 -10.664 2.186 -7.855 162 2HG PRO 24 2HG PRO 24 -10.140 1.823 -9.488 163 1HD PRO 24 1HD PRO 24 -8.667 1.362 -7.070 164 2HD PRO 24 2HD PRO 24 -8.099 1.108 -8.708 165 H HIS 25 H HIS 25 -10.027 3.573 -6.243 166 HA HIS 25 HA HIS 25 -9.737 6.097 -4.854 167 1HB HIS 25 1HB HIS 25 -11.644 5.433 -3.581 168 2HB HIS 25 2HB HIS 25 -11.975 5.104 -5.270 169 HD1 HIS 25 HD1 HIS 25 -13.595 3.629 -3.132 170 HD2 HIS 25 HD2 HIS 25 -10.044 2.128 -4.784 171 HE1 HIS 25 HE1 HIS 25 -13.663 1.100 -2.794 172 HE2 HIS 25 HE2 HIS 25 -11.481 0.228 -3.878 173 H VAL 26 H VAL 26 -7.517 5.876 -4.166 174 HA VAL 26 HA VAL 26 -7.019 3.677 -2.312 175 HB VAL 26 HB VAL 26 -4.674 4.481 -2.458 176 1HG1 VAL 26 1HG1 VAL 26 -5.459 2.661 -3.889 177 2HG1 VAL 26 2HG1 VAL 26 -6.017 3.835 -5.105 178 3HG1 VAL 26 3HG1 VAL 26 -4.279 3.673 -4.757 179 1HG2 VAL 26 1HG2 VAL 26 -5.872 6.790 -3.565 180 2HG2 VAL 26 2HG2 VAL 26 -4.138 6.459 -3.338 181 3HG2 VAL 26 3HG2 VAL 26 -4.932 6.036 -4.874 182 H THR 27 H THR 27 -6.735 3.981 -0.118 183 HA THR 27 HA THR 27 -6.463 6.678 0.904 184 HB THR 27 HB THR 27 -8.567 6.794 1.957 185 HG1 THR 27 HG1 THR 27 -9.582 4.836 2.619 186 1HG2 THR 27 1HG2 THR 27 -9.079 4.972 -0.454 187 2HG2 THR 27 2HG2 THR 27 -10.347 5.844 0.441 188 3HG2 THR 27 3HG2 THR 27 -9.111 6.752 -0.462 189 HA PRO 28 HA PRO 28 -4.452 4.656 4.115 190 1HB PRO 28 1HB PRO 28 -5.132 6.018 6.384 191 2HB PRO 28 2HB PRO 28 -3.958 6.611 5.227 192 1HG PRO 28 1HG PRO 28 -6.740 7.507 5.668 193 2HG PRO 28 2HG PRO 28 -5.437 8.338 4.842 194 1HD PRO 28 1HD PRO 28 -7.646 6.973 3.625 195 2HD PRO 28 2HD PRO 28 -6.283 7.703 2.801 196 H LYS 29 H LYS 29 -6.760 3.290 3.303 197 HA LYS 29 HA LYS 29 -6.943 1.455 5.369 198 1HB LYS 29 1HB LYS 29 -8.256 3.577 6.272 199 2HB LYS 29 2HB LYS 29 -9.545 2.936 5.273 200 1HG LYS 29 1HG LYS 29 -8.115 0.940 6.990 201 2HG LYS 29 2HG LYS 29 -9.082 2.126 7.845 202 1HD LYS 29 1HD LYS 29 -10.506 1.054 5.501 203 2HD LYS 29 2HD LYS 29 -10.025 -0.222 6.601 204 1HE LYS 29 1HE LYS 29 -10.980 1.720 8.356 205 2HE LYS 29 2HE LYS 29 -12.037 1.929 6.974 206 1HZ LYS 29 1HZ LYS 29 -11.817 -0.768 7.328 207 2HZ LYS 29 2HZ LYS 29 -11.981 -0.169 8.838 208 3HZ LYS 29 3HZ LYS 29 -13.105 0.164 7.701 209 H GLU 30 H GLU 30 -8.855 3.104 2.770 210 HA GLU 30 HA GLU 30 -10.086 0.734 1.949 211 1HB GLU 30 1HB GLU 30 -11.077 2.888 1.420 212 2HB GLU 30 2HB GLU 30 -9.641 3.408 0.561 213 1HG GLU 30 1HG GLU 30 -10.352 2.429 -1.359 214 2HG GLU 30 2HG GLU 30 -10.556 0.884 -0.558 215 H CYS 31 H CYS 31 -7.128 2.507 0.891 216 HA CYS 31 HA CYS 31 -6.613 0.895 -1.330 217 1HB CYS 31 1HB CYS 31 -5.440 2.842 -1.422 218 2HB CYS 31 2HB CYS 31 -5.098 2.865 0.296 219 H ASN 32 H ASN 32 -5.781 0.716 2.168 220 HA ASN 32 HA ASN 32 -4.114 -1.553 1.766 221 1HB ASN 32 1HB ASN 32 -3.505 -0.195 3.639 222 2HB ASN 32 2HB ASN 32 -5.165 -0.026 4.177 223 2HD2 ASN 32 2HD2 ASN 32 -5.951 -1.355 5.655 224 1HD2 ASN 32 1HD2 ASN 32 -5.179 -2.775 6.277 225 H ASN 33 H ASN 33 -7.461 -0.978 1.788 226 HA ASN 33 HA ASN 33 -8.133 -3.408 3.178 227 1HB ASN 33 1HB ASN 33 -9.586 -1.451 3.541 228 2HB ASN 33 2HB ASN 33 -9.817 -1.244 1.817 229 2HD2 ASN 33 2HD2 ASN 33 -12.047 -1.329 3.052 230 1HD2 ASN 33 1HD2 ASN 33 -12.874 -2.848 2.961 231 H ARG 34 H ARG 34 -8.080 -1.903 -0.093 232 HA ARG 34 HA ARG 34 -9.513 -3.837 -1.419 233 1HB ARG 34 1HB ARG 34 -8.349 -1.466 -2.121 234 2HB ARG 34 2HB ARG 34 -7.190 -2.565 -2.843 235 1HG ARG 34 1HG ARG 34 -9.102 -1.876 -4.378 236 2HG ARG 34 2HG ARG 34 -8.875 -3.607 -4.222 237 1HD ARG 34 1HD ARG 34 -10.820 -3.895 -2.937 238 2HD ARG 34 2HD ARG 34 -10.769 -2.267 -2.292 239 HE ARG 34 HE ARG 34 -12.080 -1.574 -4.089 240 1HH1 ARG 34 1HH1 ARG 34 -10.403 -4.530 -5.004 241 2HH1 ARG 34 2HH1 ARG 34 -11.190 -4.652 -6.542 242 1HH2 ARG 34 1HH2 ARG 34 -13.118 -1.734 -6.119 243 2HH2 ARG 34 2HH2 ARG 34 -12.744 -3.051 -7.181 244 H GLY 35 H GLY 35 -6.284 -3.864 -0.061 245 1HA GLY 35 1HA GLY 35 -5.747 -6.443 -1.409 246 2HA GLY 35 2HA GLY 35 -5.336 -6.078 0.255 247 H CYS 36 H CYS 36 -3.832 -4.110 0.601 248 HA CYS 36 HA CYS 36 -1.457 -4.540 -0.655 249 1HB CYS 36 1HB CYS 36 -3.129 -3.219 -2.457 250 2HB CYS 36 2HB CYS 36 -2.108 -1.951 -1.809 251 H CYS 37 H CYS 37 -0.562 -1.698 -0.706 252 HA CYS 37 HA CYS 37 -1.099 -1.013 2.092 253 1HB CYS 37 1HB CYS 37 1.481 -1.295 0.630 254 2HB CYS 37 2HB CYS 37 1.346 0.018 1.783 255 H PHE 38 H PHE 38 -1.094 1.322 2.535 256 HA PHE 38 HA PHE 38 -1.488 2.892 0.085 257 1HB PHE 38 1HB PHE 38 -3.545 2.586 1.439 258 2HB PHE 38 2HB PHE 38 -2.682 2.970 2.915 259 HD1 PHE 38 HD1 PHE 38 -4.053 4.387 -0.198 260 HD2 PHE 38 HD2 PHE 38 -2.340 5.235 3.591 261 HE1 PHE 38 HE1 PHE 38 -4.716 6.796 -0.437 262 HE2 PHE 38 HE2 PHE 38 -3.003 7.643 3.352 263 HZ PHE 38 HZ PHE 38 -4.184 8.395 1.341 264 H ASP 39 H ASP 39 -1.249 5.394 0.655 265 HA ASP 39 HA ASP 39 0.412 6.156 2.705 266 1HB ASP 39 1HB ASP 39 2.146 4.798 1.572 267 2HB ASP 39 2HB ASP 39 1.847 5.632 0.060 268 H SER 40 H SER 40 0.606 8.487 2.643 269 HA SER 40 HA SER 40 -0.197 9.727 0.142 270 1HB SER 40 1HB SER 40 -1.700 11.273 1.352 271 2HB SER 40 2HB SER 40 -2.218 9.610 1.548 272 HG SER 40 HG SER 40 -1.912 11.257 3.506 273 H ARG 41 H ARG 41 2.339 9.278 1.892 274 HA ARG 41 HA ARG 41 3.009 11.664 3.085 275 1HB ARG 41 1HB ARG 41 4.188 9.222 2.904 276 2HB ARG 41 2HB ARG 41 5.161 10.061 1.712 277 1HG ARG 41 1HG ARG 41 4.924 11.816 3.973 278 2HG ARG 41 2HG ARG 41 5.304 10.226 4.604 279 1HD ARG 41 1HD ARG 41 7.045 10.360 2.459 280 2HD ARG 41 2HD ARG 41 6.973 12.046 2.930 281 HE ARG 41 HE ARG 41 7.292 10.576 5.322 282 1HH1 ARG 41 1HH1 ARG 41 9.101 11.134 2.356 283 2HH1 ARG 41 2HH1 ARG 41 10.647 10.911 3.106 284 1HH2 ARG 41 1HH2 ARG 41 9.331 10.281 6.312 285 2HH2 ARG 41 2HH2 ARG 41 10.778 10.423 5.371 286 H ILE 42 H ILE 42 3.260 10.509 -0.304 287 HA ILE 42 HA ILE 42 3.568 13.218 -1.197 288 HB ILE 42 HB ILE 42 5.613 12.156 -2.633 289 1HG1 ILE 42 1HG1 ILE 42 7.180 11.126 -1.007 290 2HG1 ILE 42 2HG1 ILE 42 5.894 11.062 0.182 291 1HG2 ILE 42 1HG2 ILE 42 5.271 14.365 -1.272 292 2HG2 ILE 42 2HG2 ILE 42 6.223 13.515 -0.030 293 3HG2 ILE 42 3HG2 ILE 42 6.911 13.784 -1.649 294 1HD1 ILE 42 1HD1 ILE 42 5.546 9.817 -2.570 295 2HD1 ILE 42 2HD1 ILE 42 6.318 8.929 -1.234 296 3HD1 ILE 42 3HD1 ILE 42 4.632 9.480 -1.080 297 HA PRO 43 HA PRO 43 1.209 11.319 -4.293 298 1HB PRO 43 1HB PRO 43 0.927 13.449 -5.981 299 2HB PRO 43 2HB PRO 43 -0.074 13.211 -4.563 300 1HG PRO 43 1HG PRO 43 2.148 15.119 -4.964 301 2HG PRO 43 2HG PRO 43 0.882 15.147 -3.752 302 1HD PRO 43 1HD PRO 43 3.610 14.350 -3.366 303 2HD PRO 43 2HD PRO 43 2.318 14.268 -2.186 304 H GLY 44 H GLY 44 4.095 13.084 -5.169 305 1HA GLY 44 1HA GLY 44 5.782 12.416 -6.527 306 2HA GLY 44 2HA GLY 44 4.513 12.417 -7.734 307 H VAL 45 H VAL 45 4.632 10.193 -4.917 308 HA VAL 45 HA VAL 45 5.409 8.029 -6.728 309 HB VAL 45 HB VAL 45 6.305 6.953 -4.931 310 1HG1 VAL 45 1HG1 VAL 45 6.465 9.917 -4.428 311 2HG1 VAL 45 2HG1 VAL 45 7.251 8.774 -3.313 312 3HG1 VAL 45 3HG1 VAL 45 7.712 8.799 -5.032 313 1HG2 VAL 45 1HG2 VAL 45 4.201 8.347 -3.278 314 2HG2 VAL 45 2HG2 VAL 45 4.489 6.604 -3.501 315 3HG2 VAL 45 3HG2 VAL 45 5.608 7.572 -2.511 316 HA PRO 46 HA PRO 46 1.513 6.175 -6.434 317 1HB PRO 46 1HB PRO 46 1.999 3.508 -6.088 318 2HB PRO 46 2HB PRO 46 2.149 4.316 -7.636 319 1HG PRO 46 1HG PRO 46 4.285 3.399 -5.810 320 2HG PRO 46 2HG PRO 46 4.395 3.810 -7.510 321 1HD PRO 46 1HD PRO 46 5.248 5.422 -5.296 322 2HD PRO 46 2HD PRO 46 5.251 5.879 -6.988 323 H TRP 47 H TRP 47 0.603 7.252 -4.677 324 HA TRP 47 HA TRP 47 1.001 6.929 -2.099 325 1HB TRP 47 1HB TRP 47 -1.504 7.215 -3.685 326 2HB TRP 47 2HB TRP 47 -1.659 6.876 -1.973 327 HD1 TRP 47 HD1 TRP 47 1.209 9.140 -3.203 328 HE1 TRP 47 HE1 TRP 47 0.900 11.620 -2.357 329 HE3 TRP 47 HE3 TRP 47 -3.447 8.458 -1.278 330 HZ2 TRP 47 HZ2 TRP 47 -1.210 12.988 -1.008 331 HZ3 TRP 47 HZ3 TRP 47 -4.562 10.418 -0.213 332 HH2 TRP 47 HH2 TRP 47 -3.519 12.623 -0.061 333 H CYS 48 H CYS 48 -1.016 4.643 -4.087 334 HA CYS 48 HA CYS 48 -0.888 2.744 -1.897 335 1HB CYS 48 1HB CYS 48 -3.011 3.346 -3.228 336 2HB CYS 48 2HB CYS 48 -2.341 2.352 -4.506 337 H PHE 49 H PHE 49 0.907 1.432 -1.868 338 HA PHE 49 HA PHE 49 1.820 0.404 -4.455 339 1HB PHE 49 1HB PHE 49 4.162 0.577 -3.296 340 2HB PHE 49 2HB PHE 49 3.449 2.087 -3.829 341 HD1 PHE 49 HD1 PHE 49 3.592 -0.100 -0.807 342 HD2 PHE 49 HD2 PHE 49 3.346 3.850 -2.338 343 HE1 PHE 49 HE1 PHE 49 3.789 0.816 1.522 344 HE2 PHE 49 HE2 PHE 49 3.543 4.766 -0.009 345 HZ PHE 49 HZ PHE 49 3.762 3.237 1.893 346 H LYS 50 H LYS 50 3.243 -1.603 -4.162 347 HA LYS 50 HA LYS 50 1.842 -3.453 -2.582 348 1HB LYS 50 1HB LYS 50 4.362 -3.540 -4.230 349 2HB LYS 50 2HB LYS 50 3.892 -4.914 -3.250 350 1HG LYS 50 1HG LYS 50 1.505 -4.147 -4.557 351 2HG LYS 50 2HG LYS 50 2.745 -3.958 -5.781 352 1HD LYS 50 1HD LYS 50 3.344 -6.411 -4.455 353 2HD LYS 50 2HD LYS 50 1.607 -6.413 -4.690 354 1HE LYS 50 1HE LYS 50 2.668 -5.422 -7.130 355 2HE LYS 50 2HE LYS 50 3.738 -6.734 -6.675 356 1HZ LYS 50 1HZ LYS 50 1.408 -7.838 -6.179 357 2HZ LYS 50 2HZ LYS 50 0.948 -6.825 -7.374 358 3HZ LYS 50 3HZ LYS 50 2.127 -7.922 -7.643 359 HA PRO 51 HA PRO 51 3.989 -3.337 1.159 360 1HB PRO 51 1HB PRO 51 4.054 -5.949 1.963 361 2HB PRO 51 2HB PRO 51 2.633 -4.934 2.115 362 1HG PRO 51 1HG PRO 51 3.168 -7.095 0.170 363 2HG PRO 51 2HG PRO 51 1.635 -6.373 0.614 364 1HD PRO 51 1HD PRO 51 3.136 -5.877 -1.779 365 2HD PRO 51 2HD PRO 51 1.663 -5.070 -1.280 366 H LEU 52 H LEU 52 6.009 -2.712 1.541 367 HA LEU 52 HA LEU 52 8.122 -3.248 0.049 368 1HB LEU 52 1HB LEU 52 8.238 -1.707 1.846 369 2HB LEU 52 2HB LEU 52 7.964 -2.957 3.043 370 HG LEU 52 HG LEU 52 10.435 -2.774 1.297 371 1HD1 LEU 52 1HD1 LEU 52 9.742 -1.087 3.400 372 2HD1 LEU 52 2HD1 LEU 52 10.838 -2.284 4.134 373 3HD1 LEU 52 3HD1 LEU 52 11.367 -1.341 2.720 374 1HD2 LEU 52 1HD2 LEU 52 9.423 -4.781 3.187 375 2HD2 LEU 52 2HD2 LEU 52 10.657 -4.914 1.911 376 3HD2 LEU 52 3HD2 LEU 52 11.094 -4.257 3.506 377 H GLN 53 H GLN 53 9.246 -4.981 -0.660 378 HA GLN 53 HA GLN 53 8.518 -7.531 0.228 379 1HB GLN 53 1HB GLN 53 10.062 -8.345 -1.418 380 2HB GLN 53 2HB GLN 53 9.356 -6.887 -2.088 381 1HG GLN 53 1HG GLN 53 12.153 -7.368 -1.103 382 2HG GLN 53 2HG GLN 53 11.610 -6.469 -2.505 383 2HE2 GLN 53 2HE2 GLN 53 10.379 -4.451 -2.066 384 1HE2 GLN 53 1HE2 GLN 53 10.902 -3.429 -0.769 385 H GLU 54 H GLU 54 9.015 -6.731 2.622 386 HA GLU 54 HA GLU 54 11.387 -6.307 3.676 387 1HB GLU 54 1HB GLU 54 10.587 -7.277 5.722 388 2HB GLU 54 2HB GLU 54 9.176 -6.666 4.881 389 1HG GLU 54 1HG GLU 54 8.323 -8.757 5.259 390 2HG GLU 54 2HG GLU 54 9.270 -9.210 3.856 391 H ALA 55 H ALA 55 13.387 -7.255 3.745 392 HA ALA 55 HA ALA 55 13.730 -10.048 3.913 393 1HB ALA 55 1HB ALA 55 14.069 -10.700 1.771 394 2HB ALA 55 2HB ALA 55 13.158 -9.234 1.334 395 3HB ALA 55 3HB ALA 55 14.937 -9.202 1.356 396 H GLU 56 H GLU 56 15.435 -7.270 2.290 397 HA GLU 56 HA GLU 56 17.089 -6.815 4.480 398 1HB GLU 56 1HB GLU 56 17.953 -9.096 3.568 399 2HB GLU 56 2HB GLU 56 18.579 -8.180 2.212 400 1HG GLU 56 1HG GLU 56 19.213 -7.487 5.116 401 2HG GLU 56 2HG GLU 56 20.217 -8.549 4.148 402 H CYS 57 H CYS 57 16.632 -4.631 4.044 403 HA CYS 57 HA CYS 57 17.676 -3.668 1.479 404 1HB CYS 57 1HB CYS 57 15.093 -3.406 2.473 405 2HB CYS 57 2HB CYS 57 15.835 -1.860 2.838 406 H THR 58 H THR 58 16.842 -2.514 4.839 407 HA THR 58 HA THR 58 18.908 -0.560 4.817 408 HB THR 58 HB THR 58 17.018 -1.738 6.908 409 HG1 THR 58 HG1 THR 58 15.868 -0.136 5.908 410 1HG2 THR 58 1HG2 THR 58 19.419 -0.532 7.607 411 2HG2 THR 58 2HG2 THR 58 18.345 0.877 7.436 412 3HG2 THR 58 3HG2 THR 58 17.928 -0.427 8.574 413 H PHE 59 H PHE 59 21.028 -0.800 5.090 414 HA PHE 59 HA PHE 59 22.952 -1.876 5.399 415 1HB PHE 59 1HB PHE 59 21.448 -1.458 7.864 416 2HB PHE 59 2HB PHE 59 22.367 -2.939 8.050 417 HD1 PHE 59 HD1 PHE 59 23.082 0.382 6.478 418 HD2 PHE 59 HD2 PHE 59 24.291 -2.591 9.255 419 HE1 PHE 59 HE1 PHE 59 25.132 1.723 7.022 420 HE2 PHE 59 HE2 PHE 59 26.341 -1.250 9.799 421 HZ PHE 59 HZ PHE 59 26.737 0.892 8.676 No H/Q in entry = 421 Start of MODEL 14 1 H GLU 1 H GLU 1 9.666 -14.194 21.910 2 HA GLU 1 HA GLU 1 7.285 -14.522 20.589 3 1HB GLU 1 1HB GLU 1 8.757 -12.303 21.891 4 2HB GLU 1 2HB GLU 1 7.632 -11.767 20.659 5 1HG GLU 1 1HG GLU 1 6.859 -13.725 22.869 6 2HG GLU 1 2HG GLU 1 6.666 -11.990 23.024 7 H GLU 2 H GLU 2 6.505 -13.998 18.525 8 HA GLU 2 HA GLU 2 8.609 -13.401 16.617 9 1HB GLU 2 1HB GLU 2 6.940 -15.446 16.496 10 2HB GLU 2 2HB GLU 2 5.808 -14.266 15.865 11 1HG GLU 2 1HG GLU 2 8.540 -14.212 14.644 12 2HG GLU 2 2HG GLU 2 7.592 -15.647 14.308 13 H TYR 3 H TYR 3 8.488 -11.627 15.182 14 HA TYR 3 HA TYR 3 7.099 -9.380 16.116 15 1HB TYR 3 1HB TYR 3 9.242 -9.858 14.544 16 2HB TYR 3 2HB TYR 3 8.060 -9.855 13.250 17 HD1 TYR 3 HD1 TYR 3 8.461 -7.699 16.302 18 HD2 TYR 3 HD2 TYR 3 8.259 -7.890 12.033 19 HE1 TYR 3 HE1 TYR 3 8.598 -5.163 16.174 20 HE2 TYR 3 HE2 TYR 3 8.397 -5.354 11.920 21 HH TYR 3 HH TYR 3 8.327 -3.412 14.861 22 H VAL 4 H VAL 4 5.674 -7.999 14.565 23 HA VAL 4 HA VAL 4 3.931 -9.622 12.915 24 HB VAL 4 HB VAL 4 3.147 -8.356 15.515 25 1HG1 VAL 4 1HG1 VAL 4 1.647 -8.186 12.996 26 2HG1 VAL 4 2HG1 VAL 4 0.729 -8.942 14.320 27 3HG1 VAL 4 3HG1 VAL 4 1.418 -7.314 14.531 28 1HG2 VAL 4 1HG2 VAL 4 2.924 -11.020 14.191 29 2HG2 VAL 4 2HG2 VAL 4 3.264 -10.604 15.888 30 3HG2 VAL 4 3HG2 VAL 4 1.596 -10.527 15.270 31 H GLY 5 H GLY 5 3.879 -8.521 11.030 32 1HA GLY 5 1HA GLY 5 4.733 -6.439 9.999 33 2HA GLY 5 2HA GLY 5 3.794 -5.566 11.194 34 H LEU 6 H LEU 6 1.597 -5.189 10.861 35 HA LEU 6 HA LEU 6 0.440 -6.507 8.505 36 1HB LEU 6 1HB LEU 6 -1.750 -5.810 9.656 37 2HB LEU 6 2HB LEU 6 -0.877 -7.216 10.235 38 HG LEU 6 HG LEU 6 -0.212 -4.659 11.583 39 1HD1 LEU 6 1HD1 LEU 6 -2.643 -4.416 11.243 40 2HD1 LEU 6 2HD1 LEU 6 -2.898 -5.984 12.047 41 3HD1 LEU 6 3HD1 LEU 6 -2.209 -4.619 12.957 42 1HD2 LEU 6 1HD2 LEU 6 -0.366 -7.554 12.205 43 2HD2 LEU 6 2HD2 LEU 6 0.827 -6.327 12.696 44 3HD2 LEU 6 3HD2 LEU 6 -0.738 -6.434 13.538 45 H SER 7 H SER 7 1.622 -3.567 9.881 46 HA SER 7 HA SER 7 0.929 -2.200 7.500 47 1HB SER 7 1HB SER 7 -0.288 -0.324 8.619 48 2HB SER 7 2HB SER 7 -1.177 -1.833 8.671 49 HG SER 7 HG SER 7 0.486 -0.842 10.828 50 H ALA 8 H ALA 8 1.910 0.098 7.545 51 HA ALA 8 HA ALA 8 3.534 1.528 8.047 52 1HB ALA 8 1HB ALA 8 2.888 0.368 10.591 53 2HB ALA 8 2HB ALA 8 4.657 0.539 10.488 54 3HB ALA 8 3HB ALA 8 3.610 1.959 10.248 55 H ASN 9 H ASN 9 4.995 -1.263 9.799 56 HA ASN 9 HA ASN 9 7.409 -1.089 8.642 57 1HB ASN 9 1HB ASN 9 5.832 -3.460 9.714 58 2HB ASN 9 2HB ASN 9 7.438 -3.716 9.061 59 2HD2 ASN 9 2HD2 ASN 9 5.769 -3.223 11.802 60 1HD2 ASN 9 1HD2 ASN 9 6.963 -2.490 12.821 61 H GLN 10 H GLN 10 4.477 -2.892 7.526 62 HA GLN 10 HA GLN 10 5.806 -4.068 5.334 63 1HB GLN 10 1HB GLN 10 3.511 -4.640 6.646 64 2HB GLN 10 2HB GLN 10 2.824 -3.723 5.320 65 1HG GLN 10 1HG GLN 10 4.162 -5.210 3.719 66 2HG GLN 10 2HG GLN 10 4.596 -6.198 5.100 67 2HE2 GLN 10 2HE2 GLN 10 3.187 -7.615 5.946 68 1HE2 GLN 10 1HE2 GLN 10 1.590 -7.919 5.349 69 H CYS 11 H CYS 11 4.066 -1.032 5.939 70 HA CYS 11 HA CYS 11 4.368 -0.390 3.096 71 1HB CYS 11 1HB CYS 11 2.576 1.221 4.847 72 2HB CYS 11 2HB CYS 11 2.465 0.878 3.132 73 H ALA 12 H ALA 12 6.660 -0.284 4.649 74 HA ALA 12 HA ALA 12 6.901 2.579 5.280 75 1HB ALA 12 1HB ALA 12 8.941 1.595 6.645 76 2HB ALA 12 2HB ALA 12 7.295 1.534 7.320 77 3HB ALA 12 3HB ALA 12 8.001 0.086 6.563 78 H VAL 13 H VAL 13 7.036 2.146 2.657 79 HA VAL 13 HA VAL 13 9.776 1.478 1.956 80 HB VAL 13 HB VAL 13 7.908 2.431 -0.111 81 1HG1 VAL 13 1HG1 VAL 13 10.103 0.525 0.226 82 2HG1 VAL 13 2HG1 VAL 13 8.753 -0.139 -0.724 83 3HG1 VAL 13 3HG1 VAL 13 9.538 1.376 -1.232 84 1HG2 VAL 13 1HG2 VAL 13 7.235 0.079 1.657 85 2HG2 VAL 13 2HG2 VAL 13 6.180 1.392 1.082 86 3HG2 VAL 13 3HG2 VAL 13 6.728 0.131 -0.049 87 HA PRO 14 HA PRO 14 10.991 5.615 1.681 88 1HB PRO 14 1HB PRO 14 13.044 5.466 -0.117 89 2HB PRO 14 2HB PRO 14 13.216 5.034 1.572 90 1HG PRO 14 1HG PRO 14 13.028 3.260 -0.785 91 2HG PRO 14 2HG PRO 14 13.616 2.889 0.823 92 1HD PRO 14 1HD PRO 14 11.073 2.159 -0.285 93 2HD PRO 14 2HD PRO 14 11.615 1.891 1.360 94 H ALA 15 H ALA 15 9.230 4.182 -0.612 95 HA ALA 15 HA ALA 15 7.826 5.185 -2.057 96 1HB ALA 15 1HB ALA 15 8.755 7.400 -0.754 97 2HB ALA 15 2HB ALA 15 7.618 7.451 -2.123 98 3HB ALA 15 3HB ALA 15 9.358 7.705 -2.401 99 H LYS 16 H LYS 16 11.345 5.212 -2.290 100 HA LYS 16 HA LYS 16 11.253 5.300 -5.186 101 1HB LYS 16 1HB LYS 16 13.671 5.345 -5.054 102 2HB LYS 16 2HB LYS 16 12.990 6.548 -3.977 103 1HG LYS 16 1HG LYS 16 14.615 5.531 -2.611 104 2HG LYS 16 2HG LYS 16 13.156 4.687 -2.132 105 1HD LYS 16 1HD LYS 16 13.925 2.691 -2.920 106 2HD LYS 16 2HD LYS 16 14.418 3.392 -4.448 107 1HE LYS 16 1HE LYS 16 16.591 3.777 -3.738 108 2HE LYS 16 2HE LYS 16 16.108 4.136 -2.092 109 1HZ LYS 16 1HZ LYS 16 15.977 1.427 -3.209 110 2HZ LYS 16 2HZ LYS 16 17.295 1.999 -2.433 111 3HZ LYS 16 3HZ LYS 16 15.875 1.863 -1.639 112 H ASP 17 H ASP 17 10.318 3.051 -3.058 113 HA ASP 17 HA ASP 17 11.437 0.925 -4.705 114 1HB ASP 17 1HB ASP 17 11.759 1.317 -1.882 115 2HB ASP 17 2HB ASP 17 10.657 -0.032 -2.071 116 H ARG 18 H ARG 18 8.845 2.636 -4.583 117 HA ARG 18 HA ARG 18 6.866 0.866 -3.623 118 1HB ARG 18 1HB ARG 18 6.419 3.176 -5.565 119 2HB ARG 18 2HB ARG 18 5.285 2.532 -4.394 120 1HG ARG 18 1HG ARG 18 7.926 3.648 -3.420 121 2HG ARG 18 2HG ARG 18 6.648 4.759 -3.870 122 1HD ARG 18 1HD ARG 18 5.294 2.878 -2.298 123 2HD ARG 18 2HD ARG 18 6.851 2.994 -1.502 124 HE ARG 18 HE ARG 18 5.553 5.564 -2.206 125 1HH1 ARG 18 1HH1 ARG 18 6.242 3.163 0.272 126 2HH1 ARG 18 2HH1 ARG 18 5.900 4.236 1.588 127 1HH2 ARG 18 1HH2 ARG 18 5.101 6.981 -0.470 128 2HH2 ARG 18 2HH2 ARG 18 5.247 6.422 1.163 129 H VAL 19 H VAL 19 5.569 -0.600 -4.800 130 HA VAL 19 HA VAL 19 6.503 -1.131 -7.512 131 HB VAL 19 HB VAL 19 4.883 -2.736 -5.528 132 1HG1 VAL 19 1HG1 VAL 19 5.708 -3.371 -8.374 133 2HG1 VAL 19 2HG1 VAL 19 5.243 -4.618 -7.192 134 3HG1 VAL 19 3HG1 VAL 19 4.071 -3.368 -7.675 135 1HG2 VAL 19 1HG2 VAL 19 7.612 -2.305 -5.630 136 2HG2 VAL 19 2HG2 VAL 19 6.802 -3.687 -4.854 137 3HG2 VAL 19 3HG2 VAL 19 7.418 -3.835 -6.517 138 H ASP 20 H ASP 20 4.217 0.767 -6.011 139 HA ASP 20 HA ASP 20 2.285 1.603 -6.553 140 1HB ASP 20 1HB ASP 20 3.363 2.579 -8.440 141 2HB ASP 20 2HB ASP 20 3.511 1.042 -9.268 142 H CYS 21 H CYS 21 0.648 0.190 -5.794 143 HA CYS 21 HA CYS 21 0.157 -2.304 -7.024 144 1HB CYS 21 1HB CYS 21 -0.401 -1.231 -4.595 145 2HB CYS 21 2HB CYS 21 -1.970 -1.093 -5.364 146 H GLY 22 H GLY 22 -0.818 1.029 -7.556 147 1HA GLY 22 1HA GLY 22 -2.131 0.424 -9.985 148 2HA GLY 22 2HA GLY 22 -2.067 1.974 -9.172 149 H TYR 23 H TYR 23 -3.758 2.627 -7.748 150 HA TYR 23 HA TYR 23 -6.175 1.008 -8.047 151 1HB TYR 23 1HB TYR 23 -4.647 1.916 -5.582 152 2HB TYR 23 2HB TYR 23 -6.395 1.997 -5.485 153 HD1 TYR 23 HD1 TYR 23 -7.645 -0.238 -6.270 154 HD2 TYR 23 HD2 TYR 23 -3.595 -0.043 -4.906 155 HE1 TYR 23 HE1 TYR 23 -7.719 -2.708 -5.675 156 HE2 TYR 23 HE2 TYR 23 -3.683 -2.514 -4.315 157 HH TYR 23 HH TYR 23 -5.363 -4.167 -3.744 158 HA PRO 24 HA PRO 24 -7.911 4.908 -8.764 159 1HB PRO 24 1HB PRO 24 -10.565 4.356 -8.425 160 2HB PRO 24 2HB PRO 24 -9.690 3.985 -9.897 161 1HG PRO 24 1HG PRO 24 -10.585 2.149 -7.759 162 2HG PRO 24 2HG PRO 24 -10.103 1.770 -9.400 163 1HD PRO 24 1HD PRO 24 -8.544 1.390 -7.022 164 2HD PRO 24 2HD PRO 24 -8.021 1.121 -8.673 165 H HIS 25 H HIS 25 -10.083 3.686 -6.278 166 HA HIS 25 HA HIS 25 -9.701 6.197 -4.899 167 1HB HIS 25 1HB HIS 25 -11.622 5.575 -3.603 168 2HB HIS 25 2HB HIS 25 -11.967 5.302 -5.299 169 HD1 HIS 25 HD1 HIS 25 -13.747 3.812 -3.436 170 HD2 HIS 25 HD2 HIS 25 -10.043 2.266 -4.656 171 HE1 HIS 25 HE1 HIS 25 -13.881 1.286 -3.099 172 HE2 HIS 25 HE2 HIS 25 -11.597 0.386 -3.917 173 H VAL 26 H VAL 26 -7.504 5.939 -4.180 174 HA VAL 26 HA VAL 26 -7.045 3.720 -2.345 175 HB VAL 26 HB VAL 26 -4.699 4.532 -2.432 176 1HG1 VAL 26 1HG1 VAL 26 -6.014 3.915 -5.100 177 2HG1 VAL 26 2HG1 VAL 26 -4.271 3.791 -4.760 178 3HG1 VAL 26 3HG1 VAL 26 -5.422 2.736 -3.905 179 1HG2 VAL 26 1HG2 VAL 26 -5.786 6.896 -3.355 180 2HG2 VAL 26 2HG2 VAL 26 -4.064 6.449 -3.415 181 3HG2 VAL 26 3HG2 VAL 26 -5.104 6.175 -4.833 182 H THR 27 H THR 27 -6.837 3.976 -0.141 183 HA THR 27 HA THR 27 -6.551 6.641 0.950 184 HB THR 27 HB THR 27 -8.684 6.763 1.962 185 HG1 THR 27 HG1 THR 27 -9.892 4.722 2.241 186 1HG2 THR 27 1HG2 THR 27 -9.141 5.096 -0.568 187 2HG2 THR 27 2HG2 THR 27 -10.430 5.931 0.332 188 3HG2 THR 27 3HG2 THR 27 -9.147 6.873 -0.465 189 HA PRO 28 HA PRO 28 -4.687 4.502 4.174 190 1HB PRO 28 1HB PRO 28 -5.394 5.843 6.447 191 2HB PRO 28 2HB PRO 28 -4.170 6.421 5.335 192 1HG PRO 28 1HG PRO 28 -6.937 7.391 5.713 193 2HG PRO 28 2HG PRO 28 -5.587 8.198 4.940 194 1HD PRO 28 1HD PRO 28 -7.798 6.919 3.634 195 2HD PRO 28 2HD PRO 28 -6.391 7.624 2.863 196 H LYS 29 H LYS 29 -7.050 3.252 3.273 197 HA LYS 29 HA LYS 29 -7.335 1.376 5.301 198 1HB LYS 29 1HB LYS 29 -8.579 3.470 6.263 199 2HB LYS 29 2HB LYS 29 -9.849 3.021 5.142 200 1HG LYS 29 1HG LYS 29 -8.997 0.604 6.436 201 2HG LYS 29 2HG LYS 29 -9.175 1.813 7.692 202 1HD LYS 29 1HD LYS 29 -11.376 1.833 5.695 203 2HD LYS 29 2HD LYS 29 -11.253 0.332 6.591 204 1HE LYS 29 1HE LYS 29 -11.988 1.293 8.531 205 2HE LYS 29 2HE LYS 29 -10.950 2.692 8.339 206 1HZ LYS 29 1HZ LYS 29 -13.090 2.598 6.458 207 2HZ LYS 29 2HZ LYS 29 -13.599 2.695 8.006 208 3HZ LYS 29 3HZ LYS 29 -12.590 3.831 7.406 209 H GLU 30 H GLU 30 -8.919 3.125 2.575 210 HA GLU 30 HA GLU 30 -10.248 0.790 1.701 211 1HB GLU 30 1HB GLU 30 -11.154 3.020 1.222 212 2HB GLU 30 2HB GLU 30 -9.708 3.463 0.337 213 1HG GLU 30 1HG GLU 30 -10.365 2.344 -1.551 214 2HG GLU 30 2HG GLU 30 -10.931 0.953 -0.648 215 H CYS 31 H CYS 31 -7.169 2.461 0.938 216 HA CYS 31 HA CYS 31 -6.630 0.843 -1.330 217 1HB CYS 31 1HB CYS 31 -5.545 2.848 -1.475 218 2HB CYS 31 2HB CYS 31 -5.179 2.917 0.237 219 H ASN 32 H ASN 32 -6.228 0.647 2.178 220 HA ASN 32 HA ASN 32 -4.345 -1.518 1.909 221 1HB ASN 32 1HB ASN 32 -5.601 -0.528 4.506 222 2HB ASN 32 2HB ASN 32 -4.061 -1.338 4.302 223 2HD2 ASN 32 2HD2 ASN 32 -2.407 -0.072 4.589 224 1HD2 ASN 32 1HD2 ASN 32 -2.264 1.598 4.152 225 H ASN 33 H ASN 33 -7.629 -1.123 1.594 226 HA ASN 33 HA ASN 33 -8.316 -3.477 3.138 227 1HB ASN 33 1HB ASN 33 -9.862 -1.632 3.468 228 2HB ASN 33 2HB ASN 33 -9.961 -1.312 1.748 229 2HD2 ASN 33 2HD2 ASN 33 -12.195 -1.479 1.789 230 1HD2 ASN 33 1HD2 ASN 33 -13.030 -2.993 1.886 231 H ARG 34 H ARG 34 -8.352 -2.017 -0.171 232 HA ARG 34 HA ARG 34 -9.664 -4.020 -1.477 233 1HB ARG 34 1HB ARG 34 -8.549 -1.645 -2.215 234 2HB ARG 34 2HB ARG 34 -7.334 -2.722 -2.874 235 1HG ARG 34 1HG ARG 34 -10.327 -2.949 -3.446 236 2HG ARG 34 2HG ARG 34 -9.177 -2.162 -4.508 237 1HD ARG 34 1HD ARG 34 -7.869 -4.476 -4.347 238 2HD ARG 34 2HD ARG 34 -9.421 -5.107 -3.836 239 HE ARG 34 HE ARG 34 -8.720 -4.147 -6.519 240 1HH1 ARG 34 1HH1 ARG 34 -11.356 -4.840 -4.292 241 2HH1 ARG 34 2HH1 ARG 34 -12.534 -5.036 -5.547 242 1HH2 ARG 34 1HH2 ARG 34 -10.274 -4.406 -8.174 243 2HH2 ARG 34 2HH2 ARG 34 -11.914 -4.788 -7.770 244 H GLY 35 H GLY 35 -6.342 -3.837 -0.244 245 1HA GLY 35 1HA GLY 35 -5.769 -6.472 -1.466 246 2HA GLY 35 2HA GLY 35 -5.389 -6.072 0.197 247 H CYS 36 H CYS 36 -3.889 -4.152 0.576 248 HA CYS 36 HA CYS 36 -1.515 -4.509 -0.681 249 1HB CYS 36 1HB CYS 36 -3.222 -3.157 -2.458 250 2HB CYS 36 2HB CYS 36 -2.147 -1.928 -1.824 251 H CYS 37 H CYS 37 -0.612 -1.696 -0.688 252 HA CYS 37 HA CYS 37 -1.200 -1.018 2.103 253 1HB CYS 37 1HB CYS 37 1.395 -1.276 0.665 254 2HB CYS 37 2HB CYS 37 1.240 0.037 1.816 255 H PHE 38 H PHE 38 -1.198 1.319 2.561 256 HA PHE 38 HA PHE 38 -1.567 2.905 0.116 257 1HB PHE 38 1HB PHE 38 -3.660 2.551 1.405 258 2HB PHE 38 2HB PHE 38 -2.849 2.939 2.909 259 HD1 PHE 38 HD1 PHE 38 -4.042 4.380 -0.281 260 HD2 PHE 38 HD2 PHE 38 -2.670 5.178 3.654 261 HE1 PHE 38 HE1 PHE 38 -4.737 6.779 -0.525 262 HE2 PHE 38 HE2 PHE 38 -3.365 7.577 3.410 263 HZ PHE 38 HZ PHE 38 -4.390 8.349 1.323 264 H ASP 39 H ASP 39 -1.375 5.401 0.715 265 HA ASP 39 HA ASP 39 0.228 6.144 2.828 266 1HB ASP 39 1HB ASP 39 2.035 4.895 1.748 267 2HB ASP 39 2HB ASP 39 1.693 5.642 0.200 268 H SER 40 H SER 40 0.492 8.494 2.787 269 HA SER 40 HA SER 40 -0.422 9.763 0.337 270 1HB SER 40 1HB SER 40 -1.906 11.250 1.559 271 2HB SER 40 2HB SER 40 -2.332 9.598 1.956 272 HG SER 40 HG SER 40 -1.853 11.483 3.696 273 H ARG 41 H ARG 41 2.170 9.273 2.073 274 HA ARG 41 HA ARG 41 2.936 11.638 3.202 275 1HB ARG 41 1HB ARG 41 4.082 9.186 2.922 276 2HB ARG 41 2HB ARG 41 5.006 10.040 1.703 277 1HG ARG 41 1HG ARG 41 5.161 11.870 3.720 278 2HG ARG 41 2HG ARG 41 4.982 10.415 4.680 279 1HD ARG 41 1HD ARG 41 6.997 10.483 2.410 280 2HD ARG 41 2HD ARG 41 7.400 11.207 3.953 281 HE ARG 41 HE ARG 41 6.316 8.495 4.201 282 1HH1 ARG 41 1HH1 ARG 41 9.233 10.401 3.707 283 2HH1 ARG 41 2HH1 ARG 41 10.295 9.159 4.282 284 1HH2 ARG 41 1HH2 ARG 41 7.716 6.857 4.959 285 2HH2 ARG 41 2HH2 ARG 41 9.426 7.130 4.999 286 H ILE 42 H ILE 42 3.542 10.393 -0.165 287 HA ILE 42 HA ILE 42 3.654 13.161 -1.065 288 HB ILE 42 HB ILE 42 5.641 12.015 -2.556 289 1HG1 ILE 42 1HG1 ILE 42 7.233 11.031 -0.930 290 2HG1 ILE 42 2HG1 ILE 42 5.981 11.042 0.296 291 1HG2 ILE 42 1HG2 ILE 42 5.407 14.006 -0.408 292 2HG2 ILE 42 2HG2 ILE 42 7.040 13.324 -0.600 293 3HG2 ILE 42 3HG2 ILE 42 6.230 14.097 -1.984 294 1HD1 ILE 42 1HD1 ILE 42 5.070 9.796 -2.219 295 2HD1 ILE 42 2HD1 ILE 42 6.473 8.969 -1.501 296 3HD1 ILE 42 3HD1 ILE 42 4.982 9.180 -0.551 297 HA PRO 43 HA PRO 43 1.180 11.343 -4.119 298 1HB PRO 43 1HB PRO 43 0.911 13.490 -5.787 299 2HB PRO 43 2HB PRO 43 -0.062 13.268 -4.347 300 1HG PRO 43 1HG PRO 43 2.197 15.123 -4.790 301 2HG PRO 43 2HG PRO 43 0.961 15.175 -3.548 302 1HD PRO 43 1HD PRO 43 3.677 14.307 -3.232 303 2HD PRO 43 2HD PRO 43 2.411 14.250 -2.022 304 H GLY 44 H GLY 44 4.072 13.062 -5.073 305 1HA GLY 44 1HA GLY 44 5.716 12.352 -6.467 306 2HA GLY 44 2HA GLY 44 4.418 12.398 -7.643 307 H VAL 45 H VAL 45 4.847 10.161 -4.827 308 HA VAL 45 HA VAL 45 5.449 7.997 -6.671 309 HB VAL 45 HB VAL 45 6.340 6.901 -4.888 310 1HG1 VAL 45 1HG1 VAL 45 7.179 9.407 -5.150 311 2HG1 VAL 45 2HG1 VAL 45 6.540 9.544 -3.494 312 3HG1 VAL 45 3HG1 VAL 45 7.803 8.345 -3.865 313 1HG2 VAL 45 1HG2 VAL 45 4.240 8.278 -3.211 314 2HG2 VAL 45 2HG2 VAL 45 4.496 6.538 -3.485 315 3HG2 VAL 45 3HG2 VAL 45 5.632 7.455 -2.466 316 HA PRO 46 HA PRO 46 1.536 6.174 -6.394 317 1HB PRO 46 1HB PRO 46 1.990 3.503 -6.038 318 2HB PRO 46 2HB PRO 46 2.159 4.306 -7.586 319 1HG PRO 46 1HG PRO 46 4.272 3.370 -5.743 320 2HG PRO 46 2HG PRO 46 4.399 3.775 -7.443 321 1HD PRO 46 1HD PRO 46 5.254 5.384 -5.227 322 2HD PRO 46 2HD PRO 46 5.274 5.836 -6.920 323 H TRP 47 H TRP 47 0.591 7.245 -4.661 324 HA TRP 47 HA TRP 47 0.973 6.940 -2.075 325 1HB TRP 47 1HB TRP 47 -1.497 7.254 -3.698 326 2HB TRP 47 2HB TRP 47 -1.704 6.870 -2.001 327 HD1 TRP 47 HD1 TRP 47 1.215 9.149 -3.063 328 HE1 TRP 47 HE1 TRP 47 0.883 11.610 -2.169 329 HE3 TRP 47 HE3 TRP 47 -3.521 8.449 -1.348 330 HZ2 TRP 47 HZ2 TRP 47 -1.274 12.957 -0.874 331 HZ3 TRP 47 HZ3 TRP 47 -4.669 10.388 -0.282 332 HH2 TRP 47 HH2 TRP 47 -3.621 12.583 -0.032 333 H CYS 48 H CYS 48 -1.015 4.642 -4.077 334 HA CYS 48 HA CYS 48 -0.933 2.760 -1.872 335 1HB CYS 48 1HB CYS 48 -3.023 3.348 -3.263 336 2HB CYS 48 2HB CYS 48 -2.319 2.342 -4.512 337 H PHE 49 H PHE 49 0.883 1.478 -1.787 338 HA PHE 49 HA PHE 49 1.860 0.428 -4.343 339 1HB PHE 49 1HB PHE 49 4.166 0.605 -3.116 340 2HB PHE 49 2HB PHE 49 3.468 2.114 -3.671 341 HD1 PHE 49 HD1 PHE 49 3.603 -0.067 -0.650 342 HD2 PHE 49 HD2 PHE 49 3.242 3.875 -2.179 343 HE1 PHE 49 HE1 PHE 49 3.732 0.850 1.683 344 HE2 PHE 49 HE2 PHE 49 3.370 4.792 0.154 345 HZ PHE 49 HZ PHE 49 3.613 3.268 2.057 346 H LYS 50 H LYS 50 3.206 -1.601 -4.048 347 HA LYS 50 HA LYS 50 1.782 -3.413 -2.436 348 1HB LYS 50 1HB LYS 50 4.458 -3.805 -3.806 349 2HB LYS 50 2HB LYS 50 3.356 -5.059 -3.274 350 1HG LYS 50 1HG LYS 50 1.588 -3.950 -4.818 351 2HG LYS 50 2HG LYS 50 2.910 -3.020 -5.493 352 1HD LYS 50 1HD LYS 50 2.927 -4.841 -6.943 353 2HD LYS 50 2HD LYS 50 4.075 -5.404 -5.745 354 1HE LYS 50 1HE LYS 50 2.527 -6.895 -4.755 355 2HE LYS 50 2HE LYS 50 1.135 -6.010 -5.349 356 1HZ LYS 50 1HZ LYS 50 1.755 -6.714 -7.586 357 2HZ LYS 50 2HZ LYS 50 2.987 -7.600 -6.983 358 3HZ LYS 50 3HZ LYS 50 1.445 -7.987 -6.611 359 HA PRO 51 HA PRO 51 4.046 -3.392 1.240 360 1HB PRO 51 1HB PRO 51 4.199 -6.020 1.974 361 2HB PRO 51 2HB PRO 51 2.758 -5.048 2.190 362 1HG PRO 51 1HG PRO 51 3.294 -7.145 0.176 363 2HG PRO 51 2HG PRO 51 1.756 -6.474 0.679 364 1HD PRO 51 1HD PRO 51 3.179 -5.879 -1.739 365 2HD PRO 51 2HD PRO 51 1.699 -5.124 -1.181 366 H LEU 52 H LEU 52 6.061 -2.757 1.636 367 HA LEU 52 HA LEU 52 8.148 -3.182 0.061 368 1HB LEU 52 1HB LEU 52 8.302 -1.696 1.885 369 2HB LEU 52 2HB LEU 52 8.031 -2.967 3.060 370 HG LEU 52 HG LEU 52 10.493 -2.778 1.305 371 1HD1 LEU 52 1HD1 LEU 52 9.860 -1.583 3.973 372 2HD1 LEU 52 2HD1 LEU 52 11.507 -2.184 3.665 373 3HD1 LEU 52 3HD1 LEU 52 10.808 -0.927 2.616 374 1HD2 LEU 52 1HD2 LEU 52 9.466 -4.807 3.123 375 2HD2 LEU 52 2HD2 LEU 52 10.801 -4.886 1.948 376 3HD2 LEU 52 3HD2 LEU 52 11.092 -4.246 3.584 377 H GLN 53 H GLN 53 9.429 -4.821 -0.645 378 HA GLN 53 HA GLN 53 8.727 -7.433 0.046 379 1HB GLN 53 1HB GLN 53 10.956 -7.911 -1.280 380 2HB GLN 53 2HB GLN 53 9.567 -7.254 -2.122 381 1HG GLN 53 1HG GLN 53 11.732 -6.058 -2.647 382 2HG GLN 53 2HG GLN 53 10.471 -5.000 -2.045 383 2HE2 GLN 53 2HE2 GLN 53 10.878 -3.741 -0.382 384 1HE2 GLN 53 1HE2 GLN 53 12.230 -3.848 0.696 385 H GLU 54 H GLU 54 9.052 -6.717 2.515 386 HA GLU 54 HA GLU 54 11.359 -6.333 3.728 387 1HB GLU 54 1HB GLU 54 10.380 -7.204 5.679 388 2HB GLU 54 2HB GLU 54 8.984 -6.834 4.687 389 1HG GLU 54 1HG GLU 54 9.115 -9.282 3.844 390 2HG GLU 54 2HG GLU 54 10.263 -9.562 5.139 391 H ALA 55 H ALA 55 13.368 -7.230 3.623 392 HA ALA 55 HA ALA 55 13.638 -10.091 3.700 393 1HB ALA 55 1HB ALA 55 13.547 -10.193 1.407 394 2HB ALA 55 2HB ALA 55 15.258 -9.736 1.579 395 3HB ALA 55 3HB ALA 55 14.039 -8.495 1.202 396 H GLU 56 H GLU 56 14.841 -9.942 5.580 397 HA GLU 56 HA GLU 56 16.630 -9.688 6.790 398 1HB GLU 56 1HB GLU 56 17.742 -9.962 4.349 399 2HB GLU 56 2HB GLU 56 18.256 -8.317 4.666 400 1HG GLU 56 1HG GLU 56 20.009 -9.321 5.748 401 2HG GLU 56 2HG GLU 56 18.875 -9.464 7.076 402 H CYS 57 H CYS 57 16.546 -6.832 4.528 403 HA CYS 57 HA CYS 57 15.749 -5.117 6.639 404 1HB CYS 57 1HB CYS 57 18.468 -5.564 6.586 405 2HB CYS 57 2HB CYS 57 18.308 -4.109 5.621 406 H THR 58 H THR 58 17.705 -5.093 3.559 407 HA THR 58 HA THR 58 15.578 -4.175 1.974 408 HB THR 58 HB THR 58 15.788 -2.083 3.250 409 HG1 THR 58 HG1 THR 58 15.881 -0.991 1.304 410 1HG2 THR 58 1HG2 THR 58 18.377 -2.638 3.744 411 2HG2 THR 58 2HG2 THR 58 18.615 -1.706 2.246 412 3HG2 THR 58 3HG2 THR 58 17.809 -0.953 3.644 413 H PHE 59 H PHE 59 19.146 -4.098 2.511 414 HA PHE 59 HA PHE 59 19.631 -5.740 0.315 415 1HB PHE 59 1HB PHE 59 18.881 -3.544 -0.816 416 2HB PHE 59 2HB PHE 59 20.234 -2.743 -0.043 417 HD1 PHE 59 HD1 PHE 59 22.591 -3.814 -0.526 418 HD2 PHE 59 HD2 PHE 59 19.157 -4.394 -2.951 419 HE1 PHE 59 HE1 PHE 59 24.063 -4.431 -2.463 420 HE2 PHE 59 HE2 PHE 59 20.629 -5.011 -4.888 421 HZ PHE 59 HZ PHE 59 23.064 -5.022 -4.621 No H/Q in entry = 421 Start of MODEL 15 1 H GLU 1 H GLU 1 3.816 -14.600 19.565 2 HA GLU 1 HA GLU 1 5.483 -14.684 20.984 3 1HB GLU 1 1HB GLU 1 6.655 -16.330 18.796 4 2HB GLU 1 2HB GLU 1 7.830 -15.568 19.849 5 1HG GLU 1 1HG GLU 1 5.491 -16.890 21.192 6 2HG GLU 1 2HG GLU 1 6.653 -17.954 20.424 7 H GLU 2 H GLU 2 6.380 -13.693 17.630 8 HA GLU 2 HA GLU 2 6.887 -11.082 18.452 9 1HB GLU 2 1HB GLU 2 9.003 -12.544 19.207 10 2HB GLU 2 2HB GLU 2 9.460 -12.348 17.526 11 1HG GLU 2 1HG GLU 2 8.521 -9.845 18.842 12 2HG GLU 2 2HG GLU 2 9.992 -10.511 19.524 13 H TYR 3 H TYR 3 5.667 -10.411 16.689 14 HA TYR 3 HA TYR 3 6.937 -10.750 14.098 15 1HB TYR 3 1HB TYR 3 5.046 -12.548 14.779 16 2HB TYR 3 2HB TYR 3 3.940 -11.215 14.515 17 HD1 TYR 3 HD1 TYR 3 6.932 -12.593 12.696 18 HD2 TYR 3 HD2 TYR 3 2.852 -11.325 12.478 19 HE1 TYR 3 HE1 TYR 3 6.897 -13.109 10.206 20 HE2 TYR 3 HE2 TYR 3 2.830 -11.845 9.990 21 HH TYR 3 HH TYR 3 4.523 -13.706 8.526 22 H VAL 4 H VAL 4 6.634 -8.979 12.749 23 HA VAL 4 HA VAL 4 4.485 -7.174 13.116 24 HB VAL 4 HB VAL 4 5.711 -6.523 15.082 25 1HG1 VAL 4 1HG1 VAL 4 7.960 -7.370 13.920 26 2HG1 VAL 4 2HG1 VAL 4 8.118 -5.636 13.550 27 3HG1 VAL 4 3HG1 VAL 4 7.967 -6.176 15.239 28 1HG2 VAL 4 1HG2 VAL 4 4.761 -4.813 13.276 29 2HG2 VAL 4 2HG2 VAL 4 5.601 -4.257 14.744 30 3HG2 VAL 4 3HG2 VAL 4 6.472 -4.331 13.193 31 H GLY 5 H GLY 5 4.368 -7.823 10.856 32 1HA GLY 5 1HA GLY 5 5.727 -8.000 8.784 33 2HA GLY 5 2HA GLY 5 6.395 -6.436 9.205 34 H LEU 6 H LEU 6 3.206 -6.450 10.316 35 HA LEU 6 HA LEU 6 2.242 -5.347 7.769 36 1HB LEU 6 1HB LEU 6 0.174 -6.052 9.673 37 2HB LEU 6 2HB LEU 6 0.346 -6.471 7.980 38 HG LEU 6 HG LEU 6 0.273 -8.510 9.162 39 1HD1 LEU 6 1HD1 LEU 6 2.504 -7.798 7.639 40 2HD1 LEU 6 2HD1 LEU 6 3.164 -8.678 9.039 41 3HD1 LEU 6 3HD1 LEU 6 1.928 -9.441 8.010 42 1HD2 LEU 6 1HD2 LEU 6 1.451 -7.035 11.274 43 2HD2 LEU 6 2HD2 LEU 6 0.814 -8.697 11.303 44 3HD2 LEU 6 3HD2 LEU 6 2.529 -8.408 10.925 45 H SER 7 H SER 7 0.693 -3.506 7.986 46 HA SER 7 HA SER 7 0.206 -1.510 8.683 47 1HB SER 7 1HB SER 7 -0.409 -1.156 10.957 48 2HB SER 7 2HB SER 7 -0.688 -2.862 10.671 49 HG SER 7 HG SER 7 1.247 -1.591 12.301 50 H ALA 8 H ALA 8 1.794 -0.133 7.899 51 HA ALA 8 HA ALA 8 3.425 1.386 8.130 52 1HB ALA 8 1HB ALA 8 4.333 1.895 10.183 53 2HB ALA 8 2HB ALA 8 4.566 0.187 10.626 54 3HB ALA 8 3HB ALA 8 2.948 0.920 10.729 55 H ASN 9 H ASN 9 4.704 -1.673 9.635 56 HA ASN 9 HA ASN 9 7.130 -1.642 8.512 57 1HB ASN 9 1HB ASN 9 5.379 -4.142 8.783 58 2HB ASN 9 2HB ASN 9 7.131 -4.116 8.769 59 2HD2 ASN 9 2HD2 ASN 9 4.233 -3.300 10.537 60 1HD2 ASN 9 1HD2 ASN 9 4.947 -3.085 12.100 61 H GLN 10 H GLN 10 4.384 -3.680 7.227 62 HA GLN 10 HA GLN 10 5.477 -4.364 4.875 63 1HB GLN 10 1HB GLN 10 3.019 -4.396 4.031 64 2HB GLN 10 2HB GLN 10 3.422 -5.381 5.423 65 1HG GLN 10 1HG GLN 10 2.604 -3.567 6.943 66 2HG GLN 10 2HG GLN 10 2.200 -2.583 5.550 67 2HE2 GLN 10 2HE2 GLN 10 1.134 -4.336 3.793 68 1HE2 GLN 10 1HE2 GLN 10 -0.332 -5.033 4.397 69 H CYS 11 H CYS 11 3.778 -1.294 5.685 70 HA CYS 11 HA CYS 11 4.394 -0.337 2.997 71 1HB CYS 11 1HB CYS 11 2.770 1.299 4.872 72 2HB CYS 11 2HB CYS 11 2.642 1.111 3.135 73 H ALA 12 H ALA 12 6.600 -0.720 4.699 74 HA ALA 12 HA ALA 12 7.132 1.920 5.841 75 1HB ALA 12 1HB ALA 12 8.949 0.806 7.018 76 2HB ALA 12 2HB ALA 12 8.692 -0.683 6.078 77 3HB ALA 12 3HB ALA 12 7.454 -0.137 7.234 78 H VAL 13 H VAL 13 6.933 1.707 2.986 79 HA VAL 13 HA VAL 13 9.693 1.582 2.079 80 HB VAL 13 HB VAL 13 7.598 2.357 0.181 81 1HG1 VAL 13 1HG1 VAL 13 10.054 0.796 0.294 82 2HG1 VAL 13 2HG1 VAL 13 8.767 -0.061 -0.588 83 3HG1 VAL 13 3HG1 VAL 13 9.258 1.573 -1.096 84 1HG2 VAL 13 1HG2 VAL 13 7.312 -0.147 1.836 85 2HG2 VAL 13 2HG2 VAL 13 6.070 1.028 1.342 86 3HG2 VAL 13 3HG2 VAL 13 6.754 -0.098 0.146 87 HA PRO 14 HA PRO 14 10.147 5.879 2.129 88 1HB PRO 14 1HB PRO 14 12.096 6.240 0.248 89 2HB PRO 14 2HB PRO 14 12.431 5.716 1.886 90 1HG PRO 14 1HG PRO 14 12.432 4.124 -0.605 91 2HG PRO 14 2HG PRO 14 13.160 3.742 0.942 92 1HD PRO 14 1HD PRO 14 10.730 2.656 -0.127 93 2HD PRO 14 2HD PRO 14 11.397 2.363 1.467 94 H ALA 15 H ALA 15 10.207 4.768 -1.231 95 HA ALA 15 HA ALA 15 7.887 5.674 -2.112 96 1HB ALA 15 1HB ALA 15 9.695 8.007 -1.543 97 2HB ALA 15 2HB ALA 15 7.930 7.866 -1.364 98 3HB ALA 15 3HB ALA 15 8.646 8.069 -2.980 99 H LYS 16 H LYS 16 11.355 5.372 -2.466 100 HA LYS 16 HA LYS 16 11.137 5.354 -5.371 101 1HB LYS 16 1HB LYS 16 13.555 5.336 -5.366 102 2HB LYS 16 2HB LYS 16 12.971 6.620 -4.326 103 1HG LYS 16 1HG LYS 16 14.527 5.697 -2.883 104 2HG LYS 16 2HG LYS 16 13.151 4.704 -2.444 105 1HD LYS 16 1HD LYS 16 14.236 2.837 -3.129 106 2HD LYS 16 2HD LYS 16 14.401 3.494 -4.745 107 1HE LYS 16 1HE LYS 16 16.506 4.556 -4.211 108 2HE LYS 16 2HE LYS 16 16.277 4.319 -2.490 109 1HZ LYS 16 1HZ LYS 16 16.122 1.849 -3.759 110 2HZ LYS 16 2HZ LYS 16 17.473 2.599 -4.285 111 3HZ LYS 16 3HZ LYS 16 17.238 2.367 -2.685 112 H ASP 17 H ASP 17 10.360 3.279 -2.954 113 HA ASP 17 HA ASP 17 11.384 1.006 -4.468 114 1HB ASP 17 1HB ASP 17 11.342 1.605 -1.597 115 2HB ASP 17 2HB ASP 17 10.502 0.102 -1.925 116 H ARG 18 H ARG 18 8.785 2.879 -4.344 117 HA ARG 18 HA ARG 18 6.764 1.084 -3.535 118 1HB ARG 18 1HB ARG 18 6.386 3.517 -5.334 119 2HB ARG 18 2HB ARG 18 5.222 2.819 -4.226 120 1HG ARG 18 1HG ARG 18 7.844 4.158 -3.406 121 2HG ARG 18 2HG ARG 18 6.261 4.904 -3.314 122 1HD ARG 18 1HD ARG 18 5.555 2.927 -1.806 123 2HD ARG 18 2HD ARG 18 7.249 2.481 -1.744 124 HE ARG 18 HE ARG 18 7.566 4.193 -0.200 125 1HH1 ARG 18 1HH1 ARG 18 4.784 5.004 -2.196 126 2HH1 ARG 18 2HH1 ARG 18 4.426 6.461 -1.330 127 1HH2 ARG 18 1HH2 ARG 18 7.094 6.115 0.943 128 2HH2 ARG 18 2HH2 ARG 18 5.748 7.097 0.468 129 H VAL 19 H VAL 19 6.028 -0.642 -4.733 130 HA VAL 19 HA VAL 19 6.788 -0.832 -7.502 131 HB VAL 19 HB VAL 19 5.010 -2.759 -6.047 132 1HG1 VAL 19 1HG1 VAL 19 6.163 -2.750 -8.557 133 2HG1 VAL 19 2HG1 VAL 19 7.288 -3.753 -7.610 134 3HG1 VAL 19 3HG1 VAL 19 5.563 -4.185 -7.691 135 1HG2 VAL 19 1HG2 VAL 19 7.782 -2.015 -5.315 136 2HG2 VAL 19 2HG2 VAL 19 6.508 -2.801 -4.352 137 3HG2 VAL 19 3HG2 VAL 19 7.478 -3.760 -5.495 138 H ASP 20 H ASP 20 4.268 0.633 -5.759 139 HA ASP 20 HA ASP 20 2.350 1.477 -6.310 140 1HB ASP 20 1HB ASP 20 3.638 2.335 -8.294 141 2HB ASP 20 2HB ASP 20 3.180 0.903 -9.195 142 H CYS 21 H CYS 21 0.487 0.296 -5.852 143 HA CYS 21 HA CYS 21 0.210 -2.335 -6.977 144 1HB CYS 21 1HB CYS 21 -0.429 -1.271 -4.557 145 2HB CYS 21 2HB CYS 21 -1.986 -1.203 -5.357 146 H GLY 22 H GLY 22 -0.877 0.971 -7.502 147 1HA GLY 22 1HA GLY 22 -2.148 0.305 -9.953 148 2HA GLY 22 2HA GLY 22 -2.099 1.871 -9.169 149 H TYR 23 H TYR 23 -3.775 2.507 -7.695 150 HA TYR 23 HA TYR 23 -6.188 0.873 -7.991 151 1HB TYR 23 1HB TYR 23 -4.665 1.840 -5.547 152 2HB TYR 23 2HB TYR 23 -6.413 1.913 -5.449 153 HD1 TYR 23 HD1 TYR 23 -7.683 -0.318 -6.093 154 HD2 TYR 23 HD2 TYR 23 -3.571 -0.125 -4.928 155 HE1 TYR 23 HE1 TYR 23 -7.743 -2.777 -5.449 156 HE2 TYR 23 HE2 TYR 23 -3.644 -2.584 -4.287 157 HH TYR 23 HH TYR 23 -5.130 -4.611 -5.102 158 HA PRO 24 HA PRO 24 -7.960 4.742 -8.786 159 1HB PRO 24 1HB PRO 24 -10.610 4.169 -8.439 160 2HB PRO 24 2HB PRO 24 -9.728 3.779 -9.903 161 1HG PRO 24 1HG PRO 24 -10.608 1.975 -7.732 162 2HG PRO 24 2HG PRO 24 -10.119 1.570 -9.366 163 1HD PRO 24 1HD PRO 24 -8.561 1.251 -6.979 164 2HD PRO 24 2HD PRO 24 -8.032 0.955 -8.623 165 H HIS 25 H HIS 25 -10.070 3.505 -6.246 166 HA HIS 25 HA HIS 25 -9.733 6.059 -4.923 167 1HB HIS 25 1HB HIS 25 -11.670 5.508 -3.678 168 2HB HIS 25 2HB HIS 25 -11.987 5.048 -5.339 169 HD1 HIS 25 HD1 HIS 25 -13.528 3.796 -2.911 170 HD2 HIS 25 HD2 HIS 25 -10.202 2.069 -4.795 171 HE1 HIS 25 HE1 HIS 25 -13.652 1.293 -2.428 172 HE2 HIS 25 HE2 HIS 25 -11.613 0.279 -3.657 173 H VAL 26 H VAL 26 -7.544 5.851 -4.183 174 HA VAL 26 HA VAL 26 -7.063 3.662 -2.315 175 HB VAL 26 HB VAL 26 -4.723 4.466 -2.428 176 1HG1 VAL 26 1HG1 VAL 26 -6.069 3.819 -5.071 177 2HG1 VAL 26 2HG1 VAL 26 -4.315 3.741 -4.780 178 3HG1 VAL 26 3HG1 VAL 26 -5.415 2.664 -3.886 179 1HG2 VAL 26 1HG2 VAL 26 -5.912 6.788 -3.532 180 2HG2 VAL 26 2HG2 VAL 26 -4.184 6.464 -3.255 181 3HG2 VAL 26 3HG2 VAL 26 -4.927 6.056 -4.820 182 H THR 27 H THR 27 -6.717 3.982 -0.116 183 HA THR 27 HA THR 27 -6.514 6.674 0.907 184 HB THR 27 HB THR 27 -8.626 6.762 1.966 185 HG1 THR 27 HG1 THR 27 -9.796 4.663 2.234 186 1HG2 THR 27 1HG2 THR 27 -9.110 5.023 -0.511 187 2HG2 THR 27 2HG2 THR 27 -10.384 5.881 0.390 188 3HG2 THR 27 3HG2 THR 27 -9.124 6.802 -0.466 189 HA PRO 28 HA PRO 28 -4.512 4.660 4.126 190 1HB PRO 28 1HB PRO 28 -5.169 6.065 6.376 191 2HB PRO 28 2HB PRO 28 -3.987 6.623 5.208 192 1HG PRO 28 1HG PRO 28 -6.755 7.567 5.639 193 2HG PRO 28 2HG PRO 28 -5.441 8.366 4.799 194 1HD PRO 28 1HD PRO 28 -7.672 7.017 3.604 195 2HD PRO 28 2HD PRO 28 -6.298 7.714 2.768 196 H LYS 29 H LYS 29 -6.846 3.320 3.337 197 HA LYS 29 HA LYS 29 -7.054 1.519 5.431 198 1HB LYS 29 1HB LYS 29 -8.320 3.653 6.329 199 2HB LYS 29 2HB LYS 29 -9.619 3.072 5.306 200 1HG LYS 29 1HG LYS 29 -8.283 1.018 7.037 201 2HG LYS 29 2HG LYS 29 -9.243 2.224 7.871 202 1HD LYS 29 1HD LYS 29 -11.142 1.694 6.214 203 2HD LYS 29 2HD LYS 29 -10.180 0.336 5.666 204 1HE LYS 29 1HE LYS 29 -10.148 0.099 8.480 205 2HE LYS 29 2HE LYS 29 -11.785 0.610 8.117 206 1HZ LYS 29 1HZ LYS 29 -11.318 -1.239 6.242 207 2HZ LYS 29 2HZ LYS 29 -10.494 -1.855 7.510 208 3HZ LYS 29 3HZ LYS 29 -12.086 -1.522 7.655 209 H GLU 30 H GLU 30 -8.795 3.157 2.726 210 HA GLU 30 HA GLU 30 -10.103 0.781 1.963 211 1HB GLU 30 1HB GLU 30 -10.998 3.035 1.452 212 2HB GLU 30 2HB GLU 30 -9.615 3.374 0.430 213 1HG GLU 30 1HG GLU 30 -10.597 2.334 -1.328 214 2HG GLU 30 2HG GLU 30 -10.762 0.852 -0.408 215 H CYS 31 H CYS 31 -7.118 2.515 0.936 216 HA CYS 31 HA CYS 31 -6.611 0.853 -1.270 217 1HB CYS 31 1HB CYS 31 -5.482 2.828 -1.428 218 2HB CYS 31 2HB CYS 31 -5.103 2.894 0.282 219 H ASN 32 H ASN 32 -5.830 0.782 2.233 220 HA ASN 32 HA ASN 32 -4.091 -1.450 1.912 221 1HB ASN 32 1HB ASN 32 -3.397 -0.756 3.974 222 2HB ASN 32 2HB ASN 32 -4.615 0.503 3.926 223 2HD2 ASN 32 2HD2 ASN 32 -6.893 -0.271 4.420 224 1HD2 ASN 32 1HD2 ASN 32 -7.093 -1.329 5.777 225 H ASN 33 H ASN 33 -7.433 -0.982 1.819 226 HA ASN 33 HA ASN 33 -8.048 -3.409 3.264 227 1HB ASN 33 1HB ASN 33 -9.570 -1.569 3.719 228 2HB ASN 33 2HB ASN 33 -9.746 -1.198 2.016 229 2HD2 ASN 33 2HD2 ASN 33 -12.038 -1.339 2.786 230 1HD2 ASN 33 1HD2 ASN 33 -12.850 -2.863 2.655 231 H ARG 34 H ARG 34 -8.123 -1.860 0.008 232 HA ARG 34 HA ARG 34 -9.538 -3.783 -1.322 233 1HB ARG 34 1HB ARG 34 -8.370 -1.417 -2.017 234 2HB ARG 34 2HB ARG 34 -7.211 -2.511 -2.745 235 1HG ARG 34 1HG ARG 34 -9.061 -1.857 -4.318 236 2HG ARG 34 2HG ARG 34 -8.950 -3.589 -4.079 237 1HD ARG 34 1HD ARG 34 -10.739 -2.190 -2.143 238 2HD ARG 34 2HD ARG 34 -11.276 -2.120 -3.810 239 HE ARG 34 HE ARG 34 -10.658 -4.769 -3.571 240 1HH1 ARG 34 1HH1 ARG 34 -12.524 -2.621 -1.500 241 2HH1 ARG 34 2HH1 ARG 34 -13.551 -3.881 -0.902 242 1HH2 ARG 34 1HH2 ARG 34 -12.013 -6.432 -2.783 243 2HH2 ARG 34 2HH2 ARG 34 -13.258 -6.063 -1.636 244 H GLY 35 H GLY 35 -6.244 -3.791 -0.069 245 1HA GLY 35 1HA GLY 35 -5.756 -6.382 -1.415 246 2HA GLY 35 2HA GLY 35 -5.327 -6.038 0.249 247 H CYS 36 H CYS 36 -3.811 -4.080 0.602 248 HA CYS 36 HA CYS 36 -1.447 -4.504 -0.660 249 1HB CYS 36 1HB CYS 36 -3.127 -3.182 -2.462 250 2HB CYS 36 2HB CYS 36 -2.082 -1.924 -1.832 251 H CYS 37 H CYS 37 -0.535 -1.675 -0.726 252 HA CYS 37 HA CYS 37 -1.062 -0.977 2.072 253 1HB CYS 37 1HB CYS 37 1.493 -1.285 0.591 254 2HB CYS 37 2HB CYS 37 1.380 0.088 1.675 255 H PHE 38 H PHE 38 -1.061 1.362 2.512 256 HA PHE 38 HA PHE 38 -1.498 2.926 0.065 257 1HB PHE 38 1HB PHE 38 -3.547 2.585 1.424 258 2HB PHE 38 2HB PHE 38 -2.688 2.989 2.897 259 HD1 PHE 38 HD1 PHE 38 -4.048 4.381 -0.238 260 HD2 PHE 38 HD2 PHE 38 -2.423 5.251 3.584 261 HE1 PHE 38 HE1 PHE 38 -4.752 6.777 -0.485 262 HE2 PHE 38 HE2 PHE 38 -3.127 7.648 3.337 263 HZ PHE 38 HZ PHE 38 -4.283 8.382 1.306 264 H ASP 39 H ASP 39 -1.293 5.431 0.641 265 HA ASP 39 HA ASP 39 0.362 6.209 2.691 266 1HB ASP 39 1HB ASP 39 2.138 4.916 1.598 267 2HB ASP 39 2HB ASP 39 1.783 5.653 0.048 268 H SER 40 H SER 40 0.530 8.544 2.636 269 HA SER 40 HA SER 40 -0.316 9.780 0.146 270 1HB SER 40 1HB SER 40 -1.829 11.297 1.366 271 2HB SER 40 2HB SER 40 -2.311 9.629 1.598 272 HG SER 40 HG SER 40 -1.865 11.396 3.505 273 H ARG 41 H ARG 41 2.229 9.354 1.933 274 HA ARG 41 HA ARG 41 2.887 11.761 3.080 275 1HB ARG 41 1HB ARG 41 4.080 9.322 2.934 276 2HB ARG 41 2HB ARG 41 5.053 10.153 1.736 277 1HG ARG 41 1HG ARG 41 5.619 11.923 3.381 278 2HG ARG 41 2HG ARG 41 4.583 11.172 4.578 279 1HD ARG 41 1HD ARG 41 6.019 9.066 4.390 280 2HD ARG 41 2HD ARG 41 7.110 9.967 3.355 281 HE ARG 41 HE ARG 41 6.754 11.544 5.671 282 1HH1 ARG 41 1HH1 ARG 41 8.039 8.367 4.874 283 2HH1 ARG 41 2HH1 ARG 41 9.165 8.351 6.191 284 1HH2 ARG 41 1HH2 ARG 41 8.239 11.525 7.407 285 2HH2 ARG 41 2HH2 ARG 41 9.279 10.160 7.641 286 H ILE 42 H ILE 42 3.286 10.515 -0.280 287 HA ILE 42 HA ILE 42 3.544 13.229 -1.217 288 HB ILE 42 HB ILE 42 5.593 12.135 -2.626 289 1HG1 ILE 42 1HG1 ILE 42 7.148 11.126 -0.983 290 2HG1 ILE 42 2HG1 ILE 42 5.869 11.104 0.214 291 1HG2 ILE 42 1HG2 ILE 42 5.408 14.390 -1.575 292 2HG2 ILE 42 2HG2 ILE 42 5.909 13.662 -0.030 293 3HG2 ILE 42 3HG2 ILE 42 7.016 13.643 -1.423 294 1HD1 ILE 42 1HD1 ILE 42 5.245 9.862 -2.449 295 2HD1 ILE 42 2HD1 ILE 42 6.372 8.990 -1.382 296 3HD1 ILE 42 3HD1 ILE 42 4.727 9.372 -0.818 297 HA PRO 43 HA PRO 43 1.182 11.275 -4.279 298 1HB PRO 43 1HB PRO 43 0.850 13.398 -5.967 299 2HB PRO 43 2HB PRO 43 -0.138 13.143 -4.543 300 1HG PRO 43 1HG PRO 43 2.045 15.092 -4.958 301 2HG PRO 43 2HG PRO 43 0.787 15.097 -3.739 302 1HD PRO 43 1HD PRO 43 3.531 14.351 -3.369 303 2HD PRO 43 2HD PRO 43 2.247 14.246 -2.181 304 H GLY 44 H GLY 44 4.060 13.049 -5.130 305 1HA GLY 44 1HA GLY 44 5.744 12.414 -6.503 306 2HA GLY 44 2HA GLY 44 4.475 12.416 -7.711 307 H VAL 45 H VAL 45 4.591 10.169 -4.914 308 HA VAL 45 HA VAL 45 5.395 8.025 -6.737 309 HB VAL 45 HB VAL 45 6.258 6.921 -4.931 310 1HG1 VAL 45 1HG1 VAL 45 6.642 9.820 -4.849 311 2HG1 VAL 45 2HG1 VAL 45 6.945 9.044 -3.275 312 3HG1 VAL 45 3HG1 VAL 45 7.832 8.502 -4.720 313 1HG2 VAL 45 1HG2 VAL 45 4.194 8.378 -3.280 314 2HG2 VAL 45 2HG2 VAL 45 4.429 6.628 -3.498 315 3HG2 VAL 45 3HG2 VAL 45 5.581 7.565 -2.517 316 HA PRO 46 HA PRO 46 1.511 6.139 -6.481 317 1HB PRO 46 1HB PRO 46 2.009 3.476 -6.127 318 2HB PRO 46 2HB PRO 46 2.171 4.284 -7.674 319 1HG PRO 46 1HG PRO 46 4.292 3.381 -5.823 320 2HG PRO 46 2HG PRO 46 4.419 3.791 -7.522 321 1HD PRO 46 1HD PRO 46 5.237 5.410 -5.300 322 2HD PRO 46 2HD PRO 46 5.257 5.865 -6.992 323 H TRP 47 H TRP 47 0.614 7.239 -4.717 324 HA TRP 47 HA TRP 47 0.974 6.911 -2.143 325 1HB TRP 47 1HB TRP 47 -1.515 7.188 -3.754 326 2HB TRP 47 2HB TRP 47 -1.689 6.843 -2.044 327 HD1 TRP 47 HD1 TRP 47 1.201 9.112 -3.195 328 HE1 TRP 47 HE1 TRP 47 0.865 11.592 -2.359 329 HE3 TRP 47 HE3 TRP 47 -3.515 8.431 -1.419 330 HZ2 TRP 47 HZ2 TRP 47 -1.287 12.961 -1.078 331 HZ3 TRP 47 HZ3 TRP 47 -4.663 10.391 -0.391 332 HH2 TRP 47 HH2 TRP 47 -3.625 12.596 -0.205 333 H CYS 48 H CYS 48 -1.087 4.635 -4.103 334 HA CYS 48 HA CYS 48 -0.942 2.734 -1.923 335 1HB CYS 48 1HB CYS 48 -3.058 3.334 -3.269 336 2HB CYS 48 2HB CYS 48 -2.382 2.332 -4.537 337 H PHE 49 H PHE 49 0.903 1.487 -1.884 338 HA PHE 49 HA PHE 49 1.810 0.427 -4.463 339 1HB PHE 49 1HB PHE 49 4.147 0.616 -3.297 340 2HB PHE 49 2HB PHE 49 3.428 2.121 -3.833 341 HD1 PHE 49 HD1 PHE 49 3.589 -0.062 -0.811 342 HD2 PHE 49 HD2 PHE 49 3.297 3.885 -2.342 343 HE1 PHE 49 HE1 PHE 49 3.775 0.856 1.518 344 HE2 PHE 49 HE2 PHE 49 3.483 4.802 -0.013 345 HZ PHE 49 HZ PHE 49 3.720 3.277 1.889 346 H LYS 50 H LYS 50 3.265 -1.563 -4.141 347 HA LYS 50 HA LYS 50 1.859 -3.409 -2.544 348 1HB LYS 50 1HB LYS 50 4.563 -3.767 -3.862 349 2HB LYS 50 2HB LYS 50 3.442 -5.025 -3.383 350 1HG LYS 50 1HG LYS 50 1.727 -3.902 -4.969 351 2HG LYS 50 2HG LYS 50 3.064 -2.949 -5.582 352 1HD LYS 50 1HD LYS 50 3.084 -4.764 -7.065 353 2HD LYS 50 2HD LYS 50 4.272 -5.279 -5.884 354 1HE LYS 50 1HE LYS 50 2.837 -6.871 -4.919 355 2HE LYS 50 2HE LYS 50 1.385 -6.013 -5.394 356 1HZ LYS 50 1HZ LYS 50 2.456 -6.599 -7.751 357 2HZ LYS 50 2HZ LYS 50 2.942 -7.895 -6.883 358 3HZ LYS 50 3HZ LYS 50 1.353 -7.536 -6.996 359 HA PRO 51 HA PRO 51 4.070 -3.284 1.160 360 1HB PRO 51 1HB PRO 51 4.160 -5.893 1.967 361 2HB PRO 51 2HB PRO 51 2.737 -4.885 2.141 362 1HG PRO 51 1HG PRO 51 3.249 -7.048 0.192 363 2HG PRO 51 2HG PRO 51 1.720 -6.331 0.660 364 1HD PRO 51 1HD PRO 51 3.179 -5.834 -1.759 365 2HD PRO 51 2HD PRO 51 1.711 -5.032 -1.237 366 H LEU 52 H LEU 52 6.095 -2.759 1.678 367 HA LEU 52 HA LEU 52 8.200 -3.193 0.123 368 1HB LEU 52 1HB LEU 52 8.479 -1.766 1.924 369 2HB LEU 52 2HB LEU 52 7.945 -2.954 3.096 370 HG LEU 52 HG LEU 52 10.543 -3.212 1.567 371 1HD1 LEU 52 1HD1 LEU 52 9.886 -1.614 3.998 372 2HD1 LEU 52 2HD1 LEU 52 11.427 -2.504 3.970 373 3HD1 LEU 52 3HD1 LEU 52 11.068 -1.308 2.702 374 1HD2 LEU 52 1HD2 LEU 52 9.102 -4.933 3.353 375 2HD2 LEU 52 2HD2 LEU 52 10.640 -5.218 2.504 376 3HD2 LEU 52 3HD2 LEU 52 10.639 -4.449 4.109 377 H GLN 53 H GLN 53 9.557 -4.818 -0.518 378 HA GLN 53 HA GLN 53 8.732 -7.434 -0.056 379 1HB GLN 53 1HB GLN 53 10.864 -6.045 -1.561 380 2HB GLN 53 2HB GLN 53 11.346 -7.635 -1.003 381 1HG GLN 53 1HG GLN 53 10.256 -7.678 -3.270 382 2HG GLN 53 2HG GLN 53 9.434 -8.686 -2.095 383 2HE2 GLN 53 2HE2 GLN 53 9.433 -5.160 -2.523 384 1HE2 GLN 53 1HE2 GLN 53 7.734 -4.968 -2.800 385 H GLU 54 H GLU 54 8.673 -7.416 2.362 386 HA GLU 54 HA GLU 54 10.725 -6.960 4.011 387 1HB GLU 54 1HB GLU 54 9.573 -8.244 5.612 388 2HB GLU 54 2HB GLU 54 8.307 -7.808 4.481 389 1HG GLU 54 1HG GLU 54 8.821 -10.051 3.278 390 2HG GLU 54 2HG GLU 54 9.773 -10.470 4.689 391 H ALA 55 H ALA 55 12.810 -7.662 4.128 392 HA ALA 55 HA ALA 55 13.405 -10.442 3.876 393 1HB ALA 55 1HB ALA 55 13.353 -10.052 1.524 394 2HB ALA 55 2HB ALA 55 15.074 -10.003 1.979 395 3HB ALA 55 3HB ALA 55 14.186 -8.487 1.688 396 H GLU 56 H GLU 56 15.159 -7.310 3.285 397 HA GLU 56 HA GLU 56 17.400 -7.927 4.626 398 1HB GLU 56 1HB GLU 56 17.636 -5.426 5.004 399 2HB GLU 56 2HB GLU 56 17.274 -5.892 3.354 400 1HG GLU 56 1HG GLU 56 14.732 -5.593 4.218 401 2HG GLU 56 2HG GLU 56 15.505 -4.531 5.379 402 H CYS 57 H CYS 57 14.478 -6.278 6.030 403 HA CYS 57 HA CYS 57 14.496 -7.689 8.380 404 1HB CYS 57 1HB CYS 57 16.680 -5.963 8.382 405 2HB CYS 57 2HB CYS 57 15.469 -5.106 9.315 406 H THR 58 H THR 58 13.136 -6.337 10.126 407 HA THR 58 HA THR 58 11.091 -4.922 8.582 408 HB THR 58 HB THR 58 9.733 -5.415 10.675 409 HG1 THR 58 HG1 THR 58 11.572 -5.507 12.132 410 1HG2 THR 58 1HG2 THR 58 11.143 -7.615 9.136 411 2HG2 THR 58 2HG2 THR 58 10.144 -8.050 10.544 412 3HG2 THR 58 3HG2 THR 58 9.412 -7.202 9.161 413 H PHE 59 H PHE 59 9.882 -3.193 10.055 414 HA PHE 59 HA PHE 59 11.513 -1.006 10.155 415 1HB PHE 59 1HB PHE 59 8.912 -1.327 10.279 416 2HB PHE 59 2HB PHE 59 9.126 -1.593 11.997 417 HD1 PHE 59 HD1 PHE 59 10.060 0.267 13.412 418 HD2 PHE 59 HD2 PHE 59 8.882 0.862 9.379 419 HE1 PHE 59 HE1 PHE 59 9.951 2.743 13.809 420 HE2 PHE 59 HE2 PHE 59 8.773 3.338 9.776 421 HZ PHE 59 HZ PHE 59 9.309 4.249 11.986 No H/Q in entry = 421 Start of MODEL 16 1 H GLU 1 H GLU 1 5.961 -12.928 16.918 2 HA GLU 1 HA GLU 1 6.634 -12.106 19.065 3 1HB GLU 1 1HB GLU 1 8.274 -12.226 16.708 4 2HB GLU 1 2HB GLU 1 8.857 -10.890 17.681 5 1HG GLU 1 1HG GLU 1 8.548 -12.702 19.668 6 2HG GLU 1 2HG GLU 1 8.763 -13.826 18.341 7 H GLU 2 H GLU 2 6.335 -9.635 16.472 8 HA GLU 2 HA GLU 2 5.464 -7.728 18.321 9 1HB GLU 2 1HB GLU 2 7.370 -6.069 17.909 10 2HB GLU 2 2HB GLU 2 7.730 -7.397 18.994 11 1HG GLU 2 1HG GLU 2 8.475 -8.552 16.639 12 2HG GLU 2 2HG GLU 2 8.754 -6.873 16.222 13 H TYR 3 H TYR 3 7.306 -7.981 15.189 14 HA TYR 3 HA TYR 3 5.376 -6.147 13.994 15 1HB TYR 3 1HB TYR 3 7.671 -5.613 13.488 16 2HB TYR 3 2HB TYR 3 8.145 -7.300 13.451 17 HD1 TYR 3 HD1 TYR 3 5.207 -6.008 11.607 18 HD2 TYR 3 HD2 TYR 3 9.313 -7.180 11.347 19 HE1 TYR 3 HE1 TYR 3 5.056 -5.998 9.069 20 HE2 TYR 3 HE2 TYR 3 9.149 -7.166 8.810 21 HH TYR 3 HH TYR 3 7.740 -7.140 7.100 22 H VAL 4 H VAL 4 3.509 -7.398 13.650 23 HA VAL 4 HA VAL 4 3.831 -9.396 11.554 24 HB VAL 4 HB VAL 4 2.004 -10.693 12.926 25 1HG1 VAL 4 1HG1 VAL 4 4.994 -10.774 13.409 26 2HG1 VAL 4 2HG1 VAL 4 3.872 -12.010 14.025 27 3HG1 VAL 4 3HG1 VAL 4 4.035 -11.751 12.272 28 1HG2 VAL 4 1HG2 VAL 4 3.510 -9.189 15.090 29 2HG2 VAL 4 2HG2 VAL 4 1.762 -9.141 14.760 30 3HG2 VAL 4 3HG2 VAL 4 2.510 -10.635 15.372 31 H GLY 5 H GLY 5 3.101 -6.795 11.089 32 1HA GLY 5 1HA GLY 5 0.150 -6.908 10.908 33 2HA GLY 5 2HA GLY 5 1.163 -6.475 9.545 34 H LEU 6 H LEU 6 0.681 -5.577 13.038 35 HA LEU 6 HA LEU 6 -0.063 -3.016 12.700 36 1HB LEU 6 1HB LEU 6 0.990 -2.600 14.936 37 2HB LEU 6 2HB LEU 6 -0.134 -3.940 14.840 38 HG LEU 6 HG LEU 6 2.101 -4.181 16.163 39 1HD1 LEU 6 1HD1 LEU 6 0.317 -5.976 15.000 40 2HD1 LEU 6 2HD1 LEU 6 1.925 -6.596 14.557 41 3HD1 LEU 6 3HD1 LEU 6 1.517 -6.324 16.268 42 1HD2 LEU 6 1HD2 LEU 6 3.488 -3.407 14.212 43 2HD2 LEU 6 2HD2 LEU 6 4.007 -4.938 14.956 44 3HD2 LEU 6 3HD2 LEU 6 3.111 -4.955 13.418 45 H SER 7 H SER 7 1.141 -0.925 13.006 46 HA SER 7 HA SER 7 2.731 0.489 12.535 47 1HB SER 7 1HB SER 7 4.982 -0.067 12.719 48 2HB SER 7 2HB SER 7 4.251 -1.432 13.539 49 HG SER 7 HG SER 7 5.951 -1.688 11.645 50 H ALA 8 H ALA 8 4.546 0.857 10.545 51 HA ALA 8 HA ALA 8 3.025 0.113 8.148 52 1HB ALA 8 1HB ALA 8 4.051 2.591 9.161 53 2HB ALA 8 2HB ALA 8 4.934 2.197 7.667 54 3HB ALA 8 3HB ALA 8 3.157 2.298 7.651 55 H ASN 9 H ASN 9 5.344 -1.252 9.849 56 HA ASN 9 HA ASN 9 7.675 -1.264 8.582 57 1HB ASN 9 1HB ASN 9 6.078 -3.263 10.079 58 2HB ASN 9 2HB ASN 9 7.213 -4.014 8.975 59 2HD2 ASN 9 2HD2 ASN 9 9.456 -3.142 8.999 60 1HD2 ASN 9 1HD2 ASN 9 10.167 -2.736 10.526 61 H GLN 10 H GLN 10 4.577 -2.735 7.520 62 HA GLN 10 HA GLN 10 5.802 -4.082 5.327 63 1HB GLN 10 1HB GLN 10 3.540 -4.560 6.737 64 2HB GLN 10 2HB GLN 10 2.835 -3.634 5.427 65 1HG GLN 10 1HG GLN 10 4.092 -5.190 3.804 66 2HG GLN 10 2HG GLN 10 4.486 -6.188 5.190 67 2HE2 GLN 10 2HE2 GLN 10 2.311 -6.196 6.723 68 1HE2 GLN 10 1HE2 GLN 10 0.936 -6.877 5.917 69 H CYS 11 H CYS 11 4.090 -1.015 5.957 70 HA CYS 11 HA CYS 11 4.379 -0.383 3.110 71 1HB CYS 11 1HB CYS 11 2.607 1.248 4.859 72 2HB CYS 11 2HB CYS 11 2.476 0.879 3.151 73 H ALA 12 H ALA 12 6.681 -0.278 4.653 74 HA ALA 12 HA ALA 12 6.935 2.587 5.268 75 1HB ALA 12 1HB ALA 12 9.002 1.554 6.600 76 2HB ALA 12 2HB ALA 12 7.371 1.599 7.311 77 3HB ALA 12 3HB ALA 12 7.981 0.097 6.578 78 H VAL 13 H VAL 13 7.058 2.174 2.652 79 HA VAL 13 HA VAL 13 9.789 1.483 1.934 80 HB VAL 13 HB VAL 13 7.916 2.437 -0.126 81 1HG1 VAL 13 1HG1 VAL 13 10.104 0.522 0.208 82 2HG1 VAL 13 2HG1 VAL 13 8.744 -0.144 -0.728 83 3HG1 VAL 13 3HG1 VAL 13 9.530 1.364 -1.252 84 1HG2 VAL 13 1HG2 VAL 13 7.233 0.103 1.661 85 2HG2 VAL 13 2HG2 VAL 13 6.184 1.413 1.069 86 3HG2 VAL 13 3HG2 VAL 13 6.728 0.137 -0.045 87 HA PRO 14 HA PRO 14 11.017 5.615 1.636 88 1HB PRO 14 1HB PRO 14 13.048 5.457 -0.186 89 2HB PRO 14 2HB PRO 14 13.239 5.025 1.502 90 1HG PRO 14 1HG PRO 14 13.016 3.250 -0.852 91 2HG PRO 14 2HG PRO 14 13.622 2.878 0.750 92 1HD PRO 14 1HD PRO 14 11.063 2.157 -0.328 93 2HD PRO 14 2HD PRO 14 11.624 1.887 1.310 94 H ALA 15 H ALA 15 9.196 4.204 -0.608 95 HA ALA 15 HA ALA 15 7.793 5.195 -2.053 96 1HB ALA 15 1HB ALA 15 8.826 7.424 -0.766 97 2HB ALA 15 2HB ALA 15 7.540 7.441 -1.997 98 3HB ALA 15 3HB ALA 15 9.231 7.730 -2.472 99 H LYS 16 H LYS 16 11.312 5.258 -2.318 100 HA LYS 16 HA LYS 16 11.193 5.361 -5.211 101 1HB LYS 16 1HB LYS 16 13.625 5.395 -5.088 102 2HB LYS 16 2HB LYS 16 12.932 6.621 -4.045 103 1HG LYS 16 1HG LYS 16 14.386 5.723 -2.502 104 2HG LYS 16 2HG LYS 16 13.070 4.595 -2.243 105 1HD LYS 16 1HD LYS 16 14.815 3.093 -2.596 106 2HD LYS 16 2HD LYS 16 14.219 3.247 -4.237 107 1HE LYS 16 1HE LYS 16 15.945 5.262 -4.387 108 2HE LYS 16 2HE LYS 16 16.689 4.494 -2.998 109 1HZ LYS 16 1HZ LYS 16 16.786 2.447 -4.295 110 2HZ LYS 16 2HZ LYS 16 16.173 3.222 -5.596 111 3HZ LYS 16 3HZ LYS 16 17.631 3.653 -5.000 112 H ASP 17 H ASP 17 10.354 3.085 -3.037 113 HA ASP 17 HA ASP 17 11.457 0.980 -4.725 114 1HB ASP 17 1HB ASP 17 11.823 1.366 -1.914 115 2HB ASP 17 2HB ASP 17 10.707 0.025 -2.073 116 H ARG 18 H ARG 18 8.849 2.656 -4.589 117 HA ARG 18 HA ARG 18 6.896 0.872 -3.605 118 1HB ARG 18 1HB ARG 18 6.421 3.167 -5.558 119 2HB ARG 18 2HB ARG 18 5.291 2.513 -4.389 120 1HG ARG 18 1HG ARG 18 7.915 3.649 -3.400 121 2HG ARG 18 2HG ARG 18 6.643 4.757 -3.875 122 1HD ARG 18 1HD ARG 18 5.272 2.884 -2.305 123 2HD ARG 18 2HD ARG 18 6.818 3.014 -1.489 124 HE ARG 18 HE ARG 18 5.488 5.562 -2.234 125 1HH1 ARG 18 1HH1 ARG 18 6.269 3.223 0.276 126 2HH1 ARG 18 2HH1 ARG 18 5.932 4.315 1.577 127 1HH2 ARG 18 1HH2 ARG 18 5.043 7.003 -0.518 128 2HH2 ARG 18 2HH2 ARG 18 5.230 6.480 1.123 129 H VAL 19 H VAL 19 5.548 -0.569 -4.780 130 HA VAL 19 HA VAL 19 6.492 -1.133 -7.487 131 HB VAL 19 HB VAL 19 4.959 -2.717 -5.426 132 1HG1 VAL 19 1HG1 VAL 19 5.487 -3.344 -8.340 133 2HG1 VAL 19 2HG1 VAL 19 5.165 -4.609 -7.129 134 3HG1 VAL 19 3HG1 VAL 19 3.938 -3.363 -7.463 135 1HG2 VAL 19 1HG2 VAL 19 7.757 -2.730 -6.502 136 2HG2 VAL 19 2HG2 VAL 19 7.173 -2.925 -4.832 137 3HG2 VAL 19 3HG2 VAL 19 7.026 -4.270 -5.988 138 H ASP 20 H ASP 20 4.242 0.807 -6.026 139 HA ASP 20 HA ASP 20 2.284 1.609 -6.545 140 1HB ASP 20 1HB ASP 20 3.358 2.597 -8.428 141 2HB ASP 20 2HB ASP 20 3.518 1.063 -9.259 142 H CYS 21 H CYS 21 0.696 0.141 -5.762 143 HA CYS 21 HA CYS 21 0.209 -2.338 -7.005 144 1HB CYS 21 1HB CYS 21 -0.378 -1.244 -4.581 145 2HB CYS 21 2HB CYS 21 -1.944 -1.160 -5.363 146 H GLY 22 H GLY 22 -0.794 0.987 -7.543 147 1HA GLY 22 1HA GLY 22 -2.100 0.359 -9.974 148 2HA GLY 22 2HA GLY 22 -2.038 1.917 -9.173 149 H TYR 23 H TYR 23 -3.734 2.585 -7.769 150 HA TYR 23 HA TYR 23 -6.149 0.961 -8.052 151 1HB TYR 23 1HB TYR 23 -4.625 1.887 -5.589 152 2HB TYR 23 2HB TYR 23 -6.374 1.952 -5.496 153 HD1 TYR 23 HD1 TYR 23 -7.613 -0.289 -6.247 154 HD2 TYR 23 HD2 TYR 23 -3.548 -0.067 -4.931 155 HE1 TYR 23 HE1 TYR 23 -7.667 -2.758 -5.642 156 HE2 TYR 23 HE2 TYR 23 -3.616 -2.537 -4.331 157 HH TYR 23 HH TYR 23 -4.748 -4.431 -4.637 158 HA PRO 24 HA PRO 24 -7.881 4.859 -8.788 159 1HB PRO 24 1HB PRO 24 -10.537 4.308 -8.454 160 2HB PRO 24 2HB PRO 24 -9.657 3.932 -9.922 161 1HG PRO 24 1HG PRO 24 -10.558 2.103 -7.781 162 2HG PRO 24 2HG PRO 24 -10.071 1.719 -9.420 163 1HD PRO 24 1HD PRO 24 -8.519 1.346 -7.037 164 2HD PRO 24 2HD PRO 24 -7.991 1.072 -8.685 165 H HIS 25 H HIS 25 -10.096 3.673 -6.327 166 HA HIS 25 HA HIS 25 -9.699 6.177 -4.946 167 1HB HIS 25 1HB HIS 25 -11.635 5.574 -3.666 168 2HB HIS 25 2HB HIS 25 -11.967 5.289 -5.363 169 HD1 HIS 25 HD1 HIS 25 -13.705 3.839 -3.347 170 HD2 HIS 25 HD2 HIS 25 -10.127 2.233 -4.834 171 HE1 HIS 25 HE1 HIS 25 -13.871 1.312 -3.033 172 HE2 HIS 25 HE2 HIS 25 -11.667 0.376 -4.015 173 H VAL 26 H VAL 26 -7.524 5.933 -4.184 174 HA VAL 26 HA VAL 26 -7.090 3.711 -2.342 175 HB VAL 26 HB VAL 26 -4.736 4.503 -2.418 176 1HG1 VAL 26 1HG1 VAL 26 -6.041 3.869 -5.086 177 2HG1 VAL 26 2HG1 VAL 26 -4.300 3.743 -4.741 178 3HG1 VAL 26 3HG1 VAL 26 -5.456 2.699 -3.879 179 1HG2 VAL 26 1HG2 VAL 26 -5.481 6.898 -3.076 180 2HG2 VAL 26 2HG2 VAL 26 -3.996 6.236 -3.800 181 3HG2 VAL 26 3HG2 VAL 26 -5.507 6.267 -4.741 182 H THR 27 H THR 27 -6.857 3.986 -0.138 183 HA THR 27 HA THR 27 -6.586 6.664 0.928 184 HB THR 27 HB THR 27 -8.717 6.788 1.935 185 HG1 THR 27 HG1 THR 27 -9.839 4.801 2.416 186 1HG2 THR 27 1HG2 THR 27 -9.159 5.067 -0.561 187 2HG2 THR 27 2HG2 THR 27 -10.463 5.884 0.333 188 3HG2 THR 27 3HG2 THR 27 -9.207 6.844 -0.484 189 HA PRO 28 HA PRO 28 -4.697 4.570 4.166 190 1HB PRO 28 1HB PRO 28 -5.414 5.921 6.431 191 2HB PRO 28 2HB PRO 28 -4.197 6.503 5.312 192 1HG PRO 28 1HG PRO 28 -6.973 7.447 5.688 193 2HG PRO 28 2HG PRO 28 -5.633 8.262 4.906 194 1HD PRO 28 1HD PRO 28 -7.833 6.951 3.614 195 2HD PRO 28 2HD PRO 28 -6.435 7.664 2.836 196 H LYS 29 H LYS 29 -7.034 3.277 3.279 197 HA LYS 29 HA LYS 29 -7.299 1.417 5.319 198 1HB LYS 29 1HB LYS 29 -8.566 3.510 6.265 199 2HB LYS 29 2HB LYS 29 -9.836 3.024 5.160 200 1HG LYS 29 1HG LYS 29 -8.740 0.737 6.673 201 2HG LYS 29 2HG LYS 29 -9.388 1.979 7.727 202 1HD LYS 29 1HD LYS 29 -11.547 1.935 6.527 203 2HD LYS 29 2HD LYS 29 -10.909 0.799 5.354 204 1HE LYS 29 1HE LYS 29 -11.511 -0.923 6.699 205 2HE LYS 29 2HE LYS 29 -10.406 -0.345 7.931 206 1HZ LYS 29 1HZ LYS 29 -12.487 1.322 8.173 207 2HZ LYS 29 2HZ LYS 29 -13.236 -0.077 7.787 208 3HZ LYS 29 3HZ LYS 29 -12.250 -0.011 9.087 209 H GLU 30 H GLU 30 -8.958 3.133 2.610 210 HA GLU 30 HA GLU 30 -10.255 0.785 1.750 211 1HB GLU 30 1HB GLU 30 -11.188 2.985 1.240 212 2HB GLU 30 2HB GLU 30 -9.734 3.460 0.386 213 1HG GLU 30 1HG GLU 30 -10.359 2.374 -1.525 214 2HG GLU 30 2HG GLU 30 -10.854 0.936 -0.655 215 H CYS 31 H CYS 31 -7.198 2.480 0.928 216 HA CYS 31 HA CYS 31 -6.653 0.854 -1.321 217 1HB CYS 31 1HB CYS 31 -5.548 2.847 -1.452 218 2HB CYS 31 2HB CYS 31 -5.194 2.908 0.264 219 H ASN 32 H ASN 32 -6.077 0.731 2.200 220 HA ASN 32 HA ASN 32 -4.238 -1.437 1.942 221 1HB ASN 32 1HB ASN 32 -5.631 -0.550 4.507 222 2HB ASN 32 2HB ASN 32 -4.063 -1.315 4.351 223 2HD2 ASN 32 2HD2 ASN 32 -2.422 -0.036 4.657 224 1HD2 ASN 32 1HD2 ASN 32 -2.317 1.654 4.295 225 H ASN 33 H ASN 33 -7.593 -1.038 1.711 226 HA ASN 33 HA ASN 33 -8.196 -3.532 3.048 227 1HB ASN 33 1HB ASN 33 -9.731 -1.652 3.493 228 2HB ASN 33 2HB ASN 33 -9.963 -1.379 1.777 229 2HD2 ASN 33 2HD2 ASN 33 -11.311 -2.651 4.454 230 1HD2 ASN 33 1HD2 ASN 33 -12.376 -3.840 3.782 231 H ARG 34 H ARG 34 -8.244 -1.841 -0.140 232 HA ARG 34 HA ARG 34 -9.577 -3.706 -1.601 233 1HB ARG 34 1HB ARG 34 -8.361 -1.324 -2.151 234 2HB ARG 34 2HB ARG 34 -7.188 -2.401 -2.882 235 1HG ARG 34 1HG ARG 34 -8.898 -1.723 -4.539 236 2HG ARG 34 2HG ARG 34 -8.962 -3.452 -4.260 237 1HD ARG 34 1HD ARG 34 -10.951 -3.292 -2.937 238 2HD ARG 34 2HD ARG 34 -10.738 -1.575 -2.658 239 HE ARG 34 HE ARG 34 -10.980 -2.041 -5.483 240 1HH1 ARG 34 1HH1 ARG 34 -12.914 -2.055 -2.543 241 2HH1 ARG 34 2HH1 ARG 34 -14.394 -1.687 -3.363 242 1HH2 ARG 34 1HH2 ARG 34 -12.933 -1.554 -6.565 243 2HH2 ARG 34 2HH2 ARG 34 -14.405 -1.400 -5.666 244 H GLY 35 H GLY 35 -6.334 -3.790 -0.222 245 1HA GLY 35 1HA GLY 35 -5.816 -6.335 -1.642 246 2HA GLY 35 2HA GLY 35 -5.439 -6.049 0.045 247 H CYS 36 H CYS 36 -3.928 -4.105 0.508 248 HA CYS 36 HA CYS 36 -1.520 -4.506 -0.661 249 1HB CYS 36 1HB CYS 36 -3.122 -3.159 -2.520 250 2HB CYS 36 2HB CYS 36 -2.092 -1.916 -1.837 251 H CYS 37 H CYS 37 -0.575 -1.701 -0.651 252 HA CYS 37 HA CYS 37 -1.228 -1.021 2.125 253 1HB CYS 37 1HB CYS 37 1.390 -1.280 0.734 254 2HB CYS 37 2HB CYS 37 1.218 0.043 1.870 255 H PHE 38 H PHE 38 -1.236 1.315 2.591 256 HA PHE 38 HA PHE 38 -1.591 2.903 0.146 257 1HB PHE 38 1HB PHE 38 -3.681 2.562 1.437 258 2HB PHE 38 2HB PHE 38 -2.865 2.939 2.941 259 HD1 PHE 38 HD1 PHE 38 -4.099 4.390 -0.222 260 HD2 PHE 38 HD2 PHE 38 -2.627 5.185 3.677 261 HE1 PHE 38 HE1 PHE 38 -4.781 6.794 -0.455 262 HE2 PHE 38 HE2 PHE 38 -3.309 7.589 3.444 263 HZ PHE 38 HZ PHE 38 -4.377 8.365 1.381 264 H ASP 39 H ASP 39 -1.387 5.399 0.737 265 HA ASP 39 HA ASP 39 0.218 6.147 2.844 266 1HB ASP 39 1HB ASP 39 2.008 4.861 1.751 267 2HB ASP 39 2HB ASP 39 1.694 5.652 0.219 268 H SER 40 H SER 40 0.409 8.485 2.822 269 HA SER 40 HA SER 40 -0.469 9.744 0.349 270 1HB SER 40 1HB SER 40 -1.904 11.283 1.608 271 2HB SER 40 2HB SER 40 -2.389 9.628 1.923 272 HG SER 40 HG SER 40 -1.543 11.539 3.695 273 H ARG 41 H ARG 41 2.133 9.257 2.065 274 HA ARG 41 HA ARG 41 2.924 11.609 3.188 275 1HB ARG 41 1HB ARG 41 4.065 9.158 2.850 276 2HB ARG 41 2HB ARG 41 4.971 10.038 1.636 277 1HG ARG 41 1HG ARG 41 5.005 11.787 3.824 278 2HG ARG 41 2HG ARG 41 5.124 10.213 4.584 279 1HD ARG 41 1HD ARG 41 7.250 9.867 3.807 280 2HD ARG 41 2HD ARG 41 6.853 10.434 2.197 281 HE ARG 41 HE ARG 41 6.928 12.638 4.081 282 1HH1 ARG 41 1HH1 ARG 41 8.984 10.503 2.185 283 2HH1 ARG 41 2HH1 ARG 41 10.299 11.627 2.109 284 1HH2 ARG 41 1HH2 ARG 41 8.663 14.122 3.981 285 2HH2 ARG 41 2HH2 ARG 41 10.116 13.699 3.138 286 H ILE 42 H ILE 42 3.495 10.398 -0.198 287 HA ILE 42 HA ILE 42 3.564 13.173 -1.079 288 HB ILE 42 HB ILE 42 5.553 12.068 -2.595 289 1HG1 ILE 42 1HG1 ILE 42 7.172 11.088 -0.995 290 2HG1 ILE 42 2HG1 ILE 42 5.933 11.074 0.244 291 1HG2 ILE 42 1HG2 ILE 42 5.594 13.827 -0.146 292 2HG2 ILE 42 2HG2 ILE 42 7.071 13.451 -1.065 293 3HG2 ILE 42 3HG2 ILE 42 5.716 14.286 -1.862 294 1HD1 ILE 42 1HD1 ILE 42 4.986 9.841 -2.255 295 2HD1 ILE 42 2HD1 ILE 42 6.431 9.032 -1.602 296 3HD1 ILE 42 3HD1 ILE 42 4.971 9.194 -0.597 297 HA PRO 43 HA PRO 43 1.091 11.347 -4.129 298 1HB PRO 43 1HB PRO 43 0.796 13.498 -5.789 299 2HB PRO 43 2HB PRO 43 -0.167 13.264 -4.344 300 1HG PRO 43 1HG PRO 43 2.075 15.138 -4.794 301 2HG PRO 43 2HG PRO 43 0.846 15.176 -3.545 302 1HD PRO 43 1HD PRO 43 3.570 14.329 -3.247 303 2HD PRO 43 2HD PRO 43 2.312 14.258 -2.029 304 H GLY 44 H GLY 44 3.968 13.088 -5.090 305 1HA GLY 44 1HA GLY 44 5.603 12.411 -6.505 306 2HA GLY 44 2HA GLY 44 4.294 12.422 -7.669 307 H VAL 45 H VAL 45 4.724 10.211 -4.840 308 HA VAL 45 HA VAL 45 5.382 8.045 -6.669 309 HB VAL 45 HB VAL 45 6.320 6.997 -4.892 310 1HG1 VAL 45 1HG1 VAL 45 7.249 9.361 -5.143 311 2HG1 VAL 45 2HG1 VAL 45 6.327 9.770 -3.677 312 3HG1 VAL 45 3HG1 VAL 45 7.598 8.526 -3.610 313 1HG2 VAL 45 1HG2 VAL 45 4.174 8.284 -3.197 314 2HG2 VAL 45 2HG2 VAL 45 4.457 6.557 -3.522 315 3HG2 VAL 45 3HG2 VAL 45 5.578 7.461 -2.475 316 HA PRO 46 HA PRO 46 1.500 6.161 -6.370 317 1HB PRO 46 1HB PRO 46 1.999 3.500 -5.997 318 2HB PRO 46 2HB PRO 46 2.152 4.295 -7.552 319 1HG PRO 46 1HG PRO 46 4.284 3.407 -5.707 320 2HG PRO 46 2HG PRO 46 4.400 3.803 -7.410 321 1HD PRO 46 1HD PRO 46 5.234 5.440 -5.208 322 2HD PRO 46 2HD PRO 46 5.242 5.881 -6.904 323 H TRP 47 H TRP 47 0.536 7.223 -4.645 324 HA TRP 47 HA TRP 47 0.936 6.934 -2.054 325 1HB TRP 47 1HB TRP 47 -1.539 7.228 -3.673 326 2HB TRP 47 2HB TRP 47 -1.740 6.845 -1.974 327 HD1 TRP 47 HD1 TRP 47 1.161 9.143 -3.044 328 HE1 TRP 47 HE1 TRP 47 0.815 11.602 -2.152 329 HE3 TRP 47 HE3 TRP 47 -3.566 8.412 -1.320 330 HZ2 TRP 47 HZ2 TRP 47 -1.349 12.936 -0.854 331 HZ3 TRP 47 HZ3 TRP 47 -4.725 10.345 -0.254 332 HH2 TRP 47 HH2 TRP 47 -3.692 12.547 -0.008 333 H CYS 48 H CYS 48 -1.022 4.613 -4.057 334 HA CYS 48 HA CYS 48 -0.932 2.738 -1.844 335 1HB CYS 48 1HB CYS 48 -3.026 3.306 -3.238 336 2HB CYS 48 2HB CYS 48 -2.313 2.302 -4.484 337 H PHE 49 H PHE 49 0.882 1.454 -1.757 338 HA PHE 49 HA PHE 49 1.871 0.410 -4.309 339 1HB PHE 49 1HB PHE 49 4.178 0.613 -3.091 340 2HB PHE 49 2HB PHE 49 3.464 2.114 -3.644 341 HD1 PHE 49 HD1 PHE 49 3.613 -0.063 -0.620 342 HD2 PHE 49 HD2 PHE 49 3.243 3.876 -2.155 343 HE1 PHE 49 HE1 PHE 49 3.741 0.857 1.711 344 HE2 PHE 49 HE2 PHE 49 3.371 4.796 0.177 345 HZ PHE 49 HZ PHE 49 3.618 3.276 2.082 346 H LYS 50 H LYS 50 3.198 -1.618 -4.029 347 HA LYS 50 HA LYS 50 1.804 -3.426 -2.394 348 1HB LYS 50 1HB LYS 50 4.476 -3.824 -3.767 349 2HB LYS 50 2HB LYS 50 3.363 -5.071 -3.244 350 1HG LYS 50 1HG LYS 50 1.613 -3.874 -4.789 351 2HG LYS 50 2HG LYS 50 2.995 -3.055 -5.489 352 1HD LYS 50 1HD LYS 50 2.815 -4.936 -6.882 353 2HD LYS 50 2HD LYS 50 4.019 -5.472 -5.727 354 1HE LYS 50 1HE LYS 50 2.478 -6.855 -4.558 355 2HE LYS 50 2HE LYS 50 1.083 -5.990 -5.170 356 1HZ LYS 50 1HZ LYS 50 2.084 -6.843 -7.425 357 2HZ LYS 50 2HZ LYS 50 2.670 -8.024 -6.461 358 3HZ LYS 50 3HZ LYS 50 1.061 -7.754 -6.536 359 HA PRO 51 HA PRO 51 4.086 -3.373 1.269 360 1HB PRO 51 1HB PRO 51 4.227 -5.995 2.028 361 2HB PRO 51 2HB PRO 51 2.793 -5.011 2.243 362 1HG PRO 51 1HG PRO 51 3.304 -7.130 0.247 363 2HG PRO 51 2HG PRO 51 1.772 -6.445 0.753 364 1HD PRO 51 1HD PRO 51 3.184 -5.883 -1.680 365 2HD PRO 51 2HD PRO 51 1.713 -5.113 -1.120 366 H LEU 52 H LEU 52 6.107 -2.733 1.625 367 HA LEU 52 HA LEU 52 8.182 -3.173 0.058 368 1HB LEU 52 1HB LEU 52 8.412 -1.704 1.861 369 2HB LEU 52 2HB LEU 52 8.043 -2.940 3.048 370 HG LEU 52 HG LEU 52 10.550 -2.983 1.352 371 1HD1 LEU 52 1HD1 LEU 52 9.899 -1.388 3.753 372 2HD1 LEU 52 2HD1 LEU 52 11.438 -2.280 3.816 373 3HD1 LEU 52 3HD1 LEU 52 11.128 -1.131 2.492 374 1HD2 LEU 52 1HD2 LEU 52 9.356 -4.853 3.155 375 2HD2 LEU 52 2HD2 LEU 52 10.882 -4.981 2.248 376 3HD2 LEU 52 3HD2 LEU 52 10.870 -4.252 3.872 377 H GLN 53 H GLN 53 9.642 -4.755 -0.516 378 HA GLN 53 HA GLN 53 8.861 -7.389 -0.045 379 1HB GLN 53 1HB GLN 53 10.966 -7.966 -1.267 380 2HB GLN 53 2HB GLN 53 10.008 -6.758 -2.101 381 1HG GLN 53 1HG GLN 53 11.878 -5.504 -0.215 382 2HG GLN 53 2HG GLN 53 12.726 -6.541 -1.346 383 2HE2 GLN 53 2HE2 GLN 53 11.410 -3.531 -0.817 384 1HE2 GLN 53 1HE2 GLN 53 11.356 -2.916 -2.436 385 H GLU 54 H GLU 54 8.783 -7.314 2.381 386 HA GLU 54 HA GLU 54 10.797 -6.800 4.043 387 1HB GLU 54 1HB GLU 54 9.691 -8.153 5.639 388 2HB GLU 54 2HB GLU 54 8.419 -7.701 4.522 389 1HG GLU 54 1HG GLU 54 9.982 -10.326 4.423 390 2HG GLU 54 2HG GLU 54 8.373 -10.142 5.094 391 H ALA 55 H ALA 55 12.829 -7.578 4.500 392 HA ALA 55 HA ALA 55 13.509 -10.302 4.058 393 1HB ALA 55 1HB ALA 55 14.429 -10.227 2.006 394 2HB ALA 55 2HB ALA 55 13.688 -8.622 1.803 395 3HB ALA 55 3HB ALA 55 15.354 -8.762 2.414 396 H GLU 56 H GLU 56 15.180 -7.070 3.931 397 HA GLU 56 HA GLU 56 16.528 -7.900 6.382 398 1HB GLU 56 1HB GLU 56 17.663 -6.454 3.956 399 2HB GLU 56 2HB GLU 56 18.481 -6.467 5.505 400 1HG GLU 56 1HG GLU 56 17.578 -9.083 4.266 401 2HG GLU 56 2HG GLU 56 19.051 -8.320 3.700 402 H CYS 57 H CYS 57 17.557 -5.833 7.512 403 HA CYS 57 HA CYS 57 17.319 -3.831 8.405 404 1HB CYS 57 1HB CYS 57 16.216 -3.406 5.794 405 2HB CYS 57 2HB CYS 57 15.241 -2.538 6.963 406 H THR 58 H THR 58 14.065 -4.820 7.085 407 HA THR 58 HA THR 58 12.444 -3.942 9.047 408 HB THR 58 HB THR 58 10.959 -5.813 8.349 409 HG1 THR 58 HG1 THR 58 13.499 -6.704 7.172 410 1HG2 THR 58 1HG2 THR 58 12.315 -4.067 6.500 411 2HG2 THR 58 2HG2 THR 58 12.215 -5.675 5.742 412 3HG2 THR 58 3HG2 THR 58 10.733 -4.855 6.289 413 H PHE 59 H PHE 59 13.977 -7.234 9.123 414 HA PHE 59 HA PHE 59 13.161 -7.674 11.779 415 1HB PHE 59 1HB PHE 59 14.208 -9.108 9.638 416 2HB PHE 59 2HB PHE 59 15.635 -8.975 10.646 417 HD1 PHE 59 HD1 PHE 59 12.086 -10.076 10.727 418 HD2 PHE 59 HD2 PHE 59 15.953 -10.443 12.435 419 HE1 PHE 59 HE1 PHE 59 11.292 -12.017 12.107 420 HE2 PHE 59 HE2 PHE 59 15.159 -12.383 13.816 421 HZ PHE 59 HZ PHE 59 12.838 -13.147 13.635 No H/Q in entry = 421 Start of MODEL 17 1 H GLU 1 H GLU 1 9.705 -14.111 17.524 2 HA GLU 1 HA GLU 1 8.406 -11.835 16.256 3 1HB GLU 1 1HB GLU 1 10.229 -10.373 17.228 4 2HB GLU 1 2HB GLU 1 9.097 -11.000 18.410 5 1HG GLU 1 1HG GLU 1 10.832 -11.902 19.554 6 2HG GLU 1 2HG GLU 1 11.139 -12.974 18.202 7 H GLU 2 H GLU 2 8.990 -11.829 14.133 8 HA GLU 2 HA GLU 2 11.606 -11.695 13.326 9 1HB GLU 2 1HB GLU 2 11.253 -14.262 14.053 10 2HB GLU 2 2HB GLU 2 10.587 -14.383 12.437 11 1HG GLU 2 1HG GLU 2 12.693 -13.349 11.517 12 2HG GLU 2 2HG GLU 2 13.358 -13.302 13.138 13 H TYR 3 H TYR 3 8.628 -13.450 12.168 14 HA TYR 3 HA TYR 3 8.643 -11.634 9.853 15 1HB TYR 3 1HB TYR 3 8.948 -13.971 9.202 16 2HB TYR 3 2HB TYR 3 7.823 -14.532 10.422 17 HD1 TYR 3 HD1 TYR 3 7.727 -12.164 7.498 18 HD2 TYR 3 HD2 TYR 3 5.828 -15.367 9.606 19 HE1 TYR 3 HE1 TYR 3 5.864 -12.207 5.769 20 HE2 TYR 3 HE2 TYR 3 3.971 -15.399 7.869 21 HH TYR 3 HH TYR 3 2.965 -13.830 6.284 22 H VAL 4 H VAL 4 7.411 -9.964 10.896 23 HA VAL 4 HA VAL 4 4.595 -10.713 11.170 24 HB VAL 4 HB VAL 4 4.689 -8.858 13.047 25 1HG1 VAL 4 1HG1 VAL 4 3.857 -11.154 13.327 26 2HG1 VAL 4 2HG1 VAL 4 5.526 -11.740 13.523 27 3HG1 VAL 4 3HG1 VAL 4 4.822 -10.639 14.731 28 1HG2 VAL 4 1HG2 VAL 4 7.491 -10.023 13.080 29 2HG2 VAL 4 2HG2 VAL 4 7.028 -8.313 12.906 30 3HG2 VAL 4 3HG2 VAL 4 6.748 -9.159 14.447 31 H GLY 5 H GLY 5 3.616 -9.677 9.508 32 1HA GLY 5 1HA GLY 5 4.225 -7.954 7.744 33 2HA GLY 5 2HA GLY 5 4.324 -6.841 9.094 34 H LEU 6 H LEU 6 2.465 -5.867 9.871 35 HA LEU 6 HA LEU 6 -0.046 -6.872 8.725 36 1HB LEU 6 1HB LEU 6 -0.948 -5.684 10.915 37 2HB LEU 6 2HB LEU 6 -0.497 -7.376 10.861 38 HG LEU 6 HG LEU 6 1.544 -5.323 11.669 39 1HD1 LEU 6 1HD1 LEU 6 -0.560 -4.906 12.973 40 2HD1 LEU 6 2HD1 LEU 6 -0.417 -6.560 13.615 41 3HD1 LEU 6 3HD1 LEU 6 0.855 -5.361 13.951 42 1HD2 LEU 6 1HD2 LEU 6 1.276 -8.241 11.699 43 2HD2 LEU 6 2HD2 LEU 6 2.729 -7.215 11.744 44 3HD2 LEU 6 3HD2 LEU 6 1.836 -7.559 13.244 45 H SER 7 H SER 7 1.535 -3.965 10.232 46 HA SER 7 HA SER 7 0.636 -2.450 7.961 47 1HB SER 7 1HB SER 7 -0.510 -0.744 9.263 48 2HB SER 7 2HB SER 7 -1.241 -2.297 9.615 49 HG SER 7 HG SER 7 -0.927 -1.586 11.644 50 H ALA 8 H ALA 8 1.946 -0.564 7.602 51 HA ALA 8 HA ALA 8 3.597 0.908 7.975 52 1HB ALA 8 1HB ALA 8 4.339 1.367 10.092 53 2HB ALA 8 2HB ALA 8 4.592 -0.349 10.493 54 3HB ALA 8 3HB ALA 8 2.954 0.344 10.543 55 H ASN 9 H ASN 9 4.813 -2.115 9.586 56 HA ASN 9 HA ASN 9 7.250 -2.112 8.461 57 1HB ASN 9 1HB ASN 9 5.870 -3.828 10.093 58 2HB ASN 9 2HB ASN 9 5.891 -4.793 8.630 59 2HD2 ASN 9 2HD2 ASN 9 7.234 -5.133 11.226 60 1HD2 ASN 9 1HD2 ASN 9 8.928 -5.292 10.902 61 H GLN 10 H GLN 10 4.107 -3.123 7.083 62 HA GLN 10 HA GLN 10 5.318 -4.362 4.819 63 1HB GLN 10 1HB GLN 10 2.827 -4.352 4.031 64 2HB GLN 10 2HB GLN 10 3.270 -5.357 5.396 65 1HG GLN 10 1HG GLN 10 2.295 -3.880 6.977 66 2HG GLN 10 2HG GLN 10 2.355 -2.510 5.886 67 2HE2 GLN 10 2HE2 GLN 10 1.192 -5.851 5.491 68 1HE2 GLN 10 1HE2 GLN 10 -0.433 -5.466 5.028 69 H CYS 11 H CYS 11 3.801 -1.227 5.665 70 HA CYS 11 HA CYS 11 4.354 -0.327 2.937 71 1HB CYS 11 1HB CYS 11 2.745 1.378 4.743 72 2HB CYS 11 2HB CYS 11 2.582 1.077 3.025 73 H ALA 12 H ALA 12 6.556 -0.691 4.640 74 HA ALA 12 HA ALA 12 7.089 1.967 5.744 75 1HB ALA 12 1HB ALA 12 9.225 0.340 6.400 76 2HB ALA 12 2HB ALA 12 7.802 0.633 7.429 77 3HB ALA 12 3HB ALA 12 7.864 -0.807 6.384 78 H VAL 13 H VAL 13 6.920 1.746 2.909 79 HA VAL 13 HA VAL 13 9.679 1.534 2.014 80 HB VAL 13 HB VAL 13 7.632 2.371 0.095 81 1HG1 VAL 13 1HG1 VAL 13 10.018 0.717 0.246 82 2HG1 VAL 13 2HG1 VAL 13 8.704 -0.116 -0.619 83 3HG1 VAL 13 3HG1 VAL 13 9.253 1.487 -1.165 84 1HG2 VAL 13 1HG2 VAL 13 7.221 -0.113 1.759 85 2HG2 VAL 13 2HG2 VAL 13 6.039 1.127 1.275 86 3HG2 VAL 13 3HG2 VAL 13 6.661 -0.028 0.072 87 HA PRO 14 HA PRO 14 10.276 5.813 2.006 88 1HB PRO 14 1HB PRO 14 12.151 6.119 0.042 89 2HB PRO 14 2HB PRO 14 12.540 5.577 1.662 90 1HG PRO 14 1HG PRO 14 12.380 3.998 -0.831 91 2HG PRO 14 2HG PRO 14 13.163 3.585 0.681 92 1HD PRO 14 1HD PRO 14 10.654 2.583 -0.282 93 2HD PRO 14 2HD PRO 14 11.381 2.261 1.279 94 H ALA 15 H ALA 15 10.243 4.787 -1.382 95 HA ALA 15 HA ALA 15 7.884 5.748 -2.154 96 1HB ALA 15 1HB ALA 15 9.639 7.982 -1.381 97 2HB ALA 15 2HB ALA 15 7.881 7.955 -1.658 98 3HB ALA 15 3HB ALA 15 8.996 8.133 -3.034 99 H LYS 16 H LYS 16 11.347 5.416 -2.664 100 HA LYS 16 HA LYS 16 10.991 5.381 -5.552 101 1HB LYS 16 1HB LYS 16 13.404 5.339 -5.660 102 2HB LYS 16 2HB LYS 16 12.888 6.623 -4.586 103 1HG LYS 16 1HG LYS 16 14.542 5.649 -3.269 104 2HG LYS 16 2HG LYS 16 13.146 4.754 -2.702 105 1HD LYS 16 1HD LYS 16 13.676 2.848 -4.100 106 2HD LYS 16 2HD LYS 16 14.864 3.757 -5.013 107 1HE LYS 16 1HE LYS 16 15.803 4.041 -2.405 108 2HE LYS 16 2HE LYS 16 15.131 2.422 -2.374 109 1HZ LYS 16 1HZ LYS 16 16.635 2.940 -4.727 110 2HZ LYS 16 2HZ LYS 16 17.532 3.095 -3.371 111 3HZ LYS 16 3HZ LYS 16 16.748 1.696 -3.676 112 H ASP 17 H ASP 17 10.353 3.315 -3.063 113 HA ASP 17 HA ASP 17 11.258 1.029 -4.632 114 1HB ASP 17 1HB ASP 17 11.393 1.640 -1.776 115 2HB ASP 17 2HB ASP 17 10.474 0.170 -2.028 116 H ARG 18 H ARG 18 8.693 2.919 -4.433 117 HA ARG 18 HA ARG 18 6.687 1.171 -3.496 118 1HB ARG 18 1HB ARG 18 6.293 3.580 -5.330 119 2HB ARG 18 2HB ARG 18 5.133 2.905 -4.204 120 1HG ARG 18 1HG ARG 18 7.776 4.230 -3.431 121 2HG ARG 18 2HG ARG 18 6.196 4.978 -3.309 122 1HD ARG 18 1HD ARG 18 5.520 3.000 -1.785 123 2HD ARG 18 2HD ARG 18 7.216 2.560 -1.753 124 HE ARG 18 HE ARG 18 7.551 4.274 -0.215 125 1HH1 ARG 18 1HH1 ARG 18 4.745 5.083 -2.178 126 2HH1 ARG 18 2HH1 ARG 18 4.402 6.544 -1.313 127 1HH2 ARG 18 1HH2 ARG 18 7.099 6.201 0.927 128 2HH2 ARG 18 2HH2 ARG 18 5.750 7.184 0.465 129 H VAL 19 H VAL 19 6.056 -0.648 -4.617 130 HA VAL 19 HA VAL 19 6.671 -0.934 -7.382 131 HB VAL 19 HB VAL 19 4.810 -2.707 -5.834 132 1HG1 VAL 19 1HG1 VAL 19 6.969 -3.208 -7.910 133 2HG1 VAL 19 2HG1 VAL 19 6.010 -4.474 -7.106 134 3HG1 VAL 19 3HG1 VAL 19 5.208 -3.282 -8.158 135 1HG2 VAL 19 1HG2 VAL 19 7.583 -2.034 -5.117 136 2HG2 VAL 19 2HG2 VAL 19 6.315 -2.847 -4.169 137 3HG2 VAL 19 3HG2 VAL 19 7.295 -3.778 -5.326 138 H ASP 20 H ASP 20 4.170 0.627 -5.632 139 HA ASP 20 HA ASP 20 2.297 1.547 -6.214 140 1HB ASP 20 1HB ASP 20 3.314 2.569 -8.112 141 2HB ASP 20 2HB ASP 20 3.472 1.046 -8.964 142 H CYS 21 H CYS 21 0.351 0.484 -5.816 143 HA CYS 21 HA CYS 21 0.011 -2.181 -6.819 144 1HB CYS 21 1HB CYS 21 -0.724 -0.942 -4.511 145 2HB CYS 21 2HB CYS 21 -2.227 -0.867 -5.409 146 H GLY 22 H GLY 22 -0.612 1.041 -7.851 147 1HA GLY 22 1HA GLY 22 -1.810 0.333 -10.251 148 2HA GLY 22 2HA GLY 22 -1.817 1.929 -9.526 149 H TYR 23 H TYR 23 -3.522 2.419 -7.855 150 HA TYR 23 HA TYR 23 -6.011 1.144 -8.670 151 1HB TYR 23 1HB TYR 23 -4.632 0.392 -6.366 152 2HB TYR 23 2HB TYR 23 -5.563 1.739 -5.741 153 HD1 TYR 23 HD1 TYR 23 -6.610 -0.734 -8.339 154 HD2 TYR 23 HD2 TYR 23 -7.125 0.678 -4.333 155 HE1 TYR 23 HE1 TYR 23 -8.626 -2.256 -8.054 156 HE2 TYR 23 HE2 TYR 23 -9.140 -0.848 -4.062 157 HH TYR 23 HH TYR 23 -10.327 -2.769 -6.791 158 HA PRO 24 HA PRO 24 -7.351 5.250 -8.374 159 1HB PRO 24 1HB PRO 24 -10.061 4.897 -8.399 160 2HB PRO 24 2HB PRO 24 -9.077 4.864 -9.849 161 1HG PRO 24 1HG PRO 24 -10.316 2.606 -8.397 162 2HG PRO 24 2HG PRO 24 -9.705 2.653 -10.039 163 1HD PRO 24 1HD PRO 24 -8.421 1.469 -7.764 164 2HD PRO 24 2HD PRO 24 -7.761 1.618 -9.380 165 H HIS 25 H HIS 25 -10.066 3.938 -6.638 166 HA HIS 25 HA HIS 25 -9.878 5.853 -4.652 167 1HB HIS 25 1HB HIS 25 -11.461 4.329 -3.413 168 2HB HIS 25 2HB HIS 25 -11.961 4.823 -5.018 169 HD1 HIS 25 HD1 HIS 25 -13.526 2.697 -5.116 170 HD2 HIS 25 HD2 HIS 25 -9.421 1.865 -4.878 171 HE1 HIS 25 HE1 HIS 25 -13.260 0.231 -5.717 172 HE2 HIS 25 HE2 HIS 25 -10.712 -0.207 -5.607 173 H VAL 26 H VAL 26 -7.663 5.944 -3.950 174 HA VAL 26 HA VAL 26 -6.891 3.637 -2.300 175 HB VAL 26 HB VAL 26 -4.579 4.420 -2.636 176 1HG1 VAL 26 1HG1 VAL 26 -6.323 3.558 -4.914 177 2HG1 VAL 26 2HG1 VAL 26 -4.624 3.971 -5.249 178 3HG1 VAL 26 3HG1 VAL 26 -5.014 2.686 -4.081 179 1HG2 VAL 26 1HG2 VAL 26 -5.853 6.411 -4.541 180 2HG2 VAL 26 2HG2 VAL 26 -4.954 6.779 -3.050 181 3HG2 VAL 26 3HG2 VAL 26 -4.110 6.063 -4.444 182 H THR 27 H THR 27 -7.041 3.969 -0.147 183 HA THR 27 HA THR 27 -6.476 6.660 0.856 184 HB THR 27 HB THR 27 -8.565 6.861 1.922 185 HG1 THR 27 HG1 THR 27 -9.285 5.019 2.925 186 1HG2 THR 27 1HG2 THR 27 -8.877 6.492 -0.677 187 2HG2 THR 27 2HG2 THR 27 -9.503 4.896 -0.201 188 3HG2 THR 27 3HG2 THR 27 -10.308 6.376 0.375 189 HA PRO 28 HA PRO 28 -4.503 4.600 4.067 190 1HB PRO 28 1HB PRO 28 -5.114 6.005 6.330 191 2HB PRO 28 2HB PRO 28 -3.931 6.546 5.156 192 1HG PRO 28 1HG PRO 28 -6.676 7.541 5.615 193 2HG PRO 28 2HG PRO 28 -5.354 8.320 4.769 194 1HD PRO 28 1HD PRO 28 -7.621 7.020 3.585 195 2HD PRO 28 2HD PRO 28 -6.241 7.696 2.742 196 H LYS 29 H LYS 29 -6.927 3.360 3.295 197 HA LYS 29 HA LYS 29 -7.138 1.546 5.402 198 1HB LYS 29 1HB LYS 29 -8.372 3.686 6.291 199 2HB LYS 29 2HB LYS 29 -9.666 3.165 5.230 200 1HG LYS 29 1HG LYS 29 -8.497 0.981 6.881 201 2HG LYS 29 2HG LYS 29 -9.270 2.247 7.815 202 1HD LYS 29 1HD LYS 29 -11.388 1.881 6.817 203 2HD LYS 29 2HD LYS 29 -10.703 1.111 5.400 204 1HE LYS 29 1HE LYS 29 -10.291 -0.934 6.544 205 2HE LYS 29 2HE LYS 29 -10.346 -0.177 8.123 206 1HZ LYS 29 1HZ LYS 29 -12.710 -0.199 6.405 207 2HZ LYS 29 2HZ LYS 29 -12.352 -1.481 7.351 208 3HZ LYS 29 3HZ LYS 29 -12.632 -0.021 8.027 209 H GLU 30 H GLU 30 -8.680 3.169 2.591 210 HA GLU 30 HA GLU 30 -10.053 0.796 1.855 211 1HB GLU 30 1HB GLU 30 -10.373 3.471 1.286 212 2HB GLU 30 2HB GLU 30 -9.636 2.909 -0.201 213 1HG GLU 30 1HG GLU 30 -11.575 0.935 0.485 214 2HG GLU 30 2HG GLU 30 -12.352 2.479 0.777 215 H CYS 31 H CYS 31 -7.006 2.465 0.966 216 HA CYS 31 HA CYS 31 -6.490 0.771 -1.249 217 1HB CYS 31 1HB CYS 31 -5.422 2.782 -1.467 218 2HB CYS 31 2HB CYS 31 -5.017 2.895 0.234 219 H ASN 32 H ASN 32 -6.042 0.685 2.257 220 HA ASN 32 HA ASN 32 -4.169 -1.499 2.016 221 1HB ASN 32 1HB ASN 32 -3.505 -0.937 4.154 222 2HB ASN 32 2HB ASN 32 -4.349 0.565 3.833 223 2HD2 ASN 32 2HD2 ASN 32 -3.890 -1.451 6.173 224 1HD2 ASN 32 1HD2 ASN 32 -5.435 -1.544 6.951 225 H ASN 33 H ASN 33 -7.436 -1.115 1.740 226 HA ASN 33 HA ASN 33 -8.132 -3.334 3.465 227 1HB ASN 33 1HB ASN 33 -9.719 -1.551 3.672 228 2HB ASN 33 2HB ASN 33 -9.714 -1.222 1.950 229 2HD2 ASN 33 2HD2 ASN 33 -11.675 -1.589 1.235 230 1HD2 ASN 33 1HD2 ASN 33 -12.632 -3.009 1.494 231 H ARG 34 H ARG 34 -8.204 -2.159 0.039 232 HA ARG 34 HA ARG 34 -9.495 -4.278 -1.083 233 1HB ARG 34 1HB ARG 34 -8.491 -1.980 -2.056 234 2HB ARG 34 2HB ARG 34 -7.164 -3.015 -2.542 235 1HG ARG 34 1HG ARG 34 -10.043 -3.067 -3.452 236 2HG ARG 34 2HG ARG 34 -8.582 -3.127 -4.417 237 1HD ARG 34 1HD ARG 34 -8.128 -5.441 -3.663 238 2HD ARG 34 2HD ARG 34 -9.501 -5.388 -2.575 239 HE ARG 34 HE ARG 34 -10.433 -4.746 -5.198 240 1HH1 ARG 34 1HH1 ARG 34 -9.136 -7.487 -3.412 241 2HH1 ARG 34 2HH1 ARG 34 -9.952 -8.668 -4.381 242 1HH2 ARG 34 1HH2 ARG 34 -11.510 -6.304 -6.476 243 2HH2 ARG 34 2HH2 ARG 34 -11.312 -7.991 -6.135 244 H GLY 35 H GLY 35 -6.104 -3.909 -0.023 245 1HA GLY 35 1HA GLY 35 -5.545 -6.660 -0.961 246 2HA GLY 35 2HA GLY 35 -5.137 -6.104 0.650 247 H CYS 36 H CYS 36 -3.733 -4.018 0.747 248 HA CYS 36 HA CYS 36 -1.366 -4.515 -0.584 249 1HB CYS 36 1HB CYS 36 -3.177 -3.200 -2.284 250 2HB CYS 36 2HB CYS 36 -2.070 -1.956 -1.737 251 H CYS 37 H CYS 37 -0.497 -1.679 -0.711 252 HA CYS 37 HA CYS 37 -0.909 -0.953 2.099 253 1HB CYS 37 1HB CYS 37 1.599 -1.236 0.516 254 2HB CYS 37 2HB CYS 37 1.509 0.095 1.653 255 H PHE 38 H PHE 38 -0.960 1.374 2.507 256 HA PHE 38 HA PHE 38 -1.415 2.921 0.053 257 1HB PHE 38 1HB PHE 38 -3.467 2.568 1.398 258 2HB PHE 38 2HB PHE 38 -2.619 2.967 2.879 259 HD1 PHE 38 HD1 PHE 38 -3.946 4.379 -0.265 260 HD2 PHE 38 HD2 PHE 38 -2.398 5.220 3.595 261 HE1 PHE 38 HE1 PHE 38 -4.666 6.772 -0.498 262 HE2 PHE 38 HE2 PHE 38 -3.117 7.613 3.363 263 HZ PHE 38 HZ PHE 38 -4.243 8.361 1.319 264 H ASP 39 H ASP 39 -1.247 5.431 0.623 265 HA ASP 39 HA ASP 39 0.412 6.221 2.675 266 1HB ASP 39 1HB ASP 39 2.207 4.991 1.563 267 2HB ASP 39 2HB ASP 39 1.801 5.695 0.011 268 H SER 40 H SER 40 0.588 8.567 2.623 269 HA SER 40 HA SER 40 -0.345 9.809 0.169 270 1HB SER 40 1HB SER 40 -1.845 11.302 1.442 271 2HB SER 40 2HB SER 40 -2.309 9.624 1.652 272 HG SER 40 HG SER 40 -2.171 11.066 3.640 273 H ARG 41 H ARG 41 2.232 9.403 1.941 274 HA ARG 41 HA ARG 41 2.883 11.809 3.080 275 1HB ARG 41 1HB ARG 41 4.106 9.394 2.903 276 2HB ARG 41 2HB ARG 41 5.037 10.231 1.677 277 1HG ARG 41 1HG ARG 41 5.274 12.129 3.502 278 2HG ARG 41 2HG ARG 41 4.800 10.877 4.633 279 1HD ARG 41 1HD ARG 41 7.061 10.444 4.687 280 2HD ARG 41 2HD ARG 41 6.712 9.505 3.250 281 HE ARG 41 HE ARG 41 7.141 12.137 2.346 282 1HH1 ARG 41 1HH1 ARG 41 8.987 9.676 4.053 283 2HH1 ARG 41 2HH1 ARG 41 10.516 10.223 3.450 284 1HH2 ARG 41 1HH2 ARG 41 9.158 12.860 1.550 285 2HH2 ARG 41 2HH2 ARG 41 10.614 12.046 2.017 286 H ILE 42 H ILE 42 3.306 10.581 -0.292 287 HA ILE 42 HA ILE 42 3.486 13.315 -1.211 288 HB ILE 42 HB ILE 42 5.524 12.252 -2.663 289 1HG1 ILE 42 1HG1 ILE 42 7.117 11.253 -1.052 290 2HG1 ILE 42 2HG1 ILE 42 5.858 11.211 0.166 291 1HG2 ILE 42 1HG2 ILE 42 5.171 14.226 -0.555 292 2HG2 ILE 42 2HG2 ILE 42 6.808 13.529 -0.555 293 3HG2 ILE 42 3HG2 ILE 42 6.164 14.287 -2.031 294 1HD1 ILE 42 1HD1 ILE 42 5.135 9.988 -2.464 295 2HD1 ILE 42 2HD1 ILE 42 6.377 9.133 -1.518 296 3HD1 ILE 42 3HD1 ILE 42 4.771 9.433 -0.812 297 HA PRO 43 HA PRO 43 1.096 11.362 -4.252 298 1HB PRO 43 1HB PRO 43 0.714 13.496 -5.916 299 2HB PRO 43 2HB PRO 43 -0.248 13.218 -4.478 300 1HG PRO 43 1HG PRO 43 1.908 15.194 -4.912 301 2HG PRO 43 2HG PRO 43 0.669 15.175 -3.672 302 1HD PRO 43 1HD PRO 43 3.427 14.456 -3.353 303 2HD PRO 43 2HD PRO 43 2.164 14.327 -2.146 304 H GLY 44 H GLY 44 3.969 13.132 -5.096 305 1HA GLY 44 1HA GLY 44 5.622 12.557 -6.523 306 2HA GLY 44 2HA GLY 44 4.332 12.521 -7.708 307 H VAL 45 H VAL 45 4.472 10.288 -4.913 308 HA VAL 45 HA VAL 45 5.348 8.156 -6.718 309 HB VAL 45 HB VAL 45 6.260 7.112 -4.921 310 1HG1 VAL 45 1HG1 VAL 45 6.213 10.045 -4.161 311 2HG1 VAL 45 2HG1 VAL 45 7.202 8.834 -3.309 312 3HG1 VAL 45 3HG1 VAL 45 7.479 9.152 -5.039 313 1HG2 VAL 45 1HG2 VAL 45 4.017 8.332 -3.324 314 2HG2 VAL 45 2HG2 VAL 45 4.457 6.620 -3.536 315 3HG2 VAL 45 3HG2 VAL 45 5.453 7.674 -2.504 316 HA PRO 46 HA PRO 46 1.497 6.199 -6.509 317 1HB PRO 46 1HB PRO 46 2.043 3.545 -6.154 318 2HB PRO 46 2HB PRO 46 2.206 4.359 -7.698 319 1HG PRO 46 1HG PRO 46 4.324 3.494 -5.825 320 2HG PRO 46 2HG PRO 46 4.461 3.909 -7.522 321 1HD PRO 46 1HD PRO 46 5.224 5.540 -5.289 322 2HD PRO 46 2HD PRO 46 5.253 5.999 -6.980 323 H TRP 47 H TRP 47 0.636 7.326 -4.718 324 HA TRP 47 HA TRP 47 0.956 6.974 -2.155 325 1HB TRP 47 1HB TRP 47 -1.518 7.249 -3.785 326 2HB TRP 47 2HB TRP 47 -1.711 6.878 -2.083 327 HD1 TRP 47 HD1 TRP 47 1.154 9.199 -3.214 328 HE1 TRP 47 HE1 TRP 47 0.797 11.659 -2.329 329 HE3 TRP 47 HE3 TRP 47 -3.528 8.423 -1.390 330 HZ2 TRP 47 HZ2 TRP 47 -1.356 12.975 -0.995 331 HZ3 TRP 47 HZ3 TRP 47 -4.688 10.348 -0.311 332 HH2 TRP 47 HH2 TRP 47 -3.677 12.563 -0.099 333 H CYS 48 H CYS 48 -1.072 4.690 -4.140 334 HA CYS 48 HA CYS 48 -0.925 2.781 -1.966 335 1HB CYS 48 1HB CYS 48 -3.045 3.362 -3.295 336 2HB CYS 48 2HB CYS 48 -2.356 2.405 -4.592 337 H PHE 49 H PHE 49 0.825 1.414 -1.926 338 HA PHE 49 HA PHE 49 1.777 0.408 -4.502 339 1HB PHE 49 1HB PHE 49 4.118 0.614 -3.354 340 2HB PHE 49 2HB PHE 49 3.388 2.115 -3.887 341 HD1 PHE 49 HD1 PHE 49 3.567 -0.061 -0.860 342 HD2 PHE 49 HD2 PHE 49 3.274 3.882 -2.401 343 HE1 PHE 49 HE1 PHE 49 3.766 0.862 1.465 344 HE2 PHE 49 HE2 PHE 49 3.472 4.805 -0.075 345 HZ PHE 49 HZ PHE 49 3.716 3.285 1.830 346 H LYS 50 H LYS 50 3.203 -1.589 -4.198 347 HA LYS 50 HA LYS 50 1.823 -3.432 -2.595 348 1HB LYS 50 1HB LYS 50 4.449 -3.599 -4.096 349 2HB LYS 50 2HB LYS 50 3.703 -4.966 -3.292 350 1HG LYS 50 1HG LYS 50 1.548 -4.113 -4.703 351 2HG LYS 50 2HG LYS 50 2.805 -3.483 -5.749 352 1HD LYS 50 1HD LYS 50 3.678 -6.096 -5.121 353 2HD LYS 50 2HD LYS 50 1.948 -6.265 -5.339 354 1HE LYS 50 1HE LYS 50 2.849 -4.544 -7.441 355 2HE LYS 50 2HE LYS 50 4.007 -5.857 -7.356 356 1HZ LYS 50 1HZ LYS 50 1.714 -7.166 -7.134 357 2HZ LYS 50 2HZ LYS 50 1.239 -5.929 -8.089 358 3HZ LYS 50 3HZ LYS 50 2.467 -6.897 -8.558 359 HA PRO 51 HA PRO 51 3.964 -3.245 1.146 360 1HB PRO 51 1HB PRO 51 3.998 -5.841 2.002 361 2HB PRO 51 2HB PRO 51 2.589 -4.806 2.134 362 1HG PRO 51 1HG PRO 51 3.097 -7.012 0.233 363 2HG PRO 51 2HG PRO 51 1.573 -6.263 0.662 364 1HD PRO 51 1HD PRO 51 3.080 -5.833 -1.740 365 2HD PRO 51 2HD PRO 51 1.617 -4.999 -1.258 366 H LEU 52 H LEU 52 5.989 -2.726 1.662 367 HA LEU 52 HA LEU 52 8.110 -3.237 0.156 368 1HB LEU 52 1HB LEU 52 8.369 -1.763 1.929 369 2HB LEU 52 2HB LEU 52 7.826 -2.926 3.122 370 HG LEU 52 HG LEU 52 10.433 -3.216 1.613 371 1HD1 LEU 52 1HD1 LEU 52 10.159 -1.076 3.043 372 2HD1 LEU 52 2HD1 LEU 52 10.253 -2.184 4.434 373 3HD1 LEU 52 3HD1 LEU 52 11.602 -2.092 3.275 374 1HD2 LEU 52 1HD2 LEU 52 8.977 -4.924 3.384 375 2HD2 LEU 52 2HD2 LEU 52 10.548 -5.199 2.593 376 3HD2 LEU 52 3HD2 LEU 52 10.480 -4.412 4.188 377 H GLN 53 H GLN 53 9.509 -4.882 -0.369 378 HA GLN 53 HA GLN 53 8.621 -7.479 0.100 379 1HB GLN 53 1HB GLN 53 10.910 -6.163 -1.276 380 2HB GLN 53 2HB GLN 53 11.225 -7.803 -0.742 381 1HG GLN 53 1HG GLN 53 10.141 -8.509 -2.609 382 2HG GLN 53 2HG GLN 53 8.653 -7.982 -1.847 383 2HE2 GLN 53 2HE2 GLN 53 8.524 -5.410 -1.895 384 1HE2 GLN 53 1HE2 GLN 53 8.673 -4.716 -3.475 385 H GLU 54 H GLU 54 8.453 -7.370 2.523 386 HA GLU 54 HA GLU 54 10.447 -6.927 4.243 387 1HB GLU 54 1HB GLU 54 9.191 -8.129 5.829 388 2HB GLU 54 2HB GLU 54 7.988 -7.693 4.633 389 1HG GLU 54 1HG GLU 54 7.538 -9.975 4.915 390 2HG GLU 54 2HG GLU 54 8.602 -10.011 3.523 391 H ALA 55 H ALA 55 12.486 -7.713 4.544 392 HA ALA 55 HA ALA 55 12.961 -10.538 4.093 393 1HB ALA 55 1HB ALA 55 14.331 -10.336 2.286 394 2HB ALA 55 2HB ALA 55 14.986 -8.773 2.830 395 3HB ALA 55 3HB ALA 55 13.414 -8.838 1.998 396 H GLU 56 H GLU 56 15.183 -11.154 4.929 397 HA GLU 56 HA GLU 56 16.201 -9.180 6.791 398 1HB GLU 56 1HB GLU 56 16.315 -10.925 8.593 399 2HB GLU 56 2HB GLU 56 14.676 -10.486 8.157 400 1HG GLU 56 1HG GLU 56 14.197 -12.612 7.521 401 2HG GLU 56 2HG GLU 56 15.580 -12.662 6.446 402 H CYS 57 H CYS 57 18.448 -9.566 7.435 403 HA CYS 57 HA CYS 57 20.499 -10.355 7.221 404 1HB CYS 57 1HB CYS 57 19.241 -12.652 7.100 405 2HB CYS 57 2HB CYS 57 19.684 -12.597 5.406 406 H THR 58 H THR 58 18.864 -11.230 4.080 407 HA THR 58 HA THR 58 20.777 -10.517 2.331 408 HB THR 58 HB THR 58 18.883 -10.132 0.758 409 HG1 THR 58 HG1 THR 58 17.541 -9.972 3.362 410 1HG2 THR 58 1HG2 THR 58 19.255 -12.483 2.110 411 2HG2 THR 58 2HG2 THR 58 17.613 -12.075 2.663 412 3HG2 THR 58 3HG2 THR 58 17.948 -12.254 0.924 413 H PHE 59 H PHE 59 18.813 -8.297 4.296 414 HA PHE 59 HA PHE 59 20.076 -6.060 2.901 415 1HB PHE 59 1HB PHE 59 17.596 -6.613 4.540 416 2HB PHE 59 2HB PHE 59 18.288 -5.016 4.737 417 HD1 PHE 59 HD1 PHE 59 17.976 -7.169 1.704 418 HD2 PHE 59 HD2 PHE 59 16.904 -3.538 3.621 419 HE1 PHE 59 HE1 PHE 59 16.815 -6.408 -0.387 420 HE2 PHE 59 HE2 PHE 59 15.743 -2.776 1.530 421 HZ PHE 59 HZ PHE 59 15.712 -4.220 -0.449 No H/Q in entry = 421 Start of MODEL 18 1 H GLU 1 H GLU 1 10.852 -16.496 13.901 2 HA GLU 1 HA GLU 1 10.981 -16.478 16.805 3 1HB GLU 1 1HB GLU 1 12.741 -15.198 15.634 4 2HB GLU 1 2HB GLU 1 11.529 -14.271 14.771 5 1HG GLU 1 1HG GLU 1 10.625 -13.575 17.105 6 2HG GLU 1 2HG GLU 1 12.106 -14.242 17.762 7 H GLU 2 H GLU 2 9.529 -14.319 14.259 8 HA GLU 2 HA GLU 2 6.922 -14.822 14.875 9 1HB GLU 2 1HB GLU 2 8.015 -13.567 17.070 10 2HB GLU 2 2HB GLU 2 7.413 -12.188 16.171 11 1HG GLU 2 1HG GLU 2 5.202 -12.779 16.465 12 2HG GLU 2 2HG GLU 2 5.527 -14.494 16.313 13 H TYR 3 H TYR 3 5.533 -12.588 14.314 14 HA TYR 3 HA TYR 3 6.985 -11.192 12.189 15 1HB TYR 3 1HB TYR 3 5.210 -11.777 10.633 16 2HB TYR 3 2HB TYR 3 5.552 -13.277 11.472 17 HD1 TYR 3 HD1 TYR 3 3.992 -14.126 13.215 18 HD2 TYR 3 HD2 TYR 3 3.094 -10.642 10.900 19 HE1 TYR 3 HE1 TYR 3 1.550 -14.291 13.902 20 HE2 TYR 3 HE2 TYR 3 0.654 -10.818 11.594 21 HH TYR 3 HH TYR 3 -0.378 -12.515 14.129 22 H VAL 4 H VAL 4 5.727 -9.240 11.393 23 HA VAL 4 HA VAL 4 3.591 -8.283 12.997 24 HB VAL 4 HB VAL 4 5.288 -7.940 14.642 25 1HG1 VAL 4 1HG1 VAL 4 7.146 -7.928 12.787 26 2HG1 VAL 4 2HG1 VAL 4 6.907 -6.165 12.835 27 3HG1 VAL 4 3HG1 VAL 4 7.394 -7.037 14.308 28 1HG2 VAL 4 1HG2 VAL 4 4.136 -5.588 13.230 29 2HG2 VAL 4 2HG2 VAL 4 3.938 -6.130 14.914 30 3HG2 VAL 4 3HG2 VAL 4 5.411 -5.256 14.427 31 H GLY 5 H GLY 5 2.419 -7.598 11.264 32 1HA GLY 5 1HA GLY 5 3.299 -6.838 8.805 33 2HA GLY 5 2HA GLY 5 3.407 -5.364 9.746 34 H LEU 6 H LEU 6 1.539 -4.215 10.299 35 HA LEU 6 HA LEU 6 -0.965 -5.439 9.369 36 1HB LEU 6 1HB LEU 6 -1.427 -3.393 11.312 37 2HB LEU 6 2HB LEU 6 -1.915 -5.076 11.321 38 HG LEU 6 HG LEU 6 -0.690 -4.628 13.324 39 1HD1 LEU 6 1HD1 LEU 6 -0.005 -6.641 11.516 40 2HD1 LEU 6 2HD1 LEU 6 1.551 -6.023 12.121 41 3HD1 LEU 6 3HD1 LEU 6 0.319 -6.607 13.266 42 1HD2 LEU 6 1HD2 LEU 6 0.763 -2.817 11.768 43 2HD2 LEU 6 2HD2 LEU 6 0.992 -3.187 13.494 44 3HD2 LEU 6 3HD2 LEU 6 1.945 -4.052 12.265 45 H SER 7 H SER 7 1.018 -2.463 9.774 46 HA SER 7 HA SER 7 0.401 -1.514 7.286 47 1HB SER 7 1HB SER 7 -1.019 0.547 8.177 48 2HB SER 7 2HB SER 7 -1.810 -0.943 7.701 49 HG SER 7 HG SER 7 -1.073 -1.180 10.313 50 H ALA 8 H ALA 8 2.705 -1.171 7.522 51 HA ALA 8 HA ALA 8 3.548 1.334 8.034 52 1HB ALA 8 1HB ALA 8 3.156 -0.187 10.544 53 2HB ALA 8 2HB ALA 8 4.758 0.572 10.382 54 3HB ALA 8 3HB ALA 8 3.287 1.568 10.278 55 H ASN 9 H ASN 9 4.934 -1.654 9.546 56 HA ASN 9 HA ASN 9 7.404 -1.351 8.496 57 1HB ASN 9 1HB ASN 9 6.086 -3.266 10.043 58 2HB ASN 9 2HB ASN 9 6.488 -4.185 8.607 59 2HD2 ASN 9 2HD2 ASN 9 8.264 -5.287 8.860 60 1HD2 ASN 9 1HD2 ASN 9 9.721 -4.776 9.644 61 H GLN 10 H GLN 10 4.645 -3.376 7.240 62 HA GLN 10 HA GLN 10 5.991 -4.222 4.962 63 1HB GLN 10 1HB GLN 10 3.723 -4.892 4.162 64 2HB GLN 10 2HB GLN 10 4.028 -5.401 5.811 65 1HG GLN 10 1HG GLN 10 2.898 -2.739 5.888 66 2HG GLN 10 2HG GLN 10 1.903 -3.722 4.831 67 2HE2 GLN 10 2HE2 GLN 10 0.943 -5.624 5.605 68 1HE2 GLN 10 1HE2 GLN 10 0.665 -5.902 7.292 69 H CYS 11 H CYS 11 4.268 -1.245 5.776 70 HA CYS 11 HA CYS 11 4.539 -0.405 2.982 71 1HB CYS 11 1HB CYS 11 2.821 1.172 4.805 72 2HB CYS 11 2HB CYS 11 2.625 0.797 3.104 73 H ALA 12 H ALA 12 6.851 -0.449 4.525 74 HA ALA 12 HA ALA 12 7.138 2.346 5.393 75 1HB ALA 12 1HB ALA 12 9.198 1.295 6.601 76 2HB ALA 12 2HB ALA 12 7.577 1.011 7.277 77 3HB ALA 12 3HB ALA 12 8.374 -0.256 6.315 78 H VAL 13 H VAL 13 7.131 1.922 2.665 79 HA VAL 13 HA VAL 13 9.856 1.458 1.822 80 HB VAL 13 HB VAL 13 7.844 2.504 -0.070 81 1HG1 VAL 13 1HG1 VAL 13 10.119 0.631 -0.006 82 2HG1 VAL 13 2HG1 VAL 13 8.755 0.094 -1.016 83 3HG1 VAL 13 3HG1 VAL 13 9.522 1.671 -1.321 84 1HG2 VAL 13 1HG2 VAL 13 7.370 0.031 1.575 85 2HG2 VAL 13 2HG2 VAL 13 6.217 1.274 1.032 86 3HG2 VAL 13 3HG2 VAL 13 6.849 0.080 -0.127 87 HA PRO 14 HA PRO 14 10.957 5.638 1.832 88 1HB PRO 14 1HB PRO 14 13.011 5.646 0.029 89 2HB PRO 14 2HB PRO 14 13.197 5.121 1.690 90 1HG PRO 14 1HG PRO 14 13.051 3.482 -0.765 91 2HG PRO 14 2HG PRO 14 13.651 3.034 0.819 92 1HD PRO 14 1HD PRO 14 11.126 2.304 -0.329 93 2HD PRO 14 2HD PRO 14 11.678 1.955 1.297 94 H ALA 15 H ALA 15 9.248 4.284 -0.556 95 HA ALA 15 HA ALA 15 7.798 5.358 -1.915 96 1HB ALA 15 1HB ALA 15 9.374 7.887 -2.110 97 2HB ALA 15 2HB ALA 15 7.618 7.643 -1.960 98 3HB ALA 15 3HB ALA 15 8.661 7.508 -0.524 99 H LYS 16 H LYS 16 11.307 5.353 -2.186 100 HA LYS 16 HA LYS 16 11.169 5.556 -5.081 101 1HB LYS 16 1HB LYS 16 13.601 5.611 -4.977 102 2HB LYS 16 2HB LYS 16 12.906 6.808 -3.903 103 1HG LYS 16 1HG LYS 16 14.318 5.905 -2.343 104 2HG LYS 16 2HG LYS 16 13.082 4.673 -2.185 105 1HD LYS 16 1HD LYS 16 15.258 3.590 -2.510 106 2HD LYS 16 2HD LYS 16 14.248 3.281 -3.908 107 1HE LYS 16 1HE LYS 16 15.700 4.345 -5.300 108 2HE LYS 16 2HE LYS 16 15.740 5.769 -4.279 109 1HZ LYS 16 1HZ LYS 16 17.322 4.614 -2.863 110 2HZ LYS 16 2HZ LYS 16 17.311 3.321 -3.860 111 3HZ LYS 16 3HZ LYS 16 17.884 4.755 -4.390 112 H ASP 17 H ASP 17 10.138 3.258 -3.177 113 HA ASP 17 HA ASP 17 11.332 1.191 -4.832 114 1HB ASP 17 1HB ASP 17 11.643 1.486 -1.988 115 2HB ASP 17 2HB ASP 17 10.581 0.115 -2.244 116 H ARG 18 H ARG 18 8.706 2.907 -4.492 117 HA ARG 18 HA ARG 18 6.773 1.025 -3.667 118 1HB ARG 18 1HB ARG 18 6.290 3.527 -5.351 119 2HB ARG 18 2HB ARG 18 5.148 2.734 -4.285 120 1HG ARG 18 1HG ARG 18 7.752 4.023 -3.341 121 2HG ARG 18 2HG ARG 18 6.194 4.825 -3.306 122 1HD ARG 18 1HD ARG 18 5.391 2.715 -1.943 123 2HD ARG 18 2HD ARG 18 7.099 2.407 -1.703 124 HE ARG 18 HE ARG 18 7.100 4.112 -0.120 125 1HH1 ARG 18 1HH1 ARG 18 4.523 4.751 -2.430 126 2HH1 ARG 18 2HH1 ARG 18 3.966 6.171 -1.610 127 1HH2 ARG 18 1HH2 ARG 18 6.365 5.986 0.962 128 2HH2 ARG 18 2HH2 ARG 18 5.021 6.878 0.332 129 H VAL 19 H VAL 19 6.011 -0.671 -4.890 130 HA VAL 19 HA VAL 19 6.678 -0.766 -7.688 131 HB VAL 19 HB VAL 19 5.232 -2.675 -5.841 132 1HG1 VAL 19 1HG1 VAL 19 5.728 -2.728 -8.763 133 2HG1 VAL 19 2HG1 VAL 19 6.132 -4.223 -7.884 134 3HG1 VAL 19 3HG1 VAL 19 4.486 -3.553 -7.790 135 1HG2 VAL 19 1HG2 VAL 19 7.859 -2.013 -5.746 136 2HG2 VAL 19 2HG2 VAL 19 7.226 -3.625 -5.331 137 3HG2 VAL 19 3HG2 VAL 19 7.907 -3.325 -6.949 138 H ASP 20 H ASP 20 4.201 0.613 -5.821 139 HA ASP 20 HA ASP 20 2.257 1.450 -6.287 140 1HB ASP 20 1HB ASP 20 3.138 2.570 -8.196 141 2HB ASP 20 2HB ASP 20 3.334 1.080 -9.096 142 H CYS 21 H CYS 21 0.412 0.254 -5.795 143 HA CYS 21 HA CYS 21 0.132 -2.376 -6.906 144 1HB CYS 21 1HB CYS 21 -0.485 -1.311 -4.492 145 2HB CYS 21 2HB CYS 21 -2.050 -1.220 -5.274 146 H GLY 22 H GLY 22 -0.868 0.899 -7.573 147 1HA GLY 22 1HA GLY 22 -2.196 0.186 -9.961 148 2HA GLY 22 2HA GLY 22 -2.130 1.772 -9.218 149 H TYR 23 H TYR 23 -3.800 2.467 -7.772 150 HA TYR 23 HA TYR 23 -6.231 0.859 -8.023 151 1HB TYR 23 1HB TYR 23 -4.681 1.811 -5.588 152 2HB TYR 23 2HB TYR 23 -6.428 1.905 -5.483 153 HD1 TYR 23 HD1 TYR 23 -7.696 -0.339 -6.219 154 HD2 TYR 23 HD2 TYR 23 -3.642 -0.138 -4.867 155 HE1 TYR 23 HE1 TYR 23 -7.783 -2.796 -5.568 156 HE2 TYR 23 HE2 TYR 23 -3.743 -2.595 -4.221 157 HH TYR 23 HH TYR 23 -5.680 -4.197 -3.539 158 HA PRO 24 HA PRO 24 -7.940 4.755 -8.821 159 1HB PRO 24 1HB PRO 24 -10.598 4.224 -8.471 160 2HB PRO 24 2HB PRO 24 -9.725 3.820 -9.936 161 1HG PRO 24 1HG PRO 24 -10.630 2.031 -7.764 162 2HG PRO 24 2HG PRO 24 -10.149 1.618 -9.398 163 1HD PRO 24 1HD PRO 24 -8.594 1.275 -7.012 164 2HD PRO 24 2HD PRO 24 -8.071 0.971 -8.657 165 H HIS 25 H HIS 25 -10.137 3.606 -6.323 166 HA HIS 25 HA HIS 25 -9.746 6.137 -4.992 167 1HB HIS 25 1HB HIS 25 -11.663 5.548 -3.686 168 2HB HIS 25 2HB HIS 25 -12.009 5.213 -5.371 169 HD1 HIS 25 HD1 HIS 25 -13.764 3.783 -3.421 170 HD2 HIS 25 HD2 HIS 25 -10.077 2.209 -4.655 171 HE1 HIS 25 HE1 HIS 25 -13.885 1.268 -3.004 172 HE2 HIS 25 HE2 HIS 25 -11.612 0.349 -3.832 173 H VAL 26 H VAL 26 -7.529 5.874 -4.302 174 HA VAL 26 HA VAL 26 -7.061 3.706 -2.413 175 HB VAL 26 HB VAL 26 -4.719 4.528 -2.525 176 1HG1 VAL 26 1HG1 VAL 26 -6.054 3.838 -5.164 177 2HG1 VAL 26 2HG1 VAL 26 -4.303 3.755 -4.853 178 3HG1 VAL 26 3HG1 VAL 26 -5.418 2.698 -3.954 179 1HG2 VAL 26 1HG2 VAL 26 -5.702 6.892 -3.356 180 2HG2 VAL 26 2HG2 VAL 26 -4.042 6.353 -3.706 181 3HG2 VAL 26 3HG2 VAL 26 -5.315 6.170 -4.936 182 H THR 27 H THR 27 -6.844 4.005 -0.216 183 HA THR 27 HA THR 27 -6.567 6.692 0.823 184 HB THR 27 HB THR 27 -8.694 6.818 1.849 185 HG1 THR 27 HG1 THR 27 -9.930 4.702 1.991 186 1HG2 THR 27 1HG2 THR 27 -9.165 5.113 -0.653 187 2HG2 THR 27 2HG2 THR 27 -10.443 5.976 0.235 188 3HG2 THR 27 3HG2 THR 27 -9.156 6.892 -0.586 189 HA PRO 28 HA PRO 28 -4.669 4.622 4.072 190 1HB PRO 28 1HB PRO 28 -5.352 6.020 6.319 191 2HB PRO 28 2HB PRO 28 -4.137 6.568 5.181 192 1HG PRO 28 1HG PRO 28 -6.898 7.553 5.562 193 2HG PRO 28 2HG PRO 28 -5.554 8.338 4.757 194 1HD PRO 28 1HD PRO 28 -7.780 7.034 3.504 195 2HD PRO 28 2HD PRO 28 -6.379 7.716 2.703 196 H LYS 29 H LYS 29 -7.035 3.349 3.224 197 HA LYS 29 HA LYS 29 -7.307 1.527 5.300 198 1HB LYS 29 1HB LYS 29 -8.543 3.650 6.215 199 2HB LYS 29 2HB LYS 29 -9.823 3.165 5.122 200 1HG LYS 29 1HG LYS 29 -8.652 0.990 6.823 201 2HG LYS 29 2HG LYS 29 -9.583 2.210 7.669 202 1HD LYS 29 1HD LYS 29 -11.434 1.833 5.904 203 2HD LYS 29 2HD LYS 29 -10.522 0.432 5.377 204 1HE LYS 29 1HE LYS 29 -11.419 0.850 8.267 205 2HE LYS 29 2HE LYS 29 -12.361 -0.045 7.091 206 1HZ LYS 29 1HZ LYS 29 -10.229 -1.356 6.761 207 2HZ LYS 29 2HZ LYS 29 -9.735 -0.711 8.178 208 3HZ LYS 29 3HZ LYS 29 -11.083 -1.631 8.126 209 H GLU 30 H GLU 30 -8.863 3.206 2.521 210 HA GLU 30 HA GLU 30 -10.214 0.848 1.723 211 1HB GLU 30 1HB GLU 30 -11.111 3.088 1.212 212 2HB GLU 30 2HB GLU 30 -9.688 3.475 0.265 213 1HG GLU 30 1HG GLU 30 -10.546 2.449 -1.567 214 2HG GLU 30 2HG GLU 30 -10.796 0.959 -0.679 215 H CYS 31 H CYS 31 -7.163 2.534 0.867 216 HA CYS 31 HA CYS 31 -6.629 0.871 -1.362 217 1HB CYS 31 1HB CYS 31 -5.540 2.871 -1.540 218 2HB CYS 31 2HB CYS 31 -5.169 2.965 0.170 219 H ASN 32 H ASN 32 -6.137 0.761 2.153 220 HA ASN 32 HA ASN 32 -4.303 -1.445 1.883 221 1HB ASN 32 1HB ASN 32 -3.653 -0.927 4.039 222 2HB ASN 32 2HB ASN 32 -4.475 0.589 3.730 223 2HD2 ASN 32 2HD2 ASN 32 -4.058 -1.426 6.062 224 1HD2 ASN 32 1HD2 ASN 32 -5.612 -1.522 6.820 225 H ASN 33 H ASN 33 -7.568 -1.042 1.598 226 HA ASN 33 HA ASN 33 -8.254 -3.326 3.250 227 1HB ASN 33 1HB ASN 33 -9.803 -1.521 3.597 228 2HB ASN 33 2HB ASN 33 -9.864 -1.127 1.891 229 2HD2 ASN 33 2HD2 ASN 33 -11.529 -1.806 0.781 230 1HD2 ASN 33 1HD2 ASN 33 -12.602 -3.104 1.186 231 H ARG 34 H ARG 34 -8.295 -1.975 -0.098 232 HA ARG 34 HA ARG 34 -9.685 -3.995 -1.315 233 1HB ARG 34 1HB ARG 34 -8.566 -1.657 -2.151 234 2HB ARG 34 2HB ARG 34 -7.370 -2.762 -2.796 235 1HG ARG 34 1HG ARG 34 -10.373 -2.996 -3.307 236 2HG ARG 34 2HG ARG 34 -9.245 -2.235 -4.410 237 1HD ARG 34 1HD ARG 34 -7.933 -4.556 -4.189 238 2HD ARG 34 2HD ARG 34 -9.497 -5.161 -3.679 239 HE ARG 34 HE ARG 34 -9.866 -3.602 -6.051 240 1HH1 ARG 34 1HH1 ARG 34 -8.447 -6.654 -5.025 241 2HH1 ARG 34 2HH1 ARG 34 -8.673 -7.422 -6.560 242 1HH2 ARG 34 1HH2 ARG 34 -10.164 -4.615 -8.078 243 2HH2 ARG 34 2HH2 ARG 34 -9.657 -6.255 -8.309 244 H GLY 35 H GLY 35 -6.312 -3.795 -0.206 245 1HA GLY 35 1HA GLY 35 -5.786 -6.460 -1.379 246 2HA GLY 35 2HA GLY 35 -5.411 -6.066 0.287 247 H CYS 36 H CYS 36 -3.911 -4.130 0.661 248 HA CYS 36 HA CYS 36 -1.521 -4.517 -0.550 249 1HB CYS 36 1HB CYS 36 -3.203 -3.184 -2.378 250 2HB CYS 36 2HB CYS 36 -2.101 -1.966 -1.768 251 H CYS 37 H CYS 37 -0.590 -1.724 -0.603 252 HA CYS 37 HA CYS 37 -1.221 -0.977 2.161 253 1HB CYS 37 1HB CYS 37 1.393 -1.214 0.740 254 2HB CYS 37 2HB CYS 37 1.208 0.075 1.912 255 H PHE 38 H PHE 38 -1.178 1.383 2.570 256 HA PHE 38 HA PHE 38 -1.540 2.913 0.090 257 1HB PHE 38 1HB PHE 38 -3.657 2.586 1.337 258 2HB PHE 38 2HB PHE 38 -2.877 2.982 2.855 259 HD1 PHE 38 HD1 PHE 38 -4.044 4.394 -0.351 260 HD2 PHE 38 HD2 PHE 38 -2.664 5.236 3.572 261 HE1 PHE 38 HE1 PHE 38 -4.729 6.793 -0.625 262 HE2 PHE 38 HE2 PHE 38 -3.349 7.635 3.298 263 HZ PHE 38 HZ PHE 38 -4.373 8.385 1.203 264 H ASP 39 H ASP 39 -1.370 5.422 0.647 265 HA ASP 39 HA ASP 39 0.206 6.198 2.775 266 1HB ASP 39 1HB ASP 39 2.059 5.003 1.777 267 2HB ASP 39 2HB ASP 39 1.679 5.609 0.177 268 H SER 40 H SER 40 0.401 8.544 2.737 269 HA SER 40 HA SER 40 -0.468 9.794 0.261 270 1HB SER 40 1HB SER 40 -1.976 11.294 1.487 271 2HB SER 40 2HB SER 40 -2.437 9.626 1.764 272 HG SER 40 HG SER 40 -1.251 9.719 3.811 273 H ARG 41 H ARG 41 2.081 9.355 2.076 274 HA ARG 41 HA ARG 41 2.768 11.741 3.215 275 1HB ARG 41 1HB ARG 41 3.965 9.303 2.977 276 2HB ARG 41 2HB ARG 41 4.921 10.182 1.801 277 1HG ARG 41 1HG ARG 41 4.613 11.826 4.176 278 2HG ARG 41 2HG ARG 41 5.164 10.233 4.658 279 1HD ARG 41 1HD ARG 41 7.245 10.587 3.795 280 2HD ARG 41 2HD ARG 41 6.598 11.148 2.266 281 HE ARG 41 HE ARG 41 6.179 13.184 4.243 282 1HH1 ARG 41 1HH1 ARG 41 8.778 11.678 2.410 283 2HH1 ARG 41 2HH1 ARG 41 9.793 13.080 2.453 284 1HH2 ARG 41 1HH2 ARG 41 7.518 15.035 4.300 285 2HH2 ARG 41 2HH2 ARG 41 9.072 15.003 3.535 286 H ILE 42 H ILE 42 3.380 10.500 -0.144 287 HA ILE 42 HA ILE 42 3.509 13.254 -1.054 288 HB ILE 42 HB ILE 42 5.568 12.168 -2.476 289 1HG1 ILE 42 1HG1 ILE 42 7.133 11.194 -0.825 290 2HG1 ILE 42 2HG1 ILE 42 5.857 11.178 0.376 291 1HG2 ILE 42 1HG2 ILE 42 5.348 14.024 -0.148 292 2HG2 ILE 42 2HG2 ILE 42 6.969 13.514 -0.678 293 3HG2 ILE 42 3HG2 ILE 42 5.876 14.332 -1.820 294 1HD1 ILE 42 1HD1 ILE 42 5.062 9.924 -2.189 295 2HD1 ILE 42 2HD1 ILE 42 6.413 9.104 -1.370 296 3HD1 ILE 42 3HD1 ILE 42 4.864 9.330 -0.523 297 HA PRO 43 HA PRO 43 1.185 11.358 -4.176 298 1HB PRO 43 1HB PRO 43 0.958 13.471 -5.894 299 2HB PRO 43 2HB PRO 43 -0.067 13.265 -4.488 300 1HG PRO 43 1HG PRO 43 2.188 15.137 -4.880 301 2HG PRO 43 2HG PRO 43 0.906 15.198 -3.687 302 1HD PRO 43 1HD PRO 43 3.616 14.367 -3.252 303 2HD PRO 43 2HD PRO 43 2.306 14.318 -2.090 304 H GLY 44 H GLY 44 4.102 13.080 -5.041 305 1HA GLY 44 1HA GLY 44 5.810 12.333 -6.342 306 2HA GLY 44 2HA GLY 44 4.571 12.408 -7.579 307 H VAL 45 H VAL 45 4.886 10.150 -4.759 308 HA VAL 45 HA VAL 45 5.494 7.986 -6.600 309 HB VAL 45 HB VAL 45 6.327 6.866 -4.802 310 1HG1 VAL 45 1HG1 VAL 45 7.170 9.403 -5.033 311 2HG1 VAL 45 2HG1 VAL 45 6.584 9.458 -3.354 312 3HG1 VAL 45 3HG1 VAL 45 7.828 8.276 -3.824 313 1HG2 VAL 45 1HG2 VAL 45 4.326 8.350 -3.075 314 2HG2 VAL 45 2HG2 VAL 45 4.345 6.620 -3.490 315 3HG2 VAL 45 3HG2 VAL 45 5.599 7.292 -2.421 316 HA PRO 46 HA PRO 46 1.543 6.239 -6.430 317 1HB PRO 46 1HB PRO 46 1.957 3.551 -6.160 318 2HB PRO 46 2HB PRO 46 2.150 4.402 -7.679 319 1HG PRO 46 1HG PRO 46 4.235 3.376 -5.852 320 2HG PRO 46 2HG PRO 46 4.381 3.836 -7.536 321 1HD PRO 46 1HD PRO 46 5.240 5.357 -5.261 322 2HD PRO 46 2HD PRO 46 5.281 5.865 -6.937 323 H TRP 47 H TRP 47 0.660 7.301 -4.641 324 HA TRP 47 HA TRP 47 0.982 6.925 -2.082 325 1HB TRP 47 1HB TRP 47 -1.503 7.193 -3.701 326 2HB TRP 47 2HB TRP 47 -1.679 6.828 -1.996 327 HD1 TRP 47 HD1 TRP 47 1.209 9.128 -3.063 328 HE1 TRP 47 HE1 TRP 47 0.835 11.600 -2.220 329 HE3 TRP 47 HE3 TRP 47 -3.553 8.409 -1.431 330 HZ2 TRP 47 HZ2 TRP 47 -1.361 12.948 -0.993 331 HZ3 TRP 47 HZ3 TRP 47 -4.741 10.355 -0.423 332 HH2 TRP 47 HH2 TRP 47 -3.722 12.564 -0.192 333 H CYS 48 H CYS 48 -1.051 4.656 -4.079 334 HA CYS 48 HA CYS 48 -0.928 2.734 -1.924 335 1HB CYS 48 1HB CYS 48 -2.986 3.330 -3.405 336 2HB CYS 48 2HB CYS 48 -2.247 2.264 -4.582 337 H PHE 49 H PHE 49 0.709 1.235 -1.847 338 HA PHE 49 HA PHE 49 1.779 0.268 -4.377 339 1HB PHE 49 1HB PHE 49 4.102 0.529 -3.222 340 2HB PHE 49 2HB PHE 49 3.353 2.019 -3.761 341 HD1 PHE 49 HD1 PHE 49 3.680 -0.139 -0.743 342 HD2 PHE 49 HD2 PHE 49 3.079 3.776 -2.265 343 HE1 PHE 49 HE1 PHE 49 3.857 0.792 1.582 344 HE2 PHE 49 HE2 PHE 49 3.257 4.707 0.060 345 HZ PHE 49 HZ PHE 49 3.644 3.204 1.955 346 H LYS 50 H LYS 50 3.219 -1.708 -4.009 347 HA LYS 50 HA LYS 50 1.835 -3.500 -2.322 348 1HB LYS 50 1HB LYS 50 4.404 -3.779 -3.908 349 2HB LYS 50 2HB LYS 50 3.608 -5.101 -3.079 350 1HG LYS 50 1HG LYS 50 1.483 -4.066 -4.479 351 2HG LYS 50 2HG LYS 50 2.795 -3.655 -5.566 352 1HD LYS 50 1HD LYS 50 3.318 -6.327 -4.737 353 2HD LYS 50 2HD LYS 50 1.593 -6.267 -5.037 354 1HE LYS 50 1HE LYS 50 2.506 -4.882 -7.228 355 2HE LYS 50 2HE LYS 50 3.865 -5.955 -6.957 356 1HZ LYS 50 1HZ LYS 50 2.004 -7.710 -6.752 357 2HZ LYS 50 2HZ LYS 50 1.116 -6.635 -7.602 358 3HZ LYS 50 3HZ LYS 50 2.502 -7.226 -8.230 359 HA PRO 51 HA PRO 51 4.172 -3.279 1.300 360 1HB PRO 51 1HB PRO 51 4.268 -5.863 2.185 361 2HB PRO 51 2HB PRO 51 2.860 -4.837 2.375 362 1HG PRO 51 1HG PRO 51 3.288 -7.064 0.478 363 2HG PRO 51 2HG PRO 51 1.782 -6.319 0.974 364 1HD PRO 51 1HD PRO 51 3.162 -5.910 -1.506 365 2HD PRO 51 2HD PRO 51 1.719 -5.079 -0.961 366 H LEU 52 H LEU 52 6.214 -2.698 1.640 367 HA LEU 52 HA LEU 52 8.259 -3.205 0.066 368 1HB LEU 52 1HB LEU 52 8.453 -1.748 1.932 369 2HB LEU 52 2HB LEU 52 8.236 -3.058 3.076 370 HG LEU 52 HG LEU 52 10.617 -2.799 1.219 371 1HD1 LEU 52 1HD1 LEU 52 10.022 -1.223 3.462 372 2HD1 LEU 52 2HD1 LEU 52 11.222 -2.415 4.017 373 3HD1 LEU 52 3HD1 LEU 52 11.582 -1.375 2.619 374 1HD2 LEU 52 1HD2 LEU 52 9.677 -4.897 3.016 375 2HD2 LEU 52 2HD2 LEU 52 10.938 -4.937 1.759 376 3HD2 LEU 52 3HD2 LEU 52 11.330 -4.356 3.395 377 H GLN 53 H GLN 53 9.753 -4.803 -0.445 378 HA GLN 53 HA GLN 53 8.882 -7.421 -0.067 379 1HB GLN 53 1HB GLN 53 11.168 -6.042 -1.373 380 2HB GLN 53 2HB GLN 53 11.515 -7.682 -0.862 381 1HG GLN 53 1HG GLN 53 10.473 -8.389 -2.751 382 2HG GLN 53 2HG GLN 53 8.962 -7.894 -2.015 383 2HE2 GLN 53 2HE2 GLN 53 8.846 -5.299 -2.020 384 1HE2 GLN 53 1HE2 GLN 53 8.999 -4.594 -3.595 385 H GLU 54 H GLU 54 8.669 -7.360 2.361 386 HA GLU 54 HA GLU 54 10.624 -6.954 4.128 387 1HB GLU 54 1HB GLU 54 9.335 -8.178 5.655 388 2HB GLU 54 2HB GLU 54 8.155 -7.782 4.422 389 1HG GLU 54 1HG GLU 54 8.777 -10.056 3.323 390 2HG GLU 54 2HG GLU 54 9.606 -10.429 4.822 391 H ALA 55 H ALA 55 12.666 -7.723 4.440 392 HA ALA 55 HA ALA 55 13.225 -10.506 4.190 393 1HB ALA 55 1HB ALA 55 13.257 -9.866 1.804 394 2HB ALA 55 2HB ALA 55 14.886 -10.295 2.377 395 3HB ALA 55 3HB ALA 55 14.440 -8.585 2.161 396 H GLU 56 H GLU 56 14.181 -10.595 6.183 397 HA GLU 56 HA GLU 56 15.617 -8.463 7.246 398 1HB GLU 56 1HB GLU 56 15.058 -11.301 7.975 399 2HB GLU 56 2HB GLU 56 16.504 -10.620 8.694 400 1HG GLU 56 1HG GLU 56 14.605 -8.568 8.990 401 2HG GLU 56 2HG GLU 56 13.672 -10.025 9.268 402 H CYS 57 H CYS 57 17.917 -8.212 7.622 403 HA CYS 57 HA CYS 57 19.789 -10.034 6.624 404 1HB CYS 57 1HB CYS 57 19.087 -9.418 4.426 405 2HB CYS 57 2HB CYS 57 19.133 -7.709 4.813 406 H THR 58 H THR 58 19.976 -9.236 9.024 407 HA THR 58 HA THR 58 21.494 -6.712 9.091 408 HB THR 58 HB THR 58 19.396 -6.723 10.433 409 HG1 THR 58 HG1 THR 58 20.566 -6.168 12.395 410 1HG2 THR 58 1HG2 THR 58 20.249 -9.421 11.079 411 2HG2 THR 58 2HG2 THR 58 20.220 -8.457 12.575 412 3HG2 THR 58 3HG2 THR 58 18.754 -8.592 11.575 413 H PHE 59 H PHE 59 23.540 -6.630 9.961 414 HA PHE 59 HA PHE 59 25.572 -7.438 10.310 415 1HB PHE 59 1HB PHE 59 23.725 -8.260 12.358 416 2HB PHE 59 2HB PHE 59 24.746 -9.656 12.074 417 HD1 PHE 59 HD1 PHE 59 25.281 -5.959 12.331 418 HD2 PHE 59 HD2 PHE 59 26.487 -9.839 13.556 419 HE1 PHE 59 HE1 PHE 59 27.066 -4.948 13.777 420 HE2 PHE 59 HE2 PHE 59 28.272 -8.827 15.003 421 HZ PHE 59 HZ PHE 59 28.540 -6.394 15.096 No H/Q in entry = 421 Start of MODEL 19 1 H GLU 1 H GLU 1 6.182 -16.757 16.600 2 HA GLU 1 HA GLU 1 8.673 -16.090 15.378 3 1HB GLU 1 1HB GLU 1 8.598 -18.574 16.566 4 2HB GLU 1 2HB GLU 1 8.023 -18.965 14.958 5 1HG GLU 1 1HG GLU 1 10.176 -17.230 14.465 6 2HG GLU 1 2HG GLU 1 10.726 -18.170 15.837 7 H GLU 2 H GLU 2 6.462 -14.855 14.684 8 HA GLU 2 HA GLU 2 5.949 -15.866 12.086 9 1HB GLU 2 1HB GLU 2 4.239 -16.893 13.955 10 2HB GLU 2 2HB GLU 2 3.384 -15.416 13.554 11 1HG GLU 2 1HG GLU 2 4.395 -16.763 11.141 12 2HG GLU 2 2HG GLU 2 3.362 -17.822 12.081 13 H TYR 3 H TYR 3 6.052 -14.062 10.826 14 HA TYR 3 HA TYR 3 6.347 -11.539 11.604 15 1HB TYR 3 1HB TYR 3 6.486 -12.134 9.261 16 2HB TYR 3 2HB TYR 3 4.913 -12.906 9.279 17 HD1 TYR 3 HD1 TYR 3 6.240 -9.465 10.033 18 HD2 TYR 3 HD2 TYR 3 3.320 -11.835 7.993 19 HE1 TYR 3 HE1 TYR 3 5.188 -7.358 9.076 20 HE2 TYR 3 HE2 TYR 3 2.278 -9.719 7.042 21 HH TYR 3 HH TYR 3 3.008 -7.430 6.527 22 H VAL 4 H VAL 4 5.165 -9.784 12.319 23 HA VAL 4 HA VAL 4 2.387 -9.575 12.038 24 HB VAL 4 HB VAL 4 3.375 -11.084 14.353 25 1HG1 VAL 4 1HG1 VAL 4 1.733 -8.596 14.726 26 2HG1 VAL 4 2HG1 VAL 4 1.407 -10.021 15.742 27 3HG1 VAL 4 3HG1 VAL 4 3.023 -9.275 15.748 28 1HG2 VAL 4 1HG2 VAL 4 1.034 -10.944 12.578 29 2HG2 VAL 4 2HG2 VAL 4 1.772 -12.340 13.401 30 3HG2 VAL 4 3HG2 VAL 4 0.630 -11.292 14.276 31 H GLY 5 H GLY 5 2.848 -7.462 11.414 32 1HA GLY 5 1HA GLY 5 4.664 -5.734 12.552 33 2HA GLY 5 2HA GLY 5 3.214 -5.575 13.522 34 H LEU 6 H LEU 6 1.408 -4.473 12.716 35 HA LEU 6 HA LEU 6 1.147 -3.972 9.919 36 1HB LEU 6 1HB LEU 6 -0.467 -2.327 11.701 37 2HB LEU 6 2HB LEU 6 -0.947 -3.427 10.423 38 HG LEU 6 HG LEU 6 -0.367 -4.090 13.315 39 1HD1 LEU 6 1HD1 LEU 6 -2.603 -3.150 12.704 40 2HD1 LEU 6 2HD1 LEU 6 -2.859 -4.572 11.664 41 3HD1 LEU 6 3HD1 LEU 6 -2.655 -4.778 13.420 42 1HD2 LEU 6 1HD2 LEU 6 0.036 -5.771 11.016 43 2HD2 LEU 6 2HD2 LEU 6 0.289 -6.128 12.741 44 3HD2 LEU 6 3HD2 LEU 6 -1.306 -6.401 12.000 45 H SER 7 H SER 7 0.924 -1.432 12.454 46 HA SER 7 HA SER 7 1.535 0.682 12.280 47 1HB SER 7 1HB SER 7 4.222 0.755 12.128 48 2HB SER 7 2HB SER 7 3.383 0.196 13.562 49 HG SER 7 HG SER 7 4.130 -1.615 11.441 50 H ALA 8 H ALA 8 4.433 -0.030 10.386 51 HA ALA 8 HA ALA 8 3.186 0.616 7.871 52 1HB ALA 8 1HB ALA 8 4.865 2.574 9.436 53 2HB ALA 8 2HB ALA 8 4.940 2.566 7.658 54 3HB ALA 8 3HB ALA 8 3.390 2.860 8.482 55 H ASN 9 H ASN 9 4.844 -1.493 9.402 56 HA ASN 9 HA ASN 9 7.423 -1.462 8.457 57 1HB ASN 9 1HB ASN 9 5.831 -3.180 9.993 58 2HB ASN 9 2HB ASN 9 6.163 -4.155 8.575 59 2HD2 ASN 9 2HD2 ASN 9 7.740 -2.013 10.930 60 1HD2 ASN 9 1HD2 ASN 9 9.241 -2.870 11.043 61 H GLN 10 H GLN 10 4.535 -3.343 7.242 62 HA GLN 10 HA GLN 10 5.798 -4.232 4.944 63 1HB GLN 10 1HB GLN 10 3.423 -4.696 4.160 64 2HB GLN 10 2HB GLN 10 3.835 -5.376 5.721 65 1HG GLN 10 1HG GLN 10 2.787 -2.639 5.982 66 2HG GLN 10 2HG GLN 10 1.652 -3.683 5.150 67 2HE2 GLN 10 2HE2 GLN 10 0.991 -5.656 6.141 68 1HE2 GLN 10 1HE2 GLN 10 0.971 -5.833 7.864 69 H CYS 11 H CYS 11 4.346 -1.147 5.789 70 HA CYS 11 HA CYS 11 4.609 -0.335 2.985 71 1HB CYS 11 1HB CYS 11 2.943 1.370 4.698 72 2HB CYS 11 2HB CYS 11 2.697 0.831 3.049 73 H ALA 12 H ALA 12 6.910 -0.442 4.497 74 HA ALA 12 HA ALA 12 7.265 2.314 5.454 75 1HB ALA 12 1HB ALA 12 9.437 0.655 6.240 76 2HB ALA 12 2HB ALA 12 8.163 1.348 7.271 77 3HB ALA 12 3HB ALA 12 7.948 -0.267 6.555 78 H VAL 13 H VAL 13 7.184 1.907 2.687 79 HA VAL 13 HA VAL 13 9.902 1.509 1.792 80 HB VAL 13 HB VAL 13 7.844 2.540 -0.054 81 1HG1 VAL 13 1HG1 VAL 13 10.125 0.657 -0.036 82 2HG1 VAL 13 2HG1 VAL 13 8.758 0.181 -1.072 83 3HG1 VAL 13 3HG1 VAL 13 9.550 1.757 -1.312 84 1HG2 VAL 13 1HG2 VAL 13 7.406 0.088 1.615 85 2HG2 VAL 13 2HG2 VAL 13 6.233 1.277 0.999 86 3HG2 VAL 13 3HG2 VAL 13 6.924 0.059 -0.099 87 HA PRO 14 HA PRO 14 10.918 5.711 1.863 88 1HB PRO 14 1HB PRO 14 12.992 5.767 0.084 89 2HB PRO 14 2HB PRO 14 13.168 5.239 1.746 90 1HG PRO 14 1HG PRO 14 13.084 3.608 -0.718 91 2HG PRO 14 2HG PRO 14 13.674 3.166 0.872 92 1HD PRO 14 1HD PRO 14 11.177 2.391 -0.309 93 2HD PRO 14 2HD PRO 14 11.717 2.046 1.322 94 H ALA 15 H ALA 15 9.275 4.329 -0.561 95 HA ALA 15 HA ALA 15 7.812 5.389 -1.923 96 1HB ALA 15 1HB ALA 15 9.401 7.931 -2.046 97 2HB ALA 15 2HB ALA 15 7.638 7.688 -2.038 98 3HB ALA 15 3HB ALA 15 8.563 7.540 -0.525 99 H LYS 16 H LYS 16 11.295 5.283 -2.153 100 HA LYS 16 HA LYS 16 11.207 5.555 -5.049 101 1HB LYS 16 1HB LYS 16 13.645 5.545 -4.905 102 2HB LYS 16 2HB LYS 16 12.953 6.763 -3.853 103 1HG LYS 16 1HG LYS 16 14.661 5.654 -2.566 104 2HG LYS 16 2HG LYS 16 13.127 5.093 -1.930 105 1HD LYS 16 1HD LYS 16 13.371 2.947 -2.826 106 2HD LYS 16 2HD LYS 16 14.346 3.498 -4.173 107 1HE LYS 16 1HE LYS 16 16.205 2.871 -3.035 108 2HE LYS 16 2HE LYS 16 15.870 4.123 -1.855 109 1HZ LYS 16 1HZ LYS 16 14.330 1.706 -1.588 110 2HZ LYS 16 2HZ LYS 16 15.924 1.568 -1.263 111 3HZ LYS 16 3HZ LYS 16 15.012 2.640 -0.435 112 H ASP 17 H ASP 17 10.161 3.245 -3.124 113 HA ASP 17 HA ASP 17 11.314 1.178 -4.812 114 1HB ASP 17 1HB ASP 17 11.570 1.440 -1.945 115 2HB ASP 17 2HB ASP 17 10.548 0.054 -2.266 116 H ARG 18 H ARG 18 8.714 2.928 -4.485 117 HA ARG 18 HA ARG 18 6.746 1.080 -3.674 118 1HB ARG 18 1HB ARG 18 6.313 3.582 -5.369 119 2HB ARG 18 2HB ARG 18 5.154 2.813 -4.304 120 1HG ARG 18 1HG ARG 18 7.769 4.087 -3.370 121 2HG ARG 18 2HG ARG 18 6.209 4.882 -3.314 122 1HD ARG 18 1HD ARG 18 5.438 2.748 -1.957 123 2HD ARG 18 2HD ARG 18 7.153 2.474 -1.722 124 HE ARG 18 HE ARG 18 7.120 4.175 -0.135 125 1HH1 ARG 18 1HH1 ARG 18 4.540 4.777 -2.452 126 2HH1 ARG 18 2HH1 ARG 18 3.961 6.189 -1.633 127 1HH2 ARG 18 1HH2 ARG 18 6.356 6.038 0.945 128 2HH2 ARG 18 2HH2 ARG 18 5.001 6.911 0.312 129 H VAL 19 H VAL 19 6.059 -0.647 -4.899 130 HA VAL 19 HA VAL 19 6.696 -0.717 -7.701 131 HB VAL 19 HB VAL 19 5.088 -2.720 -6.127 132 1HG1 VAL 19 1HG1 VAL 19 6.663 -2.722 -8.681 133 2HG1 VAL 19 2HG1 VAL 19 6.550 -4.223 -7.731 134 3HG1 VAL 19 3HG1 VAL 19 5.070 -3.430 -8.322 135 1HG2 VAL 19 1HG2 VAL 19 7.879 -1.919 -5.728 136 2HG2 VAL 19 2HG2 VAL 19 6.819 -2.931 -4.717 137 3HG2 VAL 19 3HG2 VAL 19 7.694 -3.653 -6.088 138 H ASP 20 H ASP 20 4.220 0.634 -5.823 139 HA ASP 20 HA ASP 20 2.261 1.445 -6.273 140 1HB ASP 20 1HB ASP 20 3.114 2.569 -8.193 141 2HB ASP 20 2HB ASP 20 3.317 1.078 -9.091 142 H CYS 21 H CYS 21 0.416 0.249 -5.786 143 HA CYS 21 HA CYS 21 0.164 -2.396 -6.872 144 1HB CYS 21 1HB CYS 21 -0.462 -1.311 -4.463 145 2HB CYS 21 2HB CYS 21 -2.030 -1.264 -5.245 146 H GLY 22 H GLY 22 -0.833 0.855 -7.595 147 1HA GLY 22 1HA GLY 22 -2.191 0.099 -9.952 148 2HA GLY 22 2HA GLY 22 -2.105 1.700 -9.247 149 H TYR 23 H TYR 23 -3.753 2.440 -7.794 150 HA TYR 23 HA TYR 23 -6.206 0.867 -8.008 151 1HB TYR 23 1HB TYR 23 -4.632 1.809 -5.579 152 2HB TYR 23 2HB TYR 23 -6.379 1.881 -5.465 153 HD1 TYR 23 HD1 TYR 23 -7.608 -0.386 -6.248 154 HD2 TYR 23 HD2 TYR 23 -3.579 -0.119 -4.833 155 HE1 TYR 23 HE1 TYR 23 -7.662 -2.846 -5.609 156 HE2 TYR 23 HE2 TYR 23 -3.646 -2.580 -4.200 157 HH TYR 23 HH TYR 23 -5.539 -4.221 -3.558 158 HA PRO 24 HA PRO 24 -7.834 4.801 -8.796 159 1HB PRO 24 1HB PRO 24 -10.504 4.297 -8.507 160 2HB PRO 24 2HB PRO 24 -9.607 3.907 -9.961 161 1HG PRO 24 1HG PRO 24 -10.576 2.092 -7.839 162 2HG PRO 24 2HG PRO 24 -10.068 1.702 -9.470 163 1HD PRO 24 1HD PRO 24 -8.563 1.298 -7.062 164 2HD PRO 24 2HD PRO 24 -8.013 1.016 -8.701 165 H HIS 25 H HIS 25 -10.064 3.612 -6.343 166 HA HIS 25 HA HIS 25 -9.696 6.126 -4.971 167 1HB HIS 25 1HB HIS 25 -11.618 5.491 -3.676 168 2HB HIS 25 2HB HIS 25 -11.953 5.223 -5.375 169 HD1 HIS 25 HD1 HIS 25 -13.752 3.713 -3.573 170 HD2 HIS 25 HD2 HIS 25 -10.002 2.198 -4.685 171 HE1 HIS 25 HE1 HIS 25 -13.872 1.187 -3.232 172 HE2 HIS 25 HE2 HIS 25 -11.557 0.306 -3.984 173 H VAL 26 H VAL 26 -7.497 5.881 -4.243 174 HA VAL 26 HA VAL 26 -7.048 3.687 -2.373 175 HB VAL 26 HB VAL 26 -4.698 4.477 -2.474 176 1HG1 VAL 26 1HG1 VAL 26 -6.043 3.812 -5.114 177 2HG1 VAL 26 2HG1 VAL 26 -4.289 3.731 -4.821 178 3HG1 VAL 26 3HG1 VAL 26 -5.392 2.666 -3.917 179 1HG2 VAL 26 1HG2 VAL 26 -5.689 6.854 -3.337 180 2HG2 VAL 26 2HG2 VAL 26 -4.007 6.327 -3.582 181 3HG2 VAL 26 3HG2 VAL 26 -5.202 6.126 -4.886 182 H THR 27 H THR 27 -6.842 3.983 -0.174 183 HA THR 27 HA THR 27 -6.545 6.668 0.866 184 HB THR 27 HB THR 27 -8.678 6.827 1.859 185 HG1 THR 27 HG1 THR 27 -9.850 4.835 2.308 186 1HG2 THR 27 1HG2 THR 27 -9.135 5.069 -0.608 187 2HG2 THR 27 2HG2 THR 27 -10.429 5.923 0.267 188 3HG2 THR 27 3HG2 THR 27 -9.156 6.848 -0.565 189 HA PRO 28 HA PRO 28 -4.689 4.587 4.132 190 1HB PRO 28 1HB PRO 28 -5.401 5.967 6.381 191 2HB PRO 28 2HB PRO 28 -4.174 6.526 5.261 192 1HG PRO 28 1HG PRO 28 -6.942 7.501 5.617 193 2HG PRO 28 2HG PRO 28 -5.591 8.295 4.833 194 1HD PRO 28 1HD PRO 28 -7.799 6.994 3.545 195 2HD PRO 28 2HD PRO 28 -6.391 7.686 2.765 196 H LYS 29 H LYS 29 -7.031 3.306 3.248 197 HA LYS 29 HA LYS 29 -7.326 1.473 5.311 198 1HB LYS 29 1HB LYS 29 -8.581 3.579 6.228 199 2HB LYS 29 2HB LYS 29 -9.842 3.111 5.105 200 1HG LYS 29 1HG LYS 29 -8.624 1.158 7.106 201 2HG LYS 29 2HG LYS 29 -10.021 2.145 7.486 202 1HD LYS 29 1HD LYS 29 -10.937 1.137 5.167 203 2HD LYS 29 2HD LYS 29 -9.783 -0.134 5.521 204 1HE LYS 29 1HE LYS 29 -11.087 -0.998 7.181 205 2HE LYS 29 2HE LYS 29 -11.340 0.575 7.911 206 1HZ LYS 29 1HZ LYS 29 -12.718 0.313 5.452 207 2HZ LYS 29 2HZ LYS 29 -13.169 -0.839 6.518 208 3HZ LYS 29 3HZ LYS 29 -13.292 0.739 6.920 209 H GLU 30 H GLU 30 -8.933 3.163 2.557 210 HA GLU 30 HA GLU 30 -10.231 0.801 1.718 211 1HB GLU 30 1HB GLU 30 -11.198 2.966 1.179 212 2HB GLU 30 2HB GLU 30 -9.734 3.485 0.367 213 1HG GLU 30 1HG GLU 30 -10.167 2.229 -1.538 214 2HG GLU 30 2HG GLU 30 -10.967 0.947 -0.649 215 H CYS 31 H CYS 31 -7.164 2.481 0.941 216 HA CYS 31 HA CYS 31 -6.608 0.836 -1.305 217 1HB CYS 31 1HB CYS 31 -5.540 2.850 -1.474 218 2HB CYS 31 2HB CYS 31 -5.174 2.942 0.237 219 H ASN 32 H ASN 32 -6.198 0.704 2.208 220 HA ASN 32 HA ASN 32 -4.299 -1.450 1.976 221 1HB ASN 32 1HB ASN 32 -5.579 -0.436 4.553 222 2HB ASN 32 2HB ASN 32 -4.030 -1.235 4.368 223 2HD2 ASN 32 2HD2 ASN 32 -2.381 0.043 4.625 224 1HD2 ASN 32 1HD2 ASN 32 -2.253 1.710 4.172 225 H ASN 33 H ASN 33 -7.599 -1.073 1.678 226 HA ASN 33 HA ASN 33 -8.260 -3.424 3.235 227 1HB ASN 33 1HB ASN 33 -9.820 -1.586 3.546 228 2HB ASN 33 2HB ASN 33 -9.928 -1.290 1.822 229 2HD2 ASN 33 2HD2 ASN 33 -11.498 -2.537 4.384 230 1HD2 ASN 33 1HD2 ASN 33 -12.548 -3.689 3.629 231 H ARG 34 H ARG 34 -8.347 -1.991 -0.089 232 HA ARG 34 HA ARG 34 -9.636 -4.003 -1.381 233 1HB ARG 34 1HB ARG 34 -8.506 -1.645 -2.141 234 2HB ARG 34 2HB ARG 34 -7.285 -2.732 -2.771 235 1HG ARG 34 1HG ARG 34 -10.272 -2.930 -3.384 236 2HG ARG 34 2HG ARG 34 -9.081 -2.209 -4.449 237 1HD ARG 34 1HD ARG 34 -7.834 -4.527 -4.242 238 2HD ARG 34 2HD ARG 34 -9.372 -5.127 -3.654 239 HE ARG 34 HE ARG 34 -9.887 -3.649 -6.033 240 1HH1 ARG 34 1HH1 ARG 34 -8.250 -6.603 -5.046 241 2HH1 ARG 34 2HH1 ARG 34 -8.495 -7.398 -6.566 242 1HH2 ARG 34 1HH2 ARG 34 -10.211 -4.697 -8.038 243 2HH2 ARG 34 2HH2 ARG 34 -9.618 -6.306 -8.279 244 H GLY 35 H GLY 35 -6.286 -3.802 -0.192 245 1HA GLY 35 1HA GLY 35 -5.732 -6.458 -1.375 246 2HA GLY 35 2HA GLY 35 -5.376 -6.066 0.295 247 H CYS 36 H CYS 36 -3.881 -4.136 0.695 248 HA CYS 36 HA CYS 36 -1.480 -4.505 -0.488 249 1HB CYS 36 1HB CYS 36 -3.148 -3.174 -2.336 250 2HB CYS 36 2HB CYS 36 -2.044 -1.961 -1.719 251 H CYS 37 H CYS 37 -0.553 -1.714 -0.531 252 HA CYS 37 HA CYS 37 -1.227 -0.962 2.221 253 1HB CYS 37 1HB CYS 37 1.395 -1.272 0.860 254 2HB CYS 37 2HB CYS 37 1.224 0.109 1.925 255 H PHE 38 H PHE 38 -1.188 1.401 2.627 256 HA PHE 38 HA PHE 38 -1.547 2.919 0.138 257 1HB PHE 38 1HB PHE 38 -3.653 2.601 1.414 258 2HB PHE 38 2HB PHE 38 -2.856 3.025 2.916 259 HD1 PHE 38 HD1 PHE 38 -4.038 4.383 -0.311 260 HD2 PHE 38 HD2 PHE 38 -2.659 5.287 3.600 261 HE1 PHE 38 HE1 PHE 38 -4.728 6.777 -0.620 262 HE2 PHE 38 HE2 PHE 38 -3.349 7.680 3.290 263 HZ PHE 38 HZ PHE 38 -4.375 8.396 1.184 264 H ASP 39 H ASP 39 -1.359 5.430 0.672 265 HA ASP 39 HA ASP 39 0.234 6.218 2.782 266 1HB ASP 39 1HB ASP 39 2.068 4.992 1.772 267 2HB ASP 39 2HB ASP 39 1.691 5.612 0.176 268 H SER 40 H SER 40 0.379 8.555 2.744 269 HA SER 40 HA SER 40 -0.468 9.790 0.251 270 1HB SER 40 1HB SER 40 -1.968 11.308 1.479 271 2HB SER 40 2HB SER 40 -2.444 9.641 1.733 272 HG SER 40 HG SER 40 -0.994 11.358 3.553 273 H ARG 41 H ARG 41 2.097 9.365 2.013 274 HA ARG 41 HA ARG 41 2.782 11.750 3.165 275 1HB ARG 41 1HB ARG 41 3.983 9.324 2.936 276 2HB ARG 41 2HB ARG 41 4.915 10.181 1.725 277 1HG ARG 41 1HG ARG 41 5.162 12.040 3.593 278 2HG ARG 41 2HG ARG 41 4.698 10.758 4.694 279 1HD ARG 41 1HD ARG 41 6.574 9.333 3.766 280 2HD ARG 41 2HD ARG 41 7.063 10.680 2.758 281 HE ARG 41 HE ARG 41 7.439 10.438 5.662 282 1HH1 ARG 41 1HH1 ARG 41 7.346 12.640 2.919 283 2HH1 ARG 41 2HH1 ARG 41 8.291 13.861 3.704 284 1HH2 ARG 41 1HH2 ARG 41 8.686 12.049 6.698 285 2HH2 ARG 41 2HH2 ARG 41 9.059 13.522 5.868 286 H ILE 42 H ILE 42 3.420 10.510 -0.192 287 HA ILE 42 HA ILE 42 3.515 13.269 -1.103 288 HB ILE 42 HB ILE 42 5.570 12.181 -2.536 289 1HG1 ILE 42 1HG1 ILE 42 7.148 11.234 -0.877 290 2HG1 ILE 42 2HG1 ILE 42 5.872 11.215 0.324 291 1HG2 ILE 42 1HG2 ILE 42 5.184 14.436 -1.240 292 2HG2 ILE 42 2HG2 ILE 42 6.185 13.646 0.003 293 3HG2 ILE 42 3HG2 ILE 42 6.827 13.880 -1.641 294 1HD1 ILE 42 1HD1 ILE 42 5.073 9.942 -2.226 295 2HD1 ILE 42 2HD1 ILE 42 6.448 9.141 -1.427 296 3HD1 ILE 42 3HD1 ILE 42 4.908 9.345 -0.557 297 HA PRO 43 HA PRO 43 1.183 11.371 -4.217 298 1HB PRO 43 1HB PRO 43 0.946 13.484 -5.935 299 2HB PRO 43 2HB PRO 43 -0.073 13.277 -4.524 300 1HG PRO 43 1HG PRO 43 2.178 15.151 -4.925 301 2HG PRO 43 2HG PRO 43 0.900 15.210 -3.727 302 1HD PRO 43 1HD PRO 43 3.614 14.383 -3.303 303 2HD PRO 43 2HD PRO 43 2.308 14.332 -2.135 304 H GLY 44 H GLY 44 4.103 13.084 -5.081 305 1HA GLY 44 1HA GLY 44 5.803 12.346 -6.394 306 2HA GLY 44 2HA GLY 44 4.559 12.415 -7.626 307 H VAL 45 H VAL 45 4.850 10.163 -4.803 308 HA VAL 45 HA VAL 45 5.466 7.995 -6.643 309 HB VAL 45 HB VAL 45 6.317 6.881 -4.850 310 1HG1 VAL 45 1HG1 VAL 45 7.137 9.435 -5.088 311 2HG1 VAL 45 2HG1 VAL 45 6.591 9.462 -3.394 312 3HG1 VAL 45 3HG1 VAL 45 7.832 8.295 -3.910 313 1HG2 VAL 45 1HG2 VAL 45 4.334 8.369 -3.104 314 2HG2 VAL 45 2HG2 VAL 45 4.341 6.639 -3.523 315 3HG2 VAL 45 3HG2 VAL 45 5.609 7.303 -2.465 316 HA PRO 46 HA PRO 46 1.517 6.246 -6.434 317 1HB PRO 46 1HB PRO 46 1.936 3.559 -6.167 318 2HB PRO 46 2HB PRO 46 2.114 4.410 -7.689 319 1HG PRO 46 1HG PRO 46 4.217 3.386 -5.881 320 2HG PRO 46 2HG PRO 46 4.346 3.845 -7.568 321 1HD PRO 46 1HD PRO 46 5.226 5.368 -5.302 322 2HD PRO 46 2HD PRO 46 5.250 5.876 -6.979 323 H TRP 47 H TRP 47 0.640 7.303 -4.642 324 HA TRP 47 HA TRP 47 0.992 6.930 -2.084 325 1HB TRP 47 1HB TRP 47 -1.513 7.189 -3.677 326 2HB TRP 47 2HB TRP 47 -1.665 6.837 -1.967 327 HD1 TRP 47 HD1 TRP 47 1.211 9.127 -3.079 328 HE1 TRP 47 HE1 TRP 47 0.844 11.607 -2.254 329 HE3 TRP 47 HE3 TRP 47 -3.538 8.424 -1.403 330 HZ2 TRP 47 HZ2 TRP 47 -1.342 12.966 -1.021 331 HZ3 TRP 47 HZ3 TRP 47 -4.718 10.379 -0.402 332 HH2 TRP 47 HH2 TRP 47 -3.696 12.590 -0.198 333 H CYS 48 H CYS 48 -1.066 4.662 -4.057 334 HA CYS 48 HA CYS 48 -0.908 2.737 -1.905 335 1HB CYS 48 1HB CYS 48 -2.995 3.338 -3.339 336 2HB CYS 48 2HB CYS 48 -2.281 2.278 -4.538 337 H PHE 49 H PHE 49 0.778 1.293 -1.855 338 HA PHE 49 HA PHE 49 1.790 0.325 -4.415 339 1HB PHE 49 1HB PHE 49 4.123 0.554 -3.262 340 2HB PHE 49 2HB PHE 49 3.384 2.050 -3.796 341 HD1 PHE 49 HD1 PHE 49 3.731 -0.115 -0.788 342 HD2 PHE 49 HD2 PHE 49 3.094 3.802 -2.291 343 HE1 PHE 49 HE1 PHE 49 3.918 0.808 1.539 344 HE2 PHE 49 HE2 PHE 49 3.281 4.725 0.036 345 HZ PHE 49 HZ PHE 49 3.691 3.217 1.923 346 H LYS 50 H LYS 50 3.250 -1.653 -4.075 347 HA LYS 50 HA LYS 50 1.864 -3.483 -2.439 348 1HB LYS 50 1HB LYS 50 4.368 -3.624 -4.119 349 2HB LYS 50 2HB LYS 50 3.842 -4.984 -3.147 350 1HG LYS 50 1HG LYS 50 1.494 -4.118 -4.465 351 2HG LYS 50 2HG LYS 50 2.748 -3.979 -5.681 352 1HD LYS 50 1HD LYS 50 3.200 -6.460 -4.313 353 2HD LYS 50 2HD LYS 50 1.482 -6.378 -4.649 354 1HE LYS 50 1HE LYS 50 2.611 -5.461 -7.039 355 2HE LYS 50 2HE LYS 50 3.751 -6.690 -6.527 356 1HZ LYS 50 1HZ LYS 50 1.484 -7.938 -6.080 357 2HZ LYS 50 2HZ LYS 50 0.999 -6.980 -7.311 358 3HZ LYS 50 3HZ LYS 50 2.256 -8.002 -7.518 359 HA PRO 51 HA PRO 51 4.126 -3.303 1.232 360 1HB PRO 51 1HB PRO 51 4.232 -5.901 2.073 361 2HB PRO 51 2HB PRO 51 2.810 -4.893 2.253 362 1HG PRO 51 1HG PRO 51 3.299 -7.081 0.327 363 2HG PRO 51 2HG PRO 51 1.775 -6.361 0.806 364 1HD PRO 51 1HD PRO 51 3.200 -5.894 -1.639 365 2HD PRO 51 2HD PRO 51 1.738 -5.088 -1.108 366 H LEU 52 H LEU 52 6.154 -2.682 1.582 367 HA LEU 52 HA LEU 52 8.230 -3.170 0.044 368 1HB LEU 52 1HB LEU 52 8.420 -1.698 1.876 369 2HB LEU 52 2HB LEU 52 8.121 -2.969 3.044 370 HG LEU 52 HG LEU 52 10.586 -2.827 1.288 371 1HD1 LEU 52 1HD1 LEU 52 10.030 -1.028 3.237 372 2HD1 LEU 52 2HD1 LEU 52 10.839 -2.299 4.185 373 3HD1 LEU 52 3HD1 LEU 52 11.671 -1.558 2.797 374 1HD2 LEU 52 1HD2 LEU 52 9.514 -4.841 3.098 375 2HD2 LEU 52 2HD2 LEU 52 10.847 -4.944 1.923 376 3HD2 LEU 52 3HD2 LEU 52 11.151 -4.318 3.562 377 H GLN 53 H GLN 53 9.744 -4.753 -0.445 378 HA GLN 53 HA GLN 53 8.920 -7.367 -0.162 379 1HB GLN 53 1HB GLN 53 11.292 -5.933 -1.211 380 2HB GLN 53 2HB GLN 53 11.644 -7.562 -0.668 381 1HG GLN 53 1HG GLN 53 10.864 -8.247 -2.694 382 2HG GLN 53 2HG GLN 53 9.262 -7.927 -2.059 383 2HE2 GLN 53 2HE2 GLN 53 8.861 -5.377 -2.004 384 1HE2 GLN 53 1HE2 GLN 53 9.070 -4.592 -3.534 385 H GLU 54 H GLU 54 8.464 -7.689 2.121 386 HA GLU 54 HA GLU 54 10.175 -7.212 4.161 387 1HB GLU 54 1HB GLU 54 8.791 -8.601 5.457 388 2HB GLU 54 2HB GLU 54 7.735 -8.138 4.138 389 1HG GLU 54 1HG GLU 54 8.556 -10.304 2.945 390 2HG GLU 54 2HG GLU 54 9.217 -10.773 4.499 391 H ALA 55 H ALA 55 12.241 -7.861 4.561 392 HA ALA 55 HA ALA 55 12.933 -10.632 4.044 393 1HB ALA 55 1HB ALA 55 15.115 -9.700 2.950 394 2HB ALA 55 2HB ALA 55 13.637 -9.806 1.963 395 3HB ALA 55 3HB ALA 55 14.143 -8.241 2.644 396 H GLU 56 H GLU 56 14.793 -11.320 5.290 397 HA GLU 56 HA GLU 56 14.947 -9.954 7.735 398 1HB GLU 56 1HB GLU 56 16.297 -12.375 6.532 399 2HB GLU 56 2HB GLU 56 16.915 -11.716 8.034 400 1HG GLU 56 1HG GLU 56 14.359 -11.761 8.777 401 2HG GLU 56 2HG GLU 56 14.193 -12.922 7.475 402 H CYS 57 H CYS 57 15.821 -7.875 7.577 403 HA CYS 57 HA CYS 57 18.662 -7.819 7.015 404 1HB CYS 57 1HB CYS 57 16.779 -6.895 5.117 405 2HB CYS 57 2HB CYS 57 17.480 -5.467 5.853 406 H THR 58 H THR 58 15.745 -5.736 7.691 407 HA THR 58 HA THR 58 15.438 -4.079 9.160 408 HB THR 58 HB THR 58 16.860 -6.219 10.818 409 HG1 THR 58 HG1 THR 58 14.797 -6.798 9.938 410 1HG2 THR 58 1HG2 THR 58 16.678 -3.718 11.800 411 2HG2 THR 58 2HG2 THR 58 14.969 -4.175 11.996 412 3HG2 THR 58 3HG2 THR 58 16.241 -5.123 12.802 413 H PHE 59 H PHE 59 16.842 -2.683 7.813 414 HA PHE 59 HA PHE 59 18.520 -1.270 7.531 415 1HB PHE 59 1HB PHE 59 17.364 -0.935 10.027 416 2HB PHE 59 2HB PHE 59 19.027 -1.202 10.509 417 HD1 PHE 59 HD1 PHE 59 20.815 0.278 9.318 418 HD2 PHE 59 HD2 PHE 59 16.675 1.202 9.433 419 HE1 PHE 59 HE1 PHE 59 21.340 2.686 8.846 420 HE2 PHE 59 HE2 PHE 59 17.200 3.611 8.961 421 HZ PHE 59 HZ PHE 59 19.526 4.324 8.673 No H/Q in entry = 421 Start of MODEL 20 1 H GLU 1 H GLU 1 2.611 -8.654 19.213 2 HA GLU 1 HA GLU 1 4.907 -8.607 20.700 3 1HB GLU 1 1HB GLU 1 2.665 -10.224 20.518 4 2HB GLU 1 2HB GLU 1 3.927 -11.318 19.987 5 1HG GLU 1 1HG GLU 1 5.115 -10.080 22.184 6 2HG GLU 1 2HG GLU 1 3.436 -10.173 22.679 7 H GLU 2 H GLU 2 6.888 -8.290 19.696 8 HA GLU 2 HA GLU 2 8.521 -8.542 18.247 9 1HB GLU 2 1HB GLU 2 9.463 -10.898 18.223 10 2HB GLU 2 2HB GLU 2 9.131 -10.257 19.819 11 1HG GLU 2 1HG GLU 2 6.995 -11.489 19.922 12 2HG GLU 2 2HG GLU 2 7.196 -12.043 18.271 13 H TYR 3 H TYR 3 5.988 -8.313 16.898 14 HA TYR 3 HA TYR 3 6.746 -9.352 14.359 15 1HB TYR 3 1HB TYR 3 5.338 -11.089 16.016 16 2HB TYR 3 2HB TYR 3 4.001 -10.227 15.280 17 HD1 TYR 3 HD1 TYR 3 7.175 -11.967 14.276 18 HD2 TYR 3 HD2 TYR 3 3.109 -11.059 13.302 19 HE1 TYR 3 HE1 TYR 3 7.321 -13.471 12.232 20 HE2 TYR 3 HE2 TYR 3 3.269 -12.567 11.261 21 HH TYR 3 HH TYR 3 6.154 -13.601 10.008 22 H VAL 4 H VAL 4 5.241 -8.611 12.625 23 HA VAL 4 HA VAL 4 3.818 -6.211 13.537 24 HB VAL 4 HB VAL 4 4.269 -5.271 11.395 25 1HG1 VAL 4 1HG1 VAL 4 6.186 -5.728 13.262 26 2HG1 VAL 4 2HG1 VAL 4 6.952 -6.458 11.831 27 3HG1 VAL 4 3HG1 VAL 4 6.439 -4.754 11.794 28 1HG2 VAL 4 1HG2 VAL 4 4.513 -8.005 10.564 29 2HG2 VAL 4 2HG2 VAL 4 4.433 -6.533 9.566 30 3HG2 VAL 4 3HG2 VAL 4 6.008 -7.138 10.135 31 H GLY 5 H GLY 5 2.745 -6.238 10.592 32 1HA GLY 5 1HA GLY 5 0.577 -8.185 11.115 33 2HA GLY 5 2HA GLY 5 1.245 -7.889 9.523 34 H LEU 6 H LEU 6 1.440 -4.920 11.022 35 HA LEU 6 HA LEU 6 -1.263 -4.187 10.129 36 1HB LEU 6 1HB LEU 6 -1.145 -2.351 11.756 37 2HB LEU 6 2HB LEU 6 -1.135 -3.943 12.488 38 HG LEU 6 HG LEU 6 1.582 -3.076 12.078 39 1HD1 LEU 6 1HD1 LEU 6 -0.299 -0.991 12.992 40 2HD1 LEU 6 2HD1 LEU 6 1.141 -1.225 14.013 41 3HD1 LEU 6 3HD1 LEU 6 1.328 -0.851 12.282 42 1HD2 LEU 6 1HD2 LEU 6 0.733 -4.785 13.685 43 2HD2 LEU 6 2HD2 LEU 6 1.804 -3.565 14.414 44 3HD2 LEU 6 3HD2 LEU 6 0.044 -3.463 14.657 45 H SER 7 H SER 7 -1.456 -2.036 9.118 46 HA SER 7 HA SER 7 0.388 -1.707 7.128 47 1HB SER 7 1HB SER 7 -0.776 0.401 6.637 48 2HB SER 7 2HB SER 7 -1.935 -0.842 7.061 49 HG SER 7 HG SER 7 -2.449 1.116 8.160 50 H ALA 8 H ALA 8 2.494 -1.029 7.241 51 HA ALA 8 HA ALA 8 3.387 1.349 8.088 52 1HB ALA 8 1HB ALA 8 2.950 -0.497 10.401 53 2HB ALA 8 2HB ALA 8 2.878 1.280 10.328 54 3HB ALA 8 3HB ALA 8 4.454 0.455 10.390 55 H ASN 9 H ASN 9 4.866 -1.533 9.601 56 HA ASN 9 HA ASN 9 7.282 -1.239 8.512 57 1HB ASN 9 1HB ASN 9 6.134 -3.103 10.137 58 2HB ASN 9 2HB ASN 9 6.260 -4.072 8.682 59 2HD2 ASN 9 2HD2 ASN 9 8.062 -2.018 10.920 60 1HD2 ASN 9 1HD2 ASN 9 9.616 -2.755 10.713 61 H GLN 10 H GLN 10 4.555 -3.293 7.234 62 HA GLN 10 HA GLN 10 5.927 -4.124 4.966 63 1HB GLN 10 1HB GLN 10 3.613 -4.735 4.134 64 2HB GLN 10 2HB GLN 10 4.009 -5.372 5.717 65 1HG GLN 10 1HG GLN 10 2.898 -2.864 6.305 66 2HG GLN 10 2HG GLN 10 1.934 -3.414 4.949 67 2HE2 GLN 10 2HE2 GLN 10 3.455 -4.800 7.862 68 1HE2 GLN 10 1HE2 GLN 10 2.092 -5.721 8.404 69 H CYS 11 H CYS 11 4.151 -1.172 5.768 70 HA CYS 11 HA CYS 11 4.415 -0.329 2.975 71 1HB CYS 11 1HB CYS 11 2.704 1.199 4.869 72 2HB CYS 11 2HB CYS 11 2.529 0.943 3.144 73 H ALA 12 H ALA 12 6.740 -0.377 4.512 74 HA ALA 12 HA ALA 12 7.046 2.429 5.338 75 1HB ALA 12 1HB ALA 12 9.000 0.319 6.168 76 2HB ALA 12 2HB ALA 12 7.391 0.289 6.927 77 3HB ALA 12 3HB ALA 12 8.409 1.742 7.058 78 H VAL 13 H VAL 13 7.056 2.033 2.636 79 HA VAL 13 HA VAL 13 9.796 1.521 1.827 80 HB VAL 13 HB VAL 13 7.800 2.465 -0.129 81 1HG1 VAL 13 1HG1 VAL 13 10.084 0.610 0.048 82 2HG1 VAL 13 2HG1 VAL 13 8.740 0.026 -0.962 83 3HG1 VAL 13 3HG1 VAL 13 9.504 1.594 -1.317 84 1HG2 VAL 13 1HG2 VAL 13 7.345 0.001 1.554 85 2HG2 VAL 13 2HG2 VAL 13 6.190 1.270 1.080 86 3HG2 VAL 13 3HG2 VAL 13 6.765 0.095 -0.126 87 HA PRO 14 HA PRO 14 10.826 5.717 1.703 88 1HB PRO 14 1HB PRO 14 12.905 5.695 -0.070 89 2HB PRO 14 2HB PRO 14 13.075 5.235 1.612 90 1HG PRO 14 1HG PRO 14 12.994 3.505 -0.784 91 2HG PRO 14 2HG PRO 14 13.577 3.126 0.825 92 1HD PRO 14 1HD PRO 14 11.082 2.310 -0.332 93 2HD PRO 14 2HD PRO 14 11.616 2.031 1.314 94 H ALA 15 H ALA 15 9.159 4.256 -0.644 95 HA ALA 15 HA ALA 15 7.719 5.247 -2.069 96 1HB ALA 15 1HB ALA 15 9.255 7.802 -2.310 97 2HB ALA 15 2HB ALA 15 7.499 7.528 -2.209 98 3HB ALA 15 3HB ALA 15 8.497 7.458 -0.737 99 H LYS 16 H LYS 16 11.199 5.142 -2.268 100 HA LYS 16 HA LYS 16 11.150 5.355 -5.167 101 1HB LYS 16 1HB LYS 16 13.599 5.271 -4.973 102 2HB LYS 16 2HB LYS 16 12.903 6.559 -4.010 103 1HG LYS 16 1HG LYS 16 14.603 5.414 -2.677 104 2HG LYS 16 2HG LYS 16 13.030 5.093 -1.976 105 1HD LYS 16 1HD LYS 16 13.007 2.854 -2.683 106 2HD LYS 16 2HD LYS 16 14.072 3.157 -4.041 107 1HE LYS 16 1HE LYS 16 15.993 2.936 -2.771 108 2HE LYS 16 2HE LYS 16 15.274 3.673 -1.353 109 1HZ LYS 16 1HZ LYS 16 13.881 1.392 -1.643 110 2HZ LYS 16 2HZ LYS 16 15.384 0.932 -2.085 111 3HZ LYS 16 3HZ LYS 16 15.135 1.606 -0.618 112 H ASP 17 H ASP 17 10.148 3.075 -3.108 113 HA ASP 17 HA ASP 17 11.239 0.970 -4.798 114 1HB ASP 17 1HB ASP 17 11.509 1.287 -1.936 115 2HB ASP 17 2HB ASP 17 10.476 -0.099 -2.228 116 H ARG 18 H ARG 18 8.676 2.717 -4.626 117 HA ARG 18 HA ARG 18 6.669 0.976 -3.687 118 1HB ARG 18 1HB ARG 18 6.272 3.305 -5.617 119 2HB ARG 18 2HB ARG 18 5.116 2.671 -4.462 120 1HG ARG 18 1HG ARG 18 7.776 3.781 -3.507 121 2HG ARG 18 2HG ARG 18 6.449 4.866 -3.873 122 1HD ARG 18 1HD ARG 18 5.190 2.926 -2.319 123 2HD ARG 18 2HD ARG 18 6.780 2.998 -1.587 124 HE ARG 18 HE ARG 18 5.523 5.620 -2.105 125 1HH1 ARG 18 1HH1 ARG 18 6.095 3.037 0.216 126 2HH1 ARG 18 2HH1 ARG 18 5.768 4.032 1.596 127 1HH2 ARG 18 1HH2 ARG 18 5.091 6.932 -0.285 128 2HH2 ARG 18 2HH2 ARG 18 5.193 6.262 1.309 129 H VAL 19 H VAL 19 5.625 -0.667 -4.800 130 HA VAL 19 HA VAL 19 6.433 -1.095 -7.553 131 HB VAL 19 HB VAL 19 4.858 -2.773 -5.590 132 1HG1 VAL 19 1HG1 VAL 19 5.812 -3.337 -8.408 133 2HG1 VAL 19 2HG1 VAL 19 5.403 -4.626 -7.250 134 3HG1 VAL 19 3HG1 VAL 19 4.161 -3.455 -7.752 135 1HG2 VAL 19 1HG2 VAL 19 7.316 -2.313 -5.097 136 2HG2 VAL 19 2HG2 VAL 19 6.840 -4.024 -5.223 137 3HG2 VAL 19 3HG2 VAL 19 7.684 -3.232 -6.576 138 H ASP 20 H ASP 20 4.117 0.721 -5.995 139 HA ASP 20 HA ASP 20 2.066 1.363 -6.431 140 1HB ASP 20 1HB ASP 20 3.129 2.685 -8.107 141 2HB ASP 20 2HB ASP 20 3.429 1.301 -9.139 142 H CYS 21 H CYS 21 0.764 -0.499 -5.851 143 HA CYS 21 HA CYS 21 0.465 -2.711 -7.542 144 1HB CYS 21 1HB CYS 21 -1.802 -2.708 -6.002 145 2HB CYS 21 2HB CYS 21 -0.266 -3.440 -5.582 146 H GLY 22 H GLY 22 -0.668 0.546 -7.680 147 1HA GLY 22 1HA GLY 22 -2.157 0.081 -10.057 148 2HA GLY 22 2HA GLY 22 -1.979 1.592 -9.187 149 H TYR 23 H TYR 23 -3.641 2.342 -7.870 150 HA TYR 23 HA TYR 23 -6.048 0.687 -7.870 151 1HB TYR 23 1HB TYR 23 -4.405 1.826 -5.566 152 2HB TYR 23 2HB TYR 23 -6.146 1.776 -5.373 153 HD1 TYR 23 HD1 TYR 23 -7.318 -0.512 -5.675 154 HD2 TYR 23 HD2 TYR 23 -3.097 -0.080 -5.120 155 HE1 TYR 23 HE1 TYR 23 -7.159 -2.939 -4.935 156 HE2 TYR 23 HE2 TYR 23 -2.953 -2.509 -4.383 157 HH TYR 23 HH TYR 23 -5.750 -4.625 -4.593 158 HA PRO 24 HA PRO 24 -7.825 4.535 -8.761 159 1HB PRO 24 1HB PRO 24 -10.464 3.959 -8.346 160 2HB PRO 24 2HB PRO 24 -9.611 3.539 -9.818 161 1HG PRO 24 1HG PRO 24 -10.437 1.782 -7.589 162 2HG PRO 24 2HG PRO 24 -9.980 1.341 -9.222 163 1HD PRO 24 1HD PRO 24 -8.371 1.084 -6.862 164 2HD PRO 24 2HD PRO 24 -7.875 0.753 -8.509 165 H HIS 25 H HIS 25 -10.144 3.571 -6.336 166 HA HIS 25 HA HIS 25 -9.681 6.076 -5.022 167 1HB HIS 25 1HB HIS 25 -11.617 5.558 -3.736 168 2HB HIS 25 2HB HIS 25 -11.946 5.114 -5.399 169 HD1 HIS 25 HD1 HIS 25 -13.584 3.857 -3.103 170 HD2 HIS 25 HD2 HIS 25 -10.139 2.118 -4.747 171 HE1 HIS 25 HE1 HIS 25 -13.733 1.360 -2.599 172 HE2 HIS 25 HE2 HIS 25 -11.617 0.337 -3.681 173 H VAL 26 H VAL 26 -7.458 5.800 -4.333 174 HA VAL 26 HA VAL 26 -6.992 3.676 -2.404 175 HB VAL 26 HB VAL 26 -4.663 4.541 -2.490 176 1HG1 VAL 26 1HG1 VAL 26 -6.026 3.730 -5.073 177 2HG1 VAL 26 2HG1 VAL 26 -4.258 3.838 -4.894 178 3HG1 VAL 26 3HG1 VAL 26 -5.185 2.691 -3.897 179 1HG2 VAL 26 1HG2 VAL 26 -5.402 6.899 -3.148 180 2HG2 VAL 26 2HG2 VAL 26 -3.980 6.238 -3.990 181 3HG2 VAL 26 3HG2 VAL 26 -5.562 6.270 -4.805 182 H THR 27 H THR 27 -6.720 3.998 -0.203 183 HA THR 27 HA THR 27 -6.543 6.694 0.821 184 HB THR 27 HB THR 27 -8.672 6.758 1.858 185 HG1 THR 27 HG1 THR 27 -9.856 4.613 1.977 186 1HG2 THR 27 1HG2 THR 27 -9.107 5.060 -0.656 187 2HG2 THR 27 2HG2 THR 27 -10.396 5.909 0.231 188 3HG2 THR 27 3HG2 THR 27 -9.116 6.838 -0.586 189 HA PRO 28 HA PRO 28 -4.586 4.692 4.076 190 1HB PRO 28 1HB PRO 28 -5.286 6.100 6.311 191 2HB PRO 28 2HB PRO 28 -4.087 6.660 5.163 192 1HG PRO 28 1HG PRO 28 -6.865 7.595 5.545 193 2HG PRO 28 2HG PRO 28 -5.540 8.397 4.726 194 1HD PRO 28 1HD PRO 28 -7.745 7.036 3.496 195 2HD PRO 28 2HD PRO 28 -6.361 7.738 2.682 196 H LYS 29 H LYS 29 -6.927 3.363 3.252 197 HA LYS 29 HA LYS 29 -7.154 1.553 5.339 198 1HB LYS 29 1HB LYS 29 -8.412 3.659 6.261 199 2HB LYS 29 2HB LYS 29 -9.697 3.151 5.184 200 1HG LYS 29 1HG LYS 29 -8.593 0.884 6.708 201 2HG LYS 29 2HG LYS 29 -9.188 2.148 7.766 202 1HD LYS 29 1HD LYS 29 -10.847 1.129 5.425 203 2HD LYS 29 2HD LYS 29 -10.879 0.327 6.983 204 1HE LYS 29 1HE LYS 29 -12.458 1.828 7.626 205 2HE LYS 29 2HE LYS 29 -11.199 3.047 7.638 206 1HZ LYS 29 1HZ LYS 29 -11.680 3.236 5.180 207 2HZ LYS 29 2HZ LYS 29 -13.056 2.407 5.474 208 3HZ LYS 29 3HZ LYS 29 -12.800 3.847 6.201 209 H GLU 30 H GLU 30 -8.766 3.194 2.571 210 HA GLU 30 HA GLU 30 -10.095 0.816 1.799 211 1HB GLU 30 1HB GLU 30 -10.961 3.107 1.303 212 2HB GLU 30 2HB GLU 30 -9.596 3.392 0.241 213 1HG GLU 30 1HG GLU 30 -10.600 2.286 -1.469 214 2HG GLU 30 2HG GLU 30 -10.865 0.869 -0.473 215 H CYS 31 H CYS 31 -7.068 2.527 0.907 216 HA CYS 31 HA CYS 31 -6.536 0.858 -1.317 217 1HB CYS 31 1HB CYS 31 -5.464 2.862 -1.520 218 2HB CYS 31 2HB CYS 31 -5.090 2.978 0.188 219 H ASN 32 H ASN 32 -6.043 0.754 2.192 220 HA ASN 32 HA ASN 32 -4.130 -1.374 1.957 221 1HB ASN 32 1HB ASN 32 -5.477 -0.434 4.527 222 2HB ASN 32 2HB ASN 32 -3.903 -1.184 4.355 223 2HD2 ASN 32 2HD2 ASN 32 -2.294 0.137 4.647 224 1HD2 ASN 32 1HD2 ASN 32 -2.211 1.815 4.224 225 H ASN 33 H ASN 33 -7.473 -1.023 1.721 226 HA ASN 33 HA ASN 33 -8.054 -3.464 3.166 227 1HB ASN 33 1HB ASN 33 -9.609 -1.598 3.558 228 2HB ASN 33 2HB ASN 33 -9.832 -1.356 1.837 229 2HD2 ASN 33 2HD2 ASN 33 -11.334 -2.460 0.765 230 1HD2 ASN 33 1HD2 ASN 33 -12.342 -3.708 1.419 231 H ARG 34 H ARG 34 -8.176 -1.885 -0.083 232 HA ARG 34 HA ARG 34 -9.481 -3.837 -1.455 233 1HB ARG 34 1HB ARG 34 -8.328 -1.442 -2.105 234 2HB ARG 34 2HB ARG 34 -7.155 -2.523 -2.832 235 1HG ARG 34 1HG ARG 34 -8.997 -1.865 -4.415 236 2HG ARG 34 2HG ARG 34 -8.872 -3.599 -4.194 237 1HD ARG 34 1HD ARG 34 -10.680 -2.294 -2.233 238 2HD ARG 34 2HD ARG 34 -11.205 -2.104 -3.894 239 HE ARG 34 HE ARG 34 -11.169 -4.580 -2.361 240 1HH1 ARG 34 1HH1 ARG 34 -10.969 -3.259 -5.616 241 2HH1 ARG 34 2HH1 ARG 34 -11.535 -4.708 -6.377 242 1HH2 ARG 34 1HH2 ARG 34 -11.915 -6.493 -3.364 243 2HH2 ARG 34 2HH2 ARG 34 -12.077 -6.560 -5.088 244 H GLY 35 H GLY 35 -6.247 -3.815 -0.084 245 1HA GLY 35 1HA GLY 35 -5.675 -6.389 -1.427 246 2HA GLY 35 2HA GLY 35 -5.265 -6.015 0.235 247 H CYS 36 H CYS 36 -3.788 -4.027 0.575 248 HA CYS 36 HA CYS 36 -1.414 -4.425 -0.706 249 1HB CYS 36 1HB CYS 36 -3.077 -3.175 -2.513 250 2HB CYS 36 2HB CYS 36 -2.203 -1.826 -1.814 251 H CYS 37 H CYS 37 -0.602 -1.534 -0.741 252 HA CYS 37 HA CYS 37 -1.119 -0.893 2.070 253 1HB CYS 37 1HB CYS 37 1.475 -1.143 0.615 254 2HB CYS 37 2HB CYS 37 1.323 0.130 1.810 255 H PHE 38 H PHE 38 -1.165 1.426 2.525 256 HA PHE 38 HA PHE 38 -1.492 3.022 0.082 257 1HB PHE 38 1HB PHE 38 -3.591 2.671 1.365 258 2HB PHE 38 2HB PHE 38 -2.784 3.065 2.870 259 HD1 PHE 38 HD1 PHE 38 -4.047 4.474 -0.295 260 HD2 PHE 38 HD2 PHE 38 -2.521 5.326 3.572 261 HE1 PHE 38 HE1 PHE 38 -4.738 6.873 -0.551 262 HE2 PHE 38 HE2 PHE 38 -3.212 7.726 3.316 263 HZ PHE 38 HZ PHE 38 -4.312 8.471 1.257 264 H ASP 39 H ASP 39 -1.295 5.518 0.689 265 HA ASP 39 HA ASP 39 0.344 6.213 2.810 266 1HB ASP 39 1HB ASP 39 2.173 5.090 1.715 267 2HB ASP 39 2HB ASP 39 1.710 5.706 0.141 268 H SER 40 H SER 40 0.497 8.554 2.881 269 HA SER 40 HA SER 40 -0.457 9.909 0.493 270 1HB SER 40 1HB SER 40 -1.912 11.355 1.856 271 2HB SER 40 2HB SER 40 -2.373 9.674 2.039 272 HG SER 40 HG SER 40 -2.317 10.643 4.107 273 H ARG 41 H ARG 41 2.162 9.406 2.187 274 HA ARG 41 HA ARG 41 2.853 11.799 3.361 275 1HB ARG 41 1HB ARG 41 4.022 9.368 3.223 276 2HB ARG 41 2HB ARG 41 4.957 10.142 1.960 277 1HG ARG 41 1HG ARG 41 5.146 12.093 3.830 278 2HG ARG 41 2HG ARG 41 4.883 10.737 4.909 279 1HD ARG 41 1HD ARG 41 6.792 9.516 3.783 280 2HD ARG 41 2HD ARG 41 7.081 10.932 2.792 281 HE ARG 41 HE ARG 41 7.029 11.630 5.608 282 1HH1 ARG 41 1HH1 ARG 41 9.056 10.204 3.110 283 2HH1 ARG 41 2HH1 ARG 41 10.541 10.623 3.897 284 1HH2 ARG 41 1HH2 ARG 41 8.988 12.183 6.647 285 2HH2 ARG 41 2HH2 ARG 41 10.502 11.756 5.923 286 H ILE 42 H ILE 42 3.416 10.516 0.014 287 HA ILE 42 HA ILE 42 3.656 13.268 -0.903 288 HB ILE 42 HB ILE 42 5.591 12.029 -2.391 289 1HG1 ILE 42 1HG1 ILE 42 7.151 11.011 -0.746 290 2HG1 ILE 42 2HG1 ILE 42 5.891 11.069 0.470 291 1HG2 ILE 42 1HG2 ILE 42 5.570 13.939 -0.094 292 2HG2 ILE 42 2HG2 ILE 42 7.134 13.325 -0.678 293 3HG2 ILE 42 3HG2 ILE 42 6.045 14.186 -1.791 294 1HD1 ILE 42 1HD1 ILE 42 4.979 9.835 -2.057 295 2HD1 ILE 42 2HD1 ILE 42 6.327 8.963 -1.289 296 3HD1 ILE 42 3HD1 ILE 42 4.820 9.248 -0.385 297 HA PRO 43 HA PRO 43 1.076 11.493 -3.902 298 1HB PRO 43 1HB PRO 43 0.758 13.679 -5.511 299 2HB PRO 43 2HB PRO 43 -0.180 13.418 -4.054 300 1HG PRO 43 1HG PRO 43 2.060 15.294 -4.504 301 2HG PRO 43 2HG PRO 43 0.854 15.309 -3.233 302 1HD PRO 43 1HD PRO 43 3.580 14.448 -3.002 303 2HD PRO 43 2HD PRO 43 2.343 14.355 -1.764 304 H GLY 44 H GLY 44 3.951 13.230 -4.864 305 1HA GLY 44 1HA GLY 44 5.563 12.554 -6.311 306 2HA GLY 44 2HA GLY 44 4.244 12.651 -7.461 307 H VAL 45 H VAL 45 4.856 10.324 -4.739 308 HA VAL 45 HA VAL 45 5.364 8.221 -6.660 309 HB VAL 45 HB VAL 45 6.310 7.092 -4.943 310 1HG1 VAL 45 1HG1 VAL 45 6.994 9.692 -5.013 311 2HG1 VAL 45 2HG1 VAL 45 6.441 9.590 -3.325 312 3HG1 VAL 45 3HG1 VAL 45 7.744 8.523 -3.900 313 1HG2 VAL 45 1HG2 VAL 45 4.090 8.223 -3.261 314 2HG2 VAL 45 2HG2 VAL 45 4.561 6.529 -3.535 315 3HG2 VAL 45 3HG2 VAL 45 5.546 7.566 -2.475 316 HA PRO 46 HA PRO 46 1.454 6.388 -6.406 317 1HB PRO 46 1HB PRO 46 1.909 3.707 -6.133 318 2HB PRO 46 2HB PRO 46 2.068 4.555 -7.658 319 1HG PRO 46 1HG PRO 46 4.193 3.565 -5.858 320 2HG PRO 46 2HG PRO 46 4.308 4.020 -7.547 321 1HD PRO 46 1HD PRO 46 5.180 5.561 -5.291 322 2HD PRO 46 2HD PRO 46 5.188 6.064 -6.969 323 H TRP 47 H TRP 47 0.532 7.413 -4.631 324 HA TRP 47 HA TRP 47 0.922 7.046 -2.063 325 1HB TRP 47 1HB TRP 47 -1.559 7.366 -3.664 326 2HB TRP 47 2HB TRP 47 -1.758 6.925 -1.979 327 HD1 TRP 47 HD1 TRP 47 1.142 9.267 -2.926 328 HE1 TRP 47 HE1 TRP 47 0.767 11.698 -1.967 329 HE3 TRP 47 HE3 TRP 47 -3.622 8.473 -1.334 330 HZ2 TRP 47 HZ2 TRP 47 -1.430 12.986 -0.680 331 HZ3 TRP 47 HZ3 TRP 47 -4.811 10.370 -0.237 332 HH2 TRP 47 HH2 TRP 47 -3.791 12.565 0.099 333 H CYS 48 H CYS 48 -1.016 4.754 -4.116 334 HA CYS 48 HA CYS 48 -0.935 2.834 -1.948 335 1HB CYS 48 1HB CYS 48 -2.989 3.411 -3.424 336 2HB CYS 48 2HB CYS 48 -2.228 2.387 -4.626 337 H PHE 49 H PHE 49 0.554 1.169 -1.912 338 HA PHE 49 HA PHE 49 1.705 0.283 -4.416 339 1HB PHE 49 1HB PHE 49 4.023 0.535 -3.244 340 2HB PHE 49 2HB PHE 49 3.283 2.025 -3.794 341 HD1 PHE 49 HD1 PHE 49 3.485 -0.131 -0.756 342 HD2 PHE 49 HD2 PHE 49 3.101 3.797 -2.316 343 HE1 PHE 49 HE1 PHE 49 3.648 0.807 1.566 344 HE2 PHE 49 HE2 PHE 49 3.264 4.735 0.007 345 HZ PHE 49 HZ PHE 49 3.536 3.229 1.920 346 H LYS 50 H LYS 50 3.165 -1.687 -4.028 347 HA LYS 50 HA LYS 50 1.761 -3.481 -2.350 348 1HB LYS 50 1HB LYS 50 4.426 -3.935 -3.713 349 2HB LYS 50 2HB LYS 50 3.260 -5.142 -3.211 350 1HG LYS 50 1HG LYS 50 1.579 -4.052 -4.807 351 2HG LYS 50 2HG LYS 50 2.888 -3.049 -5.400 352 1HD LYS 50 1HD LYS 50 2.966 -4.827 -6.923 353 2HD LYS 50 2HD LYS 50 4.160 -5.342 -5.748 354 1HE LYS 50 1HE LYS 50 2.764 -6.995 -4.835 355 2HE LYS 50 2HE LYS 50 1.292 -6.156 -5.280 356 1HZ LYS 50 1HZ LYS 50 2.981 -7.029 -7.451 357 2HZ LYS 50 2HZ LYS 50 2.205 -8.200 -6.619 358 3HZ LYS 50 3HZ LYS 50 1.352 -7.010 -7.342 359 HA PRO 51 HA PRO 51 4.097 -3.269 1.272 360 1HB PRO 51 1HB PRO 51 4.192 -5.854 2.153 361 2HB PRO 51 2HB PRO 51 2.785 -4.828 2.344 362 1HG PRO 51 1HG PRO 51 3.212 -7.052 0.444 363 2HG PRO 51 2HG PRO 51 1.706 -6.307 0.942 364 1HD PRO 51 1HD PRO 51 3.087 -5.895 -1.538 365 2HD PRO 51 2HD PRO 51 1.644 -5.065 -0.992 366 H LEU 52 H LEU 52 6.139 -2.681 1.599 367 HA LEU 52 HA LEU 52 8.179 -3.228 0.013 368 1HB LEU 52 1HB LEU 52 8.384 -1.699 1.815 369 2HB LEU 52 2HB LEU 52 8.159 -2.957 3.014 370 HG LEU 52 HG LEU 52 10.545 -2.789 1.153 371 1HD1 LEU 52 1HD1 LEU 52 10.104 -0.934 3.002 372 2HD1 LEU 52 2HD1 LEU 52 10.777 -2.191 4.067 373 3HD1 LEU 52 3HD1 LEU 52 11.729 -1.590 2.688 374 1HD2 LEU 52 1HD2 LEU 52 9.592 -4.805 3.033 375 2HD2 LEU 52 2HD2 LEU 52 10.857 -4.902 1.785 376 3HD2 LEU 52 3HD2 LEU 52 11.245 -4.255 3.398 377 H GLN 53 H GLN 53 9.721 -4.826 -0.397 378 HA GLN 53 HA GLN 53 8.857 -7.430 -0.016 379 1HB GLN 53 1HB GLN 53 11.214 -6.060 -1.185 380 2HB GLN 53 2HB GLN 53 11.556 -7.676 -0.601 381 1HG GLN 53 1HG GLN 53 10.718 -8.393 -2.597 382 2HG GLN 53 2HG GLN 53 9.141 -8.069 -1.906 383 2HE2 GLN 53 2HE2 GLN 53 8.758 -5.501 -1.873 384 1HE2 GLN 53 1HE2 GLN 53 8.890 -4.753 -3.430 385 H GLU 54 H GLU 54 8.462 -7.546 2.327 386 HA GLU 54 HA GLU 54 10.355 -7.067 4.230 387 1HB GLU 54 1HB GLU 54 8.992 -8.444 5.706 388 2HB GLU 54 2HB GLU 54 7.932 -7.541 4.642 389 1HG GLU 54 1HG GLU 54 6.966 -9.541 4.144 390 2HG GLU 54 2HG GLU 54 8.386 -9.858 3.167 391 H ALA 55 H ALA 55 12.439 -7.825 4.172 392 HA ALA 55 HA ALA 55 12.751 -10.728 3.993 393 1HB ALA 55 1HB ALA 55 14.079 -10.656 2.159 394 2HB ALA 55 2HB ALA 55 14.894 -9.167 2.693 395 3HB ALA 55 3HB ALA 55 13.323 -9.073 1.860 396 H GLU 56 H GLU 56 14.251 -11.549 5.443 397 HA GLU 56 HA GLU 56 14.958 -9.904 7.562 398 1HB GLU 56 1HB GLU 56 14.951 -12.668 6.985 399 2HB GLU 56 2HB GLU 56 16.628 -12.303 7.342 400 1HG GLU 56 1HG GLU 56 15.749 -12.756 9.481 401 2HG GLU 56 2HG GLU 56 15.694 -11.005 9.420 402 H CYS 57 H CYS 57 16.630 -8.483 7.815 403 HA CYS 57 HA CYS 57 18.426 -8.023 5.734 404 1HB CYS 57 1HB CYS 57 19.533 -6.485 7.297 405 2HB CYS 57 2HB CYS 57 17.799 -6.251 7.212 406 H THR 58 H THR 58 20.949 -7.999 6.229 407 HA THR 58 HA THR 58 22.697 -9.429 6.226 408 HB THR 58 HB THR 58 22.912 -8.349 8.388 409 HG1 THR 58 HG1 THR 58 24.274 -10.016 8.896 410 1HG2 THR 58 1HG2 THR 58 20.964 -10.485 9.407 411 2HG2 THR 58 2HG2 THR 58 21.835 -9.315 10.426 412 3HG2 THR 58 3HG2 THR 58 20.604 -8.747 9.273 413 H PHE 59 H PHE 59 21.353 -10.894 4.758 414 HA PHE 59 HA PHE 59 20.721 -12.921 4.160 415 1HB PHE 59 1HB PHE 59 22.779 -13.271 6.348 416 2HB PHE 59 2HB PHE 59 21.888 -14.717 5.914 417 HD1 PHE 59 HD1 PHE 59 24.183 -12.129 4.644 418 HD2 PHE 59 HD2 PHE 59 22.301 -15.849 3.852 419 HE1 PHE 59 HE1 PHE 59 25.721 -12.492 2.695 420 HE2 PHE 59 HE2 PHE 59 23.839 -16.212 1.903 421 HZ PHE 59 HZ PHE 59 25.531 -14.530 1.347 No H/Q in entry = 421 Start of MODEL 21 1 H GLU 1 H GLU 1 8.413 -11.039 21.096 2 HA GLU 1 HA GLU 1 6.972 -11.643 23.476 3 1HB GLU 1 1HB GLU 1 7.521 -8.798 22.654 4 2HB GLU 1 2HB GLU 1 5.936 -9.175 23.298 5 1HG GLU 1 1HG GLU 1 6.869 -8.935 25.360 6 2HG GLU 1 2HG GLU 1 7.619 -10.495 25.086 7 H GLU 2 H GLU 2 6.789 -9.697 20.404 8 HA GLU 2 HA GLU 2 4.892 -11.537 19.369 9 1HB GLU 2 1HB GLU 2 3.026 -9.972 19.103 10 2HB GLU 2 2HB GLU 2 3.419 -10.136 20.802 11 1HG GLU 2 1HG GLU 2 4.867 -8.035 20.577 12 2HG GLU 2 2HG GLU 2 4.223 -7.840 18.959 13 H TYR 3 H TYR 3 3.868 -10.148 17.218 14 HA TYR 3 HA TYR 3 6.269 -9.002 15.957 15 1HB TYR 3 1HB TYR 3 4.897 -11.422 15.445 16 2HB TYR 3 2HB TYR 3 4.152 -10.326 14.298 17 HD1 TYR 3 HD1 TYR 3 5.492 -9.292 12.490 18 HD2 TYR 3 HD2 TYR 3 7.199 -12.141 15.187 19 HE1 TYR 3 HE1 TYR 3 7.455 -9.624 10.909 20 HE2 TYR 3 HE2 TYR 3 9.156 -12.463 13.596 21 HH TYR 3 HH TYR 3 9.258 -12.019 10.755 22 H VAL 4 H VAL 4 5.792 -7.530 14.104 23 HA VAL 4 HA VAL 4 3.105 -6.396 14.204 24 HB VAL 4 HB VAL 4 5.694 -4.996 14.813 25 1HG1 VAL 4 1HG1 VAL 4 4.612 -3.789 12.932 26 2HG1 VAL 4 2HG1 VAL 4 3.135 -3.629 13.913 27 3HG1 VAL 4 3HG1 VAL 4 4.641 -2.838 14.437 28 1HG2 VAL 4 1HG2 VAL 4 3.761 -5.941 16.461 29 2HG2 VAL 4 2HG2 VAL 4 4.777 -4.527 16.833 30 3HG2 VAL 4 3HG2 VAL 4 3.144 -4.298 16.162 31 H GLY 5 H GLY 5 2.357 -6.506 12.156 32 1HA GLY 5 1HA GLY 5 3.071 -7.250 9.899 33 2HA GLY 5 2HA GLY 5 4.299 -6.002 9.980 34 H LEU 6 H LEU 6 1.644 -4.818 11.687 35 HA LEU 6 HA LEU 6 0.646 -3.476 9.271 36 1HB LEU 6 1HB LEU 6 -1.492 -3.322 10.835 37 2HB LEU 6 2HB LEU 6 -1.219 -4.634 9.706 38 HG LEU 6 HG LEU 6 -2.031 -5.366 11.935 39 1HD1 LEU 6 1HD1 LEU 6 0.145 -6.432 10.407 40 2HD1 LEU 6 2HD1 LEU 6 0.408 -6.794 12.130 41 3HD1 LEU 6 3HD1 LEU 6 -1.107 -7.289 11.337 42 1HD2 LEU 6 1HD2 LEU 6 0.369 -3.873 12.823 43 2HD2 LEU 6 2HD2 LEU 6 -1.187 -4.154 13.641 44 3HD2 LEU 6 3HD2 LEU 6 0.058 -5.426 13.636 45 H SER 7 H SER 7 2.737 -2.236 10.178 46 HA SER 7 HA SER 7 1.594 -0.086 11.753 47 1HB SER 7 1HB SER 7 3.668 0.108 13.091 48 2HB SER 7 2HB SER 7 2.894 -1.443 13.341 49 HG SER 7 HG SER 7 5.378 -0.842 12.180 50 H ALA 8 H ALA 8 4.281 -1.323 9.676 51 HA ALA 8 HA ALA 8 4.133 0.719 7.837 52 1HB ALA 8 1HB ALA 8 5.637 1.414 10.281 53 2HB ALA 8 2HB ALA 8 6.560 1.643 8.776 54 3HB ALA 8 3HB ALA 8 4.996 2.465 8.995 55 H ASN 9 H ASN 9 6.213 -1.530 9.711 56 HA ASN 9 HA ASN 9 8.289 -1.966 8.200 57 1HB ASN 9 1HB ASN 9 6.380 -4.058 9.349 58 2HB ASN 9 2HB ASN 9 7.925 -4.506 8.654 59 2HD2 ASN 9 2HD2 ASN 9 7.985 -5.309 10.978 60 1HD2 ASN 9 1HD2 ASN 9 8.728 -4.274 12.152 61 H GLN 10 H GLN 10 4.899 -2.870 7.411 62 HA GLN 10 HA GLN 10 5.667 -4.291 5.067 63 1HB GLN 10 1HB GLN 10 3.502 -4.461 6.666 64 2HB GLN 10 2HB GLN 10 2.847 -3.337 5.492 65 1HG GLN 10 1HG GLN 10 2.409 -5.109 4.146 66 2HG GLN 10 2HG GLN 10 4.137 -5.290 3.915 67 2HE2 GLN 10 2HE2 GLN 10 5.087 -6.133 6.262 68 1HE2 GLN 10 1HE2 GLN 10 4.427 -7.665 6.726 69 H CYS 11 H CYS 11 4.046 -1.133 5.820 70 HA CYS 11 HA CYS 11 4.512 -0.376 3.035 71 1HB CYS 11 1HB CYS 11 2.875 1.404 4.711 72 2HB CYS 11 2HB CYS 11 2.635 0.856 3.063 73 H ALA 12 H ALA 12 6.800 -0.485 4.600 74 HA ALA 12 HA ALA 12 7.215 2.302 5.433 75 1HB ALA 12 1HB ALA 12 9.198 1.255 6.671 76 2HB ALA 12 2HB ALA 12 7.579 0.842 7.284 77 3HB ALA 12 3HB ALA 12 8.476 -0.325 6.284 78 H VAL 13 H VAL 13 7.179 2.151 2.772 79 HA VAL 13 HA VAL 13 9.895 1.552 1.887 80 HB VAL 13 HB VAL 13 7.897 2.516 -0.046 81 1HG1 VAL 13 1HG1 VAL 13 10.144 0.623 0.125 82 2HG1 VAL 13 2HG1 VAL 13 8.779 0.040 -0.858 83 3HG1 VAL 13 3HG1 VAL 13 9.558 1.592 -1.249 84 1HG2 VAL 13 1HG2 VAL 13 7.405 0.030 1.605 85 2HG2 VAL 13 2HG2 VAL 13 6.283 1.361 1.232 86 3HG2 VAL 13 3HG2 VAL 13 6.764 0.218 -0.045 87 HA PRO 14 HA PRO 14 10.907 5.754 1.809 88 1HB PRO 14 1HB PRO 14 12.978 5.757 0.026 89 2HB PRO 14 2HB PRO 14 13.158 5.282 1.702 90 1HG PRO 14 1HG PRO 14 13.071 3.574 -0.709 91 2HG PRO 14 2HG PRO 14 13.664 3.182 0.892 92 1HD PRO 14 1HD PRO 14 11.167 2.368 -0.260 93 2HD PRO 14 2HD PRO 14 11.710 2.074 1.380 94 H ALA 15 H ALA 15 9.245 4.304 -0.553 95 HA ALA 15 HA ALA 15 7.790 5.305 -1.958 96 1HB ALA 15 1HB ALA 15 9.306 7.868 -2.195 97 2HB ALA 15 2HB ALA 15 7.554 7.583 -2.062 98 3HB ALA 15 3HB ALA 15 8.580 7.508 -0.610 99 H LYS 16 H LYS 16 11.275 5.239 -2.175 100 HA LYS 16 HA LYS 16 11.210 5.470 -5.071 101 1HB LYS 16 1HB LYS 16 13.660 5.400 -4.889 102 2HB LYS 16 2HB LYS 16 12.962 6.670 -3.905 103 1HG LYS 16 1HG LYS 16 14.673 5.521 -2.593 104 2HG LYS 16 2HG LYS 16 13.105 5.172 -1.892 105 1HD LYS 16 1HD LYS 16 13.105 2.945 -2.631 106 2HD LYS 16 2HD LYS 16 14.155 3.280 -3.994 107 1HE LYS 16 1HE LYS 16 15.868 3.905 -1.961 108 2HE LYS 16 2HE LYS 16 14.872 2.723 -1.134 109 1HZ LYS 16 1HZ LYS 16 15.287 1.216 -2.996 110 2HZ LYS 16 2HZ LYS 16 16.295 2.309 -3.671 111 3HZ LYS 16 3HZ LYS 16 16.664 1.641 -2.227 112 H ASP 17 H ASP 17 10.232 3.164 -3.027 113 HA ASP 17 HA ASP 17 11.329 1.082 -4.742 114 1HB ASP 17 1HB ASP 17 11.618 1.373 -1.886 115 2HB ASP 17 2HB ASP 17 10.563 0.002 -2.169 116 H ARG 18 H ARG 18 8.757 2.816 -4.552 117 HA ARG 18 HA ARG 18 6.761 1.045 -3.637 118 1HB ARG 18 1HB ARG 18 6.336 3.407 -5.519 119 2HB ARG 18 2HB ARG 18 5.198 2.748 -4.360 120 1HG ARG 18 1HG ARG 18 7.863 3.854 -3.416 121 2HG ARG 18 2HG ARG 18 6.532 4.942 -3.756 122 1HD ARG 18 1HD ARG 18 5.307 2.953 -2.215 123 2HD ARG 18 2HD ARG 18 6.896 3.073 -1.487 124 HE ARG 18 HE ARG 18 5.563 5.656 -2.000 125 1HH1 ARG 18 1HH1 ARG 18 6.205 3.087 0.317 126 2HH1 ARG 18 2HH1 ARG 18 5.848 4.069 1.698 127 1HH2 ARG 18 1HH2 ARG 18 5.092 6.953 -0.178 128 2HH2 ARG 18 2HH2 ARG 18 5.210 6.283 1.415 129 H VAL 19 H VAL 19 5.722 -0.578 -4.784 130 HA VAL 19 HA VAL 19 6.522 -0.934 -7.551 131 HB VAL 19 HB VAL 19 4.827 -2.737 -5.824 132 1HG1 VAL 19 1HG1 VAL 19 6.465 -3.131 -8.340 133 2HG1 VAL 19 2HG1 VAL 19 5.912 -4.486 -7.327 134 3HG1 VAL 19 3HG1 VAL 19 4.724 -3.408 -8.097 135 1HG2 VAL 19 1HG2 VAL 19 7.528 -1.975 -5.353 136 2HG2 VAL 19 2HG2 VAL 19 6.577 -3.241 -4.540 137 3HG2 VAL 19 3HG2 VAL 19 7.544 -3.641 -5.980 138 H ASP 20 H ASP 20 4.096 0.671 -5.823 139 HA ASP 20 HA ASP 20 2.160 1.498 -6.335 140 1HB ASP 20 1HB ASP 20 3.107 2.534 -8.260 141 2HB ASP 20 2HB ASP 20 3.290 1.010 -9.105 142 H CYS 21 H CYS 21 0.412 0.220 -5.690 143 HA CYS 21 HA CYS 21 0.055 -2.385 -6.777 144 1HB CYS 21 1HB CYS 21 -0.542 -1.297 -4.401 145 2HB CYS 21 2HB CYS 21 -2.095 -1.085 -5.183 146 H GLY 22 H GLY 22 -0.893 0.876 -7.570 147 1HA GLY 22 1HA GLY 22 -2.193 0.106 -9.952 148 2HA GLY 22 2HA GLY 22 -2.134 1.711 -9.250 149 H TYR 23 H TYR 23 -3.814 2.437 -7.818 150 HA TYR 23 HA TYR 23 -6.257 0.855 -8.098 151 1HB TYR 23 1HB TYR 23 -4.723 1.768 -5.643 152 2HB TYR 23 2HB TYR 23 -6.467 1.921 -5.558 153 HD1 TYR 23 HD1 TYR 23 -7.752 -0.318 -6.433 154 HD2 TYR 23 HD2 TYR 23 -3.806 -0.177 -4.784 155 HE1 TYR 23 HE1 TYR 23 -7.929 -2.769 -5.781 156 HE2 TYR 23 HE2 TYR 23 -3.996 -2.628 -4.138 157 HH TYR 23 HH TYR 23 -6.768 -4.214 -3.885 158 HA PRO 24 HA PRO 24 -7.908 4.770 -8.921 159 1HB PRO 24 1HB PRO 24 -10.577 4.271 -8.612 160 2HB PRO 24 2HB PRO 24 -9.686 3.856 -10.063 161 1HG PRO 24 1HG PRO 24 -10.645 2.078 -7.905 162 2HG PRO 24 2HG PRO 24 -10.145 1.659 -9.531 163 1HD PRO 24 1HD PRO 24 -8.629 1.298 -7.123 164 2HD PRO 24 2HD PRO 24 -8.086 0.988 -8.760 165 H HIS 25 H HIS 25 -10.040 3.560 -6.382 166 HA HIS 25 HA HIS 25 -9.680 6.117 -5.067 167 1HB HIS 25 1HB HIS 25 -11.611 5.533 -3.769 168 2HB HIS 25 2HB HIS 25 -11.951 5.235 -5.463 169 HD1 HIS 25 HD1 HIS 25 -13.708 3.803 -3.476 170 HD2 HIS 25 HD2 HIS 25 -10.099 2.181 -4.868 171 HE1 HIS 25 HE1 HIS 25 -13.876 1.281 -3.127 172 HE2 HIS 25 HE2 HIS 25 -11.653 0.334 -4.052 173 H VAL 26 H VAL 26 -7.519 5.905 -4.281 174 HA VAL 26 HA VAL 26 -7.084 3.701 -2.413 175 HB VAL 26 HB VAL 26 -4.724 4.486 -2.510 176 1HG1 VAL 26 1HG1 VAL 26 -5.504 2.647 -3.927 177 2HG1 VAL 26 2HG1 VAL 26 -6.006 3.808 -5.180 178 3HG1 VAL 26 3HG1 VAL 26 -4.282 3.624 -4.775 179 1HG2 VAL 26 1HG2 VAL 26 -5.473 6.863 -3.240 180 2HG2 VAL 26 2HG2 VAL 26 -3.984 6.180 -3.936 181 3HG2 VAL 26 3HG2 VAL 26 -5.490 6.181 -4.884 182 H THR 27 H THR 27 -6.941 4.011 -0.219 183 HA THR 27 HA THR 27 -6.621 6.713 0.794 184 HB THR 27 HB THR 27 -8.750 6.855 1.803 185 HG1 THR 27 HG1 THR 27 -9.835 4.900 2.384 186 1HG2 THR 27 1HG2 THR 27 -9.194 5.089 -0.660 187 2HG2 THR 27 2HG2 THR 27 -10.499 5.919 0.222 188 3HG2 THR 27 3HG2 THR 27 -9.246 6.867 -0.614 189 HA PRO 28 HA PRO 28 -4.731 4.688 4.076 190 1HB PRO 28 1HB PRO 28 -5.464 6.069 6.317 191 2HB PRO 28 2HB PRO 28 -4.249 6.643 5.192 192 1HG PRO 28 1HG PRO 28 -7.033 7.572 5.546 193 2HG PRO 28 2HG PRO 28 -5.697 8.384 4.755 194 1HD PRO 28 1HD PRO 28 -7.884 7.037 3.479 195 2HD PRO 28 2HD PRO 28 -6.489 7.749 2.693 196 H LYS 29 H LYS 29 -7.054 3.362 3.203 197 HA LYS 29 HA LYS 29 -7.312 1.533 5.270 198 1HB LYS 29 1HB LYS 29 -8.595 3.631 6.182 199 2HB LYS 29 2HB LYS 29 -9.859 3.118 5.083 200 1HG LYS 29 1HG LYS 29 -8.579 1.122 6.981 201 2HG LYS 29 2HG LYS 29 -9.851 2.187 7.545 202 1HD LYS 29 1HD LYS 29 -11.343 1.360 5.699 203 2HD LYS 29 2HD LYS 29 -10.073 0.273 5.172 204 1HE LYS 29 1HE LYS 29 -10.519 -0.057 8.037 205 2HE LYS 29 2HE LYS 29 -12.042 -0.205 7.182 206 1HZ LYS 29 1HZ LYS 29 -11.002 -1.822 5.736 207 2HZ LYS 29 2HZ LYS 29 -9.587 -1.687 6.539 208 3HZ LYS 29 3HZ LYS 29 -10.899 -2.297 7.295 209 H GLU 30 H GLU 30 -9.005 3.196 2.547 210 HA GLU 30 HA GLU 30 -10.278 0.830 1.716 211 1HB GLU 30 1HB GLU 30 -11.215 3.019 1.168 212 2HB GLU 30 2HB GLU 30 -9.761 3.482 0.306 213 1HG GLU 30 1HG GLU 30 -10.345 2.310 -1.578 214 2HG GLU 30 2HG GLU 30 -10.933 0.935 -0.663 215 H CYS 31 H CYS 31 -7.232 2.530 0.855 216 HA CYS 31 HA CYS 31 -6.671 0.891 -1.368 217 1HB CYS 31 1HB CYS 31 -5.533 2.861 -1.490 218 2HB CYS 31 2HB CYS 31 -5.217 2.931 0.232 219 H ASN 32 H ASN 32 -5.973 0.824 2.156 220 HA ASN 32 HA ASN 32 -4.248 -1.427 1.873 221 1HB ASN 32 1HB ASN 32 -3.654 -0.936 4.043 222 2HB ASN 32 2HB ASN 32 -4.548 0.550 3.789 223 2HD2 ASN 32 2HD2 ASN 32 -4.149 -2.004 5.787 224 1HD2 ASN 32 1HD2 ASN 32 -5.679 -2.055 6.597 225 H ASN 33 H ASN 33 -7.554 -0.975 1.626 226 HA ASN 33 HA ASN 33 -8.227 -3.372 3.109 227 1HB ASN 33 1HB ASN 33 -9.749 -1.537 3.546 228 2HB ASN 33 2HB ASN 33 -9.875 -1.135 1.845 229 2HD2 ASN 33 2HD2 ASN 33 -12.185 -1.253 2.472 230 1HD2 ASN 33 1HD2 ASN 33 -13.012 -2.768 2.320 231 H ARG 34 H ARG 34 -8.178 -1.839 -0.147 232 HA ARG 34 HA ARG 34 -9.606 -3.745 -1.504 233 1HB ARG 34 1HB ARG 34 -8.401 -1.392 -2.178 234 2HB ARG 34 2HB ARG 34 -7.239 -2.498 -2.881 235 1HG ARG 34 1HG ARG 34 -9.072 -1.811 -4.478 236 2HG ARG 34 2HG ARG 34 -8.940 -3.546 -4.267 237 1HD ARG 34 1HD ARG 34 -10.763 -2.292 -2.298 238 2HD ARG 34 2HD ARG 34 -11.277 -2.038 -3.954 239 HE ARG 34 HE ARG 34 -10.510 -4.788 -3.615 240 1HH1 ARG 34 1HH1 ARG 34 -13.070 -2.538 -2.740 241 2HH1 ARG 34 2HH1 ARG 34 -14.283 -3.769 -2.615 242 1HH2 ARG 34 1HH2 ARG 34 -12.110 -6.412 -3.449 243 2HH2 ARG 34 2HH2 ARG 34 -13.733 -5.987 -3.020 244 H GLY 35 H GLY 35 -6.280 -3.725 -0.276 245 1HA GLY 35 1HA GLY 35 -5.786 -6.319 -1.612 246 2HA GLY 35 2HA GLY 35 -5.439 -6.033 0.081 247 H CYS 36 H CYS 36 -3.936 -4.090 0.571 248 HA CYS 36 HA CYS 36 -1.506 -4.488 -0.539 249 1HB CYS 36 1HB CYS 36 -3.091 -3.114 -2.428 250 2HB CYS 36 2HB CYS 36 -1.984 -1.926 -1.767 251 H CYS 37 H CYS 37 -0.552 -1.695 -0.541 252 HA CYS 37 HA CYS 37 -1.280 -0.969 2.204 253 1HB CYS 37 1HB CYS 37 1.362 -1.294 0.898 254 2HB CYS 37 2HB CYS 37 1.185 0.101 1.943 255 H PHE 38 H PHE 38 -1.281 1.379 2.636 256 HA PHE 38 HA PHE 38 -1.598 2.925 0.159 257 1HB PHE 38 1HB PHE 38 -3.707 2.621 1.424 258 2HB PHE 38 2HB PHE 38 -2.910 3.007 2.936 259 HD1 PHE 38 HD1 PHE 38 -4.144 4.422 -0.235 260 HD2 PHE 38 HD2 PHE 38 -2.611 5.270 3.630 261 HE1 PHE 38 HE1 PHE 38 -4.805 6.829 -0.500 262 HE2 PHE 38 HE2 PHE 38 -3.272 7.677 3.365 263 HZ PHE 38 HZ PHE 38 -4.361 8.428 1.303 264 H ASP 39 H ASP 39 -1.393 5.430 0.708 265 HA ASP 39 HA ASP 39 0.205 6.195 2.823 266 1HB ASP 39 1HB ASP 39 2.025 4.954 1.791 267 2HB ASP 39 2HB ASP 39 1.661 5.614 0.209 268 H SER 40 H SER 40 0.389 8.534 2.791 269 HA SER 40 HA SER 40 -0.462 9.789 0.310 270 1HB SER 40 1HB SER 40 -1.928 11.330 1.575 271 2HB SER 40 2HB SER 40 -2.442 9.666 1.769 272 HG SER 40 HG SER 40 -0.594 10.417 3.713 273 H ARG 41 H ARG 41 2.111 9.332 2.037 274 HA ARG 41 HA ARG 41 2.814 11.714 3.202 275 1HB ARG 41 1HB ARG 41 3.989 9.270 2.975 276 2HB ARG 41 2HB ARG 41 4.939 10.124 1.774 277 1HG ARG 41 1HG ARG 41 4.587 11.666 4.280 278 2HG ARG 41 2HG ARG 41 5.406 10.137 4.528 279 1HD ARG 41 1HD ARG 41 7.271 11.348 3.926 280 2HD ARG 41 2HD ARG 41 6.738 10.975 2.299 281 HE ARG 41 HE ARG 41 6.100 13.217 2.003 282 1HH1 ARG 41 1HH1 ARG 41 6.665 12.594 5.420 283 2HH1 ARG 41 2HH1 ARG 41 6.559 14.263 5.873 284 1HH2 ARG 41 1HH2 ARG 41 5.960 15.419 2.600 285 2HH2 ARG 41 2HH2 ARG 41 6.156 15.880 4.258 286 H ILE 42 H ILE 42 3.378 10.465 -0.160 287 HA ILE 42 HA ILE 42 3.539 13.218 -1.072 288 HB ILE 42 HB ILE 42 5.561 12.091 -2.519 289 1HG1 ILE 42 1HG1 ILE 42 7.132 11.109 -0.873 290 2HG1 ILE 42 2HG1 ILE 42 5.864 11.113 0.336 291 1HG2 ILE 42 1HG2 ILE 42 5.241 14.107 -0.435 292 2HG2 ILE 42 2HG2 ILE 42 6.874 13.399 -0.463 293 3HG2 ILE 42 3HG2 ILE 42 6.201 14.143 -1.934 294 1HD1 ILE 42 1HD1 ILE 42 5.035 9.859 -2.218 295 2HD1 ILE 42 2HD1 ILE 42 6.386 9.027 -1.410 296 3HD1 ILE 42 3HD1 ILE 42 4.847 9.270 -0.549 297 HA PRO 43 HA PRO 43 1.144 11.360 -4.163 298 1HB PRO 43 1HB PRO 43 0.923 13.479 -5.875 299 2HB PRO 43 2HB PRO 43 -0.085 13.285 -4.455 300 1HG PRO 43 1HG PRO 43 2.190 15.125 -4.874 301 2HG PRO 43 2HG PRO 43 0.925 15.202 -3.664 302 1HD PRO 43 1HD PRO 43 3.629 14.332 -3.267 303 2HD PRO 43 2HD PRO 43 2.334 14.299 -2.087 304 H GLY 44 H GLY 44 4.067 13.050 -5.073 305 1HA GLY 44 1HA GLY 44 5.745 12.294 -6.404 306 2HA GLY 44 2HA GLY 44 4.484 12.360 -7.619 307 H VAL 45 H VAL 45 4.824 10.127 -4.784 308 HA VAL 45 HA VAL 45 5.407 7.945 -6.613 309 HB VAL 45 HB VAL 45 6.250 6.832 -4.811 310 1HG1 VAL 45 1HG1 VAL 45 7.098 9.376 -5.089 311 2HG1 VAL 45 2HG1 VAL 45 6.576 9.424 -3.388 312 3HG1 VAL 45 3HG1 VAL 45 7.795 8.237 -3.912 313 1HG2 VAL 45 1HG2 VAL 45 4.150 8.265 -3.200 314 2HG2 VAL 45 2HG2 VAL 45 4.454 6.519 -3.371 315 3HG2 VAL 45 3HG2 VAL 45 5.550 7.522 -2.390 316 HA PRO 46 HA PRO 46 1.453 6.211 -6.375 317 1HB PRO 46 1HB PRO 46 1.863 3.524 -6.091 318 2HB PRO 46 2HB PRO 46 2.038 4.364 -7.619 319 1HG PRO 46 1HG PRO 46 4.144 3.345 -5.812 320 2HG PRO 46 2HG PRO 46 4.269 3.791 -7.502 321 1HD PRO 46 1HD PRO 46 5.163 5.327 -5.251 322 2HD PRO 46 2HD PRO 46 5.182 5.823 -6.932 323 H TRP 47 H TRP 47 0.559 7.267 -4.600 324 HA TRP 47 HA TRP 47 0.929 6.913 -2.034 325 1HB TRP 47 1HB TRP 47 -1.574 7.189 -3.626 326 2HB TRP 47 2HB TRP 47 -1.732 6.834 -1.917 327 HD1 TRP 47 HD1 TRP 47 1.157 9.110 -3.031 328 HE1 TRP 47 HE1 TRP 47 0.808 11.589 -2.195 329 HE3 TRP 47 HE3 TRP 47 -3.588 8.427 -1.335 330 HZ2 TRP 47 HZ2 TRP 47 -1.364 12.955 -0.947 331 HZ3 TRP 47 HZ3 TRP 47 -4.752 10.385 -0.322 332 HH2 TRP 47 HH2 TRP 47 -3.716 12.589 -0.114 333 H CYS 48 H CYS 48 -1.064 4.623 -4.043 334 HA CYS 48 HA CYS 48 -0.938 2.714 -1.865 335 1HB CYS 48 1HB CYS 48 -3.040 3.306 -3.252 336 2HB CYS 48 2HB CYS 48 -2.337 2.290 -4.495 337 H PHE 49 H PHE 49 0.853 1.399 -1.813 338 HA PHE 49 HA PHE 49 1.825 0.399 -4.388 339 1HB PHE 49 1HB PHE 49 4.147 0.594 -3.196 340 2HB PHE 49 2HB PHE 49 3.425 2.099 -3.731 341 HD1 PHE 49 HD1 PHE 49 3.685 -0.092 -0.730 342 HD2 PHE 49 HD2 PHE 49 3.148 3.844 -2.220 343 HE1 PHE 49 HE1 PHE 49 3.840 0.813 1.606 344 HE2 PHE 49 HE2 PHE 49 3.303 4.750 0.116 345 HZ PHE 49 HZ PHE 49 3.647 3.223 2.001 346 H LYS 50 H LYS 50 3.339 -1.566 -4.027 347 HA LYS 50 HA LYS 50 1.911 -3.435 -2.457 348 1HB LYS 50 1HB LYS 50 4.464 -3.560 -4.071 349 2HB LYS 50 2HB LYS 50 3.863 -4.937 -3.169 350 1HG LYS 50 1HG LYS 50 1.569 -4.112 -4.488 351 2HG LYS 50 2HG LYS 50 2.804 -3.700 -5.660 352 1HD LYS 50 1HD LYS 50 3.484 -6.292 -4.644 353 2HD LYS 50 2HD LYS 50 1.761 -6.322 -4.965 354 1HE LYS 50 1HE LYS 50 2.787 -4.988 -7.207 355 2HE LYS 50 2HE LYS 50 4.022 -6.184 -6.867 356 1HZ LYS 50 1HZ LYS 50 1.355 -7.191 -6.690 357 2HZ LYS 50 2HZ LYS 50 1.763 -6.674 -8.185 358 3HZ LYS 50 3HZ LYS 50 2.659 -7.821 -7.445 359 HA PRO 51 HA PRO 51 4.120 -3.315 1.248 360 1HB PRO 51 1HB PRO 51 4.232 -5.928 2.041 361 2HB PRO 51 2HB PRO 51 2.801 -4.932 2.220 362 1HG PRO 51 1HG PRO 51 3.332 -7.080 0.259 363 2HG PRO 51 2HG PRO 51 1.796 -6.379 0.730 364 1HD PRO 51 1HD PRO 51 3.253 -5.856 -1.685 365 2HD PRO 51 2HD PRO 51 1.777 -5.070 -1.160 366 H LEU 52 H LEU 52 6.139 -2.684 1.631 367 HA LEU 52 HA LEU 52 8.238 -3.146 0.109 368 1HB LEU 52 1HB LEU 52 8.477 -1.676 1.896 369 2HB LEU 52 2HB LEU 52 8.027 -2.879 3.088 370 HG LEU 52 HG LEU 52 10.588 -3.042 1.486 371 1HD1 LEU 52 1HD1 LEU 52 9.912 -1.360 3.820 372 2HD1 LEU 52 2HD1 LEU 52 11.421 -2.294 3.953 373 3HD1 LEU 52 3HD1 LEU 52 11.185 -1.174 2.590 374 1HD2 LEU 52 1HD2 LEU 52 9.272 -4.828 3.276 375 2HD2 LEU 52 2HD2 LEU 52 10.844 -5.014 2.461 376 3HD2 LEU 52 3HD2 LEU 52 10.757 -4.242 4.063 377 H GLN 53 H GLN 53 9.731 -4.729 -0.404 378 HA GLN 53 HA GLN 53 8.919 -7.356 -0.022 379 1HB GLN 53 1HB GLN 53 11.189 -5.932 -1.294 380 2HB GLN 53 2HB GLN 53 11.588 -7.548 -0.746 381 1HG GLN 53 1HG GLN 53 10.648 -8.281 -2.686 382 2HG GLN 53 2HG GLN 53 9.101 -7.943 -1.934 383 2HE2 GLN 53 2HE2 GLN 53 8.750 -5.366 -1.893 384 1HE2 GLN 53 1HE2 GLN 53 8.823 -4.626 -3.457 385 H GLU 54 H GLU 54 8.644 -7.437 2.358 386 HA GLU 54 HA GLU 54 10.537 -6.942 4.198 387 1HB GLU 54 1HB GLU 54 9.279 -8.292 5.676 388 2HB GLU 54 2HB GLU 54 8.108 -7.802 4.469 389 1HG GLU 54 1HG GLU 54 8.728 -10.012 3.226 390 2HG GLU 54 2HG GLU 54 9.517 -10.489 4.716 391 H ALA 55 H ALA 55 12.631 -7.587 4.411 392 HA ALA 55 HA ALA 55 13.238 -10.386 3.817 393 1HB ALA 55 1HB ALA 55 15.480 -8.877 2.993 394 2HB ALA 55 2HB ALA 55 14.356 -9.791 1.959 395 3HB ALA 55 3HB ALA 55 14.066 -8.064 2.280 396 H GLU 56 H GLU 56 14.841 -7.290 4.869 397 HA GLU 56 HA GLU 56 15.067 -8.070 7.504 398 1HB GLU 56 1HB GLU 56 17.458 -8.658 7.674 399 2HB GLU 56 2HB GLU 56 16.603 -9.817 6.675 400 1HG GLU 56 1HG GLU 56 18.212 -9.438 5.110 401 2HG GLU 56 2HG GLU 56 17.396 -7.919 4.800 402 H CYS 57 H CYS 57 16.896 -6.636 8.644 403 HA CYS 57 HA CYS 57 16.718 -4.042 7.324 404 1HB CYS 57 1HB CYS 57 16.642 -4.961 10.119 405 2HB CYS 57 2HB CYS 57 17.637 -3.542 9.856 406 H THR 58 H THR 58 18.621 -2.844 6.871 407 HA THR 58 HA THR 58 21.157 -4.155 7.574 408 HB THR 58 HB THR 58 20.390 -4.662 5.189 409 HG1 THR 58 HG1 THR 58 22.664 -4.525 5.834 410 1HG2 THR 58 1HG2 THR 58 19.726 -1.933 5.119 411 2HG2 THR 58 2HG2 THR 58 21.286 -2.000 4.264 412 3HG2 THR 58 3HG2 THR 58 19.916 -2.985 3.696 413 H PHE 59 H PHE 59 23.058 -2.646 7.343 414 HA PHE 59 HA PHE 59 24.064 -0.816 8.054 415 1HB PHE 59 1HB PHE 59 23.178 0.043 5.888 416 2HB PHE 59 2HB PHE 59 21.615 0.361 6.614 417 HD1 PHE 59 HD1 PHE 59 25.167 1.417 6.661 418 HD2 PHE 59 HD2 PHE 59 21.165 2.426 7.651 419 HE1 PHE 59 HE1 PHE 59 25.888 3.763 7.188 420 HE2 PHE 59 HE2 PHE 59 21.887 4.771 8.177 421 HZ PHE 59 HZ PHE 59 24.240 5.412 7.939 No H/Q in entry = 421 Start of MODEL 22 1 H GLU 1 H GLU 1 12.744 -9.379 19.079 2 HA GLU 1 HA GLU 1 11.357 -7.811 21.056 3 1HB GLU 1 1HB GLU 1 14.055 -7.488 19.678 4 2HB GLU 1 2HB GLU 1 13.422 -6.323 20.824 5 1HG GLU 1 1HG GLU 1 13.588 -9.264 21.564 6 2HG GLU 1 2HG GLU 1 15.004 -8.240 21.692 7 H GLU 2 H GLU 2 12.440 -7.612 17.613 8 HA GLU 2 HA GLU 2 10.570 -5.389 17.339 9 1HB GLU 2 1HB GLU 2 13.375 -5.734 16.349 10 2HB GLU 2 2HB GLU 2 12.250 -4.978 15.238 11 1HG GLU 2 1HG GLU 2 11.640 -3.662 17.598 12 2HG GLU 2 2HG GLU 2 13.356 -3.949 17.804 13 H TYR 3 H TYR 3 8.905 -5.738 15.920 14 HA TYR 3 HA TYR 3 9.198 -7.141 13.513 15 1HB TYR 3 1HB TYR 3 9.338 -9.008 15.300 16 2HB TYR 3 2HB TYR 3 7.737 -8.541 15.838 17 HD1 TYR 3 HD1 TYR 3 9.545 -9.651 12.746 18 HD2 TYR 3 HD2 TYR 3 5.870 -9.613 14.937 19 HE1 TYR 3 HE1 TYR 3 8.506 -11.229 11.045 20 HE2 TYR 3 HE2 TYR 3 4.843 -11.192 13.228 21 HH TYR 3 HH TYR 3 5.227 -11.730 10.820 22 H VAL 4 H VAL 4 7.641 -6.330 12.195 23 HA VAL 4 HA VAL 4 5.042 -5.732 13.377 24 HB VAL 4 HB VAL 4 6.939 -3.795 12.101 25 1HG1 VAL 4 1HG1 VAL 4 4.902 -3.790 10.687 26 2HG1 VAL 4 2HG1 VAL 4 3.920 -3.458 12.134 27 3HG1 VAL 4 3HG1 VAL 4 5.120 -2.265 11.580 28 1HG2 VAL 4 1HG2 VAL 4 6.354 -4.133 14.663 29 2HG2 VAL 4 2HG2 VAL 4 6.600 -2.510 13.976 30 3HG2 VAL 4 3HG2 VAL 4 4.950 -3.125 14.239 31 H GLY 5 H GLY 5 3.311 -5.667 11.786 32 1HA GLY 5 1HA GLY 5 3.364 -7.646 9.902 33 2HA GLY 5 2HA GLY 5 3.880 -6.217 9.029 34 H LEU 6 H LEU 6 2.285 -4.386 10.865 35 HA LEU 6 HA LEU 6 -0.316 -4.941 9.632 36 1HB LEU 6 1HB LEU 6 -1.392 -4.078 11.687 37 2HB LEU 6 2HB LEU 6 -0.595 -5.629 11.871 38 HG LEU 6 HG LEU 6 1.082 -3.304 12.581 39 1HD1 LEU 6 1HD1 LEU 6 -1.468 -2.943 13.343 40 2HD1 LEU 6 2HD1 LEU 6 -0.903 -3.965 14.686 41 3HD1 LEU 6 3HD1 LEU 6 -0.071 -2.434 14.321 42 1HD2 LEU 6 1HD2 LEU 6 1.490 -5.854 12.894 43 2HD2 LEU 6 2HD2 LEU 6 1.957 -4.722 14.186 44 3HD2 LEU 6 3HD2 LEU 6 0.454 -5.665 14.329 45 H SER 7 H SER 7 -0.012 -3.468 7.952 46 HA SER 7 HA SER 7 0.397 -1.546 6.970 47 1HB SER 7 1HB SER 7 -1.146 0.237 7.616 48 2HB SER 7 2HB SER 7 -1.944 -1.313 7.795 49 HG SER 7 HG SER 7 -1.903 -1.151 9.992 50 H ALA 8 H ALA 8 2.644 -1.152 7.220 51 HA ALA 8 HA ALA 8 3.545 1.133 8.221 52 1HB ALA 8 1HB ALA 8 3.205 -0.866 10.438 53 2HB ALA 8 2HB ALA 8 2.999 0.902 10.458 54 3HB ALA 8 3HB ALA 8 4.633 0.196 10.465 55 H ASN 9 H ASN 9 5.139 -1.710 9.640 56 HA ASN 9 HA ASN 9 7.503 -1.356 8.481 57 1HB ASN 9 1HB ASN 9 6.831 -3.125 10.213 58 2HB ASN 9 2HB ASN 9 6.237 -4.114 8.893 59 2HD2 ASN 9 2HD2 ASN 9 8.622 -4.000 10.924 60 1HD2 ASN 9 1HD2 ASN 9 9.986 -4.505 9.982 61 H GLN 10 H GLN 10 4.735 -3.349 7.219 62 HA GLN 10 HA GLN 10 6.079 -4.168 4.914 63 1HB GLN 10 1HB GLN 10 3.798 -4.846 4.134 64 2HB GLN 10 2HB GLN 10 4.157 -5.405 5.756 65 1HG GLN 10 1HG GLN 10 2.946 -2.732 5.813 66 2HG GLN 10 2HG GLN 10 1.925 -3.863 4.948 67 2HE2 GLN 10 2HE2 GLN 10 3.094 -2.805 7.960 68 1HE2 GLN 10 1HE2 GLN 10 2.333 -3.970 8.991 69 H CYS 11 H CYS 11 4.255 -1.257 5.795 70 HA CYS 11 HA CYS 11 4.464 -0.362 3.015 71 1HB CYS 11 1HB CYS 11 2.796 1.140 4.961 72 2HB CYS 11 2HB CYS 11 2.567 0.874 3.244 73 H ALA 12 H ALA 12 6.822 -0.424 4.520 74 HA ALA 12 HA ALA 12 7.139 2.387 5.325 75 1HB ALA 12 1HB ALA 12 9.187 0.473 6.228 76 2HB ALA 12 2HB ALA 12 7.557 0.102 6.839 77 3HB ALA 12 3HB ALA 12 8.282 1.697 7.151 78 H VAL 13 H VAL 13 7.168 2.052 2.655 79 HA VAL 13 HA VAL 13 9.897 1.457 1.848 80 HB VAL 13 HB VAL 13 7.949 2.437 -0.130 81 1HG1 VAL 13 1HG1 VAL 13 10.183 0.551 0.085 82 2HG1 VAL 13 2HG1 VAL 13 8.819 -0.087 -0.864 83 3HG1 VAL 13 3HG1 VAL 13 9.577 1.457 -1.323 84 1HG2 VAL 13 1HG2 VAL 13 7.376 0.011 1.575 85 2HG2 VAL 13 2HG2 VAL 13 6.280 1.325 1.084 86 3HG2 VAL 13 3HG2 VAL 13 6.812 0.117 -0.110 87 HA PRO 14 HA PRO 14 11.015 5.627 1.688 88 1HB PRO 14 1HB PRO 14 13.039 5.576 -0.147 89 2HB PRO 14 2HB PRO 14 13.250 5.099 1.526 90 1HG PRO 14 1HG PRO 14 13.060 3.390 -0.879 91 2HG PRO 14 2HG PRO 14 13.683 2.986 0.708 92 1HD PRO 14 1HD PRO 14 11.138 2.232 -0.378 93 2HD PRO 14 2HD PRO 14 11.715 1.928 1.248 94 H ALA 15 H ALA 15 9.271 4.208 -0.640 95 HA ALA 15 HA ALA 15 7.806 5.237 -2.014 96 1HB ALA 15 1HB ALA 15 9.348 7.776 -2.288 97 2HB ALA 15 2HB ALA 15 8.678 7.425 -0.677 98 3HB ALA 15 3HB ALA 15 7.598 7.515 -2.089 99 H LYS 16 H LYS 16 11.324 5.340 -2.327 100 HA LYS 16 HA LYS 16 11.158 5.460 -5.218 101 1HB LYS 16 1HB LYS 16 13.589 5.534 -5.134 102 2HB LYS 16 2HB LYS 16 12.896 6.740 -4.069 103 1HG LYS 16 1HG LYS 16 14.352 5.860 -2.529 104 2HG LYS 16 2HG LYS 16 13.097 4.657 -2.310 105 1HD LYS 16 1HD LYS 16 15.107 3.404 -2.653 106 2HD LYS 16 2HD LYS 16 14.235 3.290 -4.169 107 1HE LYS 16 1HE LYS 16 15.610 5.177 -5.092 108 2HE LYS 16 2HE LYS 16 16.489 5.270 -3.580 109 1HZ LYS 16 1HZ LYS 16 16.338 2.734 -5.010 110 2HZ LYS 16 2HZ LYS 16 17.419 3.866 -5.473 111 3HZ LYS 16 3HZ LYS 16 17.476 3.253 -3.961 112 H ASP 17 H ASP 17 10.295 3.167 -3.128 113 HA ASP 17 HA ASP 17 11.435 1.088 -4.818 114 1HB ASP 17 1HB ASP 17 11.818 1.448 -1.999 115 2HB ASP 17 2HB ASP 17 10.739 0.080 -2.179 116 H ARG 18 H ARG 18 8.809 2.741 -4.606 117 HA ARG 18 HA ARG 18 6.893 0.919 -3.624 118 1HB ARG 18 1HB ARG 18 6.358 3.239 -5.532 119 2HB ARG 18 2HB ARG 18 5.258 2.556 -4.352 120 1HG ARG 18 1HG ARG 18 7.890 3.719 -3.409 121 2HG ARG 18 2HG ARG 18 6.577 4.805 -3.818 122 1HD ARG 18 1HD ARG 18 5.287 2.886 -2.251 123 2HD ARG 18 2HD ARG 18 6.861 2.991 -1.488 124 HE ARG 18 HE ARG 18 5.548 5.575 -2.099 125 1HH1 ARG 18 1HH1 ARG 18 6.256 3.102 0.303 126 2HH1 ARG 18 2HH1 ARG 18 5.927 4.138 1.652 127 1HH2 ARG 18 1HH2 ARG 18 5.115 6.942 -0.320 128 2HH2 ARG 18 2HH2 ARG 18 5.274 6.337 1.296 129 H VAL 19 H VAL 19 5.591 -0.558 -4.787 130 HA VAL 19 HA VAL 19 6.478 -1.051 -7.522 131 HB VAL 19 HB VAL 19 4.798 -2.741 -5.660 132 1HG1 VAL 19 1HG1 VAL 19 5.633 -3.006 -8.461 133 2HG1 VAL 19 2HG1 VAL 19 6.065 -4.413 -7.460 134 3HG1 VAL 19 3HG1 VAL 19 4.372 -3.873 -7.552 135 1HG2 VAL 19 1HG2 VAL 19 7.347 -2.120 -5.126 136 2HG2 VAL 19 2HG2 VAL 19 6.671 -3.737 -4.814 137 3HG2 VAL 19 3HG2 VAL 19 7.632 -3.443 -6.283 138 H ASP 20 H ASP 20 4.152 0.744 -5.914 139 HA ASP 20 HA ASP 20 2.210 1.569 -6.424 140 1HB ASP 20 1HB ASP 20 3.214 2.570 -8.337 141 2HB ASP 20 2HB ASP 20 3.376 1.038 -9.171 142 H CYS 21 H CYS 21 0.553 0.197 -5.676 143 HA CYS 21 HA CYS 21 0.107 -2.351 -6.792 144 1HB CYS 21 1HB CYS 21 -0.503 -1.231 -4.438 145 2HB CYS 21 2HB CYS 21 -2.040 -0.988 -5.245 146 H GLY 22 H GLY 22 -0.951 0.950 -7.479 147 1HA GLY 22 1HA GLY 22 -2.163 0.175 -9.935 148 2HA GLY 22 2HA GLY 22 -2.107 1.779 -9.230 149 H TYR 23 H TYR 23 -3.777 2.473 -7.740 150 HA TYR 23 HA TYR 23 -6.231 0.914 -8.078 151 1HB TYR 23 1HB TYR 23 -4.706 1.786 -5.605 152 2HB TYR 23 2HB TYR 23 -6.449 1.956 -5.526 153 HD1 TYR 23 HD1 TYR 23 -7.765 -0.250 -6.404 154 HD2 TYR 23 HD2 TYR 23 -3.802 -0.186 -4.793 155 HE1 TYR 23 HE1 TYR 23 -7.970 -2.707 -5.782 156 HE2 TYR 23 HE2 TYR 23 -4.020 -2.643 -4.176 157 HH TYR 23 HH TYR 23 -6.057 -4.187 -3.633 158 HA PRO 24 HA PRO 24 -7.866 4.844 -8.862 159 1HB PRO 24 1HB PRO 24 -10.538 4.353 -8.566 160 2HB PRO 24 2HB PRO 24 -9.644 3.950 -10.019 161 1HG PRO 24 1HG PRO 24 -10.617 2.153 -7.883 162 2HG PRO 24 2HG PRO 24 -10.114 1.749 -9.512 163 1HD PRO 24 1HD PRO 24 -8.607 1.356 -7.103 164 2HD PRO 24 2HD PRO 24 -8.060 1.061 -8.741 165 H HIS 25 H HIS 25 -10.027 3.627 -6.353 166 HA HIS 25 HA HIS 25 -9.664 6.166 -5.010 167 1HB HIS 25 1HB HIS 25 -11.616 5.633 -3.781 168 2HB HIS 25 2HB HIS 25 -11.928 5.185 -5.446 169 HD1 HIS 25 HD1 HIS 25 -13.530 3.933 -3.082 170 HD2 HIS 25 HD2 HIS 25 -10.153 2.189 -4.857 171 HE1 HIS 25 HE1 HIS 25 -13.680 1.432 -2.599 172 HE2 HIS 25 HE2 HIS 25 -11.607 0.407 -3.761 173 H VAL 26 H VAL 26 -7.463 5.892 -4.292 174 HA VAL 26 HA VAL 26 -7.030 3.697 -2.422 175 HB VAL 26 HB VAL 26 -4.675 4.486 -2.519 176 1HG1 VAL 26 1HG1 VAL 26 -5.453 2.672 -3.965 177 2HG1 VAL 26 2HG1 VAL 26 -5.966 3.853 -5.195 178 3HG1 VAL 26 3HG1 VAL 26 -4.240 3.669 -4.803 179 1HG2 VAL 26 1HG2 VAL 26 -5.840 6.801 -3.656 180 2HG2 VAL 26 2HG2 VAL 26 -4.114 6.463 -3.383 181 3HG2 VAL 26 3HG2 VAL 26 -4.868 6.040 -4.939 182 H THR 27 H THR 27 -7.395 4.003 -0.292 183 HA THR 27 HA THR 27 -6.979 6.717 0.762 184 HB THR 27 HB THR 27 -9.081 6.628 1.899 185 HG1 THR 27 HG1 THR 27 -10.094 4.548 2.188 186 1HG2 THR 27 1HG2 THR 27 -9.106 6.162 -0.898 187 2HG2 THR 27 2HG2 THR 27 -10.242 4.967 -0.227 188 3HG2 THR 27 3HG2 THR 27 -10.483 6.702 0.092 189 HA PRO 28 HA PRO 28 -4.857 4.822 3.976 190 1HB PRO 28 1HB PRO 28 -5.558 6.227 6.213 191 2HB PRO 28 2HB PRO 28 -4.409 6.820 5.030 192 1HG PRO 28 1HG PRO 28 -7.212 7.651 5.470 193 2HG PRO 28 2HG PRO 28 -5.938 8.495 4.611 194 1HD PRO 28 1HD PRO 28 -8.118 7.036 3.450 195 2HD PRO 28 2HD PRO 28 -6.782 7.781 2.595 196 H LYS 29 H LYS 29 -7.177 3.404 3.224 197 HA LYS 29 HA LYS 29 -7.282 1.615 5.348 198 1HB LYS 29 1HB LYS 29 -8.620 3.682 6.245 199 2HB LYS 29 2HB LYS 29 -9.895 3.097 5.195 200 1HG LYS 29 1HG LYS 29 -8.605 0.975 6.837 201 2HG LYS 29 2HG LYS 29 -9.433 2.201 7.776 202 1HD LYS 29 1HD LYS 29 -10.814 0.967 5.375 203 2HD LYS 29 2HD LYS 29 -10.771 0.092 6.893 204 1HE LYS 29 1HE LYS 29 -11.506 2.847 7.433 205 2HE LYS 29 2HE LYS 29 -12.525 2.239 6.144 206 1HZ LYS 29 1HZ LYS 29 -12.177 0.354 8.237 207 2HZ LYS 29 2HZ LYS 29 -12.854 1.742 8.766 208 3HZ LYS 29 3HZ LYS 29 -13.555 0.903 7.553 209 H GLU 30 H GLU 30 -8.888 3.122 2.518 210 HA GLU 30 HA GLU 30 -10.182 0.693 1.824 211 1HB GLU 30 1HB GLU 30 -11.034 3.015 1.269 212 2HB GLU 30 2HB GLU 30 -9.725 3.177 0.114 213 1HG GLU 30 1HG GLU 30 -10.846 1.961 -1.442 214 2HG GLU 30 2HG GLU 30 -11.096 0.641 -0.316 215 H CYS 31 H CYS 31 -7.235 2.496 0.804 216 HA CYS 31 HA CYS 31 -6.632 0.834 -1.364 217 1HB CYS 31 1HB CYS 31 -5.505 2.806 -1.493 218 2HB CYS 31 2HB CYS 31 -5.210 2.896 0.232 219 H ASN 32 H ASN 32 -5.972 0.746 2.162 220 HA ASN 32 HA ASN 32 -4.200 -1.470 1.880 221 1HB ASN 32 1HB ASN 32 -3.574 -0.814 3.978 222 2HB ASN 32 2HB ASN 32 -4.751 0.480 3.871 223 2HD2 ASN 32 2HD2 ASN 32 -7.081 -0.262 4.247 224 1HD2 ASN 32 1HD2 ASN 32 -7.362 -1.286 5.615 225 H ASN 33 H ASN 33 -7.538 -1.027 1.685 226 HA ASN 33 HA ASN 33 -8.169 -3.471 3.101 227 1HB ASN 33 1HB ASN 33 -9.702 -1.634 3.556 228 2HB ASN 33 2HB ASN 33 -9.865 -1.257 1.852 229 2HD2 ASN 33 2HD2 ASN 33 -11.285 -2.324 0.598 230 1HD2 ASN 33 1HD2 ASN 33 -12.390 -3.538 1.150 231 H ARG 34 H ARG 34 -8.180 -1.874 -0.130 232 HA ARG 34 HA ARG 34 -9.571 -3.783 -1.514 233 1HB ARG 34 1HB ARG 34 -8.392 -1.398 -2.148 234 2HB ARG 34 2HB ARG 34 -7.233 -2.484 -2.889 235 1HG ARG 34 1HG ARG 34 -9.081 -1.783 -4.453 236 2HG ARG 34 2HG ARG 34 -8.957 -3.521 -4.263 237 1HD ARG 34 1HD ARG 34 -10.997 -3.689 -3.205 238 2HD ARG 34 2HD ARG 34 -10.761 -2.216 -2.286 239 HE ARG 34 HE ARG 34 -11.084 -1.403 -4.967 240 1HH1 ARG 34 1HH1 ARG 34 -12.986 -3.098 -2.540 241 2HH1 ARG 34 2HH1 ARG 34 -14.507 -2.569 -3.178 242 1HH2 ARG 34 1HH2 ARG 34 -13.090 -0.705 -5.809 243 2HH2 ARG 34 2HH2 ARG 34 -14.566 -1.199 -5.050 244 H GLY 35 H GLY 35 -6.285 -3.777 -0.226 245 1HA GLY 35 1HA GLY 35 -5.747 -6.332 -1.623 246 2HA GLY 35 2HA GLY 35 -5.385 -6.050 0.069 247 H CYS 36 H CYS 36 -3.905 -4.084 0.550 248 HA CYS 36 HA CYS 36 -1.483 -4.448 -0.602 249 1HB CYS 36 1HB CYS 36 -3.105 -3.085 -2.453 250 2HB CYS 36 2HB CYS 36 -2.045 -1.865 -1.775 251 H CYS 37 H CYS 37 -0.580 -1.628 -0.578 252 HA CYS 37 HA CYS 37 -1.282 -0.950 2.186 253 1HB CYS 37 1HB CYS 37 1.376 -1.187 0.854 254 2HB CYS 37 2HB CYS 37 1.163 0.095 2.030 255 H PHE 38 H PHE 38 -1.320 1.381 2.640 256 HA PHE 38 HA PHE 38 -1.612 2.958 0.181 257 1HB PHE 38 1HB PHE 38 -3.716 2.644 1.459 258 2HB PHE 38 2HB PHE 38 -2.910 3.029 2.966 259 HD1 PHE 38 HD1 PHE 38 -4.186 4.442 -0.186 260 HD2 PHE 38 HD2 PHE 38 -2.582 5.298 3.649 261 HE1 PHE 38 HE1 PHE 38 -4.847 6.849 -0.447 262 HE2 PHE 38 HE2 PHE 38 -3.244 7.705 3.388 263 HZ PHE 38 HZ PHE 38 -4.369 8.452 1.344 264 H ASP 39 H ASP 39 -1.394 5.458 0.755 265 HA ASP 39 HA ASP 39 0.205 6.204 2.870 266 1HB ASP 39 1HB ASP 39 2.004 4.924 1.815 267 2HB ASP 39 2HB ASP 39 1.679 5.656 0.256 268 H SER 40 H SER 40 0.348 8.534 2.864 269 HA SER 40 HA SER 40 -0.476 9.797 0.373 270 1HB SER 40 1HB SER 40 -1.913 11.354 1.644 271 2HB SER 40 2HB SER 40 -2.437 9.697 1.867 272 HG SER 40 HG SER 40 -1.076 11.425 3.713 273 H ARG 41 H ARG 41 2.112 9.314 2.071 274 HA ARG 41 HA ARG 41 2.863 11.683 3.225 275 1HB ARG 41 1HB ARG 41 4.010 9.224 2.946 276 2HB ARG 41 2HB ARG 41 4.953 10.094 1.752 277 1HG ARG 41 1HG ARG 41 6.134 11.208 3.349 278 2HG ARG 41 2HG ARG 41 4.681 11.668 4.213 279 1HD ARG 41 1HD ARG 41 5.043 10.066 5.784 280 2HD ARG 41 2HD ARG 41 5.101 8.815 4.559 281 HE ARG 41 HE ARG 41 7.570 10.237 4.458 282 1HH1 ARG 41 1HH1 ARG 41 5.814 8.097 6.631 283 2HH1 ARG 41 2HH1 ARG 41 7.246 7.459 7.366 284 1HH2 ARG 41 1HH2 ARG 41 9.460 9.395 5.428 285 2HH2 ARG 41 2HH2 ARG 41 9.334 8.202 6.678 286 H ILE 42 H ILE 42 3.428 10.434 -0.143 287 HA ILE 42 HA ILE 42 3.567 13.194 -1.050 288 HB ILE 42 HB ILE 42 5.567 12.058 -2.525 289 1HG1 ILE 42 1HG1 ILE 42 7.151 11.066 -0.900 290 2HG1 ILE 42 2HG1 ILE 42 5.899 11.078 0.326 291 1HG2 ILE 42 1HG2 ILE 42 5.349 14.334 -1.398 292 2HG2 ILE 42 2HG2 ILE 42 6.082 13.573 0.035 293 3HG2 ILE 42 3HG2 ILE 42 6.982 13.632 -1.500 294 1HD1 ILE 42 1HD1 ILE 42 5.016 9.831 -2.209 295 2HD1 ILE 42 2HD1 ILE 42 6.386 8.994 -1.441 296 3HD1 ILE 42 3HD1 ILE 42 4.871 9.234 -0.538 297 HA PRO 43 HA PRO 43 1.125 11.362 -4.120 298 1HB PRO 43 1HB PRO 43 0.894 13.490 -5.819 299 2HB PRO 43 2HB PRO 43 -0.098 13.294 -4.388 300 1HG PRO 43 1HG PRO 43 2.181 15.125 -4.826 301 2HG PRO 43 2HG PRO 43 0.932 15.202 -3.600 302 1HD PRO 43 1HD PRO 43 3.636 14.317 -3.241 303 2HD PRO 43 2HD PRO 43 2.355 14.286 -2.045 304 H GLY 44 H GLY 44 4.038 13.054 -5.069 305 1HA GLY 44 1HA GLY 44 5.696 12.302 -6.427 306 2HA GLY 44 2HA GLY 44 4.415 12.360 -7.621 307 H VAL 45 H VAL 45 4.869 10.140 -4.787 308 HA VAL 45 HA VAL 45 5.421 7.955 -6.614 309 HB VAL 45 HB VAL 45 6.297 6.861 -4.822 310 1HG1 VAL 45 1HG1 VAL 45 7.110 9.409 -5.088 311 2HG1 VAL 45 2HG1 VAL 45 6.562 9.464 -3.396 312 3HG1 VAL 45 3HG1 VAL 45 7.807 8.291 -3.890 313 1HG2 VAL 45 1HG2 VAL 45 4.213 8.277 -3.159 314 2HG2 VAL 45 2HG2 VAL 45 4.454 6.532 -3.413 315 3HG2 VAL 45 3HG2 VAL 45 5.597 7.451 -2.404 316 HA PRO 46 HA PRO 46 1.488 6.178 -6.333 317 1HB PRO 46 1HB PRO 46 1.917 3.502 -5.981 318 2HB PRO 46 2HB PRO 46 2.090 4.305 -7.529 319 1HG PRO 46 1HG PRO 46 4.199 3.347 -5.693 320 2HG PRO 46 2HG PRO 46 4.325 3.753 -7.393 321 1HD PRO 46 1HD PRO 46 5.201 5.350 -5.177 322 2HD PRO 46 2HD PRO 46 5.221 5.804 -6.870 323 H TRP 47 H TRP 47 0.534 7.239 -4.608 324 HA TRP 47 HA TRP 47 0.920 6.946 -2.020 325 1HB TRP 47 1HB TRP 47 -1.555 7.239 -3.640 326 2HB TRP 47 2HB TRP 47 -1.754 6.869 -1.938 327 HD1 TRP 47 HD1 TRP 47 1.160 9.145 -3.010 328 HE1 TRP 47 HE1 TRP 47 0.820 11.613 -2.143 329 HE3 TRP 47 HE3 TRP 47 -3.586 8.455 -1.321 330 HZ2 TRP 47 HZ2 TRP 47 -1.348 12.970 -0.876 331 HZ3 TRP 47 HZ3 TRP 47 -4.743 10.403 -0.282 332 HH2 TRP 47 HH2 TRP 47 -3.701 12.601 -0.046 333 H CYS 48 H CYS 48 -1.014 4.619 -4.036 334 HA CYS 48 HA CYS 48 -0.940 2.749 -1.815 335 1HB CYS 48 1HB CYS 48 -3.037 3.312 -3.191 336 2HB CYS 48 2HB CYS 48 -2.325 2.333 -4.458 337 H PHE 49 H PHE 49 0.868 1.458 -1.726 338 HA PHE 49 HA PHE 49 1.855 0.408 -4.276 339 1HB PHE 49 1HB PHE 49 4.165 0.616 -3.066 340 2HB PHE 49 2HB PHE 49 3.449 2.116 -3.621 341 HD1 PHE 49 HD1 PHE 49 3.621 -0.053 -0.593 342 HD2 PHE 49 HD2 PHE 49 3.221 3.881 -2.135 343 HE1 PHE 49 HE1 PHE 49 3.756 0.874 1.736 344 HE2 PHE 49 HE2 PHE 49 3.357 4.807 0.194 345 HZ PHE 49 HZ PHE 49 3.623 3.293 2.101 346 H LYS 50 H LYS 50 3.293 -1.581 -3.920 347 HA LYS 50 HA LYS 50 1.867 -3.397 -2.287 348 1HB LYS 50 1HB LYS 50 4.399 -3.622 -3.931 349 2HB LYS 50 2HB LYS 50 3.722 -4.969 -3.038 350 1HG LYS 50 1HG LYS 50 1.482 -4.004 -4.364 351 2HG LYS 50 2HG LYS 50 2.747 -3.672 -5.530 352 1HD LYS 50 1HD LYS 50 3.279 -6.293 -4.527 353 2HD LYS 50 2HD LYS 50 1.550 -6.230 -4.808 354 1HE LYS 50 1HE LYS 50 2.560 -4.968 -7.082 355 2HE LYS 50 2HE LYS 50 3.778 -6.186 -6.765 356 1HZ LYS 50 1HZ LYS 50 1.238 -7.299 -6.429 357 2HZ LYS 50 2HZ LYS 50 1.302 -6.563 -7.885 358 3HZ LYS 50 3HZ LYS 50 2.397 -7.712 -7.502 359 HA PRO 51 HA PRO 51 4.174 -3.268 1.357 360 1HB PRO 51 1HB PRO 51 4.232 -5.869 2.195 361 2HB PRO 51 2HB PRO 51 2.835 -4.829 2.392 362 1HG PRO 51 1HG PRO 51 3.253 -7.026 0.458 363 2HG PRO 51 2HG PRO 51 1.751 -6.272 0.956 364 1HD PRO 51 1HD PRO 51 3.157 -5.834 -1.505 365 2HD PRO 51 2HD PRO 51 1.719 -4.997 -0.956 366 H LEU 52 H LEU 52 6.216 -2.638 1.582 367 HA LEU 52 HA LEU 52 8.251 -3.248 0.027 368 1HB LEU 52 1HB LEU 52 8.421 -1.671 1.818 369 2HB LEU 52 2HB LEU 52 8.278 -2.932 3.027 370 HG LEU 52 HG LEU 52 10.597 -2.633 1.097 371 1HD1 LEU 52 1HD1 LEU 52 10.387 -1.899 4.031 372 2HD1 LEU 52 2HD1 LEU 52 11.882 -1.890 3.065 373 3HD1 LEU 52 3HD1 LEU 52 10.553 -0.777 2.659 374 1HD2 LEU 52 1HD2 LEU 52 9.813 -4.734 3.016 375 2HD2 LEU 52 2HD2 LEU 52 10.866 -4.811 1.583 376 3HD2 LEU 52 3HD2 LEU 52 11.507 -4.196 3.126 377 H GLN 53 H GLN 53 9.502 -4.955 -0.580 378 HA GLN 53 HA GLN 53 8.702 -7.505 0.172 379 1HB GLN 53 1HB GLN 53 10.678 -8.258 -1.150 380 2HB GLN 53 2HB GLN 53 9.728 -7.057 -2.002 381 1HG GLN 53 1HG GLN 53 11.773 -5.775 -0.334 382 2HG GLN 53 2HG GLN 53 12.500 -6.938 -1.425 383 2HE2 GLN 53 2HE2 GLN 53 11.073 -3.878 -1.066 384 1HE2 GLN 53 1HE2 GLN 53 11.055 -3.369 -2.722 385 H GLU 54 H GLU 54 8.792 -7.305 2.572 386 HA GLU 54 HA GLU 54 10.972 -6.733 4.033 387 1HB GLU 54 1HB GLU 54 9.882 -7.782 5.827 388 2HB GLU 54 2HB GLU 54 8.556 -7.456 4.729 389 1HG GLU 54 1HG GLU 54 8.892 -9.819 3.782 390 2HG GLU 54 2HG GLU 54 10.021 -10.108 5.091 391 H ALA 55 H ALA 55 13.038 -7.495 4.061 392 HA ALA 55 HA ALA 55 13.453 -10.356 3.844 393 1HB ALA 55 1HB ALA 55 14.826 -10.291 1.941 394 2HB ALA 55 2HB ALA 55 13.493 -9.196 1.503 395 3HB ALA 55 3HB ALA 55 15.051 -8.528 2.043 396 H GLU 56 H GLU 56 15.268 -11.029 5.007 397 HA GLU 56 HA GLU 56 17.326 -9.268 5.681 398 1HB GLU 56 1HB GLU 56 15.058 -8.891 7.280 399 2HB GLU 56 2HB GLU 56 16.058 -9.950 8.254 400 1HG GLU 56 1HG GLU 56 17.663 -8.342 8.600 401 2HG GLU 56 2HG GLU 56 17.568 -7.744 6.955 402 H CYS 57 H CYS 57 18.958 -10.351 7.133 403 HA CYS 57 HA CYS 57 18.468 -13.090 7.787 404 1HB CYS 57 1HB CYS 57 18.970 -13.188 5.344 405 2HB CYS 57 2HB CYS 57 20.543 -12.488 5.670 406 H THR 58 H THR 58 21.225 -10.861 6.923 407 HA THR 58 HA THR 58 22.002 -10.823 9.734 408 HB THR 58 HB THR 58 23.762 -11.792 7.422 409 HG1 THR 58 HG1 THR 58 23.649 -13.716 8.754 410 1HG2 THR 58 1HG2 THR 58 24.769 -10.304 9.450 411 2HG2 THR 58 2HG2 THR 58 24.604 -11.850 10.318 412 3HG2 THR 58 3HG2 THR 58 25.612 -11.754 8.854 413 H PHE 59 H PHE 59 23.068 -8.958 10.378 414 HA PHE 59 HA PHE 59 22.452 -6.629 9.276 415 1HB PHE 59 1HB PHE 59 24.020 -7.507 11.335 416 2HB PHE 59 2HB PHE 59 25.306 -7.029 10.244 417 HD1 PHE 59 HD1 PHE 59 22.468 -5.821 12.239 418 HD2 PHE 59 HD2 PHE 59 25.753 -4.709 9.793 419 HE1 PHE 59 HE1 PHE 59 22.236 -3.443 13.008 420 HE2 PHE 59 HE2 PHE 59 25.520 -2.331 10.562 421 HZ PHE 59 HZ PHE 59 23.765 -1.726 12.161 No H/Q in entry = 421 Start of MODEL 23 1 H GLU 1 H GLU 1 5.663 -11.160 24.342 2 HA GLU 1 HA GLU 1 6.919 -9.838 23.054 3 1HB GLU 1 1HB GLU 1 5.882 -12.120 21.772 4 2HB GLU 1 2HB GLU 1 5.763 -10.864 20.556 5 1HG GLU 1 1HG GLU 1 7.950 -11.680 20.222 6 2HG GLU 1 2HG GLU 1 8.227 -10.265 21.218 7 H GLU 2 H GLU 2 3.595 -9.937 21.578 8 HA GLU 2 HA GLU 2 2.401 -8.421 20.578 9 1HB GLU 2 1HB GLU 2 3.599 -7.046 22.891 10 2HB GLU 2 2HB GLU 2 3.122 -5.925 21.631 11 1HG GLU 2 1HG GLU 2 0.863 -6.410 21.849 12 2HG GLU 2 2HG GLU 2 1.148 -8.089 22.263 13 H TYR 3 H TYR 3 2.908 -8.264 18.419 14 HA TYR 3 HA TYR 3 4.435 -6.040 17.547 15 1HB TYR 3 1HB TYR 3 5.967 -8.196 18.283 16 2HB TYR 3 2HB TYR 3 5.511 -8.752 16.686 17 HD1 TYR 3 HD1 TYR 3 5.824 -6.865 14.770 18 HD2 TYR 3 HD2 TYR 3 7.958 -7.024 18.475 19 HE1 TYR 3 HE1 TYR 3 7.698 -5.477 13.758 20 HE2 TYR 3 HE2 TYR 3 9.825 -5.635 17.450 21 HH TYR 3 HH TYR 3 9.865 -4.909 14.034 22 H VAL 4 H VAL 4 3.980 -5.542 15.386 23 HA VAL 4 HA VAL 4 3.104 -7.397 13.505 24 HB VAL 4 HB VAL 4 1.164 -7.664 14.922 25 1HG1 VAL 4 1HG1 VAL 4 1.282 -4.703 15.028 26 2HG1 VAL 4 2HG1 VAL 4 -0.346 -5.408 14.895 27 3HG1 VAL 4 3HG1 VAL 4 0.720 -5.877 16.241 28 1HG2 VAL 4 1HG2 VAL 4 1.090 -6.747 12.194 29 2HG2 VAL 4 2HG2 VAL 4 0.051 -7.940 13.010 30 3HG2 VAL 4 3HG2 VAL 4 -0.382 -6.214 13.041 31 H GLY 5 H GLY 5 3.334 -6.450 11.515 32 1HA GLY 5 1HA GLY 5 4.182 -4.807 10.167 33 2HA GLY 5 2HA GLY 5 4.072 -3.648 11.476 34 H LEU 6 H LEU 6 1.156 -4.633 11.977 35 HA LEU 6 HA LEU 6 -0.540 -4.418 9.959 36 1HB LEU 6 1HB LEU 6 -0.674 -4.157 12.691 37 2HB LEU 6 2HB LEU 6 -1.271 -2.603 12.143 38 HG LEU 6 HG LEU 6 -2.432 -4.945 10.754 39 1HD1 LEU 6 1HD1 LEU 6 -2.113 -5.298 13.444 40 2HD1 LEU 6 2HD1 LEU 6 -3.711 -4.517 13.369 41 3HD1 LEU 6 3HD1 LEU 6 -3.410 -6.018 12.460 42 1HD2 LEU 6 1HD2 LEU 6 -3.214 -2.224 11.616 43 2HD2 LEU 6 2HD2 LEU 6 -3.602 -3.123 10.130 44 3HD2 LEU 6 3HD2 LEU 6 -4.506 -3.448 11.629 45 H SER 7 H SER 7 -0.081 -3.272 8.111 46 HA SER 7 HA SER 7 0.488 -1.573 6.839 47 1HB SER 7 1HB SER 7 -1.093 0.329 6.960 48 2HB SER 7 2HB SER 7 -1.921 -1.201 7.172 49 HG SER 7 HG SER 7 -2.119 0.857 8.773 50 H ALA 8 H ALA 8 2.687 -1.129 7.363 51 HA ALA 8 HA ALA 8 3.360 1.389 8.118 52 1HB ALA 8 1HB ALA 8 2.945 -0.434 10.461 53 2HB ALA 8 2HB ALA 8 2.715 1.326 10.329 54 3HB ALA 8 3HB ALA 8 4.354 0.652 10.496 55 H ASN 9 H ASN 9 4.644 -1.750 9.420 56 HA ASN 9 HA ASN 9 7.217 -1.223 8.609 57 1HB ASN 9 1HB ASN 9 6.806 -2.940 10.275 58 2HB ASN 9 2HB ASN 9 5.729 -3.821 9.209 59 2HD2 ASN 9 2HD2 ASN 9 7.260 -5.533 9.976 60 1HD2 ASN 9 1HD2 ASN 9 8.665 -5.860 9.017 61 H GLN 10 H GLN 10 4.678 -3.421 7.181 62 HA GLN 10 HA GLN 10 6.193 -4.119 4.964 63 1HB GLN 10 1HB GLN 10 3.956 -4.852 4.017 64 2HB GLN 10 2HB GLN 10 4.329 -5.498 5.603 65 1HG GLN 10 1HG GLN 10 3.039 -3.080 6.197 66 2HG GLN 10 2HG GLN 10 2.166 -3.656 4.791 67 2HE2 GLN 10 2HE2 GLN 10 3.429 -4.660 7.946 68 1HE2 GLN 10 1HE2 GLN 10 2.185 -5.799 8.338 69 H CYS 11 H CYS 11 4.304 -1.257 5.750 70 HA CYS 11 HA CYS 11 4.532 -0.390 2.962 71 1HB CYS 11 1HB CYS 11 2.830 1.126 4.865 72 2HB CYS 11 2HB CYS 11 2.617 0.819 3.153 73 H ALA 12 H ALA 12 6.866 -0.421 4.525 74 HA ALA 12 HA ALA 12 7.144 2.394 5.328 75 1HB ALA 12 1HB ALA 12 9.233 0.502 6.186 76 2HB ALA 12 2HB ALA 12 7.615 0.098 6.807 77 3HB ALA 12 3HB ALA 12 8.318 1.700 7.133 78 H VAL 13 H VAL 13 7.151 2.024 2.635 79 HA VAL 13 HA VAL 13 9.886 1.518 1.806 80 HB VAL 13 HB VAL 13 7.893 2.488 -0.137 81 1HG1 VAL 13 1HG1 VAL 13 10.192 0.687 0.008 82 2HG1 VAL 13 2HG1 VAL 13 8.833 -0.013 -0.904 83 3HG1 VAL 13 3HG1 VAL 13 9.508 1.563 -1.383 84 1HG2 VAL 13 1HG2 VAL 13 7.396 0.045 1.559 85 2HG2 VAL 13 2HG2 VAL 13 6.258 1.311 1.039 86 3HG2 VAL 13 3HG2 VAL 13 6.847 0.108 -0.133 87 HA PRO 14 HA PRO 14 10.926 5.711 1.713 88 1HB PRO 14 1HB PRO 14 12.983 5.706 -0.087 89 2HB PRO 14 2HB PRO 14 13.173 5.225 1.588 90 1HG PRO 14 1HG PRO 14 13.057 3.524 -0.828 91 2HG PRO 14 2HG PRO 14 13.660 3.124 0.768 92 1HD PRO 14 1HD PRO 14 11.148 2.329 -0.367 93 2HD PRO 14 2HD PRO 14 11.702 2.028 1.268 94 H ALA 15 H ALA 15 9.263 4.265 -0.665 95 HA ALA 15 HA ALA 15 7.814 5.252 -2.078 96 1HB ALA 15 1HB ALA 15 8.559 7.448 -0.670 97 2HB ALA 15 2HB ALA 15 9.242 7.862 -2.261 98 3HB ALA 15 3HB ALA 15 7.503 7.517 -2.101 99 H LYS 16 H LYS 16 11.253 5.080 -2.248 100 HA LYS 16 HA LYS 16 11.236 5.453 -5.142 101 1HB LYS 16 1HB LYS 16 13.683 5.420 -4.936 102 2HB LYS 16 2HB LYS 16 12.956 6.656 -3.930 103 1HG LYS 16 1HG LYS 16 14.666 5.512 -2.620 104 2HG LYS 16 2HG LYS 16 13.098 5.102 -1.953 105 1HD LYS 16 1HD LYS 16 13.182 2.895 -2.719 106 2HD LYS 16 2HD LYS 16 14.189 3.293 -4.097 107 1HE LYS 16 1HE LYS 16 16.173 3.492 -2.710 108 2HE LYS 16 2HE LYS 16 15.228 3.456 -1.235 109 1HZ LYS 16 1HZ LYS 16 14.530 1.183 -2.521 110 2HZ LYS 16 2HZ LYS 16 16.131 1.297 -2.822 111 3HZ LYS 16 3HZ LYS 16 15.589 1.292 -1.282 112 H ASP 17 H ASP 17 10.375 3.077 -3.061 113 HA ASP 17 HA ASP 17 11.445 1.055 -4.865 114 1HB ASP 17 1HB ASP 17 12.630 0.664 -2.834 115 2HB ASP 17 2HB ASP 17 11.243 1.060 -1.839 116 H ARG 18 H ARG 18 8.850 2.697 -4.629 117 HA ARG 18 HA ARG 18 6.914 0.927 -3.610 118 1HB ARG 18 1HB ARG 18 6.429 3.204 -5.584 119 2HB ARG 18 2HB ARG 18 5.296 2.556 -4.415 120 1HG ARG 18 1HG ARG 18 7.925 3.722 -3.456 121 2HG ARG 18 2HG ARG 18 6.609 4.798 -3.884 122 1HD ARG 18 1HD ARG 18 5.304 2.913 -2.306 123 2HD ARG 18 2HD ARG 18 6.879 2.989 -1.541 124 HE ARG 18 HE ARG 18 5.639 5.603 -2.154 125 1HH1 ARG 18 1HH1 ARG 18 6.209 3.094 0.247 126 2HH1 ARG 18 2HH1 ARG 18 5.878 4.130 1.595 127 1HH2 ARG 18 1HH2 ARG 18 5.203 6.970 -0.376 128 2HH2 ARG 18 2HH2 ARG 18 5.302 6.350 1.238 129 H VAL 19 H VAL 19 5.547 -0.534 -4.737 130 HA VAL 19 HA VAL 19 6.446 -1.152 -7.444 131 HB VAL 19 HB VAL 19 4.593 -2.789 -5.730 132 1HG1 VAL 19 1HG1 VAL 19 5.881 -3.094 -8.301 133 2HG1 VAL 19 2HG1 VAL 19 6.402 -4.384 -7.191 134 3HG1 VAL 19 3HG1 VAL 19 4.669 -4.132 -7.510 135 1HG2 VAL 19 1HG2 VAL 19 7.511 -2.316 -5.370 136 2HG2 VAL 19 2HG2 VAL 19 6.263 -2.762 -4.182 137 3HG2 VAL 19 3HG2 VAL 19 6.947 -4.001 -5.262 138 H ASP 20 H ASP 20 4.108 0.694 -5.858 139 HA ASP 20 HA ASP 20 2.190 1.547 -6.412 140 1HB ASP 20 1HB ASP 20 3.246 2.524 -8.313 141 2HB ASP 20 2HB ASP 20 3.389 0.985 -9.140 142 H CYS 21 H CYS 21 0.522 0.178 -5.672 143 HA CYS 21 HA CYS 21 0.057 -2.354 -6.831 144 1HB CYS 21 1HB CYS 21 -0.523 -1.267 -4.445 145 2HB CYS 21 2HB CYS 21 -2.070 -1.030 -5.232 146 H GLY 22 H GLY 22 -0.888 0.956 -7.513 147 1HA GLY 22 1HA GLY 22 -2.157 0.263 -9.942 148 2HA GLY 22 2HA GLY 22 -2.100 1.844 -9.188 149 H TYR 23 H TYR 23 -3.794 2.531 -7.757 150 HA TYR 23 HA TYR 23 -6.232 0.950 -8.092 151 1HB TYR 23 1HB TYR 23 -4.719 1.821 -5.610 152 2HB TYR 23 2HB TYR 23 -6.463 1.973 -5.535 153 HD1 TYR 23 HD1 TYR 23 -7.750 -0.244 -6.439 154 HD2 TYR 23 HD2 TYR 23 -3.800 -0.144 -4.798 155 HE1 TYR 23 HE1 TYR 23 -7.931 -2.707 -5.833 156 HE2 TYR 23 HE2 TYR 23 -3.995 -2.607 -4.197 157 HH TYR 23 HH TYR 23 -6.454 -4.575 -5.439 158 HA PRO 24 HA PRO 24 -7.884 4.877 -8.861 159 1HB PRO 24 1HB PRO 24 -10.555 4.362 -8.596 160 2HB PRO 24 2HB PRO 24 -9.644 3.980 -10.043 161 1HG PRO 24 1HG PRO 24 -10.624 2.155 -7.934 162 2HG PRO 24 2HG PRO 24 -10.101 1.771 -9.562 163 1HD PRO 24 1HD PRO 24 -8.615 1.367 -7.143 164 2HD PRO 24 2HD PRO 24 -8.050 1.091 -8.778 165 H HIS 25 H HIS 25 -10.009 3.584 -6.354 166 HA HIS 25 HA HIS 25 -9.705 6.127 -4.995 167 1HB HIS 25 1HB HIS 25 -11.636 5.505 -3.733 168 2HB HIS 25 2HB HIS 25 -11.956 5.181 -5.425 169 HD1 HIS 25 HD1 HIS 25 -13.660 3.735 -3.366 170 HD2 HIS 25 HD2 HIS 25 -10.063 2.172 -4.855 171 HE1 HIS 25 HE1 HIS 25 -13.776 1.210 -3.011 172 HE2 HIS 25 HE2 HIS 25 -11.562 0.300 -3.995 173 H VAL 26 H VAL 26 -7.523 5.911 -4.237 174 HA VAL 26 HA VAL 26 -7.069 3.699 -2.384 175 HB VAL 26 HB VAL 26 -4.717 4.479 -2.488 176 1HG1 VAL 26 1HG1 VAL 26 -6.020 3.870 -5.163 177 2HG1 VAL 26 2HG1 VAL 26 -4.289 3.694 -4.790 178 3HG1 VAL 26 3HG1 VAL 26 -5.488 2.681 -3.950 179 1HG2 VAL 26 1HG2 VAL 26 -5.659 6.869 -3.300 180 2HG2 VAL 26 2HG2 VAL 26 -4.004 6.307 -3.638 181 3HG2 VAL 26 3HG2 VAL 26 -5.266 6.156 -4.883 182 H THR 27 H THR 27 -6.962 3.990 -0.191 183 HA THR 27 HA THR 27 -6.636 6.683 0.848 184 HB THR 27 HB THR 27 -8.767 6.810 1.861 185 HG1 THR 27 HG1 THR 27 -9.925 4.802 2.274 186 1HG2 THR 27 1HG2 THR 27 -9.193 5.104 -0.647 187 2HG2 THR 27 2HG2 THR 27 -10.510 5.896 0.251 188 3HG2 THR 27 3HG2 THR 27 -9.262 6.880 -0.551 189 HA PRO 28 HA PRO 28 -4.745 4.625 4.107 190 1HB PRO 28 1HB PRO 28 -5.448 6.015 6.352 191 2HB PRO 28 2HB PRO 28 -4.231 6.573 5.222 192 1HG PRO 28 1HG PRO 28 -7.001 7.538 5.590 193 2HG PRO 28 2HG PRO 28 -5.658 8.333 4.792 194 1HD PRO 28 1HD PRO 28 -7.869 7.016 3.527 195 2HD PRO 28 2HD PRO 28 -6.468 7.709 2.733 196 H LYS 29 H LYS 29 -7.110 3.348 3.246 197 HA LYS 29 HA LYS 29 -7.376 1.513 5.313 198 1HB LYS 29 1HB LYS 29 -8.629 3.645 6.217 199 2HB LYS 29 2HB LYS 29 -9.910 3.116 5.146 200 1HG LYS 29 1HG LYS 29 -8.838 0.842 6.643 201 2HG LYS 29 2HG LYS 29 -9.321 2.119 7.742 202 1HD LYS 29 1HD LYS 29 -11.179 1.336 5.482 203 2HD LYS 29 2HD LYS 29 -11.097 0.323 6.909 204 1HE LYS 29 1HE LYS 29 -12.646 1.747 7.795 205 2HE LYS 29 2HE LYS 29 -11.300 2.839 8.052 206 1HZ LYS 29 1HZ LYS 29 -12.924 2.774 5.604 207 2HZ LYS 29 2HZ LYS 29 -13.128 3.840 6.824 208 3HZ LYS 29 3HZ LYS 29 -11.747 3.851 5.953 209 H GLU 30 H GLU 30 -8.901 3.198 2.527 210 HA GLU 30 HA GLU 30 -10.255 0.838 1.720 211 1HB GLU 30 1HB GLU 30 -11.187 3.052 1.213 212 2HB GLU 30 2HB GLU 30 -9.753 3.494 0.308 213 1HG GLU 30 1HG GLU 30 -10.433 2.359 -1.558 214 2HG GLU 30 2HG GLU 30 -10.935 0.956 -0.635 215 H CYS 31 H CYS 31 -7.173 2.487 0.972 216 HA CYS 31 HA CYS 31 -6.635 0.873 -1.305 217 1HB CYS 31 1HB CYS 31 -5.547 2.877 -1.447 218 2HB CYS 31 2HB CYS 31 -5.183 2.945 0.266 219 H ASN 32 H ASN 32 -6.176 0.721 2.212 220 HA ASN 32 HA ASN 32 -4.294 -1.431 1.970 221 1HB ASN 32 1HB ASN 32 -5.658 -0.498 4.534 222 2HB ASN 32 2HB ASN 32 -4.098 -1.280 4.376 223 2HD2 ASN 32 2HD2 ASN 32 -5.930 1.658 3.829 224 1HD2 ASN 32 1HD2 ASN 32 -4.599 2.761 3.729 225 H ASN 33 H ASN 33 -7.621 -1.047 1.675 226 HA ASN 33 HA ASN 33 -8.258 -3.487 3.098 227 1HB ASN 33 1HB ASN 33 -9.800 -1.609 3.472 228 2HB ASN 33 2HB ASN 33 -9.985 -1.351 1.748 229 2HD2 ASN 33 2HD2 ASN 33 -11.053 -2.929 0.470 230 1HD2 ASN 33 1HD2 ASN 33 -12.236 -3.995 1.150 231 H ARG 34 H ARG 34 -8.279 -1.895 -0.144 232 HA ARG 34 HA ARG 34 -9.587 -3.820 -1.554 233 1HB ARG 34 1HB ARG 34 -8.391 -1.441 -2.169 234 2HB ARG 34 2HB ARG 34 -7.208 -2.530 -2.866 235 1HG ARG 34 1HG ARG 34 -9.042 -1.820 -4.471 236 2HG ARG 34 2HG ARG 34 -8.858 -3.556 -4.313 237 1HD ARG 34 1HD ARG 34 -10.882 -3.817 -3.192 238 2HD ARG 34 2HD ARG 34 -10.781 -2.252 -2.411 239 HE ARG 34 HE ARG 34 -11.147 -2.147 -5.335 240 1HH1 ARG 34 1HH1 ARG 34 -12.712 -2.152 -2.183 241 2HH1 ARG 34 2HH1 ARG 34 -14.174 -1.428 -2.765 242 1HH2 ARG 34 1HH2 ARG 34 -13.076 -1.192 -6.103 243 2HH2 ARG 34 2HH2 ARG 34 -14.382 -0.878 -5.010 244 H GLY 35 H GLY 35 -6.322 -3.793 -0.197 245 1HA GLY 35 1HA GLY 35 -5.774 -6.384 -1.520 246 2HA GLY 35 2HA GLY 35 -5.407 -6.040 0.159 247 H CYS 36 H CYS 36 -3.903 -4.101 0.583 248 HA CYS 36 HA CYS 36 -1.500 -4.495 -0.602 249 1HB CYS 36 1HB CYS 36 -3.134 -3.154 -2.447 250 2HB CYS 36 2HB CYS 36 -2.082 -1.917 -1.789 251 H CYS 37 H CYS 37 -0.571 -1.687 -0.614 252 HA CYS 37 HA CYS 37 -1.214 -0.989 2.160 253 1HB CYS 37 1HB CYS 37 1.409 -1.204 0.751 254 2HB CYS 37 2HB CYS 37 1.216 0.066 1.943 255 H PHE 38 H PHE 38 -1.217 1.353 2.607 256 HA PHE 38 HA PHE 38 -1.574 2.922 0.150 257 1HB PHE 38 1HB PHE 38 -3.669 2.584 1.435 258 2HB PHE 38 2HB PHE 38 -2.861 2.972 2.940 259 HD1 PHE 38 HD1 PHE 38 -4.075 4.403 -0.242 260 HD2 PHE 38 HD2 PHE 38 -2.642 5.220 3.668 261 HE1 PHE 38 HE1 PHE 38 -4.761 6.804 -0.493 262 HE2 PHE 38 HE2 PHE 38 -3.328 7.622 3.417 263 HZ PHE 38 HZ PHE 38 -4.380 8.385 1.340 264 H ASP 39 H ASP 39 -1.379 5.422 0.727 265 HA ASP 39 HA ASP 39 0.226 6.177 2.838 266 1HB ASP 39 1HB ASP 39 2.045 4.946 1.787 267 2HB ASP 39 2HB ASP 39 1.678 5.627 0.215 268 H SER 40 H SER 40 0.424 8.519 2.812 269 HA SER 40 HA SER 40 -0.439 9.788 0.345 270 1HB SER 40 1HB SER 40 -1.928 11.302 1.601 271 2HB SER 40 2HB SER 40 -2.421 9.633 1.810 272 HG SER 40 HG SER 40 -1.875 9.675 3.914 273 H ARG 41 H ARG 41 2.133 9.331 2.062 274 HA ARG 41 HA ARG 41 2.805 11.736 3.230 275 1HB ARG 41 1HB ARG 41 3.977 9.277 3.071 276 2HB ARG 41 2HB ARG 41 4.968 10.122 1.899 277 1HG ARG 41 1HG ARG 41 4.512 11.658 4.401 278 2HG ARG 41 2HG ARG 41 5.369 10.150 4.648 279 1HD ARG 41 1HD ARG 41 6.762 11.006 2.500 280 2HD ARG 41 2HD ARG 41 6.206 12.572 3.057 281 HE ARG 41 HE ARG 41 7.593 12.386 4.946 282 1HH1 ARG 41 1HH1 ARG 41 7.350 9.263 3.343 283 2HH1 ARG 41 2HH1 ARG 41 8.598 8.533 4.296 284 1HH2 ARG 41 1HH2 ARG 41 9.240 11.423 6.204 285 2HH2 ARG 41 2HH2 ARG 41 9.681 9.770 5.934 286 H ILE 42 H ILE 42 3.391 10.420 -0.097 287 HA ILE 42 HA ILE 42 3.636 13.153 -1.049 288 HB ILE 42 HB ILE 42 5.632 11.929 -2.465 289 1HG1 ILE 42 1HG1 ILE 42 7.166 10.958 -0.775 290 2HG1 ILE 42 2HG1 ILE 42 5.884 11.022 0.418 291 1HG2 ILE 42 1HG2 ILE 42 5.358 14.013 -0.439 292 2HG2 ILE 42 2HG2 ILE 42 6.971 13.260 -0.442 293 3HG2 ILE 42 3HG2 ILE 42 6.323 13.981 -1.935 294 1HD1 ILE 42 1HD1 ILE 42 5.050 9.725 -2.110 295 2HD1 ILE 42 2HD1 ILE 42 6.376 8.883 -1.273 296 3HD1 ILE 42 3HD1 ILE 42 4.838 9.180 -0.429 297 HA PRO 43 HA PRO 43 1.166 11.275 -4.079 298 1HB PRO 43 1HB PRO 43 0.837 13.431 -5.726 299 2HB PRO 43 2HB PRO 43 -0.130 13.167 -4.288 300 1HG PRO 43 1HG PRO 43 2.076 15.089 -4.712 301 2HG PRO 43 2HG PRO 43 0.839 15.093 -3.469 302 1HD PRO 43 1HD PRO 43 3.579 14.300 -3.162 303 2HD PRO 43 2HD PRO 43 2.315 14.195 -1.952 304 H GLY 44 H GLY 44 4.037 13.047 -4.979 305 1HA GLY 44 1HA GLY 44 5.692 12.403 -6.387 306 2HA GLY 44 2HA GLY 44 4.398 12.439 -7.568 307 H VAL 45 H VAL 45 4.651 10.155 -4.793 308 HA VAL 45 HA VAL 45 5.367 8.031 -6.664 309 HB VAL 45 HB VAL 45 6.284 6.924 -4.903 310 1HG1 VAL 45 1HG1 VAL 45 7.074 9.455 -5.121 311 2HG1 VAL 45 2HG1 VAL 45 6.453 9.536 -3.454 312 3HG1 VAL 45 3HG1 VAL 45 7.733 8.372 -3.872 313 1HG2 VAL 45 1HG2 VAL 45 4.115 8.190 -3.247 314 2HG2 VAL 45 2HG2 VAL 45 4.522 6.470 -3.465 315 3HG2 VAL 45 3HG2 VAL 45 5.558 7.509 -2.457 316 HA PRO 46 HA PRO 46 1.477 6.158 -6.389 317 1HB PRO 46 1HB PRO 46 1.961 3.490 -6.054 318 2HB PRO 46 2HB PRO 46 2.118 4.306 -7.597 319 1HG PRO 46 1HG PRO 46 4.245 3.379 -5.765 320 2HG PRO 46 2HG PRO 46 4.364 3.798 -7.463 321 1HD PRO 46 1HD PRO 46 5.206 5.399 -5.237 322 2HD PRO 46 2HD PRO 46 5.218 5.864 -6.926 323 H TRP 47 H TRP 47 0.574 7.238 -4.624 324 HA TRP 47 HA TRP 47 0.951 6.906 -2.051 325 1HB TRP 47 1HB TRP 47 -1.540 7.193 -3.653 326 2HB TRP 47 2HB TRP 47 -1.717 6.824 -1.950 327 HD1 TRP 47 HD1 TRP 47 1.187 9.103 -3.022 328 HE1 TRP 47 HE1 TRP 47 0.839 11.574 -2.166 329 HE3 TRP 47 HE3 TRP 47 -3.569 8.415 -1.361 330 HZ2 TRP 47 HZ2 TRP 47 -1.338 12.934 -0.918 331 HZ3 TRP 47 HZ3 TRP 47 -4.735 10.366 -0.336 332 HH2 TRP 47 HH2 TRP 47 -3.696 12.566 -0.103 333 H CYS 48 H CYS 48 -1.042 4.609 -4.051 334 HA CYS 48 HA CYS 48 -0.940 2.714 -1.861 335 1HB CYS 48 1HB CYS 48 -3.017 3.303 -3.302 336 2HB CYS 48 2HB CYS 48 -2.295 2.251 -4.504 337 H PHE 49 H PHE 49 0.864 1.418 -1.771 338 HA PHE 49 HA PHE 49 1.860 0.377 -4.319 339 1HB PHE 49 1HB PHE 49 4.175 0.616 -3.132 340 2HB PHE 49 2HB PHE 49 3.438 2.110 -3.678 341 HD1 PHE 49 HD1 PHE 49 3.661 -0.062 -0.655 342 HD2 PHE 49 HD2 PHE 49 3.208 3.870 -2.186 343 HE1 PHE 49 HE1 PHE 49 3.811 0.863 1.674 344 HE2 PHE 49 HE2 PHE 49 3.358 4.794 0.142 345 HZ PHE 49 HZ PHE 49 3.657 3.279 2.045 346 H LYS 50 H LYS 50 3.250 -1.622 -4.000 347 HA LYS 50 HA LYS 50 1.871 -3.425 -2.329 348 1HB LYS 50 1HB LYS 50 4.411 -3.668 -3.962 349 2HB LYS 50 2HB LYS 50 3.687 -5.008 -3.097 350 1HG LYS 50 1HG LYS 50 1.487 -4.014 -4.438 351 2HG LYS 50 2HG LYS 50 2.764 -3.632 -5.576 352 1HD LYS 50 1HD LYS 50 3.343 -6.268 -4.711 353 2HD LYS 50 2HD LYS 50 1.602 -6.239 -4.905 354 1HE LYS 50 1HE LYS 50 2.655 -4.839 -7.160 355 2HE LYS 50 2HE LYS 50 3.671 -6.253 -6.961 356 1HZ LYS 50 1HZ LYS 50 0.755 -6.469 -6.875 357 2HZ LYS 50 2HZ LYS 50 1.567 -6.505 -8.292 358 3HZ LYS 50 3HZ LYS 50 1.850 -7.647 -7.158 359 HA PRO 51 HA PRO 51 4.208 -3.270 1.295 360 1HB PRO 51 1HB PRO 51 4.285 -5.867 2.144 361 2HB PRO 51 2HB PRO 51 2.885 -4.833 2.348 362 1HG PRO 51 1HG PRO 51 3.296 -7.036 0.421 363 2HG PRO 51 2HG PRO 51 1.795 -6.287 0.928 364 1HD PRO 51 1HD PRO 51 3.179 -5.854 -1.547 365 2HD PRO 51 2HD PRO 51 1.742 -5.021 -0.990 366 H LEU 52 H LEU 52 6.251 -2.647 1.533 367 HA LEU 52 HA LEU 52 8.281 -3.211 -0.030 368 1HB LEU 52 1HB LEU 52 8.470 -1.698 1.805 369 2HB LEU 52 2HB LEU 52 8.306 -2.991 2.977 370 HG LEU 52 HG LEU 52 10.634 -2.733 1.054 371 1HD1 LEU 52 1HD1 LEU 52 10.167 -0.945 3.006 372 2HD1 LEU 52 2HD1 LEU 52 11.014 -2.196 3.948 373 3HD1 LEU 52 3HD1 LEU 52 11.798 -1.469 2.525 374 1HD2 LEU 52 1HD2 LEU 52 9.779 -4.797 2.926 375 2HD2 LEU 52 2HD2 LEU 52 11.018 -4.844 1.649 376 3HD2 LEU 52 3HD2 LEU 52 11.426 -4.212 3.262 377 H GLN 53 H GLN 53 9.844 -4.802 -0.430 378 HA GLN 53 HA GLN 53 8.954 -7.417 0.004 379 1HB GLN 53 1HB GLN 53 11.251 -6.078 -1.334 380 2HB GLN 53 2HB GLN 53 11.575 -7.712 -0.791 381 1HG GLN 53 1HG GLN 53 10.549 -8.415 -2.695 382 2HG GLN 53 2HG GLN 53 9.038 -7.953 -1.937 383 2HE2 GLN 53 2HE2 GLN 53 8.852 -5.370 -1.940 384 1HE2 GLN 53 1HE2 GLN 53 8.974 -4.655 -3.513 385 H GLU 54 H GLU 54 8.756 -7.148 2.458 386 HA GLU 54 HA GLU 54 10.701 -6.720 4.195 387 1HB GLU 54 1HB GLU 54 9.537 -8.203 5.749 388 2HB GLU 54 2HB GLU 54 8.358 -7.366 4.758 389 1HG GLU 54 1HG GLU 54 9.385 -10.194 4.222 390 2HG GLU 54 2HG GLU 54 7.863 -9.818 5.005 391 H ALA 55 H ALA 55 12.653 -7.596 4.821 392 HA ALA 55 HA ALA 55 13.216 -10.366 4.333 393 1HB ALA 55 1HB ALA 55 15.230 -9.851 2.917 394 2HB ALA 55 2HB ALA 55 13.680 -9.517 2.108 395 3HB ALA 55 3HB ALA 55 14.644 -8.177 2.773 396 H GLU 56 H GLU 56 13.300 -10.168 6.695 397 HA GLU 56 HA GLU 56 14.365 -10.006 8.579 398 1HB GLU 56 1HB GLU 56 16.326 -10.733 6.811 399 2HB GLU 56 2HB GLU 56 17.023 -9.255 7.443 400 1HG GLU 56 1HG GLU 56 17.683 -10.399 9.285 401 2HG GLU 56 2HG GLU 56 15.998 -10.613 9.718 402 H CYS 57 H CYS 57 15.436 -8.447 10.140 403 HA CYS 57 HA CYS 57 15.128 -5.713 9.128 404 1HB CYS 57 1HB CYS 57 14.504 -5.087 11.441 405 2HB CYS 57 2HB CYS 57 13.353 -6.140 10.643 406 H THR 58 H THR 58 17.376 -5.522 8.555 407 HA THR 58 HA THR 58 19.141 -5.361 10.892 408 HB THR 58 HB THR 58 19.588 -7.536 9.806 409 HG1 THR 58 HG1 THR 58 21.429 -6.257 10.492 410 1HG2 THR 58 1HG2 THR 58 18.724 -6.725 7.472 411 2HG2 THR 58 2HG2 THR 58 20.331 -5.983 7.289 412 3HG2 THR 58 3HG2 THR 58 20.182 -7.745 7.490 413 H PHE 59 H PHE 59 18.682 -4.587 7.387 414 HA PHE 59 HA PHE 59 20.590 -2.580 7.299 415 1HB PHE 59 1HB PHE 59 19.646 -3.397 5.243 416 2HB PHE 59 2HB PHE 59 18.008 -3.322 5.863 417 HD1 PHE 59 HD1 PHE 59 20.843 -1.073 4.955 418 HD2 PHE 59 HD2 PHE 59 16.636 -1.581 5.196 419 HE1 PHE 59 HE1 PHE 59 20.510 1.136 3.809 420 HE2 PHE 59 HE2 PHE 59 16.304 0.627 4.050 421 HZ PHE 59 HZ PHE 59 18.245 1.959 3.370 No H/Q in entry = 421 Start of MODEL 24 1 H GLU 1 H GLU 1 5.393 -15.463 17.258 2 HA GLU 1 HA GLU 1 4.571 -13.148 18.706 3 1HB GLU 1 1HB GLU 1 6.089 -15.374 20.019 4 2HB GLU 1 2HB GLU 1 6.639 -13.746 20.359 5 1HG GLU 1 1HG GLU 1 4.564 -13.104 21.329 6 2HG GLU 1 2HG GLU 1 3.684 -14.402 20.547 7 H GLU 2 H GLU 2 5.340 -12.842 16.261 8 HA GLU 2 HA GLU 2 8.114 -12.020 16.485 9 1HB GLU 2 1HB GLU 2 6.948 -13.921 14.481 10 2HB GLU 2 2HB GLU 2 8.084 -12.737 13.865 11 1HG GLU 2 1HG GLU 2 9.032 -13.946 16.378 12 2HG GLU 2 2HG GLU 2 8.726 -15.161 15.153 13 H TYR 3 H TYR 3 5.218 -12.007 14.276 14 HA TYR 3 HA TYR 3 5.096 -9.152 14.395 15 1HB TYR 3 1HB TYR 3 5.849 -8.750 12.151 16 2HB TYR 3 2HB TYR 3 6.965 -9.994 12.678 17 HD1 TYR 3 HD1 TYR 3 6.498 -12.415 12.021 18 HD2 TYR 3 HD2 TYR 3 4.405 -9.103 10.302 19 HE1 TYR 3 HE1 TYR 3 5.786 -13.872 10.063 20 HE2 TYR 3 HE2 TYR 3 3.700 -10.572 8.349 21 HH TYR 3 HH TYR 3 3.614 -12.606 7.570 22 H VAL 4 H VAL 4 3.178 -8.306 13.283 23 HA VAL 4 HA VAL 4 1.440 -9.892 11.816 24 HB VAL 4 HB VAL 4 1.152 -11.275 13.727 25 1HG1 VAL 4 1HG1 VAL 4 2.016 -9.482 15.345 26 2HG1 VAL 4 2HG1 VAL 4 0.335 -8.901 15.412 27 3HG1 VAL 4 3HG1 VAL 4 0.725 -10.557 15.933 28 1HG2 VAL 4 1HG2 VAL 4 -1.163 -9.341 13.399 29 2HG2 VAL 4 2HG2 VAL 4 -0.897 -10.875 12.536 30 3HG2 VAL 4 3HG2 VAL 4 -1.268 -10.886 14.277 31 H GLY 5 H GLY 5 1.738 -7.743 10.798 32 1HA GLY 5 1HA GLY 5 -0.366 -6.121 10.788 33 2HA GLY 5 2HA GLY 5 1.262 -5.535 10.510 34 H LEU 6 H LEU 6 2.469 -4.529 12.252 35 HA LEU 6 HA LEU 6 0.752 -3.782 14.517 36 1HB LEU 6 1HB LEU 6 2.896 -3.472 15.761 37 2HB LEU 6 2HB LEU 6 2.459 -5.127 15.385 38 HG LEU 6 HG LEU 6 4.228 -3.841 13.397 39 1HD1 LEU 6 1HD1 LEU 6 4.849 -3.596 16.201 40 2HD1 LEU 6 2HD1 LEU 6 6.025 -4.664 15.398 41 3HD1 LEU 6 3HD1 LEU 6 5.752 -3.017 14.780 42 1HD2 LEU 6 1HD2 LEU 6 3.735 -6.504 14.583 43 2HD2 LEU 6 2HD2 LEU 6 4.136 -6.037 12.913 44 3HD2 LEU 6 3HD2 LEU 6 5.423 -6.157 14.137 45 H SER 7 H SER 7 3.223 -2.759 12.111 46 HA SER 7 HA SER 7 2.211 -0.060 12.502 47 1HB SER 7 1HB SER 7 4.421 0.890 12.388 48 2HB SER 7 2HB SER 7 4.473 -0.373 13.602 49 HG SER 7 HG SER 7 5.215 -1.790 11.689 50 H ALA 8 H ALA 8 4.249 0.880 10.438 51 HA ALA 8 HA ALA 8 2.797 -0.141 8.113 52 1HB ALA 8 1HB ALA 8 4.529 2.340 8.461 53 2HB ALA 8 2HB ALA 8 3.549 1.928 7.033 54 3HB ALA 8 3HB ALA 8 2.753 2.300 8.580 55 H ASN 9 H ASN 9 4.931 -1.671 9.521 56 HA ASN 9 HA ASN 9 7.383 -1.444 8.446 57 1HB ASN 9 1HB ASN 9 5.894 -3.434 9.853 58 2HB ASN 9 2HB ASN 9 6.564 -4.262 8.462 59 2HD2 ASN 9 2HD2 ASN 9 7.363 -4.971 10.932 60 1HD2 ASN 9 1HD2 ASN 9 8.999 -4.495 11.242 61 H GLN 10 H GLN 10 4.569 -3.378 7.167 62 HA GLN 10 HA GLN 10 5.896 -4.188 4.856 63 1HB GLN 10 1HB GLN 10 3.540 -4.734 4.056 64 2HB GLN 10 2HB GLN 10 3.993 -5.449 5.591 65 1HG GLN 10 1HG GLN 10 2.918 -2.925 6.285 66 2HG GLN 10 2HG GLN 10 1.872 -3.505 5.004 67 2HE2 GLN 10 2HE2 GLN 10 3.071 -4.009 8.218 68 1HE2 GLN 10 1HE2 GLN 10 1.962 -5.242 8.719 69 H CYS 11 H CYS 11 4.180 -1.234 5.763 70 HA CYS 11 HA CYS 11 4.406 -0.330 2.985 71 1HB CYS 11 1HB CYS 11 2.714 1.172 4.908 72 2HB CYS 11 2HB CYS 11 2.514 0.916 3.186 73 H ALA 12 H ALA 12 6.745 -0.411 4.485 74 HA ALA 12 HA ALA 12 7.063 2.382 5.351 75 1HB ALA 12 1HB ALA 12 9.160 1.125 6.502 76 2HB ALA 12 2HB ALA 12 7.572 1.276 7.293 77 3HB ALA 12 3HB ALA 12 8.007 -0.230 6.450 78 H VAL 13 H VAL 13 7.120 2.129 2.685 79 HA VAL 13 HA VAL 13 9.870 1.554 1.909 80 HB VAL 13 HB VAL 13 7.924 2.474 -0.101 81 1HG1 VAL 13 1HG1 VAL 13 10.189 0.615 0.161 82 2HG1 VAL 13 2HG1 VAL 13 8.861 -0.005 -0.848 83 3HG1 VAL 13 3HG1 VAL 13 9.627 1.552 -1.244 84 1HG2 VAL 13 1HG2 VAL 13 7.343 0.141 1.693 85 2HG2 VAL 13 2HG2 VAL 13 6.231 1.318 0.955 86 3HG2 VAL 13 3HG2 VAL 13 6.944 0.023 -0.037 87 HA PRO 14 HA PRO 14 10.873 5.755 1.767 88 1HB PRO 14 1HB PRO 14 12.963 5.743 0.007 89 2HB PRO 14 2HB PRO 14 13.127 5.289 1.692 90 1HG PRO 14 1HG PRO 14 13.071 3.552 -0.700 91 2HG PRO 14 2HG PRO 14 13.648 3.181 0.913 92 1HD PRO 14 1HD PRO 14 11.166 2.345 -0.257 93 2HD PRO 14 2HD PRO 14 11.691 2.073 1.393 94 H ALA 15 H ALA 15 9.241 4.272 -0.595 95 HA ALA 15 HA ALA 15 7.802 5.247 -2.032 96 1HB ALA 15 1HB ALA 15 9.290 7.819 -2.294 97 2HB ALA 15 2HB ALA 15 7.542 7.518 -2.139 98 3HB ALA 15 3HB ALA 15 8.584 7.473 -0.697 99 H LYS 16 H LYS 16 11.286 5.190 -2.201 100 HA LYS 16 HA LYS 16 11.258 5.395 -5.101 101 1HB LYS 16 1HB LYS 16 13.705 5.348 -4.889 102 2HB LYS 16 2HB LYS 16 12.985 6.623 -3.927 103 1HG LYS 16 1HG LYS 16 14.697 5.491 -2.591 104 2HG LYS 16 2HG LYS 16 13.124 5.161 -1.894 105 1HD LYS 16 1HD LYS 16 13.117 2.921 -2.598 106 2HD LYS 16 2HD LYS 16 14.183 3.229 -3.955 107 1HE LYS 16 1HE LYS 16 15.817 3.902 -1.816 108 2HE LYS 16 2HE LYS 16 14.858 2.609 -1.124 109 1HZ LYS 16 1HZ LYS 16 15.450 1.589 -3.488 110 2HZ LYS 16 2HZ LYS 16 16.783 2.500 -3.247 111 3HZ LYS 16 3HZ LYS 16 16.367 1.358 -2.157 112 H ASP 17 H ASP 17 10.331 3.097 -2.986 113 HA ASP 17 HA ASP 17 11.441 1.007 -4.685 114 1HB ASP 17 1HB ASP 17 11.694 1.341 -1.826 115 2HB ASP 17 2HB ASP 17 10.675 -0.057 -2.110 116 H ARG 18 H ARG 18 8.852 2.707 -4.560 117 HA ARG 18 HA ARG 18 6.862 0.953 -3.611 118 1HB ARG 18 1HB ARG 18 6.458 3.241 -5.591 119 2HB ARG 18 2HB ARG 18 5.292 2.608 -4.445 120 1HG ARG 18 1HG ARG 18 7.917 3.765 -3.453 121 2HG ARG 18 2HG ARG 18 6.594 4.834 -3.876 122 1HD ARG 18 1HD ARG 18 5.311 2.911 -2.314 123 2HD ARG 18 2HD ARG 18 6.879 3.024 -1.540 124 HE ARG 18 HE ARG 18 5.564 5.603 -2.160 125 1HH1 ARG 18 1HH1 ARG 18 6.241 3.125 0.246 126 2HH1 ARG 18 2HH1 ARG 18 5.892 4.157 1.593 127 1HH2 ARG 18 1HH2 ARG 18 5.103 6.964 -0.383 128 2HH2 ARG 18 2HH2 ARG 18 5.240 6.356 1.233 129 H VAL 19 H VAL 19 5.535 -0.498 -4.789 130 HA VAL 19 HA VAL 19 6.500 -1.078 -7.485 131 HB VAL 19 HB VAL 19 4.606 -2.799 -5.929 132 1HG1 VAL 19 1HG1 VAL 19 6.159 -3.006 -8.339 133 2HG1 VAL 19 2HG1 VAL 19 6.701 -4.248 -7.184 134 3HG1 VAL 19 3HG1 VAL 19 4.987 -4.158 -7.655 135 1HG2 VAL 19 1HG2 VAL 19 6.354 -2.190 -4.311 136 2HG2 VAL 19 2HG2 VAL 19 6.483 -3.899 -4.795 137 3HG2 VAL 19 3HG2 VAL 19 7.608 -2.695 -5.469 138 H ASP 20 H ASP 20 4.212 0.837 -6.020 139 HA ASP 20 HA ASP 20 2.267 1.644 -6.565 140 1HB ASP 20 1HB ASP 20 3.344 2.615 -8.456 141 2HB ASP 20 2HB ASP 20 3.505 1.073 -9.273 142 H CYS 21 H CYS 21 0.664 0.198 -5.782 143 HA CYS 21 HA CYS 21 0.189 -2.299 -7.006 144 1HB CYS 21 1HB CYS 21 -0.377 -1.222 -4.581 145 2HB CYS 21 2HB CYS 21 -1.947 -1.095 -5.349 146 H GLY 22 H GLY 22 -0.860 1.027 -7.515 147 1HA GLY 22 1HA GLY 22 -2.157 0.394 -9.955 148 2HA GLY 22 2HA GLY 22 -2.106 1.949 -9.150 149 H TYR 23 H TYR 23 -3.793 2.586 -7.709 150 HA TYR 23 HA TYR 23 -6.193 0.932 -7.984 151 1HB TYR 23 1HB TYR 23 -4.663 1.904 -5.548 152 2HB TYR 23 2HB TYR 23 -6.410 1.983 -5.442 153 HD1 TYR 23 HD1 TYR 23 -7.691 -0.245 -6.075 154 HD2 TYR 23 HD2 TYR 23 -3.573 -0.063 -4.928 155 HE1 TYR 23 HE1 TYR 23 -7.756 -2.702 -5.425 156 HE2 TYR 23 HE2 TYR 23 -3.652 -2.520 -4.282 157 HH TYR 23 HH TYR 23 -5.818 -4.104 -3.490 158 HA PRO 24 HA PRO 24 -7.987 4.789 -8.783 159 1HB PRO 24 1HB PRO 24 -10.633 4.198 -8.444 160 2HB PRO 24 2HB PRO 24 -9.746 3.815 -9.906 161 1HG PRO 24 1HG PRO 24 -10.618 2.003 -7.739 162 2HG PRO 24 2HG PRO 24 -10.122 1.603 -9.372 163 1HD PRO 24 1HD PRO 24 -8.567 1.292 -6.982 164 2HD PRO 24 2HD PRO 24 -8.032 1.003 -8.625 165 H HIS 25 H HIS 25 -10.156 3.580 -6.289 166 HA HIS 25 HA HIS 25 -9.823 6.119 -4.953 167 1HB HIS 25 1HB HIS 25 -11.772 5.585 -3.751 168 2HB HIS 25 2HB HIS 25 -12.060 5.034 -5.390 169 HD1 HIS 25 HD1 HIS 25 -13.553 3.890 -2.842 170 HD2 HIS 25 HD2 HIS 25 -10.268 2.110 -4.749 171 HE1 HIS 25 HE1 HIS 25 -13.642 1.410 -2.252 172 HE2 HIS 25 HE2 HIS 25 -11.631 0.359 -3.497 173 H VAL 26 H VAL 26 -7.613 5.902 -4.237 174 HA VAL 26 HA VAL 26 -7.111 3.726 -2.367 175 HB VAL 26 HB VAL 26 -4.789 4.620 -2.442 176 1HG1 VAL 26 1HG1 VAL 26 -6.063 3.914 -5.107 177 2HG1 VAL 26 2HG1 VAL 26 -4.319 3.857 -4.755 178 3HG1 VAL 26 3HG1 VAL 26 -5.438 2.776 -3.890 179 1HG2 VAL 26 1HG2 VAL 26 -5.859 6.952 -3.300 180 2HG2 VAL 26 2HG2 VAL 26 -4.164 6.483 -3.575 181 3HG2 VAL 26 3HG2 VAL 26 -5.373 6.243 -4.859 182 H THR 27 H THR 27 -6.797 4.022 -0.161 183 HA THR 27 HA THR 27 -6.694 6.715 0.892 184 HB THR 27 HB THR 27 -8.799 6.677 1.974 185 HG1 THR 27 HG1 THR 27 -8.404 3.824 1.507 186 1HG2 THR 27 1HG2 THR 27 -9.247 4.947 -0.516 187 2HG2 THR 27 2HG2 THR 27 -10.524 5.798 0.387 188 3HG2 THR 27 3HG2 THR 27 -9.277 6.727 -0.479 189 HA PRO 28 HA PRO 28 -4.598 4.771 4.098 190 1HB PRO 28 1HB PRO 28 -5.379 6.055 6.380 191 2HB PRO 28 2HB PRO 28 -4.232 6.735 5.243 192 1HG PRO 28 1HG PRO 28 -7.067 7.456 5.671 193 2HG PRO 28 2HG PRO 28 -5.809 8.376 4.870 194 1HD PRO 28 1HD PRO 28 -7.921 6.900 3.611 195 2HD PRO 28 2HD PRO 28 -6.597 7.723 2.811 196 H LYS 29 H LYS 29 -6.852 3.309 3.246 197 HA LYS 29 HA LYS 29 -6.931 1.422 5.277 198 1HB LYS 29 1HB LYS 29 -8.336 3.411 6.259 199 2HB LYS 29 2HB LYS 29 -9.588 2.824 5.183 200 1HG LYS 29 1HG LYS 29 -8.189 0.726 6.796 201 2HG LYS 29 2HG LYS 29 -9.171 1.851 7.714 202 1HD LYS 29 1HD LYS 29 -10.264 0.486 5.224 203 2HD LYS 29 2HD LYS 29 -10.313 -0.309 6.785 204 1HE LYS 29 1HE LYS 29 -11.295 2.507 6.804 205 2HE LYS 29 2HE LYS 29 -12.261 1.409 5.839 206 1HZ LYS 29 1HZ LYS 29 -11.792 0.004 8.078 207 2HZ LYS 29 2HZ LYS 29 -11.957 1.520 8.662 208 3HZ LYS 29 3HZ LYS 29 -13.153 0.854 7.772 209 H GLU 30 H GLU 30 -9.075 2.976 2.790 210 HA GLU 30 HA GLU 30 -10.139 0.591 1.898 211 1HB GLU 30 1HB GLU 30 -10.969 2.954 1.432 212 2HB GLU 30 2HB GLU 30 -9.694 3.111 0.241 213 1HG GLU 30 1HG GLU 30 -10.917 1.982 -1.299 214 2HG GLU 30 2HG GLU 30 -11.082 0.608 -0.223 215 H CYS 31 H CYS 31 -7.256 2.477 0.801 216 HA CYS 31 HA CYS 31 -6.669 0.835 -1.376 217 1HB CYS 31 1HB CYS 31 -5.586 2.830 -1.521 218 2HB CYS 31 2HB CYS 31 -5.244 2.913 0.196 219 H ASN 32 H ASN 32 -5.931 0.723 2.130 220 HA ASN 32 HA ASN 32 -4.169 -1.508 1.744 221 1HB ASN 32 1HB ASN 32 -3.373 -0.913 3.811 222 2HB ASN 32 2HB ASN 32 -4.393 0.506 3.682 223 2HD2 ASN 32 2HD2 ASN 32 -3.651 -2.174 5.482 224 1HD2 ASN 32 1HD2 ASN 32 -5.060 -2.297 6.482 225 H ASN 33 H ASN 33 -7.438 -1.119 1.589 226 HA ASN 33 HA ASN 33 -8.048 -3.432 3.233 227 1HB ASN 33 1HB ASN 33 -9.481 -1.422 3.562 228 2HB ASN 33 2HB ASN 33 -9.864 -1.387 1.852 229 2HD2 ASN 33 2HD2 ASN 33 -11.407 -2.670 1.025 230 1HD2 ASN 33 1HD2 ASN 33 -12.390 -3.768 1.934 231 H ARG 34 H ARG 34 -8.095 -2.047 -0.081 232 HA ARG 34 HA ARG 34 -9.584 -4.046 -1.276 233 1HB ARG 34 1HB ARG 34 -8.556 -1.670 -2.112 234 2HB ARG 34 2HB ARG 34 -7.361 -2.732 -2.830 235 1HG ARG 34 1HG ARG 34 -10.376 -3.039 -3.219 236 2HG ARG 34 2HG ARG 34 -9.320 -2.216 -4.349 237 1HD ARG 34 1HD ARG 34 -7.933 -4.505 -4.236 238 2HD ARG 34 2HD ARG 34 -9.462 -5.165 -3.690 239 HE ARG 34 HE ARG 34 -8.822 -4.335 -6.386 240 1HH1 ARG 34 1HH1 ARG 34 -11.475 -4.476 -4.079 241 2HH1 ARG 34 2HH1 ARG 34 -12.702 -4.538 -5.299 242 1HH2 ARG 34 1HH2 ARG 34 -10.441 -4.416 -7.997 243 2HH2 ARG 34 2HH2 ARG 34 -12.110 -4.503 -7.543 244 H GLY 35 H GLY 35 -6.224 -3.873 -0.200 245 1HA GLY 35 1HA GLY 35 -5.670 -6.461 -1.526 246 2HA GLY 35 2HA GLY 35 -5.275 -6.139 0.151 247 H CYS 36 H CYS 36 -3.829 -4.143 0.569 248 HA CYS 36 HA CYS 36 -1.434 -4.456 -0.659 249 1HB CYS 36 1HB CYS 36 -3.142 -3.146 -2.462 250 2HB CYS 36 2HB CYS 36 -2.108 -1.888 -1.813 251 H CYS 37 H CYS 37 -0.597 -1.617 -0.665 252 HA CYS 37 HA CYS 37 -1.245 -0.934 2.110 253 1HB CYS 37 1HB CYS 37 1.399 -1.138 0.736 254 2HB CYS 37 2HB CYS 37 1.183 0.115 1.942 255 H PHE 38 H PHE 38 -1.250 1.410 2.549 256 HA PHE 38 HA PHE 38 -1.578 2.968 0.081 257 1HB PHE 38 1HB PHE 38 -3.685 2.642 1.349 258 2HB PHE 38 2HB PHE 38 -2.888 3.037 2.859 259 HD1 PHE 38 HD1 PHE 38 -4.198 4.422 -0.285 260 HD2 PHE 38 HD2 PHE 38 -2.545 5.318 3.519 261 HE1 PHE 38 HE1 PHE 38 -4.877 6.823 -0.555 262 HE2 PHE 38 HE2 PHE 38 -3.224 7.719 3.249 263 HZ PHE 38 HZ PHE 38 -4.382 8.443 1.215 264 H ASP 39 H ASP 39 -1.392 5.474 0.660 265 HA ASP 39 HA ASP 39 0.203 6.231 2.776 266 1HB ASP 39 1HB ASP 39 2.030 5.001 1.741 267 2HB ASP 39 2HB ASP 39 1.668 5.671 0.163 268 H SER 40 H SER 40 0.428 8.576 2.738 269 HA SER 40 HA SER 40 -0.447 9.837 0.270 270 1HB SER 40 1HB SER 40 -1.934 11.348 1.504 271 2HB SER 40 2HB SER 40 -2.406 9.684 1.791 272 HG SER 40 HG SER 40 -0.694 11.197 3.573 273 H ARG 41 H ARG 41 2.114 9.371 2.054 274 HA ARG 41 HA ARG 41 2.826 11.763 3.182 275 1HB ARG 41 1HB ARG 41 3.987 9.315 3.013 276 2HB ARG 41 2HB ARG 41 4.943 10.127 1.789 277 1HG ARG 41 1HG ARG 41 5.244 12.018 3.596 278 2HG ARG 41 2HG ARG 41 4.700 10.806 4.739 279 1HD ARG 41 1HD ARG 41 6.915 10.220 4.837 280 2HD ARG 41 2HD ARG 41 6.580 9.352 3.352 281 HE ARG 41 HE ARG 41 7.222 12.142 2.833 282 1HH1 ARG 41 1HH1 ARG 41 8.643 8.997 3.522 283 2HH1 ARG 41 2HH1 ARG 41 10.156 9.374 2.768 284 1HH2 ARG 41 1HH2 ARG 41 9.218 12.639 1.838 285 2HH2 ARG 41 2HH2 ARG 41 10.485 11.459 1.804 286 H ILE 42 H ILE 42 3.403 10.471 -0.161 287 HA ILE 42 HA ILE 42 3.611 13.215 -1.095 288 HB ILE 42 HB ILE 42 5.605 12.026 -2.536 289 1HG1 ILE 42 1HG1 ILE 42 7.158 11.037 -0.875 290 2HG1 ILE 42 2HG1 ILE 42 5.887 11.079 0.331 291 1HG2 ILE 42 1HG2 ILE 42 5.325 14.085 -0.494 292 2HG2 ILE 42 2HG2 ILE 42 6.939 13.334 -0.485 293 3HG2 ILE 42 3HG2 ILE 42 6.306 14.065 -1.979 294 1HD1 ILE 42 1HD1 ILE 42 5.033 9.813 -2.206 295 2HD1 ILE 42 2HD1 ILE 42 6.373 8.966 -1.397 296 3HD1 ILE 42 3HD1 ILE 42 4.843 9.242 -0.531 297 HA PRO 43 HA PRO 43 1.154 11.370 -4.149 298 1HB PRO 43 1HB PRO 43 0.902 13.505 -5.835 299 2HB PRO 43 2HB PRO 43 -0.086 13.293 -4.403 300 1HG PRO 43 1HG PRO 43 2.177 15.146 -4.836 301 2HG PRO 43 2HG PRO 43 0.929 15.205 -3.607 302 1HD PRO 43 1HD PRO 43 3.642 14.341 -3.258 303 2HD PRO 43 2HD PRO 43 2.363 14.292 -2.060 304 H GLY 44 H GLY 44 4.056 13.082 -5.085 305 1HA GLY 44 1HA GLY 44 5.716 12.354 -6.453 306 2HA GLY 44 2HA GLY 44 4.433 12.410 -7.646 307 H VAL 45 H VAL 45 4.855 10.172 -4.824 308 HA VAL 45 HA VAL 45 5.441 8.003 -6.664 309 HB VAL 45 HB VAL 45 6.325 6.908 -4.879 310 1HG1 VAL 45 1HG1 VAL 45 7.079 9.494 -5.096 311 2HG1 VAL 45 2HG1 VAL 45 6.562 9.471 -3.393 312 3HG1 VAL 45 3HG1 VAL 45 7.821 8.346 -3.956 313 1HG2 VAL 45 1HG2 VAL 45 4.196 8.263 -3.228 314 2HG2 VAL 45 2HG2 VAL 45 4.496 6.527 -3.477 315 3HG2 VAL 45 3HG2 VAL 45 5.596 7.482 -2.455 316 HA PRO 46 HA PRO 46 1.516 6.205 -6.407 317 1HB PRO 46 1HB PRO 46 1.956 3.530 -6.064 318 2HB PRO 46 2HB PRO 46 2.133 4.340 -7.608 319 1HG PRO 46 1HG PRO 46 4.237 3.384 -5.765 320 2HG PRO 46 2HG PRO 46 4.370 3.797 -7.463 321 1HD PRO 46 1HD PRO 46 5.228 5.389 -5.237 322 2HD PRO 46 2HD PRO 46 5.254 5.850 -6.928 323 H TRP 47 H TRP 47 0.553 7.257 -4.680 324 HA TRP 47 HA TRP 47 0.929 6.953 -2.092 325 1HB TRP 47 1HB TRP 47 -1.544 7.242 -3.719 326 2HB TRP 47 2HB TRP 47 -1.743 6.873 -2.017 327 HD1 TRP 47 HD1 TRP 47 1.174 9.149 -3.070 328 HE1 TRP 47 HE1 TRP 47 0.824 11.620 -2.213 329 HE3 TRP 47 HE3 TRP 47 -3.590 8.463 -1.431 330 HZ2 TRP 47 HZ2 TRP 47 -1.358 12.980 -0.974 331 HZ3 TRP 47 HZ3 TRP 47 -4.759 10.414 -0.410 332 HH2 TRP 47 HH2 TRP 47 -3.720 12.613 -0.169 333 H CYS 48 H CYS 48 -1.037 4.644 -4.104 334 HA CYS 48 HA CYS 48 -0.952 2.761 -1.900 335 1HB CYS 48 1HB CYS 48 -3.035 3.343 -3.318 336 2HB CYS 48 2HB CYS 48 -2.318 2.316 -4.544 337 H PHE 49 H PHE 49 0.892 1.517 -1.807 338 HA PHE 49 HA PHE 49 1.882 0.466 -4.359 339 1HB PHE 49 1HB PHE 49 4.181 0.662 -3.123 340 2HB PHE 49 2HB PHE 49 3.471 2.166 -3.677 341 HD1 PHE 49 HD1 PHE 49 3.594 -0.021 -0.658 342 HD2 PHE 49 HD2 PHE 49 3.243 3.923 -2.184 343 HE1 PHE 49 HE1 PHE 49 3.705 0.892 1.677 344 HE2 PHE 49 HE2 PHE 49 3.354 4.837 0.151 345 HZ PHE 49 HZ PHE 49 3.584 3.310 2.054 346 H LYS 50 H LYS 50 3.273 -1.541 -4.039 347 HA LYS 50 HA LYS 50 1.848 -3.371 -2.439 348 1HB LYS 50 1HB LYS 50 4.377 -3.535 -4.084 349 2HB LYS 50 2HB LYS 50 3.792 -4.900 -3.154 350 1HG LYS 50 1HG LYS 50 1.495 -3.951 -4.495 351 2HG LYS 50 2HG LYS 50 2.774 -3.801 -5.684 352 1HD LYS 50 1HD LYS 50 3.178 -6.327 -4.409 353 2HD LYS 50 2HD LYS 50 1.456 -6.210 -4.714 354 1HE LYS 50 1HE LYS 50 2.511 -5.246 -7.098 355 2HE LYS 50 2HE LYS 50 3.704 -6.448 -6.645 356 1HZ LYS 50 1HZ LYS 50 0.947 -7.236 -6.364 357 2HZ LYS 50 2HZ LYS 50 1.482 -7.044 -7.895 358 3HZ LYS 50 3HZ LYS 50 2.229 -8.097 -6.896 359 HA PRO 51 HA PRO 51 4.079 -3.289 1.254 360 1HB PRO 51 1HB PRO 51 4.157 -5.903 2.046 361 2HB PRO 51 2HB PRO 51 2.741 -4.887 2.232 362 1HG PRO 51 1HG PRO 51 3.231 -7.042 0.268 363 2HG PRO 51 2HG PRO 51 1.708 -6.318 0.747 364 1HD PRO 51 1HD PRO 51 3.160 -5.816 -1.675 365 2HD PRO 51 2HD PRO 51 1.699 -5.009 -1.143 366 H LEU 52 H LEU 52 6.105 -2.604 1.475 367 HA LEU 52 HA LEU 52 8.172 -3.221 -0.048 368 1HB LEU 52 1HB LEU 52 8.369 -1.574 1.626 369 2HB LEU 52 2HB LEU 52 8.082 -2.724 2.918 370 HG LEU 52 HG LEU 52 10.525 -2.839 1.137 371 1HD1 LEU 52 1HD1 LEU 52 10.190 -0.653 2.480 372 2HD1 LEU 52 2HD1 LEU 52 10.549 -1.659 3.904 373 3HD1 LEU 52 3HD1 LEU 52 11.747 -1.508 2.596 374 1HD2 LEU 52 1HD2 LEU 52 9.487 -4.450 3.347 375 2HD2 LEU 52 2HD2 LEU 52 10.739 -4.822 2.137 376 3HD2 LEU 52 3HD2 LEU 52 11.161 -3.901 3.601 377 H GLN 53 H GLN 53 9.519 -4.905 -0.535 378 HA GLN 53 HA GLN 53 8.747 -7.452 0.157 379 1HB GLN 53 1HB GLN 53 11.161 -8.010 -0.716 380 2HB GLN 53 2HB GLN 53 9.989 -7.318 -1.820 381 1HG GLN 53 1HG GLN 53 11.565 -5.309 -0.284 382 2HG GLN 53 2HG GLN 53 12.519 -6.297 -1.372 383 2HE2 GLN 53 2HE2 GLN 53 10.971 -3.481 -1.137 384 1HE2 GLN 53 1HE2 GLN 53 10.496 -3.184 -2.776 385 H GLU 54 H GLU 54 8.521 -7.505 2.491 386 HA GLU 54 HA GLU 54 10.581 -6.845 4.208 387 1HB GLU 54 1HB GLU 54 9.294 -8.039 5.909 388 2HB GLU 54 2HB GLU 54 8.197 -7.151 4.872 389 1HG GLU 54 1HG GLU 54 7.081 -9.102 4.548 390 2HG GLU 54 2HG GLU 54 8.437 -9.625 3.569 391 H ALA 55 H ALA 55 12.617 -7.691 3.706 392 HA ALA 55 HA ALA 55 12.823 -10.600 3.997 393 1HB ALA 55 1HB ALA 55 14.276 -10.775 2.124 394 2HB ALA 55 2HB ALA 55 12.912 -9.778 1.562 395 3HB ALA 55 3HB ALA 55 14.456 -9.008 1.997 396 H GLU 56 H GLU 56 14.781 -7.550 3.653 397 HA GLU 56 HA GLU 56 16.875 -8.501 5.188 398 1HB GLU 56 1HB GLU 56 15.938 -5.692 4.495 399 2HB GLU 56 2HB GLU 56 17.393 -5.974 5.431 400 1HG GLU 56 1HG GLU 56 18.252 -7.458 3.567 401 2HG GLU 56 2HG GLU 56 16.832 -7.047 2.626 402 H CYS 57 H CYS 57 17.254 -8.614 7.386 403 HA CYS 57 HA CYS 57 15.192 -8.588 9.160 404 1HB CYS 57 1HB CYS 57 18.158 -8.231 9.562 405 2HB CYS 57 2HB CYS 57 17.042 -8.295 10.912 406 H THR 58 H THR 58 17.830 -6.074 8.967 407 HA THR 58 HA THR 58 15.810 -4.087 9.780 408 HB THR 58 HB THR 58 18.753 -4.386 10.577 409 HG1 THR 58 HG1 THR 58 17.459 -5.635 11.942 410 1HG2 THR 58 1HG2 THR 58 16.784 -2.114 10.816 411 2HG2 THR 58 2HG2 THR 58 17.763 -2.499 12.252 412 3HG2 THR 58 3HG2 THR 58 18.561 -2.059 10.722 413 H PHE 59 H PHE 59 19.134 -4.275 8.326 414 HA PHE 59 HA PHE 59 18.134 -2.383 6.315 415 1HB PHE 59 1HB PHE 59 20.702 -2.616 7.948 416 2HB PHE 59 2HB PHE 59 20.786 -1.865 6.367 417 HD1 PHE 59 HD1 PHE 59 18.411 -0.256 6.172 418 HD2 PHE 59 HD2 PHE 59 20.854 -0.983 9.565 419 HE1 PHE 59 HE1 PHE 59 17.676 1.927 7.170 420 HE2 PHE 59 HE2 PHE 59 20.119 1.200 10.563 421 HZ PHE 59 HZ PHE 59 18.538 2.629 9.353 No H/Q in entry = 421 Start of MODEL 25 1 H GLU 1 H GLU 1 1.274 -15.629 17.812 2 HA GLU 1 HA GLU 1 2.937 -15.601 19.504 3 1HB GLU 1 1HB GLU 1 2.849 -17.374 17.370 4 2HB GLU 1 2HB GLU 1 4.539 -16.911 17.381 5 1HG GLU 1 1HG GLU 1 4.800 -17.588 19.704 6 2HG GLU 1 2HG GLU 1 3.071 -17.787 19.906 7 H GLU 2 H GLU 2 3.995 -14.297 16.322 8 HA GLU 2 HA GLU 2 5.950 -12.734 17.782 9 1HB GLU 2 1HB GLU 2 7.706 -13.178 16.139 10 2HB GLU 2 2HB GLU 2 7.157 -14.694 16.824 11 1HG GLU 2 1HG GLU 2 5.867 -15.239 14.861 12 2HG GLU 2 2HG GLU 2 5.975 -13.605 14.239 13 H TYR 3 H TYR 3 7.062 -11.274 15.698 14 HA TYR 3 HA TYR 3 5.398 -9.262 15.217 15 1HB TYR 3 1HB TYR 3 7.152 -8.667 13.772 16 2HB TYR 3 2HB TYR 3 7.896 -10.132 14.381 17 HD1 TYR 3 HD1 TYR 3 7.791 -12.241 13.041 18 HD2 TYR 3 HD2 TYR 3 6.371 -8.511 11.501 19 HE1 TYR 3 HE1 TYR 3 7.851 -13.185 10.681 20 HE2 TYR 3 HE2 TYR 3 6.436 -9.467 9.146 21 HH TYR 3 HH TYR 3 6.641 -12.711 8.524 22 H VAL 4 H VAL 4 3.839 -8.590 13.698 23 HA VAL 4 HA VAL 4 3.149 -9.965 11.406 24 HB VAL 4 HB VAL 4 2.501 -11.845 12.660 25 1HG1 VAL 4 1HG1 VAL 4 2.425 -10.507 14.860 26 2HG1 VAL 4 2HG1 VAL 4 0.717 -10.200 14.461 27 3HG1 VAL 4 3HG1 VAL 4 1.294 -11.870 14.677 28 1HG2 VAL 4 1HG2 VAL 4 0.865 -10.955 10.927 29 2HG2 VAL 4 2HG2 VAL 4 0.200 -12.091 12.125 30 3HG2 VAL 4 3HG2 VAL 4 -0.104 -10.345 12.290 31 H GLY 5 H GLY 5 2.865 -7.920 10.540 32 1HA GLY 5 1HA GLY 5 0.483 -6.678 10.501 33 2HA GLY 5 2HA GLY 5 2.006 -5.840 10.280 34 H LEU 6 H LEU 6 2.913 -4.583 11.981 35 HA LEU 6 HA LEU 6 1.085 -4.223 14.251 36 1HB LEU 6 1HB LEU 6 3.159 -3.629 15.556 37 2HB LEU 6 2HB LEU 6 2.897 -5.324 15.197 38 HG LEU 6 HG LEU 6 4.512 -4.132 13.119 39 1HD1 LEU 6 1HD1 LEU 6 5.115 -2.498 14.866 40 2HD1 LEU 6 2HD1 LEU 6 5.633 -3.836 15.920 41 3HD1 LEU 6 3HD1 LEU 6 6.486 -3.528 14.388 42 1HD2 LEU 6 1HD2 LEU 6 4.562 -6.454 14.961 43 2HD2 LEU 6 2HD2 LEU 6 4.833 -6.365 13.204 44 3HD2 LEU 6 3HD2 LEU 6 6.134 -5.909 14.330 45 H SER 7 H SER 7 3.544 -2.786 12.038 46 HA SER 7 HA SER 7 2.126 -0.272 12.413 47 1HB SER 7 1HB SER 7 4.113 0.978 12.617 48 2HB SER 7 2HB SER 7 4.433 -0.438 13.600 49 HG SER 7 HG SER 7 6.201 -0.576 12.383 50 H ALA 8 H ALA 8 4.199 0.961 10.503 51 HA ALA 8 HA ALA 8 2.918 -0.008 8.078 52 1HB ALA 8 1HB ALA 8 4.678 2.158 7.553 53 2HB ALA 8 2HB ALA 8 2.902 2.198 7.655 54 3HB ALA 8 3HB ALA 8 3.883 2.518 9.105 55 H ASN 9 H ASN 9 4.954 -1.634 9.558 56 HA ASN 9 HA ASN 9 7.446 -1.452 8.534 57 1HB ASN 9 1HB ASN 9 6.546 -3.118 10.269 58 2HB ASN 9 2HB ASN 9 5.917 -4.073 8.942 59 2HD2 ASN 9 2HD2 ASN 9 7.135 -5.660 8.287 60 1HD2 ASN 9 1HD2 ASN 9 8.862 -5.772 8.376 61 H GLN 10 H GLN 10 4.570 -3.262 7.228 62 HA GLN 10 HA GLN 10 5.924 -4.179 4.958 63 1HB GLN 10 1HB GLN 10 3.527 -4.620 4.132 64 2HB GLN 10 2HB GLN 10 4.001 -5.407 5.625 65 1HG GLN 10 1HG GLN 10 2.959 -2.792 6.286 66 2HG GLN 10 2HG GLN 10 1.827 -3.566 5.195 67 2HE2 GLN 10 2HE2 GLN 10 4.050 -5.046 7.524 68 1HE2 GLN 10 1HE2 GLN 10 2.858 -5.793 8.535 69 H CYS 11 H CYS 11 4.245 -1.176 5.790 70 HA CYS 11 HA CYS 11 4.550 -0.317 3.005 71 1HB CYS 11 1HB CYS 11 2.870 1.320 4.788 72 2HB CYS 11 2HB CYS 11 2.639 0.865 3.111 73 H ALA 12 H ALA 12 6.853 -0.420 4.563 74 HA ALA 12 HA ALA 12 7.188 2.351 5.481 75 1HB ALA 12 1HB ALA 12 9.356 0.966 6.439 76 2HB ALA 12 2HB ALA 12 7.850 1.238 7.348 77 3HB ALA 12 3HB ALA 12 8.095 -0.290 6.470 78 H VAL 13 H VAL 13 7.137 1.899 2.718 79 HA VAL 13 HA VAL 13 9.862 1.496 1.852 80 HB VAL 13 HB VAL 13 7.810 2.518 -0.012 81 1HG1 VAL 13 1HG1 VAL 13 10.108 0.656 0.017 82 2HG1 VAL 13 2HG1 VAL 13 8.749 0.163 -1.021 83 3HG1 VAL 13 3HG1 VAL 13 9.525 1.746 -1.264 84 1HG2 VAL 13 1HG2 VAL 13 7.403 0.033 1.628 85 2HG2 VAL 13 2HG2 VAL 13 6.219 1.244 1.082 86 3HG2 VAL 13 3HG2 VAL 13 6.880 0.062 -0.073 87 HA PRO 14 HA PRO 14 10.896 5.693 1.892 88 1HB PRO 14 1HB PRO 14 12.973 5.729 0.117 89 2HB PRO 14 2HB PRO 14 13.145 5.211 1.782 90 1HG PRO 14 1HG PRO 14 13.058 3.565 -0.672 91 2HG PRO 14 2HG PRO 14 13.643 3.130 0.922 92 1HD PRO 14 1HD PRO 14 11.145 2.358 -0.259 93 2HD PRO 14 2HD PRO 14 11.680 2.021 1.375 94 H ALA 15 H ALA 15 9.175 4.342 -0.455 95 HA ALA 15 HA ALA 15 7.758 5.364 -1.867 96 1HB ALA 15 1HB ALA 15 8.732 7.564 -0.473 97 2HB ALA 15 2HB ALA 15 7.440 7.594 -1.697 98 3HB ALA 15 3HB ALA 15 9.119 7.953 -2.166 99 H LYS 16 H LYS 16 11.194 5.130 -2.059 100 HA LYS 16 HA LYS 16 11.168 5.532 -4.949 101 1HB LYS 16 1HB LYS 16 13.617 5.442 -4.756 102 2HB LYS 16 2HB LYS 16 12.920 6.687 -3.739 103 1HG LYS 16 1HG LYS 16 14.623 5.480 -2.459 104 2HG LYS 16 2HG LYS 16 13.049 5.141 -1.768 105 1HD LYS 16 1HD LYS 16 13.006 2.933 -2.577 106 2HD LYS 16 2HD LYS 16 14.088 3.284 -3.910 107 1HE LYS 16 1HE LYS 16 16.023 3.252 -2.521 108 2HE LYS 16 2HE LYS 16 15.096 3.498 -1.055 109 1HZ LYS 16 1HZ LYS 16 14.980 1.074 -2.714 110 2HZ LYS 16 2HZ LYS 16 15.818 1.219 -1.319 111 3HZ LYS 16 3HZ LYS 16 14.187 1.306 -1.305 112 H ASP 17 H ASP 17 10.161 3.170 -2.989 113 HA ASP 17 HA ASP 17 11.266 1.135 -4.754 114 1HB ASP 17 1HB ASP 17 11.469 1.332 -1.869 115 2HB ASP 17 2HB ASP 17 10.471 -0.055 -2.257 116 H ARG 18 H ARG 18 8.683 2.904 -4.428 117 HA ARG 18 HA ARG 18 6.683 1.077 -3.660 118 1HB ARG 18 1HB ARG 18 6.299 3.584 -5.359 119 2HB ARG 18 2HB ARG 18 5.122 2.831 -4.301 120 1HG ARG 18 1HG ARG 18 7.744 4.084 -3.356 121 2HG ARG 18 2HG ARG 18 6.186 4.884 -3.300 122 1HD ARG 18 1HD ARG 18 5.412 2.739 -1.953 123 2HD ARG 18 2HD ARG 18 7.127 2.479 -1.706 124 HE ARG 18 HE ARG 18 7.059 4.170 -0.110 125 1HH1 ARG 18 1HH1 ARG 18 4.533 4.790 -2.481 126 2HH1 ARG 18 2HH1 ARG 18 3.947 6.206 -1.675 127 1HH2 ARG 18 1HH2 ARG 18 6.286 6.039 0.953 128 2HH2 ARG 18 2HH2 ARG 18 4.951 6.922 0.291 129 H VAL 19 H VAL 19 6.092 -0.678 -4.899 130 HA VAL 19 HA VAL 19 6.728 -0.727 -7.693 131 HB VAL 19 HB VAL 19 5.243 -2.685 -5.930 132 1HG1 VAL 19 1HG1 VAL 19 6.130 -2.748 -8.787 133 2HG1 VAL 19 2HG1 VAL 19 6.260 -4.244 -7.832 134 3HG1 VAL 19 3HG1 VAL 19 4.681 -3.443 -8.020 135 1HG2 VAL 19 1HG2 VAL 19 8.177 -2.404 -6.628 136 2HG2 VAL 19 2HG2 VAL 19 7.421 -2.434 -5.016 137 3HG2 VAL 19 3HG2 VAL 19 7.469 -3.914 -6.005 138 H ASP 20 H ASP 20 4.239 0.636 -5.850 139 HA ASP 20 HA ASP 20 2.281 1.439 -6.317 140 1HB ASP 20 1HB ASP 20 3.151 2.575 -8.219 141 2HB ASP 20 2HB ASP 20 3.379 1.089 -9.120 142 H CYS 21 H CYS 21 0.491 0.178 -5.787 143 HA CYS 21 HA CYS 21 0.234 -2.436 -6.926 144 1HB CYS 21 1HB CYS 21 -0.441 -1.318 -4.513 145 2HB CYS 21 2HB CYS 21 -1.997 -1.397 -5.316 146 H GLY 22 H GLY 22 -0.841 0.829 -7.552 147 1HA GLY 22 1HA GLY 22 -2.179 0.086 -9.939 148 2HA GLY 22 2HA GLY 22 -2.095 1.681 -9.219 149 H TYR 23 H TYR 23 -3.734 2.395 -7.738 150 HA TYR 23 HA TYR 23 -6.174 0.791 -7.930 151 1HB TYR 23 1HB TYR 23 -4.618 1.852 -5.534 152 2HB TYR 23 2HB TYR 23 -6.366 1.846 -5.417 153 HD1 TYR 23 HD1 TYR 23 -7.551 -0.443 -5.949 154 HD2 TYR 23 HD2 TYR 23 -3.413 -0.058 -4.931 155 HE1 TYR 23 HE1 TYR 23 -7.488 -2.886 -5.249 156 HE2 TYR 23 HE2 TYR 23 -3.365 -2.503 -4.234 157 HH TYR 23 HH TYR 23 -5.214 -4.669 -5.138 158 HA PRO 24 HA PRO 24 -7.876 4.674 -8.812 159 1HB PRO 24 1HB PRO 24 -10.535 4.134 -8.483 160 2HB PRO 24 2HB PRO 24 -9.645 3.718 -9.934 161 1HG PRO 24 1HG PRO 24 -10.564 1.949 -7.751 162 2HG PRO 24 2HG PRO 24 -10.065 1.520 -9.375 163 1HD PRO 24 1HD PRO 24 -8.532 1.210 -6.971 164 2HD PRO 24 2HD PRO 24 -7.991 0.890 -8.607 165 H HIS 25 H HIS 25 -10.139 3.581 -6.357 166 HA HIS 25 HA HIS 25 -9.748 6.114 -5.039 167 1HB HIS 25 1HB HIS 25 -11.700 5.582 -3.792 168 2HB HIS 25 2HB HIS 25 -12.005 5.142 -5.461 169 HD1 HIS 25 HD1 HIS 25 -13.707 3.857 -3.267 170 HD2 HIS 25 HD2 HIS 25 -10.153 2.166 -4.718 171 HE1 HIS 25 HE1 HIS 25 -13.840 1.362 -2.752 172 HE2 HIS 25 HE2 HIS 25 -11.654 0.368 -3.716 173 H VAL 26 H VAL 26 -7.545 5.858 -4.305 174 HA VAL 26 HA VAL 26 -7.108 3.707 -2.392 175 HB VAL 26 HB VAL 26 -4.767 4.539 -2.464 176 1HG1 VAL 26 1HG1 VAL 26 -6.071 3.800 -5.104 177 2HG1 VAL 26 2HG1 VAL 26 -4.317 3.771 -4.802 178 3HG1 VAL 26 3HG1 VAL 26 -5.396 2.692 -3.884 179 1HG2 VAL 26 1HG2 VAL 26 -5.449 6.905 -3.119 180 2HG2 VAL 26 2HG2 VAL 26 -4.053 6.216 -3.982 181 3HG2 VAL 26 3HG2 VAL 26 -5.644 6.285 -4.777 182 H THR 27 H THR 27 -6.803 4.036 -0.188 183 HA THR 27 HA THR 27 -6.620 6.733 0.827 184 HB THR 27 HB THR 27 -8.754 6.836 1.825 185 HG1 THR 27 HG1 THR 27 -9.908 4.751 2.166 186 1HG2 THR 27 1HG2 THR 27 -9.183 5.024 -0.609 187 2HG2 THR 27 2HG2 THR 27 -10.483 5.883 0.252 188 3HG2 THR 27 3HG2 THR 27 -9.226 6.804 -0.608 189 HA PRO 28 HA PRO 28 -4.676 4.734 4.091 190 1HB PRO 28 1HB PRO 28 -5.385 6.140 6.325 191 2HB PRO 28 2HB PRO 28 -4.182 6.702 5.181 192 1HG PRO 28 1HG PRO 28 -6.963 7.633 5.555 193 2HG PRO 28 2HG PRO 28 -5.636 8.437 4.741 194 1HD PRO 28 1HD PRO 28 -7.836 7.075 3.504 195 2HD PRO 28 2HD PRO 28 -6.450 7.778 2.694 196 H LYS 29 H LYS 29 -6.962 3.361 3.258 197 HA LYS 29 HA LYS 29 -7.211 1.575 5.357 198 1HB LYS 29 1HB LYS 29 -8.518 3.699 6.214 199 2HB LYS 29 2HB LYS 29 -9.785 3.108 5.157 200 1HG LYS 29 1HG LYS 29 -8.631 0.914 6.725 201 2HG LYS 29 2HG LYS 29 -9.191 2.200 7.775 202 1HD LYS 29 1HD LYS 29 -11.428 2.137 6.763 203 2HD LYS 29 2HD LYS 29 -10.892 1.003 5.539 204 1HE LYS 29 1HE LYS 29 -10.635 -0.776 7.130 205 2HE LYS 29 2HE LYS 29 -10.659 0.323 8.495 206 1HZ LYS 29 1HZ LYS 29 -13.004 0.835 7.382 207 2HZ LYS 29 2HZ LYS 29 -12.852 -0.743 6.988 208 3HZ LYS 29 3HZ LYS 29 -12.789 -0.283 8.553 209 H GLU 30 H GLU 30 -8.969 3.181 2.635 210 HA GLU 30 HA GLU 30 -10.204 0.784 1.843 211 1HB GLU 30 1HB GLU 30 -11.167 2.970 1.288 212 2HB GLU 30 2HB GLU 30 -9.741 3.414 0.373 213 1HG GLU 30 1HG GLU 30 -10.601 2.435 -1.479 214 2HG GLU 30 2HG GLU 30 -10.645 0.888 -0.658 215 H CYS 31 H CYS 31 -7.241 2.573 0.835 216 HA CYS 31 HA CYS 31 -6.667 0.904 -1.343 217 1HB CYS 31 1HB CYS 31 -5.571 2.900 -1.490 218 2HB CYS 31 2HB CYS 31 -5.213 2.973 0.224 219 H ASN 32 H ASN 32 -6.137 0.760 2.173 220 HA ASN 32 HA ASN 32 -4.323 -1.453 1.868 221 1HB ASN 32 1HB ASN 32 -3.630 -0.888 3.983 222 2HB ASN 32 2HB ASN 32 -4.592 0.562 3.779 223 2HD2 ASN 32 2HD2 ASN 32 -4.081 -2.198 5.589 224 1HD2 ASN 32 1HD2 ASN 32 -5.533 -2.230 6.532 225 H ASN 33 H ASN 33 -7.584 -1.052 1.579 226 HA ASN 33 HA ASN 33 -8.274 -3.356 3.201 227 1HB ASN 33 1HB ASN 33 -9.766 -1.442 3.511 228 2HB ASN 33 2HB ASN 33 -9.951 -1.229 1.781 229 2HD2 ASN 33 2HD2 ASN 33 -12.212 -1.325 2.969 230 1HD2 ASN 33 1HD2 ASN 33 -13.034 -2.844 2.845 231 H ARG 34 H ARG 34 -8.263 -1.972 -0.128 232 HA ARG 34 HA ARG 34 -9.666 -3.968 -1.379 233 1HB ARG 34 1HB ARG 34 -8.526 -1.623 -2.176 234 2HB ARG 34 2HB ARG 34 -7.339 -2.731 -2.835 235 1HG ARG 34 1HG ARG 34 -10.345 -2.856 -3.371 236 2HG ARG 34 2HG ARG 34 -9.151 -2.207 -4.477 237 1HD ARG 34 1HD ARG 34 -8.022 -4.640 -4.072 238 2HD ARG 34 2HD ARG 34 -9.685 -5.072 -3.724 239 HE ARG 34 HE ARG 34 -9.592 -3.518 -6.144 240 1HH1 ARG 34 1HH1 ARG 34 -8.797 -6.717 -4.912 241 2HH1 ARG 34 2HH1 ARG 34 -8.984 -7.495 -6.448 242 1HH2 ARG 34 1HH2 ARG 34 -9.839 -4.544 -8.171 243 2HH2 ARG 34 2HH2 ARG 34 -9.581 -6.250 -8.315 244 H GLY 35 H GLY 35 -6.300 -3.794 -0.244 245 1HA GLY 35 1HA GLY 35 -5.768 -6.440 -1.456 246 2HA GLY 35 2HA GLY 35 -5.420 -6.083 0.223 247 H CYS 36 H CYS 36 -3.946 -4.114 0.644 248 HA CYS 36 HA CYS 36 -1.523 -4.494 -0.500 249 1HB CYS 36 1HB CYS 36 -3.162 -3.169 -2.375 250 2HB CYS 36 2HB CYS 36 -2.074 -1.950 -1.741 251 H CYS 37 H CYS 37 -0.585 -1.711 -0.528 252 HA CYS 37 HA CYS 37 -1.301 -0.953 2.212 253 1HB CYS 37 1HB CYS 37 1.340 -1.260 0.885 254 2HB CYS 37 2HB CYS 37 1.152 0.115 1.954 255 H PHE 38 H PHE 38 -1.231 1.418 2.617 256 HA PHE 38 HA PHE 38 -1.584 2.928 0.123 257 1HB PHE 38 1HB PHE 38 -3.691 2.634 1.398 258 2HB PHE 38 2HB PHE 38 -2.891 3.047 2.901 259 HD1 PHE 38 HD1 PHE 38 -4.091 4.417 -0.310 260 HD2 PHE 38 HD2 PHE 38 -2.640 5.313 3.576 261 HE1 PHE 38 HE1 PHE 38 -4.758 6.817 -0.615 262 HE2 PHE 38 HE2 PHE 38 -3.307 7.713 3.271 263 HZ PHE 38 HZ PHE 38 -4.358 8.437 1.179 264 H ASP 39 H ASP 39 -1.377 5.439 0.645 265 HA ASP 39 HA ASP 39 0.208 6.240 2.749 266 1HB ASP 39 1HB ASP 39 2.020 4.942 1.742 267 2HB ASP 39 2HB ASP 39 1.701 5.627 0.161 268 H SER 40 H SER 40 0.500 8.585 2.628 269 HA SER 40 HA SER 40 -0.286 9.794 0.115 270 1HB SER 40 1HB SER 40 -1.859 11.318 1.236 271 2HB SER 40 2HB SER 40 -2.348 9.653 1.478 272 HG SER 40 HG SER 40 -1.219 9.764 3.596 273 H ARG 41 H ARG 41 2.171 9.379 2.017 274 HA ARG 41 HA ARG 41 2.769 11.812 3.163 275 1HB ARG 41 1HB ARG 41 3.945 9.369 3.175 276 2HB ARG 41 2HB ARG 41 4.989 10.136 1.995 277 1HG ARG 41 1HG ARG 41 4.452 11.804 4.400 278 2HG ARG 41 2HG ARG 41 5.305 10.312 4.743 279 1HD ARG 41 1HD ARG 41 6.871 10.965 2.752 280 2HD ARG 41 2HD ARG 41 6.154 12.559 2.872 281 HE ARG 41 HE ARG 41 7.091 11.532 5.449 282 1HH1 ARG 41 1HH1 ARG 41 8.029 13.251 2.525 283 2HH1 ARG 41 2HH1 ARG 41 9.373 14.049 3.272 284 1HH2 ARG 41 1HH2 ARG 41 8.865 12.584 6.435 285 2HH2 ARG 41 2HH2 ARG 41 9.852 13.666 5.511 286 H ILE 42 H ILE 42 3.136 10.550 -0.163 287 HA ILE 42 HA ILE 42 3.597 13.220 -1.113 288 HB ILE 42 HB ILE 42 5.627 11.983 -2.454 289 1HG1 ILE 42 1HG1 ILE 42 7.099 11.011 -0.688 290 2HG1 ILE 42 2HG1 ILE 42 5.745 11.038 0.424 291 1HG2 ILE 42 1HG2 ILE 42 5.310 14.058 -0.424 292 2HG2 ILE 42 2HG2 ILE 42 6.916 13.291 -0.386 293 3HG2 ILE 42 3HG2 ILE 42 6.316 14.027 -1.892 294 1HD1 ILE 42 1HD1 ILE 42 5.800 9.554 -2.245 295 2HD1 ILE 42 2HD1 ILE 42 5.982 8.810 -0.638 296 3HD1 ILE 42 3HD1 ILE 42 4.438 9.569 -1.098 297 HA PRO 43 HA PRO 43 1.210 11.328 -4.199 298 1HB PRO 43 1HB PRO 43 0.959 13.464 -5.885 299 2HB PRO 43 2HB PRO 43 -0.057 13.230 -4.477 300 1HG PRO 43 1HG PRO 43 2.182 15.123 -4.854 301 2HG PRO 43 2HG PRO 43 0.906 15.158 -3.653 302 1HD PRO 43 1HD PRO 43 3.625 14.340 -3.245 303 2HD PRO 43 2HD PRO 43 2.321 14.265 -2.076 304 H GLY 44 H GLY 44 4.098 13.100 -5.072 305 1HA GLY 44 1HA GLY 44 5.800 12.411 -6.406 306 2HA GLY 44 2HA GLY 44 4.540 12.432 -7.624 307 H VAL 45 H VAL 45 4.625 10.190 -4.818 308 HA VAL 45 HA VAL 45 5.402 8.030 -6.632 309 HB VAL 45 HB VAL 45 6.233 6.918 -4.816 310 1HG1 VAL 45 1HG1 VAL 45 6.438 9.859 -4.101 311 2HG1 VAL 45 2HG1 VAL 45 7.389 8.576 -3.317 312 3HG1 VAL 45 3HG1 VAL 45 7.582 8.888 -5.059 313 1HG2 VAL 45 1HG2 VAL 45 4.334 8.501 -3.054 314 2HG2 VAL 45 2HG2 VAL 45 4.215 6.780 -3.494 315 3HG2 VAL 45 3HG2 VAL 45 5.546 7.343 -2.454 316 HA PRO 46 HA PRO 46 1.479 6.224 -6.431 317 1HB PRO 46 1HB PRO 46 1.938 3.544 -6.154 318 2HB PRO 46 2HB PRO 46 2.108 4.393 -7.677 319 1HG PRO 46 1HG PRO 46 4.220 3.407 -5.860 320 2HG PRO 46 2HG PRO 46 4.349 3.862 -7.547 321 1HD PRO 46 1HD PRO 46 5.197 5.406 -5.283 322 2HD PRO 46 2HD PRO 46 5.219 5.908 -6.962 323 H TRP 47 H TRP 47 0.629 7.302 -4.623 324 HA TRP 47 HA TRP 47 0.971 6.917 -2.070 325 1HB TRP 47 1HB TRP 47 -1.543 7.168 -3.656 326 2HB TRP 47 2HB TRP 47 -1.678 6.840 -1.940 327 HD1 TRP 47 HD1 TRP 47 1.189 9.111 -3.110 328 HE1 TRP 47 HE1 TRP 47 0.832 11.603 -2.318 329 HE3 TRP 47 HE3 TRP 47 -3.546 8.437 -1.383 330 HZ2 TRP 47 HZ2 TRP 47 -1.342 12.981 -1.084 331 HZ3 TRP 47 HZ3 TRP 47 -4.715 10.407 -0.399 332 HH2 TRP 47 HH2 TRP 47 -3.688 12.619 -0.235 333 H CYS 48 H CYS 48 -1.093 4.658 -4.047 334 HA CYS 48 HA CYS 48 -0.942 2.728 -1.900 335 1HB CYS 48 1HB CYS 48 -3.021 3.334 -3.345 336 2HB CYS 48 2HB CYS 48 -2.302 2.272 -4.540 337 H PHE 49 H PHE 49 0.747 1.289 -1.843 338 HA PHE 49 HA PHE 49 1.767 0.318 -4.399 339 1HB PHE 49 1HB PHE 49 4.097 0.550 -3.239 340 2HB PHE 49 2HB PHE 49 3.358 2.045 -3.777 341 HD1 PHE 49 HD1 PHE 49 3.654 -0.120 -0.760 342 HD2 PHE 49 HD2 PHE 49 3.106 3.804 -2.280 343 HE1 PHE 49 HE1 PHE 49 3.833 0.806 1.566 344 HE2 PHE 49 HE2 PHE 49 3.285 4.730 0.046 345 HZ PHE 49 HZ PHE 49 3.647 3.220 1.941 346 H LYS 50 H LYS 50 3.240 -1.653 -4.044 347 HA LYS 50 HA LYS 50 1.848 -3.475 -2.391 348 1HB LYS 50 1HB LYS 50 4.521 -3.909 -3.742 349 2HB LYS 50 2HB LYS 50 3.342 -5.119 -3.279 350 1HG LYS 50 1HG LYS 50 1.689 -3.913 -4.867 351 2HG LYS 50 2HG LYS 50 3.067 -3.010 -5.463 352 1HD LYS 50 1HD LYS 50 3.065 -4.798 -6.963 353 2HD LYS 50 2HD LYS 50 4.168 -5.413 -5.749 354 1HE LYS 50 1HE LYS 50 2.577 -6.906 -4.851 355 2HE LYS 50 2HE LYS 50 1.213 -5.961 -5.416 356 1HZ LYS 50 1HZ LYS 50 2.987 -7.084 -7.413 357 2HZ LYS 50 2HZ LYS 50 1.974 -8.105 -6.640 358 3HZ LYS 50 3HZ LYS 50 1.374 -6.838 -7.478 359 HA PRO 51 HA PRO 51 4.181 -3.311 1.236 360 1HB PRO 51 1HB PRO 51 4.313 -5.911 2.067 361 2HB PRO 51 2HB PRO 51 2.891 -4.909 2.277 362 1HG PRO 51 1HG PRO 51 3.353 -7.089 0.334 363 2HG PRO 51 2HG PRO 51 1.835 -6.377 0.844 364 1HD PRO 51 1HD PRO 51 3.213 -5.896 -1.626 365 2HD PRO 51 2HD PRO 51 1.757 -5.098 -1.065 366 H LEU 52 H LEU 52 6.217 -2.737 1.636 367 HA LEU 52 HA LEU 52 8.272 -3.180 0.038 368 1HB LEU 52 1HB LEU 52 8.473 -1.742 1.902 369 2HB LEU 52 2HB LEU 52 8.211 -3.045 3.044 370 HG LEU 52 HG LEU 52 10.636 -2.845 1.239 371 1HD1 LEU 52 1HD1 LEU 52 9.989 -1.352 3.615 372 2HD1 LEU 52 2HD1 LEU 52 11.384 -2.414 3.920 373 3HD1 LEU 52 3HD1 LEU 52 11.426 -1.256 2.569 374 1HD2 LEU 52 1HD2 LEU 52 9.619 -4.902 3.021 375 2HD2 LEU 52 2HD2 LEU 52 10.952 -4.961 1.844 376 3HD2 LEU 52 3HD2 LEU 52 11.248 -4.361 3.493 377 H GLN 53 H GLN 53 9.762 -4.758 -0.517 378 HA GLN 53 HA GLN 53 8.937 -7.383 -0.206 379 1HB GLN 53 1HB GLN 53 11.215 -5.939 -1.425 380 2HB GLN 53 2HB GLN 53 11.628 -7.557 -0.893 381 1HG GLN 53 1HG GLN 53 10.721 -8.271 -2.856 382 2HG GLN 53 2HG GLN 53 9.163 -7.976 -2.109 383 2HE2 GLN 53 2HE2 GLN 53 8.788 -5.392 -2.020 384 1HE2 GLN 53 1HE2 GLN 53 8.846 -4.631 -3.575 385 H GLU 54 H GLU 54 8.632 -7.581 2.149 386 HA GLU 54 HA GLU 54 10.491 -7.139 4.040 387 1HB GLU 54 1HB GLU 54 9.205 -8.526 5.448 388 2HB GLU 54 2HB GLU 54 8.056 -8.029 4.221 389 1HG GLU 54 1HG GLU 54 8.837 -10.222 2.960 390 2HG GLU 54 2HG GLU 54 9.444 -10.708 4.530 391 H ALA 55 H ALA 55 12.540 -7.861 4.422 392 HA ALA 55 HA ALA 55 13.202 -10.610 4.029 393 1HB ALA 55 1HB ALA 55 14.442 -10.519 2.118 394 2HB ALA 55 2HB ALA 55 13.382 -9.138 1.742 395 3HB ALA 55 3HB ALA 55 14.998 -8.858 2.434 396 H GLU 56 H GLU 56 13.167 -9.517 6.405 397 HA GLU 56 HA GLU 56 15.856 -8.484 6.846 398 1HB GLU 56 1HB GLU 56 13.258 -8.129 8.380 399 2HB GLU 56 2HB GLU 56 14.805 -7.787 9.128 400 1HG GLU 56 1HG GLU 56 14.487 -5.695 8.238 401 2HG GLU 56 2HG GLU 56 15.141 -6.424 6.785 402 H CYS 57 H CYS 57 13.304 -10.508 8.480 403 HA CYS 57 HA CYS 57 15.494 -12.067 9.631 404 1HB CYS 57 1HB CYS 57 12.615 -11.774 10.510 405 2HB CYS 57 2HB CYS 57 13.764 -12.884 11.231 406 H THR 58 H THR 58 12.006 -12.757 8.886 407 HA THR 58 HA THR 58 12.927 -14.983 7.188 408 HB THR 58 HB THR 58 10.794 -16.126 8.121 409 HG1 THR 58 HG1 THR 58 9.850 -15.002 9.849 410 1HG2 THR 58 1HG2 THR 58 13.167 -15.409 9.901 411 2HG2 THR 58 2HG2 THR 58 11.851 -16.456 10.483 412 3HG2 THR 58 3HG2 THR 58 12.836 -16.957 9.088 413 H PHE 59 H PHE 59 10.910 -15.813 5.833 414 HA PHE 59 HA PHE 59 10.441 -14.079 3.867 415 1HB PHE 59 1HB PHE 59 9.282 -16.524 4.991 416 2HB PHE 59 2HB PHE 59 7.980 -15.534 4.365 417 HD1 PHE 59 HD1 PHE 59 8.664 -14.441 1.944 418 HD2 PHE 59 HD2 PHE 59 10.087 -18.108 3.538 419 HE1 PHE 59 HE1 PHE 59 9.157 -15.259 -0.378 420 HE2 PHE 59 HE2 PHE 59 10.580 -18.925 1.216 421 HZ PHE 59 HZ PHE 59 10.110 -17.491 -0.713 No H/Q in entry = 421 Start of MODEL 26 1 H GLU 1 H GLU 1 8.067 -15.928 19.901 2 HA GLU 1 HA GLU 1 9.336 -14.978 17.632 3 1HB GLU 1 1HB GLU 1 9.232 -17.396 19.144 4 2HB GLU 1 2HB GLU 1 8.894 -17.846 17.484 5 1HG GLU 1 1HG GLU 1 10.998 -16.016 17.214 6 2HG GLU 1 2HG GLU 1 11.412 -16.869 18.689 7 H GLU 2 H GLU 2 7.248 -13.838 16.799 8 HA GLU 2 HA GLU 2 6.488 -15.060 14.474 9 1HB GLU 2 1HB GLU 2 5.050 -16.168 16.638 10 2HB GLU 2 2HB GLU 2 3.930 -15.038 15.903 11 1HG GLU 2 1HG GLU 2 5.024 -16.256 13.664 12 2HG GLU 2 2HG GLU 2 5.042 -17.575 14.817 13 H TYR 3 H TYR 3 7.201 -12.800 14.085 14 HA TYR 3 HA TYR 3 4.964 -10.935 14.501 15 1HB TYR 3 1HB TYR 3 7.484 -10.867 15.690 16 2HB TYR 3 2HB TYR 3 7.820 -9.991 14.209 17 HD1 TYR 3 HD1 TYR 3 4.655 -9.937 16.189 18 HD2 TYR 3 HD2 TYR 3 8.159 -7.793 14.994 19 HE1 TYR 3 HE1 TYR 3 3.718 -7.814 17.227 20 HE2 TYR 3 HE2 TYR 3 7.211 -5.677 16.036 21 HH TYR 3 HH TYR 3 4.162 -5.761 17.829 22 H VAL 4 H VAL 4 4.663 -9.336 12.820 23 HA VAL 4 HA VAL 4 6.277 -9.142 10.570 24 HB VAL 4 HB VAL 4 5.302 -11.573 10.469 25 1HG1 VAL 4 1HG1 VAL 4 2.923 -10.571 10.744 26 2HG1 VAL 4 2HG1 VAL 4 3.063 -10.170 9.015 27 3HG1 VAL 4 3HG1 VAL 4 3.176 -11.865 9.548 28 1HG2 VAL 4 1HG2 VAL 4 6.670 -10.353 8.739 29 2HG2 VAL 4 2HG2 VAL 4 5.524 -11.547 8.083 30 3HG2 VAL 4 3HG2 VAL 4 5.141 -9.810 8.006 31 H GLY 5 H GLY 5 5.731 -7.233 9.609 32 1HA GLY 5 1HA GLY 5 3.245 -6.316 8.949 33 2HA GLY 5 2HA GLY 5 4.622 -5.295 9.312 34 H LEU 6 H LEU 6 4.735 -4.164 11.276 35 HA LEU 6 HA LEU 6 2.587 -4.729 13.188 36 1HB LEU 6 1HB LEU 6 4.653 -2.893 14.075 37 2HB LEU 6 2HB LEU 6 4.020 -4.341 14.833 38 HG LEU 6 HG LEU 6 6.314 -4.740 14.525 39 1HD1 LEU 6 1HD1 LEU 6 4.472 -6.411 13.440 40 2HD1 LEU 6 2HD1 LEU 6 5.552 -6.156 12.048 41 3HD1 LEU 6 3HD1 LEU 6 6.208 -6.778 13.581 42 1HD2 LEU 6 1HD2 LEU 6 6.042 -3.001 12.281 43 2HD2 LEU 6 2HD2 LEU 6 7.525 -3.599 13.063 44 3HD2 LEU 6 3HD2 LEU 6 6.791 -4.518 11.728 45 H SER 7 H SER 7 4.497 -1.743 12.468 46 HA SER 7 HA SER 7 2.001 -0.310 12.500 47 1HB SER 7 1HB SER 7 3.762 1.670 12.200 48 2HB SER 7 2HB SER 7 3.516 0.906 13.758 49 HG SER 7 HG SER 7 5.538 0.217 13.723 50 H ALA 8 H ALA 8 4.992 0.203 10.506 51 HA ALA 8 HA ALA 8 3.303 0.045 8.113 52 1HB ALA 8 1HB ALA 8 4.245 2.069 7.250 53 2HB ALA 8 2HB ALA 8 5.447 2.150 8.560 54 3HB ALA 8 3HB ALA 8 3.726 2.432 8.913 55 H ASN 9 H ASN 9 5.595 -1.465 9.803 56 HA ASN 9 HA ASN 9 7.888 -1.576 8.466 57 1HB ASN 9 1HB ASN 9 7.418 -2.987 10.435 58 2HB ASN 9 2HB ASN 9 6.228 -3.914 9.542 59 2HD2 ASN 9 2HD2 ASN 9 6.934 -5.851 9.118 60 1HD2 ASN 9 1HD2 ASN 9 8.522 -6.305 8.593 61 H GLN 10 H GLN 10 4.682 -2.618 7.387 62 HA GLN 10 HA GLN 10 5.796 -4.113 5.187 63 1HB GLN 10 1HB GLN 10 3.587 -4.568 6.680 64 2HB GLN 10 2HB GLN 10 2.847 -3.600 5.421 65 1HG GLN 10 1HG GLN 10 2.727 -5.535 4.223 66 2HG GLN 10 2HG GLN 10 4.441 -5.320 3.934 67 2HE2 GLN 10 2HE2 GLN 10 5.697 -5.890 6.166 68 1HE2 GLN 10 1HE2 GLN 10 5.400 -7.502 6.726 69 H CYS 11 H CYS 11 4.176 -1.022 5.934 70 HA CYS 11 HA CYS 11 4.398 -0.340 3.092 71 1HB CYS 11 1HB CYS 11 2.659 1.271 4.888 72 2HB CYS 11 2HB CYS 11 2.493 0.908 3.181 73 H ALA 12 H ALA 12 6.718 -0.275 4.624 74 HA ALA 12 HA ALA 12 6.991 2.581 5.274 75 1HB ALA 12 1HB ALA 12 9.043 1.559 6.603 76 2HB ALA 12 2HB ALA 12 7.406 1.528 7.302 77 3HB ALA 12 3HB ALA 12 8.073 0.069 6.530 78 H VAL 13 H VAL 13 7.095 2.185 2.650 79 HA VAL 13 HA VAL 13 9.825 1.500 1.915 80 HB VAL 13 HB VAL 13 7.939 2.459 -0.131 81 1HG1 VAL 13 1HG1 VAL 13 10.137 0.558 0.179 82 2HG1 VAL 13 2HG1 VAL 13 8.774 -0.120 -0.743 83 3HG1 VAL 13 3HG1 VAL 13 9.543 1.394 -1.275 84 1HG2 VAL 13 1HG2 VAL 13 7.277 0.101 1.635 85 2HG2 VAL 13 2HG2 VAL 13 6.221 1.425 1.086 86 3HG2 VAL 13 3HG2 VAL 13 6.746 0.170 -0.062 87 HA PRO 14 HA PRO 14 11.041 5.636 1.628 88 1HB PRO 14 1HB PRO 14 13.058 5.493 -0.211 89 2HB PRO 14 2HB PRO 14 13.263 5.052 1.472 90 1HG PRO 14 1HG PRO 14 13.026 3.290 -0.890 91 2HG PRO 14 2HG PRO 14 13.645 2.910 0.705 92 1HD PRO 14 1HD PRO 14 11.079 2.190 -0.356 93 2HD PRO 14 2HD PRO 14 11.654 1.912 1.276 94 H ALA 15 H ALA 15 9.221 4.224 -0.625 95 HA ALA 15 HA ALA 15 7.798 5.226 -2.046 96 1HB ALA 15 1HB ALA 15 8.823 7.448 -0.755 97 2HB ALA 15 2HB ALA 15 7.550 7.476 -1.998 98 3HB ALA 15 3HB ALA 15 9.246 7.763 -2.455 99 H LYS 16 H LYS 16 11.315 5.293 -2.340 100 HA LYS 16 HA LYS 16 11.172 5.406 -5.231 101 1HB LYS 16 1HB LYS 16 13.598 5.457 -5.135 102 2HB LYS 16 2HB LYS 16 12.920 6.659 -4.055 103 1HG LYS 16 1HG LYS 16 14.445 5.716 -2.592 104 2HG LYS 16 2HG LYS 16 13.094 4.647 -2.273 105 1HD LYS 16 1HD LYS 16 14.490 2.936 -2.822 106 2HD LYS 16 2HD LYS 16 14.289 3.442 -4.487 107 1HE LYS 16 1HE LYS 16 16.533 3.811 -4.529 108 2HE LYS 16 2HE LYS 16 16.234 5.218 -3.528 109 1HZ LYS 16 1HZ LYS 16 16.695 2.514 -2.475 110 2HZ LYS 16 2HZ LYS 16 17.836 3.678 -2.569 111 3HZ LYS 16 3HZ LYS 16 16.542 3.880 -1.593 112 H ASP 17 H ASP 17 10.358 3.120 -3.054 113 HA ASP 17 HA ASP 17 11.447 1.023 -4.759 114 1HB ASP 17 1HB ASP 17 11.819 1.399 -1.945 115 2HB ASP 17 2HB ASP 17 10.713 0.050 -2.112 116 H ARG 18 H ARG 18 8.839 2.700 -4.592 117 HA ARG 18 HA ARG 18 6.894 0.906 -3.613 118 1HB ARG 18 1HB ARG 18 6.392 3.213 -5.543 119 2HB ARG 18 2HB ARG 18 5.284 2.556 -4.356 120 1HG ARG 18 1HG ARG 18 7.923 3.679 -3.399 121 2HG ARG 18 2HG ARG 18 6.657 4.798 -3.865 122 1HD ARG 18 1HD ARG 18 5.305 2.908 -2.274 123 2HD ARG 18 2HD ARG 18 6.849 3.092 -1.466 124 HE ARG 18 HE ARG 18 5.448 5.589 -2.254 125 1HH1 ARG 18 1HH1 ARG 18 6.317 3.326 0.296 126 2HH1 ARG 18 2HH1 ARG 18 5.962 4.435 1.578 127 1HH2 ARG 18 1HH2 ARG 18 4.980 7.054 -0.564 128 2HH2 ARG 18 2HH2 ARG 18 5.196 6.571 1.085 129 H VAL 19 H VAL 19 5.612 -0.584 -4.771 130 HA VAL 19 HA VAL 19 6.519 -1.107 -7.491 131 HB VAL 19 HB VAL 19 4.962 -2.697 -5.450 132 1HG1 VAL 19 1HG1 VAL 19 5.583 -3.357 -8.343 133 2HG1 VAL 19 2HG1 VAL 19 5.143 -4.581 -7.128 134 3HG1 VAL 19 3HG1 VAL 19 3.991 -3.291 -7.549 135 1HG2 VAL 19 1HG2 VAL 19 7.768 -2.791 -6.546 136 2HG2 VAL 19 2HG2 VAL 19 7.213 -2.812 -4.855 137 3HG2 VAL 19 3HG2 VAL 19 7.004 -4.253 -5.879 138 H ASP 20 H ASP 20 4.272 0.833 -6.022 139 HA ASP 20 HA ASP 20 2.322 1.650 -6.543 140 1HB ASP 20 1HB ASP 20 3.406 2.631 -8.425 141 2HB ASP 20 2HB ASP 20 3.548 1.097 -9.260 142 H CYS 21 H CYS 21 0.732 0.183 -5.756 143 HA CYS 21 HA CYS 21 0.231 -2.292 -6.994 144 1HB CYS 21 1HB CYS 21 -0.357 -1.195 -4.579 145 2HB CYS 21 2HB CYS 21 -1.918 -1.080 -5.366 146 H GLY 22 H GLY 22 -0.787 1.041 -7.521 147 1HA GLY 22 1HA GLY 22 -2.055 0.423 -9.975 148 2HA GLY 22 2HA GLY 22 -2.020 1.973 -9.158 149 H TYR 23 H TYR 23 -3.724 2.588 -7.722 150 HA TYR 23 HA TYR 23 -6.120 0.938 -8.055 151 1HB TYR 23 1HB TYR 23 -4.630 1.887 -5.583 152 2HB TYR 23 2HB TYR 23 -6.380 1.946 -5.504 153 HD1 TYR 23 HD1 TYR 23 -7.598 -0.308 -6.273 154 HD2 TYR 23 HD2 TYR 23 -3.557 -0.054 -4.890 155 HE1 TYR 23 HE1 TYR 23 -7.646 -2.775 -5.657 156 HE2 TYR 23 HE2 TYR 23 -3.619 -2.522 -4.279 157 HH TYR 23 HH TYR 23 -5.941 -4.600 -5.410 158 HA PRO 24 HA PRO 24 -7.923 4.799 -8.811 159 1HB PRO 24 1HB PRO 24 -10.568 4.218 -8.445 160 2HB PRO 24 2HB PRO 24 -9.697 3.833 -9.916 161 1HG PRO 24 1HG PRO 24 -10.554 2.022 -7.742 162 2HG PRO 24 2HG PRO 24 -10.077 1.622 -9.380 163 1HD PRO 24 1HD PRO 24 -8.499 1.303 -7.006 164 2HD PRO 24 2HD PRO 24 -7.982 1.012 -8.655 165 H HIS 25 H HIS 25 -10.105 3.622 -6.317 166 HA HIS 25 HA HIS 25 -9.717 6.148 -4.970 167 1HB HIS 25 1HB HIS 25 -11.643 5.549 -3.672 168 2HB HIS 25 2HB HIS 25 -11.982 5.249 -5.365 169 HD1 HIS 25 HD1 HIS 25 -13.751 3.797 -3.432 170 HD2 HIS 25 HD2 HIS 25 -10.084 2.215 -4.716 171 HE1 HIS 25 HE1 HIS 25 -13.894 1.276 -3.069 172 HE2 HIS 25 HE2 HIS 25 -11.634 0.353 -3.926 173 H VAL 26 H VAL 26 -7.522 5.897 -4.239 174 HA VAL 26 HA VAL 26 -7.068 3.702 -2.376 175 HB VAL 26 HB VAL 26 -4.726 4.510 -2.461 176 1HG1 VAL 26 1HG1 VAL 26 -6.057 3.870 -5.113 177 2HG1 VAL 26 2HG1 VAL 26 -4.303 3.803 -4.819 178 3HG1 VAL 26 3HG1 VAL 26 -5.396 2.714 -3.931 179 1HG2 VAL 26 1HG2 VAL 26 -5.623 6.903 -3.190 180 2HG2 VAL 26 2HG2 VAL 26 -4.011 6.322 -3.674 181 3HG2 VAL 26 3HG2 VAL 26 -5.370 6.235 -4.820 182 H THR 27 H THR 27 -6.890 3.978 -0.174 183 HA THR 27 HA THR 27 -6.639 6.666 0.885 184 HB THR 27 HB THR 27 -8.770 6.759 1.883 185 HG1 THR 27 HG1 THR 27 -9.855 4.747 2.387 186 1HG2 THR 27 1HG2 THR 27 -9.178 4.985 -0.581 187 2HG2 THR 27 2HG2 THR 27 -10.502 5.774 0.309 188 3HG2 THR 27 3HG2 THR 27 -9.281 6.761 -0.528 189 HA PRO 28 HA PRO 28 -4.696 4.618 4.121 190 1HB PRO 28 1HB PRO 28 -5.427 5.964 6.384 191 2HB PRO 28 2HB PRO 28 -4.227 6.565 5.258 192 1HG PRO 28 1HG PRO 28 -7.018 7.458 5.642 193 2HG PRO 28 2HG PRO 28 -5.697 8.295 4.852 194 1HD PRO 28 1HD PRO 28 -7.878 6.939 3.575 195 2HD PRO 28 2HD PRO 28 -6.496 7.675 2.787 196 H LYS 29 H LYS 29 -6.980 3.255 3.247 197 HA LYS 29 HA LYS 29 -7.213 1.408 5.297 198 1HB LYS 29 1HB LYS 29 -8.532 3.497 6.214 199 2HB LYS 29 2HB LYS 29 -9.796 2.931 5.140 200 1HG LYS 29 1HG LYS 29 -8.443 0.928 6.956 201 2HG LYS 29 2HG LYS 29 -9.616 2.028 7.651 202 1HD LYS 29 1HD LYS 29 -11.366 1.252 6.151 203 2HD LYS 29 2HD LYS 29 -10.220 0.358 5.173 204 1HE LYS 29 1HE LYS 29 -10.788 -1.442 6.457 205 2HE LYS 29 2HE LYS 29 -9.755 -0.731 7.681 206 1HZ LYS 29 1HZ LYS 29 -12.166 0.560 7.865 207 2HZ LYS 29 2HZ LYS 29 -12.536 -1.022 7.705 208 3HZ LYS 29 3HZ LYS 29 -11.551 -0.532 8.911 209 H GLU 30 H GLU 30 -8.991 3.074 2.623 210 HA GLU 30 HA GLU 30 -10.220 0.703 1.768 211 1HB GLU 30 1HB GLU 30 -11.201 2.864 1.233 212 2HB GLU 30 2HB GLU 30 -9.748 3.385 0.404 213 1HG GLU 30 1HG GLU 30 -10.370 2.360 -1.529 214 2HG GLU 30 2HG GLU 30 -10.704 0.850 -0.706 215 H CYS 31 H CYS 31 -7.228 2.480 0.838 216 HA CYS 31 HA CYS 31 -6.655 0.858 -1.381 217 1HB CYS 31 1HB CYS 31 -5.525 2.828 -1.497 218 2HB CYS 31 2HB CYS 31 -5.221 2.901 0.228 219 H ASN 32 H ASN 32 -6.087 0.669 2.139 220 HA ASN 32 HA ASN 32 -4.304 -1.554 1.802 221 1HB ASN 32 1HB ASN 32 -3.579 -0.858 3.852 222 2HB ASN 32 2HB ASN 32 -4.797 0.403 3.831 223 2HD2 ASN 32 2HD2 ASN 32 -7.067 -0.368 4.352 224 1HD2 ASN 32 1HD2 ASN 32 -7.251 -1.440 5.701 225 H ASN 33 H ASN 33 -7.607 -1.069 1.618 226 HA ASN 33 HA ASN 33 -8.306 -3.426 3.139 227 1HB ASN 33 1HB ASN 33 -9.802 -1.518 3.443 228 2HB ASN 33 2HB ASN 33 -9.949 -1.277 1.713 229 2HD2 ASN 33 2HD2 ASN 33 -11.531 -2.334 4.317 230 1HD2 ASN 33 1HD2 ASN 33 -12.601 -3.517 3.642 231 H ARG 34 H ARG 34 -8.262 -2.009 -0.180 232 HA ARG 34 HA ARG 34 -9.633 -4.012 -1.459 233 1HB ARG 34 1HB ARG 34 -8.555 -1.643 -2.234 234 2HB ARG 34 2HB ARG 34 -7.312 -2.702 -2.870 235 1HG ARG 34 1HG ARG 34 -10.297 -2.983 -3.465 236 2HG ARG 34 2HG ARG 34 -9.141 -2.209 -4.532 237 1HD ARG 34 1HD ARG 34 -7.810 -4.475 -4.378 238 2HD ARG 34 2HD ARG 34 -9.304 -5.144 -3.754 239 HE ARG 34 HE ARG 34 -8.776 -4.356 -6.508 240 1HH1 ARG 34 1HH1 ARG 34 -11.320 -4.731 -4.106 241 2HH1 ARG 34 2HH1 ARG 34 -12.574 -4.947 -5.281 242 1HH2 ARG 34 1HH2 ARG 34 -10.430 -4.641 -8.059 243 2HH2 ARG 34 2HH2 ARG 34 -12.064 -4.895 -7.545 244 H GLY 35 H GLY 35 -6.287 -3.805 -0.284 245 1HA GLY 35 1HA GLY 35 -5.713 -6.438 -1.508 246 2HA GLY 35 2HA GLY 35 -5.352 -6.062 0.165 247 H CYS 36 H CYS 36 -3.873 -4.121 0.578 248 HA CYS 36 HA CYS 36 -1.477 -4.460 -0.639 249 1HB CYS 36 1HB CYS 36 -3.163 -3.119 -2.444 250 2HB CYS 36 2HB CYS 36 -2.106 -1.883 -1.792 251 H CYS 37 H CYS 37 -0.584 -1.648 -0.627 252 HA CYS 37 HA CYS 37 -1.232 -0.968 2.150 253 1HB CYS 37 1HB CYS 37 1.392 -1.235 0.772 254 2HB CYS 37 2HB CYS 37 1.216 0.092 1.903 255 H PHE 38 H PHE 38 -1.272 1.362 2.603 256 HA PHE 38 HA PHE 38 -1.600 2.942 0.149 257 1HB PHE 38 1HB PHE 38 -3.699 2.606 1.428 258 2HB PHE 38 2HB PHE 38 -2.893 2.988 2.936 259 HD1 PHE 38 HD1 PHE 38 -4.154 4.416 -0.220 260 HD2 PHE 38 HD2 PHE 38 -2.615 5.248 3.646 261 HE1 PHE 38 HE1 PHE 38 -4.836 6.819 -0.465 262 HE2 PHE 38 HE2 PHE 38 -3.296 7.651 3.401 263 HZ PHE 38 HZ PHE 38 -4.398 8.408 1.348 264 H ASP 39 H ASP 39 -1.399 5.440 0.726 265 HA ASP 39 HA ASP 39 0.184 6.204 2.842 266 1HB ASP 39 1HB ASP 39 1.985 4.906 1.780 267 2HB ASP 39 2HB ASP 39 1.690 5.684 0.238 268 H SER 40 H SER 40 0.420 8.546 2.785 269 HA SER 40 HA SER 40 -0.434 9.783 0.295 270 1HB SER 40 1HB SER 40 -1.915 11.310 1.487 271 2HB SER 40 2HB SER 40 -2.374 9.662 1.866 272 HG SER 40 HG SER 40 -2.042 11.429 3.662 273 H ARG 41 H ARG 41 2.143 9.309 2.032 274 HA ARG 41 HA ARG 41 2.910 11.670 3.164 275 1HB ARG 41 1HB ARG 41 4.056 9.218 2.874 276 2HB ARG 41 2HB ARG 41 4.981 10.080 1.661 277 1HG ARG 41 1HG ARG 41 4.904 11.815 3.915 278 2HG ARG 41 2HG ARG 41 5.188 10.216 4.574 279 1HD ARG 41 1HD ARG 41 7.222 9.938 3.402 280 2HD ARG 41 2HD ARG 41 6.784 11.087 2.154 281 HE ARG 41 HE ARG 41 6.910 12.470 4.661 282 1HH1 ARG 41 1HH1 ARG 41 9.027 10.925 2.312 283 2HH1 ARG 41 2HH1 ARG 41 10.394 11.916 2.702 284 1HH2 ARG 41 1HH2 ARG 41 8.712 13.778 5.175 285 2HH2 ARG 41 2HH2 ARG 41 10.213 13.550 4.341 286 H ILE 42 H ILE 42 3.463 10.441 -0.214 287 HA ILE 42 HA ILE 42 3.572 13.204 -1.112 288 HB ILE 42 HB ILE 42 5.589 12.113 -2.588 289 1HG1 ILE 42 1HG1 ILE 42 7.184 11.117 -0.976 290 2HG1 ILE 42 2HG1 ILE 42 5.930 11.095 0.248 291 1HG2 ILE 42 1HG2 ILE 42 5.270 14.102 -0.483 292 2HG2 ILE 42 2HG2 ILE 42 6.905 13.399 -0.512 293 3HG2 ILE 42 3HG2 ILE 42 6.234 14.155 -1.978 294 1HD1 ILE 42 1HD1 ILE 42 5.102 9.870 -2.327 295 2HD1 ILE 42 2HD1 ILE 42 6.441 9.029 -1.509 296 3HD1 ILE 42 3HD1 ILE 42 4.893 9.272 -0.663 297 HA PRO 43 HA PRO 43 1.146 11.327 -4.170 298 1HB PRO 43 1HB PRO 43 0.814 13.477 -5.824 299 2HB PRO 43 2HB PRO 43 -0.154 13.215 -4.387 300 1HG PRO 43 1HG PRO 43 2.047 15.141 -4.813 301 2HG PRO 43 2HG PRO 43 0.809 15.146 -3.573 302 1HD PRO 43 1HD PRO 43 3.550 14.360 -3.259 303 2HD PRO 43 2HD PRO 43 2.285 14.256 -2.051 304 H GLY 44 H GLY 44 3.980 13.148 -5.115 305 1HA GLY 44 1HA GLY 44 5.635 12.536 -6.533 306 2HA GLY 44 2HA GLY 44 4.326 12.471 -7.697 307 H VAL 45 H VAL 45 4.429 10.274 -4.890 308 HA VAL 45 HA VAL 45 5.327 8.122 -6.666 309 HB VAL 45 HB VAL 45 6.308 7.138 -4.886 310 1HG1 VAL 45 1HG1 VAL 45 6.139 10.035 -3.998 311 2HG1 VAL 45 2HG1 VAL 45 7.259 8.834 -3.311 312 3HG1 VAL 45 3HG1 VAL 45 7.387 9.291 -5.027 313 1HG2 VAL 45 1HG2 VAL 45 4.110 8.331 -3.181 314 2HG2 VAL 45 2HG2 VAL 45 4.415 6.619 -3.561 315 3HG2 VAL 45 3HG2 VAL 45 5.523 7.502 -2.484 316 HA PRO 46 HA PRO 46 1.488 6.154 -6.360 317 1HB PRO 46 1HB PRO 46 2.048 3.509 -5.963 318 2HB PRO 46 2HB PRO 46 2.185 4.294 -7.524 319 1HG PRO 46 1HG PRO 46 4.334 3.471 -5.669 320 2HG PRO 46 2HG PRO 46 4.444 3.855 -7.375 321 1HD PRO 46 1HD PRO 46 5.235 5.530 -5.185 322 2HD PRO 46 2HD PRO 46 5.237 5.957 -6.885 323 H TRP 47 H TRP 47 0.553 7.249 -4.620 324 HA TRP 47 HA TRP 47 0.950 6.952 -2.032 325 1HB TRP 47 1HB TRP 47 -1.538 7.236 -3.640 326 2HB TRP 47 2HB TRP 47 -1.718 6.883 -1.933 327 HD1 TRP 47 HD1 TRP 47 1.184 9.149 -3.056 328 HE1 TRP 47 HE1 TRP 47 0.850 11.626 -2.211 329 HE3 TRP 47 HE3 TRP 47 -3.546 8.475 -1.316 330 HZ2 TRP 47 HZ2 TRP 47 -1.307 12.996 -0.939 331 HZ3 TRP 47 HZ3 TRP 47 -4.695 10.433 -0.287 332 HH2 TRP 47 HH2 TRP 47 -3.652 12.634 -0.085 333 H CYS 48 H CYS 48 -1.028 4.641 -4.028 334 HA CYS 48 HA CYS 48 -0.937 2.764 -1.819 335 1HB CYS 48 1HB CYS 48 -3.032 3.332 -3.200 336 2HB CYS 48 2HB CYS 48 -2.321 2.345 -4.461 337 H PHE 49 H PHE 49 0.902 1.513 -1.731 338 HA PHE 49 HA PHE 49 1.880 0.452 -4.283 339 1HB PHE 49 1HB PHE 49 4.186 0.655 -3.063 340 2HB PHE 49 2HB PHE 49 3.473 2.156 -3.619 341 HD1 PHE 49 HD1 PHE 49 3.622 -0.017 -0.592 342 HD2 PHE 49 HD2 PHE 49 3.250 3.920 -2.133 343 HE1 PHE 49 HE1 PHE 49 3.749 0.907 1.738 344 HE2 PHE 49 HE2 PHE 49 3.377 4.844 0.198 345 HZ PHE 49 HZ PHE 49 3.625 3.326 2.105 346 H LYS 50 H LYS 50 3.199 -1.578 -4.005 347 HA LYS 50 HA LYS 50 1.807 -3.388 -2.376 348 1HB LYS 50 1HB LYS 50 4.489 -3.768 -3.739 349 2HB LYS 50 2HB LYS 50 3.391 -5.026 -3.208 350 1HG LYS 50 1HG LYS 50 1.625 -3.872 -4.758 351 2HG LYS 50 2HG LYS 50 2.987 -3.020 -5.458 352 1HD LYS 50 1HD LYS 50 2.883 -4.894 -6.854 353 2HD LYS 50 2HD LYS 50 4.060 -5.433 -5.672 354 1HE LYS 50 1HE LYS 50 2.503 -6.838 -4.559 355 2HE LYS 50 2HE LYS 50 1.116 -5.968 -5.185 356 1HZ LYS 50 1HZ LYS 50 1.885 -6.775 -7.423 357 2HZ LYS 50 2HZ LYS 50 2.873 -7.806 -6.631 358 3HZ LYS 50 3HZ LYS 50 1.256 -7.904 -6.424 359 HA PRO 51 HA PRO 51 4.053 -3.312 1.309 360 1HB PRO 51 1HB PRO 51 4.152 -5.928 2.093 361 2HB PRO 51 2HB PRO 51 2.729 -4.923 2.286 362 1HG PRO 51 1HG PRO 51 3.229 -7.068 0.314 363 2HG PRO 51 2HG PRO 51 1.703 -6.358 0.800 364 1HD PRO 51 1HD PRO 51 3.144 -5.837 -1.625 365 2HD PRO 51 2HD PRO 51 1.678 -5.043 -1.086 366 H LEU 52 H LEU 52 6.078 -2.677 1.645 367 HA LEU 52 HA LEU 52 8.156 -3.201 0.095 368 1HB LEU 52 1HB LEU 52 8.335 -1.651 1.865 369 2HB LEU 52 2HB LEU 52 8.048 -2.876 3.085 370 HG LEU 52 HG LEU 52 10.512 -2.753 1.324 371 1HD1 LEU 52 1HD1 LEU 52 10.088 -1.806 4.170 372 2HD1 LEU 52 2HD1 LEU 52 11.675 -1.991 3.387 373 3HD1 LEU 52 3HD1 LEU 52 10.499 -0.817 2.749 374 1HD2 LEU 52 1HD2 LEU 52 9.480 -4.728 3.239 375 2HD2 LEU 52 2HD2 LEU 52 10.698 -4.893 1.951 376 3HD2 LEU 52 3HD2 LEU 52 11.164 -4.230 3.536 377 H GLN 53 H GLN 53 9.351 -4.904 -0.588 378 HA GLN 53 HA GLN 53 8.618 -7.468 0.127 379 1HB GLN 53 1HB GLN 53 10.902 -8.028 -1.039 380 2HB GLN 53 2HB GLN 53 9.619 -7.295 -1.982 381 1HG GLN 53 1HG GLN 53 11.393 -5.342 -0.596 382 2HG GLN 53 2HG GLN 53 12.200 -6.316 -1.809 383 2HE2 GLN 53 2HE2 GLN 53 10.525 -3.545 -1.267 384 1HE2 GLN 53 1HE2 GLN 53 9.939 -3.185 -2.857 385 H GLU 54 H GLU 54 8.668 -7.458 2.499 386 HA GLU 54 HA GLU 54 11.012 -6.930 3.896 387 1HB GLU 54 1HB GLU 54 9.864 -7.932 5.807 388 2HB GLU 54 2HB GLU 54 8.729 -6.954 4.898 389 1HG GLU 54 1HG GLU 54 8.619 -9.555 3.729 390 2HG GLU 54 2HG GLU 54 8.639 -9.813 5.462 391 H ALA 55 H ALA 55 12.612 -8.088 2.513 392 HA ALA 55 HA ALA 55 12.703 -10.940 3.227 393 1HB ALA 55 1HB ALA 55 12.404 -11.139 0.960 394 2HB ALA 55 2HB ALA 55 14.162 -10.864 0.961 395 3HB ALA 55 3HB ALA 55 13.051 -9.516 0.621 396 H GLU 56 H GLU 56 15.011 -11.801 3.246 397 HA GLU 56 HA GLU 56 16.816 -9.663 4.071 398 1HB GLU 56 1HB GLU 56 15.808 -11.913 5.616 399 2HB GLU 56 2HB GLU 56 17.548 -12.042 5.458 400 1HG GLU 56 1HG GLU 56 16.307 -9.375 6.192 401 2HG GLU 56 2HG GLU 56 16.502 -10.605 7.425 402 H CYS 57 H CYS 57 17.267 -9.982 1.611 403 HA CYS 57 HA CYS 57 18.976 -12.312 1.202 404 1HB CYS 57 1HB CYS 57 16.992 -11.327 -0.376 405 2HB CYS 57 2HB CYS 57 18.384 -10.522 -1.073 406 H THR 58 H THR 58 20.991 -11.746 2.056 407 HA THR 58 HA THR 58 22.911 -10.656 2.322 408 HB THR 58 HB THR 58 22.100 -9.708 -0.471 409 HG1 THR 58 HG1 THR 58 23.959 -11.636 0.736 410 1HG2 THR 58 1HG2 THR 58 24.419 -8.948 1.220 411 2HG2 THR 58 2HG2 THR 58 24.890 -9.721 -0.313 412 3HG2 THR 58 3HG2 THR 58 23.879 -8.256 -0.329 413 H PHE 59 H PHE 59 22.552 -9.437 4.137 414 HA PHE 59 HA PHE 59 22.152 -7.649 5.370 415 1HB PHE 59 1HB PHE 59 23.148 -6.535 2.702 416 2HB PHE 59 2HB PHE 59 22.741 -5.422 3.993 417 HD1 PHE 59 HD1 PHE 59 24.581 -8.677 3.841 418 HD2 PHE 59 HD2 PHE 59 24.614 -4.607 5.040 419 HE1 PHE 59 HE1 PHE 59 26.868 -8.986 4.828 420 HE2 PHE 59 HE2 PHE 59 26.900 -4.916 6.028 421 HZ PHE 59 HZ PHE 59 28.000 -7.102 5.910 No H/Q in entry = 421 Start of MODEL 27 1 H GLU 1 H GLU 1 5.859 -17.635 17.016 2 HA GLU 1 HA GLU 1 5.348 -17.408 14.649 3 1HB GLU 1 1HB GLU 1 2.787 -18.633 15.660 4 2HB GLU 1 2HB GLU 1 2.689 -17.497 14.328 5 1HG GLU 1 1HG GLU 1 4.112 -18.841 12.929 6 2HG GLU 1 2HG GLU 1 4.669 -19.808 14.281 7 H GLU 2 H GLU 2 4.398 -15.361 13.850 8 HA GLU 2 HA GLU 2 2.865 -13.759 15.544 9 1HB GLU 2 1HB GLU 2 4.565 -12.017 16.088 10 2HB GLU 2 2HB GLU 2 4.902 -13.544 16.878 11 1HG GLU 2 1HG GLU 2 6.151 -12.898 14.185 12 2HG GLU 2 2HG GLU 2 6.863 -12.282 15.663 13 H TYR 3 H TYR 3 3.035 -11.298 14.645 14 HA TYR 3 HA TYR 3 3.938 -11.045 11.965 15 1HB TYR 3 1HB TYR 3 1.685 -12.519 12.103 16 2HB TYR 3 2HB TYR 3 0.913 -10.979 12.428 17 HD1 TYR 3 HD1 TYR 3 3.650 -11.932 10.039 18 HD2 TYR 3 HD2 TYR 3 -0.295 -10.354 10.544 19 HE1 TYR 3 HE1 TYR 3 3.507 -11.471 7.543 20 HE2 TYR 3 HE2 TYR 3 -0.424 -9.899 8.046 21 HH TYR 3 HH TYR 3 1.877 -11.178 5.860 22 H VAL 4 H VAL 4 3.173 -8.892 11.008 23 HA VAL 4 HA VAL 4 2.307 -7.039 13.094 24 HB VAL 4 HB VAL 4 4.743 -7.022 13.116 25 1HG1 VAL 4 1HG1 VAL 4 4.386 -6.873 10.171 26 2HG1 VAL 4 2HG1 VAL 4 5.683 -5.865 10.857 27 3HG1 VAL 4 3HG1 VAL 4 5.678 -7.623 11.137 28 1HG2 VAL 4 1HG2 VAL 4 3.489 -4.552 11.872 29 2HG2 VAL 4 2HG2 VAL 4 3.619 -4.936 13.605 30 3HG2 VAL 4 3HG2 VAL 4 5.086 -4.595 12.657 31 H GLY 5 H GLY 5 0.960 -5.414 12.336 32 1HA GLY 5 1HA GLY 5 -0.454 -5.781 10.003 33 2HA GLY 5 2HA GLY 5 0.847 -4.687 9.579 34 H LEU 6 H LEU 6 1.012 -3.532 12.365 35 HA LEU 6 HA LEU 6 -1.408 -1.882 12.174 36 1HB LEU 6 1HB LEU 6 -0.922 -1.690 14.774 37 2HB LEU 6 2HB LEU 6 -1.989 -2.896 14.083 38 HG LEU 6 HG LEU 6 -0.369 -3.692 15.857 39 1HD1 LEU 6 1HD1 LEU 6 -0.922 -4.927 13.231 40 2HD1 LEU 6 2HD1 LEU 6 0.398 -5.669 14.167 41 3HD1 LEU 6 3HD1 LEU 6 -1.227 -5.527 14.879 42 1HD2 LEU 6 1HD2 LEU 6 1.520 -2.389 14.274 43 2HD2 LEU 6 2HD2 LEU 6 1.834 -3.460 15.660 44 3HD2 LEU 6 3HD2 LEU 6 1.828 -4.121 14.008 45 H SER 7 H SER 7 0.909 -1.304 10.731 46 HA SER 7 HA SER 7 1.391 1.256 11.455 47 1HB SER 7 1HB SER 7 3.835 1.051 12.255 48 2HB SER 7 2HB SER 7 2.583 0.697 13.429 49 HG SER 7 HG SER 7 2.921 -1.650 12.494 50 H ALA 8 H ALA 8 3.901 1.847 10.476 51 HA ALA 8 HA ALA 8 3.661 1.469 7.769 52 1HB ALA 8 1HB ALA 8 5.055 3.216 8.387 53 2HB ALA 8 2HB ALA 8 5.874 2.261 9.646 54 3HB ALA 8 3HB ALA 8 6.259 1.987 7.930 55 H ASN 9 H ASN 9 6.777 0.325 8.924 56 HA ASN 9 HA ASN 9 7.906 -1.468 8.430 57 1HB ASN 9 1HB ASN 9 5.294 -2.598 9.482 58 2HB ASN 9 2HB ASN 9 6.506 -3.714 8.885 59 2HD2 ASN 9 2HD2 ASN 9 5.386 -2.973 11.602 60 1HD2 ASN 9 1HD2 ASN 9 6.766 -2.726 12.618 61 H GLN 10 H GLN 10 4.891 -3.224 7.615 62 HA GLN 10 HA GLN 10 5.763 -4.216 5.264 63 1HB GLN 10 1HB GLN 10 3.510 -4.507 6.739 64 2HB GLN 10 2HB GLN 10 2.845 -3.538 5.440 65 1HG GLN 10 1HG GLN 10 3.986 -5.211 3.814 66 2HG GLN 10 2HG GLN 10 4.244 -6.234 5.214 67 2HE2 GLN 10 2HE2 GLN 10 2.091 -6.092 6.705 68 1HE2 GLN 10 1HE2 GLN 10 0.652 -6.590 5.879 69 H CYS 11 H CYS 11 4.152 -1.069 5.893 70 HA CYS 11 HA CYS 11 4.554 -0.433 3.061 71 1HB CYS 11 1HB CYS 11 2.775 1.302 4.653 72 2HB CYS 11 2HB CYS 11 2.633 0.744 2.998 73 H ALA 12 H ALA 12 6.814 -0.359 4.624 74 HA ALA 12 HA ALA 12 7.063 2.468 5.393 75 1HB ALA 12 1HB ALA 12 9.204 0.690 6.284 76 2HB ALA 12 2HB ALA 12 7.608 0.129 6.839 77 3HB ALA 12 3HB ALA 12 8.160 1.775 7.234 78 H VAL 13 H VAL 13 7.076 2.005 2.686 79 HA VAL 13 HA VAL 13 9.806 1.529 1.860 80 HB VAL 13 HB VAL 13 7.791 2.522 -0.057 81 1HG1 VAL 13 1HG1 VAL 13 10.068 0.643 0.054 82 2HG1 VAL 13 2HG1 VAL 13 8.715 0.122 -0.979 83 3HG1 VAL 13 3HG1 VAL 13 9.504 1.691 -1.270 84 1HG2 VAL 13 1HG2 VAL 13 7.318 0.110 1.663 85 2HG2 VAL 13 2HG2 VAL 13 6.160 1.299 1.021 86 3HG2 VAL 13 3HG2 VAL 13 6.848 0.058 -0.053 87 HA PRO 14 HA PRO 14 10.879 5.717 1.805 88 1HB PRO 14 1HB PRO 14 12.978 5.689 0.056 89 2HB PRO 14 2HB PRO 14 13.124 5.212 1.735 90 1HG PRO 14 1HG PRO 14 13.051 3.504 -0.676 91 2HG PRO 14 2HG PRO 14 13.613 3.104 0.935 92 1HD PRO 14 1HD PRO 14 11.123 2.326 -0.257 93 2HD PRO 14 2HD PRO 14 11.635 2.026 1.392 94 H ALA 15 H ALA 15 9.226 4.293 -0.574 95 HA ALA 15 HA ALA 15 7.808 5.320 -2.000 96 1HB ALA 15 1HB ALA 15 9.419 7.843 -2.176 97 2HB ALA 15 2HB ALA 15 7.654 7.615 -2.178 98 3HB ALA 15 3HB ALA 15 8.564 7.503 -0.652 99 H LYS 16 H LYS 16 11.263 5.066 -2.167 100 HA LYS 16 HA LYS 16 11.242 5.309 -5.071 101 1HB LYS 16 1HB LYS 16 13.693 5.186 -4.861 102 2HB LYS 16 2HB LYS 16 13.007 6.498 -3.924 103 1HG LYS 16 1HG LYS 16 14.672 5.362 -2.550 104 2HG LYS 16 2HG LYS 16 13.088 5.051 -1.868 105 1HD LYS 16 1HD LYS 16 13.062 2.805 -2.577 106 2HD LYS 16 2HD LYS 16 14.178 3.096 -3.897 107 1HE LYS 16 1HE LYS 16 16.073 3.240 -2.402 108 2HE LYS 16 2HE LYS 16 15.045 3.362 -0.988 109 1HZ LYS 16 1HZ LYS 16 14.206 1.080 -1.887 110 2HZ LYS 16 2HZ LYS 16 15.688 1.028 -2.572 111 3HZ LYS 16 3HZ LYS 16 15.542 1.177 -0.952 112 H ASP 17 H ASP 17 10.125 3.067 -3.086 113 HA ASP 17 HA ASP 17 11.231 0.935 -4.726 114 1HB ASP 17 1HB ASP 17 11.423 1.250 -1.845 115 2HB ASP 17 2HB ASP 17 10.424 -0.148 -2.190 116 H ARG 18 H ARG 18 8.678 2.756 -4.479 117 HA ARG 18 HA ARG 18 6.648 0.999 -3.631 118 1HB ARG 18 1HB ARG 18 6.318 3.439 -5.439 119 2HB ARG 18 2HB ARG 18 5.114 2.746 -4.370 120 1HG ARG 18 1HG ARG 18 7.735 4.035 -3.467 121 2HG ARG 18 2HG ARG 18 6.160 4.802 -3.403 122 1HD ARG 18 1HD ARG 18 5.441 2.699 -1.985 123 2HD ARG 18 2HD ARG 18 7.162 2.431 -1.786 124 HE ARG 18 HE ARG 18 7.166 4.161 -0.230 125 1HH1 ARG 18 1HH1 ARG 18 4.521 4.710 -2.485 126 2HH1 ARG 18 2HH1 ARG 18 3.956 6.133 -1.674 127 1HH2 ARG 18 1HH2 ARG 18 6.421 6.038 0.840 128 2HH2 ARG 18 2HH2 ARG 18 5.044 6.893 0.230 129 H VAL 19 H VAL 19 5.715 -0.655 -4.802 130 HA VAL 19 HA VAL 19 6.463 -0.915 -7.586 131 HB VAL 19 HB VAL 19 4.886 -2.726 -5.746 132 1HG1 VAL 19 1HG1 VAL 19 4.426 -3.150 -8.119 133 2HG1 VAL 19 2HG1 VAL 19 6.171 -3.286 -8.441 134 3HG1 VAL 19 3HG1 VAL 19 5.363 -4.480 -7.398 135 1HG2 VAL 19 1HG2 VAL 19 7.418 -2.111 -5.277 136 2HG2 VAL 19 2HG2 VAL 19 6.832 -3.784 -5.120 137 3HG2 VAL 19 3HG2 VAL 19 7.709 -3.282 -6.585 138 H ASP 20 H ASP 20 4.024 0.615 -5.792 139 HA ASP 20 HA ASP 20 2.078 1.440 -6.272 140 1HB ASP 20 1HB ASP 20 3.021 2.575 -8.141 141 2HB ASP 20 2HB ASP 20 3.227 1.095 -9.055 142 H CYS 21 H CYS 21 0.362 0.093 -5.676 143 HA CYS 21 HA CYS 21 0.033 -2.458 -6.873 144 1HB CYS 21 1HB CYS 21 -0.605 -1.480 -4.471 145 2HB CYS 21 2HB CYS 21 -2.145 -1.216 -5.264 146 H GLY 22 H GLY 22 -0.937 0.818 -7.573 147 1HA GLY 22 1HA GLY 22 -2.221 0.083 -9.989 148 2HA GLY 22 2HA GLY 22 -2.126 1.682 -9.279 149 H TYR 23 H TYR 23 -3.771 2.408 -7.778 150 HA TYR 23 HA TYR 23 -6.258 0.898 -8.096 151 1HB TYR 23 1HB TYR 23 -4.701 1.748 -5.633 152 2HB TYR 23 2HB TYR 23 -6.441 1.932 -5.543 153 HD1 TYR 23 HD1 TYR 23 -7.762 -0.275 -6.458 154 HD2 TYR 23 HD2 TYR 23 -3.824 -0.220 -4.787 155 HE1 TYR 23 HE1 TYR 23 -7.984 -2.730 -5.838 156 HE2 TYR 23 HE2 TYR 23 -4.059 -2.676 -4.172 157 HH TYR 23 HH TYR 23 -6.137 -4.668 -5.479 158 HA PRO 24 HA PRO 24 -7.809 4.865 -8.874 159 1HB PRO 24 1HB PRO 24 -10.491 4.417 -8.600 160 2HB PRO 24 2HB PRO 24 -9.594 4.010 -10.050 161 1HG PRO 24 1HG PRO 24 -10.613 2.213 -7.935 162 2HG PRO 24 2HG PRO 24 -10.105 1.814 -9.563 163 1HD PRO 24 1HD PRO 24 -8.622 1.376 -7.147 164 2HD PRO 24 2HD PRO 24 -8.068 1.084 -8.784 165 H HIS 25 H HIS 25 -9.999 3.659 -6.384 166 HA HIS 25 HA HIS 25 -9.612 6.185 -5.022 167 1HB HIS 25 1HB HIS 25 -11.556 5.607 -3.750 168 2HB HIS 25 2HB HIS 25 -11.887 5.308 -5.444 169 HD1 HIS 25 HD1 HIS 25 -13.641 3.889 -3.422 170 HD2 HIS 25 HD2 HIS 25 -10.068 2.244 -4.878 171 HE1 HIS 25 HE1 HIS 25 -13.824 1.367 -3.082 172 HE2 HIS 25 HE2 HIS 25 -11.623 0.406 -4.046 173 H VAL 26 H VAL 26 -7.438 5.917 -4.262 174 HA VAL 26 HA VAL 26 -7.034 3.696 -2.410 175 HB VAL 26 HB VAL 26 -4.666 4.447 -2.501 176 1HG1 VAL 26 1HG1 VAL 26 -5.470 2.643 -3.946 177 2HG1 VAL 26 2HG1 VAL 26 -5.959 3.829 -5.179 178 3HG1 VAL 26 3HG1 VAL 26 -4.237 3.618 -4.782 179 1HG2 VAL 26 1HG2 VAL 26 -5.644 6.828 -3.421 180 2HG2 VAL 26 2HG2 VAL 26 -3.953 6.295 -3.584 181 3HG2 VAL 26 3HG2 VAL 26 -5.092 6.069 -4.933 182 H THR 27 H THR 27 -6.902 3.979 -0.214 183 HA THR 27 HA THR 27 -6.540 6.664 0.831 184 HB THR 27 HB THR 27 -8.668 6.827 1.841 185 HG1 THR 27 HG1 THR 27 -9.847 4.844 2.281 186 1HG2 THR 27 1HG2 THR 27 -9.142 5.104 -0.649 187 2HG2 THR 27 2HG2 THR 27 -10.427 5.959 0.238 188 3HG2 THR 27 3HG2 THR 27 -9.146 6.883 -0.583 189 HA PRO 28 HA PRO 28 -4.682 4.567 4.085 190 1HB PRO 28 1HB PRO 28 -5.365 5.959 6.335 191 2HB PRO 28 2HB PRO 28 -4.139 6.503 5.207 192 1HG PRO 28 1HG PRO 28 -6.894 7.509 5.577 193 2HG PRO 28 2HG PRO 28 -5.540 8.286 4.783 194 1HD PRO 28 1HD PRO 28 -7.770 7.006 3.512 195 2HD PRO 28 2HD PRO 28 -6.359 7.681 2.722 196 H LYS 29 H LYS 29 -7.062 3.326 3.219 197 HA LYS 29 HA LYS 29 -7.358 1.496 5.289 198 1HB LYS 29 1HB LYS 29 -8.586 3.622 6.200 199 2HB LYS 29 2HB LYS 29 -9.859 3.155 5.091 200 1HG LYS 29 1HG LYS 29 -9.015 0.767 6.451 201 2HG LYS 29 2HG LYS 29 -9.202 2.011 7.671 202 1HD LYS 29 1HD LYS 29 -11.378 1.892 5.623 203 2HD LYS 29 2HD LYS 29 -11.277 0.505 6.688 204 1HE LYS 29 1HE LYS 29 -11.653 1.809 8.642 205 2HE LYS 29 2HE LYS 29 -11.177 3.302 7.858 206 1HZ LYS 29 1HZ LYS 29 -13.488 1.842 6.854 207 2HZ LYS 29 2HZ LYS 29 -13.645 2.773 8.187 208 3HZ LYS 29 3HZ LYS 29 -13.168 3.441 6.775 209 H GLU 30 H GLU 30 -8.918 3.193 2.518 210 HA GLU 30 HA GLU 30 -10.265 0.846 1.699 211 1HB GLU 30 1HB GLU 30 -11.178 3.049 1.165 212 2HB GLU 30 2HB GLU 30 -9.722 3.499 0.301 213 1HG GLU 30 1HG GLU 30 -10.411 2.454 -1.600 214 2HG GLU 30 2HG GLU 30 -10.797 0.979 -0.737 215 H CYS 31 H CYS 31 -7.194 2.508 0.865 216 HA CYS 31 HA CYS 31 -6.652 0.878 -1.374 217 1HB CYS 31 1HB CYS 31 -5.505 2.849 -1.479 218 2HB CYS 31 2HB CYS 31 -5.169 2.890 0.241 219 H ASN 32 H ASN 32 -6.008 0.769 2.153 220 HA ASN 32 HA ASN 32 -4.277 -1.481 1.869 221 1HB ASN 32 1HB ASN 32 -3.717 -1.031 4.060 222 2HB ASN 32 2HB ASN 32 -4.568 0.477 3.793 223 2HD2 ASN 32 2HD2 ASN 32 -4.269 -2.081 5.797 224 1HD2 ASN 32 1HD2 ASN 32 -5.816 -2.098 6.576 225 H ASN 33 H ASN 33 -7.592 -0.989 1.636 226 HA ASN 33 HA ASN 33 -8.287 -3.402 3.075 227 1HB ASN 33 1HB ASN 33 -9.809 -1.567 3.506 228 2HB ASN 33 2HB ASN 33 -9.906 -1.146 1.807 229 2HD2 ASN 33 2HD2 ASN 33 -11.787 -1.599 0.980 230 1HD2 ASN 33 1HD2 ASN 33 -12.774 -2.987 1.294 231 H ARG 34 H ARG 34 -8.258 -1.836 -0.174 232 HA ARG 34 HA ARG 34 -9.660 -3.727 -1.556 233 1HB ARG 34 1HB ARG 34 -8.412 -1.383 -2.201 234 2HB ARG 34 2HB ARG 34 -7.267 -2.505 -2.908 235 1HG ARG 34 1HG ARG 34 -9.086 -1.769 -4.503 236 2HG ARG 34 2HG ARG 34 -8.975 -3.508 -4.314 237 1HD ARG 34 1HD ARG 34 -10.801 -2.191 -2.363 238 2HD ARG 34 2HD ARG 34 -11.307 -2.034 -4.033 239 HE ARG 34 HE ARG 34 -10.503 -4.758 -3.459 240 1HH1 ARG 34 1HH1 ARG 34 -13.141 -2.473 -3.015 241 2HH1 ARG 34 2HH1 ARG 34 -14.355 -3.702 -2.895 242 1HH2 ARG 34 1HH2 ARG 34 -12.104 -6.381 -3.300 243 2HH2 ARG 34 2HH2 ARG 34 -13.762 -5.940 -3.058 244 H GLY 35 H GLY 35 -6.349 -3.752 -0.289 245 1HA GLY 35 1HA GLY 35 -5.880 -6.355 -1.619 246 2HA GLY 35 2HA GLY 35 -5.522 -6.056 0.070 247 H CYS 36 H CYS 36 -3.992 -4.131 0.536 248 HA CYS 36 HA CYS 36 -1.575 -4.567 -0.598 249 1HB CYS 36 1HB CYS 36 -3.159 -3.174 -2.470 250 2HB CYS 36 2HB CYS 36 -2.045 -1.992 -1.812 251 H CYS 37 H CYS 37 -0.571 -1.798 -0.594 252 HA CYS 37 HA CYS 37 -1.255 -1.077 2.164 253 1HB CYS 37 1HB CYS 37 1.359 -1.408 0.804 254 2HB CYS 37 2HB CYS 37 1.211 -0.019 1.862 255 H PHE 38 H PHE 38 -1.194 1.277 2.614 256 HA PHE 38 HA PHE 38 -1.544 2.845 0.155 257 1HB PHE 38 1HB PHE 38 -3.652 2.533 1.418 258 2HB PHE 38 2HB PHE 38 -2.852 2.896 2.934 259 HD1 PHE 38 HD1 PHE 38 -4.066 4.362 -0.224 260 HD2 PHE 38 HD2 PHE 38 -2.563 5.144 3.666 261 HE1 PHE 38 HE1 PHE 38 -4.719 6.775 -0.457 262 HE2 PHE 38 HE2 PHE 38 -3.216 7.557 3.434 263 HZ PHE 38 HZ PHE 38 -4.286 8.343 1.375 264 H ASP 39 H ASP 39 -1.321 5.340 0.720 265 HA ASP 39 HA ASP 39 0.288 6.069 2.847 266 1HB ASP 39 1HB ASP 39 2.088 4.834 1.755 267 2HB ASP 39 2HB ASP 39 1.721 5.561 0.204 268 H SER 40 H SER 40 0.524 8.414 2.834 269 HA SER 40 HA SER 40 -0.375 9.710 0.394 270 1HB SER 40 1HB SER 40 -1.843 11.211 1.667 271 2HB SER 40 2HB SER 40 -2.322 9.545 1.926 272 HG SER 40 HG SER 40 -1.459 11.419 3.760 273 H ARG 41 H ARG 41 2.204 9.213 2.136 274 HA ARG 41 HA ARG 41 2.940 11.571 3.308 275 1HB ARG 41 1HB ARG 41 4.102 9.127 3.017 276 2HB ARG 41 2HB ARG 41 5.040 10.002 1.823 277 1HG ARG 41 1HG ARG 41 5.626 11.723 3.547 278 2HG ARG 41 2HG ARG 41 4.693 10.842 4.741 279 1HD ARG 41 1HD ARG 41 6.198 8.805 4.236 280 2HD ARG 41 2HD ARG 41 7.213 9.889 3.307 281 HE ARG 41 HE ARG 41 6.849 11.148 5.800 282 1HH1 ARG 41 1HH1 ARG 41 8.220 8.128 4.624 283 2HH1 ARG 41 2HH1 ARG 41 9.365 7.996 5.917 284 1HH2 ARG 41 1HH2 ARG 41 8.360 10.974 7.506 285 2HH2 ARG 41 2HH2 ARG 41 9.445 9.626 7.567 286 H ILE 42 H ILE 42 3.478 10.380 -0.081 287 HA ILE 42 HA ILE 42 3.622 13.148 -0.947 288 HB ILE 42 HB ILE 42 5.636 12.047 -2.429 289 1HG1 ILE 42 1HG1 ILE 42 7.223 11.049 -0.808 290 2HG1 ILE 42 2HG1 ILE 42 5.964 11.033 0.411 291 1HG2 ILE 42 1HG2 ILE 42 5.308 14.287 -1.089 292 2HG2 ILE 42 2HG2 ILE 42 6.321 13.461 0.119 293 3HG2 ILE 42 3HG2 ILE 42 6.933 13.713 -1.534 294 1HD1 ILE 42 1HD1 ILE 42 5.117 9.810 -2.151 295 2HD1 ILE 42 2HD1 ILE 42 6.478 8.972 -1.367 296 3HD1 ILE 42 3HD1 ILE 42 4.947 9.199 -0.488 297 HA PRO 43 HA PRO 43 1.197 11.325 -4.037 298 1HB PRO 43 1HB PRO 43 0.906 13.488 -5.682 299 2HB PRO 43 2HB PRO 43 -0.074 13.232 -4.253 300 1HG PRO 43 1HG PRO 43 2.157 15.129 -4.655 301 2HG PRO 43 2HG PRO 43 0.911 15.145 -3.423 302 1HD PRO 43 1HD PRO 43 3.639 14.319 -3.095 303 2HD PRO 43 2HD PRO 43 2.364 14.226 -1.896 304 H GLY 44 H GLY 44 4.084 13.081 -4.927 305 1HA GLY 44 1HA GLY 44 5.752 12.391 -6.306 306 2HA GLY 44 2HA GLY 44 4.475 12.489 -7.502 307 H VAL 45 H VAL 45 4.798 10.153 -4.757 308 HA VAL 45 HA VAL 45 5.390 8.045 -6.679 309 HB VAL 45 HB VAL 45 6.312 6.890 -4.953 310 1HG1 VAL 45 1HG1 VAL 45 7.056 9.491 -5.091 311 2HG1 VAL 45 2HG1 VAL 45 6.596 9.388 -3.375 312 3HG1 VAL 45 3HG1 VAL 45 7.837 8.293 -4.031 313 1HG2 VAL 45 1HG2 VAL 45 4.345 8.271 -3.104 314 2HG2 VAL 45 2HG2 VAL 45 4.375 6.559 -3.590 315 3HG2 VAL 45 3HG2 VAL 45 5.655 7.207 -2.536 316 HA PRO 46 HA PRO 46 1.460 6.263 -6.392 317 1HB PRO 46 1HB PRO 46 1.892 3.574 -6.162 318 2HB PRO 46 2HB PRO 46 2.034 4.442 -7.678 319 1HG PRO 46 1HG PRO 46 4.179 3.406 -5.928 320 2HG PRO 46 2HG PRO 46 4.270 3.883 -7.612 321 1HD PRO 46 1HD PRO 46 5.196 5.385 -5.351 322 2HD PRO 46 2HD PRO 46 5.180 5.910 -7.022 323 H TRP 47 H TRP 47 0.606 7.290 -4.576 324 HA TRP 47 HA TRP 47 1.023 6.886 -2.026 325 1HB TRP 47 1HB TRP 47 -1.510 7.188 -3.564 326 2HB TRP 47 2HB TRP 47 -1.634 6.800 -1.859 327 HD1 TRP 47 HD1 TRP 47 1.237 9.096 -2.965 328 HE1 TRP 47 HE1 TRP 47 0.898 11.560 -2.082 329 HE3 TRP 47 HE3 TRP 47 -3.492 8.387 -1.237 330 HZ2 TRP 47 HZ2 TRP 47 -1.262 12.905 -0.789 331 HZ3 TRP 47 HZ3 TRP 47 -4.645 10.327 -0.178 332 HH2 TRP 47 HH2 TRP 47 -3.606 12.526 0.059 333 H CYS 48 H CYS 48 -1.089 4.657 -3.986 334 HA CYS 48 HA CYS 48 -0.911 2.704 -1.865 335 1HB CYS 48 1HB CYS 48 -3.014 3.311 -3.240 336 2HB CYS 48 2HB CYS 48 -2.310 2.320 -4.502 337 H PHE 49 H PHE 49 0.746 1.226 -1.845 338 HA PHE 49 HA PHE 49 1.743 0.286 -4.418 339 1HB PHE 49 1HB PHE 49 4.090 0.508 -3.294 340 2HB PHE 49 2HB PHE 49 3.345 2.009 -3.809 341 HD1 PHE 49 HD1 PHE 49 3.703 -0.180 -0.816 342 HD2 PHE 49 HD2 PHE 49 3.102 3.754 -2.292 343 HE1 PHE 49 HE1 PHE 49 3.921 0.728 1.514 344 HE2 PHE 49 HE2 PHE 49 3.320 4.661 0.039 345 HZ PHE 49 HZ PHE 49 3.726 3.137 1.913 346 H LYS 50 H LYS 50 3.230 -1.685 -4.088 347 HA LYS 50 HA LYS 50 1.851 -3.530 -2.461 348 1HB LYS 50 1HB LYS 50 4.541 -3.882 -3.811 349 2HB LYS 50 2HB LYS 50 3.432 -5.142 -3.310 350 1HG LYS 50 1HG LYS 50 1.702 -4.186 -4.899 351 2HG LYS 50 2HG LYS 50 2.898 -3.030 -5.452 352 1HD LYS 50 1HD LYS 50 3.276 -4.676 -7.032 353 2HD LYS 50 2HD LYS 50 4.372 -5.261 -5.797 354 1HE LYS 50 1HE LYS 50 2.904 -6.981 -5.107 355 2HE LYS 50 2HE LYS 50 1.483 -6.159 -5.722 356 1HZ LYS 50 1HZ LYS 50 3.606 -7.284 -7.413 357 2HZ LYS 50 2HZ LYS 50 2.176 -8.011 -7.106 358 3HZ LYS 50 3HZ LYS 50 2.216 -6.607 -7.939 359 HA PRO 51 HA PRO 51 4.117 -3.366 1.208 360 1HB PRO 51 1HB PRO 51 4.264 -5.971 2.022 361 2HB PRO 51 2HB PRO 51 2.827 -4.987 2.213 362 1HG PRO 51 1HG PRO 51 3.348 -7.147 0.263 363 2HG PRO 51 2HG PRO 51 1.814 -6.455 0.751 364 1HD PRO 51 1HD PRO 51 3.229 -5.940 -1.690 365 2HD PRO 51 2HD PRO 51 1.755 -5.163 -1.149 366 H LEU 52 H LEU 52 6.137 -2.750 1.615 367 HA LEU 52 HA LEU 52 8.221 -3.192 0.048 368 1HB LEU 52 1HB LEU 52 8.482 -1.710 1.816 369 2HB LEU 52 2HB LEU 52 8.034 -2.898 3.024 370 HG LEU 52 HG LEU 52 10.588 -3.086 1.413 371 1HD1 LEU 52 1HD1 LEU 52 9.930 -1.390 3.750 372 2HD1 LEU 52 2HD1 LEU 52 11.452 -2.308 3.848 373 3HD1 LEU 52 3HD1 LEU 52 11.172 -1.192 2.489 374 1HD2 LEU 52 1HD2 LEU 52 9.276 -4.846 3.232 375 2HD2 LEU 52 2HD2 LEU 52 10.842 -5.048 2.410 376 3HD2 LEU 52 3HD2 LEU 52 10.768 -4.255 4.003 377 H GLN 53 H GLN 53 9.650 -4.789 -0.536 378 HA GLN 53 HA GLN 53 8.876 -7.417 0.007 379 1HB GLN 53 1HB GLN 53 11.008 -7.993 -1.235 380 2HB GLN 53 2HB GLN 53 9.932 -6.914 -2.099 381 1HG GLN 53 1HG GLN 53 11.752 -5.372 -0.411 382 2HG GLN 53 2HG GLN 53 12.663 -6.459 -1.439 383 2HE2 GLN 53 2HE2 GLN 53 11.135 -3.512 -1.211 384 1HE2 GLN 53 1HE2 GLN 53 11.023 -3.079 -2.885 385 H GLU 54 H GLU 54 8.901 -7.114 2.469 386 HA GLU 54 HA GLU 54 10.989 -6.625 4.012 387 1HB GLU 54 1HB GLU 54 9.907 -7.846 5.710 388 2HB GLU 54 2HB GLU 54 8.601 -7.482 4.600 389 1HG GLU 54 1HG GLU 54 9.125 -9.777 3.489 390 2HG GLU 54 2HG GLU 54 10.105 -10.112 4.903 391 H ALA 55 H ALA 55 13.065 -7.342 4.230 392 HA ALA 55 HA ALA 55 13.774 -10.037 4.228 393 1HB ALA 55 1HB ALA 55 13.317 -10.055 1.854 394 2HB ALA 55 2HB ALA 55 15.084 -10.058 2.070 395 3HB ALA 55 3HB ALA 55 14.246 -8.556 1.612 396 H GLU 56 H GLU 56 14.252 -8.118 6.049 397 HA GLU 56 HA GLU 56 17.013 -8.101 6.195 398 1HB GLU 56 1HB GLU 56 16.126 -6.048 4.521 399 2HB GLU 56 2HB GLU 56 16.318 -5.235 6.062 400 1HG GLU 56 1HG GLU 56 18.640 -6.464 6.176 401 2HG GLU 56 2HG GLU 56 18.415 -6.741 4.461 402 H CYS 57 H CYS 57 14.508 -5.601 7.052 403 HA CYS 57 HA CYS 57 15.298 -5.812 9.804 404 1HB CYS 57 1HB CYS 57 13.717 -3.958 8.151 405 2HB CYS 57 2HB CYS 57 13.100 -4.180 9.776 406 H THR 58 H THR 58 14.652 -7.880 10.548 407 HA THR 58 HA THR 58 11.786 -8.492 10.261 408 HB THR 58 HB THR 58 14.305 -10.191 10.547 409 HG1 THR 58 HG1 THR 58 13.677 -9.759 8.396 410 1HG2 THR 58 1HG2 THR 58 11.439 -10.838 11.220 411 2HG2 THR 58 2HG2 THR 58 12.328 -12.025 10.235 412 3HG2 THR 58 3HG2 THR 58 12.937 -11.571 11.845 413 H PHE 59 H PHE 59 14.509 -8.972 12.618 414 HA PHE 59 HA PHE 59 12.754 -7.947 14.684 415 1HB PHE 59 1HB PHE 59 12.251 -10.326 14.784 416 2HB PHE 59 2HB PHE 59 13.907 -10.768 14.418 417 HD1 PHE 59 HD1 PHE 59 15.647 -10.610 16.168 418 HD2 PHE 59 HD2 PHE 59 11.560 -9.863 17.033 419 HE1 PHE 59 HE1 PHE 59 16.117 -10.874 18.619 420 HE2 PHE 59 HE2 PHE 59 12.030 -10.127 19.484 421 HZ PHE 59 HZ PHE 59 14.303 -10.630 20.248 No H/Q in entry = 421 Start of MODEL 28 1 H GLU 1 H GLU 1 12.213 -17.013 17.845 2 HA GLU 1 HA GLU 1 10.114 -16.464 17.699 3 1HB GLU 1 1HB GLU 1 11.498 -14.045 18.624 4 2HB GLU 1 2HB GLU 1 9.985 -13.655 17.831 5 1HG GLU 1 1HG GLU 1 8.715 -15.056 19.332 6 2HG GLU 1 2HG GLU 1 10.157 -15.844 19.941 7 H GLU 2 H GLU 2 8.491 -16.070 16.149 8 HA GLU 2 HA GLU 2 9.491 -15.471 13.562 9 1HB GLU 2 1HB GLU 2 7.227 -16.033 12.800 10 2HB GLU 2 2HB GLU 2 7.781 -17.229 13.956 11 1HG GLU 2 1HG GLU 2 6.480 -16.175 15.758 12 2HG GLU 2 2HG GLU 2 6.039 -14.838 14.715 13 H TYR 3 H TYR 3 7.846 -13.987 12.131 14 HA TYR 3 HA TYR 3 7.359 -11.533 13.672 15 1HB TYR 3 1HB TYR 3 9.394 -11.109 12.445 16 2HB TYR 3 2HB TYR 3 8.918 -12.162 11.128 17 HD1 TYR 3 HD1 TYR 3 8.424 -8.811 12.625 18 HD2 TYR 3 HD2 TYR 3 7.652 -11.333 9.256 19 HE1 TYR 3 HE1 TYR 3 7.644 -6.796 11.286 20 HE2 TYR 3 HE2 TYR 3 6.875 -9.308 7.929 21 HH TYR 3 HH TYR 3 7.269 -6.881 7.956 22 H VAL 4 H VAL 4 5.841 -10.009 12.544 23 HA VAL 4 HA VAL 4 4.372 -10.701 10.317 24 HB VAL 4 HB VAL 4 3.536 -12.629 11.350 25 1HG1 VAL 4 1HG1 VAL 4 3.398 -10.937 13.832 26 2HG1 VAL 4 2HG1 VAL 4 2.337 -12.356 13.669 27 3HG1 VAL 4 3HG1 VAL 4 4.104 -12.554 13.595 28 1HG2 VAL 4 1HG2 VAL 4 1.594 -10.323 11.539 29 2HG2 VAL 4 2HG2 VAL 4 1.728 -11.577 10.282 30 3HG2 VAL 4 3HG2 VAL 4 1.097 -11.995 11.894 31 H GLY 5 H GLY 5 3.987 -8.630 9.728 32 1HA GLY 5 1HA GLY 5 4.079 -6.354 11.033 33 2HA GLY 5 2HA GLY 5 2.527 -6.927 11.609 34 H LEU 6 H LEU 6 0.707 -6.634 10.348 35 HA LEU 6 HA LEU 6 1.165 -5.979 7.529 36 1HB LEU 6 1HB LEU 6 -1.504 -6.352 7.733 37 2HB LEU 6 2HB LEU 6 -0.345 -7.583 7.274 38 HG LEU 6 HG LEU 6 -1.959 -8.402 8.923 39 1HD1 LEU 6 1HD1 LEU 6 0.830 -8.692 9.003 40 2HD1 LEU 6 2HD1 LEU 6 0.317 -8.520 10.699 41 3HD1 LEU 6 3HD1 LEU 6 -0.400 -9.789 9.677 42 1HD2 LEU 6 1HD2 LEU 6 -1.274 -5.911 10.282 43 2HD2 LEU 6 2HD2 LEU 6 -2.697 -6.965 10.459 44 3HD2 LEU 6 3HD2 LEU 6 -1.205 -7.327 11.359 45 H SER 7 H SER 7 1.987 -3.887 8.826 46 HA SER 7 HA SER 7 0.221 -1.899 8.148 47 1HB SER 7 1HB SER 7 -0.829 -1.186 10.096 48 2HB SER 7 2HB SER 7 -0.853 -2.921 10.342 49 HG SER 7 HG SER 7 0.204 -2.539 12.157 50 H ALA 8 H ALA 8 1.852 -0.577 7.410 51 HA ALA 8 HA ALA 8 3.478 0.958 7.629 52 1HB ALA 8 1HB ALA 8 4.116 1.692 9.684 53 2HB ALA 8 2HB ALA 8 4.541 0.057 10.247 54 3HB ALA 8 3HB ALA 8 2.844 0.593 10.271 55 H ASN 9 H ASN 9 4.660 -1.907 9.535 56 HA ASN 9 HA ASN 9 7.127 -2.057 8.643 57 1HB ASN 9 1HB ASN 9 5.092 -4.271 9.122 58 2HB ASN 9 2HB ASN 9 6.732 -4.681 8.661 59 2HD2 ASN 9 2HD2 ASN 9 8.209 -4.848 10.174 60 1HD2 ASN 9 1HD2 ASN 9 8.106 -4.264 11.801 61 H GLN 10 H GLN 10 4.188 -3.368 6.954 62 HA GLN 10 HA GLN 10 5.698 -4.281 4.744 63 1HB GLN 10 1HB GLN 10 2.744 -3.797 4.505 64 2HB GLN 10 2HB GLN 10 3.693 -5.170 3.970 65 1HG GLN 10 1HG GLN 10 4.054 -5.342 6.698 66 2HG GLN 10 2HG GLN 10 2.447 -4.646 6.632 67 2HE2 GLN 10 2HE2 GLN 10 1.209 -5.680 4.573 68 1HE2 GLN 10 1HE2 GLN 10 1.096 -7.408 4.633 69 H CYS 11 H CYS 11 3.845 -1.340 5.590 70 HA CYS 11 HA CYS 11 4.381 -0.291 2.921 71 1HB CYS 11 1HB CYS 11 2.791 1.306 4.836 72 2HB CYS 11 2HB CYS 11 2.570 1.046 3.117 73 H ALA 12 H ALA 12 6.610 -0.690 4.651 74 HA ALA 12 HA ALA 12 7.123 1.962 5.774 75 1HB ALA 12 1HB ALA 12 9.210 -0.037 6.152 76 2HB ALA 12 2HB ALA 12 7.623 -0.658 6.665 77 3HB ALA 12 3HB ALA 12 8.259 0.849 7.367 78 H VAL 13 H VAL 13 6.938 1.675 2.906 79 HA VAL 13 HA VAL 13 9.692 1.555 2.002 80 HB VAL 13 HB VAL 13 7.610 2.371 0.109 81 1HG1 VAL 13 1HG1 VAL 13 10.032 0.757 0.221 82 2HG1 VAL 13 2HG1 VAL 13 8.727 -0.074 -0.659 83 3HG1 VAL 13 3HG1 VAL 13 9.251 1.549 -1.169 84 1HG2 VAL 13 1HG2 VAL 13 7.254 -0.101 1.790 85 2HG2 VAL 13 2HG2 VAL 13 6.041 1.076 1.231 86 3HG2 VAL 13 3HG2 VAL 13 6.740 -0.093 0.086 87 HA PRO 14 HA PRO 14 10.217 5.843 2.033 88 1HB PRO 14 1HB PRO 14 12.100 6.190 0.083 89 2HB PRO 14 2HB PRO 14 12.488 5.646 1.703 90 1HG PRO 14 1HG PRO 14 12.370 4.077 -0.799 91 2HG PRO 14 2HG PRO 14 13.150 3.669 0.717 92 1HD PRO 14 1HD PRO 14 10.664 2.631 -0.268 93 2HD PRO 14 2HD PRO 14 11.386 2.314 1.296 94 H ALA 15 H ALA 15 10.157 4.778 -1.342 95 HA ALA 15 HA ALA 15 7.812 5.721 -2.127 96 1HB ALA 15 1HB ALA 15 9.572 7.995 -1.411 97 2HB ALA 15 2HB ALA 15 7.799 7.918 -1.545 98 3HB ALA 15 3HB ALA 15 8.795 8.125 -3.006 99 H LYS 16 H LYS 16 11.276 5.430 -2.621 100 HA LYS 16 HA LYS 16 10.934 5.407 -5.512 101 1HB LYS 16 1HB LYS 16 13.356 5.386 -5.603 102 2HB LYS 16 2HB LYS 16 12.805 6.681 -4.559 103 1HG LYS 16 1HG LYS 16 14.355 5.809 -3.103 104 2HG LYS 16 2HG LYS 16 13.052 4.711 -2.693 105 1HD LYS 16 1HD LYS 16 14.706 3.151 -3.153 106 2HD LYS 16 2HD LYS 16 14.023 3.304 -4.759 107 1HE LYS 16 1HE LYS 16 15.768 5.174 -5.172 108 2HE LYS 16 2HE LYS 16 16.531 4.660 -3.681 109 1HZ LYS 16 1HZ LYS 16 16.271 2.346 -4.889 110 2HZ LYS 16 2HZ LYS 16 16.387 3.297 -6.211 111 3HZ LYS 16 3HZ LYS 16 17.579 3.300 -5.095 112 H ASP 17 H ASP 17 10.267 3.326 -3.068 113 HA ASP 17 HA ASP 17 11.227 1.059 -4.633 114 1HB ASP 17 1HB ASP 17 11.369 1.658 -1.775 115 2HB ASP 17 2HB ASP 17 10.469 0.177 -2.029 116 H ARG 18 H ARG 18 8.638 2.911 -4.419 117 HA ARG 18 HA ARG 18 6.658 1.142 -3.470 118 1HB ARG 18 1HB ARG 18 6.231 3.532 -5.322 119 2HB ARG 18 2HB ARG 18 5.079 2.849 -4.193 120 1HG ARG 18 1HG ARG 18 7.705 4.208 -3.423 121 2HG ARG 18 2HG ARG 18 6.118 4.944 -3.314 122 1HD ARG 18 1HD ARG 18 5.449 2.983 -1.772 123 2HD ARG 18 2HD ARG 18 7.145 2.541 -1.736 124 HE ARG 18 HE ARG 18 7.480 4.265 -0.210 125 1HH1 ARG 18 1HH1 ARG 18 4.678 5.065 -2.183 126 2HH1 ARG 18 2HH1 ARG 18 4.336 6.532 -1.329 127 1HH2 ARG 18 1HH2 ARG 18 7.029 6.202 0.917 128 2HH2 ARG 18 2HH2 ARG 18 5.682 7.184 0.446 129 H VAL 19 H VAL 19 6.024 -0.686 -4.573 130 HA VAL 19 HA VAL 19 6.656 -1.012 -7.327 131 HB VAL 19 HB VAL 19 4.899 -2.677 -5.515 132 1HG1 VAL 19 1HG1 VAL 19 4.742 -3.116 -7.984 133 2HG1 VAL 19 2HG1 VAL 19 6.476 -3.518 -7.966 134 3HG1 VAL 19 3HG1 VAL 19 5.326 -4.496 -7.024 135 1HG2 VAL 19 1HG2 VAL 19 7.308 -2.145 -4.726 136 2HG2 VAL 19 2HG2 VAL 19 6.780 -3.845 -4.761 137 3HG2 VAL 19 3HG2 VAL 19 7.819 -3.209 -6.059 138 H ASP 20 H ASP 20 4.138 0.578 -5.619 139 HA ASP 20 HA ASP 20 2.271 1.494 -6.228 140 1HB ASP 20 1HB ASP 20 3.313 2.530 -8.100 141 2HB ASP 20 2HB ASP 20 3.509 1.010 -8.952 142 H CYS 21 H CYS 21 0.382 0.351 -5.778 143 HA CYS 21 HA CYS 21 0.042 -2.277 -6.852 144 1HB CYS 21 1HB CYS 21 -0.783 -0.954 -4.554 145 2HB CYS 21 2HB CYS 21 -2.263 -1.132 -5.476 146 H GLY 22 H GLY 22 -0.472 0.892 -7.956 147 1HA GLY 22 1HA GLY 22 -1.731 0.205 -10.311 148 2HA GLY 22 2HA GLY 22 -1.695 1.808 -9.604 149 H TYR 23 H TYR 23 -3.410 2.444 -8.060 150 HA TYR 23 HA TYR 23 -5.921 1.195 -8.806 151 1HB TYR 23 1HB TYR 23 -4.592 0.390 -6.513 152 2HB TYR 23 2HB TYR 23 -5.409 1.806 -5.882 153 HD1 TYR 23 HD1 TYR 23 -6.470 -0.899 -8.267 154 HD2 TYR 23 HD2 TYR 23 -7.233 1.171 -4.602 155 HE1 TYR 23 HE1 TYR 23 -8.588 -2.265 -7.928 156 HE2 TYR 23 HE2 TYR 23 -9.348 -0.201 -4.275 157 HH TYR 23 HH TYR 23 -10.861 -1.757 -6.594 158 HA PRO 24 HA PRO 24 -7.113 5.352 -8.576 159 1HB PRO 24 1HB PRO 24 -9.830 5.087 -8.696 160 2HB PRO 24 2HB PRO 24 -8.798 5.023 -10.110 161 1HG PRO 24 1HG PRO 24 -10.158 2.805 -8.706 162 2HG PRO 24 2HG PRO 24 -9.489 2.833 -10.326 163 1HD PRO 24 1HD PRO 24 -8.324 1.607 -8.009 164 2HD PRO 24 2HD PRO 24 -7.603 1.736 -9.601 165 H HIS 25 H HIS 25 -9.796 3.897 -6.844 166 HA HIS 25 HA HIS 25 -9.660 5.883 -4.868 167 1HB HIS 25 1HB HIS 25 -11.652 5.070 -4.255 168 2HB HIS 25 2HB HIS 25 -11.539 4.111 -5.717 169 HD1 HIS 25 HD1 HIS 25 -12.117 3.765 -2.177 170 HD2 HIS 25 HD2 HIS 25 -10.244 1.431 -5.117 171 HE1 HIS 25 HE1 HIS 25 -11.993 1.396 -1.238 172 HE2 HIS 25 HE2 HIS 25 -10.883 -0.003 -3.110 173 H VAL 26 H VAL 26 -7.698 6.033 -3.791 174 HA VAL 26 HA VAL 26 -6.981 3.648 -2.236 175 HB VAL 26 HB VAL 26 -4.614 4.398 -2.474 176 1HG1 VAL 26 1HG1 VAL 26 -6.217 3.488 -4.868 177 2HG1 VAL 26 2HG1 VAL 26 -4.445 3.645 -4.935 178 3HG1 VAL 26 3HG1 VAL 26 -5.196 2.528 -3.770 179 1HG2 VAL 26 1HG2 VAL 26 -5.835 6.658 -3.710 180 2HG2 VAL 26 2HG2 VAL 26 -4.106 6.353 -3.415 181 3HG2 VAL 26 3HG2 VAL 26 -4.854 5.829 -4.943 182 H THR 27 H THR 27 -7.021 3.996 -0.074 183 HA THR 27 HA THR 27 -6.486 6.704 0.889 184 HB THR 27 HB THR 27 -8.587 6.953 1.879 185 HG1 THR 27 HG1 THR 27 -9.596 5.099 2.784 186 1HG2 THR 27 1HG2 THR 27 -9.241 4.848 -0.250 187 2HG2 THR 27 2HG2 THR 27 -10.407 5.965 0.499 188 3HG2 THR 27 3HG2 THR 27 -9.117 6.598 -0.553 189 HA PRO 28 HA PRO 28 -4.523 4.701 4.143 190 1HB PRO 28 1HB PRO 28 -5.186 6.099 6.395 191 2HB PRO 28 2HB PRO 28 -4.002 6.661 5.232 192 1HG PRO 28 1HG PRO 28 -6.771 7.604 5.659 193 2HG PRO 28 2HG PRO 28 -5.455 8.405 4.825 194 1HD PRO 28 1HD PRO 28 -7.682 7.059 3.621 195 2HD PRO 28 2HD PRO 28 -6.307 7.760 2.790 196 H LYS 29 H LYS 29 -6.866 3.372 3.344 197 HA LYS 29 HA LYS 29 -7.079 1.573 5.452 198 1HB LYS 29 1HB LYS 29 -8.360 3.676 6.343 199 2HB LYS 29 2HB LYS 29 -9.632 3.154 5.257 200 1HG LYS 29 1HG LYS 29 -8.489 0.939 6.865 201 2HG LYS 29 2HG LYS 29 -9.218 2.197 7.843 202 1HD LYS 29 1HD LYS 29 -11.173 1.976 5.980 203 2HD LYS 29 2HD LYS 29 -10.506 0.362 5.836 204 1HE LYS 29 1HE LYS 29 -11.844 -0.162 7.611 205 2HE LYS 29 2HE LYS 29 -10.636 0.646 8.591 206 1HZ LYS 29 1HZ LYS 29 -11.909 2.722 8.152 207 2HZ LYS 29 2HZ LYS 29 -13.097 1.809 7.502 208 3HZ LYS 29 3HZ LYS 29 -12.690 1.622 9.073 209 H GLU 30 H GLU 30 -8.861 3.171 2.739 210 HA GLU 30 HA GLU 30 -10.102 0.773 1.964 211 1HB GLU 30 1HB GLU 30 -10.037 3.568 1.107 212 2HB GLU 30 2HB GLU 30 -10.011 2.498 -0.281 213 1HG GLU 30 1HG GLU 30 -12.331 2.853 0.201 214 2HG GLU 30 2HG GLU 30 -11.979 1.237 0.783 215 H CYS 31 H CYS 31 -7.096 2.501 1.024 216 HA CYS 31 HA CYS 31 -6.554 0.819 -1.179 217 1HB CYS 31 1HB CYS 31 -5.494 2.842 -1.356 218 2HB CYS 31 2HB CYS 31 -5.078 2.914 0.345 219 H ASN 32 H ASN 32 -6.101 0.694 2.328 220 HA ASN 32 HA ASN 32 -4.229 -1.485 2.065 221 1HB ASN 32 1HB ASN 32 -3.544 -0.881 4.172 222 2HB ASN 32 2HB ASN 32 -4.515 0.559 3.941 223 2HD2 ASN 32 2HD2 ASN 32 -3.959 -2.095 5.852 224 1HD2 ASN 32 1HD2 ASN 32 -5.424 -2.145 6.774 225 H ASN 33 H ASN 33 -7.484 -1.131 1.742 226 HA ASN 33 HA ASN 33 -8.186 -3.372 3.439 227 1HB ASN 33 1HB ASN 33 -9.693 -1.423 3.558 228 2HB ASN 33 2HB ASN 33 -9.871 -1.398 1.814 229 2HD2 ASN 33 2HD2 ASN 33 -10.971 -2.656 4.770 230 1HD2 ASN 33 1HD2 ASN 33 -12.163 -3.769 4.187 231 H ARG 34 H ARG 34 -8.113 -2.167 0.038 232 HA ARG 34 HA ARG 34 -9.423 -4.272 -1.135 233 1HB ARG 34 1HB ARG 34 -8.561 -1.984 -2.115 234 2HB ARG 34 2HB ARG 34 -7.076 -2.850 -2.454 235 1HG ARG 34 1HG ARG 34 -9.827 -3.782 -3.398 236 2HG ARG 34 2HG ARG 34 -8.743 -2.813 -4.376 237 1HD ARG 34 1HD ARG 34 -7.064 -4.871 -3.546 238 2HD ARG 34 2HD ARG 34 -8.598 -5.704 -3.701 239 HE ARG 34 HE ARG 34 -8.132 -3.998 -5.995 240 1HH1 ARG 34 1HH1 ARG 34 -7.193 -7.078 -4.575 241 2HH1 ARG 34 2HH1 ARG 34 -6.784 -7.800 -6.095 242 1HH2 ARG 34 1HH2 ARG 34 -7.593 -4.950 -8.001 243 2HH2 ARG 34 2HH2 ARG 34 -7.013 -6.581 -8.057 244 H GLY 35 H GLY 35 -6.142 -3.970 0.154 245 1HA GLY 35 1HA GLY 35 -5.526 -6.685 -0.853 246 2HA GLY 35 2HA GLY 35 -5.126 -6.114 0.755 247 H CYS 36 H CYS 36 -3.721 -4.032 0.843 248 HA CYS 36 HA CYS 36 -1.351 -4.536 -0.481 249 1HB CYS 36 1HB CYS 36 -3.121 -3.309 -2.231 250 2HB CYS 36 2HB CYS 36 -2.152 -1.976 -1.636 251 H CYS 37 H CYS 37 -0.565 -1.640 -0.640 252 HA CYS 37 HA CYS 37 -0.950 -0.928 2.176 253 1HB CYS 37 1HB CYS 37 1.567 -1.154 0.583 254 2HB CYS 37 2HB CYS 37 1.452 0.126 1.774 255 H PHE 38 H PHE 38 -0.968 1.413 2.574 256 HA PHE 38 HA PHE 38 -1.454 2.941 0.113 257 1HB PHE 38 1HB PHE 38 -3.500 2.590 1.465 258 2HB PHE 38 2HB PHE 38 -2.649 2.997 2.942 259 HD1 PHE 38 HD1 PHE 38 -3.994 4.390 -0.202 260 HD2 PHE 38 HD2 PHE 38 -2.427 5.255 3.646 261 HE1 PHE 38 HE1 PHE 38 -4.721 6.781 -0.443 262 HE2 PHE 38 HE2 PHE 38 -3.154 7.645 3.405 263 HZ PHE 38 HZ PHE 38 -4.292 8.380 1.363 264 H ASP 39 H ASP 39 -1.288 5.453 0.663 265 HA ASP 39 HA ASP 39 0.385 6.249 2.707 266 1HB ASP 39 1HB ASP 39 2.186 5.055 1.589 267 2HB ASP 39 2HB ASP 39 1.736 5.711 0.028 268 H SER 40 H SER 40 0.650 8.610 2.609 269 HA SER 40 HA SER 40 -0.354 9.851 0.191 270 1HB SER 40 1HB SER 40 -1.865 11.320 1.460 271 2HB SER 40 2HB SER 40 -2.301 9.641 1.707 272 HG SER 40 HG SER 40 -1.011 11.457 3.521 273 H ARG 41 H ARG 41 2.233 9.449 1.953 274 HA ARG 41 HA ARG 41 2.875 11.868 3.079 275 1HB ARG 41 1HB ARG 41 4.097 9.451 2.943 276 2HB ARG 41 2HB ARG 41 5.035 10.268 1.709 277 1HG ARG 41 1HG ARG 41 4.641 11.859 4.197 278 2HG ARG 41 2HG ARG 41 5.560 10.385 4.424 279 1HD ARG 41 1HD ARG 41 6.963 11.129 2.362 280 2HD ARG 41 2HD ARG 41 6.190 12.691 2.534 281 HE ARG 41 HE ARG 41 8.292 11.630 4.214 282 1HH1 ARG 41 1HH1 ARG 41 5.419 13.660 4.306 283 2HH1 ARG 41 2HH1 ARG 41 5.954 14.575 5.676 284 1HH2 ARG 41 1HH2 ARG 41 8.998 12.837 6.021 285 2HH2 ARG 41 2HH2 ARG 41 8.003 14.104 6.658 286 H ILE 42 H ILE 42 3.210 10.625 -0.285 287 HA ILE 42 HA ILE 42 3.440 13.338 -1.229 288 HB ILE 42 HB ILE 42 5.470 12.251 -2.675 289 1HG1 ILE 42 1HG1 ILE 42 7.064 11.271 -1.045 290 2HG1 ILE 42 2HG1 ILE 42 5.795 11.231 0.163 291 1HG2 ILE 42 1HG2 ILE 42 5.116 14.485 -1.319 292 2HG2 ILE 42 2HG2 ILE 42 6.154 13.664 -0.128 293 3HG2 ILE 42 3HG2 ILE 42 6.743 13.934 -1.786 294 1HD1 ILE 42 1HD1 ILE 42 5.213 9.971 -2.510 295 2HD1 ILE 42 2HD1 ILE 42 6.299 9.111 -1.391 296 3HD1 ILE 42 3HD1 ILE 42 4.637 9.508 -0.891 297 HA PRO 43 HA PRO 43 1.037 11.365 -4.247 298 1HB PRO 43 1HB PRO 43 0.671 13.480 -5.938 299 2HB PRO 43 2HB PRO 43 -0.293 13.228 -4.497 300 1HG PRO 43 1HG PRO 43 1.878 15.182 -4.957 301 2HG PRO 43 2HG PRO 43 0.639 15.188 -3.717 302 1HD PRO 43 1HD PRO 43 3.392 14.452 -3.389 303 2HD PRO 43 2HD PRO 43 2.128 14.349 -2.179 304 H GLY 44 H GLY 44 3.915 13.115 -5.126 305 1HA GLY 44 1HA GLY 44 5.569 12.495 -6.537 306 2HA GLY 44 2HA GLY 44 4.280 12.473 -7.723 307 H VAL 45 H VAL 45 4.528 10.265 -4.894 308 HA VAL 45 HA VAL 45 5.326 8.109 -6.695 309 HB VAL 45 HB VAL 45 6.174 7.031 -4.865 310 1HG1 VAL 45 1HG1 VAL 45 6.391 9.997 -4.530 311 2HG1 VAL 45 2HG1 VAL 45 7.035 8.953 -3.241 312 3HG1 VAL 45 3HG1 VAL 45 7.645 8.791 -4.905 313 1HG2 VAL 45 1HG2 VAL 45 4.082 8.492 -3.249 314 2HG2 VAL 45 2HG2 VAL 45 4.314 6.740 -3.463 315 3HG2 VAL 45 3HG2 VAL 45 5.458 7.675 -2.470 316 HA PRO 46 HA PRO 46 1.458 6.188 -6.486 317 1HB PRO 46 1HB PRO 46 1.982 3.530 -6.128 318 2HB PRO 46 2HB PRO 46 2.151 4.341 -7.672 319 1HG PRO 46 1HG PRO 46 4.263 3.461 -5.800 320 2HG PRO 46 2HG PRO 46 4.403 3.874 -7.498 321 1HD PRO 46 1HD PRO 46 5.180 5.500 -5.266 322 2HD PRO 46 2HD PRO 46 5.211 5.957 -6.958 323 H TRP 47 H TRP 47 0.574 7.303 -4.710 324 HA TRP 47 HA TRP 47 0.898 6.966 -2.141 325 1HB TRP 47 1HB TRP 47 -1.572 7.238 -3.777 326 2HB TRP 47 2HB TRP 47 -1.771 6.867 -2.076 327 HD1 TRP 47 HD1 TRP 47 1.102 9.186 -3.188 328 HE1 TRP 47 HE1 TRP 47 0.740 11.647 -2.307 329 HE3 TRP 47 HE3 TRP 47 -3.595 8.415 -1.400 330 HZ2 TRP 47 HZ2 TRP 47 -1.422 12.965 -0.990 331 HZ3 TRP 47 HZ3 TRP 47 -4.762 10.341 -0.331 332 HH2 TRP 47 HH2 TRP 47 -3.750 12.555 -0.112 333 H CYS 48 H CYS 48 -1.160 4.685 -4.101 334 HA CYS 48 HA CYS 48 -1.006 2.781 -1.928 335 1HB CYS 48 1HB CYS 48 -3.117 3.366 -3.285 336 2HB CYS 48 2HB CYS 48 -2.425 2.373 -4.553 337 H PHE 49 H PHE 49 0.750 1.422 -1.875 338 HA PHE 49 HA PHE 49 1.702 0.392 -4.442 339 1HB PHE 49 1HB PHE 49 4.044 0.617 -3.305 340 2HB PHE 49 2HB PHE 49 3.307 2.113 -3.841 341 HD1 PHE 49 HD1 PHE 49 3.491 -0.051 -0.805 342 HD2 PHE 49 HD2 PHE 49 3.209 3.886 -2.362 343 HE1 PHE 49 HE1 PHE 49 3.697 0.882 1.516 344 HE2 PHE 49 HE2 PHE 49 3.415 4.819 -0.041 345 HZ PHE 49 HZ PHE 49 3.656 3.306 1.870 346 H LYS 50 H LYS 50 3.168 -1.585 -4.096 347 HA LYS 50 HA LYS 50 1.783 -3.400 -2.434 348 1HB LYS 50 1HB LYS 50 4.435 -3.776 -3.854 349 2HB LYS 50 2HB LYS 50 3.363 -5.036 -3.277 350 1HG LYS 50 1HG LYS 50 1.554 -3.859 -4.804 351 2HG LYS 50 2HG LYS 50 2.935 -3.107 -5.579 352 1HD LYS 50 1HD LYS 50 2.680 -5.046 -6.875 353 2HD LYS 50 2HD LYS 50 3.894 -5.562 -5.721 354 1HE LYS 50 1HE LYS 50 2.357 -6.864 -4.475 355 2HE LYS 50 2HE LYS 50 0.967 -5.966 -5.053 356 1HZ LYS 50 1HZ LYS 50 2.617 -7.553 -6.877 357 2HZ LYS 50 2HZ LYS 50 1.378 -8.218 -6.047 358 3HZ LYS 50 3HZ LYS 50 1.094 -7.009 -7.107 359 HA PRO 51 HA PRO 51 4.100 -3.195 1.200 360 1HB PRO 51 1HB PRO 51 4.141 -5.779 2.090 361 2HB PRO 51 2HB PRO 51 2.753 -4.725 2.272 362 1HG PRO 51 1HG PRO 51 3.145 -6.963 0.380 363 2HG PRO 51 2HG PRO 51 1.651 -6.187 0.869 364 1HD PRO 51 1HD PRO 51 3.051 -5.810 -1.606 365 2HD PRO 51 2HD PRO 51 1.622 -4.950 -1.068 366 H LEU 52 H LEU 52 6.152 -2.704 1.629 367 HA LEU 52 HA LEU 52 8.199 -3.236 0.040 368 1HB LEU 52 1HB LEU 52 8.433 -1.782 1.891 369 2HB LEU 52 2HB LEU 52 8.134 -3.066 3.045 370 HG LEU 52 HG LEU 52 10.567 -2.930 1.243 371 1HD1 LEU 52 1HD1 LEU 52 10.293 -1.061 2.982 372 2HD1 LEU 52 2HD1 LEU 52 10.558 -2.334 4.198 373 3HD1 LEU 52 3HD1 LEU 52 11.812 -1.988 2.983 374 1HD2 LEU 52 1HD2 LEU 52 9.497 -4.967 3.036 375 2HD2 LEU 52 2HD2 LEU 52 10.785 -5.073 1.811 376 3HD2 LEU 52 3HD2 LEU 52 11.161 -4.493 3.451 377 H GLN 53 H GLN 53 9.644 -4.872 -0.475 378 HA GLN 53 HA GLN 53 8.722 -7.462 -0.143 379 1HB GLN 53 1HB GLN 53 11.090 -6.123 -1.330 380 2HB GLN 53 2HB GLN 53 11.391 -7.769 -0.811 381 1HG GLN 53 1HG GLN 53 10.470 -8.402 -2.795 382 2HG GLN 53 2HG GLN 53 8.924 -8.018 -2.066 383 2HE2 GLN 53 2HE2 GLN 53 8.595 -5.476 -1.991 384 1HE2 GLN 53 1HE2 GLN 53 8.763 -4.682 -3.521 385 H GLU 54 H GLU 54 8.386 -7.613 2.214 386 HA GLU 54 HA GLU 54 10.250 -7.218 4.114 387 1HB GLU 54 1HB GLU 54 8.896 -8.530 5.533 388 2HB GLU 54 2HB GLU 54 7.778 -7.990 4.297 389 1HG GLU 54 1HG GLU 54 8.432 -10.225 3.057 390 2HG GLU 54 2HG GLU 54 9.046 -10.729 4.619 391 H ALA 55 H ALA 55 12.325 -7.931 4.308 392 HA ALA 55 HA ALA 55 12.843 -10.754 3.986 393 1HB ALA 55 1HB ALA 55 13.270 -10.243 1.741 394 2HB ALA 55 2HB ALA 55 14.878 -10.063 2.484 395 3HB ALA 55 3HB ALA 55 13.897 -8.622 2.124 396 H GLU 56 H GLU 56 13.673 -11.111 5.995 397 HA GLU 56 HA GLU 56 15.043 -11.021 7.679 398 1HB GLU 56 1HB GLU 56 16.685 -10.345 5.578 399 2HB GLU 56 2HB GLU 56 16.907 -8.953 6.619 400 1HG GLU 56 1HG GLU 56 16.961 -11.290 8.299 401 2HG GLU 56 2HG GLU 56 17.994 -11.617 6.922 402 H CYS 57 H CYS 57 15.494 -7.624 6.467 403 HA CYS 57 HA CYS 57 13.631 -6.511 8.222 404 1HB CYS 57 1HB CYS 57 16.239 -7.065 9.390 405 2HB CYS 57 2HB CYS 57 15.864 -5.354 9.422 406 H THR 58 H THR 58 17.056 -5.660 7.310 407 HA THR 58 HA THR 58 15.942 -3.642 5.478 408 HB THR 58 HB THR 58 17.864 -2.177 6.272 409 HG1 THR 58 HG1 THR 58 19.076 -4.081 7.102 410 1HG2 THR 58 1HG2 THR 58 15.573 -3.043 7.976 411 2HG2 THR 58 2HG2 THR 58 16.923 -2.308 8.872 412 3HG2 THR 58 3HG2 THR 58 16.119 -1.399 7.570 413 H PHE 59 H PHE 59 16.412 -4.195 3.451 414 HA PHE 59 HA PHE 59 17.435 -5.209 1.758 415 1HB PHE 59 1HB PHE 59 18.714 -3.094 1.977 416 2HB PHE 59 2HB PHE 59 19.690 -3.767 3.268 417 HD1 PHE 59 HD1 PHE 59 18.872 -4.399 -0.320 418 HD2 PHE 59 HD2 PHE 59 21.791 -4.579 2.755 419 HE1 PHE 59 HE1 PHE 59 20.594 -5.121 -1.997 420 HE2 PHE 59 HE2 PHE 59 23.513 -5.301 1.077 421 HZ PHE 59 HZ PHE 59 22.894 -5.563 -1.279 No H/Q in entry = 421 Start of MODEL 29 1 H GLU 1 H GLU 1 4.088 -10.674 20.590 2 HA GLU 1 HA GLU 1 6.235 -11.798 21.193 3 1HB GLU 1 1HB GLU 1 4.686 -12.469 23.445 4 2HB GLU 1 2HB GLU 1 4.797 -13.971 22.549 5 1HG GLU 1 1HG GLU 1 7.403 -12.986 22.381 6 2HG GLU 1 2HG GLU 1 6.914 -12.475 23.984 7 H GLU 2 H GLU 2 4.746 -11.503 18.936 8 HA GLU 2 HA GLU 2 4.705 -14.205 17.966 9 1HB GLU 2 1HB GLU 2 2.282 -13.052 18.731 10 2HB GLU 2 2HB GLU 2 2.333 -12.726 17.010 11 1HG GLU 2 1HG GLU 2 2.191 -14.961 16.434 12 2HG GLU 2 2HG GLU 2 3.153 -15.489 17.800 13 H TYR 3 H TYR 3 3.318 -11.090 16.720 14 HA TYR 3 HA TYR 3 5.505 -11.037 14.759 15 1HB TYR 3 1HB TYR 3 3.822 -10.652 13.042 16 2HB TYR 3 2HB TYR 3 3.164 -11.958 14.008 17 HD1 TYR 3 HD1 TYR 3 1.291 -11.545 15.578 18 HD2 TYR 3 HD2 TYR 3 2.787 -8.461 13.018 19 HE1 TYR 3 HE1 TYR 3 -0.813 -10.177 15.984 20 HE2 TYR 3 HE2 TYR 3 0.678 -7.103 13.433 21 HH TYR 3 HH TYR 3 -1.978 -8.119 14.285 22 H VAL 4 H VAL 4 5.404 -8.788 13.536 23 HA VAL 4 HA VAL 4 4.249 -6.581 14.723 24 HB VAL 4 HB VAL 4 5.443 -6.941 16.714 25 1HG1 VAL 4 1HG1 VAL 4 7.479 -8.040 14.944 26 2HG1 VAL 4 2HG1 VAL 4 8.180 -6.934 16.150 27 3HG1 VAL 4 3HG1 VAL 4 7.201 -8.323 16.680 28 1HG2 VAL 4 1HG2 VAL 4 5.498 -4.615 15.880 29 2HG2 VAL 4 2HG2 VAL 4 6.922 -5.007 16.874 30 3HG2 VAL 4 3HG2 VAL 4 7.065 -4.942 15.101 31 H GLY 5 H GLY 5 4.050 -5.606 12.760 32 1HA GLY 5 1HA GLY 5 6.280 -5.690 10.886 33 2HA GLY 5 2HA GLY 5 5.865 -4.114 11.530 34 H LEU 6 H LEU 6 3.260 -6.464 11.294 35 HA LEU 6 HA LEU 6 2.420 -6.359 8.752 36 1HB LEU 6 1HB LEU 6 1.380 -7.155 11.150 37 2HB LEU 6 2HB LEU 6 0.276 -5.869 10.706 38 HG LEU 6 HG LEU 6 0.945 -8.271 8.982 39 1HD1 LEU 6 1HD1 LEU 6 -1.456 -7.672 10.725 40 2HD1 LEU 6 2HD1 LEU 6 -1.408 -8.952 9.489 41 3HD1 LEU 6 3HD1 LEU 6 -0.301 -9.018 10.882 42 1HD2 LEU 6 1HD2 LEU 6 -0.705 -5.821 8.524 43 2HD2 LEU 6 2HD2 LEU 6 0.339 -6.728 7.405 44 3HD2 LEU 6 3HD2 LEU 6 -1.261 -7.370 7.847 45 H SER 7 H SER 7 2.409 -3.697 11.119 46 HA SER 7 HA SER 7 1.215 -2.034 9.043 47 1HB SER 7 1HB SER 7 0.725 -0.441 10.973 48 2HB SER 7 2HB SER 7 -0.168 -1.949 10.997 49 HG SER 7 HG SER 7 2.102 -1.191 12.607 50 H ALA 8 H ALA 8 2.461 -0.387 8.171 51 HA ALA 8 HA ALA 8 4.080 1.153 8.016 52 1HB ALA 8 1HB ALA 8 5.011 1.989 9.904 53 2HB ALA 8 2HB ALA 8 5.657 0.406 10.397 54 3HB ALA 8 3HB ALA 8 3.965 0.828 10.756 55 H ASN 9 H ASN 9 5.836 -1.441 9.840 56 HA ASN 9 HA ASN 9 8.012 -1.586 8.369 57 1HB ASN 9 1HB ASN 9 7.131 -3.097 10.362 58 2HB ASN 9 2HB ASN 9 6.603 -4.187 9.096 59 2HD2 ASN 9 2HD2 ASN 9 7.956 -5.816 9.060 60 1HD2 ASN 9 1HD2 ASN 9 9.686 -5.737 8.997 61 H GLN 10 H GLN 10 4.745 -2.668 7.464 62 HA GLN 10 HA GLN 10 5.698 -4.130 5.195 63 1HB GLN 10 1HB GLN 10 3.523 -4.478 6.729 64 2HB GLN 10 2HB GLN 10 2.799 -3.397 5.556 65 1HG GLN 10 1HG GLN 10 2.471 -5.255 4.278 66 2HG GLN 10 2HG GLN 10 4.182 -5.159 3.912 67 2HE2 GLN 10 2HE2 GLN 10 2.007 -6.281 6.501 68 1HE2 GLN 10 1HE2 GLN 10 2.823 -7.770 6.845 69 H CYS 11 H CYS 11 3.956 -1.042 5.899 70 HA CYS 11 HA CYS 11 4.328 -0.328 3.087 71 1HB CYS 11 1HB CYS 11 2.598 1.277 4.913 72 2HB CYS 11 2HB CYS 11 2.473 1.021 3.184 73 H ALA 12 H ALA 12 6.634 -0.320 4.649 74 HA ALA 12 HA ALA 12 6.961 2.520 5.341 75 1HB ALA 12 1HB ALA 12 9.047 1.378 6.568 76 2HB ALA 12 2HB ALA 12 7.440 1.455 7.330 77 3HB ALA 12 3HB ALA 12 7.974 -0.041 6.527 78 H VAL 13 H VAL 13 7.000 2.110 2.683 79 HA VAL 13 HA VAL 13 9.721 1.468 1.896 80 HB VAL 13 HB VAL 13 7.778 2.447 -0.093 81 1HG1 VAL 13 1HG1 VAL 13 9.997 0.534 0.135 82 2HG1 VAL 13 2HG1 VAL 13 8.630 -0.069 -0.833 83 3HG1 VAL 13 3HG1 VAL 13 9.421 1.465 -1.269 84 1HG2 VAL 13 1HG2 VAL 13 7.205 0.044 1.642 85 2HG2 VAL 13 2HG2 VAL 13 6.109 1.349 1.129 86 3HG2 VAL 13 3HG2 VAL 13 6.643 0.122 -0.045 87 HA PRO 14 HA PRO 14 10.911 5.616 1.676 88 1HB PRO 14 1HB PRO 14 12.957 5.493 -0.131 89 2HB PRO 14 2HB PRO 14 13.139 5.047 1.554 90 1HG PRO 14 1HG PRO 14 12.950 3.292 -0.817 91 2HG PRO 14 2HG PRO 14 13.546 2.911 0.786 92 1HD PRO 14 1HD PRO 14 11.002 2.177 -0.318 93 2HD PRO 14 2HD PRO 14 11.553 1.898 1.322 94 H ALA 15 H ALA 15 9.112 4.216 -0.586 95 HA ALA 15 HA ALA 15 7.708 5.217 -2.026 96 1HB ALA 15 1HB ALA 15 8.718 7.436 -0.726 97 2HB ALA 15 2HB ALA 15 7.469 7.469 -1.994 98 3HB ALA 15 3HB ALA 15 9.175 7.748 -2.418 99 H LYS 16 H LYS 16 11.213 5.180 -2.273 100 HA LYS 16 HA LYS 16 11.112 5.331 -5.170 101 1HB LYS 16 1HB LYS 16 13.531 5.354 -5.049 102 2HB LYS 16 2HB LYS 16 12.866 6.546 -3.951 103 1HG LYS 16 1HG LYS 16 14.568 5.435 -2.694 104 2HG LYS 16 2HG LYS 16 13.061 4.774 -2.092 105 1HD LYS 16 1HD LYS 16 13.431 2.683 -3.025 106 2HD LYS 16 2HD LYS 16 14.269 3.331 -4.421 107 1HE LYS 16 1HE LYS 16 16.228 2.746 -3.436 108 2HE LYS 16 2HE LYS 16 15.943 3.995 -2.240 109 1HZ LYS 16 1HZ LYS 16 14.430 2.110 -1.260 110 2HZ LYS 16 2HZ LYS 16 15.495 1.151 -2.042 111 3HZ LYS 16 3HZ LYS 16 16.022 2.203 -0.910 112 H ASP 17 H ASP 17 10.115 3.069 -3.118 113 HA ASP 17 HA ASP 17 11.221 0.954 -4.783 114 1HB ASP 17 1HB ASP 17 11.547 1.297 -1.947 115 2HB ASP 17 2HB ASP 17 10.455 -0.056 -2.172 116 H ARG 18 H ARG 18 8.648 2.696 -4.600 117 HA ARG 18 HA ARG 18 6.657 0.935 -3.657 118 1HB ARG 18 1HB ARG 18 6.219 3.273 -5.566 119 2HB ARG 18 2HB ARG 18 5.091 2.631 -4.388 120 1HG ARG 18 1HG ARG 18 7.761 3.727 -3.459 121 2HG ARG 18 2HG ARG 18 6.458 4.835 -3.842 122 1HD ARG 18 1HD ARG 18 5.172 2.912 -2.267 123 2HD ARG 18 2HD ARG 18 6.755 3.015 -1.523 124 HE ARG 18 HE ARG 18 5.475 5.610 -2.116 125 1HH1 ARG 18 1HH1 ARG 18 6.072 3.097 0.273 126 2HH1 ARG 18 2HH1 ARG 18 5.730 4.124 1.626 127 1HH2 ARG 18 1HH2 ARG 18 5.023 6.965 -0.332 128 2HH2 ARG 18 2HH2 ARG 18 5.129 6.339 1.279 129 H VAL 19 H VAL 19 5.628 -0.710 -4.777 130 HA VAL 19 HA VAL 19 6.429 -1.123 -7.529 131 HB VAL 19 HB VAL 19 4.859 -2.775 -5.542 132 1HG1 VAL 19 1HG1 VAL 19 5.696 -3.397 -8.390 133 2HG1 VAL 19 2HG1 VAL 19 5.201 -4.635 -7.211 134 3HG1 VAL 19 3HG1 VAL 19 4.049 -3.375 -7.714 135 1HG2 VAL 19 1HG2 VAL 19 7.293 -2.457 -5.076 136 2HG2 VAL 19 2HG2 VAL 19 6.838 -4.149 -5.390 137 3HG2 VAL 19 3HG2 VAL 19 7.651 -3.197 -6.655 138 H ASP 20 H ASP 20 4.129 0.726 -5.990 139 HA ASP 20 HA ASP 20 2.095 1.403 -6.442 140 1HB ASP 20 1HB ASP 20 3.178 2.705 -8.116 141 2HB ASP 20 2HB ASP 20 3.481 1.313 -9.136 142 H CYS 21 H CYS 21 0.766 -0.444 -5.860 143 HA CYS 21 HA CYS 21 0.436 -2.649 -7.555 144 1HB CYS 21 1HB CYS 21 -1.827 -2.626 -6.016 145 2HB CYS 21 2HB CYS 21 -0.298 -3.367 -5.590 146 H GLY 22 H GLY 22 -0.664 0.625 -7.669 147 1HA GLY 22 1HA GLY 22 -2.142 0.202 -10.057 148 2HA GLY 22 2HA GLY 22 -1.971 1.698 -9.160 149 H TYR 23 H TYR 23 -3.637 2.419 -7.828 150 HA TYR 23 HA TYR 23 -6.043 0.760 -7.873 151 1HB TYR 23 1HB TYR 23 -4.420 1.887 -5.549 152 2HB TYR 23 2HB TYR 23 -6.162 1.831 -5.369 153 HD1 TYR 23 HD1 TYR 23 -7.322 -0.465 -5.717 154 HD2 TYR 23 HD2 TYR 23 -3.114 -0.013 -5.087 155 HE1 TYR 23 HE1 TYR 23 -7.162 -2.897 -4.996 156 HE2 TYR 23 HE2 TYR 23 -2.968 -2.447 -4.368 157 HH TYR 23 HH TYR 23 -4.021 -4.351 -4.245 158 HA PRO 24 HA PRO 24 -7.833 4.606 -8.742 159 1HB PRO 24 1HB PRO 24 -10.471 4.021 -8.334 160 2HB PRO 24 2HB PRO 24 -9.615 3.610 -9.807 161 1HG PRO 24 1HG PRO 24 -10.439 1.840 -7.588 162 2HG PRO 24 2HG PRO 24 -9.979 1.409 -9.223 163 1HD PRO 24 1HD PRO 24 -8.373 1.145 -6.861 164 2HD PRO 24 2HD PRO 24 -7.873 0.823 -8.510 165 H HIS 25 H HIS 25 -10.145 3.615 -6.319 166 HA HIS 25 HA HIS 25 -9.698 6.118 -4.995 167 1HB HIS 25 1HB HIS 25 -11.634 5.595 -3.722 168 2HB HIS 25 2HB HIS 25 -11.956 5.128 -5.381 169 HD1 HIS 25 HD1 HIS 25 -13.605 3.877 -3.108 170 HD2 HIS 25 HD2 HIS 25 -10.103 2.164 -4.656 171 HE1 HIS 25 HE1 HIS 25 -13.727 1.386 -2.566 172 HE2 HIS 25 HE2 HIS 25 -11.574 0.379 -3.589 173 H VAL 26 H VAL 26 -7.465 5.838 -4.321 174 HA VAL 26 HA VAL 26 -6.986 3.711 -2.402 175 HB VAL 26 HB VAL 26 -4.664 4.607 -2.478 176 1HG1 VAL 26 1HG1 VAL 26 -6.000 3.794 -5.075 177 2HG1 VAL 26 2HG1 VAL 26 -4.236 3.891 -4.861 178 3HG1 VAL 26 3HG1 VAL 26 -5.189 2.747 -3.885 179 1HG2 VAL 26 1HG2 VAL 26 -5.543 6.952 -3.203 180 2HG2 VAL 26 2HG2 VAL 26 -3.999 6.358 -3.861 181 3HG2 VAL 26 3HG2 VAL 26 -5.478 6.278 -4.849 182 H THR 27 H THR 27 -6.739 4.012 -0.198 183 HA THR 27 HA THR 27 -6.597 6.709 0.844 184 HB THR 27 HB THR 27 -8.719 6.714 1.893 185 HG1 THR 27 HG1 THR 27 -9.842 4.527 2.006 186 1HG2 THR 27 1HG2 THR 27 -9.120 5.007 -0.620 187 2HG2 THR 27 2HG2 THR 27 -10.433 5.801 0.283 188 3HG2 THR 27 3HG2 THR 27 -9.198 6.784 -0.540 189 HA PRO 28 HA PRO 28 -4.572 4.742 4.080 190 1HB PRO 28 1HB PRO 28 -5.331 6.080 6.338 191 2HB PRO 28 2HB PRO 28 -4.155 6.709 5.201 192 1HG PRO 28 1HG PRO 28 -6.970 7.521 5.597 193 2HG PRO 28 2HG PRO 28 -5.679 8.392 4.793 194 1HD PRO 28 1HD PRO 28 -7.826 6.962 3.538 195 2HD PRO 28 2HD PRO 28 -6.472 7.734 2.737 196 H LYS 29 H LYS 29 -6.832 3.313 3.230 197 HA LYS 29 HA LYS 29 -6.988 1.458 5.273 198 1HB LYS 29 1HB LYS 29 -8.335 3.521 6.224 199 2HB LYS 29 2HB LYS 29 -9.611 2.913 5.189 200 1HG LYS 29 1HG LYS 29 -8.276 0.772 6.736 201 2HG LYS 29 2HG LYS 29 -9.014 1.988 7.759 202 1HD LYS 29 1HD LYS 29 -10.777 1.263 5.520 203 2HD LYS 29 2HD LYS 29 -10.331 -0.146 6.461 204 1HE LYS 29 1HE LYS 29 -11.986 0.478 7.899 205 2HE LYS 29 2HE LYS 29 -10.877 1.715 8.456 206 1HZ LYS 29 1HZ LYS 29 -12.542 2.215 6.115 207 2HZ LYS 29 2HZ LYS 29 -13.170 2.390 7.612 208 3HZ LYS 29 3HZ LYS 29 -11.886 3.290 7.155 209 H GLU 30 H GLU 30 -8.849 3.104 2.645 210 HA GLU 30 HA GLU 30 -10.072 0.728 1.807 211 1HB GLU 30 1HB GLU 30 -10.969 2.997 1.325 212 2HB GLU 30 2HB GLU 30 -9.591 3.334 0.296 213 1HG GLU 30 1HG GLU 30 -10.637 2.348 -1.454 214 2HG GLU 30 2HG GLU 30 -10.691 0.830 -0.581 215 H CYS 31 H CYS 31 -7.129 2.542 0.770 216 HA CYS 31 HA CYS 31 -6.571 0.920 -1.434 217 1HB CYS 31 1HB CYS 31 -5.420 2.871 -1.557 218 2HB CYS 31 2HB CYS 31 -5.124 2.952 0.168 219 H ASN 32 H ASN 32 -5.996 0.674 2.075 220 HA ASN 32 HA ASN 32 -4.223 -1.555 1.691 221 1HB ASN 32 1HB ASN 32 -3.612 -0.111 3.523 222 2HB ASN 32 2HB ASN 32 -5.260 -0.024 4.115 223 2HD2 ASN 32 2HD2 ASN 32 -5.295 -0.917 6.035 224 1HD2 ASN 32 1HD2 ASN 32 -4.656 -2.464 6.480 225 H ASN 33 H ASN 33 -7.522 -1.035 1.563 226 HA ASN 33 HA ASN 33 -8.240 -3.369 3.100 227 1HB ASN 33 1HB ASN 33 -9.699 -1.391 3.315 228 2HB ASN 33 2HB ASN 33 -9.892 -1.289 1.577 229 2HD2 ASN 33 2HD2 ASN 33 -10.983 -2.998 0.460 230 1HD2 ASN 33 1HD2 ASN 33 -12.211 -3.933 1.245 231 H ARG 34 H ARG 34 -8.117 -2.037 -0.246 232 HA ARG 34 HA ARG 34 -9.490 -4.098 -1.474 233 1HB ARG 34 1HB ARG 34 -8.495 -1.707 -2.303 234 2HB ARG 34 2HB ARG 34 -7.235 -2.743 -2.944 235 1HG ARG 34 1HG ARG 34 -10.226 -3.037 -3.499 236 2HG ARG 34 2HG ARG 34 -9.046 -2.373 -4.612 237 1HD ARG 34 1HD ARG 34 -7.800 -4.697 -4.239 238 2HD ARG 34 2HD ARG 34 -9.373 -5.242 -3.693 239 HE ARG 34 HE ARG 34 -9.945 -3.958 -6.083 240 1HH1 ARG 34 1HH1 ARG 34 -7.723 -6.524 -5.158 241 2HH1 ARG 34 2HH1 ARG 34 -7.761 -7.292 -6.710 242 1HH2 ARG 34 1HH2 ARG 34 -9.996 -4.970 -8.131 243 2HH2 ARG 34 2HH2 ARG 34 -9.063 -6.402 -8.413 244 H GLY 35 H GLY 35 -6.257 -3.875 -0.136 245 1HA GLY 35 1HA GLY 35 -5.575 -6.478 -1.367 246 2HA GLY 35 2HA GLY 35 -5.195 -6.025 0.282 247 H CYS 36 H CYS 36 -3.767 -4.022 0.584 248 HA CYS 36 HA CYS 36 -1.395 -4.359 -0.730 249 1HB CYS 36 1HB CYS 36 -3.119 -3.132 -2.497 250 2HB CYS 36 2HB CYS 36 -2.266 -1.770 -1.797 251 H CYS 37 H CYS 37 -0.605 -1.486 -0.730 252 HA CYS 37 HA CYS 37 -1.141 -0.851 2.079 253 1HB CYS 37 1HB CYS 37 1.464 -1.112 0.649 254 2HB CYS 37 2HB CYS 37 1.308 0.168 1.835 255 H PHE 38 H PHE 38 -1.237 1.454 2.532 256 HA PHE 38 HA PHE 38 -1.530 3.058 0.091 257 1HB PHE 38 1HB PHE 38 -3.630 2.716 1.370 258 2HB PHE 38 2HB PHE 38 -2.824 3.098 2.878 259 HD1 PHE 38 HD1 PHE 38 -4.138 4.514 -0.254 260 HD2 PHE 38 HD2 PHE 38 -2.490 5.370 3.562 261 HE1 PHE 38 HE1 PHE 38 -4.817 6.917 -0.500 262 HE2 PHE 38 HE2 PHE 38 -3.169 7.774 3.316 263 HZ PHE 38 HZ PHE 38 -4.325 8.519 1.288 264 H ASP 39 H ASP 39 -1.327 5.553 0.695 265 HA ASP 39 HA ASP 39 0.290 6.267 2.816 266 1HB ASP 39 1HB ASP 39 2.110 5.074 1.748 267 2HB ASP 39 2HB ASP 39 1.713 5.740 0.176 268 H SER 40 H SER 40 0.438 8.603 2.857 269 HA SER 40 HA SER 40 -0.449 9.920 0.419 270 1HB SER 40 1HB SER 40 -1.906 11.410 1.728 271 2HB SER 40 2HB SER 40 -2.387 9.739 1.949 272 HG SER 40 HG SER 40 -0.674 11.199 3.775 273 H ARG 41 H ARG 41 2.148 9.423 2.133 274 HA ARG 41 HA ARG 41 2.864 11.808 3.294 275 1HB ARG 41 1HB ARG 41 4.020 9.366 3.121 276 2HB ARG 41 2HB ARG 41 4.960 10.162 1.875 277 1HG ARG 41 1HG ARG 41 5.349 12.056 3.628 278 2HG ARG 41 2HG ARG 41 4.740 10.919 4.814 279 1HD ARG 41 1HD ARG 41 6.535 9.283 3.629 280 2HD ARG 41 2HD ARG 41 7.290 10.807 3.209 281 HE ARG 41 HE ARG 41 7.204 9.607 5.841 282 1HH1 ARG 41 1HH1 ARG 41 7.182 12.720 4.202 283 2HH1 ARG 41 2HH1 ARG 41 7.860 13.577 5.546 284 1HH2 ARG 41 1HH2 ARG 41 8.098 10.736 7.615 285 2HH2 ARG 41 2HH2 ARG 41 8.384 12.441 7.501 286 H ILE 42 H ILE 42 3.445 10.529 -0.055 287 HA ILE 42 HA ILE 42 3.667 13.285 -0.968 288 HB ILE 42 HB ILE 42 5.604 12.056 -2.459 289 1HG1 ILE 42 1HG1 ILE 42 7.165 11.029 -0.822 290 2HG1 ILE 42 2HG1 ILE 42 5.908 11.083 0.398 291 1HG2 ILE 42 1HG2 ILE 42 5.816 13.790 0.012 292 2HG2 ILE 42 2HG2 ILE 42 7.188 13.417 -1.060 293 3HG2 ILE 42 3HG2 ILE 42 5.779 14.303 -1.692 294 1HD1 ILE 42 1HD1 ILE 42 4.986 9.860 -2.131 295 2HD1 ILE 42 2HD1 ILE 42 6.340 8.985 -1.375 296 3HD1 ILE 42 3HD1 ILE 42 4.838 9.263 -0.460 297 HA PRO 43 HA PRO 43 1.099 11.524 -3.982 298 1HB PRO 43 1HB PRO 43 0.820 13.700 -5.611 299 2HB PRO 43 2HB PRO 43 -0.131 13.463 -4.158 300 1HG PRO 43 1HG PRO 43 2.136 15.307 -4.609 301 2HG PRO 43 2HG PRO 43 0.922 15.348 -3.346 302 1HD PRO 43 1HD PRO 43 3.635 14.454 -3.090 303 2HD PRO 43 2HD PRO 43 2.389 14.387 -1.860 304 H GLY 44 H GLY 44 3.976 13.254 -4.974 305 1HA GLY 44 1HA GLY 44 5.591 12.559 -6.408 306 2HA GLY 44 2HA GLY 44 4.269 12.613 -7.557 307 H VAL 45 H VAL 45 4.817 10.356 -4.772 308 HA VAL 45 HA VAL 45 5.388 8.210 -6.635 309 HB VAL 45 HB VAL 45 6.319 7.131 -4.878 310 1HG1 VAL 45 1HG1 VAL 45 7.231 9.515 -5.050 311 2HG1 VAL 45 2HG1 VAL 45 6.306 9.858 -3.568 312 3HG1 VAL 45 3HG1 VAL 45 7.586 8.622 -3.551 313 1HG2 VAL 45 1HG2 VAL 45 4.155 8.367 -3.165 314 2HG2 VAL 45 2HG2 VAL 45 4.433 6.651 -3.547 315 3HG2 VAL 45 3HG2 VAL 45 5.548 7.512 -2.460 316 HA PRO 46 HA PRO 46 1.480 6.373 -6.396 317 1HB PRO 46 1HB PRO 46 1.946 3.698 -6.088 318 2HB PRO 46 2HB PRO 46 2.112 4.529 -7.621 319 1HG PRO 46 1HG PRO 46 4.229 3.570 -5.794 320 2HG PRO 46 2HG PRO 46 4.354 4.006 -7.487 321 1HD PRO 46 1HD PRO 46 5.201 5.578 -5.242 322 2HD PRO 46 2HD PRO 46 5.220 6.061 -6.927 323 H TRP 47 H TRP 47 0.569 7.433 -4.627 324 HA TRP 47 HA TRP 47 0.935 7.085 -2.056 325 1HB TRP 47 1HB TRP 47 -1.540 7.390 -3.672 326 2HB TRP 47 2HB TRP 47 -1.742 6.976 -1.981 327 HD1 TRP 47 HD1 TRP 47 1.156 9.303 -2.984 328 HE1 TRP 47 HE1 TRP 47 0.789 11.747 -2.059 329 HE3 TRP 47 HE3 TRP 47 -3.591 8.530 -1.334 330 HZ2 TRP 47 HZ2 TRP 47 -1.397 13.054 -0.770 331 HZ3 TRP 47 HZ3 TRP 47 -4.771 10.442 -0.253 332 HH2 TRP 47 HH2 TRP 47 -3.749 12.643 0.040 333 H CYS 48 H CYS 48 -1.011 4.782 -4.092 334 HA CYS 48 HA CYS 48 -0.930 2.880 -1.908 335 1HB CYS 48 1HB CYS 48 -3.001 3.438 -3.332 336 2HB CYS 48 2HB CYS 48 -2.252 2.467 -4.583 337 H PHE 49 H PHE 49 0.540 1.196 -1.872 338 HA PHE 49 HA PHE 49 1.684 0.303 -4.378 339 1HB PHE 49 1HB PHE 49 4.000 0.519 -3.185 340 2HB PHE 49 2HB PHE 49 3.286 2.016 -3.751 341 HD1 PHE 49 HD1 PHE 49 3.459 -0.122 -0.701 342 HD2 PHE 49 HD2 PHE 49 3.083 3.797 -2.282 343 HE1 PHE 49 HE1 PHE 49 3.613 0.828 1.617 344 HE2 PHE 49 HE2 PHE 49 3.238 4.747 0.036 345 HZ PHE 49 HZ PHE 49 3.500 3.251 1.958 346 H LYS 50 H LYS 50 3.081 -1.699 -4.020 347 HA LYS 50 HA LYS 50 1.662 -3.485 -2.363 348 1HB LYS 50 1HB LYS 50 4.348 -3.948 -3.680 349 2HB LYS 50 2HB LYS 50 3.165 -5.151 -3.208 350 1HG LYS 50 1HG LYS 50 1.521 -4.005 -4.824 351 2HG LYS 50 2HG LYS 50 2.874 -3.053 -5.403 352 1HD LYS 50 1HD LYS 50 2.939 -4.835 -6.911 353 2HD LYS 50 2HD LYS 50 4.060 -5.412 -5.693 354 1HE LYS 50 1HE LYS 50 2.509 -6.954 -4.792 355 2HE LYS 50 2HE LYS 50 1.121 -6.072 -5.396 356 1HZ LYS 50 1HZ LYS 50 2.421 -6.707 -7.641 357 2HZ LYS 50 2HZ LYS 50 2.731 -8.018 -6.717 358 3HZ LYS 50 3HZ LYS 50 1.188 -7.572 -7.010 359 HA PRO 51 HA PRO 51 3.940 -3.335 1.300 360 1HB PRO 51 1HB PRO 51 4.048 -5.935 2.136 361 2HB PRO 51 2HB PRO 51 2.627 -4.927 2.321 362 1HG PRO 51 1HG PRO 51 3.112 -7.111 0.389 363 2HG PRO 51 2HG PRO 51 1.589 -6.393 0.873 364 1HD PRO 51 1HD PRO 51 3.008 -5.920 -1.574 365 2HD PRO 51 2HD PRO 51 1.546 -5.116 -1.038 366 H LEU 52 H LEU 52 5.969 -2.738 1.684 367 HA LEU 52 HA LEU 52 8.041 -3.251 0.112 368 1HB LEU 52 1HB LEU 52 8.220 -1.712 1.896 369 2HB LEU 52 2HB LEU 52 7.951 -2.951 3.106 370 HG LEU 52 HG LEU 52 10.394 -2.819 1.318 371 1HD1 LEU 52 1HD1 LEU 52 9.733 -1.424 3.829 372 2HD1 LEU 52 2HD1 LEU 52 11.300 -2.268 3.828 373 3HD1 LEU 52 3HD1 LEU 52 10.946 -1.048 2.581 374 1HD2 LEU 52 1HD2 LEU 52 9.378 -4.799 3.214 375 2HD2 LEU 52 2HD2 LEU 52 10.650 -4.935 1.977 376 3HD2 LEU 52 3HD2 LEU 52 11.036 -4.265 3.580 377 H GLN 53 H GLN 53 9.311 -4.929 -0.529 378 HA GLN 53 HA GLN 53 8.547 -7.506 0.135 379 1HB GLN 53 1HB GLN 53 10.837 -8.063 -1.004 380 2HB GLN 53 2HB GLN 53 9.582 -7.297 -1.958 381 1HG GLN 53 1HG GLN 53 11.360 -5.397 -0.502 382 2HG GLN 53 2HG GLN 53 12.169 -6.356 -1.727 383 2HE2 GLN 53 2HE2 GLN 53 11.267 -3.468 -1.449 384 1HE2 GLN 53 1HE2 GLN 53 10.450 -3.100 -2.931 385 H GLU 54 H GLU 54 8.558 -7.436 2.529 386 HA GLU 54 HA GLU 54 10.683 -6.855 4.081 387 1HB GLU 54 1HB GLU 54 9.584 -8.044 5.805 388 2HB GLU 54 2HB GLU 54 8.284 -7.597 4.718 389 1HG GLU 54 1HG GLU 54 7.805 -9.859 5.017 390 2HG GLU 54 2HG GLU 54 8.805 -9.947 3.581 391 H ALA 55 H ALA 55 12.760 -7.586 4.152 392 HA ALA 55 HA ALA 55 13.326 -10.365 4.141 393 1HB ALA 55 1HB ALA 55 12.975 -10.090 1.727 394 2HB ALA 55 2HB ALA 55 14.698 -10.373 2.071 395 3HB ALA 55 3HB ALA 55 14.123 -8.730 1.698 396 H GLU 56 H GLU 56 13.722 -8.414 6.057 397 HA GLU 56 HA GLU 56 15.205 -7.234 7.170 398 1HB GLU 56 1HB GLU 56 15.816 -9.730 7.462 399 2HB GLU 56 2HB GLU 56 17.169 -9.422 6.391 400 1HG GLU 56 1HG GLU 56 18.326 -8.749 8.227 401 2HG GLU 56 2HG GLU 56 17.331 -7.306 8.221 402 H CYS 57 H CYS 57 14.992 -5.885 4.875 403 HA CYS 57 HA CYS 57 17.768 -5.218 4.263 404 1HB CYS 57 1HB CYS 57 15.771 -6.237 2.409 405 2HB CYS 57 2HB CYS 57 16.356 -4.658 1.924 406 H THR 58 H THR 58 17.974 -3.178 5.132 407 HA THR 58 HA THR 58 16.459 -1.028 4.191 408 HB THR 58 HB THR 58 14.642 -2.041 5.565 409 HG1 THR 58 HG1 THR 58 14.601 0.221 5.648 410 1HG2 THR 58 1HG2 THR 58 16.783 -2.561 7.417 411 2HG2 THR 58 2HG2 THR 58 15.706 -1.366 8.179 412 3HG2 THR 58 3HG2 THR 58 15.054 -2.929 7.628 413 H PHE 59 H PHE 59 18.624 -0.341 3.849 414 HA PHE 59 HA PHE 59 20.472 0.743 4.364 415 1HB PHE 59 1HB PHE 59 18.520 2.049 5.622 416 2HB PHE 59 2HB PHE 59 19.188 1.341 7.080 417 HD1 PHE 59 HD1 PHE 59 20.780 2.863 4.059 418 HD2 PHE 59 HD2 PHE 59 20.309 2.958 8.275 419 HE1 PHE 59 HE1 PHE 59 22.448 4.734 4.204 420 HE2 PHE 59 HE2 PHE 59 21.976 4.828 8.420 421 HZ PHE 59 HZ PHE 59 23.026 5.694 6.382 No H/Q in entry = 421 Start of MODEL 30 1 H GLU 1 H GLU 1 7.903 -18.849 18.060 2 HA GLU 1 HA GLU 1 6.269 -17.434 17.452 3 1HB GLU 1 1HB GLU 1 7.149 -15.792 19.855 4 2HB GLU 1 2HB GLU 1 6.019 -15.163 18.673 5 1HG GLU 1 1HG GLU 1 4.592 -16.119 20.294 6 2HG GLU 1 2HG GLU 1 4.669 -17.368 19.067 7 H GLU 2 H GLU 2 6.370 -15.771 15.831 8 HA GLU 2 HA GLU 2 9.099 -15.102 15.176 9 1HB GLU 2 1HB GLU 2 7.109 -16.054 13.613 10 2HB GLU 2 2HB GLU 2 6.805 -14.342 13.392 11 1HG GLU 2 1HG GLU 2 8.889 -13.955 12.368 12 2HG GLU 2 2HG GLU 2 9.649 -15.329 13.146 13 H TYR 3 H TYR 3 9.260 -12.791 13.977 14 HA TYR 3 HA TYR 3 7.760 -10.837 15.572 15 1HB TYR 3 1HB TYR 3 9.835 -9.818 16.200 16 2HB TYR 3 2HB TYR 3 10.271 -11.515 16.231 17 HD1 TYR 3 HD1 TYR 3 10.563 -8.366 14.322 18 HD2 TYR 3 HD2 TYR 3 11.806 -12.449 14.610 19 HE1 TYR 3 HE1 TYR 3 12.419 -7.927 12.640 20 HE2 TYR 3 HE2 TYR 3 13.658 -11.997 12.927 21 HH TYR 3 HH TYR 3 14.865 -10.325 11.990 22 H VAL 4 H VAL 4 7.580 -8.712 14.578 23 HA VAL 4 HA VAL 4 8.488 -8.514 11.831 24 HB VAL 4 HB VAL 4 6.264 -8.003 10.989 25 1HG1 VAL 4 1HG1 VAL 4 7.091 -10.297 10.786 26 2HG1 VAL 4 2HG1 VAL 4 6.399 -10.703 12.375 27 3HG1 VAL 4 3HG1 VAL 4 5.326 -10.281 11.019 28 1HG2 VAL 4 1HG2 VAL 4 5.578 -7.714 13.697 29 2HG2 VAL 4 2HG2 VAL 4 4.496 -7.588 12.289 30 3HG2 VAL 4 3HG2 VAL 4 4.678 -9.143 13.135 31 H GLY 5 H GLY 5 6.135 -6.320 11.874 32 1HA GLY 5 1HA GLY 5 7.572 -4.069 12.088 33 2HA GLY 5 2HA GLY 5 7.233 -4.420 13.771 34 H LEU 6 H LEU 6 4.693 -5.397 13.881 35 HA LEU 6 HA LEU 6 2.722 -4.527 12.301 36 1HB LEU 6 1HB LEU 6 2.931 -5.566 14.830 37 2HB LEU 6 2HB LEU 6 2.191 -4.008 15.141 38 HG LEU 6 HG LEU 6 1.005 -5.642 12.949 39 1HD1 LEU 6 1HD1 LEU 6 1.522 -7.260 14.811 40 2HD1 LEU 6 2HD1 LEU 6 0.421 -6.314 15.840 41 3HD1 LEU 6 3HD1 LEU 6 -0.197 -7.113 14.375 42 1HD2 LEU 6 1HD2 LEU 6 -0.051 -3.806 15.107 43 2HD2 LEU 6 2HD2 LEU 6 0.001 -3.533 13.349 44 3HD2 LEU 6 3HD2 LEU 6 -1.101 -4.755 14.027 45 H SER 7 H SER 7 2.904 -2.620 11.161 46 HA SER 7 HA SER 7 1.973 -0.339 12.235 47 1HB SER 7 1HB SER 7 4.220 1.039 12.213 48 2HB SER 7 2HB SER 7 3.761 0.152 13.652 49 HG SER 7 HG SER 7 5.121 -1.588 12.119 50 H ALA 8 H ALA 8 5.063 0.006 10.501 51 HA ALA 8 HA ALA 8 3.566 0.183 7.977 52 1HB ALA 8 1HB ALA 8 4.459 2.249 7.503 53 2HB ALA 8 2HB ALA 8 5.936 1.951 8.451 54 3HB ALA 8 3HB ALA 8 4.417 2.373 9.278 55 H ASN 9 H ASN 9 5.740 -1.562 9.744 56 HA ASN 9 HA ASN 9 8.017 -1.792 8.379 57 1HB ASN 9 1HB ASN 9 7.675 -3.188 10.314 58 2HB ASN 9 2HB ASN 9 6.230 -3.915 9.640 59 2HD2 ASN 9 2HD2 ASN 9 9.723 -3.572 9.173 60 1HD2 ASN 9 1HD2 ASN 9 10.010 -5.117 8.446 61 H GLN 10 H GLN 10 4.749 -2.625 7.337 62 HA GLN 10 HA GLN 10 5.755 -4.198 5.132 63 1HB GLN 10 1HB GLN 10 3.564 -4.571 6.673 64 2HB GLN 10 2HB GLN 10 2.833 -3.575 5.430 65 1HG GLN 10 1HG GLN 10 2.652 -5.447 4.160 66 2HG GLN 10 2HG GLN 10 4.393 -5.402 3.968 67 2HE2 GLN 10 2HE2 GLN 10 2.316 -6.062 6.781 68 1HE2 GLN 10 1HE2 GLN 10 2.928 -7.641 7.142 69 H CYS 11 H CYS 11 4.189 -1.070 5.896 70 HA CYS 11 HA CYS 11 4.436 -0.383 3.058 71 1HB CYS 11 1HB CYS 11 2.717 1.259 4.839 72 2HB CYS 11 2HB CYS 11 2.543 0.876 3.138 73 H ALA 12 H ALA 12 6.750 -0.356 4.603 74 HA ALA 12 HA ALA 12 7.057 2.490 5.280 75 1HB ALA 12 1HB ALA 12 9.074 1.507 6.615 76 2HB ALA 12 2HB ALA 12 7.433 1.312 7.277 77 3HB ALA 12 3HB ALA 12 8.223 -0.046 6.441 78 H VAL 13 H VAL 13 7.136 2.175 2.656 79 HA VAL 13 HA VAL 13 9.860 1.487 1.886 80 HB VAL 13 HB VAL 13 7.947 2.449 -0.135 81 1HG1 VAL 13 1HG1 VAL 13 10.158 0.548 0.143 82 2HG1 VAL 13 2HG1 VAL 13 8.795 -0.107 -0.796 83 3HG1 VAL 13 3HG1 VAL 13 9.567 1.418 -1.293 84 1HG2 VAL 13 1HG2 VAL 13 7.309 0.102 1.646 85 2HG2 VAL 13 2HG2 VAL 13 6.236 1.387 1.040 86 3HG2 VAL 13 3HG2 VAL 13 6.808 0.111 -0.062 87 HA PRO 14 HA PRO 14 11.040 5.636 1.637 88 1HB PRO 14 1HB PRO 14 13.067 5.519 -0.193 89 2HB PRO 14 2HB PRO 14 13.267 5.072 1.490 90 1HG PRO 14 1HG PRO 14 13.057 3.319 -0.881 91 2HG PRO 14 2HG PRO 14 13.672 2.937 0.716 92 1HD PRO 14 1HD PRO 14 11.118 2.199 -0.362 93 2HD PRO 14 2HD PRO 14 11.687 1.919 1.272 94 H ALA 15 H ALA 15 9.227 4.228 -0.615 95 HA ALA 15 HA ALA 15 7.806 5.224 -2.041 96 1HB ALA 15 1HB ALA 15 8.831 7.450 -0.746 97 2HB ALA 15 2HB ALA 15 7.543 7.470 -1.974 98 3HB ALA 15 3HB ALA 15 9.232 7.769 -2.450 99 H LYS 16 H LYS 16 11.326 5.326 -2.330 100 HA LYS 16 HA LYS 16 11.187 5.438 -5.220 101 1HB LYS 16 1HB LYS 16 13.613 5.502 -5.118 102 2HB LYS 16 2HB LYS 16 12.924 6.701 -4.041 103 1HG LYS 16 1HG LYS 16 14.440 5.773 -2.564 104 2HG LYS 16 2HG LYS 16 13.103 4.679 -2.263 105 1HD LYS 16 1HD LYS 16 14.503 2.983 -2.831 106 2HD LYS 16 2HD LYS 16 14.362 3.531 -4.489 107 1HE LYS 16 1HE LYS 16 16.333 4.995 -4.224 108 2HE LYS 16 2HE LYS 16 16.433 4.609 -2.517 109 1HZ LYS 16 1HZ LYS 16 16.527 2.200 -3.472 110 2HZ LYS 16 2HZ LYS 16 17.103 2.960 -4.798 111 3HZ LYS 16 3HZ LYS 16 17.874 3.117 -3.367 112 H ASP 17 H ASP 17 10.318 3.149 -3.107 113 HA ASP 17 HA ASP 17 11.445 1.061 -4.797 114 1HB ASP 17 1HB ASP 17 11.802 1.423 -1.975 115 2HB ASP 17 2HB ASP 17 10.716 0.060 -2.164 116 H ARG 18 H ARG 18 8.829 2.732 -4.613 117 HA ARG 18 HA ARG 18 6.893 0.912 -3.654 118 1HB ARG 18 1HB ARG 18 6.365 3.248 -5.541 119 2HB ARG 18 2HB ARG 18 5.276 2.570 -4.347 120 1HG ARG 18 1HG ARG 18 7.921 3.685 -3.404 121 2HG ARG 18 2HG ARG 18 6.657 4.812 -3.851 122 1HD ARG 18 1HD ARG 18 5.306 2.916 -2.270 123 2HD ARG 18 2HD ARG 18 6.857 3.080 -1.470 124 HE ARG 18 HE ARG 18 5.477 5.599 -2.223 125 1HH1 ARG 18 1HH1 ARG 18 6.312 3.290 0.298 126 2HH1 ARG 18 2HH1 ARG 18 5.965 4.385 1.594 127 1HH2 ARG 18 1HH2 ARG 18 5.020 7.045 -0.513 128 2HH2 ARG 18 2HH2 ARG 18 5.225 6.536 1.130 129 H VAL 19 H VAL 19 5.683 -0.612 -4.820 130 HA VAL 19 HA VAL 19 6.561 -1.058 -7.558 131 HB VAL 19 HB VAL 19 4.808 -2.753 -5.772 132 1HG1 VAL 19 1HG1 VAL 19 6.205 -3.216 -8.409 133 2HG1 VAL 19 2HG1 VAL 19 5.780 -4.569 -7.333 134 3HG1 VAL 19 3HG1 VAL 19 4.504 -3.506 -7.972 135 1HG2 VAL 19 1HG2 VAL 19 7.393 -2.116 -5.187 136 2HG2 VAL 19 2HG2 VAL 19 6.609 -3.651 -4.744 137 3HG2 VAL 19 3HG2 VAL 19 7.622 -3.558 -6.205 138 H ASP 20 H ASP 20 4.240 0.764 -5.986 139 HA ASP 20 HA ASP 20 2.312 1.610 -6.517 140 1HB ASP 20 1HB ASP 20 3.367 2.605 -8.409 141 2HB ASP 20 2HB ASP 20 3.508 1.076 -9.252 142 H CYS 21 H CYS 21 0.658 0.218 -5.778 143 HA CYS 21 HA CYS 21 0.186 -2.292 -6.987 144 1HB CYS 21 1HB CYS 21 -0.391 -1.205 -4.572 145 2HB CYS 21 2HB CYS 21 -1.953 -1.059 -5.352 146 H GLY 22 H GLY 22 -0.824 1.038 -7.532 147 1HA GLY 22 1HA GLY 22 -2.102 0.407 -9.978 148 2HA GLY 22 2HA GLY 22 -2.056 1.963 -9.173 149 H TYR 23 H TYR 23 -3.762 2.610 -7.762 150 HA TYR 23 HA TYR 23 -6.165 0.971 -8.072 151 1HB TYR 23 1HB TYR 23 -4.658 1.899 -5.606 152 2HB TYR 23 2HB TYR 23 -6.406 1.991 -5.520 153 HD1 TYR 23 HD1 TYR 23 -7.671 -0.239 -6.277 154 HD2 TYR 23 HD2 TYR 23 -3.617 -0.064 -4.920 155 HE1 TYR 23 HE1 TYR 23 -7.764 -2.703 -5.660 156 HE2 TYR 23 HE2 TYR 23 -3.724 -2.529 -4.307 157 HH TYR 23 HH TYR 23 -6.694 -4.242 -4.241 158 HA PRO 24 HA PRO 24 -7.917 4.854 -8.846 159 1HB PRO 24 1HB PRO 24 -10.572 4.277 -8.556 160 2HB PRO 24 2HB PRO 24 -9.665 3.910 -10.009 161 1HG PRO 24 1HG PRO 24 -10.583 2.072 -7.884 162 2HG PRO 24 2HG PRO 24 -10.065 1.693 -9.515 163 1HD PRO 24 1HD PRO 24 -8.550 1.335 -7.106 164 2HD PRO 24 2HD PRO 24 -7.991 1.066 -8.745 165 H HIS 25 H HIS 25 -10.043 3.557 -6.347 166 HA HIS 25 HA HIS 25 -9.747 6.097 -4.985 167 1HB HIS 25 1HB HIS 25 -11.698 5.518 -3.776 168 2HB HIS 25 2HB HIS 25 -11.989 5.079 -5.447 169 HD1 HIS 25 HD1 HIS 25 -13.550 3.787 -3.048 170 HD2 HIS 25 HD2 HIS 25 -10.200 2.101 -4.929 171 HE1 HIS 25 HE1 HIS 25 -13.667 1.277 -2.602 172 HE2 HIS 25 HE2 HIS 25 -11.613 0.289 -3.828 173 H VAL 26 H VAL 26 -7.585 5.917 -4.189 174 HA VAL 26 HA VAL 26 -7.112 3.693 -2.356 175 HB VAL 26 HB VAL 26 -4.773 4.536 -2.418 176 1HG1 VAL 26 1HG1 VAL 26 -5.518 2.712 -3.886 177 2HG1 VAL 26 2HG1 VAL 26 -6.000 3.898 -5.123 178 3HG1 VAL 26 3HG1 VAL 26 -4.285 3.720 -4.682 179 1HG2 VAL 26 1HG2 VAL 26 -5.770 6.894 -3.264 180 2HG2 VAL 26 2HG2 VAL 26 -4.094 6.376 -3.568 181 3HG2 VAL 26 3HG2 VAL 26 -5.331 6.180 -4.834 182 H THR 27 H THR 27 -6.829 3.982 -0.148 183 HA THR 27 HA THR 27 -6.646 6.666 0.910 184 HB THR 27 HB THR 27 -8.773 6.724 1.941 185 HG1 THR 27 HG1 THR 27 -9.935 4.605 2.146 186 1HG2 THR 27 1HG2 THR 27 -9.207 5.015 -0.566 187 2HG2 THR 27 2HG2 THR 27 -10.502 5.848 0.328 188 3HG2 THR 27 3HG2 THR 27 -9.238 6.793 -0.496 189 HA PRO 28 HA PRO 28 -4.683 4.628 4.140 190 1HB PRO 28 1HB PRO 28 -5.406 5.982 6.401 191 2HB PRO 28 2HB PRO 28 -4.210 6.579 5.268 192 1HG PRO 28 1HG PRO 28 -7.001 7.473 5.660 193 2HG PRO 28 2HG PRO 28 -5.683 8.307 4.861 194 1HD PRO 28 1HD PRO 28 -7.868 6.945 3.598 195 2HD PRO 28 2HD PRO 28 -6.490 7.679 2.802 196 H LYS 29 H LYS 29 -6.992 3.277 3.282 197 HA LYS 29 HA LYS 29 -7.208 1.430 5.337 198 1HB LYS 29 1HB LYS 29 -8.510 3.510 6.274 199 2HB LYS 29 2HB LYS 29 -9.780 2.978 5.191 200 1HG LYS 29 1HG LYS 29 -8.493 0.869 6.904 201 2HG LYS 29 2HG LYS 29 -9.518 2.031 7.722 202 1HD LYS 29 1HD LYS 29 -10.521 0.696 5.194 203 2HD LYS 29 2HD LYS 29 -10.563 -0.191 6.705 204 1HE LYS 29 1HE LYS 29 -12.229 1.135 7.604 205 2HE LYS 29 2HE LYS 29 -11.614 2.600 6.864 206 1HZ LYS 29 1HZ LYS 29 -12.468 0.936 4.831 207 2HZ LYS 29 2HZ LYS 29 -13.652 0.948 5.956 208 3HZ LYS 29 3HZ LYS 29 -13.127 2.352 5.308 209 H GLU 30 H GLU 30 -8.961 3.095 2.651 210 HA GLU 30 HA GLU 30 -10.218 0.727 1.814 211 1HB GLU 30 1HB GLU 30 -11.126 2.963 1.305 212 2HB GLU 30 2HB GLU 30 -9.709 3.355 0.352 213 1HG GLU 30 1HG GLU 30 -10.706 2.444 -1.466 214 2HG GLU 30 2HG GLU 30 -10.663 0.876 -0.683 215 H CYS 31 H CYS 31 -7.226 2.493 0.853 216 HA CYS 31 HA CYS 31 -6.664 0.863 -1.357 217 1HB CYS 31 1HB CYS 31 -5.521 2.828 -1.466 218 2HB CYS 31 2HB CYS 31 -5.205 2.887 0.257 219 H ASN 32 H ASN 32 -5.964 0.728 2.161 220 HA ASN 32 HA ASN 32 -4.224 -1.506 1.834 221 1HB ASN 32 1HB ASN 32 -3.552 -0.824 3.907 222 2HB ASN 32 2HB ASN 32 -4.788 0.418 3.876 223 2HD2 ASN 32 2HD2 ASN 32 -7.043 -0.350 4.377 224 1HD2 ASN 32 1HD2 ASN 32 -7.244 -1.456 5.695 225 H ASN 33 H ASN 33 -7.553 -1.030 1.668 226 HA ASN 33 HA ASN 33 -8.211 -3.464 3.084 227 1HB ASN 33 1HB ASN 33 -9.724 -1.598 3.511 228 2HB ASN 33 2HB ASN 33 -9.886 -1.253 1.800 229 2HD2 ASN 33 2HD2 ASN 33 -11.757 -1.805 1.016 230 1HD2 ASN 33 1HD2 ASN 33 -12.715 -3.186 1.436 231 H ARG 34 H ARG 34 -8.191 -1.892 -0.159 232 HA ARG 34 HA ARG 34 -9.587 -3.806 -1.533 233 1HB ARG 34 1HB ARG 34 -8.419 -1.427 -2.184 234 2HB ARG 34 2HB ARG 34 -7.242 -2.509 -2.901 235 1HG ARG 34 1HG ARG 34 -9.088 -1.834 -4.487 236 2HG ARG 34 2HG ARG 34 -8.932 -3.569 -4.294 237 1HD ARG 34 1HD ARG 34 -10.766 -2.371 -2.304 238 2HD ARG 34 2HD ARG 34 -11.287 -2.086 -3.953 239 HE ARG 34 HE ARG 34 -11.186 -4.667 -2.576 240 1HH1 ARG 34 1HH1 ARG 34 -11.192 -3.086 -5.719 241 2HH1 ARG 34 2HH1 ARG 34 -11.796 -4.475 -6.560 242 1HH2 ARG 34 1HH2 ARG 34 -11.983 -6.500 -3.684 243 2HH2 ARG 34 2HH2 ARG 34 -12.249 -6.430 -5.394 244 H GLY 35 H GLY 35 -6.288 -3.778 -0.264 245 1HA GLY 35 1HA GLY 35 -5.759 -6.352 -1.627 246 2HA GLY 35 2HA GLY 35 -5.388 -6.050 0.059 247 H CYS 36 H CYS 36 -3.900 -4.091 0.515 248 HA CYS 36 HA CYS 36 -1.489 -4.465 -0.663 249 1HB CYS 36 1HB CYS 36 -3.124 -3.103 -2.497 250 2HB CYS 36 2HB CYS 36 -2.067 -1.878 -1.824 251 H CYS 37 H CYS 37 -0.568 -1.656 -0.639 252 HA CYS 37 HA CYS 37 -1.233 -0.985 2.136 253 1HB CYS 37 1HB CYS 37 1.393 -1.255 0.767 254 2HB CYS 37 2HB CYS 37 1.219 0.079 1.891 255 H PHE 38 H PHE 38 -1.272 1.344 2.602 256 HA PHE 38 HA PHE 38 -1.603 2.934 0.156 257 1HB PHE 38 1HB PHE 38 -3.695 2.597 1.447 258 2HB PHE 38 2HB PHE 38 -2.880 2.976 2.951 259 HD1 PHE 38 HD1 PHE 38 -4.169 4.408 -0.190 260 HD2 PHE 38 HD2 PHE 38 -2.582 5.236 3.658 261 HE1 PHE 38 HE1 PHE 38 -4.849 6.813 -0.427 262 HE2 PHE 38 HE2 PHE 38 -3.262 7.641 3.420 263 HZ PHE 38 HZ PHE 38 -4.387 8.400 1.380 264 H ASP 39 H ASP 39 -1.391 5.429 0.739 265 HA ASP 39 HA ASP 39 0.205 6.183 2.849 266 1HB ASP 39 1HB ASP 39 2.013 4.908 1.810 267 2HB ASP 39 2HB ASP 39 1.687 5.622 0.244 268 H SER 40 H SER 40 0.372 8.517 2.827 269 HA SER 40 HA SER 40 -0.463 9.768 0.335 270 1HB SER 40 1HB SER 40 -1.939 11.291 1.546 271 2HB SER 40 2HB SER 40 -2.401 9.639 1.903 272 HG SER 40 HG SER 40 -0.644 11.195 3.597 273 H ARG 41 H ARG 41 2.135 9.290 2.001 274 HA ARG 41 HA ARG 41 2.897 11.651 3.162 275 1HB ARG 41 1HB ARG 41 4.050 9.169 2.742 276 2HB ARG 41 2HB ARG 41 5.029 10.167 1.686 277 1HG ARG 41 1HG ARG 41 4.868 11.734 3.987 278 2HG ARG 41 2HG ARG 41 4.910 10.112 4.649 279 1HD ARG 41 1HD ARG 41 7.125 9.907 4.179 280 2HD ARG 41 2HD ARG 41 6.859 10.313 2.495 281 HE ARG 41 HE ARG 41 7.721 12.421 2.966 282 1HH1 ARG 41 1HH1 ARG 41 6.253 11.151 5.901 283 2HH1 ARG 41 2HH1 ARG 41 6.677 12.528 6.862 284 1HH2 ARG 41 1HH2 ARG 41 8.281 14.238 4.233 285 2HH2 ARG 41 2HH2 ARG 41 7.839 14.296 5.907 286 H ILE 42 H ILE 42 3.452 10.424 -0.218 287 HA ILE 42 HA ILE 42 3.551 13.189 -1.114 288 HB ILE 42 HB ILE 42 5.562 12.097 -2.599 289 1HG1 ILE 42 1HG1 ILE 42 7.163 11.103 -0.992 290 2HG1 ILE 42 2HG1 ILE 42 5.915 11.082 0.237 291 1HG2 ILE 42 1HG2 ILE 42 5.366 14.357 -1.514 292 2HG2 ILE 42 2HG2 ILE 42 5.986 13.618 -0.018 293 3HG2 ILE 42 3HG2 ILE 42 6.994 13.637 -1.485 294 1HD1 ILE 42 1HD1 ILE 42 5.062 9.856 -2.325 295 2HD1 ILE 42 2HD1 ILE 42 6.419 9.019 -1.534 296 3HD1 ILE 42 3HD1 ILE 42 4.886 9.250 -0.660 297 HA PRO 43 HA PRO 43 1.114 11.316 -4.166 298 1HB PRO 43 1HB PRO 43 0.781 13.467 -5.820 299 2HB PRO 43 2HB PRO 43 -0.183 13.207 -4.379 300 1HG PRO 43 1HG PRO 43 2.021 15.129 -4.812 301 2HG PRO 43 2HG PRO 43 0.787 15.136 -3.569 302 1HD PRO 43 1HD PRO 43 3.527 14.345 -3.262 303 2HD PRO 43 2HD PRO 43 2.265 14.244 -2.051 304 H GLY 44 H GLY 44 3.955 13.124 -5.112 305 1HA GLY 44 1HA GLY 44 5.604 12.507 -6.535 306 2HA GLY 44 2HA GLY 44 4.293 12.452 -7.697 307 H VAL 45 H VAL 45 4.448 10.254 -4.882 308 HA VAL 45 HA VAL 45 5.311 8.100 -6.669 309 HB VAL 45 HB VAL 45 6.293 7.110 -4.892 310 1HG1 VAL 45 1HG1 VAL 45 6.133 10.004 -3.988 311 2HG1 VAL 45 2HG1 VAL 45 7.260 8.796 -3.325 312 3HG1 VAL 45 3HG1 VAL 45 7.369 9.269 -5.037 313 1HG2 VAL 45 1HG2 VAL 45 4.075 8.285 -3.206 314 2HG2 VAL 45 2HG2 VAL 45 4.434 6.576 -3.548 315 3HG2 VAL 45 3HG2 VAL 45 5.506 7.513 -2.480 316 HA PRO 46 HA PRO 46 1.467 6.141 -6.359 317 1HB PRO 46 1HB PRO 46 2.022 3.494 -5.970 318 2HB PRO 46 2HB PRO 46 2.158 4.282 -7.529 319 1HG PRO 46 1HG PRO 46 4.309 3.450 -5.680 320 2HG PRO 46 2HG PRO 46 4.416 3.837 -7.385 321 1HD PRO 46 1HD PRO 46 5.216 5.505 -5.194 322 2HD PRO 46 2HD PRO 46 5.215 5.936 -6.892 323 H TRP 47 H TRP 47 0.528 7.227 -4.620 324 HA TRP 47 HA TRP 47 0.931 6.930 -2.033 325 1HB TRP 47 1HB TRP 47 -1.558 7.215 -3.637 326 2HB TRP 47 2HB TRP 47 -1.737 6.858 -1.931 327 HD1 TRP 47 HD1 TRP 47 1.160 9.130 -3.057 328 HE1 TRP 47 HE1 TRP 47 0.827 11.605 -2.204 329 HE3 TRP 47 HE3 TRP 47 -3.562 8.445 -1.300 330 HZ2 TRP 47 HZ2 TRP 47 -1.326 12.968 -0.919 331 HZ3 TRP 47 HZ3 TRP 47 -4.709 10.400 -0.261 332 HH2 TRP 47 HH2 TRP 47 -3.667 12.601 -0.056 333 H CYS 48 H CYS 48 -1.048 4.620 -4.028 334 HA CYS 48 HA CYS 48 -0.945 2.739 -1.822 335 1HB CYS 48 1HB CYS 48 -3.056 3.305 -3.166 336 2HB CYS 48 2HB CYS 48 -2.357 2.347 -4.456 337 H PHE 49 H PHE 49 0.917 1.517 -1.754 338 HA PHE 49 HA PHE 49 1.866 0.456 -4.318 339 1HB PHE 49 1HB PHE 49 4.180 0.650 -3.112 340 2HB PHE 49 2HB PHE 49 3.464 2.156 -3.652 341 HD1 PHE 49 HD1 PHE 49 3.641 -0.040 -0.644 342 HD2 PHE 49 HD2 PHE 49 3.241 3.907 -2.150 343 HE1 PHE 49 HE1 PHE 49 3.783 0.866 1.693 344 HE2 PHE 49 HE2 PHE 49 3.383 4.813 0.187 345 HZ PHE 49 HZ PHE 49 3.652 3.281 2.080 346 H LYS 50 H LYS 50 3.240 -1.559 -4.030 347 HA LYS 50 HA LYS 50 1.839 -3.397 -2.435 348 1HB LYS 50 1HB LYS 50 4.419 -3.562 -4.007 349 2HB LYS 50 2HB LYS 50 3.746 -4.932 -3.146 350 1HG LYS 50 1HG LYS 50 1.526 -3.972 -4.526 351 2HG LYS 50 2HG LYS 50 2.824 -3.644 -5.656 352 1HD LYS 50 1HD LYS 50 3.387 -6.240 -4.693 353 2HD LYS 50 2HD LYS 50 1.645 -6.221 -4.879 354 1HE LYS 50 1HE LYS 50 2.560 -4.933 -7.206 355 2HE LYS 50 2HE LYS 50 3.746 -6.197 -6.950 356 1HZ LYS 50 1HZ LYS 50 1.085 -7.097 -6.539 357 2HZ LYS 50 2HZ LYS 50 1.318 -6.531 -8.053 358 3HZ LYS 50 3HZ LYS 50 2.262 -7.732 -7.476 359 HA PRO 51 HA PRO 51 4.024 -3.301 1.285 360 1HB PRO 51 1HB PRO 51 4.089 -5.914 2.082 361 2HB PRO 51 2HB PRO 51 2.673 -4.896 2.250 362 1HG PRO 51 1HG PRO 51 3.182 -7.054 0.296 363 2HG PRO 51 2HG PRO 51 1.655 -6.328 0.756 364 1HD PRO 51 1HD PRO 51 3.135 -5.832 -1.650 365 2HD PRO 51 2HD PRO 51 1.669 -5.022 -1.136 366 H LEU 52 H LEU 52 6.050 -2.654 1.598 367 HA LEU 52 HA LEU 52 8.139 -3.243 0.084 368 1HB LEU 52 1HB LEU 52 8.316 -1.632 1.795 369 2HB LEU 52 2HB LEU 52 8.000 -2.806 3.058 370 HG LEU 52 HG LEU 52 10.485 -2.806 1.323 371 1HD1 LEU 52 1HD1 LEU 52 10.140 -0.772 2.844 372 2HD1 LEU 52 2HD1 LEU 52 10.370 -1.904 4.198 373 3HD1 LEU 52 3HD1 LEU 52 11.665 -1.676 2.999 374 1HD2 LEU 52 1HD2 LEU 52 9.388 -4.673 3.270 375 2HD2 LEU 52 2HD2 LEU 52 10.731 -4.870 2.119 376 3HD2 LEU 52 3HD2 LEU 52 11.022 -4.121 3.707 377 H GLN 53 H GLN 53 9.451 -4.934 -0.443 378 HA GLN 53 HA GLN 53 8.661 -7.487 0.273 379 1HB GLN 53 1HB GLN 53 11.011 -8.071 -0.738 380 2HB GLN 53 2HB GLN 53 9.788 -7.361 -1.774 381 1HG GLN 53 1HG GLN 53 11.388 -5.316 -0.365 382 2HG GLN 53 2HG GLN 53 12.379 -6.367 -1.357 383 2HE2 GLN 53 2HE2 GLN 53 11.287 -3.505 -1.499 384 1HE2 GLN 53 1HE2 GLN 53 10.692 -3.338 -3.117 385 H GLU 54 H GLU 54 8.565 -7.383 2.653 386 HA GLU 54 HA GLU 54 10.577 -6.728 4.306 387 1HB GLU 54 1HB GLU 54 9.409 -7.892 5.977 388 2HB GLU 54 2HB GLU 54 8.161 -7.601 4.782 389 1HG GLU 54 1HG GLU 54 8.811 -9.929 3.796 390 2HG GLU 54 2HG GLU 54 9.688 -10.184 5.292 391 H ALA 55 H ALA 55 12.659 -7.401 4.579 392 HA ALA 55 HA ALA 55 13.293 -10.190 4.451 393 1HB ALA 55 1HB ALA 55 13.674 -10.147 2.205 394 2HB ALA 55 2HB ALA 55 15.194 -9.351 2.679 395 3HB ALA 55 3HB ALA 55 13.802 -8.373 2.157 396 H GLU 56 H GLU 56 14.959 -6.986 3.990 397 HA GLU 56 HA GLU 56 17.166 -7.526 5.413 398 1HB GLU 56 1HB GLU 56 15.649 -5.076 4.707 399 2HB GLU 56 2HB GLU 56 16.711 -4.878 6.086 400 1HG GLU 56 1HG GLU 56 18.271 -6.336 4.247 401 2HG GLU 56 2HG GLU 56 17.391 -5.204 3.239 402 H CYS 57 H CYS 57 17.761 -6.357 7.647 403 HA CYS 57 HA CYS 57 17.517 -6.254 9.827 404 1HB CYS 57 1HB CYS 57 14.755 -5.785 8.925 405 2HB CYS 57 2HB CYS 57 14.881 -6.410 10.558 406 H THR 58 H THR 58 18.449 -8.560 9.264 407 HA THR 58 HA THR 58 16.570 -10.678 9.996 408 HB THR 58 HB THR 58 18.597 -12.095 9.250 409 HG1 THR 58 HG1 THR 58 20.373 -10.771 9.134 410 1HG2 THR 58 1HG2 THR 58 16.931 -10.302 7.562 411 2HG2 THR 58 2HG2 THR 58 18.473 -10.766 6.803 412 3HG2 THR 58 3HG2 THR 58 17.327 -12.022 7.330 413 H PHE 59 H PHE 59 19.995 -9.811 10.841 414 HA PHE 59 HA PHE 59 19.286 -10.532 13.596 415 1HB PHE 59 1HB PHE 59 20.825 -12.070 11.963 416 2HB PHE 59 2HB PHE 59 22.058 -10.901 12.392 417 HD1 PHE 59 HD1 PHE 59 22.697 -10.627 14.804 418 HD2 PHE 59 HD2 PHE 59 20.170 -13.770 13.481 419 HE1 PHE 59 HE1 PHE 59 23.151 -11.887 16.927 420 HE2 PHE 59 HE2 PHE 59 20.624 -15.029 15.604 421 HZ PHE 59 HZ PHE 59 22.109 -14.073 17.302 No H/Q in entry = 421 Start of MODEL 31 1 H GLU 1 H GLU 1 6.004 -5.106 21.425 2 HA GLU 1 HA GLU 1 7.787 -6.354 23.357 3 1HB GLU 1 1HB GLU 1 5.901 -4.711 24.056 4 2HB GLU 1 2HB GLU 1 4.783 -6.001 23.659 5 1HG GLU 1 1HG GLU 1 5.158 -6.932 25.690 6 2HG GLU 1 2HG GLU 1 6.830 -7.206 25.243 7 H GLU 2 H GLU 2 4.557 -7.013 21.800 8 HA GLU 2 HA GLU 2 5.120 -9.824 22.026 9 1HB GLU 2 1HB GLU 2 2.777 -8.223 22.052 10 2HB GLU 2 2HB GLU 2 2.667 -9.173 20.585 11 1HG GLU 2 1HG GLU 2 1.802 -10.766 21.998 12 2HG GLU 2 2HG GLU 2 3.491 -11.128 22.293 13 H TYR 3 H TYR 3 3.783 -7.765 19.335 14 HA TYR 3 HA TYR 3 5.801 -8.299 17.514 15 1HB TYR 3 1HB TYR 3 4.396 -10.606 18.102 16 2HB TYR 3 2HB TYR 3 3.343 -9.952 16.864 17 HD1 TYR 3 HD1 TYR 3 7.079 -10.161 17.248 18 HD2 TYR 3 HD2 TYR 3 3.651 -11.030 14.839 19 HE1 TYR 3 HE1 TYR 3 8.584 -11.136 15.445 20 HE2 TYR 3 HE2 TYR 3 5.168 -12.002 13.045 21 HH TYR 3 HH TYR 3 7.266 -12.863 12.737 22 H VAL 4 H VAL 4 5.233 -7.570 15.302 23 HA VAL 4 HA VAL 4 2.809 -5.907 15.369 24 HB VAL 4 HB VAL 4 3.969 -4.308 14.026 25 1HG1 VAL 4 1HG1 VAL 4 5.600 -5.237 16.407 26 2HG1 VAL 4 2HG1 VAL 4 5.873 -3.695 15.562 27 3HG1 VAL 4 3HG1 VAL 4 4.319 -4.002 16.374 28 1HG2 VAL 4 1HG2 VAL 4 5.368 -6.245 12.899 29 2HG2 VAL 4 2HG2 VAL 4 6.002 -4.583 12.975 30 3HG2 VAL 4 3HG2 VAL 4 6.566 -5.805 14.140 31 H GLY 5 H GLY 5 3.205 -5.229 12.495 32 1HA GLY 5 1HA GLY 5 1.952 -7.632 11.413 33 2HA GLY 5 2HA GLY 5 3.450 -7.121 10.661 34 H LEU 6 H LEU 6 1.445 -4.617 12.111 35 HA LEU 6 HA LEU 6 0.446 -3.928 9.437 36 1HB LEU 6 1HB LEU 6 -1.039 -2.454 11.195 37 2HB LEU 6 2HB LEU 6 -1.530 -3.948 10.422 38 HG LEU 6 HG LEU 6 -0.512 -5.148 12.456 39 1HD1 LEU 6 1HD1 LEU 6 0.777 -3.245 13.316 40 2HD1 LEU 6 2HD1 LEU 6 -0.736 -2.367 13.641 41 3HD1 LEU 6 3HD1 LEU 6 -0.372 -3.869 14.524 42 1HD2 LEU 6 1HD2 LEU 6 -2.956 -4.832 11.932 43 2HD2 LEU 6 2HD2 LEU 6 -2.561 -5.040 13.655 44 3HD2 LEU 6 3HD2 LEU 6 -2.931 -3.421 13.016 45 H SER 7 H SER 7 0.322 -1.667 12.132 46 HA SER 7 HA SER 7 1.048 0.414 12.158 47 1HB SER 7 1HB SER 7 3.676 0.449 12.324 48 2HB SER 7 2HB SER 7 2.744 -0.396 13.544 49 HG SER 7 HG SER 7 3.608 -1.824 11.212 50 H ALA 8 H ALA 8 4.097 -0.105 10.543 51 HA ALA 8 HA ALA 8 3.049 0.748 7.968 52 1HB ALA 8 1HB ALA 8 4.235 2.766 7.882 53 2HB ALA 8 2HB ALA 8 5.318 2.303 9.216 54 3HB ALA 8 3HB ALA 8 3.629 2.750 9.555 55 H ASN 9 H ASN 9 4.519 -1.569 9.515 56 HA ASN 9 HA ASN 9 7.104 -1.657 8.538 57 1HB ASN 9 1HB ASN 9 5.915 -3.149 10.331 58 2HB ASN 9 2HB ASN 9 5.333 -4.105 8.982 59 2HD2 ASN 9 2HD2 ASN 9 6.497 -5.871 9.816 60 1HD2 ASN 9 1HD2 ASN 9 8.203 -6.048 9.573 61 H GLN 10 H GLN 10 3.997 -3.169 7.378 62 HA GLN 10 HA GLN 10 5.122 -4.335 5.123 63 1HB GLN 10 1HB GLN 10 2.730 -4.543 6.371 64 2HB GLN 10 2HB GLN 10 2.246 -3.474 5.069 65 1HG GLN 10 1HG GLN 10 2.023 -5.363 3.815 66 2HG GLN 10 2HG GLN 10 3.772 -5.350 3.705 67 2HE2 GLN 10 2HE2 GLN 10 1.267 -6.218 6.092 68 1HE2 GLN 10 1HE2 GLN 10 1.928 -7.750 6.555 69 H CYS 11 H CYS 11 3.877 -1.072 5.808 70 HA CYS 11 HA CYS 11 4.430 -0.382 3.013 71 1HB CYS 11 1HB CYS 11 2.817 1.508 4.592 72 2HB CYS 11 2HB CYS 11 2.649 0.986 2.928 73 H ALA 12 H ALA 12 6.604 -0.650 4.705 74 HA ALA 12 HA ALA 12 7.127 2.032 5.753 75 1HB ALA 12 1HB ALA 12 9.242 0.143 6.247 76 2HB ALA 12 2HB ALA 12 8.143 0.915 7.414 77 3HB ALA 12 3HB ALA 12 7.685 -0.622 6.643 78 H VAL 13 H VAL 13 6.941 1.818 2.938 79 HA VAL 13 HA VAL 13 9.692 1.590 2.017 80 HB VAL 13 HB VAL 13 7.626 2.406 0.110 81 1HG1 VAL 13 1HG1 VAL 13 10.032 0.801 0.236 82 2HG1 VAL 13 2HG1 VAL 13 8.720 -0.099 -0.562 83 3HG1 VAL 13 3HG1 VAL 13 9.207 1.499 -1.178 84 1HG2 VAL 13 1HG2 VAL 13 7.233 -0.055 1.808 85 2HG2 VAL 13 2HG2 VAL 13 6.042 1.165 1.296 86 3HG2 VAL 13 3HG2 VAL 13 6.676 -0.009 0.118 87 HA PRO 14 HA PRO 14 10.276 5.871 1.989 88 1HB PRO 14 1HB PRO 14 12.174 6.160 0.045 89 2HB PRO 14 2HB PRO 14 12.545 5.638 1.676 90 1HG PRO 14 1HG PRO 14 12.420 4.030 -0.802 91 2HG PRO 14 2HG PRO 14 13.185 3.636 0.725 92 1HD PRO 14 1HD PRO 14 10.690 2.616 -0.257 93 2HD PRO 14 2HD PRO 14 11.399 2.314 1.316 94 H ALA 15 H ALA 15 10.269 4.792 -1.383 95 HA ALA 15 HA ALA 15 7.925 5.738 -2.198 96 1HB ALA 15 1HB ALA 15 9.668 7.993 -1.441 97 2HB ALA 15 2HB ALA 15 7.908 7.946 -1.701 98 3HB ALA 15 3HB ALA 15 9.008 8.121 -3.089 99 H LYS 16 H LYS 16 11.385 5.384 -2.650 100 HA LYS 16 HA LYS 16 11.086 5.352 -5.544 101 1HB LYS 16 1HB LYS 16 13.506 5.264 -5.598 102 2HB LYS 16 2HB LYS 16 12.977 6.574 -4.562 103 1HG LYS 16 1HG LYS 16 14.515 5.642 -3.116 104 2HG LYS 16 2HG LYS 16 13.145 4.642 -2.674 105 1HD LYS 16 1HD LYS 16 14.997 3.143 -3.068 106 2HD LYS 16 2HD LYS 16 13.898 2.950 -4.420 107 1HE LYS 16 1HE LYS 16 15.419 3.758 -5.926 108 2HE LYS 16 2HE LYS 16 15.879 5.092 -4.888 109 1HZ LYS 16 1HZ LYS 16 16.736 2.527 -3.956 110 2HZ LYS 16 2HZ LYS 16 17.405 2.975 -5.376 111 3HZ LYS 16 3HZ LYS 16 17.567 3.929 -4.060 112 H ASP 17 H ASP 17 10.364 3.295 -3.076 113 HA ASP 17 HA ASP 17 11.300 0.995 -4.605 114 1HB ASP 17 1HB ASP 17 11.298 1.613 -1.746 115 2HB ASP 17 2HB ASP 17 10.382 0.149 -2.043 116 H ARG 18 H ARG 18 8.734 2.939 -4.437 117 HA ARG 18 HA ARG 18 6.685 1.157 -3.661 118 1HB ARG 18 1HB ARG 18 6.316 3.638 -5.393 119 2HB ARG 18 2HB ARG 18 5.174 2.941 -4.261 120 1HG ARG 18 1HG ARG 18 7.845 4.213 -3.494 121 2HG ARG 18 2HG ARG 18 6.283 4.996 -3.354 122 1HD ARG 18 1HD ARG 18 5.588 2.957 -1.880 123 2HD ARG 18 2HD ARG 18 7.296 2.571 -1.814 124 HE ARG 18 HE ARG 18 7.541 4.282 -0.256 125 1HH1 ARG 18 1HH1 ARG 18 4.757 5.018 -2.279 126 2HH1 ARG 18 2HH1 ARG 18 4.348 6.461 -1.412 127 1HH2 ARG 18 1HH2 ARG 18 7.002 6.186 0.887 128 2HH2 ARG 18 2HH2 ARG 18 5.634 7.130 0.401 129 H VAL 19 H VAL 19 6.205 -0.634 -4.905 130 HA VAL 19 HA VAL 19 6.827 -0.676 -7.691 131 HB VAL 19 HB VAL 19 5.414 -2.598 -5.836 132 1HG1 VAL 19 1HG1 VAL 19 5.935 -2.714 -8.782 133 2HG1 VAL 19 2HG1 VAL 19 6.113 -4.206 -7.829 134 3HG1 VAL 19 3HG1 VAL 19 4.561 -3.335 -7.836 135 1HG2 VAL 19 1HG2 VAL 19 8.245 -2.191 -6.710 136 2HG2 VAL 19 2HG2 VAL 19 7.593 -2.688 -5.130 137 3HG2 VAL 19 3HG2 VAL 19 7.673 -3.860 -6.468 138 H ASP 20 H ASP 20 4.303 0.665 -5.858 139 HA ASP 20 HA ASP 20 2.362 1.491 -6.357 140 1HB ASP 20 1HB ASP 20 3.256 2.617 -8.255 141 2HB ASP 20 2HB ASP 20 3.485 1.127 -9.148 142 H CYS 21 H CYS 21 0.511 0.292 -5.901 143 HA CYS 21 HA CYS 21 0.266 -2.337 -7.047 144 1HB CYS 21 1HB CYS 21 -0.380 -1.256 -4.603 145 2HB CYS 21 2HB CYS 21 -1.944 -1.334 -5.391 146 H GLY 22 H GLY 22 -0.819 0.948 -7.571 147 1HA GLY 22 1HA GLY 22 -2.173 0.276 -9.968 148 2HA GLY 22 2HA GLY 22 -2.099 1.846 -9.193 149 H TYR 23 H TYR 23 -3.738 2.499 -7.690 150 HA TYR 23 HA TYR 23 -6.157 0.862 -7.901 151 1HB TYR 23 1HB TYR 23 -4.591 1.896 -5.502 152 2HB TYR 23 2HB TYR 23 -6.338 1.894 -5.370 153 HD1 TYR 23 HD1 TYR 23 -7.548 -0.370 -5.873 154 HD2 TYR 23 HD2 TYR 23 -3.376 -0.040 -4.985 155 HE1 TYR 23 HE1 TYR 23 -7.489 -2.823 -5.206 156 HE2 TYR 23 HE2 TYR 23 -3.330 -2.494 -4.322 157 HH TYR 23 HH TYR 23 -5.945 -4.206 -3.573 158 HA PRO 24 HA PRO 24 -7.937 4.726 -8.705 159 1HB PRO 24 1HB PRO 24 -10.582 4.146 -8.332 160 2HB PRO 24 2HB PRO 24 -9.713 3.755 -9.803 161 1HG PRO 24 1HG PRO 24 -10.566 1.954 -7.619 162 2HG PRO 24 2HG PRO 24 -10.092 1.546 -9.256 163 1HD PRO 24 1HD PRO 24 -8.510 1.238 -6.883 164 2HD PRO 24 2HD PRO 24 -7.996 0.940 -8.532 165 H HIS 25 H HIS 25 -10.101 3.549 -6.193 166 HA HIS 25 HA HIS 25 -9.725 6.086 -4.864 167 1HB HIS 25 1HB HIS 25 -11.667 5.564 -3.632 168 2HB HIS 25 2HB HIS 25 -11.980 5.048 -5.278 169 HD1 HIS 25 HD1 HIS 25 -13.495 3.876 -2.776 170 HD2 HIS 25 HD2 HIS 25 -10.205 2.090 -4.669 171 HE1 HIS 25 HE1 HIS 25 -13.614 1.388 -2.220 172 HE2 HIS 25 HE2 HIS 25 -11.598 0.336 -3.455 173 H VAL 26 H VAL 26 -7.526 5.864 -4.143 174 HA VAL 26 HA VAL 26 -7.034 3.681 -2.276 175 HB VAL 26 HB VAL 26 -4.703 4.537 -2.370 176 1HG1 VAL 26 1HG1 VAL 26 -6.027 3.835 -5.010 177 2HG1 VAL 26 2HG1 VAL 26 -4.272 3.797 -4.713 178 3HG1 VAL 26 3HG1 VAL 26 -5.351 2.706 -3.811 179 1HG2 VAL 26 1HG2 VAL 26 -5.802 6.875 -3.286 180 2HG2 VAL 26 2HG2 VAL 26 -4.084 6.432 -3.422 181 3HG2 VAL 26 3HG2 VAL 26 -5.187 6.151 -4.791 182 H THR 27 H THR 27 -6.645 3.993 -0.073 183 HA THR 27 HA THR 27 -6.527 6.687 0.964 184 HB THR 27 HB THR 27 -8.622 6.682 2.058 185 HG1 THR 27 HG1 THR 27 -8.197 3.828 1.686 186 1HG2 THR 27 1HG2 THR 27 -9.104 4.910 -0.396 187 2HG2 THR 27 2HG2 THR 27 -10.371 5.771 0.510 188 3HG2 THR 27 3HG2 THR 27 -9.137 6.690 -0.385 189 HA PRO 28 HA PRO 28 -4.414 4.744 4.159 190 1HB PRO 28 1HB PRO 28 -5.167 6.038 6.445 191 2HB PRO 28 2HB PRO 28 -4.027 6.708 5.295 192 1HG PRO 28 1HG PRO 28 -6.854 7.446 5.747 193 2HG PRO 28 2HG PRO 28 -5.599 8.357 4.931 194 1HD PRO 28 1HD PRO 28 -7.731 6.888 3.696 195 2HD PRO 28 2HD PRO 28 -6.410 7.703 2.882 196 H LYS 29 H LYS 29 -6.694 3.298 3.333 197 HA LYS 29 HA LYS 29 -6.759 1.412 5.366 198 1HB LYS 29 1HB LYS 29 -8.131 3.406 6.375 199 2HB LYS 29 2HB LYS 29 -9.402 2.845 5.308 200 1HG LYS 29 1HG LYS 29 -7.998 0.745 6.932 201 2HG LYS 29 2HG LYS 29 -9.028 1.854 7.815 202 1HD LYS 29 1HD LYS 29 -10.499 1.105 5.482 203 2HD LYS 29 2HD LYS 29 -9.790 -0.374 6.100 204 1HE LYS 29 1HE LYS 29 -10.683 0.838 8.438 205 2HE LYS 29 2HE LYS 29 -11.903 1.348 7.288 206 1HZ LYS 29 1HZ LYS 29 -11.051 -1.437 7.684 207 2HZ LYS 29 2HZ LYS 29 -12.410 -0.776 8.303 208 3HZ LYS 29 3HZ LYS 29 -12.242 -0.933 6.686 209 H GLU 30 H GLU 30 -8.951 2.976 2.925 210 HA GLU 30 HA GLU 30 -10.036 0.602 2.044 211 1HB GLU 30 1HB GLU 30 -10.945 2.881 1.573 212 2HB GLU 30 2HB GLU 30 -9.608 3.189 0.484 213 1HG GLU 30 1HG GLU 30 -10.707 2.153 -1.203 214 2HG GLU 30 2HG GLU 30 -10.770 0.666 -0.278 215 H CYS 31 H CYS 31 -7.147 2.458 0.920 216 HA CYS 31 HA CYS 31 -6.605 0.834 -1.280 217 1HB CYS 31 1HB CYS 31 -5.492 2.818 -1.395 218 2HB CYS 31 2HB CYS 31 -5.119 2.853 0.317 219 H ASN 32 H ASN 32 -5.675 0.734 2.203 220 HA ASN 32 HA ASN 32 -3.986 -1.516 1.791 221 1HB ASN 32 1HB ASN 32 -3.247 -0.996 3.900 222 2HB ASN 32 2HB ASN 32 -4.256 0.431 3.779 223 2HD2 ASN 32 2HD2 ASN 32 -3.689 -2.512 5.349 224 1HD2 ASN 32 1HD2 ASN 32 -5.087 -2.576 6.371 225 H ASN 33 H ASN 33 -7.305 -1.071 1.748 226 HA ASN 33 HA ASN 33 -7.884 -3.495 3.224 227 1HB ASN 33 1HB ASN 33 -9.300 -1.462 3.639 228 2HB ASN 33 2HB ASN 33 -9.750 -1.427 1.945 229 2HD2 ASN 33 2HD2 ASN 33 -10.340 -2.740 5.027 230 1HD2 ASN 33 1HD2 ASN 33 -11.606 -3.853 4.629 231 H ARG 34 H ARG 34 -7.929 -1.943 -0.010 232 HA ARG 34 HA ARG 34 -9.450 -3.836 -1.315 233 1HB ARG 34 1HB ARG 34 -8.311 -1.459 -2.020 234 2HB ARG 34 2HB ARG 34 -7.171 -2.541 -2.795 235 1HG ARG 34 1HG ARG 34 -9.075 -1.872 -4.299 236 2HG ARG 34 2HG ARG 34 -8.940 -3.607 -4.093 237 1HD ARG 34 1HD ARG 34 -10.850 -3.735 -2.704 238 2HD ARG 34 2HD ARG 34 -10.735 -2.057 -2.211 239 HE ARG 34 HE ARG 34 -11.812 -1.385 -4.218 240 1HH1 ARG 34 1HH1 ARG 34 -11.134 -4.838 -4.247 241 2HH1 ARG 34 2HH1 ARG 34 -12.154 -5.157 -5.610 242 1HH2 ARG 34 1HH2 ARG 34 -13.158 -1.805 -6.017 243 2HH2 ARG 34 2HH2 ARG 34 -13.313 -3.420 -6.624 244 H GLY 35 H GLY 35 -6.128 -3.864 -0.151 245 1HA GLY 35 1HA GLY 35 -5.650 -6.406 -1.591 246 2HA GLY 35 2HA GLY 35 -5.236 -6.146 0.092 247 H CYS 36 H CYS 36 -3.752 -4.154 0.534 248 HA CYS 36 HA CYS 36 -1.355 -4.533 -0.670 249 1HB CYS 36 1HB CYS 36 -2.999 -3.216 -2.509 250 2HB CYS 36 2HB CYS 36 -1.987 -1.951 -1.840 251 H CYS 37 H CYS 37 -0.487 -1.683 -0.695 252 HA CYS 37 HA CYS 37 -1.103 -1.008 2.089 253 1HB CYS 37 1HB CYS 37 1.502 -1.324 0.710 254 2HB CYS 37 2HB CYS 37 1.354 0.067 1.766 255 H PHE 38 H PHE 38 -1.068 1.344 2.538 256 HA PHE 38 HA PHE 38 -1.471 2.903 0.082 257 1HB PHE 38 1HB PHE 38 -3.533 2.590 1.428 258 2HB PHE 38 2HB PHE 38 -2.679 2.984 2.907 259 HD1 PHE 38 HD1 PHE 38 -4.079 4.374 -0.199 260 HD2 PHE 38 HD2 PHE 38 -2.313 5.261 3.556 261 HE1 PHE 38 HE1 PHE 38 -4.754 6.778 -0.450 262 HE2 PHE 38 HE2 PHE 38 -2.988 7.666 3.305 263 HZ PHE 38 HZ PHE 38 -4.201 8.396 1.305 264 H ASP 39 H ASP 39 -1.248 5.408 0.650 265 HA ASP 39 HA ASP 39 0.412 6.172 2.705 266 1HB ASP 39 1HB ASP 39 2.175 4.869 1.600 267 2HB ASP 39 2HB ASP 39 1.824 5.620 0.057 268 H SER 40 H SER 40 0.553 8.501 2.674 269 HA SER 40 HA SER 40 -0.277 9.752 0.184 270 1HB SER 40 1HB SER 40 -1.777 11.274 1.419 271 2HB SER 40 2HB SER 40 -2.271 9.607 1.635 272 HG SER 40 HG SER 40 -1.931 9.770 3.742 273 H ARG 41 H ARG 41 2.279 9.309 1.932 274 HA ARG 41 HA ARG 41 2.955 11.694 3.112 275 1HB ARG 41 1HB ARG 41 4.148 9.255 2.885 276 2HB ARG 41 2HB ARG 41 5.107 10.126 1.705 277 1HG ARG 41 1HG ARG 41 5.067 11.941 3.792 278 2HG ARG 41 2HG ARG 41 5.023 10.424 4.668 279 1HD ARG 41 1HD ARG 41 7.170 9.854 4.061 280 2HD ARG 41 2HD ARG 41 6.980 10.457 2.427 281 HE ARG 41 HE ARG 41 6.995 12.767 3.970 282 1HH1 ARG 41 1HH1 ARG 41 9.176 10.027 3.621 283 2HH1 ARG 41 2HH1 ARG 41 10.594 10.943 4.007 284 1HH2 ARG 41 1HH2 ARG 41 8.866 13.976 4.479 285 2HH2 ARG 41 2HH2 ARG 41 10.417 13.205 4.498 286 H ILE 42 H ILE 42 3.311 10.513 -0.278 287 HA ILE 42 HA ILE 42 3.545 13.246 -1.166 288 HB ILE 42 HB ILE 42 5.579 12.185 -2.623 289 1HG1 ILE 42 1HG1 ILE 42 7.159 11.146 -1.033 290 2HG1 ILE 42 2HG1 ILE 42 5.909 11.115 0.195 291 1HG2 ILE 42 1HG2 ILE 42 5.244 14.125 -0.473 292 2HG2 ILE 42 2HG2 ILE 42 6.880 13.426 -0.515 293 3HG2 ILE 42 3HG2 ILE 42 6.212 14.215 -1.964 294 1HD1 ILE 42 1HD1 ILE 42 5.174 9.912 -2.447 295 2HD1 ILE 42 2HD1 ILE 42 6.378 9.030 -1.477 296 3HD1 ILE 42 3HD1 ILE 42 4.768 9.373 -0.800 297 HA PRO 43 HA PRO 43 1.146 11.340 -4.230 298 1HB PRO 43 1HB PRO 43 0.775 13.496 -5.868 299 2HB PRO 43 2HB PRO 43 -0.189 13.204 -4.434 300 1HG PRO 43 1HG PRO 43 1.975 15.176 -4.841 301 2HG PRO 43 2HG PRO 43 0.735 15.147 -3.603 302 1HD PRO 43 1HD PRO 43 3.490 14.412 -3.291 303 2HD PRO 43 2HD PRO 43 2.225 14.273 -2.086 304 H GLY 44 H GLY 44 4.017 13.124 -5.063 305 1HA GLY 44 1HA GLY 44 5.671 12.561 -6.495 306 2HA GLY 44 2HA GLY 44 4.379 12.533 -7.679 307 H VAL 45 H VAL 45 4.432 10.268 -4.924 308 HA VAL 45 HA VAL 45 5.324 8.153 -6.749 309 HB VAL 45 HB VAL 45 6.290 7.110 -4.989 310 1HG1 VAL 45 1HG1 VAL 45 6.197 10.024 -4.167 311 2HG1 VAL 45 2HG1 VAL 45 7.211 8.816 -3.342 312 3HG1 VAL 45 3HG1 VAL 45 7.474 9.169 -5.066 313 1HG2 VAL 45 1HG2 VAL 45 4.046 8.250 -3.335 314 2HG2 VAL 45 2HG2 VAL 45 4.509 6.552 -3.599 315 3HG2 VAL 45 3HG2 VAL 45 5.502 7.592 -2.551 316 HA PRO 46 HA PRO 46 1.470 6.207 -6.480 317 1HB PRO 46 1HB PRO 46 2.015 3.548 -6.163 318 2HB PRO 46 2HB PRO 46 2.148 4.377 -7.701 319 1HG PRO 46 1HG PRO 46 4.302 3.487 -5.883 320 2HG PRO 46 2HG PRO 46 4.405 3.919 -7.578 321 1HD PRO 46 1HD PRO 46 5.220 5.525 -5.345 322 2HD PRO 46 2HD PRO 46 5.214 6.000 -7.032 323 H TRP 47 H TRP 47 0.622 7.302 -4.673 324 HA TRP 47 HA TRP 47 1.003 6.932 -2.115 325 1HB TRP 47 1HB TRP 47 -1.513 7.207 -3.687 326 2HB TRP 47 2HB TRP 47 -1.655 6.847 -1.978 327 HD1 TRP 47 HD1 TRP 47 1.203 9.143 -3.146 328 HE1 TRP 47 HE1 TRP 47 0.861 11.616 -2.290 329 HE3 TRP 47 HE3 TRP 47 -3.491 8.422 -1.329 330 HZ2 TRP 47 HZ2 TRP 47 -1.287 12.962 -0.979 331 HZ3 TRP 47 HZ3 TRP 47 -4.640 10.367 -0.276 332 HH2 TRP 47 HH2 TRP 47 -3.614 12.577 -0.086 333 H CYS 48 H CYS 48 -1.076 4.671 -4.074 334 HA CYS 48 HA CYS 48 -0.884 2.740 -1.925 335 1HB CYS 48 1HB CYS 48 -3.022 3.348 -3.239 336 2HB CYS 48 2HB CYS 48 -2.357 2.356 -4.522 337 H PHE 49 H PHE 49 0.920 1.441 -1.929 338 HA PHE 49 HA PHE 49 1.811 0.443 -4.534 339 1HB PHE 49 1HB PHE 49 4.166 0.626 -3.405 340 2HB PHE 49 2HB PHE 49 3.433 2.135 -3.913 341 HD1 PHE 49 HD1 PHE 49 3.686 -0.078 -0.921 342 HD2 PHE 49 HD2 PHE 49 3.284 3.880 -2.398 343 HE1 PHE 49 HE1 PHE 49 3.907 0.816 1.414 344 HE2 PHE 49 HE2 PHE 49 3.504 4.774 -0.062 345 HZ PHE 49 HZ PHE 49 3.814 3.231 1.816 346 H LYS 50 H LYS 50 3.262 -1.552 -4.269 347 HA LYS 50 HA LYS 50 1.892 -3.439 -2.720 348 1HB LYS 50 1HB LYS 50 4.637 -3.682 -3.985 349 2HB LYS 50 2HB LYS 50 3.583 -4.997 -3.506 350 1HG LYS 50 1HG LYS 50 1.817 -3.892 -5.102 351 2HG LYS 50 2HG LYS 50 3.172 -2.990 -5.752 352 1HD LYS 50 1HD LYS 50 3.145 -4.870 -7.158 353 2HD LYS 50 2HD LYS 50 4.341 -5.343 -5.968 354 1HE LYS 50 1HE LYS 50 2.867 -6.840 -4.876 355 2HE LYS 50 2HE LYS 50 1.433 -6.030 -5.474 356 1HZ LYS 50 1HZ LYS 50 2.734 -6.833 -7.709 357 2HZ LYS 50 2HZ LYS 50 2.945 -8.086 -6.684 358 3HZ LYS 50 3HZ LYS 50 1.438 -7.567 -7.038 359 HA PRO 51 HA PRO 51 3.963 -3.307 1.063 360 1HB PRO 51 1HB PRO 51 4.037 -5.921 1.857 361 2HB PRO 51 2HB PRO 51 2.604 -4.920 1.987 362 1HG PRO 51 1HG PRO 51 3.194 -7.068 0.044 363 2HG PRO 51 2HG PRO 51 1.646 -6.361 0.462 364 1HD PRO 51 1HD PRO 51 3.188 -5.842 -1.901 365 2HD PRO 51 2HD PRO 51 1.698 -5.051 -1.426 366 H LEU 52 H LEU 52 5.966 -2.774 1.653 367 HA LEU 52 HA LEU 52 8.124 -3.228 0.154 368 1HB LEU 52 1HB LEU 52 8.440 -1.752 1.867 369 2HB LEU 52 2HB LEU 52 7.714 -2.799 3.070 370 HG LEU 52 HG LEU 52 10.402 -3.389 1.817 371 1HD1 LEU 52 1HD1 LEU 52 9.759 -1.703 4.242 372 2HD1 LEU 52 2HD1 LEU 52 11.350 -2.451 3.967 373 3HD1 LEU 52 3HD1 LEU 52 10.714 -1.261 2.807 374 1HD2 LEU 52 1HD2 LEU 52 8.701 -4.889 3.480 375 2HD2 LEU 52 2HD2 LEU 52 10.393 -5.235 3.047 376 3HD2 LEU 52 3HD2 LEU 52 10.023 -4.311 4.523 377 H GLN 53 H GLN 53 9.714 -4.799 -0.172 378 HA GLN 53 HA GLN 53 8.856 -7.420 0.086 379 1HB GLN 53 1HB GLN 53 11.272 -5.998 -0.878 380 2HB GLN 53 2HB GLN 53 11.597 -7.619 -0.297 381 1HG GLN 53 1HG GLN 53 10.935 -8.295 -2.375 382 2HG GLN 53 2HG GLN 53 9.306 -8.051 -1.778 383 2HE2 GLN 53 2HE2 GLN 53 8.807 -5.510 -1.709 384 1HE2 GLN 53 1HE2 GLN 53 9.012 -4.710 -3.232 385 H GLU 54 H GLU 54 8.292 -7.636 2.376 386 HA GLU 54 HA GLU 54 10.018 -7.162 4.436 387 1HB GLU 54 1HB GLU 54 8.580 -8.624 5.761 388 2HB GLU 54 2HB GLU 54 7.588 -7.694 4.656 389 1HG GLU 54 1HG GLU 54 8.167 -9.931 3.120 390 2HG GLU 54 2HG GLU 54 8.101 -10.623 4.729 391 H ALA 55 H ALA 55 12.134 -7.856 4.438 392 HA ALA 55 HA ALA 55 12.566 -10.702 4.572 393 1HB ALA 55 1HB ALA 55 13.017 -10.837 2.348 394 2HB ALA 55 2HB ALA 55 14.559 -10.071 2.799 395 3HB ALA 55 3HB ALA 55 13.218 -9.076 2.181 396 H GLU 56 H GLU 56 14.159 -7.456 4.202 397 HA GLU 56 HA GLU 56 16.128 -8.299 6.128 398 1HB GLU 56 1HB GLU 56 16.271 -6.709 3.878 399 2HB GLU 56 2HB GLU 56 16.175 -5.494 5.137 400 1HG GLU 56 1HG GLU 56 18.342 -5.853 5.690 401 2HG GLU 56 2HG GLU 56 18.000 -7.536 6.040 402 H CYS 57 H CYS 57 16.773 -6.103 7.595 403 HA CYS 57 HA CYS 57 16.222 -4.890 9.338 404 1HB CYS 57 1HB CYS 57 14.155 -4.298 7.444 405 2HB CYS 57 2HB CYS 57 13.452 -4.330 9.049 406 H THR 58 H THR 58 15.563 -5.375 11.478 407 HA THR 58 HA THR 58 13.607 -7.550 11.762 408 HB THR 58 HB THR 58 16.436 -7.334 12.897 409 HG1 THR 58 HG1 THR 58 15.820 -8.372 10.759 410 1HG2 THR 58 1HG2 THR 58 14.427 -8.148 14.516 411 2HG2 THR 58 2HG2 THR 58 14.585 -9.629 13.541 412 3HG2 THR 58 3HG2 THR 58 15.980 -9.017 14.461 413 H PHE 59 H PHE 59 15.656 -5.372 13.822 414 HA PHE 59 HA PHE 59 14.118 -5.157 15.968 415 1HB PHE 59 1HB PHE 59 15.867 -3.355 14.333 416 2HB PHE 59 2HB PHE 59 14.800 -2.481 15.414 417 HD1 PHE 59 HD1 PHE 59 14.980 -2.802 17.859 418 HD2 PHE 59 HD2 PHE 59 17.717 -4.627 15.178 419 HE1 PHE 59 HE1 PHE 59 16.567 -3.217 19.760 420 HE2 PHE 59 HE2 PHE 59 19.303 -5.041 17.078 421 HZ PHE 59 HZ PHE 59 18.709 -4.332 19.347 No H/Q in entry = 421 Start of MODEL 32 1 H GLU 1 H GLU 1 7.988 -13.152 21.791 2 HA GLU 1 HA GLU 1 6.396 -13.478 20.173 3 1HB GLU 1 1HB GLU 1 6.877 -10.967 21.115 4 2HB GLU 1 2HB GLU 1 7.020 -10.656 19.397 5 1HG GLU 1 1HG GLU 1 4.777 -10.919 19.041 6 2HG GLU 1 2HG GLU 1 4.697 -12.365 20.028 7 H GLU 2 H GLU 2 5.674 -12.871 17.804 8 HA GLU 2 HA GLU 2 7.896 -13.659 16.132 9 1HB GLU 2 1HB GLU 2 5.473 -14.738 16.228 10 2HB GLU 2 2HB GLU 2 5.043 -13.416 15.161 11 1HG GLU 2 1HG GLU 2 6.877 -14.092 13.591 12 2HG GLU 2 2HG GLU 2 7.294 -15.420 14.656 13 H TYR 3 H TYR 3 8.776 -12.359 14.528 14 HA TYR 3 HA TYR 3 8.403 -9.606 14.674 15 1HB TYR 3 1HB TYR 3 10.446 -10.548 13.762 16 2HB TYR 3 2HB TYR 3 9.567 -11.658 12.729 17 HD1 TYR 3 HD1 TYR 3 9.397 -7.927 13.149 18 HD2 TYR 3 HD2 TYR 3 10.087 -11.224 10.511 19 HE1 TYR 3 HE1 TYR 3 9.652 -6.320 11.196 20 HE2 TYR 3 HE2 TYR 3 10.340 -9.605 8.566 21 HH TYR 3 HH TYR 3 9.581 -7.345 7.998 22 H VAL 4 H VAL 4 6.280 -8.872 14.408 23 HA VAL 4 HA VAL 4 5.282 -9.134 11.672 24 HB VAL 4 HB VAL 4 2.957 -9.213 12.819 25 1HG1 VAL 4 1HG1 VAL 4 4.862 -11.553 12.571 26 2HG1 VAL 4 2HG1 VAL 4 3.135 -11.757 12.952 27 3HG1 VAL 4 3HG1 VAL 4 3.624 -11.002 11.417 28 1HG2 VAL 4 1HG2 VAL 4 4.471 -9.147 15.123 29 2HG2 VAL 4 2HG2 VAL 4 2.778 -9.682 15.009 30 3HG2 VAL 4 3HG2 VAL 4 4.094 -10.879 14.956 31 H GLY 5 H GLY 5 4.008 -7.312 10.966 32 1HA GLY 5 1HA GLY 5 4.916 -4.839 11.927 33 2HA GLY 5 2HA GLY 5 3.334 -5.144 12.618 34 H LEU 6 H LEU 6 1.458 -5.331 11.237 35 HA LEU 6 HA LEU 6 1.894 -4.849 8.407 36 1HB LEU 6 1HB LEU 6 -0.609 -5.154 8.337 37 2HB LEU 6 2HB LEU 6 0.359 -6.549 8.773 38 HG LEU 6 HG LEU 6 -1.821 -6.076 10.071 39 1HD1 LEU 6 1HD1 LEU 6 0.734 -7.166 10.886 40 2HD1 LEU 6 2HD1 LEU 6 -0.165 -6.527 12.283 41 3HD1 LEU 6 3HD1 LEU 6 -0.915 -7.745 11.223 42 1HD2 LEU 6 1HD2 LEU 6 -1.148 -3.637 10.443 43 2HD2 LEU 6 2HD2 LEU 6 -1.818 -4.527 11.832 44 3HD2 LEU 6 3HD2 LEU 6 -0.063 -4.254 11.711 45 H SER 7 H SER 7 0.833 -3.074 7.274 46 HA SER 7 HA SER 7 0.256 -1.001 6.991 47 1HB SER 7 1HB SER 7 -1.338 -0.001 8.379 48 2HB SER 7 2HB SER 7 -1.524 -1.693 8.795 49 HG SER 7 HG SER 7 -0.902 -1.269 10.797 50 H ALA 8 H ALA 8 2.924 -1.397 7.371 51 HA ALA 8 HA ALA 8 3.965 1.028 7.945 52 1HB ALA 8 1HB ALA 8 3.431 -0.553 10.415 53 2HB ALA 8 2HB ALA 8 5.034 0.212 10.302 54 3HB ALA 8 3HB ALA 8 3.564 1.208 10.189 55 H ASN 9 H ASN 9 5.265 -1.852 9.640 56 HA ASN 9 HA ASN 9 7.687 -1.791 8.521 57 1HB ASN 9 1HB ASN 9 6.231 -3.583 10.143 58 2HB ASN 9 2HB ASN 9 6.710 -4.576 8.780 59 2HD2 ASN 9 2HD2 ASN 9 8.978 -4.544 8.136 60 1HD2 ASN 9 1HD2 ASN 9 10.212 -4.388 9.341 61 H GLN 10 H GLN 10 4.629 -2.813 7.084 62 HA GLN 10 HA GLN 10 5.998 -4.130 4.904 63 1HB GLN 10 1HB GLN 10 3.005 -3.798 4.994 64 2HB GLN 10 2HB GLN 10 3.952 -5.135 4.373 65 1HG GLN 10 1HG GLN 10 3.995 -4.483 7.339 66 2HG GLN 10 2HG GLN 10 2.676 -5.417 6.662 67 2HE2 GLN 10 2HE2 GLN 10 6.178 -5.235 7.026 68 1HE2 GLN 10 1HE2 GLN 10 6.516 -6.930 6.908 69 H CYS 11 H CYS 11 4.266 -1.154 5.756 70 HA CYS 11 HA CYS 11 4.510 -0.304 2.963 71 1HB CYS 11 1HB CYS 11 2.800 1.262 4.800 72 2HB CYS 11 2HB CYS 11 2.587 0.876 3.104 73 H ALA 12 H ALA 12 6.807 -0.362 4.603 74 HA ALA 12 HA ALA 12 7.094 2.445 5.424 75 1HB ALA 12 1HB ALA 12 9.237 1.220 6.521 76 2HB ALA 12 2HB ALA 12 7.658 1.314 7.337 77 3HB ALA 12 3HB ALA 12 8.119 -0.163 6.459 78 H VAL 13 H VAL 13 7.099 1.989 2.692 79 HA VAL 13 HA VAL 13 9.837 1.552 1.873 80 HB VAL 13 HB VAL 13 7.836 2.535 -0.056 81 1HG1 VAL 13 1HG1 VAL 13 10.110 0.661 0.080 82 2HG1 VAL 13 2HG1 VAL 13 8.762 0.115 -0.946 83 3HG1 VAL 13 3HG1 VAL 13 9.541 1.684 -1.260 84 1HG2 VAL 13 1HG2 VAL 13 7.355 0.089 1.630 85 2HG2 VAL 13 2HG2 VAL 13 6.204 1.326 1.068 86 3HG2 VAL 13 3HG2 VAL 13 6.840 0.118 -0.074 87 HA PRO 14 HA PRO 14 10.865 5.750 1.839 88 1HB PRO 14 1HB PRO 14 12.955 5.760 0.078 89 2HB PRO 14 2HB PRO 14 13.115 5.271 1.753 90 1HG PRO 14 1HG PRO 14 13.048 3.582 -0.673 91 2HG PRO 14 2HG PRO 14 13.623 3.176 0.932 92 1HD PRO 14 1HD PRO 14 11.135 2.379 -0.253 93 2HD PRO 14 2HD PRO 14 11.659 2.071 1.391 94 H ALA 15 H ALA 15 9.241 4.316 -0.568 95 HA ALA 15 HA ALA 15 7.795 5.344 -1.969 96 1HB ALA 15 1HB ALA 15 9.376 7.885 -2.144 97 2HB ALA 15 2HB ALA 15 7.613 7.636 -2.122 98 3HB ALA 15 3HB ALA 15 8.546 7.527 -0.610 99 H LYS 16 H LYS 16 11.261 5.157 -2.154 100 HA LYS 16 HA LYS 16 11.222 5.409 -5.056 101 1HB LYS 16 1HB LYS 16 13.675 5.310 -4.855 102 2HB LYS 16 2HB LYS 16 12.978 6.608 -3.907 103 1HG LYS 16 1HG LYS 16 14.659 5.481 -2.546 104 2HG LYS 16 2HG LYS 16 13.082 5.143 -1.862 105 1HD LYS 16 1HD LYS 16 13.090 2.904 -2.572 106 2HD LYS 16 2HD LYS 16 14.171 3.218 -3.914 107 1HE LYS 16 1HE LYS 16 16.071 3.540 -2.344 108 2HE LYS 16 2HE LYS 16 15.002 3.315 -0.974 109 1HZ LYS 16 1HZ LYS 16 14.545 1.139 -2.487 110 2HZ LYS 16 2HZ LYS 16 16.150 1.365 -2.686 111 3HZ LYS 16 3HZ LYS 16 15.530 1.192 -1.185 112 H ASP 17 H ASP 17 10.136 3.139 -3.084 113 HA ASP 17 HA ASP 17 11.261 1.032 -4.743 114 1HB ASP 17 1HB ASP 17 11.475 1.329 -1.868 115 2HB ASP 17 2HB ASP 17 10.463 -0.062 -2.202 116 H ARG 18 H ARG 18 8.689 2.825 -4.474 117 HA ARG 18 HA ARG 18 6.682 1.026 -3.647 118 1HB ARG 18 1HB ARG 18 6.306 3.497 -5.400 119 2HB ARG 18 2HB ARG 18 5.125 2.771 -4.328 120 1HG ARG 18 1HG ARG 18 7.750 4.042 -3.413 121 2HG ARG 18 2HG ARG 18 6.189 4.837 -3.363 122 1HD ARG 18 1HD ARG 18 5.419 2.735 -1.966 123 2HD ARG 18 2HD ARG 18 7.133 2.444 -1.745 124 HE ARG 18 HE ARG 18 7.136 4.165 -0.179 125 1HH1 ARG 18 1HH1 ARG 18 4.540 4.769 -2.477 126 2HH1 ARG 18 2HH1 ARG 18 3.986 6.198 -1.670 127 1HH2 ARG 18 1HH2 ARG 18 6.405 6.050 0.885 128 2HH2 ARG 18 2HH2 ARG 18 5.054 6.932 0.255 129 H VAL 19 H VAL 19 5.892 -0.677 -4.845 130 HA VAL 19 HA VAL 19 6.592 -0.842 -7.634 131 HB VAL 19 HB VAL 19 4.866 -2.779 -6.122 132 1HG1 VAL 19 1HG1 VAL 19 6.699 -2.855 -8.498 133 2HG1 VAL 19 2HG1 VAL 19 6.453 -4.334 -7.539 134 3HG1 VAL 19 3HG1 VAL 19 5.062 -3.523 -8.298 135 1HG2 VAL 19 1HG2 VAL 19 7.767 -2.175 -5.672 136 2HG2 VAL 19 2HG2 VAL 19 6.508 -2.668 -4.514 137 3HG2 VAL 19 3HG2 VAL 19 7.225 -3.870 -5.614 138 H ASP 20 H ASP 20 4.135 0.630 -5.825 139 HA ASP 20 HA ASP 20 2.192 1.461 -6.306 140 1HB ASP 20 1HB ASP 20 3.124 2.576 -8.197 141 2HB ASP 20 2HB ASP 20 3.307 1.086 -9.101 142 H CYS 21 H CYS 21 0.455 0.147 -5.711 143 HA CYS 21 HA CYS 21 0.132 -2.426 -6.887 144 1HB CYS 21 1HB CYS 21 -0.507 -1.363 -4.475 145 2HB CYS 21 2HB CYS 21 -2.066 -1.280 -5.270 146 H GLY 22 H GLY 22 -0.852 0.847 -7.566 147 1HA GLY 22 1HA GLY 22 -2.178 0.129 -9.956 148 2HA GLY 22 2HA GLY 22 -2.095 1.720 -9.226 149 H TYR 23 H TYR 23 -3.762 2.449 -7.794 150 HA TYR 23 HA TYR 23 -6.213 0.876 -8.046 151 1HB TYR 23 1HB TYR 23 -4.664 1.808 -5.599 152 2HB TYR 23 2HB TYR 23 -6.412 1.896 -5.503 153 HD1 TYR 23 HD1 TYR 23 -7.658 -0.356 -6.289 154 HD2 TYR 23 HD2 TYR 23 -3.633 -0.134 -4.856 155 HE1 TYR 23 HE1 TYR 23 -7.741 -2.816 -5.653 156 HE2 TYR 23 HE2 TYR 23 -3.730 -2.596 -4.225 157 HH TYR 23 HH TYR 23 -5.746 -4.210 -3.584 158 HA PRO 24 HA PRO 24 -7.846 4.807 -8.838 159 1HB PRO 24 1HB PRO 24 -10.516 4.309 -8.539 160 2HB PRO 24 2HB PRO 24 -9.624 3.910 -9.993 161 1HG PRO 24 1HG PRO 24 -10.590 2.108 -7.858 162 2HG PRO 24 2HG PRO 24 -10.088 1.708 -9.488 163 1HD PRO 24 1HD PRO 24 -8.577 1.315 -7.082 164 2HD PRO 24 2HD PRO 24 -8.031 1.023 -8.722 165 H HIS 25 H HIS 25 -10.090 3.651 -6.385 166 HA HIS 25 HA HIS 25 -9.701 6.166 -5.023 167 1HB HIS 25 1HB HIS 25 -11.633 5.565 -3.738 168 2HB HIS 25 2HB HIS 25 -11.963 5.261 -5.431 169 HD1 HIS 25 HD1 HIS 25 -13.745 3.807 -3.523 170 HD2 HIS 25 HD2 HIS 25 -10.055 2.235 -4.750 171 HE1 HIS 25 HE1 HIS 25 -13.882 1.286 -3.150 172 HE2 HIS 25 HE2 HIS 25 -11.607 0.369 -3.973 173 H VAL 26 H VAL 26 -7.498 5.898 -4.302 174 HA VAL 26 HA VAL 26 -7.064 3.711 -2.423 175 HB VAL 26 HB VAL 26 -4.712 4.502 -2.517 176 1HG1 VAL 26 1HG1 VAL 26 -6.054 3.825 -5.154 177 2HG1 VAL 26 2HG1 VAL 26 -4.299 3.754 -4.866 178 3HG1 VAL 26 3HG1 VAL 26 -5.394 2.687 -3.956 179 1HG2 VAL 26 1HG2 VAL 26 -5.695 6.878 -3.382 180 2HG2 VAL 26 2HG2 VAL 26 -4.015 6.345 -3.635 181 3HG2 VAL 26 3HG2 VAL 26 -5.217 6.147 -4.933 182 H THR 27 H THR 27 -6.849 4.006 -0.224 183 HA THR 27 HA THR 27 -6.570 6.696 0.814 184 HB THR 27 HB THR 27 -8.698 6.825 1.826 185 HG1 THR 27 HG1 THR 27 -9.857 4.805 2.240 186 1HG2 THR 27 1HG2 THR 27 -9.158 5.070 -0.643 187 2HG2 THR 27 2HG2 THR 27 -10.447 5.923 0.238 188 3HG2 THR 27 3HG2 THR 27 -9.180 6.849 -0.602 189 HA PRO 28 HA PRO 28 -4.666 4.638 4.067 190 1HB PRO 28 1HB PRO 28 -5.376 6.014 6.320 191 2HB PRO 28 2HB PRO 28 -4.164 6.585 5.190 192 1HG PRO 28 1HG PRO 28 -6.939 7.531 5.565 193 2HG PRO 28 2HG PRO 28 -5.602 8.338 4.770 194 1HD PRO 28 1HD PRO 28 -7.806 7.012 3.501 195 2HD PRO 28 2HD PRO 28 -6.411 7.717 2.709 196 H LYS 29 H LYS 29 -7.004 3.334 3.203 197 HA LYS 29 HA LYS 29 -7.263 1.500 5.270 198 1HB LYS 29 1HB LYS 29 -8.534 3.599 6.189 199 2HB LYS 29 2HB LYS 29 -9.801 3.104 5.085 200 1HG LYS 29 1HG LYS 29 -8.539 1.098 6.988 201 2HG LYS 29 2HG LYS 29 -9.823 2.159 7.534 202 1HD LYS 29 1HD LYS 29 -11.319 1.317 5.738 203 2HD LYS 29 2HD LYS 29 -10.032 0.306 5.113 204 1HE LYS 29 1HE LYS 29 -10.177 -0.350 7.867 205 2HE LYS 29 2HE LYS 29 -11.848 -0.192 7.363 206 1HZ LYS 29 1HZ LYS 29 -10.633 -1.560 5.352 207 2HZ LYS 29 2HZ LYS 29 -9.990 -2.204 6.709 208 3HZ LYS 29 3HZ LYS 29 -11.610 -2.190 6.500 209 H GLU 30 H GLU 30 -8.948 3.172 2.547 210 HA GLU 30 HA GLU 30 -10.229 0.808 1.717 211 1HB GLU 30 1HB GLU 30 -11.176 2.988 1.173 212 2HB GLU 30 2HB GLU 30 -9.721 3.470 0.324 213 1HG GLU 30 1HG GLU 30 -10.304 2.336 -1.578 214 2HG GLU 30 2HG GLU 30 -10.842 0.925 -0.688 215 H CYS 31 H CYS 31 -7.197 2.526 0.826 216 HA CYS 31 HA CYS 31 -6.643 0.873 -1.389 217 1HB CYS 31 1HB CYS 31 -5.530 2.858 -1.536 218 2HB CYS 31 2HB CYS 31 -5.188 2.938 0.181 219 H ASN 32 H ASN 32 -6.085 0.758 2.132 220 HA ASN 32 HA ASN 32 -4.291 -1.466 1.846 221 1HB ASN 32 1HB ASN 32 -3.574 -0.729 3.885 222 2HB ASN 32 2HB ASN 32 -4.787 0.534 3.830 223 2HD2 ASN 32 2HD2 ASN 32 -7.060 -0.211 4.365 224 1HD2 ASN 32 1HD2 ASN 32 -7.253 -1.253 5.735 225 H ASN 33 H ASN 33 -7.596 -0.993 1.648 226 HA ASN 33 HA ASN 33 -8.284 -3.329 3.208 227 1HB ASN 33 1HB ASN 33 -9.817 -1.489 3.536 228 2HB ASN 33 2HB ASN 33 -9.898 -1.144 1.820 229 2HD2 ASN 33 2HD2 ASN 33 -10.925 -2.669 0.411 230 1HD2 ASN 33 1HD2 ASN 33 -12.210 -3.682 0.980 231 H ARG 34 H ARG 34 -8.307 -1.939 -0.127 232 HA ARG 34 HA ARG 34 -9.673 -3.946 -1.381 233 1HB ARG 34 1HB ARG 34 -8.545 -1.602 -2.180 234 2HB ARG 34 2HB ARG 34 -7.337 -2.699 -2.818 235 1HG ARG 34 1HG ARG 34 -10.334 -2.896 -3.385 236 2HG ARG 34 2HG ARG 34 -9.159 -2.181 -4.472 237 1HD ARG 34 1HD ARG 34 -7.917 -4.529 -4.201 238 2HD ARG 34 2HD ARG 34 -9.500 -5.090 -3.699 239 HE ARG 34 HE ARG 34 -8.702 -4.374 -6.398 240 1HH1 ARG 34 1HH1 ARG 34 -11.454 -4.435 -4.206 241 2HH1 ARG 34 2HH1 ARG 34 -12.627 -4.528 -5.477 242 1HH2 ARG 34 1HH2 ARG 34 -10.248 -4.497 -8.075 243 2HH2 ARG 34 2HH2 ARG 34 -11.937 -4.564 -7.693 244 H GLY 35 H GLY 35 -6.346 -3.795 -0.168 245 1HA GLY 35 1HA GLY 35 -5.806 -6.446 -1.370 246 2HA GLY 35 2HA GLY 35 -5.438 -6.050 0.297 247 H CYS 36 H CYS 36 -3.935 -4.112 0.672 248 HA CYS 36 HA CYS 36 -1.540 -4.513 -0.526 249 1HB CYS 36 1HB CYS 36 -3.209 -3.177 -2.364 250 2HB CYS 36 2HB CYS 36 -2.105 -1.962 -1.750 251 H CYS 37 H CYS 37 -0.594 -1.727 -0.577 252 HA CYS 37 HA CYS 37 -1.235 -0.974 2.183 253 1HB CYS 37 1HB CYS 37 1.378 -1.258 0.782 254 2HB CYS 37 2HB CYS 37 1.208 0.076 1.906 255 H PHE 38 H PHE 38 -1.207 1.381 2.591 256 HA PHE 38 HA PHE 38 -1.553 2.911 0.108 257 1HB PHE 38 1HB PHE 38 -3.669 2.597 1.357 258 2HB PHE 38 2HB PHE 38 -2.885 2.987 2.875 259 HD1 PHE 38 HD1 PHE 38 -4.085 4.400 -0.313 260 HD2 PHE 38 HD2 PHE 38 -2.624 5.248 3.580 261 HE1 PHE 38 HE1 PHE 38 -4.758 6.803 -0.584 262 HE2 PHE 38 HE2 PHE 38 -3.297 7.651 3.309 263 HZ PHE 38 HZ PHE 38 -4.356 8.400 1.230 264 H ASP 39 H ASP 39 -1.373 5.420 0.661 265 HA ASP 39 HA ASP 39 0.217 6.189 2.784 266 1HB ASP 39 1HB ASP 39 2.038 4.960 1.722 267 2HB ASP 39 2HB ASP 39 1.677 5.665 0.159 268 H SER 40 H SER 40 0.458 8.540 2.734 269 HA SER 40 HA SER 40 -0.448 9.795 0.276 270 1HB SER 40 1HB SER 40 -1.922 11.313 1.537 271 2HB SER 40 2HB SER 40 -2.405 9.647 1.783 272 HG SER 40 HG SER 40 -2.324 10.955 3.770 273 H ARG 41 H ARG 41 2.116 9.342 2.076 274 HA ARG 41 HA ARG 41 2.829 11.723 3.203 275 1HB ARG 41 1HB ARG 41 4.010 9.282 2.963 276 2HB ARG 41 2HB ARG 41 4.953 10.144 1.764 277 1HG ARG 41 1HG ARG 41 4.900 11.947 3.899 278 2HG ARG 41 2HG ARG 41 4.978 10.398 4.714 279 1HD ARG 41 1HD ARG 41 7.152 10.080 4.106 280 2HD ARG 41 2HD ARG 41 6.815 10.455 2.427 281 HE ARG 41 HE ARG 41 6.859 12.801 4.205 282 1HH1 ARG 41 1HH1 ARG 41 8.730 10.716 2.075 283 2HH1 ARG 41 2HH1 ARG 41 9.965 11.898 1.793 284 1HH2 ARG 41 1HH2 ARG 41 8.488 14.360 3.833 285 2HH2 ARG 41 2HH2 ARG 41 9.826 13.985 2.799 286 H ILE 42 H ILE 42 3.458 10.471 -0.152 287 HA ILE 42 HA ILE 42 3.583 13.231 -1.063 288 HB ILE 42 HB ILE 42 5.607 12.104 -2.513 289 1HG1 ILE 42 1HG1 ILE 42 7.181 11.135 -0.858 290 2HG1 ILE 42 2HG1 ILE 42 5.906 11.133 0.345 291 1HG2 ILE 42 1HG2 ILE 42 5.330 14.081 -0.347 292 2HG2 ILE 42 2HG2 ILE 42 6.972 13.427 -0.557 293 3HG2 ILE 42 3HG2 ILE 42 6.141 14.202 -1.927 294 1HD1 ILE 42 1HD1 ILE 42 5.080 9.876 -2.203 295 2HD1 ILE 42 2HD1 ILE 42 6.449 9.055 -1.414 296 3HD1 ILE 42 3HD1 ILE 42 4.917 9.277 -0.535 297 HA PRO 43 HA PRO 43 1.179 11.365 -4.144 298 1HB PRO 43 1HB PRO 43 0.902 13.503 -5.822 299 2HB PRO 43 2HB PRO 43 -0.089 13.270 -4.396 300 1HG PRO 43 1HG PRO 43 2.147 15.159 -4.810 301 2HG PRO 43 2HG PRO 43 0.892 15.194 -3.587 302 1HD PRO 43 1HD PRO 43 3.616 14.370 -3.227 303 2HD PRO 43 2HD PRO 43 2.333 14.296 -2.036 304 H GLY 44 H GLY 44 4.083 13.092 -5.025 305 1HA GLY 44 1HA GLY 44 5.757 12.387 -6.386 306 2HA GLY 44 2HA GLY 44 4.489 12.465 -7.593 307 H VAL 45 H VAL 45 4.824 10.176 -4.807 308 HA VAL 45 HA VAL 45 5.430 8.037 -6.684 309 HB VAL 45 HB VAL 45 6.314 6.906 -4.920 310 1HG1 VAL 45 1HG1 VAL 45 7.101 9.478 -5.116 311 2HG1 VAL 45 2HG1 VAL 45 6.578 9.459 -3.414 312 3HG1 VAL 45 3HG1 VAL 45 7.825 8.319 -3.975 313 1HG2 VAL 45 1HG2 VAL 45 4.315 8.331 -3.143 314 2HG2 VAL 45 2HG2 VAL 45 4.372 6.604 -3.571 315 3HG2 VAL 45 3HG2 VAL 45 5.624 7.302 -2.515 316 HA PRO 46 HA PRO 46 1.498 6.254 -6.439 317 1HB PRO 46 1HB PRO 46 1.930 3.570 -6.160 318 2HB PRO 46 2HB PRO 46 2.097 4.414 -7.687 319 1HG PRO 46 1HG PRO 46 4.213 3.409 -5.884 320 2HG PRO 46 2HG PRO 46 4.333 3.860 -7.573 321 1HD PRO 46 1HD PRO 46 5.216 5.398 -5.319 322 2HD PRO 46 2HD PRO 46 5.230 5.897 -6.998 323 H TRP 47 H TRP 47 0.618 7.312 -4.651 324 HA TRP 47 HA TRP 47 0.988 6.948 -2.090 325 1HB TRP 47 1HB TRP 47 -1.515 7.225 -3.678 326 2HB TRP 47 2HB TRP 47 -1.674 6.855 -1.973 327 HD1 TRP 47 HD1 TRP 47 1.208 9.150 -3.066 328 HE1 TRP 47 HE1 TRP 47 0.850 11.621 -2.211 329 HE3 TRP 47 HE3 TRP 47 -3.536 8.437 -1.378 330 HZ2 TRP 47 HZ2 TRP 47 -1.328 12.969 -0.953 331 HZ3 TRP 47 HZ3 TRP 47 -4.707 10.383 -0.350 332 HH2 TRP 47 HH2 TRP 47 -3.679 12.589 -0.124 333 H CYS 48 H CYS 48 -1.075 4.680 -4.058 334 HA CYS 48 HA CYS 48 -0.939 2.763 -1.901 335 1HB CYS 48 1HB CYS 48 -3.008 3.348 -3.351 336 2HB CYS 48 2HB CYS 48 -2.274 2.310 -4.557 337 H PHE 49 H PHE 49 0.708 1.274 -1.824 338 HA PHE 49 HA PHE 49 1.760 0.291 -4.355 339 1HB PHE 49 1HB PHE 49 4.090 0.559 -3.212 340 2HB PHE 49 2HB PHE 49 3.339 2.044 -3.762 341 HD1 PHE 49 HD1 PHE 49 3.649 -0.088 -0.721 342 HD2 PHE 49 HD2 PHE 49 3.101 3.818 -2.285 343 HE1 PHE 49 HE1 PHE 49 3.835 0.864 1.593 344 HE2 PHE 49 HE2 PHE 49 3.287 4.771 0.030 345 HZ PHE 49 HZ PHE 49 3.652 3.282 1.941 346 H LYS 50 H LYS 50 3.188 -1.687 -3.996 347 HA LYS 50 HA LYS 50 1.822 -3.469 -2.289 348 1HB LYS 50 1HB LYS 50 4.479 -3.911 -3.673 349 2HB LYS 50 2HB LYS 50 3.336 -5.129 -3.142 350 1HG LYS 50 1HG LYS 50 1.618 -4.070 -4.725 351 2HG LYS 50 2HG LYS 50 2.912 -3.067 -5.351 352 1HD LYS 50 1HD LYS 50 3.050 -4.839 -6.849 353 2HD LYS 50 2HD LYS 50 4.175 -5.407 -5.631 354 1HE LYS 50 1HE LYS 50 2.657 -6.988 -4.759 355 2HE LYS 50 2HE LYS 50 1.250 -6.111 -5.325 356 1HZ LYS 50 1HZ LYS 50 3.014 -7.001 -7.400 357 2HZ LYS 50 2HZ LYS 50 2.295 -8.206 -6.564 358 3HZ LYS 50 3HZ LYS 50 1.385 -7.076 -7.313 359 HA PRO 51 HA PRO 51 4.176 -3.238 1.320 360 1HB PRO 51 1HB PRO 51 4.300 -5.821 2.204 361 2HB PRO 51 2HB PRO 51 2.884 -4.808 2.401 362 1HG PRO 51 1HG PRO 51 3.324 -7.030 0.501 363 2HG PRO 51 2HG PRO 51 1.813 -6.299 1.005 364 1HD PRO 51 1HD PRO 51 3.178 -5.877 -1.482 365 2HD PRO 51 2HD PRO 51 1.729 -5.060 -0.929 366 H LEU 52 H LEU 52 6.216 -2.660 1.687 367 HA LEU 52 HA LEU 52 8.256 -3.168 0.079 368 1HB LEU 52 1HB LEU 52 8.414 -1.658 1.923 369 2HB LEU 52 2HB LEU 52 8.273 -2.960 3.088 370 HG LEU 52 HG LEU 52 10.599 -2.584 1.181 371 1HD1 LEU 52 1HD1 LEU 52 10.018 -1.059 3.411 372 2HD1 LEU 52 2HD1 LEU 52 11.140 -2.290 4.037 373 3HD1 LEU 52 3HD1 LEU 52 11.619 -1.266 2.662 374 1HD2 LEU 52 1HD2 LEU 52 9.807 -4.761 2.995 375 2HD2 LEU 52 2HD2 LEU 52 10.916 -4.762 1.603 376 3HD2 LEU 52 3HD2 LEU 52 11.485 -4.203 3.194 377 H GLN 53 H GLN 53 9.584 -4.820 -0.549 378 HA GLN 53 HA GLN 53 8.795 -7.410 0.021 379 1HB GLN 53 1HB GLN 53 11.110 -7.952 -1.062 380 2HB GLN 53 2HB GLN 53 9.901 -7.135 -2.032 381 1HG GLN 53 1HG GLN 53 11.581 -5.260 -0.474 382 2HG GLN 53 2HG GLN 53 12.512 -6.242 -1.587 383 2HE2 GLN 53 2HE2 GLN 53 11.057 -3.392 -1.286 384 1HE2 GLN 53 1HE2 GLN 53 10.583 -3.042 -2.915 385 H GLU 54 H GLU 54 8.726 -7.456 2.401 386 HA GLU 54 HA GLU 54 10.761 -6.899 4.067 387 1HB GLU 54 1HB GLU 54 9.620 -8.182 5.682 388 2HB GLU 54 2HB GLU 54 8.355 -7.768 4.542 389 1HG GLU 54 1HG GLU 54 7.991 -10.066 4.778 390 2HG GLU 54 2HG GLU 54 9.027 -10.044 3.364 391 H ALA 55 H ALA 55 12.844 -7.591 4.264 392 HA ALA 55 HA ALA 55 13.482 -10.359 4.040 393 1HB ALA 55 1HB ALA 55 14.570 -10.435 2.014 394 2HB ALA 55 2HB ALA 55 13.332 -9.221 1.612 395 3HB ALA 55 3HB ALA 55 14.979 -8.703 2.044 396 H GLU 56 H GLU 56 14.334 -10.133 6.126 397 HA GLU 56 HA GLU 56 16.030 -7.973 6.752 398 1HB GLU 56 1HB GLU 56 14.829 -10.266 8.117 399 2HB GLU 56 2HB GLU 56 16.492 -10.043 8.624 400 1HG GLU 56 1HG GLU 56 16.088 -7.782 9.344 401 2HG GLU 56 2HG GLU 56 14.561 -7.695 8.489 402 H CYS 57 H CYS 57 16.597 -11.531 6.248 403 HA CYS 57 HA CYS 57 19.337 -10.815 5.504 404 1HB CYS 57 1HB CYS 57 18.452 -12.541 7.638 405 2HB CYS 57 2HB CYS 57 19.351 -13.471 6.456 406 H THR 58 H THR 58 16.863 -13.494 5.459 407 HA THR 58 HA THR 58 17.491 -13.847 2.602 408 HB THR 58 HB THR 58 17.123 -16.300 3.022 409 HG1 THR 58 HG1 THR 58 16.880 -16.855 5.314 410 1HG2 THR 58 1HG2 THR 58 19.465 -15.228 3.376 411 2HG2 THR 58 2HG2 THR 58 19.081 -15.243 5.114 412 3HG2 THR 58 3HG2 THR 58 19.171 -16.773 4.210 413 H PHE 59 H PHE 59 15.622 -15.238 1.549 414 HA PHE 59 HA PHE 59 13.478 -13.721 1.217 415 1HB PHE 59 1HB PHE 59 14.298 -16.442 0.785 416 2HB PHE 59 2HB PHE 59 12.691 -16.557 1.474 417 HD1 PHE 59 HD1 PHE 59 14.317 -14.276 -1.009 418 HD2 PHE 59 HD2 PHE 59 11.083 -16.881 -0.131 419 HE1 PHE 59 HE1 PHE 59 13.316 -13.793 -3.260 420 HE2 PHE 59 HE2 PHE 59 10.083 -16.397 -2.382 421 HZ PHE 59 HZ PHE 59 11.212 -14.859 -3.920 No H/Q in entry = 421 Start of MODEL 33 1 H GLU 1 H GLU 1 11.497 -13.293 21.625 2 HA GLU 1 HA GLU 1 9.368 -13.843 20.663 3 1HB GLU 1 1HB GLU 1 9.570 -12.677 23.430 4 2HB GLU 1 2HB GLU 1 7.976 -13.110 22.844 5 1HG GLU 1 1HG GLU 1 9.318 -15.361 22.107 6 2HG GLU 1 2HG GLU 1 10.322 -14.880 23.461 7 H GLU 2 H GLU 2 9.148 -12.314 18.805 8 HA GLU 2 HA GLU 2 6.828 -10.846 19.025 9 1HB GLU 2 1HB GLU 2 9.254 -9.349 19.721 10 2HB GLU 2 2HB GLU 2 8.432 -8.629 18.351 11 1HG GLU 2 1HG GLU 2 6.301 -9.203 20.034 12 2HG GLU 2 2HG GLU 2 7.563 -8.823 21.188 13 H TYR 3 H TYR 3 6.747 -9.212 16.914 14 HA TYR 3 HA TYR 3 8.415 -9.994 14.756 15 1HB TYR 3 1HB TYR 3 6.449 -11.830 15.444 16 2HB TYR 3 2HB TYR 3 5.513 -10.779 14.400 17 HD1 TYR 3 HD1 TYR 3 8.287 -13.189 14.547 18 HD2 TYR 3 HD2 TYR 3 5.961 -10.658 12.000 19 HE1 TYR 3 HE1 TYR 3 9.194 -14.399 12.503 20 HE2 TYR 3 HE2 TYR 3 6.877 -11.876 9.965 21 HH TYR 3 HH TYR 3 7.971 -13.656 9.278 22 H VAL 4 H VAL 4 7.251 -9.219 12.571 23 HA VAL 4 HA VAL 4 5.416 -7.043 13.037 24 HB VAL 4 HB VAL 4 7.575 -6.033 13.554 25 1HG1 VAL 4 1HG1 VAL 4 8.775 -7.698 11.904 26 2HG1 VAL 4 2HG1 VAL 4 8.504 -6.396 10.721 27 3HG1 VAL 4 3HG1 VAL 4 9.445 -6.075 12.197 28 1HG2 VAL 4 1HG2 VAL 4 5.879 -5.200 11.287 29 2HG2 VAL 4 2HG2 VAL 4 6.396 -4.296 12.731 30 3HG2 VAL 4 3HG2 VAL 4 7.486 -4.437 11.331 31 H GLY 5 H GLY 5 3.931 -7.204 11.444 32 1HA GLY 5 1HA GLY 5 3.935 -8.982 9.399 33 2HA GLY 5 2HA GLY 5 4.757 -7.595 8.710 34 H LEU 6 H LEU 6 3.208 -5.704 10.565 35 HA LEU 6 HA LEU 6 0.604 -5.924 9.225 36 1HB LEU 6 1HB LEU 6 -0.432 -5.114 11.073 37 2HB LEU 6 2HB LEU 6 0.870 -6.028 11.808 38 HG LEU 6 HG LEU 6 1.117 -3.063 11.292 39 1HD1 LEU 6 1HD1 LEU 6 -0.916 -3.396 12.609 40 2HD1 LEU 6 2HD1 LEU 6 -0.005 -4.376 13.783 41 3HD1 LEU 6 3HD1 LEU 6 0.373 -2.648 13.583 42 1HD2 LEU 6 1HD2 LEU 6 2.607 -5.098 12.926 43 2HD2 LEU 6 2HD2 LEU 6 3.226 -3.888 11.777 44 3HD2 LEU 6 3HD2 LEU 6 2.637 -3.376 13.377 45 H SER 7 H SER 7 -0.412 -3.494 9.184 46 HA SER 7 HA SER 7 0.801 -2.224 7.163 47 1HB SER 7 1HB SER 7 -0.503 -0.172 7.911 48 2HB SER 7 2HB SER 7 -1.447 -1.641 7.765 49 HG SER 7 HG SER 7 -0.296 -0.745 10.265 50 H ALA 8 H ALA 8 1.780 0.102 7.174 51 HA ALA 8 HA ALA 8 3.219 1.637 7.950 52 1HB ALA 8 1HB ALA 8 3.846 0.127 10.468 53 2HB ALA 8 2HB ALA 8 3.669 1.879 10.203 54 3HB ALA 8 3HB ALA 8 2.225 0.842 10.296 55 H ASN 9 H ASN 9 4.462 -1.418 9.471 56 HA ASN 9 HA ASN 9 7.024 -1.086 8.671 57 1HB ASN 9 1HB ASN 9 6.520 -2.832 10.252 58 2HB ASN 9 2HB ASN 9 5.349 -3.580 9.184 59 2HD2 ASN 9 2HD2 ASN 9 5.975 -5.359 8.252 60 1HD2 ASN 9 1HD2 ASN 9 7.590 -5.815 7.821 61 H GLN 10 H GLN 10 4.898 -3.669 7.236 62 HA GLN 10 HA GLN 10 6.333 -4.080 4.997 63 1HB GLN 10 1HB GLN 10 4.257 -5.029 4.021 64 2HB GLN 10 2HB GLN 10 4.461 -5.508 5.694 65 1HG GLN 10 1HG GLN 10 3.002 -3.320 6.178 66 2HG GLN 10 2HG GLN 10 2.497 -3.535 4.513 67 2HE2 GLN 10 2HE2 GLN 10 3.252 -5.721 7.228 68 1HE2 GLN 10 1HE2 GLN 10 1.782 -6.637 7.187 69 H CYS 11 H CYS 11 4.307 -1.322 5.785 70 HA CYS 11 HA CYS 11 4.488 -0.425 3.005 71 1HB CYS 11 1HB CYS 11 2.778 1.028 4.951 72 2HB CYS 11 2HB CYS 11 2.547 0.738 3.238 73 H ALA 12 H ALA 12 6.836 -0.413 4.584 74 HA ALA 12 HA ALA 12 7.064 2.422 5.331 75 1HB ALA 12 1HB ALA 12 8.981 1.622 6.752 76 2HB ALA 12 2HB ALA 12 7.398 0.975 7.247 77 3HB ALA 12 3HB ALA 12 8.532 -0.048 6.333 78 H VAL 13 H VAL 13 7.122 2.005 2.655 79 HA VAL 13 HA VAL 13 9.870 1.489 1.878 80 HB VAL 13 HB VAL 13 7.899 2.416 -0.109 81 1HG1 VAL 13 1HG1 VAL 13 10.183 0.577 0.110 82 2HG1 VAL 13 2HG1 VAL 13 8.845 -0.053 -0.880 83 3HG1 VAL 13 3HG1 VAL 13 9.590 1.513 -1.283 84 1HG2 VAL 13 1HG2 VAL 13 7.368 0.058 1.673 85 2HG2 VAL 13 2HG2 VAL 13 6.234 1.242 0.978 86 3HG2 VAL 13 3HG2 VAL 13 6.930 -0.033 -0.050 87 HA PRO 14 HA PRO 14 10.907 5.680 1.709 88 1HB PRO 14 1HB PRO 14 12.969 5.649 -0.084 89 2HB PRO 14 2HB PRO 14 13.155 5.195 1.598 90 1HG PRO 14 1HG PRO 14 13.048 3.456 -0.790 91 2HG PRO 14 2HG PRO 14 13.646 3.082 0.814 92 1HD PRO 14 1HD PRO 14 11.140 2.266 -0.316 93 2HD PRO 14 2HD PRO 14 11.688 1.991 1.325 94 H ALA 15 H ALA 15 9.233 4.205 -0.632 95 HA ALA 15 HA ALA 15 7.775 5.197 -2.042 96 1HB ALA 15 1HB ALA 15 9.313 7.746 -2.309 97 2HB ALA 15 2HB ALA 15 7.558 7.477 -2.190 98 3HB ALA 15 3HB ALA 15 8.570 7.411 -0.727 99 H LYS 16 H LYS 16 11.299 5.354 -2.306 100 HA LYS 16 HA LYS 16 11.171 5.410 -5.200 101 1HB LYS 16 1HB LYS 16 13.600 5.524 -5.083 102 2HB LYS 16 2HB LYS 16 12.872 6.740 -4.054 103 1HG LYS 16 1HG LYS 16 14.310 5.918 -2.469 104 2HG LYS 16 2HG LYS 16 13.081 4.686 -2.255 105 1HD LYS 16 1HD LYS 16 15.210 3.554 -2.534 106 2HD LYS 16 2HD LYS 16 14.265 3.264 -3.981 107 1HE LYS 16 1HE LYS 16 15.892 4.192 -5.256 108 2HE LYS 16 2HE LYS 16 15.723 5.710 -4.398 109 1HZ LYS 16 1HZ LYS 16 17.162 4.687 -2.658 110 2HZ LYS 16 2HZ LYS 16 17.466 3.461 -3.694 111 3HZ LYS 16 3HZ LYS 16 17.905 4.986 -4.082 112 H ASP 17 H ASP 17 10.261 3.148 -3.134 113 HA ASP 17 HA ASP 17 11.481 1.055 -4.743 114 1HB ASP 17 1HB ASP 17 11.780 1.467 -1.914 115 2HB ASP 17 2HB ASP 17 10.751 0.063 -2.115 116 H ARG 18 H ARG 18 8.824 2.688 -4.570 117 HA ARG 18 HA ARG 18 6.919 0.842 -3.616 118 1HB ARG 18 1HB ARG 18 6.377 3.144 -5.543 119 2HB ARG 18 2HB ARG 18 5.273 2.454 -4.369 120 1HG ARG 18 1HG ARG 18 7.878 3.647 -3.395 121 2HG ARG 18 2HG ARG 18 6.573 4.726 -3.847 122 1HD ARG 18 1HD ARG 18 5.234 2.852 -2.288 123 2HD ARG 18 2HD ARG 18 6.797 2.916 -1.498 124 HE ARG 18 HE ARG 18 5.547 5.528 -2.131 125 1HH1 ARG 18 1HH1 ARG 18 6.202 3.054 0.283 126 2HH1 ARG 18 2HH1 ARG 18 5.890 4.101 1.627 127 1HH2 ARG 18 1HH2 ARG 18 5.135 6.911 -0.359 128 2HH2 ARG 18 2HH2 ARG 18 5.279 6.310 1.259 129 H VAL 19 H VAL 19 5.551 -0.573 -4.826 130 HA VAL 19 HA VAL 19 6.524 -1.099 -7.533 131 HB VAL 19 HB VAL 19 4.914 -2.762 -5.586 132 1HG1 VAL 19 1HG1 VAL 19 5.821 -3.295 -8.420 133 2HG1 VAL 19 2HG1 VAL 19 5.491 -4.615 -7.273 134 3HG1 VAL 19 3HG1 VAL 19 4.197 -3.474 -7.713 135 1HG2 VAL 19 1HG2 VAL 19 7.825 -2.625 -6.307 136 2HG2 VAL 19 2HG2 VAL 19 7.052 -2.824 -4.716 137 3HG2 VAL 19 3HG2 VAL 19 7.111 -4.191 -5.855 138 H ASP 20 H ASP 20 4.321 0.873 -6.146 139 HA ASP 20 HA ASP 20 2.339 1.643 -6.637 140 1HB ASP 20 1HB ASP 20 3.398 2.604 -8.542 141 2HB ASP 20 2HB ASP 20 3.554 1.058 -9.352 142 H CYS 21 H CYS 21 0.786 0.155 -5.801 143 HA CYS 21 HA CYS 21 0.282 -2.326 -7.031 144 1HB CYS 21 1HB CYS 21 -0.330 -1.121 -4.610 145 2HB CYS 21 2HB CYS 21 -1.892 -1.270 -5.390 146 H GLY 22 H GLY 22 -0.770 0.997 -7.527 147 1HA GLY 22 1HA GLY 22 -2.121 0.360 -9.936 148 2HA GLY 22 2HA GLY 22 -2.048 1.918 -9.137 149 H TYR 23 H TYR 23 -3.731 2.599 -7.741 150 HA TYR 23 HA TYR 23 -6.127 0.931 -7.923 151 1HB TYR 23 1HB TYR 23 -4.594 2.012 -5.520 152 2HB TYR 23 2HB TYR 23 -6.342 1.970 -5.404 153 HD1 TYR 23 HD1 TYR 23 -7.504 -0.314 -5.856 154 HD2 TYR 23 HD2 TYR 23 -3.328 0.098 -5.020 155 HE1 TYR 23 HE1 TYR 23 -7.392 -2.760 -5.170 156 HE2 TYR 23 HE2 TYR 23 -3.231 -2.349 -4.337 157 HH TYR 23 HH TYR 23 -6.130 -4.394 -4.541 158 HA PRO 24 HA PRO 24 -7.919 4.778 -8.781 159 1HB PRO 24 1HB PRO 24 -10.564 4.179 -8.447 160 2HB PRO 24 2HB PRO 24 -9.670 3.788 -9.902 161 1HG PRO 24 1HG PRO 24 -10.542 1.990 -7.723 162 2HG PRO 24 2HG PRO 24 -10.039 1.579 -9.351 163 1HD PRO 24 1HD PRO 24 -8.492 1.294 -6.952 164 2HD PRO 24 2HD PRO 24 -7.950 0.993 -8.591 165 H HIS 25 H HIS 25 -10.170 3.643 -6.339 166 HA HIS 25 HA HIS 25 -9.801 6.171 -5.000 167 1HB HIS 25 1HB HIS 25 -11.777 5.666 -3.819 168 2HB HIS 25 2HB HIS 25 -12.049 5.137 -5.467 169 HD1 HIS 25 HD1 HIS 25 -13.597 4.002 -2.942 170 HD2 HIS 25 HD2 HIS 25 -10.338 2.168 -4.842 171 HE1 HIS 25 HE1 HIS 25 -13.749 1.517 -2.384 172 HE2 HIS 25 HE2 HIS 25 -11.752 0.435 -3.623 173 H VAL 26 H VAL 26 -7.622 5.943 -4.221 174 HA VAL 26 HA VAL 26 -7.179 3.761 -2.344 175 HB VAL 26 HB VAL 26 -4.849 4.641 -2.363 176 1HG1 VAL 26 1HG1 VAL 26 -6.071 3.924 -5.049 177 2HG1 VAL 26 2HG1 VAL 26 -4.333 3.871 -4.667 178 3HG1 VAL 26 3HG1 VAL 26 -5.465 2.794 -3.815 179 1HG2 VAL 26 1HG2 VAL 26 -5.658 6.998 -3.064 180 2HG2 VAL 26 2HG2 VAL 26 -4.141 6.379 -3.760 181 3HG2 VAL 26 3HG2 VAL 26 -5.639 6.349 -4.722 182 H THR 27 H THR 27 -6.820 4.071 -0.129 183 HA THR 27 HA THR 27 -6.765 6.761 0.920 184 HB THR 27 HB THR 27 -8.884 6.722 1.973 185 HG1 THR 27 HG1 THR 27 -8.399 3.882 1.598 186 1HG2 THR 27 1HG2 THR 27 -9.279 4.982 -0.520 187 2HG2 THR 27 2HG2 THR 27 -10.586 5.797 0.373 188 3HG2 THR 27 3HG2 THR 27 -9.352 6.761 -0.474 189 HA PRO 28 HA PRO 28 -4.706 4.830 4.158 190 1HB PRO 28 1HB PRO 28 -5.533 6.101 6.432 191 2HB PRO 28 2HB PRO 28 -4.375 6.794 5.314 192 1HG PRO 28 1HG PRO 28 -7.222 7.489 5.700 193 2HG PRO 28 2HG PRO 28 -5.960 8.422 4.920 194 1HD PRO 28 1HD PRO 28 -8.040 6.931 3.626 195 2HD PRO 28 2HD PRO 28 -6.712 7.768 2.848 196 H LYS 29 H LYS 29 -6.966 3.373 3.271 197 HA LYS 29 HA LYS 29 -7.045 1.462 5.281 198 1HB LYS 29 1HB LYS 29 -8.455 3.441 6.281 199 2HB LYS 29 2HB LYS 29 -9.705 2.860 5.199 200 1HG LYS 29 1HG LYS 29 -8.416 0.636 6.624 201 2HG LYS 29 2HG LYS 29 -9.059 1.819 7.745 202 1HD LYS 29 1HD LYS 29 -10.934 1.287 5.538 203 2HD LYS 29 2HD LYS 29 -10.521 -0.181 6.400 204 1HE LYS 29 1HE LYS 29 -10.936 1.380 8.555 205 2HE LYS 29 2HE LYS 29 -11.912 2.294 7.422 206 1HZ LYS 29 1HZ LYS 29 -12.195 -0.591 7.911 207 2HZ LYS 29 2HZ LYS 29 -13.159 0.565 8.545 208 3HZ LYS 29 3HZ LYS 29 -13.141 0.312 6.932 209 H GLU 30 H GLU 30 -9.197 3.040 2.814 210 HA GLU 30 HA GLU 30 -10.266 0.675 1.892 211 1HB GLU 30 1HB GLU 30 -11.160 2.956 1.412 212 2HB GLU 30 2HB GLU 30 -9.794 3.273 0.362 213 1HG GLU 30 1HG GLU 30 -10.854 2.257 -1.363 214 2HG GLU 30 2HG GLU 30 -10.929 0.759 -0.458 215 H CYS 31 H CYS 31 -7.352 2.533 0.832 216 HA CYS 31 HA CYS 31 -6.764 0.918 -1.359 217 1HB CYS 31 1HB CYS 31 -5.632 2.888 -1.446 218 2HB CYS 31 2HB CYS 31 -5.317 2.929 0.278 219 H ASN 32 H ASN 32 -5.877 0.806 2.139 220 HA ASN 32 HA ASN 32 -4.192 -1.443 1.757 221 1HB ASN 32 1HB ASN 32 -3.525 -0.946 3.895 222 2HB ASN 32 2HB ASN 32 -4.538 0.478 3.759 223 2HD2 ASN 32 2HD2 ASN 32 -4.045 -2.546 5.246 224 1HD2 ASN 32 1HD2 ASN 32 -5.460 -2.610 6.242 225 H ASN 33 H ASN 33 -7.522 -0.992 1.655 226 HA ASN 33 HA ASN 33 -8.127 -3.450 3.060 227 1HB ASN 33 1HB ASN 33 -9.554 -1.412 3.463 228 2HB ASN 33 2HB ASN 33 -9.978 -1.379 1.763 229 2HD2 ASN 33 2HD2 ASN 33 -10.687 -2.607 4.826 230 1HD2 ASN 33 1HD2 ASN 33 -11.910 -3.761 4.410 231 H ARG 34 H ARG 34 -8.090 -1.841 -0.145 232 HA ARG 34 HA ARG 34 -9.578 -3.699 -1.529 233 1HB ARG 34 1HB ARG 34 -8.383 -1.324 -2.156 234 2HB ARG 34 2HB ARG 34 -7.242 -2.412 -2.921 235 1HG ARG 34 1HG ARG 34 -9.020 -1.749 -4.513 236 2HG ARG 34 2HG ARG 34 -9.070 -3.475 -4.214 237 1HD ARG 34 1HD ARG 34 -11.003 -3.303 -2.812 238 2HD ARG 34 2HD ARG 34 -10.781 -1.583 -2.560 239 HE ARG 34 HE ARG 34 -11.774 -1.142 -4.663 240 1HH1 ARG 34 1HH1 ARG 34 -11.231 -4.595 -4.254 241 2HH1 ARG 34 2HH1 ARG 34 -12.199 -5.039 -5.620 242 1HH2 ARG 34 1HH2 ARG 34 -13.052 -1.727 -6.465 243 2HH2 ARG 34 2HH2 ARG 34 -13.242 -3.396 -6.886 244 H GLY 35 H GLY 35 -6.291 -3.779 -0.267 245 1HA GLY 35 1HA GLY 35 -5.794 -6.301 -1.735 246 2HA GLY 35 2HA GLY 35 -5.437 -6.080 -0.033 247 H CYS 36 H CYS 36 -3.970 -4.074 0.484 248 HA CYS 36 HA CYS 36 -1.525 -4.466 -0.618 249 1HB CYS 36 1HB CYS 36 -3.068 -3.158 -2.531 250 2HB CYS 36 2HB CYS 36 -2.125 -1.873 -1.803 251 H CYS 37 H CYS 37 -0.664 -1.602 -0.603 252 HA CYS 37 HA CYS 37 -1.385 -0.942 2.159 253 1HB CYS 37 1HB CYS 37 1.294 -1.161 0.862 254 2HB CYS 37 2HB CYS 37 1.056 0.106 2.049 255 H PHE 38 H PHE 38 -1.359 1.408 2.618 256 HA PHE 38 HA PHE 38 -1.663 2.974 0.153 257 1HB PHE 38 1HB PHE 38 -3.765 2.672 1.441 258 2HB PHE 38 2HB PHE 38 -2.952 3.072 2.941 259 HD1 PHE 38 HD1 PHE 38 -4.252 4.448 -0.215 260 HD2 PHE 38 HD2 PHE 38 -2.600 5.350 3.588 261 HE1 PHE 38 HE1 PHE 38 -4.909 6.854 -0.501 262 HE2 PHE 38 HE2 PHE 38 -3.257 7.756 3.303 263 HZ PHE 38 HZ PHE 38 -4.403 8.479 1.262 264 H ASP 39 H ASP 39 -1.451 5.483 0.750 265 HA ASP 39 HA ASP 39 0.152 6.232 2.848 266 1HB ASP 39 1HB ASP 39 1.956 4.934 1.840 267 2HB ASP 39 2HB ASP 39 1.642 5.622 0.259 268 H SER 40 H SER 40 0.302 8.559 2.822 269 HA SER 40 HA SER 40 -0.481 9.802 0.308 270 1HB SER 40 1HB SER 40 -1.943 11.360 1.514 271 2HB SER 40 2HB SER 40 -2.447 9.710 1.824 272 HG SER 40 HG SER 40 -0.569 10.531 3.685 273 H ARG 41 H ARG 41 2.075 9.317 2.074 274 HA ARG 41 HA ARG 41 2.836 11.691 3.197 275 1HB ARG 41 1HB ARG 41 3.967 9.220 2.955 276 2HB ARG 41 2HB ARG 41 4.932 10.072 1.767 277 1HG ARG 41 1HG ARG 41 4.742 11.778 4.073 278 2HG ARG 41 2HG ARG 41 5.125 10.170 4.656 279 1HD ARG 41 1HD ARG 41 7.289 10.645 4.113 280 2HD ARG 41 2HD ARG 41 6.809 10.400 2.445 281 HE ARG 41 HE ARG 41 6.226 13.103 3.392 282 1HH1 ARG 41 1HH1 ARG 41 8.718 11.022 2.036 283 2HH1 ARG 41 2HH1 ARG 41 9.627 12.334 1.363 284 1HH2 ARG 41 1HH2 ARG 41 7.425 14.834 2.504 285 2HH2 ARG 41 2HH2 ARG 41 8.887 14.517 1.631 286 H ILE 42 H ILE 42 3.361 10.416 -0.162 287 HA ILE 42 HA ILE 42 3.547 13.158 -1.095 288 HB ILE 42 HB ILE 42 5.569 12.022 -2.529 289 1HG1 ILE 42 1HG1 ILE 42 7.130 11.024 -0.889 290 2HG1 ILE 42 2HG1 ILE 42 5.867 11.042 0.325 291 1HG2 ILE 42 1HG2 ILE 42 5.488 14.290 -1.603 292 2HG2 ILE 42 2HG2 ILE 42 5.822 13.641 0.021 293 3HG2 ILE 42 3HG2 ILE 42 7.044 13.494 -1.265 294 1HD1 ILE 42 1HD1 ILE 42 5.045 9.786 -2.238 295 2HD1 ILE 42 2HD1 ILE 42 6.357 8.937 -1.387 296 3HD1 ILE 42 3HD1 ILE 42 4.803 9.223 -0.567 297 HA PRO 43 HA PRO 43 1.142 11.270 -4.163 298 1HB PRO 43 1HB PRO 43 0.882 13.391 -5.866 299 2HB PRO 43 2HB PRO 43 -0.115 13.179 -4.441 300 1HG PRO 43 1HG PRO 43 2.133 15.051 -4.868 301 2HG PRO 43 2HG PRO 43 0.875 15.107 -3.650 302 1HD PRO 43 1HD PRO 43 3.593 14.272 -3.273 303 2HD PRO 43 2HD PRO 43 2.306 14.219 -2.085 304 H GLY 44 H GLY 44 4.054 12.977 -5.060 305 1HA GLY 44 1HA GLY 44 5.727 12.258 -6.413 306 2HA GLY 44 2HA GLY 44 4.458 12.307 -7.621 307 H VAL 45 H VAL 45 4.774 10.073 -4.791 308 HA VAL 45 HA VAL 45 5.399 7.900 -6.626 309 HB VAL 45 HB VAL 45 6.268 6.795 -4.832 310 1HG1 VAL 45 1HG1 VAL 45 7.031 9.400 -5.083 311 2HG1 VAL 45 2HG1 VAL 45 6.603 9.339 -3.357 312 3HG1 VAL 45 3HG1 VAL 45 7.821 8.218 -4.011 313 1HG2 VAL 45 1HG2 VAL 45 4.188 8.224 -3.180 314 2HG2 VAL 45 2HG2 VAL 45 4.449 6.477 -3.401 315 3HG2 VAL 45 3HG2 VAL 45 5.582 7.428 -2.410 316 HA PRO 46 HA PRO 46 1.477 6.098 -6.339 317 1HB PRO 46 1HB PRO 46 1.914 3.428 -5.953 318 2HB PRO 46 2HB PRO 46 2.093 4.213 -7.509 319 1HG PRO 46 1HG PRO 46 4.195 3.285 -5.650 320 2HG PRO 46 2HG PRO 46 4.329 3.671 -7.354 321 1HD PRO 46 1HD PRO 46 5.187 5.297 -5.152 322 2HD PRO 46 2HD PRO 46 5.215 5.732 -6.850 323 H TRP 47 H TRP 47 0.523 7.185 -4.625 324 HA TRP 47 HA TRP 47 0.897 6.910 -2.032 325 1HB TRP 47 1HB TRP 47 -1.570 7.206 -3.665 326 2HB TRP 47 2HB TRP 47 -1.776 6.854 -1.961 327 HD1 TRP 47 HD1 TRP 47 1.161 9.095 -3.032 328 HE1 TRP 47 HE1 TRP 47 0.833 11.576 -2.196 329 HE3 TRP 47 HE3 TRP 47 -3.607 8.464 -1.383 330 HZ2 TRP 47 HZ2 TRP 47 -1.336 12.965 -0.966 331 HZ3 TRP 47 HZ3 TRP 47 -4.758 10.433 -0.378 332 HH2 TRP 47 HH2 TRP 47 -3.700 12.625 -0.156 333 H CYS 48 H CYS 48 -1.041 4.580 -4.041 334 HA CYS 48 HA CYS 48 -0.992 2.728 -1.806 335 1HB CYS 48 1HB CYS 48 -3.070 3.305 -3.226 336 2HB CYS 48 2HB CYS 48 -2.359 2.270 -4.448 337 H PHE 49 H PHE 49 0.845 1.474 -1.697 338 HA PHE 49 HA PHE 49 1.824 0.378 -4.233 339 1HB PHE 49 1HB PHE 49 4.132 0.598 -3.031 340 2HB PHE 49 2HB PHE 49 3.413 2.098 -3.582 341 HD1 PHE 49 HD1 PHE 49 3.595 -0.073 -0.557 342 HD2 PHE 49 HD2 PHE 49 3.188 3.861 -2.094 343 HE1 PHE 49 HE1 PHE 49 3.738 0.852 1.772 344 HE2 PHE 49 HE2 PHE 49 3.330 4.786 0.235 345 HZ PHE 49 HZ PHE 49 3.603 3.271 2.140 346 H LYS 50 H LYS 50 3.257 -1.610 -3.852 347 HA LYS 50 HA LYS 50 1.826 -3.388 -2.164 348 1HB LYS 50 1HB LYS 50 4.444 -3.922 -3.582 349 2HB LYS 50 2HB LYS 50 3.229 -5.084 -3.089 350 1HG LYS 50 1HG LYS 50 1.586 -3.878 -4.649 351 2HG LYS 50 2HG LYS 50 2.944 -2.945 -5.246 352 1HD LYS 50 1HD LYS 50 2.915 -4.704 -6.787 353 2HD LYS 50 2HD LYS 50 4.075 -5.311 -5.622 354 1HE LYS 50 1HE LYS 50 2.541 -6.848 -4.684 355 2HE LYS 50 2HE LYS 50 1.141 -5.942 -5.223 356 1HZ LYS 50 1HZ LYS 50 2.992 -7.279 -7.068 357 2HZ LYS 50 2HZ LYS 50 1.620 -7.967 -6.511 358 3HZ LYS 50 3HZ LYS 50 1.543 -6.621 -7.433 359 HA PRO 51 HA PRO 51 4.276 -3.281 1.388 360 1HB PRO 51 1HB PRO 51 4.380 -5.883 2.218 361 2HB PRO 51 2HB PRO 51 2.986 -4.852 2.469 362 1HG PRO 51 1HG PRO 51 3.343 -7.043 0.516 363 2HG PRO 51 2HG PRO 51 1.857 -6.298 1.072 364 1HD PRO 51 1HD PRO 51 3.167 -5.848 -1.440 365 2HD PRO 51 2HD PRO 51 1.746 -5.020 -0.836 366 H LEU 52 H LEU 52 6.324 -2.653 1.562 367 HA LEU 52 HA LEU 52 8.301 -3.254 -0.082 368 1HB LEU 52 1HB LEU 52 8.525 -1.662 1.691 369 2HB LEU 52 2HB LEU 52 8.441 -2.915 2.913 370 HG LEU 52 HG LEU 52 10.679 -2.616 0.890 371 1HD1 LEU 52 1HD1 LEU 52 10.166 -1.080 3.192 372 2HD1 LEU 52 2HD1 LEU 52 11.470 -2.209 3.631 373 3HD1 LEU 52 3HD1 LEU 52 11.658 -1.138 2.222 374 1HD2 LEU 52 1HD2 LEU 52 9.976 -4.712 2.833 375 2HD2 LEU 52 2HD2 LEU 52 11.020 -4.774 1.393 376 3HD2 LEU 52 3HD2 LEU 52 11.661 -4.145 2.930 377 H GLN 53 H GLN 53 9.662 -4.919 -0.636 378 HA GLN 53 HA GLN 53 8.866 -7.486 0.027 379 1HB GLN 53 1HB GLN 53 11.126 -8.105 -1.066 380 2HB GLN 53 2HB GLN 53 9.977 -7.218 -2.047 381 1HG GLN 53 1HG GLN 53 11.832 -5.520 -0.435 382 2HG GLN 53 2HG GLN 53 12.603 -6.474 -1.687 383 2HE2 GLN 53 2HE2 GLN 53 11.548 -3.544 -1.115 384 1HE2 GLN 53 1HE2 GLN 53 10.933 -3.039 -2.654 385 H GLU 54 H GLU 54 8.797 -7.468 2.401 386 HA GLU 54 HA GLU 54 10.859 -6.857 4.035 387 1HB GLU 54 1HB GLU 54 9.703 -8.047 5.715 388 2HB GLU 54 2HB GLU 54 8.441 -7.624 4.576 389 1HG GLU 54 1HG GLU 54 8.966 -9.954 3.469 390 2HG GLU 54 2HG GLU 54 9.785 -10.318 4.975 391 H ALA 55 H ALA 55 12.950 -7.545 4.092 392 HA ALA 55 HA ALA 55 13.487 -10.373 3.982 393 1HB ALA 55 1HB ALA 55 14.666 -10.452 1.998 394 2HB ALA 55 2HB ALA 55 13.428 -9.250 1.561 395 3HB ALA 55 3HB ALA 55 15.059 -8.717 2.034 396 H GLU 56 H GLU 56 15.936 -10.729 4.365 397 HA GLU 56 HA GLU 56 16.746 -8.677 6.255 398 1HB GLU 56 1HB GLU 56 16.634 -11.508 6.407 399 2HB GLU 56 2HB GLU 56 18.342 -11.120 6.337 400 1HG GLU 56 1HG GLU 56 17.762 -9.291 8.148 401 2HG GLU 56 2HG GLU 56 16.289 -10.211 8.380 402 H CYS 57 H CYS 57 18.085 -10.878 3.692 403 HA CYS 57 HA CYS 57 20.378 -9.093 3.496 404 1HB CYS 57 1HB CYS 57 19.866 -11.943 2.808 405 2HB CYS 57 2HB CYS 57 20.991 -11.064 1.791 406 H THR 58 H THR 58 20.738 -7.856 1.620 407 HA THR 58 HA THR 58 18.500 -7.804 -0.265 408 HB THR 58 HB THR 58 19.477 -5.560 -0.825 409 HG1 THR 58 HG1 THR 58 21.563 -5.260 -0.135 410 1HG2 THR 58 1HG2 THR 58 17.958 -5.812 1.243 411 2HG2 THR 58 2HG2 THR 58 19.447 -5.918 2.212 412 3HG2 THR 58 3HG2 THR 58 19.086 -4.435 1.295 413 H PHE 59 H PHE 59 19.176 -7.204 -2.607 414 HA PHE 59 HA PHE 59 20.202 -9.310 -3.845 415 1HB PHE 59 1HB PHE 59 19.351 -6.846 -4.572 416 2HB PHE 59 2HB PHE 59 21.067 -6.515 -4.706 417 HD1 PHE 59 HD1 PHE 59 22.339 -8.589 -6.003 418 HD2 PHE 59 HD2 PHE 59 18.319 -7.347 -6.559 419 HE1 PHE 59 HE1 PHE 59 22.351 -9.583 -8.307 420 HE2 PHE 59 HE2 PHE 59 18.331 -8.341 -8.863 421 HZ PHE 59 HZ PHE 59 20.347 -9.447 -9.710 No H/Q in entry = 421 Start of MODEL 34 1 H GLU 1 H GLU 1 5.641 -9.713 23.111 2 HA GLU 1 HA GLU 1 7.154 -10.194 21.569 3 1HB GLU 1 1HB GLU 1 7.368 -12.519 22.945 4 2HB GLU 1 2HB GLU 1 6.654 -13.151 21.475 5 1HG GLU 1 1HG GLU 1 8.836 -13.216 20.757 6 2HG GLU 1 2HG GLU 1 8.546 -11.533 20.366 7 H GLU 2 H GLU 2 5.896 -9.134 20.006 8 HA GLU 2 HA GLU 2 4.587 -10.915 18.177 9 1HB GLU 2 1HB GLU 2 2.488 -9.598 18.107 10 2HB GLU 2 2HB GLU 2 2.736 -10.321 19.683 11 1HG GLU 2 1HG GLU 2 3.124 -8.282 20.724 12 2HG GLU 2 2HG GLU 2 3.884 -7.578 19.310 13 H TYR 3 H TYR 3 4.537 -10.080 16.023 14 HA TYR 3 HA TYR 3 4.965 -7.401 15.380 15 1HB TYR 3 1HB TYR 3 7.211 -8.033 16.463 16 2HB TYR 3 2HB TYR 3 7.389 -9.303 15.269 17 HD1 TYR 3 HD1 TYR 3 6.600 -5.624 15.248 18 HD2 TYR 3 HD2 TYR 3 8.861 -8.835 13.550 19 HE1 TYR 3 HE1 TYR 3 7.748 -3.992 13.673 20 HE2 TYR 3 HE2 TYR 3 10.002 -7.192 11.981 21 HH TYR 3 HH TYR 3 8.847 -4.195 11.361 22 H VAL 4 H VAL 4 5.712 -7.205 12.971 23 HA VAL 4 HA VAL 4 5.643 -7.892 10.848 24 HB VAL 4 HB VAL 4 4.843 -10.663 11.710 25 1HG1 VAL 4 1HG1 VAL 4 5.258 -9.494 9.220 26 2HG1 VAL 4 2HG1 VAL 4 6.777 -10.365 9.541 27 3HG1 VAL 4 3HG1 VAL 4 5.226 -11.237 9.580 28 1HG2 VAL 4 1HG2 VAL 4 7.476 -9.287 12.054 29 2HG2 VAL 4 2HG2 VAL 4 6.702 -10.548 13.044 30 3HG2 VAL 4 3HG2 VAL 4 7.481 -10.980 11.503 31 H GLY 5 H GLY 5 3.753 -6.339 11.281 32 1HA GLY 5 1HA GLY 5 1.136 -7.623 11.286 33 2HA GLY 5 2HA GLY 5 1.601 -6.812 9.804 34 H LEU 6 H LEU 6 2.971 -5.552 12.785 35 HA LEU 6 HA LEU 6 0.839 -3.602 13.069 36 1HB LEU 6 1HB LEU 6 1.550 -3.298 15.182 37 2HB LEU 6 2HB LEU 6 2.136 -4.930 14.930 38 HG LEU 6 HG LEU 6 3.848 -2.457 14.575 39 1HD1 LEU 6 1HD1 LEU 6 2.988 -3.830 17.004 40 2HD1 LEU 6 2HD1 LEU 6 4.759 -3.768 16.834 41 3HD1 LEU 6 3HD1 LEU 6 3.808 -2.264 16.795 42 1HD2 LEU 6 1HD2 LEU 6 4.558 -4.487 13.332 43 2HD2 LEU 6 2HD2 LEU 6 5.724 -3.966 14.572 44 3HD2 LEU 6 3HD2 LEU 6 4.660 -5.359 14.880 45 H SER 7 H SER 7 1.488 -1.244 13.323 46 HA SER 7 HA SER 7 2.229 0.563 12.373 47 1HB SER 7 1HB SER 7 4.815 0.537 11.832 48 2HB SER 7 2HB SER 7 4.267 0.442 13.494 49 HG SER 7 HG SER 7 5.945 -1.189 12.608 50 H ALA 8 H ALA 8 3.868 1.316 10.300 51 HA ALA 8 HA ALA 8 2.589 -0.015 8.056 52 1HB ALA 8 1HB ALA 8 3.799 2.002 6.880 53 2HB ALA 8 2HB ALA 8 3.987 2.614 8.540 54 3HB ALA 8 3HB ALA 8 2.362 2.303 7.885 55 H ASN 9 H ASN 9 4.515 -1.602 9.450 56 HA ASN 9 HA ASN 9 7.069 -1.418 8.562 57 1HB ASN 9 1HB ASN 9 5.310 -3.839 9.169 58 2HB ASN 9 2HB ASN 9 7.007 -4.027 8.773 59 2HD2 ASN 9 2HD2 ASN 9 5.297 -4.389 11.251 60 1HD2 ASN 9 1HD2 ASN 9 6.151 -3.578 12.521 61 H GLN 10 H GLN 10 4.362 -3.439 7.170 62 HA GLN 10 HA GLN 10 5.793 -4.234 4.937 63 1HB GLN 10 1HB GLN 10 3.446 -4.739 4.011 64 2HB GLN 10 2HB GLN 10 3.876 -5.512 5.524 65 1HG GLN 10 1HG GLN 10 2.748 -2.944 6.171 66 2HG GLN 10 2HG GLN 10 1.691 -3.692 4.990 67 2HE2 GLN 10 2HE2 GLN 10 2.761 -3.624 8.211 68 1HE2 GLN 10 1HE2 GLN 10 1.871 -4.969 8.842 69 H CYS 11 H CYS 11 4.151 -1.234 5.737 70 HA CYS 11 HA CYS 11 4.463 -0.385 2.949 71 1HB CYS 11 1HB CYS 11 2.750 1.228 4.737 72 2HB CYS 11 2HB CYS 11 2.564 0.833 3.040 73 H ALA 12 H ALA 12 6.747 -0.486 4.523 74 HA ALA 12 HA ALA 12 7.071 2.287 5.444 75 1HB ALA 12 1HB ALA 12 9.103 1.195 6.646 76 2HB ALA 12 2HB ALA 12 7.474 0.886 7.294 77 3HB ALA 12 3HB ALA 12 8.287 -0.349 6.302 78 H VAL 13 H VAL 13 7.071 1.926 2.706 79 HA VAL 13 HA VAL 13 9.812 1.477 1.884 80 HB VAL 13 HB VAL 13 7.827 2.490 -0.044 81 1HG1 VAL 13 1HG1 VAL 13 10.103 0.633 0.083 82 2HG1 VAL 13 2HG1 VAL 13 8.752 0.044 -0.916 83 3HG1 VAL 13 3HG1 VAL 13 9.499 1.621 -1.269 84 1HG2 VAL 13 1HG2 VAL 13 7.296 0.059 1.640 85 2HG2 VAL 13 2HG2 VAL 13 6.165 1.284 1.018 86 3HG2 VAL 13 3HG2 VAL 13 6.835 0.053 -0.080 87 HA PRO 14 HA PRO 14 10.832 5.677 1.926 88 1HB PRO 14 1HB PRO 14 12.941 5.714 0.188 89 2HB PRO 14 2HB PRO 14 13.084 5.202 1.858 90 1HG PRO 14 1HG PRO 14 13.047 3.547 -0.591 91 2HG PRO 14 2HG PRO 14 13.604 3.119 1.014 92 1HD PRO 14 1HD PRO 14 11.131 2.336 -0.209 93 2HD PRO 14 2HD PRO 14 11.637 2.006 1.436 94 H ALA 15 H ALA 15 9.224 4.280 -0.506 95 HA ALA 15 HA ALA 15 7.798 5.320 -1.916 96 1HB ALA 15 1HB ALA 15 9.349 7.873 -2.062 97 2HB ALA 15 2HB ALA 15 7.590 7.606 -2.001 98 3HB ALA 15 3HB ALA 15 8.560 7.490 -0.513 99 H LYS 16 H LYS 16 11.274 5.181 -2.064 100 HA LYS 16 HA LYS 16 11.265 5.469 -4.961 101 1HB LYS 16 1HB LYS 16 13.715 5.385 -4.734 102 2HB LYS 16 2HB LYS 16 12.998 6.661 -3.770 103 1HG LYS 16 1HG LYS 16 14.669 5.527 -2.406 104 2HG LYS 16 2HG LYS 16 13.086 5.154 -1.752 105 1HD LYS 16 1HD LYS 16 13.135 2.930 -2.508 106 2HD LYS 16 2HD LYS 16 14.231 3.287 -3.828 107 1HE LYS 16 1HE LYS 16 16.110 3.576 -2.245 108 2HE LYS 16 2HE LYS 16 15.032 3.362 -0.880 109 1HZ LYS 16 1HZ LYS 16 14.528 1.168 -2.247 110 2HZ LYS 16 2HZ LYS 16 16.084 1.393 -2.688 111 3HZ LYS 16 3HZ LYS 16 15.695 1.256 -1.108 112 H ASP 17 H ASP 17 10.160 3.162 -3.053 113 HA ASP 17 HA ASP 17 11.330 1.088 -4.723 114 1HB ASP 17 1HB ASP 17 11.507 1.341 -1.849 115 2HB ASP 17 2HB ASP 17 10.479 -0.033 -2.202 116 H ARG 18 H ARG 18 8.739 2.867 -4.454 117 HA ARG 18 HA ARG 18 6.734 1.020 -3.721 118 1HB ARG 18 1HB ARG 18 6.344 3.552 -5.379 119 2HB ARG 18 2HB ARG 18 5.174 2.780 -4.327 120 1HG ARG 18 1HG ARG 18 7.797 4.016 -3.362 121 2HG ARG 18 2HG ARG 18 6.248 4.835 -3.318 122 1HD ARG 18 1HD ARG 18 5.431 2.699 -1.986 123 2HD ARG 18 2HD ARG 18 7.140 2.408 -1.728 124 HE ARG 18 HE ARG 18 7.097 4.099 -0.131 125 1HH1 ARG 18 1HH1 ARG 18 4.566 4.744 -2.489 126 2HH1 ARG 18 2HH1 ARG 18 3.990 6.159 -1.673 127 1HH2 ARG 18 1HH2 ARG 18 6.337 5.966 0.946 128 2HH2 ARG 18 2HH2 ARG 18 5.004 6.859 0.294 129 H VAL 19 H VAL 19 6.173 -0.714 -5.002 130 HA VAL 19 HA VAL 19 6.842 -0.708 -7.787 131 HB VAL 19 HB VAL 19 5.361 -2.688 -6.045 132 1HG1 VAL 19 1HG1 VAL 19 6.243 -2.765 -8.920 133 2HG1 VAL 19 2HG1 VAL 19 6.208 -4.263 -7.960 134 3HG1 VAL 19 3HG1 VAL 19 4.718 -3.315 -8.184 135 1HG2 VAL 19 1HG2 VAL 19 7.871 -2.038 -5.608 136 2HG2 VAL 19 2HG2 VAL 19 7.371 -3.747 -5.606 137 3HG2 VAL 19 3HG2 VAL 19 8.173 -3.056 -7.037 138 H ASP 20 H ASP 20 4.375 0.708 -6.005 139 HA ASP 20 HA ASP 20 2.437 1.542 -6.497 140 1HB ASP 20 1HB ASP 20 3.339 2.593 -8.437 141 2HB ASP 20 2HB ASP 20 3.513 1.074 -9.293 142 H CYS 21 H CYS 21 0.589 0.370 -5.962 143 HA CYS 21 HA CYS 21 0.274 -2.274 -7.052 144 1HB CYS 21 1HB CYS 21 -0.360 -1.059 -4.630 145 2HB CYS 21 2HB CYS 21 -1.916 -1.285 -5.404 146 H GLY 22 H GLY 22 -0.833 1.026 -7.553 147 1HA GLY 22 1HA GLY 22 -2.203 0.353 -9.943 148 2HA GLY 22 2HA GLY 22 -2.136 1.919 -9.160 149 H TYR 23 H TYR 23 -3.854 2.637 -7.868 150 HA TYR 23 HA TYR 23 -6.231 0.961 -8.000 151 1HB TYR 23 1HB TYR 23 -4.672 1.947 -5.575 152 2HB TYR 23 2HB TYR 23 -6.419 1.924 -5.448 153 HD1 TYR 23 HD1 TYR 23 -3.399 -0.162 -5.818 154 HD2 TYR 23 HD2 TYR 23 -7.644 -0.165 -5.292 155 HE1 TYR 23 HE1 TYR 23 -3.329 -2.630 -5.212 156 HE2 TYR 23 HE2 TYR 23 -7.561 -2.633 -4.687 157 HH TYR 23 HH TYR 23 -5.070 -4.153 -3.667 158 HA PRO 24 HA PRO 24 -8.002 4.846 -8.719 159 1HB PRO 24 1HB PRO 24 -10.649 4.258 -8.374 160 2HB PRO 24 2HB PRO 24 -9.773 3.904 -9.850 161 1HG PRO 24 1HG PRO 24 -10.638 2.049 -7.718 162 2HG PRO 24 2HG PRO 24 -10.155 1.683 -9.362 163 1HD PRO 24 1HD PRO 24 -8.585 1.313 -6.990 164 2HD PRO 24 2HD PRO 24 -8.063 1.057 -8.643 165 H HIS 25 H HIS 25 -10.210 3.632 -6.269 166 HA HIS 25 HA HIS 25 -9.854 6.128 -4.876 167 1HB HIS 25 1HB HIS 25 -11.733 5.414 -3.532 168 2HB HIS 25 2HB HIS 25 -12.098 5.218 -5.235 169 HD1 HIS 25 HD1 HIS 25 -13.906 3.587 -3.673 170 HD2 HIS 25 HD2 HIS 25 -10.035 2.209 -4.517 171 HE1 HIS 25 HE1 HIS 25 -13.972 1.051 -3.391 172 HE2 HIS 25 HE2 HIS 25 -11.580 0.257 -3.976 173 H VAL 26 H VAL 26 -7.622 5.896 -4.210 174 HA VAL 26 HA VAL 26 -7.101 3.712 -2.354 175 HB VAL 26 HB VAL 26 -4.775 4.565 -2.476 176 1HG1 VAL 26 1HG1 VAL 26 -6.151 3.884 -5.094 177 2HG1 VAL 26 2HG1 VAL 26 -4.387 3.877 -4.854 178 3HG1 VAL 26 3HG1 VAL 26 -5.416 2.755 -3.931 179 1HG2 VAL 26 1HG2 VAL 26 -5.619 6.945 -3.112 180 2HG2 VAL 26 2HG2 VAL 26 -4.107 6.340 -3.830 181 3HG2 VAL 26 3HG2 VAL 26 -5.614 6.320 -4.778 182 H THR 27 H THR 27 -6.764 4.002 -0.154 183 HA THR 27 HA THR 27 -6.580 6.683 0.907 184 HB THR 27 HB THR 27 -8.680 6.700 2.020 185 HG1 THR 27 HG1 THR 27 -9.784 4.648 2.338 186 1HG2 THR 27 1HG2 THR 27 -9.190 5.093 -0.539 187 2HG2 THR 27 2HG2 THR 27 -10.439 5.945 0.399 188 3HG2 THR 27 3HG2 THR 27 -9.158 6.869 -0.423 189 HA PRO 28 HA PRO 28 -4.518 4.644 4.071 190 1HB PRO 28 1HB PRO 28 -5.141 6.037 6.338 191 2HB PRO 28 2HB PRO 28 -3.977 6.601 5.156 192 1HG PRO 28 1HG PRO 28 -6.738 7.543 5.634 193 2HG PRO 28 2HG PRO 28 -5.437 8.347 4.779 194 1HD PRO 28 1HD PRO 28 -7.685 7.003 3.610 195 2HD PRO 28 2HD PRO 28 -6.325 7.706 2.758 196 H LYS 29 H LYS 29 -6.902 3.339 3.313 197 HA LYS 29 HA LYS 29 -7.063 1.504 5.384 198 1HB LYS 29 1HB LYS 29 -8.270 3.614 6.374 199 2HB LYS 29 2HB LYS 29 -9.602 3.113 5.352 200 1HG LYS 29 1HG LYS 29 -8.222 1.114 7.178 201 2HG LYS 29 2HG LYS 29 -9.468 2.177 7.803 202 1HD LYS 29 1HD LYS 29 -10.880 1.330 5.732 203 2HD LYS 29 2HD LYS 29 -9.719 0.019 5.686 204 1HE LYS 29 1HE LYS 29 -10.220 -0.333 8.201 205 2HE LYS 29 2HE LYS 29 -11.567 0.768 7.992 206 1HZ LYS 29 1HZ LYS 29 -11.800 -0.980 5.937 207 2HZ LYS 29 2HZ LYS 29 -11.337 -1.928 7.184 208 3HZ LYS 29 3HZ LYS 29 -12.674 -1.000 7.317 209 H GLU 30 H GLU 30 -8.674 3.186 2.655 210 HA GLU 30 HA GLU 30 -10.094 0.839 1.919 211 1HB GLU 30 1HB GLU 30 -10.860 3.222 1.487 212 2HB GLU 30 2HB GLU 30 -9.599 3.360 0.278 213 1HG GLU 30 1HG GLU 30 -10.861 2.268 -1.259 214 2HG GLU 30 2HG GLU 30 -11.088 0.905 -0.181 215 H CYS 31 H CYS 31 -7.088 2.535 0.918 216 HA CYS 31 HA CYS 31 -6.646 0.862 -1.320 217 1HB CYS 31 1HB CYS 31 -5.566 2.856 -1.564 218 2HB CYS 31 2HB CYS 31 -5.136 2.975 0.131 219 H ASN 32 H ASN 32 -6.063 0.729 2.167 220 HA ASN 32 HA ASN 32 -4.220 -1.467 1.822 221 1HB ASN 32 1HB ASN 32 -3.463 -0.942 3.941 222 2HB ASN 32 2HB ASN 32 -4.288 0.578 3.662 223 2HD2 ASN 32 2HD2 ASN 32 -3.780 -1.469 5.969 224 1HD2 ASN 32 1HD2 ASN 32 -5.295 -1.532 6.807 225 H ASN 33 H ASN 33 -7.479 -1.079 1.652 226 HA ASN 33 HA ASN 33 -8.105 -3.330 3.373 227 1HB ASN 33 1HB ASN 33 -9.659 -1.560 3.771 228 2HB ASN 33 2HB ASN 33 -9.741 -1.120 2.077 229 2HD2 ASN 33 2HD2 ASN 33 -12.021 -1.192 2.301 230 1HD2 ASN 33 1HD2 ASN 33 -12.893 -2.687 2.225 231 H ARG 34 H ARG 34 -8.323 -2.020 0.010 232 HA ARG 34 HA ARG 34 -9.746 -4.055 -1.121 233 1HB ARG 34 1HB ARG 34 -8.597 -1.734 -2.025 234 2HB ARG 34 2HB ARG 34 -7.502 -2.896 -2.744 235 1HG ARG 34 1HG ARG 34 -10.543 -2.939 -3.050 236 2HG ARG 34 2HG ARG 34 -9.424 -2.326 -4.251 237 1HD ARG 34 1HD ARG 34 -8.347 -4.596 -4.388 238 2HD ARG 34 2HD ARG 34 -9.498 -5.202 -3.213 239 HE ARG 34 HE ARG 34 -11.234 -5.080 -4.841 240 1HH1 ARG 34 1HH1 ARG 34 -8.213 -3.774 -6.085 241 2HH1 ARG 34 2HH1 ARG 34 -8.743 -3.773 -7.734 242 1HH2 ARG 34 1HH2 ARG 34 -11.935 -5.079 -7.016 243 2HH2 ARG 34 2HH2 ARG 34 -10.875 -4.520 -8.267 244 H GLY 35 H GLY 35 -6.273 -3.797 -0.290 245 1HA GLY 35 1HA GLY 35 -5.807 -6.481 -1.430 246 2HA GLY 35 2HA GLY 35 -5.407 -6.120 0.238 247 H CYS 36 H CYS 36 -3.906 -4.182 0.624 248 HA CYS 36 HA CYS 36 -1.527 -4.547 -0.601 249 1HB CYS 36 1HB CYS 36 -3.238 -3.187 -2.408 250 2HB CYS 36 2HB CYS 36 -2.073 -2.011 -1.830 251 H CYS 37 H CYS 37 -0.581 -1.774 -0.656 252 HA CYS 37 HA CYS 37 -1.221 -1.005 2.100 253 1HB CYS 37 1HB CYS 37 1.391 -1.275 0.688 254 2HB CYS 37 2HB CYS 37 1.215 0.046 1.826 255 H PHE 38 H PHE 38 -1.135 1.366 2.497 256 HA PHE 38 HA PHE 38 -1.506 2.882 0.009 257 1HB PHE 38 1HB PHE 38 -3.626 2.571 1.249 258 2HB PHE 38 2HB PHE 38 -2.849 2.961 2.770 259 HD1 PHE 38 HD1 PHE 38 -4.023 4.378 -0.427 260 HD2 PHE 38 HD2 PHE 38 -2.599 5.219 3.481 261 HE1 PHE 38 HE1 PHE 38 -4.693 6.782 -0.700 262 HE2 PHE 38 HE2 PHE 38 -3.269 7.622 3.208 263 HZ PHE 38 HZ PHE 38 -4.308 8.375 1.121 264 H ASP 39 H ASP 39 -1.351 5.400 0.585 265 HA ASP 39 HA ASP 39 0.268 6.144 2.703 266 1HB ASP 39 1HB ASP 39 2.120 5.028 1.650 267 2HB ASP 39 2HB ASP 39 1.659 5.593 0.057 268 H SER 40 H SER 40 0.465 8.496 2.709 269 HA SER 40 HA SER 40 -0.511 9.798 0.302 270 1HB SER 40 1HB SER 40 -1.972 11.267 1.638 271 2HB SER 40 2HB SER 40 -2.433 9.589 1.843 272 HG SER 40 HG SER 40 -1.645 11.394 3.742 273 H ARG 41 H ARG 41 2.099 9.338 2.034 274 HA ARG 41 HA ARG 41 2.793 11.727 3.180 275 1HB ARG 41 1HB ARG 41 3.988 9.301 2.962 276 2HB ARG 41 2HB ARG 41 4.910 10.142 1.731 277 1HG ARG 41 1HG ARG 41 4.788 11.936 3.939 278 2HG ARG 41 2HG ARG 41 5.099 10.360 4.639 279 1HD ARG 41 1HD ARG 41 6.695 11.038 2.192 280 2HD ARG 41 2HD ARG 41 7.065 11.972 3.628 281 HE ARG 41 HE ARG 41 6.951 9.305 4.499 282 1HH1 ARG 41 1HH1 ARG 41 8.838 11.142 2.165 283 2HH1 ARG 41 2HH1 ARG 41 10.237 10.132 2.310 284 1HH2 ARG 41 1HH2 ARG 41 8.797 7.973 4.691 285 2HH2 ARG 41 2HH2 ARG 41 10.214 8.317 3.757 286 H ILE 42 H ILE 42 3.425 10.471 -0.173 287 HA ILE 42 HA ILE 42 3.514 13.227 -1.097 288 HB ILE 42 HB ILE 42 5.559 12.130 -2.536 289 1HG1 ILE 42 1HG1 ILE 42 7.144 11.185 -0.881 290 2HG1 ILE 42 2HG1 ILE 42 5.871 11.169 0.324 291 1HG2 ILE 42 1HG2 ILE 42 5.379 13.998 -0.206 292 2HG2 ILE 42 2HG2 ILE 42 6.984 13.507 -0.799 293 3HG2 ILE 42 3HG2 ILE 42 5.838 14.312 -1.897 294 1HD1 ILE 42 1HD1 ILE 42 5.063 9.893 -2.221 295 2HD1 ILE 42 2HD1 ILE 42 6.439 9.093 -1.427 296 3HD1 ILE 42 3HD1 ILE 42 4.903 9.299 -0.551 297 HA PRO 43 HA PRO 43 1.155 11.314 -4.183 298 1HB PRO 43 1HB PRO 43 0.885 13.429 -5.892 299 2HB PRO 43 2HB PRO 43 -0.118 13.211 -4.472 300 1HG PRO 43 1HG PRO 43 2.114 15.103 -4.892 301 2HG PRO 43 2HG PRO 43 0.848 15.150 -3.680 302 1HD PRO 43 1HD PRO 43 3.572 14.342 -3.286 303 2HD PRO 43 2HD PRO 43 2.279 14.279 -2.105 304 H GLY 44 H GLY 44 4.056 13.048 -5.068 305 1HA GLY 44 1HA GLY 44 5.748 12.324 -6.400 306 2HA GLY 44 2HA GLY 44 4.492 12.393 -7.620 307 H VAL 45 H VAL 45 4.917 10.134 -4.811 308 HA VAL 45 HA VAL 45 5.520 7.980 -6.654 309 HB VAL 45 HB VAL 45 6.340 6.857 -4.850 310 1HG1 VAL 45 1HG1 VAL 45 7.184 9.390 -5.081 311 2HG1 VAL 45 2HG1 VAL 45 6.574 9.459 -3.410 312 3HG1 VAL 45 3HG1 VAL 45 7.826 8.274 -3.852 313 1HG2 VAL 45 1HG2 VAL 45 4.320 8.335 -3.140 314 2HG2 VAL 45 2HG2 VAL 45 4.354 6.603 -3.548 315 3HG2 VAL 45 3HG2 VAL 45 5.595 7.288 -2.472 316 HA PRO 46 HA PRO 46 1.588 6.185 -6.523 317 1HB PRO 46 1HB PRO 46 2.027 3.503 -6.238 318 2HB PRO 46 2HB PRO 46 2.231 4.351 -7.758 319 1HG PRO 46 1HG PRO 46 4.302 3.353 -5.900 320 2HG PRO 46 2HG PRO 46 4.465 3.808 -7.585 321 1HD PRO 46 1HD PRO 46 5.279 5.346 -5.305 322 2HD PRO 46 2HD PRO 46 5.336 5.849 -6.983 323 H TRP 47 H TRP 47 0.687 7.254 -4.742 324 HA TRP 47 HA TRP 47 0.982 6.877 -2.179 325 1HB TRP 47 1HB TRP 47 -1.470 7.172 -3.836 326 2HB TRP 47 2HB TRP 47 -1.691 6.765 -2.145 327 HD1 TRP 47 HD1 TRP 47 1.226 9.085 -3.079 328 HE1 TRP 47 HE1 TRP 47 0.833 11.537 -2.185 329 HE3 TRP 47 HE3 TRP 47 -3.577 8.334 -1.588 330 HZ2 TRP 47 HZ2 TRP 47 -1.392 12.857 -0.981 331 HZ3 TRP 47 HZ3 TRP 47 -4.789 10.256 -0.564 332 HH2 TRP 47 HH2 TRP 47 -3.773 12.457 -0.251 333 H CYS 48 H CYS 48 -1.054 4.618 -4.188 334 HA CYS 48 HA CYS 48 -0.938 2.690 -2.039 335 1HB CYS 48 1HB CYS 48 -2.989 3.302 -3.530 336 2HB CYS 48 2HB CYS 48 -2.254 2.220 -4.696 337 H PHE 49 H PHE 49 0.766 1.270 -1.950 338 HA PHE 49 HA PHE 49 1.819 0.288 -4.489 339 1HB PHE 49 1HB PHE 49 4.130 0.520 -3.293 340 2HB PHE 49 2HB PHE 49 3.400 2.016 -3.841 341 HD1 PHE 49 HD1 PHE 49 3.648 -0.152 -0.822 342 HD2 PHE 49 HD2 PHE 49 3.124 3.773 -2.347 343 HE1 PHE 49 HE1 PHE 49 3.790 0.771 1.507 344 HE2 PHE 49 HE2 PHE 49 3.267 4.697 -0.018 345 HZ PHE 49 HZ PHE 49 3.598 3.185 1.882 346 H LYS 50 H LYS 50 3.263 -1.692 -4.126 347 HA LYS 50 HA LYS 50 1.850 -3.521 -2.515 348 1HB LYS 50 1HB LYS 50 4.485 -3.740 -3.998 349 2HB LYS 50 2HB LYS 50 3.680 -5.087 -3.218 350 1HG LYS 50 1HG LYS 50 1.591 -4.084 -4.683 351 2HG LYS 50 2HG LYS 50 2.928 -3.607 -5.710 352 1HD LYS 50 1HD LYS 50 3.507 -6.280 -4.927 353 2HD LYS 50 2HD LYS 50 1.791 -6.268 -5.285 354 1HE LYS 50 1HE LYS 50 2.891 -4.749 -7.377 355 2HE LYS 50 2HE LYS 50 4.088 -6.004 -7.123 356 1HZ LYS 50 1HZ LYS 50 1.214 -6.487 -7.507 357 2HZ LYS 50 2HZ LYS 50 2.362 -6.679 -8.652 358 3HZ LYS 50 3HZ LYS 50 2.358 -7.638 -7.331 359 HA PRO 51 HA PRO 51 4.022 -3.330 1.208 360 1HB PRO 51 1HB PRO 51 4.103 -5.926 2.059 361 2HB PRO 51 2HB PRO 51 2.679 -4.915 2.202 362 1HG PRO 51 1HG PRO 51 3.210 -7.110 0.294 363 2HG PRO 51 2HG PRO 51 1.677 -6.385 0.735 364 1HD PRO 51 1HD PRO 51 3.160 -5.928 -1.677 365 2HD PRO 51 2HD PRO 51 1.687 -5.118 -1.184 366 H LEU 52 H LEU 52 6.042 -2.693 1.570 367 HA LEU 52 HA LEU 52 8.149 -3.229 0.080 368 1HB LEU 52 1HB LEU 52 8.223 -1.692 1.909 369 2HB LEU 52 2HB LEU 52 8.044 -2.980 3.084 370 HG LEU 52 HG LEU 52 10.442 -2.607 1.268 371 1HD1 LEU 52 1HD1 LEU 52 9.853 -0.952 3.286 372 2HD1 LEU 52 2HD1 LEU 52 10.650 -2.247 4.212 373 3HD1 LEU 52 3HD1 LEU 52 11.518 -1.439 2.886 374 1HD2 LEU 52 1HD2 LEU 52 9.600 -4.768 3.091 375 2HD2 LEU 52 2HD2 LEU 52 10.725 -4.790 1.712 376 3HD2 LEU 52 3HD2 LEU 52 11.277 -4.208 3.301 377 H GLN 53 H GLN 53 9.489 -4.888 -0.486 378 HA GLN 53 HA GLN 53 8.692 -7.475 0.208 379 1HB GLN 53 1HB GLN 53 10.800 -8.134 -1.058 380 2HB GLN 53 2HB GLN 53 9.682 -7.121 -1.950 381 1HG GLN 53 1HG GLN 53 11.661 -5.571 -0.376 382 2HG GLN 53 2HG GLN 53 12.398 -6.603 -1.586 383 2HE2 GLN 53 2HE2 GLN 53 11.197 -3.622 -1.019 384 1HE2 GLN 53 1HE2 GLN 53 10.762 -3.111 -2.616 385 H GLU 54 H GLU 54 8.807 -7.020 2.654 386 HA GLU 54 HA GLU 54 11.020 -6.529 4.055 387 1HB GLU 54 1HB GLU 54 9.930 -7.493 5.906 388 2HB GLU 54 2HB GLU 54 8.602 -7.108 4.828 389 1HG GLU 54 1HG GLU 54 8.827 -9.519 3.913 390 2HG GLU 54 2HG GLU 54 9.896 -9.833 5.266 391 H ALA 55 H ALA 55 13.061 -7.356 4.025 392 HA ALA 55 HA ALA 55 13.480 -10.160 4.226 393 1HB ALA 55 1HB ALA 55 13.144 -10.325 1.903 394 2HB ALA 55 2HB ALA 55 14.909 -10.144 2.047 395 3HB ALA 55 3HB ALA 55 13.906 -8.748 1.584 396 H GLU 56 H GLU 56 15.102 -7.159 2.949 397 HA GLU 56 HA GLU 56 16.589 -6.771 5.238 398 1HB GLU 56 1HB GLU 56 17.661 -8.844 3.514 399 2HB GLU 56 2HB GLU 56 18.764 -7.482 3.524 400 1HG GLU 56 1HG GLU 56 19.345 -7.798 5.721 401 2HG GLU 56 2HG GLU 56 17.697 -8.140 6.212 402 H CYS 57 H CYS 57 17.374 -4.676 5.164 403 HA CYS 57 HA CYS 57 16.678 -3.026 3.099 404 1HB CYS 57 1HB CYS 57 18.488 -1.488 4.126 405 2HB CYS 57 2HB CYS 57 17.070 -1.918 5.061 406 H THR 58 H THR 58 20.027 -4.192 3.959 407 HA THR 58 HA THR 58 21.900 -4.247 2.724 408 HB THR 58 HB THR 58 20.145 -6.197 1.986 409 HG1 THR 58 HG1 THR 58 22.306 -6.753 1.907 410 1HG2 THR 58 1HG2 THR 58 19.685 -4.453 -0.088 411 2HG2 THR 58 2HG2 THR 58 21.102 -5.328 -0.717 412 3HG2 THR 58 3HG2 THR 58 19.628 -6.222 -0.274 413 H PHE 59 H PHE 59 22.519 -4.078 0.022 414 HA PHE 59 HA PHE 59 23.224 -2.425 -1.300 415 1HB PHE 59 1HB PHE 59 21.077 -3.180 -2.322 416 2HB PHE 59 2HB PHE 59 20.163 -2.135 -1.254 417 HD1 PHE 59 HD1 PHE 59 23.037 -1.704 -3.613 418 HD2 PHE 59 HD2 PHE 59 19.253 -0.306 -2.297 419 HE1 PHE 59 HE1 PHE 59 23.113 0.121 -5.334 420 HE2 PHE 59 HE2 PHE 59 19.329 1.520 -4.018 421 HZ PHE 59 HZ PHE 59 21.258 1.711 -5.516 No H/Q in entry = 421 Start of MODEL 35 1 H GLU 1 H GLU 1 4.756 -11.574 21.675 2 HA GLU 1 HA GLU 1 6.209 -10.868 23.241 3 1HB GLU 1 1HB GLU 1 7.388 -13.383 22.751 4 2HB GLU 1 2HB GLU 1 8.672 -12.235 22.429 5 1HG GLU 1 1HG GLU 1 7.007 -11.812 24.907 6 2HG GLU 1 2HG GLU 1 8.158 -13.133 24.917 7 H GLU 2 H GLU 2 7.898 -11.798 20.150 8 HA GLU 2 HA GLU 2 9.141 -9.249 20.038 9 1HB GLU 2 1HB GLU 2 9.263 -11.810 18.562 10 2HB GLU 2 2HB GLU 2 9.478 -10.411 17.529 11 1HG GLU 2 1HG GLU 2 11.434 -9.716 18.626 12 2HG GLU 2 2HG GLU 2 10.985 -10.473 20.142 13 H TYR 3 H TYR 3 8.996 -7.952 17.856 14 HA TYR 3 HA TYR 3 6.204 -7.327 17.497 15 1HB TYR 3 1HB TYR 3 8.682 -6.001 17.530 16 2HB TYR 3 2HB TYR 3 8.384 -6.122 15.808 17 HD1 TYR 3 HD1 TYR 3 6.662 -5.057 18.966 18 HD2 TYR 3 HD2 TYR 3 7.134 -4.459 14.756 19 HE1 TYR 3 HE1 TYR 3 5.149 -3.017 19.079 20 HE2 TYR 3 HE2 TYR 3 5.619 -2.422 14.883 21 HH TYR 3 HH TYR 3 4.845 -0.850 16.420 22 H VAL 4 H VAL 4 5.811 -6.547 14.978 23 HA VAL 4 HA VAL 4 6.687 -8.735 13.251 24 HB VAL 4 HB VAL 4 4.416 -9.068 12.454 25 1HG1 VAL 4 1HG1 VAL 4 5.486 -10.042 14.781 26 2HG1 VAL 4 2HG1 VAL 4 3.918 -9.414 15.341 27 3HG1 VAL 4 3HG1 VAL 4 3.978 -10.618 14.031 28 1HG2 VAL 4 1HG2 VAL 4 3.855 -6.596 13.505 29 2HG2 VAL 4 2HG2 VAL 4 2.640 -7.781 12.968 30 3HG2 VAL 4 3HG2 VAL 4 3.085 -7.680 14.689 31 H GLY 5 H GLY 5 4.330 -7.413 11.510 32 1HA GLY 5 1HA GLY 5 5.816 -6.054 9.708 33 2HA GLY 5 2HA GLY 5 5.457 -4.824 10.904 34 H LEU 6 H LEU 6 2.835 -6.132 11.675 35 HA LEU 6 HA LEU 6 1.084 -6.621 9.727 36 1HB LEU 6 1HB LEU 6 0.963 -5.955 12.386 37 2HB LEU 6 2HB LEU 6 0.074 -4.640 11.642 38 HG LEU 6 HG LEU 6 -0.658 -7.351 10.696 39 1HD1 LEU 6 1HD1 LEU 6 -0.189 -7.546 13.216 40 2HD1 LEU 6 2HD1 LEU 6 -1.632 -6.526 13.426 41 3HD1 LEU 6 3HD1 LEU 6 -1.767 -8.102 12.609 42 1HD2 LEU 6 1HD2 LEU 6 -1.825 -4.700 10.933 43 2HD2 LEU 6 2HD2 LEU 6 -2.286 -6.068 9.891 44 3HD2 LEU 6 3HD2 LEU 6 -2.915 -5.963 11.553 45 H SER 7 H SER 7 1.692 -3.227 10.890 46 HA SER 7 HA SER 7 1.295 -2.419 8.122 47 1HB SER 7 1HB SER 7 -0.014 -0.477 8.852 48 2HB SER 7 2HB SER 7 -0.778 -1.952 9.409 49 HG SER 7 HG SER 7 -0.713 -1.038 11.343 50 H ALA 8 H ALA 8 2.305 -0.246 7.633 51 HA ALA 8 HA ALA 8 3.837 1.367 7.902 52 1HB ALA 8 1HB ALA 8 4.481 2.037 9.985 53 2HB ALA 8 2HB ALA 8 4.951 0.394 10.483 54 3HB ALA 8 3HB ALA 8 3.238 0.878 10.513 55 H ASN 9 H ASN 9 5.269 -1.454 9.693 56 HA ASN 9 HA ASN 9 7.706 -1.307 8.536 57 1HB ASN 9 1HB ASN 9 6.634 -2.919 10.403 58 2HB ASN 9 2HB ASN 9 6.491 -4.035 9.059 59 2HD2 ASN 9 2HD2 ASN 9 8.637 -2.262 11.140 60 1HD2 ASN 9 1HD2 ASN 9 10.112 -3.078 10.743 61 H GLN 10 H GLN 10 4.682 -2.901 7.403 62 HA GLN 10 HA GLN 10 5.973 -4.155 5.209 63 1HB GLN 10 1HB GLN 10 3.675 -4.673 6.549 64 2HB GLN 10 2HB GLN 10 3.000 -3.745 5.225 65 1HG GLN 10 1HG GLN 10 3.052 -5.671 4.017 66 2HG GLN 10 2HG GLN 10 4.787 -5.442 3.911 67 2HE2 GLN 10 2HE2 GLN 10 2.172 -7.099 5.488 68 1HE2 GLN 10 1HE2 GLN 10 3.094 -8.318 6.303 69 H CYS 11 H CYS 11 4.323 -1.081 5.859 70 HA CYS 11 HA CYS 11 4.624 -0.421 3.019 71 1HB CYS 11 1HB CYS 11 2.863 1.272 4.681 72 2HB CYS 11 2HB CYS 11 2.693 0.747 3.017 73 H ALA 12 H ALA 12 6.911 -0.346 4.566 74 HA ALA 12 HA ALA 12 7.156 2.486 5.315 75 1HB ALA 12 1HB ALA 12 9.339 1.251 6.407 76 2HB ALA 12 2HB ALA 12 7.800 1.505 7.265 77 3HB ALA 12 3HB ALA 12 8.136 -0.059 6.486 78 H VAL 13 H VAL 13 7.162 2.056 2.625 79 HA VAL 13 HA VAL 13 9.883 1.545 1.782 80 HB VAL 13 HB VAL 13 7.882 2.560 -0.133 81 1HG1 VAL 13 1HG1 VAL 13 10.136 0.668 -0.018 82 2HG1 VAL 13 2HG1 VAL 13 8.765 0.109 -1.007 83 3HG1 VAL 13 3HG1 VAL 13 9.543 1.670 -1.364 84 1HG2 VAL 13 1HG2 VAL 13 7.358 0.163 1.597 85 2HG2 VAL 13 2HG2 VAL 13 6.226 1.381 0.962 86 3HG2 VAL 13 3HG2 VAL 13 6.878 0.124 -0.117 87 HA PRO 14 HA PRO 14 10.998 5.720 1.703 88 1HB PRO 14 1HB PRO 14 13.045 5.686 -0.108 89 2HB PRO 14 2HB PRO 14 13.236 5.194 1.563 90 1HG PRO 14 1HG PRO 14 13.075 3.507 -0.860 91 2HG PRO 14 2HG PRO 14 13.679 3.089 0.731 92 1HD PRO 14 1HD PRO 14 11.147 2.344 -0.393 93 2HD PRO 14 2HD PRO 14 11.705 2.025 1.238 94 H ALA 15 H ALA 15 9.270 4.329 -0.647 95 HA ALA 15 HA ALA 15 7.822 5.375 -2.026 96 1HB ALA 15 1HB ALA 15 9.415 7.901 -2.235 97 2HB ALA 15 2HB ALA 15 7.653 7.665 -2.139 98 3HB ALA 15 3HB ALA 15 8.649 7.543 -0.669 99 H LYS 16 H LYS 16 11.304 5.240 -2.289 100 HA LYS 16 HA LYS 16 11.191 5.469 -5.187 101 1HB LYS 16 1HB LYS 16 13.627 5.438 -5.069 102 2HB LYS 16 2HB LYS 16 12.963 6.668 -4.012 103 1HG LYS 16 1HG LYS 16 14.684 5.532 -2.755 104 2HG LYS 16 2HG LYS 16 13.149 5.020 -2.081 105 1HD LYS 16 1HD LYS 16 13.297 2.862 -3.001 106 2HD LYS 16 2HD LYS 16 14.329 3.376 -4.321 107 1HE LYS 16 1HE LYS 16 16.259 3.575 -2.854 108 2HE LYS 16 2HE LYS 16 15.269 3.396 -1.419 109 1HZ LYS 16 1HZ LYS 16 14.732 1.162 -2.156 110 2HZ LYS 16 2HZ LYS 16 15.689 1.332 -3.468 111 3HZ LYS 16 3HZ LYS 16 16.344 1.347 -1.972 112 H ASP 17 H ASP 17 10.146 3.195 -3.211 113 HA ASP 17 HA ASP 17 11.247 1.094 -4.891 114 1HB ASP 17 1HB ASP 17 11.561 1.390 -2.038 115 2HB ASP 17 2HB ASP 17 10.498 0.023 -2.311 116 H ARG 18 H ARG 18 8.675 2.877 -4.563 117 HA ARG 18 HA ARG 18 6.695 1.067 -3.696 118 1HB ARG 18 1HB ARG 18 6.279 3.551 -5.424 119 2HB ARG 18 2HB ARG 18 5.114 2.809 -4.345 120 1HG ARG 18 1HG ARG 18 7.747 4.075 -3.447 121 2HG ARG 18 2HG ARG 18 6.186 4.869 -3.373 122 1HD ARG 18 1HD ARG 18 5.431 2.754 -1.988 123 2HD ARG 18 2HD ARG 18 7.147 2.462 -1.787 124 HE ARG 18 HE ARG 18 7.172 4.175 -0.212 125 1HH1 ARG 18 1HH1 ARG 18 4.528 4.775 -2.455 126 2HH1 ARG 18 2HH1 ARG 18 3.975 6.191 -1.624 127 1HH2 ARG 18 1HH2 ARG 18 6.444 6.043 0.884 128 2HH2 ARG 18 2HH2 ARG 18 5.072 6.917 0.288 129 H VAL 19 H VAL 19 5.933 -0.655 -4.883 130 HA VAL 19 HA VAL 19 6.551 -0.792 -7.690 131 HB VAL 19 HB VAL 19 5.113 -2.670 -5.805 132 1HG1 VAL 19 1HG1 VAL 19 5.966 -2.979 -8.693 133 2HG1 VAL 19 2HG1 VAL 19 5.674 -4.373 -7.624 134 3HG1 VAL 19 3HG1 VAL 19 4.356 -3.231 -7.978 135 1HG2 VAL 19 1HG2 VAL 19 7.776 -1.999 -5.804 136 2HG2 VAL 19 2HG2 VAL 19 7.105 -3.540 -5.219 137 3HG2 VAL 19 3HG2 VAL 19 7.754 -3.423 -6.872 138 H ASP 20 H ASP 20 4.104 0.612 -5.794 139 HA ASP 20 HA ASP 20 2.150 1.440 -6.233 140 1HB ASP 20 1HB ASP 20 3.014 2.569 -8.146 141 2HB ASP 20 2HB ASP 20 3.198 1.082 -9.055 142 H CYS 21 H CYS 21 0.332 0.219 -5.705 143 HA CYS 21 HA CYS 21 0.044 -2.407 -6.792 144 1HB CYS 21 1HB CYS 21 -0.590 -1.338 -4.410 145 2HB CYS 21 2HB CYS 21 -2.141 -1.165 -5.206 146 H GLY 22 H GLY 22 -0.899 0.840 -7.597 147 1HA GLY 22 1HA GLY 22 -2.210 0.058 -9.971 148 2HA GLY 22 2HA GLY 22 -2.130 1.670 -9.287 149 H TYR 23 H TYR 23 -3.779 2.406 -7.800 150 HA TYR 23 HA TYR 23 -6.253 0.872 -8.091 151 1HB TYR 23 1HB TYR 23 -4.693 1.742 -5.636 152 2HB TYR 23 2HB TYR 23 -6.434 1.919 -5.542 153 HD1 TYR 23 HD1 TYR 23 -7.733 -0.309 -6.478 154 HD2 TYR 23 HD2 TYR 23 -3.821 -0.208 -4.749 155 HE1 TYR 23 HE1 TYR 23 -7.942 -2.762 -5.845 156 HE2 TYR 23 HE2 TYR 23 -4.043 -2.662 -4.122 157 HH TYR 23 HH TYR 23 -7.024 -4.451 -4.868 158 HA PRO 24 HA PRO 24 -7.831 4.825 -8.883 159 1HB PRO 24 1HB PRO 24 -10.509 4.361 -8.602 160 2HB PRO 24 2HB PRO 24 -9.613 3.953 -10.052 161 1HG PRO 24 1HG PRO 24 -10.616 2.159 -7.927 162 2HG PRO 24 2HG PRO 24 -10.108 1.756 -9.555 163 1HD PRO 24 1HD PRO 24 -8.618 1.339 -7.140 164 2HD PRO 24 2HD PRO 24 -8.066 1.044 -8.777 165 H HIS 25 H HIS 25 -9.977 3.593 -6.364 166 HA HIS 25 HA HIS 25 -9.615 6.135 -5.020 167 1HB HIS 25 1HB HIS 25 -11.546 5.538 -3.729 168 2HB HIS 25 2HB HIS 25 -11.886 5.256 -5.425 169 HD1 HIS 25 HD1 HIS 25 -13.650 3.803 -3.467 170 HD2 HIS 25 HD2 HIS 25 -10.027 2.198 -4.843 171 HE1 HIS 25 HE1 HIS 25 -13.815 1.278 -3.138 172 HE2 HIS 25 HE2 HIS 25 -11.583 0.342 -4.052 173 H VAL 26 H VAL 26 -7.446 5.901 -4.250 174 HA VAL 26 HA VAL 26 -7.020 3.684 -2.394 175 HB VAL 26 HB VAL 26 -4.655 4.442 -2.501 176 1HG1 VAL 26 1HG1 VAL 26 -5.462 2.628 -3.933 177 2HG1 VAL 26 2HG1 VAL 26 -5.956 3.807 -5.172 178 3HG1 VAL 26 3HG1 VAL 26 -4.233 3.600 -4.777 179 1HG2 VAL 26 1HG2 VAL 26 -5.442 6.835 -3.243 180 2HG2 VAL 26 2HG2 VAL 26 -3.903 6.171 -3.843 181 3HG2 VAL 26 3HG2 VAL 26 -5.349 6.143 -4.880 182 H THR 27 H THR 27 -6.940 3.980 -0.205 183 HA THR 27 HA THR 27 -6.581 6.683 0.817 184 HB THR 27 HB THR 27 -8.704 6.821 1.828 185 HG1 THR 27 HG1 THR 27 -9.691 4.900 2.550 186 1HG2 THR 27 1HG2 THR 27 -9.171 5.003 -0.595 187 2HG2 THR 27 2HG2 THR 27 -10.461 5.863 0.280 188 3HG2 THR 27 3HG2 THR 27 -9.212 6.783 -0.593 189 HA PRO 28 HA PRO 28 -4.660 4.658 4.082 190 1HB PRO 28 1HB PRO 28 -5.399 6.014 6.337 191 2HB PRO 28 2HB PRO 28 -4.195 6.610 5.212 192 1HG PRO 28 1HG PRO 28 -6.988 7.504 5.584 193 2HG PRO 28 2HG PRO 28 -5.665 8.338 4.794 194 1HD PRO 28 1HD PRO 28 -7.842 6.975 3.516 195 2HD PRO 28 2HD PRO 28 -6.458 7.709 2.730 196 H LYS 29 H LYS 29 -6.960 3.304 3.208 197 HA LYS 29 HA LYS 29 -7.191 1.458 5.260 198 1HB LYS 29 1HB LYS 29 -8.503 3.551 6.177 199 2HB LYS 29 2HB LYS 29 -9.770 2.988 5.105 200 1HG LYS 29 1HG LYS 29 -8.387 1.124 7.080 201 2HG LYS 29 2HG LYS 29 -9.785 2.078 7.532 202 1HD LYS 29 1HD LYS 29 -10.275 0.724 4.988 203 2HD LYS 29 2HD LYS 29 -9.774 -0.437 6.201 204 1HE LYS 29 1HE LYS 29 -11.803 1.613 7.052 205 2HE LYS 29 2HE LYS 29 -12.350 0.381 5.931 206 1HZ LYS 29 1HZ LYS 29 -11.497 -1.281 7.465 207 2HZ LYS 29 2HZ LYS 29 -11.050 -0.116 8.519 208 3HZ LYS 29 3HZ LYS 29 -12.630 -0.343 8.174 209 H GLU 30 H GLU 30 -9.011 3.124 2.610 210 HA GLU 30 HA GLU 30 -10.237 0.761 1.753 211 1HB GLU 30 1HB GLU 30 -11.224 2.899 1.197 212 2HB GLU 30 2HB GLU 30 -9.757 3.450 0.411 213 1HG GLU 30 1HG GLU 30 -10.332 2.460 -1.553 214 2HG GLU 30 2HG GLU 30 -10.644 0.925 -0.768 215 H CYS 31 H CYS 31 -7.217 2.491 0.844 216 HA CYS 31 HA CYS 31 -6.659 0.889 -1.390 217 1HB CYS 31 1HB CYS 31 -5.486 2.837 -1.460 218 2HB CYS 31 2HB CYS 31 -5.189 2.868 0.267 219 H ASN 32 H ASN 32 -5.898 0.736 2.128 220 HA ASN 32 HA ASN 32 -4.228 -1.537 1.779 221 1HB ASN 32 1HB ASN 32 -3.650 -0.197 3.664 222 2HB ASN 32 2HB ASN 32 -5.321 0.028 4.142 223 2HD2 ASN 32 2HD2 ASN 32 -5.977 -1.064 5.819 224 1HD2 ASN 32 1HD2 ASN 32 -5.345 -2.562 6.416 225 H ASN 33 H ASN 33 -7.570 -0.973 1.698 226 HA ASN 33 HA ASN 33 -8.269 -3.404 3.081 227 1HB ASN 33 1HB ASN 33 -9.747 -1.491 3.460 228 2HB ASN 33 2HB ASN 33 -9.906 -1.196 1.740 229 2HD2 ASN 33 2HD2 ASN 33 -12.204 -1.275 2.446 230 1HD2 ASN 33 1HD2 ASN 33 -13.031 -2.796 2.395 231 H ARG 34 H ARG 34 -8.162 -1.875 -0.178 232 HA ARG 34 HA ARG 34 -9.581 -3.784 -1.547 233 1HB ARG 34 1HB ARG 34 -8.362 -1.427 -2.207 234 2HB ARG 34 2HB ARG 34 -7.208 -2.541 -2.913 235 1HG ARG 34 1HG ARG 34 -9.054 -1.824 -4.496 236 2HG ARG 34 2HG ARG 34 -8.903 -3.560 -4.315 237 1HD ARG 34 1HD ARG 34 -10.742 -2.303 -2.341 238 2HD ARG 34 2HD ARG 34 -11.264 -2.132 -4.006 239 HE ARG 34 HE ARG 34 -10.399 -4.849 -3.454 240 1HH1 ARG 34 1HH1 ARG 34 -13.090 -2.619 -3.044 241 2HH1 ARG 34 2HH1 ARG 34 -14.282 -3.872 -2.952 242 1HH2 ARG 34 1HH2 ARG 34 -11.971 -6.504 -3.334 243 2HH2 ARG 34 2HH2 ARG 34 -13.641 -6.097 -3.118 244 H GLY 35 H GLY 35 -6.315 -3.802 -0.211 245 1HA GLY 35 1HA GLY 35 -5.797 -6.391 -1.549 246 2HA GLY 35 2HA GLY 35 -5.442 -6.073 0.137 247 H CYS 36 H CYS 36 -3.943 -4.109 0.577 248 HA CYS 36 HA CYS 36 -1.519 -4.537 -0.564 249 1HB CYS 36 1HB CYS 36 -3.115 -3.181 -2.435 250 2HB CYS 36 2HB CYS 36 -2.054 -1.958 -1.765 251 H CYS 37 H CYS 37 -0.579 -1.726 -0.574 252 HA CYS 37 HA CYS 37 -1.252 -1.023 2.191 253 1HB CYS 37 1HB CYS 37 1.375 -1.329 0.838 254 2HB CYS 37 2HB CYS 37 1.207 0.033 1.928 255 H PHE 38 H PHE 38 -1.208 1.330 2.637 256 HA PHE 38 HA PHE 38 -1.550 2.891 0.173 257 1HB PHE 38 1HB PHE 38 -3.654 2.584 1.445 258 2HB PHE 38 2HB PHE 38 -2.849 2.957 2.956 259 HD1 PHE 38 HD1 PHE 38 -4.130 4.390 -0.182 260 HD2 PHE 38 HD2 PHE 38 -2.501 5.223 3.647 261 HE1 PHE 38 HE1 PHE 38 -4.784 6.800 -0.428 262 HE2 PHE 38 HE2 PHE 38 -3.155 7.634 3.400 263 HZ PHE 38 HZ PHE 38 -4.289 8.394 1.366 264 H ASP 39 H ASP 39 -1.331 5.390 0.738 265 HA ASP 39 HA ASP 39 0.281 6.130 2.852 266 1HB ASP 39 1HB ASP 39 2.093 4.898 1.801 267 2HB ASP 39 2HB ASP 39 1.716 5.565 0.225 268 H SER 40 H SER 40 0.416 8.462 2.864 269 HA SER 40 HA SER 40 -0.437 9.745 0.395 270 1HB SER 40 1HB SER 40 -1.890 11.270 1.683 271 2HB SER 40 2HB SER 40 -2.393 9.605 1.896 272 HG SER 40 HG SER 40 -1.004 9.660 3.915 273 H ARG 41 H ARG 41 2.156 9.266 2.091 274 HA ARG 41 HA ARG 41 2.888 11.626 3.270 275 1HB ARG 41 1HB ARG 41 4.058 9.186 2.966 276 2HB ARG 41 2HB ARG 41 4.985 10.069 1.770 277 1HG ARG 41 1HG ARG 41 6.142 11.237 3.356 278 2HG ARG 41 2HG ARG 41 4.696 11.588 4.281 279 1HD ARG 41 1HD ARG 41 5.017 9.811 5.699 280 2HD ARG 41 2HD ARG 41 5.479 8.730 4.399 281 HE ARG 41 HE ARG 41 7.629 10.504 4.629 282 1HH1 ARG 41 1HH1 ARG 41 5.971 8.271 6.785 283 2HH1 ARG 41 2HH1 ARG 41 7.376 7.958 7.750 284 1HH2 ARG 41 1HH2 ARG 41 9.483 10.091 5.901 285 2HH2 ARG 41 2HH2 ARG 41 9.387 9.001 7.243 286 H ILE 42 H ILE 42 3.460 10.429 -0.115 287 HA ILE 42 HA ILE 42 3.559 13.199 -0.989 288 HB ILE 42 HB ILE 42 5.585 12.115 -2.469 289 1HG1 ILE 42 1HG1 ILE 42 7.182 11.138 -0.847 290 2HG1 ILE 42 2HG1 ILE 42 5.925 11.113 0.373 291 1HG2 ILE 42 1HG2 ILE 42 5.327 14.377 -1.332 292 2HG2 ILE 42 2HG2 ILE 42 6.052 13.620 0.107 293 3HG2 ILE 42 3HG2 ILE 42 6.972 13.700 -1.414 294 1HD1 ILE 42 1HD1 ILE 42 5.069 9.877 -2.173 295 2HD1 ILE 42 2HD1 ILE 42 6.459 9.060 -1.420 296 3HD1 ILE 42 3HD1 ILE 42 4.942 9.256 -0.509 297 HA PRO 43 HA PRO 43 1.160 11.354 -4.084 298 1HB PRO 43 1HB PRO 43 0.882 13.500 -5.753 299 2HB PRO 43 2HB PRO 43 -0.107 13.261 -4.326 300 1HG PRO 43 1HG PRO 43 2.130 15.150 -4.736 301 2HG PRO 43 2HG PRO 43 0.877 15.181 -3.510 302 1HD PRO 43 1HD PRO 43 3.601 14.353 -3.159 303 2HD PRO 43 2HD PRO 43 2.320 14.275 -1.966 304 H GLY 44 H GLY 44 4.051 13.100 -4.981 305 1HA GLY 44 1HA GLY 44 5.727 12.394 -6.342 306 2HA GLY 44 2HA GLY 44 4.455 12.479 -7.546 307 H VAL 45 H VAL 45 4.765 10.174 -4.773 308 HA VAL 45 HA VAL 45 5.367 8.044 -6.667 309 HB VAL 45 HB VAL 45 6.273 6.904 -4.920 310 1HG1 VAL 45 1HG1 VAL 45 7.029 9.503 -5.098 311 2HG1 VAL 45 2HG1 VAL 45 6.575 9.421 -3.379 312 3HG1 VAL 45 3HG1 VAL 45 7.808 8.312 -4.028 313 1HG2 VAL 45 1HG2 VAL 45 4.300 8.323 -3.108 314 2HG2 VAL 45 2HG2 VAL 45 4.345 6.599 -3.549 315 3HG2 VAL 45 3HG2 VAL 45 5.613 7.284 -2.506 316 HA PRO 46 HA PRO 46 1.433 6.270 -6.382 317 1HB PRO 46 1HB PRO 46 1.864 3.583 -6.136 318 2HB PRO 46 2HB PRO 46 2.010 4.441 -7.657 319 1HG PRO 46 1HG PRO 46 4.151 3.415 -5.897 320 2HG PRO 46 2HG PRO 46 4.246 3.882 -7.583 321 1HD PRO 46 1HD PRO 46 5.166 5.397 -5.327 322 2HD PRO 46 2HD PRO 46 5.155 5.913 -7.002 323 H TRP 47 H TRP 47 0.573 7.306 -4.575 324 HA TRP 47 HA TRP 47 0.984 6.918 -2.022 325 1HB TRP 47 1HB TRP 47 -1.545 7.208 -3.568 326 2HB TRP 47 2HB TRP 47 -1.674 6.828 -1.861 327 HD1 TRP 47 HD1 TRP 47 1.198 9.122 -2.972 328 HE1 TRP 47 HE1 TRP 47 0.853 11.591 -2.104 329 HE3 TRP 47 HE3 TRP 47 -3.536 8.417 -1.254 330 HZ2 TRP 47 HZ2 TRP 47 -1.312 12.941 -0.826 331 HZ3 TRP 47 HZ3 TRP 47 -4.694 10.362 -0.210 332 HH2 TRP 47 HH2 TRP 47 -3.659 12.564 0.017 333 H CYS 48 H CYS 48 -1.101 4.668 -3.986 334 HA CYS 48 HA CYS 48 -0.922 2.727 -1.849 335 1HB CYS 48 1HB CYS 48 -3.038 3.326 -3.203 336 2HB CYS 48 2HB CYS 48 -2.343 2.341 -4.475 337 H PHE 49 H PHE 49 0.779 1.301 -1.831 338 HA PHE 49 HA PHE 49 1.747 0.342 -4.413 339 1HB PHE 49 1HB PHE 49 4.097 0.564 -3.297 340 2HB PHE 49 2HB PHE 49 3.348 2.066 -3.802 341 HD1 PHE 49 HD1 PHE 49 3.731 -0.134 -0.822 342 HD2 PHE 49 HD2 PHE 49 3.098 3.802 -2.275 343 HE1 PHE 49 HE1 PHE 49 3.956 0.763 1.511 344 HE2 PHE 49 HE2 PHE 49 3.323 4.700 0.059 345 HZ PHE 49 HZ PHE 49 3.749 3.169 1.924 346 H LYS 50 H LYS 50 3.268 -1.617 -4.071 347 HA LYS 50 HA LYS 50 1.886 -3.478 -2.462 348 1HB LYS 50 1HB LYS 50 4.416 -3.584 -4.110 349 2HB LYS 50 2HB LYS 50 3.869 -4.958 -3.170 350 1HG LYS 50 1HG LYS 50 1.532 -4.168 -4.474 351 2HG LYS 50 2HG LYS 50 2.760 -3.831 -5.678 352 1HD LYS 50 1HD LYS 50 3.470 -6.360 -4.596 353 2HD LYS 50 2HD LYS 50 1.727 -6.416 -4.769 354 1HE LYS 50 1HE LYS 50 2.673 -5.177 -7.150 355 2HE LYS 50 2HE LYS 50 3.785 -6.496 -6.846 356 1HZ LYS 50 1HZ LYS 50 1.775 -7.902 -6.534 357 2HZ LYS 50 2HZ LYS 50 0.870 -6.667 -7.100 358 3HZ LYS 50 3HZ LYS 50 1.998 -7.358 -8.058 359 HA PRO 51 HA PRO 51 4.114 -3.289 1.228 360 1HB PRO 51 1HB PRO 51 4.226 -5.889 2.063 361 2HB PRO 51 2HB PRO 51 2.798 -4.888 2.234 362 1HG PRO 51 1HG PRO 51 3.313 -7.068 0.306 363 2HG PRO 51 2HG PRO 51 1.782 -6.357 0.774 364 1HD PRO 51 1HD PRO 51 3.224 -5.876 -1.658 365 2HD PRO 51 2HD PRO 51 1.753 -5.079 -1.136 366 H LEU 52 H LEU 52 6.136 -2.660 1.597 367 HA LEU 52 HA LEU 52 8.223 -3.183 0.052 368 1HB LEU 52 1HB LEU 52 8.357 -1.621 1.831 369 2HB LEU 52 2HB LEU 52 8.125 -2.862 3.046 370 HG LEU 52 HG LEU 52 10.555 -2.653 1.246 371 1HD1 LEU 52 1HD1 LEU 52 10.110 -0.784 2.997 372 2HD1 LEU 52 2HD1 LEU 52 10.566 -2.028 4.186 373 3HD1 LEU 52 3HD1 LEU 52 11.716 -1.547 2.916 374 1HD2 LEU 52 1HD2 LEU 52 9.607 -4.685 3.138 375 2HD2 LEU 52 2HD2 LEU 52 10.832 -4.787 1.851 376 3HD2 LEU 52 3HD2 LEU 52 11.271 -4.133 3.447 377 H GLN 53 H GLN 53 9.699 -4.795 -0.400 378 HA GLN 53 HA GLN 53 8.904 -7.392 0.065 379 1HB GLN 53 1HB GLN 53 11.269 -7.946 -0.763 380 2HB GLN 53 2HB GLN 53 10.283 -6.967 -1.830 381 1HG GLN 53 1HG GLN 53 11.785 -5.306 0.082 382 2HG GLN 53 2HG GLN 53 12.853 -6.325 -0.862 383 2HE2 GLN 53 2HE2 GLN 53 11.489 -3.394 -0.740 384 1HE2 GLN 53 1HE2 GLN 53 11.401 -2.965 -2.416 385 H GLU 54 H GLU 54 8.529 -7.618 2.365 386 HA GLU 54 HA GLU 54 10.568 -7.092 4.207 387 1HB GLU 54 1HB GLU 54 9.085 -8.490 5.754 388 2HB GLU 54 2HB GLU 54 8.320 -7.096 5.015 389 1HG GLU 54 1HG GLU 54 6.827 -8.388 3.880 390 2HG GLU 54 2HG GLU 54 8.081 -9.461 3.292 391 H ALA 55 H ALA 55 12.429 -8.165 3.157 392 HA ALA 55 HA ALA 55 12.341 -11.087 3.456 393 1HB ALA 55 1HB ALA 55 14.158 -11.119 1.809 394 2HB ALA 55 2HB ALA 55 12.763 -10.223 1.163 395 3HB ALA 55 3HB ALA 55 14.183 -9.340 1.773 396 H GLU 56 H GLU 56 13.291 -11.822 5.283 397 HA GLU 56 HA GLU 56 14.635 -10.253 7.041 398 1HB GLU 56 1HB GLU 56 13.687 -12.729 7.178 399 2HB GLU 56 2HB GLU 56 15.335 -13.184 6.795 400 1HG GLU 56 1HG GLU 56 15.219 -13.134 9.192 401 2HG GLU 56 2HG GLU 56 16.100 -11.690 8.732 402 H CYS 57 H CYS 57 16.117 -12.656 4.737 403 HA CYS 57 HA CYS 57 18.639 -11.228 5.085 404 1HB CYS 57 1HB CYS 57 18.284 -13.888 3.715 405 2HB CYS 57 2HB CYS 57 19.755 -13.172 4.342 406 H THR 58 H THR 58 19.680 -10.291 3.265 407 HA THR 58 HA THR 58 18.137 -9.274 1.242 408 HB THR 58 HB THR 58 20.360 -8.411 1.882 409 HG1 THR 58 HG1 THR 58 19.628 -8.121 -0.343 410 1HG2 THR 58 1HG2 THR 58 21.433 -10.723 2.245 411 2HG2 THR 58 2HG2 THR 58 21.508 -10.872 0.472 412 3HG2 THR 58 3HG2 THR 58 22.414 -9.580 1.296 413 H PHE 59 H PHE 59 20.187 -12.256 1.137 414 HA PHE 59 HA PHE 59 19.010 -12.854 -1.454 415 1HB PHE 59 1HB PHE 59 21.434 -13.480 0.155 416 2HB PHE 59 2HB PHE 59 20.753 -14.923 -0.570 417 HD1 PHE 59 HD1 PHE 59 20.434 -14.979 -3.081 418 HD2 PHE 59 HD2 PHE 59 22.681 -11.950 -1.135 419 HE1 PHE 59 HE1 PHE 59 21.556 -14.415 -5.254 420 HE2 PHE 59 HE2 PHE 59 23.803 -11.386 -3.308 421 HZ PHE 59 HZ PHE 59 23.228 -12.626 -5.341 No H/Q in entry = 421 Start of MODEL 36 1 H GLU 1 H GLU 1 11.021 -16.285 11.817 2 HA GLU 1 HA GLU 1 12.277 -16.211 13.596 3 1HB GLU 1 1HB GLU 1 14.043 -15.120 11.606 4 2HB GLU 1 2HB GLU 1 14.260 -14.183 13.070 5 1HG GLU 1 1HG GLU 1 14.349 -17.235 12.931 6 2HG GLU 1 2HG GLU 1 15.761 -16.197 12.965 7 H GLU 2 H GLU 2 11.630 -13.026 12.053 8 HA GLU 2 HA GLU 2 11.182 -11.966 14.730 9 1HB GLU 2 1HB GLU 2 12.608 -10.922 12.493 10 2HB GLU 2 2HB GLU 2 11.170 -9.933 12.651 11 1HG GLU 2 1HG GLU 2 12.665 -10.592 15.180 12 2HG GLU 2 2HG GLU 2 13.420 -9.457 14.079 13 H TYR 3 H TYR 3 9.545 -9.770 14.120 14 HA TYR 3 HA TYR 3 7.353 -10.632 12.483 15 1HB TYR 3 1HB TYR 3 7.362 -11.769 14.918 16 2HB TYR 3 2HB TYR 3 6.909 -10.171 15.479 17 HD1 TYR 3 HD1 TYR 3 5.821 -11.981 12.386 18 HD2 TYR 3 HD2 TYR 3 4.690 -10.386 16.192 19 HE1 TYR 3 HE1 TYR 3 3.381 -12.491 11.883 20 HE2 TYR 3 HE2 TYR 3 2.255 -10.901 15.676 21 HH TYR 3 HH TYR 3 0.841 -11.264 13.853 22 H VAL 4 H VAL 4 5.335 -9.009 13.326 23 HA VAL 4 HA VAL 4 4.637 -6.912 13.573 24 HB VAL 4 HB VAL 4 7.456 -5.994 14.099 25 1HG1 VAL 4 1HG1 VAL 4 5.762 -4.250 13.830 26 2HG1 VAL 4 2HG1 VAL 4 4.748 -5.023 15.073 27 3HG1 VAL 4 3HG1 VAL 4 6.324 -4.326 15.517 28 1HG2 VAL 4 1HG2 VAL 4 5.697 -7.706 15.795 29 2HG2 VAL 4 2HG2 VAL 4 7.473 -7.622 15.699 30 3HG2 VAL 4 3HG2 VAL 4 6.570 -6.378 16.597 31 H GLY 5 H GLY 5 4.402 -7.498 11.180 32 1HA GLY 5 1HA GLY 5 5.703 -7.152 9.033 33 2HA GLY 5 2HA GLY 5 5.906 -5.507 9.601 34 H LEU 6 H LEU 6 3.064 -5.903 10.961 35 HA LEU 6 HA LEU 6 1.473 -5.699 8.515 36 1HB LEU 6 1HB LEU 6 -0.443 -6.077 9.949 37 2HB LEU 6 2HB LEU 6 0.736 -7.366 10.086 38 HG LEU 6 HG LEU 6 1.106 -5.273 12.107 39 1HD1 LEU 6 1HD1 LEU 6 -1.599 -6.247 11.593 40 2HD1 LEU 6 2HD1 LEU 6 -1.043 -6.587 13.249 41 3HD1 LEU 6 3HD1 LEU 6 -1.031 -4.918 12.632 42 1HD2 LEU 6 1HD2 LEU 6 2.092 -7.658 11.926 43 2HD2 LEU 6 2HD2 LEU 6 1.566 -7.060 13.518 44 3HD2 LEU 6 3HD2 LEU 6 0.532 -8.185 12.604 45 H SER 7 H SER 7 0.892 -3.735 7.768 46 HA SER 7 HA SER 7 0.515 -1.602 7.667 47 1HB SER 7 1HB SER 7 -0.866 -0.621 9.265 48 2HB SER 7 2HB SER 7 -1.084 -2.318 9.644 49 HG SER 7 HG SER 7 -0.051 -0.317 11.214 50 H ALA 8 H ALA 8 1.956 0.098 7.464 51 HA ALA 8 HA ALA 8 3.544 1.571 8.060 52 1HB ALA 8 1HB ALA 8 4.214 1.832 10.245 53 2HB ALA 8 2HB ALA 8 4.407 0.083 10.510 54 3HB ALA 8 3HB ALA 8 2.783 0.811 10.524 55 H ASN 9 H ASN 9 4.802 -1.512 9.506 56 HA ASN 9 HA ASN 9 7.262 -1.340 8.405 57 1HB ASN 9 1HB ASN 9 5.530 -3.545 9.452 58 2HB ASN 9 2HB ASN 9 6.844 -4.081 8.424 59 2HD2 ASN 9 2HD2 ASN 9 5.910 -2.980 11.485 60 1HD2 ASN 9 1HD2 ASN 9 7.464 -2.837 12.235 61 H GLN 10 H GLN 10 4.520 -3.449 7.222 62 HA GLN 10 HA GLN 10 5.724 -4.194 4.880 63 1HB GLN 10 1HB GLN 10 3.249 -4.531 4.116 64 2HB GLN 10 2HB GLN 10 3.833 -5.446 5.491 65 1HG GLN 10 1HG GLN 10 2.616 -4.178 7.041 66 2HG GLN 10 2HG GLN 10 2.615 -2.743 6.035 67 2HE2 GLN 10 2HE2 GLN 10 1.809 -6.063 5.114 68 1HE2 GLN 10 1HE2 GLN 10 0.147 -5.792 4.706 69 H CYS 11 H CYS 11 4.150 -1.170 5.787 70 HA CYS 11 HA CYS 11 4.379 -0.296 2.998 71 1HB CYS 11 1HB CYS 11 2.713 1.248 4.915 72 2HB CYS 11 2HB CYS 11 2.521 1.008 3.190 73 H ALA 12 H ALA 12 6.725 -0.404 4.431 74 HA ALA 12 HA ALA 12 7.097 2.369 5.337 75 1HB ALA 12 1HB ALA 12 9.162 0.505 6.196 76 2HB ALA 12 2HB ALA 12 7.550 -0.049 6.709 77 3HB ALA 12 3HB ALA 12 8.123 1.571 7.173 78 H VAL 13 H VAL 13 7.093 2.057 2.643 79 HA VAL 13 HA VAL 13 9.821 1.478 1.819 80 HB VAL 13 HB VAL 13 7.840 2.467 -0.129 81 1HG1 VAL 13 1HG1 VAL 13 10.099 0.586 0.032 82 2HG1 VAL 13 2HG1 VAL 13 8.742 0.007 -0.964 83 3HG1 VAL 13 3HG1 VAL 13 9.515 1.568 -1.333 84 1HG2 VAL 13 1HG2 VAL 13 7.314 0.058 1.594 85 2HG2 VAL 13 2HG2 VAL 13 6.184 1.294 0.993 86 3HG2 VAL 13 3HG2 VAL 13 6.817 0.054 -0.115 87 HA PRO 14 HA PRO 14 10.917 5.657 1.713 88 1HB PRO 14 1HB PRO 14 12.971 5.622 -0.088 89 2HB PRO 14 2HB PRO 14 13.157 5.141 1.587 90 1HG PRO 14 1HG PRO 14 13.016 3.439 -0.826 91 2HG PRO 14 2HG PRO 14 13.615 3.033 0.770 92 1HD PRO 14 1HD PRO 14 11.092 2.269 -0.362 93 2HD PRO 14 2HD PRO 14 11.643 1.963 1.274 94 H ALA 15 H ALA 15 9.201 4.246 -0.631 95 HA ALA 15 HA ALA 15 7.756 5.275 -2.025 96 1HB ALA 15 1HB ALA 15 9.363 7.805 -2.200 97 2HB ALA 15 2HB ALA 15 7.598 7.574 -2.196 98 3HB ALA 15 3HB ALA 15 8.515 7.449 -0.676 99 H LYS 16 H LYS 16 11.268 5.302 -2.288 100 HA LYS 16 HA LYS 16 11.149 5.455 -5.182 101 1HB LYS 16 1HB LYS 16 13.574 5.502 -5.068 102 2HB LYS 16 2HB LYS 16 12.890 6.698 -3.985 103 1HG LYS 16 1HG LYS 16 14.584 5.644 -2.688 104 2HG LYS 16 2HG LYS 16 13.095 4.919 -2.115 105 1HD LYS 16 1HD LYS 16 13.597 2.846 -2.994 106 2HD LYS 16 2HD LYS 16 14.340 3.516 -4.433 107 1HE LYS 16 1HE LYS 16 16.432 3.858 -3.360 108 2HE LYS 16 2HE LYS 16 15.727 3.835 -1.756 109 1HZ LYS 16 1HZ LYS 16 15.416 1.434 -3.322 110 2HZ LYS 16 2HZ LYS 16 16.928 1.765 -2.801 111 3HZ LYS 16 3HZ LYS 16 15.709 1.605 -1.725 112 H ASP 17 H ASP 17 10.205 3.168 -3.130 113 HA ASP 17 HA ASP 17 11.315 1.081 -4.825 114 1HB ASP 17 1HB ASP 17 11.721 1.416 -2.000 115 2HB ASP 17 2HB ASP 17 10.641 0.049 -2.195 116 H ARG 18 H ARG 18 8.723 2.760 -4.611 117 HA ARG 18 HA ARG 18 6.783 0.987 -3.589 118 1HB ARG 18 1HB ARG 18 6.286 3.287 -5.533 119 2HB ARG 18 2HB ARG 18 5.169 2.636 -4.350 120 1HG ARG 18 1HG ARG 18 7.820 3.793 -3.436 121 2HG ARG 18 2HG ARG 18 6.492 4.869 -3.822 122 1HD ARG 18 1HD ARG 18 5.248 2.940 -2.229 123 2HD ARG 18 2HD ARG 18 6.834 3.064 -1.494 124 HE ARG 18 HE ARG 18 5.521 5.643 -2.088 125 1HH1 ARG 18 1HH1 ARG 18 6.153 3.142 0.306 126 2HH1 ARG 18 2HH1 ARG 18 5.805 4.168 1.657 127 1HH2 ARG 18 1HH2 ARG 18 5.061 6.997 -0.306 128 2HH2 ARG 18 2HH2 ARG 18 5.179 6.375 1.307 129 H VAL 19 H VAL 19 5.551 -0.566 -4.690 130 HA VAL 19 HA VAL 19 6.402 -1.130 -7.408 131 HB VAL 19 HB VAL 19 4.452 -2.772 -5.839 132 1HG1 VAL 19 1HG1 VAL 19 6.629 -3.333 -7.869 133 2HG1 VAL 19 2HG1 VAL 19 5.812 -4.615 -6.943 134 3HG1 VAL 19 3HG1 VAL 19 4.873 -3.571 -8.037 135 1HG2 VAL 19 1HG2 VAL 19 7.428 -2.569 -5.301 136 2HG2 VAL 19 2HG2 VAL 19 6.087 -2.342 -4.153 137 3HG2 VAL 19 3HG2 VAL 19 6.433 -3.960 -4.810 138 H ASP 20 H ASP 20 4.047 0.725 -5.833 139 HA ASP 20 HA ASP 20 2.171 1.633 -6.431 140 1HB ASP 20 1HB ASP 20 3.259 2.567 -8.333 141 2HB ASP 20 2HB ASP 20 3.383 1.017 -9.140 142 H CYS 21 H CYS 21 0.409 0.376 -5.744 143 HA CYS 21 HA CYS 21 -0.078 -2.195 -6.796 144 1HB CYS 21 1HB CYS 21 -0.816 -0.831 -4.535 145 2HB CYS 21 2HB CYS 21 -2.315 -0.847 -5.443 146 H GLY 22 H GLY 22 -0.560 0.964 -7.993 147 1HA GLY 22 1HA GLY 22 -1.799 0.221 -10.342 148 2HA GLY 22 2HA GLY 22 -1.769 1.840 -9.673 149 H TYR 23 H TYR 23 -3.466 2.430 -8.027 150 HA TYR 23 HA TYR 23 -5.985 1.203 -8.814 151 1HB TYR 23 1HB TYR 23 -4.656 0.421 -6.510 152 2HB TYR 23 2HB TYR 23 -5.488 1.834 -5.893 153 HD1 TYR 23 HD1 TYR 23 -6.641 -0.728 -8.374 154 HD2 TYR 23 HD2 TYR 23 -7.186 1.025 -4.509 155 HE1 TYR 23 HE1 TYR 23 -8.749 -2.109 -8.037 156 HE2 TYR 23 HE2 TYR 23 -9.292 -0.362 -4.185 157 HH TYR 23 HH TYR 23 -11.031 -1.473 -6.127 158 HA PRO 24 HA PRO 24 -7.185 5.360 -8.609 159 1HB PRO 24 1HB PRO 24 -9.902 5.091 -8.713 160 2HB PRO 24 2HB PRO 24 -8.877 5.015 -10.132 161 1HG PRO 24 1HG PRO 24 -10.228 2.809 -8.701 162 2HG PRO 24 2HG PRO 24 -9.568 2.823 -10.325 163 1HD PRO 24 1HD PRO 24 -8.390 1.619 -8.003 164 2HD PRO 24 2HD PRO 24 -7.677 1.734 -9.600 165 H HIS 25 H HIS 25 -9.826 3.871 -6.831 166 HA HIS 25 HA HIS 25 -9.686 5.890 -4.875 167 1HB HIS 25 1HB HIS 25 -11.673 5.082 -4.228 168 2HB HIS 25 2HB HIS 25 -11.586 4.145 -5.706 169 HD1 HIS 25 HD1 HIS 25 -12.185 3.735 -2.194 170 HD2 HIS 25 HD2 HIS 25 -10.244 1.460 -5.137 171 HE1 HIS 25 HE1 HIS 25 -12.053 1.354 -1.286 172 HE2 HIS 25 HE2 HIS 25 -10.900 -0.008 -3.160 173 H VAL 26 H VAL 26 -7.740 6.044 -3.782 174 HA VAL 26 HA VAL 26 -7.008 3.651 -2.245 175 HB VAL 26 HB VAL 26 -4.645 4.447 -2.468 176 1HG1 VAL 26 1HG1 VAL 26 -6.198 3.519 -4.894 177 2HG1 VAL 26 2HG1 VAL 26 -4.422 3.635 -4.879 178 3HG1 VAL 26 3HG1 VAL 26 -5.252 2.547 -3.742 179 1HG2 VAL 26 1HG2 VAL 26 -5.865 6.696 -3.656 180 2HG2 VAL 26 2HG2 VAL 26 -4.125 6.359 -3.493 181 3HG2 VAL 26 3HG2 VAL 26 -4.994 5.860 -4.965 182 H THR 27 H THR 27 -7.056 3.978 -0.080 183 HA THR 27 HA THR 27 -6.543 6.681 0.910 184 HB THR 27 HB THR 27 -8.651 6.915 1.880 185 HG1 THR 27 HG1 THR 27 -9.631 5.065 2.810 186 1HG2 THR 27 1HG2 THR 27 -9.244 4.815 -0.272 187 2HG2 THR 27 2HG2 THR 27 -10.462 5.849 0.511 188 3HG2 THR 27 3HG2 THR 27 -9.212 6.576 -0.527 189 HA PRO 28 HA PRO 28 -4.595 4.661 4.164 190 1HB PRO 28 1HB PRO 28 -5.312 6.004 6.433 191 2HB PRO 28 2HB PRO 28 -4.124 6.609 5.296 192 1HG PRO 28 1HG PRO 28 -6.915 7.493 5.705 193 2HG PRO 28 2HG PRO 28 -5.603 8.334 4.903 194 1HD PRO 28 1HD PRO 28 -7.791 6.970 3.645 195 2HD PRO 28 2HD PRO 28 -6.419 7.711 2.846 196 H LYS 29 H LYS 29 -6.923 3.320 3.312 197 HA LYS 29 HA LYS 29 -7.119 1.463 5.367 198 1HB LYS 29 1HB LYS 29 -8.429 3.537 6.304 199 2HB LYS 29 2HB LYS 29 -9.697 3.001 5.221 200 1HG LYS 29 1HG LYS 29 -8.488 0.792 6.788 201 2HG LYS 29 2HG LYS 29 -9.242 2.017 7.789 202 1HD LYS 29 1HD LYS 29 -10.702 0.901 5.369 203 2HD LYS 29 2HD LYS 29 -10.708 0.026 6.888 204 1HE LYS 29 1HE LYS 29 -11.446 2.973 6.817 205 2HE LYS 29 2HE LYS 29 -12.635 1.754 6.402 206 1HZ LYS 29 1HZ LYS 29 -11.488 0.845 8.686 207 2HZ LYS 29 2HZ LYS 29 -11.627 2.452 8.942 208 3HZ LYS 29 3HZ LYS 29 -12.947 1.569 8.564 209 H GLU 30 H GLU 30 -8.907 3.120 2.696 210 HA GLU 30 HA GLU 30 -10.143 0.746 1.855 211 1HB GLU 30 1HB GLU 30 -10.047 3.558 1.048 212 2HB GLU 30 2HB GLU 30 -10.033 2.507 -0.354 213 1HG GLU 30 1HG GLU 30 -12.343 2.809 0.077 214 2HG GLU 30 2HG GLU 30 -12.004 1.241 0.782 215 H CYS 31 H CYS 31 -7.111 2.464 0.996 216 HA CYS 31 HA CYS 31 -6.564 0.814 -1.238 217 1HB CYS 31 1HB CYS 31 -5.503 2.834 -1.402 218 2HB CYS 31 2HB CYS 31 -5.110 2.908 0.304 219 H ASN 32 H ASN 32 -6.154 0.644 2.267 220 HA ASN 32 HA ASN 32 -4.272 -1.530 1.990 221 1HB ASN 32 1HB ASN 32 -3.579 -0.941 4.100 222 2HB ASN 32 2HB ASN 32 -4.540 0.507 3.876 223 2HD2 ASN 32 2HD2 ASN 32 -3.950 -2.024 5.866 224 1HD2 ASN 32 1HD2 ASN 32 -5.431 -2.113 6.759 225 H ASN 33 H ASN 33 -7.511 -1.186 1.639 226 HA ASN 33 HA ASN 33 -8.231 -3.413 3.350 227 1HB ASN 33 1HB ASN 33 -9.742 -1.471 3.453 228 2HB ASN 33 2HB ASN 33 -9.895 -1.437 1.707 229 2HD2 ASN 33 2HD2 ASN 33 -12.191 -1.457 2.706 230 1HD2 ASN 33 1HD2 ASN 33 -12.977 -2.999 2.773 231 H ARG 34 H ARG 34 -8.140 -2.225 -0.059 232 HA ARG 34 HA ARG 34 -9.432 -4.355 -1.217 233 1HB ARG 34 1HB ARG 34 -8.550 -2.035 -2.182 234 2HB ARG 34 2HB ARG 34 -7.119 -2.957 -2.600 235 1HG ARG 34 1HG ARG 34 -9.964 -3.697 -3.435 236 2HG ARG 34 2HG ARG 34 -8.812 -2.866 -4.460 237 1HD ARG 34 1HD ARG 34 -7.273 -4.999 -3.741 238 2HD ARG 34 2HD ARG 34 -8.854 -5.741 -3.589 239 HE ARG 34 HE ARG 34 -8.727 -4.293 -6.070 240 1HH1 ARG 34 1HH1 ARG 34 -7.481 -7.209 -4.544 241 2HH1 ARG 34 2HH1 ARG 34 -7.286 -8.062 -6.038 242 1HH2 ARG 34 1HH2 ARG 34 -8.471 -5.418 -8.042 243 2HH2 ARG 34 2HH2 ARG 34 -7.853 -7.037 -8.042 244 H GLY 35 H GLY 35 -6.171 -4.005 0.090 245 1HA GLY 35 1HA GLY 35 -5.498 -6.702 -0.928 246 2HA GLY 35 2HA GLY 35 -5.114 -6.127 0.682 247 H CYS 36 H CYS 36 -3.733 -4.041 0.792 248 HA CYS 36 HA CYS 36 -1.359 -4.494 -0.544 249 1HB CYS 36 1HB CYS 36 -3.154 -3.256 -2.267 250 2HB CYS 36 2HB CYS 36 -2.184 -1.928 -1.660 251 H CYS 37 H CYS 37 -0.589 -1.602 -0.657 252 HA CYS 37 HA CYS 37 -1.000 -0.918 2.162 253 1HB CYS 37 1HB CYS 37 1.536 -1.123 0.594 254 2HB CYS 37 2HB CYS 37 1.405 0.134 1.808 255 H PHE 38 H PHE 38 -1.059 1.409 2.580 256 HA PHE 38 HA PHE 38 -1.490 2.965 0.126 257 1HB PHE 38 1HB PHE 38 -3.562 2.595 1.435 258 2HB PHE 38 2HB PHE 38 -2.740 2.988 2.932 259 HD1 PHE 38 HD1 PHE 38 -4.044 4.408 -0.215 260 HD2 PHE 38 HD2 PHE 38 -2.522 5.243 3.657 261 HE1 PHE 38 HE1 PHE 38 -4.772 6.799 -0.445 262 HE2 PHE 38 HE2 PHE 38 -3.250 7.634 3.427 263 HZ PHE 38 HZ PHE 38 -4.366 8.384 1.379 264 H ASP 39 H ASP 39 -1.352 5.475 0.722 265 HA ASP 39 HA ASP 39 0.295 6.240 2.801 266 1HB ASP 39 1HB ASP 39 2.129 5.107 1.702 267 2HB ASP 39 2HB ASP 39 1.667 5.730 0.131 268 H SER 40 H SER 40 0.516 8.601 2.769 269 HA SER 40 HA SER 40 -0.502 9.880 0.371 270 1HB SER 40 1HB SER 40 -1.971 11.344 1.707 271 2HB SER 40 2HB SER 40 -2.420 9.663 1.913 272 HG SER 40 HG SER 40 -2.082 9.875 4.008 273 H ARG 41 H ARG 41 2.119 9.450 2.087 274 HA ARG 41 HA ARG 41 2.783 11.871 3.208 275 1HB ARG 41 1HB ARG 41 3.988 9.443 3.068 276 2HB ARG 41 2HB ARG 41 4.924 10.256 1.829 277 1HG ARG 41 1HG ARG 41 5.950 11.686 3.334 278 2HG ARG 41 2HG ARG 41 4.533 11.804 4.359 279 1HD ARG 41 1HD ARG 41 5.383 9.079 4.515 280 2HD ARG 41 2HD ARG 41 6.841 10.043 4.631 281 HE ARG 41 HE ARG 41 4.819 9.798 6.656 282 1HH1 ARG 41 1HH1 ARG 41 6.944 12.197 5.203 283 2HH1 ARG 41 2HH1 ARG 41 7.009 13.186 6.624 284 1HH2 ARG 41 1HH2 ARG 41 4.905 11.103 8.531 285 2HH2 ARG 41 2HH2 ARG 41 5.842 12.560 8.529 286 H ILE 42 H ILE 42 3.361 10.544 -0.120 287 HA ILE 42 HA ILE 42 3.531 13.280 -1.089 288 HB ILE 42 HB ILE 42 5.515 12.099 -2.543 289 1HG1 ILE 42 1HG1 ILE 42 7.092 11.118 -0.896 290 2HG1 ILE 42 2HG1 ILE 42 5.829 11.145 0.319 291 1HG2 ILE 42 1HG2 ILE 42 5.255 14.151 -0.488 292 2HG2 ILE 42 2HG2 ILE 42 6.873 13.410 -0.514 293 3HG2 ILE 42 3HG2 ILE 42 6.206 14.143 -1.992 294 1HD1 ILE 42 1HD1 ILE 42 4.992 9.880 -2.232 295 2HD1 ILE 42 2HD1 ILE 42 6.316 9.034 -1.394 296 3HD1 ILE 42 3HD1 ILE 42 4.771 9.319 -0.557 297 HA PRO 43 HA PRO 43 1.047 11.385 -4.090 298 1HB PRO 43 1HB PRO 43 0.756 13.502 -5.793 299 2HB PRO 43 2HB PRO 43 -0.211 13.296 -4.346 300 1HG PRO 43 1HG PRO 43 2.031 15.162 -4.827 301 2HG PRO 43 2HG PRO 43 0.799 15.224 -3.583 302 1HD PRO 43 1HD PRO 43 3.523 14.384 -3.261 303 2HD PRO 43 2HD PRO 43 2.261 14.337 -2.046 304 H GLY 44 H GLY 44 3.940 13.087 -5.058 305 1HA GLY 44 1HA GLY 44 5.586 12.349 -6.437 306 2HA GLY 44 2HA GLY 44 4.295 12.417 -7.621 307 H VAL 45 H VAL 45 4.867 10.178 -4.816 308 HA VAL 45 HA VAL 45 5.388 8.010 -6.657 309 HB VAL 45 HB VAL 45 6.243 6.896 -4.863 310 1HG1 VAL 45 1HG1 VAL 45 6.998 9.507 -5.085 311 2HG1 VAL 45 2HG1 VAL 45 6.558 9.426 -3.362 312 3HG1 VAL 45 3HG1 VAL 45 7.785 8.317 -4.020 313 1HG2 VAL 45 1HG2 VAL 45 4.124 8.289 -3.237 314 2HG2 VAL 45 2HG2 VAL 45 4.435 6.548 -3.439 315 3HG2 VAL 45 3HG2 VAL 45 5.526 7.537 -2.439 316 HA PRO 46 HA PRO 46 1.462 6.209 -6.424 317 1HB PRO 46 1HB PRO 46 1.900 3.534 -6.079 318 2HB PRO 46 2HB PRO 46 2.086 4.344 -7.621 319 1HG PRO 46 1HG PRO 46 4.179 3.388 -5.766 320 2HG PRO 46 2HG PRO 46 4.322 3.801 -7.463 321 1HD PRO 46 1HD PRO 46 5.167 5.393 -5.231 322 2HD PRO 46 2HD PRO 46 5.203 5.855 -6.921 323 H TRP 47 H TRP 47 0.507 7.273 -4.694 324 HA TRP 47 HA TRP 47 0.861 6.963 -2.108 325 1HB TRP 47 1HB TRP 47 -1.589 7.276 -3.756 326 2HB TRP 47 2HB TRP 47 -1.821 6.869 -2.067 327 HD1 TRP 47 HD1 TRP 47 1.098 9.181 -3.061 328 HE1 TRP 47 HE1 TRP 47 0.739 11.627 -2.138 329 HE3 TRP 47 HE3 TRP 47 -3.653 8.425 -1.412 330 HZ2 TRP 47 HZ2 TRP 47 -1.443 12.941 -0.850 331 HZ3 TRP 47 HZ3 TRP 47 -4.826 10.342 -0.333 332 HH2 TRP 47 HH2 TRP 47 -3.797 12.540 -0.041 333 H CYS 48 H CYS 48 -1.122 4.663 -4.114 334 HA CYS 48 HA CYS 48 -1.028 2.776 -1.915 335 1HB CYS 48 1HB CYS 48 -3.125 3.354 -3.285 336 2HB CYS 48 2HB CYS 48 -2.420 2.377 -4.558 337 H PHE 49 H PHE 49 0.765 1.465 -1.835 338 HA PHE 49 HA PHE 49 1.746 0.428 -4.393 339 1HB PHE 49 1HB PHE 49 4.060 0.619 -3.183 340 2HB PHE 49 2HB PHE 49 3.351 2.123 -3.736 341 HD1 PHE 49 HD1 PHE 49 3.499 -0.049 -0.709 342 HD2 PHE 49 HD2 PHE 49 3.146 3.889 -2.250 343 HE1 PHE 49 HE1 PHE 49 3.641 0.874 1.620 344 HE2 PHE 49 HE2 PHE 49 3.288 4.813 0.080 345 HZ PHE 49 HZ PHE 49 3.533 3.295 1.987 346 H LYS 50 H LYS 50 3.181 -1.567 -4.045 347 HA LYS 50 HA LYS 50 1.749 -3.391 -2.432 348 1HB LYS 50 1HB LYS 50 4.300 -3.602 -4.047 349 2HB LYS 50 2HB LYS 50 3.616 -4.955 -3.169 350 1HG LYS 50 1HG LYS 50 1.383 -4.023 -4.504 351 2HG LYS 50 2HG LYS 50 2.644 -3.622 -5.653 352 1HD LYS 50 1HD LYS 50 3.307 -6.229 -4.792 353 2HD LYS 50 2HD LYS 50 1.560 -6.257 -4.926 354 1HE LYS 50 1HE LYS 50 2.568 -4.841 -7.223 355 2HE LYS 50 2HE LYS 50 3.526 -6.297 -7.049 356 1HZ LYS 50 1HZ LYS 50 0.675 -6.590 -6.717 357 2HZ LYS 50 2HZ LYS 50 1.201 -6.275 -8.231 358 3HZ LYS 50 3HZ LYS 50 1.749 -7.591 -7.434 359 HA PRO 51 HA PRO 51 4.015 -3.283 1.239 360 1HB PRO 51 1HB PRO 51 4.086 -5.891 2.054 361 2HB PRO 51 2HB PRO 51 2.678 -4.865 2.244 362 1HG PRO 51 1HG PRO 51 3.136 -7.040 0.295 363 2HG PRO 51 2HG PRO 51 1.622 -6.304 0.783 364 1HD PRO 51 1HD PRO 51 3.053 -5.832 -1.658 365 2HD PRO 51 2HD PRO 51 1.602 -5.012 -1.119 366 H LEU 52 H LEU 52 6.052 -2.714 1.626 367 HA LEU 52 HA LEU 52 8.120 -3.232 0.061 368 1HB LEU 52 1HB LEU 52 8.300 -1.735 1.889 369 2HB LEU 52 2HB LEU 52 8.039 -3.009 3.064 370 HG LEU 52 HG LEU 52 10.469 -2.816 1.264 371 1HD1 LEU 52 1HD1 LEU 52 10.008 -1.857 4.090 372 2HD1 LEU 52 2HD1 LEU 52 11.630 -2.191 3.440 373 3HD1 LEU 52 3HD1 LEU 52 10.609 -0.943 2.686 374 1HD2 LEU 52 1HD2 LEU 52 9.467 -4.867 3.096 375 2HD2 LEU 52 2HD2 LEU 52 10.717 -4.960 1.831 376 3HD2 LEU 52 3HD2 LEU 52 11.134 -4.354 3.452 377 H GLN 53 H GLN 53 9.554 -4.859 -0.460 378 HA GLN 53 HA GLN 53 8.698 -7.459 -0.011 379 1HB GLN 53 1HB GLN 53 11.021 -6.119 -1.310 380 2HB GLN 53 2HB GLN 53 11.318 -7.768 -0.794 381 1HG GLN 53 1HG GLN 53 10.274 -8.451 -2.691 382 2HG GLN 53 2HG GLN 53 8.770 -7.907 -1.974 383 2HE2 GLN 53 2HE2 GLN 53 8.628 -5.357 -2.023 384 1HE2 GLN 53 1HE2 GLN 53 8.858 -4.645 -3.586 385 H GLU 54 H GLU 54 8.463 -7.520 2.366 386 HA GLU 54 HA GLU 54 10.429 -7.034 4.153 387 1HB GLU 54 1HB GLU 54 9.137 -8.256 5.702 388 2HB GLU 54 2HB GLU 54 7.961 -7.763 4.500 389 1HG GLU 54 1HG GLU 54 8.428 -10.040 3.337 390 2HG GLU 54 2HG GLU 54 9.269 -10.497 4.804 391 H ALA 55 H ALA 55 12.493 -7.782 4.323 392 HA ALA 55 HA ALA 55 12.966 -10.616 4.105 393 1HB ALA 55 1HB ALA 55 13.918 -10.651 2.067 394 2HB ALA 55 2HB ALA 55 13.278 -9.010 1.812 395 3HB ALA 55 3HB ALA 55 14.924 -9.234 2.451 396 H GLU 56 H GLU 56 13.485 -10.399 6.345 397 HA GLU 56 HA GLU 56 15.245 -8.445 7.259 398 1HB GLU 56 1HB GLU 56 15.315 -9.785 9.329 399 2HB GLU 56 2HB GLU 56 13.673 -9.658 8.730 400 1HG GLU 56 1HG GLU 56 14.654 -11.955 7.442 401 2HG GLU 56 2HG GLU 56 15.372 -12.050 9.038 402 H CYS 57 H CYS 57 17.384 -8.232 6.781 403 HA CYS 57 HA CYS 57 19.181 -10.330 7.159 404 1HB CYS 57 1HB CYS 57 18.043 -10.149 4.473 405 2HB CYS 57 2HB CYS 57 19.789 -9.996 4.475 406 H THR 58 H THR 58 18.718 -7.575 4.811 407 HA THR 58 HA THR 58 20.727 -6.065 6.308 408 HB THR 58 HB THR 58 21.859 -7.348 4.431 409 HG1 THR 58 HG1 THR 58 23.023 -5.465 4.366 410 1HG2 THR 58 1HG2 THR 58 19.589 -6.301 2.931 411 2HG2 THR 58 2HG2 THR 58 21.099 -5.627 2.273 412 3HG2 THR 58 3HG2 THR 58 20.879 -7.391 2.367 413 H PHE 59 H PHE 59 20.401 -3.865 6.359 414 HA PHE 59 HA PHE 59 19.184 -2.023 6.329 415 1HB PHE 59 1HB PHE 59 19.333 -3.110 3.548 416 2HB PHE 59 2HB PHE 59 17.998 -1.996 3.762 417 HD1 PHE 59 HD1 PHE 59 21.665 -2.269 4.373 418 HD2 PHE 59 HD2 PHE 59 18.374 0.286 3.565 419 HE1 PHE 59 HE1 PHE 59 23.237 -0.333 4.096 420 HE2 PHE 59 HE2 PHE 59 19.947 2.223 3.287 421 HZ PHE 59 HZ PHE 59 22.359 1.890 3.556 No H/Q in entry = 421 Start of MODEL 37 1 H GLU 1 H GLU 1 0.934 -10.567 23.102 2 HA GLU 1 HA GLU 1 0.503 -12.000 21.013 3 1HB GLU 1 1HB GLU 1 -0.774 -9.356 20.466 4 2HB GLU 1 2HB GLU 1 0.198 -10.005 19.161 5 1HG GLU 1 1HG GLU 1 -1.515 -12.068 20.390 6 2HG GLU 1 2HG GLU 1 -2.451 -10.721 19.775 7 H GLU 2 H GLU 2 1.911 -11.072 18.857 8 HA GLU 2 HA GLU 2 4.393 -10.316 20.136 9 1HB GLU 2 1HB GLU 2 3.655 -11.695 17.554 10 2HB GLU 2 2HB GLU 2 5.216 -10.908 17.670 11 1HG GLU 2 1HG GLU 2 5.761 -12.235 19.701 12 2HG GLU 2 2HG GLU 2 4.179 -12.986 19.657 13 H TYR 3 H TYR 3 3.175 -9.678 16.782 14 HA TYR 3 HA TYR 3 3.124 -6.839 17.278 15 1HB TYR 3 1HB TYR 3 5.520 -8.120 16.520 16 2HB TYR 3 2HB TYR 3 4.840 -7.687 14.964 17 HD1 TYR 3 HD1 TYR 3 5.540 -6.146 18.315 18 HD2 TYR 3 HD2 TYR 3 5.332 -5.593 14.077 19 HE1 TYR 3 HE1 TYR 3 6.441 -3.782 18.572 20 HE2 TYR 3 HE2 TYR 3 6.234 -3.231 14.349 21 HH TYR 3 HH TYR 3 7.683 -2.046 16.066 22 H VAL 4 H VAL 4 2.870 -5.738 14.894 23 HA VAL 4 HA VAL 4 1.617 -7.350 12.944 24 HB VAL 4 HB VAL 4 -0.065 -7.253 14.881 25 1HG1 VAL 4 1HG1 VAL 4 0.347 -4.715 15.151 26 2HG1 VAL 4 2HG1 VAL 4 -0.747 -4.535 13.759 27 3HG1 VAL 4 3HG1 VAL 4 -1.327 -5.314 15.251 28 1HG2 VAL 4 1HG2 VAL 4 -0.347 -7.381 12.106 29 2HG2 VAL 4 2HG2 VAL 4 -1.557 -7.848 13.326 30 3HG2 VAL 4 3HG2 VAL 4 -1.586 -6.212 12.625 31 H GLY 5 H GLY 5 2.602 -6.327 11.267 32 1HA GLY 5 1HA GLY 5 3.439 -4.646 10.006 33 2HA GLY 5 2HA GLY 5 3.195 -3.530 11.335 34 H LEU 6 H LEU 6 2.108 -4.499 8.236 35 HA LEU 6 HA LEU 6 0.656 -3.380 6.927 36 1HB LEU 6 1HB LEU 6 -1.431 -4.369 7.026 37 2HB LEU 6 2HB LEU 6 -0.364 -5.537 7.782 38 HG LEU 6 HG LEU 6 -1.248 -4.067 9.947 39 1HD1 LEU 6 1HD1 LEU 6 -3.041 -3.467 7.846 40 2HD1 LEU 6 2HD1 LEU 6 -3.882 -4.597 8.934 41 3HD1 LEU 6 3HD1 LEU 6 -3.200 -3.084 9.577 42 1HD2 LEU 6 1HD2 LEU 6 -1.108 -6.656 9.285 43 2HD2 LEU 6 2HD2 LEU 6 -2.030 -6.062 10.688 44 3HD2 LEU 6 3HD2 LEU 6 -2.870 -6.433 9.162 45 H SER 7 H SER 7 1.636 -1.289 7.932 46 HA SER 7 HA SER 7 -0.431 0.493 8.230 47 1HB SER 7 1HB SER 7 -0.607 0.994 10.500 48 2HB SER 7 2HB SER 7 -0.402 -0.746 10.560 49 HG SER 7 HG SER 7 1.373 -0.444 11.702 50 H ALA 8 H ALA 8 2.956 -0.432 8.911 51 HA ALA 8 HA ALA 8 3.853 1.965 7.596 52 1HB ALA 8 1HB ALA 8 4.590 3.122 9.387 53 2HB ALA 8 2HB ALA 8 5.268 1.663 10.149 54 3HB ALA 8 3HB ALA 8 3.547 2.062 10.365 55 H ASN 9 H ASN 9 4.690 -0.947 9.580 56 HA ASN 9 HA ASN 9 7.247 -1.242 8.675 57 1HB ASN 9 1HB ASN 9 6.413 -2.610 10.511 58 2HB ASN 9 2HB ASN 9 5.142 -3.291 9.516 59 2HD2 ASN 9 2HD2 ASN 9 8.655 -3.028 9.858 60 1HD2 ASN 9 1HD2 ASN 9 9.068 -4.565 9.175 61 H GLN 10 H GLN 10 4.306 -3.119 7.587 62 HA GLN 10 HA GLN 10 5.542 -4.203 5.370 63 1HB GLN 10 1HB GLN 10 3.191 -4.637 6.637 64 2HB GLN 10 2HB GLN 10 2.584 -3.695 5.290 65 1HG GLN 10 1HG GLN 10 3.961 -5.285 3.762 66 2HG GLN 10 2HG GLN 10 4.146 -6.306 5.173 67 2HE2 GLN 10 2HE2 GLN 10 1.591 -4.435 3.535 68 1HE2 GLN 10 1HE2 GLN 10 0.356 -5.648 3.599 69 H CYS 11 H CYS 11 4.235 -1.010 5.965 70 HA CYS 11 HA CYS 11 4.520 -0.434 3.105 71 1HB CYS 11 1HB CYS 11 2.871 1.398 4.738 72 2HB CYS 11 2HB CYS 11 2.682 0.879 3.075 73 H ALA 12 H ALA 12 6.819 -0.480 4.583 74 HA ALA 12 HA ALA 12 7.246 2.324 5.357 75 1HB ALA 12 1HB ALA 12 9.382 0.904 6.362 76 2HB ALA 12 2HB ALA 12 7.912 1.317 7.277 77 3HB ALA 12 3HB ALA 12 8.059 -0.278 6.502 78 H VAL 13 H VAL 13 7.210 2.189 2.731 79 HA VAL 13 HA VAL 13 9.894 1.489 1.818 80 HB VAL 13 HB VAL 13 7.914 2.502 -0.105 81 1HG1 VAL 13 1HG1 VAL 13 10.156 0.665 0.022 82 2HG1 VAL 13 2HG1 VAL 13 8.754 -0.093 -0.771 83 3HG1 VAL 13 3HG1 VAL 13 9.403 1.445 -1.390 84 1HG2 VAL 13 1HG2 VAL 13 7.344 0.043 1.564 85 2HG2 VAL 13 2HG2 VAL 13 6.273 1.420 1.211 86 3HG2 VAL 13 3HG2 VAL 13 6.686 0.260 -0.075 87 HA PRO 14 HA PRO 14 11.038 5.654 1.682 88 1HB PRO 14 1HB PRO 14 13.050 5.592 -0.167 89 2HB PRO 14 2HB PRO 14 13.269 5.110 1.503 90 1HG PRO 14 1HG PRO 14 13.050 3.407 -0.903 91 2HG PRO 14 2HG PRO 14 13.681 2.996 0.679 92 1HD PRO 14 1HD PRO 14 11.124 2.262 -0.392 93 2HD PRO 14 2HD PRO 14 11.709 1.951 1.230 94 H ALA 15 H ALA 15 9.294 4.238 -0.662 95 HA ALA 15 HA ALA 15 7.827 5.268 -2.032 96 1HB ALA 15 1HB ALA 15 8.685 7.449 -0.665 97 2HB ALA 15 2HB ALA 15 7.591 7.542 -2.066 98 3HB ALA 15 3HB ALA 15 9.335 7.827 -2.278 99 H LYS 16 H LYS 16 11.336 5.341 -2.320 100 HA LYS 16 HA LYS 16 11.198 5.541 -5.209 101 1HB LYS 16 1HB LYS 16 13.629 5.586 -5.103 102 2HB LYS 16 2HB LYS 16 12.940 6.772 -4.013 103 1HG LYS 16 1HG LYS 16 14.419 5.825 -2.520 104 2HG LYS 16 2HG LYS 16 13.104 4.693 -2.279 105 1HD LYS 16 1HD LYS 16 14.693 3.115 -2.772 106 2HD LYS 16 2HD LYS 16 14.316 3.522 -4.434 107 1HE LYS 16 1HE LYS 16 16.245 4.854 -4.698 108 2HE LYS 16 2HE LYS 16 16.384 5.182 -2.982 109 1HZ LYS 16 1HZ LYS 16 16.942 2.821 -2.694 110 2HZ LYS 16 2HZ LYS 16 16.948 2.627 -4.316 111 3HZ LYS 16 3HZ LYS 16 18.031 3.625 -3.609 112 H ASP 17 H ASP 17 10.337 3.203 -3.139 113 HA ASP 17 HA ASP 17 11.431 1.156 -4.897 114 1HB ASP 17 1HB ASP 17 12.603 0.858 -2.816 115 2HB ASP 17 2HB ASP 17 11.160 1.156 -1.868 116 H ARG 18 H ARG 18 8.828 2.806 -4.662 117 HA ARG 18 HA ARG 18 6.905 1.000 -3.662 118 1HB ARG 18 1HB ARG 18 6.383 3.334 -5.557 119 2HB ARG 18 2HB ARG 18 5.275 2.649 -4.384 120 1HG ARG 18 1HG ARG 18 7.917 3.793 -3.437 121 2HG ARG 18 2HG ARG 18 6.601 4.883 -3.826 122 1HD ARG 18 1HD ARG 18 5.330 2.934 -2.272 123 2HD ARG 18 2HD ARG 18 6.905 3.057 -1.513 124 HE ARG 18 HE ARG 18 5.583 5.634 -2.106 125 1HH1 ARG 18 1HH1 ARG 18 6.230 3.127 0.278 126 2HH1 ARG 18 2HH1 ARG 18 5.869 4.144 1.633 127 1HH2 ARG 18 1HH2 ARG 18 5.107 6.976 -0.318 128 2HH2 ARG 18 2HH2 ARG 18 5.225 6.348 1.291 129 H VAL 19 H VAL 19 5.696 -0.550 -4.787 130 HA VAL 19 HA VAL 19 6.515 -1.010 -7.541 131 HB VAL 19 HB VAL 19 4.709 -2.777 -5.924 132 1HG1 VAL 19 1HG1 VAL 19 6.635 -3.105 -8.217 133 2HG1 VAL 19 2HG1 VAL 19 6.204 -4.497 -7.195 134 3HG1 VAL 19 3HG1 VAL 19 4.935 -3.618 -8.082 135 1HG2 VAL 19 1HG2 VAL 19 7.565 -2.154 -5.377 136 2HG2 VAL 19 2HG2 VAL 19 6.285 -2.738 -4.287 137 3HG2 VAL 19 3HG2 VAL 19 7.113 -3.876 -5.378 138 H ASP 20 H ASP 20 4.114 0.659 -5.820 139 HA ASP 20 HA ASP 20 2.189 1.510 -6.338 140 1HB ASP 20 1HB ASP 20 3.160 2.540 -8.253 141 2HB ASP 20 2HB ASP 20 3.331 1.016 -9.102 142 H CYS 21 H CYS 21 0.454 0.217 -5.674 143 HA CYS 21 HA CYS 21 0.058 -2.365 -6.787 144 1HB CYS 21 1HB CYS 21 -0.521 -1.305 -4.404 145 2HB CYS 21 2HB CYS 21 -2.068 -1.031 -5.180 146 H GLY 22 H GLY 22 -0.890 0.919 -7.529 147 1HA GLY 22 1HA GLY 22 -2.177 0.181 -9.932 148 2HA GLY 22 2HA GLY 22 -2.115 1.777 -9.210 149 H TYR 23 H TYR 23 -3.789 2.479 -7.750 150 HA TYR 23 HA TYR 23 -6.240 0.914 -8.067 151 1HB TYR 23 1HB TYR 23 -4.703 1.774 -5.596 152 2HB TYR 23 2HB TYR 23 -6.446 1.943 -5.509 153 HD1 TYR 23 HD1 TYR 23 -7.739 -0.277 -6.451 154 HD2 TYR 23 HD2 TYR 23 -3.819 -0.185 -4.740 155 HE1 TYR 23 HE1 TYR 23 -7.940 -2.737 -5.841 156 HE2 TYR 23 HE2 TYR 23 -4.033 -2.645 -4.135 157 HH TYR 23 HH TYR 23 -5.569 -4.651 -5.276 158 HA PRO 24 HA PRO 24 -7.867 4.852 -8.832 159 1HB PRO 24 1HB PRO 24 -10.541 4.352 -8.564 160 2HB PRO 24 2HB PRO 24 -9.634 3.966 -10.013 161 1HG PRO 24 1HG PRO 24 -10.621 2.144 -7.905 162 2HG PRO 24 2HG PRO 24 -10.103 1.759 -9.534 163 1HD PRO 24 1HD PRO 24 -8.616 1.343 -7.118 164 2HD PRO 24 2HD PRO 24 -8.054 1.067 -8.755 165 H HIS 25 H HIS 25 -10.004 3.573 -6.329 166 HA HIS 25 HA HIS 25 -9.684 6.110 -4.967 167 1HB HIS 25 1HB HIS 25 -11.613 5.492 -3.699 168 2HB HIS 25 2HB HIS 25 -11.938 5.167 -5.390 169 HD1 HIS 25 HD1 HIS 25 -13.632 3.726 -3.312 170 HD2 HIS 25 HD2 HIS 25 -10.053 2.155 -4.834 171 HE1 HIS 25 HE1 HIS 25 -13.751 1.202 -2.957 172 HE2 HIS 25 HE2 HIS 25 -11.549 0.286 -3.961 173 H VAL 26 H VAL 26 -7.496 5.885 -4.222 174 HA VAL 26 HA VAL 26 -7.041 3.675 -2.369 175 HB VAL 26 HB VAL 26 -4.687 4.462 -2.478 176 1HG1 VAL 26 1HG1 VAL 26 -5.476 2.651 -3.925 177 2HG1 VAL 26 2HG1 VAL 26 -5.985 3.835 -5.152 178 3HG1 VAL 26 3HG1 VAL 26 -4.259 3.645 -4.761 179 1HG2 VAL 26 1HG2 VAL 26 -5.795 6.806 -3.501 180 2HG2 VAL 26 2HG2 VAL 26 -4.066 6.387 -3.437 181 3HG2 VAL 26 3HG2 VAL 26 -5.011 6.047 -4.907 182 H THR 27 H THR 27 -6.929 3.963 -0.177 183 HA THR 27 HA THR 27 -6.598 6.657 0.862 184 HB THR 27 HB THR 27 -8.725 6.782 1.884 185 HG1 THR 27 HG1 THR 27 -9.933 4.701 2.138 186 1HG2 THR 27 1HG2 THR 27 -9.177 5.059 -0.610 187 2HG2 THR 27 2HG2 THR 27 -10.474 5.888 0.284 188 3HG2 THR 27 3HG2 THR 27 -9.213 6.838 -0.538 189 HA PRO 28 HA PRO 28 -4.694 4.599 4.115 190 1HB PRO 28 1HB PRO 28 -5.398 5.980 6.366 191 2HB PRO 28 2HB PRO 28 -4.186 6.547 5.234 192 1HG PRO 28 1HG PRO 28 -6.959 7.499 5.611 193 2HG PRO 28 2HG PRO 28 -5.621 8.302 4.813 194 1HD PRO 28 1HD PRO 28 -7.829 6.978 3.548 195 2HD PRO 28 2HD PRO 28 -6.434 7.680 2.754 196 H LYS 29 H LYS 29 -7.051 3.311 3.256 197 HA LYS 29 HA LYS 29 -7.306 1.474 5.322 198 1HB LYS 29 1HB LYS 29 -8.561 3.572 6.255 199 2HB LYS 29 2HB LYS 29 -9.833 3.098 5.147 200 1HG LYS 29 1HG LYS 29 -8.727 0.837 6.726 201 2HG LYS 29 2HG LYS 29 -9.478 2.078 7.709 202 1HD LYS 29 1HD LYS 29 -11.578 1.895 6.486 203 2HD LYS 29 2HD LYS 29 -10.847 0.875 5.263 204 1HE LYS 29 1HE LYS 29 -10.821 -1.014 6.640 205 2HE LYS 29 2HE LYS 29 -10.677 -0.077 8.114 206 1HZ LYS 29 1HZ LYS 29 -13.102 0.466 6.769 207 2HZ LYS 29 2HZ LYS 29 -12.958 -1.126 7.104 208 3HZ LYS 29 3HZ LYS 29 -12.861 -0.027 8.308 209 H GLU 30 H GLU 30 -8.890 3.151 2.557 210 HA GLU 30 HA GLU 30 -10.213 0.786 1.743 211 1HB GLU 30 1HB GLU 30 -11.157 2.984 1.223 212 2HB GLU 30 2HB GLU 30 -9.717 3.446 0.339 213 1HG GLU 30 1HG GLU 30 -10.455 2.425 -1.551 214 2HG GLU 30 2HG GLU 30 -10.735 0.918 -0.701 215 H CYS 31 H CYS 31 -7.149 2.464 0.953 216 HA CYS 31 HA CYS 31 -6.603 0.835 -1.304 217 1HB CYS 31 1HB CYS 31 -5.510 2.832 -1.462 218 2HB CYS 31 2HB CYS 31 -5.166 2.923 0.254 219 H ASN 32 H ASN 32 -6.116 0.705 2.214 220 HA ASN 32 HA ASN 32 -4.237 -1.449 1.972 221 1HB ASN 32 1HB ASN 32 -5.594 -0.536 4.545 222 2HB ASN 32 2HB ASN 32 -4.017 -1.279 4.367 223 2HD2 ASN 32 2HD2 ASN 32 -2.461 0.072 4.793 224 1HD2 ASN 32 1HD2 ASN 32 -2.364 1.745 4.356 225 H ASN 33 H ASN 33 -7.567 -1.073 1.688 226 HA ASN 33 HA ASN 33 -8.189 -3.518 3.112 227 1HB ASN 33 1HB ASN 33 -9.729 -1.640 3.505 228 2HB ASN 33 2HB ASN 33 -9.934 -1.383 1.784 229 2HD2 ASN 33 2HD2 ASN 33 -12.141 -1.638 1.886 230 1HD2 ASN 33 1HD2 ASN 33 -12.921 -3.169 2.103 231 H ARG 34 H ARG 34 -8.244 -1.911 -0.123 232 HA ARG 34 HA ARG 34 -9.561 -3.828 -1.531 233 1HB ARG 34 1HB ARG 34 -8.371 -1.448 -2.147 234 2HB ARG 34 2HB ARG 34 -7.188 -2.533 -2.852 235 1HG ARG 34 1HG ARG 34 -9.027 -1.824 -4.449 236 2HG ARG 34 2HG ARG 34 -8.843 -3.560 -4.293 237 1HD ARG 34 1HD ARG 34 -10.727 -2.404 -2.313 238 2HD ARG 34 2HD ARG 34 -11.232 -2.154 -3.972 239 HE ARG 34 HE ARG 34 -11.275 -4.654 -2.555 240 1HH1 ARG 34 1HH1 ARG 34 -10.558 -3.336 -5.738 241 2HH1 ARG 34 2HH1 ARG 34 -10.944 -4.803 -6.573 242 1HH2 ARG 34 1HH2 ARG 34 -11.785 -6.590 -3.656 243 2HH2 ARG 34 2HH2 ARG 34 -11.647 -6.667 -5.381 244 H GLY 35 H GLY 35 -6.258 -3.784 -0.242 245 1HA GLY 35 1HA GLY 35 -5.723 -6.368 -1.583 246 2HA GLY 35 2HA GLY 35 -5.366 -6.060 0.105 247 H CYS 36 H CYS 36 -3.870 -4.123 0.576 248 HA CYS 36 HA CYS 36 -1.453 -4.490 -0.570 249 1HB CYS 36 1HB CYS 36 -3.081 -3.117 -2.427 250 2HB CYS 36 2HB CYS 36 -1.967 -1.929 -1.780 251 H CYS 37 H CYS 37 -0.499 -1.711 -0.560 252 HA CYS 37 HA CYS 37 -1.210 -0.993 2.192 253 1HB CYS 37 1HB CYS 37 1.418 -1.319 0.864 254 2HB CYS 37 2HB CYS 37 1.253 0.088 1.895 255 H PHE 38 H PHE 38 -1.212 1.355 2.633 256 HA PHE 38 HA PHE 38 -1.552 2.910 0.165 257 1HB PHE 38 1HB PHE 38 -3.653 2.582 1.441 258 2HB PHE 38 2HB PHE 38 -2.852 2.979 2.948 259 HD1 PHE 38 HD1 PHE 38 -4.066 4.387 -0.241 260 HD2 PHE 38 HD2 PHE 38 -2.617 5.235 3.657 261 HE1 PHE 38 HE1 PHE 38 -4.749 6.788 -0.509 262 HE2 PHE 38 HE2 PHE 38 -3.300 7.635 3.389 263 HZ PHE 38 HZ PHE 38 -4.358 8.383 1.309 264 H ASP 39 H ASP 39 -1.354 5.413 0.723 265 HA ASP 39 HA ASP 39 0.237 6.182 2.838 266 1HB ASP 39 1HB ASP 39 2.075 4.959 1.837 267 2HB ASP 39 2HB ASP 39 1.702 5.573 0.239 268 H SER 40 H SER 40 0.389 8.518 2.814 269 HA SER 40 HA SER 40 -0.457 9.765 0.325 270 1HB SER 40 1HB SER 40 -1.920 11.306 1.583 271 2HB SER 40 2HB SER 40 -2.422 9.643 1.814 272 HG SER 40 HG SER 40 -0.698 10.040 3.777 273 H ARG 41 H ARG 41 2.115 9.313 2.083 274 HA ARG 41 HA ARG 41 2.838 11.690 3.222 275 1HB ARG 41 1HB ARG 41 4.014 9.250 2.966 276 2HB ARG 41 2HB ARG 41 4.946 10.112 1.759 277 1HG ARG 41 1HG ARG 41 6.052 11.381 3.321 278 2HG ARG 41 2HG ARG 41 4.615 11.619 4.296 279 1HD ARG 41 1HD ARG 41 5.505 8.809 4.340 280 2HD ARG 41 2HD ARG 41 6.764 9.896 4.890 281 HE ARG 41 HE ARG 41 4.166 10.517 6.070 282 1HH1 ARG 41 1HH1 ARG 41 7.016 8.474 6.354 283 2HH1 ARG 41 2HH1 ARG 41 6.801 8.190 8.049 284 1HH2 ARG 41 1HH2 ARG 41 3.881 10.143 8.306 285 2HH2 ARG 41 2HH2 ARG 41 5.005 9.146 9.167 286 H ILE 42 H ILE 42 3.437 10.450 -0.143 287 HA ILE 42 HA ILE 42 3.550 13.211 -1.048 288 HB ILE 42 HB ILE 42 5.573 12.106 -2.509 289 1HG1 ILE 42 1HG1 ILE 42 7.158 11.126 -0.876 290 2HG1 ILE 42 2HG1 ILE 42 5.895 11.113 0.338 291 1HG2 ILE 42 1HG2 ILE 42 5.241 14.117 -0.429 292 2HG2 ILE 42 2HG2 ILE 42 6.875 13.411 -0.434 293 3HG2 ILE 42 3HG2 ILE 42 6.222 14.151 -1.915 294 1HD1 ILE 42 1HD1 ILE 42 5.053 9.871 -2.213 295 2HD1 ILE 42 2HD1 ILE 42 6.424 9.046 -1.434 296 3HD1 ILE 42 3HD1 ILE 42 4.896 9.264 -0.548 297 HA PRO 43 HA PRO 43 1.156 11.353 -4.139 298 1HB PRO 43 1HB PRO 43 0.923 13.475 -5.845 299 2HB PRO 43 2HB PRO 43 -0.081 13.274 -4.423 300 1HG PRO 43 1HG PRO 43 2.187 15.123 -4.846 301 2HG PRO 43 2HG PRO 43 0.925 15.193 -3.631 302 1HD PRO 43 1HD PRO 43 3.634 14.331 -3.244 303 2HD PRO 43 2HD PRO 43 2.342 14.292 -2.061 304 H GLY 44 H GLY 44 4.061 13.067 -5.067 305 1HA GLY 44 1HA GLY 44 5.740 12.320 -6.404 306 2HA GLY 44 2HA GLY 44 4.472 12.375 -7.612 307 H VAL 45 H VAL 45 4.833 10.148 -4.776 308 HA VAL 45 HA VAL 45 5.432 7.968 -6.603 309 HB VAL 45 HB VAL 45 6.274 6.858 -4.796 310 1HG1 VAL 45 1HG1 VAL 45 7.124 9.397 -5.089 311 2HG1 VAL 45 2HG1 VAL 45 6.595 9.462 -3.391 312 3HG1 VAL 45 3HG1 VAL 45 7.816 8.270 -3.898 313 1HG2 VAL 45 1HG2 VAL 45 4.194 8.315 -3.172 314 2HG2 VAL 45 2HG2 VAL 45 4.453 6.565 -3.369 315 3HG2 VAL 45 3HG2 VAL 45 5.580 7.525 -2.382 316 HA PRO 46 HA PRO 46 1.490 6.207 -6.371 317 1HB PRO 46 1HB PRO 46 1.918 3.523 -6.081 318 2HB PRO 46 2HB PRO 46 2.090 4.361 -7.610 319 1HG PRO 46 1HG PRO 46 4.200 3.360 -5.797 320 2HG PRO 46 2HG PRO 46 4.325 3.805 -7.488 321 1HD PRO 46 1HD PRO 46 5.204 5.350 -5.237 322 2HD PRO 46 2HD PRO 46 5.223 5.843 -6.919 323 H TRP 47 H TRP 47 0.592 7.263 -4.596 324 HA TRP 47 HA TRP 47 0.960 6.910 -2.029 325 1HB TRP 47 1HB TRP 47 -1.539 7.185 -3.626 326 2HB TRP 47 2HB TRP 47 -1.703 6.821 -1.920 327 HD1 TRP 47 HD1 TRP 47 1.181 9.112 -3.023 328 HE1 TRP 47 HE1 TRP 47 0.825 11.585 -2.174 329 HE3 TRP 47 HE3 TRP 47 -3.558 8.404 -1.322 330 HZ2 TRP 47 HZ2 TRP 47 -1.350 12.938 -0.915 331 HZ3 TRP 47 HZ3 TRP 47 -4.727 10.352 -0.296 332 HH2 TRP 47 HH2 TRP 47 -3.699 12.559 -0.079 333 H CYS 48 H CYS 48 -1.023 4.616 -4.042 334 HA CYS 48 HA CYS 48 -0.893 2.705 -1.864 335 1HB CYS 48 1HB CYS 48 -2.997 3.300 -3.258 336 2HB CYS 48 2HB CYS 48 -2.294 2.270 -4.490 337 H PHE 49 H PHE 49 0.900 1.394 -1.817 338 HA PHE 49 HA PHE 49 1.871 0.402 -4.395 339 1HB PHE 49 1HB PHE 49 4.193 0.594 -3.202 340 2HB PHE 49 2HB PHE 49 3.470 2.100 -3.729 341 HD1 PHE 49 HD1 PHE 49 3.734 -0.107 -0.741 342 HD2 PHE 49 HD2 PHE 49 3.189 3.837 -2.208 343 HE1 PHE 49 HE1 PHE 49 3.889 0.785 1.600 344 HE2 PHE 49 HE2 PHE 49 3.344 4.729 0.133 345 HZ PHE 49 HZ PHE 49 3.692 3.192 2.009 346 H LYS 50 H LYS 50 3.324 -1.587 -4.085 347 HA LYS 50 HA LYS 50 1.915 -3.454 -2.515 348 1HB LYS 50 1HB LYS 50 4.470 -3.566 -4.125 349 2HB LYS 50 2HB LYS 50 3.880 -4.949 -3.225 350 1HG LYS 50 1HG LYS 50 1.576 -4.147 -4.533 351 2HG LYS 50 2HG LYS 50 2.800 -3.705 -5.707 352 1HD LYS 50 1HD LYS 50 3.574 -6.275 -4.777 353 2HD LYS 50 2HD LYS 50 1.834 -6.367 -4.961 354 1HE LYS 50 1HE LYS 50 2.702 -4.971 -7.264 355 2HE LYS 50 2HE LYS 50 3.914 -6.215 -7.032 356 1HZ LYS 50 1HZ LYS 50 1.373 -7.297 -6.605 357 2HZ LYS 50 2HZ LYS 50 1.384 -6.529 -8.046 358 3HZ LYS 50 3HZ LYS 50 2.477 -7.703 -7.738 359 HA PRO 51 HA PRO 51 4.111 -3.376 1.199 360 1HB PRO 51 1HB PRO 51 4.252 -5.998 1.955 361 2HB PRO 51 2HB PRO 51 2.808 -5.024 2.141 362 1HG PRO 51 1HG PRO 51 3.374 -7.136 0.152 363 2HG PRO 51 2HG PRO 51 1.828 -6.461 0.626 364 1HD PRO 51 1HD PRO 51 3.289 -5.885 -1.774 365 2HD PRO 51 2HD PRO 51 1.801 -5.125 -1.245 366 H LEU 52 H LEU 52 6.120 -2.735 1.616 367 HA LEU 52 HA LEU 52 8.236 -3.108 0.112 368 1HB LEU 52 1HB LEU 52 8.537 -1.741 1.933 369 2HB LEU 52 2HB LEU 52 7.942 -2.929 3.076 370 HG LEU 52 HG LEU 52 10.572 -3.266 1.624 371 1HD1 LEU 52 1HD1 LEU 52 9.941 -1.282 3.575 372 2HD1 LEU 52 2HD1 LEU 52 11.007 -2.492 4.327 373 3HD1 LEU 52 3HD1 LEU 52 11.513 -1.666 2.834 374 1HD2 LEU 52 1HD2 LEU 52 9.054 -4.959 3.296 375 2HD2 LEU 52 2HD2 LEU 52 10.709 -5.205 2.690 376 3HD2 LEU 52 3HD2 LEU 52 10.445 -4.408 4.259 377 H GLN 53 H GLN 53 9.809 -4.629 -0.412 378 HA GLN 53 HA GLN 53 9.008 -7.282 -0.247 379 1HB GLN 53 1HB GLN 53 11.251 -5.743 -1.372 380 2HB GLN 53 2HB GLN 53 11.755 -7.327 -0.818 381 1HG GLN 53 1HG GLN 53 10.964 -7.294 -3.220 382 2HG GLN 53 2HG GLN 53 10.104 -8.440 -2.210 383 2HE2 GLN 53 2HE2 GLN 53 9.815 -4.909 -2.365 384 1HE2 GLN 53 1HE2 GLN 53 8.158 -4.838 -2.863 385 H GLU 54 H GLU 54 8.620 -7.469 2.127 386 HA GLU 54 HA GLU 54 10.331 -7.092 4.108 387 1HB GLU 54 1HB GLU 54 9.070 -8.625 5.360 388 2HB GLU 54 2HB GLU 54 7.969 -8.212 4.060 389 1HG GLU 54 1HG GLU 54 9.767 -10.681 4.163 390 2HG GLU 54 2HG GLU 54 8.032 -10.664 4.413 391 H ALA 55 H ALA 55 12.400 -7.679 4.602 392 HA ALA 55 HA ALA 55 13.336 -10.266 3.594 393 1HB ALA 55 1HB ALA 55 15.399 -8.188 3.600 394 2HB ALA 55 2HB ALA 55 14.943 -9.334 2.317 395 3HB ALA 55 3HB ALA 55 14.059 -7.800 2.494 396 H GLU 56 H GLU 56 12.396 -10.278 6.062 397 HA GLU 56 HA GLU 56 12.905 -10.717 8.127 398 1HB GLU 56 1HB GLU 56 15.146 -11.560 6.785 399 2HB GLU 56 2HB GLU 56 15.863 -10.413 7.899 400 1HG GLU 56 1HG GLU 56 15.860 -12.212 9.330 401 2HG GLU 56 2HG GLU 56 14.210 -11.706 9.634 402 H CYS 57 H CYS 57 15.696 -8.529 7.318 403 HA CYS 57 HA CYS 57 16.337 -6.607 8.159 404 1HB CYS 57 1HB CYS 57 13.897 -6.113 7.230 405 2HB CYS 57 2HB CYS 57 13.569 -5.791 8.921 406 H THR 58 H THR 58 16.965 -8.453 9.900 407 HA THR 58 HA THR 58 16.155 -7.347 12.488 408 HB THR 58 HB THR 58 16.047 -9.800 13.290 409 HG1 THR 58 HG1 THR 58 15.713 -11.267 11.427 410 1HG2 THR 58 1HG2 THR 58 14.013 -8.246 12.279 411 2HG2 THR 58 2HG2 THR 58 13.978 -9.608 11.133 412 3HG2 THR 58 3HG2 THR 58 13.769 -9.906 12.875 413 H PHE 59 H PHE 59 18.311 -9.818 10.926 414 HA PHE 59 HA PHE 59 20.330 -9.310 12.878 415 1HB PHE 59 1HB PHE 59 19.998 -10.891 10.279 416 2HB PHE 59 2HB PHE 59 21.579 -10.790 11.029 417 HD1 PHE 59 HD1 PHE 59 18.126 -11.313 12.371 418 HD2 PHE 59 HD2 PHE 59 22.106 -12.757 12.092 419 HE1 PHE 59 HE1 PHE 59 17.535 -13.233 13.876 420 HE2 PHE 59 HE2 PHE 59 21.515 -14.678 13.596 421 HZ PHE 59 HZ PHE 59 19.236 -14.893 14.470 No H/Q in entry = 421 Start of MODEL 38 1 H GLU 1 H GLU 1 -2.435 -7.476 23.636 2 HA GLU 1 HA GLU 1 -0.169 -7.093 23.591 3 1HB GLU 1 1HB GLU 1 -1.241 -7.751 20.824 4 2HB GLU 1 2HB GLU 1 0.478 -7.770 21.165 5 1HG GLU 1 1HG GLU 1 0.013 -9.374 23.087 6 2HG GLU 1 2HG GLU 1 -1.661 -9.433 22.574 7 H GLU 2 H GLU 2 1.665 -6.221 21.819 8 HA GLU 2 HA GLU 2 0.867 -3.468 21.279 9 1HB GLU 2 1HB GLU 2 3.113 -2.727 21.953 10 2HB GLU 2 2HB GLU 2 2.337 -3.582 23.271 11 1HG GLU 2 1HG GLU 2 3.552 -5.709 22.376 12 2HG GLU 2 2HG GLU 2 4.518 -4.609 21.413 13 H TYR 3 H TYR 3 3.186 -2.589 19.962 14 HA TYR 3 HA TYR 3 4.129 -2.561 17.956 15 1HB TYR 3 1HB TYR 3 5.496 -4.434 18.465 16 2HB TYR 3 2HB TYR 3 4.120 -5.435 18.885 17 HD1 TYR 3 HD1 TYR 3 5.852 -3.927 15.930 18 HD2 TYR 3 HD2 TYR 3 3.369 -7.086 17.398 19 HE1 TYR 3 HE1 TYR 3 6.020 -5.111 13.687 20 HE2 TYR 3 HE2 TYR 3 3.545 -8.260 15.150 21 HH TYR 3 HH TYR 3 4.300 -8.172 13.132 22 H VAL 4 H VAL 4 3.370 -2.173 15.913 23 HA VAL 4 HA VAL 4 0.848 -3.501 15.230 24 HB VAL 4 HB VAL 4 0.379 -1.596 13.869 25 1HG1 VAL 4 1HG1 VAL 4 1.021 -1.331 16.709 26 2HG1 VAL 4 2HG1 VAL 4 1.074 0.226 15.848 27 3HG1 VAL 4 3HG1 VAL 4 -0.401 -0.768 15.798 28 1HG2 VAL 4 1HG2 VAL 4 3.275 -0.952 14.311 29 2HG2 VAL 4 2HG2 VAL 4 2.305 -0.886 12.820 30 3HG2 VAL 4 3HG2 VAL 4 2.122 0.380 14.057 31 H GLY 5 H GLY 5 1.274 -2.472 12.386 32 1HA GLY 5 1HA GLY 5 2.985 -4.714 11.529 33 2HA GLY 5 2HA GLY 5 3.252 -3.105 10.886 34 H LEU 6 H LEU 6 -0.068 -3.686 11.693 35 HA LEU 6 HA LEU 6 -0.794 -4.958 9.249 36 1HB LEU 6 1HB LEU 6 -2.906 -5.029 10.098 37 2HB LEU 6 2HB LEU 6 -1.944 -4.999 11.562 38 HG LEU 6 HG LEU 6 -3.782 -3.552 11.918 39 1HD1 LEU 6 1HD1 LEU 6 -1.582 -2.730 12.711 40 2HD1 LEU 6 2HD1 LEU 6 -1.439 -1.762 11.224 41 3HD1 LEU 6 3HD1 LEU 6 -2.746 -1.425 12.384 42 1HD2 LEU 6 1HD2 LEU 6 -4.046 -3.282 9.294 43 2HD2 LEU 6 2HD2 LEU 6 -4.733 -2.102 10.436 44 3HD2 LEU 6 3HD2 LEU 6 -3.195 -1.751 9.611 45 H SER 7 H SER 7 0.398 -1.904 9.912 46 HA SER 7 HA SER 7 -0.317 -0.984 7.374 47 1HB SER 7 1HB SER 7 -1.511 1.144 8.293 48 2HB SER 7 2HB SER 7 -2.447 -0.328 8.126 49 HG SER 7 HG SER 7 -2.899 0.462 10.181 50 H ALA 8 H ALA 8 2.113 -1.074 7.684 51 HA ALA 8 HA ALA 8 3.249 1.378 7.842 52 1HB ALA 8 1HB ALA 8 2.831 0.161 10.539 53 2HB ALA 8 2HB ALA 8 4.419 0.903 10.227 54 3HB ALA 8 3HB ALA 8 2.935 1.872 10.060 55 H ASN 9 H ASN 9 4.396 -1.445 9.781 56 HA ASN 9 HA ASN 9 6.831 -1.614 8.728 57 1HB ASN 9 1HB ASN 9 5.155 -3.273 10.314 58 2HB ASN 9 2HB ASN 9 5.696 -4.319 9.015 59 2HD2 ASN 9 2HD2 ASN 9 7.648 -5.175 9.088 60 1HD2 ASN 9 1HD2 ASN 9 8.917 -4.762 10.193 61 H GLN 10 H GLN 10 3.735 -2.835 7.371 62 HA GLN 10 HA GLN 10 5.020 -4.250 5.270 63 1HB GLN 10 1HB GLN 10 2.579 -4.467 6.440 64 2HB GLN 10 2HB GLN 10 2.129 -3.486 5.060 65 1HG GLN 10 1HG GLN 10 3.393 -5.191 3.592 66 2HG GLN 10 2HG GLN 10 3.497 -6.210 5.014 67 2HE2 GLN 10 2HE2 GLN 10 1.423 -6.611 6.181 68 1HE2 GLN 10 1HE2 GLN 10 -0.003 -6.907 5.243 69 H CYS 11 H CYS 11 3.598 -1.018 5.786 70 HA CYS 11 HA CYS 11 4.251 -0.395 2.999 71 1HB CYS 11 1HB CYS 11 2.491 1.428 4.542 72 2HB CYS 11 2HB CYS 11 2.475 1.011 2.840 73 H ALA 12 H ALA 12 6.380 -0.538 4.752 74 HA ALA 12 HA ALA 12 6.785 2.196 5.720 75 1HB ALA 12 1HB ALA 12 8.899 0.297 6.340 76 2HB ALA 12 2HB ALA 12 7.851 1.221 7.443 77 3HB ALA 12 3HB ALA 12 7.309 -0.352 6.810 78 H VAL 13 H VAL 13 6.718 1.899 2.923 79 HA VAL 13 HA VAL 13 9.501 1.670 2.105 80 HB VAL 13 HB VAL 13 7.492 2.423 0.111 81 1HG1 VAL 13 1HG1 VAL 13 9.897 0.808 0.367 82 2HG1 VAL 13 2HG1 VAL 13 8.615 -0.068 -0.504 83 3HG1 VAL 13 3HG1 VAL 13 9.155 1.527 -1.083 84 1HG2 VAL 13 1HG2 VAL 13 7.081 -0.019 1.837 85 2HG2 VAL 13 2HG2 VAL 13 5.892 1.190 1.298 86 3HG2 VAL 13 3HG2 VAL 13 6.552 0.013 0.137 87 HA PRO 14 HA PRO 14 10.062 5.952 1.990 88 1HB PRO 14 1HB PRO 14 12.035 6.201 0.115 89 2HB PRO 14 2HB PRO 14 12.343 5.725 1.774 90 1HG PRO 14 1HG PRO 14 12.326 4.050 -0.662 91 2HG PRO 14 2HG PRO 14 13.031 3.703 0.904 92 1HD PRO 14 1HD PRO 14 10.583 2.641 -0.149 93 2HD PRO 14 2HD PRO 14 11.230 2.386 1.459 94 H ALA 15 H ALA 15 10.257 4.833 -1.364 95 HA ALA 15 HA ALA 15 7.918 5.733 -2.291 96 1HB ALA 15 1HB ALA 15 9.533 7.996 -1.426 97 2HB ALA 15 2HB ALA 15 7.848 7.963 -2.000 98 3HB ALA 15 3HB ALA 15 9.185 8.092 -3.169 99 H LYS 16 H LYS 16 11.387 5.339 -2.589 100 HA LYS 16 HA LYS 16 11.208 5.235 -5.493 101 1HB LYS 16 1HB LYS 16 13.615 5.164 -5.460 102 2HB LYS 16 2HB LYS 16 13.066 6.469 -4.427 103 1HG LYS 16 1HG LYS 16 14.609 5.490 -2.995 104 2HG LYS 16 2HG LYS 16 13.182 4.588 -2.524 105 1HD LYS 16 1HD LYS 16 14.072 2.633 -3.264 106 2HD LYS 16 2HD LYS 16 14.438 3.319 -4.834 107 1HE LYS 16 1HE LYS 16 16.583 4.115 -4.122 108 2HE LYS 16 2HE LYS 16 16.175 3.966 -2.424 109 1HZ LYS 16 1HZ LYS 16 15.959 1.518 -2.923 110 2HZ LYS 16 2HZ LYS 16 16.736 1.819 -4.328 111 3HZ LYS 16 3HZ LYS 16 17.472 2.132 -2.904 112 H ASP 17 H ASP 17 10.376 3.250 -2.997 113 HA ASP 17 HA ASP 17 11.352 0.904 -4.427 114 1HB ASP 17 1HB ASP 17 11.244 1.599 -1.587 115 2HB ASP 17 2HB ASP 17 10.337 0.129 -1.882 116 H ARG 18 H ARG 18 8.796 2.867 -4.410 117 HA ARG 18 HA ARG 18 6.709 1.112 -3.666 118 1HB ARG 18 1HB ARG 18 6.409 3.557 -5.458 119 2HB ARG 18 2HB ARG 18 5.231 2.892 -4.344 120 1HG ARG 18 1HG ARG 18 7.881 4.187 -3.543 121 2HG ARG 18 2HG ARG 18 6.309 4.954 -3.438 122 1HD ARG 18 1HD ARG 18 5.599 2.965 -1.930 123 2HD ARG 18 2HD ARG 18 7.297 2.536 -1.863 124 HE ARG 18 HE ARG 18 7.588 4.254 -0.321 125 1HH1 ARG 18 1HH1 ARG 18 4.824 5.047 -2.349 126 2HH1 ARG 18 2HH1 ARG 18 4.456 6.509 -1.496 127 1HH2 ARG 18 1HH2 ARG 18 7.102 6.182 0.805 128 2HH2 ARG 18 2HH2 ARG 18 5.760 7.159 0.310 129 H VAL 19 H VAL 19 5.996 -0.595 -4.904 130 HA VAL 19 HA VAL 19 6.803 -0.733 -7.668 131 HB VAL 19 HB VAL 19 5.133 -2.658 -6.046 132 1HG1 VAL 19 1HG1 VAL 19 6.421 -2.710 -8.728 133 2HG1 VAL 19 2HG1 VAL 19 6.544 -4.193 -7.751 134 3HG1 VAL 19 3HG1 VAL 19 4.946 -3.516 -8.144 135 1HG2 VAL 19 1HG2 VAL 19 7.216 -2.219 -4.847 136 2HG2 VAL 19 2HG2 VAL 19 7.239 -3.850 -5.559 137 3HG2 VAL 19 3HG2 VAL 19 8.155 -2.531 -6.327 138 H ASP 20 H ASP 20 4.309 0.763 -5.973 139 HA ASP 20 HA ASP 20 2.385 1.594 -6.523 140 1HB ASP 20 1HB ASP 20 3.356 2.642 -8.430 141 2HB ASP 20 2HB ASP 20 3.558 1.122 -9.278 142 H CYS 21 H CYS 21 0.539 0.404 -6.020 143 HA CYS 21 HA CYS 21 0.234 -2.218 -7.167 144 1HB CYS 21 1HB CYS 21 -0.357 -1.140 -4.712 145 2HB CYS 21 2HB CYS 21 -1.933 -1.176 -5.477 146 H GLY 22 H GLY 22 -0.820 1.090 -7.646 147 1HA GLY 22 1HA GLY 22 -2.201 0.459 -10.038 148 2HA GLY 22 2HA GLY 22 -2.107 2.018 -9.244 149 H TYR 23 H TYR 23 -3.769 2.712 -7.826 150 HA TYR 23 HA TYR 23 -6.200 1.115 -8.034 151 1HB TYR 23 1HB TYR 23 -4.599 1.970 -5.589 152 2HB TYR 23 2HB TYR 23 -6.345 2.008 -5.448 153 HD1 TYR 23 HD1 TYR 23 -3.479 -0.245 -6.230 154 HD2 TYR 23 HD2 TYR 23 -7.576 0.031 -5.028 155 HE1 TYR 23 HE1 TYR 23 -3.499 -2.732 -5.702 156 HE2 TYR 23 HE2 TYR 23 -7.582 -2.457 -4.504 157 HH TYR 23 HH TYR 23 -6.239 -4.478 -5.357 158 HA PRO 24 HA PRO 24 -7.835 5.080 -8.651 159 1HB PRO 24 1HB PRO 24 -10.504 4.525 -8.463 160 2HB PRO 24 2HB PRO 24 -9.565 4.240 -9.916 161 1HG PRO 24 1HG PRO 24 -10.561 2.282 -7.938 162 2HG PRO 24 2HG PRO 24 -10.008 2.002 -9.577 163 1HD PRO 24 1HD PRO 24 -8.558 1.465 -7.161 164 2HD PRO 24 2HD PRO 24 -7.963 1.295 -8.800 165 H HIS 25 H HIS 25 -10.007 3.631 -6.275 166 HA HIS 25 HA HIS 25 -9.788 6.089 -4.770 167 1HB HIS 25 1HB HIS 25 -11.644 5.188 -3.459 168 2HB HIS 25 2HB HIS 25 -12.001 5.193 -5.174 169 HD1 HIS 25 HD1 HIS 25 -13.830 3.356 -4.055 170 HD2 HIS 25 HD2 HIS 25 -9.847 2.153 -4.586 171 HE1 HIS 25 HE1 HIS 25 -13.843 0.805 -4.018 172 HE2 HIS 25 HE2 HIS 25 -11.377 0.123 -4.403 173 H VAL 26 H VAL 26 -7.568 5.904 -4.067 174 HA VAL 26 HA VAL 26 -7.026 3.648 -2.297 175 HB VAL 26 HB VAL 26 -4.707 4.496 -2.389 176 1HG1 VAL 26 1HG1 VAL 26 -6.087 3.928 -5.030 177 2HG1 VAL 26 2HG1 VAL 26 -4.321 3.940 -4.812 178 3HG1 VAL 26 3HG1 VAL 26 -5.319 2.760 -3.928 179 1HG2 VAL 26 1HG2 VAL 26 -5.907 6.865 -3.296 180 2HG2 VAL 26 2HG2 VAL 26 -4.166 6.516 -3.174 181 3HG2 VAL 26 3HG2 VAL 26 -5.028 6.219 -4.703 182 H THR 27 H THR 27 -6.658 3.889 -0.087 183 HA THR 27 HA THR 27 -6.579 6.563 1.025 184 HB THR 27 HB THR 27 -8.627 6.367 2.259 185 HG1 THR 27 HG1 THR 27 -8.267 3.600 1.390 186 1HG2 THR 27 1HG2 THR 27 -9.200 4.924 -0.383 187 2HG2 THR 27 2HG2 THR 27 -10.390 5.779 0.628 188 3HG2 THR 27 3HG2 THR 27 -9.109 6.693 -0.205 189 HA PRO 28 HA PRO 28 -4.287 4.605 4.080 190 1HB PRO 28 1HB PRO 28 -4.929 5.910 6.394 191 2HB PRO 28 2HB PRO 28 -3.842 6.573 5.190 192 1HG PRO 28 1HG PRO 28 -6.643 7.319 5.771 193 2HG PRO 28 2HG PRO 28 -5.425 8.224 4.894 194 1HD PRO 28 1HD PRO 28 -7.616 6.756 3.766 195 2HD PRO 28 2HD PRO 28 -6.333 7.564 2.888 196 H LYS 29 H LYS 29 -6.700 3.232 3.384 197 HA LYS 29 HA LYS 29 -6.644 1.320 5.410 198 1HB LYS 29 1HB LYS 29 -7.936 3.334 6.489 199 2HB LYS 29 2HB LYS 29 -9.271 2.779 5.500 200 1HG LYS 29 1HG LYS 29 -7.831 0.625 6.985 201 2HG LYS 29 2HG LYS 29 -8.672 1.782 7.997 202 1HD LYS 29 1HD LYS 29 -10.552 1.283 6.002 203 2HD LYS 29 2HD LYS 29 -9.776 -0.279 6.170 204 1HE LYS 29 1HE LYS 29 -10.082 0.234 8.794 205 2HE LYS 29 2HE LYS 29 -11.356 1.286 8.211 206 1HZ LYS 29 1HZ LYS 29 -11.257 -1.387 7.114 207 2HZ LYS 29 2HZ LYS 29 -11.749 -1.241 8.665 208 3HZ LYS 29 3HZ LYS 29 -12.551 -0.459 7.477 209 H GLU 30 H GLU 30 -8.719 2.955 2.937 210 HA GLU 30 HA GLU 30 -9.930 0.551 2.153 211 1HB GLU 30 1HB GLU 30 -10.585 3.112 1.781 212 2HB GLU 30 2HB GLU 30 -9.692 2.911 0.287 213 1HG GLU 30 1HG GLU 30 -11.558 1.986 -0.613 214 2HG GLU 30 2HG GLU 30 -11.297 0.597 0.423 215 H CYS 31 H CYS 31 -6.946 2.263 1.259 216 HA CYS 31 HA CYS 31 -6.559 0.728 -1.118 217 1HB CYS 31 1HB CYS 31 -5.573 2.790 -1.299 218 2HB CYS 31 2HB CYS 31 -5.038 2.819 0.369 219 H ASN 32 H ASN 32 -5.815 0.547 2.347 220 HA ASN 32 HA ASN 32 -3.926 -1.580 1.887 221 1HB ASN 32 1HB ASN 32 -4.918 -0.653 4.612 222 2HB ASN 32 2HB ASN 32 -3.366 -1.363 4.213 223 2HD2 ASN 32 2HD2 ASN 32 -5.404 1.483 3.913 224 1HD2 ASN 32 1HD2 ASN 32 -4.152 2.647 3.634 225 H ASN 33 H ASN 33 -7.231 -1.258 1.906 226 HA ASN 33 HA ASN 33 -7.694 -3.639 3.498 227 1HB ASN 33 1HB ASN 33 -9.178 -1.725 3.989 228 2HB ASN 33 2HB ASN 33 -9.599 -1.565 2.295 229 2HD2 ASN 33 2HD2 ASN 33 -11.475 -2.350 1.758 230 1HD2 ASN 33 1HD2 ASN 33 -12.307 -3.687 2.478 231 H ARG 34 H ARG 34 -8.090 -2.131 0.242 232 HA ARG 34 HA ARG 34 -9.545 -4.117 -0.944 233 1HB ARG 34 1HB ARG 34 -8.530 -1.723 -1.760 234 2HB ARG 34 2HB ARG 34 -7.390 -2.781 -2.567 235 1HG ARG 34 1HG ARG 34 -10.416 -3.105 -2.798 236 2HG ARG 34 2HG ARG 34 -9.464 -2.166 -3.931 237 1HD ARG 34 1HD ARG 34 -7.999 -4.427 -4.032 238 2HD ARG 34 2HD ARG 34 -9.503 -5.153 -3.501 239 HE ARG 34 HE ARG 34 -9.893 -3.309 -5.731 240 1HH1 ARG 34 1HH1 ARG 34 -8.989 -6.601 -4.877 241 2HH1 ARG 34 2HH1 ARG 34 -9.442 -7.260 -6.413 242 1HH2 ARG 34 1HH2 ARG 34 -10.491 -4.178 -7.758 243 2HH2 ARG 34 2HH2 ARG 34 -10.302 -5.873 -8.063 244 H GLY 35 H GLY 35 -6.124 -3.958 -0.048 245 1HA GLY 35 1HA GLY 35 -5.659 -6.540 -1.419 246 2HA GLY 35 2HA GLY 35 -5.148 -6.218 0.226 247 H CYS 36 H CYS 36 -3.648 -4.269 0.561 248 HA CYS 36 HA CYS 36 -1.357 -4.568 -0.837 249 1HB CYS 36 1HB CYS 36 -3.187 -3.233 -2.506 250 2HB CYS 36 2HB CYS 36 -2.083 -1.997 -1.938 251 H CYS 37 H CYS 37 -0.512 -1.732 -0.894 252 HA CYS 37 HA CYS 37 -0.958 -1.060 1.924 253 1HB CYS 37 1HB CYS 37 1.563 -1.348 0.379 254 2HB CYS 37 2HB CYS 37 1.469 0.016 1.476 255 H PHE 38 H PHE 38 -0.854 1.302 2.369 256 HA PHE 38 HA PHE 38 -1.385 2.868 -0.059 257 1HB PHE 38 1HB PHE 38 -3.405 2.507 1.350 258 2HB PHE 38 2HB PHE 38 -2.516 2.932 2.799 259 HD1 PHE 38 HD1 PHE 38 -3.972 4.279 -0.310 260 HD2 PHE 38 HD2 PHE 38 -2.238 5.207 3.450 261 HE1 PHE 38 HE1 PHE 38 -4.700 6.668 -0.564 262 HE2 PHE 38 HE2 PHE 38 -2.967 7.595 3.197 263 HZ PHE 38 HZ PHE 38 -4.189 8.297 1.193 264 H ASP 39 H ASP 39 -1.206 5.382 0.586 265 HA ASP 39 HA ASP 39 0.508 6.132 2.588 266 1HB ASP 39 1HB ASP 39 2.247 4.849 1.399 267 2HB ASP 39 2HB ASP 39 1.867 5.664 -0.105 268 H SER 40 H SER 40 0.686 8.472 2.558 269 HA SER 40 HA SER 40 -0.174 9.759 0.108 270 1HB SER 40 1HB SER 40 -1.759 11.203 1.332 271 2HB SER 40 2HB SER 40 -2.213 9.516 1.479 272 HG SER 40 HG SER 40 -0.822 11.114 3.455 273 H ARG 41 H ARG 41 2.350 9.343 1.873 274 HA ARG 41 HA ARG 41 2.866 11.812 3.070 275 1HB ARG 41 1HB ARG 41 4.059 9.345 3.132 276 2HB ARG 41 2HB ARG 41 5.166 10.170 2.052 277 1HG ARG 41 1HG ARG 41 4.748 12.053 4.091 278 2HG ARG 41 2HG ARG 41 4.764 10.529 4.957 279 1HD ARG 41 1HD ARG 41 6.899 10.423 3.029 280 2HD ARG 41 2HD ARG 41 7.002 11.982 3.824 281 HE ARG 41 HE ARG 41 6.638 10.325 5.965 282 1HH1 ARG 41 1HH1 ARG 41 8.815 10.120 3.207 283 2HH1 ARG 41 2HH1 ARG 41 10.039 9.256 4.076 284 1HH2 ARG 41 1HH2 ARG 41 8.254 9.186 7.111 285 2HH2 ARG 41 2HH2 ARG 41 9.718 8.722 6.311 286 H ILE 42 H ILE 42 3.267 10.473 -0.208 287 HA ILE 42 HA ILE 42 3.856 13.115 -1.190 288 HB ILE 42 HB ILE 42 5.789 11.732 -2.537 289 1HG1 ILE 42 1HG1 ILE 42 7.210 10.671 -0.803 290 2HG1 ILE 42 2HG1 ILE 42 5.912 10.845 0.361 291 1HG2 ILE 42 1HG2 ILE 42 5.620 14.057 -1.235 292 2HG2 ILE 42 2HG2 ILE 42 6.623 13.166 -0.066 293 3HG2 ILE 42 3HG2 ILE 42 7.172 13.351 -1.749 294 1HD1 ILE 42 1HD1 ILE 42 5.214 9.525 -2.245 295 2HD1 ILE 42 2HD1 ILE 42 6.231 8.605 -1.109 296 3HD1 ILE 42 3HD1 ILE 42 4.624 9.177 -0.602 297 HA PRO 43 HA PRO 43 1.270 11.282 -4.169 298 1HB PRO 43 1HB PRO 43 0.875 13.494 -5.725 299 2HB PRO 43 2HB PRO 43 -0.058 13.160 -4.280 300 1HG PRO 43 1HG PRO 43 2.108 15.132 -4.672 301 2HG PRO 43 2HG PRO 43 0.897 15.069 -3.408 302 1HD PRO 43 1HD PRO 43 3.653 14.309 -3.183 303 2HD PRO 43 2HD PRO 43 2.415 14.138 -1.954 304 H GLY 44 H GLY 44 4.127 13.086 -5.015 305 1HA GLY 44 1HA GLY 44 5.748 12.553 -6.498 306 2HA GLY 44 2HA GLY 44 4.429 12.583 -7.652 307 H VAL 45 H VAL 45 4.565 10.219 -4.976 308 HA VAL 45 HA VAL 45 5.373 8.164 -6.905 309 HB VAL 45 HB VAL 45 6.330 7.011 -5.188 310 1HG1 VAL 45 1HG1 VAL 45 6.871 9.752 -5.245 311 2HG1 VAL 45 2HG1 VAL 45 6.722 9.362 -3.514 312 3HG1 VAL 45 3HG1 VAL 45 7.885 8.476 -4.529 313 1HG2 VAL 45 1HG2 VAL 45 4.211 8.254 -3.452 314 2HG2 VAL 45 2HG2 VAL 45 4.617 6.539 -3.699 315 3HG2 VAL 45 3HG2 VAL 45 5.678 7.571 -2.712 316 HA PRO 46 HA PRO 46 1.528 6.206 -6.572 317 1HB PRO 46 1HB PRO 46 2.057 3.546 -6.242 318 2HB PRO 46 2HB PRO 46 2.184 4.363 -7.786 319 1HG PRO 46 1HG PRO 46 4.346 3.471 -5.978 320 2HG PRO 46 2HG PRO 46 4.439 3.891 -7.677 321 1HD PRO 46 1HD PRO 46 5.281 5.506 -5.462 322 2HD PRO 46 2HD PRO 46 5.266 5.970 -7.151 323 H TRP 47 H TRP 47 0.594 7.250 -4.813 324 HA TRP 47 HA TRP 47 1.027 6.909 -2.232 325 1HB TRP 47 1HB TRP 47 -1.472 7.239 -3.809 326 2HB TRP 47 2HB TRP 47 -1.644 6.841 -2.111 327 HD1 TRP 47 HD1 TRP 47 1.260 9.125 -3.189 328 HE1 TRP 47 HE1 TRP 47 0.941 11.581 -2.277 329 HE3 TRP 47 HE3 TRP 47 -3.463 8.423 -1.443 330 HZ2 TRP 47 HZ2 TRP 47 -1.204 12.923 -0.957 331 HZ3 TRP 47 HZ3 TRP 47 -4.599 10.357 -0.356 332 HH2 TRP 47 HH2 TRP 47 -3.546 12.548 -0.100 333 H CYS 48 H CYS 48 -1.066 4.669 -4.198 334 HA CYS 48 HA CYS 48 -0.915 2.741 -2.044 335 1HB CYS 48 1HB CYS 48 -3.026 3.375 -3.411 336 2HB CYS 48 2HB CYS 48 -2.356 2.336 -4.652 337 H PHE 49 H PHE 49 0.929 1.491 -2.025 338 HA PHE 49 HA PHE 49 1.822 0.453 -4.617 339 1HB PHE 49 1HB PHE 49 4.166 0.631 -3.465 340 2HB PHE 49 2HB PHE 49 3.444 2.141 -3.985 341 HD1 PHE 49 HD1 PHE 49 3.569 -0.065 -0.975 342 HD2 PHE 49 HD2 PHE 49 3.378 3.895 -2.486 343 HE1 PHE 49 HE1 PHE 49 3.770 0.835 1.360 344 HE2 PHE 49 HE2 PHE 49 3.579 4.796 -0.152 345 HZ PHE 49 HZ PHE 49 3.773 3.255 1.743 346 H LYS 50 H LYS 50 3.232 -1.557 -4.348 347 HA LYS 50 HA LYS 50 1.849 -3.435 -2.816 348 1HB LYS 50 1HB LYS 50 4.502 -3.496 -4.266 349 2HB LYS 50 2HB LYS 50 3.861 -4.895 -3.429 350 1HG LYS 50 1HG LYS 50 1.647 -4.091 -4.879 351 2HG LYS 50 2HG LYS 50 2.943 -3.617 -5.959 352 1HD LYS 50 1HD LYS 50 3.681 -6.194 -5.028 353 2HD LYS 50 2HD LYS 50 1.957 -6.301 -5.322 354 1HE LYS 50 1HE LYS 50 2.924 -4.864 -7.546 355 2HE LYS 50 2HE LYS 50 4.167 -6.065 -7.256 356 1HZ LYS 50 1HZ LYS 50 1.681 -7.280 -6.988 357 2HZ LYS 50 2HZ LYS 50 1.682 -6.449 -8.394 358 3HZ LYS 50 3HZ LYS 50 2.833 -7.571 -8.108 359 HA PRO 51 HA PRO 51 3.818 -3.294 1.020 360 1HB PRO 51 1HB PRO 51 3.872 -5.907 1.821 361 2HB PRO 51 2HB PRO 51 2.436 -4.906 1.910 362 1HG PRO 51 1HG PRO 51 3.079 -7.057 -0.013 363 2HG PRO 51 2HG PRO 51 1.520 -6.351 0.363 364 1HD PRO 51 1HD PRO 51 3.124 -5.835 -1.959 365 2HD PRO 51 2HD PRO 51 1.622 -5.044 -1.526 366 H LEU 52 H LEU 52 5.811 -2.686 1.553 367 HA LEU 52 HA LEU 52 7.998 -3.177 0.142 368 1HB LEU 52 1HB LEU 52 8.254 -1.671 1.846 369 2HB LEU 52 2HB LEU 52 7.537 -2.723 3.050 370 HG LEU 52 HG LEU 52 10.251 -3.258 1.826 371 1HD1 LEU 52 1HD1 LEU 52 9.775 -1.005 3.225 372 2HD1 LEU 52 2HD1 LEU 52 10.102 -2.132 4.564 373 3HD1 LEU 52 3HD1 LEU 52 11.314 -1.898 3.281 374 1HD2 LEU 52 1HD2 LEU 52 8.539 -4.705 3.623 375 2HD2 LEU 52 2HD2 LEU 52 10.118 -5.167 2.944 376 3HD2 LEU 52 3HD2 LEU 52 10.038 -4.243 4.463 377 H GLN 53 H GLN 53 9.408 -4.814 -0.339 378 HA GLN 53 HA GLN 53 8.581 -7.415 0.202 379 1HB GLN 53 1HB GLN 53 10.835 -6.083 -1.204 380 2HB GLN 53 2HB GLN 53 11.213 -7.684 -0.600 381 1HG GLN 53 1HG GLN 53 10.253 -7.658 -2.949 382 2HG GLN 53 2HG GLN 53 9.385 -8.689 -1.829 383 2HE2 GLN 53 2HE2 GLN 53 9.398 -5.156 -2.212 384 1HE2 GLN 53 1HE2 GLN 53 7.710 -4.961 -2.550 385 H GLU 54 H GLU 54 8.384 -7.272 2.611 386 HA GLU 54 HA GLU 54 10.365 -6.724 4.333 387 1HB GLU 54 1HB GLU 54 9.109 -7.880 5.952 388 2HB GLU 54 2HB GLU 54 7.909 -7.500 4.733 389 1HG GLU 54 1HG GLU 54 8.362 -9.809 3.708 390 2HG GLU 54 2HG GLU 54 9.346 -10.165 5.114 391 H ALA 55 H ALA 55 12.426 -7.456 4.598 392 HA ALA 55 HA ALA 55 12.927 -10.298 4.302 393 1HB ALA 55 1HB ALA 55 14.758 -9.966 2.726 394 2HB ALA 55 2HB ALA 55 13.261 -9.298 2.032 395 3HB ALA 55 3HB ALA 55 14.483 -8.207 2.727 396 H GLU 56 H GLU 56 13.677 -10.691 6.337 397 HA GLU 56 HA GLU 56 14.785 -8.819 7.980 398 1HB GLU 56 1HB GLU 56 14.017 -11.416 8.251 399 2HB GLU 56 2HB GLU 56 15.755 -11.638 8.270 400 1HG GLU 56 1HG GLU 56 15.981 -10.673 10.333 401 2HG GLU 56 2HG GLU 56 14.887 -9.360 9.944 402 H CYS 57 H CYS 57 16.902 -8.130 8.483 403 HA CYS 57 HA CYS 57 18.724 -8.166 6.371 404 1HB CYS 57 1HB CYS 57 18.431 -6.854 8.872 405 2HB CYS 57 2HB CYS 57 20.033 -7.564 8.850 406 H THR 58 H THR 58 20.025 -9.851 5.740 407 HA THR 58 HA THR 58 20.385 -12.090 7.528 408 HB THR 58 HB THR 58 21.154 -13.194 5.532 409 HG1 THR 58 HG1 THR 58 21.408 -10.448 4.521 410 1HG2 THR 58 1HG2 THR 58 18.741 -11.797 5.417 411 2HG2 THR 58 2HG2 THR 58 19.590 -11.213 3.966 412 3HG2 THR 58 3HG2 THR 58 19.301 -12.955 4.187 413 H PHE 59 H PHE 59 22.674 -13.118 7.582 414 HA PHE 59 HA PHE 59 24.703 -13.004 8.433 415 1HB PHE 59 1HB PHE 59 24.997 -11.891 6.122 416 2HB PHE 59 2HB PHE 59 24.802 -10.335 6.904 417 HD1 PHE 59 HD1 PHE 59 26.460 -9.916 8.934 418 HD2 PHE 59 HD2 PHE 59 27.139 -12.688 5.793 419 HE1 PHE 59 HE1 PHE 59 28.925 -9.840 9.400 420 HE2 PHE 59 HE2 PHE 59 29.604 -12.612 6.260 421 HZ PHE 59 HZ PHE 59 30.467 -11.189 8.058 No H/Q in entry = 421 Start of MODEL 39 1 H GLU 1 H GLU 1 10.350 -8.731 18.869 2 HA GLU 1 HA GLU 1 11.384 -10.698 20.313 3 1HB GLU 1 1HB GLU 1 8.468 -11.027 20.237 4 2HB GLU 1 2HB GLU 1 9.287 -12.423 19.566 5 1HG GLU 1 1HG GLU 1 10.588 -12.751 21.587 6 2HG GLU 1 2HG GLU 1 10.114 -11.190 22.228 7 H GLU 2 H GLU 2 8.953 -10.898 17.606 8 HA GLU 2 HA GLU 2 10.608 -10.639 15.528 9 1HB GLU 2 1HB GLU 2 11.189 -13.146 16.891 10 2HB GLU 2 2HB GLU 2 10.607 -13.474 15.272 11 1HG GLU 2 1HG GLU 2 12.304 -11.989 14.294 12 2HG GLU 2 2HG GLU 2 12.814 -11.456 15.884 13 H TYR 3 H TYR 3 8.206 -9.822 15.522 14 HA TYR 3 HA TYR 3 6.834 -11.298 13.561 15 1HB TYR 3 1HB TYR 3 6.225 -12.742 15.475 16 2HB TYR 3 2HB TYR 3 5.942 -11.351 16.502 17 HD1 TYR 3 HD1 TYR 3 4.674 -12.800 13.276 18 HD2 TYR 3 HD2 TYR 3 3.743 -10.722 16.898 19 HE1 TYR 3 HE1 TYR 3 2.203 -12.853 12.680 20 HE2 TYR 3 HE2 TYR 3 1.275 -10.782 16.290 21 HH TYR 3 HH TYR 3 -0.089 -12.687 14.493 22 H VAL 4 H VAL 4 6.475 -9.448 12.386 23 HA VAL 4 HA VAL 4 4.860 -7.404 13.735 24 HB VAL 4 HB VAL 4 6.111 -5.778 12.199 25 1HG1 VAL 4 1HG1 VAL 4 6.319 -6.151 14.766 26 2HG1 VAL 4 2HG1 VAL 4 7.881 -6.904 14.363 27 3HG1 VAL 4 3HG1 VAL 4 7.571 -5.207 13.924 28 1HG2 VAL 4 1HG2 VAL 4 7.224 -7.664 10.904 29 2HG2 VAL 4 2HG2 VAL 4 8.290 -6.343 11.440 30 3HG2 VAL 4 3HG2 VAL 4 8.278 -7.891 12.320 31 H GLY 5 H GLY 5 4.281 -5.786 11.577 32 1HA GLY 5 1HA GLY 5 2.645 -7.599 9.962 33 2HA GLY 5 2HA GLY 5 3.772 -6.553 9.121 34 H LEU 6 H LEU 6 0.920 -6.634 11.294 35 HA LEU 6 HA LEU 6 -0.550 -4.752 10.130 36 1HB LEU 6 1HB LEU 6 -1.755 -4.532 12.130 37 2HB LEU 6 2HB LEU 6 -1.133 -6.170 12.093 38 HG LEU 6 HG LEU 6 -0.915 -5.403 14.321 39 1HD1 LEU 6 1HD1 LEU 6 0.999 -6.682 13.502 40 2HD1 LEU 6 2HD1 LEU 6 1.806 -5.176 13.005 41 3HD1 LEU 6 3HD1 LEU 6 1.496 -5.492 14.729 42 1HD2 LEU 6 1HD2 LEU 6 -0.564 -2.850 13.134 43 2HD2 LEU 6 2HD2 LEU 6 -0.766 -3.258 14.855 44 3HD2 LEU 6 3HD2 LEU 6 0.865 -3.170 14.147 45 H SER 7 H SER 7 -0.525 -2.588 9.731 46 HA SER 7 HA SER 7 0.155 -0.530 9.673 47 1HB SER 7 1HB SER 7 0.665 0.635 11.704 48 2HB SER 7 2HB SER 7 -0.447 -0.645 12.146 49 HG SER 7 HG SER 7 2.407 -0.541 12.557 50 H ALA 8 H ALA 8 1.970 0.609 8.870 51 HA ALA 8 HA ALA 8 3.963 0.627 7.846 52 1HB ALA 8 1HB ALA 8 4.150 1.426 10.383 53 2HB ALA 8 2HB ALA 8 5.230 0.017 10.500 54 3HB ALA 8 3HB ALA 8 5.588 1.318 9.340 55 H ASN 9 H ASN 9 6.453 -0.680 8.582 56 HA ASN 9 HA ASN 9 7.561 -2.525 8.298 57 1HB ASN 9 1HB ASN 9 4.950 -4.062 8.757 58 2HB ASN 9 2HB ASN 9 6.566 -4.735 8.853 59 2HD2 ASN 9 2HD2 ASN 9 7.889 -4.295 10.582 60 1HD2 ASN 9 1HD2 ASN 9 7.335 -3.579 12.059 61 H GLN 10 H GLN 10 4.198 -3.201 7.036 62 HA GLN 10 HA GLN 10 5.275 -4.392 4.691 63 1HB GLN 10 1HB GLN 10 2.854 -4.607 4.040 64 2HB GLN 10 2HB GLN 10 3.220 -5.294 5.610 65 1HG GLN 10 1HG GLN 10 2.496 -2.436 5.781 66 2HG GLN 10 2HG GLN 10 1.223 -3.400 5.060 67 2HE2 GLN 10 2HE2 GLN 10 1.229 -2.066 7.600 68 1HE2 GLN 10 1HE2 GLN 10 0.991 -3.254 8.839 69 H CYS 11 H CYS 11 3.942 -1.234 5.672 70 HA CYS 11 HA CYS 11 4.368 -0.320 2.919 71 1HB CYS 11 1HB CYS 11 2.691 1.335 4.699 72 2HB CYS 11 2HB CYS 11 2.534 0.992 2.988 73 H ALA 12 H ALA 12 6.551 -0.630 4.680 74 HA ALA 12 HA ALA 12 6.985 2.046 5.784 75 1HB ALA 12 1HB ALA 12 9.003 -0.092 6.187 76 2HB ALA 12 2HB ALA 12 7.397 -0.429 6.876 77 3HB ALA 12 3HB ALA 12 8.282 1.038 7.358 78 H VAL 13 H VAL 13 6.883 1.762 2.932 79 HA VAL 13 HA VAL 13 9.669 1.661 2.108 80 HB VAL 13 HB VAL 13 7.642 2.384 0.126 81 1HG1 VAL 13 1HG1 VAL 13 10.072 0.791 0.378 82 2HG1 VAL 13 2HG1 VAL 13 8.809 -0.059 -0.543 83 3HG1 VAL 13 3HG1 VAL 13 9.351 1.556 -1.058 84 1HG2 VAL 13 1HG2 VAL 13 7.236 -0.018 1.886 85 2HG2 VAL 13 2HG2 VAL 13 6.038 1.099 1.188 86 3HG2 VAL 13 3HG2 VAL 13 6.830 -0.116 0.156 87 HA PRO 14 HA PRO 14 10.080 5.962 2.074 88 1HB PRO 14 1HB PRO 14 12.040 6.314 0.203 89 2HB PRO 14 2HB PRO 14 12.367 5.818 1.851 90 1HG PRO 14 1HG PRO 14 12.404 4.189 -0.615 91 2HG PRO 14 2HG PRO 14 13.124 3.838 0.943 92 1HD PRO 14 1HD PRO 14 10.713 2.711 -0.127 93 2HD PRO 14 2HD PRO 14 11.371 2.449 1.476 94 H ALA 15 H ALA 15 10.224 4.839 -1.280 95 HA ALA 15 HA ALA 15 7.884 5.698 -2.189 96 1HB ALA 15 1HB ALA 15 9.543 8.025 -1.429 97 2HB ALA 15 2HB ALA 15 7.787 7.909 -1.690 98 3HB ALA 15 3HB ALA 15 8.881 8.104 -3.079 99 H LYS 16 H LYS 16 11.362 5.434 -2.512 100 HA LYS 16 HA LYS 16 11.169 5.368 -5.416 101 1HB LYS 16 1HB LYS 16 13.588 5.363 -5.387 102 2HB LYS 16 2HB LYS 16 12.987 6.657 -4.370 103 1HG LYS 16 1HG LYS 16 14.549 5.754 -2.913 104 2HG LYS 16 2HG LYS 16 13.161 4.788 -2.453 105 1HD LYS 16 1HD LYS 16 14.084 2.864 -3.265 106 2HD LYS 16 2HD LYS 16 14.588 3.630 -4.758 107 1HE LYS 16 1HE LYS 16 16.680 4.236 -3.916 108 2HE LYS 16 2HE LYS 16 16.100 4.385 -2.269 109 1HZ LYS 16 1HZ LYS 16 16.250 1.789 -3.617 110 2HZ LYS 16 2HZ LYS 16 17.515 2.410 -2.790 111 3HZ LYS 16 3HZ LYS 16 16.114 2.084 -2.016 112 H ASP 17 H ASP 17 10.333 3.322 -3.019 113 HA ASP 17 HA ASP 17 11.405 1.034 -4.477 114 1HB ASP 17 1HB ASP 17 11.315 1.666 -1.615 115 2HB ASP 17 2HB ASP 17 10.482 0.159 -1.937 116 H ARG 18 H ARG 18 8.790 2.911 -4.373 117 HA ARG 18 HA ARG 18 6.771 1.098 -3.603 118 1HB ARG 18 1HB ARG 18 6.389 3.536 -5.394 119 2HB ARG 18 2HB ARG 18 5.229 2.832 -4.286 120 1HG ARG 18 1HG ARG 18 7.843 4.186 -3.466 121 2HG ARG 18 2HG ARG 18 6.255 4.921 -3.372 122 1HD ARG 18 1HD ARG 18 5.560 2.948 -1.862 123 2HD ARG 18 2HD ARG 18 7.252 2.496 -1.810 124 HE ARG 18 HE ARG 18 7.584 4.204 -0.264 125 1HH1 ARG 18 1HH1 ARG 18 4.790 5.026 -2.239 126 2HH1 ARG 18 2HH1 ARG 18 4.440 6.481 -1.366 127 1HH2 ARG 18 1HH2 ARG 18 7.123 6.123 0.888 128 2HH2 ARG 18 2HH2 ARG 18 5.777 7.109 0.424 129 H VAL 19 H VAL 19 5.885 -0.537 -4.839 130 HA VAL 19 HA VAL 19 6.720 -0.715 -7.609 131 HB VAL 19 HB VAL 19 5.064 -2.660 -6.003 132 1HG1 VAL 19 1HG1 VAL 19 5.189 -2.947 -8.485 133 2HG1 VAL 19 2HG1 VAL 19 6.953 -3.126 -8.333 134 3HG1 VAL 19 3HG1 VAL 19 5.869 -4.311 -7.566 135 1HG2 VAL 19 1HG2 VAL 19 8.048 -2.206 -6.009 136 2HG2 VAL 19 2HG2 VAL 19 6.947 -2.435 -4.630 137 3HG2 VAL 19 3HG2 VAL 19 7.358 -3.813 -5.678 138 H ASP 20 H ASP 20 4.197 0.690 -5.830 139 HA ASP 20 HA ASP 20 2.261 1.509 -6.355 140 1HB ASP 20 1HB ASP 20 3.186 2.610 -8.253 141 2HB ASP 20 2HB ASP 20 3.415 1.110 -9.129 142 H CYS 21 H CYS 21 0.426 0.294 -5.875 143 HA CYS 21 HA CYS 21 0.176 -2.338 -6.989 144 1HB CYS 21 1HB CYS 21 -0.459 -1.304 -4.577 145 2HB CYS 21 2HB CYS 21 -2.019 -1.177 -5.367 146 H GLY 22 H GLY 22 -0.989 0.949 -7.519 147 1HA GLY 22 1HA GLY 22 -2.252 0.220 -9.970 148 2HA GLY 22 2HA GLY 22 -2.185 1.808 -9.232 149 H TYR 23 H TYR 23 -3.826 2.475 -7.713 150 HA TYR 23 HA TYR 23 -6.267 0.880 -7.978 151 1HB TYR 23 1HB TYR 23 -4.699 1.816 -5.550 152 2HB TYR 23 2HB TYR 23 -6.444 1.915 -5.431 153 HD1 TYR 23 HD1 TYR 23 -7.743 -0.307 -6.111 154 HD2 TYR 23 HD2 TYR 23 -3.641 -0.154 -4.905 155 HE1 TYR 23 HE1 TYR 23 -7.832 -2.766 -5.472 156 HE2 TYR 23 HE2 TYR 23 -3.743 -2.614 -4.270 157 HH TYR 23 HH TYR 23 -6.347 -4.608 -5.201 158 HA PRO 24 HA PRO 24 -7.984 4.780 -8.742 159 1HB PRO 24 1HB PRO 24 -10.638 4.250 -8.367 160 2HB PRO 24 2HB PRO 24 -9.780 3.850 -9.841 161 1HG PRO 24 1HG PRO 24 -10.665 2.053 -7.666 162 2HG PRO 24 2HG PRO 24 -10.201 1.646 -9.307 163 1HD PRO 24 1HD PRO 24 -8.621 1.293 -6.939 164 2HD PRO 24 2HD PRO 24 -8.116 0.994 -8.590 165 H HIS 25 H HIS 25 -10.127 3.601 -6.208 166 HA HIS 25 HA HIS 25 -9.719 6.134 -4.874 167 1HB HIS 25 1HB HIS 25 -11.642 5.581 -3.581 168 2HB HIS 25 2HB HIS 25 -11.994 5.200 -5.255 169 HD1 HIS 25 HD1 HIS 25 -13.642 3.862 -3.041 170 HD2 HIS 25 HD2 HIS 25 -10.167 2.179 -4.682 171 HE1 HIS 25 HE1 HIS 25 -13.792 1.351 -2.613 172 HE2 HIS 25 HE2 HIS 25 -11.656 0.365 -3.691 173 H VAL 26 H VAL 26 -7.519 5.879 -4.169 174 HA VAL 26 HA VAL 26 -7.052 3.682 -2.308 175 HB VAL 26 HB VAL 26 -4.704 4.465 -2.435 176 1HG1 VAL 26 1HG1 VAL 26 -6.090 3.829 -5.060 177 2HG1 VAL 26 2HG1 VAL 26 -4.330 3.756 -4.805 178 3HG1 VAL 26 3HG1 VAL 26 -5.407 2.674 -3.891 179 1HG2 VAL 26 1HG2 VAL 26 -5.759 6.844 -3.327 180 2HG2 VAL 26 2HG2 VAL 26 -4.048 6.365 -3.444 181 3HG2 VAL 26 3HG2 VAL 26 -5.139 6.119 -4.830 182 H THR 27 H THR 27 -6.661 3.988 -0.110 183 HA THR 27 HA THR 27 -6.457 6.683 0.917 184 HB THR 27 HB THR 27 -8.541 6.728 2.036 185 HG1 THR 27 HG1 THR 27 -8.162 3.873 1.674 186 1HG2 THR 27 1HG2 THR 27 -9.101 4.978 -0.417 187 2HG2 THR 27 2HG2 THR 27 -10.325 5.892 0.496 188 3HG2 THR 27 3HG2 THR 27 -9.061 6.757 -0.412 189 HA PRO 28 HA PRO 28 -4.379 4.698 4.111 190 1HB PRO 28 1HB PRO 28 -5.112 5.990 6.405 191 2HB PRO 28 2HB PRO 28 -3.964 6.651 5.258 192 1HG PRO 28 1HG PRO 28 -6.780 7.425 5.716 193 2HG PRO 28 2HG PRO 28 -5.513 8.323 4.905 194 1HD PRO 28 1HD PRO 28 -7.666 6.891 3.664 195 2HD PRO 28 2HD PRO 28 -6.334 7.692 2.853 196 H LYS 29 H LYS 29 -6.711 3.312 3.283 197 HA LYS 29 HA LYS 29 -6.788 1.396 5.287 198 1HB LYS 29 1HB LYS 29 -8.103 3.413 6.338 199 2HB LYS 29 2HB LYS 29 -9.404 2.876 5.295 200 1HG LYS 29 1HG LYS 29 -7.940 0.853 7.013 201 2HG LYS 29 2HG LYS 29 -9.165 1.874 7.739 202 1HD LYS 29 1HD LYS 29 -10.531 1.064 5.517 203 2HD LYS 29 2HD LYS 29 -9.471 -0.317 5.715 204 1HE LYS 29 1HE LYS 29 -10.988 -1.076 7.238 205 2HE LYS 29 2HE LYS 29 -10.326 0.126 8.328 206 1HZ LYS 29 1HZ LYS 29 -12.529 0.660 6.459 207 2HZ LYS 29 2HZ LYS 29 -12.735 0.274 8.033 208 3HZ LYS 29 3HZ LYS 29 -11.976 1.662 7.625 209 H GLU 30 H GLU 30 -8.944 3.058 2.881 210 HA GLU 30 HA GLU 30 -10.094 0.705 1.985 211 1HB GLU 30 1HB GLU 30 -11.075 2.920 1.566 212 2HB GLU 30 2HB GLU 30 -9.702 3.384 0.581 213 1HG GLU 30 1HG GLU 30 -10.471 2.246 -1.250 214 2HG GLU 30 2HG GLU 30 -10.932 0.844 -0.306 215 H CYS 31 H CYS 31 -7.053 2.369 1.156 216 HA CYS 31 HA CYS 31 -6.619 0.820 -1.194 217 1HB CYS 31 1HB CYS 31 -5.558 2.844 -1.333 218 2HB CYS 31 2HB CYS 31 -5.097 2.860 0.358 219 H ASN 32 H ASN 32 -5.751 0.729 2.288 220 HA ASN 32 HA ASN 32 -3.968 -1.457 1.898 221 1HB ASN 32 1HB ASN 32 -5.143 -0.608 4.575 222 2HB ASN 32 2HB ASN 32 -3.562 -1.297 4.260 223 2HD2 ASN 32 2HD2 ASN 32 -2.062 0.120 4.694 224 1HD2 ASN 32 1HD2 ASN 32 -2.035 1.794 4.251 225 H ASN 33 H ASN 33 -7.322 -1.067 1.894 226 HA ASN 33 HA ASN 33 -7.822 -3.554 3.293 227 1HB ASN 33 1HB ASN 33 -9.273 -1.559 3.792 228 2HB ASN 33 2HB ASN 33 -9.759 -1.493 2.110 229 2HD2 ASN 33 2HD2 ASN 33 -11.832 -1.630 3.471 230 1HD2 ASN 33 1HD2 ASN 33 -12.530 -3.204 3.661 231 H ARG 34 H ARG 34 -8.030 -1.877 0.117 232 HA ARG 34 HA ARG 34 -9.518 -3.727 -1.237 233 1HB ARG 34 1HB ARG 34 -8.342 -1.348 -1.877 234 2HB ARG 34 2HB ARG 34 -7.229 -2.427 -2.695 235 1HG ARG 34 1HG ARG 34 -8.997 -1.810 -4.262 236 2HG ARG 34 2HG ARG 34 -9.171 -3.510 -3.872 237 1HD ARG 34 1HD ARG 34 -10.976 -3.021 -2.273 238 2HD ARG 34 2HD ARG 34 -10.726 -1.296 -2.451 239 HE ARG 34 HE ARG 34 -11.968 -1.350 -4.430 240 1HH1 ARG 34 1HH1 ARG 34 -10.879 -4.611 -3.679 241 2HH1 ARG 34 2HH1 ARG 34 -11.789 -5.346 -4.956 242 1HH2 ARG 34 1HH2 ARG 34 -13.169 -2.320 -6.115 243 2HH2 ARG 34 2HH2 ARG 34 -13.101 -4.034 -6.351 244 H GLY 35 H GLY 35 -6.177 -3.821 -0.113 245 1HA GLY 35 1HA GLY 35 -5.757 -6.343 -1.605 246 2HA GLY 35 2HA GLY 35 -5.305 -6.114 0.072 247 H CYS 36 H CYS 36 -3.777 -4.167 0.520 248 HA CYS 36 HA CYS 36 -1.411 -4.546 -0.716 249 1HB CYS 36 1HB CYS 36 -3.074 -3.202 -2.535 250 2HB CYS 36 2HB CYS 36 -2.001 -1.970 -1.900 251 H CYS 37 H CYS 37 -0.495 -1.724 -0.762 252 HA CYS 37 HA CYS 37 -1.074 -1.027 2.026 253 1HB CYS 37 1HB CYS 37 1.509 -1.293 0.575 254 2HB CYS 37 2HB CYS 37 1.362 0.046 1.696 255 H PHE 38 H PHE 38 -0.978 1.339 2.469 256 HA PHE 38 HA PHE 38 -1.444 2.891 0.019 257 1HB PHE 38 1HB PHE 38 -3.489 2.567 1.393 258 2HB PHE 38 2HB PHE 38 -2.619 2.976 2.858 259 HD1 PHE 38 HD1 PHE 38 -4.031 4.344 -0.259 260 HD2 PHE 38 HD2 PHE 38 -2.296 5.252 3.506 261 HE1 PHE 38 HE1 PHE 38 -4.724 6.742 -0.518 262 HE2 PHE 38 HE2 PHE 38 -2.989 7.650 3.247 263 HZ PHE 38 HZ PHE 38 -4.194 8.367 1.238 264 H ASP 39 H ASP 39 -1.243 5.405 0.623 265 HA ASP 39 HA ASP 39 0.448 6.161 2.649 266 1HB ASP 39 1HB ASP 39 2.194 4.863 1.497 267 2HB ASP 39 2HB ASP 39 1.830 5.652 -0.025 268 H SER 40 H SER 40 0.568 8.490 2.634 269 HA SER 40 HA SER 40 -0.256 9.763 0.157 270 1HB SER 40 1HB SER 40 -1.801 11.250 1.401 271 2HB SER 40 2HB SER 40 -2.287 9.571 1.532 272 HG SER 40 HG SER 40 -0.635 10.843 3.531 273 H ARG 41 H ARG 41 2.282 9.341 1.903 274 HA ARG 41 HA ARG 41 2.855 11.773 3.109 275 1HB ARG 41 1HB ARG 41 4.053 9.346 3.105 276 2HB ARG 41 2HB ARG 41 5.069 10.113 1.900 277 1HG ARG 41 1HG ARG 41 5.965 11.649 3.414 278 2HG ARG 41 2HG ARG 41 4.526 11.674 4.413 279 1HD ARG 41 1HD ARG 41 5.358 10.058 5.782 280 2HD ARG 41 2HD ARG 41 5.678 8.993 4.429 281 HE ARG 41 HE ARG 41 7.609 11.196 4.706 282 1HH1 ARG 41 1HH1 ARG 41 6.829 7.877 5.580 283 2HH1 ARG 41 2HH1 ARG 41 8.469 7.453 5.943 284 1HH2 ARG 41 1HH2 ARG 41 9.772 10.636 5.184 285 2HH2 ARG 41 2HH2 ARG 41 10.154 9.033 5.716 286 H ILE 42 H ILE 42 3.184 10.529 -0.228 287 HA ILE 42 HA ILE 42 3.619 13.209 -1.168 288 HB ILE 42 HB ILE 42 5.620 12.007 -2.563 289 1HG1 ILE 42 1HG1 ILE 42 7.121 10.957 -0.881 290 2HG1 ILE 42 2HG1 ILE 42 5.812 10.979 0.284 291 1HG2 ILE 42 1HG2 ILE 42 5.681 13.730 -0.082 292 2HG2 ILE 42 2HG2 ILE 42 7.142 13.325 -1.014 293 3HG2 ILE 42 3HG2 ILE 42 5.815 14.226 -1.786 294 1HD1 ILE 42 1HD1 ILE 42 5.456 9.682 -2.442 295 2HD1 ILE 42 2HD1 ILE 42 6.168 8.796 -1.073 296 3HD1 ILE 42 3HD1 ILE 42 4.505 9.421 -0.960 297 HA PRO 43 HA PRO 43 1.158 11.327 -4.205 298 1HB PRO 43 1HB PRO 43 0.822 13.489 -5.842 299 2HB PRO 43 2HB PRO 43 -0.148 13.212 -4.410 300 1HG PRO 43 1HG PRO 43 2.048 15.150 -4.815 301 2HG PRO 43 2HG PRO 43 0.807 15.140 -3.578 302 1HD PRO 43 1HD PRO 43 3.549 14.362 -3.263 303 2HD PRO 43 2HD PRO 43 2.281 14.243 -2.059 304 H GLY 44 H GLY 44 4.056 13.068 -5.038 305 1HA GLY 44 1HA GLY 44 5.711 12.449 -6.451 306 2HA GLY 44 2HA GLY 44 4.428 12.500 -7.644 307 H VAL 45 H VAL 45 4.703 10.193 -4.884 308 HA VAL 45 HA VAL 45 5.398 8.083 -6.778 309 HB VAL 45 HB VAL 45 6.294 6.940 -5.017 310 1HG1 VAL 45 1HG1 VAL 45 6.611 9.864 -4.745 311 2HG1 VAL 45 2HG1 VAL 45 7.074 8.925 -3.306 312 3HG1 VAL 45 3HG1 VAL 45 7.837 8.580 -4.877 313 1HG2 VAL 45 1HG2 VAL 45 4.202 8.300 -3.333 314 2HG2 VAL 45 2HG2 VAL 45 4.535 6.564 -3.546 315 3HG2 VAL 45 3HG2 VAL 45 5.633 7.568 -2.568 316 HA PRO 46 HA PRO 46 1.511 6.205 -6.492 317 1HB PRO 46 1HB PRO 46 1.996 3.535 -6.164 318 2HB PRO 46 2HB PRO 46 2.148 4.355 -7.706 319 1HG PRO 46 1HG PRO 46 4.281 3.424 -5.882 320 2HG PRO 46 2HG PRO 46 4.395 3.847 -7.579 321 1HD PRO 46 1HD PRO 46 5.244 5.443 -5.353 322 2HD PRO 46 2HD PRO 46 5.250 5.912 -7.041 323 H TRP 47 H TRP 47 0.567 7.250 -4.743 324 HA TRP 47 HA TRP 47 0.966 6.922 -2.161 325 1HB TRP 47 1HB TRP 47 -1.526 7.213 -3.761 326 2HB TRP 47 2HB TRP 47 -1.701 6.838 -2.058 327 HD1 TRP 47 HD1 TRP 47 1.176 9.140 -3.185 328 HE1 TRP 47 HE1 TRP 47 0.836 11.602 -2.301 329 HE3 TRP 47 HE3 TRP 47 -3.521 8.403 -1.383 330 HZ2 TRP 47 HZ2 TRP 47 -1.312 12.936 -0.976 331 HZ3 TRP 47 HZ3 TRP 47 -4.669 10.337 -0.308 332 HH2 TRP 47 HH2 TRP 47 -3.640 12.543 -0.090 333 H CYS 48 H CYS 48 -1.030 4.632 -4.166 334 HA CYS 48 HA CYS 48 -0.897 2.724 -1.985 335 1HB CYS 48 1HB CYS 48 -3.005 3.338 -3.380 336 2HB CYS 48 2HB CYS 48 -2.321 2.275 -4.593 337 H PHE 49 H PHE 49 0.893 1.408 -1.954 338 HA PHE 49 HA PHE 49 1.829 0.400 -4.539 339 1HB PHE 49 1HB PHE 49 4.167 0.590 -3.372 340 2HB PHE 49 2HB PHE 49 3.444 2.093 -3.909 341 HD1 PHE 49 HD1 PHE 49 3.580 -0.090 -0.883 342 HD2 PHE 49 HD2 PHE 49 3.337 3.858 -2.421 343 HE1 PHE 49 HE1 PHE 49 3.763 0.829 1.446 344 HE2 PHE 49 HE2 PHE 49 3.520 4.776 -0.093 345 HZ PHE 49 HZ PHE 49 3.731 3.251 1.813 346 H LYS 50 H LYS 50 3.275 -1.593 -4.239 347 HA LYS 50 HA LYS 50 1.882 -3.464 -2.682 348 1HB LYS 50 1HB LYS 50 4.469 -3.533 -4.238 349 2HB LYS 50 2HB LYS 50 3.910 -4.921 -3.327 350 1HG LYS 50 1HG LYS 50 1.603 -4.178 -4.686 351 2HG LYS 50 2HG LYS 50 2.846 -3.765 -5.849 352 1HD LYS 50 1HD LYS 50 3.616 -6.299 -4.816 353 2HD LYS 50 2HD LYS 50 1.881 -6.407 -5.042 354 1HE LYS 50 1HE LYS 50 2.876 -5.066 -7.356 355 2HE LYS 50 2HE LYS 50 3.992 -6.383 -7.057 356 1HZ LYS 50 1HZ LYS 50 1.075 -6.714 -7.144 357 2HZ LYS 50 2HZ LYS 50 2.065 -6.994 -8.412 358 3HZ LYS 50 3HZ LYS 50 2.190 -7.905 -7.062 359 HA PRO 51 HA PRO 51 3.956 -3.317 1.099 360 1HB PRO 51 1HB PRO 51 4.027 -5.926 1.908 361 2HB PRO 51 2HB PRO 51 2.596 -4.923 2.032 362 1HG PRO 51 1HG PRO 51 3.183 -7.083 0.101 363 2HG PRO 51 2HG PRO 51 1.636 -6.372 0.516 364 1HD PRO 51 1HD PRO 51 3.178 -5.869 -1.850 365 2HD PRO 51 2HD PRO 51 1.689 -5.073 -1.380 366 H LEU 52 H LEU 52 5.964 -2.674 1.514 367 HA LEU 52 HA LEU 52 8.104 -3.251 0.041 368 1HB LEU 52 1HB LEU 52 8.395 -1.625 1.633 369 2HB LEU 52 2HB LEU 52 7.753 -2.608 2.933 370 HG LEU 52 HG LEU 52 10.414 -3.185 1.616 371 1HD1 LEU 52 1HD1 LEU 52 9.870 -1.481 4.062 372 2HD1 LEU 52 2HD1 LEU 52 11.473 -2.040 3.527 373 3HD1 LEU 52 3HD1 LEU 52 10.529 -0.931 2.503 374 1HD2 LEU 52 1HD2 LEU 52 8.824 -4.613 3.469 375 2HD2 LEU 52 2HD2 LEU 52 10.482 -4.970 2.927 376 3HD2 LEU 52 3HD2 LEU 52 10.215 -3.963 4.370 377 H GLN 53 H GLN 53 9.650 -4.857 -0.227 378 HA GLN 53 HA GLN 53 8.820 -7.442 0.318 379 1HB GLN 53 1HB GLN 53 11.173 -8.051 -0.439 380 2HB GLN 53 2HB GLN 53 10.264 -7.054 -1.557 381 1HG GLN 53 1HG GLN 53 11.861 -5.538 0.459 382 2HG GLN 53 2HG GLN 53 12.810 -6.474 -0.679 383 2HE2 GLN 53 2HE2 GLN 53 11.453 -3.556 -0.118 384 1HE2 GLN 53 1HE2 GLN 53 11.281 -2.937 -1.726 385 H GLU 54 H GLU 54 8.358 -7.396 2.652 386 HA GLU 54 HA GLU 54 10.170 -6.743 4.574 387 1HB GLU 54 1HB GLU 54 8.771 -7.953 6.100 388 2HB GLU 54 2HB GLU 54 7.708 -7.335 4.851 389 1HG GLU 54 1HG GLU 54 8.264 -9.703 3.696 390 2HG GLU 54 2HG GLU 54 8.605 -10.171 5.351 391 H ALA 55 H ALA 55 12.255 -7.450 4.754 392 HA ALA 55 HA ALA 55 12.680 -10.322 4.841 393 1HB ALA 55 1HB ALA 55 14.584 -10.170 3.271 394 2HB ALA 55 2HB ALA 55 13.054 -9.722 2.479 395 3HB ALA 55 3HB ALA 55 14.202 -8.456 2.976 396 H GLU 56 H GLU 56 14.416 -7.122 4.797 397 HA GLU 56 HA GLU 56 16.003 -8.086 7.005 398 1HB GLU 56 1HB GLU 56 16.543 -6.455 4.787 399 2HB GLU 56 2HB GLU 56 16.500 -5.322 6.122 400 1HG GLU 56 1HG GLU 56 18.040 -7.003 7.381 401 2HG GLU 56 2HG GLU 56 18.266 -7.785 5.829 402 H CYS 57 H CYS 57 16.435 -6.461 8.861 403 HA CYS 57 HA CYS 57 15.697 -5.280 10.556 404 1HB CYS 57 1HB CYS 57 14.152 -4.018 8.334 405 2HB CYS 57 2HB CYS 57 13.705 -3.624 9.982 406 H THR 58 H THR 58 14.734 -6.565 12.098 407 HA THR 58 HA THR 58 13.198 -7.737 13.196 408 HB THR 58 HB THR 58 11.301 -6.133 11.401 409 HG1 THR 58 HG1 THR 58 11.345 -4.823 13.393 410 1HG2 THR 58 1HG2 THR 58 10.228 -8.142 12.597 411 2HG2 THR 58 2HG2 THR 58 10.761 -7.409 14.129 412 3HG2 THR 58 3HG2 THR 58 9.596 -6.553 13.090 413 H PHE 59 H PHE 59 13.220 -9.877 12.979 414 HA PHE 59 HA PHE 59 13.015 -11.887 12.095 415 1HB PHE 59 1HB PHE 59 10.600 -11.228 12.182 416 2HB PHE 59 2HB PHE 59 10.746 -10.397 10.647 417 HD1 PHE 59 HD1 PHE 59 11.202 -13.799 12.112 418 HD2 PHE 59 HD2 PHE 59 10.092 -11.499 8.723 419 HE1 PHE 59 HE1 PHE 59 10.521 -15.896 10.912 420 HE2 PHE 59 HE2 PHE 59 9.410 -13.596 7.523 421 HZ PHE 59 HZ PHE 59 9.633 -15.769 8.632 No H/Q in entry = 421 Start of MODEL 40 1 H GLU 1 H GLU 1 11.698 -9.706 17.219 2 HA GLU 1 HA GLU 1 10.524 -9.227 15.366 3 1HB GLU 1 1HB GLU 1 13.198 -9.489 14.104 4 2HB GLU 1 2HB GLU 1 11.875 -10.003 13.077 5 1HG GLU 1 1HG GLU 1 10.763 -7.715 13.962 6 2HG GLU 1 2HG GLU 1 12.438 -7.272 14.227 7 H GLU 2 H GLU 2 8.985 -10.635 14.471 8 HA GLU 2 HA GLU 2 9.735 -13.300 13.838 9 1HB GLU 2 1HB GLU 2 8.212 -14.391 15.483 10 2HB GLU 2 2HB GLU 2 9.549 -13.569 16.261 11 1HG GLU 2 1HG GLU 2 7.881 -11.516 16.388 12 2HG GLU 2 2HG GLU 2 6.640 -12.724 16.119 13 H TYR 3 H TYR 3 7.035 -11.030 14.668 14 HA TYR 3 HA TYR 3 5.841 -11.632 12.089 15 1HB TYR 3 1HB TYR 3 4.725 -13.239 13.559 16 2HB TYR 3 2HB TYR 3 4.699 -12.104 14.895 17 HD1 TYR 3 HD1 TYR 3 3.113 -13.001 11.677 18 HD2 TYR 3 HD2 TYR 3 2.929 -10.478 15.128 19 HE1 TYR 3 HE1 TYR 3 0.745 -12.314 11.058 20 HE2 TYR 3 HE2 TYR 3 0.561 -9.800 14.496 21 HH TYR 3 HH TYR 3 -0.846 -9.703 12.639 22 H VAL 4 H VAL 4 6.261 -9.495 11.429 23 HA VAL 4 HA VAL 4 4.822 -7.466 12.996 24 HB VAL 4 HB VAL 4 6.586 -5.983 11.665 25 1HG1 VAL 4 1HG1 VAL 4 6.513 -7.220 14.335 26 2HG1 VAL 4 2HG1 VAL 4 8.132 -6.678 13.833 27 3HG1 VAL 4 3HG1 VAL 4 6.776 -5.525 13.860 28 1HG2 VAL 4 1HG2 VAL 4 7.622 -7.918 10.529 29 2HG2 VAL 4 2HG2 VAL 4 8.780 -7.046 11.562 30 3HG2 VAL 4 3HG2 VAL 4 8.082 -8.589 12.112 31 H GLY 5 H GLY 5 2.855 -7.564 11.896 32 1HA GLY 5 1HA GLY 5 1.898 -8.045 9.626 33 2HA GLY 5 2HA GLY 5 3.009 -6.826 9.037 34 H LEU 6 H LEU 6 2.281 -5.770 12.104 35 HA LEU 6 HA LEU 6 -0.052 -4.266 11.139 36 1HB LEU 6 1HB LEU 6 -0.482 -4.038 13.676 37 2HB LEU 6 2HB LEU 6 -0.959 -5.495 12.827 38 HG LEU 6 HG LEU 6 1.733 -5.449 14.133 39 1HD1 LEU 6 1HD1 LEU 6 -0.720 -4.921 15.563 40 2HD1 LEU 6 2HD1 LEU 6 -0.018 -6.475 16.072 41 3HD1 LEU 6 3HD1 LEU 6 0.955 -4.987 16.160 42 1HD2 LEU 6 1HD2 LEU 6 -0.388 -7.567 13.700 43 2HD2 LEU 6 2HD2 LEU 6 1.159 -7.390 12.838 44 3HD2 LEU 6 3HD2 LEU 6 1.146 -7.829 14.563 45 H SER 7 H SER 7 2.379 -3.354 10.309 46 HA SER 7 HA SER 7 2.500 -0.896 11.748 47 1HB SER 7 1HB SER 7 4.925 -0.962 12.180 48 2HB SER 7 2HB SER 7 4.113 -2.257 13.037 49 HG SER 7 HG SER 7 4.709 -3.397 10.759 50 H ALA 8 H ALA 8 4.819 0.202 10.584 51 HA ALA 8 HA ALA 8 3.935 0.480 7.877 52 1HB ALA 8 1HB ALA 8 4.874 2.275 9.489 53 2HB ALA 8 2HB ALA 8 5.451 2.294 7.805 54 3HB ALA 8 3HB ALA 8 6.474 1.607 9.089 55 H ASN 9 H ASN 9 6.190 -1.528 9.633 56 HA ASN 9 HA ASN 9 8.248 -1.959 8.070 57 1HB ASN 9 1HB ASN 9 7.009 -3.396 10.078 58 2HB ASN 9 2HB ASN 9 6.789 -4.494 8.731 59 2HD2 ASN 9 2HD2 ASN 9 8.276 -5.342 10.755 60 1HD2 ASN 9 1HD2 ASN 9 9.963 -5.394 10.369 61 H GLN 10 H GLN 10 4.843 -2.674 7.327 62 HA GLN 10 HA GLN 10 5.554 -4.227 5.016 63 1HB GLN 10 1HB GLN 10 3.444 -4.400 6.701 64 2HB GLN 10 2HB GLN 10 2.731 -3.330 5.511 65 1HG GLN 10 1HG GLN 10 2.315 -5.138 4.209 66 2HG GLN 10 2HG GLN 10 4.043 -5.322 3.981 67 2HE2 GLN 10 2HE2 GLN 10 2.010 -5.680 6.875 68 1HE2 GLN 10 1HE2 GLN 10 2.397 -7.333 7.217 69 H CYS 11 H CYS 11 4.016 -1.054 5.830 70 HA CYS 11 HA CYS 11 4.355 -0.323 3.014 71 1HB CYS 11 1HB CYS 11 2.642 1.300 4.830 72 2HB CYS 11 2HB CYS 11 2.501 1.012 3.108 73 H ALA 12 H ALA 12 6.665 -0.350 4.540 74 HA ALA 12 HA ALA 12 7.010 2.468 5.306 75 1HB ALA 12 1HB ALA 12 9.034 1.429 6.575 76 2HB ALA 12 2HB ALA 12 7.402 1.197 7.247 77 3HB ALA 12 3HB ALA 12 8.187 -0.119 6.342 78 H VAL 13 H VAL 13 7.019 2.083 2.628 79 HA VAL 13 HA VAL 13 9.737 1.470 1.811 80 HB VAL 13 HB VAL 13 7.778 2.482 -0.147 81 1HG1 VAL 13 1HG1 VAL 13 9.998 0.566 0.034 82 2HG1 VAL 13 2HG1 VAL 13 8.624 -0.024 -0.932 83 3HG1 VAL 13 3HG1 VAL 13 9.411 1.517 -1.351 84 1HG2 VAL 13 1HG2 VAL 13 7.213 0.058 1.559 85 2HG2 VAL 13 2HG2 VAL 13 6.113 1.365 1.059 86 3HG2 VAL 13 3HG2 VAL 13 6.648 0.150 -0.127 87 HA PRO 14 HA PRO 14 10.918 5.624 1.655 88 1HB PRO 14 1HB PRO 14 12.948 5.537 -0.173 89 2HB PRO 14 2HB PRO 14 13.145 5.061 1.502 90 1HG PRO 14 1HG PRO 14 12.937 3.349 -0.899 91 2HG PRO 14 2HG PRO 14 13.549 2.940 0.691 92 1HD PRO 14 1HD PRO 14 10.996 2.223 -0.403 93 2HD PRO 14 2HD PRO 14 11.562 1.914 1.226 94 H ALA 15 H ALA 15 9.150 4.232 -0.666 95 HA ALA 15 HA ALA 15 7.711 5.276 -2.052 96 1HB ALA 15 1HB ALA 15 9.283 7.794 -2.332 97 2HB ALA 15 2HB ALA 15 7.532 7.555 -2.122 98 3HB ALA 15 3HB ALA 15 8.619 7.455 -0.716 99 H LYS 16 H LYS 16 11.230 5.321 -2.351 100 HA LYS 16 HA LYS 16 11.078 5.446 -5.243 101 1HB LYS 16 1HB LYS 16 13.513 5.470 -5.146 102 2HB LYS 16 2HB LYS 16 12.833 6.695 -4.093 103 1HG LYS 16 1HG LYS 16 14.286 5.793 -2.556 104 2HG LYS 16 2HG LYS 16 12.983 4.647 -2.306 105 1HD LYS 16 1HD LYS 16 14.982 3.340 -2.626 106 2HD LYS 16 2HD LYS 16 14.041 3.167 -4.095 107 1HE LYS 16 1HE LYS 16 15.556 4.357 -5.378 108 2HE LYS 16 2HE LYS 16 15.952 5.466 -4.080 109 1HZ LYS 16 1HZ LYS 16 17.005 3.345 -3.069 110 2HZ LYS 16 2HZ LYS 16 17.048 2.834 -4.620 111 3HZ LYS 16 3HZ LYS 16 17.817 4.210 -4.192 112 H ASP 17 H ASP 17 10.161 3.167 -3.164 113 HA ASP 17 HA ASP 17 11.272 1.070 -4.849 114 1HB ASP 17 1HB ASP 17 11.657 1.421 -2.030 115 2HB ASP 17 2HB ASP 17 10.551 0.074 -2.211 116 H ARG 18 H ARG 18 8.676 2.765 -4.652 117 HA ARG 18 HA ARG 18 6.724 0.982 -3.670 118 1HB ARG 18 1HB ARG 18 6.241 3.304 -5.589 119 2HB ARG 18 2HB ARG 18 5.121 2.644 -4.413 120 1HG ARG 18 1HG ARG 18 7.770 3.777 -3.471 121 2HG ARG 18 2HG ARG 18 6.459 4.870 -3.869 122 1HD ARG 18 1HD ARG 18 5.173 2.948 -2.300 123 2HD ARG 18 2HD ARG 18 6.752 3.052 -1.545 124 HE ARG 18 HE ARG 18 5.467 5.645 -2.144 125 1HH1 ARG 18 1HH1 ARG 18 6.073 3.136 0.247 126 2HH1 ARG 18 2HH1 ARG 18 5.726 4.162 1.599 127 1HH2 ARG 18 1HH2 ARG 18 5.010 6.999 -0.361 128 2HH2 ARG 18 2HH2 ARG 18 5.118 6.374 1.251 129 H VAL 19 H VAL 19 5.662 -0.661 -4.772 130 HA VAL 19 HA VAL 19 6.460 -1.105 -7.522 131 HB VAL 19 HB VAL 19 4.699 -2.818 -5.771 132 1HG1 VAL 19 1HG1 VAL 19 5.586 -3.030 -8.453 133 2HG1 VAL 19 2HG1 VAL 19 6.496 -4.239 -7.517 134 3HG1 VAL 19 3HG1 VAL 19 4.716 -4.244 -7.484 135 1HG2 VAL 19 1HG2 VAL 19 7.708 -2.551 -5.801 136 2HG2 VAL 19 2HG2 VAL 19 6.596 -2.571 -4.411 137 3HG2 VAL 19 3HG2 VAL 19 6.911 -4.068 -5.321 138 H ASP 20 H ASP 20 4.132 0.713 -5.956 139 HA ASP 20 HA ASP 20 2.090 1.367 -6.406 140 1HB ASP 20 1HB ASP 20 3.159 2.702 -8.064 141 2HB ASP 20 2HB ASP 20 3.481 1.325 -9.099 142 H CYS 21 H CYS 21 0.779 -0.496 -5.849 143 HA CYS 21 HA CYS 21 0.488 -2.697 -7.555 144 1HB CYS 21 1HB CYS 21 -1.792 -2.705 -6.043 145 2HB CYS 21 2HB CYS 21 -0.258 -3.426 -5.598 146 H GLY 22 H GLY 22 -0.655 0.565 -7.666 147 1HA GLY 22 1HA GLY 22 -2.105 0.124 -10.072 148 2HA GLY 22 2HA GLY 22 -1.946 1.624 -9.182 149 H TYR 23 H TYR 23 -3.607 2.332 -7.825 150 HA TYR 23 HA TYR 23 -6.011 0.666 -7.886 151 1HB TYR 23 1HB TYR 23 -4.399 1.813 -5.566 152 2HB TYR 23 2HB TYR 23 -6.142 1.763 -5.390 153 HD1 TYR 23 HD1 TYR 23 -7.319 -0.510 -5.647 154 HD2 TYR 23 HD2 TYR 23 -3.087 -0.110 -5.159 155 HE1 TYR 23 HE1 TYR 23 -7.168 -2.936 -4.904 156 HE2 TYR 23 HE2 TYR 23 -2.950 -2.538 -4.418 157 HH TYR 23 HH TYR 23 -5.679 -4.664 -4.700 158 HA PRO 24 HA PRO 24 -7.824 4.494 -8.787 159 1HB PRO 24 1HB PRO 24 -10.459 3.901 -8.369 160 2HB PRO 24 2HB PRO 24 -9.603 3.479 -9.839 161 1HG PRO 24 1HG PRO 24 -10.416 1.728 -7.599 162 2HG PRO 24 2HG PRO 24 -9.955 1.282 -9.230 163 1HD PRO 24 1HD PRO 24 -8.344 1.050 -6.869 164 2HD PRO 24 2HD PRO 24 -7.846 0.713 -8.515 165 H HIS 25 H HIS 25 -10.144 3.534 -6.363 166 HA HIS 25 HA HIS 25 -9.688 6.046 -5.058 167 1HB HIS 25 1HB HIS 25 -11.638 5.556 -3.803 168 2HB HIS 25 2HB HIS 25 -11.950 5.051 -5.452 169 HD1 HIS 25 HD1 HIS 25 -13.542 3.884 -3.030 170 HD2 HIS 25 HD2 HIS 25 -10.184 2.074 -4.775 171 HE1 HIS 25 HE1 HIS 25 -13.694 1.401 -2.464 172 HE2 HIS 25 HE2 HIS 25 -11.634 0.333 -3.608 173 H VAL 26 H VAL 26 -7.468 5.774 -4.357 174 HA VAL 26 HA VAL 26 -7.009 3.656 -2.420 175 HB VAL 26 HB VAL 26 -4.683 4.520 -2.496 176 1HG1 VAL 26 1HG1 VAL 26 -6.040 3.711 -5.080 177 2HG1 VAL 26 2HG1 VAL 26 -4.272 3.840 -4.912 178 3HG1 VAL 26 3HG1 VAL 26 -5.179 2.678 -3.913 179 1HG2 VAL 26 1HG2 VAL 26 -5.706 6.863 -3.360 180 2HG2 VAL 26 2HG2 VAL 26 -4.023 6.362 -3.652 181 3HG2 VAL 26 3HG2 VAL 26 -5.249 6.142 -4.923 182 H THR 27 H THR 27 -6.788 3.976 -0.219 183 HA THR 27 HA THR 27 -6.622 6.680 0.801 184 HB THR 27 HB THR 27 -8.753 6.712 1.842 185 HG1 THR 27 HG1 THR 27 -9.895 4.604 2.056 186 1HG2 THR 27 1HG2 THR 27 -9.154 5.036 -0.692 187 2HG2 THR 27 2HG2 THR 27 -10.462 5.847 0.202 188 3HG2 THR 27 3HG2 THR 27 -9.198 6.813 -0.597 189 HA PRO 28 HA PRO 28 -4.636 4.708 4.055 190 1HB PRO 28 1HB PRO 28 -5.331 6.134 6.280 191 2HB PRO 28 2HB PRO 28 -4.138 6.687 5.122 192 1HG PRO 28 1HG PRO 28 -6.918 7.617 5.507 193 2HG PRO 28 2HG PRO 28 -5.598 8.415 4.675 194 1HD PRO 28 1HD PRO 28 -7.805 7.037 3.468 195 2HD PRO 28 2HD PRO 28 -6.426 7.735 2.641 196 H LYS 29 H LYS 29 -6.992 3.377 3.254 197 HA LYS 29 HA LYS 29 -7.199 1.578 5.355 198 1HB LYS 29 1HB LYS 29 -8.458 3.698 6.260 199 2HB LYS 29 2HB LYS 29 -9.751 3.159 5.208 200 1HG LYS 29 1HG LYS 29 -8.436 1.135 7.028 201 2HG LYS 29 2HG LYS 29 -9.564 2.279 7.729 202 1HD LYS 29 1HD LYS 29 -11.395 1.368 6.637 203 2HD LYS 29 2HD LYS 29 -10.474 0.947 5.206 204 1HE LYS 29 1HE LYS 29 -9.993 -1.151 5.985 205 2HE LYS 29 2HE LYS 29 -9.603 -0.568 7.591 206 1HZ LYS 29 1HZ LYS 29 -11.992 -0.367 7.992 207 2HZ LYS 29 2HZ LYS 29 -12.304 -1.020 6.528 208 3HZ LYS 29 3HZ LYS 29 -11.547 -1.906 7.673 209 H GLU 30 H GLU 30 -8.735 3.189 2.541 210 HA GLU 30 HA GLU 30 -10.093 0.800 1.807 211 1HB GLU 30 1HB GLU 30 -10.972 3.098 1.317 212 2HB GLU 30 2HB GLU 30 -9.632 3.365 0.221 213 1HG GLU 30 1HG GLU 30 -10.719 2.284 -1.448 214 2HG GLU 30 2HG GLU 30 -10.868 0.840 -0.466 215 H CYS 31 H CYS 31 -7.069 2.511 0.943 216 HA CYS 31 HA CYS 31 -6.537 0.865 -1.304 217 1HB CYS 31 1HB CYS 31 -5.484 2.886 -1.487 218 2HB CYS 31 2HB CYS 31 -5.087 2.975 0.217 219 H ASN 32 H ASN 32 -6.056 0.738 2.203 220 HA ASN 32 HA ASN 32 -4.133 -1.383 1.953 221 1HB ASN 32 1HB ASN 32 -5.461 -0.452 4.535 222 2HB ASN 32 2HB ASN 32 -3.884 -1.194 4.347 223 2HD2 ASN 32 2HD2 ASN 32 -5.807 1.690 3.815 224 1HD2 ASN 32 1HD2 ASN 32 -4.509 2.827 3.679 225 H ASN 33 H ASN 33 -7.465 -1.048 1.701 226 HA ASN 33 HA ASN 33 -8.048 -3.479 3.165 227 1HB ASN 33 1HB ASN 33 -9.611 -1.630 3.560 228 2HB ASN 33 2HB ASN 33 -9.818 -1.365 1.840 229 2HD2 ASN 33 2HD2 ASN 33 -12.082 -1.577 2.875 230 1HD2 ASN 33 1HD2 ASN 33 -12.832 -3.135 2.759 231 H ARG 34 H ARG 34 -8.211 -1.905 -0.089 232 HA ARG 34 HA ARG 34 -9.499 -3.872 -1.450 233 1HB ARG 34 1HB ARG 34 -8.373 -1.471 -2.114 234 2HB ARG 34 2HB ARG 34 -7.186 -2.540 -2.836 235 1HG ARG 34 1HG ARG 34 -9.033 -1.912 -4.423 236 2HG ARG 34 2HG ARG 34 -8.890 -3.644 -4.193 237 1HD ARG 34 1HD ARG 34 -10.935 -3.812 -3.147 238 2HD ARG 34 2HD ARG 34 -10.719 -2.320 -2.253 239 HE ARG 34 HE ARG 34 -11.046 -1.660 -5.015 240 1HH1 ARG 34 1HH1 ARG 34 -12.909 -2.959 -2.328 241 2HH1 ARG 34 2HH1 ARG 34 -14.424 -2.372 -2.927 242 1HH2 ARG 34 1HH2 ARG 34 -13.044 -0.884 -5.807 243 2HH2 ARG 34 2HH2 ARG 34 -14.501 -1.184 -4.920 244 H GLY 35 H GLY 35 -6.250 -3.816 -0.106 245 1HA GLY 35 1HA GLY 35 -5.669 -6.391 -1.444 246 2HA GLY 35 2HA GLY 35 -5.257 -6.013 0.217 247 H CYS 36 H CYS 36 -3.779 -4.036 0.561 248 HA CYS 36 HA CYS 36 -1.413 -4.411 -0.730 249 1HB CYS 36 1HB CYS 36 -3.094 -3.161 -2.528 250 2HB CYS 36 2HB CYS 36 -2.207 -1.817 -1.836 251 H CYS 37 H CYS 37 -0.586 -1.539 -0.758 252 HA CYS 37 HA CYS 37 -1.107 -0.895 2.053 253 1HB CYS 37 1HB CYS 37 1.478 -1.142 0.588 254 2HB CYS 37 2HB CYS 37 1.331 0.146 1.768 255 H PHE 38 H PHE 38 -1.152 1.427 2.512 256 HA PHE 38 HA PHE 38 -1.506 3.024 0.073 257 1HB PHE 38 1HB PHE 38 -3.595 2.663 1.368 258 2HB PHE 38 2HB PHE 38 -2.780 3.055 2.870 259 HD1 PHE 38 HD1 PHE 38 -4.056 4.472 -0.289 260 HD2 PHE 38 HD2 PHE 38 -2.534 5.312 3.582 261 HE1 PHE 38 HE1 PHE 38 -4.757 6.870 -0.533 262 HE2 PHE 38 HE2 PHE 38 -3.235 7.710 3.338 263 HZ PHE 38 HZ PHE 38 -4.338 8.460 1.283 264 H ASP 39 H ASP 39 -1.320 5.521 0.687 265 HA ASP 39 HA ASP 39 0.319 6.231 2.797 266 1HB ASP 39 1HB ASP 39 2.138 5.077 1.692 267 2HB ASP 39 2HB ASP 39 1.702 5.740 0.130 268 H SER 40 H SER 40 0.491 8.575 2.842 269 HA SER 40 HA SER 40 -0.450 9.912 0.439 270 1HB SER 40 1HB SER 40 -1.924 11.365 1.777 271 2HB SER 40 2HB SER 40 -2.388 9.684 1.957 272 HG SER 40 HG SER 40 -1.785 9.681 4.045 273 H ARG 41 H ARG 41 2.144 9.424 2.181 274 HA ARG 41 HA ARG 41 2.820 11.813 3.357 275 1HB ARG 41 1HB ARG 41 4.004 9.376 3.171 276 2HB ARG 41 2HB ARG 41 4.963 10.212 1.966 277 1HG ARG 41 1HG ARG 41 4.728 11.960 4.245 278 2HG ARG 41 2HG ARG 41 5.163 10.372 4.845 279 1HD ARG 41 1HD ARG 41 7.257 10.436 3.888 280 2HD ARG 41 2HD ARG 41 6.675 11.187 2.416 281 HE ARG 41 HE ARG 41 7.314 13.244 3.299 282 1HH1 ARG 41 1HH1 ARG 41 6.674 11.043 5.969 283 2HH1 ARG 41 2HH1 ARG 41 7.135 12.184 7.187 284 1HH2 ARG 41 1HH2 ARG 41 7.922 14.750 4.906 285 2HH2 ARG 41 2HH2 ARG 41 7.849 14.306 6.579 286 H ILE 42 H ILE 42 3.363 10.566 -0.002 287 HA ILE 42 HA ILE 42 3.602 13.320 -0.898 288 HB ILE 42 HB ILE 42 5.561 12.122 -2.381 289 1HG1 ILE 42 1HG1 ILE 42 7.119 11.090 -0.750 290 2HG1 ILE 42 2HG1 ILE 42 5.860 11.129 0.469 291 1HG2 ILE 42 1HG2 ILE 42 5.335 14.157 -0.310 292 2HG2 ILE 42 2HG2 ILE 42 6.937 13.382 -0.327 293 3HG2 ILE 42 3HG2 ILE 42 6.300 14.141 -1.806 294 1HD1 ILE 42 1HD1 ILE 42 4.963 9.914 -2.077 295 2HD1 ILE 42 2HD1 ILE 42 6.304 9.039 -1.301 296 3HD1 ILE 42 3HD1 ILE 42 4.789 9.317 -0.409 297 HA PRO 43 HA PRO 43 1.073 11.546 -3.937 298 1HB PRO 43 1HB PRO 43 0.793 13.723 -5.567 299 2HB PRO 43 2HB PRO 43 -0.168 13.477 -4.122 300 1HG PRO 43 1HG PRO 43 2.090 15.336 -4.553 301 2HG PRO 43 2HG PRO 43 0.865 15.368 -3.299 302 1HD PRO 43 1HD PRO 43 3.582 14.492 -3.022 303 2HD PRO 43 2HD PRO 43 2.326 14.416 -1.802 304 H GLY 44 H GLY 44 3.972 13.260 -4.871 305 1HA GLY 44 1HA GLY 44 5.600 12.567 -6.290 306 2HA GLY 44 2HA GLY 44 4.298 12.656 -7.459 307 H VAL 45 H VAL 45 4.879 10.356 -4.707 308 HA VAL 45 HA VAL 45 5.403 8.232 -6.599 309 HB VAL 45 HB VAL 45 6.302 7.102 -4.849 310 1HG1 VAL 45 1HG1 VAL 45 7.044 9.683 -4.983 311 2HG1 VAL 45 2HG1 VAL 45 6.482 9.637 -3.295 312 3HG1 VAL 45 3HG1 VAL 45 7.763 8.526 -3.837 313 1HG2 VAL 45 1HG2 VAL 45 4.164 8.384 -3.145 314 2HG2 VAL 45 2HG2 VAL 45 4.449 6.660 -3.482 315 3HG2 VAL 45 3HG2 VAL 45 5.559 7.554 -2.415 316 HA PRO 46 HA PRO 46 1.482 6.419 -6.389 317 1HB PRO 46 1HB PRO 46 1.928 3.736 -6.119 318 2HB PRO 46 2HB PRO 46 2.101 4.588 -7.640 319 1HG PRO 46 1HG PRO 46 4.210 3.588 -5.826 320 2HG PRO 46 2HG PRO 46 4.340 4.047 -7.512 321 1HD PRO 46 1HD PRO 46 5.197 5.581 -5.245 322 2HD PRO 46 2HD PRO 46 5.220 6.088 -6.922 323 H TRP 47 H TRP 47 0.547 7.441 -4.619 324 HA TRP 47 HA TRP 47 0.912 7.071 -2.049 325 1HB TRP 47 1HB TRP 47 -1.560 7.379 -3.668 326 2HB TRP 47 2HB TRP 47 -1.764 6.948 -1.982 327 HD1 TRP 47 HD1 TRP 47 1.127 9.297 -2.948 328 HE1 TRP 47 HE1 TRP 47 0.744 11.731 -2.003 329 HE3 TRP 47 HE3 TRP 47 -3.628 8.490 -1.335 330 HZ2 TRP 47 HZ2 TRP 47 -1.455 13.017 -0.716 331 HZ3 TRP 47 HZ3 TRP 47 -4.822 10.387 -0.245 332 HH2 TRP 47 HH2 TRP 47 -3.812 12.590 0.074 333 H CYS 48 H CYS 48 -0.993 4.773 -4.126 334 HA CYS 48 HA CYS 48 -0.917 2.851 -1.956 335 1HB CYS 48 1HB CYS 48 -2.972 3.433 -3.438 336 2HB CYS 48 2HB CYS 48 -2.212 2.397 -4.630 337 H PHE 49 H PHE 49 0.564 1.176 -1.933 338 HA PHE 49 HA PHE 49 1.719 0.311 -4.442 339 1HB PHE 49 1HB PHE 49 4.033 0.540 -3.247 340 2HB PHE 49 2HB PHE 49 3.306 2.034 -3.806 341 HD1 PHE 49 HD1 PHE 49 3.499 -0.118 -0.767 342 HD2 PHE 49 HD2 PHE 49 3.087 3.806 -2.328 343 HE1 PHE 49 HE1 PHE 49 3.645 0.822 1.556 344 HE2 PHE 49 HE2 PHE 49 3.233 4.746 -0.005 345 HZ PHE 49 HZ PHE 49 3.510 3.242 1.909 346 H LYS 50 H LYS 50 3.140 -1.678 -4.091 347 HA LYS 50 HA LYS 50 1.734 -3.498 -2.469 348 1HB LYS 50 1HB LYS 50 4.366 -3.724 -3.956 349 2HB LYS 50 2HB LYS 50 3.561 -5.068 -3.172 350 1HG LYS 50 1HG LYS 50 1.505 -3.914 -4.682 351 2HG LYS 50 2HG LYS 50 2.904 -3.713 -5.717 352 1HD LYS 50 1HD LYS 50 3.103 -6.355 -4.660 353 2HD LYS 50 2HD LYS 50 1.418 -6.146 -5.096 354 1HE LYS 50 1HE LYS 50 2.605 -5.037 -7.304 355 2HE LYS 50 2HE LYS 50 3.844 -6.191 -6.853 356 1HZ LYS 50 1HZ LYS 50 1.017 -6.933 -7.101 357 2HZ LYS 50 2HZ LYS 50 2.073 -7.041 -8.342 358 3HZ LYS 50 3HZ LYS 50 2.302 -7.935 -6.995 359 HA PRO 51 HA PRO 51 3.912 -3.308 1.251 360 1HB PRO 51 1HB PRO 51 3.993 -5.903 2.104 361 2HB PRO 51 2HB PRO 51 2.570 -4.891 2.248 362 1HG PRO 51 1HG PRO 51 3.096 -7.087 0.340 363 2HG PRO 51 2HG PRO 51 1.564 -6.361 0.783 364 1HD PRO 51 1HD PRO 51 3.044 -5.907 -1.631 365 2HD PRO 51 2HD PRO 51 1.572 -5.095 -1.136 366 H LEU 52 H LEU 52 5.934 -2.698 1.655 367 HA LEU 52 HA LEU 52 8.039 -3.242 0.142 368 1HB LEU 52 1HB LEU 52 8.191 -1.675 1.898 369 2HB LEU 52 2HB LEU 52 7.874 -2.885 3.125 370 HG LEU 52 HG LEU 52 10.369 -2.824 1.408 371 1HD1 LEU 52 1HD1 LEU 52 9.883 -0.872 3.108 372 2HD1 LEU 52 2HD1 LEU 52 10.388 -2.086 4.308 373 3HD1 LEU 52 3HD1 LEU 52 11.496 -1.616 2.996 374 1HD2 LEU 52 1HD2 LEU 52 9.270 -4.751 3.295 375 2HD2 LEU 52 2HD2 LEU 52 10.621 -4.908 2.147 376 3HD2 LEU 52 3HD2 LEU 52 10.899 -4.203 3.758 377 H GLN 53 H GLN 53 9.438 -4.892 -0.349 378 HA GLN 53 HA GLN 53 8.626 -7.472 0.193 379 1HB GLN 53 1HB GLN 53 11.003 -8.038 -0.683 380 2HB GLN 53 2HB GLN 53 9.923 -7.172 -1.757 381 1HG GLN 53 1HG GLN 53 11.579 -5.442 0.030 382 2HG GLN 53 2HG GLN 53 12.483 -6.360 -1.157 383 2HE2 GLN 53 2HE2 GLN 53 11.293 -3.468 -0.652 384 1HE2 GLN 53 1HE2 GLN 53 10.807 -2.960 -2.235 385 H GLU 54 H GLU 54 8.338 -7.576 2.532 386 HA GLU 54 HA GLU 54 10.266 -6.979 4.361 387 1HB GLU 54 1HB GLU 54 8.994 -8.312 5.916 388 2HB GLU 54 2HB GLU 54 7.849 -7.589 4.803 389 1HG GLU 54 1HG GLU 54 7.062 -9.734 4.599 390 2HG GLU 54 2HG GLU 54 8.380 -9.912 3.458 391 H ALA 55 H ALA 55 12.371 -7.659 4.326 392 HA ALA 55 HA ALA 55 12.800 -10.546 4.042 393 1HB ALA 55 1HB ALA 55 14.990 -9.787 2.842 394 2HB ALA 55 2HB ALA 55 13.467 -9.790 1.921 395 3HB ALA 55 3HB ALA 55 14.116 -8.261 2.562 396 H GLU 56 H GLU 56 14.180 -11.408 5.565 397 HA GLU 56 HA GLU 56 14.672 -10.012 7.848 398 1HB GLU 56 1HB GLU 56 14.915 -12.615 7.076 399 2HB GLU 56 2HB GLU 56 16.612 -12.183 7.154 400 1HG GLU 56 1HG GLU 56 16.528 -11.696 9.465 401 2HG GLU 56 2HG GLU 56 14.802 -11.392 9.446 402 H CYS 57 H CYS 57 17.149 -10.961 5.347 403 HA CYS 57 HA CYS 57 18.369 -8.392 5.555 404 1HB CYS 57 1HB CYS 57 19.423 -10.632 7.129 405 2HB CYS 57 2HB CYS 57 20.613 -9.907 6.067 406 H THR 58 H THR 58 19.285 -11.844 4.804 407 HA THR 58 HA THR 58 19.064 -11.415 1.996 408 HB THR 58 HB THR 58 21.201 -10.178 2.511 409 HG1 THR 58 HG1 THR 58 21.459 -11.104 0.508 410 1HG2 THR 58 1HG2 THR 58 21.783 -11.971 4.417 411 2HG2 THR 58 2HG2 THR 58 22.482 -12.868 3.047 412 3HG2 THR 58 3HG2 THR 58 23.084 -11.241 3.446 413 H PHE 59 H PHE 59 19.332 -13.364 0.774 414 HA PHE 59 HA PHE 59 18.823 -15.516 0.557 415 1HB PHE 59 1HB PHE 59 21.244 -15.698 0.714 416 2HB PHE 59 2HB PHE 59 21.233 -15.371 2.436 417 HD1 PHE 59 HD1 PHE 59 20.591 -17.926 -0.128 418 HD2 PHE 59 HD2 PHE 59 20.876 -17.128 4.030 419 HE1 PHE 59 HE1 PHE 59 20.639 -20.392 0.342 420 HE2 PHE 59 HE2 PHE 59 20.924 -19.594 4.500 421 HZ PHE 59 HZ PHE 59 20.804 -21.196 2.650 No H/Q in entry = 421 Start of MODEL 41 1 H GLU 1 H GLU 1 7.500 -18.302 20.235 2 HA GLU 1 HA GLU 1 8.306 -16.524 18.715 3 1HB GLU 1 1HB GLU 1 9.211 -18.988 18.941 4 2HB GLU 1 2HB GLU 1 8.486 -19.230 17.364 5 1HG GLU 1 1HG GLU 1 9.982 -16.730 17.367 6 2HG GLU 1 2HG GLU 1 11.008 -18.023 17.957 7 H GLU 2 H GLU 2 6.763 -15.166 17.714 8 HA GLU 2 HA GLU 2 6.264 -15.708 15.042 9 1HB GLU 2 1HB GLU 2 4.531 -17.236 16.232 10 2HB GLU 2 2HB GLU 2 3.699 -15.757 16.672 11 1HG GLU 2 1HG GLU 2 4.446 -15.794 13.819 12 2HG GLU 2 2HG GLU 2 3.432 -17.158 14.247 13 H TYR 3 H TYR 3 7.140 -13.605 14.822 14 HA TYR 3 HA TYR 3 5.351 -11.473 15.775 15 1HB TYR 3 1HB TYR 3 7.770 -11.933 16.845 16 2HB TYR 3 2HB TYR 3 8.378 -11.277 15.338 17 HD1 TYR 3 HD1 TYR 3 5.738 -10.348 17.854 18 HD2 TYR 3 HD2 TYR 3 9.013 -9.056 15.423 19 HE1 TYR 3 HE1 TYR 3 5.504 -7.991 18.779 20 HE2 TYR 3 HE2 TYR 3 8.768 -6.704 16.356 21 HH TYR 3 HH TYR 3 6.244 -5.969 18.753 22 H VAL 4 H VAL 4 5.978 -9.319 14.505 23 HA VAL 4 HA VAL 4 6.960 -9.697 11.867 24 HB VAL 4 HB VAL 4 4.679 -10.767 11.796 25 1HG1 VAL 4 1HG1 VAL 4 3.937 -8.276 13.021 26 2HG1 VAL 4 2HG1 VAL 4 3.106 -8.426 11.454 27 3HG1 VAL 4 3HG1 VAL 4 2.930 -9.704 12.681 28 1HG2 VAL 4 1HG2 VAL 4 5.844 -8.775 10.005 29 2HG2 VAL 4 2HG2 VAL 4 5.111 -10.355 9.638 30 3HG2 VAL 4 3HG2 VAL 4 4.080 -8.913 9.809 31 H GLY 5 H GLY 5 4.824 -7.441 11.170 32 1HA GLY 5 1HA GLY 5 6.297 -5.244 11.188 33 2HA GLY 5 2HA GLY 5 5.817 -5.288 12.873 34 H LEU 6 H LEU 6 3.186 -6.644 12.254 35 HA LEU 6 HA LEU 6 1.602 -5.461 10.454 36 1HB LEU 6 1HB LEU 6 1.265 -7.009 12.699 37 2HB LEU 6 2HB LEU 6 0.374 -5.559 13.114 38 HG LEU 6 HG LEU 6 -0.170 -6.618 10.405 39 1HD1 LEU 6 1HD1 LEU 6 -0.107 -8.445 12.598 40 2HD1 LEU 6 2HD1 LEU 6 -1.805 -8.170 12.138 41 3HD1 LEU 6 3HD1 LEU 6 -0.631 -8.723 10.920 42 1HD2 LEU 6 1HD2 LEU 6 -1.458 -5.025 12.451 43 2HD2 LEU 6 2HD2 LEU 6 -1.831 -5.177 10.717 44 3HD2 LEU 6 3HD2 LEU 6 -2.530 -6.327 11.882 45 H SER 7 H SER 7 1.985 -3.352 9.821 46 HA SER 7 HA SER 7 0.678 -1.346 10.983 47 1HB SER 7 1HB SER 7 2.748 -0.030 11.989 48 2HB SER 7 2HB SER 7 1.844 -1.155 12.983 49 HG SER 7 HG SER 7 3.602 -2.348 13.195 50 H ALA 8 H ALA 8 4.136 -0.655 10.509 51 HA ALA 8 HA ALA 8 3.470 0.355 7.833 52 1HB ALA 8 1HB ALA 8 4.883 1.449 10.138 53 2HB ALA 8 2HB ALA 8 5.908 1.463 8.684 54 3HB ALA 8 3HB ALA 8 4.321 2.268 8.661 55 H ASN 9 H ASN 9 5.453 -1.840 9.756 56 HA ASN 9 HA ASN 9 7.652 -2.249 8.395 57 1HB ASN 9 1HB ASN 9 7.094 -3.730 10.228 58 2HB ASN 9 2HB ASN 9 5.648 -4.308 9.424 59 2HD2 ASN 9 2HD2 ASN 9 9.176 -4.137 9.112 60 1HD2 ASN 9 1HD2 ASN 9 9.407 -5.654 8.310 61 H GLN 10 H GLN 10 4.329 -2.879 7.280 62 HA GLN 10 HA GLN 10 5.233 -4.363 5.001 63 1HB GLN 10 1HB GLN 10 2.942 -4.488 6.432 64 2HB GLN 10 2HB GLN 10 2.414 -3.350 5.209 65 1HG GLN 10 1HG GLN 10 2.010 -5.152 3.883 66 2HG GLN 10 2HG GLN 10 3.747 -5.286 3.696 67 2HE2 GLN 10 2HE2 GLN 10 0.913 -6.701 4.872 68 1HE2 GLN 10 1HE2 GLN 10 1.584 -8.057 5.715 69 H CYS 11 H CYS 11 3.694 -1.163 5.720 70 HA CYS 11 HA CYS 11 4.353 -0.372 2.983 71 1HB CYS 11 1HB CYS 11 2.661 1.401 4.635 72 2HB CYS 11 2HB CYS 11 2.547 0.982 2.937 73 H ALA 12 H ALA 12 6.502 -0.616 4.768 74 HA ALA 12 HA ALA 12 6.948 2.087 5.793 75 1HB ALA 12 1HB ALA 12 8.189 -0.630 6.307 76 2HB ALA 12 2HB ALA 12 8.988 0.875 6.822 77 3HB ALA 12 3HB ALA 12 7.378 0.460 7.457 78 H VAL 13 H VAL 13 6.844 1.795 2.964 79 HA VAL 13 HA VAL 13 9.617 1.611 2.117 80 HB VAL 13 HB VAL 13 7.604 2.414 0.154 81 1HG1 VAL 13 1HG1 VAL 13 10.000 0.813 0.354 82 2HG1 VAL 13 2HG1 VAL 13 8.709 -0.114 -0.446 83 3HG1 VAL 13 3HG1 VAL 13 9.197 1.471 -1.091 84 1HG2 VAL 13 1HG2 VAL 13 7.124 0.010 1.898 85 2HG2 VAL 13 2HG2 VAL 13 5.964 1.194 1.251 86 3HG2 VAL 13 3HG2 VAL 13 6.675 -0.034 0.177 87 HA PRO 14 HA PRO 14 10.183 5.894 2.087 88 1HB PRO 14 1HB PRO 14 12.120 6.185 0.181 89 2HB PRO 14 2HB PRO 14 12.459 5.669 1.821 90 1HG PRO 14 1HG PRO 14 12.392 4.054 -0.654 91 2HG PRO 14 2HG PRO 14 13.127 3.668 0.890 92 1HD PRO 14 1HD PRO 14 10.658 2.635 -0.141 93 2HD PRO 14 2HD PRO 14 11.335 2.340 1.448 94 H ALA 15 H ALA 15 10.214 4.775 -1.272 95 HA ALA 15 HA ALA 15 7.897 5.715 -2.141 96 1HB ALA 15 1HB ALA 15 9.758 8.017 -1.603 97 2HB ALA 15 2HB ALA 15 7.994 7.909 -1.393 98 3HB ALA 15 3HB ALA 15 8.686 8.091 -3.023 99 H LYS 16 H LYS 16 11.351 5.327 -2.511 100 HA LYS 16 HA LYS 16 11.123 5.314 -5.414 101 1HB LYS 16 1HB LYS 16 13.538 5.238 -5.420 102 2HB LYS 16 2HB LYS 16 12.994 6.530 -4.369 103 1HG LYS 16 1HG LYS 16 14.515 5.567 -2.924 104 2HG LYS 16 2HG LYS 16 13.131 4.575 -2.510 105 1HD LYS 16 1HD LYS 16 14.069 3.138 -4.629 106 2HD LYS 16 2HD LYS 16 15.574 3.862 -4.099 107 1HE LYS 16 1HE LYS 16 14.192 2.957 -1.741 108 2HE LYS 16 2HE LYS 16 14.124 1.655 -2.913 109 1HZ LYS 16 1HZ LYS 16 16.553 2.022 -3.211 110 2HZ LYS 16 2HZ LYS 16 16.522 3.010 -1.911 111 3HZ LYS 16 3HZ LYS 16 16.122 1.434 -1.750 112 H ASP 17 H ASP 17 10.417 3.251 -2.912 113 HA ASP 17 HA ASP 17 11.350 0.954 -4.444 114 1HB ASP 17 1HB ASP 17 11.291 1.573 -1.580 115 2HB ASP 17 2HB ASP 17 10.414 0.091 -1.903 116 H ARG 18 H ARG 18 8.786 2.885 -4.347 117 HA ARG 18 HA ARG 18 6.722 1.128 -3.563 118 1HB ARG 18 1HB ARG 18 6.408 3.568 -5.366 119 2HB ARG 18 2HB ARG 18 5.222 2.894 -4.267 120 1HG ARG 18 1HG ARG 18 7.858 4.197 -3.435 121 2HG ARG 18 2HG ARG 18 6.281 4.953 -3.337 122 1HD ARG 18 1HD ARG 18 5.576 2.939 -1.852 123 2HD ARG 18 2HD ARG 18 7.280 2.540 -1.766 124 HE ARG 18 HE ARG 18 7.519 4.251 -0.208 125 1HH1 ARG 18 1HH1 ARG 18 4.780 5.018 -2.280 126 2HH1 ARG 18 2HH1 ARG 18 4.379 6.471 -1.428 127 1HH2 ARG 18 1HH2 ARG 18 6.990 6.169 0.916 128 2HH2 ARG 18 2HH2 ARG 18 5.645 7.131 0.402 129 H VAL 19 H VAL 19 6.030 -0.612 -4.767 130 HA VAL 19 HA VAL 19 6.780 -0.780 -7.539 131 HB VAL 19 HB VAL 19 5.094 -2.686 -5.918 132 1HG1 VAL 19 1HG1 VAL 19 6.908 -3.082 -8.323 133 2HG1 VAL 19 2HG1 VAL 19 6.040 -4.372 -7.455 134 3HG1 VAL 19 3HG1 VAL 19 5.128 -3.114 -8.322 135 1HG2 VAL 19 1HG2 VAL 19 8.063 -2.209 -5.875 136 2HG2 VAL 19 2HG2 VAL 19 6.946 -2.547 -4.531 137 3HG2 VAL 19 3HG2 VAL 19 7.424 -3.854 -5.642 138 H ASP 20 H ASP 20 4.235 0.625 -5.763 139 HA ASP 20 HA ASP 20 2.314 1.467 -6.309 140 1HB ASP 20 1HB ASP 20 3.269 2.563 -8.199 141 2HB ASP 20 2HB ASP 20 3.485 1.062 -9.077 142 H CYS 21 H CYS 21 0.442 0.290 -5.882 143 HA CYS 21 HA CYS 21 0.195 -2.349 -6.999 144 1HB CYS 21 1HB CYS 21 -0.427 -1.359 -4.579 145 2HB CYS 21 2HB CYS 21 -1.983 -1.163 -5.362 146 H GLY 22 H GLY 22 -0.986 0.952 -7.468 147 1HA GLY 22 1HA GLY 22 -2.228 0.259 -9.946 148 2HA GLY 22 2HA GLY 22 -2.164 1.836 -9.183 149 H TYR 23 H TYR 23 -3.812 2.480 -7.663 150 HA TYR 23 HA TYR 23 -6.251 0.885 -7.959 151 1HB TYR 23 1HB TYR 23 -4.687 1.783 -5.517 152 2HB TYR 23 2HB TYR 23 -6.431 1.903 -5.399 153 HD1 TYR 23 HD1 TYR 23 -7.768 -0.284 -6.066 154 HD2 TYR 23 HD2 TYR 23 -3.644 -0.217 -4.929 155 HE1 TYR 23 HE1 TYR 23 -7.889 -2.749 -5.453 156 HE2 TYR 23 HE2 TYR 23 -3.779 -2.682 -4.320 157 HH TYR 23 HH TYR 23 -6.188 -4.658 -5.334 158 HA PRO 24 HA PRO 24 -7.965 4.792 -8.691 159 1HB PRO 24 1HB PRO 24 -10.622 4.249 -8.355 160 2HB PRO 24 2HB PRO 24 -9.745 3.874 -9.825 161 1HG PRO 24 1HG PRO 24 -10.650 2.043 -7.688 162 2HG PRO 24 2HG PRO 24 -10.166 1.661 -9.329 163 1HD PRO 24 1HD PRO 24 -8.613 1.278 -6.948 164 2HD PRO 24 2HD PRO 24 -8.087 1.005 -8.597 165 H HIS 25 H HIS 25 -10.174 3.602 -6.226 166 HA HIS 25 HA HIS 25 -9.802 6.108 -4.851 167 1HB HIS 25 1HB HIS 25 -11.740 5.567 -3.641 168 2HB HIS 25 2HB HIS 25 -12.043 5.018 -5.278 169 HD1 HIS 25 HD1 HIS 25 -13.453 3.883 -2.642 170 HD2 HIS 25 HD2 HIS 25 -10.294 2.081 -4.733 171 HE1 HIS 25 HE1 HIS 25 -13.546 1.397 -2.075 172 HE2 HIS 25 HE2 HIS 25 -11.616 0.334 -3.432 173 H VAL 26 H VAL 26 -7.562 5.843 -4.202 174 HA VAL 26 HA VAL 26 -7.059 3.668 -2.334 175 HB VAL 26 HB VAL 26 -4.728 4.518 -2.456 176 1HG1 VAL 26 1HG1 VAL 26 -6.086 3.833 -5.083 177 2HG1 VAL 26 2HG1 VAL 26 -4.328 3.786 -4.805 178 3HG1 VAL 26 3HG1 VAL 26 -5.402 2.695 -3.897 179 1HG2 VAL 26 1HG2 VAL 26 -5.982 6.804 -3.586 180 2HG2 VAL 26 2HG2 VAL 26 -4.250 6.533 -3.278 181 3HG2 VAL 26 3HG2 VAL 26 -4.955 6.085 -4.850 182 H THR 27 H THR 27 -6.741 3.955 -0.134 183 HA THR 27 HA THR 27 -6.542 6.640 0.922 184 HB THR 27 HB THR 27 -8.641 6.669 2.023 185 HG1 THR 27 HG1 THR 27 -9.768 4.581 2.299 186 1HG2 THR 27 1HG2 THR 27 -9.139 5.006 -0.503 187 2HG2 THR 27 2HG2 THR 27 -10.403 5.841 0.431 188 3HG2 THR 27 3HG2 THR 27 -9.149 6.784 -0.410 189 HA PRO 28 HA PRO 28 -4.459 4.607 4.076 190 1HB PRO 28 1HB PRO 28 -5.059 6.016 6.340 191 2HB PRO 28 2HB PRO 28 -3.901 6.569 5.145 192 1HG PRO 28 1HG PRO 28 -6.655 7.525 5.639 193 2HG PRO 28 2HG PRO 28 -5.356 8.318 4.769 194 1HD PRO 28 1HD PRO 28 -7.620 6.978 3.625 195 2HD PRO 28 2HD PRO 28 -6.263 7.669 2.758 196 H LYS 29 H LYS 29 -6.823 3.283 3.342 197 HA LYS 29 HA LYS 29 -6.988 1.478 5.437 198 1HB LYS 29 1HB LYS 29 -8.229 3.634 6.351 199 2HB LYS 29 2HB LYS 29 -9.556 3.022 5.385 200 1HG LYS 29 1HG LYS 29 -8.053 1.191 7.291 201 2HG LYS 29 2HG LYS 29 -9.341 2.226 7.876 202 1HD LYS 29 1HD LYS 29 -10.703 1.185 5.830 203 2HD LYS 29 2HD LYS 29 -9.505 -0.090 5.935 204 1HE LYS 29 1HE LYS 29 -11.199 -0.871 7.381 205 2HE LYS 29 2HE LYS 29 -10.068 -0.132 8.497 206 1HZ LYS 29 1HZ LYS 29 -11.554 1.942 7.961 207 2HZ LYS 29 2HZ LYS 29 -12.676 0.790 7.674 208 3HZ LYS 29 3HZ LYS 29 -11.953 0.879 9.136 209 H GLU 30 H GLU 30 -8.621 3.121 2.693 210 HA GLU 30 HA GLU 30 -10.009 0.746 1.981 211 1HB GLU 30 1HB GLU 30 -10.879 3.056 1.531 212 2HB GLU 30 2HB GLU 30 -9.573 3.314 0.393 213 1HG GLU 30 1HG GLU 30 -10.797 2.323 -1.234 214 2HG GLU 30 2HG GLU 30 -10.781 0.822 -0.329 215 H CYS 31 H CYS 31 -7.037 2.487 0.957 216 HA CYS 31 HA CYS 31 -6.576 0.849 -1.292 217 1HB CYS 31 1HB CYS 31 -5.483 2.841 -1.481 218 2HB CYS 31 2HB CYS 31 -5.064 2.917 0.219 219 H ASN 32 H ASN 32 -5.815 0.742 2.198 220 HA ASN 32 HA ASN 32 -4.016 -1.453 1.832 221 1HB ASN 32 1HB ASN 32 -3.358 -0.992 3.997 222 2HB ASN 32 2HB ASN 32 -4.228 0.509 3.751 223 2HD2 ASN 32 2HD2 ASN 32 -3.722 -1.522 6.027 224 1HD2 ASN 32 1HD2 ASN 32 -5.266 -1.709 6.788 225 H ASN 33 H ASN 33 -7.346 -1.041 1.761 226 HA ASN 33 HA ASN 33 -7.911 -3.458 3.253 227 1HB ASN 33 1HB ASN 33 -9.464 -1.690 3.771 228 2HB ASN 33 2HB ASN 33 -9.624 -1.222 2.090 229 2HD2 ASN 33 2HD2 ASN 33 -11.777 -1.438 1.890 230 1HD2 ASN 33 1HD2 ASN 33 -12.646 -2.933 1.994 231 H ARG 34 H ARG 34 -8.150 -1.898 0.002 232 HA ARG 34 HA ARG 34 -9.559 -3.835 -1.291 233 1HB ARG 34 1HB ARG 34 -8.408 -1.463 -2.015 234 2HB ARG 34 2HB ARG 34 -7.281 -2.562 -2.785 235 1HG ARG 34 1HG ARG 34 -9.210 -1.875 -4.271 236 2HG ARG 34 2HG ARG 34 -9.047 -3.610 -4.083 237 1HD ARG 34 1HD ARG 34 -11.008 -3.809 -2.861 238 2HD ARG 34 2HD ARG 34 -10.798 -2.263 -2.062 239 HE ARG 34 HE ARG 34 -11.291 -1.862 -4.880 240 1HH1 ARG 34 1HH1 ARG 34 -12.919 -2.717 -1.880 241 2HH1 ARG 34 2HH1 ARG 34 -14.463 -2.129 -2.401 242 1HH2 ARG 34 1HH2 ARG 34 -13.327 -1.085 -5.568 243 2HH2 ARG 34 2HH2 ARG 34 -14.696 -1.195 -4.513 244 H GLY 35 H GLY 35 -6.236 -3.831 -0.121 245 1HA GLY 35 1HA GLY 35 -5.759 -6.407 -1.501 246 2HA GLY 35 2HA GLY 35 -5.318 -6.090 0.165 247 H CYS 36 H CYS 36 -3.795 -4.151 0.548 248 HA CYS 36 HA CYS 36 -1.441 -4.539 -0.727 249 1HB CYS 36 1HB CYS 36 -3.144 -3.189 -2.507 250 2HB CYS 36 2HB CYS 36 -2.056 -1.961 -1.891 251 H CYS 37 H CYS 37 -0.524 -1.722 -0.777 252 HA CYS 37 HA CYS 37 -1.066 -1.023 2.018 253 1HB CYS 37 1HB CYS 37 1.499 -1.323 0.548 254 2HB CYS 37 2HB CYS 37 1.378 0.031 1.653 255 H PHE 38 H PHE 38 -1.041 1.320 2.460 256 HA PHE 38 HA PHE 38 -1.461 2.887 0.012 257 1HB PHE 38 1HB PHE 38 -3.526 2.560 1.344 258 2HB PHE 38 2HB PHE 38 -2.681 2.938 2.831 259 HD1 PHE 38 HD1 PHE 38 -4.000 4.378 -0.299 260 HD2 PHE 38 HD2 PHE 38 -2.394 5.192 3.544 261 HE1 PHE 38 HE1 PHE 38 -4.679 6.784 -0.524 262 HE2 PHE 38 HE2 PHE 38 -3.074 7.598 3.319 263 HZ PHE 38 HZ PHE 38 -4.208 8.365 1.287 264 H ASP 39 H ASP 39 -1.244 5.387 0.581 265 HA ASP 39 HA ASP 39 0.408 6.144 2.651 266 1HB ASP 39 1HB ASP 39 2.171 4.856 1.517 267 2HB ASP 39 2HB ASP 39 1.820 5.645 -0.008 268 H SER 40 H SER 40 0.646 8.488 2.596 269 HA SER 40 HA SER 40 -0.237 9.752 0.137 270 1HB SER 40 1HB SER 40 -1.739 11.261 1.382 271 2HB SER 40 2HB SER 40 -2.227 9.591 1.592 272 HG SER 40 HG SER 40 -0.502 10.930 3.484 273 H ARG 41 H ARG 41 2.301 9.298 1.951 274 HA ARG 41 HA ARG 41 2.973 11.688 3.110 275 1HB ARG 41 1HB ARG 41 4.161 9.243 2.914 276 2HB ARG 41 2HB ARG 41 5.141 10.105 1.745 277 1HG ARG 41 1HG ARG 41 5.170 11.949 3.743 278 2HG ARG 41 2HG ARG 41 4.924 10.511 4.714 279 1HD ARG 41 1HD ARG 41 6.937 9.772 2.862 280 2HD ARG 41 2HD ARG 41 7.348 11.412 3.321 281 HE ARG 41 HE ARG 41 6.648 9.855 5.658 282 1HH1 ARG 41 1HH1 ARG 41 9.242 10.384 3.340 283 2HH1 ARG 41 2HH1 ARG 41 10.491 9.888 4.432 284 1HH2 ARG 41 1HH2 ARG 41 8.296 9.202 7.099 285 2HH2 ARG 41 2HH2 ARG 41 9.950 9.211 6.585 286 H ILE 42 H ILE 42 3.275 10.511 -0.275 287 HA ILE 42 HA ILE 42 3.568 13.228 -1.170 288 HB ILE 42 HB ILE 42 5.604 12.149 -2.610 289 1HG1 ILE 42 1HG1 ILE 42 7.169 11.113 -0.994 290 2HG1 ILE 42 2HG1 ILE 42 5.897 11.075 0.211 291 1HG2 ILE 42 1HG2 ILE 42 5.258 14.110 -0.492 292 2HG2 ILE 42 2HG2 ILE 42 6.884 13.386 -0.472 293 3HG2 ILE 42 3HG2 ILE 42 6.274 14.165 -1.952 294 1HD1 ILE 42 1HD1 ILE 42 5.307 9.862 -2.483 295 2HD1 ILE 42 2HD1 ILE 42 6.368 8.969 -1.367 296 3HD1 ILE 42 3HD1 ILE 42 4.710 9.389 -0.874 297 HA PRO 43 HA PRO 43 1.184 11.331 -4.250 298 1HB PRO 43 1HB PRO 43 0.871 13.473 -5.918 299 2HB PRO 43 2HB PRO 43 -0.116 13.216 -4.493 300 1HG PRO 43 1HG PRO 43 2.088 15.144 -4.898 301 2HG PRO 43 2HG PRO 43 0.833 15.153 -3.675 302 1HD PRO 43 1HD PRO 43 3.571 14.372 -3.320 303 2HD PRO 43 2HD PRO 43 2.289 14.271 -2.129 304 H GLY 44 H GLY 44 4.052 13.120 -5.132 305 1HA GLY 44 1HA GLY 44 5.733 12.470 -6.507 306 2HA GLY 44 2HA GLY 44 4.455 12.487 -7.707 307 H VAL 45 H VAL 45 4.676 10.229 -4.910 308 HA VAL 45 HA VAL 45 5.432 8.092 -6.752 309 HB VAL 45 HB VAL 45 6.303 6.985 -4.956 310 1HG1 VAL 45 1HG1 VAL 45 6.630 9.899 -4.790 311 2HG1 VAL 45 2HG1 VAL 45 6.986 9.057 -3.263 312 3HG1 VAL 45 3HG1 VAL 45 7.849 8.602 -4.751 313 1HG2 VAL 45 1HG2 VAL 45 4.213 8.396 -3.296 314 2HG2 VAL 45 2HG2 VAL 45 4.465 6.651 -3.543 315 3HG2 VAL 45 3HG2 VAL 45 5.603 7.581 -2.539 316 HA PRO 46 HA PRO 46 1.545 6.211 -6.519 317 1HB PRO 46 1HB PRO 46 2.041 3.543 -6.195 318 2HB PRO 46 2HB PRO 46 2.204 4.368 -7.732 319 1HG PRO 46 1HG PRO 46 4.324 3.443 -5.891 320 2HG PRO 46 2HG PRO 46 4.452 3.872 -7.585 321 1HD PRO 46 1HD PRO 46 5.271 5.466 -5.346 322 2HD PRO 46 2HD PRO 46 5.291 5.940 -7.033 323 H TRP 47 H TRP 47 0.638 7.285 -4.749 324 HA TRP 47 HA TRP 47 0.999 6.932 -2.176 325 1HB TRP 47 1HB TRP 47 -1.484 7.232 -3.789 326 2HB TRP 47 2HB TRP 47 -1.668 6.856 -2.088 327 HD1 TRP 47 HD1 TRP 47 1.212 9.158 -3.217 328 HE1 TRP 47 HE1 TRP 47 0.875 11.618 -2.323 329 HE3 TRP 47 HE3 TRP 47 -3.476 8.415 -1.393 330 HZ2 TRP 47 HZ2 TRP 47 -1.266 12.948 -0.984 331 HZ3 TRP 47 HZ3 TRP 47 -4.620 10.346 -0.307 332 HH2 TRP 47 HH2 TRP 47 -3.590 12.552 -0.088 333 H CYS 48 H CYS 48 -1.046 4.672 -4.170 334 HA CYS 48 HA CYS 48 -0.907 2.750 -2.007 335 1HB CYS 48 1HB CYS 48 -3.018 3.366 -3.365 336 2HB CYS 48 2HB CYS 48 -2.337 2.358 -4.627 337 H PHE 49 H PHE 49 0.904 1.458 -1.976 338 HA PHE 49 HA PHE 49 1.829 0.440 -4.563 339 1HB PHE 49 1HB PHE 49 4.166 0.621 -3.397 340 2HB PHE 49 2HB PHE 49 3.446 2.130 -3.921 341 HD1 PHE 49 HD1 PHE 49 3.604 -0.076 -0.915 342 HD2 PHE 49 HD2 PHE 49 3.320 3.883 -2.417 343 HE1 PHE 49 HE1 PHE 49 3.791 0.823 1.421 344 HE2 PHE 49 HE2 PHE 49 3.507 4.782 -0.081 345 HZ PHE 49 HZ PHE 49 3.741 3.242 1.810 346 H LYS 50 H LYS 50 3.258 -1.561 -4.273 347 HA LYS 50 HA LYS 50 1.860 -3.436 -2.735 348 1HB LYS 50 1HB LYS 50 4.620 -3.692 -3.964 349 2HB LYS 50 2HB LYS 50 3.561 -5.003 -3.488 350 1HG LYS 50 1HG LYS 50 1.814 -3.987 -5.113 351 2HG LYS 50 2HG LYS 50 3.111 -2.977 -5.718 352 1HD LYS 50 1HD LYS 50 3.319 -4.778 -7.175 353 2HD LYS 50 2HD LYS 50 4.419 -5.299 -5.914 354 1HE LYS 50 1HE LYS 50 2.926 -6.907 -5.073 355 2HE LYS 50 2HE LYS 50 1.508 -6.050 -5.641 356 1HZ LYS 50 1HZ LYS 50 2.528 -6.579 -7.937 357 2HZ LYS 50 2HZ LYS 50 3.312 -7.766 -7.135 358 3HZ LYS 50 3HZ LYS 50 1.680 -7.726 -7.141 359 HA PRO 51 HA PRO 51 3.879 -3.304 1.076 360 1HB PRO 51 1HB PRO 51 3.946 -5.918 1.873 361 2HB PRO 51 2HB PRO 51 2.510 -4.919 1.981 362 1HG PRO 51 1HG PRO 51 3.132 -7.068 0.048 363 2HG PRO 51 2HG PRO 51 1.577 -6.363 0.444 364 1HD PRO 51 1HD PRO 51 3.151 -5.843 -1.897 365 2HD PRO 51 2HD PRO 51 1.653 -5.054 -1.444 366 H LEU 52 H LEU 52 5.874 -2.743 1.659 367 HA LEU 52 HA LEU 52 8.051 -3.205 0.201 368 1HB LEU 52 1HB LEU 52 8.138 -1.704 2.006 369 2HB LEU 52 2HB LEU 52 7.728 -2.940 3.179 370 HG LEU 52 HG LEU 52 10.326 -2.881 1.620 371 1HD1 LEU 52 1HD1 LEU 52 9.604 -1.053 3.533 372 2HD1 LEU 52 2HD1 LEU 52 10.440 -2.297 4.494 373 3HD1 LEU 52 3HD1 LEU 52 11.272 -1.523 3.124 374 1HD2 LEU 52 1HD2 LEU 52 9.082 -4.827 3.391 375 2HD2 LEU 52 2HD2 LEU 52 10.507 -4.981 2.336 376 3HD2 LEU 52 3HD2 LEU 52 10.682 -4.311 3.976 377 H GLN 53 H GLN 53 9.337 -4.876 -0.412 378 HA GLN 53 HA GLN 53 8.544 -7.467 0.252 379 1HB GLN 53 1HB GLN 53 10.858 -7.990 -0.912 380 2HB GLN 53 2HB GLN 53 9.532 -7.335 -1.852 381 1HG GLN 53 1HG GLN 53 11.726 -6.158 -2.261 382 2HG GLN 53 2HG GLN 53 10.447 -5.082 -1.734 383 2HE2 GLN 53 2HE2 GLN 53 10.789 -3.808 -0.070 384 1HE2 GLN 53 1HE2 GLN 53 12.075 -3.926 1.084 385 H GLU 54 H GLU 54 8.693 -6.819 2.728 386 HA GLU 54 HA GLU 54 11.028 -6.502 4.030 387 1HB GLU 54 1HB GLU 54 9.899 -7.437 6.000 388 2HB GLU 54 2HB GLU 54 8.783 -6.442 5.086 389 1HG GLU 54 1HG GLU 54 8.192 -8.755 3.881 390 2HG GLU 54 2HG GLU 54 8.867 -9.454 5.339 391 H ALA 55 H ALA 55 12.866 -7.627 3.386 392 HA ALA 55 HA ALA 55 12.931 -10.419 4.115 393 1HB ALA 55 1HB ALA 55 12.141 -10.465 1.764 394 2HB ALA 55 2HB ALA 55 13.561 -9.508 1.277 395 3HB ALA 55 3HB ALA 55 13.775 -11.152 1.925 396 H GLU 56 H GLU 56 14.855 -8.070 2.108 397 HA GLU 56 HA GLU 56 17.250 -8.867 3.286 398 1HB GLU 56 1HB GLU 56 16.800 -7.649 1.025 399 2HB GLU 56 2HB GLU 56 16.794 -6.170 1.965 400 1HG GLU 56 1HG GLU 56 19.083 -6.941 2.915 401 2HG GLU 56 2HG GLU 56 19.081 -8.160 1.656 402 H CYS 57 H CYS 57 16.722 -8.787 5.610 403 HA CYS 57 HA CYS 57 16.890 -7.879 7.600 404 1HB CYS 57 1HB CYS 57 18.075 -5.545 6.092 405 2HB CYS 57 2HB CYS 57 17.963 -5.603 7.840 406 H THR 58 H THR 58 15.794 -6.225 9.054 407 HA THR 58 HA THR 58 13.247 -5.502 7.891 408 HB THR 58 HB THR 58 14.454 -5.480 10.701 409 HG1 THR 58 HG1 THR 58 13.835 -7.558 9.978 410 1HG2 THR 58 1HG2 THR 58 11.887 -4.337 9.636 411 2HG2 THR 58 2HG2 THR 58 11.752 -5.371 11.079 412 3HG2 THR 58 3HG2 THR 58 12.779 -3.918 11.118 413 H PHE 59 H PHE 59 15.790 -3.734 9.789 414 HA PHE 59 HA PHE 59 14.691 -1.227 9.228 415 1HB PHE 59 1HB PHE 59 16.292 -1.746 11.077 416 2HB PHE 59 2HB PHE 59 17.510 -2.246 9.920 417 HD1 PHE 59 HD1 PHE 59 15.372 0.776 10.475 418 HD2 PHE 59 HD2 PHE 59 19.238 -0.762 9.641 419 HE1 PHE 59 HE1 PHE 59 16.292 3.111 10.435 420 HE2 PHE 59 HE2 PHE 59 20.158 1.572 9.601 421 HZ PHE 59 HZ PHE 59 18.675 3.481 9.998 No H/Q in entry = 421 Start of MODEL 42 1 H GLU 1 H GLU 1 5.241 -13.919 20.210 2 HA GLU 1 HA GLU 1 7.483 -12.785 20.352 3 1HB GLU 1 1HB GLU 1 6.747 -15.387 19.151 4 2HB GLU 1 2HB GLU 1 8.346 -14.842 18.687 5 1HG GLU 1 1HG GLU 1 9.149 -14.843 20.903 6 2HG GLU 1 2HG GLU 1 7.552 -14.646 21.596 7 H GLU 2 H GLU 2 7.119 -10.715 19.095 8 HA GLU 2 HA GLU 2 7.644 -9.346 17.495 9 1HB GLU 2 1HB GLU 2 9.625 -11.551 17.089 10 2HB GLU 2 2HB GLU 2 9.458 -10.421 15.760 11 1HG GLU 2 1HG GLU 2 9.529 -8.960 18.283 12 2HG GLU 2 2HG GLU 2 10.904 -10.042 18.191 13 H TYR 3 H TYR 3 6.036 -8.839 16.075 14 HA TYR 3 HA TYR 3 5.556 -10.735 13.886 15 1HB TYR 3 1HB TYR 3 3.813 -10.853 15.748 16 2HB TYR 3 2HB TYR 3 3.567 -9.124 15.606 17 HD1 TYR 3 HD1 TYR 3 3.094 -12.374 13.886 18 HD2 TYR 3 HD2 TYR 3 2.158 -8.200 13.896 19 HE1 TYR 3 HE1 TYR 3 1.288 -12.768 12.140 20 HE2 TYR 3 HE2 TYR 3 0.355 -8.607 12.151 21 HH TYR 3 HH TYR 3 -0.290 -11.895 10.959 22 H VAL 4 H VAL 4 4.780 -9.763 11.907 23 HA VAL 4 HA VAL 4 4.736 -6.860 11.847 24 HB VAL 4 HB VAL 4 6.636 -8.521 10.179 25 1HG1 VAL 4 1HG1 VAL 4 5.548 -6.507 9.066 26 2HG1 VAL 4 2HG1 VAL 4 6.408 -5.502 10.257 27 3HG1 VAL 4 3HG1 VAL 4 7.327 -6.513 9.116 28 1HG2 VAL 4 1HG2 VAL 4 7.063 -6.688 12.546 29 2HG2 VAL 4 2HG2 VAL 4 7.623 -8.362 12.313 30 3HG2 VAL 4 3HG2 VAL 4 8.359 -7.039 11.377 31 H GLY 5 H GLY 5 2.511 -7.023 11.358 32 1HA GLY 5 1HA GLY 5 1.086 -8.649 9.848 33 2HA GLY 5 2HA GLY 5 1.981 -7.810 8.596 34 H LEU 6 H LEU 6 2.059 -5.370 10.610 35 HA LEU 6 HA LEU 6 -0.710 -4.518 10.137 36 1HB LEU 6 1HB LEU 6 -0.587 -3.164 12.024 37 2HB LEU 6 2HB LEU 6 0.127 -4.691 12.503 38 HG LEU 6 HG LEU 6 2.023 -2.624 11.525 39 1HD1 LEU 6 1HD1 LEU 6 0.055 -1.928 13.471 40 2HD1 LEU 6 2HD1 LEU 6 1.630 -2.071 14.287 41 3HD1 LEU 6 3HD1 LEU 6 1.447 -0.980 12.893 42 1HD2 LEU 6 1HD2 LEU 6 2.027 -5.007 13.183 43 2HD2 LEU 6 2HD2 LEU 6 3.375 -4.168 12.379 44 3HD2 LEU 6 3HD2 LEU 6 2.836 -3.642 13.991 45 H SER 7 H SER 7 -1.116 -2.645 8.972 46 HA SER 7 HA SER 7 0.643 -1.938 7.042 47 1HB SER 7 1HB SER 7 -0.802 0.012 6.648 48 2HB SER 7 2HB SER 7 -1.776 -1.395 7.026 49 HG SER 7 HG SER 7 -1.680 -0.536 9.342 50 H ALA 8 H ALA 8 2.730 -1.233 7.405 51 HA ALA 8 HA ALA 8 3.354 1.276 8.172 52 1HB ALA 8 1HB ALA 8 4.342 0.569 10.568 53 2HB ALA 8 2HB ALA 8 2.938 -0.523 10.529 54 3HB ALA 8 3HB ALA 8 2.702 1.235 10.378 55 H ASN 9 H ASN 9 4.658 -1.859 9.473 56 HA ASN 9 HA ASN 9 7.240 -1.281 8.700 57 1HB ASN 9 1HB ASN 9 5.719 -3.723 9.574 58 2HB ASN 9 2HB ASN 9 7.239 -4.029 8.757 59 2HD2 ASN 9 2HD2 ASN 9 5.672 -2.924 11.595 60 1HD2 ASN 9 1HD2 ASN 9 7.065 -2.596 12.572 61 H GLN 10 H GLN 10 4.688 -3.424 7.227 62 HA GLN 10 HA GLN 10 6.260 -4.130 5.028 63 1HB GLN 10 1HB GLN 10 4.122 -5.007 4.093 64 2HB GLN 10 2HB GLN 10 4.375 -5.509 5.753 65 1HG GLN 10 1HG GLN 10 2.988 -3.316 6.335 66 2HG GLN 10 2HG GLN 10 2.440 -3.442 4.675 67 2HE2 GLN 10 2HE2 GLN 10 2.777 -5.225 7.711 68 1HE2 GLN 10 1HE2 GLN 10 1.414 -6.275 7.515 69 H CYS 11 H CYS 11 4.266 -1.331 5.807 70 HA CYS 11 HA CYS 11 4.454 -0.457 3.021 71 1HB CYS 11 1HB CYS 11 2.790 1.030 4.988 72 2HB CYS 11 2HB CYS 11 2.548 0.770 3.272 73 H ALA 12 H ALA 12 6.806 -0.489 4.630 74 HA ALA 12 HA ALA 12 7.101 2.351 5.334 75 1HB ALA 12 1HB ALA 12 9.234 0.646 6.299 76 2HB ALA 12 2HB ALA 12 7.657 -0.017 6.792 77 3HB ALA 12 3HB ALA 12 8.095 1.653 7.224 78 H VAL 13 H VAL 13 7.136 2.067 2.693 79 HA VAL 13 HA VAL 13 9.862 1.452 1.872 80 HB VAL 13 HB VAL 13 7.915 2.410 -0.112 81 1HG1 VAL 13 1HG1 VAL 13 10.178 0.601 0.098 82 2HG1 VAL 13 2HG1 VAL 13 8.808 -0.177 -0.730 83 3HG1 VAL 13 3HG1 VAL 13 9.459 1.363 -1.342 84 1HG2 VAL 13 1HG2 VAL 13 7.324 0.010 1.623 85 2HG2 VAL 13 2HG2 VAL 13 6.237 1.324 1.113 86 3HG2 VAL 13 3HG2 VAL 13 6.764 0.097 -0.065 87 HA PRO 14 HA PRO 14 10.954 5.628 1.688 88 1HB PRO 14 1HB PRO 14 12.978 5.577 -0.147 89 2HB PRO 14 2HB PRO 14 13.192 5.113 1.529 90 1HG PRO 14 1HG PRO 14 13.012 3.387 -0.864 91 2HG PRO 14 2HG PRO 14 13.639 2.997 0.725 92 1HD PRO 14 1HD PRO 14 11.098 2.220 -0.356 93 2HD PRO 14 2HD PRO 14 11.677 1.931 1.273 94 H ALA 15 H ALA 15 9.268 4.158 -0.676 95 HA ALA 15 HA ALA 15 7.787 5.163 -2.055 96 1HB ALA 15 1HB ALA 15 9.335 7.729 -2.229 97 2HB ALA 15 2HB ALA 15 7.576 7.458 -2.218 98 3HB ALA 15 3HB ALA 15 8.502 7.351 -0.702 99 H LYS 16 H LYS 16 11.300 5.292 -2.325 100 HA LYS 16 HA LYS 16 11.169 5.437 -5.218 101 1HB LYS 16 1HB LYS 16 13.600 5.533 -5.103 102 2HB LYS 16 2HB LYS 16 12.880 6.728 -4.043 103 1HG LYS 16 1HG LYS 16 14.322 5.858 -2.486 104 2HG LYS 16 2HG LYS 16 13.078 4.639 -2.290 105 1HD LYS 16 1HD LYS 16 15.064 3.375 -2.618 106 2HD LYS 16 2HD LYS 16 14.274 3.327 -4.182 107 1HE LYS 16 1HE LYS 16 15.877 4.650 -5.195 108 2HE LYS 16 2HE LYS 16 16.114 5.646 -3.773 109 1HZ LYS 16 1HZ LYS 16 17.006 2.863 -3.807 110 2HZ LYS 16 2HZ LYS 16 17.941 4.051 -4.425 111 3HZ LYS 16 3HZ LYS 16 17.516 4.082 -2.848 112 H ASP 17 H ASP 17 10.302 3.124 -3.155 113 HA ASP 17 HA ASP 17 11.448 1.069 -4.864 114 1HB ASP 17 1HB ASP 17 12.645 0.864 -2.771 115 2HB ASP 17 2HB ASP 17 11.182 1.083 -1.831 116 H ARG 18 H ARG 18 8.818 2.664 -4.640 117 HA ARG 18 HA ARG 18 6.937 0.856 -3.570 118 1HB ARG 18 1HB ARG 18 6.369 3.116 -5.543 119 2HB ARG 18 2HB ARG 18 5.269 2.445 -4.355 120 1HG ARG 18 1HG ARG 18 7.883 3.661 -3.424 121 2HG ARG 18 2HG ARG 18 6.557 4.720 -3.862 122 1HD ARG 18 1HD ARG 18 5.277 2.830 -2.262 123 2HD ARG 18 2HD ARG 18 6.850 2.947 -1.498 124 HE ARG 18 HE ARG 18 5.541 5.521 -2.149 125 1HH1 ARG 18 1HH1 ARG 18 6.234 3.081 0.290 126 2HH1 ARG 18 2HH1 ARG 18 5.900 4.136 1.623 127 1HH2 ARG 18 1HH2 ARG 18 5.101 6.913 -0.391 128 2HH2 ARG 18 2HH2 ARG 18 5.252 6.330 1.233 129 H VAL 19 H VAL 19 5.521 -0.583 -4.696 130 HA VAL 19 HA VAL 19 6.436 -1.237 -7.391 131 HB VAL 19 HB VAL 19 4.550 -2.850 -5.693 132 1HG1 VAL 19 1HG1 VAL 19 5.835 -3.175 -8.239 133 2HG1 VAL 19 2HG1 VAL 19 6.444 -4.419 -7.120 134 3HG1 VAL 19 3HG1 VAL 19 4.695 -4.262 -7.410 135 1HG2 VAL 19 1HG2 VAL 19 7.479 -2.413 -5.291 136 2HG2 VAL 19 2HG2 VAL 19 6.197 -2.758 -4.106 137 3HG2 VAL 19 3HG2 VAL 19 6.853 -4.070 -5.115 138 H ASP 20 H ASP 20 4.189 0.744 -5.930 139 HA ASP 20 HA ASP 20 2.248 1.568 -6.470 140 1HB ASP 20 1HB ASP 20 3.342 2.527 -8.358 141 2HB ASP 20 2HB ASP 20 3.480 0.985 -9.178 142 H CYS 21 H CYS 21 0.651 0.114 -5.673 143 HA CYS 21 HA CYS 21 0.144 -2.371 -6.885 144 1HB CYS 21 1HB CYS 21 -0.440 -1.267 -4.484 145 2HB CYS 21 2HB CYS 21 -1.996 -1.106 -5.275 146 H GLY 22 H GLY 22 -0.780 0.947 -7.533 147 1HA GLY 22 1HA GLY 22 -2.068 0.294 -9.957 148 2HA GLY 22 2HA GLY 22 -2.013 1.863 -9.177 149 H TYR 23 H TYR 23 -3.721 2.545 -7.782 150 HA TYR 23 HA TYR 23 -6.142 0.936 -8.098 151 1HB TYR 23 1HB TYR 23 -4.647 1.865 -5.622 152 2HB TYR 23 2HB TYR 23 -6.395 1.966 -5.554 153 HD1 TYR 23 HD1 TYR 23 -7.633 -0.284 -6.391 154 HD2 TYR 23 HD2 TYR 23 -3.652 -0.077 -4.838 155 HE1 TYR 23 HE1 TYR 23 -7.742 -2.745 -5.762 156 HE2 TYR 23 HE2 TYR 23 -3.775 -2.538 -4.214 157 HH TYR 23 HH TYR 23 -5.047 -4.537 -5.023 158 HA PRO 24 HA PRO 24 -7.846 4.834 -8.895 159 1HB PRO 24 1HB PRO 24 -10.509 4.305 -8.579 160 2HB PRO 24 2HB PRO 24 -9.618 3.904 -10.034 161 1HG PRO 24 1HG PRO 24 -10.551 2.109 -7.878 162 2HG PRO 24 2HG PRO 24 -10.051 1.701 -9.507 163 1HD PRO 24 1HD PRO 24 -8.524 1.349 -7.104 164 2HD PRO 24 2HD PRO 24 -7.983 1.049 -8.744 165 H HIS 25 H HIS 25 -10.039 3.653 -6.405 166 HA HIS 25 HA HIS 25 -9.659 6.188 -5.064 167 1HB HIS 25 1HB HIS 25 -11.601 5.598 -3.778 168 2HB HIS 25 2HB HIS 25 -11.929 5.321 -5.477 169 HD1 HIS 25 HD1 HIS 25 -13.740 3.866 -3.602 170 HD2 HIS 25 HD2 HIS 25 -10.061 2.261 -4.820 171 HE1 HIS 25 HE1 HIS 25 -13.913 1.343 -3.261 172 HE2 HIS 25 HE2 HIS 25 -11.643 0.406 -4.077 173 H VAL 26 H VAL 26 -7.495 5.952 -4.277 174 HA VAL 26 HA VAL 26 -7.080 3.745 -2.411 175 HB VAL 26 HB VAL 26 -4.721 4.531 -2.481 176 1HG1 VAL 26 1HG1 VAL 26 -5.491 2.708 -3.925 177 2HG1 VAL 26 2HG1 VAL 26 -5.975 3.883 -5.171 178 3HG1 VAL 26 3HG1 VAL 26 -4.257 3.691 -4.748 179 1HG2 VAL 26 1HG2 VAL 26 -5.634 6.907 -3.327 180 2HG2 VAL 26 2HG2 VAL 26 -3.990 6.326 -3.685 181 3HG2 VAL 26 3HG2 VAL 26 -5.275 6.174 -4.908 182 H THR 27 H THR 27 -6.969 4.038 -0.214 183 HA THR 27 HA THR 27 -6.672 6.739 0.818 184 HB THR 27 HB THR 27 -8.807 6.857 1.804 185 HG1 THR 27 HG1 THR 27 -9.898 4.863 2.344 186 1HG2 THR 27 1HG2 THR 27 -9.232 5.038 -0.625 187 2HG2 THR 27 2HG2 THR 27 -10.540 5.884 0.236 188 3HG2 THR 27 3HG2 THR 27 -9.290 6.816 -0.622 189 HA PRO 28 HA PRO 28 -4.757 4.716 4.087 190 1HB PRO 28 1HB PRO 28 -5.498 6.086 6.333 191 2HB PRO 28 2HB PRO 28 -4.288 6.672 5.208 192 1HG PRO 28 1HG PRO 28 -7.079 7.579 5.567 193 2HG PRO 28 2HG PRO 28 -5.750 8.403 4.777 194 1HD PRO 28 1HD PRO 28 -7.928 7.043 3.500 195 2HD PRO 28 2HD PRO 28 -6.539 7.767 2.714 196 H LYS 29 H LYS 29 -7.051 3.359 3.213 197 HA LYS 29 HA LYS 29 -7.301 1.534 5.284 198 1HB LYS 29 1HB LYS 29 -8.612 3.615 6.188 199 2HB LYS 29 2HB LYS 29 -9.863 3.096 5.077 200 1HG LYS 29 1HG LYS 29 -8.902 0.756 6.467 201 2HG LYS 29 2HG LYS 29 -9.201 2.000 7.665 202 1HD LYS 29 1HD LYS 29 -11.258 1.457 5.500 203 2HD LYS 29 2HD LYS 29 -11.179 0.421 6.911 204 1HE LYS 29 1HE LYS 29 -12.046 2.029 8.305 205 2HE LYS 29 2HE LYS 29 -11.113 3.317 7.567 206 1HZ LYS 29 1HZ LYS 29 -13.488 2.091 6.345 207 2HZ LYS 29 2HZ LYS 29 -13.489 3.505 7.163 208 3HZ LYS 29 3HZ LYS 29 -12.657 3.371 5.764 209 H GLU 30 H GLU 30 -9.077 3.167 2.586 210 HA GLU 30 HA GLU 30 -10.293 0.789 1.745 211 1HB GLU 30 1HB GLU 30 -11.287 2.911 1.152 212 2HB GLU 30 2HB GLU 30 -9.812 3.470 0.388 213 1HG GLU 30 1HG GLU 30 -10.263 2.372 -1.568 214 2HG GLU 30 2HG GLU 30 -10.771 0.912 -0.743 215 H CYS 31 H CYS 31 -7.295 2.553 0.797 216 HA CYS 31 HA CYS 31 -6.703 0.906 -1.389 217 1HB CYS 31 1HB CYS 31 -5.556 2.869 -1.496 218 2HB CYS 31 2HB CYS 31 -5.264 2.938 0.231 219 H ASN 32 H ASN 32 -6.112 0.762 2.139 220 HA ASN 32 HA ASN 32 -4.368 -1.488 1.834 221 1HB ASN 32 1HB ASN 32 -3.667 -0.783 3.890 222 2HB ASN 32 2HB ASN 32 -4.882 0.479 3.851 223 2HD2 ASN 32 2HD2 ASN 32 -7.153 -0.268 4.362 224 1HD2 ASN 32 1HD2 ASN 32 -7.357 -1.343 5.706 225 H ASN 33 H ASN 33 -7.667 -0.986 1.608 226 HA ASN 33 HA ASN 33 -8.388 -3.347 3.117 227 1HB ASN 33 1HB ASN 33 -9.864 -1.414 3.425 228 2HB ASN 33 2HB ASN 33 -10.026 -1.190 1.694 229 2HD2 ASN 33 2HD2 ASN 33 -11.832 -1.897 4.090 230 1HD2 ASN 33 1HD2 ASN 33 -12.826 -3.195 3.517 231 H ARG 34 H ARG 34 -8.286 -1.910 -0.186 232 HA ARG 34 HA ARG 34 -9.682 -3.883 -1.493 233 1HB ARG 34 1HB ARG 34 -8.550 -1.520 -2.234 234 2HB ARG 34 2HB ARG 34 -7.338 -2.604 -2.888 235 1HG ARG 34 1HG ARG 34 -10.332 -2.747 -3.485 236 2HG ARG 34 2HG ARG 34 -9.121 -2.073 -4.558 237 1HD ARG 34 1HD ARG 34 -7.954 -4.452 -4.279 238 2HD ARG 34 2HD ARG 34 -9.551 -4.969 -3.773 239 HE ARG 34 HE ARG 34 -9.836 -3.453 -6.178 240 1HH1 ARG 34 1HH1 ARG 34 -8.516 -6.527 -5.088 241 2HH1 ARG 34 2HH1 ARG 34 -8.750 -7.314 -6.613 242 1HH2 ARG 34 1HH2 ARG 34 -10.144 -4.490 -8.191 243 2HH2 ARG 34 2HH2 ARG 34 -9.682 -6.147 -8.390 244 H GLY 35 H GLY 35 -6.369 -3.752 -0.245 245 1HA GLY 35 1HA GLY 35 -5.808 -6.372 -1.503 246 2HA GLY 35 2HA GLY 35 -5.460 -6.016 0.178 247 H CYS 36 H CYS 36 -3.970 -4.079 0.614 248 HA CYS 36 HA CYS 36 -1.557 -4.447 -0.555 249 1HB CYS 36 1HB CYS 36 -3.201 -3.094 -2.399 250 2HB CYS 36 2HB CYS 36 -2.123 -1.877 -1.745 251 H CYS 37 H CYS 37 -0.638 -1.644 -0.553 252 HA CYS 37 HA CYS 37 -1.329 -0.934 2.206 253 1HB CYS 37 1HB CYS 37 1.326 -1.151 0.853 254 2HB CYS 37 2HB CYS 37 1.106 0.098 2.062 255 H PHE 38 H PHE 38 -1.343 1.406 2.641 256 HA PHE 38 HA PHE 38 -1.637 2.964 0.169 257 1HB PHE 38 1HB PHE 38 -3.752 2.656 1.428 258 2HB PHE 38 2HB PHE 38 -2.959 3.046 2.942 259 HD1 PHE 38 HD1 PHE 38 -4.201 4.449 -0.229 260 HD2 PHE 38 HD2 PHE 38 -2.644 5.316 3.622 261 HE1 PHE 38 HE1 PHE 38 -4.861 6.855 -0.504 262 HE2 PHE 38 HE2 PHE 38 -3.303 7.722 3.347 263 HZ PHE 38 HZ PHE 38 -4.404 8.463 1.288 264 H ASP 39 H ASP 39 -1.438 5.470 0.745 265 HA ASP 39 HA ASP 39 0.143 6.232 2.865 266 1HB ASP 39 1HB ASP 39 1.974 4.975 1.881 267 2HB ASP 39 2HB ASP 39 1.639 5.613 0.284 268 H SER 40 H SER 40 0.376 8.572 2.809 269 HA SER 40 HA SER 40 -0.442 9.812 0.311 270 1HB SER 40 1HB SER 40 -1.922 11.361 1.514 271 2HB SER 40 2HB SER 40 -2.425 9.707 1.798 272 HG SER 40 HG SER 40 -0.832 10.022 3.786 273 H ARG 41 H ARG 41 2.096 9.339 2.113 274 HA ARG 41 HA ARG 41 2.821 11.733 3.232 275 1HB ARG 41 1HB ARG 41 3.959 9.267 3.077 276 2HB ARG 41 2HB ARG 41 4.943 10.079 1.875 277 1HG ARG 41 1HG ARG 41 4.774 11.887 4.072 278 2HG ARG 41 2HG ARG 41 5.040 10.307 4.783 279 1HD ARG 41 1HD ARG 41 7.012 9.954 3.291 280 2HD ARG 41 2HD ARG 41 6.737 11.515 2.543 281 HE ARG 41 HE ARG 41 6.908 11.934 5.355 282 1HH1 ARG 41 1HH1 ARG 41 8.972 10.924 2.690 283 2HH1 ARG 41 2HH1 ARG 41 10.426 11.511 3.425 284 1HH2 ARG 41 1HH2 ARG 41 8.827 12.708 6.326 285 2HH2 ARG 41 2HH2 ARG 41 10.343 12.532 5.508 286 H ILE 42 H ILE 42 3.364 10.419 -0.104 287 HA ILE 42 HA ILE 42 3.621 13.148 -1.057 288 HB ILE 42 HB ILE 42 5.620 11.939 -2.472 289 1HG1 ILE 42 1HG1 ILE 42 7.151 10.941 -0.799 290 2HG1 ILE 42 2HG1 ILE 42 5.877 11.003 0.402 291 1HG2 ILE 42 1HG2 ILE 42 5.342 14.227 -1.198 292 2HG2 ILE 42 2HG2 ILE 42 6.320 13.405 0.041 293 3HG2 ILE 42 3HG2 ILE 42 6.952 13.593 -1.612 294 1HD1 ILE 42 1HD1 ILE 42 5.047 9.724 -2.146 295 2HD1 ILE 42 2HD1 ILE 42 6.343 8.864 -1.280 296 3HD1 ILE 42 3HD1 ILE 42 4.793 9.188 -0.468 297 HA PRO 43 HA PRO 43 1.166 11.277 -4.099 298 1HB PRO 43 1HB PRO 43 0.887 13.415 -5.777 299 2HB PRO 43 2HB PRO 43 -0.097 13.186 -4.345 300 1HG PRO 43 1HG PRO 43 2.143 15.067 -4.774 301 2HG PRO 43 2HG PRO 43 0.896 15.107 -3.543 302 1HD PRO 43 1HD PRO 43 3.619 14.274 -3.200 303 2HD PRO 43 2HD PRO 43 2.343 14.206 -2.001 304 H GLY 44 H GLY 44 4.057 13.013 -5.018 305 1HA GLY 44 1HA GLY 44 5.720 12.317 -6.395 306 2HA GLY 44 2HA GLY 44 4.436 12.357 -7.587 307 H VAL 45 H VAL 45 4.737 10.111 -4.773 308 HA VAL 45 HA VAL 45 5.395 7.952 -6.618 309 HB VAL 45 HB VAL 45 6.292 6.856 -4.838 310 1HG1 VAL 45 1HG1 VAL 45 6.990 9.489 -5.042 311 2HG1 VAL 45 2HG1 VAL 45 6.575 9.374 -3.315 312 3HG1 VAL 45 3HG1 VAL 45 7.815 8.300 -4.005 313 1HG2 VAL 45 1HG2 VAL 45 4.187 8.223 -3.162 314 2HG2 VAL 45 2HG2 VAL 45 4.463 6.485 -3.425 315 3HG2 VAL 45 3HG2 VAL 45 5.588 7.421 -2.411 316 HA PRO 46 HA PRO 46 1.487 6.121 -6.326 317 1HB PRO 46 1HB PRO 46 1.943 3.453 -5.947 318 2HB PRO 46 2HB PRO 46 2.114 4.243 -7.502 319 1HG PRO 46 1HG PRO 46 4.226 3.325 -5.648 320 2HG PRO 46 2HG PRO 46 4.354 3.716 -7.351 321 1HD PRO 46 1HD PRO 46 5.205 5.343 -5.148 322 2HD PRO 46 2HD PRO 46 5.226 5.782 -6.845 323 H TRP 47 H TRP 47 0.542 7.206 -4.602 324 HA TRP 47 HA TRP 47 0.920 6.922 -2.013 325 1HB TRP 47 1HB TRP 47 -1.555 7.212 -3.637 326 2HB TRP 47 2HB TRP 47 -1.751 6.861 -1.931 327 HD1 TRP 47 HD1 TRP 47 1.177 9.107 -3.014 328 HE1 TRP 47 HE1 TRP 47 0.845 11.589 -2.180 329 HE3 TRP 47 HE3 TRP 47 -3.586 8.468 -1.354 330 HZ2 TRP 47 HZ2 TRP 47 -1.324 12.975 -0.947 331 HZ3 TRP 47 HZ3 TRP 47 -4.740 10.436 -0.348 332 HH2 TRP 47 HH2 TRP 47 -3.685 12.630 -0.132 333 H CYS 48 H CYS 48 -1.020 4.594 -4.023 334 HA CYS 48 HA CYS 48 -0.964 2.735 -1.794 335 1HB CYS 48 1HB CYS 48 -3.044 3.304 -3.208 336 2HB CYS 48 2HB CYS 48 -2.326 2.289 -4.443 337 H PHE 49 H PHE 49 0.862 1.468 -1.685 338 HA PHE 49 HA PHE 49 1.856 0.389 -4.221 339 1HB PHE 49 1HB PHE 49 4.160 0.610 -3.011 340 2HB PHE 49 2HB PHE 49 3.441 2.109 -3.563 341 HD1 PHE 49 HD1 PHE 49 3.619 -0.064 -0.539 342 HD2 PHE 49 HD2 PHE 49 3.205 3.870 -2.074 343 HE1 PHE 49 HE1 PHE 49 3.752 0.859 1.791 344 HE2 PHE 49 HE2 PHE 49 3.338 4.793 0.256 345 HZ PHE 49 HZ PHE 49 3.610 3.276 2.161 346 H LYS 50 H LYS 50 3.237 -1.617 -3.878 347 HA LYS 50 HA LYS 50 1.822 -3.401 -2.205 348 1HB LYS 50 1HB LYS 50 4.328 -3.670 -3.882 349 2HB LYS 50 2HB LYS 50 3.643 -5.002 -2.973 350 1HG LYS 50 1HG LYS 50 1.419 -3.927 -4.313 351 2HG LYS 50 2HG LYS 50 2.708 -3.778 -5.491 352 1HD LYS 50 1HD LYS 50 3.067 -6.355 -4.370 353 2HD LYS 50 2HD LYS 50 1.331 -6.190 -4.545 354 1HE LYS 50 1HE LYS 50 2.332 -5.131 -6.953 355 2HE LYS 50 2HE LYS 50 3.399 -6.483 -6.628 356 1HZ LYS 50 1HZ LYS 50 0.516 -6.828 -6.361 357 2HZ LYS 50 2HZ LYS 50 1.206 -6.885 -7.840 358 3HZ LYS 50 3HZ LYS 50 1.659 -7.949 -6.687 359 HA PRO 51 HA PRO 51 4.191 -3.286 1.401 360 1HB PRO 51 1HB PRO 51 4.262 -5.886 2.238 361 2HB PRO 51 2HB PRO 51 2.868 -4.847 2.457 362 1HG PRO 51 1HG PRO 51 3.255 -7.043 0.517 363 2HG PRO 51 2HG PRO 51 1.761 -6.290 1.038 364 1HD PRO 51 1HD PRO 51 3.129 -5.853 -1.445 365 2HD PRO 51 2HD PRO 51 1.699 -5.015 -0.874 366 H LEU 52 H LEU 52 6.235 -2.649 1.581 367 HA LEU 52 HA LEU 52 8.245 -3.255 0.001 368 1HB LEU 52 1HB LEU 52 8.414 -1.694 1.823 369 2HB LEU 52 2HB LEU 52 8.348 -2.985 3.005 370 HG LEU 52 HG LEU 52 10.585 -2.559 1.003 371 1HD1 LEU 52 1HD1 LEU 52 10.212 -1.706 3.855 372 2HD1 LEU 52 2HD1 LEU 52 11.839 -2.103 3.253 373 3HD1 LEU 52 3HD1 LEU 52 10.892 -0.813 2.474 374 1HD2 LEU 52 1HD2 LEU 52 9.987 -4.721 2.965 375 2HD2 LEU 52 2HD2 LEU 52 10.792 -4.793 1.379 376 3HD2 LEU 52 3HD2 LEU 52 11.678 -4.192 2.801 377 H GLN 53 H GLN 53 9.341 -5.003 -0.725 378 HA GLN 53 HA GLN 53 8.623 -7.533 0.244 379 1HB GLN 53 1HB GLN 53 10.727 -8.134 -1.305 380 2HB GLN 53 2HB GLN 53 9.185 -7.662 -1.990 381 1HG GLN 53 1HG GLN 53 11.258 -6.450 -2.918 382 2HG GLN 53 2HG GLN 53 9.921 -5.429 -2.428 383 2HE2 GLN 53 2HE2 GLN 53 10.490 -3.708 -1.362 384 1HE2 GLN 53 1HE2 GLN 53 11.820 -3.534 -0.266 385 H GLU 54 H GLU 54 9.330 -6.547 2.572 386 HA GLU 54 HA GLU 54 11.792 -6.211 3.422 387 1HB GLU 54 1HB GLU 54 11.059 -6.849 5.566 388 2HB GLU 54 2HB GLU 54 9.560 -6.470 4.742 389 1HG GLU 54 1HG GLU 54 9.035 -8.544 5.695 390 2HG GLU 54 2HG GLU 54 9.554 -9.034 4.094 391 H ALA 55 H ALA 55 13.731 -7.242 3.231 392 HA ALA 55 HA ALA 55 13.891 -10.078 3.552 393 1HB ALA 55 1HB ALA 55 13.322 -10.306 1.294 394 2HB ALA 55 2HB ALA 55 14.129 -8.787 0.833 395 3HB ALA 55 3HB ALA 55 15.099 -10.226 1.229 396 H GLU 56 H GLU 56 16.098 -10.762 3.891 397 HA GLU 56 HA GLU 56 17.638 -8.860 5.137 398 1HB GLU 56 1HB GLU 56 18.207 -11.648 4.093 399 2HB GLU 56 2HB GLU 56 19.486 -10.706 4.834 400 1HG GLU 56 1HG GLU 56 17.312 -10.398 6.603 401 2HG GLU 56 2HG GLU 56 17.204 -12.073 6.098 402 H CYS 57 H CYS 57 18.347 -10.563 1.993 403 HA CYS 57 HA CYS 57 19.007 -8.238 0.637 404 1HB CYS 57 1HB CYS 57 21.205 -9.384 2.239 405 2HB CYS 57 2HB CYS 57 21.596 -9.095 0.555 406 H THR 58 H THR 58 18.368 -8.971 -1.359 407 HA THR 58 HA THR 58 18.206 -11.687 -2.013 408 HB THR 58 HB THR 58 17.787 -10.688 -4.335 409 HG1 THR 58 HG1 THR 58 19.279 -8.874 -3.991 410 1HG2 THR 58 1HG2 THR 58 15.935 -10.765 -2.579 411 2HG2 THR 58 2HG2 THR 58 16.427 -9.129 -2.077 412 3HG2 THR 58 3HG2 THR 58 15.791 -9.403 -3.717 413 H PHE 59 H PHE 59 19.550 -13.151 -2.913 414 HA PHE 59 HA PHE 59 21.539 -14.039 -3.360 415 1HB PHE 59 1HB PHE 59 20.751 -11.990 -5.322 416 2HB PHE 59 2HB PHE 59 22.499 -12.105 -5.275 417 HD1 PHE 59 HD1 PHE 59 19.766 -14.648 -5.044 418 HD2 PHE 59 HD2 PHE 59 23.267 -13.342 -7.055 419 HE1 PHE 59 HE1 PHE 59 19.672 -16.674 -6.524 420 HE2 PHE 59 HE2 PHE 59 23.173 -15.367 -8.534 421 HZ PHE 59 HZ PHE 59 21.377 -17.009 -8.251 No H/Q in entry = 421 Start of MODEL 43 1 H GLU 1 H GLU 1 10.164 -12.889 15.144 2 HA GLU 1 HA GLU 1 10.107 -14.715 16.395 3 1HB GLU 1 1HB GLU 1 8.729 -12.974 18.479 4 2HB GLU 1 2HB GLU 1 8.968 -14.696 18.699 5 1HG GLU 1 1HG GLU 1 11.495 -14.154 18.098 6 2HG GLU 1 2HG GLU 1 11.057 -12.508 18.511 7 H GLU 2 H GLU 2 7.131 -12.663 16.402 8 HA GLU 2 HA GLU 2 5.777 -14.643 14.907 9 1HB GLU 2 1HB GLU 2 5.227 -14.358 17.852 10 2HB GLU 2 2HB GLU 2 3.853 -14.597 16.790 11 1HG GLU 2 1HG GLU 2 5.337 -16.555 15.770 12 2HG GLU 2 2HG GLU 2 6.201 -16.444 17.291 13 H TYR 3 H TYR 3 6.211 -12.334 13.854 14 HA TYR 3 HA TYR 3 3.734 -11.117 13.524 15 1HB TYR 3 1HB TYR 3 4.973 -10.396 15.931 16 2HB TYR 3 2HB TYR 3 5.617 -9.175 14.853 17 HD1 TYR 3 HD1 TYR 3 3.017 -9.115 13.074 18 HD2 TYR 3 HD2 TYR 3 3.733 -8.810 17.281 19 HE1 TYR 3 HE1 TYR 3 0.885 -7.757 13.346 20 HE2 TYR 3 HE2 TYR 3 1.599 -7.452 17.538 21 HH TYR 3 HH TYR 3 -0.772 -7.402 15.398 22 H VAL 4 H VAL 4 4.988 -8.360 13.199 23 HA VAL 4 HA VAL 4 6.177 -7.205 11.726 24 HB VAL 4 HB VAL 4 7.602 -9.755 10.963 25 1HG1 VAL 4 1HG1 VAL 4 7.760 -7.276 9.828 26 2HG1 VAL 4 2HG1 VAL 4 9.042 -7.176 11.059 27 3HG1 VAL 4 3HG1 VAL 4 9.079 -8.471 9.838 28 1HG2 VAL 4 1HG2 VAL 4 7.602 -9.410 13.441 29 2HG2 VAL 4 2HG2 VAL 4 9.219 -9.329 12.702 30 3HG2 VAL 4 3HG2 VAL 4 8.382 -7.832 13.178 31 H GLY 5 H GLY 5 3.608 -8.024 11.124 32 1HA GLY 5 1HA GLY 5 2.831 -9.446 9.074 33 2HA GLY 5 2HA GLY 5 3.783 -8.258 8.207 34 H LEU 6 H LEU 6 2.992 -6.323 10.618 35 HA LEU 6 HA LEU 6 0.230 -5.846 9.784 36 1HB LEU 6 1HB LEU 6 -0.149 -4.879 11.807 37 2HB LEU 6 2HB LEU 6 1.032 -6.102 12.233 38 HG LEU 6 HG LEU 6 1.884 -3.274 11.628 39 1HD1 LEU 6 1HD1 LEU 6 0.123 -3.134 13.330 40 2HD1 LEU 6 2HD1 LEU 6 0.998 -4.316 14.332 41 3HD1 LEU 6 3HD1 LEU 6 1.723 -2.726 13.996 42 1HD2 LEU 6 1HD2 LEU 6 3.117 -5.707 12.822 43 2HD2 LEU 6 2HD2 LEU 6 3.818 -4.459 11.763 44 3HD2 LEU 6 3HD2 LEU 6 3.586 -4.128 13.497 45 H SER 7 H SER 7 -0.420 -3.541 9.398 46 HA SER 7 HA SER 7 0.939 -2.468 7.351 47 1HB SER 7 1HB SER 7 -0.329 -0.377 7.787 48 2HB SER 7 2HB SER 7 -1.340 -1.797 7.962 49 HG SER 7 HG SER 7 -0.504 -1.529 10.386 50 H ALA 8 H ALA 8 1.875 -0.030 7.402 51 HA ALA 8 HA ALA 8 3.339 1.463 8.214 52 1HB ALA 8 1HB ALA 8 3.962 1.535 10.467 53 2HB ALA 8 2HB ALA 8 2.411 0.664 10.536 54 3HB ALA 8 3HB ALA 8 3.943 -0.237 10.635 55 H ASN 9 H ASN 9 4.603 -1.684 9.517 56 HA ASN 9 HA ASN 9 7.139 -1.272 8.566 57 1HB ASN 9 1HB ASN 9 6.444 -2.999 10.278 58 2HB ASN 9 2HB ASN 9 5.704 -3.946 9.003 59 2HD2 ASN 9 2HD2 ASN 9 7.840 -4.669 10.798 60 1HD2 ASN 9 1HD2 ASN 9 9.228 -5.077 9.844 61 H GLN 10 H GLN 10 4.448 -3.363 7.260 62 HA GLN 10 HA GLN 10 5.820 -4.129 4.979 63 1HB GLN 10 1HB GLN 10 3.481 -4.705 4.128 64 2HB GLN 10 2HB GLN 10 3.929 -5.424 5.662 65 1HG GLN 10 1HG GLN 10 2.483 -4.056 6.895 66 2HG GLN 10 2HG GLN 10 2.561 -2.741 5.740 67 2HE2 GLN 10 2HE2 GLN 10 1.834 -6.215 5.440 68 1HE2 GLN 10 1HE2 GLN 10 0.279 -6.051 4.694 69 H CYS 11 H CYS 11 4.103 -1.176 5.836 70 HA CYS 11 HA CYS 11 4.322 -0.306 3.047 71 1HB CYS 11 1HB CYS 11 2.623 1.161 5.015 72 2HB CYS 11 2HB CYS 11 2.464 1.025 3.275 73 H ALA 12 H ALA 12 6.660 -0.386 4.565 74 HA ALA 12 HA ALA 12 6.993 2.416 5.395 75 1HB ALA 12 1HB ALA 12 9.087 0.649 6.329 76 2HB ALA 12 2HB ALA 12 7.496 -0.003 6.789 77 3HB ALA 12 3HB ALA 12 7.956 1.647 7.273 78 H VAL 13 H VAL 13 7.016 1.964 2.689 79 HA VAL 13 HA VAL 13 9.752 1.414 1.906 80 HB VAL 13 HB VAL 13 7.784 2.390 -0.066 81 1HG1 VAL 13 1HG1 VAL 13 10.046 0.517 0.122 82 2HG1 VAL 13 2HG1 VAL 13 8.695 -0.079 -0.871 83 3HG1 VAL 13 3HG1 VAL 13 9.463 1.481 -1.256 84 1HG2 VAL 13 1HG2 VAL 13 7.260 -0.020 1.661 85 2HG2 VAL 13 2HG2 VAL 13 6.129 1.226 1.079 86 3HG2 VAL 13 3HG2 VAL 13 6.750 -0.008 -0.044 87 HA PRO 14 HA PRO 14 10.873 5.585 1.753 88 1HB PRO 14 1HB PRO 14 12.933 5.519 -0.042 89 2HB PRO 14 2HB PRO 14 13.111 5.054 1.638 90 1HG PRO 14 1HG PRO 14 12.966 3.327 -0.756 91 2HG PRO 14 2HG PRO 14 13.559 2.935 0.845 92 1HD PRO 14 1HD PRO 14 11.035 2.174 -0.285 93 2HD PRO 14 2HD PRO 14 11.579 1.882 1.355 94 H ALA 15 H ALA 15 9.127 4.176 -0.553 95 HA ALA 15 HA ALA 15 7.706 5.185 -1.977 96 1HB ALA 15 1HB ALA 15 8.658 7.397 -0.653 97 2HB ALA 15 2HB ALA 15 7.464 7.443 -1.972 98 3HB ALA 15 3HB ALA 15 9.186 7.727 -2.321 99 H LYS 16 H LYS 16 11.230 5.287 -2.232 100 HA LYS 16 HA LYS 16 11.115 5.398 -5.124 101 1HB LYS 16 1HB LYS 16 13.535 5.483 -5.006 102 2HB LYS 16 2HB LYS 16 12.838 6.664 -3.916 103 1HG LYS 16 1HG LYS 16 14.433 5.694 -2.515 104 2HG LYS 16 2HG LYS 16 13.033 4.718 -2.118 105 1HD LYS 16 1HD LYS 16 13.767 2.899 -3.526 106 2HD LYS 16 2HD LYS 16 14.966 3.898 -4.323 107 1HE LYS 16 1HE LYS 16 15.634 4.084 -1.584 108 2HE LYS 16 2HE LYS 16 15.171 2.407 -1.794 109 1HZ LYS 16 1HZ LYS 16 16.661 2.564 -3.853 110 2HZ LYS 16 2HZ LYS 16 17.305 3.876 -3.124 111 3HZ LYS 16 3HZ LYS 16 17.362 2.421 -2.386 112 H ASP 17 H ASP 17 10.154 3.118 -3.097 113 HA ASP 17 HA ASP 17 11.318 1.030 -4.754 114 1HB ASP 17 1HB ASP 17 11.677 1.383 -1.929 115 2HB ASP 17 2HB ASP 17 10.598 0.016 -2.126 116 H ARG 18 H ARG 18 8.702 2.703 -4.551 117 HA ARG 18 HA ARG 18 6.769 0.883 -3.594 118 1HB ARG 18 1HB ARG 18 6.244 3.225 -5.475 119 2HB ARG 18 2HB ARG 18 5.150 2.542 -4.288 120 1HG ARG 18 1HG ARG 18 7.796 3.669 -3.349 121 2HG ARG 18 2HG ARG 18 6.506 4.780 -3.764 122 1HD ARG 18 1HD ARG 18 5.181 2.878 -2.198 123 2HD ARG 18 2HD ARG 18 6.752 2.975 -1.427 124 HE ARG 18 HE ARG 18 5.471 5.567 -2.062 125 1HH1 ARG 18 1HH1 ARG 18 6.115 3.096 0.360 126 2HH1 ARG 18 2HH1 ARG 18 5.781 4.141 1.700 127 1HH2 ARG 18 1HH2 ARG 18 5.030 6.946 -0.294 128 2HH2 ARG 18 2HH2 ARG 18 5.160 6.346 1.326 129 H VAL 19 H VAL 19 5.599 -0.671 -4.749 130 HA VAL 19 HA VAL 19 6.476 -1.138 -7.472 131 HB VAL 19 HB VAL 19 4.676 -2.740 -5.643 132 1HG1 VAL 19 1HG1 VAL 19 6.012 -3.413 -8.283 133 2HG1 VAL 19 2HG1 VAL 19 5.279 -4.619 -7.198 134 3HG1 VAL 19 3HG1 VAL 19 4.268 -3.351 -7.931 135 1HG2 VAL 19 1HG2 VAL 19 7.417 -2.260 -5.374 136 2HG2 VAL 19 2HG2 VAL 19 6.480 -3.569 -4.614 137 3HG2 VAL 19 3HG2 VAL 19 7.316 -3.854 -6.159 138 H ASP 20 H ASP 20 4.143 0.733 -5.938 139 HA ASP 20 HA ASP 20 2.269 1.648 -6.535 140 1HB ASP 20 1HB ASP 20 3.392 2.591 -8.414 141 2HB ASP 20 2HB ASP 20 3.505 1.048 -9.238 142 H CYS 21 H CYS 21 0.529 0.349 -5.843 143 HA CYS 21 HA CYS 21 0.019 -2.180 -6.980 144 1HB CYS 21 1HB CYS 21 -0.760 -0.781 -4.692 145 2HB CYS 21 2HB CYS 21 -2.247 -1.000 -5.594 146 H GLY 22 H GLY 22 -0.441 1.004 -8.084 147 1HA GLY 22 1HA GLY 22 -1.718 0.360 -10.431 148 2HA GLY 22 2HA GLY 22 -1.686 1.952 -9.700 149 H TYR 23 H TYR 23 -3.380 2.503 -8.061 150 HA TYR 23 HA TYR 23 -5.899 1.297 -8.861 151 1HB TYR 23 1HB TYR 23 -4.560 0.400 -6.610 152 2HB TYR 23 2HB TYR 23 -5.369 1.791 -5.917 153 HD1 TYR 23 HD1 TYR 23 -6.450 -0.817 -8.401 154 HD2 TYR 23 HD2 TYR 23 -7.189 1.111 -4.654 155 HE1 TYR 23 HE1 TYR 23 -8.568 -2.191 -8.103 156 HE2 TYR 23 HE2 TYR 23 -9.305 -0.269 -4.369 157 HH TYR 23 HH TYR 23 -10.383 -2.465 -6.931 158 HA PRO 24 HA PRO 24 -7.062 5.453 -8.475 159 1HB PRO 24 1HB PRO 24 -9.776 5.205 -8.681 160 2HB PRO 24 2HB PRO 24 -8.706 5.208 -10.069 161 1HG PRO 24 1HG PRO 24 -10.109 2.928 -8.816 162 2HG PRO 24 2HG PRO 24 -9.397 3.035 -10.414 163 1HD PRO 24 1HD PRO 24 -8.298 1.689 -8.132 164 2HD PRO 24 2HD PRO 24 -7.534 1.895 -9.695 165 H HIS 25 H HIS 25 -9.815 3.953 -6.904 166 HA HIS 25 HA HIS 25 -9.764 5.826 -4.840 167 1HB HIS 25 1HB HIS 25 -11.743 4.929 -4.323 168 2HB HIS 25 2HB HIS 25 -11.547 3.991 -5.790 169 HD1 HIS 25 HD1 HIS 25 -12.103 3.614 -2.221 170 HD2 HIS 25 HD2 HIS 25 -10.275 1.332 -5.229 171 HE1 HIS 25 HE1 HIS 25 -11.941 1.234 -1.314 172 HE2 HIS 25 HE2 HIS 25 -10.860 -0.133 -3.227 173 H VAL 26 H VAL 26 -7.786 5.995 -3.770 174 HA VAL 26 HA VAL 26 -7.051 3.604 -2.232 175 HB VAL 26 HB VAL 26 -4.693 4.346 -2.460 176 1HG1 VAL 26 1HG1 VAL 26 -6.302 3.494 -4.865 177 2HG1 VAL 26 2HG1 VAL 26 -4.536 3.691 -4.966 178 3HG1 VAL 26 3HG1 VAL 26 -5.238 2.524 -3.819 179 1HG2 VAL 26 1HG2 VAL 26 -5.828 6.683 -3.509 180 2HG2 VAL 26 2HG2 VAL 26 -4.100 6.263 -3.443 181 3HG2 VAL 26 3HG2 VAL 26 -5.053 5.885 -4.898 182 H THR 27 H THR 27 -7.090 3.938 -0.067 183 HA THR 27 HA THR 27 -6.593 6.648 0.911 184 HB THR 27 HB THR 27 -8.701 6.874 1.875 185 HG1 THR 27 HG1 THR 27 -9.067 5.136 3.196 186 1HG2 THR 27 1HG2 THR 27 -9.293 4.721 -0.224 187 2HG2 THR 27 2HG2 THR 27 -10.507 5.779 0.534 188 3HG2 THR 27 3HG2 THR 27 -9.260 6.474 -0.529 189 HA PRO 28 HA PRO 28 -4.618 4.658 4.168 190 1HB PRO 28 1HB PRO 28 -5.347 5.997 6.437 191 2HB PRO 28 2HB PRO 28 -4.168 6.614 5.297 192 1HG PRO 28 1HG PRO 28 -6.969 7.465 5.709 193 2HG PRO 28 2HG PRO 28 -5.669 8.320 4.904 194 1HD PRO 28 1HD PRO 28 -7.842 6.928 3.652 195 2HD PRO 28 2HD PRO 28 -6.480 7.685 2.849 196 H LYS 29 H LYS 29 -6.980 3.327 3.327 197 HA LYS 29 HA LYS 29 -7.132 1.445 5.367 198 1HB LYS 29 1HB LYS 29 -8.425 3.499 6.354 199 2HB LYS 29 2HB LYS 29 -9.709 2.993 5.275 200 1HG LYS 29 1HG LYS 29 -8.788 0.601 6.511 201 2HG LYS 29 2HG LYS 29 -8.844 1.791 7.796 202 1HD LYS 29 1HD LYS 29 -11.206 1.862 5.991 203 2HD LYS 29 2HD LYS 29 -11.025 0.351 6.860 204 1HE LYS 29 1HE LYS 29 -11.624 1.299 8.847 205 2HE LYS 29 2HE LYS 29 -10.535 2.654 8.621 206 1HZ LYS 29 1HZ LYS 29 -12.493 3.085 6.813 207 2HZ LYS 29 2HZ LYS 29 -13.312 2.494 8.096 208 3HZ LYS 29 3HZ LYS 29 -12.365 3.813 8.269 209 H GLU 30 H GLU 30 -8.895 3.124 2.702 210 HA GLU 30 HA GLU 30 -10.160 0.749 1.869 211 1HB GLU 30 1HB GLU 30 -10.159 3.563 1.151 212 2HB GLU 30 2HB GLU 30 -10.036 2.597 -0.305 213 1HG GLU 30 1HG GLU 30 -12.363 2.702 -0.001 214 2HG GLU 30 2HG GLU 30 -11.978 1.165 0.748 215 H CYS 31 H CYS 31 -7.077 2.379 1.160 216 HA CYS 31 HA CYS 31 -6.572 0.777 -1.155 217 1HB CYS 31 1HB CYS 31 -5.545 2.813 -1.349 218 2HB CYS 31 2HB CYS 31 -5.130 2.907 0.351 219 H ASN 32 H ASN 32 -6.101 0.660 2.348 220 HA ASN 32 HA ASN 32 -4.175 -1.470 2.083 221 1HB ASN 32 1HB ASN 32 -5.389 -0.464 4.692 222 2HB ASN 32 2HB ASN 32 -3.827 -1.223 4.456 223 2HD2 ASN 32 2HD2 ASN 32 -5.751 1.662 3.898 224 1HD2 ASN 32 1HD2 ASN 32 -4.449 2.786 3.700 225 H ASN 33 H ASN 33 -7.460 -1.170 1.798 226 HA ASN 33 HA ASN 33 -8.076 -3.484 3.432 227 1HB ASN 33 1HB ASN 33 -9.636 -1.610 3.686 228 2HB ASN 33 2HB ASN 33 -9.818 -1.452 1.950 229 2HD2 ASN 33 2HD2 ASN 33 -10.838 -3.153 0.761 230 1HD2 ASN 33 1HD2 ASN 33 -12.033 -4.166 1.499 231 H ARG 34 H ARG 34 -8.133 -2.145 0.078 232 HA ARG 34 HA ARG 34 -9.420 -4.235 -1.141 233 1HB ARG 34 1HB ARG 34 -8.442 -1.845 -1.982 234 2HB ARG 34 2HB ARG 34 -7.163 -2.870 -2.602 235 1HG ARG 34 1HG ARG 34 -9.045 -2.477 -4.248 236 2HG ARG 34 2HG ARG 34 -8.723 -4.170 -3.933 237 1HD ARG 34 1HD ARG 34 -10.715 -2.949 -2.084 238 2HD ARG 34 2HD ARG 34 -11.221 -2.980 -3.762 239 HE ARG 34 HE ARG 34 -10.971 -5.268 -2.006 240 1HH1 ARG 34 1HH1 ARG 34 -10.624 -4.283 -5.366 241 2HH1 ARG 34 2HH1 ARG 34 -10.927 -5.869 -5.995 242 1HH2 ARG 34 1HH2 ARG 34 -11.370 -7.360 -2.835 243 2HH2 ARG 34 2HH2 ARG 34 -11.354 -7.630 -4.546 244 H GLY 35 H GLY 35 -6.179 -3.973 0.184 245 1HA GLY 35 1HA GLY 35 -5.507 -6.609 -0.982 246 2HA GLY 35 2HA GLY 35 -5.080 -6.086 0.636 247 H CYS 36 H CYS 36 -3.642 -4.086 0.822 248 HA CYS 36 HA CYS 36 -1.318 -4.464 -0.571 249 1HB CYS 36 1HB CYS 36 -3.106 -3.276 -2.299 250 2HB CYS 36 2HB CYS 36 -2.231 -1.898 -1.662 251 H CYS 37 H CYS 37 -0.600 -1.542 -0.685 252 HA CYS 37 HA CYS 37 -0.976 -0.882 2.143 253 1HB CYS 37 1HB CYS 37 1.553 -1.034 0.550 254 2HB CYS 37 2HB CYS 37 1.414 0.175 1.810 255 H PHE 38 H PHE 38 -1.051 1.442 2.569 256 HA PHE 38 HA PHE 38 -1.514 3.002 0.125 257 1HB PHE 38 1HB PHE 38 -3.561 2.609 1.477 258 2HB PHE 38 2HB PHE 38 -2.718 3.035 2.953 259 HD1 PHE 38 HD1 PHE 38 -4.048 4.404 -0.213 260 HD2 PHE 38 HD2 PHE 38 -2.559 5.290 3.661 261 HE1 PHE 38 HE1 PHE 38 -4.809 6.782 -0.465 262 HE2 PHE 38 HE2 PHE 38 -3.320 7.669 3.408 263 HZ PHE 38 HZ PHE 38 -4.436 8.387 1.349 264 H ASP 39 H ASP 39 -1.383 5.514 0.733 265 HA ASP 39 HA ASP 39 0.267 6.304 2.786 266 1HB ASP 39 1HB ASP 39 2.103 5.137 1.723 267 2HB ASP 39 2HB ASP 39 1.663 5.743 0.139 268 H SER 40 H SER 40 0.433 8.653 2.744 269 HA SER 40 HA SER 40 -0.521 9.899 0.300 270 1HB SER 40 1HB SER 40 -2.044 11.352 1.550 271 2HB SER 40 2HB SER 40 -2.454 9.675 1.851 272 HG SER 40 HG SER 40 -0.797 11.287 3.599 273 H ARG 41 H ARG 41 2.087 9.499 1.997 274 HA ARG 41 HA ARG 41 2.719 11.945 3.116 275 1HB ARG 41 1HB ARG 41 3.924 9.523 3.079 276 2HB ARG 41 2HB ARG 41 4.875 10.278 1.816 277 1HG ARG 41 1HG ARG 41 4.631 12.161 3.996 278 2HG ARG 41 2HG ARG 41 5.113 10.615 4.667 279 1HD ARG 41 1HD ARG 41 6.983 10.486 2.987 280 2HD ARG 41 2HD ARG 41 6.513 12.052 2.358 281 HE ARG 41 HE ARG 41 7.519 13.075 4.209 282 1HH1 ARG 41 1HH1 ARG 41 7.026 9.660 4.904 283 2HH1 ARG 41 2HH1 ARG 41 7.914 9.703 6.390 284 1HH2 ARG 41 1HH2 ARG 41 8.691 13.132 6.170 285 2HH2 ARG 41 2HH2 ARG 41 8.868 11.691 7.115 286 H ILE 42 H ILE 42 3.340 10.546 -0.173 287 HA ILE 42 HA ILE 42 3.576 13.266 -1.184 288 HB ILE 42 HB ILE 42 5.523 11.977 -2.613 289 1HG1 ILE 42 1HG1 ILE 42 7.072 11.019 -0.922 290 2HG1 ILE 42 2HG1 ILE 42 5.802 11.119 0.282 291 1HG2 ILE 42 1HG2 ILE 42 5.743 13.794 -0.201 292 2HG2 ILE 42 2HG2 ILE 42 7.096 13.402 -1.289 293 3HG2 ILE 42 3HG2 ILE 42 5.669 14.261 -1.918 294 1HD1 ILE 42 1HD1 ILE 42 4.901 9.798 -2.201 295 2HD1 ILE 42 2HD1 ILE 42 6.254 8.956 -1.410 296 3HD1 ILE 42 3HD1 ILE 42 4.749 9.262 -0.511 297 HA PRO 43 HA PRO 43 1.021 11.388 -4.140 298 1HB PRO 43 1HB PRO 43 0.723 13.514 -5.831 299 2HB PRO 43 2HB PRO 43 -0.228 13.308 -4.374 300 1HG PRO 43 1HG PRO 43 2.020 15.162 -4.873 301 2HG PRO 43 2HG PRO 43 0.803 15.227 -3.614 302 1HD PRO 43 1HD PRO 43 3.525 14.369 -3.328 303 2HD PRO 43 2HD PRO 43 2.277 14.324 -2.098 304 H GLY 44 H GLY 44 3.894 13.104 -5.161 305 1HA GLY 44 1HA GLY 44 5.514 12.394 -6.579 306 2HA GLY 44 2HA GLY 44 4.193 12.394 -7.731 307 H VAL 45 H VAL 45 4.714 10.231 -4.872 308 HA VAL 45 HA VAL 45 5.346 8.035 -6.659 309 HB VAL 45 HB VAL 45 6.262 7.020 -4.857 310 1HG1 VAL 45 1HG1 VAL 45 7.170 9.391 -5.091 311 2HG1 VAL 45 2HG1 VAL 45 6.202 9.798 -3.654 312 3HG1 VAL 45 3HG1 VAL 45 7.485 8.570 -3.544 313 1HG2 VAL 45 1HG2 VAL 45 4.066 8.292 -3.211 314 2HG2 VAL 45 2HG2 VAL 45 4.360 6.567 -3.537 315 3HG2 VAL 45 3HG2 VAL 45 5.455 7.469 -2.463 316 HA PRO 46 HA PRO 46 1.455 6.161 -6.415 317 1HB PRO 46 1HB PRO 46 1.945 3.504 -6.006 318 2HB PRO 46 2HB PRO 46 2.127 4.283 -7.565 319 1HG PRO 46 1HG PRO 46 4.224 3.411 -5.673 320 2HG PRO 46 2HG PRO 46 4.372 3.789 -7.378 321 1HD PRO 46 1HD PRO 46 5.166 5.448 -5.177 322 2HD PRO 46 2HD PRO 46 5.207 5.872 -6.876 323 H TRP 47 H TRP 47 0.468 7.246 -4.715 324 HA TRP 47 HA TRP 47 0.821 6.975 -2.115 325 1HB TRP 47 1HB TRP 47 -1.616 7.285 -3.783 326 2HB TRP 47 2HB TRP 47 -1.862 6.899 -2.092 327 HD1 TRP 47 HD1 TRP 47 1.066 9.190 -3.126 328 HE1 TRP 47 HE1 TRP 47 0.722 11.645 -2.221 329 HE3 TRP 47 HE3 TRP 47 -3.669 8.461 -1.421 330 HZ2 TRP 47 HZ2 TRP 47 -1.443 12.976 -0.922 331 HZ3 TRP 47 HZ3 TRP 47 -4.827 10.390 -0.347 332 HH2 TRP 47 HH2 TRP 47 -3.790 12.588 -0.086 333 H CYS 48 H CYS 48 -1.138 4.659 -4.125 334 HA CYS 48 HA CYS 48 -1.074 2.794 -1.902 335 1HB CYS 48 1HB CYS 48 -3.168 3.373 -3.273 336 2HB CYS 48 2HB CYS 48 -2.469 2.387 -4.542 337 H PHE 49 H PHE 49 0.712 1.474 -1.810 338 HA PHE 49 HA PHE 49 1.694 0.421 -4.362 339 1HB PHE 49 1HB PHE 49 3.999 0.582 -3.127 340 2HB PHE 49 2HB PHE 49 3.315 2.094 -3.690 341 HD1 PHE 49 HD1 PHE 49 3.389 -0.078 -0.658 342 HD2 PHE 49 HD2 PHE 49 3.131 3.864 -2.208 343 HE1 PHE 49 HE1 PHE 49 3.517 0.847 1.672 344 HE2 PHE 49 HE2 PHE 49 3.259 4.789 0.122 345 HZ PHE 49 HZ PHE 49 3.450 3.269 2.034 346 H LYS 50 H LYS 50 3.205 -1.553 -3.932 347 HA LYS 50 HA LYS 50 1.706 -3.371 -2.333 348 1HB LYS 50 1HB LYS 50 4.356 -3.829 -3.730 349 2HB LYS 50 2HB LYS 50 3.206 -5.044 -3.209 350 1HG LYS 50 1HG LYS 50 1.489 -4.018 -4.768 351 2HG LYS 50 2HG LYS 50 2.720 -2.913 -5.343 352 1HD LYS 50 1HD LYS 50 3.023 -4.565 -6.926 353 2HD LYS 50 2HD LYS 50 4.090 -5.217 -5.698 354 1HE LYS 50 1HE LYS 50 2.518 -6.849 -5.000 355 2HE LYS 50 2HE LYS 50 1.153 -5.957 -5.641 356 1HZ LYS 50 1HZ LYS 50 3.077 -6.690 -7.617 357 2HZ LYS 50 2HZ LYS 50 2.373 -7.971 -6.888 358 3HZ LYS 50 3HZ LYS 50 1.452 -6.849 -7.637 359 HA PRO 51 HA PRO 51 4.044 -3.303 1.294 360 1HB PRO 51 1HB PRO 51 4.120 -5.914 2.096 361 2HB PRO 51 2HB PRO 51 2.719 -4.884 2.317 362 1HG PRO 51 1HG PRO 51 3.134 -7.052 0.351 363 2HG PRO 51 2HG PRO 51 1.632 -6.312 0.868 364 1HD PRO 51 1HD PRO 51 3.020 -5.835 -1.596 365 2HD PRO 51 2HD PRO 51 1.582 -5.012 -1.026 366 H LEU 52 H LEU 52 6.091 -2.761 1.675 367 HA LEU 52 HA LEU 52 8.133 -3.249 0.073 368 1HB LEU 52 1HB LEU 52 8.324 -1.813 1.962 369 2HB LEU 52 2HB LEU 52 8.118 -3.143 3.085 370 HG LEU 52 HG LEU 52 10.490 -2.798 1.230 371 1HD1 LEU 52 1HD1 LEU 52 9.867 -1.508 3.717 372 2HD1 LEU 52 2HD1 LEU 52 11.266 -2.586 3.940 373 3HD1 LEU 52 3HD1 LEU 52 11.302 -1.330 2.679 374 1HD2 LEU 52 1HD2 LEU 52 9.593 -4.984 2.983 375 2HD2 LEU 52 2HD2 LEU 52 10.729 -4.993 1.613 376 3HD2 LEU 52 3HD2 LEU 52 11.284 -4.486 3.227 377 H GLN 53 H GLN 53 9.496 -4.882 -0.564 378 HA GLN 53 HA GLN 53 8.641 -7.488 -0.113 379 1HB GLN 53 1HB GLN 53 10.857 -6.133 -1.559 380 2HB GLN 53 2HB GLN 53 11.218 -7.775 -1.064 381 1HG GLN 53 1HG GLN 53 10.055 -8.480 -2.881 382 2HG GLN 53 2HG GLN 53 8.596 -7.959 -2.062 383 2HE2 GLN 53 2HE2 GLN 53 8.506 -5.368 -2.081 384 1HE2 GLN 53 1HE2 GLN 53 8.582 -4.672 -3.665 385 H GLU 54 H GLU 54 8.567 -7.513 2.296 386 HA GLU 54 HA GLU 54 10.614 -7.080 3.964 387 1HB GLU 54 1HB GLU 54 9.429 -8.345 5.548 388 2HB GLU 54 2HB GLU 54 8.178 -7.919 4.398 389 1HG GLU 54 1HG GLU 54 8.717 -10.170 3.216 390 2HG GLU 54 2HG GLU 54 9.644 -10.578 4.646 391 H ALA 55 H ALA 55 12.682 -7.823 4.131 392 HA ALA 55 HA ALA 55 13.266 -10.591 3.892 393 1HB ALA 55 1HB ALA 55 13.338 -10.488 1.588 394 2HB ALA 55 2HB ALA 55 14.997 -9.955 1.955 395 3HB ALA 55 3HB ALA 55 13.741 -8.754 1.568 396 H GLU 56 H GLU 56 14.861 -7.366 3.327 397 HA GLU 56 HA GLU 56 16.607 -8.075 5.556 398 1HB GLU 56 1HB GLU 56 18.402 -6.808 4.459 399 2HB GLU 56 2HB GLU 56 17.806 -8.055 3.382 400 1HG GLU 56 1HG GLU 56 16.614 -5.269 3.254 401 2HG GLU 56 2HG GLU 56 18.152 -5.591 2.476 402 H CYS 57 H CYS 57 17.749 -5.836 6.362 403 HA CYS 57 HA CYS 57 15.483 -4.068 6.886 404 1HB CYS 57 1HB CYS 57 18.062 -4.353 8.441 405 2HB CYS 57 2HB CYS 57 16.689 -3.355 8.874 406 H THR 58 H THR 58 15.637 -2.758 4.981 407 HA THR 58 HA THR 58 17.978 -1.799 3.865 408 HB THR 58 HB THR 58 15.605 -1.760 2.926 409 HG1 THR 58 HG1 THR 58 16.456 -0.121 1.681 410 1HG2 THR 58 1HG2 THR 58 15.289 0.126 5.188 411 2HG2 THR 58 2HG2 THR 58 14.824 0.840 3.625 412 3HG2 THR 58 3HG2 THR 58 14.038 -0.654 4.190 413 H PHE 59 H PHE 59 18.628 0.596 3.771 414 HA PHE 59 HA PHE 59 19.891 1.328 5.988 415 1HB PHE 59 1HB PHE 59 18.849 2.553 3.530 416 2HB PHE 59 2HB PHE 59 18.779 3.732 4.824 417 HD1 PHE 59 HD1 PHE 59 21.139 3.305 6.388 418 HD2 PHE 59 HD2 PHE 59 20.663 2.989 2.183 419 HE1 PHE 59 HE1 PHE 59 23.581 3.794 6.074 420 HE2 PHE 59 HE2 PHE 59 23.106 3.477 1.870 421 HZ PHE 59 HZ PHE 59 24.535 3.874 3.819 No H/Q in entry = 421 Start of MODEL 44 1 H GLU 1 H GLU 1 6.869 -16.578 18.157 2 HA GLU 1 HA GLU 1 8.979 -16.062 17.752 3 1HB GLU 1 1HB GLU 1 8.632 -18.729 18.058 4 2HB GLU 1 2HB GLU 1 9.392 -18.750 16.480 5 1HG GLU 1 1HG GLU 1 10.847 -16.886 18.141 6 2HG GLU 1 2HG GLU 1 10.635 -18.368 19.052 7 H GLU 2 H GLU 2 7.787 -14.701 15.817 8 HA GLU 2 HA GLU 2 9.673 -14.639 13.792 9 1HB GLU 2 1HB GLU 2 8.216 -16.733 13.175 10 2HB GLU 2 2HB GLU 2 6.998 -15.565 12.703 11 1HG GLU 2 1HG GLU 2 8.219 -14.804 10.883 12 2HG GLU 2 2HG GLU 2 9.763 -15.046 11.675 13 H TYR 3 H TYR 3 8.886 -13.043 11.955 14 HA TYR 3 HA TYR 3 7.291 -10.993 13.315 15 1HB TYR 3 1HB TYR 3 9.805 -10.954 12.202 16 2HB TYR 3 2HB TYR 3 8.881 -10.633 10.749 17 HD1 TYR 3 HD1 TYR 3 8.805 -9.440 14.317 18 HD2 TYR 3 HD2 TYR 3 8.770 -8.399 10.168 19 HE1 TYR 3 HE1 TYR 3 8.687 -6.975 14.929 20 HE2 TYR 3 HE2 TYR 3 8.651 -5.938 10.793 21 HH TYR 3 HH TYR 3 7.682 -4.822 13.534 22 H VAL 4 H VAL 4 5.739 -9.727 12.055 23 HA VAL 4 HA VAL 4 5.012 -10.557 9.448 24 HB VAL 4 HB VAL 4 4.180 -12.484 10.730 25 1HG1 VAL 4 1HG1 VAL 4 3.691 -10.950 12.796 26 2HG1 VAL 4 2HG1 VAL 4 2.103 -10.733 12.022 27 3HG1 VAL 4 3HG1 VAL 4 2.657 -12.363 12.475 28 1HG2 VAL 4 1HG2 VAL 4 2.327 -10.639 9.265 29 2HG2 VAL 4 2HG2 VAL 4 2.939 -12.246 8.807 30 3HG2 VAL 4 3HG2 VAL 4 1.656 -12.098 10.032 31 H GLY 5 H GLY 5 5.794 -8.110 10.420 32 1HA GLY 5 1HA GLY 5 5.166 -5.964 10.705 33 2HA GLY 5 2HA GLY 5 3.654 -6.519 11.396 34 H LEU 6 H LEU 6 1.784 -6.229 10.235 35 HA LEU 6 HA LEU 6 2.116 -5.702 7.363 36 1HB LEU 6 1HB LEU 6 -0.219 -6.491 7.142 37 2HB LEU 6 2HB LEU 6 0.929 -7.724 7.625 38 HG LEU 6 HG LEU 6 -0.057 -6.767 10.049 39 1HD1 LEU 6 1HD1 LEU 6 -1.835 -5.739 8.314 40 2HD1 LEU 6 2HD1 LEU 6 -2.549 -7.353 8.547 41 3HD1 LEU 6 3HD1 LEU 6 -2.266 -6.295 9.950 42 1HD2 LEU 6 1HD2 LEU 6 0.486 -9.117 9.286 43 2HD2 LEU 6 2HD2 LEU 6 -0.954 -8.942 10.319 44 3HD2 LEU 6 3HD2 LEU 6 -1.140 -9.167 8.563 45 H SER 7 H SER 7 2.685 -3.629 9.102 46 HA SER 7 HA SER 7 0.777 -1.762 8.270 47 1HB SER 7 1HB SER 7 -0.074 -1.014 10.453 48 2HB SER 7 2HB SER 7 -0.521 -2.684 10.168 49 HG SER 7 HG SER 7 0.268 -2.489 12.305 50 H ALA 8 H ALA 8 2.203 -0.167 7.685 51 HA ALA 8 HA ALA 8 3.667 1.500 8.013 52 1HB ALA 8 1HB ALA 8 4.425 2.087 10.118 53 2HB ALA 8 2HB ALA 8 4.688 0.398 10.615 54 3HB ALA 8 3HB ALA 8 3.038 1.064 10.566 55 H ASN 9 H ASN 9 5.140 -1.372 9.693 56 HA ASN 9 HA ASN 9 7.596 -1.094 8.570 57 1HB ASN 9 1HB ASN 9 6.137 -3.679 9.334 58 2HB ASN 9 2HB ASN 9 7.866 -3.567 9.078 59 2HD2 ASN 9 2HD2 ASN 9 5.623 -3.743 11.373 60 1HD2 ASN 9 1HD2 ASN 9 6.354 -2.866 12.675 61 H GLN 10 H GLN 10 4.719 -3.016 7.466 62 HA GLN 10 HA GLN 10 6.032 -4.066 5.219 63 1HB GLN 10 1HB GLN 10 3.755 -4.706 6.540 64 2HB GLN 10 2HB GLN 10 3.044 -3.782 5.232 65 1HG GLN 10 1HG GLN 10 3.155 -5.724 4.039 66 2HG GLN 10 2HG GLN 10 4.855 -5.346 3.846 67 2HE2 GLN 10 2HE2 GLN 10 3.015 -7.817 4.353 68 1HE2 GLN 10 1HE2 GLN 10 3.894 -8.760 5.509 69 H CYS 11 H CYS 11 4.208 -1.090 5.905 70 HA CYS 11 HA CYS 11 4.474 -0.374 3.077 71 1HB CYS 11 1HB CYS 11 2.686 1.183 4.872 72 2HB CYS 11 2HB CYS 11 2.544 0.837 3.160 73 H ALA 12 H ALA 12 6.787 -0.262 4.600 74 HA ALA 12 HA ALA 12 6.989 2.592 5.281 75 1HB ALA 12 1HB ALA 12 9.136 1.377 6.500 76 2HB ALA 12 2HB ALA 12 7.588 1.742 7.299 77 3HB ALA 12 3HB ALA 12 7.885 0.118 6.634 78 H VAL 13 H VAL 13 7.102 2.137 2.637 79 HA VAL 13 HA VAL 13 9.851 1.550 1.914 80 HB VAL 13 HB VAL 13 7.939 2.478 -0.127 81 1HG1 VAL 13 1HG1 VAL 13 10.182 0.613 0.170 82 2HG1 VAL 13 2HG1 VAL 13 8.841 -0.051 -0.795 83 3HG1 VAL 13 3HG1 VAL 13 9.600 1.489 -1.266 84 1HG2 VAL 13 1HG2 VAL 13 7.347 0.099 1.632 85 2HG2 VAL 13 2HG2 VAL 13 6.250 1.379 1.060 86 3HG2 VAL 13 3HG2 VAL 13 6.833 0.136 -0.072 87 HA PRO 14 HA PRO 14 10.978 5.713 1.662 88 1HB PRO 14 1HB PRO 14 13.028 5.616 -0.143 89 2HB PRO 14 2HB PRO 14 13.215 5.179 1.544 90 1HG PRO 14 1HG PRO 14 13.056 3.414 -0.822 91 2HG PRO 14 2HG PRO 14 13.656 3.047 0.782 92 1HD PRO 14 1HD PRO 14 11.125 2.270 -0.322 93 2HD PRO 14 2HD PRO 14 11.679 2.004 1.319 94 H ALA 15 H ALA 15 9.258 4.245 -0.650 95 HA ALA 15 HA ALA 15 7.818 5.238 -2.073 96 1HB ALA 15 1HB ALA 15 9.358 7.774 -2.380 97 2HB ALA 15 2HB ALA 15 7.607 7.513 -2.197 98 3HB ALA 15 3HB ALA 15 8.669 7.457 -0.770 99 H LYS 16 H LYS 16 11.343 5.356 -2.337 100 HA LYS 16 HA LYS 16 11.220 5.412 -5.230 101 1HB LYS 16 1HB LYS 16 13.644 5.501 -5.115 102 2HB LYS 16 2HB LYS 16 12.939 6.712 -4.064 103 1HG LYS 16 1HG LYS 16 14.475 5.817 -2.579 104 2HG LYS 16 2HG LYS 16 13.129 4.749 -2.238 105 1HD LYS 16 1HD LYS 16 14.419 2.985 -2.835 106 2HD LYS 16 2HD LYS 16 14.447 3.593 -4.478 107 1HE LYS 16 1HE LYS 16 16.560 4.523 -4.255 108 2HE LYS 16 2HE LYS 16 16.320 4.943 -2.571 109 1HZ LYS 16 1HZ LYS 16 16.701 2.193 -3.532 110 2HZ LYS 16 2HZ LYS 16 17.891 3.125 -2.912 111 3HZ LYS 16 3HZ LYS 16 16.633 2.676 -1.973 112 H ASP 17 H ASP 17 10.312 3.160 -3.124 113 HA ASP 17 HA ASP 17 11.484 1.049 -4.750 114 1HB ASP 17 1HB ASP 17 11.814 1.462 -1.931 115 2HB ASP 17 2HB ASP 17 10.741 0.088 -2.106 116 H ARG 18 H ARG 18 8.854 2.712 -4.597 117 HA ARG 18 HA ARG 18 6.922 0.901 -3.626 118 1HB ARG 18 1HB ARG 18 6.415 3.198 -5.568 119 2HB ARG 18 2HB ARG 18 5.299 2.530 -4.393 120 1HG ARG 18 1HG ARG 18 7.919 3.702 -3.429 121 2HG ARG 18 2HG ARG 18 6.615 4.786 -3.874 122 1HD ARG 18 1HD ARG 18 5.299 2.890 -2.299 123 2HD ARG 18 2HD ARG 18 6.860 3.008 -1.513 124 HE ARG 18 HE ARG 18 5.543 5.577 -2.186 125 1HH1 ARG 18 1HH1 ARG 18 6.263 3.158 0.267 126 2HH1 ARG 18 2HH1 ARG 18 5.925 4.219 1.594 127 1HH2 ARG 18 1HH2 ARG 18 5.096 6.976 -0.435 128 2HH2 ARG 18 2HH2 ARG 18 5.256 6.405 1.192 129 H VAL 19 H VAL 19 5.546 -0.513 -4.822 130 HA VAL 19 HA VAL 19 6.504 -1.061 -7.531 131 HB VAL 19 HB VAL 19 4.977 -2.684 -5.492 132 1HG1 VAL 19 1HG1 VAL 19 5.600 -3.300 -8.392 133 2HG1 VAL 19 2HG1 VAL 19 5.231 -4.560 -7.190 134 3HG1 VAL 19 3HG1 VAL 19 4.019 -3.314 -7.575 135 1HG2 VAL 19 1HG2 VAL 19 7.765 -2.872 -6.668 136 2HG2 VAL 19 2HG2 VAL 19 7.303 -2.617 -4.968 137 3HG2 VAL 19 3HG2 VAL 19 6.999 -4.189 -5.747 138 H ASP 20 H ASP 20 4.209 0.806 -6.010 139 HA ASP 20 HA ASP 20 2.251 1.602 -6.524 140 1HB ASP 20 1HB ASP 20 3.297 2.616 -8.408 141 2HB ASP 20 2HB ASP 20 3.471 1.090 -9.251 142 H CYS 21 H CYS 21 0.662 0.135 -5.757 143 HA CYS 21 HA CYS 21 0.209 -2.358 -6.982 144 1HB CYS 21 1HB CYS 21 -0.388 -1.291 -4.570 145 2HB CYS 21 2HB CYS 21 -1.948 -1.143 -5.353 146 H GLY 22 H GLY 22 -0.852 0.956 -7.531 147 1HA GLY 22 1HA GLY 22 -2.123 0.288 -9.979 148 2HA GLY 22 2HA GLY 22 -2.074 1.855 -9.198 149 H TYR 23 H TYR 23 -3.766 2.513 -7.766 150 HA TYR 23 HA TYR 23 -6.175 0.877 -8.054 151 1HB TYR 23 1HB TYR 23 -4.657 1.835 -5.603 152 2HB TYR 23 2HB TYR 23 -6.405 1.918 -5.512 153 HD1 TYR 23 HD1 TYR 23 -7.674 -0.316 -6.205 154 HD2 TYR 23 HD2 TYR 23 -3.592 -0.126 -4.939 155 HE1 TYR 23 HE1 TYR 23 -7.752 -2.774 -5.562 156 HE2 TYR 23 HE2 TYR 23 -3.683 -2.585 -4.301 157 HH TYR 23 HH TYR 23 -6.221 -4.609 -5.285 158 HA PRO 24 HA PRO 24 -7.946 4.747 -8.840 159 1HB PRO 24 1HB PRO 24 -10.594 4.193 -8.456 160 2HB PRO 24 2HB PRO 24 -9.734 3.787 -9.928 161 1HG PRO 24 1HG PRO 24 -10.597 2.004 -7.733 162 2HG PRO 24 2HG PRO 24 -10.131 1.584 -9.369 163 1HD PRO 24 1HD PRO 24 -8.544 1.273 -7.000 164 2HD PRO 24 2HD PRO 24 -8.038 0.963 -8.648 165 H HIS 25 H HIS 25 -10.112 3.603 -6.316 166 HA HIS 25 HA HIS 25 -9.696 6.140 -4.996 167 1HB HIS 25 1HB HIS 25 -11.653 5.662 -3.770 168 2HB HIS 25 2HB HIS 25 -11.971 5.148 -5.415 169 HD1 HIS 25 HD1 HIS 25 -13.490 4.022 -2.874 170 HD2 HIS 25 HD2 HIS 25 -10.288 2.149 -4.833 171 HE1 HIS 25 HE1 HIS 25 -13.670 1.538 -2.323 172 HE2 HIS 25 HE2 HIS 25 -11.709 0.431 -3.599 173 H VAL 26 H VAL 26 -7.503 5.871 -4.270 174 HA VAL 26 HA VAL 26 -7.062 3.682 -2.398 175 HB VAL 26 HB VAL 26 -4.714 4.485 -2.486 176 1HG1 VAL 26 1HG1 VAL 26 -6.025 3.844 -5.150 177 2HG1 VAL 26 2HG1 VAL 26 -4.282 3.724 -4.809 178 3HG1 VAL 26 3HG1 VAL 26 -5.432 2.677 -3.944 179 1HG2 VAL 26 1HG2 VAL 26 -5.891 6.803 -3.606 180 2HG2 VAL 26 2HG2 VAL 26 -4.164 6.475 -3.327 181 3HG2 VAL 26 3HG2 VAL 26 -4.907 6.062 -4.891 182 H THR 27 H THR 27 -7.076 3.953 -0.212 183 HA THR 27 HA THR 27 -6.761 6.655 0.843 184 HB THR 27 HB THR 27 -8.877 6.644 1.953 185 HG1 THR 27 HG1 THR 27 -10.006 4.585 2.152 186 1HG2 THR 27 1HG2 THR 27 -9.063 6.678 -0.674 187 2HG2 THR 27 2HG2 THR 27 -9.633 5.001 -0.496 188 3HG2 THR 27 3HG2 THR 27 -10.536 6.333 0.264 189 HA PRO 28 HA PRO 28 -4.752 4.643 4.059 190 1HB PRO 28 1HB PRO 28 -5.420 6.051 6.304 191 2HB PRO 28 2HB PRO 28 -4.235 6.610 5.139 192 1HG PRO 28 1HG PRO 28 -7.007 7.548 5.559 193 2HG PRO 28 2HG PRO 28 -5.692 8.349 4.722 194 1HD PRO 28 1HD PRO 28 -7.915 6.992 3.523 195 2HD PRO 28 2HD PRO 28 -6.541 7.691 2.690 196 H LYS 29 H LYS 29 -7.110 3.320 3.266 197 HA LYS 29 HA LYS 29 -7.313 1.520 5.373 198 1HB LYS 29 1HB LYS 29 -8.586 3.631 6.267 199 2HB LYS 29 2HB LYS 29 -9.867 3.099 5.197 200 1HG LYS 29 1HG LYS 29 -8.753 0.855 6.742 201 2HG LYS 29 2HG LYS 29 -9.335 2.131 7.793 202 1HD LYS 29 1HD LYS 29 -11.332 1.904 5.803 203 2HD LYS 29 2HD LYS 29 -10.865 0.248 6.137 204 1HE LYS 29 1HE LYS 29 -11.153 0.734 8.620 205 2HE LYS 29 2HE LYS 29 -11.770 2.319 8.194 206 1HZ LYS 29 1HZ LYS 29 -13.362 0.987 6.729 207 2HZ LYS 29 2HZ LYS 29 -12.962 -0.287 7.668 208 3HZ LYS 29 3HZ LYS 29 -13.643 1.038 8.337 209 H GLU 30 H GLU 30 -8.853 3.113 2.548 210 HA GLU 30 HA GLU 30 -10.189 0.715 1.812 211 1HB GLU 30 1HB GLU 30 -11.041 3.035 1.307 212 2HB GLU 30 2HB GLU 30 -9.715 3.249 0.182 213 1HG GLU 30 1HG GLU 30 -10.958 2.250 -1.427 214 2HG GLU 30 2HG GLU 30 -10.894 0.754 -0.515 215 H CYS 31 H CYS 31 -7.183 2.458 0.915 216 HA CYS 31 HA CYS 31 -6.620 0.812 -1.309 217 1HB CYS 31 1HB CYS 31 -5.536 2.813 -1.465 218 2HB CYS 31 2HB CYS 31 -5.186 2.901 0.249 219 H ASN 32 H ASN 32 -6.078 0.700 2.210 220 HA ASN 32 HA ASN 32 -4.201 -1.446 1.960 221 1HB ASN 32 1HB ASN 32 -5.578 -0.548 4.529 222 2HB ASN 32 2HB ASN 32 -4.001 -1.294 4.363 223 2HD2 ASN 32 2HD2 ASN 32 -5.900 1.606 3.867 224 1HD2 ASN 32 1HD2 ASN 32 -4.595 2.739 3.758 225 H ASN 33 H ASN 33 -7.562 -1.066 1.758 226 HA ASN 33 HA ASN 33 -8.133 -3.558 3.115 227 1HB ASN 33 1HB ASN 33 -9.679 -1.709 3.597 228 2HB ASN 33 2HB ASN 33 -9.917 -1.395 1.889 229 2HD2 ASN 33 2HD2 ASN 33 -11.318 -2.657 4.510 230 1HD2 ASN 33 1HD2 ASN 33 -12.365 -3.854 3.824 231 H ARG 34 H ARG 34 -8.261 -1.866 -0.073 232 HA ARG 34 HA ARG 34 -9.603 -3.744 -1.507 233 1HB ARG 34 1HB ARG 34 -8.394 -1.352 -2.076 234 2HB ARG 34 2HB ARG 34 -7.258 -2.437 -2.853 235 1HG ARG 34 1HG ARG 34 -8.966 -1.793 -4.480 236 2HG ARG 34 2HG ARG 34 -9.150 -3.498 -4.116 237 1HD ARG 34 1HD ARG 34 -11.012 -3.027 -2.574 238 2HD ARG 34 2HD ARG 34 -10.765 -1.299 -2.738 239 HE ARG 34 HE ARG 34 -11.160 -2.411 -5.349 240 1HH1 ARG 34 1HH1 ARG 34 -12.950 -1.757 -2.390 241 2HH1 ARG 34 2HH1 ARG 34 -14.473 -1.588 -3.198 242 1HH2 ARG 34 1HH2 ARG 34 -13.170 -2.189 -6.414 243 2HH2 ARG 34 2HH2 ARG 34 -14.599 -1.836 -5.502 244 H GLY 35 H GLY 35 -6.314 -3.781 -0.219 245 1HA GLY 35 1HA GLY 35 -5.799 -6.319 -1.654 246 2HA GLY 35 2HA GLY 35 -5.414 -6.053 0.034 247 H CYS 36 H CYS 36 -3.906 -4.121 0.522 248 HA CYS 36 HA CYS 36 -1.505 -4.477 -0.654 249 1HB CYS 36 1HB CYS 36 -3.140 -3.102 -2.492 250 2HB CYS 36 2HB CYS 36 -2.050 -1.899 -1.832 251 H CYS 37 H CYS 37 -0.552 -1.694 -0.628 252 HA CYS 37 HA CYS 37 -1.236 -1.000 2.137 253 1HB CYS 37 1HB CYS 37 1.399 -1.236 0.762 254 2HB CYS 37 2HB CYS 37 1.205 0.056 1.930 255 H PHE 38 H PHE 38 -1.248 1.337 2.596 256 HA PHE 38 HA PHE 38 -1.582 2.917 0.144 257 1HB PHE 38 1HB PHE 38 -3.680 2.582 1.429 258 2HB PHE 38 2HB PHE 38 -2.870 2.971 2.934 259 HD1 PHE 38 HD1 PHE 38 -4.124 4.388 -0.232 260 HD2 PHE 38 HD2 PHE 38 -2.604 5.230 3.639 261 HE1 PHE 38 HE1 PHE 38 -4.805 6.791 -0.487 262 HE2 PHE 38 HE2 PHE 38 -3.285 7.632 3.384 263 HZ PHE 38 HZ PHE 38 -4.378 8.384 1.324 264 H ASP 39 H ASP 39 -1.384 5.417 0.737 265 HA ASP 39 HA ASP 39 0.220 6.162 2.848 266 1HB ASP 39 1HB ASP 39 2.031 4.911 1.794 267 2HB ASP 39 2HB ASP 39 1.685 5.620 0.229 268 H SER 40 H SER 40 0.428 8.503 2.824 269 HA SER 40 HA SER 40 -0.434 9.772 0.354 270 1HB SER 40 1HB SER 40 -1.908 11.291 1.597 271 2HB SER 40 2HB SER 40 -2.390 9.629 1.877 272 HG SER 40 HG SER 40 -0.671 11.128 3.663 273 H ARG 41 H ARG 41 2.140 9.292 2.097 274 HA ARG 41 HA ARG 41 2.869 11.669 3.247 275 1HB ARG 41 1HB ARG 41 4.024 9.219 3.023 276 2HB ARG 41 2HB ARG 41 4.972 10.057 1.811 277 1HG ARG 41 1HG ARG 41 5.328 11.902 3.624 278 2HG ARG 41 2HG ARG 41 4.718 10.723 4.769 279 1HD ARG 41 1HD ARG 41 6.543 9.235 4.414 280 2HD ARG 41 2HD ARG 41 6.951 9.947 2.865 281 HE ARG 41 HE ARG 41 7.192 11.820 5.111 282 1HH1 ARG 41 1HH1 ARG 41 8.840 9.369 3.198 283 2HH1 ARG 41 2HH1 ARG 41 10.425 9.941 3.596 284 1HH2 ARG 41 1HH2 ARG 41 9.284 12.576 5.636 285 2HH2 ARG 41 2HH2 ARG 41 10.680 11.778 4.992 286 H ILE 42 H ILE 42 3.390 10.419 -0.120 287 HA ILE 42 HA ILE 42 3.580 13.170 -1.030 288 HB ILE 42 HB ILE 42 5.581 12.019 -2.490 289 1HG1 ILE 42 1HG1 ILE 42 7.153 11.027 -0.851 290 2HG1 ILE 42 2HG1 ILE 42 5.892 11.046 0.365 291 1HG2 ILE 42 1HG2 ILE 42 5.295 14.044 -0.408 292 2HG2 ILE 42 2HG2 ILE 42 6.921 13.320 -0.448 293 3HG2 ILE 42 3HG2 ILE 42 6.243 14.067 -1.915 294 1HD1 ILE 42 1HD1 ILE 42 5.034 9.794 -2.179 295 2HD1 ILE 42 2HD1 ILE 42 6.383 8.952 -1.380 296 3HD1 ILE 42 3HD1 ILE 42 4.854 9.210 -0.507 297 HA PRO 43 HA PRO 43 1.130 11.320 -4.087 298 1HB PRO 43 1HB PRO 43 0.845 13.467 -5.755 299 2HB PRO 43 2HB PRO 43 -0.133 13.231 -4.320 300 1HG PRO 43 1HG PRO 43 2.106 15.113 -4.749 301 2HG PRO 43 2HG PRO 43 0.864 15.149 -3.513 302 1HD PRO 43 1HD PRO 43 3.588 14.313 -3.184 303 2HD PRO 43 2HD PRO 43 2.316 14.240 -1.980 304 H GLY 44 H GLY 44 4.012 13.068 -5.018 305 1HA GLY 44 1HA GLY 44 5.671 12.373 -6.401 306 2HA GLY 44 2HA GLY 44 4.383 12.422 -7.588 307 H VAL 45 H VAL 45 4.775 10.165 -4.784 308 HA VAL 45 HA VAL 45 5.399 8.016 -6.643 309 HB VAL 45 HB VAL 45 6.297 6.910 -4.868 310 1HG1 VAL 45 1HG1 VAL 45 7.020 9.522 -5.081 311 2HG1 VAL 45 2HG1 VAL 45 6.575 9.444 -3.359 312 3HG1 VAL 45 3HG1 VAL 45 7.818 8.347 -4.008 313 1HG2 VAL 45 1HG2 VAL 45 4.203 8.280 -3.180 314 2HG2 VAL 45 2HG2 VAL 45 4.468 6.541 -3.452 315 3HG2 VAL 45 3HG2 VAL 45 5.602 7.466 -2.439 316 HA PRO 46 HA PRO 46 1.496 6.174 -6.358 317 1HB PRO 46 1HB PRO 46 1.961 3.504 -6.006 318 2HB PRO 46 2HB PRO 46 2.124 4.309 -7.554 319 1HG PRO 46 1HG PRO 46 4.244 3.380 -5.715 320 2HG PRO 46 2HG PRO 46 4.367 3.787 -7.415 321 1HD PRO 46 1HD PRO 46 5.219 5.396 -5.199 322 2HD PRO 46 2HD PRO 46 5.234 5.851 -6.892 323 H TRP 47 H TRP 47 0.542 7.233 -4.626 324 HA TRP 47 HA TRP 47 0.932 6.929 -2.039 325 1HB TRP 47 1HB TRP 47 -1.545 7.229 -3.656 326 2HB TRP 47 2HB TRP 47 -1.741 6.851 -1.956 327 HD1 TRP 47 HD1 TRP 47 1.166 9.136 -3.032 328 HE1 TRP 47 HE1 TRP 47 0.827 11.600 -2.150 329 HE3 TRP 47 HE3 TRP 47 -3.568 8.429 -1.316 330 HZ2 TRP 47 HZ2 TRP 47 -1.336 12.946 -0.863 331 HZ3 TRP 47 HZ3 TRP 47 -4.723 10.370 -0.260 332 HH2 TRP 47 HH2 TRP 47 -3.682 12.569 -0.021 333 H CYS 48 H CYS 48 -1.010 4.614 -4.062 334 HA CYS 48 HA CYS 48 -0.931 2.733 -1.852 335 1HB CYS 48 1HB CYS 48 -3.026 3.307 -3.237 336 2HB CYS 48 2HB CYS 48 -2.314 2.315 -4.495 337 H PHE 49 H PHE 49 0.902 1.474 -1.769 338 HA PHE 49 HA PHE 49 1.881 0.427 -4.326 339 1HB PHE 49 1HB PHE 49 4.190 0.631 -3.113 340 2HB PHE 49 2HB PHE 49 3.471 2.134 -3.656 341 HD1 PHE 49 HD1 PHE 49 3.646 -0.059 -0.646 342 HD2 PHE 49 HD2 PHE 49 3.239 3.886 -2.155 343 HE1 PHE 49 HE1 PHE 49 3.780 0.848 1.690 344 HE2 PHE 49 HE2 PHE 49 3.373 4.793 0.181 345 HZ PHE 49 HZ PHE 49 3.641 3.264 2.076 346 H LYS 50 H LYS 50 3.270 -1.580 -4.016 347 HA LYS 50 HA LYS 50 1.861 -3.405 -2.397 348 1HB LYS 50 1HB LYS 50 4.534 -3.780 -3.776 349 2HB LYS 50 2HB LYS 50 3.440 -5.040 -3.241 350 1HG LYS 50 1HG LYS 50 1.664 -3.917 -4.782 351 2HG LYS 50 2HG LYS 50 2.999 -3.015 -5.472 352 1HD LYS 50 1HD LYS 50 2.943 -4.868 -6.899 353 2HD LYS 50 2HD LYS 50 4.138 -5.393 -5.729 354 1HE LYS 50 1HE LYS 50 2.623 -6.858 -4.634 355 2HE LYS 50 2HE LYS 50 1.211 -6.019 -5.246 356 1HZ LYS 50 1HZ LYS 50 2.131 -6.765 -7.507 357 2HZ LYS 50 2HZ LYS 50 2.963 -7.874 -6.644 358 3HZ LYS 50 3HZ LYS 50 1.332 -7.846 -6.580 359 HA PRO 51 HA PRO 51 4.128 -3.318 1.274 360 1HB PRO 51 1HB PRO 51 4.222 -5.932 2.066 361 2HB PRO 51 2HB PRO 51 2.805 -4.920 2.265 362 1HG PRO 51 1HG PRO 51 3.283 -7.074 0.298 363 2HG PRO 51 2HG PRO 51 1.763 -6.356 0.791 364 1HD PRO 51 1HD PRO 51 3.190 -5.850 -1.645 365 2HD PRO 51 2HD PRO 51 1.731 -5.047 -1.099 366 H LEU 52 H LEU 52 6.154 -2.631 1.485 367 HA LEU 52 HA LEU 52 8.213 -3.200 -0.046 368 1HB LEU 52 1HB LEU 52 8.407 -1.623 1.702 369 2HB LEU 52 2HB LEU 52 8.152 -2.835 2.942 370 HG LEU 52 HG LEU 52 10.582 -2.702 1.134 371 1HD1 LEU 52 1HD1 LEU 52 9.949 -1.405 3.725 372 2HD1 LEU 52 2HD1 LEU 52 11.557 -2.154 3.581 373 3HD1 LEU 52 3HD1 LEU 52 11.049 -0.904 2.419 374 1HD2 LEU 52 1HD2 LEU 52 9.602 -4.689 3.064 375 2HD2 LEU 52 2HD2 LEU 52 10.798 -4.841 1.755 376 3HD2 LEU 52 3HD2 LEU 52 11.285 -4.176 3.333 377 H GLN 53 H GLN 53 9.473 -4.890 -0.669 378 HA GLN 53 HA GLN 53 8.728 -7.451 -0.015 379 1HB GLN 53 1HB GLN 53 11.097 -7.993 -1.013 380 2HB GLN 53 2HB GLN 53 9.882 -7.259 -2.041 381 1HG GLN 53 1HG GLN 53 11.480 -5.268 -0.536 382 2HG GLN 53 2HG GLN 53 12.454 -6.265 -1.599 383 2HE2 GLN 53 2HE2 GLN 53 11.097 -3.418 -1.478 384 1HE2 GLN 53 1HE2 GLN 53 10.568 -3.159 -3.108 385 H GLU 54 H GLU 54 8.612 -7.642 2.304 386 HA GLU 54 HA GLU 54 10.934 -7.135 3.843 387 1HB GLU 54 1HB GLU 54 8.175 -7.516 4.335 388 2HB GLU 54 2HB GLU 54 8.959 -8.859 5.143 389 1HG GLU 54 1HG GLU 54 10.030 -7.502 6.676 390 2HG GLU 54 2HG GLU 54 10.294 -6.214 5.518 391 H ALA 55 H ALA 55 12.048 -8.672 2.022 392 HA ALA 55 HA ALA 55 11.926 -11.438 2.975 393 1HB ALA 55 1HB ALA 55 11.693 -11.547 0.683 394 2HB ALA 55 2HB ALA 55 13.469 -11.594 0.794 395 3HB ALA 55 3HB ALA 55 12.642 -10.066 0.406 396 H GLU 56 H GLU 56 13.029 -10.400 4.995 397 HA GLU 56 HA GLU 56 14.826 -9.822 6.133 398 1HB GLU 56 1HB GLU 56 15.324 -12.412 4.770 399 2HB GLU 56 2HB GLU 56 16.770 -11.657 5.411 400 1HG GLU 56 1HG GLU 56 16.069 -11.841 7.620 401 2HG GLU 56 2HG GLU 56 14.373 -11.662 7.215 402 H CYS 57 H CYS 57 14.823 -7.835 4.479 403 HA CYS 57 HA CYS 57 16.174 -6.271 3.685 404 1HB CYS 57 1HB CYS 57 18.029 -7.904 4.911 405 2HB CYS 57 2HB CYS 57 18.622 -7.826 3.264 406 H THR 58 H THR 58 17.409 -9.403 2.281 407 HA THR 58 HA THR 58 15.978 -9.074 -0.141 408 HB THR 58 HB THR 58 17.744 -7.247 -0.342 409 HG1 THR 58 HG1 THR 58 18.034 -9.649 -2.007 410 1HG2 THR 58 1HG2 THR 58 19.574 -9.704 -0.341 411 2HG2 THR 58 2HG2 THR 58 20.053 -8.105 -0.957 412 3HG2 THR 58 3HG2 THR 58 19.670 -8.315 0.768 413 H PHE 59 H PHE 59 15.972 -10.946 -1.367 414 HA PHE 59 HA PHE 59 16.283 -13.306 -0.218 415 1HB PHE 59 1HB PHE 59 16.176 -12.172 -2.900 416 2HB PHE 59 2HB PHE 59 17.324 -13.495 -2.938 417 HD1 PHE 59 HD1 PHE 59 16.579 -15.791 -2.336 418 HD2 PHE 59 HD2 PHE 59 13.833 -12.576 -2.700 419 HE1 PHE 59 HE1 PHE 59 14.685 -17.429 -2.512 420 HE2 PHE 59 HE2 PHE 59 11.939 -14.214 -2.875 421 HZ PHE 59 HZ PHE 59 12.388 -16.621 -2.779 No H/Q in entry = 421 Start of MODEL 45 1 H GLU 1 H GLU 1 3.996 -10.724 14.238 2 HA GLU 1 HA GLU 1 2.674 -11.451 16.488 3 1HB GLU 1 1HB GLU 1 3.797 -8.894 16.910 4 2HB GLU 1 2HB GLU 1 2.112 -8.576 16.552 5 1HG GLU 1 1HG GLU 1 1.335 -9.811 18.404 6 2HG GLU 1 2HG GLU 1 2.775 -10.807 18.481 7 H GLU 2 H GLU 2 2.108 -8.408 14.593 8 HA GLU 2 HA GLU 2 -0.394 -9.471 13.738 9 1HB GLU 2 1HB GLU 2 0.557 -6.928 14.246 10 2HB GLU 2 2HB GLU 2 0.583 -6.955 12.494 11 1HG GLU 2 1HG GLU 2 -1.620 -6.327 12.748 12 2HG GLU 2 2HG GLU 2 -1.864 -8.058 12.862 13 H TYR 3 H TYR 3 -0.834 -8.683 11.175 14 HA TYR 3 HA TYR 3 1.308 -9.205 9.409 15 1HB TYR 3 1HB TYR 3 0.418 -11.450 8.656 16 2HB TYR 3 2HB TYR 3 0.920 -11.514 10.334 17 HD1 TYR 3 HD1 TYR 3 -1.041 -10.909 12.076 18 HD2 TYR 3 HD2 TYR 3 -1.636 -12.379 8.103 19 HE1 TYR 3 HE1 TYR 3 -3.348 -11.757 12.728 20 HE2 TYR 3 HE2 TYR 3 -3.941 -13.222 8.767 21 HH TYR 3 HH TYR 3 -5.653 -12.287 10.897 22 H VAL 4 H VAL 4 0.607 -7.473 8.170 23 HA VAL 4 HA VAL 4 -0.571 -6.438 6.611 24 HB VAL 4 HB VAL 4 -2.307 -8.912 6.520 25 1HG1 VAL 4 1HG1 VAL 4 -2.109 -6.441 4.880 26 2HG1 VAL 4 2HG1 VAL 4 -2.259 -7.973 3.987 27 3HG1 VAL 4 3HG1 VAL 4 -3.496 -7.514 5.182 28 1HG2 VAL 4 1HG2 VAL 4 0.404 -8.872 6.097 29 2HG2 VAL 4 2HG2 VAL 4 -0.732 -10.027 5.358 30 3HG2 VAL 4 3HG2 VAL 4 -0.227 -8.576 4.458 31 H GLY 5 H GLY 5 -1.193 -6.442 9.580 32 1HA GLY 5 1HA GLY 5 -3.560 -6.358 10.577 33 2HA GLY 5 2HA GLY 5 -3.831 -5.154 9.332 34 H LEU 6 H LEU 6 -0.663 -4.647 9.809 35 HA LEU 6 HA LEU 6 -1.085 -2.939 12.161 36 1HB LEU 6 1HB LEU 6 1.169 -3.189 12.720 37 2HB LEU 6 2HB LEU 6 0.581 -4.798 12.351 38 HG LEU 6 HG LEU 6 1.689 -3.623 9.963 39 1HD1 LEU 6 1HD1 LEU 6 3.097 -2.943 12.419 40 2HD1 LEU 6 2HD1 LEU 6 4.102 -3.906 11.308 41 3HD1 LEU 6 3HD1 LEU 6 3.363 -2.385 10.750 42 1HD2 LEU 6 1HD2 LEU 6 1.339 -6.061 10.611 43 2HD2 LEU 6 2HD2 LEU 6 2.880 -5.647 9.821 44 3HD2 LEU 6 3HD2 LEU 6 2.822 -5.906 11.581 45 H SER 7 H SER 7 -0.002 -3.179 8.772 46 HA SER 7 HA SER 7 0.515 -1.682 7.284 47 1HB SER 7 1HB SER 7 -0.939 0.182 7.045 48 2HB SER 7 2HB SER 7 -1.884 -1.005 7.922 49 HG SER 7 HG SER 7 -1.575 0.126 9.858 50 H ALA 8 H ALA 8 2.718 -1.246 7.453 51 HA ALA 8 HA ALA 8 3.654 1.208 8.072 52 1HB ALA 8 1HB ALA 8 3.089 -0.324 10.501 53 2HB ALA 8 2HB ALA 8 4.800 0.155 10.398 54 3HB ALA 8 3HB ALA 8 3.523 1.392 10.315 55 H ASN 9 H ASN 9 5.042 -1.768 9.563 56 HA ASN 9 HA ASN 9 7.469 -1.528 8.435 57 1HB ASN 9 1HB ASN 9 6.247 -3.366 10.079 58 2HB ASN 9 2HB ASN 9 6.415 -4.335 8.628 59 2HD2 ASN 9 2HD2 ASN 9 8.141 -2.305 10.939 60 1HD2 ASN 9 1HD2 ASN 9 9.705 -3.028 10.765 61 H GLN 10 H GLN 10 4.527 -3.230 7.180 62 HA GLN 10 HA GLN 10 5.848 -4.208 4.890 63 1HB GLN 10 1HB GLN 10 3.427 -4.659 4.134 64 2HB GLN 10 2HB GLN 10 3.955 -5.451 5.605 65 1HG GLN 10 1HG GLN 10 2.745 -2.735 5.962 66 2HG GLN 10 2HG GLN 10 1.648 -3.986 5.412 67 2HE2 GLN 10 2HE2 GLN 10 1.275 -5.819 6.671 68 1HE2 GLN 10 1HE2 GLN 10 1.605 -5.870 8.371 69 H CYS 11 H CYS 11 4.099 -1.239 5.757 70 HA CYS 11 HA CYS 11 4.343 -0.369 2.971 71 1HB CYS 11 1HB CYS 11 2.679 1.174 4.889 72 2HB CYS 11 2HB CYS 11 2.463 0.897 3.172 73 H ALA 12 H ALA 12 6.682 -0.460 4.507 74 HA ALA 12 HA ALA 12 7.038 2.354 5.289 75 1HB ALA 12 1HB ALA 12 9.015 1.315 6.617 76 2HB ALA 12 2HB ALA 12 7.366 1.079 7.245 77 3HB ALA 12 3HB ALA 12 8.179 -0.236 6.363 78 H VAL 13 H VAL 13 7.127 2.139 2.663 79 HA VAL 13 HA VAL 13 9.858 1.445 1.899 80 HB VAL 13 HB VAL 13 7.962 2.401 -0.137 81 1HG1 VAL 13 1HG1 VAL 13 10.179 0.516 0.160 82 2HG1 VAL 13 2HG1 VAL 13 8.827 -0.158 -0.781 83 3HG1 VAL 13 3HG1 VAL 13 9.587 1.370 -1.285 84 1HG2 VAL 13 1HG2 VAL 13 7.292 0.080 1.655 85 2HG2 VAL 13 2HG2 VAL 13 6.228 1.333 0.974 86 3HG2 VAL 13 3HG2 VAL 13 6.851 0.032 -0.069 87 HA PRO 14 HA PRO 14 10.991 5.610 1.697 88 1HB PRO 14 1HB PRO 14 13.045 5.528 -0.104 89 2HB PRO 14 2HB PRO 14 13.227 5.073 1.578 90 1HG PRO 14 1HG PRO 14 13.071 3.332 -0.806 91 2HG PRO 14 2HG PRO 14 13.667 2.948 0.796 92 1HD PRO 14 1HD PRO 14 11.138 2.187 -0.321 93 2HD PRO 14 2HD PRO 14 11.687 1.903 1.319 94 H ALA 15 H ALA 15 9.234 4.191 -0.595 95 HA ALA 15 HA ALA 15 7.814 5.190 -2.025 96 1HB ALA 15 1HB ALA 15 8.768 7.409 -0.709 97 2HB ALA 15 2HB ALA 15 7.561 7.445 -2.016 98 3HB ALA 15 3HB ALA 15 9.279 7.735 -2.382 99 H LYS 16 H LYS 16 11.335 5.288 -2.279 100 HA LYS 16 HA LYS 16 11.223 5.402 -5.172 101 1HB LYS 16 1HB LYS 16 13.647 5.469 -5.048 102 2HB LYS 16 2HB LYS 16 12.948 6.665 -3.975 103 1HG LYS 16 1HG LYS 16 14.533 5.703 -2.556 104 2HG LYS 16 2HG LYS 16 13.125 4.742 -2.152 105 1HD LYS 16 1HD LYS 16 13.853 2.902 -3.537 106 2HD LYS 16 2HD LYS 16 15.068 3.882 -4.333 107 1HE LYS 16 1HE LYS 16 15.867 4.157 -1.717 108 2HE LYS 16 2HE LYS 16 15.154 2.558 -1.653 109 1HZ LYS 16 1HZ LYS 16 16.681 2.736 -3.962 110 2HZ LYS 16 2HZ LYS 16 17.597 3.284 -2.727 111 3HZ LYS 16 3HZ LYS 16 16.938 1.792 -2.654 112 H ASP 17 H ASP 17 10.309 3.116 -3.091 113 HA ASP 17 HA ASP 17 11.447 1.028 -4.770 114 1HB ASP 17 1HB ASP 17 11.799 1.386 -1.938 115 2HB ASP 17 2HB ASP 17 10.746 0.001 -2.149 116 H ARG 18 H ARG 18 8.837 2.688 -4.597 117 HA ARG 18 HA ARG 18 6.901 0.890 -3.603 118 1HB ARG 18 1HB ARG 18 6.389 3.194 -5.535 119 2HB ARG 18 2HB ARG 18 5.282 2.532 -4.348 120 1HG ARG 18 1HG ARG 18 7.918 3.669 -3.396 121 2HG ARG 18 2HG ARG 18 6.641 4.779 -3.852 122 1HD ARG 18 1HD ARG 18 5.312 2.873 -2.261 123 2HD ARG 18 2HD ARG 18 6.859 3.066 -1.460 124 HE ARG 18 HE ARG 18 5.405 5.545 -2.231 125 1HH1 ARG 18 1HH1 ARG 18 6.412 3.320 0.302 126 2HH1 ARG 18 2HH1 ARG 18 6.080 4.432 1.587 127 1HH2 ARG 18 1HH2 ARG 18 4.966 7.012 -0.536 128 2HH2 ARG 18 2HH2 ARG 18 5.252 6.546 1.108 129 H VAL 19 H VAL 19 5.622 -0.608 -4.752 130 HA VAL 19 HA VAL 19 6.529 -1.151 -7.465 131 HB VAL 19 HB VAL 19 4.628 -2.811 -5.829 132 1HG1 VAL 19 1HG1 VAL 19 5.674 -3.070 -8.396 133 2HG1 VAL 19 2HG1 VAL 19 6.676 -4.164 -7.412 134 3HG1 VAL 19 3HG1 VAL 19 4.906 -4.352 -7.430 135 1HG2 VAL 19 1HG2 VAL 19 6.574 -2.277 -4.394 136 2HG2 VAL 19 2HG2 VAL 19 6.511 -3.999 -4.840 137 3HG2 VAL 19 3HG2 VAL 19 7.659 -2.909 -5.655 138 H ASP 20 H ASP 20 4.228 0.754 -5.957 139 HA ASP 20 HA ASP 20 2.311 1.608 -6.518 140 1HB ASP 20 1HB ASP 20 3.414 2.589 -8.389 141 2HB ASP 20 2HB ASP 20 3.558 1.056 -9.226 142 H CYS 21 H CYS 21 0.684 0.173 -5.765 143 HA CYS 21 HA CYS 21 0.189 -2.307 -7.001 144 1HB CYS 21 1HB CYS 21 -0.414 -1.220 -4.593 145 2HB CYS 21 2HB CYS 21 -1.964 -1.063 -5.395 146 H GLY 22 H GLY 22 -0.894 1.038 -7.458 147 1HA GLY 22 1HA GLY 22 -2.119 0.413 -9.956 148 2HA GLY 22 2HA GLY 22 -2.057 1.970 -9.155 149 H TYR 23 H TYR 23 -3.736 2.606 -7.678 150 HA TYR 23 HA TYR 23 -6.168 1.009 -8.019 151 1HB TYR 23 1HB TYR 23 -4.652 1.924 -5.550 152 2HB TYR 23 2HB TYR 23 -6.400 2.024 -5.466 153 HD1 TYR 23 HD1 TYR 23 -7.685 -0.192 -6.197 154 HD2 TYR 23 HD2 TYR 23 -3.611 -0.052 -4.897 155 HE1 TYR 23 HE1 TYR 23 -7.789 -2.657 -5.582 156 HE2 TYR 23 HE2 TYR 23 -3.729 -2.517 -4.287 157 HH TYR 23 HH TYR 23 -6.062 -4.536 -5.391 158 HA PRO 24 HA PRO 24 -7.877 4.912 -8.786 159 1HB PRO 24 1HB PRO 24 -10.538 4.366 -8.488 160 2HB PRO 24 2HB PRO 24 -9.640 3.987 -9.944 161 1HG PRO 24 1HG PRO 24 -10.574 2.161 -7.815 162 2HG PRO 24 2HG PRO 24 -10.065 1.776 -9.447 163 1HD PRO 24 1HD PRO 24 -8.547 1.401 -7.042 164 2HD PRO 24 2HD PRO 24 -7.996 1.125 -8.683 165 H HIS 25 H HIS 25 -10.084 3.695 -6.325 166 HA HIS 25 HA HIS 25 -9.723 6.213 -4.951 167 1HB HIS 25 1HB HIS 25 -11.671 5.618 -3.700 168 2HB HIS 25 2HB HIS 25 -11.983 5.298 -5.395 169 HD1 HIS 25 HD1 HIS 25 -13.751 3.868 -3.415 170 HD2 HIS 25 HD2 HIS 25 -10.106 2.272 -4.741 171 HE1 HIS 25 HE1 HIS 25 -13.896 1.348 -3.041 172 HE2 HIS 25 HE2 HIS 25 -11.649 0.416 -3.924 173 H VAL 26 H VAL 26 -7.540 5.956 -4.191 174 HA VAL 26 HA VAL 26 -7.108 3.736 -2.352 175 HB VAL 26 HB VAL 26 -4.765 4.566 -2.389 176 1HG1 VAL 26 1HG1 VAL 26 -6.032 3.928 -5.074 177 2HG1 VAL 26 2HG1 VAL 26 -4.291 3.836 -4.717 178 3HG1 VAL 26 3HG1 VAL 26 -5.431 2.763 -3.871 179 1HG2 VAL 26 1HG2 VAL 26 -5.764 6.939 -3.228 180 2HG2 VAL 26 2HG2 VAL 26 -4.077 6.432 -3.479 181 3HG2 VAL 26 3HG2 VAL 26 -5.268 6.241 -4.788 182 H THR 27 H THR 27 -6.792 4.004 -0.138 183 HA THR 27 HA THR 27 -6.627 6.674 0.951 184 HB THR 27 HB THR 27 -8.753 6.708 1.992 185 HG1 THR 27 HG1 THR 27 -8.403 3.855 1.549 186 1HG2 THR 27 1HG2 THR 27 -9.213 5.033 -0.534 187 2HG2 THR 27 2HG2 THR 27 -10.480 5.907 0.360 188 3HG2 THR 27 3HG2 THR 27 -9.187 6.812 -0.464 189 HA PRO 28 HA PRO 28 -4.683 4.611 4.179 190 1HB PRO 28 1HB PRO 28 -5.484 5.875 6.466 191 2HB PRO 28 2HB PRO 28 -4.288 6.541 5.372 192 1HG PRO 28 1HG PRO 28 -7.110 7.341 5.741 193 2HG PRO 28 2HG PRO 28 -5.804 8.237 4.991 194 1HD PRO 28 1HD PRO 28 -7.927 6.850 3.649 195 2HD PRO 28 2HD PRO 28 -6.558 7.647 2.900 196 H LYS 29 H LYS 29 -6.992 3.261 3.244 197 HA LYS 29 HA LYS 29 -7.167 1.322 5.223 198 1HB LYS 29 1HB LYS 29 -8.521 3.350 6.221 199 2HB LYS 29 2HB LYS 29 -9.777 2.804 5.128 200 1HG LYS 29 1HG LYS 29 -8.368 0.812 6.933 201 2HG LYS 29 2HG LYS 29 -9.660 1.809 7.571 202 1HD LYS 29 1HD LYS 29 -10.008 0.176 5.023 203 2HD LYS 29 2HD LYS 29 -10.312 -0.512 6.606 204 1HE LYS 29 1HE LYS 29 -11.637 2.069 5.661 205 2HE LYS 29 2HE LYS 29 -12.351 0.491 5.393 206 1HZ LYS 29 1HZ LYS 29 -11.658 0.529 8.027 207 2HZ LYS 29 2HZ LYS 29 -12.283 2.013 7.755 208 3HZ LYS 29 3HZ LYS 29 -13.165 0.681 7.416 209 H GLU 30 H GLU 30 -9.183 3.026 2.728 210 HA GLU 30 HA GLU 30 -10.307 0.684 1.760 211 1HB GLU 30 1HB GLU 30 -11.226 2.952 1.348 212 2HB GLU 30 2HB GLU 30 -9.840 3.350 0.352 213 1HG GLU 30 1HG GLU 30 -10.631 2.174 -1.450 214 2HG GLU 30 2HG GLU 30 -11.174 0.831 -0.463 215 H CYS 31 H CYS 31 -7.246 2.380 1.053 216 HA CYS 31 HA CYS 31 -6.710 0.845 -1.281 217 1HB CYS 31 1HB CYS 31 -5.649 2.868 -1.373 218 2HB CYS 31 2HB CYS 31 -5.270 2.888 0.338 219 H ASN 32 H ASN 32 -6.009 0.716 2.233 220 HA ASN 32 HA ASN 32 -4.225 -1.493 1.869 221 1HB ASN 32 1HB ASN 32 -5.367 -0.572 4.537 222 2HB ASN 32 2HB ASN 32 -3.805 -1.303 4.225 223 2HD2 ASN 32 2HD2 ASN 32 -5.769 1.580 3.895 224 1HD2 ASN 32 1HD2 ASN 32 -4.488 2.726 3.683 225 H ASN 33 H ASN 33 -7.511 -1.120 1.665 226 HA ASN 33 HA ASN 33 -8.118 -3.502 3.210 227 1HB ASN 33 1HB ASN 33 -9.596 -1.565 3.626 228 2HB ASN 33 2HB ASN 33 -9.907 -1.382 1.911 229 2HD2 ASN 33 2HD2 ASN 33 -10.730 -2.969 4.818 230 1HD2 ASN 33 1HD2 ASN 33 -11.988 -4.005 4.229 231 H ARG 34 H ARG 34 -8.181 -1.980 -0.050 232 HA ARG 34 HA ARG 34 -9.628 -3.923 -1.349 233 1HB ARG 34 1HB ARG 34 -8.544 -1.538 -2.077 234 2HB ARG 34 2HB ARG 34 -7.345 -2.593 -2.800 235 1HG ARG 34 1HG ARG 34 -10.356 -2.769 -3.293 236 2HG ARG 34 2HG ARG 34 -9.201 -2.034 -4.386 237 1HD ARG 34 1HD ARG 34 -7.973 -4.387 -4.244 238 2HD ARG 34 2HD ARG 34 -9.527 -4.963 -3.675 239 HE ARG 34 HE ARG 34 -8.881 -4.078 -6.391 240 1HH1 ARG 34 1HH1 ARG 34 -11.476 -4.582 -4.069 241 2HH1 ARG 34 2HH1 ARG 34 -12.704 -4.736 -5.281 242 1HH2 ARG 34 1HH2 ARG 34 -10.500 -4.281 -7.991 243 2HH2 ARG 34 2HH2 ARG 34 -12.144 -4.564 -7.527 244 H GLY 35 H GLY 35 -6.266 -3.816 -0.236 245 1HA GLY 35 1HA GLY 35 -5.747 -6.393 -1.598 246 2HA GLY 35 2HA GLY 35 -5.348 -6.099 0.083 247 H CYS 36 H CYS 36 -3.868 -4.141 0.533 248 HA CYS 36 HA CYS 36 -1.478 -4.466 -0.684 249 1HB CYS 36 1HB CYS 36 -3.167 -3.111 -2.487 250 2HB CYS 36 2HB CYS 36 -2.086 -1.892 -1.843 251 H CYS 37 H CYS 37 -0.587 -1.652 -0.674 252 HA CYS 37 HA CYS 37 -1.235 -0.975 2.103 253 1HB CYS 37 1HB CYS 37 1.391 -1.190 0.707 254 2HB CYS 37 2HB CYS 37 1.196 0.095 1.882 255 H PHE 38 H PHE 38 -1.196 1.378 2.562 256 HA PHE 38 HA PHE 38 -1.595 2.946 0.110 257 1HB PHE 38 1HB PHE 38 -3.662 2.610 1.450 258 2HB PHE 38 2HB PHE 38 -2.818 3.024 2.929 259 HD1 PHE 38 HD1 PHE 38 -4.171 4.386 -0.218 260 HD2 PHE 38 HD2 PHE 38 -2.526 5.298 3.586 261 HE1 PHE 38 HE1 PHE 38 -4.869 6.781 -0.491 262 HE2 PHE 38 HE2 PHE 38 -3.223 7.694 3.313 263 HZ PHE 38 HZ PHE 38 -4.386 8.407 1.278 264 H ASP 39 H ASP 39 -1.403 5.456 0.721 265 HA ASP 39 HA ASP 39 0.225 6.229 2.780 266 1HB ASP 39 1HB ASP 39 1.999 4.890 1.707 267 2HB ASP 39 2HB ASP 39 1.713 5.683 0.171 268 H SER 40 H SER 40 0.396 8.560 2.719 269 HA SER 40 HA SER 40 -0.374 9.785 0.198 270 1HB SER 40 1HB SER 40 -1.905 11.319 1.363 271 2HB SER 40 2HB SER 40 -2.400 9.657 1.615 272 HG SER 40 HG SER 40 -2.486 10.643 3.634 273 H ARG 41 H ARG 41 2.152 9.352 1.961 274 HA ARG 41 HA ARG 41 2.797 11.770 3.128 275 1HB ARG 41 1HB ARG 41 3.963 9.332 3.090 276 2HB ARG 41 2HB ARG 41 4.952 10.080 1.851 277 1HG ARG 41 1HG ARG 41 5.688 11.830 3.364 278 2HG ARG 41 2HG ARG 41 4.490 11.390 4.565 279 1HD ARG 41 1HD ARG 41 5.670 9.051 4.604 280 2HD ARG 41 2HD ARG 41 6.984 9.844 3.760 281 HE ARG 41 HE ARG 41 6.186 11.378 6.086 282 1HH1 ARG 41 1HH1 ARG 41 8.009 8.532 5.106 283 2HH1 ARG 41 2HH1 ARG 41 9.049 8.565 6.491 284 1HH2 ARG 41 1HH2 ARG 41 7.558 11.421 7.913 285 2HH2 ARG 41 2HH2 ARG 41 8.791 10.219 8.098 286 H ILE 42 H ILE 42 3.357 10.438 -0.188 287 HA ILE 42 HA ILE 42 3.691 13.157 -1.144 288 HB ILE 42 HB ILE 42 5.662 11.873 -2.547 289 1HG1 ILE 42 1HG1 ILE 42 7.167 10.887 -0.834 290 2HG1 ILE 42 2HG1 ILE 42 5.873 10.984 0.345 291 1HG2 ILE 42 1HG2 ILE 42 5.478 14.200 -1.424 292 2HG2 ILE 42 2HG2 ILE 42 6.292 13.420 -0.046 293 3HG2 ILE 42 3HG2 ILE 42 7.085 13.465 -1.640 294 1HD1 ILE 42 1HD1 ILE 42 5.063 9.683 -2.196 295 2HD1 ILE 42 2HD1 ILE 42 6.338 8.817 -1.304 296 3HD1 ILE 42 3HD1 ILE 42 4.782 9.170 -0.515 297 HA PRO 43 HA PRO 43 1.178 11.321 -4.166 298 1HB PRO 43 1HB PRO 43 0.865 13.492 -5.796 299 2HB PRO 43 2HB PRO 43 -0.099 13.227 -4.357 300 1HG PRO 43 1HG PRO 43 2.124 15.131 -4.774 301 2HG PRO 43 2HG PRO 43 0.892 15.138 -3.528 302 1HD PRO 43 1HD PRO 43 3.624 14.315 -3.235 303 2HD PRO 43 2HD PRO 43 2.363 14.214 -2.022 304 H GLY 44 H GLY 44 4.032 13.115 -5.104 305 1HA GLY 44 1HA GLY 44 5.668 12.509 -6.544 306 2HA GLY 44 2HA GLY 44 4.350 12.450 -7.698 307 H VAL 45 H VAL 45 4.453 10.247 -4.899 308 HA VAL 45 HA VAL 45 5.341 8.096 -6.682 309 HB VAL 45 HB VAL 45 6.345 7.124 -4.916 310 1HG1 VAL 45 1HG1 VAL 45 7.291 9.390 -5.044 311 2HG1 VAL 45 2HG1 VAL 45 6.104 9.956 -3.843 312 3HG1 VAL 45 3HG1 VAL 45 7.337 8.758 -3.380 313 1HG2 VAL 45 1HG2 VAL 45 4.087 8.214 -3.226 314 2HG2 VAL 45 2HG2 VAL 45 4.482 6.520 -3.605 315 3HG2 VAL 45 3HG2 VAL 45 5.527 7.453 -2.506 316 HA PRO 46 HA PRO 46 1.496 6.138 -6.374 317 1HB PRO 46 1HB PRO 46 2.046 3.492 -5.973 318 2HB PRO 46 2HB PRO 46 2.187 4.274 -7.534 319 1HG PRO 46 1HG PRO 46 4.332 3.446 -5.676 320 2HG PRO 46 2HG PRO 46 4.445 3.827 -7.383 321 1HD PRO 46 1HD PRO 46 5.240 5.502 -5.195 322 2HD PRO 46 2HD PRO 46 5.245 5.927 -6.895 323 H TRP 47 H TRP 47 0.531 7.216 -4.651 324 HA TRP 47 HA TRP 47 0.934 6.930 -2.056 325 1HB TRP 47 1HB TRP 47 -1.552 7.215 -3.669 326 2HB TRP 47 2HB TRP 47 -1.731 6.873 -1.959 327 HD1 TRP 47 HD1 TRP 47 1.180 9.121 -3.088 328 HE1 TRP 47 HE1 TRP 47 0.853 11.605 -2.262 329 HE3 TRP 47 HE3 TRP 47 -3.561 8.478 -1.365 330 HZ2 TRP 47 HZ2 TRP 47 -1.304 12.992 -1.009 331 HZ3 TRP 47 HZ3 TRP 47 -4.706 10.448 -0.355 332 HH2 TRP 47 HH2 TRP 47 -3.655 12.646 -0.163 333 H CYS 48 H CYS 48 -1.044 4.623 -4.056 334 HA CYS 48 HA CYS 48 -0.960 2.747 -1.845 335 1HB CYS 48 1HB CYS 48 -3.047 3.337 -3.257 336 2HB CYS 48 2HB CYS 48 -2.343 2.298 -4.480 337 H PHE 49 H PHE 49 0.902 1.525 -1.763 338 HA PHE 49 HA PHE 49 1.864 0.452 -4.317 339 1HB PHE 49 1HB PHE 49 4.170 0.645 -3.094 340 2HB PHE 49 2HB PHE 49 3.462 2.149 -3.647 341 HD1 PHE 49 HD1 PHE 49 3.567 -0.034 -0.623 342 HD2 PHE 49 HD2 PHE 49 3.276 3.911 -2.158 343 HE1 PHE 49 HE1 PHE 49 3.694 0.883 1.710 344 HE2 PHE 49 HE2 PHE 49 3.404 4.828 0.175 345 HZ PHE 49 HZ PHE 49 3.611 3.303 2.081 346 H LYS 50 H LYS 50 3.250 -1.559 -4.001 347 HA LYS 50 HA LYS 50 1.829 -3.386 -2.403 348 1HB LYS 50 1HB LYS 50 4.397 -3.569 -3.991 349 2HB LYS 50 2HB LYS 50 3.733 -4.932 -3.113 350 1HG LYS 50 1HG LYS 50 1.507 -3.943 -4.496 351 2HG LYS 50 2HG LYS 50 2.813 -3.699 -5.638 352 1HD LYS 50 1HD LYS 50 3.272 -6.282 -4.559 353 2HD LYS 50 2HD LYS 50 1.537 -6.199 -4.796 354 1HE LYS 50 1HE LYS 50 2.534 -5.042 -7.143 355 2HE LYS 50 2HE LYS 50 3.704 -6.302 -6.809 356 1HZ LYS 50 1HZ LYS 50 0.901 -6.984 -6.558 357 2HZ LYS 50 2HZ LYS 50 1.497 -6.793 -8.066 358 3HZ LYS 50 3HZ LYS 50 2.153 -7.903 -7.065 359 HA PRO 51 HA PRO 51 4.025 -3.273 1.310 360 1HB PRO 51 1HB PRO 51 4.045 -5.878 2.137 361 2HB PRO 51 2HB PRO 51 2.648 -4.832 2.298 362 1HG PRO 51 1HG PRO 51 3.111 -7.022 0.367 363 2HG PRO 51 2HG PRO 51 1.599 -6.263 0.824 364 1HD PRO 51 1HD PRO 51 3.079 -5.822 -1.593 365 2HD PRO 51 2HD PRO 51 1.630 -4.979 -1.083 366 H LEU 52 H LEU 52 6.062 -2.636 1.562 367 HA LEU 52 HA LEU 52 8.133 -3.280 0.067 368 1HB LEU 52 1HB LEU 52 8.253 -1.669 1.837 369 2HB LEU 52 2HB LEU 52 8.095 -2.913 3.061 370 HG LEU 52 HG LEU 52 10.446 -2.635 1.167 371 1HD1 LEU 52 1HD1 LEU 52 10.299 -0.748 2.731 372 2HD1 LEU 52 2HD1 LEU 52 10.242 -1.888 4.097 373 3HD1 LEU 52 3HD1 LEU 52 11.698 -1.793 3.078 374 1HD2 LEU 52 1HD2 LEU 52 9.651 -4.689 3.142 375 2HD2 LEU 52 2HD2 LEU 52 10.691 -4.809 1.702 376 3HD2 LEU 52 3HD2 LEU 52 11.346 -4.151 3.221 377 H GLN 53 H GLN 53 9.403 -4.999 -0.469 378 HA GLN 53 HA GLN 53 8.581 -7.530 0.422 379 1HB GLN 53 1HB GLN 53 10.859 -8.125 -0.865 380 2HB GLN 53 2HB GLN 53 9.401 -7.676 -1.728 381 1HG GLN 53 1HG GLN 53 11.525 -6.445 -2.448 382 2HG GLN 53 2HG GLN 53 10.157 -5.420 -2.065 383 2HE2 GLN 53 2HE2 GLN 53 10.652 -3.707 -0.952 384 1HE2 GLN 53 1HE2 GLN 53 11.881 -3.550 0.259 385 H GLU 54 H GLU 54 8.995 -6.554 2.812 386 HA GLU 54 HA GLU 54 11.385 -6.219 3.911 387 1HB GLU 54 1HB GLU 54 10.418 -7.247 6.006 388 2HB GLU 54 2HB GLU 54 9.371 -6.071 5.238 389 1HG GLU 54 1HG GLU 54 8.904 -8.762 4.157 390 2HG GLU 54 2HG GLU 54 8.718 -8.743 5.900 391 H ALA 55 H ALA 55 13.238 -7.327 3.371 392 HA ALA 55 HA ALA 55 13.091 -10.259 3.558 393 1HB ALA 55 1HB ALA 55 14.077 -10.351 1.542 394 2HB ALA 55 2HB ALA 55 15.392 -9.287 2.096 395 3HB ALA 55 3HB ALA 55 13.905 -8.584 1.417 396 H GLU 56 H GLU 56 14.998 -7.266 4.204 397 HA GLU 56 HA GLU 56 16.549 -8.854 6.094 398 1HB GLU 56 1HB GLU 56 17.478 -7.247 4.056 399 2HB GLU 56 2HB GLU 56 17.510 -6.124 5.401 400 1HG GLU 56 1HG GLU 56 19.281 -7.176 6.377 401 2HG GLU 56 2HG GLU 56 18.553 -8.759 6.186 402 H CYS 57 H CYS 57 17.031 -7.878 8.217 403 HA CYS 57 HA CYS 57 14.887 -6.977 9.554 404 1HB CYS 57 1HB CYS 57 17.816 -6.814 10.011 405 2HB CYS 57 2HB CYS 57 16.813 -5.779 11.007 406 H THR 58 H THR 58 13.888 -4.966 9.963 407 HA THR 58 HA THR 58 13.941 -3.007 8.066 408 HB THR 58 HB THR 58 12.238 -3.401 9.913 409 HG1 THR 58 HG1 THR 58 12.096 -1.404 8.820 410 1HG2 THR 58 1HG2 THR 58 13.986 -3.426 11.810 411 2HG2 THR 58 2HG2 THR 58 14.142 -1.670 11.565 412 3HG2 THR 58 3HG2 THR 58 12.586 -2.362 12.082 413 H PHE 59 H PHE 59 14.960 -1.053 7.693 414 HA PHE 59 HA PHE 59 17.610 -0.868 8.127 415 1HB PHE 59 1HB PHE 59 17.302 1.364 7.298 416 2HB PHE 59 2HB PHE 59 15.841 0.559 6.759 417 HD1 PHE 59 HD1 PHE 59 13.755 0.783 8.248 418 HD2 PHE 59 HD2 PHE 59 17.168 3.276 8.635 419 HE1 PHE 59 HE1 PHE 59 12.368 2.495 9.449 420 HE2 PHE 59 HE2 PHE 59 15.781 4.988 9.837 421 HZ PHE 59 HZ PHE 59 13.397 4.578 10.229 No H/Q in entry = 421 Start of MODEL 46 1 H GLU 1 H GLU 1 6.042 -8.728 22.667 2 HA GLU 1 HA GLU 1 7.231 -9.711 20.461 3 1HB GLU 1 1HB GLU 1 6.686 -10.619 23.042 4 2HB GLU 1 2HB GLU 1 5.879 -11.811 22.042 5 1HG GLU 1 1HG GLU 1 7.888 -12.785 21.661 6 2HG GLU 1 2HG GLU 1 8.370 -11.361 20.761 7 H GLU 2 H GLU 2 5.355 -8.681 18.988 8 HA GLU 2 HA GLU 2 3.854 -10.984 18.086 9 1HB GLU 2 1HB GLU 2 2.693 -8.423 19.105 10 2HB GLU 2 2HB GLU 2 1.986 -9.048 17.629 11 1HG GLU 2 1HG GLU 2 0.956 -10.767 18.719 12 2HG GLU 2 2HG GLU 2 2.404 -11.181 19.614 13 H TYR 3 H TYR 3 2.617 -10.132 15.872 14 HA TYR 3 HA TYR 3 4.717 -8.710 14.377 15 1HB TYR 3 1HB TYR 3 4.114 -11.288 14.068 16 2HB TYR 3 2HB TYR 3 2.625 -10.708 13.350 17 HD1 TYR 3 HD1 TYR 3 6.331 -10.189 13.037 18 HD2 TYR 3 HD2 TYR 3 2.552 -10.425 11.045 19 HE1 TYR 3 HE1 TYR 3 7.494 -9.964 10.788 20 HE2 TYR 3 HE2 TYR 3 3.728 -10.199 8.803 21 HH TYR 3 HH TYR 3 5.986 -9.112 8.057 22 H VAL 4 H VAL 4 3.747 -7.817 12.196 23 HA VAL 4 HA VAL 4 1.033 -7.144 12.106 24 HB VAL 4 HB VAL 4 1.777 -5.815 14.114 25 1HG1 VAL 4 1HG1 VAL 4 3.360 -4.330 11.994 26 2HG1 VAL 4 2HG1 VAL 4 2.982 -3.669 13.603 27 3HG1 VAL 4 3HG1 VAL 4 3.984 -5.134 13.455 28 1HG2 VAL 4 1HG2 VAL 4 -0.060 -5.251 12.187 29 2HG2 VAL 4 2HG2 VAL 4 0.161 -4.295 13.672 30 3HG2 VAL 4 3HG2 VAL 4 0.923 -3.768 12.152 31 H GLY 5 H GLY 5 0.529 -6.142 10.111 32 1HA GLY 5 1HA GLY 5 1.672 -6.598 7.872 33 2HA GLY 5 2HA GLY 5 2.838 -5.414 8.427 34 H LEU 6 H LEU 6 0.191 -4.279 9.941 35 HA LEU 6 HA LEU 6 -0.908 -2.936 7.584 36 1HB LEU 6 1HB LEU 6 -2.609 -2.209 9.446 37 2HB LEU 6 2HB LEU 6 -2.729 -3.754 8.629 38 HG LEU 6 HG LEU 6 -1.168 -3.627 11.179 39 1HD1 LEU 6 1HD1 LEU 6 -4.073 -3.078 10.931 40 2HD1 LEU 6 2HD1 LEU 6 -3.583 -4.242 12.185 41 3HD1 LEU 6 3HD1 LEU 6 -2.908 -2.595 12.187 42 1HD2 LEU 6 1HD2 LEU 6 -1.372 -5.681 9.717 43 2HD2 LEU 6 2HD2 LEU 6 -1.830 -5.888 11.425 44 3HD2 LEU 6 3HD2 LEU 6 -3.091 -5.735 10.178 45 H SER 7 H SER 7 0.738 -2.451 10.727 46 HA SER 7 HA SER 7 0.727 0.397 10.235 47 1HB SER 7 1HB SER 7 2.116 0.127 12.562 48 2HB SER 7 2HB SER 7 0.369 0.245 12.488 49 HG SER 7 HG SER 7 2.017 -2.039 12.944 50 H ALA 8 H ALA 8 2.383 1.247 9.033 51 HA ALA 8 HA ALA 8 4.313 1.270 7.888 52 1HB ALA 8 1HB ALA 8 4.606 2.048 10.477 53 2HB ALA 8 2HB ALA 8 5.844 0.772 10.392 54 3HB ALA 8 3HB ALA 8 5.907 2.149 9.267 55 H ASN 9 H ASN 9 6.875 0.026 8.614 56 HA ASN 9 HA ASN 9 8.011 -1.786 8.260 57 1HB ASN 9 1HB ASN 9 5.718 -2.734 9.791 58 2HB ASN 9 2HB ASN 9 6.173 -3.969 8.633 59 2HD2 ASN 9 2HD2 ASN 9 6.548 -4.920 10.893 60 1HD2 ASN 9 1HD2 ASN 9 8.163 -4.832 11.513 61 H GLN 10 H GLN 10 4.715 -3.103 7.443 62 HA GLN 10 HA GLN 10 5.596 -4.218 5.055 63 1HB GLN 10 1HB GLN 10 3.417 -4.572 6.615 64 2HB GLN 10 2HB GLN 10 2.691 -3.537 5.401 65 1HG GLN 10 1HG GLN 10 2.451 -5.383 4.102 66 2HG GLN 10 2HG GLN 10 4.190 -5.368 3.881 67 2HE2 GLN 10 2HE2 GLN 10 1.500 -6.938 5.254 68 1HE2 GLN 10 1HE2 GLN 10 2.311 -8.223 6.085 69 H CYS 11 H CYS 11 4.056 -1.085 5.877 70 HA CYS 11 HA CYS 11 4.320 -0.349 3.053 71 1HB CYS 11 1HB CYS 11 2.591 1.218 4.914 72 2HB CYS 11 2HB CYS 11 2.463 0.995 3.181 73 H ALA 12 H ALA 12 6.628 -0.368 4.615 74 HA ALA 12 HA ALA 12 6.955 2.463 5.341 75 1HB ALA 12 1HB ALA 12 9.066 1.136 6.500 76 2HB ALA 12 2HB ALA 12 7.539 1.529 7.326 77 3HB ALA 12 3HB ALA 12 7.774 -0.083 6.609 78 H VAL 13 H VAL 13 7.026 2.113 2.691 79 HA VAL 13 HA VAL 13 9.750 1.447 1.924 80 HB VAL 13 HB VAL 13 7.845 2.456 -0.084 81 1HG1 VAL 13 1HG1 VAL 13 10.045 0.537 0.162 82 2HG1 VAL 13 2HG1 VAL 13 8.678 -0.092 -0.788 83 3HG1 VAL 13 3HG1 VAL 13 9.460 1.436 -1.259 84 1HG2 VAL 13 1HG2 VAL 13 7.191 0.092 1.665 85 2HG2 VAL 13 2HG2 VAL 13 6.126 1.384 1.063 86 3HG2 VAL 13 3HG2 VAL 13 6.699 0.115 -0.045 87 HA PRO 14 HA PRO 14 10.969 5.588 1.737 88 1HB PRO 14 1HB PRO 14 12.999 5.479 -0.089 89 2HB PRO 14 2HB PRO 14 13.191 5.006 1.587 90 1HG PRO 14 1HG PRO 14 12.970 3.289 -0.809 91 2HG PRO 14 2HG PRO 14 13.577 2.879 0.783 92 1HD PRO 14 1HD PRO 14 11.020 2.180 -0.310 93 2HD PRO 14 2HD PRO 14 11.582 1.871 1.320 94 H ALA 15 H ALA 15 9.199 4.199 -0.589 95 HA ALA 15 HA ALA 15 7.769 5.248 -1.981 96 1HB ALA 15 1HB ALA 15 9.378 7.758 -2.215 97 2HB ALA 15 2HB ALA 15 7.616 7.537 -2.094 98 3HB ALA 15 3HB ALA 15 8.630 7.417 -0.636 99 H LYS 16 H LYS 16 11.291 5.292 -2.267 100 HA LYS 16 HA LYS 16 11.151 5.416 -5.158 101 1HB LYS 16 1HB LYS 16 13.583 5.436 -5.053 102 2HB LYS 16 2HB LYS 16 12.906 6.655 -3.992 103 1HG LYS 16 1HG LYS 16 14.356 5.735 -2.462 104 2HG LYS 16 2HG LYS 16 13.046 4.597 -2.218 105 1HD LYS 16 1HD LYS 16 14.981 3.236 -2.551 106 2HD LYS 16 2HD LYS 16 14.111 3.155 -4.070 107 1HE LYS 16 1HE LYS 16 15.599 5.141 -4.848 108 2HE LYS 16 2HE LYS 16 16.582 4.821 -3.433 109 1HZ LYS 16 1HZ LYS 16 16.332 2.391 -4.470 110 2HZ LYS 16 2HZ LYS 16 16.317 3.289 -5.834 111 3HZ LYS 16 3HZ LYS 16 17.576 3.396 -4.799 112 H ASP 17 H ASP 17 10.277 3.131 -3.029 113 HA ASP 17 HA ASP 17 11.368 1.033 -4.731 114 1HB ASP 17 1HB ASP 17 11.740 1.388 -1.913 115 2HB ASP 17 2HB ASP 17 10.629 0.045 -2.094 116 H ARG 18 H ARG 18 8.773 2.732 -4.553 117 HA ARG 18 HA ARG 18 6.814 0.946 -3.584 118 1HB ARG 18 1HB ARG 18 6.336 3.276 -5.494 119 2HB ARG 18 2HB ARG 18 5.217 2.615 -4.319 120 1HG ARG 18 1HG ARG 18 7.864 3.726 -3.359 121 2HG ARG 18 2HG ARG 18 6.579 4.839 -3.783 122 1HD ARG 18 1HD ARG 18 5.252 2.928 -2.218 123 2HD ARG 18 2HD ARG 18 6.815 3.055 -1.435 124 HE ARG 18 HE ARG 18 5.503 5.622 -2.105 125 1HH1 ARG 18 1HH1 ARG 18 6.166 3.185 0.345 126 2HH1 ARG 18 2HH1 ARG 18 5.807 4.239 1.672 127 1HH2 ARG 18 1HH2 ARG 18 5.029 7.012 -0.355 128 2HH2 ARG 18 2HH2 ARG 18 5.156 6.430 1.272 129 H VAL 19 H VAL 19 5.586 -0.575 -4.735 130 HA VAL 19 HA VAL 19 6.472 -1.079 -7.457 131 HB VAL 19 HB VAL 19 4.605 -2.718 -5.743 132 1HG1 VAL 19 1HG1 VAL 19 5.957 -3.059 -8.352 133 2HG1 VAL 19 2HG1 VAL 19 6.056 -4.460 -7.259 134 3HG1 VAL 19 3HG1 VAL 19 4.468 -3.802 -7.721 135 1HG2 VAL 19 1HG2 VAL 19 7.424 -2.178 -5.328 136 2HG2 VAL 19 2HG2 VAL 19 6.288 -3.118 -4.331 137 3HG2 VAL 19 3HG2 VAL 19 7.152 -3.902 -5.676 138 H ASP 20 H ASP 20 4.095 0.723 -5.857 139 HA ASP 20 HA ASP 20 2.222 1.640 -6.451 140 1HB ASP 20 1HB ASP 20 3.308 2.601 -8.340 141 2HB ASP 20 2HB ASP 20 3.441 1.061 -9.165 142 H CYS 21 H CYS 21 0.461 0.372 -5.783 143 HA CYS 21 HA CYS 21 -0.018 -2.185 -6.889 144 1HB CYS 21 1HB CYS 21 -0.720 -0.906 -4.576 145 2HB CYS 21 2HB CYS 21 -2.233 -0.868 -5.460 146 H GLY 22 H GLY 22 -0.565 1.024 -7.954 147 1HA GLY 22 1HA GLY 22 -1.806 0.354 -10.325 148 2HA GLY 22 2HA GLY 22 -1.807 1.943 -9.587 149 H TYR 23 H TYR 23 -3.513 2.446 -7.939 150 HA TYR 23 HA TYR 23 -6.004 1.177 -8.743 151 1HB TYR 23 1HB TYR 23 -4.619 0.394 -6.452 152 2HB TYR 23 2HB TYR 23 -5.549 1.732 -5.808 153 HD1 TYR 23 HD1 TYR 23 -6.530 -0.792 -8.395 154 HD2 TYR 23 HD2 TYR 23 -7.179 0.739 -4.453 155 HE1 TYR 23 HE1 TYR 23 -8.547 -2.317 -8.127 156 HE2 TYR 23 HE2 TYR 23 -9.194 -0.791 -4.199 157 HH TYR 23 HH TYR 23 -10.546 -2.165 -5.203 158 HA PRO 24 HA PRO 24 -7.311 5.291 -8.400 159 1HB PRO 24 1HB PRO 24 -10.022 4.955 -8.482 160 2HB PRO 24 2HB PRO 24 -9.012 4.947 -9.914 161 1HG PRO 24 1HG PRO 24 -10.289 2.666 -8.533 162 2HG PRO 24 2HG PRO 24 -9.648 2.744 -10.162 163 1HD PRO 24 1HD PRO 24 -8.413 1.504 -7.889 164 2HD PRO 24 2HD PRO 24 -7.722 1.684 -9.490 165 H HIS 25 H HIS 25 -10.075 3.981 -6.750 166 HA HIS 25 HA HIS 25 -9.921 5.846 -4.723 167 1HB HIS 25 1HB HIS 25 -11.513 4.289 -3.534 168 2HB HIS 25 2HB HIS 25 -11.992 4.810 -5.137 169 HD1 HIS 25 HD1 HIS 25 -13.541 2.682 -5.314 170 HD2 HIS 25 HD2 HIS 25 -9.439 1.861 -4.999 171 HE1 HIS 25 HE1 HIS 25 -13.251 0.229 -5.954 172 HE2 HIS 25 HE2 HIS 25 -10.705 -0.203 -5.794 173 H VAL 26 H VAL 26 -7.731 5.948 -3.966 174 HA VAL 26 HA VAL 26 -6.977 3.623 -2.332 175 HB VAL 26 HB VAL 26 -4.658 4.395 -2.637 176 1HG1 VAL 26 1HG1 VAL 26 -6.373 3.563 -4.951 177 2HG1 VAL 26 2HG1 VAL 26 -4.661 3.949 -5.246 178 3HG1 VAL 26 3HG1 VAL 26 -5.098 2.666 -4.092 179 1HG2 VAL 26 1HG2 VAL 26 -5.932 6.738 -3.668 180 2HG2 VAL 26 2HG2 VAL 26 -4.198 6.438 -3.398 181 3HG2 VAL 26 3HG2 VAL 26 -4.940 6.026 -4.963 182 H THR 27 H THR 27 -7.111 3.945 -0.177 183 HA THR 27 HA THR 27 -6.562 6.633 0.839 184 HB THR 27 HB THR 27 -8.660 6.833 1.895 185 HG1 THR 27 HG1 THR 27 -9.486 4.980 2.813 186 1HG2 THR 27 1HG2 THR 27 -9.036 6.640 -0.646 187 2HG2 THR 27 2HG2 THR 27 -9.440 4.929 -0.369 188 3HG2 THR 27 3HG2 THR 27 -10.441 6.209 0.358 189 HA PRO 28 HA PRO 28 -4.643 4.559 4.075 190 1HB PRO 28 1HB PRO 28 -5.314 5.927 6.344 191 2HB PRO 28 2HB PRO 28 -4.115 6.497 5.201 192 1HG PRO 28 1HG PRO 28 -6.880 7.456 5.619 193 2HG PRO 28 2HG PRO 28 -5.550 8.260 4.810 194 1HD PRO 28 1HD PRO 28 -7.778 6.952 3.564 195 2HD PRO 28 2HD PRO 28 -6.390 7.654 2.758 196 H LYS 29 H LYS 29 -7.109 3.366 3.247 197 HA LYS 29 HA LYS 29 -7.319 1.491 5.314 198 1HB LYS 29 1HB LYS 29 -8.573 3.617 6.220 199 2HB LYS 29 2HB LYS 29 -9.852 3.098 5.142 200 1HG LYS 29 1HG LYS 29 -8.776 0.825 6.654 201 2HG LYS 29 2HG LYS 29 -9.304 2.099 7.735 202 1HD LYS 29 1HD LYS 29 -11.535 2.134 6.704 203 2HD LYS 29 2HD LYS 29 -11.024 1.011 5.459 204 1HE LYS 29 1HE LYS 29 -11.887 -0.588 6.855 205 2HE LYS 29 2HE LYS 29 -10.363 -0.430 7.706 206 1HZ LYS 29 1HZ LYS 29 -11.444 1.312 9.051 207 2HZ LYS 29 2HZ LYS 29 -12.870 0.962 8.336 208 3HZ LYS 29 3HZ LYS 29 -12.113 -0.165 9.243 209 H GLU 30 H GLU 30 -8.834 3.164 2.517 210 HA GLU 30 HA GLU 30 -10.202 0.812 1.719 211 1HB GLU 30 1HB GLU 30 -10.505 3.489 1.187 212 2HB GLU 30 2HB GLU 30 -9.718 2.964 -0.288 213 1HG GLU 30 1HG GLU 30 -11.497 1.608 -0.932 214 2HG GLU 30 2HG GLU 30 -11.950 1.226 0.717 215 H CYS 31 H CYS 31 -7.100 2.425 0.966 216 HA CYS 31 HA CYS 31 -6.569 0.745 -1.272 217 1HB CYS 31 1HB CYS 31 -5.502 2.757 -1.489 218 2HB CYS 31 2HB CYS 31 -5.119 2.880 0.216 219 H ASN 32 H ASN 32 -6.219 0.650 2.234 220 HA ASN 32 HA ASN 32 -4.302 -1.500 2.049 221 1HB ASN 32 1HB ASN 32 -5.568 -0.407 4.601 222 2HB ASN 32 2HB ASN 32 -4.034 -1.239 4.441 223 2HD2 ASN 32 2HD2 ASN 32 -2.400 0.048 4.757 224 1HD2 ASN 32 1HD2 ASN 32 -2.229 1.689 4.229 225 H ASN 33 H ASN 33 -7.592 -1.121 1.730 226 HA ASN 33 HA ASN 33 -8.298 -3.383 3.385 227 1HB ASN 33 1HB ASN 33 -9.888 -1.570 3.529 228 2HB ASN 33 2HB ASN 33 -9.890 -1.325 1.794 229 2HD2 ASN 33 2HD2 ASN 33 -12.031 -1.582 1.463 230 1HD2 ASN 33 1HD2 ASN 33 -12.895 -3.070 1.665 231 H ARG 34 H ARG 34 -8.349 -2.173 -0.035 232 HA ARG 34 HA ARG 34 -9.553 -4.296 -1.213 233 1HB ARG 34 1HB ARG 34 -8.541 -1.986 -2.139 234 2HB ARG 34 2HB ARG 34 -7.182 -3.001 -2.580 235 1HG ARG 34 1HG ARG 34 -10.044 -3.138 -3.565 236 2HG ARG 34 2HG ARG 34 -8.567 -3.066 -4.505 237 1HD ARG 34 1HD ARG 34 -7.971 -5.383 -3.684 238 2HD ARG 34 2HD ARG 34 -9.502 -5.450 -2.833 239 HE ARG 34 HE ARG 34 -10.077 -4.758 -5.529 240 1HH1 ARG 34 1HH1 ARG 34 -8.772 -7.483 -3.725 241 2HH1 ARG 34 2HH1 ARG 34 -9.314 -8.664 -4.870 242 1HH2 ARG 34 1HH2 ARG 34 -10.793 -6.316 -7.039 243 2HH2 ARG 34 2HH2 ARG 34 -10.471 -7.996 -6.768 244 H GLY 35 H GLY 35 -6.184 -3.902 -0.074 245 1HA GLY 35 1HA GLY 35 -5.595 -6.656 -0.983 246 2HA GLY 35 2HA GLY 35 -5.214 -6.083 0.629 247 H CYS 36 H CYS 36 -3.817 -3.998 0.733 248 HA CYS 36 HA CYS 36 -1.433 -4.492 -0.574 249 1HB CYS 36 1HB CYS 36 -3.226 -3.188 -2.293 250 2HB CYS 36 2HB CYS 36 -2.145 -1.930 -1.726 251 H CYS 37 H CYS 37 -0.570 -1.654 -0.685 252 HA CYS 37 HA CYS 37 -1.008 -0.936 2.122 253 1HB CYS 37 1HB CYS 37 1.522 -1.154 0.548 254 2HB CYS 37 2HB CYS 37 1.400 0.108 1.758 255 H PHE 38 H PHE 38 -1.090 1.383 2.536 256 HA PHE 38 HA PHE 38 -1.508 2.941 0.082 257 1HB PHE 38 1HB PHE 38 -3.581 2.565 1.391 258 2HB PHE 38 2HB PHE 38 -2.763 2.971 2.886 259 HD1 PHE 38 HD1 PHE 38 -4.024 4.377 -0.291 260 HD2 PHE 38 HD2 PHE 38 -2.595 5.220 3.615 261 HE1 PHE 38 HE1 PHE 38 -4.760 6.765 -0.536 262 HE2 PHE 38 HE2 PHE 38 -3.331 7.607 3.370 263 HZ PHE 38 HZ PHE 38 -4.404 8.351 1.297 264 H ASP 39 H ASP 39 -1.376 5.453 0.685 265 HA ASP 39 HA ASP 39 0.254 6.229 2.765 266 1HB ASP 39 1HB ASP 39 2.092 5.066 1.690 267 2HB ASP 39 2HB ASP 39 1.664 5.705 0.116 268 H SER 40 H SER 40 0.501 8.590 2.706 269 HA SER 40 HA SER 40 -0.466 9.852 0.281 270 1HB SER 40 1HB SER 40 -1.984 11.315 1.552 271 2HB SER 40 2HB SER 40 -2.425 9.634 1.779 272 HG SER 40 HG SER 40 -0.733 10.049 3.743 273 H ARG 41 H ARG 41 2.101 9.434 2.083 274 HA ARG 41 HA ARG 41 2.731 11.859 3.211 275 1HB ARG 41 1HB ARG 41 3.941 9.442 3.138 276 2HB ARG 41 2HB ARG 41 4.898 10.219 1.893 277 1HG ARG 41 1HG ARG 41 5.810 11.802 3.375 278 2HG ARG 41 2HG ARG 41 4.452 11.712 4.479 279 1HD ARG 41 1HD ARG 41 5.191 9.320 5.045 280 2HD ARG 41 2HD ARG 41 6.638 9.612 4.100 281 HE ARG 41 HE ARG 41 6.653 11.764 5.792 282 1HH1 ARG 41 1HH1 ARG 41 6.228 8.321 6.379 283 2HH1 ARG 41 2HH1 ARG 41 6.908 8.378 7.971 284 1HH2 ARG 41 1HH2 ARG 41 7.550 11.841 7.892 285 2HH2 ARG 41 2HH2 ARG 41 7.665 10.394 8.837 286 H ILE 42 H ILE 42 3.309 10.542 -0.113 287 HA ILE 42 HA ILE 42 3.550 13.272 -1.070 288 HB ILE 42 HB ILE 42 5.546 12.070 -2.492 289 1HG1 ILE 42 1HG1 ILE 42 7.087 11.082 -0.812 290 2HG1 ILE 42 2HG1 ILE 42 5.799 11.116 0.376 291 1HG2 ILE 42 1HG2 ILE 42 5.483 14.359 -1.569 292 2HG2 ILE 42 2HG2 ILE 42 5.873 13.704 0.039 293 3HG2 ILE 42 3HG2 ILE 42 7.043 13.548 -1.293 294 1HD1 ILE 42 1HD1 ILE 42 5.014 9.856 -2.196 295 2HD1 ILE 42 2HD1 ILE 42 6.308 9.001 -1.322 296 3HD1 ILE 42 3HD1 ILE 42 4.744 9.299 -0.527 297 HA PRO 43 HA PRO 43 1.094 11.400 -4.110 298 1HB PRO 43 1HB PRO 43 0.835 13.528 -5.806 299 2HB PRO 43 2HB PRO 43 -0.152 13.318 -4.373 300 1HG PRO 43 1HG PRO 43 2.104 15.177 -4.813 301 2HG PRO 43 2HG PRO 43 0.855 15.238 -3.585 302 1HD PRO 43 1HD PRO 43 3.571 14.385 -3.231 303 2HD PRO 43 2HD PRO 43 2.292 14.337 -2.033 304 H GLY 44 H GLY 44 4.010 13.091 -5.025 305 1HA GLY 44 1HA GLY 44 5.669 12.362 -6.390 306 2HA GLY 44 2HA GLY 44 4.393 12.428 -7.590 307 H VAL 45 H VAL 45 4.896 10.188 -4.775 308 HA VAL 45 HA VAL 45 5.454 8.021 -6.609 309 HB VAL 45 HB VAL 45 6.291 6.908 -4.806 310 1HG1 VAL 45 1HG1 VAL 45 7.086 9.483 -5.036 311 2HG1 VAL 45 2HG1 VAL 45 6.558 9.476 -3.337 312 3HG1 VAL 45 3HG1 VAL 45 7.803 8.329 -3.886 313 1HG2 VAL 45 1HG2 VAL 45 4.164 8.309 -3.192 314 2HG2 VAL 45 2HG2 VAL 45 4.447 6.566 -3.416 315 3HG2 VAL 45 3HG2 VAL 45 5.547 7.522 -2.394 316 HA PRO 46 HA PRO 46 1.524 6.223 -6.422 317 1HB PRO 46 1HB PRO 46 1.958 3.547 -6.080 318 2HB PRO 46 2HB PRO 46 2.160 4.361 -7.619 319 1HG PRO 46 1HG PRO 46 4.234 3.399 -5.745 320 2HG PRO 46 2HG PRO 46 4.394 3.817 -7.439 321 1HD PRO 46 1HD PRO 46 5.216 5.403 -5.194 322 2HD PRO 46 2HD PRO 46 5.270 5.869 -6.883 323 H TRP 47 H TRP 47 0.564 7.291 -4.694 324 HA TRP 47 HA TRP 47 0.887 6.975 -2.108 325 1HB TRP 47 1HB TRP 47 -1.555 7.273 -3.775 326 2HB TRP 47 2HB TRP 47 -1.790 6.881 -2.083 327 HD1 TRP 47 HD1 TRP 47 1.120 9.195 -3.105 328 HE1 TRP 47 HE1 TRP 47 0.755 11.647 -2.201 329 HE3 TRP 47 HE3 TRP 47 -3.620 8.433 -1.429 330 HZ2 TRP 47 HZ2 TRP 47 -1.426 12.963 -0.915 331 HZ3 TRP 47 HZ3 TRP 47 -4.797 10.354 -0.361 332 HH2 TRP 47 HH2 TRP 47 -3.776 12.559 -0.092 333 H CYS 48 H CYS 48 -1.087 4.677 -4.127 334 HA CYS 48 HA CYS 48 -0.998 2.785 -1.932 335 1HB CYS 48 1HB CYS 48 -3.093 3.361 -3.298 336 2HB CYS 48 2HB CYS 48 -2.384 2.400 -4.581 337 H PHE 49 H PHE 49 0.785 1.460 -1.850 338 HA PHE 49 HA PHE 49 1.783 0.442 -4.409 339 1HB PHE 49 1HB PHE 49 4.086 0.609 -3.170 340 2HB PHE 49 2HB PHE 49 3.393 2.119 -3.727 341 HD1 PHE 49 HD1 PHE 49 3.499 -0.064 -0.706 342 HD2 PHE 49 HD2 PHE 49 3.172 3.881 -2.236 343 HE1 PHE 49 HE1 PHE 49 3.617 0.852 1.628 344 HE2 PHE 49 HE2 PHE 49 3.290 4.796 0.098 345 HZ PHE 49 HZ PHE 49 3.511 3.271 2.002 346 H LYS 50 H LYS 50 3.236 -1.552 -4.047 347 HA LYS 50 HA LYS 50 1.771 -3.393 -2.479 348 1HB LYS 50 1HB LYS 50 4.377 -3.618 -4.010 349 2HB LYS 50 2HB LYS 50 3.597 -4.970 -3.215 350 1HG LYS 50 1HG LYS 50 1.460 -4.007 -4.606 351 2HG LYS 50 2HG LYS 50 2.745 -3.453 -5.661 352 1HD LYS 50 1HD LYS 50 3.511 -6.084 -5.060 353 2HD LYS 50 2HD LYS 50 1.766 -6.198 -5.182 354 1HE LYS 50 1HE LYS 50 2.461 -4.566 -7.364 355 2HE LYS 50 2HE LYS 50 3.764 -5.736 -7.306 356 1HZ LYS 50 1HZ LYS 50 2.087 -7.480 -7.258 357 2HZ LYS 50 2HZ LYS 50 0.896 -6.370 -7.378 358 3HZ LYS 50 3HZ LYS 50 1.958 -6.563 -8.603 359 HA PRO 51 HA PRO 51 3.983 -3.330 1.226 360 1HB PRO 51 1HB PRO 51 4.073 -5.949 2.001 361 2HB PRO 51 2HB PRO 51 2.650 -4.944 2.186 362 1HG PRO 51 1HG PRO 51 3.166 -7.082 0.210 363 2HG PRO 51 2HG PRO 51 1.636 -6.372 0.685 364 1HD PRO 51 1HD PRO 51 3.098 -5.844 -1.725 365 2HD PRO 51 2HD PRO 51 1.628 -5.050 -1.196 366 H LEU 52 H LEU 52 6.006 -2.733 1.640 367 HA LEU 52 HA LEU 52 8.106 -3.185 0.114 368 1HB LEU 52 1HB LEU 52 8.286 -1.750 1.967 369 2HB LEU 52 2HB LEU 52 7.936 -3.030 3.112 370 HG LEU 52 HG LEU 52 10.445 -2.942 1.418 371 1HD1 LEU 52 1HD1 LEU 52 9.737 -1.371 3.740 372 2HD1 LEU 52 2HD1 LEU 52 11.120 -2.436 4.091 373 3HD1 LEU 52 3HD1 LEU 52 11.193 -1.306 2.717 374 1HD2 LEU 52 1HD2 LEU 52 9.283 -4.922 3.176 375 2HD2 LEU 52 2HD2 LEU 52 10.716 -5.029 2.125 376 3HD2 LEU 52 3HD2 LEU 52 10.871 -4.390 3.779 377 H GLN 53 H GLN 53 9.562 -4.777 -0.447 378 HA GLN 53 HA GLN 53 8.732 -7.399 -0.113 379 1HB GLN 53 1HB GLN 53 11.000 -5.968 -1.363 380 2HB GLN 53 2HB GLN 53 11.420 -7.579 -0.817 381 1HG GLN 53 1HG GLN 53 10.537 -7.502 -3.187 382 2HG GLN 53 2HG GLN 53 9.651 -8.590 -2.137 383 2HE2 GLN 53 2HE2 GLN 53 9.579 -5.048 -2.323 384 1HE2 GLN 53 1HE2 GLN 53 7.908 -4.877 -2.745 385 H GLU 54 H GLU 54 8.444 -7.542 2.259 386 HA GLU 54 HA GLU 54 10.290 -7.094 4.138 387 1HB GLU 54 1HB GLU 54 9.022 -8.484 5.545 388 2HB GLU 54 2HB GLU 54 7.870 -8.063 4.293 389 1HG GLU 54 1HG GLU 54 7.592 -10.389 4.411 390 2HG GLU 54 2HG GLU 54 8.735 -10.246 3.089 391 H ALA 55 H ALA 55 12.348 -7.778 4.547 392 HA ALA 55 HA ALA 55 13.056 -10.513 3.885 393 1HB ALA 55 1HB ALA 55 15.036 -9.812 2.604 394 2HB ALA 55 2HB ALA 55 13.548 -9.220 1.828 395 3HB ALA 55 3HB ALA 55 14.560 -8.106 2.778 396 H GLU 56 H GLU 56 12.962 -10.580 6.267 397 HA GLU 56 HA GLU 56 15.526 -9.997 7.324 398 1HB GLU 56 1HB GLU 56 14.781 -8.557 9.186 399 2HB GLU 56 2HB GLU 56 14.472 -7.787 7.642 400 1HG GLU 56 1HG GLU 56 12.158 -9.377 8.276 401 2HG GLU 56 2HG GLU 56 12.580 -8.479 9.721 402 H CYS 57 H CYS 57 14.710 -12.459 6.995 403 HA CYS 57 HA CYS 57 13.634 -13.248 9.603 404 1HB CYS 57 1HB CYS 57 12.988 -14.307 6.866 405 2HB CYS 57 2HB CYS 57 12.845 -15.338 8.276 406 H THR 58 H THR 58 14.286 -15.755 9.931 407 HA THR 58 HA THR 58 16.949 -15.940 10.328 408 HB THR 58 HB THR 58 15.132 -17.505 11.133 409 HG1 THR 58 HG1 THR 58 17.539 -17.975 10.993 410 1HG2 THR 58 1HG2 THR 58 14.080 -17.899 8.835 411 2HG2 THR 58 2HG2 THR 58 15.536 -18.825 8.400 412 3HG2 THR 58 3HG2 THR 58 14.480 -19.392 9.716 413 H PHE 59 H PHE 59 18.808 -16.383 9.247 414 HA PHE 59 HA PHE 59 20.154 -16.410 7.490 415 1HB PHE 59 1HB PHE 59 18.632 -18.753 7.640 416 2HB PHE 59 2HB PHE 59 18.335 -18.270 5.981 417 HD1 PHE 59 HD1 PHE 59 20.367 -17.865 4.480 418 HD2 PHE 59 HD2 PHE 59 20.618 -19.851 8.222 419 HE1 PHE 59 HE1 PHE 59 22.555 -18.885 3.792 420 HE2 PHE 59 HE2 PHE 59 22.806 -20.871 7.534 421 HZ PHE 59 HZ PHE 59 23.748 -20.376 5.327 No H/Q in entry = 421 Start of MODEL 47 1 H GLU 1 H GLU 1 3.597 -13.633 20.732 2 HA GLU 1 HA GLU 1 5.644 -14.351 20.042 3 1HB GLU 1 1HB GLU 1 5.308 -16.464 21.589 4 2HB GLU 1 2HB GLU 1 4.798 -17.258 20.112 5 1HG GLU 1 1HG GLU 1 7.208 -15.769 19.536 6 2HG GLU 1 2HG GLU 1 7.483 -16.695 20.998 7 H GLU 2 H GLU 2 4.186 -13.200 18.353 8 HA GLU 2 HA GLU 2 4.465 -14.514 15.958 9 1HB GLU 2 1HB GLU 2 1.981 -15.175 17.340 10 2HB GLU 2 2HB GLU 2 1.634 -14.350 15.833 11 1HG GLU 2 1HG GLU 2 3.717 -16.536 15.811 12 2HG GLU 2 2HG GLU 2 2.031 -17.003 15.915 13 H TYR 3 H TYR 3 5.422 -12.210 16.204 14 HA TYR 3 HA TYR 3 3.456 -10.101 15.897 15 1HB TYR 3 1HB TYR 3 5.969 -10.387 17.058 16 2HB TYR 3 2HB TYR 3 6.432 -9.752 15.492 17 HD1 TYR 3 HD1 TYR 3 3.563 -8.957 17.784 18 HD2 TYR 3 HD2 TYR 3 7.019 -7.518 15.714 19 HE1 TYR 3 HE1 TYR 3 3.072 -6.596 18.590 20 HE2 TYR 3 HE2 TYR 3 6.517 -5.162 16.527 21 HH TYR 3 HH TYR 3 4.660 -4.472 19.008 22 H VAL 4 H VAL 4 4.364 -8.326 14.159 23 HA VAL 4 HA VAL 4 5.439 -9.390 11.782 24 HB VAL 4 HB VAL 4 3.106 -10.415 11.889 25 1HG1 VAL 4 1HG1 VAL 4 2.375 -7.711 12.290 26 2HG1 VAL 4 2HG1 VAL 4 1.786 -8.160 10.671 27 3HG1 VAL 4 3HG1 VAL 4 1.303 -9.118 12.091 28 1HG2 VAL 4 1HG2 VAL 4 4.551 -9.172 9.689 29 2HG2 VAL 4 2HG2 VAL 4 3.705 -10.737 9.760 30 3HG2 VAL 4 3HG2 VAL 4 2.802 -9.255 9.364 31 H GLY 5 H GLY 5 3.547 -7.439 10.251 32 1HA GLY 5 1HA GLY 5 4.985 -5.312 9.820 33 2HA GLY 5 2HA GLY 5 4.423 -4.897 11.427 34 H LEU 6 H LEU 6 1.788 -6.278 11.131 35 HA LEU 6 HA LEU 6 0.288 -5.691 9.007 36 1HB LEU 6 1HB LEU 6 -0.156 -6.400 11.623 37 2HB LEU 6 2HB LEU 6 -0.989 -4.862 11.514 38 HG LEU 6 HG LEU 6 -1.523 -6.771 9.304 39 1HD1 LEU 6 1HD1 LEU 6 -1.577 -7.749 11.945 40 2HD1 LEU 6 2HD1 LEU 6 -3.272 -7.449 11.489 41 3HD1 LEU 6 3HD1 LEU 6 -2.252 -8.503 10.481 42 1HD2 LEU 6 1HD2 LEU 6 -2.569 -4.434 9.815 43 2HD2 LEU 6 2HD2 LEU 6 -3.597 -5.766 9.236 44 3HD2 LEU 6 3HD2 LEU 6 -3.576 -5.346 10.965 45 H SER 7 H SER 7 0.678 -3.930 7.711 46 HA SER 7 HA SER 7 0.572 -1.874 7.023 47 1HB SER 7 1HB SER 7 -0.991 -0.365 7.935 48 2HB SER 7 2HB SER 7 -1.611 -1.927 8.434 49 HG SER 7 HG SER 7 -0.102 -0.041 10.025 50 H ALA 8 H ALA 8 1.750 0.186 7.173 51 HA ALA 8 HA ALA 8 3.226 1.640 8.036 52 1HB ALA 8 1HB ALA 8 3.545 1.808 10.291 53 2HB ALA 8 2HB ALA 8 2.205 0.637 10.349 54 3HB ALA 8 3HB ALA 8 3.888 0.071 10.479 55 H ASN 9 H ASN 9 4.392 -1.488 9.457 56 HA ASN 9 HA ASN 9 6.955 -1.177 8.601 57 1HB ASN 9 1HB ASN 9 5.646 -3.031 10.109 58 2HB ASN 9 2HB ASN 9 5.808 -3.968 8.637 59 2HD2 ASN 9 2HD2 ASN 9 7.028 -4.902 10.791 60 1HD2 ASN 9 1HD2 ASN 9 8.748 -4.710 10.724 61 H GLN 10 H GLN 10 4.541 -3.552 7.231 62 HA GLN 10 HA GLN 10 5.944 -4.152 4.982 63 1HB GLN 10 1HB GLN 10 3.591 -4.710 4.027 64 2HB GLN 10 2HB GLN 10 4.107 -5.543 5.480 65 1HG GLN 10 1HG GLN 10 2.709 -4.237 6.888 66 2HG GLN 10 2HG GLN 10 2.572 -2.940 5.718 67 2HE2 GLN 10 2HE2 GLN 10 2.119 -6.476 5.626 68 1HE2 GLN 10 1HE2 GLN 10 0.522 -6.474 4.956 69 H CYS 11 H CYS 11 4.202 -1.222 5.783 70 HA CYS 11 HA CYS 11 4.434 -0.367 2.990 71 1HB CYS 11 1HB CYS 11 2.743 1.176 4.879 72 2HB CYS 11 2HB CYS 11 2.544 0.884 3.163 73 H ALA 12 H ALA 12 6.763 -0.439 4.524 74 HA ALA 12 HA ALA 12 7.088 2.366 5.348 75 1HB ALA 12 1HB ALA 12 9.019 0.255 6.216 76 2HB ALA 12 2HB ALA 12 7.398 0.221 6.949 77 3HB ALA 12 3HB ALA 12 8.410 1.678 7.095 78 H VAL 13 H VAL 13 7.132 2.068 2.677 79 HA VAL 13 HA VAL 13 9.869 1.476 1.886 80 HB VAL 13 HB VAL 13 7.921 2.452 -0.097 81 1HG1 VAL 13 1HG1 VAL 13 10.172 0.577 0.114 82 2HG1 VAL 13 2HG1 VAL 13 8.823 -0.039 -0.870 83 3HG1 VAL 13 3HG1 VAL 13 9.586 1.516 -1.280 84 1HG2 VAL 13 1HG2 VAL 13 7.359 0.043 1.622 85 2HG2 VAL 13 2HG2 VAL 13 6.246 1.307 1.045 86 3HG2 VAL 13 3HG2 VAL 13 6.855 0.074 -0.085 87 HA PRO 14 HA PRO 14 10.963 5.655 1.762 88 1HB PRO 14 1HB PRO 14 13.024 5.616 -0.032 89 2HB PRO 14 2HB PRO 14 13.204 5.140 1.645 90 1HG PRO 14 1HG PRO 14 13.073 3.430 -0.763 91 2HG PRO 14 2HG PRO 14 13.667 3.030 0.837 92 1HD PRO 14 1HD PRO 14 11.149 2.260 -0.302 93 2HD PRO 14 2HD PRO 14 11.694 1.960 1.336 94 H ALA 15 H ALA 15 9.278 4.224 -0.603 95 HA ALA 15 HA ALA 15 7.830 5.251 -2.000 96 1HB ALA 15 1HB ALA 15 9.395 7.785 -2.241 97 2HB ALA 15 2HB ALA 15 7.637 7.534 -2.114 98 3HB ALA 15 3HB ALA 15 8.657 7.441 -0.658 99 H LYS 16 H LYS 16 11.359 5.390 -2.262 100 HA LYS 16 HA LYS 16 11.235 5.476 -5.153 101 1HB LYS 16 1HB LYS 16 13.659 5.577 -5.038 102 2HB LYS 16 2HB LYS 16 12.948 6.770 -3.971 103 1HG LYS 16 1HG LYS 16 14.444 5.878 -2.462 104 2HG LYS 16 2HG LYS 16 13.146 4.730 -2.197 105 1HD LYS 16 1HD LYS 16 14.610 3.091 -2.767 106 2HD LYS 16 2HD LYS 16 14.497 3.668 -4.418 107 1HE LYS 16 1HE LYS 16 16.509 4.863 -4.295 108 2HE LYS 16 2HE LYS 16 16.378 5.125 -2.568 109 1HZ LYS 16 1HZ LYS 16 16.691 2.402 -3.530 110 2HZ LYS 16 2HZ LYS 16 18.001 3.376 -3.514 111 3HZ LYS 16 3HZ LYS 16 17.197 3.068 -2.127 112 H ASP 17 H ASP 17 10.292 3.198 -3.123 113 HA ASP 17 HA ASP 17 11.494 1.113 -4.756 114 1HB ASP 17 1HB ASP 17 11.798 1.484 -1.923 115 2HB ASP 17 2HB ASP 17 10.745 0.100 -2.138 116 H ARG 18 H ARG 18 8.856 2.771 -4.575 117 HA ARG 18 HA ARG 18 6.930 0.926 -3.652 118 1HB ARG 18 1HB ARG 18 6.404 3.272 -5.529 119 2HB ARG 18 2HB ARG 18 5.303 2.573 -4.358 120 1HG ARG 18 1HG ARG 18 7.927 3.720 -3.382 121 2HG ARG 18 2HG ARG 18 6.633 4.822 -3.809 122 1HD ARG 18 1HD ARG 18 5.295 2.917 -2.269 123 2HD ARG 18 2HD ARG 18 6.858 2.994 -1.482 124 HE ARG 18 HE ARG 18 5.597 5.601 -2.099 125 1HH1 ARG 18 1HH1 ARG 18 6.217 3.103 0.300 126 2HH1 ARG 18 2HH1 ARG 18 5.880 4.136 1.649 127 1HH2 ARG 18 1HH2 ARG 18 5.153 6.964 -0.320 128 2HH2 ARG 18 2HH2 ARG 18 5.271 6.347 1.294 129 H VAL 19 H VAL 19 5.699 -0.568 -4.850 130 HA VAL 19 HA VAL 19 6.615 -0.993 -7.584 131 HB VAL 19 HB VAL 19 4.943 -2.715 -5.743 132 1HG1 VAL 19 1HG1 VAL 19 5.770 -2.959 -8.567 133 2HG1 VAL 19 2HG1 VAL 19 6.092 -4.398 -7.569 134 3HG1 VAL 19 3HG1 VAL 19 4.440 -3.747 -7.684 135 1HG2 VAL 19 1HG2 VAL 19 7.911 -2.546 -6.239 136 2HG2 VAL 19 2HG2 VAL 19 7.027 -2.658 -4.698 137 3HG2 VAL 19 3HG2 VAL 19 7.156 -4.084 -5.755 138 H ASP 20 H ASP 20 4.243 0.749 -5.975 139 HA ASP 20 HA ASP 20 2.320 1.593 -6.517 140 1HB ASP 20 1HB ASP 20 3.346 2.586 -8.425 141 2HB ASP 20 2HB ASP 20 3.500 1.052 -9.256 142 H CYS 21 H CYS 21 0.626 0.253 -5.804 143 HA CYS 21 HA CYS 21 0.187 -2.291 -6.988 144 1HB CYS 21 1HB CYS 21 -0.371 -1.193 -4.561 145 2HB CYS 21 2HB CYS 21 -1.947 -1.109 -5.323 146 H GLY 22 H GLY 22 -0.820 1.029 -7.535 147 1HA GLY 22 1HA GLY 22 -2.154 0.393 -9.946 148 2HA GLY 22 2HA GLY 22 -2.092 1.951 -9.147 149 H TYR 23 H TYR 23 -3.774 2.608 -7.718 150 HA TYR 23 HA TYR 23 -6.180 0.961 -7.965 151 1HB TYR 23 1HB TYR 23 -4.640 1.943 -5.536 152 2HB TYR 23 2HB TYR 23 -6.388 1.999 -5.425 153 HD1 TYR 23 HD1 TYR 23 -7.629 -0.256 -6.095 154 HD2 TYR 23 HD2 TYR 23 -3.534 0.001 -4.882 155 HE1 TYR 23 HE1 TYR 23 -7.659 -2.714 -5.446 156 HE2 TYR 23 HE2 TYR 23 -3.579 -2.457 -4.236 157 HH TYR 23 HH TYR 23 -5.530 -4.084 -3.482 158 HA PRO 24 HA PRO 24 -7.955 4.829 -8.760 159 1HB PRO 24 1HB PRO 24 -10.604 4.248 -8.417 160 2HB PRO 24 2HB PRO 24 -9.721 3.864 -9.881 161 1HG PRO 24 1HG PRO 24 -10.597 2.052 -7.716 162 2HG PRO 24 2HG PRO 24 -10.106 1.653 -9.350 163 1HD PRO 24 1HD PRO 24 -8.548 1.331 -6.963 164 2HD PRO 24 2HD PRO 24 -8.017 1.042 -8.608 165 H HIS 25 H HIS 25 -10.131 3.629 -6.267 166 HA HIS 25 HA HIS 25 -9.777 6.162 -4.924 167 1HB HIS 25 1HB HIS 25 -11.712 5.588 -3.669 168 2HB HIS 25 2HB HIS 25 -12.029 5.178 -5.343 169 HD1 HIS 25 HD1 HIS 25 -13.719 3.828 -3.202 170 HD2 HIS 25 HD2 HIS 25 -10.122 2.212 -4.633 171 HE1 HIS 25 HE1 HIS 25 -13.820 1.324 -2.723 172 HE2 HIS 25 HE2 HIS 25 -11.607 0.377 -3.674 173 H VAL 26 H VAL 26 -7.569 5.919 -4.210 174 HA VAL 26 HA VAL 26 -7.086 3.733 -2.349 175 HB VAL 26 HB VAL 26 -4.760 4.602 -2.414 176 1HG1 VAL 26 1HG1 VAL 26 -6.058 3.927 -5.075 177 2HG1 VAL 26 2HG1 VAL 26 -4.306 3.895 -4.763 178 3HG1 VAL 26 3HG1 VAL 26 -5.386 2.786 -3.885 179 1HG2 VAL 26 1HG2 VAL 26 -5.599 6.976 -3.066 180 2HG2 VAL 26 2HG2 VAL 26 -4.075 6.376 -3.764 181 3HG2 VAL 26 3HG2 VAL 26 -5.568 6.351 -4.733 182 H THR 27 H THR 27 -6.791 4.010 -0.140 183 HA THR 27 HA THR 27 -6.637 6.683 0.942 184 HB THR 27 HB THR 27 -8.764 6.707 1.987 185 HG1 THR 27 HG1 THR 27 -8.400 3.859 1.539 186 1HG2 THR 27 1HG2 THR 27 -9.228 5.035 -0.539 187 2HG2 THR 27 2HG2 THR 27 -10.486 5.927 0.350 188 3HG2 THR 27 3HG2 THR 27 -9.183 6.813 -0.477 189 HA PRO 28 HA PRO 28 -4.685 4.635 4.174 190 1HB PRO 28 1HB PRO 28 -5.483 5.910 6.456 191 2HB PRO 28 2HB PRO 28 -4.288 6.570 5.357 192 1HG PRO 28 1HG PRO 28 -7.110 7.371 5.727 193 2HG PRO 28 2HG PRO 28 -5.806 8.264 4.970 194 1HD PRO 28 1HD PRO 28 -7.930 6.870 3.639 195 2HD PRO 28 2HD PRO 28 -6.563 7.664 2.883 196 H LYS 29 H LYS 29 -6.975 3.264 3.248 197 HA LYS 29 HA LYS 29 -7.154 1.345 5.242 198 1HB LYS 29 1HB LYS 29 -8.512 3.365 6.232 199 2HB LYS 29 2HB LYS 29 -9.762 2.832 5.127 200 1HG LYS 29 1HG LYS 29 -8.550 0.575 6.585 201 2HG LYS 29 2HG LYS 29 -9.228 1.768 7.675 202 1HD LYS 29 1HD LYS 29 -11.074 1.365 5.472 203 2HD LYS 29 2HD LYS 29 -10.628 -0.200 6.124 204 1HE LYS 29 1HE LYS 29 -12.174 0.184 7.751 205 2HE LYS 29 2HE LYS 29 -11.026 1.317 8.436 206 1HZ LYS 29 1HZ LYS 29 -12.027 2.996 6.925 207 2HZ LYS 29 2HZ LYS 29 -13.206 1.922 6.571 208 3HZ LYS 29 3HZ LYS 29 -13.024 2.460 8.103 209 H GLU 30 H GLU 30 -9.146 3.025 2.715 210 HA GLU 30 HA GLU 30 -10.259 0.663 1.765 211 1HB GLU 30 1HB GLU 30 -11.188 2.937 1.352 212 2HB GLU 30 2HB GLU 30 -9.819 3.317 0.326 213 1HG GLU 30 1HG GLU 30 -10.745 2.244 -1.451 214 2HG GLU 30 2HG GLU 30 -11.023 0.790 -0.513 215 H CYS 31 H CYS 31 -7.215 2.387 1.061 216 HA CYS 31 HA CYS 31 -6.662 0.839 -1.266 217 1HB CYS 31 1HB CYS 31 -5.648 2.889 -1.381 218 2HB CYS 31 2HB CYS 31 -5.246 2.925 0.325 219 H ASN 32 H ASN 32 -6.096 0.690 2.247 220 HA ASN 32 HA ASN 32 -4.216 -1.461 1.913 221 1HB ASN 32 1HB ASN 32 -5.390 -0.517 4.561 222 2HB ASN 32 2HB ASN 32 -3.825 -1.252 4.279 223 2HD2 ASN 32 2HD2 ASN 32 -5.788 1.624 3.845 224 1HD2 ASN 32 1HD2 ASN 32 -4.502 2.767 3.644 225 H ASN 33 H ASN 33 -7.511 -1.134 1.699 226 HA ASN 33 HA ASN 33 -8.095 -3.502 3.270 227 1HB ASN 33 1HB ASN 33 -9.610 -1.578 3.617 228 2HB ASN 33 2HB ASN 33 -9.902 -1.446 1.894 229 2HD2 ASN 33 2HD2 ASN 33 -12.131 -1.633 2.378 230 1HD2 ASN 33 1HD2 ASN 33 -12.876 -3.172 2.655 231 H ARG 34 H ARG 34 -8.230 -2.032 -0.024 232 HA ARG 34 HA ARG 34 -9.591 -4.030 -1.299 233 1HB ARG 34 1HB ARG 34 -8.524 -1.648 -2.064 234 2HB ARG 34 2HB ARG 34 -7.307 -2.705 -2.751 235 1HG ARG 34 1HG ARG 34 -10.308 -2.969 -3.262 236 2HG ARG 34 2HG ARG 34 -9.186 -2.174 -4.348 237 1HD ARG 34 1HD ARG 34 -7.857 -4.492 -4.174 238 2HD ARG 34 2HD ARG 34 -9.421 -5.117 -3.689 239 HE ARG 34 HE ARG 34 -9.695 -3.475 -6.051 240 1HH1 ARG 34 1HH1 ARG 34 -8.592 -6.643 -4.991 241 2HH1 ARG 34 2HH1 ARG 34 -8.879 -7.398 -6.523 242 1HH2 ARG 34 1HH2 ARG 34 -10.075 -4.469 -8.073 243 2HH2 ARG 34 2HH2 ARG 34 -9.729 -6.153 -8.288 244 H GLY 35 H GLY 35 -6.254 -3.867 -0.132 245 1HA GLY 35 1HA GLY 35 -5.693 -6.473 -1.419 246 2HA GLY 35 2HA GLY 35 -5.294 -6.111 0.248 247 H CYS 36 H CYS 36 -3.830 -4.132 0.625 248 HA CYS 36 HA CYS 36 -1.449 -4.474 -0.627 249 1HB CYS 36 1HB CYS 36 -3.160 -3.175 -2.423 250 2HB CYS 36 2HB CYS 36 -2.138 -1.904 -1.781 251 H CYS 37 H CYS 37 -0.616 -1.621 -0.662 252 HA CYS 37 HA CYS 37 -1.207 -0.940 2.126 253 1HB CYS 37 1HB CYS 37 1.407 -1.147 0.699 254 2HB CYS 37 2HB CYS 37 1.216 0.121 1.893 255 H PHE 38 H PHE 38 -1.177 1.413 2.564 256 HA PHE 38 HA PHE 38 -1.573 2.966 0.102 257 1HB PHE 38 1HB PHE 38 -3.651 2.621 1.424 258 2HB PHE 38 2HB PHE 38 -2.825 3.048 2.909 259 HD1 PHE 38 HD1 PHE 38 -4.134 4.391 -0.268 260 HD2 PHE 38 HD2 PHE 38 -2.575 5.323 3.567 261 HE1 PHE 38 HE1 PHE 38 -4.844 6.781 -0.560 262 HE2 PHE 38 HE2 PHE 38 -3.285 7.713 3.275 263 HZ PHE 38 HZ PHE 38 -4.411 8.413 1.215 264 H ASP 39 H ASP 39 -1.393 5.476 0.692 265 HA ASP 39 HA ASP 39 0.217 6.259 2.771 266 1HB ASP 39 1HB ASP 39 2.021 4.966 1.729 267 2HB ASP 39 2HB ASP 39 1.701 5.690 0.166 268 H SER 40 H SER 40 0.334 8.587 2.732 269 HA SER 40 HA SER 40 -0.458 9.813 0.215 270 1HB SER 40 1HB SER 40 -1.986 11.327 1.390 271 2HB SER 40 2HB SER 40 -2.448 9.665 1.697 272 HG SER 40 HG SER 40 -0.836 10.091 3.678 273 H ARG 41 H ARG 41 2.081 9.389 2.010 274 HA ARG 41 HA ARG 41 2.752 11.793 3.148 275 1HB ARG 41 1HB ARG 41 3.939 9.350 2.993 276 2HB ARG 41 2HB ARG 41 4.910 10.183 1.795 277 1HG ARG 41 1HG ARG 41 5.056 12.074 3.683 278 2HG ARG 41 2HG ARG 41 4.653 10.746 4.754 279 1HD ARG 41 1HD ARG 41 6.639 9.549 4.241 280 2HD ARG 41 2HD ARG 41 6.872 10.386 2.719 281 HE ARG 41 HE ARG 41 7.957 12.127 3.857 282 1HH1 ARG 41 1HH1 ARG 41 6.216 10.127 6.170 283 2HH1 ARG 41 2HH1 ARG 41 6.903 10.906 7.556 284 1HH2 ARG 41 1HH2 ARG 41 8.865 13.156 5.685 285 2HH2 ARG 41 2HH2 ARG 41 8.420 12.641 7.278 286 H ILE 42 H ILE 42 3.374 10.492 -0.182 287 HA ILE 42 HA ILE 42 3.571 13.232 -1.128 288 HB ILE 42 HB ILE 42 5.597 12.063 -2.536 289 1HG1 ILE 42 1HG1 ILE 42 7.137 11.086 -0.857 290 2HG1 ILE 42 2HG1 ILE 42 5.851 11.117 0.334 291 1HG2 ILE 42 1HG2 ILE 42 5.492 14.349 -1.610 292 2HG2 ILE 42 2HG2 ILE 42 5.878 13.697 0.000 293 3HG2 ILE 42 3HG2 ILE 42 7.062 13.560 -1.322 294 1HD1 ILE 42 1HD1 ILE 42 5.052 9.841 -2.220 295 2HD1 ILE 42 2HD1 ILE 42 6.374 9.003 -1.373 296 3HD1 ILE 42 3HD1 ILE 42 4.822 9.279 -0.547 297 HA PRO 43 HA PRO 43 1.183 11.355 -4.214 298 1HB PRO 43 1HB PRO 43 0.969 13.468 -5.934 299 2HB PRO 43 2HB PRO 43 -0.047 13.278 -4.519 300 1HG PRO 43 1HG PRO 43 2.228 15.119 -4.933 301 2HG PRO 43 2HG PRO 43 0.957 15.199 -3.729 302 1HD PRO 43 1HD PRO 43 3.660 14.333 -3.315 303 2HD PRO 43 2HD PRO 43 2.359 14.304 -2.142 304 H GLY 44 H GLY 44 4.109 13.045 -5.113 305 1HA GLY 44 1HA GLY 44 5.794 12.289 -6.435 306 2HA GLY 44 2HA GLY 44 4.538 12.344 -7.656 307 H VAL 45 H VAL 45 4.900 10.130 -4.806 308 HA VAL 45 HA VAL 45 5.496 7.940 -6.617 309 HB VAL 45 HB VAL 45 6.334 6.847 -4.804 310 1HG1 VAL 45 1HG1 VAL 45 7.105 9.447 -5.047 311 2HG1 VAL 45 2HG1 VAL 45 6.633 9.398 -3.331 312 3HG1 VAL 45 3HG1 VAL 45 7.866 8.272 -3.947 313 1HG2 VAL 45 1HG2 VAL 45 4.211 8.267 -3.205 314 2HG2 VAL 45 2HG2 VAL 45 4.498 6.522 -3.404 315 3HG2 VAL 45 3HG2 VAL 45 5.596 7.496 -2.396 316 HA PRO 46 HA PRO 46 1.553 6.175 -6.400 317 1HB PRO 46 1HB PRO 46 1.972 3.498 -6.046 318 2HB PRO 46 2HB PRO 46 2.170 4.303 -7.590 319 1HG PRO 46 1HG PRO 46 4.248 3.337 -5.723 320 2HG PRO 46 2HG PRO 46 4.401 3.745 -7.420 321 1HD PRO 46 1HD PRO 46 5.247 5.338 -5.190 322 2HD PRO 46 2HD PRO 46 5.294 5.794 -6.881 323 H TRP 47 H TRP 47 0.602 7.254 -4.676 324 HA TRP 47 HA TRP 47 0.940 6.954 -2.089 325 1HB TRP 47 1HB TRP 47 -1.521 7.233 -3.739 326 2HB TRP 47 2HB TRP 47 -1.730 6.882 -2.034 327 HD1 TRP 47 HD1 TRP 47 1.184 9.151 -3.122 328 HE1 TRP 47 HE1 TRP 47 0.836 11.629 -2.283 329 HE3 TRP 47 HE3 TRP 47 -3.564 8.469 -1.436 330 HZ2 TRP 47 HZ2 TRP 47 -1.338 12.995 -1.037 331 HZ3 TRP 47 HZ3 TRP 47 -4.728 10.426 -0.421 332 HH2 TRP 47 HH2 TRP 47 -3.692 12.629 -0.208 333 H CYS 48 H CYS 48 -1.018 4.639 -4.101 334 HA CYS 48 HA CYS 48 -0.941 2.765 -1.887 335 1HB CYS 48 1HB CYS 48 -3.015 3.365 -3.345 336 2HB CYS 48 2HB CYS 48 -2.307 2.271 -4.517 337 H PHE 49 H PHE 49 0.884 1.495 -1.795 338 HA PHE 49 HA PHE 49 1.867 0.438 -4.346 339 1HB PHE 49 1HB PHE 49 4.171 0.627 -3.117 340 2HB PHE 49 2HB PHE 49 3.467 2.132 -3.674 341 HD1 PHE 49 HD1 PHE 49 3.614 -0.044 -0.651 342 HD2 PHE 49 HD2 PHE 49 3.227 3.894 -2.184 343 HE1 PHE 49 HE1 PHE 49 3.737 0.876 1.681 344 HE2 PHE 49 HE2 PHE 49 3.349 4.814 0.148 345 HZ PHE 49 HZ PHE 49 3.603 3.294 2.053 346 H LYS 50 H LYS 50 3.233 -1.581 -4.033 347 HA LYS 50 HA LYS 50 1.809 -3.389 -2.406 348 1HB LYS 50 1HB LYS 50 4.479 -3.821 -3.771 349 2HB LYS 50 2HB LYS 50 3.330 -5.046 -3.274 350 1HG LYS 50 1HG LYS 50 1.623 -3.869 -4.833 351 2HG LYS 50 2HG LYS 50 2.981 -2.963 -5.470 352 1HD LYS 50 1HD LYS 50 2.896 -4.788 -6.947 353 2HD LYS 50 2HD LYS 50 4.110 -5.319 -5.801 354 1HE LYS 50 1HE LYS 50 2.630 -6.829 -4.723 355 2HE LYS 50 2HE LYS 50 1.199 -5.991 -5.290 356 1HZ LYS 50 1HZ LYS 50 3.057 -7.400 -7.076 357 2HZ LYS 50 2HZ LYS 50 1.696 -8.070 -6.470 358 3HZ LYS 50 3HZ LYS 50 1.597 -6.782 -7.469 359 HA PRO 51 HA PRO 51 4.104 -3.332 1.249 360 1HB PRO 51 1HB PRO 51 4.201 -5.949 2.029 361 2HB PRO 51 2HB PRO 51 2.786 -4.938 2.242 362 1HG PRO 51 1HG PRO 51 3.250 -7.083 0.262 363 2HG PRO 51 2HG PRO 51 1.733 -6.366 0.768 364 1HD PRO 51 1HD PRO 51 3.144 -5.850 -1.675 365 2HD PRO 51 2HD PRO 51 1.690 -5.049 -1.116 366 H LEU 52 H LEU 52 6.136 -2.700 1.547 367 HA LEU 52 HA LEU 52 8.192 -3.213 -0.017 368 1HB LEU 52 1HB LEU 52 8.362 -1.709 1.814 369 2HB LEU 52 2HB LEU 52 8.156 -2.994 2.988 370 HG LEU 52 HG LEU 52 10.541 -2.749 1.134 371 1HD1 LEU 52 1HD1 LEU 52 10.126 -0.905 2.940 372 2HD1 LEU 52 2HD1 LEU 52 10.665 -2.167 4.074 373 3HD1 LEU 52 3HD1 LEU 52 11.739 -1.636 2.758 374 1HD2 LEU 52 1HD2 LEU 52 9.622 -4.815 2.981 375 2HD2 LEU 52 2HD2 LEU 52 10.879 -4.872 1.722 376 3HD2 LEU 52 3HD2 LEU 52 11.270 -4.249 3.343 377 H GLN 53 H GLN 53 9.726 -4.799 -0.467 378 HA GLN 53 HA GLN 53 8.884 -7.418 -0.062 379 1HB GLN 53 1HB GLN 53 11.209 -6.037 -1.309 380 2HB GLN 53 2HB GLN 53 11.526 -7.680 -0.788 381 1HG GLN 53 1HG GLN 53 10.554 -8.359 -2.727 382 2HG GLN 53 2HG GLN 53 9.020 -7.900 -2.014 383 2HE2 GLN 53 2HE2 GLN 53 8.785 -5.345 -2.009 384 1HE2 GLN 53 1HE2 GLN 53 8.984 -4.600 -3.560 385 H GLU 54 H GLU 54 8.599 -7.390 2.339 386 HA GLU 54 HA GLU 54 10.461 -6.900 4.180 387 1HB GLU 54 1HB GLU 54 9.190 -8.219 5.655 388 2HB GLU 54 2HB GLU 54 8.033 -7.828 4.398 389 1HG GLU 54 1HG GLU 54 7.723 -10.145 4.619 390 2HG GLU 54 2HG GLU 54 8.840 -10.068 3.272 391 H ALA 55 H ALA 55 12.504 -7.603 4.638 392 HA ALA 55 HA ALA 55 13.180 -10.367 4.092 393 1HB ALA 55 1HB ALA 55 14.571 -10.002 2.348 394 2HB ALA 55 2HB ALA 55 15.242 -8.526 3.083 395 3HB ALA 55 3HB ALA 55 13.722 -8.449 2.160 396 H GLU 56 H GLU 56 14.883 -7.224 4.770 397 HA GLU 56 HA GLU 56 16.147 -8.552 7.001 398 1HB GLU 56 1HB GLU 56 16.648 -5.880 5.629 399 2HB GLU 56 2HB GLU 56 17.513 -6.386 7.066 400 1HG GLU 56 1HG GLU 56 17.403 -8.326 4.764 401 2HG GLU 56 2HG GLU 56 18.424 -6.914 4.577 402 H CYS 57 H CYS 57 16.399 -7.223 9.098 403 HA CYS 57 HA CYS 57 13.899 -6.714 10.139 404 1HB CYS 57 1HB CYS 57 16.515 -6.890 11.094 405 2HB CYS 57 2HB CYS 57 16.008 -5.269 11.526 406 H THR 58 H THR 58 16.557 -4.383 9.245 407 HA THR 58 HA THR 58 14.633 -2.200 9.328 408 HB THR 58 HB THR 58 16.738 -0.842 9.036 409 HG1 THR 58 HG1 THR 58 18.307 -2.067 8.064 410 1HG2 THR 58 1HG2 THR 58 16.118 -1.641 11.367 411 2HG2 THR 58 2HG2 THR 58 17.116 -3.088 11.085 412 3HG2 THR 58 3HG2 THR 58 17.874 -1.478 11.128 413 H PHE 59 H PHE 59 17.009 -3.593 6.964 414 HA PHE 59 HA PHE 59 15.712 -2.128 4.853 415 1HB PHE 59 1HB PHE 59 18.251 -3.278 5.445 416 2HB PHE 59 2HB PHE 59 17.617 -4.309 4.178 417 HD1 PHE 59 HD1 PHE 59 16.716 -3.087 2.055 418 HD2 PHE 59 HD2 PHE 59 19.337 -1.306 4.878 419 HE1 PHE 59 HE1 PHE 59 17.432 -1.409 0.331 420 HE2 PHE 59 HE2 PHE 59 20.052 0.373 3.154 421 HZ PHE 59 HZ PHE 59 19.091 0.301 0.901 No H/Q in entry = 421 Start of MODEL 48 1 H GLU 1 H GLU 1 -0.051 -1.594 22.750 2 HA GLU 1 HA GLU 1 1.454 -3.194 22.552 3 1HB GLU 1 1HB GLU 1 -1.035 -3.975 21.163 4 2HB GLU 1 2HB GLU 1 0.340 -4.960 20.702 5 1HG GLU 1 1HG GLU 1 -0.067 -6.144 22.605 6 2HG GLU 1 2HG GLU 1 0.667 -4.800 23.456 7 H GLU 2 H GLU 2 3.038 -4.444 21.182 8 HA GLU 2 HA GLU 2 3.873 -2.740 19.030 9 1HB GLU 2 1HB GLU 2 5.926 -4.209 19.063 10 2HB GLU 2 2HB GLU 2 5.586 -3.425 20.593 11 1HG GLU 2 1HG GLU 2 5.347 -5.421 21.651 12 2HG GLU 2 2HG GLU 2 4.177 -5.975 20.469 13 H TYR 3 H TYR 3 3.154 -3.082 16.977 14 HA TYR 3 HA TYR 3 2.418 -5.833 16.259 15 1HB TYR 3 1HB TYR 3 1.080 -3.367 16.146 16 2HB TYR 3 2HB TYR 3 1.773 -3.447 14.539 17 HD1 TYR 3 HD1 TYR 3 -0.349 -5.381 16.931 18 HD2 TYR 3 HD2 TYR 3 0.721 -4.697 12.845 19 HE1 TYR 3 HE1 TYR 3 -2.262 -6.874 16.172 20 HE2 TYR 3 HE2 TYR 3 -1.195 -6.193 12.101 21 HH TYR 3 HH TYR 3 -3.001 -8.086 14.399 22 H VAL 4 H VAL 4 2.683 -6.252 13.782 23 HA VAL 4 HA VAL 4 4.645 -4.850 12.363 24 HB VAL 4 HB VAL 4 6.031 -5.830 14.224 25 1HG1 VAL 4 1HG1 VAL 4 4.692 -8.046 14.136 26 2HG1 VAL 4 2HG1 VAL 4 5.771 -8.470 12.786 27 3HG1 VAL 4 3HG1 VAL 4 6.451 -8.126 14.394 28 1HG2 VAL 4 1HG2 VAL 4 6.609 -6.512 11.329 29 2HG2 VAL 4 2HG2 VAL 4 7.152 -5.094 12.259 30 3HG2 VAL 4 3HG2 VAL 4 7.805 -6.707 12.633 31 H GLY 5 H GLY 5 1.977 -5.960 12.051 32 1HA GLY 5 1HA GLY 5 1.132 -8.040 11.011 33 2HA GLY 5 2HA GLY 5 2.539 -7.986 9.967 34 H LEU 6 H LEU 6 2.240 -7.094 7.975 35 HA LEU 6 HA LEU 6 1.605 -5.548 6.473 36 1HB LEU 6 1HB LEU 6 -0.671 -5.863 5.786 37 2HB LEU 6 2HB LEU 6 0.036 -7.394 6.262 38 HG LEU 6 HG LEU 6 -1.390 -6.072 8.458 39 1HD1 LEU 6 1HD1 LEU 6 -2.637 -5.496 6.187 40 2HD1 LEU 6 2HD1 LEU 6 -3.245 -7.157 6.387 41 3HD1 LEU 6 3HD1 LEU 6 -3.523 -5.948 7.663 42 1HD2 LEU 6 1HD2 LEU 6 -1.474 -8.815 7.182 43 2HD2 LEU 6 2HD2 LEU 6 -0.665 -8.333 8.693 44 3HD2 LEU 6 3HD2 LEU 6 -2.442 -8.343 8.599 45 H SER 7 H SER 7 2.487 -3.897 8.192 46 HA SER 7 HA SER 7 0.766 -1.725 8.087 47 1HB SER 7 1HB SER 7 0.616 -1.419 10.667 48 2HB SER 7 2HB SER 7 -0.521 -2.509 9.898 49 HG SER 7 HG SER 7 1.975 -3.368 11.092 50 H ALA 8 H ALA 8 2.182 -0.030 7.868 51 HA ALA 8 HA ALA 8 3.998 1.221 8.049 52 1HB ALA 8 1HB ALA 8 4.319 -0.291 10.672 53 2HB ALA 8 2HB ALA 8 5.282 1.131 10.204 54 3HB ALA 8 3HB ALA 8 3.523 1.283 10.432 55 H ASN 9 H ASN 9 5.471 -1.578 9.770 56 HA ASN 9 HA ASN 9 7.765 -1.615 8.419 57 1HB ASN 9 1HB ASN 9 6.276 -4.172 9.202 58 2HB ASN 9 2HB ASN 9 8.014 -3.956 9.126 59 2HD2 ASN 9 2HD2 ASN 9 9.069 -3.376 10.879 60 1HD2 ASN 9 1HD2 ASN 9 8.384 -2.769 12.349 61 H GLN 10 H GLN 10 4.563 -2.701 7.349 62 HA GLN 10 HA GLN 10 5.661 -4.138 5.114 63 1HB GLN 10 1HB GLN 10 3.431 -4.566 6.592 64 2HB GLN 10 2HB GLN 10 2.721 -3.576 5.332 65 1HG GLN 10 1HG GLN 10 2.596 -5.472 4.084 66 2HG GLN 10 2HG GLN 10 4.331 -5.336 3.877 67 2HE2 GLN 10 2HE2 GLN 10 1.902 -7.332 4.782 68 1HE2 GLN 10 1HE2 GLN 10 2.741 -8.460 5.794 69 H CYS 11 H CYS 11 4.105 -1.026 5.902 70 HA CYS 11 HA CYS 11 4.337 -0.309 3.070 71 1HB CYS 11 1HB CYS 11 2.638 1.274 4.945 72 2HB CYS 11 2HB CYS 11 2.491 1.050 3.213 73 H ALA 12 H ALA 12 6.666 -0.330 4.589 74 HA ALA 12 HA ALA 12 7.018 2.504 5.295 75 1HB ALA 12 1HB ALA 12 9.080 1.380 6.543 76 2HB ALA 12 2HB ALA 12 7.462 1.406 7.285 77 3HB ALA 12 3HB ALA 12 8.044 -0.065 6.470 78 H VAL 13 H VAL 13 7.063 2.174 2.658 79 HA VAL 13 HA VAL 13 9.776 1.474 1.865 80 HB VAL 13 HB VAL 13 7.850 2.461 -0.134 81 1HG1 VAL 13 1HG1 VAL 13 10.056 0.550 0.108 82 2HG1 VAL 13 2HG1 VAL 13 8.680 -0.094 -0.819 83 3HG1 VAL 13 3HG1 VAL 13 9.452 1.431 -1.316 84 1HG2 VAL 13 1HG2 VAL 13 7.224 0.099 1.633 85 2HG2 VAL 13 2HG2 VAL 13 6.150 1.399 1.062 86 3HG2 VAL 13 3HG2 VAL 13 6.695 0.135 -0.067 87 HA PRO 14 HA PRO 14 10.993 5.613 1.622 88 1HB PRO 14 1HB PRO 14 13.006 5.483 -0.222 89 2HB PRO 14 2HB PRO 14 13.214 5.029 1.457 90 1HG PRO 14 1HG PRO 14 12.971 3.285 -0.918 91 2HG PRO 14 2HG PRO 14 13.593 2.893 0.673 92 1HD PRO 14 1HD PRO 14 11.025 2.182 -0.389 93 2HD PRO 14 2HD PRO 14 11.602 1.891 1.240 94 H ALA 15 H ALA 15 9.172 4.217 -0.642 95 HA ALA 15 HA ALA 15 7.742 5.237 -2.047 96 1HB ALA 15 1HB ALA 15 8.745 7.440 -0.742 97 2HB ALA 15 2HB ALA 15 7.522 7.497 -2.034 98 3HB ALA 15 3HB ALA 15 9.238 7.764 -2.422 99 H LYS 16 H LYS 16 11.262 5.303 -2.361 100 HA LYS 16 HA LYS 16 11.098 5.411 -5.251 101 1HB LYS 16 1HB LYS 16 13.526 5.463 -5.171 102 2HB LYS 16 2HB LYS 16 12.853 6.667 -4.090 103 1HG LYS 16 1HG LYS 16 14.367 5.737 -2.617 104 2HG LYS 16 2HG LYS 16 13.037 4.636 -2.315 105 1HD LYS 16 1HD LYS 16 14.495 2.972 -2.857 106 2HD LYS 16 2HD LYS 16 14.246 3.458 -4.522 107 1HE LYS 16 1HE LYS 16 16.203 4.915 -4.475 108 2HE LYS 16 2HE LYS 16 16.373 4.730 -2.741 109 1HZ LYS 16 1HZ LYS 16 16.628 2.543 -4.687 110 2HZ LYS 16 2HZ LYS 16 17.876 3.311 -3.968 111 3HZ LYS 16 3HZ LYS 16 16.846 2.413 -3.074 112 H ASP 17 H ASP 17 10.271 3.130 -3.091 113 HA ASP 17 HA ASP 17 11.359 1.031 -4.794 114 1HB ASP 17 1HB ASP 17 11.771 1.406 -1.992 115 2HB ASP 17 2HB ASP 17 10.643 0.072 -2.133 116 H ARG 18 H ARG 18 8.753 2.711 -4.604 117 HA ARG 18 HA ARG 18 6.815 0.917 -3.609 118 1HB ARG 18 1HB ARG 18 6.302 3.228 -5.533 119 2HB ARG 18 2HB ARG 18 5.199 2.567 -4.342 120 1HG ARG 18 1HG ARG 18 7.845 3.693 -3.401 121 2HG ARG 18 2HG ARG 18 6.567 4.808 -3.847 122 1HD ARG 18 1HD ARG 18 5.229 2.921 -2.257 123 2HD ARG 18 2HD ARG 18 6.787 3.065 -1.468 124 HE ARG 18 HE ARG 18 5.446 5.608 -2.194 125 1HH1 ARG 18 1HH1 ARG 18 6.204 3.251 0.307 126 2HH1 ARG 18 2HH1 ARG 18 5.860 4.336 1.612 127 1HH2 ARG 18 1HH2 ARG 18 4.992 7.040 -0.472 128 2HH2 ARG 18 2HH2 ARG 18 5.166 6.506 1.166 129 H VAL 19 H VAL 19 5.510 -0.562 -4.760 130 HA VAL 19 HA VAL 19 6.414 -1.116 -7.471 131 HB VAL 19 HB VAL 19 4.484 -2.748 -5.842 132 1HG1 VAL 19 1HG1 VAL 19 6.278 -3.188 -8.204 133 2HG1 VAL 19 2HG1 VAL 19 5.927 -4.557 -7.122 134 3HG1 VAL 19 3HG1 VAL 19 4.595 -3.701 -7.936 135 1HG2 VAL 19 1HG2 VAL 19 6.444 -2.229 -4.408 136 2HG2 VAL 19 2HG2 VAL 19 6.333 -3.955 -4.831 137 3HG2 VAL 19 3HG2 VAL 19 7.511 -2.910 -5.660 138 H ASP 20 H ASP 20 4.104 0.784 -5.936 139 HA ASP 20 HA ASP 20 2.228 1.701 -6.527 140 1HB ASP 20 1HB ASP 20 3.332 2.613 -8.431 141 2HB ASP 20 2HB ASP 20 3.435 1.059 -9.233 142 H CYS 21 H CYS 21 0.487 0.424 -5.801 143 HA CYS 21 HA CYS 21 -0.043 -2.126 -6.868 144 1HB CYS 21 1HB CYS 21 -0.775 -0.724 -4.608 145 2HB CYS 21 2HB CYS 21 -2.276 -0.797 -5.509 146 H GLY 22 H GLY 22 -0.518 1.050 -8.038 147 1HA GLY 22 1HA GLY 22 -1.758 0.339 -10.392 148 2HA GLY 22 2HA GLY 22 -1.743 1.947 -9.696 149 H TYR 23 H TYR 23 -3.431 2.453 -7.984 150 HA TYR 23 HA TYR 23 -5.945 1.223 -8.806 151 1HB TYR 23 1HB TYR 23 -4.606 0.424 -6.520 152 2HB TYR 23 2HB TYR 23 -5.430 1.832 -5.880 153 HD1 TYR 23 HD1 TYR 23 -6.596 -0.723 -8.365 154 HD2 TYR 23 HD2 TYR 23 -7.130 1.029 -4.499 155 HE1 TYR 23 HE1 TYR 23 -8.701 -2.106 -8.022 156 HE2 TYR 23 HE2 TYR 23 -9.234 -0.359 -4.169 157 HH TYR 23 HH TYR 23 -10.891 -1.705 -6.518 158 HA PRO 24 HA PRO 24 -7.195 5.362 -8.560 159 1HB PRO 24 1HB PRO 24 -9.909 5.060 -8.667 160 2HB PRO 24 2HB PRO 24 -8.882 5.012 -10.087 161 1HG PRO 24 1HG PRO 24 -10.205 2.774 -8.680 162 2HG PRO 24 2HG PRO 24 -9.545 2.814 -10.302 163 1HD PRO 24 1HD PRO 24 -8.352 1.600 -7.993 164 2HD PRO 24 2HD PRO 24 -7.640 1.742 -9.589 165 H HIS 25 H HIS 25 -9.836 3.849 -6.810 166 HA HIS 25 HA HIS 25 -9.723 5.839 -4.832 167 1HB HIS 25 1HB HIS 25 -11.696 4.992 -4.199 168 2HB HIS 25 2HB HIS 25 -11.586 4.055 -5.676 169 HD1 HIS 25 HD1 HIS 25 -12.146 3.648 -2.146 170 HD2 HIS 25 HD2 HIS 25 -10.232 1.389 -5.117 171 HE1 HIS 25 HE1 HIS 25 -11.979 1.269 -1.239 172 HE2 HIS 25 HE2 HIS 25 -10.844 -0.084 -3.130 173 H VAL 26 H VAL 26 -7.771 6.019 -3.749 174 HA VAL 26 HA VAL 26 -6.998 3.633 -2.222 175 HB VAL 26 HB VAL 26 -4.649 4.472 -2.445 176 1HG1 VAL 26 1HG1 VAL 26 -6.195 3.510 -4.862 177 2HG1 VAL 26 2HG1 VAL 26 -4.422 3.671 -4.865 178 3HG1 VAL 26 3HG1 VAL 26 -5.213 2.562 -3.719 179 1HG2 VAL 26 1HG2 VAL 26 -5.893 6.710 -3.599 180 2HG2 VAL 26 2HG2 VAL 26 -4.147 6.375 -3.500 181 3HG2 VAL 26 3HG2 VAL 26 -5.067 5.887 -4.944 182 H THR 27 H THR 27 -7.072 3.951 -0.058 183 HA THR 27 HA THR 27 -6.599 6.660 0.941 184 HB THR 27 HB THR 27 -8.708 6.844 1.920 185 HG1 THR 27 HG1 THR 27 -9.516 5.028 2.973 186 1HG2 THR 27 1HG2 THR 27 -9.281 4.723 -0.217 187 2HG2 THR 27 2HG2 THR 27 -10.500 5.767 0.553 188 3HG2 THR 27 3HG2 THR 27 -9.253 6.481 -0.497 189 HA PRO 28 HA PRO 28 -4.588 4.671 4.176 190 1HB PRO 28 1HB PRO 28 -5.315 5.998 6.452 191 2HB PRO 28 2HB PRO 28 -4.146 6.627 5.308 192 1HG PRO 28 1HG PRO 28 -6.951 7.457 5.737 193 2HG PRO 28 2HG PRO 28 -5.661 8.324 4.927 194 1HD PRO 28 1HD PRO 28 -7.831 6.920 3.682 195 2HD PRO 28 2HD PRO 28 -6.478 7.688 2.874 196 H LYS 29 H LYS 29 -6.880 3.276 3.337 197 HA LYS 29 HA LYS 29 -7.030 1.412 5.383 198 1HB LYS 29 1HB LYS 29 -8.358 3.453 6.358 199 2HB LYS 29 2HB LYS 29 -9.632 2.916 5.282 200 1HG LYS 29 1HG LYS 29 -8.244 0.924 7.104 201 2HG LYS 29 2HG LYS 29 -9.518 1.949 7.735 202 1HD LYS 29 1HD LYS 29 -10.637 1.015 5.356 203 2HD LYS 29 2HD LYS 29 -9.701 -0.366 5.892 204 1HE LYS 29 1HE LYS 29 -10.800 -0.003 8.223 205 2HE LYS 29 2HE LYS 29 -11.909 1.083 7.410 206 1HZ LYS 29 1HZ LYS 29 -11.575 -1.427 6.090 207 2HZ LYS 29 2HZ LYS 29 -12.225 -1.555 7.583 208 3HZ LYS 29 3HZ LYS 29 -12.945 -0.617 6.456 209 H GLU 30 H GLU 30 -8.893 3.056 2.753 210 HA GLU 30 HA GLU 30 -10.100 0.670 1.912 211 1HB GLU 30 1HB GLU 30 -10.061 3.487 1.128 212 2HB GLU 30 2HB GLU 30 -10.033 2.453 -0.287 213 1HG GLU 30 1HG GLU 30 -12.354 2.776 0.214 214 2HG GLU 30 2HG GLU 30 -11.987 1.149 0.752 215 H CYS 31 H CYS 31 -7.130 2.467 0.968 216 HA CYS 31 HA CYS 31 -6.576 0.877 -1.280 217 1HB CYS 31 1HB CYS 31 -5.464 2.864 -1.371 218 2HB CYS 31 2HB CYS 31 -5.120 2.895 0.347 219 H ASN 32 H ASN 32 -6.117 0.567 2.221 220 HA ASN 32 HA ASN 32 -4.291 -1.633 1.836 221 1HB ASN 32 1HB ASN 32 -3.726 -0.117 3.661 222 2HB ASN 32 2HB ASN 32 -5.356 -0.175 4.302 223 2HD2 ASN 32 2HD2 ASN 32 -5.074 -1.018 6.252 224 1HD2 ASN 32 1HD2 ASN 32 -4.371 -2.560 6.610 225 H ASN 33 H ASN 33 -7.558 -1.169 1.606 226 HA ASN 33 HA ASN 33 -8.332 -3.420 3.230 227 1HB ASN 33 1HB ASN 33 -9.776 -1.374 3.169 228 2HB ASN 33 2HB ASN 33 -9.968 -1.549 1.436 229 2HD2 ASN 33 2HD2 ASN 33 -12.138 -1.431 3.063 230 1HD2 ASN 33 1HD2 ASN 33 -12.960 -2.954 3.129 231 H ARG 34 H ARG 34 -8.050 -2.300 -0.186 232 HA ARG 34 HA ARG 34 -9.322 -4.465 -1.344 233 1HB ARG 34 1HB ARG 34 -8.437 -2.130 -2.312 234 2HB ARG 34 2HB ARG 34 -7.013 -3.067 -2.721 235 1HG ARG 34 1HG ARG 34 -9.866 -3.779 -3.554 236 2HG ARG 34 2HG ARG 34 -8.690 -2.991 -4.587 237 1HD ARG 34 1HD ARG 34 -7.186 -5.122 -3.868 238 2HD ARG 34 2HD ARG 34 -8.763 -5.845 -3.624 239 HE ARG 34 HE ARG 34 -9.073 -4.727 -6.097 240 1HH1 ARG 34 1HH1 ARG 34 -6.511 -6.726 -4.749 241 2HH1 ARG 34 2HH1 ARG 34 -6.088 -7.435 -6.271 242 1HH2 ARG 34 1HH2 ARG 34 -8.516 -5.662 -8.107 243 2HH2 ARG 34 2HH2 ARG 34 -7.236 -6.826 -8.194 244 H GLY 35 H GLY 35 -6.142 -4.061 0.096 245 1HA GLY 35 1HA GLY 35 -5.382 -6.752 -0.872 246 2HA GLY 35 2HA GLY 35 -5.027 -6.119 0.724 247 H CYS 36 H CYS 36 -3.712 -3.970 0.758 248 HA CYS 36 HA CYS 36 -1.316 -4.439 -0.579 249 1HB CYS 36 1HB CYS 36 -3.120 -3.226 -2.284 250 2HB CYS 36 2HB CYS 36 -2.216 -1.866 -1.649 251 H CYS 37 H CYS 37 -0.601 -1.517 -0.671 252 HA CYS 37 HA CYS 37 -0.983 -0.870 2.159 253 1HB CYS 37 1HB CYS 37 1.552 -1.064 0.587 254 2HB CYS 37 2HB CYS 37 1.422 0.181 1.813 255 H PHE 38 H PHE 38 -1.083 1.442 2.592 256 HA PHE 38 HA PHE 38 -1.509 3.018 0.151 257 1HB PHE 38 1HB PHE 38 -3.568 2.635 1.481 258 2HB PHE 38 2HB PHE 38 -2.734 3.034 2.969 259 HD1 PHE 38 HD1 PHE 38 -4.072 4.445 -0.167 260 HD2 PHE 38 HD2 PHE 38 -2.514 5.290 3.688 261 HE1 PHE 38 HE1 PHE 38 -4.810 6.833 -0.393 262 HE2 PHE 38 HE2 PHE 38 -3.252 7.679 3.462 263 HZ PHE 38 HZ PHE 38 -4.390 8.422 1.424 264 H ASP 39 H ASP 39 -1.365 5.524 0.759 265 HA ASP 39 HA ASP 39 0.286 6.289 2.828 266 1HB ASP 39 1HB ASP 39 2.125 5.151 1.755 267 2HB ASP 39 2HB ASP 39 1.664 5.742 0.171 268 H SER 40 H SER 40 0.482 8.644 2.803 269 HA SER 40 HA SER 40 -0.535 9.910 0.393 270 1HB SER 40 1HB SER 40 -1.990 11.378 1.704 271 2HB SER 40 2HB SER 40 -2.405 9.706 2.026 272 HG SER 40 HG SER 40 -2.302 10.666 4.039 273 H ARG 41 H ARG 41 2.114 9.472 2.072 274 HA ARG 41 HA ARG 41 2.839 11.878 3.161 275 1HB ARG 41 1HB ARG 41 4.024 9.445 2.958 276 2HB ARG 41 2HB ARG 41 4.918 10.260 1.691 277 1HG ARG 41 1HG ARG 41 5.354 12.149 3.414 278 2HG ARG 41 2HG ARG 41 4.738 11.047 4.630 279 1HD ARG 41 1HD ARG 41 6.479 9.333 3.674 280 2HD ARG 41 2HD ARG 41 7.210 10.717 2.887 281 HE ARG 41 HE ARG 41 8.046 11.407 4.956 282 1HH1 ARG 41 1HH1 ARG 41 5.371 9.186 5.497 283 2HH1 ARG 41 2HH1 ARG 41 5.598 9.130 7.214 284 1HH2 ARG 41 1HH2 ARG 41 8.347 11.333 7.220 285 2HH2 ARG 41 2HH2 ARG 41 7.302 10.359 8.200 286 H ILE 42 H ILE 42 3.471 10.552 -0.171 287 HA ILE 42 HA ILE 42 3.553 13.304 -1.137 288 HB ILE 42 HB ILE 42 5.506 12.114 -2.637 289 1HG1 ILE 42 1HG1 ILE 42 7.121 11.160 -1.008 290 2HG1 ILE 42 2HG1 ILE 42 5.879 11.190 0.227 291 1HG2 ILE 42 1HG2 ILE 42 5.260 14.411 -1.401 292 2HG2 ILE 42 2HG2 ILE 42 6.257 13.620 -0.157 293 3HG2 ILE 42 3HG2 ILE 42 6.870 13.776 -1.820 294 1HD1 ILE 42 1HD1 ILE 42 4.930 9.911 -2.251 295 2HD1 ILE 42 2HD1 ILE 42 6.356 9.097 -1.562 296 3HD1 ILE 42 3HD1 ILE 42 4.889 9.308 -0.577 297 HA PRO 43 HA PRO 43 1.014 11.438 -4.108 298 1HB PRO 43 1HB PRO 43 0.729 13.553 -5.816 299 2HB PRO 43 2HB PRO 43 -0.220 13.366 -4.355 300 1HG PRO 43 1HG PRO 43 2.041 15.198 -4.875 301 2HG PRO 43 2HG PRO 43 0.828 15.282 -3.613 302 1HD PRO 43 1HD PRO 43 3.544 14.405 -3.326 303 2HD PRO 43 2HD PRO 43 2.299 14.381 -2.093 304 H GLY 44 H GLY 44 3.907 13.110 -5.138 305 1HA GLY 44 1HA GLY 44 5.520 12.361 -6.546 306 2HA GLY 44 2HA GLY 44 4.203 12.397 -7.703 307 H VAL 45 H VAL 45 4.850 10.220 -4.865 308 HA VAL 45 HA VAL 45 5.363 8.019 -6.661 309 HB VAL 45 HB VAL 45 6.248 6.961 -4.856 310 1HG1 VAL 45 1HG1 VAL 45 7.133 9.409 -5.148 311 2HG1 VAL 45 2HG1 VAL 45 6.377 9.672 -3.558 312 3HG1 VAL 45 3HG1 VAL 45 7.648 8.440 -3.746 313 1HG2 VAL 45 1HG2 VAL 45 4.123 8.341 -3.211 314 2HG2 VAL 45 2HG2 VAL 45 4.381 6.600 -3.479 315 3HG2 VAL 45 3HG2 VAL 45 5.506 7.519 -2.450 316 HA PRO 46 HA PRO 46 1.447 6.204 -6.394 317 1HB PRO 46 1HB PRO 46 1.901 3.536 -6.013 318 2HB PRO 46 2HB PRO 46 2.078 4.326 -7.567 319 1HG PRO 46 1HG PRO 46 4.182 3.408 -5.704 320 2HG PRO 46 2HG PRO 46 4.318 3.798 -7.407 321 1HD PRO 46 1HD PRO 46 5.159 5.426 -5.200 322 2HD PRO 46 2HD PRO 46 5.188 5.864 -6.897 323 H TRP 47 H TRP 47 0.467 7.270 -4.688 324 HA TRP 47 HA TRP 47 0.842 6.992 -2.091 325 1HB TRP 47 1HB TRP 47 -1.608 7.309 -3.738 326 2HB TRP 47 2HB TRP 47 -1.841 6.914 -2.047 327 HD1 TRP 47 HD1 TRP 47 1.083 9.207 -3.078 328 HE1 TRP 47 HE1 TRP 47 0.744 11.659 -2.162 329 HE3 TRP 47 HE3 TRP 47 -3.651 8.477 -1.371 330 HZ2 TRP 47 HZ2 TRP 47 -1.418 12.988 -0.856 331 HZ3 TRP 47 HZ3 TRP 47 -4.805 10.404 -0.289 332 HH2 TRP 47 HH2 TRP 47 -3.765 12.599 -0.019 333 H CYS 48 H CYS 48 -1.131 4.681 -4.092 334 HA CYS 48 HA CYS 48 -1.046 2.810 -1.874 335 1HB CYS 48 1HB CYS 48 -3.159 3.384 -3.198 336 2HB CYS 48 2HB CYS 48 -2.474 2.435 -4.503 337 H PHE 49 H PHE 49 0.805 1.570 -1.809 338 HA PHE 49 HA PHE 49 1.742 0.502 -4.375 339 1HB PHE 49 1HB PHE 49 4.054 0.660 -3.155 340 2HB PHE 49 2HB PHE 49 3.362 2.175 -3.701 341 HD1 PHE 49 HD1 PHE 49 3.485 -0.020 -0.689 342 HD2 PHE 49 HD2 PHE 49 3.162 3.931 -2.202 343 HE1 PHE 49 HE1 PHE 49 3.626 0.886 1.648 344 HE2 PHE 49 HE2 PHE 49 3.303 4.837 0.135 345 HZ PHE 49 HZ PHE 49 3.534 3.304 2.032 346 H LYS 50 H LYS 50 3.166 -1.506 -4.042 347 HA LYS 50 HA LYS 50 1.713 -3.343 -2.470 348 1HB LYS 50 1HB LYS 50 4.293 -3.539 -4.041 349 2HB LYS 50 2HB LYS 50 3.590 -4.902 -3.192 350 1HG LYS 50 1HG LYS 50 1.380 -3.982 -4.546 351 2HG LYS 50 2HG LYS 50 2.645 -3.511 -5.664 352 1HD LYS 50 1HD LYS 50 3.375 -6.121 -4.903 353 2HD LYS 50 2HD LYS 50 1.628 -6.201 -5.020 354 1HE LYS 50 1HE LYS 50 2.595 -4.678 -7.277 355 2HE LYS 50 2HE LYS 50 3.559 -6.137 -7.163 356 1HZ LYS 50 1HZ LYS 50 0.764 -6.563 -6.761 357 2HZ LYS 50 2HZ LYS 50 1.133 -6.004 -8.251 358 3HZ LYS 50 3HZ LYS 50 1.818 -7.381 -7.703 359 HA PRO 51 HA PRO 51 3.911 -3.276 1.243 360 1HB PRO 51 1HB PRO 51 3.951 -5.891 2.036 361 2HB PRO 51 2HB PRO 51 2.546 -4.858 2.210 362 1HG PRO 51 1HG PRO 51 3.026 -7.019 0.250 363 2HG PRO 51 2HG PRO 51 1.509 -6.278 0.717 364 1HD PRO 51 1HD PRO 51 2.986 -5.793 -1.694 365 2HD PRO 51 2HD PRO 51 1.530 -4.969 -1.173 366 H LEU 52 H LEU 52 5.944 -2.650 1.547 367 HA LEU 52 HA LEU 52 8.024 -3.246 0.032 368 1HB LEU 52 1HB LEU 52 8.216 -1.663 1.771 369 2HB LEU 52 2HB LEU 52 7.901 -2.858 3.014 370 HG LEU 52 HG LEU 52 10.374 -2.842 1.263 371 1HD1 LEU 52 1HD1 LEU 52 9.693 -1.161 3.492 372 2HD1 LEU 52 2HD1 LEU 52 11.044 -2.232 3.937 373 3HD1 LEU 52 3HD1 LEU 52 11.172 -1.186 2.502 374 1HD2 LEU 52 1HD2 LEU 52 9.279 -4.736 3.187 375 2HD2 LEU 52 2HD2 LEU 52 10.608 -4.924 2.018 376 3HD2 LEU 52 3HD2 LEU 52 10.923 -4.205 3.616 377 H GLN 53 H GLN 53 9.316 -4.944 -0.523 378 HA GLN 53 HA GLN 53 8.503 -7.496 0.092 379 1HB GLN 53 1HB GLN 53 10.765 -8.155 -0.895 380 2HB GLN 53 2HB GLN 53 9.763 -7.136 -1.908 381 1HG GLN 53 1HG GLN 53 11.504 -5.575 -0.096 382 2HG GLN 53 2HG GLN 53 12.415 -6.617 -1.171 383 2HE2 GLN 53 2HE2 GLN 53 10.870 -3.687 -0.816 384 1HE2 GLN 53 1HE2 GLN 53 10.761 -3.182 -2.469 385 H GLU 54 H GLU 54 8.285 -7.673 2.409 386 HA GLU 54 HA GLU 54 10.361 -7.089 4.147 387 1HB GLU 54 1HB GLU 54 9.051 -8.286 5.815 388 2HB GLU 54 2HB GLU 54 7.958 -7.379 4.788 389 1HG GLU 54 1HG GLU 54 8.125 -9.790 3.422 390 2HG GLU 54 2HG GLU 54 8.268 -10.322 5.085 391 H ALA 55 H ALA 55 12.311 -7.976 3.198 392 HA ALA 55 HA ALA 55 12.426 -10.905 3.208 393 1HB ALA 55 1HB ALA 55 14.775 -10.039 2.089 394 2HB ALA 55 2HB ALA 55 13.299 -10.412 1.167 395 3HB ALA 55 3HB ALA 55 13.665 -8.730 1.620 396 H GLU 56 H GLU 56 12.513 -11.037 5.557 397 HA GLU 56 HA GLU 56 15.061 -11.223 6.518 398 1HB GLU 56 1HB GLU 56 14.042 -8.499 6.661 399 2HB GLU 56 2HB GLU 56 14.298 -9.121 8.280 400 1HG GLU 56 1HG GLU 56 16.608 -9.467 7.937 401 2HG GLU 56 2HG GLU 56 16.441 -9.581 6.196 402 H CYS 57 H CYS 57 11.802 -10.054 7.641 403 HA CYS 57 HA CYS 57 10.322 -10.988 8.978 404 1HB CYS 57 1HB CYS 57 11.736 -13.257 8.039 405 2HB CYS 57 2HB CYS 57 11.521 -13.477 9.764 406 H THR 58 H THR 58 13.537 -12.287 10.113 407 HA THR 58 HA THR 58 14.647 -12.034 12.022 408 HB THR 58 HB THR 58 13.077 -9.404 12.150 409 HG1 THR 58 HG1 THR 58 15.629 -10.357 11.059 410 1HG2 THR 58 1HG2 THR 58 14.649 -10.410 14.170 411 2HG2 THR 58 2HG2 THR 58 15.892 -9.660 13.140 412 3HG2 THR 58 3HG2 THR 58 14.555 -8.676 13.781 413 H PHE 59 H PHE 59 14.549 -12.577 14.218 414 HA PHE 59 HA PHE 59 13.646 -13.389 16.057 415 1HB PHE 59 1HB PHE 59 12.227 -11.074 15.486 416 2HB PHE 59 2HB PHE 59 10.919 -12.240 15.452 417 HD1 PHE 59 HD1 PHE 59 11.328 -14.049 17.571 418 HD2 PHE 59 HD2 PHE 59 12.293 -9.918 17.468 419 HE1 PHE 59 HE1 PHE 59 11.175 -13.951 20.075 420 HE2 PHE 59 HE2 PHE 59 12.140 -9.819 19.971 421 HZ PHE 59 HZ PHE 59 11.583 -11.837 21.245 No H/Q in entry = 421 Start of MODEL 49 1 H GLU 1 H GLU 1 10.123 -13.184 17.971 2 HA GLU 1 HA GLU 1 7.977 -13.407 17.542 3 1HB GLU 1 1HB GLU 1 7.516 -13.500 20.014 4 2HB GLU 1 2HB GLU 1 7.362 -11.755 20.031 5 1HG GLU 1 1HG GLU 1 5.520 -11.968 18.283 6 2HG GLU 1 2HG GLU 1 5.618 -13.709 18.460 7 H GLU 2 H GLU 2 7.929 -12.272 15.619 8 HA GLU 2 HA GLU 2 8.026 -9.402 15.747 9 1HB GLU 2 1HB GLU 2 8.233 -11.474 13.567 10 2HB GLU 2 2HB GLU 2 7.788 -9.840 13.119 11 1HG GLU 2 1HG GLU 2 9.858 -9.148 14.631 12 2HG GLU 2 2HG GLU 2 10.353 -10.814 14.407 13 H TYR 3 H TYR 3 6.437 -8.543 13.661 14 HA TYR 3 HA TYR 3 3.834 -9.711 13.778 15 1HB TYR 3 1HB TYR 3 4.603 -8.005 15.877 16 2HB TYR 3 2HB TYR 3 3.907 -6.862 14.744 17 HD1 TYR 3 HD1 TYR 3 1.594 -8.058 13.618 18 HD2 TYR 3 HD2 TYR 3 3.133 -8.537 17.581 19 HE1 TYR 3 HE1 TYR 3 -0.732 -8.649 14.458 20 HE2 TYR 3 HE2 TYR 3 0.802 -9.127 18.408 21 HH TYR 3 HH TYR 3 -1.946 -9.196 16.151 22 H VAL 4 H VAL 4 2.505 -8.950 12.102 23 HA VAL 4 HA VAL 4 3.492 -6.643 10.611 24 HB VAL 4 HB VAL 4 3.176 -9.457 9.601 25 1HG1 VAL 4 1HG1 VAL 4 2.551 -6.928 8.177 26 2HG1 VAL 4 2HG1 VAL 4 3.584 -8.085 7.304 27 3HG1 VAL 4 3HG1 VAL 4 1.978 -8.587 7.883 28 1HG2 VAL 4 1HG2 VAL 4 5.377 -7.823 10.229 29 2HG2 VAL 4 2HG2 VAL 4 5.395 -9.384 9.376 30 3HG2 VAL 4 3HG2 VAL 4 5.307 -7.866 8.451 31 H GLY 5 H GLY 5 1.700 -5.464 11.427 32 1HA GLY 5 1HA GLY 5 -0.951 -6.455 11.375 33 2HA GLY 5 2HA GLY 5 -0.628 -5.550 9.910 34 H LEU 6 H LEU 6 0.961 -4.887 13.057 35 HA LEU 6 HA LEU 6 -0.648 -2.437 13.239 36 1HB LEU 6 1HB LEU 6 0.455 -2.670 15.682 37 2HB LEU 6 2HB LEU 6 -1.129 -3.275 15.239 38 HG LEU 6 HG LEU 6 0.175 -4.901 16.539 39 1HD1 LEU 6 1HD1 LEU 6 -1.291 -5.371 14.208 40 2HD1 LEU 6 2HD1 LEU 6 0.139 -6.422 14.072 41 3HD1 LEU 6 3HD1 LEU 6 -0.916 -6.535 15.501 42 1HD2 LEU 6 1HD2 LEU 6 2.287 -4.124 14.787 43 2HD2 LEU 6 2HD2 LEU 6 2.343 -5.205 16.200 44 3HD2 LEU 6 3HD2 LEU 6 2.003 -5.870 14.584 45 H SER 7 H SER 7 1.456 -2.567 11.361 46 HA SER 7 HA SER 7 2.998 -0.413 12.318 47 1HB SER 7 1HB SER 7 5.237 -1.481 12.028 48 2HB SER 7 2HB SER 7 4.335 -2.166 13.365 49 HG SER 7 HG SER 7 3.613 -3.681 11.340 50 H ALA 8 H ALA 8 4.454 0.447 10.528 51 HA ALA 8 HA ALA 8 3.170 -0.074 7.983 52 1HB ALA 8 1HB ALA 8 4.247 2.178 9.318 53 2HB ALA 8 2HB ALA 8 5.313 1.879 7.924 54 3HB ALA 8 3HB ALA 8 3.567 2.116 7.674 55 H ASN 9 H ASN 9 5.379 -1.751 9.624 56 HA ASN 9 HA ASN 9 7.711 -1.816 8.360 57 1HB ASN 9 1HB ASN 9 6.080 -3.697 9.860 58 2HB ASN 9 2HB ASN 9 6.862 -4.568 8.557 59 2HD2 ASN 9 2HD2 ASN 9 7.157 -3.543 11.664 60 1HD2 ASN 9 1HD2 ASN 9 8.876 -3.583 11.873 61 H GLN 10 H GLN 10 4.532 -3.010 7.195 62 HA GLN 10 HA GLN 10 5.685 -4.261 4.905 63 1HB GLN 10 1HB GLN 10 2.748 -3.664 5.034 64 2HB GLN 10 2HB GLN 10 3.566 -5.125 4.517 65 1HG GLN 10 1HG GLN 10 3.022 -4.184 7.355 66 2HG GLN 10 2HG GLN 10 2.536 -5.690 6.603 67 2HE2 GLN 10 2HE2 GLN 10 4.050 -5.140 9.056 68 1HE2 GLN 10 1HE2 GLN 10 5.551 -5.994 8.931 69 H CYS 11 H CYS 11 4.170 -1.154 5.775 70 HA CYS 11 HA CYS 11 4.486 -0.328 2.981 71 1HB CYS 11 1HB CYS 11 2.847 1.379 4.725 72 2HB CYS 11 2HB CYS 11 2.592 0.873 3.067 73 H ALA 12 H ALA 12 6.791 -0.466 4.510 74 HA ALA 12 HA ALA 12 7.186 2.300 5.423 75 1HB ALA 12 1HB ALA 12 9.206 1.187 6.603 76 2HB ALA 12 2HB ALA 12 7.583 0.870 7.262 77 3HB ALA 12 3HB ALA 12 8.388 -0.354 6.250 78 H VAL 13 H VAL 13 7.132 1.998 2.700 79 HA VAL 13 HA VAL 13 9.850 1.481 1.825 80 HB VAL 13 HB VAL 13 7.846 2.517 -0.070 81 1HG1 VAL 13 1HG1 VAL 13 10.097 0.626 0.021 82 2HG1 VAL 13 2HG1 VAL 13 8.723 0.062 -0.959 83 3HG1 VAL 13 3HG1 VAL 13 9.490 1.627 -1.320 84 1HG2 VAL 13 1HG2 VAL 13 7.339 0.043 1.576 85 2HG2 VAL 13 2HG2 VAL 13 6.210 1.331 1.094 86 3HG2 VAL 13 3HG2 VAL 13 6.774 0.147 -0.109 87 HA PRO 14 HA PRO 14 10.928 5.667 1.831 88 1HB PRO 14 1HB PRO 14 12.985 5.679 0.031 89 2HB PRO 14 2HB PRO 14 13.171 5.162 1.695 90 1HG PRO 14 1HG PRO 14 13.039 3.513 -0.755 91 2HG PRO 14 2HG PRO 14 13.637 3.074 0.833 92 1HD PRO 14 1HD PRO 14 11.119 2.326 -0.318 93 2HD PRO 14 2HD PRO 14 11.669 1.986 1.311 94 H ALA 15 H ALA 15 9.259 4.282 -0.582 95 HA ALA 15 HA ALA 15 7.795 5.350 -1.937 96 1HB ALA 15 1HB ALA 15 9.416 7.875 -2.071 97 2HB ALA 15 2HB ALA 15 7.650 7.653 -2.077 98 3HB ALA 15 3HB ALA 15 8.561 7.499 -0.556 99 H LYS 16 H LYS 16 11.295 5.300 -2.196 100 HA LYS 16 HA LYS 16 11.175 5.513 -5.092 101 1HB LYS 16 1HB LYS 16 13.604 5.544 -4.979 102 2HB LYS 16 2HB LYS 16 12.922 6.742 -3.898 103 1HG LYS 16 1HG LYS 16 14.599 5.692 -2.585 104 2HG LYS 16 2HG LYS 16 13.112 4.946 -2.033 105 1HD LYS 16 1HD LYS 16 13.641 2.888 -2.934 106 2HD LYS 16 2HD LYS 16 14.404 3.582 -4.351 107 1HE LYS 16 1HE LYS 16 16.481 3.854 -3.280 108 2HE LYS 16 2HE LYS 16 15.768 3.951 -1.682 109 1HZ LYS 16 1HZ LYS 16 15.783 1.500 -3.300 110 2HZ LYS 16 2HZ LYS 16 16.900 1.844 -2.159 111 3HZ LYS 16 3HZ LYS 16 15.336 1.637 -1.736 112 H ASP 17 H ASP 17 10.137 3.223 -3.158 113 HA ASP 17 HA ASP 17 11.305 1.142 -4.818 114 1HB ASP 17 1HB ASP 17 11.598 1.438 -1.972 115 2HB ASP 17 2HB ASP 17 10.526 0.077 -2.235 116 H ARG 18 H ARG 18 8.695 2.889 -4.494 117 HA ARG 18 HA ARG 18 6.738 1.025 -3.683 118 1HB ARG 18 1HB ARG 18 6.283 3.533 -5.364 119 2HB ARG 18 2HB ARG 18 5.135 2.752 -4.294 120 1HG ARG 18 1HG ARG 18 7.754 4.018 -3.358 121 2HG ARG 18 2HG ARG 18 6.203 4.833 -3.319 122 1HD ARG 18 1HD ARG 18 5.393 2.716 -1.958 123 2HD ARG 18 2HD ARG 18 7.102 2.420 -1.709 124 HE ARG 18 HE ARG 18 7.081 4.127 -0.129 125 1HH1 ARG 18 1HH1 ARG 18 4.529 4.756 -2.468 126 2HH1 ARG 18 2HH1 ARG 18 3.963 6.180 -1.660 127 1HH2 ARG 18 1HH2 ARG 18 6.335 6.006 0.938 128 2HH2 ARG 18 2HH2 ARG 18 4.998 6.895 0.290 129 H VAL 19 H VAL 19 6.092 -0.711 -4.918 130 HA VAL 19 HA VAL 19 6.725 -0.773 -7.713 131 HB VAL 19 HB VAL 19 5.298 -2.691 -5.863 132 1HG1 VAL 19 1HG1 VAL 19 5.991 -2.875 -8.790 133 2HG1 VAL 19 2HG1 VAL 19 5.927 -4.338 -7.778 134 3HG1 VAL 19 3HG1 VAL 19 4.481 -3.314 -7.956 135 1HG2 VAL 19 1HG2 VAL 19 7.651 -2.352 -5.292 136 2HG2 VAL 19 2HG2 VAL 19 7.400 -3.975 -5.977 137 3HG2 VAL 19 3HG2 VAL 19 8.125 -2.691 -6.974 138 H ASP 20 H ASP 20 4.254 0.622 -5.870 139 HA ASP 20 HA ASP 20 2.308 1.452 -6.339 140 1HB ASP 20 1HB ASP 20 3.187 2.563 -8.252 141 2HB ASP 20 2HB ASP 20 3.393 1.067 -9.142 142 H CYS 21 H CYS 21 0.469 0.255 -5.833 143 HA CYS 21 HA CYS 21 0.181 -2.373 -6.955 144 1HB CYS 21 1HB CYS 21 -0.489 -1.199 -4.537 145 2HB CYS 21 2HB CYS 21 -2.038 -1.373 -5.336 146 H GLY 22 H GLY 22 -0.815 0.903 -7.591 147 1HA GLY 22 1HA GLY 22 -2.191 0.208 -9.956 148 2HA GLY 22 2HA GLY 22 -2.106 1.790 -9.207 149 H TYR 23 H TYR 23 -3.737 2.472 -7.699 150 HA TYR 23 HA TYR 23 -6.174 0.860 -7.903 151 1HB TYR 23 1HB TYR 23 -4.611 1.921 -5.512 152 2HB TYR 23 2HB TYR 23 -6.359 1.917 -5.388 153 HD1 TYR 23 HD1 TYR 23 -7.557 -0.362 -5.893 154 HD2 TYR 23 HD2 TYR 23 -3.401 0.001 -4.941 155 HE1 TYR 23 HE1 TYR 23 -7.495 -2.807 -5.195 156 HE2 TYR 23 HE2 TYR 23 -3.354 -2.444 -4.247 157 HH TYR 23 HH TYR 23 -4.930 -4.116 -3.443 158 HA PRO 24 HA PRO 24 -7.895 4.736 -8.781 159 1HB PRO 24 1HB PRO 24 -10.551 4.171 -8.478 160 2HB PRO 24 2HB PRO 24 -9.646 3.773 -9.924 161 1HG PRO 24 1HG PRO 24 -10.567 1.980 -7.762 162 2HG PRO 24 2HG PRO 24 -10.052 1.567 -9.385 163 1HD PRO 24 1HD PRO 24 -8.535 1.254 -6.971 164 2HD PRO 24 2HD PRO 24 -7.979 0.951 -8.605 165 H HIS 25 H HIS 25 -10.144 3.585 -6.335 166 HA HIS 25 HA HIS 25 -9.813 6.121 -5.007 167 1HB HIS 25 1HB HIS 25 -11.765 5.580 -3.807 168 2HB HIS 25 2HB HIS 25 -12.040 5.028 -5.448 169 HD1 HIS 25 HD1 HIS 25 -13.579 3.867 -2.960 170 HD2 HIS 25 HD2 HIS 25 -10.208 2.122 -4.746 171 HE1 HIS 25 HE1 HIS 25 -13.653 1.389 -2.358 172 HE2 HIS 25 HE2 HIS 25 -11.587 0.360 -3.528 173 H VAL 26 H VAL 26 -7.587 5.891 -4.304 174 HA VAL 26 HA VAL 26 -7.094 3.752 -2.396 175 HB VAL 26 HB VAL 26 -4.777 4.662 -2.464 176 1HG1 VAL 26 1HG1 VAL 26 -6.065 3.865 -5.094 177 2HG1 VAL 26 2HG1 VAL 26 -4.309 3.902 -4.803 178 3HG1 VAL 26 3HG1 VAL 26 -5.342 2.790 -3.873 179 1HG2 VAL 26 1HG2 VAL 26 -5.904 6.960 -3.421 180 2HG2 VAL 26 2HG2 VAL 26 -4.180 6.541 -3.562 181 3HG2 VAL 26 3HG2 VAL 26 -5.287 6.223 -4.919 182 H THR 27 H THR 27 -6.786 4.073 -0.190 183 HA THR 27 HA THR 27 -6.703 6.776 0.836 184 HB THR 27 HB THR 27 -8.818 6.752 1.891 185 HG1 THR 27 HG1 THR 27 -8.372 3.896 1.525 186 1HG2 THR 27 1HG2 THR 27 -9.240 4.959 -0.559 187 2HG2 THR 27 2HG2 THR 27 -10.528 5.821 0.317 188 3HG2 THR 27 3HG2 THR 27 -9.283 6.738 -0.564 189 HA PRO 28 HA PRO 28 -4.628 4.870 4.078 190 1HB PRO 28 1HB PRO 28 -5.437 6.166 6.344 191 2HB PRO 28 2HB PRO 28 -4.284 6.844 5.213 192 1HG PRO 28 1HG PRO 28 -7.127 7.551 5.609 193 2HG PRO 28 2HG PRO 28 -5.867 8.473 4.813 194 1HD PRO 28 1HD PRO 28 -7.959 6.975 3.546 195 2HD PRO 28 2HD PRO 28 -6.633 7.800 2.752 196 H LYS 29 H LYS 29 -6.853 3.379 3.217 197 HA LYS 29 HA LYS 29 -6.939 1.502 5.247 198 1HB LYS 29 1HB LYS 29 -8.361 3.514 6.206 199 2HB LYS 29 2HB LYS 29 -9.613 2.859 5.169 200 1HG LYS 29 1HG LYS 29 -8.104 0.888 6.863 201 2HG LYS 29 2HG LYS 29 -9.187 1.977 7.706 202 1HD LYS 29 1HD LYS 29 -11.100 1.228 6.433 203 2HD LYS 29 2HD LYS 29 -10.092 0.409 5.257 204 1HE LYS 29 1HE LYS 29 -10.256 -1.491 6.484 205 2HE LYS 29 2HE LYS 29 -9.367 -0.708 7.774 206 1HZ LYS 29 1HZ LYS 29 -12.279 -0.567 7.400 207 2HZ LYS 29 2HZ LYS 29 -11.505 -1.473 8.517 208 3HZ LYS 29 3HZ LYS 29 -11.448 0.157 8.605 209 H GLU 30 H GLU 30 -9.112 3.052 2.781 210 HA GLU 30 HA GLU 30 -10.172 0.671 1.887 211 1HB GLU 30 1HB GLU 30 -11.066 2.970 1.413 212 2HB GLU 30 2HB GLU 30 -9.738 3.242 0.303 213 1HG GLU 30 1HG GLU 30 -10.838 2.155 -1.354 214 2HG GLU 30 2HG GLU 30 -10.969 0.711 -0.369 215 H CYS 31 H CYS 31 -7.295 2.557 0.774 216 HA CYS 31 HA CYS 31 -6.711 0.953 -1.417 217 1HB CYS 31 1HB CYS 31 -5.576 2.919 -1.497 218 2HB CYS 31 2HB CYS 31 -5.258 2.952 0.226 219 H ASN 32 H ASN 32 -5.957 0.739 2.088 220 HA ASN 32 HA ASN 32 -4.274 -1.538 1.638 221 1HB ASN 32 1HB ASN 32 -3.594 -0.034 3.427 222 2HB ASN 32 2HB ASN 32 -5.199 -0.030 4.129 223 2HD2 ASN 32 2HD2 ASN 32 -5.706 -1.448 5.646 224 1HD2 ASN 32 1HD2 ASN 32 -4.749 -2.801 6.151 225 H ASN 33 H ASN 33 -7.544 -1.017 1.564 226 HA ASN 33 HA ASN 33 -8.239 -3.309 3.185 227 1HB ASN 33 1HB ASN 33 -9.624 -1.232 3.378 228 2HB ASN 33 2HB ASN 33 -9.982 -1.298 1.664 229 2HD2 ASN 33 2HD2 ASN 33 -11.871 -1.293 3.762 230 1HD2 ASN 33 1HD2 ASN 33 -12.767 -2.775 3.725 231 H ARG 34 H ARG 34 -8.133 -2.033 -0.170 232 HA ARG 34 HA ARG 34 -9.625 -4.045 -1.348 233 1HB ARG 34 1HB ARG 34 -8.538 -1.708 -2.223 234 2HB ARG 34 2HB ARG 34 -7.342 -2.809 -2.877 235 1HG ARG 34 1HG ARG 34 -10.350 -3.079 -3.339 236 2HG ARG 34 2HG ARG 34 -9.249 -2.310 -4.465 237 1HD ARG 34 1HD ARG 34 -7.915 -4.646 -4.181 238 2HD ARG 34 2HD ARG 34 -9.514 -5.229 -3.762 239 HE ARG 34 HE ARG 34 -9.579 -3.603 -6.171 240 1HH1 ARG 34 1HH1 ARG 34 -8.827 -6.820 -4.961 241 2HH1 ARG 34 2HH1 ARG 34 -9.114 -7.598 -6.482 242 1HH2 ARG 34 1HH2 ARG 34 -9.957 -4.628 -8.177 243 2HH2 ARG 34 2HH2 ARG 34 -9.761 -6.343 -8.324 244 H GLY 35 H GLY 35 -6.271 -3.854 -0.225 245 1HA GLY 35 1HA GLY 35 -5.718 -6.494 -1.443 246 2HA GLY 35 2HA GLY 35 -5.372 -6.133 0.236 247 H CYS 36 H CYS 36 -3.946 -4.093 0.625 248 HA CYS 36 HA CYS 36 -1.507 -4.479 -0.524 249 1HB CYS 36 1HB CYS 36 -3.159 -3.172 -2.384 250 2HB CYS 36 2HB CYS 36 -2.120 -1.921 -1.730 251 H CYS 37 H CYS 37 -0.654 -1.638 -0.554 252 HA CYS 37 HA CYS 37 -1.354 -0.918 2.199 253 1HB CYS 37 1HB CYS 37 1.298 -1.262 0.913 254 2HB CYS 37 2HB CYS 37 1.117 0.134 1.956 255 H PHE 38 H PHE 38 -1.275 1.451 2.611 256 HA PHE 38 HA PHE 38 -1.588 2.969 0.116 257 1HB PHE 38 1HB PHE 38 -3.708 2.696 1.372 258 2HB PHE 38 2HB PHE 38 -2.916 3.093 2.884 259 HD1 PHE 38 HD1 PHE 38 -4.194 4.466 -0.276 260 HD2 PHE 38 HD2 PHE 38 -2.526 5.378 3.517 261 HE1 PHE 38 HE1 PHE 38 -4.832 6.875 -0.575 262 HE2 PHE 38 HE2 PHE 38 -3.164 7.787 3.219 263 HZ PHE 38 HZ PHE 38 -4.309 8.507 1.176 264 H ASP 39 H ASP 39 -1.374 5.482 0.659 265 HA ASP 39 HA ASP 39 0.241 6.231 2.773 266 1HB ASP 39 1HB ASP 39 2.054 5.005 1.727 267 2HB ASP 39 2HB ASP 39 1.664 5.647 0.144 268 H SER 40 H SER 40 0.372 8.562 2.778 269 HA SER 40 HA SER 40 -0.476 9.841 0.307 270 1HB SER 40 1HB SER 40 -1.951 11.355 1.580 271 2HB SER 40 2HB SER 40 -2.444 9.687 1.793 272 HG SER 40 HG SER 40 -2.402 10.296 3.874 273 H ARG 41 H ARG 41 2.105 9.375 2.020 274 HA ARG 41 HA ARG 41 2.801 11.762 3.192 275 1HB ARG 41 1HB ARG 41 3.976 9.310 2.964 276 2HB ARG 41 2HB ARG 41 4.941 10.179 1.788 277 1HG ARG 41 1HG ARG 41 4.982 12.005 3.816 278 2HG ARG 41 2HG ARG 41 4.785 10.543 4.761 279 1HD ARG 41 1HD ARG 41 6.758 9.565 3.380 280 2HD ARG 41 2HD ARG 41 7.033 11.199 2.810 281 HE ARG 41 HE ARG 41 6.835 11.349 5.633 282 1HH1 ARG 41 1HH1 ARG 41 8.952 9.890 3.231 283 2HH1 ARG 41 2HH1 ARG 41 10.354 9.946 4.247 284 1HH2 ARG 41 1HH2 ARG 41 8.684 11.424 6.973 285 2HH2 ARG 41 2HH2 ARG 41 10.201 10.825 6.389 286 H ILE 42 H ILE 42 3.404 10.493 -0.157 287 HA ILE 42 HA ILE 42 3.556 13.240 -1.086 288 HB ILE 42 HB ILE 42 5.603 12.117 -2.502 289 1HG1 ILE 42 1HG1 ILE 42 7.161 11.157 -0.834 290 2HG1 ILE 42 2HG1 ILE 42 5.881 11.163 0.363 291 1HG2 ILE 42 1HG2 ILE 42 5.341 14.399 -1.414 292 2HG2 ILE 42 2HG2 ILE 42 6.026 13.665 0.056 293 3HG2 ILE 42 3HG2 ILE 42 6.982 13.709 -1.444 294 1HD1 ILE 42 1HD1 ILE 42 5.081 9.884 -2.186 295 2HD1 ILE 42 2HD1 ILE 42 6.431 9.067 -1.363 296 3HD1 ILE 42 3HD1 ILE 42 4.885 9.307 -0.514 297 HA PRO 43 HA PRO 43 1.201 11.335 -4.181 298 1HB PRO 43 1HB PRO 43 0.942 13.454 -5.887 299 2HB PRO 43 2HB PRO 43 -0.068 13.234 -4.472 300 1HG PRO 43 1HG PRO 43 2.169 15.123 -4.877 301 2HG PRO 43 2HG PRO 43 0.898 15.169 -3.671 302 1HD PRO 43 1HD PRO 43 3.618 14.356 -3.266 303 2HD PRO 43 2HD PRO 43 2.319 14.293 -2.091 304 H GLY 44 H GLY 44 4.104 13.072 -5.055 305 1HA GLY 44 1HA GLY 44 5.801 12.350 -6.380 306 2HA GLY 44 2HA GLY 44 4.549 12.415 -7.605 307 H VAL 45 H VAL 45 4.805 10.150 -4.795 308 HA VAL 45 HA VAL 45 5.455 7.994 -6.643 309 HB VAL 45 HB VAL 45 6.302 6.872 -4.851 310 1HG1 VAL 45 1HG1 VAL 45 7.083 9.463 -5.063 311 2HG1 VAL 45 2HG1 VAL 45 6.594 9.414 -3.352 312 3HG1 VAL 45 3HG1 VAL 45 7.830 8.285 -3.957 313 1HG2 VAL 45 1HG2 VAL 45 4.308 8.351 -3.110 314 2HG2 VAL 45 2HG2 VAL 45 4.330 6.621 -3.525 315 3HG2 VAL 45 3HG2 VAL 45 5.589 7.297 -2.464 316 HA PRO 46 HA PRO 46 1.515 6.223 -6.446 317 1HB PRO 46 1HB PRO 46 1.941 3.539 -6.161 318 2HB PRO 46 2HB PRO 46 2.127 4.382 -7.686 319 1HG PRO 46 1HG PRO 46 4.221 3.376 -5.858 320 2HG PRO 46 2HG PRO 46 4.361 3.826 -7.546 321 1HD PRO 46 1HD PRO 46 5.219 5.364 -5.283 322 2HD PRO 46 2HD PRO 46 5.253 5.863 -6.962 323 H TRP 47 H TRP 47 0.649 7.303 -4.654 324 HA TRP 47 HA TRP 47 0.979 6.932 -2.096 325 1HB TRP 47 1HB TRP 47 -1.508 7.212 -3.708 326 2HB TRP 47 2HB TRP 47 -1.684 6.844 -2.004 327 HD1 TRP 47 HD1 TRP 47 1.221 9.126 -3.048 328 HE1 TRP 47 HE1 TRP 47 0.856 11.601 -2.208 329 HE3 TRP 47 HE3 TRP 47 -3.561 8.440 -1.461 330 HZ2 TRP 47 HZ2 TRP 47 -1.343 12.963 -1.001 331 HZ3 TRP 47 HZ3 TRP 47 -4.746 10.393 -0.464 332 HH2 TRP 47 HH2 TRP 47 -3.713 12.596 -0.223 333 H CYS 48 H CYS 48 -1.088 4.672 -4.069 334 HA CYS 48 HA CYS 48 -0.950 2.752 -1.913 335 1HB CYS 48 1HB CYS 48 -3.022 3.361 -3.369 336 2HB CYS 48 2HB CYS 48 -2.305 2.285 -4.552 337 H PHE 49 H PHE 49 0.726 1.297 -1.846 338 HA PHE 49 HA PHE 49 1.747 0.309 -4.393 339 1HB PHE 49 1HB PHE 49 4.078 0.542 -3.237 340 2HB PHE 49 2HB PHE 49 3.344 2.036 -3.785 341 HD1 PHE 49 HD1 PHE 49 3.661 -0.107 -0.756 342 HD2 PHE 49 HD2 PHE 49 3.072 3.803 -2.298 343 HE1 PHE 49 HE1 PHE 49 3.845 0.835 1.563 344 HE2 PHE 49 HE2 PHE 49 3.256 4.745 0.022 345 HZ PHE 49 HZ PHE 49 3.640 3.250 1.924 346 H LYS 50 H LYS 50 3.209 -1.666 -4.027 347 HA LYS 50 HA LYS 50 1.811 -3.480 -2.379 348 1HB LYS 50 1HB LYS 50 4.397 -3.703 -3.943 349 2HB LYS 50 2HB LYS 50 3.656 -5.046 -3.097 350 1HG LYS 50 1HG LYS 50 1.487 -4.094 -4.498 351 2HG LYS 50 2HG LYS 50 2.782 -3.665 -5.597 352 1HD LYS 50 1HD LYS 50 3.377 -6.309 -4.717 353 2HD LYS 50 2HD LYS 50 1.652 -6.297 -5.030 354 1HE LYS 50 1HE LYS 50 2.583 -4.912 -7.232 355 2HE LYS 50 2HE LYS 50 3.927 -5.997 -6.938 356 1HZ LYS 50 1HZ LYS 50 1.347 -7.228 -6.771 357 2HZ LYS 50 2HZ LYS 50 1.730 -6.670 -8.257 358 3HZ LYS 50 3HZ LYS 50 2.704 -7.749 -7.514 359 HA PRO 51 HA PRO 51 4.060 -3.265 1.297 360 1HB PRO 51 1HB PRO 51 4.143 -5.853 2.171 361 2HB PRO 51 2HB PRO 51 2.728 -4.832 2.333 362 1HG PRO 51 1HG PRO 51 3.207 -7.048 0.436 363 2HG PRO 51 2HG PRO 51 1.687 -6.309 0.901 364 1HD PRO 51 1HD PRO 51 3.124 -5.884 -1.545 365 2HD PRO 51 2HD PRO 51 1.665 -5.060 -1.029 366 H LEU 52 H LEU 52 6.092 -2.688 1.700 367 HA LEU 52 HA LEU 52 8.172 -3.211 0.153 368 1HB LEU 52 1HB LEU 52 8.370 -1.698 1.948 369 2HB LEU 52 2HB LEU 52 8.045 -2.934 3.146 370 HG LEU 52 HG LEU 52 10.524 -2.885 1.406 371 1HD1 LEU 52 1HD1 LEU 52 9.950 -1.622 4.069 372 2HD1 LEU 52 2HD1 LEU 52 11.585 -2.218 3.692 373 3HD1 LEU 52 3HD1 LEU 52 10.833 -0.974 2.665 374 1HD2 LEU 52 1HD2 LEU 52 9.406 -4.819 3.262 375 2HD2 LEU 52 2HD2 LEU 52 10.779 -4.969 2.138 376 3HD2 LEU 52 3HD2 LEU 52 11.029 -4.287 3.763 377 H GLN 53 H GLN 53 9.493 -4.873 -0.453 378 HA GLN 53 HA GLN 53 8.677 -7.461 0.156 379 1HB GLN 53 1HB GLN 53 10.716 -8.142 -1.113 380 2HB GLN 53 2HB GLN 53 9.777 -6.927 -1.956 381 1HG GLN 53 1HG GLN 53 11.748 -5.685 -0.166 382 2HG GLN 53 2HG GLN 53 12.523 -6.784 -1.291 383 2HE2 GLN 53 2HE2 GLN 53 11.075 -3.757 -0.823 384 1HE2 GLN 53 1HE2 GLN 53 11.080 -3.173 -2.454 385 H GLU 54 H GLU 54 8.682 -7.255 2.588 386 HA GLU 54 HA GLU 54 10.760 -6.747 4.161 387 1HB GLU 54 1HB GLU 54 9.648 -7.955 5.843 388 2HB GLU 54 2HB GLU 54 8.357 -7.603 4.712 389 1HG GLU 54 1HG GLU 54 8.800 -9.884 3.635 390 2HG GLU 54 2HG GLU 54 9.905 -10.222 4.952 391 H ALA 55 H ALA 55 12.819 -7.498 4.450 392 HA ALA 55 HA ALA 55 13.385 -10.292 4.036 393 1HB ALA 55 1HB ALA 55 14.001 -10.026 1.879 394 2HB ALA 55 2HB ALA 55 15.404 -9.135 2.514 395 3HB ALA 55 3HB ALA 55 13.948 -8.251 1.997 396 H GLU 56 H GLU 56 14.746 -10.885 5.650 397 HA GLU 56 HA GLU 56 15.610 -9.175 7.548 398 1HB GLU 56 1HB GLU 56 16.240 -11.948 6.724 399 2HB GLU 56 2HB GLU 56 17.534 -11.182 7.624 400 1HG GLU 56 1HG GLU 56 16.301 -11.056 9.575 401 2HG GLU 56 2HG GLU 56 14.794 -10.749 8.734 402 H CYS 57 H CYS 57 16.626 -7.261 6.889 403 HA CYS 57 HA CYS 57 19.372 -7.368 6.479 404 1HB CYS 57 1HB CYS 57 19.084 -8.090 4.265 405 2HB CYS 57 2HB CYS 57 17.728 -7.016 3.985 406 H THR 58 H THR 58 16.548 -5.417 5.242 407 HA THR 58 HA THR 58 17.544 -2.921 5.728 408 HB THR 58 HB THR 58 15.162 -2.251 5.699 409 HG1 THR 58 HG1 THR 58 14.787 -5.139 6.065 410 1HG2 THR 58 1HG2 THR 58 16.272 -3.582 3.631 411 2HG2 THR 58 2HG2 THR 58 15.071 -4.811 4.096 412 3HG2 THR 58 3HG2 THR 58 14.539 -3.176 3.635 413 H PHE 59 H PHE 59 16.327 -5.288 8.078 414 HA PHE 59 HA PHE 59 16.307 -3.299 10.170 415 1HB PHE 59 1HB PHE 59 14.624 -5.096 10.169 416 2HB PHE 59 2HB PHE 59 15.849 -6.322 9.908 417 HD1 PHE 59 HD1 PHE 59 15.021 -3.670 12.410 418 HD2 PHE 59 HD2 PHE 59 16.467 -7.599 11.720 419 HE1 PHE 59 HE1 PHE 59 15.171 -4.049 14.886 420 HE2 PHE 59 HE2 PHE 59 16.616 -7.979 14.197 421 HZ PHE 59 HZ PHE 59 15.966 -6.200 15.750 No H/Q in entry = 421 Start of MODEL 50 1 H GLU 1 H GLU 1 6.472 -10.216 25.129 2 HA GLU 1 HA GLU 1 4.323 -9.217 24.467 3 1HB GLU 1 1HB GLU 1 7.012 -8.175 24.095 4 2HB GLU 1 2HB GLU 1 5.939 -7.459 22.909 5 1HG GLU 1 1HG GLU 1 5.051 -7.636 25.801 6 2HG GLU 1 2HG GLU 1 6.167 -6.374 25.320 7 H GLU 2 H GLU 2 3.026 -8.384 22.661 8 HA GLU 2 HA GLU 2 2.755 -10.188 20.630 9 1HB GLU 2 1HB GLU 2 1.199 -8.582 19.635 10 2HB GLU 2 2HB GLU 2 1.007 -8.579 21.377 11 1HG GLU 2 1HG GLU 2 2.904 -6.629 21.144 12 2HG GLU 2 2HG GLU 2 2.127 -6.452 19.583 13 H TYR 3 H TYR 3 2.744 -9.370 18.146 14 HA TYR 3 HA TYR 3 5.206 -7.889 17.612 15 1HB TYR 3 1HB TYR 3 6.047 -9.738 16.292 16 2HB TYR 3 2HB TYR 3 5.412 -10.522 17.725 17 HD1 TYR 3 HD1 TYR 3 3.266 -11.767 17.632 18 HD2 TYR 3 HD2 TYR 3 5.014 -10.049 14.125 19 HE1 TYR 3 HE1 TYR 3 1.768 -13.209 16.169 20 HE2 TYR 3 HE2 TYR 3 3.510 -11.497 12.674 21 HH TYR 3 HH TYR 3 1.901 -12.934 12.628 22 H VAL 4 H VAL 4 5.307 -6.982 15.456 23 HA VAL 4 HA VAL 4 2.666 -6.933 14.165 24 HB VAL 4 HB VAL 4 3.105 -4.668 13.535 25 1HG1 VAL 4 1HG1 VAL 4 2.155 -5.067 15.783 26 2HG1 VAL 4 2HG1 VAL 4 3.796 -5.029 16.471 27 3HG1 VAL 4 3HG1 VAL 4 3.116 -3.570 15.713 28 1HG2 VAL 4 1HG2 VAL 4 5.609 -5.022 13.259 29 2HG2 VAL 4 2HG2 VAL 4 5.109 -3.468 13.969 30 3HG2 VAL 4 3HG2 VAL 4 5.746 -4.760 15.014 31 H GLY 5 H GLY 5 3.806 -5.404 11.883 32 1HA GLY 5 1HA GLY 5 5.182 -7.666 10.573 33 2HA GLY 5 2HA GLY 5 5.777 -6.025 10.418 34 H LEU 6 H LEU 6 2.380 -5.952 10.764 35 HA LEU 6 HA LEU 6 2.096 -5.762 7.848 36 1HB LEU 6 1HB LEU 6 -0.112 -6.720 8.014 37 2HB LEU 6 2HB LEU 6 1.107 -7.836 8.596 38 HG LEU 6 HG LEU 6 -0.008 -6.238 10.767 39 1HD1 LEU 6 1HD1 LEU 6 -1.913 -7.847 9.053 40 2HD1 LEU 6 2HD1 LEU 6 -2.234 -7.414 10.750 41 3HD1 LEU 6 3HD1 LEU 6 -2.035 -6.136 9.527 42 1HD2 LEU 6 1HD2 LEU 6 1.253 -8.639 10.503 43 2HD2 LEU 6 2HD2 LEU 6 0.333 -8.122 11.937 44 3HD2 LEU 6 3HD2 LEU 6 -0.439 -9.153 10.708 45 H SER 7 H SER 7 2.897 -3.552 9.235 46 HA SER 7 HA SER 7 0.907 -1.760 8.648 47 1HB SER 7 1HB SER 7 0.600 -0.978 11.174 48 2HB SER 7 2HB SER 7 -0.454 -2.190 10.473 49 HG SER 7 HG SER 7 1.238 -2.428 12.601 50 H ALA 8 H ALA 8 2.370 -0.270 7.877 51 HA ALA 8 HA ALA 8 3.826 1.430 8.070 52 1HB ALA 8 1HB ALA 8 4.644 2.149 10.114 53 2HB ALA 8 2HB ALA 8 4.903 0.494 10.716 54 3HB ALA 8 3HB ALA 8 3.258 1.171 10.656 55 H ASN 9 H ASN 9 4.918 -1.745 9.428 56 HA ASN 9 HA ASN 9 7.531 -1.457 8.508 57 1HB ASN 9 1HB ASN 9 6.679 -3.099 10.281 58 2HB ASN 9 2HB ASN 9 5.988 -4.059 8.989 59 2HD2 ASN 9 2HD2 ASN 9 7.763 -5.204 10.636 60 1HD2 ASN 9 1HD2 ASN 9 9.279 -5.504 9.853 61 H GLN 10 H GLN 10 4.672 -3.384 7.316 62 HA GLN 10 HA GLN 10 5.952 -4.290 5.022 63 1HB GLN 10 1HB GLN 10 3.515 -4.703 4.253 64 2HB GLN 10 2HB GLN 10 4.049 -5.513 5.712 65 1HG GLN 10 1HG GLN 10 2.889 -3.964 7.136 66 2HG GLN 10 2HG GLN 10 2.682 -2.799 5.843 67 2HE2 GLN 10 2HE2 GLN 10 1.815 -4.297 3.759 68 1HE2 GLN 10 1HE2 GLN 10 0.268 -5.003 4.087 69 H CYS 11 H CYS 11 4.405 -1.240 5.858 70 HA CYS 11 HA CYS 11 4.633 -0.434 3.049 71 1HB CYS 11 1HB CYS 11 2.953 1.170 4.895 72 2HB CYS 11 2HB CYS 11 2.759 0.840 3.185 73 H ALA 12 H ALA 12 6.960 -0.511 4.541 74 HA ALA 12 HA ALA 12 7.303 2.257 5.465 75 1HB ALA 12 1HB ALA 12 9.496 0.540 6.179 76 2HB ALA 12 2HB ALA 12 8.331 1.358 7.247 77 3HB ALA 12 3HB ALA 12 7.974 -0.270 6.622 78 H VAL 13 H VAL 13 7.172 1.887 2.714 79 HA VAL 13 HA VAL 13 9.871 1.491 1.755 80 HB VAL 13 HB VAL 13 7.762 2.523 -0.036 81 1HG1 VAL 13 1HG1 VAL 13 10.100 0.750 -0.107 82 2HG1 VAL 13 2HG1 VAL 13 8.711 0.124 -1.027 83 3HG1 VAL 13 3HG1 VAL 13 9.368 1.737 -1.395 84 1HG2 VAL 13 1HG2 VAL 13 7.410 0.015 1.584 85 2HG2 VAL 13 2HG2 VAL 13 6.208 1.235 1.100 86 3HG2 VAL 13 3HG2 VAL 13 6.827 0.073 -0.097 87 HA PRO 14 HA PRO 14 10.873 5.697 1.836 88 1HB PRO 14 1HB PRO 14 12.929 5.762 0.037 89 2HB PRO 14 2HB PRO 14 13.124 5.233 1.696 90 1HG PRO 14 1HG PRO 14 13.020 3.605 -0.770 91 2HG PRO 14 2HG PRO 14 13.627 3.162 0.814 92 1HD PRO 14 1HD PRO 14 11.122 2.380 -0.344 93 2HD PRO 14 2HD PRO 14 11.678 2.035 1.281 94 H ALA 15 H ALA 15 9.243 4.299 -0.604 95 HA ALA 15 HA ALA 15 7.766 5.338 -1.963 96 1HB ALA 15 1HB ALA 15 9.258 7.929 -2.071 97 2HB ALA 15 2HB ALA 15 7.507 7.621 -2.000 98 3HB ALA 15 3HB ALA 15 8.494 7.492 -0.524 99 H LYS 16 H LYS 16 11.207 5.147 -2.169 100 HA LYS 16 HA LYS 16 11.161 5.553 -5.058 101 1HB LYS 16 1HB LYS 16 13.615 5.489 -4.873 102 2HB LYS 16 2HB LYS 16 12.903 6.732 -3.865 103 1HG LYS 16 1HG LYS 16 14.623 5.557 -2.579 104 2HG LYS 16 2HG LYS 16 13.054 5.205 -1.882 105 1HD LYS 16 1HD LYS 16 13.038 2.990 -2.666 106 2HD LYS 16 2HD LYS 16 14.105 3.342 -4.011 107 1HE LYS 16 1HE LYS 16 16.006 3.004 -2.765 108 2HE LYS 16 2HE LYS 16 15.353 3.820 -1.359 109 1HZ LYS 16 1HZ LYS 16 13.937 1.797 -1.073 110 2HZ LYS 16 2HZ LYS 16 14.860 1.057 -2.199 111 3HZ LYS 16 3HZ LYS 16 15.534 1.579 -0.806 112 H ASP 17 H ASP 17 10.215 3.171 -3.080 113 HA ASP 17 HA ASP 17 11.298 1.160 -4.883 114 1HB ASP 17 1HB ASP 17 12.469 0.692 -2.873 115 2HB ASP 17 2HB ASP 17 11.110 1.141 -1.862 116 H ARG 18 H ARG 18 8.710 2.853 -4.539 117 HA ARG 18 HA ARG 18 6.769 1.026 -3.624 118 1HB ARG 18 1HB ARG 18 6.314 3.478 -5.389 119 2HB ARG 18 2HB ARG 18 5.151 2.727 -4.316 120 1HG ARG 18 1HG ARG 18 7.754 4.037 -3.398 121 2HG ARG 18 2HG ARG 18 6.185 4.816 -3.357 122 1HD ARG 18 1HD ARG 18 5.427 2.714 -1.957 123 2HD ARG 18 2HD ARG 18 7.142 2.434 -1.730 124 HE ARG 18 HE ARG 18 7.139 4.165 -0.175 125 1HH1 ARG 18 1HH1 ARG 18 4.515 4.720 -2.453 126 2HH1 ARG 18 2HH1 ARG 18 3.942 6.140 -1.644 127 1HH2 ARG 18 1HH2 ARG 18 6.384 6.038 0.893 128 2HH2 ARG 18 2HH2 ARG 18 5.012 6.895 0.273 129 H VAL 19 H VAL 19 5.899 -0.674 -4.773 130 HA VAL 19 HA VAL 19 6.562 -0.909 -7.569 131 HB VAL 19 HB VAL 19 5.078 -2.705 -5.639 132 1HG1 VAL 19 1HG1 VAL 19 5.711 -2.962 -8.555 133 2HG1 VAL 19 2HG1 VAL 19 5.815 -4.415 -7.531 134 3HG1 VAL 19 3HG1 VAL 19 4.286 -3.510 -7.640 135 1HG2 VAL 19 1HG2 VAL 19 7.488 -2.304 -5.125 136 2HG2 VAL 19 2HG2 VAL 19 7.118 -3.998 -5.530 137 3HG2 VAL 19 3HG2 VAL 19 7.900 -2.946 -6.734 138 H ASP 20 H ASP 20 4.104 0.556 -5.713 139 HA ASP 20 HA ASP 20 2.168 1.406 -6.189 140 1HB ASP 20 1HB ASP 20 3.072 2.510 -8.096 141 2HB ASP 20 2HB ASP 20 3.259 1.015 -8.990 142 H CYS 21 H CYS 21 0.332 0.207 -5.676 143 HA CYS 21 HA CYS 21 0.026 -2.420 -6.761 144 1HB CYS 21 1HB CYS 21 -0.603 -1.358 -4.380 145 2HB CYS 21 2HB CYS 21 -2.148 -1.145 -5.181 146 H GLY 22 H GLY 22 -0.921 0.849 -7.527 147 1HA GLY 22 1HA GLY 22 -2.204 0.090 -9.927 148 2HA GLY 22 2HA GLY 22 -2.127 1.694 -9.227 149 H TYR 23 H TYR 23 -3.799 2.435 -7.784 150 HA TYR 23 HA TYR 23 -6.266 0.898 -8.092 151 1HB TYR 23 1HB TYR 23 -4.729 1.757 -5.619 152 2HB TYR 23 2HB TYR 23 -6.470 1.935 -5.540 153 HD1 TYR 23 HD1 TYR 23 -7.789 -0.270 -6.437 154 HD2 TYR 23 HD2 TYR 23 -3.841 -0.215 -4.790 155 HE1 TYR 23 HE1 TYR 23 -8.007 -2.725 -5.816 156 HE2 TYR 23 HE2 TYR 23 -4.072 -2.671 -4.175 157 HH TYR 23 HH TYR 23 -6.752 -4.568 -5.306 158 HA PRO 24 HA PRO 24 -7.828 4.856 -8.890 159 1HB PRO 24 1HB PRO 24 -10.511 4.386 -8.664 160 2HB PRO 24 2HB PRO 24 -9.586 3.992 -10.100 161 1HG PRO 24 1HG PRO 24 -10.626 2.178 -8.010 162 2HG PRO 24 2HG PRO 24 -10.087 1.790 -9.631 163 1HD PRO 24 1HD PRO 24 -8.643 1.354 -7.191 164 2HD PRO 24 2HD PRO 24 -8.058 1.074 -8.820 165 H HIS 25 H HIS 25 -9.993 3.580 -6.406 166 HA HIS 25 HA HIS 25 -9.693 6.121 -5.046 167 1HB HIS 25 1HB HIS 25 -11.636 5.522 -3.814 168 2HB HIS 25 2HB HIS 25 -11.939 5.136 -5.496 169 HD1 HIS 25 HD1 HIS 25 -13.591 3.762 -3.289 170 HD2 HIS 25 HD2 HIS 25 -10.077 2.151 -4.917 171 HE1 HIS 25 HE1 HIS 25 -13.700 1.247 -2.877 172 HE2 HIS 25 HE2 HIS 25 -11.540 0.305 -3.947 173 H VAL 26 H VAL 26 -7.497 5.888 -4.306 174 HA VAL 26 HA VAL 26 -7.055 3.692 -2.434 175 HB VAL 26 HB VAL 26 -4.701 4.464 -2.540 176 1HG1 VAL 26 1HG1 VAL 26 -6.015 3.832 -5.205 177 2HG1 VAL 26 2HG1 VAL 26 -4.279 3.673 -4.848 178 3HG1 VAL 26 3HG1 VAL 26 -5.460 2.658 -3.988 179 1HG2 VAL 26 1HG2 VAL 26 -5.408 6.859 -3.196 180 2HG2 VAL 26 2HG2 VAL 26 -3.958 6.173 -3.967 181 3HG2 VAL 26 3HG2 VAL 26 -5.498 6.229 -4.858 182 H THR 27 H THR 27 -6.906 3.996 -0.240 183 HA THR 27 HA THR 27 -6.579 6.690 0.785 184 HB THR 27 HB THR 27 -8.710 6.841 1.800 185 HG1 THR 27 HG1 THR 27 -9.927 4.815 2.119 186 1HG2 THR 27 1HG2 THR 27 -9.151 5.149 -0.715 187 2HG2 THR 27 2HG2 THR 27 -10.458 5.962 0.180 188 3HG2 THR 27 3HG2 THR 27 -9.190 6.926 -0.616 189 HA PRO 28 HA PRO 28 -4.708 4.623 4.050 190 1HB PRO 28 1HB PRO 28 -5.368 6.057 6.281 191 2HB PRO 28 2HB PRO 28 -4.144 6.573 5.137 192 1HG PRO 28 1HG PRO 28 -6.889 7.607 5.506 193 2HG PRO 28 2HG PRO 28 -5.532 8.360 4.692 194 1HD PRO 28 1HD PRO 28 -7.779 7.078 3.454 195 2HD PRO 28 2HD PRO 28 -6.367 7.728 2.646 196 H LYS 29 H LYS 29 -7.111 3.394 3.218 197 HA LYS 29 HA LYS 29 -7.408 1.594 5.313 198 1HB LYS 29 1HB LYS 29 -8.600 3.741 6.216 199 2HB LYS 29 2HB LYS 29 -9.889 3.286 5.120 200 1HG LYS 29 1HG LYS 29 -8.725 1.176 6.948 201 2HG LYS 29 2HG LYS 29 -9.831 2.356 7.622 202 1HD LYS 29 1HD LYS 29 -11.484 1.757 5.776 203 2HD LYS 29 2HD LYS 29 -10.396 0.475 5.284 204 1HE LYS 29 1HE LYS 29 -11.789 -0.712 6.730 205 2HE LYS 29 2HE LYS 29 -10.529 -0.233 7.851 206 1HZ LYS 29 1HZ LYS 29 -13.000 1.296 7.412 207 2HZ LYS 29 2HZ LYS 29 -12.773 0.244 8.641 208 3HZ LYS 29 3HZ LYS 29 -11.862 1.596 8.544 209 H GLU 30 H GLU 30 -8.819 3.255 2.466 210 HA GLU 30 HA GLU 30 -10.246 0.910 1.707 211 1HB GLU 30 1HB GLU 30 -11.129 3.152 1.186 212 2HB GLU 30 2HB GLU 30 -9.706 3.526 0.235 213 1HG GLU 30 1HG GLU 30 -10.555 2.474 -1.590 214 2HG GLU 30 2HG GLU 30 -10.854 1.007 -0.679 215 H CYS 31 H CYS 31 -7.154 2.527 0.915 216 HA CYS 31 HA CYS 31 -6.637 0.872 -1.334 217 1HB CYS 31 1HB CYS 31 -5.527 2.861 -1.509 218 2HB CYS 31 2HB CYS 31 -5.162 2.952 0.202 219 H ASN 32 H ASN 32 -6.091 0.805 2.187 220 HA ASN 32 HA ASN 32 -4.260 -1.384 1.962 221 1HB ASN 32 1HB ASN 32 -3.975 -1.151 4.328 222 2HB ASN 32 2HB ASN 32 -4.237 0.491 3.775 223 2HD2 ASN 32 2HD2 ASN 32 -4.745 0.594 6.150 224 1HD2 ASN 32 1HD2 ASN 32 -6.394 0.383 6.634 225 H ASN 33 H ASN 33 -7.580 -0.983 1.676 226 HA ASN 33 HA ASN 33 -8.226 -3.394 3.147 227 1HB ASN 33 1HB ASN 33 -9.772 -1.553 3.546 228 2HB ASN 33 2HB ASN 33 -9.917 -1.214 1.833 229 2HD2 ASN 33 2HD2 ASN 33 -12.220 -1.369 2.500 230 1HD2 ASN 33 1HD2 ASN 33 -13.010 -2.908 2.398 231 H ARG 34 H ARG 34 -8.254 -1.844 -0.113 232 HA ARG 34 HA ARG 34 -9.603 -3.769 -1.487 233 1HB ARG 34 1HB ARG 34 -8.380 -1.413 -2.143 234 2HB ARG 34 2HB ARG 34 -7.222 -2.528 -2.839 235 1HG ARG 34 1HG ARG 34 -9.066 -1.808 -4.430 236 2HG ARG 34 2HG ARG 34 -8.898 -3.544 -4.258 237 1HD ARG 34 1HD ARG 34 -10.757 -2.334 -2.280 238 2HD ARG 34 2HD ARG 34 -11.272 -2.126 -3.942 239 HE ARG 34 HE ARG 34 -10.426 -4.839 -3.597 240 1HH1 ARG 34 1HH1 ARG 34 -13.022 -2.678 -2.607 241 2HH1 ARG 34 2HH1 ARG 34 -14.184 -3.950 -2.427 242 1HH2 ARG 34 1HH2 ARG 34 -11.959 -6.517 -3.358 243 2HH2 ARG 34 2HH2 ARG 34 -13.575 -6.148 -2.856 244 H GLY 35 H GLY 35 -6.306 -3.748 -0.192 245 1HA GLY 35 1HA GLY 35 -5.803 -6.361 -1.490 246 2HA GLY 35 2HA GLY 35 -5.435 -6.023 0.189 247 H CYS 36 H CYS 36 -3.915 -4.091 0.614 248 HA CYS 36 HA CYS 36 -1.508 -4.514 -0.546 249 1HB CYS 36 1HB CYS 36 -3.125 -3.162 -2.414 250 2HB CYS 36 2HB CYS 36 -2.027 -1.953 -1.777 251 H CYS 37 H CYS 37 -0.560 -1.711 -0.593 252 HA CYS 37 HA CYS 37 -1.211 -0.976 2.169 253 1HB CYS 37 1HB CYS 37 1.400 -1.272 0.781 254 2HB CYS 37 2HB CYS 37 1.235 0.093 1.868 255 H PHE 38 H PHE 38 -1.180 1.380 2.591 256 HA PHE 38 HA PHE 38 -1.542 2.920 0.116 257 1HB PHE 38 1HB PHE 38 -3.652 2.591 1.373 258 2HB PHE 38 2HB PHE 38 -2.864 2.983 2.888 259 HD1 PHE 38 HD1 PHE 38 -4.055 4.402 -0.304 260 HD2 PHE 38 HD2 PHE 38 -2.636 5.237 3.607 261 HE1 PHE 38 HE1 PHE 38 -4.739 6.803 -0.568 262 HE2 PHE 38 HE2 PHE 38 -3.320 7.638 3.343 263 HZ PHE 38 HZ PHE 38 -4.364 8.392 1.258 264 H ASP 39 H ASP 39 -1.367 5.428 0.680 265 HA ASP 39 HA ASP 39 0.234 6.185 2.802 266 1HB ASP 39 1HB ASP 39 2.095 5.045 1.795 267 2HB ASP 39 2HB ASP 39 1.658 5.582 0.185 268 H SER 40 H SER 40 0.414 8.531 2.794 269 HA SER 40 HA SER 40 -0.506 9.809 0.350 270 1HB SER 40 1HB SER 40 -1.965 11.315 1.661 271 2HB SER 40 2HB SER 40 -2.454 9.643 1.851 272 HG SER 40 HG SER 40 -0.601 10.751 3.733 273 H ARG 41 H ARG 41 2.095 9.356 2.061 274 HA ARG 41 HA ARG 41 2.793 11.741 3.220 275 1HB ARG 41 1HB ARG 41 3.986 9.299 2.949 276 2HB ARG 41 2HB ARG 41 4.928 10.192 1.772 277 1HG ARG 41 1HG ARG 41 4.693 11.863 4.099 278 2HG ARG 41 2HG ARG 41 5.119 10.259 4.662 279 1HD ARG 41 1HD ARG 41 7.270 10.753 4.102 280 2HD ARG 41 2HD ARG 41 6.781 10.602 2.426 281 HE ARG 41 HE ARG 41 6.037 13.198 3.105 282 1HH1 ARG 41 1HH1 ARG 41 9.043 11.372 3.208 283 2HH1 ARG 41 2HH1 ARG 41 10.046 12.765 2.979 284 1HH2 ARG 41 1HH2 ARG 41 7.360 15.037 2.802 285 2HH2 ARG 41 2HH2 ARG 41 9.083 14.864 2.747 286 H ILE 42 H ILE 42 3.395 10.496 -0.142 287 HA ILE 42 HA ILE 42 3.487 13.253 -1.058 288 HB ILE 42 HB ILE 42 5.537 12.166 -2.500 289 1HG1 ILE 42 1HG1 ILE 42 7.125 11.221 -0.852 290 2HG1 ILE 42 2HG1 ILE 42 5.858 11.205 0.359 291 1HG2 ILE 42 1HG2 ILE 42 5.145 14.417 -1.178 292 2HG2 ILE 42 2HG2 ILE 42 6.189 13.625 0.026 293 3HG2 ILE 42 3HG2 ILE 42 6.780 13.880 -1.633 294 1HD1 ILE 42 1HD1 ILE 42 5.039 9.925 -2.181 295 2HD1 ILE 42 2HD1 ILE 42 6.420 9.127 -1.391 296 3HD1 ILE 42 3HD1 ILE 42 4.888 9.333 -0.509 297 HA PRO 43 HA PRO 43 1.140 11.343 -4.154 298 1HB PRO 43 1HB PRO 43 0.886 13.454 -5.872 299 2HB PRO 43 2HB PRO 43 -0.123 13.244 -4.455 300 1HG PRO 43 1HG PRO 43 2.118 15.125 -4.872 301 2HG PRO 43 2HG PRO 43 0.848 15.182 -3.666 302 1HD PRO 43 1HD PRO 43 3.567 14.363 -3.258 303 2HD PRO 43 2HD PRO 43 2.269 14.310 -2.082 304 H GLY 44 H GLY 44 4.043 13.074 -5.047 305 1HA GLY 44 1HA GLY 44 5.739 12.335 -6.366 306 2HA GLY 44 2HA GLY 44 4.487 12.403 -7.591 307 H VAL 45 H VAL 45 4.811 10.149 -4.771 308 HA VAL 45 HA VAL 45 5.423 7.985 -6.614 309 HB VAL 45 HB VAL 45 6.274 6.870 -4.820 310 1HG1 VAL 45 1HG1 VAL 45 7.108 9.409 -5.063 311 2HG1 VAL 45 2HG1 VAL 45 6.534 9.466 -3.379 312 3HG1 VAL 45 3HG1 VAL 45 7.778 8.286 -3.856 313 1HG2 VAL 45 1HG2 VAL 45 4.293 8.357 -3.071 314 2HG2 VAL 45 2HG2 VAL 45 4.292 6.629 -3.497 315 3HG2 VAL 45 3HG2 VAL 45 5.563 7.284 -2.437 316 HA PRO 46 HA PRO 46 1.478 6.227 -6.411 317 1HB PRO 46 1HB PRO 46 1.904 3.540 -6.150 318 2HB PRO 46 2HB PRO 46 2.081 4.394 -7.669 319 1HG PRO 46 1HG PRO 46 4.185 3.372 -5.862 320 2HG PRO 46 2HG PRO 46 4.315 3.835 -7.548 321 1HD PRO 46 1HD PRO 46 5.189 5.355 -5.278 322 2HD PRO 46 2HD PRO 46 5.212 5.866 -6.954 323 H TRP 47 H TRP 47 0.610 7.284 -4.612 324 HA TRP 47 HA TRP 47 0.958 6.901 -2.056 325 1HB TRP 47 1HB TRP 47 -1.542 7.177 -3.652 326 2HB TRP 47 2HB TRP 47 -1.702 6.807 -1.946 327 HD1 TRP 47 HD1 TRP 47 1.188 9.099 -3.007 328 HE1 TRP 47 HE1 TRP 47 0.821 11.572 -2.162 329 HE3 TRP 47 HE3 TRP 47 -3.581 8.397 -1.391 330 HZ2 TRP 47 HZ2 TRP 47 -1.373 12.926 -0.939 331 HZ3 TRP 47 HZ3 TRP 47 -4.765 10.346 -0.384 332 HH2 TRP 47 HH2 TRP 47 -3.737 12.550 -0.146 333 H CYS 48 H CYS 48 -1.063 4.631 -4.063 334 HA CYS 48 HA CYS 48 -0.933 2.703 -1.909 335 1HB CYS 48 1HB CYS 48 -3.007 3.303 -3.359 336 2HB CYS 48 2HB CYS 48 -2.278 2.253 -4.559 337 H PHE 49 H PHE 49 0.729 1.231 -1.850 338 HA PHE 49 HA PHE 49 1.773 0.277 -4.399 339 1HB PHE 49 1HB PHE 49 4.100 0.517 -3.241 340 2HB PHE 49 2HB PHE 49 3.356 2.012 -3.772 341 HD1 PHE 49 HD1 PHE 49 3.688 -0.162 -0.767 342 HD2 PHE 49 HD2 PHE 49 3.072 3.761 -2.264 343 HE1 PHE 49 HE1 PHE 49 3.867 0.755 1.562 344 HE2 PHE 49 HE2 PHE 49 3.251 4.678 0.065 345 HZ PHE 49 HZ PHE 49 3.646 3.164 1.951 346 H LYS 50 H LYS 50 3.319 -1.663 -3.988 347 HA LYS 50 HA LYS 50 1.904 -3.495 -2.344 348 1HB LYS 50 1HB LYS 50 4.445 -3.718 -3.979 349 2HB LYS 50 2HB LYS 50 3.738 -5.062 -3.103 350 1HG LYS 50 1HG LYS 50 1.520 -4.138 -4.436 351 2HG LYS 50 2HG LYS 50 2.771 -3.688 -5.577 352 1HD LYS 50 1HD LYS 50 3.447 -6.319 -4.742 353 2HD LYS 50 2HD LYS 50 1.709 -6.344 -4.958 354 1HE LYS 50 1HE LYS 50 2.555 -4.911 -7.198 355 2HE LYS 50 2HE LYS 50 3.854 -6.069 -6.988 356 1HZ LYS 50 1HZ LYS 50 1.000 -6.758 -7.112 357 2HZ LYS 50 2HZ LYS 50 2.069 -6.941 -8.333 358 3HZ LYS 50 3HZ LYS 50 2.229 -7.823 -6.968 359 HA PRO 51 HA PRO 51 4.246 -3.299 1.275 360 1HB PRO 51 1HB PRO 51 4.376 -5.893 2.127 361 2HB PRO 51 2HB PRO 51 2.956 -4.887 2.332 362 1HG PRO 51 1HG PRO 51 3.409 -7.084 0.406 363 2HG PRO 51 2HG PRO 51 1.894 -6.364 0.915 364 1HD PRO 51 1HD PRO 51 3.265 -5.906 -1.563 365 2HD PRO 51 2HD PRO 51 1.812 -5.101 -1.004 366 H LEU 52 H LEU 52 6.285 -2.747 1.697 367 HA LEU 52 HA LEU 52 8.339 -3.173 0.098 368 1HB LEU 52 1HB LEU 52 8.587 -1.771 1.963 369 2HB LEU 52 2HB LEU 52 8.246 -3.060 3.100 370 HG LEU 52 HG LEU 52 10.708 -3.049 1.343 371 1HD1 LEU 52 1HD1 LEU 52 10.214 -1.113 3.212 372 2HD1 LEU 52 2HD1 LEU 52 11.076 -2.339 4.172 373 3HD1 LEU 52 3HD1 LEU 52 11.827 -1.668 2.705 374 1HD2 LEU 52 1HD2 LEU 52 9.559 -4.964 3.113 375 2HD2 LEU 52 2HD2 LEU 52 11.086 -5.055 2.203 376 3HD2 LEU 52 3HD2 LEU 52 11.068 -4.366 3.844 377 H GLN 53 H GLN 53 9.924 -4.723 -0.379 378 HA GLN 53 HA GLN 53 9.057 -7.361 -0.170 379 1HB GLN 53 1HB GLN 53 11.315 -5.889 -1.360 380 2HB GLN 53 2HB GLN 53 11.784 -7.481 -0.798 381 1HG GLN 53 1HG GLN 53 10.931 -8.256 -2.763 382 2HG GLN 53 2HG GLN 53 9.355 -8.017 -2.036 383 2HE2 GLN 53 2HE2 GLN 53 9.047 -5.349 -1.937 384 1HE2 GLN 53 1HE2 GLN 53 9.028 -4.641 -3.517 385 H GLU 54 H GLU 54 8.724 -7.321 2.273 386 HA GLU 54 HA GLU 54 10.597 -7.016 4.134 387 1HB GLU 54 1HB GLU 54 9.249 -8.324 5.559 388 2HB GLU 54 2HB GLU 54 8.123 -7.792 4.326 389 1HG GLU 54 1HG GLU 54 7.634 -10.074 4.382 390 2HG GLU 54 2HG GLU 54 8.827 -10.040 3.098 391 H ALA 55 H ALA 55 12.604 -7.835 4.546 392 HA ALA 55 HA ALA 55 13.191 -10.569 4.385 393 1HB ALA 55 1HB ALA 55 13.609 -10.796 2.183 394 2HB ALA 55 2HB ALA 55 15.019 -9.738 2.431 395 3HB ALA 55 3HB ALA 55 13.467 -9.044 1.906 396 H GLU 56 H GLU 56 14.696 -7.306 3.813 397 HA GLU 56 HA GLU 56 17.088 -7.715 4.907 398 1HB GLU 56 1HB GLU 56 15.387 -5.445 4.378 399 2HB GLU 56 2HB GLU 56 16.179 -5.181 5.919 400 1HG GLU 56 1HG GLU 56 17.983 -4.493 4.714 401 2HG GLU 56 2HG GLU 56 18.261 -6.188 4.366 402 H CYS 57 H CYS 57 17.776 -8.586 6.809 403 HA CYS 57 HA CYS 57 16.629 -7.664 9.257 404 1HB CYS 57 1HB CYS 57 15.277 -9.754 8.227 405 2HB CYS 57 2HB CYS 57 16.542 -10.625 9.070 406 H THR 58 H THR 58 18.825 -6.930 9.558 407 HA THR 58 HA THR 58 20.953 -7.085 10.182 408 HB THR 58 HB THR 58 20.088 -9.890 11.064 409 HG1 THR 58 HG1 THR 58 20.261 -7.288 12.409 410 1HG2 THR 58 1HG2 THR 58 22.623 -8.493 11.276 411 2HG2 THR 58 2HG2 THR 58 21.866 -8.549 12.886 412 3HG2 THR 58 3HG2 THR 58 22.168 -10.058 11.992 413 H PHE 59 H PHE 59 21.518 -6.866 7.899 414 HA PHE 59 HA PHE 59 22.501 -7.508 6.018 415 1HB PHE 59 1HB PHE 59 23.942 -8.467 8.385 416 2HB PHE 59 2HB PHE 59 24.216 -9.595 7.071 417 HD1 PHE 59 HD1 PHE 59 24.691 -8.280 4.722 418 HD2 PHE 59 HD2 PHE 59 25.524 -6.820 8.619 419 HE1 PHE 59 HE1 PHE 59 26.443 -6.752 3.776 420 HE2 PHE 59 HE2 PHE 59 27.276 -5.292 7.672 421 HZ PHE 59 HZ PHE 59 27.715 -5.277 5.262 No H/Q in entry = 421 Start of MODEL 51 1 H GLU 1 H GLU 1 13.478 -14.499 15.408 2 HA GLU 1 HA GLU 1 11.698 -15.626 14.731 3 1HB GLU 1 1HB GLU 1 12.098 -15.767 17.541 4 2HB GLU 1 2HB GLU 1 10.360 -15.736 17.319 5 1HG GLU 1 1HG GLU 1 10.795 -18.029 17.119 6 2HG GLU 1 2HG GLU 1 10.815 -17.537 15.437 7 H GLU 2 H GLU 2 10.460 -13.211 17.159 8 HA GLU 2 HA GLU 2 7.898 -13.121 16.513 9 1HB GLU 2 1HB GLU 2 9.870 -11.141 17.489 10 2HB GLU 2 2HB GLU 2 8.465 -10.406 16.742 11 1HG GLU 2 1HG GLU 2 7.665 -12.631 18.473 12 2HG GLU 2 2HG GLU 2 8.642 -11.481 19.363 13 H TYR 3 H TYR 3 6.533 -12.323 14.886 14 HA TYR 3 HA TYR 3 7.370 -10.540 12.895 15 1HB TYR 3 1HB TYR 3 8.720 -12.319 11.971 16 2HB TYR 3 2HB TYR 3 7.599 -13.557 12.501 17 HD1 TYR 3 HD1 TYR 3 7.715 -10.630 10.151 18 HD2 TYR 3 HD2 TYR 3 6.252 -14.579 10.907 19 HE1 TYR 3 HE1 TYR 3 6.684 -10.701 7.828 20 HE2 TYR 3 HE2 TYR 3 5.227 -14.636 8.581 21 HH TYR 3 HH TYR 3 4.371 -12.689 6.944 22 H VAL 4 H VAL 4 5.393 -9.525 12.986 23 HA VAL 4 HA VAL 4 3.228 -10.747 11.669 24 HB VAL 4 HB VAL 4 3.054 -11.961 13.790 25 1HG1 VAL 4 1HG1 VAL 4 3.891 -9.635 14.987 26 2HG1 VAL 4 2HG1 VAL 4 2.152 -9.643 15.370 27 3HG1 VAL 4 3HG1 VAL 4 3.173 -11.026 15.835 28 1HG2 VAL 4 1HG2 VAL 4 1.030 -11.399 12.470 29 2HG2 VAL 4 2HG2 VAL 4 0.699 -11.532 14.214 30 3HG2 VAL 4 3HG2 VAL 4 0.822 -9.929 13.451 31 H GLY 5 H GLY 5 4.572 -8.508 11.015 32 1HA GLY 5 1HA GLY 5 4.566 -6.135 11.452 33 2HA GLY 5 2HA GLY 5 2.933 -6.285 12.070 34 H LEU 6 H LEU 6 1.284 -5.777 10.693 35 HA LEU 6 HA LEU 6 1.912 -5.873 7.824 36 1HB LEU 6 1HB LEU 6 -0.574 -6.303 7.552 37 2HB LEU 6 2HB LEU 6 0.437 -7.631 8.086 38 HG LEU 6 HG LEU 6 -0.838 -6.026 10.236 39 1HD1 LEU 6 1HD1 LEU 6 -2.395 -7.296 8.078 40 2HD1 LEU 6 2HD1 LEU 6 -2.870 -7.766 9.728 41 3HD1 LEU 6 3HD1 LEU 6 -2.860 -6.049 9.260 42 1HD2 LEU 6 1HD2 LEU 6 0.523 -8.436 10.060 43 2HD2 LEU 6 2HD2 LEU 6 -0.412 -7.842 11.453 44 3HD2 LEU 6 3HD2 LEU 6 -1.178 -8.921 10.262 45 H SER 7 H SER 7 2.285 -3.707 9.858 46 HA SER 7 HA SER 7 0.769 -1.745 8.396 47 1HB SER 7 1HB SER 7 0.155 -0.572 10.578 48 2HB SER 7 2HB SER 7 -0.738 -2.039 10.231 49 HG SER 7 HG SER 7 0.393 -3.163 11.791 50 H ALA 8 H ALA 8 2.166 -0.110 7.830 51 HA ALA 8 HA ALA 8 3.808 1.392 8.008 52 1HB ALA 8 1HB ALA 8 4.365 2.090 10.078 53 2HB ALA 8 2HB ALA 8 5.085 0.516 10.494 54 3HB ALA 8 3HB ALA 8 3.335 0.774 10.692 55 H ASN 9 H ASN 9 5.319 -1.316 9.877 56 HA ASN 9 HA ASN 9 7.657 -1.343 8.598 57 1HB ASN 9 1HB ASN 9 6.002 -3.411 10.001 58 2HB ASN 9 2HB ASN 9 7.288 -4.056 8.999 59 2HD2 ASN 9 2HD2 ASN 9 6.677 -3.539 12.009 60 1HD2 ASN 9 1HD2 ASN 9 8.174 -2.942 12.645 61 H GLN 10 H GLN 10 4.509 -2.639 7.513 62 HA GLN 10 HA GLN 10 5.677 -4.066 5.333 63 1HB GLN 10 1HB GLN 10 3.392 -4.437 6.732 64 2HB GLN 10 2HB GLN 10 2.736 -3.472 5.426 65 1HG GLN 10 1HG GLN 10 4.121 -5.140 3.879 66 2HG GLN 10 2HG GLN 10 4.075 -6.183 5.287 67 2HE2 GLN 10 2HE2 GLN 10 2.749 -7.710 4.461 68 1HE2 GLN 10 1HE2 GLN 10 1.075 -7.469 4.085 69 H CYS 11 H CYS 11 4.084 -0.929 5.952 70 HA CYS 11 HA CYS 11 4.454 -0.299 3.115 71 1HB CYS 11 1HB CYS 11 2.692 1.390 4.812 72 2HB CYS 11 2HB CYS 11 2.585 1.005 3.106 73 H ALA 12 H ALA 12 6.728 -0.261 4.677 74 HA ALA 12 HA ALA 12 7.026 2.564 5.433 75 1HB ALA 12 1HB ALA 12 9.209 1.207 6.459 76 2HB ALA 12 2HB ALA 12 7.730 1.611 7.362 77 3HB ALA 12 3HB ALA 12 7.904 0.007 6.612 78 H VAL 13 H VAL 13 7.001 2.048 2.716 79 HA VAL 13 HA VAL 13 9.721 1.565 1.871 80 HB VAL 13 HB VAL 13 7.670 2.544 -0.023 81 1HG1 VAL 13 1HG1 VAL 13 9.968 0.678 0.047 82 2HG1 VAL 13 2HG1 VAL 13 8.608 0.178 -0.987 83 3HG1 VAL 13 3HG1 VAL 13 9.396 1.753 -1.251 84 1HG2 VAL 13 1HG2 VAL 13 7.298 0.067 1.649 85 2HG2 VAL 13 2HG2 VAL 13 6.103 1.291 1.157 86 3HG2 VAL 13 3HG2 VAL 13 6.716 0.118 -0.032 87 HA PRO 14 HA PRO 14 10.809 5.747 1.768 88 1HB PRO 14 1HB PRO 14 12.896 5.693 0.004 89 2HB PRO 14 2HB PRO 14 13.052 5.233 1.688 90 1HG PRO 14 1HG PRO 14 12.957 3.500 -0.705 91 2HG PRO 14 2HG PRO 14 13.528 3.116 0.906 92 1HD PRO 14 1HD PRO 14 11.027 2.334 -0.260 93 2HD PRO 14 2HD PRO 14 11.549 2.049 1.388 94 H ALA 15 H ALA 15 9.134 4.305 -0.586 95 HA ALA 15 HA ALA 15 7.713 5.318 -2.016 96 1HB ALA 15 1HB ALA 15 9.280 7.845 -2.281 97 2HB ALA 15 2HB ALA 15 7.523 7.597 -2.144 98 3HB ALA 15 3HB ALA 15 8.548 7.522 -0.691 99 H LYS 16 H LYS 16 11.168 5.067 -2.196 100 HA LYS 16 HA LYS 16 11.134 5.286 -5.103 101 1HB LYS 16 1HB LYS 16 13.584 5.175 -4.905 102 2HB LYS 16 2HB LYS 16 12.900 6.489 -3.968 103 1HG LYS 16 1HG LYS 16 14.581 5.358 -2.604 104 2HG LYS 16 2HG LYS 16 13.002 5.052 -1.907 105 1HD LYS 16 1HD LYS 16 12.972 2.803 -2.592 106 2HD LYS 16 2HD LYS 16 14.060 3.083 -3.937 107 1HE LYS 16 1HE LYS 16 15.719 3.747 -1.859 108 2HE LYS 16 2HE LYS 16 14.694 2.575 -1.054 109 1HZ LYS 16 1HZ LYS 16 15.166 1.049 -2.886 110 2HZ LYS 16 2HZ LYS 16 16.196 2.134 -3.540 111 3HZ LYS 16 3HZ LYS 16 16.519 1.480 -2.079 112 H ASP 17 H ASP 17 10.050 3.055 -3.073 113 HA ASP 17 HA ASP 17 11.136 0.914 -4.714 114 1HB ASP 17 1HB ASP 17 11.438 1.259 -1.866 115 2HB ASP 17 2HB ASP 17 10.359 -0.099 -2.118 116 H ARG 18 H ARG 18 8.586 2.716 -4.482 117 HA ARG 18 HA ARG 18 6.572 0.975 -3.560 118 1HB ARG 18 1HB ARG 18 6.214 3.373 -5.419 119 2HB ARG 18 2HB ARG 18 5.022 2.700 -4.325 120 1HG ARG 18 1HG ARG 18 7.650 4.003 -3.464 121 2HG ARG 18 2HG ARG 18 6.082 4.784 -3.421 122 1HD ARG 18 1HD ARG 18 5.353 2.709 -1.954 123 2HD ARG 18 2HD ARG 18 7.074 2.461 -1.734 124 HE ARG 18 HE ARG 18 7.045 4.230 -0.223 125 1HH1 ARG 18 1HH1 ARG 18 4.441 4.715 -2.539 126 2HH1 ARG 18 2HH1 ARG 18 3.864 6.162 -1.781 127 1HH2 ARG 18 1HH2 ARG 18 6.285 6.138 0.778 128 2HH2 ARG 18 2HH2 ARG 18 4.920 6.977 0.119 129 H VAL 19 H VAL 19 5.696 -0.745 -4.673 130 HA VAL 19 HA VAL 19 6.430 -1.123 -7.423 131 HB VAL 19 HB VAL 19 4.672 -2.752 -5.578 132 1HG1 VAL 19 1HG1 VAL 19 6.000 -3.432 -8.222 133 2HG1 VAL 19 2HG1 VAL 19 5.227 -4.616 -7.141 134 3HG1 VAL 19 3HG1 VAL 19 4.254 -3.326 -7.890 135 1HG2 VAL 19 1HG2 VAL 19 7.558 -2.366 -5.670 136 2HG2 VAL 19 2HG2 VAL 19 6.557 -3.213 -4.467 137 3HG2 VAL 19 3HG2 VAL 19 7.109 -4.069 -5.926 138 H ASP 20 H ASP 20 4.016 0.615 -5.781 139 HA ASP 20 HA ASP 20 2.137 1.525 -6.365 140 1HB ASP 20 1HB ASP 20 3.212 2.552 -8.222 141 2HB ASP 20 2HB ASP 20 3.385 1.035 -9.082 142 H CYS 21 H CYS 21 0.370 0.239 -5.760 143 HA CYS 21 HA CYS 21 -0.062 -2.303 -6.930 144 1HB CYS 21 1HB CYS 21 -0.884 -0.961 -4.619 145 2HB CYS 21 2HB CYS 21 -2.359 -1.205 -5.533 146 H GLY 22 H GLY 22 -0.590 0.899 -7.961 147 1HA GLY 22 1HA GLY 22 -1.861 0.256 -10.324 148 2HA GLY 22 2HA GLY 22 -1.822 1.844 -9.585 149 H TYR 23 H TYR 23 -3.547 2.492 -8.095 150 HA TYR 23 HA TYR 23 -6.049 1.214 -8.809 151 1HB TYR 23 1HB TYR 23 -4.713 0.421 -6.522 152 2HB TYR 23 2HB TYR 23 -5.513 1.846 -5.890 153 HD1 TYR 23 HD1 TYR 23 -6.830 -0.577 -8.413 154 HD2 TYR 23 HD2 TYR 23 -7.117 0.942 -4.423 155 HE1 TYR 23 HE1 TYR 23 -8.953 -1.927 -8.043 156 HE2 TYR 23 HE2 TYR 23 -9.238 -0.413 -4.067 157 HH TYR 23 HH TYR 23 -11.109 -1.355 -5.954 158 HA PRO 24 HA PRO 24 -7.290 5.355 -8.586 159 1HB PRO 24 1HB PRO 24 -10.007 5.066 -8.613 160 2HB PRO 24 2HB PRO 24 -9.021 4.986 -10.059 161 1HG PRO 24 1HG PRO 24 -10.315 2.781 -8.575 162 2HG PRO 24 2HG PRO 24 -9.700 2.788 -10.216 163 1HD PRO 24 1HD PRO 24 -8.449 1.610 -7.919 164 2HD PRO 24 2HD PRO 24 -7.781 1.719 -9.535 165 H HIS 25 H HIS 25 -9.914 3.923 -6.751 166 HA HIS 25 HA HIS 25 -9.707 5.937 -4.805 167 1HB HIS 25 1HB HIS 25 -11.671 5.128 -4.071 168 2HB HIS 25 2HB HIS 25 -11.650 4.240 -5.582 169 HD1 HIS 25 HD1 HIS 25 -12.241 3.695 -2.118 170 HD2 HIS 25 HD2 HIS 25 -10.214 1.545 -5.097 171 HE1 HIS 25 HE1 HIS 25 -12.079 1.290 -1.280 172 HE2 HIS 25 HE2 HIS 25 -10.874 0.006 -3.176 173 H VAL 26 H VAL 26 -7.733 6.084 -3.761 174 HA VAL 26 HA VAL 26 -6.976 3.692 -2.233 175 HB VAL 26 HB VAL 26 -4.619 4.496 -2.497 176 1HG1 VAL 26 1HG1 VAL 26 -6.265 3.478 -4.806 177 2HG1 VAL 26 2HG1 VAL 26 -4.515 3.748 -4.990 178 3HG1 VAL 26 3HG1 VAL 26 -5.115 2.606 -3.764 179 1HG2 VAL 26 1HG2 VAL 26 -5.876 6.286 -4.603 180 2HG2 VAL 26 2HG2 VAL 26 -5.005 6.800 -3.138 181 3HG2 VAL 26 3HG2 VAL 26 -4.132 5.967 -4.447 182 H THR 27 H THR 27 -7.014 4.016 -0.069 183 HA THR 27 HA THR 27 -6.470 6.714 0.921 184 HB THR 27 HB THR 27 -8.567 6.962 1.905 185 HG1 THR 27 HG1 THR 27 -9.150 5.228 3.150 186 1HG2 THR 27 1HG2 THR 27 -9.186 4.838 -0.217 187 2HG2 THR 27 2HG2 THR 27 -10.400 5.868 0.580 188 3HG2 THR 27 3HG2 THR 27 -9.173 6.598 -0.483 189 HA PRO 28 HA PRO 28 -4.517 4.684 4.169 190 1HB PRO 28 1HB PRO 28 -5.278 5.957 6.464 191 2HB PRO 28 2HB PRO 28 -4.099 6.617 5.348 192 1HG PRO 28 1HG PRO 28 -6.912 7.423 5.760 193 2HG PRO 28 2HG PRO 28 -5.617 8.314 4.985 194 1HD PRO 28 1HD PRO 28 -7.764 6.927 3.684 195 2HD PRO 28 2HD PRO 28 -6.406 7.719 2.909 196 H LYS 29 H LYS 29 -6.892 3.373 3.282 197 HA LYS 29 HA LYS 29 -7.020 1.413 5.245 198 1HB LYS 29 1HB LYS 29 -8.298 3.432 6.332 199 2HB LYS 29 2HB LYS 29 -9.601 2.955 5.262 200 1HG LYS 29 1HG LYS 29 -8.461 0.592 6.540 201 2HG LYS 29 2HG LYS 29 -8.888 1.776 7.759 202 1HD LYS 29 1HD LYS 29 -11.128 1.951 6.241 203 2HD LYS 29 2HD LYS 29 -10.666 0.314 5.822 204 1HE LYS 29 1HE LYS 29 -11.024 -0.498 7.975 205 2HE LYS 29 2HE LYS 29 -10.574 1.012 8.741 206 1HZ LYS 29 1HZ LYS 29 -12.672 1.930 7.861 207 2HZ LYS 29 2HZ LYS 29 -13.096 0.437 7.353 208 3HZ LYS 29 3HZ LYS 29 -12.890 0.729 8.946 209 H GLU 30 H GLU 30 -8.859 3.202 2.701 210 HA GLU 30 HA GLU 30 -10.168 0.902 1.791 211 1HB GLU 30 1HB GLU 30 -10.069 3.724 1.150 212 2HB GLU 30 2HB GLU 30 -9.944 2.806 -0.338 213 1HG GLU 30 1HG GLU 30 -12.262 2.904 -0.117 214 2HG GLU 30 2HG GLU 30 -11.943 1.388 0.701 215 H CYS 31 H CYS 31 -7.073 2.516 0.983 216 HA CYS 31 HA CYS 31 -6.614 0.947 -1.330 217 1HB CYS 31 1HB CYS 31 -5.439 2.894 -1.442 218 2HB CYS 31 2HB CYS 31 -5.093 2.931 0.275 219 H ASN 32 H ASN 32 -6.169 0.617 2.164 220 HA ASN 32 HA ASN 32 -4.382 -1.614 1.788 221 1HB ASN 32 1HB ASN 32 -3.810 -0.136 3.636 222 2HB ASN 32 2HB ASN 32 -5.454 -0.145 4.243 223 2HD2 ASN 32 2HD2 ASN 32 -2.527 -2.021 3.791 224 1HD2 ASN 32 1HD2 ASN 32 -2.824 -3.230 4.996 225 H ASN 33 H ASN 33 -7.640 -1.089 1.524 226 HA ASN 33 HA ASN 33 -8.483 -3.329 3.123 227 1HB ASN 33 1HB ASN 33 -9.881 -1.239 2.990 228 2HB ASN 33 2HB ASN 33 -10.063 -1.474 1.262 229 2HD2 ASN 33 2HD2 ASN 33 -11.720 -2.589 0.549 230 1HD2 ASN 33 1HD2 ASN 33 -12.745 -3.638 1.470 231 H ARG 34 H ARG 34 -8.105 -2.233 -0.292 232 HA ARG 34 HA ARG 34 -9.380 -4.378 -1.475 233 1HB ARG 34 1HB ARG 34 -8.359 -2.061 -2.409 234 2HB ARG 34 2HB ARG 34 -6.999 -3.088 -2.819 235 1HG ARG 34 1HG ARG 34 -9.892 -3.443 -3.723 236 2HG ARG 34 2HG ARG 34 -8.527 -3.000 -4.729 237 1HD ARG 34 1HD ARG 34 -7.468 -5.269 -3.977 238 2HD ARG 34 2HD ARG 34 -9.069 -5.684 -3.397 239 HE ARG 34 HE ARG 34 -9.635 -4.873 -5.939 240 1HH1 ARG 34 1HH1 ARG 34 -7.164 -7.047 -4.695 241 2HH1 ARG 34 2HH1 ARG 34 -7.100 -8.007 -6.136 242 1HH2 ARG 34 1HH2 ARG 34 -9.552 -6.138 -7.841 243 2HH2 ARG 34 2HH2 ARG 34 -8.468 -7.486 -7.937 244 H GLY 35 H GLY 35 -6.210 -4.019 0.023 245 1HA GLY 35 1HA GLY 35 -5.499 -6.745 -0.885 246 2HA GLY 35 2HA GLY 35 -5.168 -6.102 0.712 247 H CYS 36 H CYS 36 -3.810 -3.973 0.745 248 HA CYS 36 HA CYS 36 -1.390 -4.516 -0.517 249 1HB CYS 36 1HB CYS 36 -3.126 -3.294 -2.290 250 2HB CYS 36 2HB CYS 36 -2.198 -1.947 -1.660 251 H CYS 37 H CYS 37 -0.598 -1.622 -0.642 252 HA CYS 37 HA CYS 37 -1.028 -0.925 2.171 253 1HB CYS 37 1HB CYS 37 1.513 -1.203 0.639 254 2HB CYS 37 2HB CYS 37 1.398 0.121 1.781 255 H PHE 38 H PHE 38 -1.050 1.411 2.579 256 HA PHE 38 HA PHE 38 -1.467 2.956 0.116 257 1HB PHE 38 1HB PHE 38 -3.549 2.619 1.410 258 2HB PHE 38 2HB PHE 38 -2.732 2.992 2.915 259 HD1 PHE 38 HD1 PHE 38 -4.022 4.443 -0.219 260 HD2 PHE 38 HD2 PHE 38 -2.458 5.245 3.643 261 HE1 PHE 38 HE1 PHE 38 -4.715 6.845 -0.438 262 HE2 PHE 38 HE2 PHE 38 -3.151 7.648 3.424 263 HZ PHE 38 HZ PHE 38 -4.271 8.419 1.387 264 H ASP 39 H ASP 39 -1.303 5.466 0.691 265 HA ASP 39 HA ASP 39 0.378 6.197 2.775 266 1HB ASP 39 1HB ASP 39 2.217 5.155 1.659 267 2HB ASP 39 2HB ASP 39 1.663 5.667 0.077 268 H SER 40 H SER 40 0.625 8.564 2.774 269 HA SER 40 HA SER 40 -0.497 9.889 0.449 270 1HB SER 40 1HB SER 40 -1.900 11.334 1.880 271 2HB SER 40 2HB SER 40 -2.350 9.650 2.059 272 HG SER 40 HG SER 40 -2.048 11.046 4.079 273 H ARG 41 H ARG 41 2.179 9.423 2.109 274 HA ARG 41 HA ARG 41 2.891 11.831 3.216 275 1HB ARG 41 1HB ARG 41 4.081 9.402 3.024 276 2HB ARG 41 2HB ARG 41 4.977 10.213 1.755 277 1HG ARG 41 1HG ARG 41 5.918 11.801 3.241 278 2HG ARG 41 2HG ARG 41 4.656 11.582 4.438 279 1HD ARG 41 1HD ARG 41 5.521 9.358 5.034 280 2HD ARG 41 2HD ARG 41 6.681 9.408 3.721 281 HE ARG 41 HE ARG 41 7.241 11.700 5.210 282 1HH1 ARG 41 1HH1 ARG 41 7.075 8.254 5.902 283 2HH1 ARG 41 2HH1 ARG 41 8.254 8.322 7.169 284 1HH2 ARG 41 1HH2 ARG 41 8.796 11.790 6.882 285 2HH2 ARG 41 2HH2 ARG 41 9.239 10.347 7.731 286 H ILE 42 H ILE 42 3.483 10.513 -0.123 287 HA ILE 42 HA ILE 42 3.575 13.261 -1.087 288 HB ILE 42 HB ILE 42 5.550 12.087 -2.573 289 1HG1 ILE 42 1HG1 ILE 42 7.165 11.155 -0.933 290 2HG1 ILE 42 2HG1 ILE 42 5.918 11.180 0.298 291 1HG2 ILE 42 1HG2 ILE 42 5.355 14.394 -1.523 292 2HG2 ILE 42 2HG2 ILE 42 6.089 13.683 -0.066 293 3HG2 ILE 42 3HG2 ILE 42 6.986 13.685 -1.603 294 1HD1 ILE 42 1HD1 ILE 42 5.011 9.876 -2.190 295 2HD1 ILE 42 2HD1 ILE 42 6.420 9.073 -1.455 296 3HD1 ILE 42 3HD1 ILE 42 4.928 9.295 -0.510 297 HA PRO 43 HA PRO 43 1.063 11.347 -4.054 298 1HB PRO 43 1HB PRO 43 0.704 13.474 -5.732 299 2HB PRO 43 2HB PRO 43 -0.232 13.238 -4.270 300 1HG PRO 43 1HG PRO 43 1.969 15.146 -4.774 301 2HG PRO 43 2HG PRO 43 0.759 15.176 -3.507 302 1HD PRO 43 1HD PRO 43 3.502 14.381 -3.242 303 2HD PRO 43 2HD PRO 43 2.264 14.301 -2.005 304 H GLY 44 H GLY 44 3.919 13.093 -5.045 305 1HA GLY 44 1HA GLY 44 5.550 12.394 -6.461 306 2HA GLY 44 2HA GLY 44 4.241 12.463 -7.624 307 H VAL 45 H VAL 45 4.815 10.188 -4.852 308 HA VAL 45 HA VAL 45 5.359 8.052 -6.728 309 HB VAL 45 HB VAL 45 6.261 6.937 -4.967 310 1HG1 VAL 45 1HG1 VAL 45 7.033 9.493 -5.155 311 2HG1 VAL 45 2HG1 VAL 45 6.446 9.514 -3.474 312 3HG1 VAL 45 3HG1 VAL 45 7.723 8.372 -3.956 313 1HG2 VAL 45 1HG2 VAL 45 4.266 8.331 -3.156 314 2HG2 VAL 45 2HG2 VAL 45 4.275 6.621 -3.651 315 3HG2 VAL 45 3HG2 VAL 45 5.552 7.244 -2.579 316 HA PRO 46 HA PRO 46 1.451 6.215 -6.485 317 1HB PRO 46 1HB PRO 46 1.912 3.540 -6.173 318 2HB PRO 46 2HB PRO 46 2.080 4.369 -7.708 319 1HG PRO 46 1HG PRO 46 4.195 3.408 -5.879 320 2HG PRO 46 2HG PRO 46 4.322 3.842 -7.572 321 1HD PRO 46 1HD PRO 46 5.171 5.415 -5.329 322 2HD PRO 46 2HD PRO 46 5.191 5.896 -7.014 323 H TRP 47 H TRP 47 0.575 7.300 -4.702 324 HA TRP 47 HA TRP 47 0.930 6.947 -2.137 325 1HB TRP 47 1HB TRP 47 -1.540 7.265 -3.754 326 2HB TRP 47 2HB TRP 47 -1.752 6.838 -2.068 327 HD1 TRP 47 HD1 TRP 47 1.161 9.163 -3.027 328 HE1 TRP 47 HE1 TRP 47 0.795 11.601 -2.086 329 HE3 TRP 47 HE3 TRP 47 -3.604 8.395 -1.428 330 HZ2 TRP 47 HZ2 TRP 47 -1.398 12.905 -0.807 331 HZ3 TRP 47 HZ3 TRP 47 -4.787 10.303 -0.343 332 HH2 TRP 47 HH2 TRP 47 -3.760 12.497 -0.022 333 H CYS 48 H CYS 48 -1.165 4.688 -4.082 334 HA CYS 48 HA CYS 48 -1.017 2.776 -1.923 335 1HB CYS 48 1HB CYS 48 -3.111 3.359 -3.304 336 2HB CYS 48 2HB CYS 48 -2.402 2.373 -4.567 337 H PHE 49 H PHE 49 0.591 1.243 -1.869 338 HA PHE 49 HA PHE 49 1.615 0.264 -4.411 339 1HB PHE 49 1HB PHE 49 3.957 0.490 -3.279 340 2HB PHE 49 2HB PHE 49 3.226 1.987 -3.825 341 HD1 PHE 49 HD1 PHE 49 3.521 -0.151 -0.787 342 HD2 PHE 49 HD2 PHE 49 3.019 3.764 -2.345 343 HE1 PHE 49 HE1 PHE 49 3.733 0.797 1.527 344 HE2 PHE 49 HE2 PHE 49 3.231 4.712 -0.031 345 HZ PHE 49 HZ PHE 49 3.585 3.217 1.878 346 H LYS 50 H LYS 50 3.110 -1.702 -4.013 347 HA LYS 50 HA LYS 50 1.700 -3.488 -2.321 348 1HB LYS 50 1HB LYS 50 4.340 -3.962 -3.727 349 2HB LYS 50 2HB LYS 50 3.180 -5.163 -3.196 350 1HG LYS 50 1HG LYS 50 1.478 -4.169 -4.777 351 2HG LYS 50 2HG LYS 50 2.697 -3.047 -5.347 352 1HD LYS 50 1HD LYS 50 3.064 -4.685 -6.921 353 2HD LYS 50 2HD LYS 50 4.090 -5.358 -5.670 354 1HE LYS 50 1HE LYS 50 2.510 -7.001 -5.057 355 2HE LYS 50 2HE LYS 50 1.152 -6.077 -5.667 356 1HZ LYS 50 1HZ LYS 50 3.227 -7.218 -7.402 357 2HZ LYS 50 2HZ LYS 50 1.819 -7.971 -7.063 358 3HZ LYS 50 3HZ LYS 50 1.812 -6.551 -7.870 359 HA PRO 51 HA PRO 51 4.106 -3.314 1.259 360 1HB PRO 51 1HB PRO 51 4.281 -5.910 2.094 361 2HB PRO 51 2HB PRO 51 2.852 -4.923 2.327 362 1HG PRO 51 1HG PRO 51 3.301 -7.104 0.383 363 2HG PRO 51 2HG PRO 51 1.786 -6.406 0.918 364 1HD PRO 51 1HD PRO 51 3.113 -5.918 -1.578 365 2HD PRO 51 2HD PRO 51 1.659 -5.134 -0.993 366 H LEU 52 H LEU 52 6.148 -2.789 1.724 367 HA LEU 52 HA LEU 52 8.185 -3.168 0.066 368 1HB LEU 52 1HB LEU 52 8.563 -1.771 1.857 369 2HB LEU 52 2HB LEU 52 8.041 -2.951 3.042 370 HG LEU 52 HG LEU 52 10.593 -3.260 1.447 371 1HD1 LEU 52 1HD1 LEU 52 10.020 -1.588 3.837 372 2HD1 LEU 52 2HD1 LEU 52 11.517 -2.551 3.860 373 3HD1 LEU 52 3HD1 LEU 52 11.229 -1.384 2.547 374 1HD2 LEU 52 1HD2 LEU 52 9.173 -4.982 3.198 375 2HD2 LEU 52 2HD2 LEU 52 10.767 -5.230 2.446 376 3HD2 LEU 52 3HD2 LEU 52 10.648 -4.457 4.045 377 H GLN 53 H GLN 53 9.660 -4.731 -0.555 378 HA GLN 53 HA GLN 53 8.857 -7.362 -0.297 379 1HB GLN 53 1HB GLN 53 11.275 -7.794 -1.192 380 2HB GLN 53 2HB GLN 53 10.155 -6.898 -2.198 381 1HG GLN 53 1HG GLN 53 11.625 -5.144 -0.332 382 2HG GLN 53 2HG GLN 53 12.702 -6.039 -1.386 383 2HE2 GLN 53 2HE2 GLN 53 11.657 -3.171 -1.164 384 1HE2 GLN 53 1HE2 GLN 53 11.214 -2.731 -2.780 385 H GLU 54 H GLU 54 8.560 -7.680 2.030 386 HA GLU 54 HA GLU 54 10.350 -7.253 3.969 387 1HB GLU 54 1HB GLU 54 9.107 -8.752 5.274 388 2HB GLU 54 2HB GLU 54 7.968 -8.345 4.006 389 1HG GLU 54 1HG GLU 54 8.865 -10.418 2.733 390 2HG GLU 54 2HG GLU 54 9.673 -10.861 4.224 391 H ALA 55 H ALA 55 12.422 -7.881 4.401 392 HA ALA 55 HA ALA 55 13.264 -10.545 3.664 393 1HB ALA 55 1HB ALA 55 14.977 -9.923 2.178 394 2HB ALA 55 2HB ALA 55 14.911 -8.212 2.667 395 3HB ALA 55 3HB ALA 55 13.609 -8.904 1.670 396 H GLU 56 H GLU 56 14.072 -11.259 5.571 397 HA GLU 56 HA GLU 56 14.637 -9.802 7.724 398 1HB GLU 56 1HB GLU 56 15.734 -12.423 6.707 399 2HB GLU 56 2HB GLU 56 16.405 -11.750 8.180 400 1HG GLU 56 1HG GLU 56 14.657 -12.934 9.125 401 2HG GLU 56 2HG GLU 56 13.800 -11.440 8.800 402 H CYS 57 H CYS 57 16.342 -8.586 8.584 403 HA CYS 57 HA CYS 57 18.665 -8.299 6.822 404 1HB CYS 57 1HB CYS 57 16.797 -6.268 7.802 405 2HB CYS 57 2HB CYS 57 18.471 -5.887 8.154 406 H THR 58 H THR 58 20.270 -9.376 7.949 407 HA THR 58 HA THR 58 21.652 -9.945 9.594 408 HB THR 58 HB THR 58 20.654 -7.274 10.711 409 HG1 THR 58 HG1 THR 58 21.864 -6.939 8.835 410 1HG2 THR 58 1HG2 THR 58 22.235 -9.238 12.051 411 2HG2 THR 58 2HG2 THR 58 23.386 -8.042 11.407 412 3HG2 THR 58 3HG2 THR 58 22.071 -7.520 12.487 413 H PHE 59 H PHE 59 19.318 -8.353 11.813 414 HA PHE 59 HA PHE 59 18.681 -11.047 12.795 415 1HB PHE 59 1HB PHE 59 20.184 -9.557 14.252 416 2HB PHE 59 2HB PHE 59 18.906 -8.358 14.278 417 HD1 PHE 59 HD1 PHE 59 19.381 -11.988 15.032 418 HD2 PHE 59 HD2 PHE 59 17.499 -8.338 16.101 419 HE1 PHE 59 HE1 PHE 59 18.384 -13.095 17.052 420 HE2 PHE 59 HE2 PHE 59 16.501 -9.445 18.121 421 HZ PHE 59 HZ PHE 59 16.956 -11.810 18.573 No H/Q in entry = 421 Start of MODEL 52 1 H GLU 1 H GLU 1 11.784 -17.318 15.973 2 HA GLU 1 HA GLU 1 9.098 -17.531 16.783 3 1HB GLU 1 1HB GLU 1 10.676 -15.146 17.652 4 2HB GLU 1 2HB GLU 1 9.107 -14.803 16.951 5 1HG GLU 1 1HG GLU 1 9.185 -17.034 18.951 6 2HG GLU 1 2HG GLU 1 9.477 -15.428 19.588 7 H GLU 2 H GLU 2 7.743 -15.773 15.395 8 HA GLU 2 HA GLU 2 9.145 -15.483 12.856 9 1HB GLU 2 1HB GLU 2 6.359 -16.587 13.369 10 2HB GLU 2 2HB GLU 2 6.821 -15.956 11.801 11 1HG GLU 2 1HG GLU 2 8.285 -17.705 11.362 12 2HG GLU 2 2HG GLU 2 8.732 -17.903 13.045 13 H TYR 3 H TYR 3 8.237 -13.744 11.438 14 HA TYR 3 HA TYR 3 7.714 -11.418 12.957 15 1HB TYR 3 1HB TYR 3 7.902 -10.420 10.767 16 2HB TYR 3 2HB TYR 3 8.856 -11.882 10.605 17 HD1 TYR 3 HD1 TYR 3 7.877 -13.884 9.436 18 HD2 TYR 3 HD2 TYR 3 5.908 -10.086 9.484 19 HE1 TYR 3 HE1 TYR 3 6.431 -14.601 7.472 20 HE2 TYR 3 HE2 TYR 3 4.469 -10.815 7.519 21 HH TYR 3 HH TYR 3 4.005 -12.381 6.115 22 H VAL 4 H VAL 4 5.837 -9.883 12.285 23 HA VAL 4 HA VAL 4 3.442 -10.964 11.333 24 HB VAL 4 HB VAL 4 3.477 -12.283 13.366 25 1HG1 VAL 4 1HG1 VAL 4 4.873 -10.417 14.589 26 2HG1 VAL 4 2HG1 VAL 4 3.268 -9.830 15.086 27 3HG1 VAL 4 3HG1 VAL 4 3.783 -11.480 15.511 28 1HG2 VAL 4 1HG2 VAL 4 1.339 -11.193 12.424 29 2HG2 VAL 4 2HG2 VAL 4 1.278 -11.863 14.072 30 3HG2 VAL 4 3HG2 VAL 4 1.435 -10.106 13.831 31 H GLY 5 H GLY 5 4.794 -8.746 10.591 32 1HA GLY 5 1HA GLY 5 4.957 -6.404 11.074 33 2HA GLY 5 2HA GLY 5 3.467 -6.508 11.991 34 H LEU 6 H LEU 6 1.548 -6.036 10.976 35 HA LEU 6 HA LEU 6 1.674 -5.833 8.049 36 1HB LEU 6 1HB LEU 6 -0.755 -6.469 8.080 37 2HB LEU 6 2HB LEU 6 0.399 -7.749 8.397 38 HG LEU 6 HG LEU 6 -0.558 -6.455 10.848 39 1HD1 LEU 6 1HD1 LEU 6 -2.510 -7.114 8.795 40 2HD1 LEU 6 2HD1 LEU 6 -2.756 -8.063 10.281 41 3HD1 LEU 6 3HD1 LEU 6 -2.721 -6.284 10.356 42 1HD2 LEU 6 1HD2 LEU 6 0.136 -9.131 9.831 43 2HD2 LEU 6 2HD2 LEU 6 0.397 -8.398 11.432 44 3HD2 LEU 6 3HD2 LEU 6 -1.185 -9.104 11.024 45 H SER 7 H SER 7 2.471 -3.615 9.005 46 HA SER 7 HA SER 7 0.643 -1.745 8.380 47 1HB SER 7 1HB SER 7 0.244 -0.795 10.813 48 2HB SER 7 2HB SER 7 -0.818 -2.032 10.170 49 HG SER 7 HG SER 7 -0.123 -3.436 11.641 50 H ALA 8 H ALA 8 2.081 -0.191 7.729 51 HA ALA 8 HA ALA 8 3.637 1.410 7.958 52 1HB ALA 8 1HB ALA 8 4.451 2.022 10.015 53 2HB ALA 8 2HB ALA 8 4.795 0.345 10.500 54 3HB ALA 8 3HB ALA 8 3.129 0.968 10.568 55 H ASN 9 H ASN 9 4.895 -1.652 9.477 56 HA ASN 9 HA ASN 9 7.378 -1.502 8.370 57 1HB ASN 9 1HB ASN 9 5.648 -3.625 9.541 58 2HB ASN 9 2HB ASN 9 6.859 -4.249 8.440 59 2HD2 ASN 9 2HD2 ASN 9 7.975 -5.250 10.094 60 1HD2 ASN 9 1HD2 ASN 9 8.963 -4.395 11.230 61 H GLN 10 H GLN 10 4.472 -3.397 7.232 62 HA GLN 10 HA GLN 10 5.672 -4.264 4.885 63 1HB GLN 10 1HB GLN 10 3.236 -4.681 4.176 64 2HB GLN 10 2HB GLN 10 3.766 -5.465 5.651 65 1HG GLN 10 1HG GLN 10 2.652 -3.829 7.042 66 2HG GLN 10 2HG GLN 10 2.393 -2.746 5.689 67 2HE2 GLN 10 2HE2 GLN 10 1.445 -4.269 3.718 68 1HE2 GLN 10 1HE2 GLN 10 -0.062 -5.018 4.129 69 H CYS 11 H CYS 11 4.118 -1.229 5.804 70 HA CYS 11 HA CYS 11 4.313 -0.371 3.008 71 1HB CYS 11 1HB CYS 11 2.620 1.083 5.001 72 2HB CYS 11 2HB CYS 11 2.488 1.022 3.254 73 H ALA 12 H ALA 12 6.666 -0.460 4.444 74 HA ALA 12 HA ALA 12 7.027 2.327 5.311 75 1HB ALA 12 1HB ALA 12 9.149 0.867 6.352 76 2HB ALA 12 2HB ALA 12 7.691 1.364 7.245 77 3HB ALA 12 3HB ALA 12 7.775 -0.254 6.507 78 H VAL 13 H VAL 13 7.042 2.012 2.633 79 HA VAL 13 HA VAL 13 9.762 1.389 1.816 80 HB VAL 13 HB VAL 13 7.813 2.414 -0.143 81 1HG1 VAL 13 1HG1 VAL 13 10.031 0.496 0.036 82 2HG1 VAL 13 2HG1 VAL 13 8.661 -0.089 -0.939 83 3HG1 VAL 13 3HG1 VAL 13 9.449 1.454 -1.347 84 1HG2 VAL 13 1HG2 VAL 13 7.222 0.007 1.570 85 2HG2 VAL 13 2HG2 VAL 13 6.128 1.292 1.006 86 3HG2 VAL 13 3HG2 VAL 13 6.705 0.053 -0.133 87 HA PRO 14 HA PRO 14 10.935 5.546 1.695 88 1HB PRO 14 1HB PRO 14 12.960 5.483 -0.139 89 2HB PRO 14 2HB PRO 14 13.163 4.989 1.530 90 1HG PRO 14 1HG PRO 14 12.952 3.303 -0.889 91 2HG PRO 14 2HG PRO 14 13.569 2.877 0.695 92 1HD PRO 14 1HD PRO 14 11.015 2.167 -0.400 93 2HD PRO 14 2HD PRO 14 11.586 1.842 1.224 94 H ALA 15 H ALA 15 9.128 4.197 -0.600 95 HA ALA 15 HA ALA 15 7.699 5.239 -1.987 96 1HB ALA 15 1HB ALA 15 8.709 7.422 -0.636 97 2HB ALA 15 2HB ALA 15 7.458 7.491 -1.901 98 3HB ALA 15 3HB ALA 15 9.163 7.783 -2.319 99 H LYS 16 H LYS 16 11.219 5.339 -2.291 100 HA LYS 16 HA LYS 16 11.063 5.510 -5.178 101 1HB LYS 16 1HB LYS 16 13.492 5.569 -5.087 102 2HB LYS 16 2HB LYS 16 12.807 6.750 -3.990 103 1HG LYS 16 1HG LYS 16 14.318 5.802 -2.525 104 2HG LYS 16 2HG LYS 16 12.993 4.689 -2.250 105 1HD LYS 16 1HD LYS 16 15.028 3.394 -2.638 106 2HD LYS 16 2HD LYS 16 13.944 3.148 -3.992 107 1HE LYS 16 1HE LYS 16 15.482 3.972 -5.444 108 2HE LYS 16 2HE LYS 16 15.595 5.470 -4.542 109 1HZ LYS 16 1HZ LYS 16 16.952 3.821 -2.979 110 2HZ LYS 16 2HZ LYS 16 17.286 3.159 -4.434 111 3HZ LYS 16 3HZ LYS 16 17.643 4.727 -4.148 112 H ASP 17 H ASP 17 10.231 3.176 -3.084 113 HA ASP 17 HA ASP 17 11.330 1.124 -4.835 114 1HB ASP 17 1HB ASP 17 11.766 1.434 -2.028 115 2HB ASP 17 2HB ASP 17 10.644 0.098 -2.191 116 H ARG 18 H ARG 18 8.718 2.776 -4.605 117 HA ARG 18 HA ARG 18 6.797 0.955 -3.624 118 1HB ARG 18 1HB ARG 18 6.263 3.297 -5.505 119 2HB ARG 18 2HB ARG 18 5.166 2.607 -4.325 120 1HG ARG 18 1HG ARG 18 7.807 3.730 -3.367 121 2HG ARG 18 2HG ARG 18 6.523 4.846 -3.790 122 1HD ARG 18 1HD ARG 18 5.200 2.918 -2.233 123 2HD ARG 18 2HD ARG 18 6.757 3.064 -1.443 124 HE ARG 18 HE ARG 18 5.384 5.603 -2.126 125 1HH1 ARG 18 1HH1 ARG 18 6.191 3.221 0.335 126 2HH1 ARG 18 2HH1 ARG 18 5.843 4.282 1.659 127 1HH2 ARG 18 1HH2 ARG 18 4.925 7.004 -0.379 128 2HH2 ARG 18 2HH2 ARG 18 5.118 6.448 1.250 129 H VAL 19 H VAL 19 5.645 -0.621 -4.757 130 HA VAL 19 HA VAL 19 6.491 -1.094 -7.486 131 HB VAL 19 HB VAL 19 4.589 -2.734 -5.820 132 1HG1 VAL 19 1HG1 VAL 19 6.007 -3.052 -8.381 133 2HG1 VAL 19 2HG1 VAL 19 6.166 -4.444 -7.282 134 3HG1 VAL 19 3HG1 VAL 19 4.552 -3.869 -7.762 135 1HG2 VAL 19 1HG2 VAL 19 6.635 -2.266 -4.494 136 2HG2 VAL 19 2HG2 VAL 19 6.476 -3.983 -4.936 137 3HG2 VAL 19 3HG2 VAL 19 7.619 -2.940 -5.816 138 H ASP 20 H ASP 20 4.134 0.744 -5.915 139 HA ASP 20 HA ASP 20 2.267 1.669 -6.515 140 1HB ASP 20 1HB ASP 20 3.373 2.603 -8.410 141 2HB ASP 20 2HB ASP 20 3.481 1.056 -9.226 142 H CYS 21 H CYS 21 0.484 0.432 -5.853 143 HA CYS 21 HA CYS 21 -0.013 -2.134 -6.927 144 1HB CYS 21 1HB CYS 21 -0.768 -0.742 -4.661 145 2HB CYS 21 2HB CYS 21 -2.263 -0.843 -5.570 146 H GLY 22 H GLY 22 -0.512 1.064 -8.049 147 1HA GLY 22 1HA GLY 22 -1.743 0.363 -10.419 148 2HA GLY 22 2HA GLY 22 -1.718 1.967 -9.715 149 H TYR 23 H TYR 23 -3.397 2.457 -7.978 150 HA TYR 23 HA TYR 23 -5.922 1.260 -8.817 151 1HB TYR 23 1HB TYR 23 -4.581 0.420 -6.543 152 2HB TYR 23 2HB TYR 23 -5.406 1.817 -5.882 153 HD1 TYR 23 HD1 TYR 23 -6.498 -0.791 -8.355 154 HD2 TYR 23 HD2 TYR 23 -7.179 1.088 -4.572 155 HE1 TYR 23 HE1 TYR 23 -8.605 -2.178 -8.038 156 HE2 TYR 23 HE2 TYR 23 -9.284 -0.305 -4.268 157 HH TYR 23 HH TYR 23 -10.946 -1.436 -5.918 158 HA PRO 24 HA PRO 24 -7.126 5.410 -8.508 159 1HB PRO 24 1HB PRO 24 -9.841 5.135 -8.665 160 2HB PRO 24 2HB PRO 24 -8.793 5.110 -10.069 161 1HG PRO 24 1HG PRO 24 -10.157 2.853 -8.734 162 2HG PRO 24 2HG PRO 24 -9.471 2.923 -10.345 163 1HD PRO 24 1HD PRO 24 -8.325 1.647 -8.046 164 2HD PRO 24 2HD PRO 24 -7.587 1.818 -9.626 165 H HIS 25 H HIS 25 -9.828 3.911 -6.846 166 HA HIS 25 HA HIS 25 -9.738 5.845 -4.826 167 1HB HIS 25 1HB HIS 25 -11.719 4.983 -4.250 168 2HB HIS 25 2HB HIS 25 -11.572 4.048 -5.724 169 HD1 HIS 25 HD1 HIS 25 -12.148 3.646 -2.183 170 HD2 HIS 25 HD2 HIS 25 -10.257 1.380 -5.163 171 HE1 HIS 25 HE1 HIS 25 -11.993 1.265 -1.280 172 HE2 HIS 25 HE2 HIS 25 -10.872 -0.092 -3.176 173 H VAL 26 H VAL 26 -7.777 6.010 -3.742 174 HA VAL 26 HA VAL 26 -7.034 3.614 -2.216 175 HB VAL 26 HB VAL 26 -4.676 4.411 -2.428 176 1HG1 VAL 26 1HG1 VAL 26 -6.320 3.333 -4.677 177 2HG1 VAL 26 2HG1 VAL 26 -4.636 3.789 -5.026 178 3HG1 VAL 26 3HG1 VAL 26 -4.989 2.582 -3.766 179 1HG2 VAL 26 1HG2 VAL 26 -5.911 6.275 -4.479 180 2HG2 VAL 26 2HG2 VAL 26 -4.978 6.715 -3.028 181 3HG2 VAL 26 3HG2 VAL 26 -4.173 5.901 -4.391 182 H THR 27 H THR 27 -7.050 3.928 -0.045 183 HA THR 27 HA THR 27 -6.586 6.636 0.952 184 HB THR 27 HB THR 27 -8.689 6.818 1.953 185 HG1 THR 27 HG1 THR 27 -9.395 5.018 3.058 186 1HG2 THR 27 1HG2 THR 27 -9.329 4.711 -0.178 187 2HG2 THR 27 2HG2 THR 27 -10.485 5.847 0.557 188 3HG2 THR 27 3HG2 THR 27 -9.190 6.456 -0.501 189 HA PRO 28 HA PRO 28 -4.561 4.639 4.171 190 1HB PRO 28 1HB PRO 28 -5.248 5.992 6.444 191 2HB PRO 28 2HB PRO 28 -4.081 6.597 5.284 192 1HG PRO 28 1HG PRO 28 -6.870 7.468 5.734 193 2HG PRO 28 2HG PRO 28 -5.577 8.311 4.905 194 1HD PRO 28 1HD PRO 28 -7.778 6.927 3.692 195 2HD PRO 28 2HD PRO 28 -6.423 7.671 2.865 196 H LYS 29 H LYS 29 -6.867 3.259 3.365 197 HA LYS 29 HA LYS 29 -7.030 1.430 5.448 198 1HB LYS 29 1HB LYS 29 -8.362 3.502 6.361 199 2HB LYS 29 2HB LYS 29 -9.629 2.933 5.292 200 1HG LYS 29 1HG LYS 29 -8.689 0.598 6.600 201 2HG LYS 29 2HG LYS 29 -8.732 1.823 7.853 202 1HD LYS 29 1HD LYS 29 -11.134 2.216 6.413 203 2HD LYS 29 2HD LYS 29 -10.962 0.474 6.495 204 1HE LYS 29 1HE LYS 29 -10.279 1.230 9.084 205 2HE LYS 29 2HE LYS 29 -11.497 2.422 8.675 206 1HZ LYS 29 1HZ LYS 29 -11.970 -0.405 8.119 207 2HZ LYS 29 2HZ LYS 29 -12.233 0.197 9.614 208 3HZ LYS 29 3HZ LYS 29 -13.061 0.791 8.338 209 H GLU 30 H GLU 30 -8.860 3.024 2.766 210 HA GLU 30 HA GLU 30 -10.055 0.612 1.965 211 1HB GLU 30 1HB GLU 30 -10.074 3.414 1.166 212 2HB GLU 30 2HB GLU 30 -9.979 2.391 -0.253 213 1HG GLU 30 1HG GLU 30 -12.316 2.614 0.167 214 2HG GLU 30 2HG GLU 30 -11.914 1.016 0.765 215 H CYS 31 H CYS 31 -7.099 2.423 1.010 216 HA CYS 31 HA CYS 31 -6.529 0.780 -1.208 217 1HB CYS 31 1HB CYS 31 -5.495 2.815 -1.361 218 2HB CYS 31 2HB CYS 31 -5.092 2.879 0.344 219 H ASN 32 H ASN 32 -6.037 0.618 2.298 220 HA ASN 32 HA ASN 32 -4.130 -1.521 1.997 221 1HB ASN 32 1HB ASN 32 -3.420 -0.748 4.025 222 2HB ASN 32 2HB ASN 32 -4.696 0.452 4.000 223 2HD2 ASN 32 2HD2 ASN 32 -6.911 -0.379 4.584 224 1HD2 ASN 32 1HD2 ASN 32 -7.036 -1.455 5.936 225 H ASN 33 H ASN 33 -7.443 -1.157 1.802 226 HA ASN 33 HA ASN 33 -8.080 -3.478 3.396 227 1HB ASN 33 1HB ASN 33 -9.634 -1.574 3.547 228 2HB ASN 33 2HB ASN 33 -9.794 -1.504 1.803 229 2HD2 ASN 33 2HD2 ASN 33 -11.982 -1.788 1.803 230 1HD2 ASN 33 1HD2 ASN 33 -12.770 -3.282 2.188 231 H ARG 34 H ARG 34 -8.055 -2.212 0.012 232 HA ARG 34 HA ARG 34 -9.299 -4.342 -1.188 233 1HB ARG 34 1HB ARG 34 -8.490 -1.997 -2.118 234 2HB ARG 34 2HB ARG 34 -7.013 -2.847 -2.523 235 1HG ARG 34 1HG ARG 34 -9.748 -3.887 -3.372 236 2HG ARG 34 2HG ARG 34 -8.853 -2.738 -4.347 237 1HD ARG 34 1HD ARG 34 -6.962 -4.752 -3.694 238 2HD ARG 34 2HD ARG 34 -8.438 -5.626 -4.051 239 HE ARG 34 HE ARG 34 -7.791 -3.514 -5.995 240 1HH1 ARG 34 1HH1 ARG 34 -7.422 -6.910 -5.148 241 2HH1 ARG 34 2HH1 ARG 34 -7.068 -7.408 -6.769 242 1HH2 ARG 34 1HH2 ARG 34 -7.324 -4.171 -8.134 243 2HH2 ARG 34 2HH2 ARG 34 -7.012 -5.839 -8.479 244 H GLY 35 H GLY 35 -6.098 -4.022 0.212 245 1HA GLY 35 1HA GLY 35 -5.379 -6.681 -0.864 246 2HA GLY 35 2HA GLY 35 -4.964 -6.087 0.731 247 H CYS 36 H CYS 36 -3.600 -3.990 0.793 248 HA CYS 36 HA CYS 36 -1.260 -4.431 -0.615 249 1HB CYS 36 1HB CYS 36 -3.089 -3.237 -2.297 250 2HB CYS 36 2HB CYS 36 -2.194 -1.863 -1.679 251 H CYS 37 H CYS 37 -0.561 -1.500 -0.740 252 HA CYS 37 HA CYS 37 -0.868 -0.851 2.099 253 1HB CYS 37 1HB CYS 37 1.625 -0.982 0.445 254 2HB CYS 37 2HB CYS 37 1.509 0.210 1.724 255 H PHE 38 H PHE 38 -0.998 1.454 2.533 256 HA PHE 38 HA PHE 38 -1.480 3.031 0.103 257 1HB PHE 38 1HB PHE 38 -3.518 2.607 1.459 258 2HB PHE 38 2HB PHE 38 -2.673 3.027 2.935 259 HD1 PHE 38 HD1 PHE 38 -4.041 4.410 -0.205 260 HD2 PHE 38 HD2 PHE 38 -2.520 5.280 3.660 261 HE1 PHE 38 HE1 PHE 38 -4.826 6.784 -0.430 262 HE2 PHE 38 HE2 PHE 38 -3.305 7.653 3.434 263 HZ PHE 38 HZ PHE 38 -4.448 8.377 1.392 264 H ASP 39 H ASP 39 -1.370 5.539 0.725 265 HA ASP 39 HA ASP 39 0.275 6.334 2.778 266 1HB ASP 39 1HB ASP 39 2.133 5.209 1.732 267 2HB ASP 39 2HB ASP 39 1.671 5.765 0.136 268 H SER 40 H SER 40 0.420 8.685 2.746 269 HA SER 40 HA SER 40 -0.546 9.932 0.308 270 1HB SER 40 1HB SER 40 -2.079 11.371 1.571 271 2HB SER 40 2HB SER 40 -2.481 9.688 1.847 272 HG SER 40 HG SER 40 -0.621 10.647 3.692 273 H ARG 41 H ARG 41 2.070 9.551 1.985 274 HA ARG 41 HA ARG 41 2.672 12.006 3.115 275 1HB ARG 41 1HB ARG 41 3.895 9.592 3.097 276 2HB ARG 41 2HB ARG 41 4.848 10.348 1.836 277 1HG ARG 41 1HG ARG 41 4.429 12.033 4.263 278 2HG ARG 41 2HG ARG 41 5.372 10.580 4.533 279 1HD ARG 41 1HD ARG 41 6.913 11.215 2.678 280 2HD ARG 41 2HD ARG 41 5.955 12.646 2.354 281 HE ARG 41 HE ARG 41 6.856 13.683 4.272 282 1HH1 ARG 41 1HH1 ARG 41 7.705 10.269 4.233 283 2HH1 ARG 41 2HH1 ARG 41 8.849 10.407 5.526 284 1HH2 ARG 41 1HH2 ARG 41 8.366 13.866 5.978 285 2HH2 ARG 41 2HH2 ARG 41 9.227 12.467 6.525 286 H ILE 42 H ILE 42 3.320 10.597 -0.164 287 HA ILE 42 HA ILE 42 3.550 13.315 -1.183 288 HB ILE 42 HB ILE 42 5.505 12.033 -2.603 289 1HG1 ILE 42 1HG1 ILE 42 7.049 11.075 -0.906 290 2HG1 ILE 42 2HG1 ILE 42 5.773 11.167 0.291 291 1HG2 ILE 42 1HG2 ILE 42 5.504 14.350 -1.767 292 2HG2 ILE 42 2HG2 ILE 42 5.877 13.750 -0.133 293 3HG2 ILE 42 3HG2 ILE 42 7.046 13.517 -1.455 294 1HD1 ILE 42 1HD1 ILE 42 4.898 9.850 -2.207 295 2HD1 ILE 42 2HD1 ILE 42 6.240 9.008 -1.395 296 3HD1 ILE 42 3HD1 ILE 42 4.721 9.315 -0.519 297 HA PRO 43 HA PRO 43 1.015 11.427 -4.149 298 1HB PRO 43 1HB PRO 43 0.738 13.540 -5.860 299 2HB PRO 43 2HB PRO 43 -0.224 13.350 -4.408 300 1HG PRO 43 1HG PRO 43 2.035 15.190 -4.906 301 2HG PRO 43 2HG PRO 43 0.809 15.270 -3.656 302 1HD PRO 43 1HD PRO 43 3.526 14.403 -3.343 303 2HD PRO 43 2HD PRO 43 2.269 14.374 -2.122 304 H GLY 44 H GLY 44 3.894 13.132 -5.174 305 1HA GLY 44 1HA GLY 44 5.526 12.393 -6.567 306 2HA GLY 44 2HA GLY 44 4.215 12.402 -7.729 307 H VAL 45 H VAL 45 4.759 10.248 -4.862 308 HA VAL 45 HA VAL 45 5.362 8.041 -6.637 309 HB VAL 45 HB VAL 45 6.250 7.020 -4.821 310 1HG1 VAL 45 1HG1 VAL 45 7.200 9.370 -5.074 311 2HG1 VAL 45 2HG1 VAL 45 6.226 9.813 -3.652 312 3HG1 VAL 45 3HG1 VAL 45 7.487 8.565 -3.512 313 1HG2 VAL 45 1HG2 VAL 45 4.061 8.334 -3.202 314 2HG2 VAL 45 2HG2 VAL 45 4.345 6.602 -3.500 315 3HG2 VAL 45 3HG2 VAL 45 5.440 7.514 -2.432 316 HA PRO 46 HA PRO 46 1.455 6.199 -6.421 317 1HB PRO 46 1HB PRO 46 1.927 3.535 -6.033 318 2HB PRO 46 2HB PRO 46 2.116 4.326 -7.585 319 1HG PRO 46 1HG PRO 46 4.205 3.426 -5.697 320 2HG PRO 46 2HG PRO 46 4.358 3.817 -7.398 321 1HD PRO 46 1HD PRO 46 5.159 5.453 -5.182 322 2HD PRO 46 2HD PRO 46 5.205 5.891 -6.878 323 H TRP 47 H TRP 47 0.479 7.282 -4.710 324 HA TRP 47 HA TRP 47 0.819 6.993 -2.115 325 1HB TRP 47 1HB TRP 47 -1.620 7.300 -3.784 326 2HB TRP 47 2HB TRP 47 -1.861 6.916 -2.092 327 HD1 TRP 47 HD1 TRP 47 1.062 9.210 -3.128 328 HE1 TRP 47 HE1 TRP 47 0.714 11.666 -2.227 329 HE3 TRP 47 HE3 TRP 47 -3.674 8.477 -1.427 330 HZ2 TRP 47 HZ2 TRP 47 -1.454 12.996 -0.933 331 HZ3 TRP 47 HZ3 TRP 47 -4.835 10.406 -0.357 332 HH2 TRP 47 HH2 TRP 47 -3.802 12.606 -0.098 333 H CYS 48 H CYS 48 -1.136 4.683 -4.136 334 HA CYS 48 HA CYS 48 -1.063 2.808 -1.921 335 1HB CYS 48 1HB CYS 48 -3.168 3.385 -3.261 336 2HB CYS 48 2HB CYS 48 -2.475 2.433 -4.558 337 H PHE 49 H PHE 49 0.760 1.533 -1.847 338 HA PHE 49 HA PHE 49 1.725 0.489 -4.411 339 1HB PHE 49 1HB PHE 49 4.027 0.629 -3.165 340 2HB PHE 49 2HB PHE 49 3.348 2.148 -3.715 341 HD1 PHE 49 HD1 PHE 49 3.428 -0.055 -0.707 342 HD2 PHE 49 HD2 PHE 49 3.137 3.902 -2.214 343 HE1 PHE 49 HE1 PHE 49 3.547 0.845 1.633 344 HE2 PHE 49 HE2 PHE 49 3.256 4.802 0.126 345 HZ PHE 49 HZ PHE 49 3.459 3.263 2.022 346 H LYS 50 H LYS 50 3.232 -1.493 -4.009 347 HA LYS 50 HA LYS 50 1.727 -3.347 -2.478 348 1HB LYS 50 1HB LYS 50 4.320 -3.553 -4.029 349 2HB LYS 50 2HB LYS 50 3.588 -4.913 -3.203 350 1HG LYS 50 1HG LYS 50 1.409 -3.950 -4.578 351 2HG LYS 50 2HG LYS 50 2.695 -3.489 -5.674 352 1HD LYS 50 1HD LYS 50 3.355 -6.127 -4.897 353 2HD LYS 50 2HD LYS 50 1.615 -6.159 -5.099 354 1HE LYS 50 1HE LYS 50 2.552 -4.658 -7.310 355 2HE LYS 50 2HE LYS 50 3.714 -5.959 -7.142 356 1HZ LYS 50 1HZ LYS 50 1.694 -7.436 -6.964 357 2HZ LYS 50 2HZ LYS 50 0.824 -6.175 -7.531 358 3HZ LYS 50 3HZ LYS 50 2.022 -6.815 -8.438 359 HA PRO 51 HA PRO 51 3.913 -3.282 1.243 360 1HB PRO 51 1HB PRO 51 3.921 -5.895 2.044 361 2HB PRO 51 2HB PRO 51 2.527 -4.846 2.211 362 1HG PRO 51 1HG PRO 51 2.988 -7.018 0.260 363 2HG PRO 51 2HG PRO 51 1.478 -6.258 0.720 364 1HD PRO 51 1HD PRO 51 2.967 -5.798 -1.688 365 2HD PRO 51 2HD PRO 51 1.519 -4.955 -1.174 366 H LEU 52 H LEU 52 5.952 -2.698 1.587 367 HA LEU 52 HA LEU 52 8.032 -3.304 0.072 368 1HB LEU 52 1HB LEU 52 8.176 -1.739 1.864 369 2HB LEU 52 2HB LEU 52 7.944 -2.990 3.070 370 HG LEU 52 HG LEU 52 10.354 -2.803 1.242 371 1HD1 LEU 52 1HD1 LEU 52 9.941 -0.928 3.006 372 2HD1 LEU 52 2HD1 LEU 52 10.428 -2.176 4.178 373 3HD1 LEU 52 3HD1 LEU 52 11.544 -1.691 2.879 374 1HD2 LEU 52 1HD2 LEU 52 9.411 -4.809 3.170 375 2HD2 LEU 52 2HD2 LEU 52 10.596 -4.944 1.849 376 3HD2 LEU 52 3HD2 LEU 52 11.093 -4.284 3.426 377 H GLN 53 H GLN 53 9.432 -4.974 -0.384 378 HA GLN 53 HA GLN 53 8.548 -7.539 0.136 379 1HB GLN 53 1HB GLN 53 10.924 -8.155 -0.711 380 2HB GLN 53 2HB GLN 53 9.873 -7.268 -1.798 381 1HG GLN 53 1HG GLN 53 11.455 -5.493 -0.035 382 2HG GLN 53 2HG GLN 53 12.460 -6.513 -1.045 383 2HE2 GLN 53 2HE2 GLN 53 11.690 -3.582 -1.003 384 1HE2 GLN 53 1HE2 GLN 53 11.228 -3.204 -2.629 385 H GLU 54 H GLU 54 8.229 -7.616 2.478 386 HA GLU 54 HA GLU 54 10.147 -7.075 4.328 387 1HB GLU 54 1HB GLU 54 8.830 -8.390 5.865 388 2HB GLU 54 2HB GLU 54 7.716 -7.631 4.745 389 1HG GLU 54 1HG GLU 54 6.877 -9.753 4.518 390 2HG GLU 54 2HG GLU 54 8.202 -9.957 3.389 391 H ALA 55 H ALA 55 12.243 -7.791 4.278 392 HA ALA 55 HA ALA 55 12.613 -10.688 3.976 393 1HB ALA 55 1HB ALA 55 14.458 -10.363 2.530 394 2HB ALA 55 2HB ALA 55 14.563 -8.627 2.910 395 3HB ALA 55 3HB ALA 55 13.218 -9.242 1.919 396 H GLU 56 H GLU 56 13.641 -11.575 5.700 397 HA GLU 56 HA GLU 56 14.282 -10.076 7.897 398 1HB GLU 56 1HB GLU 56 15.353 -12.134 8.755 399 2HB GLU 56 2HB GLU 56 13.828 -12.498 7.970 400 1HG GLU 56 1HG GLU 56 14.893 -13.397 6.033 401 2HG GLU 56 2HG GLU 56 16.420 -12.616 6.392 402 H CYS 57 H CYS 57 16.290 -9.381 8.847 403 HA CYS 57 HA CYS 57 18.336 -8.585 8.872 404 1HB CYS 57 1HB CYS 57 19.058 -10.302 6.499 405 2HB CYS 57 2HB CYS 57 20.128 -9.637 7.717 406 H THR 58 H THR 58 19.412 -6.751 7.944 407 HA THR 58 HA THR 58 17.970 -5.179 6.217 408 HB THR 58 HB THR 58 20.908 -5.295 7.032 409 HG1 THR 58 HG1 THR 58 18.618 -3.513 7.483 410 1HG2 THR 58 1HG2 THR 58 20.304 -4.023 4.735 411 2HG2 THR 58 2HG2 THR 58 19.640 -2.814 5.861 412 3HG2 THR 58 3HG2 THR 58 21.360 -3.262 5.948 413 H PHE 59 H PHE 59 20.982 -7.010 5.337 414 HA PHE 59 HA PHE 59 20.453 -6.562 2.569 415 1HB PHE 59 1HB PHE 59 22.560 -7.799 2.340 416 2HB PHE 59 2HB PHE 59 22.723 -6.806 3.774 417 HD1 PHE 59 HD1 PHE 59 22.747 -7.813 5.990 418 HD2 PHE 59 HD2 PHE 59 22.363 -10.217 2.514 419 HE1 PHE 59 HE1 PHE 59 23.297 -9.855 7.342 420 HE2 PHE 59 HE2 PHE 59 22.913 -12.259 3.866 421 HZ PHE 59 HZ PHE 59 23.373 -12.054 6.264 No H/Q in entry = 421 Start of MODEL 53 1 H GLU 1 H GLU 1 4.433 -8.960 17.526 2 HA GLU 1 HA GLU 1 5.853 -10.680 18.920 3 1HB GLU 1 1HB GLU 1 5.389 -10.374 21.316 4 2HB GLU 1 2HB GLU 1 6.256 -8.988 20.685 5 1HG GLU 1 1HG GLU 1 4.452 -7.559 20.935 6 2HG GLU 1 2HG GLU 1 3.275 -8.798 20.545 7 H GLU 2 H GLU 2 3.789 -10.710 17.064 8 HA GLU 2 HA GLU 2 2.187 -12.684 17.956 9 1HB GLU 2 1HB GLU 2 1.303 -10.251 19.114 10 2HB GLU 2 2HB GLU 2 0.159 -10.587 17.830 11 1HG GLU 2 1HG GLU 2 0.906 -12.955 19.484 12 2HG GLU 2 2HG GLU 2 0.042 -11.701 20.351 13 H TYR 3 H TYR 3 1.544 -9.558 16.195 14 HA TYR 3 HA TYR 3 1.951 -10.627 13.657 15 1HB TYR 3 1HB TYR 3 -0.261 -11.769 14.708 16 2HB TYR 3 2HB TYR 3 -1.002 -10.223 14.348 17 HD1 TYR 3 HD1 TYR 3 0.537 -13.239 12.879 18 HD2 TYR 3 HD2 TYR 3 -1.493 -9.562 12.068 19 HE1 TYR 3 HE1 TYR 3 0.120 -13.989 10.486 20 HE2 TYR 3 HE2 TYR 3 -1.904 -10.324 9.677 21 HH TYR 3 HH TYR 3 -2.063 -12.931 8.623 22 H VAL 4 H VAL 4 2.553 -8.816 12.587 23 HA VAL 4 HA VAL 4 0.906 -6.425 13.006 24 HB VAL 4 HB VAL 4 3.902 -6.718 13.090 25 1HG1 VAL 4 1HG1 VAL 4 2.297 -4.199 12.557 26 2HG1 VAL 4 2HG1 VAL 4 4.001 -4.211 13.072 27 3HG1 VAL 4 3HG1 VAL 4 3.536 -4.937 11.514 28 1HG2 VAL 4 1HG2 VAL 4 1.747 -5.833 14.963 29 2HG2 VAL 4 2HG2 VAL 4 3.212 -6.796 15.272 30 3HG2 VAL 4 3HG2 VAL 4 3.332 -5.031 15.072 31 H GLY 5 H GLY 5 1.035 -4.880 11.154 32 1HA GLY 5 1HA GLY 5 0.649 -6.207 8.707 33 2HA GLY 5 2HA GLY 5 2.263 -5.526 8.721 34 H LEU 6 H LEU 6 -0.585 -4.167 10.452 35 HA LEU 6 HA LEU 6 -0.770 -2.065 8.443 36 1HB LEU 6 1HB LEU 6 -2.788 -1.448 9.921 37 2HB LEU 6 2HB LEU 6 -2.880 -2.834 8.853 38 HG LEU 6 HG LEU 6 -1.989 -3.356 11.647 39 1HD1 LEU 6 1HD1 LEU 6 -4.828 -2.574 10.944 40 2HD1 LEU 6 2HD1 LEU 6 -4.360 -3.440 12.427 41 3HD1 LEU 6 3HD1 LEU 6 -3.744 -1.798 12.123 42 1HD2 LEU 6 1HD2 LEU 6 -2.856 -4.859 9.414 43 2HD2 LEU 6 2HD2 LEU 6 -2.400 -5.445 11.032 44 3HD2 LEU 6 3HD2 LEU 6 -4.098 -5.042 10.676 45 H SER 7 H SER 7 1.656 -1.939 9.698 46 HA SER 7 HA SER 7 1.219 0.240 11.589 47 1HB SER 7 1HB SER 7 3.161 -0.419 12.820 48 2HB SER 7 2HB SER 7 2.250 -1.892 12.549 49 HG SER 7 HG SER 7 3.800 -2.673 11.253 50 H ALA 8 H ALA 8 3.621 -1.196 9.258 51 HA ALA 8 HA ALA 8 3.813 0.819 7.505 52 1HB ALA 8 1HB ALA 8 4.902 1.655 10.087 53 2HB ALA 8 2HB ALA 8 6.122 1.744 8.794 54 3HB ALA 8 3HB ALA 8 4.580 2.618 8.625 55 H ASN 9 H ASN 9 5.451 -1.543 9.585 56 HA ASN 9 HA ASN 9 7.791 -1.956 8.453 57 1HB ASN 9 1HB ASN 9 6.533 -3.383 10.224 58 2HB ASN 9 2HB ASN 9 5.845 -4.275 8.882 59 2HD2 ASN 9 2HD2 ASN 9 7.385 -5.486 10.802 60 1HD2 ASN 9 1HD2 ASN 9 8.885 -6.032 10.131 61 H GLN 10 H GLN 10 4.594 -3.150 7.197 62 HA GLN 10 HA GLN 10 5.796 -4.286 4.893 63 1HB GLN 10 1HB GLN 10 2.854 -3.696 4.973 64 2HB GLN 10 2HB GLN 10 3.685 -5.140 4.429 65 1HG GLN 10 1HG GLN 10 4.364 -5.377 6.990 66 2HG GLN 10 2HG GLN 10 3.009 -4.299 7.260 67 2HE2 GLN 10 2HE2 GLN 10 0.986 -4.900 5.968 68 1HE2 GLN 10 1HE2 GLN 10 0.510 -6.565 5.997 69 H CYS 11 H CYS 11 4.164 -1.223 5.761 70 HA CYS 11 HA CYS 11 4.540 -0.343 2.994 71 1HB CYS 11 1HB CYS 11 2.929 1.345 4.791 72 2HB CYS 11 2HB CYS 11 2.671 0.901 3.116 73 H ALA 12 H ALA 12 6.847 -0.538 4.529 74 HA ALA 12 HA ALA 12 7.281 2.203 5.495 75 1HB ALA 12 1HB ALA 12 9.360 0.970 6.535 76 2HB ALA 12 2HB ALA 12 7.760 0.797 7.296 77 3HB ALA 12 3HB ALA 12 8.393 -0.497 6.251 78 H VAL 13 H VAL 13 7.168 1.936 2.750 79 HA VAL 13 HA VAL 13 9.877 1.472 1.822 80 HB VAL 13 HB VAL 13 7.823 2.518 -0.016 81 1HG1 VAL 13 1HG1 VAL 13 10.112 0.674 -0.011 82 2HG1 VAL 13 2HG1 VAL 13 8.729 0.096 -0.972 83 3HG1 VAL 13 3HG1 VAL 13 9.453 1.685 -1.320 84 1HG2 VAL 13 1HG2 VAL 13 7.397 -0.010 1.573 85 2HG2 VAL 13 2HG2 VAL 13 6.236 1.276 1.166 86 3HG2 VAL 13 3HG2 VAL 13 6.783 0.142 -0.091 87 HA PRO 14 HA PRO 14 10.905 5.671 1.897 88 1HB PRO 14 1HB PRO 14 12.952 5.735 0.088 89 2HB PRO 14 2HB PRO 14 13.152 5.194 1.743 90 1HG PRO 14 1HG PRO 14 13.027 3.581 -0.730 91 2HG PRO 14 2HG PRO 14 13.639 3.126 0.847 92 1HD PRO 14 1HD PRO 14 11.124 2.365 -0.302 93 2HD PRO 14 2HD PRO 14 11.687 2.007 1.318 94 H ALA 15 H ALA 15 9.253 4.297 -0.540 95 HA ALA 15 HA ALA 15 7.764 5.371 -1.867 96 1HB ALA 15 1HB ALA 15 9.352 7.915 -1.986 97 2HB ALA 15 2HB ALA 15 7.589 7.671 -1.963 98 3HB ALA 15 3HB ALA 15 8.528 7.511 -0.460 99 H LYS 16 H LYS 16 11.261 5.346 -2.142 100 HA LYS 16 HA LYS 16 11.124 5.601 -5.035 101 1HB LYS 16 1HB LYS 16 13.568 5.625 -4.922 102 2HB LYS 16 2HB LYS 16 12.866 6.840 -3.873 103 1HG LYS 16 1HG LYS 16 14.408 5.906 -2.403 104 2HG LYS 16 2HG LYS 16 13.014 4.910 -2.035 105 1HD LYS 16 1HD LYS 16 15.019 3.501 -2.365 106 2HD LYS 16 2HD LYS 16 13.819 3.154 -3.594 107 1HE LYS 16 1HE LYS 16 15.211 3.815 -5.271 108 2HE LYS 16 2HE LYS 16 15.582 5.326 -4.466 109 1HZ LYS 16 1HZ LYS 16 16.761 2.966 -3.312 110 2HZ LYS 16 2HZ LYS 16 17.333 3.400 -4.779 111 3HZ LYS 16 3HZ LYS 16 17.403 4.452 -3.532 112 H ASP 17 H ASP 17 10.179 3.267 -3.062 113 HA ASP 17 HA ASP 17 11.337 1.222 -4.778 114 1HB ASP 17 1HB ASP 17 11.672 1.497 -1.939 115 2HB ASP 17 2HB ASP 17 10.597 0.136 -2.186 116 H ARG 18 H ARG 18 8.712 2.920 -4.452 117 HA ARG 18 HA ARG 18 6.781 1.047 -3.606 118 1HB ARG 18 1HB ARG 18 6.311 3.530 -5.322 119 2HB ARG 18 2HB ARG 18 5.152 2.743 -4.270 120 1HG ARG 18 1HG ARG 18 7.738 4.052 -3.300 121 2HG ARG 18 2HG ARG 18 6.170 4.835 -3.279 122 1HD ARG 18 1HD ARG 18 5.377 2.725 -1.917 123 2HD ARG 18 2HD ARG 18 7.086 2.426 -1.667 124 HE ARG 18 HE ARG 18 7.066 4.129 -0.083 125 1HH1 ARG 18 1HH1 ARG 18 4.509 4.762 -2.417 126 2HH1 ARG 18 2HH1 ARG 18 3.942 6.182 -1.602 127 1HH2 ARG 18 1HH2 ARG 18 6.318 6.002 0.992 128 2HH2 ARG 18 2HH2 ARG 18 4.978 6.892 0.350 129 H VAL 19 H VAL 19 5.974 -0.647 -4.808 130 HA VAL 19 HA VAL 19 6.657 -0.784 -7.607 131 HB VAL 19 HB VAL 19 4.980 -2.776 -6.122 132 1HG1 VAL 19 1HG1 VAL 19 6.463 -2.657 -8.615 133 2HG1 VAL 19 2HG1 VAL 19 7.010 -4.019 -7.608 134 3HG1 VAL 19 3HG1 VAL 19 5.291 -3.869 -8.045 135 1HG2 VAL 19 1HG2 VAL 19 7.811 -2.037 -5.546 136 2HG2 VAL 19 2HG2 VAL 19 6.558 -2.712 -4.476 137 3HG2 VAL 19 3HG2 VAL 19 7.418 -3.771 -5.620 138 H ASP 20 H ASP 20 4.172 0.587 -5.737 139 HA ASP 20 HA ASP 20 2.223 1.410 -6.207 140 1HB ASP 20 1HB ASP 20 3.084 2.514 -8.134 141 2HB ASP 20 2HB ASP 20 3.289 1.014 -9.017 142 H CYS 21 H CYS 21 0.337 0.263 -5.758 143 HA CYS 21 HA CYS 21 0.089 -2.410 -6.781 144 1HB CYS 21 1HB CYS 21 -0.558 -1.302 -4.408 145 2HB CYS 21 2HB CYS 21 -2.110 -1.180 -5.213 146 H GLY 22 H GLY 22 -0.916 0.845 -7.552 147 1HA GLY 22 1HA GLY 22 -2.200 0.050 -9.945 148 2HA GLY 22 2HA GLY 22 -2.137 1.661 -9.258 149 H TYR 23 H TYR 23 -3.808 2.393 -7.809 150 HA TYR 23 HA TYR 23 -6.257 0.820 -8.082 151 1HB TYR 23 1HB TYR 23 -4.715 1.735 -5.634 152 2HB TYR 23 2HB TYR 23 -6.458 1.892 -5.545 153 HD1 TYR 23 HD1 TYR 23 -7.759 -0.339 -6.386 154 HD2 TYR 23 HD2 TYR 23 -3.789 -0.216 -4.796 155 HE1 TYR 23 HE1 TYR 23 -7.939 -2.788 -5.728 156 HE2 TYR 23 HE2 TYR 23 -3.982 -2.665 -4.143 157 HH TYR 23 HH TYR 23 -7.004 -4.446 -4.699 158 HA PRO 24 HA PRO 24 -7.890 4.741 -8.918 159 1HB PRO 24 1HB PRO 24 -10.562 4.244 -8.632 160 2HB PRO 24 2HB PRO 24 -9.660 3.832 -10.077 161 1HG PRO 24 1HG PRO 24 -10.638 2.049 -7.931 162 2HG PRO 24 2HG PRO 24 -10.125 1.634 -9.555 163 1HD PRO 24 1HD PRO 24 -8.630 1.265 -7.135 164 2HD PRO 24 2HD PRO 24 -8.073 0.958 -8.768 165 H HIS 25 H HIS 25 -10.024 3.512 -6.388 166 HA HIS 25 HA HIS 25 -9.696 6.073 -5.073 167 1HB HIS 25 1HB HIS 25 -11.638 5.519 -3.826 168 2HB HIS 25 2HB HIS 25 -11.951 5.084 -5.495 169 HD1 HIS 25 HD1 HIS 25 -13.559 3.798 -3.170 170 HD2 HIS 25 HD2 HIS 25 -10.140 2.098 -4.905 171 HE1 HIS 25 HE1 HIS 25 -13.689 1.293 -2.700 172 HE2 HIS 25 HE2 HIS 25 -11.590 0.295 -3.837 173 H VAL 26 H VAL 26 -7.517 5.867 -4.311 174 HA VAL 26 HA VAL 26 -7.062 3.682 -2.428 175 HB VAL 26 HB VAL 26 -4.710 4.461 -2.544 176 1HG1 VAL 26 1HG1 VAL 26 -6.051 3.777 -5.182 177 2HG1 VAL 26 2HG1 VAL 26 -4.301 3.673 -4.870 178 3HG1 VAL 26 3HG1 VAL 26 -5.430 2.635 -3.966 179 1HG2 VAL 26 1HG2 VAL 26 -5.723 6.825 -3.469 180 2HG2 VAL 26 2HG2 VAL 26 -4.026 6.313 -3.637 181 3HG2 VAL 26 3HG2 VAL 26 -5.167 6.067 -4.981 182 H THR 27 H THR 27 -7.092 4.000 -0.251 183 HA THR 27 HA THR 27 -6.742 6.721 0.748 184 HB THR 27 HB THR 27 -8.866 6.801 1.791 185 HG1 THR 27 HG1 THR 27 -10.043 4.644 1.946 186 1HG2 THR 27 1HG2 THR 27 -9.279 5.073 -0.705 187 2HG2 THR 27 2HG2 THR 27 -10.598 5.859 0.195 188 3HG2 THR 27 3HG2 THR 27 -9.367 6.849 -0.625 189 HA PRO 28 HA PRO 28 -4.761 4.764 4.015 190 1HB PRO 28 1HB PRO 28 -5.455 6.193 6.239 191 2HB PRO 28 2HB PRO 28 -4.264 6.745 5.078 192 1HG PRO 28 1HG PRO 28 -7.044 7.673 5.465 193 2HG PRO 28 2HG PRO 28 -5.726 8.472 4.630 194 1HD PRO 28 1HD PRO 28 -7.933 7.089 3.428 195 2HD PRO 28 2HD PRO 28 -6.556 7.787 2.598 196 H LYS 29 H LYS 29 -7.120 3.431 3.219 197 HA LYS 29 HA LYS 29 -7.324 1.642 5.335 198 1HB LYS 29 1HB LYS 29 -8.607 3.773 6.198 199 2HB LYS 29 2HB LYS 29 -9.890 3.193 5.155 200 1HG LYS 29 1HG LYS 29 -8.591 1.144 6.921 201 2HG LYS 29 2HG LYS 29 -9.565 2.355 7.730 202 1HD LYS 29 1HD LYS 29 -11.544 1.748 6.517 203 2HD LYS 29 2HD LYS 29 -10.635 0.870 5.303 204 1HE LYS 29 1HE LYS 29 -11.441 -0.896 6.615 205 2HE LYS 29 2HE LYS 29 -9.864 -0.643 7.335 206 1HZ LYS 29 1HZ LYS 29 -10.918 0.752 8.991 207 2HZ LYS 29 2HZ LYS 29 -12.387 0.495 8.325 208 3HZ LYS 29 3HZ LYS 29 -11.567 -0.747 8.999 209 H GLU 30 H GLU 30 -8.881 3.223 2.510 210 HA GLU 30 HA GLU 30 -10.212 0.822 1.783 211 1HB GLU 30 1HB GLU 30 -11.148 3.047 1.240 212 2HB GLU 30 2HB GLU 30 -9.752 3.417 0.248 213 1HG GLU 30 1HG GLU 30 -10.691 2.371 -1.529 214 2HG GLU 30 2HG GLU 30 -10.796 0.873 -0.626 215 H CYS 31 H CYS 31 -7.180 2.523 0.928 216 HA CYS 31 HA CYS 31 -6.628 0.859 -1.299 217 1HB CYS 31 1HB CYS 31 -5.564 2.877 -1.478 218 2HB CYS 31 2HB CYS 31 -5.183 2.968 0.230 219 H ASN 32 H ASN 32 -6.144 0.774 2.217 220 HA ASN 32 HA ASN 32 -4.243 -1.365 1.998 221 1HB ASN 32 1HB ASN 32 -5.594 -0.409 4.560 222 2HB ASN 32 2HB ASN 32 -4.021 -1.163 4.395 223 2HD2 ASN 32 2HD2 ASN 32 -5.916 1.731 3.834 224 1HD2 ASN 32 1HD2 ASN 32 -4.608 2.858 3.699 225 H ASN 33 H ASN 33 -7.575 -1.017 1.722 226 HA ASN 33 HA ASN 33 -8.173 -3.445 3.185 227 1HB ASN 33 1HB ASN 33 -9.722 -1.575 3.571 228 2HB ASN 33 2HB ASN 33 -9.940 -1.333 1.849 229 2HD2 ASN 33 2HD2 ASN 33 -12.129 -1.617 1.903 230 1HD2 ASN 33 1HD2 ASN 33 -12.905 -3.144 2.160 231 H ARG 34 H ARG 34 -8.250 -1.879 -0.068 232 HA ARG 34 HA ARG 34 -9.573 -3.816 -1.445 233 1HB ARG 34 1HB ARG 34 -8.384 -1.441 -2.095 234 2HB ARG 34 2HB ARG 34 -7.212 -2.537 -2.799 235 1HG ARG 34 1HG ARG 34 -9.046 -1.852 -4.397 236 2HG ARG 34 2HG ARG 34 -8.899 -3.587 -4.199 237 1HD ARG 34 1HD ARG 34 -10.749 -2.313 -2.248 238 2HD ARG 34 2HD ARG 34 -11.259 -2.147 -3.917 239 HE ARG 34 HE ARG 34 -10.418 -4.861 -3.421 240 1HH1 ARG 34 1HH1 ARG 34 -13.063 -2.633 -2.771 241 2HH1 ARG 34 2HH1 ARG 34 -14.250 -3.885 -2.621 242 1HH2 ARG 34 1HH2 ARG 34 -11.985 -6.513 -3.223 243 2HH2 ARG 34 2HH2 ARG 34 -13.633 -6.107 -2.880 244 H GLY 35 H GLY 35 -6.302 -3.789 -0.115 245 1HA GLY 35 1HA GLY 35 -5.758 -6.377 -1.445 246 2HA GLY 35 2HA GLY 35 -5.394 -6.044 0.236 247 H CYS 36 H CYS 36 -3.906 -4.078 0.661 248 HA CYS 36 HA CYS 36 -1.489 -4.473 -0.486 249 1HB CYS 36 1HB CYS 36 -3.112 -3.163 -2.373 250 2HB CYS 36 2HB CYS 36 -2.050 -1.925 -1.732 251 H CYS 37 H CYS 37 -0.563 -1.671 -0.537 252 HA CYS 37 HA CYS 37 -1.252 -0.918 2.212 253 1HB CYS 37 1HB CYS 37 1.380 -1.208 0.860 254 2HB CYS 37 2HB CYS 37 1.193 0.156 1.944 255 H PHE 38 H PHE 38 -1.203 1.449 2.615 256 HA PHE 38 HA PHE 38 -1.559 2.962 0.123 257 1HB PHE 38 1HB PHE 38 -3.670 2.643 1.389 258 2HB PHE 38 2HB PHE 38 -2.882 3.070 2.895 259 HD1 PHE 38 HD1 PHE 38 -4.081 4.416 -0.327 260 HD2 PHE 38 HD2 PHE 38 -2.659 5.340 3.563 261 HE1 PHE 38 HE1 PHE 38 -4.772 6.808 -0.643 262 HE2 PHE 38 HE2 PHE 38 -3.350 7.732 3.247 263 HZ PHE 38 HZ PHE 38 -4.398 8.438 1.148 264 H ASP 39 H ASP 39 -1.388 5.479 0.671 265 HA ASP 39 HA ASP 39 0.214 6.253 2.784 266 1HB ASP 39 1HB ASP 39 2.074 5.100 1.790 267 2HB ASP 39 2HB ASP 39 1.641 5.624 0.175 268 H SER 40 H SER 40 0.431 8.604 2.738 269 HA SER 40 HA SER 40 -0.480 9.860 0.284 270 1HB SER 40 1HB SER 40 -1.975 11.358 1.542 271 2HB SER 40 2HB SER 40 -2.443 9.686 1.782 272 HG SER 40 HG SER 40 -1.780 9.734 3.873 273 H ARG 41 H ARG 41 2.099 9.422 2.024 274 HA ARG 41 HA ARG 41 2.774 11.822 3.176 275 1HB ARG 41 1HB ARG 41 3.968 9.387 2.992 276 2HB ARG 41 2HB ARG 41 4.917 10.225 1.781 277 1HG ARG 41 1HG ARG 41 5.989 11.536 3.334 278 2HG ARG 41 2HG ARG 41 4.536 11.785 4.281 279 1HD ARG 41 1HD ARG 41 4.932 9.951 5.635 280 2HD ARG 41 2HD ARG 41 5.607 8.994 4.331 281 HE ARG 41 HE ARG 41 7.748 9.846 4.817 282 1HH1 ARG 41 1HH1 ARG 41 5.304 11.704 6.536 283 2HH1 ARG 41 2HH1 ARG 41 6.454 12.556 7.512 284 1HH2 ARG 41 1HH2 ARG 41 9.266 10.969 6.104 285 2HH2 ARG 41 2HH2 ARG 41 8.723 12.135 7.264 286 H ILE 42 H ILE 42 3.340 10.547 -0.174 287 HA ILE 42 HA ILE 42 3.496 13.287 -1.113 288 HB ILE 42 HB ILE 42 5.545 12.182 -2.529 289 1HG1 ILE 42 1HG1 ILE 42 7.110 11.209 -0.880 290 2HG1 ILE 42 2HG1 ILE 42 5.841 11.211 0.329 291 1HG2 ILE 42 1HG2 ILE 42 5.194 14.441 -1.262 292 2HG2 ILE 42 2HG2 ILE 42 6.135 13.646 0.022 293 3HG2 ILE 42 3HG2 ILE 42 6.838 13.849 -1.601 294 1HD1 ILE 42 1HD1 ILE 42 5.047 9.938 -2.235 295 2HD1 ILE 42 2HD1 ILE 42 6.371 9.111 -1.380 296 3HD1 ILE 42 3HD1 ILE 42 4.812 9.374 -0.563 297 HA PRO 43 HA PRO 43 1.156 11.367 -4.208 298 1HB PRO 43 1HB PRO 43 0.938 13.460 -5.952 299 2HB PRO 43 2HB PRO 43 -0.085 13.277 -4.541 300 1HG PRO 43 1HG PRO 43 2.179 15.131 -4.961 301 2HG PRO 43 2HG PRO 43 0.900 15.214 -3.766 302 1HD PRO 43 1HD PRO 43 3.606 14.373 -3.326 303 2HD PRO 43 2HD PRO 43 2.298 14.346 -2.161 304 H GLY 44 H GLY 44 4.078 13.065 -5.104 305 1HA GLY 44 1HA GLY 44 5.780 12.289 -6.397 306 2HA GLY 44 2HA GLY 44 4.540 12.360 -7.632 307 H VAL 45 H VAL 45 4.900 10.133 -4.788 308 HA VAL 45 HA VAL 45 5.476 7.946 -6.604 309 HB VAL 45 HB VAL 45 6.294 6.838 -4.790 310 1HG1 VAL 45 1HG1 VAL 45 7.148 9.376 -5.051 311 2HG1 VAL 45 2HG1 VAL 45 6.579 9.438 -3.366 312 3HG1 VAL 45 3HG1 VAL 45 7.812 8.248 -3.845 313 1HG2 VAL 45 1HG2 VAL 45 4.300 8.363 -3.089 314 2HG2 VAL 45 2HG2 VAL 45 4.312 6.625 -3.474 315 3HG2 VAL 45 3HG2 VAL 45 5.567 7.310 -2.414 316 HA PRO 46 HA PRO 46 1.515 6.221 -6.432 317 1HB PRO 46 1HB PRO 46 1.918 3.533 -6.151 318 2HB PRO 46 2HB PRO 46 2.116 4.377 -7.674 319 1HG PRO 46 1HG PRO 46 4.195 3.350 -5.841 320 2HG PRO 46 2HG PRO 46 4.345 3.802 -7.527 321 1HD PRO 46 1HD PRO 46 5.208 5.329 -5.258 322 2HD PRO 46 2HD PRO 46 5.252 5.830 -6.937 323 H TRP 47 H TRP 47 0.633 7.292 -4.649 324 HA TRP 47 HA TRP 47 0.952 6.929 -2.089 325 1HB TRP 47 1HB TRP 47 -1.530 7.196 -3.712 326 2HB TRP 47 2HB TRP 47 -1.710 6.836 -2.006 327 HD1 TRP 47 HD1 TRP 47 1.188 9.124 -3.065 328 HE1 TRP 47 HE1 TRP 47 0.816 11.600 -2.232 329 HE3 TRP 47 HE3 TRP 47 -3.585 8.424 -1.458 330 HZ2 TRP 47 HZ2 TRP 47 -1.384 12.958 -1.022 331 HZ3 TRP 47 HZ3 TRP 47 -4.774 10.376 -0.463 332 HH2 TRP 47 HH2 TRP 47 -3.749 12.583 -0.233 333 H CYS 48 H CYS 48 -1.066 4.648 -4.087 334 HA CYS 48 HA CYS 48 -0.948 2.736 -1.919 335 1HB CYS 48 1HB CYS 48 -3.014 3.331 -3.384 336 2HB CYS 48 2HB CYS 48 -2.284 2.266 -4.569 337 H PHE 49 H PHE 49 0.720 1.273 -1.840 338 HA PHE 49 HA PHE 49 1.768 0.291 -4.378 339 1HB PHE 49 1HB PHE 49 4.091 0.537 -3.213 340 2HB PHE 49 2HB PHE 49 3.352 2.029 -3.760 341 HD1 PHE 49 HD1 PHE 49 3.683 -0.119 -0.737 342 HD2 PHE 49 HD2 PHE 49 3.051 3.789 -2.267 343 HE1 PHE 49 HE1 PHE 49 3.854 0.818 1.585 344 HE2 PHE 49 HE2 PHE 49 3.222 4.726 0.056 345 HZ PHE 49 HZ PHE 49 3.622 3.229 1.954 346 H LYS 50 H LYS 50 3.305 -1.650 -3.949 347 HA LYS 50 HA LYS 50 1.883 -3.462 -2.287 348 1HB LYS 50 1HB LYS 50 4.409 -3.704 -3.940 349 2HB LYS 50 2HB LYS 50 3.723 -5.038 -3.035 350 1HG LYS 50 1HG LYS 50 1.490 -4.086 -4.373 351 2HG LYS 50 2HG LYS 50 2.755 -3.753 -5.539 352 1HD LYS 50 1HD LYS 50 3.328 -6.358 -4.567 353 2HD LYS 50 2HD LYS 50 1.587 -6.326 -4.764 354 1HE LYS 50 1HE LYS 50 2.607 -5.027 -7.076 355 2HE LYS 50 2HE LYS 50 3.674 -6.392 -6.818 356 1HZ LYS 50 1HZ LYS 50 1.339 -7.533 -6.421 357 2HZ LYS 50 2HZ LYS 50 0.875 -6.375 -7.475 358 3HZ LYS 50 3HZ LYS 50 2.038 -7.442 -7.894 359 HA PRO 51 HA PRO 51 4.230 -3.230 1.326 360 1HB PRO 51 1HB PRO 51 4.308 -5.810 2.225 361 2HB PRO 51 2HB PRO 51 2.909 -4.771 2.414 362 1HG PRO 51 1HG PRO 51 3.312 -7.011 0.529 363 2HG PRO 51 2HG PRO 51 1.813 -6.251 1.026 364 1HD PRO 51 1HD PRO 51 3.189 -5.868 -1.462 365 2HD PRO 51 2HD PRO 51 1.754 -5.022 -0.916 366 H LEU 52 H LEU 52 6.280 -2.691 1.699 367 HA LEU 52 HA LEU 52 8.322 -3.178 0.126 368 1HB LEU 52 1HB LEU 52 8.678 -1.788 1.948 369 2HB LEU 52 2HB LEU 52 8.186 -3.000 3.113 370 HG LEU 52 HG LEU 52 10.675 -3.396 1.465 371 1HD1 LEU 52 1HD1 LEU 52 10.558 -1.103 2.703 372 2HD1 LEU 52 2HD1 LEU 52 10.816 -2.088 4.163 373 3HD1 LEU 52 3HD1 LEU 52 12.013 -2.119 2.846 374 1HD2 LEU 52 1HD2 LEU 52 9.560 -4.507 4.025 375 2HD2 LEU 52 2HD2 LEU 52 10.182 -5.358 2.591 376 3HD2 LEU 52 3HD2 LEU 52 11.310 -4.548 3.704 377 H GLN 53 H GLN 53 9.736 -4.791 -0.496 378 HA GLN 53 HA GLN 53 8.848 -7.401 -0.187 379 1HB GLN 53 1HB GLN 53 11.131 -6.005 -1.467 380 2HB GLN 53 2HB GLN 53 11.489 -7.653 -0.991 381 1HG GLN 53 1HG GLN 53 10.448 -8.318 -2.898 382 2HG GLN 53 2HG GLN 53 8.937 -7.872 -2.130 383 2HE2 GLN 53 2HE2 GLN 53 8.759 -5.288 -2.065 384 1HE2 GLN 53 1HE2 GLN 53 8.885 -4.533 -3.619 385 H GLU 54 H GLU 54 8.634 -7.533 2.206 386 HA GLU 54 HA GLU 54 10.555 -7.177 4.021 387 1HB GLU 54 1HB GLU 54 9.292 -8.541 5.453 388 2HB GLU 54 2HB GLU 54 8.112 -8.086 4.239 389 1HG GLU 54 1HG GLU 54 8.749 -10.257 2.992 390 2HG GLU 54 2HG GLU 54 9.644 -10.716 4.427 391 H ALA 55 H ALA 55 12.634 -7.870 4.247 392 HA ALA 55 HA ALA 55 13.292 -10.616 3.925 393 1HB ALA 55 1HB ALA 55 13.374 -10.258 1.596 394 2HB ALA 55 2HB ALA 55 15.063 -10.037 2.113 395 3HB ALA 55 3HB ALA 55 14.042 -8.618 1.778 396 H GLU 56 H GLU 56 13.593 -9.671 6.229 397 HA GLU 56 HA GLU 56 16.373 -9.248 6.527 398 1HB GLU 56 1HB GLU 56 14.583 -6.924 6.547 399 2HB GLU 56 2HB GLU 56 15.430 -7.087 8.072 400 1HG GLU 56 1HG GLU 56 17.485 -6.628 7.141 401 2HG GLU 56 2HG GLU 56 17.143 -7.531 5.678 402 H CYS 57 H CYS 57 17.062 -9.565 8.763 403 HA CYS 57 HA CYS 57 14.875 -10.480 10.485 404 1HB CYS 57 1HB CYS 57 16.349 -12.288 9.365 405 2HB CYS 57 2HB CYS 57 17.594 -11.770 10.483 406 H THR 58 H THR 58 18.473 -9.876 10.567 407 HA THR 58 HA THR 58 18.312 -8.777 13.199 408 HB THR 58 HB THR 58 20.494 -9.028 11.070 409 HG1 THR 58 HG1 THR 58 19.934 -10.194 13.707 410 1HG2 THR 58 1HG2 THR 58 20.639 -8.046 13.968 411 2HG2 THR 58 2HG2 THR 58 22.051 -8.603 13.038 412 3HG2 THR 58 3HG2 THR 58 21.159 -7.154 12.518 413 H PHE 59 H PHE 59 19.361 -7.289 10.055 414 HA PHE 59 HA PHE 59 19.216 -4.691 11.086 415 1HB PHE 59 1HB PHE 59 19.198 -6.027 8.331 416 2HB PHE 59 2HB PHE 59 19.082 -4.282 8.449 417 HD1 PHE 59 HD1 PHE 59 21.225 -7.140 9.494 418 HD2 PHE 59 HD2 PHE 59 21.018 -2.995 8.608 419 HE1 PHE 59 HE1 PHE 59 23.726 -6.983 9.641 420 HE2 PHE 59 HE2 PHE 59 23.519 -2.839 8.755 421 HZ PHE 59 HZ PHE 59 24.843 -4.835 9.270 No H/Q in entry = 421 Start of MODEL 54 1 H GLU 1 H GLU 1 12.293 -13.733 16.396 2 HA GLU 1 HA GLU 1 10.746 -14.990 15.090 3 1HB GLU 1 1HB GLU 1 9.069 -14.592 17.568 4 2HB GLU 1 2HB GLU 1 8.258 -14.745 16.022 5 1HG GLU 1 1HG GLU 1 9.402 -16.910 15.605 6 2HG GLU 1 2HG GLU 1 10.296 -16.749 17.104 7 H GLU 2 H GLU 2 10.635 -13.582 13.398 8 HA GLU 2 HA GLU 2 9.643 -10.913 14.007 9 1HB GLU 2 1HB GLU 2 11.980 -11.701 12.714 10 2HB GLU 2 2HB GLU 2 10.920 -11.326 11.370 11 1HG GLU 2 1HG GLU 2 10.929 -9.365 13.644 12 2HG GLU 2 2HG GLU 2 12.389 -9.439 12.676 13 H TYR 3 H TYR 3 7.710 -10.244 13.142 14 HA TYR 3 HA TYR 3 6.764 -11.233 10.654 15 1HB TYR 3 1HB TYR 3 6.379 -13.009 12.661 16 2HB TYR 3 2HB TYR 3 5.096 -11.909 13.125 17 HD1 TYR 3 HD1 TYR 3 6.289 -14.146 10.413 18 HD2 TYR 3 HD2 TYR 3 3.015 -11.858 11.946 19 HE1 TYR 3 HE1 TYR 3 4.722 -15.260 8.749 20 HE2 TYR 3 HE2 TYR 3 1.459 -12.980 10.278 21 HH TYR 3 HH TYR 3 2.079 -14.174 7.760 22 H VAL 4 H VAL 4 5.435 -9.704 9.772 23 HA VAL 4 HA VAL 4 3.888 -8.028 11.574 24 HB VAL 4 HB VAL 4 6.063 -6.915 11.331 25 1HG1 VAL 4 1HG1 VAL 4 6.162 -7.895 8.814 26 2HG1 VAL 4 2HG1 VAL 4 5.600 -6.241 8.474 27 3HG1 VAL 4 3HG1 VAL 4 7.119 -6.499 9.365 28 1HG2 VAL 4 1HG2 VAL 4 3.582 -5.795 11.154 29 2HG2 VAL 4 2HG2 VAL 4 5.098 -4.873 11.295 30 3HG2 VAL 4 3HG2 VAL 4 4.360 -5.135 9.696 31 H GLY 5 H GLY 5 1.926 -7.424 10.683 32 1HA GLY 5 1HA GLY 5 0.516 -8.703 8.950 33 2HA GLY 5 2HA GLY 5 1.557 -7.888 7.800 34 H LEU 6 H LEU 6 1.615 -5.645 10.131 35 HA LEU 6 HA LEU 6 -1.046 -4.568 9.724 36 1HB LEU 6 1HB LEU 6 -0.387 -2.908 11.361 37 2HB LEU 6 2HB LEU 6 -0.137 -4.539 11.953 38 HG LEU 6 HG LEU 6 2.339 -3.977 10.936 39 1HD1 LEU 6 1HD1 LEU 6 1.056 -1.383 11.736 40 2HD1 LEU 6 2HD1 LEU 6 2.793 -1.651 12.020 41 3HD1 LEU 6 3HD1 LEU 6 2.136 -1.747 10.369 42 1HD2 LEU 6 1HD2 LEU 6 1.507 -4.859 13.228 43 2HD2 LEU 6 2HD2 LEU 6 3.079 -4.030 13.133 44 3HD2 LEU 6 3HD2 LEU 6 1.651 -3.162 13.747 45 H SER 7 H SER 7 -0.591 -1.831 9.658 46 HA SER 7 HA SER 7 0.607 -1.619 7.021 47 1HB SER 7 1HB SER 7 -0.692 0.606 6.995 48 2HB SER 7 2HB SER 7 -1.643 -0.866 6.945 49 HG SER 7 HG SER 7 -2.520 -0.391 8.846 50 H ALA 8 H ALA 8 2.825 -1.341 7.567 51 HA ALA 8 HA ALA 8 3.673 1.230 8.117 52 1HB ALA 8 1HB ALA 8 4.003 1.390 10.363 53 2HB ALA 8 2HB ALA 8 2.719 0.160 10.448 54 3HB ALA 8 3HB ALA 8 4.429 -0.331 10.525 55 H ASN 9 H ASN 9 4.877 -1.908 9.483 56 HA ASN 9 HA ASN 9 7.413 -1.574 8.523 57 1HB ASN 9 1HB ASN 9 6.010 -3.510 10.011 58 2HB ASN 9 2HB ASN 9 6.533 -4.405 8.598 59 2HD2 ASN 9 2HD2 ASN 9 7.329 -4.051 11.584 60 1HD2 ASN 9 1HD2 ASN 9 9.060 -4.000 11.555 61 H GLN 10 H GLN 10 4.521 -3.256 7.139 62 HA GLN 10 HA GLN 10 5.952 -4.186 4.880 63 1HB GLN 10 1HB GLN 10 2.961 -3.965 4.820 64 2HB GLN 10 2HB GLN 10 3.990 -5.291 4.316 65 1HG GLN 10 1HG GLN 10 4.565 -5.467 6.906 66 2HG GLN 10 2HG GLN 10 3.077 -4.564 7.111 67 2HE2 GLN 10 2HE2 GLN 10 1.124 -5.398 6.117 68 1HE2 GLN 10 1HE2 GLN 10 0.881 -7.107 5.979 69 H CYS 11 H CYS 11 4.151 -1.273 5.767 70 HA CYS 11 HA CYS 11 4.362 -0.369 2.989 71 1HB CYS 11 1HB CYS 11 2.694 1.137 4.929 72 2HB CYS 11 2HB CYS 11 2.465 0.863 3.214 73 H ALA 12 H ALA 12 6.704 -0.457 4.550 74 HA ALA 12 HA ALA 12 7.033 2.355 5.345 75 1HB ALA 12 1HB ALA 12 9.151 0.952 6.446 76 2HB ALA 12 2HB ALA 12 7.661 1.412 7.303 77 3HB ALA 12 3HB ALA 12 7.807 -0.207 6.578 78 H VAL 13 H VAL 13 7.095 2.046 2.682 79 HA VAL 13 HA VAL 13 9.832 1.426 1.910 80 HB VAL 13 HB VAL 13 7.915 2.402 -0.099 81 1HG1 VAL 13 1HG1 VAL 13 10.141 0.514 0.155 82 2HG1 VAL 13 2HG1 VAL 13 8.787 -0.132 -0.803 83 3HG1 VAL 13 3HG1 VAL 13 9.551 1.408 -1.267 84 1HG2 VAL 13 1HG2 VAL 13 7.272 0.063 1.677 85 2HG2 VAL 13 2HG2 VAL 13 6.194 1.304 0.993 86 3HG2 VAL 13 3HG2 VAL 13 6.835 0.009 -0.047 87 HA PRO 14 HA PRO 14 10.959 5.594 1.748 88 1HB PRO 14 1HB PRO 14 13.002 5.534 -0.067 89 2HB PRO 14 2HB PRO 14 13.195 5.061 1.610 90 1HG PRO 14 1HG PRO 14 13.026 3.346 -0.792 91 2HG PRO 14 2HG PRO 14 13.633 2.946 0.802 92 1HD PRO 14 1HD PRO 14 11.098 2.193 -0.309 93 2HD PRO 14 2HD PRO 14 11.657 1.892 1.324 94 H ALA 15 H ALA 15 9.234 4.173 -0.592 95 HA ALA 15 HA ALA 15 7.787 5.198 -1.986 96 1HB ALA 15 1HB ALA 15 8.667 7.391 -0.644 97 2HB ALA 15 2HB ALA 15 9.315 7.739 -2.265 98 3HB ALA 15 3HB ALA 15 7.569 7.471 -2.043 99 H LYS 16 H LYS 16 11.307 5.288 -2.257 100 HA LYS 16 HA LYS 16 11.175 5.413 -5.150 101 1HB LYS 16 1HB LYS 16 13.606 5.483 -5.038 102 2HB LYS 16 2HB LYS 16 12.902 6.689 -3.980 103 1HG LYS 16 1HG LYS 16 14.344 5.805 -2.429 104 2HG LYS 16 2HG LYS 16 13.079 4.612 -2.217 105 1HD LYS 16 1HD LYS 16 14.994 3.274 -2.557 106 2HD LYS 16 2HD LYS 16 14.256 3.296 -4.147 107 1HE LYS 16 1HE LYS 16 15.902 4.680 -5.055 108 2HE LYS 16 2HE LYS 16 16.216 5.495 -3.536 109 1HZ LYS 16 1HZ LYS 16 16.933 2.689 -4.004 110 2HZ LYS 16 2HZ LYS 16 17.959 3.928 -4.282 111 3HZ LYS 16 3HZ LYS 16 17.415 3.642 -2.769 112 H ASP 17 H ASP 17 10.309 3.119 -3.048 113 HA ASP 17 HA ASP 17 11.451 1.039 -4.735 114 1HB ASP 17 1HB ASP 17 11.827 1.402 -1.920 115 2HB ASP 17 2HB ASP 17 10.736 0.042 -2.093 116 H ARG 18 H ARG 18 8.829 2.685 -4.567 117 HA ARG 18 HA ARG 18 6.901 0.876 -3.580 118 1HB ARG 18 1HB ARG 18 6.388 3.176 -5.518 119 2HB ARG 18 2HB ARG 18 5.274 2.505 -4.343 120 1HG ARG 18 1HG ARG 18 7.896 3.673 -3.379 121 2HG ARG 18 2HG ARG 18 6.594 4.759 -3.821 122 1HD ARG 18 1HD ARG 18 5.276 2.861 -2.249 123 2HD ARG 18 2HD ARG 18 6.838 2.978 -1.463 124 HE ARG 18 HE ARG 18 5.519 5.547 -2.132 125 1HH1 ARG 18 1HH1 ARG 18 6.245 3.127 0.317 126 2HH1 ARG 18 2HH1 ARG 18 5.909 4.185 1.646 127 1HH2 ARG 18 1HH2 ARG 18 5.076 6.944 -0.379 128 2HH2 ARG 18 2HH2 ARG 18 5.239 6.371 1.247 129 H VAL 19 H VAL 19 5.569 -0.581 -4.751 130 HA VAL 19 HA VAL 19 6.505 -1.133 -7.459 131 HB VAL 19 HB VAL 19 4.897 -2.723 -5.454 132 1HG1 VAL 19 1HG1 VAL 19 5.682 -3.379 -8.306 133 2HG1 VAL 19 2HG1 VAL 19 5.220 -4.615 -7.111 134 3HG1 VAL 19 3HG1 VAL 19 4.053 -3.359 -7.589 135 1HG2 VAL 19 1HG2 VAL 19 7.699 -2.357 -5.834 136 2HG2 VAL 19 2HG2 VAL 19 6.865 -3.448 -4.702 137 3HG2 VAL 19 3HG2 VAL 19 7.294 -4.017 -6.333 138 H ASP 20 H ASP 20 4.192 0.741 -5.935 139 HA ASP 20 HA ASP 20 2.265 1.579 -6.488 140 1HB ASP 20 1HB ASP 20 3.340 2.562 -8.373 141 2HB ASP 20 2HB ASP 20 3.495 1.026 -9.202 142 H CYS 21 H CYS 21 0.631 0.162 -5.733 143 HA CYS 21 HA CYS 21 0.155 -2.338 -6.952 144 1HB CYS 21 1HB CYS 21 -0.423 -1.260 -4.536 145 2HB CYS 21 2HB CYS 21 -1.985 -1.107 -5.316 146 H GLY 22 H GLY 22 -0.855 0.992 -7.492 147 1HA GLY 22 1HA GLY 22 -2.137 0.358 -9.938 148 2HA GLY 22 2HA GLY 22 -2.080 1.917 -9.140 149 H TYR 23 H TYR 23 -3.776 2.577 -7.720 150 HA TYR 23 HA TYR 23 -6.187 0.942 -8.008 151 1HB TYR 23 1HB TYR 23 -4.667 1.908 -5.566 152 2HB TYR 23 2HB TYR 23 -6.413 2.023 -5.474 153 HD1 TYR 23 HD1 TYR 23 -7.741 -0.176 -6.075 154 HD2 TYR 23 HD2 TYR 23 -3.614 -0.083 -4.949 155 HE1 TYR 23 HE1 TYR 23 -7.860 -2.626 -5.406 156 HE2 TYR 23 HE2 TYR 23 -3.748 -2.533 -4.284 157 HH TYR 23 HH TYR 23 -5.702 -4.559 -5.260 158 HA PRO 24 HA PRO 24 -7.930 4.811 -8.862 159 1HB PRO 24 1HB PRO 24 -10.587 4.235 -8.582 160 2HB PRO 24 2HB PRO 24 -9.669 3.847 -10.023 161 1HG PRO 24 1HG PRO 24 -10.600 2.041 -7.876 162 2HG PRO 24 2HG PRO 24 -10.070 1.637 -9.497 163 1HD PRO 24 1HD PRO 24 -8.572 1.319 -7.072 164 2HD PRO 24 2HD PRO 24 -8.001 1.025 -8.703 165 H HIS 25 H HIS 25 -10.101 3.570 -6.376 166 HA HIS 25 HA HIS 25 -9.817 6.126 -5.050 167 1HB HIS 25 1HB HIS 25 -11.783 5.592 -3.886 168 2HB HIS 25 2HB HIS 25 -12.042 5.013 -5.520 169 HD1 HIS 25 HD1 HIS 25 -13.489 3.921 -2.873 170 HD2 HIS 25 HD2 HIS 25 -10.311 2.092 -4.910 171 HE1 HIS 25 HE1 HIS 25 -13.587 1.442 -2.274 172 HE2 HIS 25 HE2 HIS 25 -11.644 0.362 -3.598 173 H VAL 26 H VAL 26 -7.618 5.924 -4.302 174 HA VAL 26 HA VAL 26 -7.131 3.753 -2.422 175 HB VAL 26 HB VAL 26 -4.812 4.657 -2.469 176 1HG1 VAL 26 1HG1 VAL 26 -6.040 3.938 -5.153 177 2HG1 VAL 26 2HG1 VAL 26 -4.304 3.876 -4.763 178 3HG1 VAL 26 3HG1 VAL 26 -5.444 2.803 -3.918 179 1HG2 VAL 26 1HG2 VAL 26 -5.509 7.004 -3.088 180 2HG2 VAL 26 2HG2 VAL 26 -4.148 6.345 -4.026 181 3HG2 VAL 26 3HG2 VAL 26 -5.774 6.413 -4.746 182 H THR 27 H THR 27 -6.827 4.060 -0.213 183 HA THR 27 HA THR 27 -6.753 6.755 0.833 184 HB THR 27 HB THR 27 -8.868 6.698 1.914 185 HG1 THR 27 HG1 THR 27 -8.446 3.860 1.405 186 1HG2 THR 27 1HG2 THR 27 -9.282 5.036 -0.628 187 2HG2 THR 27 2HG2 THR 27 -10.572 5.858 0.281 188 3HG2 THR 27 3HG2 THR 27 -9.315 6.813 -0.541 189 HA PRO 28 HA PRO 28 -4.707 4.830 4.084 190 1HB PRO 28 1HB PRO 28 -5.563 6.078 6.359 191 2HB PRO 28 2HB PRO 28 -4.404 6.790 5.254 192 1HG PRO 28 1HG PRO 28 -7.261 7.453 5.624 193 2HG PRO 28 2HG PRO 28 -6.004 8.404 4.860 194 1HD PRO 28 1HD PRO 28 -8.059 6.899 3.541 195 2HD PRO 28 2HD PRO 28 -6.734 7.755 2.778 196 H LYS 29 H LYS 29 -6.993 3.388 3.175 197 HA LYS 29 HA LYS 29 -7.047 1.436 5.145 198 1HB LYS 29 1HB LYS 29 -8.435 3.394 6.211 199 2HB LYS 29 2HB LYS 29 -9.703 2.843 5.136 200 1HG LYS 29 1HG LYS 29 -8.197 0.910 6.944 201 2HG LYS 29 2HG LYS 29 -9.600 1.791 7.513 202 1HD LYS 29 1HD LYS 29 -10.969 0.832 5.659 203 2HD LYS 29 2HD LYS 29 -9.565 -0.027 5.057 204 1HE LYS 29 1HE LYS 29 -10.169 -0.480 7.947 205 2HE LYS 29 2HE LYS 29 -11.383 -1.085 6.838 206 1HZ LYS 29 1HZ LYS 29 -8.595 -1.643 6.254 207 2HZ LYS 29 2HZ LYS 29 -9.321 -2.496 7.442 208 3HZ LYS 29 3HZ LYS 29 -9.920 -2.537 5.924 209 H GLU 30 H GLU 30 -9.184 3.084 2.716 210 HA GLU 30 HA GLU 30 -10.274 0.723 1.767 211 1HB GLU 30 1HB GLU 30 -11.128 3.090 1.399 212 2HB GLU 30 2HB GLU 30 -9.863 3.309 0.205 213 1HG GLU 30 1HG GLU 30 -11.108 2.256 -1.369 214 2HG GLU 30 2HG GLU 30 -11.211 0.818 -0.373 215 H CYS 31 H CYS 31 -7.225 2.415 1.067 216 HA CYS 31 HA CYS 31 -6.713 0.916 -1.305 217 1HB CYS 31 1HB CYS 31 -5.662 2.942 -1.397 218 2HB CYS 31 2HB CYS 31 -5.274 2.960 0.312 219 H ASN 32 H ASN 32 -5.851 0.827 2.191 220 HA ASN 32 HA ASN 32 -4.112 -1.399 1.783 221 1HB ASN 32 1HB ASN 32 -3.618 -1.200 4.121 222 2HB ASN 32 2HB ASN 32 -3.887 0.451 3.599 223 2HD2 ASN 32 2HD2 ASN 32 -4.278 0.824 5.868 224 1HD2 ASN 32 1HD2 ASN 32 -5.851 0.556 6.543 225 H ASN 33 H ASN 33 -7.400 -1.039 1.659 226 HA ASN 33 HA ASN 33 -7.954 -3.428 3.217 227 1HB ASN 33 1HB ASN 33 -9.410 -1.484 3.702 228 2HB ASN 33 2HB ASN 33 -9.798 -1.305 2.002 229 2HD2 ASN 33 2HD2 ASN 33 -11.072 -2.860 0.950 230 1HD2 ASN 33 1HD2 ASN 33 -12.147 -3.912 1.810 231 H ARG 34 H ARG 34 -8.103 -1.882 -0.023 232 HA ARG 34 HA ARG 34 -9.616 -3.791 -1.295 233 1HB ARG 34 1HB ARG 34 -8.505 -1.417 -2.033 234 2HB ARG 34 2HB ARG 34 -7.357 -2.492 -2.807 235 1HG ARG 34 1HG ARG 34 -9.297 -1.842 -4.291 236 2HG ARG 34 2HG ARG 34 -9.106 -3.574 -4.103 237 1HD ARG 34 1HD ARG 34 -11.084 -3.807 -2.940 238 2HD ARG 34 2HD ARG 34 -10.864 -2.312 -2.054 239 HE ARG 34 HE ARG 34 -11.384 -1.809 -4.870 240 1HH1 ARG 34 1HH1 ARG 34 -12.936 -2.590 -1.810 241 2HH1 ARG 34 2HH1 ARG 34 -14.462 -1.909 -2.264 242 1HH2 ARG 34 1HH2 ARG 34 -13.398 -0.911 -5.470 243 2HH2 ARG 34 2HH2 ARG 34 -14.727 -0.948 -4.360 244 H GLY 35 H GLY 35 -6.274 -3.803 -0.185 245 1HA GLY 35 1HA GLY 35 -5.798 -6.336 -1.641 246 2HA GLY 35 2HA GLY 35 -5.399 -6.106 0.050 247 H CYS 36 H CYS 36 -3.926 -4.110 0.534 248 HA CYS 36 HA CYS 36 -1.513 -4.470 -0.637 249 1HB CYS 36 1HB CYS 36 -3.142 -3.132 -2.486 250 2HB CYS 36 2HB CYS 36 -2.112 -1.888 -1.807 251 H CYS 37 H CYS 37 -0.654 -1.618 -0.639 252 HA CYS 37 HA CYS 37 -1.323 -0.947 2.134 253 1HB CYS 37 1HB CYS 37 1.330 -1.165 0.783 254 2HB CYS 37 2HB CYS 37 1.113 0.102 1.975 255 H PHE 38 H PHE 38 -1.261 1.411 2.587 256 HA PHE 38 HA PHE 38 -1.602 2.973 0.123 257 1HB PHE 38 1HB PHE 38 -3.705 2.660 1.404 258 2HB PHE 38 2HB PHE 38 -2.897 3.054 2.909 259 HD1 PHE 38 HD1 PHE 38 -4.187 4.445 -0.246 260 HD2 PHE 38 HD2 PHE 38 -2.562 5.328 3.574 261 HE1 PHE 38 HE1 PHE 38 -4.851 6.850 -0.519 262 HE2 PHE 38 HE2 PHE 38 -3.226 7.733 3.301 263 HZ PHE 38 HZ PHE 38 -4.363 8.466 1.258 264 H ASP 39 H ASP 39 -1.401 5.480 0.722 265 HA ASP 39 HA ASP 39 0.213 6.216 2.826 266 1HB ASP 39 1HB ASP 39 2.016 4.960 1.765 267 2HB ASP 39 2HB ASP 39 1.667 5.672 0.202 268 H SER 40 H SER 40 0.351 8.547 2.835 269 HA SER 40 HA SER 40 -0.509 9.822 0.362 270 1HB SER 40 1HB SER 40 -1.936 11.361 1.646 271 2HB SER 40 2HB SER 40 -2.434 9.702 1.915 272 HG SER 40 HG SER 40 -1.631 11.554 3.747 273 H ARG 41 H ARG 41 2.088 9.331 2.096 274 HA ARG 41 HA ARG 41 2.865 11.695 3.214 275 1HB ARG 41 1HB ARG 41 4.005 9.238 2.922 276 2HB ARG 41 2HB ARG 41 4.931 10.102 1.711 277 1HG ARG 41 1HG ARG 41 4.926 11.872 3.890 278 2HG ARG 41 2HG ARG 41 5.052 10.300 4.655 279 1HD ARG 41 1HD ARG 41 6.805 10.401 2.321 280 2HD ARG 41 2HD ARG 41 7.132 11.769 3.367 281 HE ARG 41 HE ARG 41 6.886 9.215 4.799 282 1HH1 ARG 41 1HH1 ARG 41 9.076 11.419 3.146 283 2HH1 ARG 41 2HH1 ARG 41 10.490 10.812 3.941 284 1HH2 ARG 41 1HH2 ARG 41 8.752 8.415 5.848 285 2HH2 ARG 41 2HH2 ARG 41 10.305 9.092 5.488 286 H ILE 42 H ILE 42 3.455 10.444 -0.153 287 HA ILE 42 HA ILE 42 3.547 13.206 -1.067 288 HB ILE 42 HB ILE 42 5.562 12.107 -2.539 289 1HG1 ILE 42 1HG1 ILE 42 7.156 11.111 -0.928 290 2HG1 ILE 42 2HG1 ILE 42 5.906 11.099 0.301 291 1HG2 ILE 42 1HG2 ILE 42 5.235 14.117 -0.468 292 2HG2 ILE 42 2HG2 ILE 42 6.862 13.397 -0.439 293 3HG2 ILE 42 3HG2 ILE 42 6.242 14.136 -1.935 294 1HD1 ILE 42 1HD1 ILE 42 5.042 9.868 -2.252 295 2HD1 ILE 42 2HD1 ILE 42 6.406 9.032 -1.472 296 3HD1 ILE 42 3HD1 ILE 42 4.879 9.264 -0.586 297 HA PRO 43 HA PRO 43 1.138 11.345 -4.143 298 1HB PRO 43 1HB PRO 43 0.911 13.458 -5.861 299 2HB PRO 43 2HB PRO 43 -0.089 13.271 -4.434 300 1HG PRO 43 1HG PRO 43 2.187 15.105 -4.875 301 2HG PRO 43 2HG PRO 43 0.930 15.189 -3.657 302 1HD PRO 43 1HD PRO 43 3.635 14.316 -3.274 303 2HD PRO 43 2HD PRO 43 2.347 14.290 -2.086 304 H GLY 44 H GLY 44 4.052 13.036 -5.088 305 1HA GLY 44 1HA GLY 44 5.721 12.271 -6.426 306 2HA GLY 44 2HA GLY 44 4.450 12.330 -7.631 307 H VAL 45 H VAL 45 4.922 10.118 -4.789 308 HA VAL 45 HA VAL 45 5.469 7.928 -6.604 309 HB VAL 45 HB VAL 45 6.310 6.828 -4.792 310 1HG1 VAL 45 1HG1 VAL 45 7.178 9.344 -5.091 311 2HG1 VAL 45 2HG1 VAL 45 6.594 9.460 -3.414 312 3HG1 VAL 45 3HG1 VAL 45 7.826 8.250 -3.845 313 1HG2 VAL 45 1HG2 VAL 45 4.238 8.296 -3.158 314 2HG2 VAL 45 2HG2 VAL 45 4.451 6.545 -3.392 315 3HG2 VAL 45 3HG2 VAL 45 5.604 7.455 -2.386 316 HA PRO 46 HA PRO 46 1.532 6.154 -6.363 317 1HB PRO 46 1HB PRO 46 1.955 3.479 -5.996 318 2HB PRO 46 2HB PRO 46 2.147 4.276 -7.545 319 1HG PRO 46 1HG PRO 46 4.233 3.323 -5.679 320 2HG PRO 46 2HG PRO 46 4.380 3.722 -7.379 321 1HD PRO 46 1HD PRO 46 5.231 5.327 -5.159 322 2HD PRO 46 2HD PRO 46 5.272 5.775 -6.853 323 H TRP 47 H TRP 47 0.559 7.222 -4.652 324 HA TRP 47 HA TRP 47 0.916 6.936 -2.059 325 1HB TRP 47 1HB TRP 47 -1.534 7.241 -3.712 326 2HB TRP 47 2HB TRP 47 -1.764 6.861 -2.016 327 HD1 TRP 47 HD1 TRP 47 1.175 9.135 -3.027 328 HE1 TRP 47 HE1 TRP 47 0.827 11.599 -2.149 329 HE3 TRP 47 HE3 TRP 47 -3.599 8.448 -1.417 330 HZ2 TRP 47 HZ2 TRP 47 -1.356 12.954 -0.908 331 HZ3 TRP 47 HZ3 TRP 47 -4.768 10.393 -0.384 332 HH2 TRP 47 HH2 TRP 47 -3.723 12.587 -0.118 333 H CYS 48 H CYS 48 -1.005 4.610 -4.090 334 HA CYS 48 HA CYS 48 -0.961 2.746 -1.864 335 1HB CYS 48 1HB CYS 48 -3.023 3.337 -3.332 336 2HB CYS 48 2HB CYS 48 -2.303 2.256 -4.508 337 H PHE 49 H PHE 49 0.843 1.451 -1.751 338 HA PHE 49 HA PHE 49 1.853 0.388 -4.287 339 1HB PHE 49 1HB PHE 49 4.152 0.596 -3.056 340 2HB PHE 49 2HB PHE 49 3.445 2.096 -3.624 341 HD1 PHE 49 HD1 PHE 49 3.567 -0.062 -0.585 342 HD2 PHE 49 HD2 PHE 49 3.222 3.868 -2.148 343 HE1 PHE 49 HE1 PHE 49 3.683 0.874 1.741 344 HE2 PHE 49 HE2 PHE 49 3.338 4.804 0.178 345 HZ PHE 49 HZ PHE 49 3.567 3.295 2.095 346 H LYS 50 H LYS 50 3.201 -1.631 -3.962 347 HA LYS 50 HA LYS 50 1.782 -3.420 -2.312 348 1HB LYS 50 1HB LYS 50 4.446 -3.862 -3.686 349 2HB LYS 50 2HB LYS 50 3.308 -5.086 -3.162 350 1HG LYS 50 1HG LYS 50 1.582 -3.955 -4.723 351 2HG LYS 50 2HG LYS 50 2.918 -3.029 -5.377 352 1HD LYS 50 1HD LYS 50 2.924 -4.841 -6.843 353 2HD LYS 50 2HD LYS 50 4.071 -5.412 -5.647 354 1HE LYS 50 1HE LYS 50 2.518 -6.906 -4.665 355 2HE LYS 50 2HE LYS 50 1.129 -6.018 -5.260 356 1HZ LYS 50 1HZ LYS 50 1.938 -6.684 -7.529 357 2HZ LYS 50 2HZ LYS 50 2.934 -7.744 -6.786 358 3HZ LYS 50 3HZ LYS 50 1.317 -7.880 -6.606 359 HA PRO 51 HA PRO 51 4.083 -3.327 1.338 360 1HB PRO 51 1HB PRO 51 4.172 -5.936 2.147 361 2HB PRO 51 2HB PRO 51 2.761 -4.917 2.351 362 1HG PRO 51 1HG PRO 51 3.213 -7.086 0.394 363 2HG PRO 51 2HG PRO 51 1.700 -6.358 0.896 364 1HD PRO 51 1HD PRO 51 3.109 -5.874 -1.556 365 2HD PRO 51 2HD PRO 51 1.658 -5.062 -1.003 366 H LEU 52 H LEU 52 6.118 -2.698 1.623 367 HA LEU 52 HA LEU 52 8.166 -3.274 0.046 368 1HB LEU 52 1HB LEU 52 8.294 -1.685 1.837 369 2HB LEU 52 2HB LEU 52 8.188 -2.949 3.046 370 HG LEU 52 HG LEU 52 10.490 -2.568 1.110 371 1HD1 LEU 52 1HD1 LEU 52 10.205 -1.857 4.039 372 2HD1 LEU 52 2HD1 LEU 52 11.754 -1.903 3.162 373 3HD1 LEU 52 3HD1 LEU 52 10.486 -0.754 2.671 374 1HD2 LEU 52 1HD2 LEU 52 9.822 -4.691 3.089 375 2HD2 LEU 52 2HD2 LEU 52 10.687 -4.792 1.537 376 3HD2 LEU 52 3HD2 LEU 52 11.519 -4.164 2.980 377 H GLN 53 H GLN 53 9.311 -5.011 -0.628 378 HA GLN 53 HA GLN 53 8.603 -7.541 0.351 379 1HB GLN 53 1HB GLN 53 10.756 -8.128 -1.137 380 2HB GLN 53 2HB GLN 53 9.224 -7.688 -1.865 381 1HG GLN 53 1HG GLN 53 11.300 -6.455 -2.756 382 2HG GLN 53 2HG GLN 53 9.935 -5.449 -2.312 383 2HE2 GLN 53 2HE2 GLN 53 10.457 -3.704 -1.262 384 1HE2 GLN 53 1HE2 GLN 53 11.754 -3.497 -0.133 385 H GLU 54 H GLU 54 9.235 -6.522 2.685 386 HA GLU 54 HA GLU 54 11.799 -6.257 3.475 387 1HB GLU 54 1HB GLU 54 10.937 -7.111 5.744 388 2HB GLU 54 2HB GLU 54 10.080 -5.754 5.040 389 1HG GLU 54 1HG GLU 54 8.251 -7.137 4.316 390 2HG GLU 54 2HG GLU 54 9.169 -8.613 4.539 391 H ALA 55 H ALA 55 13.347 -7.650 2.585 392 HA ALA 55 HA ALA 55 13.078 -10.458 3.413 393 1HB ALA 55 1HB ALA 55 13.587 -11.188 1.314 394 2HB ALA 55 2HB ALA 55 12.943 -9.601 0.827 395 3HB ALA 55 3HB ALA 55 14.699 -9.834 1.000 396 H GLU 56 H GLU 56 15.372 -11.542 3.386 397 HA GLU 56 HA GLU 56 17.041 -9.749 4.908 398 1HB GLU 56 1HB GLU 56 18.181 -11.767 5.676 399 2HB GLU 56 2HB GLU 56 16.450 -12.000 5.816 400 1HG GLU 56 1HG GLU 56 16.357 -13.464 3.950 401 2HG GLU 56 2HG GLU 56 17.867 -12.873 3.283 402 H CYS 57 H CYS 57 19.544 -10.104 4.584 403 HA CYS 57 HA CYS 57 20.189 -9.196 2.065 404 1HB CYS 57 1HB CYS 57 21.556 -9.831 4.508 405 2HB CYS 57 2HB CYS 57 22.482 -10.458 3.159 406 H THR 58 H THR 58 22.059 -10.497 0.735 407 HA THR 58 HA THR 58 22.469 -12.161 -0.681 408 HB THR 58 HB THR 58 21.455 -13.874 1.651 409 HG1 THR 58 HG1 THR 58 23.251 -12.254 1.969 410 1HG2 THR 58 1HG2 THR 58 22.865 -14.476 -0.938 411 2HG2 THR 58 2HG2 THR 58 23.516 -15.253 0.525 412 3HG2 THR 58 3HG2 THR 58 21.823 -15.528 0.049 413 H PHE 59 H PHE 59 19.682 -13.847 0.838 414 HA PHE 59 HA PHE 59 18.544 -14.294 -1.710 415 1HB PHE 59 1HB PHE 59 18.386 -15.712 0.435 416 2HB PHE 59 2HB PHE 59 17.373 -14.464 1.132 417 HD1 PHE 59 HD1 PHE 59 17.459 -16.321 -2.117 418 HD2 PHE 59 HD2 PHE 59 15.150 -15.024 1.198 419 HE1 PHE 59 HE1 PHE 59 15.428 -17.420 -3.102 420 HE2 PHE 59 HE2 PHE 59 13.119 -16.123 0.214 421 HZ PHE 59 HZ PHE 59 13.282 -17.308 -1.925 No H/Q in entry = 421 Start of MODEL 55 1 H GLU 1 H GLU 1 7.964 -15.074 21.747 2 HA GLU 1 HA GLU 1 6.051 -14.914 19.910 3 1HB GLU 1 1HB GLU 1 7.099 -13.213 21.812 4 2HB GLU 1 2HB GLU 1 7.443 -12.321 20.343 5 1HG GLU 1 1HG GLU 1 4.823 -13.206 19.920 6 2HG GLU 1 2HG GLU 1 4.842 -12.873 21.641 7 H GLU 2 H GLU 2 5.916 -14.826 17.707 8 HA GLU 2 HA GLU 2 8.383 -14.370 16.287 9 1HB GLU 2 1HB GLU 2 5.672 -15.499 15.523 10 2HB GLU 2 2HB GLU 2 6.839 -15.066 14.291 11 1HG GLU 2 1HG GLU 2 8.198 -16.852 14.762 12 2HG GLU 2 2HG GLU 2 8.012 -16.665 16.495 13 H TYR 3 H TYR 3 7.898 -13.210 13.964 14 HA TYR 3 HA TYR 3 7.359 -10.525 14.622 15 1HB TYR 3 1HB TYR 3 8.665 -11.977 12.664 16 2HB TYR 3 2HB TYR 3 7.181 -11.624 11.801 17 HD1 TYR 3 HD1 TYR 3 9.659 -9.777 13.944 18 HD2 TYR 3 HD2 TYR 3 7.201 -9.750 10.443 19 HE1 TYR 3 HE1 TYR 3 10.561 -7.483 13.320 20 HE2 TYR 3 HE2 TYR 3 8.110 -7.456 9.831 21 HH TYR 3 HH TYR 3 9.153 -5.636 10.737 22 H VAL 4 H VAL 4 5.688 -9.112 13.747 23 HA VAL 4 HA VAL 4 3.428 -10.208 12.443 24 HB VAL 4 HB VAL 4 3.044 -11.160 14.654 25 1HG1 VAL 4 1HG1 VAL 4 4.253 -8.996 15.706 26 2HG1 VAL 4 2HG1 VAL 4 2.554 -8.513 15.925 27 3HG1 VAL 4 3HG1 VAL 4 3.144 -10.037 16.630 28 1HG2 VAL 4 1HG2 VAL 4 1.226 -9.074 13.524 29 2HG2 VAL 4 2HG2 VAL 4 0.993 -10.831 13.691 30 3HG2 VAL 4 3HG2 VAL 4 0.813 -9.770 15.109 31 H GLY 5 H GLY 5 3.429 -8.529 10.996 32 1HA GLY 5 1HA GLY 5 4.217 -5.954 11.346 33 2HA GLY 5 2HA GLY 5 2.574 -5.954 11.958 34 H LEU 6 H LEU 6 0.875 -5.814 10.522 35 HA LEU 6 HA LEU 6 1.493 -6.396 7.715 36 1HB LEU 6 1HB LEU 6 -1.182 -6.256 7.757 37 2HB LEU 6 2HB LEU 6 -0.267 -7.732 7.989 38 HG LEU 6 HG LEU 6 -2.114 -7.462 9.604 39 1HD1 LEU 6 1HD1 LEU 6 0.598 -8.149 10.161 40 2HD1 LEU 6 2HD1 LEU 6 -0.092 -7.366 11.603 41 3HD1 LEU 6 3HD1 LEU 6 -0.894 -8.787 10.893 42 1HD2 LEU 6 1HD2 LEU 6 -0.880 -4.838 9.974 43 2HD2 LEU 6 2HD2 LEU 6 -2.526 -5.401 10.352 44 3HD2 LEU 6 3HD2 LEU 6 -1.201 -5.683 11.507 45 H SER 7 H SER 7 1.837 -3.888 9.648 46 HA SER 7 HA SER 7 0.935 -2.071 7.591 47 1HB SER 7 1HB SER 7 -0.104 -0.536 9.169 48 2HB SER 7 2HB SER 7 -0.856 -2.110 9.342 49 HG SER 7 HG SER 7 0.805 -2.440 11.139 50 H ALA 8 H ALA 8 2.040 0.111 7.802 51 HA ALA 8 HA ALA 8 3.855 1.348 8.058 52 1HB ALA 8 1HB ALA 8 4.002 -0.211 10.664 53 2HB ALA 8 2HB ALA 8 5.096 1.137 10.266 54 3HB ALA 8 3HB ALA 8 3.344 1.423 10.404 55 H ASN 9 H ASN 9 5.327 -1.425 9.801 56 HA ASN 9 HA ASN 9 7.640 -1.440 8.490 57 1HB ASN 9 1HB ASN 9 6.569 -3.021 10.402 58 2HB ASN 9 2HB ASN 9 6.387 -4.136 9.062 59 2HD2 ASN 9 2HD2 ASN 9 8.202 -4.877 7.934 60 1HD2 ASN 9 1HD2 ASN 9 9.796 -4.845 8.611 61 H GLN 10 H GLN 10 4.489 -2.772 7.439 62 HA GLN 10 HA GLN 10 5.640 -4.144 5.218 63 1HB GLN 10 1HB GLN 10 3.386 -4.571 6.645 64 2HB GLN 10 2HB GLN 10 2.692 -3.587 5.372 65 1HG GLN 10 1HG GLN 10 3.965 -5.172 3.721 66 2HG GLN 10 2HG GLN 10 4.157 -6.238 5.099 67 2HE2 GLN 10 2HE2 GLN 10 2.570 -7.553 5.656 68 1HE2 GLN 10 1HE2 GLN 10 0.957 -7.547 5.026 69 H CYS 11 H CYS 11 4.049 -1.026 5.912 70 HA CYS 11 HA CYS 11 4.344 -0.359 3.074 71 1HB CYS 11 1HB CYS 11 2.598 1.247 4.890 72 2HB CYS 11 2HB CYS 11 2.494 1.005 3.157 73 H ALA 12 H ALA 12 6.649 -0.338 4.605 74 HA ALA 12 HA ALA 12 6.972 2.503 5.295 75 1HB ALA 12 1HB ALA 12 9.087 1.182 6.468 76 2HB ALA 12 2HB ALA 12 7.571 1.615 7.294 77 3HB ALA 12 3HB ALA 12 7.778 -0.016 6.614 78 H VAL 13 H VAL 13 7.051 2.173 2.666 79 HA VAL 13 HA VAL 13 9.769 1.468 1.899 80 HB VAL 13 HB VAL 13 7.870 2.467 -0.118 81 1HG1 VAL 13 1HG1 VAL 13 10.057 0.536 0.148 82 2HG1 VAL 13 2HG1 VAL 13 8.687 -0.092 -0.799 83 3HG1 VAL 13 3HG1 VAL 13 9.480 1.426 -1.281 84 1HG2 VAL 13 1HG2 VAL 13 7.190 0.147 1.673 85 2HG2 VAL 13 2HG2 VAL 13 6.135 1.416 1.008 86 3HG2 VAL 13 3HG2 VAL 13 6.729 0.110 -0.045 87 HA PRO 14 HA PRO 14 11.006 5.601 1.672 88 1HB PRO 14 1HB PRO 14 13.030 5.468 -0.159 89 2HB PRO 14 2HB PRO 14 13.225 5.008 1.521 90 1HG PRO 14 1HG PRO 14 12.990 3.273 -0.860 91 2HG PRO 14 2HG PRO 14 13.600 2.873 0.733 92 1HD PRO 14 1HD PRO 14 11.036 2.176 -0.348 93 2HD PRO 14 2HD PRO 14 11.602 1.878 1.284 94 H ALA 15 H ALA 15 9.206 4.212 -0.620 95 HA ALA 15 HA ALA 15 7.785 5.248 -2.025 96 1HB ALA 15 1HB ALA 15 8.738 7.435 -0.702 97 2HB ALA 15 2HB ALA 15 7.597 7.519 -2.066 98 3HB ALA 15 3HB ALA 15 9.338 7.762 -2.346 99 H LYS 16 H LYS 16 11.305 5.281 -2.316 100 HA LYS 16 HA LYS 16 11.166 5.402 -5.207 101 1HB LYS 16 1HB LYS 16 13.600 5.402 -5.100 102 2HB LYS 16 2HB LYS 16 12.930 6.630 -4.045 103 1HG LYS 16 1HG LYS 16 14.418 5.690 -2.547 104 2HG LYS 16 2HG LYS 16 13.054 4.635 -2.235 105 1HD LYS 16 1HD LYS 16 14.974 3.206 -2.560 106 2HD LYS 16 2HD LYS 16 13.972 3.034 -3.988 107 1HE LYS 16 1HE LYS 16 15.563 5.139 -4.765 108 2HE LYS 16 2HE LYS 16 16.670 4.291 -3.704 109 1HZ LYS 16 1HZ LYS 16 15.747 2.265 -5.058 110 2HZ LYS 16 2HZ LYS 16 15.504 3.411 -6.195 111 3HZ LYS 16 3HZ LYS 16 17.003 3.156 -5.599 112 H ASP 17 H ASP 17 10.327 3.118 -3.033 113 HA ASP 17 HA ASP 17 11.380 1.014 -4.753 114 1HB ASP 17 1HB ASP 17 11.787 1.373 -1.945 115 2HB ASP 17 2HB ASP 17 10.652 0.046 -2.100 116 H ARG 18 H ARG 18 8.798 2.712 -4.595 117 HA ARG 18 HA ARG 18 6.834 0.947 -3.592 118 1HB ARG 18 1HB ARG 18 6.368 3.266 -5.520 119 2HB ARG 18 2HB ARG 18 5.239 2.613 -4.350 120 1HG ARG 18 1HG ARG 18 7.884 3.719 -3.378 121 2HG ARG 18 2HG ARG 18 6.605 4.834 -3.813 122 1HD ARG 18 1HD ARG 18 5.270 2.923 -2.248 123 2HD ARG 18 2HD ARG 18 6.826 3.067 -1.454 124 HE ARG 18 HE ARG 18 5.477 5.612 -2.156 125 1HH1 ARG 18 1HH1 ARG 18 6.227 3.227 0.321 126 2HH1 ARG 18 2HH1 ARG 18 5.872 4.295 1.638 127 1HH2 ARG 18 1HH2 ARG 18 5.009 7.021 -0.419 128 2HH2 ARG 18 2HH2 ARG 18 5.174 6.468 1.214 129 H VAL 19 H VAL 19 5.543 -0.541 -4.737 130 HA VAL 19 HA VAL 19 6.428 -1.080 -7.459 131 HB VAL 19 HB VAL 19 4.496 -2.782 -5.942 132 1HG1 VAL 19 1HG1 VAL 19 6.611 -3.151 -8.045 133 2HG1 VAL 19 2HG1 VAL 19 6.132 -4.528 -7.024 134 3HG1 VAL 19 3HG1 VAL 19 4.918 -3.698 -8.026 135 1HG2 VAL 19 1HG2 VAL 19 7.443 -2.491 -5.306 136 2HG2 VAL 19 2HG2 VAL 19 6.056 -2.372 -4.197 137 3HG2 VAL 19 3HG2 VAL 19 6.502 -3.946 -4.899 138 H ASP 20 H ASP 20 4.063 0.719 -5.836 139 HA ASP 20 HA ASP 20 2.180 1.627 -6.410 140 1HB ASP 20 1HB ASP 20 3.247 2.580 -8.318 141 2HB ASP 20 2HB ASP 20 3.359 1.037 -9.141 142 H CYS 21 H CYS 21 0.415 0.373 -5.733 143 HA CYS 21 HA CYS 21 -0.060 -2.202 -6.786 144 1HB CYS 21 1HB CYS 21 -0.749 -0.932 -4.499 145 2HB CYS 21 2HB CYS 21 -2.255 -0.789 -5.384 146 H GLY 22 H GLY 22 -0.642 1.000 -7.897 147 1HA GLY 22 1HA GLY 22 -1.855 0.257 -10.274 148 2HA GLY 22 2HA GLY 22 -1.850 1.867 -9.582 149 H TYR 23 H TYR 23 -3.544 2.392 -7.903 150 HA TYR 23 HA TYR 23 -6.048 1.140 -8.703 151 1HB TYR 23 1HB TYR 23 -4.667 0.382 -6.397 152 2HB TYR 23 2HB TYR 23 -5.598 1.731 -5.776 153 HD1 TYR 23 HD1 TYR 23 -6.620 -0.770 -8.361 154 HD2 TYR 23 HD2 TYR 23 -7.188 0.702 -4.384 155 HE1 TYR 23 HE1 TYR 23 -8.641 -2.287 -8.080 156 HE2 TYR 23 HE2 TYR 23 -9.206 -0.821 -4.117 157 HH TYR 23 HH TYR 23 -10.678 -2.066 -5.226 158 HA PRO 24 HA PRO 24 -7.327 5.267 -8.413 159 1HB PRO 24 1HB PRO 24 -10.040 4.950 -8.476 160 2HB PRO 24 2HB PRO 24 -9.038 4.912 -9.912 161 1HG PRO 24 1HG PRO 24 -10.325 2.663 -8.489 162 2HG PRO 24 2HG PRO 24 -9.692 2.710 -10.123 163 1HD PRO 24 1HD PRO 24 -8.454 1.497 -7.838 164 2HD PRO 24 2HD PRO 24 -7.771 1.646 -9.444 165 H HIS 25 H HIS 25 -10.072 3.964 -6.714 166 HA HIS 25 HA HIS 25 -9.898 5.873 -4.719 167 1HB HIS 25 1HB HIS 25 -11.501 4.355 -3.503 168 2HB HIS 25 2HB HIS 25 -11.980 4.847 -5.116 169 HD1 HIS 25 HD1 HIS 25 -13.554 2.713 -5.184 170 HD2 HIS 25 HD2 HIS 25 -9.444 1.895 -4.981 171 HE1 HIS 25 HE1 HIS 25 -13.285 0.248 -5.788 172 HE2 HIS 25 HE2 HIS 25 -10.735 -0.182 -5.700 173 H VAL 26 H VAL 26 -7.696 5.958 -3.985 174 HA VAL 26 HA VAL 26 -6.947 3.642 -2.337 175 HB VAL 26 HB VAL 26 -4.627 4.433 -2.642 176 1HG1 VAL 26 1HG1 VAL 26 -6.276 3.684 -5.063 177 2HG1 VAL 26 2HG1 VAL 26 -4.505 3.842 -5.140 178 3HG1 VAL 26 3HG1 VAL 26 -5.245 2.647 -4.048 179 1HG2 VAL 26 1HG2 VAL 26 -5.868 6.775 -3.605 180 2HG2 VAL 26 2HG2 VAL 26 -4.126 6.418 -3.527 181 3HG2 VAL 26 3HG2 VAL 26 -5.045 6.045 -5.005 182 H THR 27 H THR 27 -7.141 3.972 -0.188 183 HA THR 27 HA THR 27 -6.565 6.655 0.831 184 HB THR 27 HB THR 27 -8.668 6.875 1.860 185 HG1 THR 27 HG1 THR 27 -9.317 5.041 2.912 186 1HG2 THR 27 1HG2 THR 27 -9.010 6.593 -0.698 187 2HG2 THR 27 2HG2 THR 27 -9.490 4.918 -0.337 188 3HG2 THR 27 3HG2 THR 27 -10.434 6.275 0.322 189 HA PRO 28 HA PRO 28 -4.669 4.575 4.077 190 1HB PRO 28 1HB PRO 28 -5.343 5.948 6.342 191 2HB PRO 28 2HB PRO 28 -4.136 6.511 5.203 192 1HG PRO 28 1HG PRO 28 -6.898 7.484 5.609 193 2HG PRO 28 2HG PRO 28 -5.560 8.281 4.804 194 1HD PRO 28 1HD PRO 28 -7.790 6.983 3.550 195 2HD PRO 28 2HD PRO 28 -6.395 7.677 2.749 196 H LYS 29 H LYS 29 -7.091 3.352 3.234 197 HA LYS 29 HA LYS 29 -7.333 1.496 5.302 198 1HB LYS 29 1HB LYS 29 -8.573 3.600 6.233 199 2HB LYS 29 2HB LYS 29 -9.845 3.144 5.118 200 1HG LYS 29 1HG LYS 29 -8.854 0.806 6.592 201 2HG LYS 29 2HG LYS 29 -9.377 2.065 7.693 202 1HD LYS 29 1HD LYS 29 -11.573 2.200 6.535 203 2HD LYS 29 2HD LYS 29 -11.053 0.994 5.374 204 1HE LYS 29 1HE LYS 29 -10.777 0.199 8.245 205 2HE LYS 29 2HE LYS 29 -12.424 0.409 7.684 206 1HZ LYS 29 1HZ LYS 29 -11.327 -0.970 5.687 207 2HZ LYS 29 2HZ LYS 29 -10.513 -1.586 6.962 208 3HZ LYS 29 3HZ LYS 29 -12.145 -1.646 6.929 209 H GLU 30 H GLU 30 -8.827 3.171 2.497 210 HA GLU 30 HA GLU 30 -10.198 0.821 1.695 211 1HB GLU 30 1HB GLU 30 -10.456 3.518 1.147 212 2HB GLU 30 2HB GLU 30 -9.727 2.937 -0.337 213 1HG GLU 30 1HG GLU 30 -11.533 1.511 -0.838 214 2HG GLU 30 2HG GLU 30 -12.026 1.368 0.838 215 H CYS 31 H CYS 31 -7.108 2.459 0.914 216 HA CYS 31 HA CYS 31 -6.563 0.795 -1.319 217 1HB CYS 31 1HB CYS 31 -5.464 2.791 -1.492 218 2HB CYS 31 2HB CYS 31 -5.108 2.887 0.222 219 H ASN 32 H ASN 32 -6.166 0.673 2.198 220 HA ASN 32 HA ASN 32 -4.306 -1.516 1.979 221 1HB ASN 32 1HB ASN 32 -3.635 -0.766 4.030 222 2HB ASN 32 2HB ASN 32 -4.834 0.508 3.921 223 2HD2 ASN 32 2HD2 ASN 32 -7.132 -0.219 4.399 224 1HD2 ASN 32 1HD2 ASN 32 -7.370 -1.229 5.786 225 H ASN 33 H ASN 33 -7.604 -1.067 1.699 226 HA ASN 33 HA ASN 33 -8.351 -3.333 3.319 227 1HB ASN 33 1HB ASN 33 -9.940 -1.532 3.439 228 2HB ASN 33 2HB ASN 33 -9.876 -1.242 1.712 229 2HD2 ASN 33 2HD2 ASN 33 -12.140 -1.367 1.652 230 1HD2 ASN 33 1HD2 ASN 33 -12.984 -2.880 1.660 231 H ARG 34 H ARG 34 -8.298 -2.148 -0.108 232 HA ARG 34 HA ARG 34 -9.514 -4.268 -1.294 233 1HB ARG 34 1HB ARG 34 -8.475 -1.972 -2.219 234 2HB ARG 34 2HB ARG 34 -7.111 -2.993 -2.624 235 1HG ARG 34 1HG ARG 34 -9.937 -3.091 -3.692 236 2HG ARG 34 2HG ARG 34 -8.425 -3.110 -4.578 237 1HD ARG 34 1HD ARG 34 -7.955 -5.420 -3.744 238 2HD ARG 34 2HD ARG 34 -9.451 -5.402 -2.833 239 HE ARG 34 HE ARG 34 -10.220 -4.783 -5.449 240 1HH1 ARG 34 1HH1 ARG 34 -8.530 -7.446 -3.890 241 2HH1 ARG 34 2HH1 ARG 34 -9.065 -8.627 -5.040 242 1HH2 ARG 34 1HH2 ARG 34 -10.926 -6.340 -6.966 243 2HH2 ARG 34 2HH2 ARG 34 -10.437 -7.993 -6.801 244 H GLY 35 H GLY 35 -6.167 -3.895 -0.091 245 1HA GLY 35 1HA GLY 35 -5.585 -6.660 -0.969 246 2HA GLY 35 2HA GLY 35 -5.219 -6.072 0.640 247 H CYS 36 H CYS 36 -3.840 -3.946 0.701 248 HA CYS 36 HA CYS 36 -1.435 -4.493 -0.575 249 1HB CYS 36 1HB CYS 36 -3.211 -3.163 -2.296 250 2HB CYS 36 2HB CYS 36 -2.110 -1.924 -1.727 251 H CYS 37 H CYS 37 -0.556 -1.654 -0.683 252 HA CYS 37 HA CYS 37 -0.985 -0.947 2.129 253 1HB CYS 37 1HB CYS 37 1.537 -1.166 0.544 254 2HB CYS 37 2HB CYS 37 1.423 0.099 1.751 255 H PHE 38 H PHE 38 -1.082 1.366 2.554 256 HA PHE 38 HA PHE 38 -1.497 2.939 0.109 257 1HB PHE 38 1HB PHE 38 -3.573 2.557 1.404 258 2HB PHE 38 2HB PHE 38 -2.760 2.939 2.909 259 HD1 PHE 38 HD1 PHE 38 -4.025 4.390 -0.243 260 HD2 PHE 38 HD2 PHE 38 -2.573 5.181 3.665 261 HE1 PHE 38 HE1 PHE 38 -4.756 6.782 -0.456 262 HE2 PHE 38 HE2 PHE 38 -3.303 7.573 3.452 263 HZ PHE 38 HZ PHE 38 -4.386 8.345 1.394 264 H ASP 39 H ASP 39 -1.355 5.442 0.704 265 HA ASP 39 HA ASP 39 0.270 6.206 2.801 266 1HB ASP 39 1HB ASP 39 2.115 5.072 1.726 267 2HB ASP 39 2HB ASP 39 1.670 5.691 0.148 268 H SER 40 H SER 40 0.546 8.574 2.745 269 HA SER 40 HA SER 40 -0.466 9.848 0.345 270 1HB SER 40 1HB SER 40 -1.972 11.290 1.621 271 2HB SER 40 2HB SER 40 -2.381 9.613 1.923 272 HG SER 40 HG SER 40 -0.646 10.097 3.817 273 H ARG 41 H ARG 41 2.139 9.411 2.083 274 HA ARG 41 HA ARG 41 2.810 11.822 3.212 275 1HB ARG 41 1HB ARG 41 4.009 9.409 3.097 276 2HB ARG 41 2HB ARG 41 4.925 10.175 1.814 277 1HG ARG 41 1HG ARG 41 5.119 12.155 3.644 278 2HG ARG 41 2HG ARG 41 4.863 10.824 4.754 279 1HD ARG 41 1HD ARG 41 6.870 9.752 4.164 280 2HD ARG 41 2HD ARG 41 6.900 10.451 2.557 281 HE ARG 41 HE ARG 41 8.036 11.614 4.959 282 1HH1 ARG 41 1HH1 ARG 41 6.533 12.441 1.887 283 2HH1 ARG 41 2HH1 ARG 41 7.291 13.996 1.789 284 1HH2 ARG 41 1HH2 ARG 41 9.036 13.664 4.831 285 2HH2 ARG 41 2HH2 ARG 41 8.724 14.696 3.475 286 H ILE 42 H ILE 42 3.418 10.514 -0.121 287 HA ILE 42 HA ILE 42 3.590 13.261 -1.069 288 HB ILE 42 HB ILE 42 5.565 12.061 -2.531 289 1HG1 ILE 42 1HG1 ILE 42 7.139 11.090 -0.870 290 2HG1 ILE 42 2HG1 ILE 42 5.870 11.125 0.338 291 1HG2 ILE 42 1HG2 ILE 42 5.529 14.352 -1.646 292 2HG2 ILE 42 2HG2 ILE 42 5.899 13.726 -0.021 293 3HG2 ILE 42 3HG2 ILE 42 7.083 13.540 -1.337 294 1HD1 ILE 42 1HD1 ILE 42 5.002 9.855 -2.187 295 2HD1 ILE 42 2HD1 ILE 42 6.370 9.021 -1.411 296 3HD1 ILE 42 3HD1 ILE 42 4.854 9.271 -0.512 297 HA PRO 43 HA PRO 43 1.094 11.413 -4.089 298 1HB PRO 43 1HB PRO 43 0.830 13.543 -5.780 299 2HB PRO 43 2HB PRO 43 -0.142 13.340 -4.336 300 1HG PRO 43 1HG PRO 43 2.122 15.183 -4.802 301 2HG PRO 43 2HG PRO 43 0.889 15.251 -3.559 302 1HD PRO 43 1HD PRO 43 3.602 14.379 -3.238 303 2HD PRO 43 2HD PRO 43 2.338 14.339 -2.025 304 H GLY 44 H GLY 44 3.999 13.101 -5.054 305 1HA GLY 44 1HA GLY 44 5.638 12.365 -6.441 306 2HA GLY 44 2HA GLY 44 4.342 12.421 -7.620 307 H VAL 45 H VAL 45 4.888 10.199 -4.799 308 HA VAL 45 HA VAL 45 5.433 8.022 -6.624 309 HB VAL 45 HB VAL 45 6.283 6.923 -4.820 310 1HG1 VAL 45 1HG1 VAL 45 7.107 9.463 -5.080 311 2HG1 VAL 45 2HG1 VAL 45 6.526 9.532 -3.399 312 3HG1 VAL 45 3HG1 VAL 45 7.777 8.353 -3.860 313 1HG2 VAL 45 1HG2 VAL 45 4.174 8.336 -3.188 314 2HG2 VAL 45 2HG2 VAL 45 4.427 6.591 -3.432 315 3HG2 VAL 45 3HG2 VAL 45 5.551 7.520 -2.410 316 HA PRO 46 HA PRO 46 1.504 6.226 -6.412 317 1HB PRO 46 1HB PRO 46 1.944 3.549 -6.078 318 2HB PRO 46 2HB PRO 46 2.133 4.367 -7.616 319 1HG PRO 46 1HG PRO 46 4.223 3.404 -5.761 320 2HG PRO 46 2HG PRO 46 4.369 3.825 -7.456 321 1HD PRO 46 1HD PRO 46 5.208 5.408 -5.216 322 2HD PRO 46 2HD PRO 46 5.247 5.877 -6.904 323 H TRP 47 H TRP 47 0.552 7.286 -4.675 324 HA TRP 47 HA TRP 47 0.900 6.963 -2.092 325 1HB TRP 47 1HB TRP 47 -1.553 7.274 -3.738 326 2HB TRP 47 2HB TRP 47 -1.778 6.874 -2.047 327 HD1 TRP 47 HD1 TRP 47 1.136 9.183 -3.063 328 HE1 TRP 47 HE1 TRP 47 0.780 11.632 -2.148 329 HE3 TRP 47 HE3 TRP 47 -3.607 8.432 -1.390 330 HZ2 TRP 47 HZ2 TRP 47 -1.396 12.951 -0.856 331 HZ3 TRP 47 HZ3 TRP 47 -4.776 10.353 -0.313 332 HH2 TRP 47 HH2 TRP 47 -3.746 12.552 -0.035 333 H CYS 48 H CYS 48 -1.084 4.673 -4.109 334 HA CYS 48 HA CYS 48 -0.989 2.775 -1.919 335 1HB CYS 48 1HB CYS 48 -3.090 3.355 -3.270 336 2HB CYS 48 2HB CYS 48 -2.388 2.404 -4.563 337 H PHE 49 H PHE 49 0.830 1.496 -1.849 338 HA PHE 49 HA PHE 49 1.805 0.470 -4.416 339 1HB PHE 49 1HB PHE 49 4.111 0.635 -3.185 340 2HB PHE 49 2HB PHE 49 3.414 2.147 -3.730 341 HD1 PHE 49 HD1 PHE 49 3.539 -0.054 -0.724 342 HD2 PHE 49 HD2 PHE 49 3.191 3.899 -2.228 343 HE1 PHE 49 HE1 PHE 49 3.665 0.847 1.615 344 HE2 PHE 49 HE2 PHE 49 3.317 4.800 0.112 345 HZ PHE 49 HZ PHE 49 3.552 3.263 2.005 346 H LYS 50 H LYS 50 3.241 -1.531 -4.084 347 HA LYS 50 HA LYS 50 1.791 -3.382 -2.523 348 1HB LYS 50 1HB LYS 50 4.356 -3.543 -4.116 349 2HB LYS 50 2HB LYS 50 3.711 -4.915 -3.238 350 1HG LYS 50 1HG LYS 50 1.447 -4.085 -4.552 351 2HG LYS 50 2HG LYS 50 2.669 -3.576 -5.701 352 1HD LYS 50 1HD LYS 50 3.464 -6.179 -4.880 353 2HD LYS 50 2HD LYS 50 1.727 -6.278 -5.087 354 1HE LYS 50 1HE LYS 50 2.639 -4.763 -7.310 355 2HE LYS 50 2HE LYS 50 3.819 -6.046 -7.126 356 1HZ LYS 50 1HZ LYS 50 1.628 -7.432 -6.831 357 2HZ LYS 50 2HZ LYS 50 1.009 -6.236 -7.754 358 3HZ LYS 50 3HZ LYS 50 2.262 -7.127 -8.305 359 HA PRO 51 HA PRO 51 3.990 -3.336 1.191 360 1HB PRO 51 1HB PRO 51 4.090 -5.960 1.947 361 2HB PRO 51 2HB PRO 51 2.661 -4.963 2.134 362 1HG PRO 51 1HG PRO 51 3.195 -7.084 0.145 363 2HG PRO 51 2HG PRO 51 1.659 -6.385 0.620 364 1HD PRO 51 1HD PRO 51 3.128 -5.833 -1.782 365 2HD PRO 51 2HD PRO 51 1.652 -5.050 -1.252 366 H LEU 52 H LEU 52 6.008 -2.718 1.595 367 HA LEU 52 HA LEU 52 8.111 -3.191 0.062 368 1HB LEU 52 1HB LEU 52 8.289 -1.695 1.863 369 2HB LEU 52 2HB LEU 52 7.934 -2.933 3.051 370 HG LEU 52 HG LEU 52 10.454 -2.881 1.370 371 1HD1 LEU 52 1HD1 LEU 52 10.138 -0.899 2.937 372 2HD1 LEU 52 2HD1 LEU 52 10.256 -2.070 4.272 373 3HD1 LEU 52 3HD1 LEU 52 11.619 -1.865 3.146 374 1HD2 LEU 52 1HD2 LEU 52 9.293 -4.819 3.199 375 2HD2 LEU 52 2HD2 LEU 52 10.678 -4.972 2.092 376 3HD2 LEU 52 3HD2 LEU 52 10.912 -4.296 3.722 377 H GLN 53 H GLN 53 9.378 -4.853 -0.615 378 HA GLN 53 HA GLN 53 8.622 -7.447 -0.006 379 1HB GLN 53 1HB GLN 53 10.803 -8.038 -1.213 380 2HB GLN 53 2HB GLN 53 9.671 -7.047 -2.112 381 1HG GLN 53 1HG GLN 53 11.586 -5.488 -0.452 382 2HG GLN 53 2HG GLN 53 12.347 -6.436 -1.714 383 2HE2 GLN 53 2HE2 GLN 53 11.129 -3.514 -1.012 384 1HE2 GLN 53 1HE2 GLN 53 10.645 -2.942 -2.574 385 H GLU 54 H GLU 54 8.628 -7.435 2.386 386 HA GLU 54 HA GLU 54 10.773 -6.882 3.940 387 1HB GLU 54 1HB GLU 54 9.649 -8.040 5.659 388 2HB GLU 54 2HB GLU 54 8.353 -7.591 4.569 389 1HG GLU 54 1HG GLU 54 8.762 -9.927 3.447 390 2HG GLU 54 2HG GLU 54 9.667 -10.313 4.897 391 H ALA 55 H ALA 55 12.845 -7.628 3.900 392 HA ALA 55 HA ALA 55 13.337 -10.442 3.865 393 1HB ALA 55 1HB ALA 55 13.610 -10.691 1.647 394 2HB ALA 55 2HB ALA 55 13.368 -8.949 1.370 395 3HB ALA 55 3HB ALA 55 14.991 -9.572 1.749 396 H GLU 56 H GLU 56 15.970 -10.639 3.608 397 HA GLU 56 HA GLU 56 16.986 -8.489 5.300 398 1HB GLU 56 1HB GLU 56 16.749 -10.662 6.495 399 2HB GLU 56 2HB GLU 56 17.775 -11.436 5.303 400 1HG GLU 56 1HG GLU 56 18.953 -8.985 6.517 401 2HG GLU 56 2HG GLU 56 18.677 -10.289 7.656 402 H CYS 57 H CYS 57 17.839 -7.223 3.583 403 HA CYS 57 HA CYS 57 19.854 -8.582 1.955 404 1HB CYS 57 1HB CYS 57 18.193 -7.604 0.573 405 2HB CYS 57 2HB CYS 57 18.212 -6.100 1.472 406 H THR 58 H THR 58 19.625 -5.058 2.389 407 HA THR 58 HA THR 58 22.067 -5.162 4.037 408 HB THR 58 HB THR 58 22.606 -2.978 2.789 409 HG1 THR 58 HG1 THR 58 20.570 -2.467 1.903 410 1HG2 THR 58 1HG2 THR 58 22.258 -5.576 1.211 411 2HG2 THR 58 2HG2 THR 58 23.052 -4.134 0.535 412 3HG2 THR 58 3HG2 THR 58 23.755 -4.955 1.949 413 H PHE 59 H PHE 59 22.350 -3.518 5.630 414 HA PHE 59 HA PHE 59 20.327 -3.082 7.288 415 1HB PHE 59 1HB PHE 59 21.740 -1.317 8.189 416 2HB PHE 59 2HB PHE 59 22.845 -2.409 7.378 417 HD1 PHE 59 HD1 PHE 59 23.487 -1.814 4.941 418 HD2 PHE 59 HD2 PHE 59 21.733 0.947 7.644 419 HE1 PHE 59 HE1 PHE 59 24.353 0.092 3.555 420 HE2 PHE 59 HE2 PHE 59 22.599 2.853 6.258 421 HZ PHE 59 HZ PHE 59 23.898 2.403 4.231 No H/Q in entry = 421 Start of MODEL 56 1 H GLU 1 H GLU 1 8.855 -14.422 17.198 2 HA GLU 1 HA GLU 1 7.926 -17.043 18.084 3 1HB GLU 1 1HB GLU 1 8.952 -15.448 19.859 4 2HB GLU 1 2HB GLU 1 7.515 -14.468 19.645 5 1HG GLU 1 1HG GLU 1 6.826 -15.854 21.394 6 2HG GLU 1 2HG GLU 1 6.221 -16.754 20.018 7 H GLU 2 H GLU 2 6.980 -13.608 17.393 8 HA GLU 2 HA GLU 2 4.476 -14.695 16.377 9 1HB GLU 2 1HB GLU 2 3.255 -12.771 17.292 10 2HB GLU 2 2HB GLU 2 4.070 -13.631 18.583 11 1HG GLU 2 1HG GLU 2 5.530 -11.352 17.241 12 2HG GLU 2 2HG GLU 2 4.239 -10.963 18.360 13 H TYR 3 H TYR 3 3.318 -12.687 15.082 14 HA TYR 3 HA TYR 3 5.303 -11.101 13.689 15 1HB TYR 3 1HB TYR 3 4.741 -13.616 12.750 16 2HB TYR 3 2HB TYR 3 3.339 -12.793 12.095 17 HD1 TYR 3 HD1 TYR 3 7.074 -12.482 12.225 18 HD2 TYR 3 HD2 TYR 3 3.489 -11.787 9.996 19 HE1 TYR 3 HE1 TYR 3 8.453 -11.704 10.236 20 HE2 TYR 3 HE2 TYR 3 4.880 -11.011 8.014 21 HH TYR 3 HH TYR 3 8.382 -10.678 8.291 22 H VAL 4 H VAL 4 4.392 -9.299 12.577 23 HA VAL 4 HA VAL 4 1.651 -8.995 12.140 24 HB VAL 4 HB VAL 4 1.768 -9.014 14.682 25 1HG1 VAL 4 1HG1 VAL 4 3.752 -7.050 14.207 26 2HG1 VAL 4 2HG1 VAL 4 2.368 -6.209 14.947 27 3HG1 VAL 4 3HG1 VAL 4 3.107 -7.603 15.771 28 1HG2 VAL 4 1HG2 VAL 4 0.027 -7.868 13.014 29 2HG2 VAL 4 2HG2 VAL 4 -0.106 -7.704 14.782 30 3HG2 VAL 4 3HG2 VAL 4 0.619 -6.395 13.818 31 H GLY 5 H GLY 5 1.207 -6.433 11.879 32 1HA GLY 5 1HA GLY 5 3.292 -5.538 10.088 33 2HA GLY 5 2HA GLY 5 3.106 -4.550 11.523 34 H LEU 6 H LEU 6 2.016 -5.074 8.342 35 HA LEU 6 HA LEU 6 0.626 -3.726 7.184 36 1HB LEU 6 1HB LEU 6 -1.730 -4.715 8.589 37 2HB LEU 6 2HB LEU 6 -1.236 -4.911 6.919 38 HG LEU 6 HG LEU 6 0.492 -6.628 7.963 39 1HD1 LEU 6 1HD1 LEU 6 -1.419 -6.107 10.163 40 2HD1 LEU 6 2HD1 LEU 6 -1.073 -7.818 9.817 41 3HD1 LEU 6 3HD1 LEU 6 0.258 -6.701 10.203 42 1HD2 LEU 6 1HD2 LEU 6 -1.233 -7.136 6.291 43 2HD2 LEU 6 2HD2 LEU 6 -1.084 -8.427 7.507 44 3HD2 LEU 6 3HD2 LEU 6 -2.444 -7.282 7.588 45 H SER 7 H SER 7 1.234 -1.618 7.895 46 HA SER 7 HA SER 7 -0.709 0.014 8.640 47 1HB SER 7 1HB SER 7 -0.012 0.468 11.147 48 2HB SER 7 2HB SER 7 -1.174 -0.791 10.777 49 HG SER 7 HG SER 7 1.657 -1.130 11.288 50 H ALA 8 H ALA 8 2.685 -0.942 8.884 51 HA ALA 8 HA ALA 8 3.525 1.575 7.870 52 1HB ALA 8 1HB ALA 8 3.314 1.371 10.692 53 2HB ALA 8 2HB ALA 8 5.048 1.242 10.309 54 3HB ALA 8 3HB ALA 8 4.115 2.652 9.751 55 H ASN 9 H ASN 9 4.409 -1.467 9.614 56 HA ASN 9 HA ASN 9 6.977 -1.628 8.654 57 1HB ASN 9 1HB ASN 9 5.200 -3.240 10.186 58 2HB ASN 9 2HB ASN 9 5.682 -4.263 8.848 59 2HD2 ASN 9 2HD2 ASN 9 7.704 -5.051 8.708 60 1HD2 ASN 9 1HD2 ASN 9 8.950 -4.818 9.888 61 H GLN 10 H GLN 10 3.852 -3.038 7.431 62 HA GLN 10 HA GLN 10 5.020 -4.277 5.220 63 1HB GLN 10 1HB GLN 10 2.606 -4.457 6.428 64 2HB GLN 10 2HB GLN 10 2.151 -3.398 5.108 65 1HG GLN 10 1HG GLN 10 1.930 -5.305 3.878 66 2HG GLN 10 2HG GLN 10 3.679 -5.291 3.780 67 2HE2 GLN 10 2HE2 GLN 10 3.721 -7.532 3.625 68 1HE2 GLN 10 1HE2 GLN 10 3.489 -8.575 4.989 69 H CYS 11 H CYS 11 3.660 -1.021 5.812 70 HA CYS 11 HA CYS 11 4.298 -0.358 3.032 71 1HB CYS 11 1HB CYS 11 2.644 1.487 4.668 72 2HB CYS 11 2HB CYS 11 2.578 1.128 2.954 73 H ALA 12 H ALA 12 6.460 -0.619 4.738 74 HA ALA 12 HA ALA 12 6.992 2.071 5.760 75 1HB ALA 12 1HB ALA 12 9.134 0.414 6.419 76 2HB ALA 12 2HB ALA 12 7.761 0.822 7.476 77 3HB ALA 12 3HB ALA 12 7.725 -0.671 6.507 78 H VAL 13 H VAL 13 6.819 1.801 2.939 79 HA VAL 13 HA VAL 13 9.572 1.556 2.036 80 HB VAL 13 HB VAL 13 7.525 2.370 0.109 81 1HG1 VAL 13 1HG1 VAL 13 9.897 0.696 0.285 82 2HG1 VAL 13 2HG1 VAL 13 8.572 -0.139 -0.562 83 3HG1 VAL 13 3HG1 VAL 13 9.136 1.449 -1.137 84 1HG2 VAL 13 1HG2 VAL 13 7.097 -0.074 1.827 85 2HG2 VAL 13 2HG2 VAL 13 5.923 1.162 1.313 86 3HG2 VAL 13 3HG2 VAL 13 6.538 -0.025 0.138 87 HA PRO 14 HA PRO 14 10.192 5.830 1.955 88 1HB PRO 14 1HB PRO 14 12.077 6.087 -0.007 89 2HB PRO 14 2HB PRO 14 12.457 5.575 1.625 90 1HG PRO 14 1HG PRO 14 12.299 3.948 -0.837 91 2HG PRO 14 2HG PRO 14 13.073 3.561 0.686 92 1HD PRO 14 1HD PRO 14 10.562 2.554 -0.268 93 2HD PRO 14 2HD PRO 14 11.281 2.259 1.303 94 H ALA 15 H ALA 15 10.174 4.743 -1.415 95 HA ALA 15 HA ALA 15 7.823 5.697 -2.218 96 1HB ALA 15 1HB ALA 15 9.587 7.941 -1.483 97 2HB ALA 15 2HB ALA 15 7.827 7.910 -1.747 98 3HB ALA 15 3HB ALA 15 8.932 8.063 -3.134 99 H LYS 16 H LYS 16 11.282 5.324 -2.695 100 HA LYS 16 HA LYS 16 10.954 5.259 -5.585 101 1HB LYS 16 1HB LYS 16 13.366 5.184 -5.669 102 2HB LYS 16 2HB LYS 16 12.858 6.486 -4.614 103 1HG LYS 16 1HG LYS 16 14.526 5.476 -3.314 104 2HG LYS 16 2HG LYS 16 13.088 4.694 -2.687 105 1HD LYS 16 1HD LYS 16 13.860 2.662 -3.329 106 2HD LYS 16 2HD LYS 16 13.986 3.198 -4.993 107 1HE LYS 16 1HE LYS 16 16.251 3.546 -4.847 108 2HE LYS 16 2HE LYS 16 16.139 4.270 -3.255 109 1HZ LYS 16 1HZ LYS 16 15.941 1.387 -3.791 110 2HZ LYS 16 2HZ LYS 16 17.273 2.148 -3.229 111 3HZ LYS 16 3HZ LYS 16 15.919 2.089 -2.317 112 H ASP 17 H ASP 17 10.258 3.231 -3.082 113 HA ASP 17 HA ASP 17 11.152 0.914 -4.611 114 1HB ASP 17 1HB ASP 17 11.261 1.559 -1.763 115 2HB ASP 17 2HB ASP 17 10.319 0.102 -2.006 116 H ARG 18 H ARG 18 8.607 2.849 -4.441 117 HA ARG 18 HA ARG 18 6.571 1.115 -3.535 118 1HB ARG 18 1HB ARG 18 6.197 3.537 -5.351 119 2HB ARG 18 2HB ARG 18 5.047 2.878 -4.205 120 1HG ARG 18 1HG ARG 18 7.719 4.168 -3.473 121 2HG ARG 18 2HG ARG 18 6.154 4.942 -3.336 122 1HD ARG 18 1HD ARG 18 5.468 2.968 -1.802 123 2HD ARG 18 2HD ARG 18 7.163 2.525 -1.774 124 HE ARG 18 HE ARG 18 7.508 4.249 -0.250 125 1HH1 ARG 18 1HH1 ARG 18 4.693 5.048 -2.204 126 2HH1 ARG 18 2HH1 ARG 18 4.355 6.515 -1.347 127 1HH2 ARG 18 1HH2 ARG 18 7.063 6.184 0.882 128 2HH2 ARG 18 2HH2 ARG 18 5.712 7.165 0.420 129 H VAL 19 H VAL 19 6.139 -0.752 -4.693 130 HA VAL 19 HA VAL 19 6.715 -0.995 -7.439 131 HB VAL 19 HB VAL 19 4.826 -2.724 -5.855 132 1HG1 VAL 19 1HG1 VAL 19 5.133 -3.170 -8.285 133 2HG1 VAL 19 2HG1 VAL 19 6.871 -3.415 -7.991 134 3HG1 VAL 19 3HG1 VAL 19 5.680 -4.511 -7.251 135 1HG2 VAL 19 1HG2 VAL 19 7.552 -2.080 -5.177 136 2HG2 VAL 19 2HG2 VAL 19 6.410 -3.166 -4.349 137 3HG2 VAL 19 3HG2 VAL 19 7.441 -3.790 -5.659 138 H ASP 20 H ASP 20 4.212 0.618 -5.755 139 HA ASP 20 HA ASP 20 2.371 1.575 -6.379 140 1HB ASP 20 1HB ASP 20 3.736 2.347 -8.334 141 2HB ASP 20 2HB ASP 20 3.266 0.914 -9.226 142 H CYS 21 H CYS 21 0.414 0.533 -5.984 143 HA CYS 21 HA CYS 21 0.031 -2.122 -6.988 144 1HB CYS 21 1HB CYS 21 -0.763 -0.780 -4.721 145 2HB CYS 21 2HB CYS 21 -2.241 -0.819 -5.661 146 H GLY 22 H GLY 22 -0.532 1.116 -8.033 147 1HA GLY 22 1HA GLY 22 -1.709 0.394 -10.453 148 2HA GLY 22 2HA GLY 22 -1.658 2.004 -9.762 149 H TYR 23 H TYR 23 -3.300 2.400 -7.876 150 HA TYR 23 HA TYR 23 -5.859 1.297 -8.778 151 1HB TYR 23 1HB TYR 23 -4.523 0.442 -6.504 152 2HB TYR 23 2HB TYR 23 -5.336 1.847 -5.844 153 HD1 TYR 23 HD1 TYR 23 -6.413 -0.801 -8.286 154 HD2 TYR 23 HD2 TYR 23 -7.154 1.182 -4.568 155 HE1 TYR 23 HE1 TYR 23 -8.532 -2.169 -7.971 156 HE2 TYR 23 HE2 TYR 23 -9.271 -0.192 -4.266 157 HH TYR 23 HH TYR 23 -10.184 -2.649 -6.666 158 HA PRO 24 HA PRO 24 -6.986 5.470 -8.476 159 1HB PRO 24 1HB PRO 24 -9.702 5.241 -8.686 160 2HB PRO 24 2HB PRO 24 -8.627 5.209 -10.070 161 1HG PRO 24 1HG PRO 24 -10.053 2.965 -8.779 162 2HG PRO 24 2HG PRO 24 -9.336 3.035 -10.376 163 1HD PRO 24 1HD PRO 24 -8.255 1.724 -8.065 164 2HD PRO 24 2HD PRO 24 -7.484 1.894 -9.630 165 H HIS 25 H HIS 25 -9.767 4.042 -6.893 166 HA HIS 25 HA HIS 25 -9.662 5.947 -4.848 167 1HB HIS 25 1HB HIS 25 -11.677 5.133 -4.313 168 2HB HIS 25 2HB HIS 25 -11.532 4.228 -5.807 169 HD1 HIS 25 HD1 HIS 25 -12.326 3.732 -2.360 170 HD2 HIS 25 HD2 HIS 25 -10.170 1.539 -5.212 171 HE1 HIS 25 HE1 HIS 25 -12.224 1.335 -1.490 172 HE2 HIS 25 HE2 HIS 25 -10.935 0.024 -3.311 173 H VAL 26 H VAL 26 -7.744 6.051 -3.694 174 HA VAL 26 HA VAL 26 -7.088 3.609 -2.199 175 HB VAL 26 HB VAL 26 -4.714 4.366 -2.323 176 1HG1 VAL 26 1HG1 VAL 26 -6.253 3.499 -4.765 177 2HG1 VAL 26 2HG1 VAL 26 -4.490 3.728 -4.837 178 3HG1 VAL 26 3HG1 VAL 26 -5.188 2.547 -3.703 179 1HG2 VAL 26 1HG2 VAL 26 -5.330 6.751 -2.965 180 2HG2 VAL 26 2HG2 VAL 26 -3.991 6.010 -3.876 181 3HG2 VAL 26 3HG2 VAL 26 -5.607 6.136 -4.613 182 H THR 27 H THR 27 -6.786 3.875 0.000 183 HA THR 27 HA THR 27 -6.543 6.593 1.026 184 HB THR 27 HB THR 27 -8.553 6.466 2.324 185 HG1 THR 27 HG1 THR 27 -8.262 3.663 1.541 186 1HG2 THR 27 1HG2 THR 27 -9.004 6.600 -0.232 187 2HG2 THR 27 2HG2 THR 27 -9.359 4.858 -0.145 188 3HG2 THR 27 3HG2 THR 27 -10.350 6.016 0.775 189 HA PRO 28 HA PRO 28 -4.195 4.701 4.083 190 1HB PRO 28 1HB PRO 28 -4.798 6.035 6.391 191 2HB PRO 28 2HB PRO 28 -3.741 6.688 5.155 192 1HG PRO 28 1HG PRO 28 -6.534 7.425 5.782 193 2HG PRO 28 2HG PRO 28 -5.340 8.325 4.868 194 1HD PRO 28 1HD PRO 28 -7.543 6.828 3.805 195 2HD PRO 28 2HD PRO 28 -6.283 7.631 2.890 196 H LYS 29 H LYS 29 -6.589 3.287 3.449 197 HA LYS 29 HA LYS 29 -6.484 1.390 5.468 198 1HB LYS 29 1HB LYS 29 -7.703 3.401 6.627 199 2HB LYS 29 2HB LYS 29 -9.090 2.876 5.694 200 1HG LYS 29 1HG LYS 29 -7.489 0.871 7.321 201 2HG LYS 29 2HG LYS 29 -8.707 1.865 8.094 202 1HD LYS 29 1HD LYS 29 -10.060 0.951 5.839 203 2HD LYS 29 2HD LYS 29 -9.043 -0.421 6.231 204 1HE LYS 29 1HE LYS 29 -10.994 -0.812 7.517 205 2HE LYS 29 2HE LYS 29 -9.882 -0.123 8.683 206 1HZ LYS 29 1HZ LYS 29 -10.988 2.068 7.801 207 2HZ LYS 29 2HZ LYS 29 -12.234 1.056 7.497 208 3HZ LYS 29 3HZ LYS 29 -11.650 1.199 9.015 209 H GLU 30 H GLU 30 -8.681 3.052 3.119 210 HA GLU 30 HA GLU 30 -9.957 0.676 2.383 211 1HB GLU 30 1HB GLU 30 -10.525 3.279 2.011 212 2HB GLU 30 2HB GLU 30 -9.761 2.984 0.462 213 1HG GLU 30 1HG GLU 30 -12.072 2.513 0.094 214 2HG GLU 30 2HG GLU 30 -11.315 0.937 0.225 215 H CYS 31 H CYS 31 -6.948 2.272 1.406 216 HA CYS 31 HA CYS 31 -6.703 0.731 -0.994 217 1HB CYS 31 1HB CYS 31 -5.654 2.736 -1.267 218 2HB CYS 31 2HB CYS 31 -5.118 2.826 0.399 219 H ASN 32 H ASN 32 -5.839 0.550 2.441 220 HA ASN 32 HA ASN 32 -3.979 -1.585 1.945 221 1HB ASN 32 1HB ASN 32 -4.976 -0.704 4.685 222 2HB ASN 32 2HB ASN 32 -3.423 -1.407 4.276 223 2HD2 ASN 32 2HD2 ASN 32 -1.888 0.003 4.594 224 1HD2 ASN 32 1HD2 ASN 32 -1.881 1.673 4.135 225 H ASN 33 H ASN 33 -7.265 -1.315 1.897 226 HA ASN 33 HA ASN 33 -7.741 -3.691 3.494 227 1HB ASN 33 1HB ASN 33 -9.208 -1.646 3.828 228 2HB ASN 33 2HB ASN 33 -9.741 -1.786 2.164 229 2HD2 ASN 33 2HD2 ASN 33 -11.807 -2.314 2.361 230 1HD2 ASN 33 1HD2 ASN 33 -12.437 -3.705 3.178 231 H ARG 34 H ARG 34 -7.931 -2.229 0.218 232 HA ARG 34 HA ARG 34 -9.389 -4.222 -1.000 233 1HB ARG 34 1HB ARG 34 -8.643 -1.873 -1.878 234 2HB ARG 34 2HB ARG 34 -7.158 -2.662 -2.373 235 1HG ARG 34 1HG ARG 34 -9.912 -3.678 -3.202 236 2HG ARG 34 2HG ARG 34 -9.010 -2.515 -4.153 237 1HD ARG 34 1HD ARG 34 -7.146 -4.579 -3.589 238 2HD ARG 34 2HD ARG 34 -8.642 -5.417 -3.952 239 HE ARG 34 HE ARG 34 -8.507 -3.529 -5.962 240 1HH1 ARG 34 1HH1 ARG 34 -6.250 -5.950 -4.769 241 2HH1 ARG 34 2HH1 ARG 34 -5.478 -6.172 -6.304 242 1HH2 ARG 34 1HH2 ARG 34 -7.489 -3.820 -7.987 243 2HH2 ARG 34 2HH2 ARG 34 -6.188 -4.952 -8.147 244 H GLY 35 H GLY 35 -6.011 -4.037 0.025 245 1HA GLY 35 1HA GLY 35 -5.483 -6.630 -1.304 246 2HA GLY 35 2HA GLY 35 -4.997 -6.259 0.339 247 H CYS 36 H CYS 36 -3.598 -4.170 0.590 248 HA CYS 36 HA CYS 36 -1.265 -4.516 -0.794 249 1HB CYS 36 1HB CYS 36 -3.078 -3.278 -2.493 250 2HB CYS 36 2HB CYS 36 -2.133 -1.943 -1.866 251 H CYS 37 H CYS 37 -0.540 -1.606 -0.867 252 HA CYS 37 HA CYS 37 -0.948 -0.970 1.963 253 1HB CYS 37 1HB CYS 37 1.573 -1.256 0.429 254 2HB CYS 37 2HB CYS 37 1.473 0.129 1.499 255 H PHE 38 H PHE 38 -0.848 1.397 2.408 256 HA PHE 38 HA PHE 38 -1.383 2.960 -0.022 257 1HB PHE 38 1HB PHE 38 -3.420 2.588 1.348 258 2HB PHE 38 2HB PHE 38 -2.555 2.986 2.819 259 HD1 PHE 38 HD1 PHE 38 -4.120 4.351 -0.200 260 HD2 PHE 38 HD2 PHE 38 -2.135 5.288 3.432 261 HE1 PHE 38 HE1 PHE 38 -4.849 6.743 -0.419 262 HE2 PHE 38 HE2 PHE 38 -2.864 7.680 3.213 263 HZ PHE 38 HZ PHE 38 -4.211 8.379 1.290 264 H ASP 39 H ASP 39 -1.228 5.470 0.615 265 HA ASP 39 HA ASP 39 0.469 6.219 2.645 266 1HB ASP 39 1HB ASP 39 2.276 5.058 1.531 267 2HB ASP 39 2HB ASP 39 1.804 5.681 -0.037 268 H SER 40 H SER 40 0.622 8.563 2.648 269 HA SER 40 HA SER 40 -0.345 9.857 0.234 270 1HB SER 40 1HB SER 40 -1.850 11.298 1.539 271 2HB SER 40 2HB SER 40 -2.279 9.615 1.766 272 HG SER 40 HG SER 40 -0.576 11.087 3.588 273 H ARG 41 H ARG 41 2.266 9.424 1.930 274 HA ARG 41 HA ARG 41 2.901 11.850 3.086 275 1HB ARG 41 1HB ARG 41 4.104 9.421 2.990 276 2HB ARG 41 2HB ARG 41 5.065 10.219 1.761 277 1HG ARG 41 1HG ARG 41 4.633 11.795 4.265 278 2HG ARG 41 2HG ARG 41 5.603 10.347 4.452 279 1HD ARG 41 1HD ARG 41 6.179 12.300 2.193 280 2HD ARG 41 2HD ARG 41 6.799 12.601 3.804 281 HE ARG 41 HE ARG 41 7.345 9.882 2.865 282 1HH1 ARG 41 1HH1 ARG 41 8.489 13.210 2.854 283 2HH1 ARG 41 2HH1 ARG 41 10.137 12.777 2.544 284 1HH2 ARG 41 1HH2 ARG 41 9.519 9.310 2.455 285 2HH2 ARG 41 2HH2 ARG 41 10.727 10.543 2.315 286 H ILE 42 H ILE 42 3.256 10.568 -0.261 287 HA ILE 42 HA ILE 42 3.545 13.272 -1.223 288 HB ILE 42 HB ILE 42 5.544 12.114 -2.661 289 1HG1 ILE 42 1HG1 ILE 42 7.110 11.103 -1.032 290 2HG1 ILE 42 2HG1 ILE 42 5.855 11.129 0.191 291 1HG2 ILE 42 1HG2 ILE 42 5.240 14.369 -1.300 292 2HG2 ILE 42 2HG2 ILE 42 6.297 13.528 -0.141 293 3HG2 ILE 42 3HG2 ILE 42 6.842 13.790 -1.816 294 1HD1 ILE 42 1HD1 ILE 42 5.132 9.857 -2.428 295 2HD1 ILE 42 2HD1 ILE 42 6.288 8.982 -1.395 296 3HD1 ILE 42 3HD1 ILE 42 4.672 9.391 -0.772 297 HA PRO 43 HA PRO 43 1.060 11.308 -4.189 298 1HB PRO 43 1HB PRO 43 0.603 13.460 -5.810 299 2HB PRO 43 2HB PRO 43 -0.317 13.147 -4.352 300 1HG PRO 43 1HG PRO 43 1.798 15.161 -4.812 301 2HG PRO 43 2HG PRO 43 0.593 15.105 -3.541 302 1HD PRO 43 1HD PRO 43 3.369 14.422 -3.305 303 2HD PRO 43 2HD PRO 43 2.140 14.257 -2.067 304 H GLY 44 H GLY 44 3.938 13.048 -5.011 305 1HA GLY 44 1HA GLY 44 5.544 12.542 -6.509 306 2HA GLY 44 2HA GLY 44 4.229 12.512 -7.667 307 H VAL 45 H VAL 45 4.335 10.229 -4.932 308 HA VAL 45 HA VAL 45 5.230 8.133 -6.777 309 HB VAL 45 HB VAL 45 6.200 7.080 -5.024 310 1HG1 VAL 45 1HG1 VAL 45 6.094 9.986 -4.171 311 2HG1 VAL 45 2HG1 VAL 45 7.123 8.773 -3.371 312 3HG1 VAL 45 3HG1 VAL 45 7.369 9.152 -5.093 313 1HG2 VAL 45 1HG2 VAL 45 3.897 8.135 -3.422 314 2HG2 VAL 45 2HG2 VAL 45 4.509 6.471 -3.588 315 3HG2 VAL 45 3HG2 VAL 45 5.380 7.642 -2.569 316 HA PRO 46 HA PRO 46 1.396 6.146 -6.509 317 1HB PRO 46 1HB PRO 46 1.954 3.495 -6.147 318 2HB PRO 46 2HB PRO 46 2.099 4.302 -7.696 319 1HG PRO 46 1HG PRO 46 4.239 3.453 -5.841 320 2HG PRO 46 2HG PRO 46 4.358 3.861 -7.542 321 1HD PRO 46 1HD PRO 46 5.137 5.504 -5.324 322 2HD PRO 46 2HD PRO 46 5.148 5.955 -7.017 323 H TRP 47 H TRP 47 0.520 7.260 -4.728 324 HA TRP 47 HA TRP 47 0.884 6.911 -2.157 325 1HB TRP 47 1HB TRP 47 -1.596 7.230 -3.768 326 2HB TRP 47 2HB TRP 47 -1.787 6.843 -2.069 327 HD1 TRP 47 HD1 TRP 47 1.121 9.127 -3.145 328 HE1 TRP 47 HE1 TRP 47 0.792 11.586 -2.246 329 HE3 TRP 47 HE3 TRP 47 -3.606 8.420 -1.408 330 HZ2 TRP 47 HZ2 TRP 47 -1.360 12.930 -0.939 331 HZ3 TRP 47 HZ3 TRP 47 -4.750 10.357 -0.334 332 HH2 TRP 47 HH2 TRP 47 -3.704 12.552 -0.086 333 H CYS 48 H CYS 48 -1.164 4.652 -4.147 334 HA CYS 48 HA CYS 48 -1.027 2.734 -1.976 335 1HB CYS 48 1HB CYS 48 -3.148 3.361 -3.313 336 2HB CYS 48 2HB CYS 48 -2.485 2.350 -4.581 337 H PHE 49 H PHE 49 0.798 1.461 -1.962 338 HA PHE 49 HA PHE 49 1.682 0.420 -4.555 339 1HB PHE 49 1HB PHE 49 4.034 0.603 -3.425 340 2HB PHE 49 2HB PHE 49 3.308 2.113 -3.939 341 HD1 PHE 49 HD1 PHE 49 3.487 -0.092 -0.932 342 HD2 PHE 49 HD2 PHE 49 3.229 3.867 -2.438 343 HE1 PHE 49 HE1 PHE 49 3.710 0.809 1.400 344 HE2 PHE 49 HE2 PHE 49 3.452 4.768 -0.106 345 HZ PHE 49 HZ PHE 49 3.690 3.228 1.785 346 H LYS 50 H LYS 50 3.140 -1.573 -4.254 347 HA LYS 50 HA LYS 50 1.749 -3.441 -2.692 348 1HB LYS 50 1HB LYS 50 4.414 -3.586 -4.128 349 2HB LYS 50 2HB LYS 50 3.631 -4.962 -3.378 350 1HG LYS 50 1HG LYS 50 1.532 -4.060 -4.842 351 2HG LYS 50 2HG LYS 50 2.829 -3.422 -5.833 352 1HD LYS 50 1HD LYS 50 3.680 -6.039 -5.256 353 2HD LYS 50 2HD LYS 50 1.950 -6.214 -5.476 354 1HE LYS 50 1HE LYS 50 2.785 -4.469 -7.559 355 2HE LYS 50 2HE LYS 50 4.020 -5.710 -7.482 356 1HZ LYS 50 1HZ LYS 50 2.067 -7.301 -7.416 357 2HZ LYS 50 2HZ LYS 50 1.155 -6.049 -7.935 358 3HZ LYS 50 3HZ LYS 50 2.402 -6.583 -8.844 359 HA PRO 51 HA PRO 51 3.820 -3.274 1.089 360 1HB PRO 51 1HB PRO 51 3.855 -5.876 1.922 361 2HB PRO 51 2HB PRO 51 2.438 -4.852 2.037 362 1HG PRO 51 1HG PRO 51 2.996 -7.038 0.125 363 2HG PRO 51 2HG PRO 51 1.458 -6.302 0.533 364 1HD PRO 51 1HD PRO 51 3.006 -5.841 -1.837 365 2HD PRO 51 2HD PRO 51 1.529 -5.020 -1.374 366 H LEU 52 H LEU 52 5.832 -2.747 1.649 367 HA LEU 52 HA LEU 52 7.981 -3.252 0.166 368 1HB LEU 52 1HB LEU 52 8.304 -1.765 1.874 369 2HB LEU 52 2HB LEU 52 7.587 -2.810 3.085 370 HG LEU 52 HG LEU 52 10.267 -3.389 1.807 371 1HD1 LEU 52 1HD1 LEU 52 9.701 -1.856 4.359 372 2HD1 LEU 52 2HD1 LEU 52 11.300 -2.432 3.831 373 3HD1 LEU 52 3HD1 LEU 52 10.429 -1.215 2.867 374 1HD2 LEU 52 1HD2 LEU 52 8.558 -4.796 3.664 375 2HD2 LEU 52 2HD2 LEU 52 10.069 -5.320 2.882 376 3HD2 LEU 52 3HD2 LEU 52 10.126 -4.415 4.414 377 H GLN 53 H GLN 53 9.285 -4.930 -0.414 378 HA GLN 53 HA GLN 53 8.440 -7.511 0.174 379 1HB GLN 53 1HB GLN 53 10.699 -8.126 -0.922 380 2HB GLN 53 2HB GLN 53 9.560 -7.212 -1.890 381 1HG GLN 53 1HG GLN 53 11.423 -5.560 -0.239 382 2HG GLN 53 2HG GLN 53 12.190 -6.494 -1.509 383 2HE2 GLN 53 2HE2 GLN 53 10.779 -3.627 -0.767 384 1HE2 GLN 53 1HE2 GLN 53 10.302 -3.065 -2.335 385 H GLU 54 H GLU 54 8.364 -7.466 2.567 386 HA GLU 54 HA GLU 54 10.523 -6.961 4.154 387 1HB GLU 54 1HB GLU 54 9.325 -8.117 5.894 388 2HB GLU 54 2HB GLU 54 8.123 -7.356 4.871 389 1HG GLU 54 1HG GLU 54 8.268 -9.733 3.585 390 2HG GLU 54 2HG GLU 54 8.798 -10.275 5.165 391 H ALA 55 H ALA 55 12.551 -7.811 3.894 392 HA ALA 55 HA ALA 55 12.765 -10.714 3.922 393 1HB ALA 55 1HB ALA 55 14.302 -10.730 2.030 394 2HB ALA 55 2HB ALA 55 12.761 -9.997 1.525 395 3HB ALA 55 3HB ALA 55 14.169 -8.962 1.865 396 H GLU 56 H GLU 56 13.098 -8.832 6.033 397 HA GLU 56 HA GLU 56 14.524 -8.068 7.496 398 1HB GLU 56 1HB GLU 56 15.552 -10.729 6.667 399 2HB GLU 56 2HB GLU 56 16.728 -9.740 7.510 400 1HG GLU 56 1HG GLU 56 14.264 -9.439 8.934 401 2HG GLU 56 2HG GLU 56 14.423 -11.150 8.590 402 H CYS 57 H CYS 57 15.225 -6.047 6.789 403 HA CYS 57 HA CYS 57 17.148 -5.823 4.713 404 1HB CYS 57 1HB CYS 57 16.554 -3.574 6.590 405 2HB CYS 57 2HB CYS 57 16.859 -3.543 4.865 406 H THR 58 H THR 58 17.209 -4.688 8.177 407 HA THR 58 HA THR 58 18.886 -4.474 9.627 408 HB THR 58 HB THR 58 18.586 -7.036 9.349 409 HG1 THR 58 HG1 THR 58 20.141 -7.034 10.950 410 1HG2 THR 58 1HG2 THR 58 20.910 -6.471 7.509 411 2HG2 THR 58 2HG2 THR 58 21.037 -7.885 8.584 412 3HG2 THR 58 3HG2 THR 58 19.695 -7.769 7.421 413 H PHE 59 H PHE 59 21.242 -4.055 9.971 414 HA PHE 59 HA PHE 59 22.844 -2.604 9.381 415 1HB PHE 59 1HB PHE 59 22.936 -5.138 7.754 416 2HB PHE 59 2HB PHE 59 23.999 -3.869 7.178 417 HD1 PHE 59 HD1 PHE 59 23.119 -5.723 10.288 418 HD2 PHE 59 HD2 PHE 59 26.105 -3.623 8.124 419 HE1 PHE 59 HE1 PHE 59 24.823 -6.366 12.015 420 HE2 PHE 59 HE2 PHE 59 27.809 -4.267 9.851 421 HZ PHE 59 HZ PHE 59 27.147 -5.631 11.776 No H/Q in entry = 421 Start of MODEL 57 1 H GLU 1 H GLU 1 13.796 -7.939 10.579 2 HA GLU 1 HA GLU 1 15.626 -8.454 11.834 3 1HB GLU 1 1HB GLU 1 15.406 -5.572 12.743 4 2HB GLU 1 2HB GLU 1 16.335 -6.721 13.685 5 1HG GLU 1 1HG GLU 1 17.075 -7.104 10.935 6 2HG GLU 1 2HG GLU 1 17.082 -5.376 11.228 7 H GLU 2 H GLU 2 12.808 -8.961 12.084 8 HA GLU 2 HA GLU 2 12.685 -10.155 14.491 9 1HB GLU 2 1HB GLU 2 12.332 -7.329 14.845 10 2HB GLU 2 2HB GLU 2 10.775 -8.081 15.129 11 1HG GLU 2 1HG GLU 2 11.667 -9.524 16.848 12 2HG GLU 2 2HG GLU 2 13.322 -9.169 16.395 13 H TYR 3 H TYR 3 10.405 -10.955 15.013 14 HA TYR 3 HA TYR 3 9.086 -11.558 12.568 15 1HB TYR 3 1HB TYR 3 9.265 -13.108 14.520 16 2HB TYR 3 2HB TYR 3 8.524 -11.920 15.574 17 HD1 TYR 3 HD1 TYR 3 7.629 -13.481 12.269 18 HD2 TYR 3 HD2 TYR 3 6.387 -12.495 16.243 19 HE1 TYR 3 HE1 TYR 3 5.342 -14.495 11.814 20 HE2 TYR 3 HE2 TYR 3 4.105 -13.512 15.774 21 HH TYR 3 HH TYR 3 3.068 -15.026 14.356 22 H VAL 4 H VAL 4 8.304 -9.605 11.642 23 HA VAL 4 HA VAL 4 5.816 -8.740 12.812 24 HB VAL 4 HB VAL 4 8.214 -6.934 12.539 25 1HG1 VAL 4 1HG1 VAL 4 5.397 -6.311 12.042 26 2HG1 VAL 4 2HG1 VAL 4 6.110 -5.311 13.331 27 3HG1 VAL 4 3HG1 VAL 4 6.859 -5.349 11.716 28 1HG2 VAL 4 1HG2 VAL 4 6.436 -7.853 14.773 29 2HG2 VAL 4 2HG2 VAL 4 8.206 -7.674 14.721 30 3HG2 VAL 4 3HG2 VAL 4 7.170 -6.234 14.863 31 H GLY 5 H GLY 5 4.354 -8.482 11.191 32 1HA GLY 5 1HA GLY 5 4.163 -9.176 8.815 33 2HA GLY 5 2HA GLY 5 5.437 -8.023 8.474 34 H LEU 6 H LEU 6 3.668 -6.723 11.030 35 HA LEU 6 HA LEU 6 1.815 -5.374 9.195 36 1HB LEU 6 1HB LEU 6 0.568 -4.830 11.312 37 2HB LEU 6 2HB LEU 6 0.535 -6.499 10.777 38 HG LEU 6 HG LEU 6 0.801 -6.115 13.261 39 1HD1 LEU 6 1HD1 LEU 6 2.159 -7.982 11.519 40 2HD1 LEU 6 2HD1 LEU 6 3.083 -7.721 13.018 41 3HD1 LEU 6 3HD1 LEU 6 1.386 -8.250 13.100 42 1HD2 LEU 6 1HD2 LEU 6 2.403 -4.213 13.038 43 2HD2 LEU 6 2HD2 LEU 6 2.929 -5.486 14.165 44 3HD2 LEU 6 3HD2 LEU 6 3.650 -5.382 12.541 45 H SER 7 H SER 7 1.227 -3.061 10.358 46 HA SER 7 HA SER 7 1.917 -1.087 11.001 47 1HB SER 7 1HB SER 7 3.759 -0.775 12.383 48 2HB SER 7 2HB SER 7 3.522 -2.502 12.565 49 HG SER 7 HG SER 7 5.590 -2.592 11.981 50 H ALA 8 H ALA 8 4.465 0.243 10.494 51 HA ALA 8 HA ALA 8 4.173 0.767 7.760 52 1HB ALA 8 1HB ALA 8 5.248 2.072 9.857 53 2HB ALA 8 2HB ALA 8 5.688 2.444 8.173 54 3HB ALA 8 3HB ALA 8 6.741 1.400 9.158 55 H ASN 9 H ASN 9 6.276 -1.439 9.635 56 HA ASN 9 HA ASN 9 8.272 -2.018 8.065 57 1HB ASN 9 1HB ASN 9 7.759 -3.341 10.080 58 2HB ASN 9 2HB ASN 9 6.339 -4.032 9.321 59 2HD2 ASN 9 2HD2 ASN 9 6.564 -5.497 7.595 60 1HD2 ASN 9 1HD2 ASN 9 8.009 -6.421 7.355 61 H GLN 10 H GLN 10 4.826 -2.645 7.378 62 HA GLN 10 HA GLN 10 5.463 -4.227 5.069 63 1HB GLN 10 1HB GLN 10 3.428 -4.490 6.722 64 2HB GLN 10 2HB GLN 10 2.696 -3.213 5.771 65 1HG GLN 10 1HG GLN 10 2.103 -4.729 4.197 66 2HG GLN 10 2HG GLN 10 3.795 -5.075 3.896 67 2HE2 GLN 10 2HE2 GLN 10 0.989 -5.895 5.853 68 1HE2 GLN 10 1HE2 GLN 10 1.461 -7.505 6.284 69 H CYS 11 H CYS 11 3.971 -1.022 5.859 70 HA CYS 11 HA CYS 11 4.343 -0.314 3.041 71 1HB CYS 11 1HB CYS 11 2.626 1.350 4.810 72 2HB CYS 11 2HB CYS 11 2.489 1.011 3.096 73 H ALA 12 H ALA 12 6.641 -0.341 4.568 74 HA ALA 12 HA ALA 12 6.991 2.475 5.339 75 1HB ALA 12 1HB ALA 12 9.020 1.413 6.599 76 2HB ALA 12 2HB ALA 12 7.387 1.220 7.282 77 3HB ALA 12 3HB ALA 12 8.139 -0.119 6.382 78 H VAL 13 H VAL 13 7.006 2.097 2.661 79 HA VAL 13 HA VAL 13 9.729 1.487 1.854 80 HB VAL 13 HB VAL 13 7.770 2.476 -0.115 81 1HG1 VAL 13 1HG1 VAL 13 9.997 0.566 0.085 82 2HG1 VAL 13 2HG1 VAL 13 8.632 -0.023 -0.893 83 3HG1 VAL 13 3HG1 VAL 13 9.421 1.519 -1.304 84 1HG2 VAL 13 1HG2 VAL 13 7.215 0.056 1.599 85 2HG2 VAL 13 2HG2 VAL 13 6.109 1.355 1.092 86 3HG2 VAL 13 3HG2 VAL 13 6.654 0.138 -0.088 87 HA PRO 14 HA PRO 14 10.881 5.649 1.690 88 1HB PRO 14 1HB PRO 14 12.934 5.563 -0.113 89 2HB PRO 14 2HB PRO 14 13.114 5.101 1.568 90 1HG PRO 14 1HG PRO 14 12.948 3.369 -0.822 91 2HG PRO 14 2HG PRO 14 13.543 2.976 0.778 92 1HD PRO 14 1HD PRO 14 11.009 2.232 -0.341 93 2HD PRO 14 2HD PRO 14 11.557 1.940 1.298 94 H ALA 15 H ALA 15 9.145 4.231 -0.635 95 HA ALA 15 HA ALA 15 7.715 5.256 -2.045 96 1HB ALA 15 1HB ALA 15 9.280 7.777 -2.336 97 2HB ALA 15 2HB ALA 15 7.528 7.533 -2.137 98 3HB ALA 15 3HB ALA 15 8.604 7.451 -0.722 99 H LYS 16 H LYS 16 11.231 5.272 -2.305 100 HA LYS 16 HA LYS 16 11.115 5.388 -5.200 101 1HB LYS 16 1HB LYS 16 13.536 5.432 -5.087 102 2HB LYS 16 2HB LYS 16 12.861 6.632 -4.004 103 1HG LYS 16 1HG LYS 16 14.511 5.605 -2.666 104 2HG LYS 16 2HG LYS 16 13.046 4.791 -2.154 105 1HD LYS 16 1HD LYS 16 13.711 2.773 -3.012 106 2HD LYS 16 2HD LYS 16 14.333 3.491 -4.484 107 1HE LYS 16 1HE LYS 16 16.389 2.977 -3.617 108 2HE LYS 16 2HE LYS 16 16.173 4.431 -2.663 109 1HZ LYS 16 1HZ LYS 16 14.896 2.742 -1.147 110 2HZ LYS 16 2HZ LYS 16 15.905 1.672 -1.857 111 3HZ LYS 16 3HZ LYS 16 16.512 2.943 -1.032 112 H ASP 17 H ASP 17 10.115 3.133 -3.167 113 HA ASP 17 HA ASP 17 11.247 1.019 -4.813 114 1HB ASP 17 1HB ASP 17 11.600 1.378 -1.985 115 2HB ASP 17 2HB ASP 17 10.506 0.024 -2.185 116 H ARG 18 H ARG 18 8.660 2.737 -4.624 117 HA ARG 18 HA ARG 18 6.691 0.967 -3.654 118 1HB ARG 18 1HB ARG 18 6.229 3.288 -5.579 119 2HB ARG 18 2HB ARG 18 5.104 2.639 -4.403 120 1HG ARG 18 1HG ARG 18 7.760 3.765 -3.471 121 2HG ARG 18 2HG ARG 18 6.447 4.858 -3.861 122 1HD ARG 18 1HD ARG 18 5.172 2.936 -2.283 123 2HD ARG 18 2HD ARG 18 6.754 3.042 -1.538 124 HE ARG 18 HE ARG 18 5.469 5.635 -2.132 125 1HH1 ARG 18 1HH1 ARG 18 6.072 3.123 0.258 126 2HH1 ARG 18 2HH1 ARG 18 5.728 4.149 1.611 127 1HH2 ARG 18 1HH2 ARG 18 5.014 6.988 -0.348 128 2HH2 ARG 18 2HH2 ARG 18 5.122 6.362 1.264 129 H VAL 19 H VAL 19 5.666 -0.696 -4.753 130 HA VAL 19 HA VAL 19 6.457 -1.132 -7.504 131 HB VAL 19 HB VAL 19 4.790 -2.808 -5.616 132 1HG1 VAL 19 1HG1 VAL 19 6.119 -3.448 -8.269 133 2HG1 VAL 19 2HG1 VAL 19 5.437 -4.666 -7.165 134 3HG1 VAL 19 3HG1 VAL 19 4.377 -3.442 -7.905 135 1HG2 VAL 19 1HG2 VAL 19 7.315 -2.198 -5.078 136 2HG2 VAL 19 2HG2 VAL 19 6.685 -3.845 -4.834 137 3HG2 VAL 19 3HG2 VAL 19 7.634 -3.462 -6.290 138 H ASP 20 H ASP 20 4.126 0.683 -5.944 139 HA ASP 20 HA ASP 20 2.084 1.336 -6.398 140 1HB ASP 20 1HB ASP 20 3.151 2.668 -8.058 141 2HB ASP 20 2HB ASP 20 3.478 1.289 -9.089 142 H CYS 21 H CYS 21 0.742 -0.496 -5.848 143 HA CYS 21 HA CYS 21 0.462 -2.712 -7.546 144 1HB CYS 21 1HB CYS 21 -1.819 -2.707 -6.029 145 2HB CYS 21 2HB CYS 21 -0.290 -3.444 -5.594 146 H GLY 22 H GLY 22 -0.686 0.551 -7.649 147 1HA GLY 22 1HA GLY 22 -2.144 0.102 -10.054 148 2HA GLY 22 2HA GLY 22 -1.968 1.608 -9.176 149 H TYR 23 H TYR 23 -3.643 2.363 -7.882 150 HA TYR 23 HA TYR 23 -6.053 0.714 -7.904 151 1HB TYR 23 1HB TYR 23 -4.426 1.839 -5.582 152 2HB TYR 23 2HB TYR 23 -6.169 1.796 -5.404 153 HD1 TYR 23 HD1 TYR 23 -7.350 -0.481 -5.706 154 HD2 TYR 23 HD2 TYR 23 -3.127 -0.079 -5.148 155 HE1 TYR 23 HE1 TYR 23 -7.208 -2.911 -4.974 156 HE2 TYR 23 HE2 TYR 23 -3.000 -2.511 -4.418 157 HH TYR 23 HH TYR 23 -5.269 -4.179 -3.311 158 HA PRO 24 HA PRO 24 -7.805 4.572 -8.801 159 1HB PRO 24 1HB PRO 24 -10.451 4.000 -8.427 160 2HB PRO 24 2HB PRO 24 -9.579 3.587 -9.890 161 1HG PRO 24 1HG PRO 24 -10.440 1.818 -7.684 162 2HG PRO 24 2HG PRO 24 -9.961 1.387 -9.313 163 1HD PRO 24 1HD PRO 24 -8.386 1.111 -6.931 164 2HD PRO 24 2HD PRO 24 -7.867 0.789 -8.574 165 H HIS 25 H HIS 25 -10.124 3.561 -6.385 166 HA HIS 25 HA HIS 25 -9.696 6.071 -5.060 167 1HB HIS 25 1HB HIS 25 -11.647 5.558 -3.817 168 2HB HIS 25 2HB HIS 25 -11.951 5.067 -5.472 169 HD1 HIS 25 HD1 HIS 25 -13.527 3.872 -3.040 170 HD2 HIS 25 HD2 HIS 25 -10.188 2.088 -4.847 171 HE1 HIS 25 HE1 HIS 25 -13.672 1.381 -2.507 172 HE2 HIS 25 HE2 HIS 25 -11.624 0.330 -3.689 173 H VAL 26 H VAL 26 -7.485 5.817 -4.342 174 HA VAL 26 HA VAL 26 -7.024 3.680 -2.423 175 HB VAL 26 HB VAL 26 -4.696 4.554 -2.489 176 1HG1 VAL 26 1HG1 VAL 26 -6.025 3.748 -5.092 177 2HG1 VAL 26 2HG1 VAL 26 -4.260 3.837 -4.874 178 3HG1 VAL 26 3HG1 VAL 26 -5.221 2.699 -3.900 179 1HG2 VAL 26 1HG2 VAL 26 -5.900 6.830 -3.611 180 2HG2 VAL 26 2HG2 VAL 26 -4.160 6.517 -3.408 181 3HG2 VAL 26 3HG2 VAL 26 -4.969 6.089 -4.934 182 H THR 27 H THR 27 -6.722 4.005 -0.218 183 HA THR 27 HA THR 27 -6.588 6.702 0.807 184 HB THR 27 HB THR 27 -8.715 6.730 1.854 185 HG1 THR 27 HG1 THR 27 -9.862 4.585 2.006 186 1HG2 THR 27 1HG2 THR 27 -9.143 5.027 -0.658 187 2HG2 THR 27 2HG2 THR 27 -10.430 5.880 0.228 188 3HG2 THR 27 3HG2 THR 27 -9.154 6.806 -0.597 189 HA PRO 28 HA PRO 28 -4.587 4.728 4.052 190 1HB PRO 28 1HB PRO 28 -5.294 6.131 6.288 191 2HB PRO 28 2HB PRO 28 -4.107 6.704 5.133 192 1HG PRO 28 1HG PRO 28 -6.895 7.605 5.528 193 2HG PRO 28 2HG PRO 28 -5.584 8.422 4.701 194 1HD PRO 28 1HD PRO 28 -7.779 7.032 3.484 195 2HD PRO 28 2HD PRO 28 -6.407 7.749 2.662 196 H LYS 29 H LYS 29 -6.910 3.364 3.241 197 HA LYS 29 HA LYS 29 -7.107 1.558 5.334 198 1HB LYS 29 1HB LYS 29 -8.394 3.655 6.247 199 2HB LYS 29 2HB LYS 29 -9.676 3.110 5.185 200 1HG LYS 29 1HG LYS 29 -8.332 1.134 7.052 201 2HG LYS 29 2HG LYS 29 -9.562 2.216 7.674 202 1HD LYS 29 1HD LYS 29 -10.180 0.713 5.134 203 2HD LYS 29 2HD LYS 29 -10.178 -0.194 6.633 204 1HE LYS 29 1HE LYS 29 -11.762 1.545 7.612 205 2HE LYS 29 2HE LYS 29 -11.845 2.294 6.030 206 1HZ LYS 29 1HZ LYS 29 -12.540 0.054 5.209 207 2HZ LYS 29 2HZ LYS 29 -12.721 -0.402 6.767 208 3HZ LYS 29 3HZ LYS 29 -13.623 0.818 6.163 209 H GLU 30 H GLU 30 -8.807 3.172 2.595 210 HA GLU 30 HA GLU 30 -10.095 0.781 1.828 211 1HB GLU 30 1HB GLU 30 -10.963 3.074 1.320 212 2HB GLU 30 2HB GLU 30 -9.609 3.340 0.240 213 1HG GLU 30 1HG GLU 30 -10.647 2.228 -1.444 214 2HG GLU 30 2HG GLU 30 -10.876 0.812 -0.436 215 H CYS 31 H CYS 31 -7.124 2.553 0.821 216 HA CYS 31 HA CYS 31 -6.573 0.891 -1.373 217 1HB CYS 31 1HB CYS 31 -5.463 2.876 -1.527 218 2HB CYS 31 2HB CYS 31 -5.111 2.956 0.188 219 H ASN 32 H ASN 32 -5.912 0.793 2.141 220 HA ASN 32 HA ASN 32 -4.116 -1.410 1.840 221 1HB ASN 32 1HB ASN 32 -3.444 -0.696 3.902 222 2HB ASN 32 2HB ASN 32 -4.682 0.543 3.850 223 2HD2 ASN 32 2HD2 ASN 32 -6.950 -0.269 4.330 224 1HD2 ASN 32 1HD2 ASN 32 -7.140 -1.332 5.684 225 H ASN 33 H ASN 33 -7.455 -0.971 1.694 226 HA ASN 33 HA ASN 33 -8.073 -3.393 3.148 227 1HB ASN 33 1HB ASN 33 -9.612 -1.558 3.573 228 2HB ASN 33 2HB ASN 33 -9.772 -1.202 1.864 229 2HD2 ASN 33 2HD2 ASN 33 -10.541 -3.448 4.439 230 1HD2 ASN 33 1HD2 ASN 33 -11.872 -4.251 3.675 231 H ARG 34 H ARG 34 -8.130 -1.856 -0.116 232 HA ARG 34 HA ARG 34 -9.506 -3.810 -1.449 233 1HB ARG 34 1HB ARG 34 -8.376 -1.423 -2.143 234 2HB ARG 34 2HB ARG 34 -7.197 -2.499 -2.865 235 1HG ARG 34 1HG ARG 34 -9.049 -1.882 -4.447 236 2HG ARG 34 2HG ARG 34 -8.917 -3.612 -4.198 237 1HD ARG 34 1HD ARG 34 -10.918 -3.744 -3.012 238 2HD ARG 34 2HD ARG 34 -10.749 -2.140 -2.328 239 HE ARG 34 HE ARG 34 -11.098 -1.899 -5.166 240 1HH1 ARG 34 1HH1 ARG 34 -12.906 -2.760 -2.273 241 2HH1 ARG 34 2HH1 ARG 34 -14.435 -2.277 -2.929 242 1HH2 ARG 34 1HH2 ARG 34 -13.114 -1.262 -6.033 243 2HH2 ARG 34 2HH2 ARG 34 -14.553 -1.419 -5.082 244 H GLY 35 H GLY 35 -6.265 -3.796 -0.109 245 1HA GLY 35 1HA GLY 35 -5.704 -6.366 -1.464 246 2HA GLY 35 2HA GLY 35 -5.293 -6.003 0.201 247 H CYS 36 H CYS 36 -3.808 -4.023 0.553 248 HA CYS 36 HA CYS 36 -1.435 -4.419 -0.723 249 1HB CYS 36 1HB CYS 36 -3.097 -3.158 -2.531 250 2HB CYS 36 2HB CYS 36 -2.207 -1.819 -1.833 251 H CYS 37 H CYS 37 -0.609 -1.537 -0.752 252 HA CYS 37 HA CYS 37 -1.133 -0.895 2.058 253 1HB CYS 37 1HB CYS 37 1.455 -1.177 0.613 254 2HB CYS 37 2HB CYS 37 1.317 0.136 1.765 255 H PHE 38 H PHE 38 -1.186 1.422 2.515 256 HA PHE 38 HA PHE 38 -1.511 3.022 0.074 257 1HB PHE 38 1HB PHE 38 -3.611 2.676 1.352 258 2HB PHE 38 2HB PHE 38 -2.804 3.052 2.862 259 HD1 PHE 38 HD1 PHE 38 -4.111 4.484 -0.267 260 HD2 PHE 38 HD2 PHE 38 -2.480 5.318 3.561 261 HE1 PHE 38 HE1 PHE 38 -4.792 6.888 -0.501 262 HE2 PHE 38 HE2 PHE 38 -3.161 7.723 3.327 263 HZ PHE 38 HZ PHE 38 -4.309 8.479 1.299 264 H ASP 39 H ASP 39 -1.317 5.518 0.688 265 HA ASP 39 HA ASP 39 0.316 6.218 2.807 266 1HB ASP 39 1HB ASP 39 2.140 5.070 1.713 267 2HB ASP 39 2HB ASP 39 1.702 5.717 0.144 268 H SER 40 H SER 40 0.433 8.552 2.885 269 HA SER 40 HA SER 40 -0.488 9.900 0.477 270 1HB SER 40 1HB SER 40 -1.955 11.348 1.819 271 2HB SER 40 2HB SER 40 -2.411 9.668 2.022 272 HG SER 40 HG SER 40 -1.234 11.467 3.880 273 H ARG 41 H ARG 41 2.129 9.404 2.156 274 HA ARG 41 HA ARG 41 2.822 11.785 3.347 275 1HB ARG 41 1HB ARG 41 3.999 9.355 3.154 276 2HB ARG 41 2HB ARG 41 4.931 10.169 1.913 277 1HG ARG 41 1HG ARG 41 4.932 12.040 3.988 278 2HG ARG 41 2HG ARG 41 5.003 10.518 4.854 279 1HD ARG 41 1HD ARG 41 7.224 10.419 4.389 280 2HD ARG 41 2HD ARG 41 6.820 10.200 2.698 281 HE ARG 41 HE ARG 41 7.377 12.444 2.283 282 1HH1 ARG 41 1HH1 ARG 41 7.065 11.931 5.751 283 2HH1 ARG 41 2HH1 ARG 41 7.699 13.488 6.167 284 1HH2 ARG 41 1HH2 ARG 41 8.213 14.498 2.832 285 2HH2 ARG 41 2HH2 ARG 41 8.356 14.959 4.496 286 H ILE 42 H ILE 42 3.401 10.538 -0.013 287 HA ILE 42 HA ILE 42 3.592 13.300 -0.909 288 HB ILE 42 HB ILE 42 5.555 12.124 -2.401 289 1HG1 ILE 42 1HG1 ILE 42 7.125 11.093 -0.778 290 2HG1 ILE 42 2HG1 ILE 42 5.868 11.114 0.442 291 1HG2 ILE 42 1HG2 ILE 42 5.448 14.399 -1.339 292 2HG2 ILE 42 2HG2 ILE 42 6.038 13.653 0.166 293 3HG2 ILE 42 3HG2 ILE 42 7.048 13.618 -1.300 294 1HD1 ILE 42 1HD1 ILE 42 4.980 9.910 -2.113 295 2HD1 ILE 42 2HD1 ILE 42 6.325 9.039 -1.339 296 3HD1 ILE 42 3HD1 ILE 42 4.806 9.302 -0.449 297 HA PRO 43 HA PRO 43 1.068 11.515 -3.946 298 1HB PRO 43 1HB PRO 43 0.775 13.690 -5.574 299 2HB PRO 43 2HB PRO 43 -0.182 13.440 -4.128 300 1HG PRO 43 1HG PRO 43 2.065 15.310 -4.562 301 2HG PRO 43 2HG PRO 43 0.843 15.336 -3.307 302 1HD PRO 43 1HD PRO 43 3.565 14.473 -3.035 303 2HD PRO 43 2HD PRO 43 2.312 14.391 -1.812 304 H GLY 44 H GLY 44 3.973 13.220 -4.863 305 1HA GLY 44 1HA GLY 44 5.598 12.537 -6.289 306 2HA GLY 44 2HA GLY 44 4.296 12.630 -7.459 307 H VAL 45 H VAL 45 4.866 10.321 -4.713 308 HA VAL 45 HA VAL 45 5.390 8.203 -6.613 309 HB VAL 45 HB VAL 45 6.285 7.061 -4.865 310 1HG1 VAL 45 1HG1 VAL 45 7.053 9.633 -5.016 311 2HG1 VAL 45 2HG1 VAL 45 6.500 9.602 -3.325 312 3HG1 VAL 45 3HG1 VAL 45 7.766 8.475 -3.867 313 1HG2 VAL 45 1HG2 VAL 45 4.161 8.362 -3.161 314 2HG2 VAL 45 2HG2 VAL 45 4.451 6.634 -3.475 315 3HG2 VAL 45 3HG2 VAL 45 5.562 7.546 -2.425 316 HA PRO 46 HA PRO 46 1.470 6.388 -6.391 317 1HB PRO 46 1HB PRO 46 1.916 3.706 -6.115 318 2HB PRO 46 2HB PRO 46 2.088 4.554 -7.639 319 1HG PRO 46 1HG PRO 46 4.198 3.557 -5.825 320 2HG PRO 46 2HG PRO 46 4.326 4.012 -7.513 321 1HD PRO 46 1HD PRO 46 5.186 5.550 -5.250 322 2HD PRO 46 2HD PRO 46 5.208 6.053 -6.928 323 H TRP 47 H TRP 47 0.547 7.420 -4.619 324 HA TRP 47 HA TRP 47 0.913 7.054 -2.050 325 1HB TRP 47 1HB TRP 47 -1.560 7.362 -3.666 326 2HB TRP 47 2HB TRP 47 -1.764 6.932 -1.980 327 HD1 TRP 47 HD1 TRP 47 1.129 9.277 -2.946 328 HE1 TRP 47 HE1 TRP 47 0.749 11.712 -2.002 329 HE3 TRP 47 HE3 TRP 47 -3.626 8.476 -1.334 330 HZ2 TRP 47 HZ2 TRP 47 -1.449 13.001 -0.716 331 HZ3 TRP 47 HZ3 TRP 47 -4.819 10.375 -0.245 332 HH2 TRP 47 HH2 TRP 47 -3.806 12.576 0.074 333 H CYS 48 H CYS 48 -1.000 4.753 -4.116 334 HA CYS 48 HA CYS 48 -0.920 2.835 -1.942 335 1HB CYS 48 1HB CYS 48 -2.984 3.409 -3.399 336 2HB CYS 48 2HB CYS 48 -2.228 2.399 -4.616 337 H PHE 49 H PHE 49 0.561 1.161 -1.919 338 HA PHE 49 HA PHE 49 1.707 0.289 -4.430 339 1HB PHE 49 1HB PHE 49 4.025 0.518 -3.242 340 2HB PHE 49 2HB PHE 49 3.299 2.011 -3.803 341 HD1 PHE 49 HD1 PHE 49 3.503 -0.132 -0.759 342 HD2 PHE 49 HD2 PHE 49 3.078 3.787 -2.329 343 HE1 PHE 49 HE1 PHE 49 3.656 0.814 1.561 344 HE2 PHE 49 HE2 PHE 49 3.231 4.733 -0.010 345 HZ PHE 49 HZ PHE 49 3.518 3.235 1.908 346 H LYS 50 H LYS 50 3.137 -1.698 -4.072 347 HA LYS 50 HA LYS 50 1.730 -3.516 -2.449 348 1HB LYS 50 1HB LYS 50 4.382 -3.765 -3.900 349 2HB LYS 50 2HB LYS 50 3.520 -5.099 -3.160 350 1HG LYS 50 1HG LYS 50 1.519 -3.926 -4.688 351 2HG LYS 50 2HG LYS 50 2.933 -3.637 -5.681 352 1HD LYS 50 1HD LYS 50 3.257 -6.302 -4.835 353 2HD LYS 50 2HD LYS 50 1.533 -6.168 -5.116 354 1HE LYS 50 1HE LYS 50 2.778 -4.817 -7.301 355 2HE LYS 50 2HE LYS 50 3.701 -6.287 -7.065 356 1HZ LYS 50 1HZ LYS 50 1.563 -7.480 -7.059 357 2HZ LYS 50 2HZ LYS 50 0.798 -6.093 -7.458 358 3HZ LYS 50 3HZ LYS 50 1.889 -6.748 -8.482 359 HA PRO 51 HA PRO 51 3.907 -3.318 1.272 360 1HB PRO 51 1HB PRO 51 3.993 -5.911 2.128 361 2HB PRO 51 2HB PRO 51 2.567 -4.902 2.270 362 1HG PRO 51 1HG PRO 51 3.100 -7.100 0.366 363 2HG PRO 51 2HG PRO 51 1.566 -6.377 0.807 364 1HD PRO 51 1HD PRO 51 3.047 -5.922 -1.607 365 2HD PRO 51 2HD PRO 51 1.572 -5.114 -1.114 366 H LEU 52 H LEU 52 5.926 -2.715 1.698 367 HA LEU 52 HA LEU 52 8.037 -3.231 0.188 368 1HB LEU 52 1HB LEU 52 8.215 -1.698 1.954 369 2HB LEU 52 2HB LEU 52 7.837 -2.904 3.168 370 HG LEU 52 HG LEU 52 10.372 -2.921 1.511 371 1HD1 LEU 52 1HD1 LEU 52 9.720 -1.048 3.444 372 2HD1 LEU 52 2HD1 LEU 52 10.677 -2.256 4.334 373 3HD1 LEU 52 3HD1 LEU 52 11.356 -1.472 2.887 374 1HD2 LEU 52 1HD2 LEU 52 9.173 -4.798 3.371 375 2HD2 LEU 52 2HD2 LEU 52 10.584 -4.987 2.303 376 3HD2 LEU 52 3HD2 LEU 52 10.782 -4.268 3.919 377 H GLN 53 H GLN 53 9.327 -4.906 -0.422 378 HA GLN 53 HA GLN 53 8.542 -7.486 0.233 379 1HB GLN 53 1HB GLN 53 10.849 -8.042 -0.884 380 2HB GLN 53 2HB GLN 53 9.593 -7.294 -1.851 381 1HG GLN 53 1HG GLN 53 11.356 -5.374 -0.399 382 2HG GLN 53 2HG GLN 53 12.167 -6.329 -1.623 383 2HE2 GLN 53 2HE2 GLN 53 10.875 -3.470 -1.167 384 1HE2 GLN 53 1HE2 GLN 53 10.182 -3.101 -2.711 385 H GLU 54 H GLU 54 8.537 -7.378 2.634 386 HA GLU 54 HA GLU 54 10.670 -6.809 4.184 387 1HB GLU 54 1HB GLU 54 9.529 -7.910 5.922 388 2HB GLU 54 2HB GLU 54 8.240 -7.520 4.800 389 1HG GLU 54 1HG GLU 54 8.695 -9.887 3.768 390 2HG GLU 54 2HG GLU 54 9.587 -10.209 5.241 391 H ALA 55 H ALA 55 12.740 -7.559 4.201 392 HA ALA 55 HA ALA 55 13.226 -10.377 4.201 393 1HB ALA 55 1HB ALA 55 13.416 -10.568 1.954 394 2HB ALA 55 2HB ALA 55 14.944 -9.676 2.148 395 3HB ALA 55 3HB ALA 55 13.453 -8.805 1.717 396 H GLU 56 H GLU 56 13.625 -8.661 6.251 397 HA GLU 56 HA GLU 56 15.080 -7.542 7.470 398 1HB GLU 56 1HB GLU 56 15.883 -10.206 7.058 399 2HB GLU 56 2HB GLU 56 17.371 -9.293 6.901 400 1HG GLU 56 1HG GLU 56 17.262 -9.701 9.224 401 2HG GLU 56 2HG GLU 56 16.629 -8.072 9.093 402 H CYS 57 H CYS 57 14.917 -6.240 5.012 403 HA CYS 57 HA CYS 57 17.715 -5.474 4.603 404 1HB CYS 57 1HB CYS 57 16.239 -6.719 2.703 405 2HB CYS 57 2HB CYS 57 15.827 -5.051 2.362 406 H THR 58 H THR 58 17.631 -3.122 3.432 407 HA THR 58 HA THR 58 15.440 -1.455 3.917 408 HB THR 58 HB THR 58 15.865 -1.843 6.302 409 HG1 THR 58 HG1 THR 58 17.203 0.600 5.382 410 1HG2 THR 58 1HG2 THR 58 18.734 -1.304 5.469 411 2HG2 THR 58 2HG2 THR 58 18.196 -0.840 7.101 412 3HG2 THR 58 3HG2 THR 58 18.111 -2.542 6.586 413 H PHE 59 H PHE 59 16.090 0.926 3.724 414 HA PHE 59 HA PHE 59 17.324 1.401 1.421 415 1HB PHE 59 1HB PHE 59 16.276 3.225 2.579 416 2HB PHE 59 2HB PHE 59 17.119 2.876 4.075 417 HD1 PHE 59 HD1 PHE 59 18.167 3.695 0.576 418 HD2 PHE 59 HD2 PHE 59 18.540 4.559 4.714 419 HE1 PHE 59 HE1 PHE 59 19.843 5.488 0.051 420 HE2 PHE 59 HE2 PHE 59 20.216 6.352 4.189 421 HZ PHE 59 HZ PHE 59 20.847 6.795 1.863 No H/Q in entry = 421 Start of MODEL 58 1 H GLU 1 H GLU 1 8.040 -13.664 19.246 2 HA GLU 1 HA GLU 1 10.003 -11.732 20.108 3 1HB GLU 1 1HB GLU 1 10.122 -14.152 18.267 4 2HB GLU 1 2HB GLU 1 11.472 -13.049 18.446 5 1HG GLU 1 1HG GLU 1 10.771 -13.560 21.098 6 2HG GLU 1 2HG GLU 1 10.457 -15.102 20.327 7 H GLU 2 H GLU 2 8.572 -9.937 19.223 8 HA GLU 2 HA GLU 2 8.206 -8.383 17.752 9 1HB GLU 2 1HB GLU 2 10.606 -9.716 16.515 10 2HB GLU 2 2HB GLU 2 9.747 -8.524 15.559 11 1HG GLU 2 1HG GLU 2 9.919 -7.228 18.000 12 2HG GLU 2 2HG GLU 2 11.408 -8.151 18.002 13 H TYR 3 H TYR 3 6.478 -8.118 16.375 14 HA TYR 3 HA TYR 3 5.252 -10.417 15.282 15 1HB TYR 3 1HB TYR 3 4.598 -7.815 16.034 16 2HB TYR 3 2HB TYR 3 4.658 -7.623 14.293 17 HD1 TYR 3 HD1 TYR 3 3.120 -9.796 16.930 18 HD2 TYR 3 HD2 TYR 3 2.767 -8.118 13.010 19 HE1 TYR 3 HE1 TYR 3 0.757 -10.715 16.742 20 HE2 TYR 3 HE2 TYR 3 0.405 -9.043 12.835 21 HH TYR 3 HH TYR 3 -0.741 -11.400 14.592 22 H VAL 4 H VAL 4 4.252 -9.476 12.792 23 HA VAL 4 HA VAL 4 6.527 -8.911 11.119 24 HB VAL 4 HB VAL 4 6.860 -11.249 11.346 25 1HG1 VAL 4 1HG1 VAL 4 3.917 -11.344 11.367 26 2HG1 VAL 4 2HG1 VAL 4 4.679 -12.629 10.399 27 3HG1 VAL 4 3HG1 VAL 4 5.109 -12.435 12.115 28 1HG2 VAL 4 1HG2 VAL 4 5.639 -10.304 8.780 29 2HG2 VAL 4 2HG2 VAL 4 7.308 -10.808 9.136 30 3HG2 VAL 4 3HG2 VAL 4 6.029 -12.032 8.951 31 H GLY 5 H GLY 5 5.075 -6.995 10.956 32 1HA GLY 5 1HA GLY 5 2.660 -7.523 9.348 33 2HA GLY 5 2HA GLY 5 3.894 -6.427 8.760 34 H LEU 6 H LEU 6 3.693 -6.466 12.217 35 HA LEU 6 HA LEU 6 1.533 -4.779 12.659 36 1HB LEU 6 1HB LEU 6 3.393 -6.109 14.173 37 2HB LEU 6 2HB LEU 6 3.839 -4.436 14.442 38 HG LEU 6 HG LEU 6 1.222 -5.799 15.073 39 1HD1 LEU 6 1HD1 LEU 6 3.158 -5.893 16.680 40 2HD1 LEU 6 2HD1 LEU 6 3.015 -4.126 16.844 41 3HD1 LEU 6 3HD1 LEU 6 1.662 -5.177 17.325 42 1HD2 LEU 6 1HD2 LEU 6 1.723 -2.926 14.510 43 2HD2 LEU 6 2HD2 LEU 6 0.240 -3.895 14.339 44 3HD2 LEU 6 3HD2 LEU 6 0.741 -3.309 15.943 45 H SER 7 H SER 7 1.237 -2.560 12.636 46 HA SER 7 HA SER 7 1.670 -0.443 12.315 47 1HB SER 7 1HB SER 7 3.775 0.488 12.679 48 2HB SER 7 2HB SER 7 3.960 -1.061 13.477 49 HG SER 7 HG SER 7 5.434 -0.065 11.460 50 H ALA 8 H ALA 8 3.789 0.661 10.475 51 HA ALA 8 HA ALA 8 2.494 -0.140 8.000 52 1HB ALA 8 1HB ALA 8 3.905 2.239 9.075 53 2HB ALA 8 2HB ALA 8 4.219 1.885 7.359 54 3HB ALA 8 3HB ALA 8 2.550 2.134 7.925 55 H ASN 9 H ASN 9 4.609 -1.743 9.638 56 HA ASN 9 HA ASN 9 7.036 -1.766 8.600 57 1HB ASN 9 1HB ASN 9 5.455 -3.585 10.024 58 2HB ASN 9 2HB ASN 9 5.844 -4.493 8.576 59 2HD2 ASN 9 2HD2 ASN 9 8.133 -4.518 7.900 60 1HD2 ASN 9 1HD2 ASN 9 9.366 -4.608 9.113 61 H GLN 10 H GLN 10 4.078 -3.305 7.148 62 HA GLN 10 HA GLN 10 5.424 -4.275 4.898 63 1HB GLN 10 1HB GLN 10 3.026 -4.464 3.977 64 2HB GLN 10 2HB GLN 10 3.375 -5.340 5.454 65 1HG GLN 10 1HG GLN 10 2.546 -2.646 6.145 66 2HG GLN 10 2HG GLN 10 1.377 -3.324 5.030 67 2HE2 GLN 10 2HE2 GLN 10 1.346 -2.725 7.958 68 1HE2 GLN 10 1HE2 GLN 10 0.814 -4.175 8.741 69 H CYS 11 H CYS 11 3.775 -1.203 5.692 70 HA CYS 11 HA CYS 11 4.325 -0.285 2.971 71 1HB CYS 11 1HB CYS 11 2.715 1.373 4.836 72 2HB CYS 11 2HB CYS 11 2.567 1.151 3.104 73 H ALA 12 H ALA 12 6.546 -0.643 4.659 74 HA ALA 12 HA ALA 12 7.088 2.040 5.708 75 1HB ALA 12 1HB ALA 12 9.043 0.808 6.796 76 2HB ALA 12 2HB ALA 12 7.420 0.346 7.364 77 3HB ALA 12 3HB ALA 12 8.295 -0.700 6.219 78 H VAL 13 H VAL 13 6.966 1.870 2.925 79 HA VAL 13 HA VAL 13 9.734 1.535 2.065 80 HB VAL 13 HB VAL 13 7.758 2.336 0.071 81 1HG1 VAL 13 1HG1 VAL 13 10.115 0.717 0.313 82 2HG1 VAL 13 2HG1 VAL 13 8.810 -0.266 -0.394 83 3HG1 VAL 13 3HG1 VAL 13 9.281 1.271 -1.159 84 1HG2 VAL 13 1HG2 VAL 13 7.189 -0.016 1.863 85 2HG2 VAL 13 2HG2 VAL 13 6.072 1.205 1.207 86 3HG2 VAL 13 3HG2 VAL 13 6.731 -0.062 0.144 87 HA PRO 14 HA PRO 14 10.386 5.801 1.875 88 1HB PRO 14 1HB PRO 14 12.171 6.043 -0.180 89 2HB PRO 14 2HB PRO 14 12.629 5.529 1.431 90 1HG PRO 14 1HG PRO 14 12.334 3.902 -1.020 91 2HG PRO 14 2HG PRO 14 13.181 3.509 0.463 92 1HD PRO 14 1HD PRO 14 10.618 2.521 -0.362 93 2HD PRO 14 2HD PRO 14 11.414 2.221 1.171 94 H ALA 15 H ALA 15 10.176 4.703 -1.484 95 HA ALA 15 HA ALA 15 7.801 5.667 -2.175 96 1HB ALA 15 1HB ALA 15 9.657 7.921 -1.610 97 2HB ALA 15 2HB ALA 15 7.878 7.869 -1.588 98 3HB ALA 15 3HB ALA 15 8.744 8.037 -3.134 99 H LYS 16 H LYS 16 11.252 5.375 -2.832 100 HA LYS 16 HA LYS 16 10.793 5.317 -5.697 101 1HB LYS 16 1HB LYS 16 13.199 5.217 -5.882 102 2HB LYS 16 2HB LYS 16 12.748 6.509 -4.788 103 1HG LYS 16 1HG LYS 16 14.397 5.504 -3.501 104 2HG LYS 16 2HG LYS 16 13.012 4.595 -2.931 105 1HD LYS 16 1HD LYS 16 13.624 3.016 -5.023 106 2HD LYS 16 2HD LYS 16 15.210 3.731 -4.808 107 1HE LYS 16 1HE LYS 16 14.962 3.107 -2.289 108 2HE LYS 16 2HE LYS 16 13.608 2.112 -2.786 109 1HZ LYS 16 1HZ LYS 16 15.208 1.122 -4.430 110 2HZ LYS 16 2HZ LYS 16 16.407 1.853 -3.598 111 3HZ LYS 16 3HZ LYS 16 15.461 0.744 -2.862 112 H ASP 17 H ASP 17 10.466 3.228 -3.059 113 HA ASP 17 HA ASP 17 11.179 0.940 -4.709 114 1HB ASP 17 1HB ASP 17 11.365 1.554 -1.847 115 2HB ASP 17 2HB ASP 17 10.470 0.069 -2.100 116 H ARG 18 H ARG 18 8.643 2.841 -4.496 117 HA ARG 18 HA ARG 18 6.643 1.121 -3.483 118 1HB ARG 18 1HB ARG 18 6.172 3.492 -5.339 119 2HB ARG 18 2HB ARG 18 5.099 2.870 -4.101 120 1HG ARG 18 1HG ARG 18 7.849 3.953 -3.382 121 2HG ARG 18 2HG ARG 18 6.480 5.030 -3.575 122 1HD ARG 18 1HD ARG 18 5.412 3.039 -1.946 123 2HD ARG 18 2HD ARG 18 7.072 3.110 -1.388 124 HE ARG 18 HE ARG 18 5.909 5.766 -1.694 125 1HH1 ARG 18 1HH1 ARG 18 6.143 2.997 0.465 126 2HH1 ARG 18 2HH1 ARG 18 5.818 3.921 1.894 127 1HH2 ARG 18 1HH2 ARG 18 5.481 6.986 0.191 128 2HH2 ARG 18 2HH2 ARG 18 5.439 6.205 1.736 129 H VAL 19 H VAL 19 6.227 -0.781 -4.597 130 HA VAL 19 HA VAL 19 6.721 -1.105 -7.332 131 HB VAL 19 HB VAL 19 4.766 -2.735 -5.731 132 1HG1 VAL 19 1HG1 VAL 19 6.740 -3.315 -7.954 133 2HG1 VAL 19 2HG1 VAL 19 5.950 -4.593 -7.000 134 3HG1 VAL 19 3HG1 VAL 19 4.968 -3.478 -7.980 135 1HG2 VAL 19 1HG2 VAL 19 7.670 -2.329 -5.223 136 2HG2 VAL 19 2HG2 VAL 19 6.360 -2.793 -4.110 137 3HG2 VAL 19 3HG2 VAL 19 7.079 -4.008 -5.195 138 H ASP 20 H ASP 20 4.240 0.583 -5.656 139 HA ASP 20 HA ASP 20 2.418 1.569 -6.294 140 1HB ASP 20 1HB ASP 20 3.801 2.345 -8.224 141 2HB ASP 20 2HB ASP 20 3.356 0.911 -9.127 142 H CYS 21 H CYS 21 0.456 0.536 -5.901 143 HA CYS 21 HA CYS 21 0.038 -2.098 -6.944 144 1HB CYS 21 1HB CYS 21 -0.749 -0.762 -4.662 145 2HB CYS 21 2HB CYS 21 -2.225 -0.801 -5.606 146 H GLY 22 H GLY 22 -0.370 1.104 -8.046 147 1HA GLY 22 1HA GLY 22 -1.567 0.464 -10.443 148 2HA GLY 22 2HA GLY 22 -1.538 2.057 -9.714 149 H TYR 23 H TYR 23 -3.217 2.407 -7.856 150 HA TYR 23 HA TYR 23 -5.749 1.287 -8.813 151 1HB TYR 23 1HB TYR 23 -4.450 0.432 -6.525 152 2HB TYR 23 2HB TYR 23 -5.266 1.837 -5.870 153 HD1 TYR 23 HD1 TYR 23 -6.366 -0.747 -8.364 154 HD2 TYR 23 HD2 TYR 23 -7.057 1.118 -4.577 155 HE1 TYR 23 HE1 TYR 23 -8.492 -2.110 -8.073 156 HE2 TYR 23 HE2 TYR 23 -9.180 -0.252 -4.298 157 HH TYR 23 HH TYR 23 -10.088 -2.681 -6.715 158 HA PRO 24 HA PRO 24 -6.937 5.443 -8.523 159 1HB PRO 24 1HB PRO 24 -9.647 5.180 -8.757 160 2HB PRO 24 2HB PRO 24 -8.560 5.159 -10.132 161 1HG PRO 24 1HG PRO 24 -9.970 2.899 -8.849 162 2HG PRO 24 2HG PRO 24 -9.238 2.976 -10.440 163 1HD PRO 24 1HD PRO 24 -8.162 1.682 -8.117 164 2HD PRO 24 2HD PRO 24 -7.380 1.859 -9.675 165 H HIS 25 H HIS 25 -9.719 3.992 -6.966 166 HA HIS 25 HA HIS 25 -9.654 5.899 -4.923 167 1HB HIS 25 1HB HIS 25 -11.662 5.059 -4.401 168 2HB HIS 25 2HB HIS 25 -11.495 4.160 -5.895 169 HD1 HIS 25 HD1 HIS 25 -12.278 3.654 -2.437 170 HD2 HIS 25 HD2 HIS 25 -10.140 1.476 -5.315 171 HE1 HIS 25 HE1 HIS 25 -12.163 1.254 -1.578 172 HE2 HIS 25 HE2 HIS 25 -10.886 -0.047 -3.414 173 H VAL 26 H VAL 26 -7.751 6.029 -3.749 174 HA VAL 26 HA VAL 26 -7.083 3.601 -2.237 175 HB VAL 26 HB VAL 26 -4.715 4.357 -2.354 176 1HG1 VAL 26 1HG1 VAL 26 -6.264 3.453 -4.763 177 2HG1 VAL 26 2HG1 VAL 26 -4.520 3.775 -4.914 178 3HG1 VAL 26 3HG1 VAL 26 -5.102 2.559 -3.752 179 1HG2 VAL 26 1HG2 VAL 26 -5.593 6.748 -3.158 180 2HG2 VAL 26 2HG2 VAL 26 -3.982 6.132 -3.597 181 3HG2 VAL 26 3HG2 VAL 26 -5.326 6.019 -4.760 182 H THR 27 H THR 27 -6.862 3.882 -0.040 183 HA THR 27 HA THR 27 -6.605 6.604 0.974 184 HB THR 27 HB THR 27 -8.639 6.495 2.242 185 HG1 THR 27 HG1 THR 27 -8.356 3.694 1.458 186 1HG2 THR 27 1HG2 THR 27 -9.255 4.998 -0.360 187 2HG2 THR 27 2HG2 THR 27 -10.438 5.863 0.651 188 3HG2 THR 27 3HG2 THR 27 -9.168 6.769 -0.206 189 HA PRO 28 HA PRO 28 -4.315 4.709 4.070 190 1HB PRO 28 1HB PRO 28 -4.901 6.108 6.344 191 2HB PRO 28 2HB PRO 28 -3.817 6.705 5.103 192 1HG PRO 28 1HG PRO 28 -6.594 7.530 5.691 193 2HG PRO 28 2HG PRO 28 -5.369 8.378 4.768 194 1HD PRO 28 1HD PRO 28 -7.604 6.917 3.719 195 2HD PRO 28 2HD PRO 28 -6.316 7.666 2.797 196 H LYS 29 H LYS 29 -6.730 3.335 3.446 197 HA LYS 29 HA LYS 29 -6.696 1.495 5.523 198 1HB LYS 29 1HB LYS 29 -7.900 3.559 6.595 199 2HB LYS 29 2HB LYS 29 -9.276 3.038 5.644 200 1HG LYS 29 1HG LYS 29 -7.761 1.039 7.356 201 2HG LYS 29 2HG LYS 29 -8.962 2.088 8.083 202 1HD LYS 29 1HD LYS 29 -9.801 0.692 5.567 203 2HD LYS 29 2HD LYS 29 -9.553 -0.337 6.963 204 1HE LYS 29 1HE LYS 29 -11.416 0.457 8.035 205 2HE LYS 29 2HE LYS 29 -11.064 2.122 7.618 206 1HZ LYS 29 1HZ LYS 29 -11.755 0.721 5.306 207 2HZ LYS 29 2HZ LYS 29 -12.904 0.457 6.436 208 3HZ LYS 29 3HZ LYS 29 -12.525 1.984 5.998 209 H GLU 30 H GLU 30 -8.753 3.124 3.038 210 HA GLU 30 HA GLU 30 -10.040 0.715 2.351 211 1HB GLU 30 1HB GLU 30 -10.661 3.300 1.960 212 2HB GLU 30 2HB GLU 30 -9.872 3.019 0.421 213 1HG GLU 30 1HG GLU 30 -12.139 2.475 -0.013 214 2HG GLU 30 2HG GLU 30 -11.380 0.911 0.212 215 H CYS 31 H CYS 31 -7.018 2.293 1.457 216 HA CYS 31 HA CYS 31 -6.735 0.803 -0.974 217 1HB CYS 31 1HB CYS 31 -5.672 2.818 -1.162 218 2HB CYS 31 2HB CYS 31 -5.139 2.835 0.507 219 H ASN 32 H ASN 32 -5.948 0.547 2.476 220 HA ASN 32 HA ASN 32 -4.112 -1.610 1.974 221 1HB ASN 32 1HB ASN 32 -5.133 -0.701 4.700 222 2HB ASN 32 2HB ASN 32 -3.615 -1.496 4.337 223 2HD2 ASN 32 2HD2 ASN 32 -5.469 1.468 4.040 224 1HD2 ASN 32 1HD2 ASN 32 -4.145 2.559 3.801 225 H ASN 33 H ASN 33 -7.375 -1.309 1.839 226 HA ASN 33 HA ASN 33 -7.935 -3.664 3.440 227 1HB ASN 33 1HB ASN 33 -9.386 -1.589 3.689 228 2HB ASN 33 2HB ASN 33 -9.870 -1.763 2.014 229 2HD2 ASN 33 2HD2 ASN 33 -11.056 -3.600 1.354 230 1HD2 ASN 33 1HD2 ASN 33 -12.031 -4.504 2.463 231 H ARG 34 H ARG 34 -7.952 -2.248 0.145 232 HA ARG 34 HA ARG 34 -9.395 -4.251 -1.098 233 1HB ARG 34 1HB ARG 34 -8.631 -1.906 -1.975 234 2HB ARG 34 2HB ARG 34 -7.130 -2.694 -2.419 235 1HG ARG 34 1HG ARG 34 -9.868 -3.697 -3.325 236 2HG ARG 34 2HG ARG 34 -8.901 -2.577 -4.265 237 1HD ARG 34 1HD ARG 34 -7.076 -4.619 -3.637 238 2HD ARG 34 2HD ARG 34 -8.571 -5.492 -3.910 239 HE ARG 34 HE ARG 34 -8.460 -3.696 -6.033 240 1HH1 ARG 34 1HH1 ARG 34 -6.303 -6.173 -4.772 241 2HH1 ARG 34 2HH1 ARG 34 -5.598 -6.526 -6.315 242 1HH2 ARG 34 1HH2 ARG 34 -7.531 -4.160 -8.068 243 2HH2 ARG 34 2HH2 ARG 34 -6.302 -5.373 -8.202 244 H GLY 35 H GLY 35 -6.040 -4.028 0.007 245 1HA GLY 35 1HA GLY 35 -5.471 -6.642 -1.260 246 2HA GLY 35 2HA GLY 35 -5.017 -6.234 0.382 247 H CYS 36 H CYS 36 -3.632 -4.137 0.618 248 HA CYS 36 HA CYS 36 -1.279 -4.498 -0.744 249 1HB CYS 36 1HB CYS 36 -3.084 -3.249 -2.449 250 2HB CYS 36 2HB CYS 36 -2.130 -1.922 -1.818 251 H CYS 37 H CYS 37 -0.551 -1.589 -0.807 252 HA CYS 37 HA CYS 37 -0.973 -0.961 2.023 253 1HB CYS 37 1HB CYS 37 1.556 -1.214 0.487 254 2HB CYS 37 2HB CYS 37 1.442 0.145 1.586 255 H PHE 38 H PHE 38 -0.847 1.414 2.473 256 HA PHE 38 HA PHE 38 -1.406 2.977 0.049 257 1HB PHE 38 1HB PHE 38 -3.430 2.604 1.440 258 2HB PHE 38 2HB PHE 38 -2.551 3.009 2.901 259 HD1 PHE 38 HD1 PHE 38 -4.125 4.365 -0.122 260 HD2 PHE 38 HD2 PHE 38 -2.149 5.308 3.513 261 HE1 PHE 38 HE1 PHE 38 -4.858 6.755 -0.344 262 HE2 PHE 38 HE2 PHE 38 -2.882 7.698 3.291 263 HZ PHE 38 HZ PHE 38 -4.228 8.393 1.366 264 H ASP 39 H ASP 39 -1.244 5.488 0.689 265 HA ASP 39 HA ASP 39 0.463 6.241 2.704 266 1HB ASP 39 1HB ASP 39 2.233 5.019 1.540 267 2HB ASP 39 2HB ASP 39 1.806 5.756 0.008 268 H SER 40 H SER 40 0.615 8.583 2.694 269 HA SER 40 HA SER 40 -0.363 9.859 0.272 270 1HB SER 40 1HB SER 40 -1.820 11.339 1.596 271 2HB SER 40 2HB SER 40 -2.273 9.663 1.834 272 HG SER 40 HG SER 40 -0.531 10.027 3.746 273 H ARG 41 H ARG 41 2.261 9.420 1.981 274 HA ARG 41 HA ARG 41 2.954 11.836 3.088 275 1HB ARG 41 1HB ARG 41 4.142 9.401 2.939 276 2HB ARG 41 2HB ARG 41 5.069 10.204 1.688 277 1HG ARG 41 1HG ARG 41 4.909 12.032 3.895 278 2HG ARG 41 2HG ARG 41 5.307 10.464 4.568 279 1HD ARG 41 1HD ARG 41 6.801 11.285 2.089 280 2HD ARG 41 2HD ARG 41 7.189 12.148 3.564 281 HE ARG 41 HE ARG 41 8.004 9.485 2.937 282 1HH1 ARG 41 1HH1 ARG 41 6.706 11.316 5.647 283 2HH1 ARG 41 2HH1 ARG 41 7.430 10.299 6.847 284 1HH2 ARG 41 1HH2 ARG 41 8.960 8.142 4.520 285 2HH2 ARG 41 2HH2 ARG 41 8.721 8.481 6.202 286 H ILE 42 H ILE 42 3.308 10.546 -0.268 287 HA ILE 42 HA ILE 42 3.542 13.266 -1.228 288 HB ILE 42 HB ILE 42 5.505 12.098 -2.715 289 1HG1 ILE 42 1HG1 ILE 42 7.106 11.096 -1.110 290 2HG1 ILE 42 2HG1 ILE 42 5.872 11.121 0.133 291 1HG2 ILE 42 1HG2 ILE 42 5.576 13.890 -0.293 292 2HG2 ILE 42 2HG2 ILE 42 7.058 13.454 -1.178 293 3HG2 ILE 42 3HG2 ILE 42 5.742 14.313 -2.014 294 1HD1 ILE 42 1HD1 ILE 42 5.047 9.859 -2.444 295 2HD1 ILE 42 2HD1 ILE 42 6.298 8.992 -1.522 296 3HD1 ILE 42 3HD1 ILE 42 4.723 9.346 -0.771 297 HA PRO 43 HA PRO 43 0.991 11.334 -4.156 298 1HB PRO 43 1HB PRO 43 0.544 13.487 -5.780 299 2HB PRO 43 2HB PRO 43 -0.357 13.195 -4.306 300 1HG PRO 43 1HG PRO 43 1.783 15.172 -4.809 301 2HG PRO 43 2HG PRO 43 0.597 15.142 -3.519 302 1HD PRO 43 1HD PRO 43 3.365 14.414 -3.324 303 2HD PRO 43 2HD PRO 43 2.153 14.275 -2.065 304 H GLY 44 H GLY 44 3.791 13.163 -5.149 305 1HA GLY 44 1HA GLY 44 5.378 12.625 -6.661 306 2HA GLY 44 2HA GLY 44 4.026 12.516 -7.771 307 H VAL 45 H VAL 45 4.196 10.322 -4.987 308 HA VAL 45 HA VAL 45 5.156 8.197 -6.766 309 HB VAL 45 HB VAL 45 6.156 7.227 -4.985 310 1HG1 VAL 45 1HG1 VAL 45 5.947 10.141 -4.176 311 2HG1 VAL 45 2HG1 VAL 45 7.030 8.975 -3.379 312 3HG1 VAL 45 3HG1 VAL 45 7.242 9.350 -5.106 313 1HG2 VAL 45 1HG2 VAL 45 3.939 8.384 -3.280 314 2HG2 VAL 45 2HG2 VAL 45 4.280 6.677 -3.650 315 3HG2 VAL 45 3HG2 VAL 45 5.371 7.592 -2.581 316 HA PRO 46 HA PRO 46 1.367 6.134 -6.455 317 1HB PRO 46 1HB PRO 46 1.989 3.504 -6.047 318 2HB PRO 46 2HB PRO 46 2.110 4.286 -7.610 319 1HG PRO 46 1HG PRO 46 4.275 3.522 -5.748 320 2HG PRO 46 2HG PRO 46 4.379 3.902 -7.456 321 1HD PRO 46 1HD PRO 46 5.126 5.604 -5.271 322 2HD PRO 46 2HD PRO 46 5.120 6.024 -6.972 323 H TRP 47 H TRP 47 0.450 7.246 -4.700 324 HA TRP 47 HA TRP 47 0.847 6.933 -2.115 325 1HB TRP 47 1HB TRP 47 -1.633 7.246 -3.724 326 2HB TRP 47 2HB TRP 47 -1.827 6.859 -2.026 327 HD1 TRP 47 HD1 TRP 47 1.074 9.150 -3.116 328 HE1 TRP 47 HE1 TRP 47 0.745 11.607 -2.212 329 HE3 TRP 47 HE3 TRP 47 -3.636 8.428 -1.343 330 HZ2 TRP 47 HZ2 TRP 47 -1.400 12.943 -0.886 331 HZ3 TRP 47 HZ3 TRP 47 -4.777 10.360 -0.257 332 HH2 TRP 47 HH2 TRP 47 -3.735 12.558 -0.016 333 H CYS 48 H CYS 48 -1.161 4.644 -4.109 334 HA CYS 48 HA CYS 48 -1.037 2.747 -1.916 335 1HB CYS 48 1HB CYS 48 -3.152 3.364 -3.283 336 2HB CYS 48 2HB CYS 48 -2.482 2.318 -4.518 337 H PHE 49 H PHE 49 0.820 1.517 -1.890 338 HA PHE 49 HA PHE 49 1.711 0.458 -4.475 339 1HB PHE 49 1HB PHE 49 4.053 0.642 -3.316 340 2HB PHE 49 2HB PHE 49 3.332 2.148 -3.849 341 HD1 PHE 49 HD1 PHE 49 3.427 -0.037 -0.821 342 HD2 PHE 49 HD2 PHE 49 3.280 3.913 -2.365 343 HE1 PHE 49 HE1 PHE 49 3.620 0.880 1.507 344 HE2 PHE 49 HE2 PHE 49 3.472 4.830 -0.036 345 HZ PHE 49 HZ PHE 49 3.640 3.302 1.872 346 H LYS 50 H LYS 50 3.174 -1.531 -4.162 347 HA LYS 50 HA LYS 50 1.773 -3.394 -2.591 348 1HB LYS 50 1HB LYS 50 4.446 -3.597 -4.010 349 2HB LYS 50 2HB LYS 50 3.569 -4.950 -3.325 350 1HG LYS 50 1HG LYS 50 1.555 -4.030 -4.802 351 2HG LYS 50 2HG LYS 50 2.825 -3.220 -5.696 352 1HD LYS 50 1HD LYS 50 3.834 -5.817 -5.395 353 2HD LYS 50 2HD LYS 50 2.119 -6.089 -5.625 354 1HE LYS 50 1HE LYS 50 2.902 -4.069 -7.513 355 2HE LYS 50 2HE LYS 50 4.109 -5.336 -7.596 356 1HZ LYS 50 1HZ LYS 50 2.327 -6.929 -7.869 357 2HZ LYS 50 2HZ LYS 50 1.206 -5.743 -7.805 358 3HZ LYS 50 3HZ LYS 50 2.270 -5.795 -9.042 359 HA PRO 51 HA PRO 51 3.896 -3.232 1.161 360 1HB PRO 51 1HB PRO 51 3.909 -5.831 2.005 361 2HB PRO 51 2HB PRO 51 2.506 -4.789 2.135 362 1HG PRO 51 1HG PRO 51 3.009 -6.989 0.225 363 2HG PRO 51 2HG PRO 51 1.487 -6.231 0.651 364 1HD PRO 51 1HD PRO 51 3.008 -5.800 -1.742 365 2HD PRO 51 2HD PRO 51 1.548 -4.958 -1.262 366 H LEU 52 H LEU 52 5.923 -2.697 1.642 367 HA LEU 52 HA LEU 52 8.037 -3.289 0.131 368 1HB LEU 52 1HB LEU 52 8.233 -1.702 1.848 369 2HB LEU 52 2HB LEU 52 7.816 -2.859 3.097 370 HG LEU 52 HG LEU 52 10.367 -2.980 1.467 371 1HD1 LEU 52 1HD1 LEU 52 10.133 -0.904 2.881 372 2HD1 LEU 52 2HD1 LEU 52 10.093 -1.971 4.305 373 3HD1 LEU 52 3HD1 LEU 52 11.531 -1.941 3.256 374 1HD2 LEU 52 1HD2 LEU 52 9.115 -4.761 3.409 375 2HD2 LEU 52 2HD2 LEU 52 10.474 -5.045 2.295 376 3HD2 LEU 52 3HD2 LEU 52 10.765 -4.284 3.878 377 H GLN 53 H GLN 53 9.247 -5.027 -0.443 378 HA GLN 53 HA GLN 53 8.408 -7.558 0.286 379 1HB GLN 53 1HB GLN 53 10.710 -8.212 -0.770 380 2HB GLN 53 2HB GLN 53 9.509 -7.436 -1.783 381 1HG GLN 53 1HG GLN 53 11.300 -5.549 -0.327 382 2HG GLN 53 2HG GLN 53 12.116 -6.567 -1.497 383 2HE2 GLN 53 2HE2 GLN 53 11.012 -3.644 -1.199 384 1HE2 GLN 53 1HE2 GLN 53 10.352 -3.296 -2.762 385 H GLU 54 H GLU 54 8.351 -7.500 2.656 386 HA GLU 54 HA GLU 54 10.725 -7.062 4.093 387 1HB GLU 54 1HB GLU 54 9.354 -8.091 6.002 388 2HB GLU 54 2HB GLU 54 8.679 -6.661 5.247 389 1HG GLU 54 1HG GLU 54 7.813 -9.075 3.831 390 2HG GLU 54 2HG GLU 54 7.429 -9.193 5.537 391 H ALA 55 H ALA 55 11.887 -8.635 2.429 392 HA ALA 55 HA ALA 55 11.798 -11.338 3.587 393 1HB ALA 55 1HB ALA 55 11.938 -12.224 1.492 394 2HB ALA 55 2HB ALA 55 13.004 -10.927 0.901 395 3HB ALA 55 3HB ALA 55 11.247 -10.659 1.002 396 H GLU 56 H GLU 56 14.039 -9.160 1.717 397 HA GLU 56 HA GLU 56 15.873 -8.989 3.785 398 1HB GLU 56 1HB GLU 56 16.288 -11.379 3.386 399 2HB GLU 56 2HB GLU 56 16.536 -11.089 1.676 400 1HG GLU 56 1HG GLU 56 18.536 -9.732 2.137 401 2HG GLU 56 2HG GLU 56 18.246 -9.818 3.863 402 H CYS 57 H CYS 57 17.679 -7.606 3.205 403 HA CYS 57 HA CYS 57 17.132 -6.157 0.760 404 1HB CYS 57 1HB CYS 57 18.802 -4.539 1.688 405 2HB CYS 57 2HB CYS 57 17.343 -4.755 2.634 406 H THR 58 H THR 58 18.203 -6.779 -1.083 407 HA THR 58 HA THR 58 20.980 -7.694 -0.778 408 HB THR 58 HB THR 58 18.675 -8.988 -2.314 409 HG1 THR 58 HG1 THR 58 20.758 -9.904 -0.461 410 1HG2 THR 58 1HG2 THR 58 21.659 -9.680 -2.391 411 2HG2 THR 58 2HG2 THR 58 20.348 -10.588 -3.183 412 3HG2 THR 58 3HG2 THR 58 20.762 -8.951 -3.745 413 H PHE 59 H PHE 59 18.534 -6.888 -3.341 414 HA PHE 59 HA PHE 59 20.657 -5.543 -4.784 415 1HB PHE 59 1HB PHE 59 18.113 -6.908 -5.279 416 2HB PHE 59 2HB PHE 59 18.014 -5.296 -5.959 417 HD1 PHE 59 HD1 PHE 59 20.589 -4.741 -7.057 418 HD2 PHE 59 HD2 PHE 59 18.520 -8.445 -6.940 419 HE1 PHE 59 HE1 PHE 59 21.861 -5.515 -9.078 420 HE2 PHE 59 HE2 PHE 59 19.793 -9.219 -8.961 421 HZ PHE 59 HZ PHE 59 21.448 -7.745 -10.005 No H/Q in entry = 421 Start of MODEL 59 1 H GLU 1 H GLU 1 7.644 -13.219 19.939 2 HA GLU 1 HA GLU 1 8.771 -12.046 22.001 3 1HB GLU 1 1HB GLU 1 10.959 -13.099 20.885 4 2HB GLU 1 2HB GLU 1 10.893 -11.655 19.894 5 1HG GLU 1 1HG GLU 1 11.250 -10.211 21.714 6 2HG GLU 1 2HG GLU 1 10.582 -11.336 22.879 7 H GLU 2 H GLU 2 6.641 -11.165 21.128 8 HA GLU 2 HA GLU 2 5.433 -9.761 19.942 9 1HB GLU 2 1HB GLU 2 7.682 -8.300 21.183 10 2HB GLU 2 2HB GLU 2 6.928 -7.407 19.877 11 1HG GLU 2 1HG GLU 2 5.102 -6.950 21.146 12 2HG GLU 2 2HG GLU 2 4.864 -8.647 21.515 13 H TYR 3 H TYR 3 5.325 -10.631 17.830 14 HA TYR 3 HA TYR 3 7.324 -9.572 15.951 15 1HB TYR 3 1HB TYR 3 7.037 -12.105 16.309 16 2HB TYR 3 2HB TYR 3 5.359 -11.945 15.832 17 HD1 TYR 3 HD1 TYR 3 8.747 -11.014 14.494 18 HD2 TYR 3 HD2 TYR 3 4.833 -12.523 13.652 19 HE1 TYR 3 HE1 TYR 3 9.399 -11.368 12.061 20 HE2 TYR 3 HE2 TYR 3 5.498 -12.871 11.223 21 HH TYR 3 HH TYR 3 8.800 -12.138 10.135 22 H VAL 4 H VAL 4 6.661 -8.085 14.480 23 HA VAL 4 HA VAL 4 3.922 -8.168 13.555 24 HB VAL 4 HB VAL 4 3.626 -6.803 15.471 25 1HG1 VAL 4 1HG1 VAL 4 6.054 -5.226 14.552 26 2HG1 VAL 4 2HG1 VAL 4 4.986 -4.772 15.901 27 3HG1 VAL 4 3HG1 VAL 4 5.941 -6.271 15.989 28 1HG2 VAL 4 1HG2 VAL 4 3.862 -5.177 12.925 29 2HG2 VAL 4 2HG2 VAL 4 2.413 -5.948 13.613 30 3HG2 VAL 4 3HG2 VAL 4 3.140 -4.540 14.422 31 H GLY 5 H GLY 5 3.956 -7.889 11.383 32 1HA GLY 5 1HA GLY 5 5.784 -7.863 9.628 33 2HA GLY 5 2HA GLY 5 6.148 -6.266 10.251 34 H LEU 6 H LEU 6 2.909 -6.428 10.789 35 HA LEU 6 HA LEU 6 2.226 -5.614 8.054 36 1HB LEU 6 1HB LEU 6 -0.069 -6.147 8.627 37 2HB LEU 6 2HB LEU 6 0.988 -7.533 8.806 38 HG LEU 6 HG LEU 6 0.454 -5.907 11.250 39 1HD1 LEU 6 1HD1 LEU 6 -1.688 -6.867 9.629 40 2HD1 LEU 6 2HD1 LEU 6 -1.601 -7.869 11.097 41 3HD1 LEU 6 3HD1 LEU 6 -1.753 -6.101 11.235 42 1HD2 LEU 6 1HD2 LEU 6 1.774 -8.258 10.741 43 2HD2 LEU 6 2HD2 LEU 6 1.171 -7.729 12.330 44 3HD2 LEU 6 3HD2 LEU 6 0.194 -8.829 11.328 45 H SER 7 H SER 7 1.326 -3.587 7.670 46 HA SER 7 HA SER 7 0.614 -1.559 8.080 47 1HB SER 7 1HB SER 7 -0.400 -0.947 10.080 48 2HB SER 7 2HB SER 7 -0.435 -2.693 10.234 49 HG SER 7 HG SER 7 1.244 -2.653 11.699 50 H ALA 8 H ALA 8 1.989 0.147 7.707 51 HA ALA 8 HA ALA 8 3.728 1.510 7.861 52 1HB ALA 8 1HB ALA 8 4.857 1.812 10.008 53 2HB ALA 8 2HB ALA 8 4.205 0.265 10.599 54 3HB ALA 8 3HB ALA 8 3.107 1.627 10.274 55 H ASN 9 H ASN 9 5.035 -1.298 9.751 56 HA ASN 9 HA ASN 9 7.460 -1.331 8.595 57 1HB ASN 9 1HB ASN 9 5.708 -3.393 9.902 58 2HB ASN 9 2HB ASN 9 7.072 -4.023 9.001 59 2HD2 ASN 9 2HD2 ASN 9 5.995 -2.577 11.860 60 1HD2 ASN 9 1HD2 ASN 9 7.515 -2.290 12.639 61 H GLN 10 H GLN 10 4.366 -2.793 7.469 62 HA GLN 10 HA GLN 10 5.616 -4.144 5.305 63 1HB GLN 10 1HB GLN 10 3.306 -4.567 6.644 64 2HB GLN 10 2HB GLN 10 2.659 -3.617 5.322 65 1HG GLN 10 1HG GLN 10 4.137 -5.260 3.820 66 2HG GLN 10 2HG GLN 10 4.045 -6.303 5.225 67 2HE2 GLN 10 2HE2 GLN 10 2.884 -7.754 3.865 68 1HE2 GLN 10 1HE2 GLN 10 1.184 -7.562 3.588 69 H CYS 11 H CYS 11 4.169 -0.977 5.912 70 HA CYS 11 HA CYS 11 4.500 -0.380 3.061 71 1HB CYS 11 1HB CYS 11 2.742 1.385 4.645 72 2HB CYS 11 2HB CYS 11 2.597 0.826 2.990 73 H ALA 12 H ALA 12 6.765 -0.327 4.598 74 HA ALA 12 HA ALA 12 7.051 2.496 5.367 75 1HB ALA 12 1HB ALA 12 9.198 1.256 6.485 76 2HB ALA 12 2HB ALA 12 7.638 1.466 7.317 77 3HB ALA 12 3HB ALA 12 8.018 -0.076 6.512 78 H VAL 13 H VAL 13 7.068 2.114 2.683 79 HA VAL 13 HA VAL 13 9.795 1.567 1.860 80 HB VAL 13 HB VAL 13 7.795 2.565 -0.071 81 1HG1 VAL 13 1HG1 VAL 13 10.071 0.696 0.053 82 2HG1 VAL 13 2HG1 VAL 13 8.714 0.134 -0.952 83 3HG1 VAL 13 3HG1 VAL 13 9.481 1.703 -1.290 84 1HG2 VAL 13 1HG2 VAL 13 7.339 0.082 1.582 85 2HG2 VAL 13 2HG2 VAL 13 6.186 1.359 1.124 86 3HG2 VAL 13 3HG2 VAL 13 6.753 0.193 -0.095 87 HA PRO 14 HA PRO 14 10.903 5.744 1.773 88 1HB PRO 14 1HB PRO 14 12.981 5.697 -0.002 89 2HB PRO 14 2HB PRO 14 13.143 5.220 1.677 90 1HG PRO 14 1HG PRO 14 13.028 3.511 -0.733 91 2HG PRO 14 2HG PRO 14 13.605 3.108 0.872 92 1HD PRO 14 1HD PRO 14 11.095 2.349 -0.290 93 2HD PRO 14 2HD PRO 14 11.624 2.046 1.353 94 H ALA 15 H ALA 15 9.241 4.316 -0.614 95 HA ALA 15 HA ALA 15 7.806 5.357 -2.017 96 1HB ALA 15 1HB ALA 15 9.415 7.872 -2.237 97 2HB ALA 15 2HB ALA 15 7.650 7.647 -2.167 98 3HB ALA 15 3HB ALA 15 8.621 7.541 -0.679 99 H LYS 16 H LYS 16 11.295 5.223 -2.226 100 HA LYS 16 HA LYS 16 11.220 5.394 -5.130 101 1HB LYS 16 1HB LYS 16 13.646 5.398 -4.987 102 2HB LYS 16 2HB LYS 16 12.969 6.623 -3.934 103 1HG LYS 16 1HG LYS 16 14.663 5.531 -2.635 104 2HG LYS 16 2HG LYS 16 13.139 4.928 -2.015 105 1HD LYS 16 1HD LYS 16 13.442 2.798 -2.917 106 2HD LYS 16 2HD LYS 16 14.387 3.383 -4.272 107 1HE LYS 16 1HE LYS 16 16.230 2.680 -3.139 108 2HE LYS 16 2HE LYS 16 15.988 4.051 -2.074 109 1HZ LYS 16 1HZ LYS 16 14.579 1.526 -1.629 110 2HZ LYS 16 2HZ LYS 16 16.081 1.775 -1.041 111 3HZ LYS 16 3HZ LYS 16 14.849 2.735 -0.566 112 H ASP 17 H ASP 17 10.119 3.161 -3.169 113 HA ASP 17 HA ASP 17 11.271 1.031 -4.773 114 1HB ASP 17 1HB ASP 17 11.524 1.379 -1.916 115 2HB ASP 17 2HB ASP 17 10.480 -0.001 -2.192 116 H ARG 18 H ARG 18 8.687 2.815 -4.511 117 HA ARG 18 HA ARG 18 6.698 1.009 -3.655 118 1HB ARG 18 1HB ARG 18 6.296 3.466 -5.424 119 2HB ARG 18 2HB ARG 18 5.125 2.738 -4.342 120 1HG ARG 18 1HG ARG 18 7.745 4.027 -3.442 121 2HG ARG 18 2HG ARG 18 6.182 4.819 -3.398 122 1HD ARG 18 1HD ARG 18 5.419 2.725 -1.984 123 2HD ARG 18 2HD ARG 18 7.134 2.444 -1.759 124 HE ARG 18 HE ARG 18 7.136 4.187 -0.217 125 1HH1 ARG 18 1HH1 ARG 18 4.507 4.728 -2.493 126 2HH1 ARG 18 2HH1 ARG 18 3.938 6.155 -1.692 127 1HH2 ARG 18 1HH2 ARG 18 6.385 6.069 0.840 128 2HH2 ARG 18 2HH2 ARG 18 5.013 6.923 0.216 129 H VAL 19 H VAL 19 5.886 -0.695 -4.837 130 HA VAL 19 HA VAL 19 6.591 -0.899 -7.621 131 HB VAL 19 HB VAL 19 4.843 -2.791 -6.073 132 1HG1 VAL 19 1HG1 VAL 19 6.164 -2.784 -8.638 133 2HG1 VAL 19 2HG1 VAL 19 6.788 -4.118 -7.638 134 3HG1 VAL 19 3HG1 VAL 19 5.041 -3.980 -7.949 135 1HG2 VAL 19 1HG2 VAL 19 7.821 -2.370 -5.788 136 2HG2 VAL 19 2HG2 VAL 19 6.584 -2.523 -4.517 137 3HG2 VAL 19 3HG2 VAL 19 7.063 -3.949 -5.468 138 H ASP 20 H ASP 20 4.118 0.584 -5.818 139 HA ASP 20 HA ASP 20 2.188 1.432 -6.318 140 1HB ASP 20 1HB ASP 20 3.138 2.549 -8.197 141 2HB ASP 20 2HB ASP 20 3.331 1.062 -9.102 142 H CYS 21 H CYS 21 0.429 0.134 -5.753 143 HA CYS 21 HA CYS 21 0.105 -2.432 -6.956 144 1HB CYS 21 1HB CYS 21 -0.537 -1.377 -4.527 145 2HB CYS 21 2HB CYS 21 -2.096 -1.333 -5.325 146 H GLY 22 H GLY 22 -0.875 0.857 -7.570 147 1HA GLY 22 1HA GLY 22 -2.212 0.183 -9.968 148 2HA GLY 22 2HA GLY 22 -2.121 1.761 -9.212 149 H TYR 23 H TYR 23 -3.785 2.480 -7.779 150 HA TYR 23 HA TYR 23 -6.234 0.899 -8.022 151 1HB TYR 23 1HB TYR 23 -4.677 1.851 -5.589 152 2HB TYR 23 2HB TYR 23 -6.424 1.942 -5.485 153 HD1 TYR 23 HD1 TYR 23 -7.706 -0.290 -6.160 154 HD2 TYR 23 HD2 TYR 23 -3.615 -0.110 -4.921 155 HE1 TYR 23 HE1 TYR 23 -7.788 -2.745 -5.505 156 HE2 TYR 23 HE2 TYR 23 -3.711 -2.566 -4.271 157 HH TYR 23 HH TYR 23 -6.009 -4.145 -3.541 158 HA PRO 24 HA PRO 24 -7.883 4.818 -8.841 159 1HB PRO 24 1HB PRO 24 -10.551 4.306 -8.543 160 2HB PRO 24 2HB PRO 24 -9.655 3.905 -9.994 161 1HG PRO 24 1HG PRO 24 -10.614 2.108 -7.851 162 2HG PRO 24 2HG PRO 24 -10.107 1.702 -9.479 163 1HD PRO 24 1HD PRO 24 -8.597 1.331 -7.068 164 2HD PRO 24 2HD PRO 24 -8.048 1.033 -8.706 165 H HIS 25 H HIS 25 -10.074 3.622 -6.352 166 HA HIS 25 HA HIS 25 -9.713 6.159 -5.010 167 1HB HIS 25 1HB HIS 25 -11.663 5.610 -3.773 168 2HB HIS 25 2HB HIS 25 -11.972 5.185 -5.445 169 HD1 HIS 25 HD1 HIS 25 -13.599 3.895 -3.137 170 HD2 HIS 25 HD2 HIS 25 -10.177 2.186 -4.860 171 HE1 HIS 25 HE1 HIS 25 -13.744 1.389 -2.680 172 HE2 HIS 25 HE2 HIS 25 -11.643 0.386 -3.809 173 H VAL 26 H VAL 26 -7.536 5.934 -4.245 174 HA VAL 26 HA VAL 26 -7.088 3.734 -2.382 175 HB VAL 26 HB VAL 26 -4.740 4.559 -2.456 176 1HG1 VAL 26 1HG1 VAL 26 -6.050 3.839 -5.099 177 2HG1 VAL 26 2HG1 VAL 26 -4.298 3.782 -4.785 178 3HG1 VAL 26 3HG1 VAL 26 -5.401 2.717 -3.879 179 1HG2 VAL 26 1HG2 VAL 26 -5.731 6.914 -3.333 180 2HG2 VAL 26 2HG2 VAL 26 -4.055 6.386 -3.618 181 3HG2 VAL 26 3HG2 VAL 26 -5.282 6.176 -4.890 182 H THR 27 H THR 27 -6.754 4.041 -0.177 183 HA THR 27 HA THR 27 -6.579 6.737 0.854 184 HB THR 27 HB THR 27 -8.690 6.787 1.912 185 HG1 THR 27 HG1 THR 27 -8.317 3.921 1.574 186 1HG2 THR 27 1HG2 THR 27 -9.164 5.011 -0.541 187 2HG2 THR 27 2HG2 THR 27 -10.436 5.883 0.347 188 3HG2 THR 27 3HG2 THR 27 -9.181 6.791 -0.530 189 HA PRO 28 HA PRO 28 -4.561 4.756 4.088 190 1HB PRO 28 1HB PRO 28 -5.327 6.067 6.361 191 2HB PRO 28 2HB PRO 28 -4.155 6.714 5.230 192 1HG PRO 28 1HG PRO 28 -6.974 7.507 5.634 193 2HG PRO 28 2HG PRO 28 -5.688 8.393 4.839 194 1HD PRO 28 1HD PRO 28 -7.827 6.965 3.569 195 2HD PRO 28 2HD PRO 28 -6.477 7.753 2.777 196 H LYS 29 H LYS 29 -6.861 3.359 3.226 197 HA LYS 29 HA LYS 29 -6.996 1.477 5.261 198 1HB LYS 29 1HB LYS 29 -8.349 3.497 6.239 199 2HB LYS 29 2HB LYS 29 -9.609 2.962 5.147 200 1HG LYS 29 1HG LYS 29 -8.263 0.868 6.846 201 2HG LYS 29 2HG LYS 29 -9.365 1.971 7.645 202 1HD LYS 29 1HD LYS 29 -10.576 1.068 5.164 203 2HD LYS 29 2HD LYS 29 -10.018 -0.329 6.063 204 1HE LYS 29 1HE LYS 29 -12.144 -0.034 6.997 205 2HE LYS 29 2HE LYS 29 -11.163 0.870 8.133 206 1HZ LYS 29 1HZ LYS 29 -12.249 2.241 5.808 207 2HZ LYS 29 2HZ LYS 29 -13.227 1.942 7.081 208 3HZ LYS 29 3HZ LYS 29 -11.880 2.843 7.280 209 H GLU 30 H GLU 30 -9.099 3.077 2.767 210 HA GLU 30 HA GLU 30 -10.209 0.715 1.871 211 1HB GLU 30 1HB GLU 30 -11.111 2.974 1.375 212 2HB GLU 30 2HB GLU 30 -9.726 3.321 0.359 213 1HG GLU 30 1HG GLU 30 -10.593 2.162 -1.403 214 2HG GLU 30 2HG GLU 30 -10.998 0.781 -0.402 215 H CYS 31 H CYS 31 -7.263 2.520 0.825 216 HA CYS 31 HA CYS 31 -6.709 0.884 -1.372 217 1HB CYS 31 1HB CYS 31 -5.580 2.860 -1.484 218 2HB CYS 31 2HB CYS 31 -5.231 2.904 0.232 219 H ASN 32 H ASN 32 -5.835 0.805 2.126 220 HA ASN 32 HA ASN 32 -4.156 -1.460 1.758 221 1HB ASN 32 1HB ASN 32 -3.448 -0.934 3.877 222 2HB ASN 32 2HB ASN 32 -4.438 0.505 3.724 223 2HD2 ASN 32 2HD2 ASN 32 -3.875 -2.329 5.423 224 1HD2 ASN 32 1HD2 ASN 32 -5.311 -2.401 6.389 225 H ASN 33 H ASN 33 -7.472 -0.989 1.663 226 HA ASN 33 HA ASN 33 -8.090 -3.400 3.146 227 1HB ASN 33 1HB ASN 33 -9.517 -1.405 3.569 228 2HB ASN 33 2HB ASN 33 -9.885 -1.274 1.861 229 2HD2 ASN 33 2HD2 ASN 33 -12.048 -1.342 3.084 230 1HD2 ASN 33 1HD2 ASN 33 -12.831 -2.883 3.183 231 H ARG 34 H ARG 34 -8.105 -1.858 -0.097 232 HA ARG 34 HA ARG 34 -9.619 -3.736 -1.415 233 1HB ARG 34 1HB ARG 34 -8.420 -1.388 -2.116 234 2HB ARG 34 2HB ARG 34 -7.289 -2.498 -2.864 235 1HG ARG 34 1HG ARG 34 -9.157 -1.798 -4.403 236 2HG ARG 34 2HG ARG 34 -9.053 -3.535 -4.189 237 1HD ARG 34 1HD ARG 34 -11.078 -3.659 -3.102 238 2HD ARG 34 2HD ARG 34 -10.798 -2.188 -2.192 239 HE ARG 34 HE ARG 34 -11.168 -1.448 -4.917 240 1HH1 ARG 34 1HH1 ARG 34 -13.019 -2.835 -2.266 241 2HH1 ARG 34 2HH1 ARG 34 -14.535 -2.219 -2.832 242 1HH2 ARG 34 1HH2 ARG 34 -13.168 -0.634 -5.666 243 2HH2 ARG 34 2HH2 ARG 34 -14.621 -0.958 -4.779 244 H GLY 35 H GLY 35 -6.287 -3.791 -0.243 245 1HA GLY 35 1HA GLY 35 -5.840 -6.357 -1.649 246 2HA GLY 35 2HA GLY 35 -5.462 -6.108 0.044 247 H CYS 36 H CYS 36 -3.960 -4.131 0.520 248 HA CYS 36 HA CYS 36 -1.537 -4.554 -0.611 249 1HB CYS 36 1HB CYS 36 -3.122 -3.195 -2.493 250 2HB CYS 36 2HB CYS 36 -2.051 -1.980 -1.825 251 H CYS 37 H CYS 37 -0.603 -1.736 -0.630 252 HA CYS 37 HA CYS 37 -1.287 -1.025 2.131 253 1HB CYS 37 1HB CYS 37 1.340 -1.379 0.808 254 2HB CYS 37 2HB CYS 37 1.186 0.032 1.837 255 H PHE 38 H PHE 38 -1.196 1.340 2.568 256 HA PHE 38 HA PHE 38 -1.541 2.887 0.095 257 1HB PHE 38 1HB PHE 38 -3.651 2.595 1.362 258 2HB PHE 38 2HB PHE 38 -2.849 2.972 2.874 259 HD1 PHE 38 HD1 PHE 38 -4.148 4.387 -0.260 260 HD2 PHE 38 HD2 PHE 38 -2.461 5.248 3.538 261 HE1 PHE 38 HE1 PHE 38 -4.791 6.799 -0.520 262 HE2 PHE 38 HE2 PHE 38 -3.105 7.660 3.277 263 HZ PHE 38 HZ PHE 38 -4.263 8.406 1.251 264 H ASP 39 H ASP 39 -1.345 5.400 0.694 265 HA ASP 39 HA ASP 39 0.294 6.117 2.797 266 1HB ASP 39 1HB ASP 39 2.108 4.929 1.721 267 2HB ASP 39 2HB ASP 39 1.688 5.571 0.146 268 H SER 40 H SER 40 0.474 8.456 2.820 269 HA SER 40 HA SER 40 -0.436 9.771 0.392 270 1HB SER 40 1HB SER 40 -1.881 11.272 1.722 271 2HB SER 40 2HB SER 40 -2.381 9.601 1.898 272 HG SER 40 HG SER 40 -1.695 11.340 3.844 273 H ARG 41 H ARG 41 2.172 9.277 2.065 274 HA ARG 41 HA ARG 41 2.889 11.647 3.256 275 1HB ARG 41 1HB ARG 41 4.057 9.200 2.987 276 2HB ARG 41 2HB ARG 41 5.000 10.073 1.795 277 1HG ARG 41 1HG ARG 41 4.757 11.714 4.178 278 2HG ARG 41 2HG ARG 41 5.295 10.114 4.648 279 1HD ARG 41 1HD ARG 41 6.987 10.365 2.622 280 2HD ARG 41 2HD ARG 41 6.637 12.077 2.762 281 HE ARG 41 HE ARG 41 7.949 12.132 4.688 282 1HH1 ARG 41 1HH1 ARG 41 6.846 8.829 4.181 283 2HH1 ARG 41 2HH1 ARG 41 7.760 8.185 5.504 284 1HH2 ARG 41 1HH2 ARG 41 9.155 11.283 6.434 285 2HH2 ARG 41 2HH2 ARG 41 9.082 9.590 6.794 286 H ILE 42 H ILE 42 3.418 10.427 -0.123 287 HA ILE 42 HA ILE 42 3.568 13.185 -1.015 288 HB ILE 42 HB ILE 42 5.588 12.080 -2.481 289 1HG1 ILE 42 1HG1 ILE 42 7.172 11.090 -0.855 290 2HG1 ILE 42 2HG1 ILE 42 5.913 11.080 0.364 291 1HG2 ILE 42 1HG2 ILE 42 5.311 14.035 -0.301 292 2HG2 ILE 42 2HG2 ILE 42 6.954 13.381 -0.506 293 3HG2 ILE 42 3HG2 ILE 42 6.131 14.167 -1.875 294 1HD1 ILE 42 1HD1 ILE 42 5.078 9.841 -2.198 295 2HD1 ILE 42 2HD1 ILE 42 6.426 9.005 -1.391 296 3HD1 ILE 42 3HD1 ILE 42 4.886 9.247 -0.531 297 HA PRO 43 HA PRO 43 1.151 11.320 -4.088 298 1HB PRO 43 1HB PRO 43 0.842 13.471 -5.746 299 2HB PRO 43 2HB PRO 43 -0.136 13.216 -4.314 300 1HG PRO 43 1HG PRO 43 2.080 15.129 -4.729 301 2HG PRO 43 2HG PRO 43 0.834 15.142 -3.496 302 1HD PRO 43 1HD PRO 43 3.568 14.340 -3.165 303 2HD PRO 43 2HD PRO 43 2.295 14.245 -1.965 304 H GLY 44 H GLY 44 4.045 13.063 -4.960 305 1HA GLY 44 1HA GLY 44 5.711 12.384 -6.341 306 2HA GLY 44 2HA GLY 44 4.437 12.474 -7.541 307 H VAL 45 H VAL 45 4.806 10.152 -4.785 308 HA VAL 45 HA VAL 45 5.403 8.038 -6.694 309 HB VAL 45 HB VAL 45 6.309 6.892 -4.953 310 1HG1 VAL 45 1HG1 VAL 45 7.043 9.500 -5.099 311 2HG1 VAL 45 2HG1 VAL 45 6.584 9.393 -3.382 312 3HG1 VAL 45 3HG1 VAL 45 7.828 8.303 -4.041 313 1HG2 VAL 45 1HG2 VAL 45 4.326 8.284 -3.129 314 2HG2 VAL 45 2HG2 VAL 45 4.362 6.568 -3.602 315 3HG2 VAL 45 3HG2 VAL 45 5.632 7.226 -2.543 316 HA PRO 46 HA PRO 46 1.482 6.232 -6.436 317 1HB PRO 46 1HB PRO 46 1.926 3.548 -6.175 318 2HB PRO 46 2HB PRO 46 2.082 4.401 -7.698 319 1HG PRO 46 1HG PRO 46 4.211 3.394 -5.911 320 2HG PRO 46 2HG PRO 46 4.321 3.856 -7.598 321 1HD PRO 46 1HD PRO 46 5.209 5.385 -5.340 322 2HD PRO 46 2HD PRO 46 5.212 5.894 -7.017 323 H TRP 47 H TRP 47 0.596 7.269 -4.643 324 HA TRP 47 HA TRP 47 0.986 6.890 -2.083 325 1HB TRP 47 1HB TRP 47 -1.520 7.186 -3.661 326 2HB TRP 47 2HB TRP 47 -1.681 6.786 -1.962 327 HD1 TRP 47 HD1 TRP 47 1.214 9.092 -2.979 328 HE1 TRP 47 HE1 TRP 47 0.849 11.551 -2.092 329 HE3 TRP 47 HE3 TRP 47 -3.561 8.370 -1.386 330 HZ2 TRP 47 HZ2 TRP 47 -1.347 12.888 -0.852 331 HZ3 TRP 47 HZ3 TRP 47 -4.744 10.303 -0.348 332 HH2 TRP 47 HH2 TRP 47 -3.713 12.502 -0.071 333 H CYS 48 H CYS 48 -1.092 4.637 -4.053 334 HA CYS 48 HA CYS 48 -0.930 2.701 -1.913 335 1HB CYS 48 1HB CYS 48 -3.018 3.308 -3.341 336 2HB CYS 48 2HB CYS 48 -2.303 2.260 -4.550 337 H PHE 49 H PHE 49 0.736 1.234 -1.871 338 HA PHE 49 HA PHE 49 1.749 0.276 -4.432 339 1HB PHE 49 1HB PHE 49 4.089 0.512 -3.295 340 2HB PHE 49 2HB PHE 49 3.343 2.007 -3.823 341 HD1 PHE 49 HD1 PHE 49 3.691 -0.161 -0.815 342 HD2 PHE 49 HD2 PHE 49 3.084 3.761 -2.318 343 HE1 PHE 49 HE1 PHE 49 3.892 0.761 1.511 344 HE2 PHE 49 HE2 PHE 49 3.285 4.683 0.008 345 HZ PHE 49 HZ PHE 49 3.686 3.172 1.894 346 H LYS 50 H LYS 50 3.216 -1.698 -4.093 347 HA LYS 50 HA LYS 50 1.840 -3.524 -2.441 348 1HB LYS 50 1HB LYS 50 4.521 -3.914 -3.795 349 2HB LYS 50 2HB LYS 50 3.385 -5.153 -3.300 350 1HG LYS 50 1HG LYS 50 1.681 -4.147 -4.894 351 2HG LYS 50 2HG LYS 50 2.916 -3.035 -5.450 352 1HD LYS 50 1HD LYS 50 3.227 -4.709 -7.021 353 2HD LYS 50 2HD LYS 50 4.322 -5.301 -5.788 354 1HE LYS 50 1HE LYS 50 2.844 -6.995 -5.082 355 2HE LYS 50 2HE LYS 50 1.422 -6.139 -5.643 356 1HZ LYS 50 1HZ LYS 50 2.860 -6.540 -7.889 357 2HZ LYS 50 2HZ LYS 50 3.102 -7.926 -7.060 358 3HZ LYS 50 3HZ LYS 50 1.583 -7.436 -7.407 359 HA PRO 51 HA PRO 51 4.142 -3.354 1.205 360 1HB PRO 51 1HB PRO 51 4.310 -5.957 2.022 361 2HB PRO 51 2HB PRO 51 2.870 -4.980 2.225 362 1HG PRO 51 1HG PRO 51 3.384 -7.140 0.274 363 2HG PRO 51 2HG PRO 51 1.850 -6.455 0.775 364 1HD PRO 51 1HD PRO 51 3.241 -5.937 -1.680 365 2HD PRO 51 2HD PRO 51 1.767 -5.166 -1.127 366 H LEU 52 H LEU 52 6.167 -2.793 1.690 367 HA LEU 52 HA LEU 52 8.247 -3.163 0.093 368 1HB LEU 52 1HB LEU 52 8.628 -1.771 1.865 369 2HB LEU 52 2HB LEU 52 7.995 -2.898 3.048 370 HG LEU 52 HG LEU 52 10.553 -3.560 1.624 371 1HD1 LEU 52 1HD1 LEU 52 10.314 -1.115 2.829 372 2HD1 LEU 52 2HD1 LEU 52 10.908 -2.128 4.167 373 3HD1 LEU 52 3HD1 LEU 52 11.829 -2.030 2.647 374 1HD2 LEU 52 1HD2 LEU 52 9.452 -4.159 4.382 375 2HD2 LEU 52 2HD2 LEU 52 9.600 -5.284 3.010 376 3HD2 LEU 52 3HD2 LEU 52 11.062 -4.644 3.799 377 H GLN 53 H GLN 53 9.922 -4.668 -0.300 378 HA GLN 53 HA GLN 53 9.077 -7.335 -0.101 379 1HB GLN 53 1HB GLN 53 11.280 -5.822 -1.340 380 2HB GLN 53 2HB GLN 53 11.801 -7.393 -0.764 381 1HG GLN 53 1HG GLN 53 10.915 -7.385 -3.148 382 2HG GLN 53 2HG GLN 53 10.139 -8.545 -2.088 383 2HE2 GLN 53 2HE2 GLN 53 9.738 -5.026 -2.252 384 1HE2 GLN 53 1HE2 GLN 53 8.057 -5.008 -2.671 385 H GLU 54 H GLU 54 8.769 -7.462 2.286 386 HA GLU 54 HA GLU 54 10.631 -7.029 4.162 387 1HB GLU 54 1HB GLU 54 9.386 -8.481 5.573 388 2HB GLU 54 2HB GLU 54 8.220 -7.896 4.404 389 1HG GLU 54 1HG GLU 54 8.877 -10.043 3.020 390 2HG GLU 54 2HG GLU 54 9.550 -10.622 4.530 391 H ALA 55 H ALA 55 12.747 -7.627 4.301 392 HA ALA 55 HA ALA 55 13.389 -10.423 3.798 393 1HB ALA 55 1HB ALA 55 15.022 -9.994 2.183 394 2HB ALA 55 2HB ALA 55 13.737 -8.854 1.717 395 3HB ALA 55 3HB ALA 55 15.155 -8.275 2.624 396 H GLU 56 H GLU 56 13.272 -10.107 6.250 397 HA GLU 56 HA GLU 56 14.177 -9.699 8.199 398 1HB GLU 56 1HB GLU 56 15.712 -11.460 6.978 399 2HB GLU 56 2HB GLU 56 16.903 -10.175 6.966 400 1HG GLU 56 1HG GLU 56 16.034 -10.048 9.584 401 2HG GLU 56 2HG GLU 56 15.848 -11.760 9.261 402 H CYS 57 H CYS 57 13.561 -7.322 7.787 403 HA CYS 57 HA CYS 57 14.006 -5.174 7.891 404 1HB CYS 57 1HB CYS 57 15.388 -6.293 9.898 405 2HB CYS 57 2HB CYS 57 16.726 -5.568 9.029 406 H THR 58 H THR 58 15.939 -3.426 7.344 407 HA THR 58 HA THR 58 16.761 -4.149 4.655 408 HB THR 58 HB THR 58 16.639 -1.582 6.306 409 HG1 THR 58 HG1 THR 58 14.700 -2.539 5.285 410 1HG2 THR 58 1HG2 THR 58 18.620 -1.521 4.702 411 2HG2 THR 58 2HG2 THR 58 17.488 -1.895 3.381 412 3HG2 THR 58 3HG2 THR 58 17.328 -0.370 4.285 413 H PHE 59 H PHE 59 18.864 -4.216 3.871 414 HA PHE 59 HA PHE 59 20.757 -5.385 5.378 415 1HB PHE 59 1HB PHE 59 20.744 -4.994 2.875 416 2HB PHE 59 2HB PHE 59 21.062 -3.291 3.141 417 HD1 PHE 59 HD1 PHE 59 22.562 -6.530 4.270 418 HD2 PHE 59 HD2 PHE 59 23.217 -2.646 2.691 419 HE1 PHE 59 HE1 PHE 59 25.030 -6.979 4.190 420 HE2 PHE 59 HE2 PHE 59 25.686 -3.095 2.611 421 HZ PHE 59 HZ PHE 59 26.562 -5.257 3.361 No H/Q in entry = 421 Start of MODEL 60 1 H GLU 1 H GLU 1 11.048 -15.570 17.514 2 HA GLU 1 HA GLU 1 10.840 -15.509 14.781 3 1HB GLU 1 1HB GLU 1 9.334 -17.777 16.085 4 2HB GLU 1 2HB GLU 1 8.593 -16.946 14.732 5 1HG GLU 1 1HG GLU 1 10.462 -17.470 13.269 6 2HG GLU 1 2HG GLU 1 11.440 -18.031 14.610 7 H GLU 2 H GLU 2 9.784 -13.598 14.477 8 HA GLU 2 HA GLU 2 7.444 -13.103 16.094 9 1HB GLU 2 1HB GLU 2 9.942 -11.904 16.701 10 2HB GLU 2 2HB GLU 2 9.020 -10.653 15.891 11 1HG GLU 2 1HG GLU 2 7.479 -12.226 17.904 12 2HG GLU 2 2HG GLU 2 8.791 -11.274 18.570 13 H TYR 3 H TYR 3 6.065 -13.187 14.310 14 HA TYR 3 HA TYR 3 6.776 -11.930 11.846 15 1HB TYR 3 1HB TYR 3 5.134 -13.961 12.654 16 2HB TYR 3 2HB TYR 3 3.960 -12.664 12.750 17 HD1 TYR 3 HD1 TYR 3 6.336 -14.336 10.405 18 HD2 TYR 3 HD2 TYR 3 2.834 -11.912 10.817 19 HE1 TYR 3 HE1 TYR 3 5.885 -14.549 7.912 20 HE2 TYR 3 HE2 TYR 3 2.395 -12.134 8.323 21 HH TYR 3 HH TYR 3 3.012 -13.927 6.541 22 H VAL 4 H VAL 4 5.623 -10.151 10.820 23 HA VAL 4 HA VAL 4 3.981 -8.509 12.541 24 HB VAL 4 HB VAL 4 6.473 -7.999 12.934 25 1HG1 VAL 4 1HG1 VAL 4 6.856 -8.004 10.355 26 2HG1 VAL 4 2HG1 VAL 4 6.239 -6.336 10.433 27 3HG1 VAL 4 3HG1 VAL 4 7.689 -6.792 11.358 28 1HG2 VAL 4 1HG2 VAL 4 4.243 -6.527 13.246 29 2HG2 VAL 4 2HG2 VAL 4 5.870 -5.918 13.635 30 3HG2 VAL 4 3HG2 VAL 4 5.107 -5.493 12.084 31 H GLY 5 H GLY 5 2.928 -6.743 11.294 32 1HA GLY 5 1HA GLY 5 1.687 -7.481 9.046 33 2HA GLY 5 2HA GLY 5 3.194 -6.860 8.404 34 H LEU 6 H LEU 6 0.059 -6.062 9.632 35 HA LEU 6 HA LEU 6 -0.061 -3.547 8.738 36 1HB LEU 6 1HB LEU 6 -1.732 -3.168 10.623 37 2HB LEU 6 2HB LEU 6 -2.034 -4.466 9.485 38 HG LEU 6 HG LEU 6 -2.396 -4.832 12.045 39 1HD1 LEU 6 1HD1 LEU 6 -1.998 -6.513 9.874 40 2HD1 LEU 6 2HD1 LEU 6 -0.917 -7.168 11.128 41 3HD1 LEU 6 3HD1 LEU 6 -2.653 -6.966 11.467 42 1HD2 LEU 6 1HD2 LEU 6 -0.147 -4.043 12.704 43 2HD2 LEU 6 2HD2 LEU 6 -0.492 -5.700 13.257 44 3HD2 LEU 6 3HD2 LEU 6 0.568 -5.433 11.851 45 H SER 7 H SER 7 0.355 -1.422 9.484 46 HA SER 7 HA SER 7 1.181 0.137 10.823 47 1HB SER 7 1HB SER 7 1.844 -0.230 13.015 48 2HB SER 7 2HB SER 7 0.898 -1.680 12.741 49 HG SER 7 HG SER 7 2.896 -2.812 12.221 50 H ALA 8 H ALA 8 2.561 0.894 9.189 51 HA ALA 8 HA ALA 8 4.368 0.991 7.864 52 1HB ALA 8 1HB ALA 8 4.892 2.071 10.155 53 2HB ALA 8 2HB ALA 8 5.909 0.640 10.450 54 3HB ALA 8 3HB ALA 8 6.265 1.717 9.078 55 H ASN 9 H ASN 9 7.067 -0.164 8.597 56 HA ASN 9 HA ASN 9 8.250 -1.941 8.220 57 1HB ASN 9 1HB ASN 9 6.009 -2.959 9.727 58 2HB ASN 9 2HB ASN 9 6.360 -4.136 8.477 59 2HD2 ASN 9 2HD2 ASN 9 7.071 -3.152 11.537 60 1HD2 ASN 9 1HD2 ASN 9 8.619 -3.892 11.777 61 H GLN 10 H GLN 10 5.004 -3.299 7.278 62 HA GLN 10 HA GLN 10 5.982 -4.281 4.858 63 1HB GLN 10 1HB GLN 10 3.456 -4.574 4.372 64 2HB GLN 10 2HB GLN 10 4.113 -5.415 5.762 65 1HG GLN 10 1HG GLN 10 3.246 -3.741 7.298 66 2HG GLN 10 2HG GLN 10 2.835 -2.656 5.985 67 2HE2 GLN 10 2HE2 GLN 10 1.628 -4.191 4.156 68 1HE2 GLN 10 1HE2 GLN 10 0.168 -4.901 4.760 69 H CYS 11 H CYS 11 4.257 -1.278 5.802 70 HA CYS 11 HA CYS 11 4.500 -0.400 3.017 71 1HB CYS 11 1HB CYS 11 2.727 1.068 4.894 72 2HB CYS 11 2HB CYS 11 2.563 0.781 3.173 73 H ALA 12 H ALA 12 6.799 -0.402 4.627 74 HA ALA 12 HA ALA 12 7.006 2.403 5.482 75 1HB ALA 12 1HB ALA 12 9.199 1.118 6.528 76 2HB ALA 12 2HB ALA 12 7.666 1.376 7.396 77 3HB ALA 12 3HB ALA 12 7.974 -0.172 6.575 78 H VAL 13 H VAL 13 7.044 1.843 2.728 79 HA VAL 13 HA VAL 13 9.787 1.499 1.928 80 HB VAL 13 HB VAL 13 7.758 2.480 0.015 81 1HG1 VAL 13 1HG1 VAL 13 10.075 0.637 0.104 82 2HG1 VAL 13 2HG1 VAL 13 8.744 0.141 -0.969 83 3HG1 VAL 13 3HG1 VAL 13 9.519 1.728 -1.189 84 1HG2 VAL 13 1HG2 VAL 13 7.345 0.024 1.689 85 2HG2 VAL 13 2HG2 VAL 13 6.157 1.191 1.060 86 3HG2 VAL 13 3HG2 VAL 13 6.887 -0.012 -0.031 87 HA PRO 14 HA PRO 14 10.779 5.707 1.944 88 1HB PRO 14 1HB PRO 14 12.894 5.744 0.214 89 2HB PRO 14 2HB PRO 14 13.034 5.246 1.888 90 1HG PRO 14 1HG PRO 14 13.016 3.572 -0.548 91 2HG PRO 14 2HG PRO 14 13.571 3.161 1.063 92 1HD PRO 14 1HD PRO 14 11.107 2.350 -0.163 93 2HD PRO 14 2HD PRO 14 11.610 2.037 1.486 94 H ALA 15 H ALA 15 9.164 4.291 -0.461 95 HA ALA 15 HA ALA 15 7.743 5.308 -1.888 96 1HB ALA 15 1HB ALA 15 9.248 7.870 -2.104 97 2HB ALA 15 2HB ALA 15 7.499 7.580 -1.941 98 3HB ALA 15 3HB ALA 15 8.552 7.503 -0.507 99 H LYS 16 H LYS 16 11.214 5.163 -2.031 100 HA LYS 16 HA LYS 16 11.206 5.430 -4.932 101 1HB LYS 16 1HB LYS 16 13.656 5.368 -4.705 102 2HB LYS 16 2HB LYS 16 12.932 6.646 -3.750 103 1HG LYS 16 1HG LYS 16 14.611 5.536 -2.378 104 2HG LYS 16 2HG LYS 16 13.032 5.153 -1.721 105 1HD LYS 16 1HD LYS 16 13.097 2.925 -2.472 106 2HD LYS 16 2HD LYS 16 14.201 3.284 -3.785 107 1HE LYS 16 1HE LYS 16 16.069 3.580 -2.203 108 2HE LYS 16 2HE LYS 16 14.989 3.399 -0.835 109 1HZ LYS 16 1HZ LYS 16 14.490 1.163 -1.657 110 2HZ LYS 16 2HZ LYS 16 15.601 1.342 -2.840 111 3HZ LYS 16 3HZ LYS 16 16.066 1.348 -1.275 112 H ASP 17 H ASP 17 10.107 3.139 -3.009 113 HA ASP 17 HA ASP 17 11.283 1.056 -4.660 114 1HB ASP 17 1HB ASP 17 11.467 1.336 -1.780 115 2HB ASP 17 2HB ASP 17 10.480 -0.068 -2.135 116 H ARG 18 H ARG 18 8.688 2.812 -4.410 117 HA ARG 18 HA ARG 18 6.697 0.982 -3.608 118 1HB ARG 18 1HB ARG 18 6.303 3.463 -5.345 119 2HB ARG 18 2HB ARG 18 5.124 2.713 -4.287 120 1HG ARG 18 1HG ARG 18 7.728 3.995 -3.332 121 2HG ARG 18 2HG ARG 18 6.167 4.790 -3.308 122 1HD ARG 18 1HD ARG 18 5.372 2.683 -1.931 123 2HD ARG 18 2HD ARG 18 7.082 2.397 -1.677 124 HE ARG 18 HE ARG 18 7.050 4.115 -0.109 125 1HH1 ARG 18 1HH1 ARG 18 4.498 4.715 -2.456 126 2HH1 ARG 18 2HH1 ARG 18 3.924 6.141 -1.659 127 1HH2 ARG 18 1HH2 ARG 18 6.293 5.997 0.944 128 2HH2 ARG 18 2HH2 ARG 18 4.952 6.875 0.288 129 H VAL 19 H VAL 19 5.911 -0.707 -4.828 130 HA VAL 19 HA VAL 19 6.652 -0.856 -7.609 131 HB VAL 19 HB VAL 19 5.076 -2.736 -5.839 132 1HG1 VAL 19 1HG1 VAL 19 5.965 -2.847 -8.680 133 2HG1 VAL 19 2HG1 VAL 19 6.149 -4.332 -7.717 134 3HG1 VAL 19 3HG1 VAL 19 4.547 -3.577 -7.889 135 1HG2 VAL 19 1HG2 VAL 19 7.950 -2.176 -6.083 136 2HG2 VAL 19 2HG2 VAL 19 7.051 -3.038 -4.811 137 3HG2 VAL 19 3HG2 VAL 19 7.537 -3.894 -6.294 138 H ASP 20 H ASP 20 4.172 0.610 -5.830 139 HA ASP 20 HA ASP 20 2.241 1.452 -6.339 140 1HB ASP 20 1HB ASP 20 3.185 2.553 -8.228 141 2HB ASP 20 2HB ASP 20 3.387 1.056 -9.117 142 H CYS 21 H CYS 21 0.447 0.198 -5.798 143 HA CYS 21 HA CYS 21 0.134 -2.394 -6.969 144 1HB CYS 21 1HB CYS 21 -0.493 -1.330 -4.540 145 2HB CYS 21 2HB CYS 21 -2.057 -1.285 -5.330 146 H GLY 22 H GLY 22 -0.898 0.903 -7.538 147 1HA GLY 22 1HA GLY 22 -2.227 0.224 -9.948 148 2HA GLY 22 2HA GLY 22 -2.138 1.802 -9.189 149 H TYR 23 H TYR 23 -3.796 2.509 -7.743 150 HA TYR 23 HA TYR 23 -6.235 0.906 -7.962 151 1HB TYR 23 1HB TYR 23 -4.671 1.908 -5.555 152 2HB TYR 23 2HB TYR 23 -6.418 1.991 -5.441 153 HD1 TYR 23 HD1 TYR 23 -7.724 -0.226 -5.956 154 HD2 TYR 23 HD2 TYR 23 -3.562 -0.069 -4.978 155 HE1 TYR 23 HE1 TYR 23 -7.788 -2.671 -5.262 156 HE2 TYR 23 HE2 TYR 23 -3.640 -2.515 -4.287 157 HH TYR 23 HH TYR 23 -5.676 -4.065 -3.385 158 HA PRO 24 HA PRO 24 -7.928 4.794 -8.836 159 1HB PRO 24 1HB PRO 24 -10.590 4.257 -8.525 160 2HB PRO 24 2HB PRO 24 -9.691 3.845 -9.972 161 1HG PRO 24 1HG PRO 24 -10.626 2.068 -7.803 162 2HG PRO 24 2HG PRO 24 -10.117 1.646 -9.426 163 1HD PRO 24 1HD PRO 24 -8.599 1.324 -7.014 164 2HD PRO 24 2HD PRO 24 -8.049 1.011 -8.648 165 H HIS 25 H HIS 25 -10.203 3.690 -6.396 166 HA HIS 25 HA HIS 25 -9.829 6.220 -5.069 167 1HB HIS 25 1HB HIS 25 -11.796 5.718 -3.879 168 2HB HIS 25 2HB HIS 25 -12.074 5.158 -5.516 169 HD1 HIS 25 HD1 HIS 25 -13.658 4.035 -3.054 170 HD2 HIS 25 HD2 HIS 25 -10.273 2.235 -4.756 171 HE1 HIS 25 HE1 HIS 25 -13.770 1.565 -2.425 172 HE2 HIS 25 HE2 HIS 25 -11.693 0.501 -3.544 173 H VAL 26 H VAL 26 -7.597 5.928 -4.381 174 HA VAL 26 HA VAL 26 -7.140 3.786 -2.474 175 HB VAL 26 HB VAL 26 -4.818 4.689 -2.514 176 1HG1 VAL 26 1HG1 VAL 26 -6.080 3.931 -5.169 177 2HG1 VAL 26 2HG1 VAL 26 -4.329 3.939 -4.846 178 3HG1 VAL 26 3HG1 VAL 26 -5.395 2.832 -3.948 179 1HG2 VAL 26 1HG2 VAL 26 -5.700 7.035 -3.244 180 2HG2 VAL 26 2HG2 VAL 26 -4.142 6.450 -3.875 181 3HG2 VAL 26 3HG2 VAL 26 -5.601 6.365 -4.890 182 H THR 27 H THR 27 -6.802 4.087 -0.262 183 HA THR 27 HA THR 27 -6.729 6.773 0.796 184 HB THR 27 HB THR 27 -8.843 6.723 1.878 185 HG1 THR 27 HG1 THR 27 -8.460 3.882 1.335 186 1HG2 THR 27 1HG2 THR 27 -9.275 5.072 -0.668 187 2HG2 THR 27 2HG2 THR 27 -10.553 5.913 0.241 188 3HG2 THR 27 3HG2 THR 27 -9.283 6.849 -0.581 189 HA PRO 28 HA PRO 28 -4.688 4.819 4.032 190 1HB PRO 28 1HB PRO 28 -5.520 6.074 6.312 191 2HB PRO 28 2HB PRO 28 -4.358 6.774 5.203 192 1HG PRO 28 1HG PRO 28 -7.205 7.470 5.585 193 2HG PRO 28 2HG PRO 28 -5.940 8.407 4.816 194 1HD PRO 28 1HD PRO 28 -8.017 6.927 3.504 195 2HD PRO 28 2HD PRO 28 -6.685 7.768 2.737 196 H LYS 29 H LYS 29 -6.970 3.387 3.129 197 HA LYS 29 HA LYS 29 -7.047 1.446 5.107 198 1HB LYS 29 1HB LYS 29 -8.433 3.428 6.147 199 2HB LYS 29 2HB LYS 29 -9.699 2.856 5.080 200 1HG LYS 29 1HG LYS 29 -8.202 0.876 6.822 201 2HG LYS 29 2HG LYS 29 -9.481 1.850 7.521 202 1HD LYS 29 1HD LYS 29 -10.701 0.969 5.200 203 2HD LYS 29 2HD LYS 29 -9.661 -0.392 5.567 204 1HE LYS 29 1HE LYS 29 -11.227 0.778 7.855 205 2HE LYS 29 2HE LYS 29 -12.131 -0.116 6.649 206 1HZ LYS 29 1HZ LYS 29 -9.729 -1.177 7.962 207 2HZ LYS 29 2HZ LYS 29 -11.247 -1.466 8.490 208 3HZ LYS 29 3HZ LYS 29 -10.779 -1.998 7.019 209 H GLU 30 H GLU 30 -9.165 3.096 2.662 210 HA GLU 30 HA GLU 30 -10.262 0.736 1.718 211 1HB GLU 30 1HB GLU 30 -11.066 3.141 1.347 212 2HB GLU 30 2HB GLU 30 -9.838 3.284 0.105 213 1HG GLU 30 1HG GLU 30 -11.132 2.175 -1.394 214 2HG GLU 30 2HG GLU 30 -11.314 0.814 -0.306 215 H CYS 31 H CYS 31 -7.224 2.449 0.980 216 HA CYS 31 HA CYS 31 -6.708 0.917 -1.365 217 1HB CYS 31 1HB CYS 31 -5.677 2.956 -1.479 218 2HB CYS 31 2HB CYS 31 -5.265 2.983 0.224 219 H ASN 32 H ASN 32 -5.890 0.850 2.134 220 HA ASN 32 HA ASN 32 -4.140 -1.385 1.733 221 1HB ASN 32 1HB ASN 32 -3.583 -1.134 4.053 222 2HB ASN 32 2HB ASN 32 -3.836 0.507 3.490 223 2HD2 ASN 32 2HD2 ASN 32 -4.161 0.947 5.760 224 1HD2 ASN 32 1HD2 ASN 32 -5.720 0.728 6.481 225 H ASN 33 H ASN 33 -7.390 -1.057 1.573 226 HA ASN 33 HA ASN 33 -7.957 -3.353 3.265 227 1HB ASN 33 1HB ASN 33 -9.424 -1.441 3.714 228 2HB ASN 33 2HB ASN 33 -9.756 -1.222 2.007 229 2HD2 ASN 33 2HD2 ASN 33 -11.297 -2.382 1.011 230 1HD2 ASN 33 1HD2 ASN 33 -12.329 -3.544 1.776 231 H ARG 34 H ARG 34 -8.172 -1.931 -0.035 232 HA ARG 34 HA ARG 34 -9.679 -3.904 -1.207 233 1HB ARG 34 1HB ARG 34 -8.612 -1.553 -2.058 234 2HB ARG 34 2HB ARG 34 -7.453 -2.640 -2.798 235 1HG ARG 34 1HG ARG 34 -10.482 -2.844 -3.145 236 2HG ARG 34 2HG ARG 34 -9.399 -2.095 -4.301 237 1HD ARG 34 1HD ARG 34 -8.122 -4.450 -4.143 238 2HD ARG 34 2HD ARG 34 -9.684 -5.019 -3.588 239 HE ARG 34 HE ARG 34 -10.097 -3.427 -5.927 240 1HH1 ARG 34 1HH1 ARG 34 -8.696 -6.516 -4.991 241 2HH1 ARG 34 2HH1 ARG 34 -8.985 -7.259 -6.529 242 1HH2 ARG 34 1HH2 ARG 34 -10.479 -4.406 -7.956 243 2HH2 ARG 34 2HH2 ARG 34 -10.006 -6.051 -8.227 244 H GLY 35 H GLY 35 -6.290 -3.811 -0.209 245 1HA GLY 35 1HA GLY 35 -5.816 -6.397 -1.568 246 2HA GLY 35 2HA GLY 35 -5.414 -6.124 0.116 247 H CYS 36 H CYS 36 -3.933 -4.149 0.569 248 HA CYS 36 HA CYS 36 -1.532 -4.501 -0.618 249 1HB CYS 36 1HB CYS 36 -3.194 -3.164 -2.458 250 2HB CYS 36 2HB CYS 36 -2.115 -1.940 -1.819 251 H CYS 37 H CYS 37 -0.663 -1.664 -0.653 252 HA CYS 37 HA CYS 37 -1.324 -0.955 2.113 253 1HB CYS 37 1HB CYS 37 1.320 -1.171 0.741 254 2HB CYS 37 2HB CYS 37 1.105 0.100 1.928 255 H PHE 38 H PHE 38 -1.213 1.421 2.538 256 HA PHE 38 HA PHE 38 -1.579 2.953 0.059 257 1HB PHE 38 1HB PHE 38 -3.696 2.643 1.310 258 2HB PHE 38 2HB PHE 38 -2.910 3.032 2.827 259 HD1 PHE 38 HD1 PHE 38 -4.159 4.435 -0.339 260 HD2 PHE 38 HD2 PHE 38 -2.587 5.305 3.506 261 HE1 PHE 38 HE1 PHE 38 -4.824 6.840 -0.611 262 HE2 PHE 38 HE2 PHE 38 -3.251 7.710 3.233 263 HZ PHE 38 HZ PHE 38 -4.362 8.449 1.178 264 H ASP 39 H ASP 39 -1.406 5.467 0.647 265 HA ASP 39 HA ASP 39 0.211 6.201 2.764 266 1HB ASP 39 1HB ASP 39 2.079 5.095 1.766 267 2HB ASP 39 2HB ASP 39 1.612 5.574 0.146 268 H SER 40 H SER 40 0.443 8.553 2.755 269 HA SER 40 HA SER 40 -0.519 9.849 0.339 270 1HB SER 40 1HB SER 40 -1.952 11.350 1.667 271 2HB SER 40 2HB SER 40 -2.433 9.681 1.896 272 HG SER 40 HG SER 40 -2.227 10.099 3.984 273 H ARG 41 H ARG 41 2.085 9.365 2.094 274 HA ARG 41 HA ARG 41 2.831 11.737 3.215 275 1HB ARG 41 1HB ARG 41 3.997 9.283 2.908 276 2HB ARG 41 2HB ARG 41 4.938 10.184 1.736 277 1HG ARG 41 1HG ARG 41 4.938 11.941 3.873 278 2HG ARG 41 2HG ARG 41 4.904 10.401 4.708 279 1HD ARG 41 1HD ARG 41 7.042 9.851 4.060 280 2HD ARG 41 2HD ARG 41 6.822 10.476 2.438 281 HE ARG 41 HE ARG 41 6.869 12.697 4.230 282 1HH1 ARG 41 1HH1 ARG 41 9.034 10.212 2.997 283 2HH1 ARG 41 2HH1 ARG 41 10.458 11.181 3.182 284 1HH2 ARG 41 1HH2 ARG 41 8.747 13.976 4.474 285 2HH2 ARG 41 2HH2 ARG 41 10.294 13.336 4.027 286 H ILE 42 H ILE 42 3.402 10.498 -0.156 287 HA ILE 42 HA ILE 42 3.474 13.252 -1.074 288 HB ILE 42 HB ILE 42 5.542 12.195 -2.509 289 1HG1 ILE 42 1HG1 ILE 42 7.137 11.262 -0.864 290 2HG1 ILE 42 2HG1 ILE 42 5.871 11.231 0.348 291 1HG2 ILE 42 1HG2 ILE 42 5.296 14.069 -0.200 292 2HG2 ILE 42 2HG2 ILE 42 6.927 13.577 -0.716 293 3HG2 ILE 42 3HG2 ILE 42 5.827 14.366 -1.873 294 1HD1 ILE 42 1HD1 ILE 42 5.066 9.947 -2.195 295 2HD1 ILE 42 2HD1 ILE 42 6.454 9.161 -1.404 296 3HD1 ILE 42 3HD1 ILE 42 4.918 9.351 -0.525 297 HA PRO 43 HA PRO 43 1.163 11.307 -4.174 298 1HB PRO 43 1HB PRO 43 0.889 13.410 -5.898 299 2HB PRO 43 2HB PRO 43 -0.123 13.192 -4.484 300 1HG PRO 43 1HG PRO 43 2.098 15.099 -4.899 301 2HG PRO 43 2HG PRO 43 0.823 15.143 -3.697 302 1HD PRO 43 1HD PRO 43 3.550 14.359 -3.278 303 2HD PRO 43 2HD PRO 43 2.248 14.293 -2.106 304 H GLY 44 H GLY 44 4.066 13.043 -5.034 305 1HA GLY 44 1HA GLY 44 5.771 12.321 -6.348 306 2HA GLY 44 2HA GLY 44 4.529 12.388 -7.582 307 H VAL 45 H VAL 45 4.824 10.125 -4.768 308 HA VAL 45 HA VAL 45 5.465 7.970 -6.613 309 HB VAL 45 HB VAL 45 6.297 6.847 -4.813 310 1HG1 VAL 45 1HG1 VAL 45 7.184 9.340 -5.067 311 2HG1 VAL 45 2HG1 VAL 45 6.532 9.484 -3.417 312 3HG1 VAL 45 3HG1 VAL 45 7.776 8.263 -3.779 313 1HG2 VAL 45 1HG2 VAL 45 4.327 8.350 -3.061 314 2HG2 VAL 45 2HG2 VAL 45 4.287 6.629 -3.512 315 3HG2 VAL 45 3HG2 VAL 45 5.571 7.238 -2.442 316 HA PRO 46 HA PRO 46 1.527 6.191 -6.445 317 1HB PRO 46 1HB PRO 46 1.957 3.507 -6.157 318 2HB PRO 46 2HB PRO 46 2.151 4.351 -7.681 319 1HG PRO 46 1HG PRO 46 4.234 3.348 -5.838 320 2HG PRO 46 2HG PRO 46 4.386 3.799 -7.525 321 1HD PRO 46 1HD PRO 46 5.225 5.339 -5.255 322 2HD PRO 46 2HD PRO 46 5.269 5.838 -6.934 323 H TRP 47 H TRP 47 0.638 7.263 -4.662 324 HA TRP 47 HA TRP 47 0.956 6.889 -2.099 325 1HB TRP 47 1HB TRP 47 -1.512 7.190 -3.733 326 2HB TRP 47 2HB TRP 47 -1.714 6.800 -2.037 327 HD1 TRP 47 HD1 TRP 47 1.219 9.082 -2.987 328 HE1 TRP 47 HE1 TRP 47 0.847 11.548 -2.125 329 HE3 TRP 47 HE3 TRP 47 -3.603 8.402 -1.526 330 HZ2 TRP 47 HZ2 TRP 47 -1.374 12.907 -0.956 331 HZ3 TRP 47 HZ3 TRP 47 -4.802 10.349 -0.534 332 HH2 TRP 47 HH2 TRP 47 -3.764 12.542 -0.240 333 H CYS 48 H CYS 48 -1.082 4.633 -4.106 334 HA CYS 48 HA CYS 48 -0.988 2.712 -1.949 335 1HB CYS 48 1HB CYS 48 -3.019 3.328 -3.481 336 2HB CYS 48 2HB CYS 48 -2.277 2.213 -4.612 337 H PHE 49 H PHE 49 0.664 1.231 -1.849 338 HA PHE 49 HA PHE 49 1.744 0.244 -4.369 339 1HB PHE 49 1HB PHE 49 4.058 0.501 -3.198 340 2HB PHE 49 2HB PHE 49 3.317 1.993 -3.743 341 HD1 PHE 49 HD1 PHE 49 3.591 -0.167 -0.719 342 HD2 PHE 49 HD2 PHE 49 3.062 3.755 -2.252 343 HE1 PHE 49 HE1 PHE 49 3.754 0.765 1.607 344 HE2 PHE 49 HE2 PHE 49 3.225 4.686 0.073 345 HZ PHE 49 HZ PHE 49 3.569 3.180 1.975 346 H LYS 50 H LYS 50 3.243 -1.709 -3.937 347 HA LYS 50 HA LYS 50 1.819 -3.493 -2.248 348 1HB LYS 50 1HB LYS 50 4.393 -3.843 -3.815 349 2HB LYS 50 2HB LYS 50 3.503 -5.135 -3.035 350 1HG LYS 50 1HG LYS 50 1.466 -4.030 -4.462 351 2HG LYS 50 2HG LYS 50 2.802 -3.556 -5.492 352 1HD LYS 50 1HD LYS 50 3.315 -6.269 -4.816 353 2HD LYS 50 2HD LYS 50 1.595 -6.197 -5.139 354 1HE LYS 50 1HE LYS 50 2.648 -4.647 -7.208 355 2HE LYS 50 2HE LYS 50 3.876 -5.882 -7.007 356 1HZ LYS 50 1HZ LYS 50 1.875 -7.453 -6.990 357 2HZ LYS 50 2HZ LYS 50 1.064 -6.220 -7.689 358 3HZ LYS 50 3HZ LYS 50 2.383 -6.849 -8.420 359 HA PRO 51 HA PRO 51 4.209 -3.275 1.338 360 1HB PRO 51 1HB PRO 51 4.312 -5.856 2.230 361 2HB PRO 51 2HB PRO 51 2.910 -4.826 2.437 362 1HG PRO 51 1HG PRO 51 3.306 -7.060 0.541 363 2HG PRO 51 2HG PRO 51 1.808 -6.310 1.056 364 1HD PRO 51 1HD PRO 51 3.154 -5.912 -1.445 365 2HD PRO 51 2HD PRO 51 1.721 -5.076 -0.882 366 H LEU 52 H LEU 52 6.260 -2.723 1.691 367 HA LEU 52 HA LEU 52 8.285 -3.218 0.083 368 1HB LEU 52 1HB LEU 52 8.512 -1.783 1.960 369 2HB LEU 52 2HB LEU 52 8.290 -3.101 3.094 370 HG LEU 52 HG LEU 52 10.659 -2.858 1.222 371 1HD1 LEU 52 1HD1 LEU 52 10.562 -0.984 2.833 372 2HD1 LEU 52 2HD1 LEU 52 10.525 -2.162 4.168 373 3HD1 LEU 52 3HD1 LEU 52 11.950 -2.065 3.105 374 1HD2 LEU 52 1HD2 LEU 52 9.707 -4.954 3.004 375 2HD2 LEU 52 2HD2 LEU 52 10.979 -4.994 1.760 376 3HD2 LEU 52 3HD2 LEU 52 11.359 -4.426 3.404 377 H GLN 53 H GLN 53 9.824 -4.802 -0.404 378 HA GLN 53 HA GLN 53 8.931 -7.422 -0.120 379 1HB GLN 53 1HB GLN 53 11.216 -6.010 -1.352 380 2HB GLN 53 2HB GLN 53 11.631 -7.619 -0.797 381 1HG GLN 53 1HG GLN 53 10.733 -8.347 -2.762 382 2HG GLN 53 2HG GLN 53 9.177 -8.078 -2.002 383 2HE2 GLN 53 2HE2 GLN 53 8.841 -5.452 -1.895 384 1HE2 GLN 53 1HE2 GLN 53 8.839 -4.714 -3.462 385 H GLU 54 H GLU 54 8.628 -7.406 2.303 386 HA GLU 54 HA GLU 54 10.469 -7.051 4.170 387 1HB GLU 54 1HB GLU 54 9.165 -8.409 5.577 388 2HB GLU 54 2HB GLU 54 8.029 -7.967 4.318 389 1HG GLU 54 1HG GLU 54 7.699 -10.286 4.444 390 2HG GLU 54 2HG GLU 54 8.849 -10.172 3.126 391 H ALA 55 H ALA 55 12.481 -7.820 4.674 392 HA ALA 55 HA ALA 55 13.160 -10.551 4.246 393 1HB ALA 55 1HB ALA 55 13.863 -10.338 2.110 394 2HB ALA 55 2HB ALA 55 15.217 -9.392 2.773 395 3HB ALA 55 3HB ALA 55 13.762 -8.562 2.169 396 H GLU 56 H GLU 56 13.060 -9.449 6.627 397 HA GLU 56 HA GLU 56 14.124 -8.585 8.349 398 1HB GLU 56 1HB GLU 56 15.173 -10.977 7.688 399 2HB GLU 56 2HB GLU 56 16.636 -10.024 7.532 400 1HG GLU 56 1HG GLU 56 16.627 -9.384 9.816 401 2HG GLU 56 2HG GLU 56 14.913 -9.698 10.003 402 H CYS 57 H CYS 57 14.225 -6.337 7.740 403 HA CYS 57 HA CYS 57 16.087 -5.223 6.074 404 1HB CYS 57 1HB CYS 57 15.743 -3.150 7.579 405 2HB CYS 57 2HB CYS 57 14.398 -3.791 6.656 406 H THR 58 H THR 58 18.263 -4.619 6.296 407 HA THR 58 HA THR 58 19.967 -5.933 7.900 408 HB THR 58 HB THR 58 20.469 -4.362 5.956 409 HG1 THR 58 HG1 THR 58 22.511 -3.823 7.006 410 1HG2 THR 58 1HG2 THR 58 20.144 -2.308 8.203 411 2HG2 THR 58 2HG2 THR 58 21.077 -1.992 6.720 412 3HG2 THR 58 3HG2 THR 58 19.327 -2.304 6.621 413 H PHE 59 H PHE 59 20.969 -5.742 9.903 414 HA PHE 59 HA PHE 59 19.509 -5.175 12.049 415 1HB PHE 59 1HB PHE 59 22.299 -5.513 11.314 416 2HB PHE 59 2HB PHE 59 22.238 -4.200 12.473 417 HD1 PHE 59 HD1 PHE 59 21.236 -4.614 14.737 418 HD2 PHE 59 HD2 PHE 59 22.004 -7.764 11.999 419 HE1 PHE 59 HE1 PHE 59 21.105 -6.276 16.613 420 HE2 PHE 59 HE2 PHE 59 21.873 -9.426 13.875 421 HZ PHE 59 HZ PHE 59 21.425 -8.663 16.159 No H/Q in entry = 421 Start of MODEL 61 1 H GLU 1 H GLU 1 10.061 -16.284 19.595 2 HA GLU 1 HA GLU 1 8.332 -15.187 18.815 3 1HB GLU 1 1HB GLU 1 9.088 -13.466 20.903 4 2HB GLU 1 2HB GLU 1 9.001 -12.407 19.509 5 1HG GLU 1 1HG GLU 1 6.705 -13.087 19.036 6 2HG GLU 1 2HG GLU 1 6.780 -14.373 20.224 7 H GLU 2 H GLU 2 7.819 -13.419 17.073 8 HA GLU 2 HA GLU 2 10.246 -12.709 15.651 9 1HB GLU 2 1HB GLU 2 8.867 -14.919 14.874 10 2HB GLU 2 2HB GLU 2 7.962 -13.708 13.988 11 1HG GLU 2 1HG GLU 2 9.624 -13.508 12.458 12 2HG GLU 2 2HG GLU 2 10.788 -13.126 13.710 13 H TYR 3 H TYR 3 9.636 -11.170 13.709 14 HA TYR 3 HA TYR 3 7.854 -9.174 14.832 15 1HB TYR 3 1HB TYR 3 10.297 -8.992 13.758 16 2HB TYR 3 2HB TYR 3 9.465 -9.135 12.223 17 HD1 TYR 3 HD1 TYR 3 8.559 -7.244 15.335 18 HD2 TYR 3 HD2 TYR 3 9.559 -7.057 11.180 19 HE1 TYR 3 HE1 TYR 3 8.118 -4.740 15.335 20 HE2 TYR 3 HE2 TYR 3 9.115 -4.553 11.193 21 HH TYR 3 HH TYR 3 8.294 -2.885 14.208 22 H VAL 4 H VAL 4 5.899 -8.545 13.972 23 HA VAL 4 HA VAL 4 5.192 -9.516 11.329 24 HB VAL 4 HB VAL 4 2.909 -10.150 12.545 25 1HG1 VAL 4 1HG1 VAL 4 5.315 -11.668 11.745 26 2HG1 VAL 4 2HG1 VAL 4 4.199 -12.541 12.823 27 3HG1 VAL 4 3HG1 VAL 4 3.611 -11.882 11.278 28 1HG2 VAL 4 1HG2 VAL 4 4.133 -9.570 14.787 29 2HG2 VAL 4 2HG2 VAL 4 3.080 -11.002 14.695 30 3HG2 VAL 4 3HG2 VAL 4 4.848 -11.189 14.597 31 H GLY 5 H GLY 5 5.140 -7.392 10.565 32 1HA GLY 5 1HA GLY 5 4.652 -5.072 11.010 33 2HA GLY 5 2HA GLY 5 3.268 -5.577 11.959 34 H LEU 6 H LEU 6 1.280 -5.767 10.971 35 HA LEU 6 HA LEU 6 1.230 -6.150 8.086 36 1HB LEU 6 1HB LEU 6 -1.335 -5.951 9.442 37 2HB LEU 6 2HB LEU 6 -0.701 -7.200 8.389 38 HG LEU 6 HG LEU 6 -0.276 -6.933 11.374 39 1HD1 LEU 6 1HD1 LEU 6 -2.460 -7.872 10.361 40 2HD1 LEU 6 2HD1 LEU 6 -1.471 -9.288 9.931 41 3HD1 LEU 6 3HD1 LEU 6 -1.635 -8.801 11.635 42 1HD2 LEU 6 1HD2 LEU 6 1.417 -8.201 9.405 43 2HD2 LEU 6 2HD2 LEU 6 1.651 -8.013 11.159 44 3HD2 LEU 6 3HD2 LEU 6 0.740 -9.405 10.527 45 H SER 7 H SER 7 1.954 -3.591 9.796 46 HA SER 7 HA SER 7 0.702 -1.841 7.950 47 1HB SER 7 1HB SER 7 -0.212 -0.347 9.859 48 2HB SER 7 2HB SER 7 -1.152 -1.757 9.413 49 HG SER 7 HG SER 7 0.819 -1.954 11.495 50 H ALA 8 H ALA 8 2.048 -0.056 7.607 51 HA ALA 8 HA ALA 8 3.626 1.481 8.033 52 1HB ALA 8 1HB ALA 8 4.218 1.990 10.173 53 2HB ALA 8 2HB ALA 8 4.636 0.305 10.568 54 3HB ALA 8 3HB ALA 8 2.935 0.830 10.594 55 H ASN 9 H ASN 9 4.710 -1.673 9.496 56 HA ASN 9 HA ASN 9 7.256 -1.523 8.501 57 1HB ASN 9 1HB ASN 9 6.669 -3.155 10.223 58 2HB ASN 9 2HB ASN 9 5.481 -3.917 9.184 59 2HD2 ASN 9 2HD2 ASN 9 8.928 -3.179 9.504 60 1HD2 ASN 9 1HD2 ASN 9 9.539 -4.568 8.668 61 H GLN 10 H GLN 10 4.349 -3.343 7.257 62 HA GLN 10 HA GLN 10 5.613 -4.266 4.965 63 1HB GLN 10 1HB GLN 10 3.133 -4.500 4.164 64 2HB GLN 10 2HB GLN 10 3.663 -5.433 5.550 65 1HG GLN 10 1HG GLN 10 2.524 -4.058 7.093 66 2HG GLN 10 2HG GLN 10 2.513 -2.675 6.016 67 2HE2 GLN 10 2HE2 GLN 10 1.577 -6.088 5.611 68 1HE2 GLN 10 1HE2 GLN 10 -0.055 -5.810 5.100 69 H CYS 11 H CYS 11 4.109 -1.177 5.801 70 HA CYS 11 HA CYS 11 4.428 -0.346 3.009 71 1HB CYS 11 1HB CYS 11 2.826 1.332 4.850 72 2HB CYS 11 2HB CYS 11 2.607 0.993 3.145 73 H ALA 12 H ALA 12 6.742 -0.551 4.520 74 HA ALA 12 HA ALA 12 7.211 2.184 5.482 75 1HB ALA 12 1HB ALA 12 9.282 0.214 6.090 76 2HB ALA 12 2HB ALA 12 7.685 -0.305 6.681 77 3HB ALA 12 3HB ALA 12 8.355 1.263 7.190 78 H VAL 13 H VAL 13 7.047 1.831 2.712 79 HA VAL 13 HA VAL 13 9.732 1.374 1.743 80 HB VAL 13 HB VAL 13 7.674 2.481 -0.052 81 1HG1 VAL 13 1HG1 VAL 13 9.943 0.647 -0.111 82 2HG1 VAL 13 2HG1 VAL 13 8.527 -0.009 -0.968 83 3HG1 VAL 13 3HG1 VAL 13 9.189 1.577 -1.428 84 1HG2 VAL 13 1HG2 VAL 13 7.178 0.009 1.586 85 2HG2 VAL 13 2HG2 VAL 13 6.046 1.287 1.082 86 3HG2 VAL 13 3HG2 VAL 13 6.612 0.082 -0.100 87 HA PRO 14 HA PRO 14 10.849 5.549 1.845 88 1HB PRO 14 1HB PRO 14 12.880 5.581 0.016 89 2HB PRO 14 2HB PRO 14 13.085 5.026 1.666 90 1HG PRO 14 1HG PRO 14 12.901 3.431 -0.816 91 2HG PRO 14 2HG PRO 14 13.518 2.953 0.752 92 1HD PRO 14 1HD PRO 14 10.976 2.254 -0.377 93 2HD PRO 14 2HD PRO 14 11.547 1.874 1.236 94 H ALA 15 H ALA 15 9.150 4.224 -0.589 95 HA ALA 15 HA ALA 15 7.681 5.319 -1.914 96 1HB ALA 15 1HB ALA 15 9.240 7.871 -2.012 97 2HB ALA 15 2HB ALA 15 7.482 7.608 -1.920 98 3HB ALA 15 3HB ALA 15 8.486 7.435 -0.460 99 H LYS 16 H LYS 16 11.141 5.137 -2.171 100 HA LYS 16 HA LYS 16 11.047 5.535 -5.057 101 1HB LYS 16 1HB LYS 16 13.491 5.474 -4.922 102 2HB LYS 16 2HB LYS 16 12.816 6.682 -3.847 103 1HG LYS 16 1HG LYS 16 14.536 5.488 -2.618 104 2HG LYS 16 2HG LYS 16 12.986 5.025 -1.943 105 1HD LYS 16 1HD LYS 16 13.073 2.864 -2.840 106 2HD LYS 16 2HD LYS 16 14.072 3.346 -4.197 107 1HE LYS 16 1HE LYS 16 15.647 3.882 -1.890 108 2HE LYS 16 2HE LYS 16 14.890 2.333 -1.577 109 1HZ LYS 16 1HZ LYS 16 16.370 3.009 -4.025 110 2HZ LYS 16 2HZ LYS 16 16.951 2.112 -2.789 111 3HZ LYS 16 3HZ LYS 16 15.704 1.557 -3.686 112 H ASP 17 H ASP 17 10.073 3.155 -3.111 113 HA ASP 17 HA ASP 17 11.131 1.142 -4.927 114 1HB ASP 17 1HB ASP 17 12.296 0.655 -2.911 115 2HB ASP 17 2HB ASP 17 10.930 1.093 -1.904 116 H ARG 18 H ARG 18 8.565 2.875 -4.544 117 HA ARG 18 HA ARG 18 6.604 1.047 -3.663 118 1HB ARG 18 1HB ARG 18 6.161 3.552 -5.355 119 2HB ARG 18 2HB ARG 18 5.006 2.788 -4.282 120 1HG ARG 18 1HG ARG 18 7.643 4.024 -3.360 121 2HG ARG 18 2HG ARG 18 6.098 4.849 -3.303 122 1HD ARG 18 1HD ARG 18 5.303 2.702 -1.954 123 2HD ARG 18 2HD ARG 18 7.018 2.448 -1.695 124 HE ARG 18 HE ARG 18 6.936 4.149 -0.111 125 1HH1 ARG 18 1HH1 ARG 18 4.422 4.746 -2.501 126 2HH1 ARG 18 2HH1 ARG 18 3.828 6.166 -1.707 127 1HH2 ARG 18 1HH2 ARG 18 6.151 6.023 0.936 128 2HH2 ARG 18 2HH2 ARG 18 4.818 6.897 0.260 129 H VAL 19 H VAL 19 6.430 -0.832 -4.914 130 HA VAL 19 HA VAL 19 6.833 -0.885 -7.686 131 HB VAL 19 HB VAL 19 5.277 -2.798 -5.936 132 1HG1 VAL 19 1HG1 VAL 19 4.978 -3.149 -8.363 133 2HG1 VAL 19 2HG1 VAL 19 6.744 -3.262 -8.556 134 3HG1 VAL 19 3HG1 VAL 19 5.874 -4.485 -7.599 135 1HG2 VAL 19 1HG2 VAL 19 8.242 -2.459 -6.402 136 2HG2 VAL 19 2HG2 VAL 19 7.358 -2.611 -4.865 137 3HG2 VAL 19 3HG2 VAL 19 7.545 -4.026 -5.928 138 H ASP 20 H ASP 20 4.244 0.332 -5.763 139 HA ASP 20 HA ASP 20 2.262 1.083 -6.218 140 1HB ASP 20 1HB ASP 20 3.169 2.490 -7.910 141 2HB ASP 20 2HB ASP 20 3.511 1.144 -8.979 142 H CYS 21 H CYS 21 0.539 -0.340 -5.920 143 HA CYS 21 HA CYS 21 0.438 -2.745 -7.496 144 1HB CYS 21 1HB CYS 21 -1.836 -2.726 -5.954 145 2HB CYS 21 2HB CYS 21 -0.310 -3.486 -5.549 146 H GLY 22 H GLY 22 -0.711 0.513 -7.613 147 1HA GLY 22 1HA GLY 22 -2.199 0.043 -9.996 148 2HA GLY 22 2HA GLY 22 -2.007 1.558 -9.137 149 H TYR 23 H TYR 23 -3.660 2.330 -7.823 150 HA TYR 23 HA TYR 23 -6.078 0.693 -7.801 151 1HB TYR 23 1HB TYR 23 -4.420 1.836 -5.508 152 2HB TYR 23 2HB TYR 23 -6.160 1.788 -5.309 153 HD1 TYR 23 HD1 TYR 23 -7.334 -0.501 -5.601 154 HD2 TYR 23 HD2 TYR 23 -3.112 -0.069 -5.057 155 HE1 TYR 23 HE1 TYR 23 -7.174 -2.926 -4.853 156 HE2 TYR 23 HE2 TYR 23 -2.967 -2.495 -4.312 157 HH TYR 23 HH TYR 23 -4.672 -4.668 -4.914 158 HA PRO 24 HA PRO 24 -7.823 4.553 -8.705 159 1HB PRO 24 1HB PRO 24 -10.467 3.997 -8.291 160 2HB PRO 24 2HB PRO 24 -9.616 3.568 -9.762 161 1HG PRO 24 1HG PRO 24 -10.456 1.821 -7.530 162 2HG PRO 24 2HG PRO 24 -10.001 1.374 -9.163 163 1HD PRO 24 1HD PRO 24 -8.396 1.110 -6.800 164 2HD PRO 24 2HD PRO 24 -7.901 0.772 -8.447 165 H HIS 25 H HIS 25 -10.174 3.634 -6.300 166 HA HIS 25 HA HIS 25 -9.697 6.131 -4.988 167 1HB HIS 25 1HB HIS 25 -11.624 5.604 -3.681 168 2HB HIS 25 2HB HIS 25 -11.962 5.181 -5.348 169 HD1 HIS 25 HD1 HIS 25 -13.676 3.872 -3.224 170 HD2 HIS 25 HD2 HIS 25 -10.074 2.201 -4.576 171 HE1 HIS 25 HE1 HIS 25 -13.806 1.377 -2.705 172 HE2 HIS 25 HE2 HIS 25 -11.588 0.396 -3.607 173 H VAL 26 H VAL 26 -7.451 5.824 -4.338 174 HA VAL 26 HA VAL 26 -6.980 3.723 -2.393 175 HB VAL 26 HB VAL 26 -4.655 4.615 -2.482 176 1HG1 VAL 26 1HG1 VAL 26 -6.015 3.755 -5.050 177 2HG1 VAL 26 2HG1 VAL 26 -4.248 3.886 -4.878 178 3HG1 VAL 26 3HG1 VAL 26 -5.159 2.741 -3.863 179 1HG2 VAL 26 1HG2 VAL 26 -5.647 6.942 -3.321 180 2HG2 VAL 26 2HG2 VAL 26 -4.006 6.407 -3.755 181 3HG2 VAL 26 3HG2 VAL 26 -5.342 6.212 -4.915 182 H THR 27 H THR 27 -6.697 4.046 -0.192 183 HA THR 27 HA THR 27 -6.543 6.746 0.830 184 HB THR 27 HB THR 27 -8.666 6.785 1.877 185 HG1 THR 27 HG1 THR 27 -9.817 4.589 1.963 186 1HG2 THR 27 1HG2 THR 27 -9.089 5.060 -0.620 187 2HG2 THR 27 2HG2 THR 27 -10.390 5.882 0.274 188 3HG2 THR 27 3HG2 THR 27 -9.140 6.838 -0.559 189 HA PRO 28 HA PRO 28 -4.546 4.779 4.083 190 1HB PRO 28 1HB PRO 28 -5.297 6.137 6.333 191 2HB PRO 28 2HB PRO 28 -4.113 6.749 5.194 192 1HG PRO 28 1HG PRO 28 -6.921 7.589 5.579 193 2HG PRO 28 2HG PRO 28 -5.620 8.443 4.773 194 1HD PRO 28 1HD PRO 28 -7.778 7.027 3.522 195 2HD PRO 28 2HD PRO 28 -6.415 7.782 2.720 196 H LYS 29 H LYS 29 -6.816 3.366 3.236 197 HA LYS 29 HA LYS 29 -6.994 1.522 5.285 198 1HB LYS 29 1HB LYS 29 -8.321 3.607 6.227 199 2HB LYS 29 2HB LYS 29 -9.604 2.998 5.201 200 1HG LYS 29 1HG LYS 29 -8.115 1.155 7.110 201 2HG LYS 29 2HG LYS 29 -9.471 2.121 7.659 202 1HD LYS 29 1HD LYS 29 -9.984 0.642 5.128 203 2HD LYS 29 2HD LYS 29 -9.679 -0.392 6.510 204 1HE LYS 29 1HE LYS 29 -11.442 1.739 7.359 205 2HE LYS 29 2HE LYS 29 -12.083 1.062 5.875 206 1HZ LYS 29 1HZ LYS 29 -11.312 -1.095 7.317 207 2HZ LYS 29 2HZ LYS 29 -11.951 -0.102 8.446 208 3HZ LYS 29 3HZ LYS 29 -12.843 -0.550 7.153 209 H GLU 30 H GLU 30 -8.844 3.179 2.657 210 HA GLU 30 HA GLU 30 -10.091 0.812 1.827 211 1HB GLU 30 1HB GLU 30 -10.969 3.087 1.341 212 2HB GLU 30 2HB GLU 30 -9.589 3.412 0.311 213 1HG GLU 30 1HG GLU 30 -10.494 2.268 -1.440 214 2HG GLU 30 2HG GLU 30 -10.891 0.887 -0.436 215 H CYS 31 H CYS 31 -7.121 2.585 0.803 216 HA CYS 31 HA CYS 31 -6.587 0.949 -1.405 217 1HB CYS 31 1HB CYS 31 -5.435 2.902 -1.539 218 2HB CYS 31 2HB CYS 31 -5.114 2.979 0.182 219 H ASN 32 H ASN 32 -6.000 0.732 2.105 220 HA ASN 32 HA ASN 32 -4.250 -1.519 1.728 221 1HB ASN 32 1HB ASN 32 -3.617 -0.021 3.526 222 2HB ASN 32 2HB ASN 32 -5.249 0.026 4.163 223 2HD2 ASN 32 2HD2 ASN 32 -5.197 -0.860 6.088 224 1HD2 ASN 32 1HD2 ASN 32 -4.513 -2.393 6.513 225 H ASN 33 H ASN 33 -7.535 -0.977 1.606 226 HA ASN 33 HA ASN 33 -8.267 -3.268 3.203 227 1HB ASN 33 1HB ASN 33 -9.730 -1.324 3.429 228 2HB ASN 33 2HB ASN 33 -9.874 -1.152 1.691 229 2HD2 ASN 33 2HD2 ASN 33 -11.562 -1.955 4.258 230 1HD2 ASN 33 1HD2 ASN 33 -12.621 -3.187 3.659 231 H ARG 34 H ARG 34 -8.178 -1.997 -0.169 232 HA ARG 34 HA ARG 34 -9.577 -4.069 -1.344 233 1HB ARG 34 1HB ARG 34 -8.535 -1.700 -2.220 234 2HB ARG 34 2HB ARG 34 -7.333 -2.789 -2.883 235 1HG ARG 34 1HG ARG 34 -10.333 -2.794 -3.414 236 2HG ARG 34 2HG ARG 34 -9.046 -2.515 -4.570 237 1HD ARG 34 1HD ARG 34 -8.249 -4.877 -4.236 238 2HD ARG 34 2HD ARG 34 -9.563 -5.151 -3.109 239 HE ARG 34 HE ARG 34 -11.116 -5.145 -4.908 240 1HH1 ARG 34 1HH1 ARG 34 -7.887 -4.299 -6.021 241 2HH1 ARG 34 2HH1 ARG 34 -8.275 -4.494 -7.698 242 1HH2 ARG 34 1HH2 ARG 34 -11.629 -5.404 -7.120 243 2HH2 ARG 34 2HH2 ARG 34 -10.418 -5.127 -8.327 244 H GLY 35 H GLY 35 -6.301 -3.825 -0.089 245 1HA GLY 35 1HA GLY 35 -5.659 -6.459 -1.277 246 2HA GLY 35 2HA GLY 35 -5.276 -6.002 0.370 247 H CYS 36 H CYS 36 -3.831 -4.009 0.664 248 HA CYS 36 HA CYS 36 -1.459 -4.369 -0.630 249 1HB CYS 36 1HB CYS 36 -3.181 -3.140 -2.419 250 2HB CYS 36 2HB CYS 36 -2.272 -1.797 -1.756 251 H CYS 37 H CYS 37 -0.587 -1.552 -0.657 252 HA CYS 37 HA CYS 37 -1.156 -0.850 2.131 253 1HB CYS 37 1HB CYS 37 1.441 -1.156 0.707 254 2HB CYS 37 2HB CYS 37 1.298 0.172 1.842 255 H PHE 38 H PHE 38 -1.195 1.476 2.557 256 HA PHE 38 HA PHE 38 -1.508 3.042 0.093 257 1HB PHE 38 1HB PHE 38 -3.615 2.725 1.362 258 2HB PHE 38 2HB PHE 38 -2.815 3.109 2.873 259 HD1 PHE 38 HD1 PHE 38 -4.105 4.520 -0.270 260 HD2 PHE 38 HD2 PHE 38 -2.472 5.381 3.551 261 HE1 PHE 38 HE1 PHE 38 -4.771 6.926 -0.528 262 HE2 PHE 38 HE2 PHE 38 -3.138 7.788 3.293 263 HZ PHE 38 HZ PHE 38 -4.279 8.531 1.256 264 H ASP 39 H ASP 39 -1.310 5.546 0.674 265 HA ASP 39 HA ASP 39 0.317 6.270 2.791 266 1HB ASP 39 1HB ASP 39 2.150 5.115 1.733 267 2HB ASP 39 2HB ASP 39 1.709 5.709 0.145 268 H SER 40 H SER 40 0.479 8.610 2.822 269 HA SER 40 HA SER 40 -0.453 9.923 0.400 270 1HB SER 40 1HB SER 40 -1.882 11.423 1.751 271 2HB SER 40 2HB SER 40 -2.378 9.751 1.930 272 HG SER 40 HG SER 40 -0.805 11.314 3.792 273 H ARG 41 H ARG 41 2.143 9.435 2.172 274 HA ARG 41 HA ARG 41 2.876 11.807 3.303 275 1HB ARG 41 1HB ARG 41 4.047 9.366 3.038 276 2HB ARG 41 2HB ARG 41 4.977 10.229 1.830 277 1HG ARG 41 1HG ARG 41 4.712 11.831 4.272 278 2HG ARG 41 2HG ARG 41 5.387 10.254 4.636 279 1HD ARG 41 1HD ARG 41 7.267 10.581 3.218 280 2HD ARG 41 2HD ARG 41 6.470 11.829 2.280 281 HE ARG 41 HE ARG 41 7.891 12.190 4.809 282 1HH1 ARG 41 1HH1 ARG 41 5.403 13.523 2.708 283 2HH1 ARG 41 2HH1 ARG 41 5.559 15.132 3.331 284 1HH2 ARG 41 1HH2 ARG 41 8.096 14.312 5.632 285 2HH2 ARG 41 2HH2 ARG 41 7.101 15.584 5.006 286 H ILE 42 H ILE 42 3.435 10.579 -0.071 287 HA ILE 42 HA ILE 42 3.548 13.338 -0.972 288 HB ILE 42 HB ILE 42 5.584 12.254 -2.430 289 1HG1 ILE 42 1HG1 ILE 42 7.173 11.279 -0.799 290 2HG1 ILE 42 2HG1 ILE 42 5.910 11.254 0.415 291 1HG2 ILE 42 1HG2 ILE 42 5.262 14.223 -0.281 292 2HG2 ILE 42 2HG2 ILE 42 6.911 13.565 -0.412 293 3HG2 ILE 42 3HG2 ILE 42 6.144 14.330 -1.824 294 1HD1 ILE 42 1HD1 ILE 42 5.081 10.013 -2.142 295 2HD1 ILE 42 2HD1 ILE 42 6.454 9.195 -1.359 296 3HD1 ILE 42 3HD1 ILE 42 4.922 9.402 -0.478 297 HA PRO 43 HA PRO 43 1.172 11.454 -4.062 298 1HB PRO 43 1HB PRO 43 0.905 13.580 -5.759 299 2HB PRO 43 2HB PRO 43 -0.093 13.358 -4.336 300 1HG PRO 43 1HG PRO 43 2.146 15.243 -4.754 301 2HG PRO 43 2HG PRO 43 0.885 15.288 -3.538 302 1HD PRO 43 1HD PRO 43 3.606 14.466 -3.158 303 2HD PRO 43 2HD PRO 43 2.317 14.402 -1.973 304 H GLY 44 H GLY 44 4.090 13.160 -4.930 305 1HA GLY 44 1HA GLY 44 5.772 12.428 -6.270 306 2HA GLY 44 2HA GLY 44 4.519 12.534 -7.490 307 H VAL 45 H VAL 45 4.930 10.230 -4.714 308 HA VAL 45 HA VAL 45 5.482 8.094 -6.594 309 HB VAL 45 HB VAL 45 6.324 6.945 -4.822 310 1HG1 VAL 45 1HG1 VAL 45 7.211 9.439 -5.012 311 2HG1 VAL 45 2HG1 VAL 45 6.541 9.554 -3.367 312 3HG1 VAL 45 3HG1 VAL 45 7.790 8.341 -3.736 313 1HG2 VAL 45 1HG2 VAL 45 4.361 8.402 -3.023 314 2HG2 VAL 45 2HG2 VAL 45 4.296 6.700 -3.539 315 3HG2 VAL 45 3HG2 VAL 45 5.591 7.251 -2.449 316 HA PRO 46 HA PRO 46 1.527 6.351 -6.436 317 1HB PRO 46 1HB PRO 46 1.931 3.659 -6.185 318 2HB PRO 46 2HB PRO 46 2.130 4.521 -7.698 319 1HG PRO 46 1HG PRO 46 4.207 3.474 -5.875 320 2HG PRO 46 2HG PRO 46 4.358 3.945 -7.556 321 1HD PRO 46 1HD PRO 46 5.219 5.446 -5.269 322 2HD PRO 46 2HD PRO 46 5.264 5.967 -6.941 323 H TRP 47 H TRP 47 0.684 7.425 -4.623 324 HA TRP 47 HA TRP 47 0.989 7.025 -2.075 325 1HB TRP 47 1HB TRP 47 -1.484 7.329 -3.699 326 2HB TRP 47 2HB TRP 47 -1.682 6.919 -2.007 327 HD1 TRP 47 HD1 TRP 47 1.226 9.236 -2.974 328 HE1 TRP 47 HE1 TRP 47 0.848 11.687 -2.072 329 HE3 TRP 47 HE3 TRP 47 -3.559 8.491 -1.425 330 HZ2 TRP 47 HZ2 TRP 47 -1.360 13.009 -0.839 331 HZ3 TRP 47 HZ3 TRP 47 -4.755 10.414 -0.383 332 HH2 TRP 47 HH2 TRP 47 -3.732 12.613 -0.080 333 H CYS 48 H CYS 48 -1.062 4.775 -4.075 334 HA CYS 48 HA CYS 48 -0.947 2.842 -1.933 335 1HB CYS 48 1HB CYS 48 -3.003 3.433 -3.388 336 2HB CYS 48 2HB CYS 48 -2.255 2.423 -4.610 337 H PHE 49 H PHE 49 0.484 1.119 -1.917 338 HA PHE 49 HA PHE 49 1.627 0.229 -4.416 339 1HB PHE 49 1HB PHE 49 3.956 0.461 -3.261 340 2HB PHE 49 2HB PHE 49 3.231 1.956 -3.817 341 HD1 PHE 49 HD1 PHE 49 3.522 -0.175 -0.775 342 HD2 PHE 49 HD2 PHE 49 2.982 3.733 -2.340 343 HE1 PHE 49 HE1 PHE 49 3.712 0.778 1.539 344 HE2 PHE 49 HE2 PHE 49 3.172 4.686 -0.025 345 HZ PHE 49 HZ PHE 49 3.534 3.197 1.887 346 H LYS 50 H LYS 50 3.019 -1.772 -4.059 347 HA LYS 50 HA LYS 50 1.622 -3.547 -2.381 348 1HB LYS 50 1HB LYS 50 4.321 -4.035 -3.654 349 2HB LYS 50 2HB LYS 50 3.096 -5.214 -3.230 350 1HG LYS 50 1HG LYS 50 1.533 -3.968 -4.882 351 2HG LYS 50 2HG LYS 50 2.960 -3.113 -5.433 352 1HD LYS 50 1HD LYS 50 2.891 -4.929 -6.922 353 2HD LYS 50 2HD LYS 50 4.016 -5.508 -5.711 354 1HE LYS 50 1HE LYS 50 2.475 -7.019 -4.788 355 2HE LYS 50 2HE LYS 50 1.085 -6.071 -5.277 356 1HZ LYS 50 1HZ LYS 50 2.829 -7.444 -7.197 357 2HZ LYS 50 2HZ LYS 50 1.476 -8.117 -6.578 358 3HZ LYS 50 3HZ LYS 50 1.373 -6.768 -7.493 359 HA PRO 51 HA PRO 51 3.889 -3.352 1.286 360 1HB PRO 51 1HB PRO 51 4.009 -5.943 2.145 361 2HB PRO 51 2HB PRO 51 2.581 -4.941 2.318 362 1HG PRO 51 1HG PRO 51 3.082 -7.140 0.406 363 2HG PRO 51 2HG PRO 51 1.554 -6.424 0.881 364 1HD PRO 51 1HD PRO 51 2.977 -5.967 -1.568 365 2HD PRO 51 2HD PRO 51 1.510 -5.165 -1.042 366 H LEU 52 H LEU 52 5.915 -2.746 1.678 367 HA LEU 52 HA LEU 52 7.997 -3.227 0.128 368 1HB LEU 52 1HB LEU 52 8.122 -1.741 1.982 369 2HB LEU 52 2HB LEU 52 7.923 -3.046 3.136 370 HG LEU 52 HG LEU 52 10.323 -2.699 1.316 371 1HD1 LEU 52 1HD1 LEU 52 9.963 -0.923 3.111 372 2HD1 LEU 52 2HD1 LEU 52 10.258 -2.218 4.296 373 3HD1 LEU 52 3HD1 LEU 52 11.522 -1.783 3.119 374 1HD2 LEU 52 1HD2 LEU 52 9.436 -4.857 3.106 375 2HD2 LEU 52 2HD2 LEU 52 10.609 -4.874 1.767 376 3HD2 LEU 52 3HD2 LEU 52 11.109 -4.314 3.380 377 H GLN 53 H GLN 53 9.179 -4.911 -0.618 378 HA GLN 53 HA GLN 53 8.462 -7.500 0.177 379 1HB GLN 53 1HB GLN 53 10.678 -7.970 -1.269 380 2HB GLN 53 2HB GLN 53 9.160 -7.516 -2.018 381 1HG GLN 53 1HG GLN 53 11.227 -6.193 -2.778 382 2HG GLN 53 2HG GLN 53 9.840 -5.236 -2.298 383 2HE2 GLN 53 2HE2 GLN 53 10.329 -3.551 -1.140 384 1HE2 GLN 53 1HE2 GLN 53 11.597 -3.403 0.031 385 H GLU 54 H GLU 54 8.989 -6.684 2.594 386 HA GLU 54 HA GLU 54 11.379 -6.322 3.625 387 1HB GLU 54 1HB GLU 54 10.534 -7.125 5.667 388 2HB GLU 54 2HB GLU 54 9.075 -6.754 4.770 389 1HG GLU 54 1HG GLU 54 10.353 -9.512 5.074 390 2HG GLU 54 2HG GLU 54 8.871 -8.969 5.835 391 H ALA 55 H ALA 55 13.364 -7.271 3.483 392 HA ALA 55 HA ALA 55 13.511 -10.167 3.427 393 1HB ALA 55 1HB ALA 55 13.560 -10.042 1.132 394 2HB ALA 55 2HB ALA 55 15.277 -9.696 1.454 395 3HB ALA 55 3HB ALA 55 14.146 -8.361 1.126 396 H GLU 56 H GLU 56 14.497 -10.088 5.472 397 HA GLU 56 HA GLU 56 16.680 -8.291 5.857 398 1HB GLU 56 1HB GLU 56 14.849 -9.557 7.532 399 2HB GLU 56 2HB GLU 56 16.325 -10.447 7.849 400 1HG GLU 56 1HG GLU 56 16.880 -8.744 9.254 401 2HG GLU 56 2HG GLU 56 17.240 -7.819 7.810 402 H CYS 57 H CYS 57 16.303 -11.911 6.044 403 HA CYS 57 HA CYS 57 18.869 -12.629 6.274 404 1HB CYS 57 1HB CYS 57 16.538 -13.858 4.876 405 2HB CYS 57 2HB CYS 57 18.118 -14.572 4.615 406 H THR 58 H THR 58 20.732 -12.380 5.065 407 HA THR 58 HA THR 58 20.377 -11.562 2.255 408 HB THR 58 HB THR 58 21.179 -9.767 3.881 409 HG1 THR 58 HG1 THR 58 21.788 -10.031 1.528 410 1HG2 THR 58 1HG2 THR 58 23.355 -11.848 4.235 411 2HG2 THR 58 2HG2 THR 58 23.801 -10.125 4.240 412 3HG2 THR 58 3HG2 THR 58 22.650 -10.750 5.446 413 H PHE 59 H PHE 59 22.357 -12.041 0.877 414 HA PHE 59 HA PHE 59 23.531 -13.634 -0.109 415 1HB PHE 59 1HB PHE 59 24.634 -12.980 2.408 416 2HB PHE 59 2HB PHE 59 24.592 -14.731 2.463 417 HD1 PHE 59 HD1 PHE 59 25.494 -15.864 0.187 418 HD2 PHE 59 HD2 PHE 59 26.560 -12.010 1.610 419 HE1 PHE 59 HE1 PHE 59 27.614 -15.956 -1.153 420 HE2 PHE 59 HE2 PHE 59 28.680 -12.103 0.269 421 HZ PHE 59 HZ PHE 59 29.182 -14.074 -1.096 No H/Q in entry = 421 Start of MODEL 62 1 H GLU 1 H GLU 1 11.695 -10.415 14.992 2 HA GLU 1 HA GLU 1 12.383 -12.382 16.109 3 1HB GLU 1 1HB GLU 1 13.253 -10.433 18.064 4 2HB GLU 1 2HB GLU 1 12.200 -11.587 18.856 5 1HG GLU 1 1HG GLU 1 13.626 -13.389 18.460 6 2HG GLU 1 2HG GLU 1 14.255 -12.710 16.972 7 H GLU 2 H GLU 2 9.970 -11.190 15.145 8 HA GLU 2 HA GLU 2 8.116 -12.737 16.476 9 1HB GLU 2 1HB GLU 2 6.665 -10.626 17.218 10 2HB GLU 2 2HB GLU 2 7.834 -11.348 18.305 11 1HG GLU 2 1HG GLU 2 9.416 -9.623 17.979 12 2HG GLU 2 2HG GLU 2 8.754 -9.166 16.422 13 H TYR 3 H TYR 3 6.745 -13.279 14.836 14 HA TYR 3 HA TYR 3 6.691 -11.667 12.472 15 1HB TYR 3 1HB TYR 3 6.605 -14.071 12.220 16 2HB TYR 3 2HB TYR 3 5.513 -14.257 13.578 17 HD1 TYR 3 HD1 TYR 3 5.738 -13.300 10.011 18 HD2 TYR 3 HD2 TYR 3 3.123 -14.134 13.293 19 HE1 TYR 3 HE1 TYR 3 3.762 -13.419 8.416 20 HE2 TYR 3 HE2 TYR 3 1.156 -14.249 11.687 21 HH TYR 3 HH TYR 3 1.643 -13.742 8.200 22 H VAL 4 H VAL 4 5.441 -9.879 12.263 23 HA VAL 4 HA VAL 4 2.687 -9.965 12.536 24 HB VAL 4 HB VAL 4 2.872 -10.100 14.872 25 1HG1 VAL 4 1HG1 VAL 4 5.168 -8.214 14.523 26 2HG1 VAL 4 2HG1 VAL 4 4.250 -8.152 16.047 27 3HG1 VAL 4 3HG1 VAL 4 5.025 -9.671 15.537 28 1HG2 VAL 4 1HG2 VAL 4 1.830 -7.756 13.630 29 2HG2 VAL 4 2HG2 VAL 4 1.298 -8.545 15.135 30 3HG2 VAL 4 3HG2 VAL 4 2.543 -7.273 15.188 31 H GLY 5 H GLY 5 2.646 -8.879 10.586 32 1HA GLY 5 1HA GLY 5 4.171 -7.056 9.467 33 2HA GLY 5 2HA GLY 5 3.424 -6.060 10.701 34 H LEU 6 H LEU 6 1.421 -5.173 10.309 35 HA LEU 6 HA LEU 6 -0.032 -6.271 8.002 36 1HB LEU 6 1HB LEU 6 -1.644 -4.758 9.891 37 2HB LEU 6 2HB LEU 6 -1.938 -6.313 9.138 38 HG LEU 6 HG LEU 6 -0.089 -5.960 11.507 39 1HD1 LEU 6 1HD1 LEU 6 -2.969 -5.788 11.433 40 2HD1 LEU 6 2HD1 LEU 6 -2.453 -7.216 12.362 41 3HD1 LEU 6 3HD1 LEU 6 -1.852 -5.601 12.806 42 1HD2 LEU 6 1HD2 LEU 6 -1.153 -8.291 9.968 43 2HD2 LEU 6 2HD2 LEU 6 0.465 -8.007 10.653 44 3HD2 LEU 6 3HD2 LEU 6 -0.883 -8.471 11.718 45 H SER 7 H SER 7 0.281 -3.266 10.030 46 HA SER 7 HA SER 7 0.246 -1.816 7.498 47 1HB SER 7 1HB SER 7 -0.655 0.122 8.884 48 2HB SER 7 2HB SER 7 -1.751 -1.231 8.687 49 HG SER 7 HG SER 7 -0.060 -1.398 10.941 50 H ALA 8 H ALA 8 1.624 0.147 7.409 51 HA ALA 8 HA ALA 8 3.417 1.377 7.877 52 1HB ALA 8 1HB ALA 8 3.601 1.918 10.049 53 2HB ALA 8 2HB ALA 8 4.311 0.327 10.414 54 3HB ALA 8 3HB ALA 8 2.545 0.544 10.455 55 H ASN 9 H ASN 9 4.250 -1.657 9.686 56 HA ASN 9 HA ASN 9 6.756 -1.880 8.727 57 1HB ASN 9 1HB ASN 9 4.713 -3.989 9.550 58 2HB ASN 9 2HB ASN 9 6.337 -4.457 9.086 59 2HD2 ASN 9 2HD2 ASN 9 6.395 -5.271 11.286 60 1HD2 ASN 9 1HD2 ASN 9 6.857 -4.224 12.586 61 H GLN 10 H GLN 10 3.640 -3.052 7.324 62 HA GLN 10 HA GLN 10 4.908 -4.416 5.196 63 1HB GLN 10 1HB GLN 10 2.459 -4.612 6.318 64 2HB GLN 10 2HB GLN 10 2.041 -3.541 4.995 65 1HG GLN 10 1HG GLN 10 1.836 -5.468 3.779 66 2HG GLN 10 2HG GLN 10 3.582 -5.387 3.660 67 2HE2 GLN 10 2HE2 GLN 10 0.857 -6.786 5.352 68 1HE2 GLN 10 1HE2 GLN 10 1.673 -8.142 6.056 69 H CYS 11 H CYS 11 3.702 -1.132 5.795 70 HA CYS 11 HA CYS 11 4.316 -0.486 3.004 71 1HB CYS 11 1HB CYS 11 2.789 1.484 4.572 72 2HB CYS 11 2HB CYS 11 2.601 0.965 2.909 73 H ALA 12 H ALA 12 6.455 -0.848 4.758 74 HA ALA 12 HA ALA 12 7.100 1.803 5.795 75 1HB ALA 12 1HB ALA 12 8.641 0.724 7.175 76 2HB ALA 12 2HB ALA 12 8.842 -0.645 6.055 77 3HB ALA 12 3HB ALA 12 7.362 -0.506 7.033 78 H VAL 13 H VAL 13 6.879 1.803 3.032 79 HA VAL 13 HA VAL 13 9.623 1.492 2.068 80 HB VAL 13 HB VAL 13 7.711 2.305 0.077 81 1HG1 VAL 13 1HG1 VAL 13 9.967 0.748 0.235 82 2HG1 VAL 13 2HG1 VAL 13 8.688 -0.475 0.039 83 3HG1 VAL 13 3HG1 VAL 13 8.869 0.825 -1.163 84 1HG2 VAL 13 1HG2 VAL 13 6.910 -0.035 1.828 85 2HG2 VAL 13 2HG2 VAL 13 5.943 1.392 1.384 86 3HG2 VAL 13 3HG2 VAL 13 6.342 0.169 0.154 87 HA PRO 14 HA PRO 14 10.167 5.779 2.088 88 1HB PRO 14 1HB PRO 14 12.140 6.075 0.219 89 2HB PRO 14 2HB PRO 14 12.449 5.563 1.867 90 1HG PRO 14 1HG PRO 14 12.437 3.943 -0.606 91 2HG PRO 14 2HG PRO 14 13.143 3.563 0.952 92 1HD PRO 14 1HD PRO 14 10.698 2.518 -0.125 93 2HD PRO 14 2HD PRO 14 11.346 2.229 1.477 94 H ALA 15 H ALA 15 10.291 4.674 -1.273 95 HA ALA 15 HA ALA 15 7.971 5.619 -2.172 96 1HB ALA 15 1HB ALA 15 9.721 7.872 -1.410 97 2HB ALA 15 2HB ALA 15 7.966 7.836 -1.704 98 3HB ALA 15 3HB ALA 15 9.095 7.976 -3.073 99 H LYS 16 H LYS 16 11.451 5.264 -2.522 100 HA LYS 16 HA LYS 16 11.227 5.162 -5.420 101 1HB LYS 16 1HB LYS 16 13.651 5.067 -5.404 102 2HB LYS 16 2HB LYS 16 13.092 6.406 -4.422 103 1HG LYS 16 1HG LYS 16 14.542 5.536 -2.868 104 2HG LYS 16 2HG LYS 16 13.198 4.474 -2.498 105 1HD LYS 16 1HD LYS 16 14.299 3.069 -4.560 106 2HD LYS 16 2HD LYS 16 15.740 3.881 -3.980 107 1HE LYS 16 1HE LYS 16 15.263 3.033 -1.659 108 2HE LYS 16 2HE LYS 16 13.853 2.190 -2.269 109 1HZ LYS 16 1HZ LYS 16 15.535 1.174 -3.890 110 2HZ LYS 16 2HZ LYS 16 16.662 1.644 -2.806 111 3HZ LYS 16 3HZ LYS 16 15.479 0.610 -2.358 112 H ASP 17 H ASP 17 10.290 3.169 -3.047 113 HA ASP 17 HA ASP 17 11.293 0.835 -4.481 114 1HB ASP 17 1HB ASP 17 12.237 0.791 -2.254 115 2HB ASP 17 2HB ASP 17 10.713 1.251 -1.521 116 H ARG 18 H ARG 18 8.750 2.793 -4.378 117 HA ARG 18 HA ARG 18 6.678 1.063 -3.550 118 1HB ARG 18 1HB ARG 18 6.371 3.494 -5.367 119 2HB ARG 18 2HB ARG 18 5.186 2.837 -4.255 120 1HG ARG 18 1HG ARG 18 7.838 4.130 -3.459 121 2HG ARG 18 2HG ARG 18 6.262 4.887 -3.337 122 1HD ARG 18 1HD ARG 18 5.574 2.894 -1.830 123 2HD ARG 18 2HD ARG 18 7.272 2.461 -1.787 124 HE ARG 18 HE ARG 18 7.588 4.171 -0.241 125 1HH1 ARG 18 1HH1 ARG 18 4.789 4.971 -2.217 126 2HH1 ARG 18 2HH1 ARG 18 4.430 6.425 -1.347 127 1HH2 ARG 18 1HH2 ARG 18 7.116 6.090 0.907 128 2HH2 ARG 18 2HH2 ARG 18 5.763 7.066 0.442 129 H VAL 19 H VAL 19 5.990 -0.695 -4.728 130 HA VAL 19 HA VAL 19 6.693 -0.888 -7.508 131 HB VAL 19 HB VAL 19 4.937 -2.805 -6.010 132 1HG1 VAL 19 1HG1 VAL 19 6.315 -2.773 -8.519 133 2HG1 VAL 19 2HG1 VAL 19 7.035 -4.040 -7.496 134 3HG1 VAL 19 3HG1 VAL 19 5.286 -4.049 -7.826 135 1HG2 VAL 19 1HG2 VAL 19 7.820 -2.184 -5.471 136 2HG2 VAL 19 2HG2 VAL 19 6.524 -2.664 -4.349 137 3HG2 VAL 19 3HG2 VAL 19 7.281 -3.879 -5.407 138 H ASP 20 H ASP 20 4.178 0.551 -5.715 139 HA ASP 20 HA ASP 20 2.254 1.398 -6.244 140 1HB ASP 20 1HB ASP 20 3.197 2.489 -8.141 141 2HB ASP 20 2HB ASP 20 3.405 0.987 -9.019 142 H CYS 21 H CYS 21 0.370 0.242 -5.814 143 HA CYS 21 HA CYS 21 0.104 -2.402 -6.915 144 1HB CYS 21 1HB CYS 21 -0.516 -1.382 -4.502 145 2HB CYS 21 2HB CYS 21 -2.071 -1.199 -5.289 146 H GLY 22 H GLY 22 -0.901 0.889 -7.548 147 1HA GLY 22 1HA GLY 22 -2.195 0.190 -9.968 148 2HA GLY 22 2HA GLY 22 -2.121 1.773 -9.221 149 H TYR 23 H TYR 23 -3.785 2.464 -7.750 150 HA TYR 23 HA TYR 23 -6.235 0.891 -8.046 151 1HB TYR 23 1HB TYR 23 -4.692 1.796 -5.590 152 2HB TYR 23 2HB TYR 23 -6.438 1.914 -5.496 153 HD1 TYR 23 HD1 TYR 23 -7.722 -0.312 -6.294 154 HD2 TYR 23 HD2 TYR 23 -3.695 -0.167 -4.855 155 HE1 TYR 23 HE1 TYR 23 -7.848 -2.774 -5.670 156 HE2 TYR 23 HE2 TYR 23 -3.835 -2.629 -4.236 157 HH TYR 23 HH TYR 23 -6.765 -4.289 -4.102 158 HA PRO 24 HA PRO 24 -7.903 4.812 -8.806 159 1HB PRO 24 1HB PRO 24 -10.566 4.315 -8.449 160 2HB PRO 24 2HB PRO 24 -9.704 3.907 -9.919 161 1HG PRO 24 1HG PRO 24 -10.625 2.118 -7.753 162 2HG PRO 24 2HG PRO 24 -10.156 1.708 -9.391 163 1HD PRO 24 1HD PRO 24 -8.596 1.331 -7.014 164 2HD PRO 24 2HD PRO 24 -8.084 1.029 -8.662 165 H HIS 25 H HIS 25 -10.025 3.616 -6.256 166 HA HIS 25 HA HIS 25 -9.609 6.155 -4.923 167 1HB HIS 25 1HB HIS 25 -11.535 5.586 -3.608 168 2HB HIS 25 2HB HIS 25 -11.896 5.310 -5.300 169 HD1 HIS 25 HD1 HIS 25 -13.640 3.888 -3.277 170 HD2 HIS 25 HD2 HIS 25 -10.098 2.220 -4.785 171 HE1 HIS 25 HE1 HIS 25 -13.846 1.365 -2.959 172 HE2 HIS 25 HE2 HIS 25 -11.665 0.390 -3.954 173 H VAL 26 H VAL 26 -7.453 5.920 -4.146 174 HA VAL 26 HA VAL 26 -7.029 3.692 -2.301 175 HB VAL 26 HB VAL 26 -4.659 4.430 -2.421 176 1HG1 VAL 26 1HG1 VAL 26 -5.993 3.806 -5.078 177 2HG1 VAL 26 2HG1 VAL 26 -4.262 3.605 -4.715 178 3HG1 VAL 26 3HG1 VAL 26 -5.472 2.626 -3.852 179 1HG2 VAL 26 1HG2 VAL 26 -5.700 6.798 -3.419 180 2HG2 VAL 26 2HG2 VAL 26 -3.985 6.319 -3.423 181 3HG2 VAL 26 3HG2 VAL 26 -4.997 6.019 -4.857 182 H THR 27 H THR 27 -6.712 3.999 -0.103 183 HA THR 27 HA THR 27 -6.400 6.691 0.910 184 HB THR 27 HB THR 27 -8.506 6.859 1.947 185 HG1 THR 27 HG1 THR 27 -9.522 4.947 2.677 186 1HG2 THR 27 1HG2 THR 27 -9.034 5.030 -0.454 187 2HG2 THR 27 2HG2 THR 27 -10.300 5.910 0.436 188 3HG2 THR 27 3HG2 THR 27 -9.055 6.810 -0.465 189 HA PRO 28 HA PRO 28 -4.446 4.639 4.137 190 1HB PRO 28 1HB PRO 28 -5.108 6.022 6.399 191 2HB PRO 28 2HB PRO 28 -3.916 6.587 5.245 192 1HG PRO 28 1HG PRO 28 -6.682 7.542 5.671 193 2HG PRO 28 2HG PRO 28 -5.358 8.343 4.848 194 1HD PRO 28 1HD PRO 28 -7.589 7.020 3.625 195 2HD PRO 28 2HD PRO 28 -6.208 7.720 2.805 196 H LYS 29 H LYS 29 -6.811 3.346 3.321 197 HA LYS 29 HA LYS 29 -7.034 1.518 5.401 198 1HB LYS 29 1HB LYS 29 -8.288 3.624 6.328 199 2HB LYS 29 2HB LYS 29 -9.572 3.124 5.247 200 1HG LYS 29 1HG LYS 29 -8.273 1.176 7.196 201 2HG LYS 29 2HG LYS 29 -9.622 2.191 7.670 202 1HD LYS 29 1HD LYS 29 -10.108 0.827 5.098 203 2HD LYS 29 2HD LYS 29 -9.795 -0.307 6.396 204 1HE LYS 29 1HE LYS 29 -11.504 1.337 7.715 205 2HE LYS 29 2HE LYS 29 -12.063 1.645 6.083 206 1HZ LYS 29 1HZ LYS 29 -12.249 -0.773 5.810 207 2HZ LYS 29 2HZ LYS 29 -11.867 -0.980 7.385 208 3HZ LYS 29 3HZ LYS 29 -13.236 -0.189 6.973 209 H GLU 30 H GLU 30 -8.840 3.177 2.739 210 HA GLU 30 HA GLU 30 -10.111 0.814 1.930 211 1HB GLU 30 1HB GLU 30 -11.104 2.936 1.359 212 2HB GLU 30 2HB GLU 30 -9.639 3.498 0.578 213 1HG GLU 30 1HG GLU 30 -10.111 2.406 -1.380 214 2HG GLU 30 2HG GLU 30 -10.639 0.952 -0.556 215 H CYS 31 H CYS 31 -7.095 2.518 0.955 216 HA CYS 31 HA CYS 31 -6.584 0.871 -1.263 217 1HB CYS 31 1HB CYS 31 -5.440 2.846 -1.380 218 2HB CYS 31 2HB CYS 31 -5.059 2.872 0.330 219 H ASN 32 H ASN 32 -5.732 0.814 2.239 220 HA ASN 32 HA ASN 32 -4.062 -1.459 1.912 221 1HB ASN 32 1HB ASN 32 -3.419 -0.972 4.068 222 2HB ASN 32 2HB ASN 32 -4.334 0.507 3.852 223 2HD2 ASN 32 2HD2 ASN 32 -3.902 -2.175 5.732 224 1HD2 ASN 32 1HD2 ASN 32 -5.398 -2.212 6.605 225 H ASN 33 H ASN 33 -7.391 -0.955 1.808 226 HA ASN 33 HA ASN 33 -8.025 -3.388 3.244 227 1HB ASN 33 1HB ASN 33 -9.498 -1.518 3.767 228 2HB ASN 33 2HB ASN 33 -9.721 -1.133 2.072 229 2HD2 ASN 33 2HD2 ASN 33 -11.446 -1.869 1.090 230 1HD2 ASN 33 1HD2 ASN 33 -12.471 -3.166 1.608 231 H ARG 34 H ARG 34 -8.084 -1.778 0.026 232 HA ARG 34 HA ARG 34 -9.584 -3.628 -1.325 233 1HB ARG 34 1HB ARG 34 -8.331 -1.282 -1.980 234 2HB ARG 34 2HB ARG 34 -7.248 -2.410 -2.771 235 1HG ARG 34 1HG ARG 34 -8.949 -1.807 -4.385 236 2HG ARG 34 2HG ARG 34 -9.258 -3.464 -3.906 237 1HD ARG 34 1HD ARG 34 -10.916 -2.535 -2.167 238 2HD ARG 34 2HD ARG 34 -10.721 -0.969 -2.930 239 HE ARG 34 HE ARG 34 -12.006 -1.710 -4.747 240 1HH1 ARG 34 1HH1 ARG 34 -10.980 -4.482 -2.838 241 2HH1 ARG 34 2HH1 ARG 34 -11.973 -5.607 -3.703 242 1HH2 ARG 34 1HH2 ARG 34 -13.317 -3.194 -5.889 243 2HH2 ARG 34 2HH2 ARG 34 -13.311 -4.869 -5.450 244 H GLY 35 H GLY 35 -6.261 -3.741 -0.139 245 1HA GLY 35 1HA GLY 35 -5.854 -6.305 -1.561 246 2HA GLY 35 2HA GLY 35 -5.432 -6.045 0.120 247 H CYS 36 H CYS 36 -3.877 -4.124 0.560 248 HA CYS 36 HA CYS 36 -1.499 -4.566 -0.646 249 1HB CYS 36 1HB CYS 36 -3.121 -3.174 -2.475 250 2HB CYS 36 2HB CYS 36 -2.007 -1.981 -1.837 251 H CYS 37 H CYS 37 -0.511 -1.775 -0.677 252 HA CYS 37 HA CYS 37 -1.103 -1.066 2.105 253 1HB CYS 37 1HB CYS 37 1.465 -1.464 0.698 254 2HB CYS 37 2HB CYS 37 1.375 -0.022 1.690 255 H PHE 38 H PHE 38 -1.050 1.279 2.555 256 HA PHE 38 HA PHE 38 -1.453 2.851 0.107 257 1HB PHE 38 1HB PHE 38 -3.510 2.552 1.463 258 2HB PHE 38 2HB PHE 38 -2.645 2.934 2.938 259 HD1 PHE 38 HD1 PHE 38 -3.976 4.361 -0.193 260 HD2 PHE 38 HD2 PHE 38 -2.330 5.189 3.630 261 HE1 PHE 38 HE1 PHE 38 -4.630 6.772 -0.433 262 HE2 PHE 38 HE2 PHE 38 -2.984 7.600 3.390 263 HZ PHE 38 HZ PHE 38 -4.127 8.363 1.361 264 H ASP 39 H ASP 39 -1.196 5.349 0.672 265 HA ASP 39 HA ASP 39 0.479 6.091 2.725 266 1HB ASP 39 1HB ASP 39 2.215 4.763 1.590 267 2HB ASP 39 2HB ASP 39 1.876 5.554 0.064 268 H SER 40 H SER 40 0.588 8.412 2.720 269 HA SER 40 HA SER 40 -0.227 9.681 0.231 270 1HB SER 40 1HB SER 40 -1.710 11.205 1.475 271 2HB SER 40 2HB SER 40 -2.207 9.541 1.708 272 HG SER 40 HG SER 40 -2.187 10.213 3.777 273 H ARG 41 H ARG 41 2.348 9.213 1.928 274 HA ARG 41 HA ARG 41 3.056 11.578 3.127 275 1HB ARG 41 1HB ARG 41 4.232 9.139 2.855 276 2HB ARG 41 2HB ARG 41 5.172 10.012 1.661 277 1HG ARG 41 1HG ARG 41 6.104 11.476 3.251 278 2HG ARG 41 2HG ARG 41 4.768 11.288 4.369 279 1HD ARG 41 1HD ARG 41 5.503 8.944 4.858 280 2HD ARG 41 2HD ARG 41 6.837 9.126 3.736 281 HE ARG 41 HE ARG 41 7.113 11.283 5.490 282 1HH1 ARG 41 1HH1 ARG 41 6.964 7.784 5.829 283 2HH1 ARG 41 2HH1 ARG 41 7.953 7.751 7.250 284 1HH2 ARG 41 1HH2 ARG 41 8.419 11.241 7.365 285 2HH2 ARG 41 2HH2 ARG 41 8.786 9.731 8.130 286 H ILE 42 H ILE 42 3.413 10.422 -0.279 287 HA ILE 42 HA ILE 42 3.615 13.170 -1.142 288 HB ILE 42 HB ILE 42 5.638 12.121 -2.628 289 1HG1 ILE 42 1HG1 ILE 42 7.234 11.078 -1.058 290 2HG1 ILE 42 2HG1 ILE 42 5.997 11.040 0.183 291 1HG2 ILE 42 1HG2 ILE 42 5.794 13.697 -0.046 292 2HG2 ILE 42 2HG2 ILE 42 7.126 13.519 -1.213 293 3HG2 ILE 42 3HG2 ILE 42 5.623 14.341 -1.696 294 1HD1 ILE 42 1HD1 ILE 42 5.221 9.849 -2.450 295 2HD1 ILE 42 2HD1 ILE 42 6.457 8.968 -1.520 296 3HD1 ILE 42 3HD1 ILE 42 4.862 9.291 -0.799 297 HA PRO 43 HA PRO 43 1.193 11.291 -4.205 298 1HB PRO 43 1HB PRO 43 0.806 13.463 -5.819 299 2HB PRO 43 2HB PRO 43 -0.146 13.156 -4.380 300 1HG PRO 43 1HG PRO 43 2.013 15.134 -4.786 301 2HG PRO 43 2HG PRO 43 0.783 15.092 -3.538 302 1HD PRO 43 1HD PRO 43 3.542 14.356 -3.256 303 2HD PRO 43 2HD PRO 43 2.287 14.205 -2.042 304 H GLY 44 H GLY 44 4.105 13.006 -4.978 305 1HA GLY 44 1HA GLY 44 5.736 12.467 -6.441 306 2HA GLY 44 2HA GLY 44 4.442 12.482 -7.623 307 H VAL 45 H VAL 45 4.544 10.171 -4.894 308 HA VAL 45 HA VAL 45 5.362 8.075 -6.772 309 HB VAL 45 HB VAL 45 6.349 6.998 -5.048 310 1HG1 VAL 45 1HG1 VAL 45 6.273 9.889 -4.139 311 2HG1 VAL 45 2HG1 VAL 45 7.307 8.654 -3.382 312 3HG1 VAL 45 3HG1 VAL 45 7.528 9.068 -5.099 313 1HG2 VAL 45 1HG2 VAL 45 4.070 8.042 -3.406 314 2HG2 VAL 45 2HG2 VAL 45 4.671 6.378 -3.603 315 3HG2 VAL 45 3HG2 VAL 45 5.558 7.529 -2.575 316 HA PRO 46 HA PRO 46 1.497 6.154 -6.468 317 1HB PRO 46 1HB PRO 46 2.015 3.490 -6.150 318 2HB PRO 46 2HB PRO 46 2.148 4.314 -7.690 319 1HG PRO 46 1HG PRO 46 4.303 3.405 -5.883 320 2HG PRO 46 2HG PRO 46 4.401 3.832 -7.580 321 1HD PRO 46 1HD PRO 46 5.246 5.433 -5.354 322 2HD PRO 46 2HD PRO 46 5.236 5.906 -7.042 323 H TRP 47 H TRP 47 0.634 7.238 -4.674 324 HA TRP 47 HA TRP 47 1.035 6.880 -2.111 325 1HB TRP 47 1HB TRP 47 -1.477 7.178 -3.680 326 2HB TRP 47 2HB TRP 47 -1.629 6.802 -1.975 327 HD1 TRP 47 HD1 TRP 47 1.241 9.096 -3.125 328 HE1 TRP 47 HE1 TRP 47 0.914 11.560 -2.239 329 HE3 TRP 47 HE3 TRP 47 -3.447 8.374 -1.294 330 HZ2 TRP 47 HZ2 TRP 47 -1.221 12.901 -0.902 331 HZ3 TRP 47 HZ3 TRP 47 -4.582 10.312 -0.213 332 HH2 TRP 47 HH2 TRP 47 -3.545 12.515 -0.002 333 H CYS 48 H CYS 48 -1.047 4.621 -4.069 334 HA CYS 48 HA CYS 48 -0.865 2.696 -1.912 335 1HB CYS 48 1HB CYS 48 -3.006 3.306 -3.209 336 2HB CYS 48 2HB CYS 48 -2.351 2.326 -4.506 337 H PHE 49 H PHE 49 0.906 1.354 -1.918 338 HA PHE 49 HA PHE 49 1.796 0.362 -4.526 339 1HB PHE 49 1HB PHE 49 4.153 0.523 -3.394 340 2HB PHE 49 2HB PHE 49 3.435 2.037 -3.906 341 HD1 PHE 49 HD1 PHE 49 3.640 -0.171 -0.906 342 HD2 PHE 49 HD2 PHE 49 3.324 3.789 -2.398 343 HE1 PHE 49 HE1 PHE 49 3.867 0.726 1.427 344 HE2 PHE 49 HE2 PHE 49 3.551 4.686 -0.065 345 HZ PHE 49 HZ PHE 49 3.820 3.144 1.820 346 H LYS 50 H LYS 50 3.258 -1.636 -4.245 347 HA LYS 50 HA LYS 50 1.864 -3.528 -2.729 348 1HB LYS 50 1HB LYS 50 4.498 -3.564 -4.209 349 2HB LYS 50 2HB LYS 50 3.908 -4.967 -3.341 350 1HG LYS 50 1HG LYS 50 1.643 -4.281 -4.737 351 2HG LYS 50 2HG LYS 50 2.871 -3.711 -5.849 352 1HD LYS 50 1HD LYS 50 3.779 -6.262 -4.965 353 2HD LYS 50 2HD LYS 50 2.061 -6.455 -5.255 354 1HE LYS 50 1HE LYS 50 2.964 -4.915 -7.449 355 2HE LYS 50 2HE LYS 50 4.242 -6.086 -7.192 356 1HZ LYS 50 1HZ LYS 50 2.129 -7.634 -6.967 357 2HZ LYS 50 2HZ LYS 50 1.514 -6.521 -7.992 358 3HZ LYS 50 3HZ LYS 50 2.864 -7.347 -8.397 359 HA PRO 51 HA PRO 51 3.852 -3.422 1.100 360 1HB PRO 51 1HB PRO 51 3.982 -6.044 1.858 361 2HB PRO 51 2HB PRO 51 2.519 -5.087 1.967 362 1HG PRO 51 1HG PRO 51 3.216 -7.187 0.008 363 2HG PRO 51 2HG PRO 51 1.639 -6.531 0.399 364 1HD PRO 51 1HD PRO 51 3.220 -5.933 -1.918 365 2HD PRO 51 2HD PRO 51 1.698 -5.191 -1.468 366 H LEU 52 H LEU 52 5.827 -2.787 1.669 367 HA LEU 52 HA LEU 52 8.029 -3.089 0.286 368 1HB LEU 52 1HB LEU 52 8.366 -1.814 2.115 369 2HB LEU 52 2HB LEU 52 7.485 -2.890 3.182 370 HG LEU 52 HG LEU 52 10.099 -3.875 2.144 371 1HD1 LEU 52 1HD1 LEU 52 9.795 -1.428 3.820 372 2HD1 LEU 52 2HD1 LEU 52 11.067 -2.591 4.264 373 3HD1 LEU 52 3HD1 LEU 52 11.052 -1.868 2.638 374 1HD2 LEU 52 1HD2 LEU 52 8.451 -5.048 3.762 375 2HD2 LEU 52 2HD2 LEU 52 10.192 -5.071 4.131 376 3HD2 LEU 52 3HD2 LEU 52 9.116 -3.940 4.986 377 H GLN 53 H GLN 53 9.344 -4.651 -0.512 378 HA GLN 53 HA GLN 53 8.725 -7.345 0.294 379 1HB GLN 53 1HB GLN 53 9.994 -6.028 -2.065 380 2HB GLN 53 2HB GLN 53 10.629 -7.609 -1.658 381 1HG GLN 53 1HG GLN 53 8.838 -8.551 -2.675 382 2HG GLN 53 2HG GLN 53 7.808 -7.868 -1.432 383 2HE2 GLN 53 2HE2 GLN 53 8.265 -5.131 -1.993 384 1HE2 GLN 53 1HE2 GLN 53 7.488 -4.723 -3.486 385 H GLU 54 H GLU 54 9.996 -5.814 2.327 386 HA GLU 54 HA GLU 54 12.609 -7.112 2.340 387 1HB GLU 54 1HB GLU 54 12.047 -4.323 2.493 388 2HB GLU 54 2HB GLU 54 12.517 -4.805 4.111 389 1HG GLU 54 1HG GLU 54 14.115 -5.491 1.599 390 2HG GLU 54 2HG GLU 54 14.455 -4.112 2.625 391 H ALA 55 H ALA 55 10.200 -8.355 3.229 392 HA ALA 55 HA ALA 55 10.703 -8.385 6.123 393 1HB ALA 55 1HB ALA 55 8.323 -7.585 4.764 394 2HB ALA 55 2HB ALA 55 8.000 -9.168 5.513 395 3HB ALA 55 3HB ALA 55 8.568 -7.809 6.513 396 H GLU 56 H GLU 56 12.285 -10.046 4.961 397 HA GLU 56 HA GLU 56 11.354 -12.319 3.807 398 1HB GLU 56 1HB GLU 56 13.769 -11.696 5.515 399 2HB GLU 56 2HB GLU 56 13.486 -13.349 5.006 400 1HG GLU 56 1HG GLU 56 13.077 -11.972 2.634 401 2HG GLU 56 2HG GLU 56 14.314 -10.990 3.394 402 H CYS 57 H CYS 57 9.772 -13.682 4.520 403 HA CYS 57 HA CYS 57 10.018 -14.658 7.245 404 1HB CYS 57 1HB CYS 57 8.126 -12.724 6.597 405 2HB CYS 57 2HB CYS 57 7.227 -14.227 6.525 406 H THR 58 H THR 58 7.820 -14.773 4.334 407 HA THR 58 HA THR 58 7.051 -16.474 3.126 408 HB THR 58 HB THR 58 9.808 -17.517 3.926 409 HG1 THR 58 HG1 THR 58 10.146 -16.752 1.719 410 1HG2 THR 58 1HG2 THR 58 8.195 -19.412 3.226 411 2HG2 THR 58 2HG2 THR 58 8.035 -18.566 1.668 412 3HG2 THR 58 3HG2 THR 58 9.620 -19.192 2.182 413 H PHE 59 H PHE 59 6.009 -18.582 3.168 414 HA PHE 59 HA PHE 59 4.641 -19.983 4.195 415 1HB PHE 59 1HB PHE 59 7.012 -20.956 4.547 416 2HB PHE 59 2HB PHE 59 7.020 -20.212 6.134 417 HD1 PHE 59 HD1 PHE 59 4.634 -22.330 4.175 418 HD2 PHE 59 HD2 PHE 59 6.647 -21.683 7.854 419 HE1 PHE 59 HE1 PHE 59 3.532 -24.369 5.137 420 HE2 PHE 59 HE2 PHE 59 5.545 -23.722 8.816 421 HZ PHE 59 HZ PHE 59 4.000 -25.041 7.446 No H/Q in entry = 421 Start of MODEL 63 1 H GLU 1 H GLU 1 12.689 -16.077 13.219 2 HA GLU 1 HA GLU 1 13.386 -16.662 15.959 3 1HB GLU 1 1HB GLU 1 15.263 -15.348 14.587 4 2HB GLU 1 2HB GLU 1 14.217 -13.972 14.875 5 1HG GLU 1 1HG GLU 1 14.490 -15.505 17.336 6 2HG GLU 1 2HG GLU 1 16.081 -15.156 16.690 7 H GLU 2 H GLU 2 12.337 -13.870 13.862 8 HA GLU 2 HA GLU 2 9.722 -13.974 14.857 9 1HB GLU 2 1HB GLU 2 11.537 -12.650 16.578 10 2HB GLU 2 2HB GLU 2 10.693 -11.361 15.744 11 1HG GLU 2 1HG GLU 2 8.499 -12.578 16.315 12 2HG GLU 2 2HG GLU 2 9.442 -13.639 17.341 13 H TYR 3 H TYR 3 8.969 -13.720 12.761 14 HA TYR 3 HA TYR 3 9.626 -11.152 11.502 15 1HB TYR 3 1HB TYR 3 10.903 -12.752 10.231 16 2HB TYR 3 2HB TYR 3 9.753 -14.039 10.535 17 HD1 TYR 3 HD1 TYR 3 9.590 -10.635 8.939 18 HD2 TYR 3 HD2 TYR 3 8.711 -14.810 8.622 19 HE1 TYR 3 HE1 TYR 3 8.544 -10.249 6.654 20 HE2 TYR 3 HE2 TYR 3 7.668 -14.410 6.338 21 HH TYR 3 HH TYR 3 8.092 -12.494 4.478 22 H VAL 4 H VAL 4 7.692 -10.090 11.801 23 HA VAL 4 HA VAL 4 5.488 -10.947 10.260 24 HB VAL 4 HB VAL 4 5.240 -12.505 12.137 25 1HG1 VAL 4 1HG1 VAL 4 5.741 -10.081 13.706 26 2HG1 VAL 4 2HG1 VAL 4 4.319 -10.992 14.267 27 3HG1 VAL 4 3HG1 VAL 4 5.904 -11.795 14.158 28 1HG2 VAL 4 1HG2 VAL 4 3.213 -10.371 11.584 29 2HG2 VAL 4 2HG2 VAL 4 3.168 -12.114 11.225 30 3HG2 VAL 4 3HG2 VAL 4 2.883 -11.539 12.886 31 H GLY 5 H GLY 5 6.998 -8.691 10.075 32 1HA GLY 5 1HA GLY 5 7.062 -6.434 10.395 33 2HA GLY 5 2HA GLY 5 5.900 -6.569 11.699 34 H LEU 6 H LEU 6 3.817 -5.907 11.329 35 HA LEU 6 HA LEU 6 3.091 -5.482 8.517 36 1HB LEU 6 1HB LEU 6 0.779 -6.102 9.110 37 2HB LEU 6 2HB LEU 6 1.921 -7.430 9.173 38 HG LEU 6 HG LEU 6 1.918 -6.505 11.785 39 1HD1 LEU 6 1HD1 LEU 6 -0.432 -5.474 10.578 40 2HD1 LEU 6 2HD1 LEU 6 -0.924 -6.811 11.645 41 3HD1 LEU 6 3HD1 LEU 6 0.033 -5.459 12.296 42 1HD2 LEU 6 1HD2 LEU 6 0.880 -8.826 10.293 43 2HD2 LEU 6 2HD2 LEU 6 1.899 -8.749 11.750 44 3HD2 LEU 6 3HD2 LEU 6 0.135 -8.559 11.887 45 H SER 7 H SER 7 1.426 -3.751 8.233 46 HA SER 7 HA SER 7 0.681 -1.739 8.557 47 1HB SER 7 1HB SER 7 -0.167 -1.079 10.665 48 2HB SER 7 2HB SER 7 -0.207 -2.829 10.728 49 HG SER 7 HG SER 7 1.298 -2.853 12.276 50 H ALA 8 H ALA 8 2.218 -0.393 7.626 51 HA ALA 8 HA ALA 8 3.688 1.305 7.697 52 1HB ALA 8 1HB ALA 8 4.323 2.232 9.679 53 2HB ALA 8 2HB ALA 8 4.870 0.677 10.350 54 3HB ALA 8 3HB ALA 8 3.139 1.092 10.363 55 H ASN 9 H ASN 9 4.834 -1.677 9.424 56 HA ASN 9 HA ASN 9 7.425 -1.551 8.605 57 1HB ASN 9 1HB ASN 9 5.562 -3.629 9.601 58 2HB ASN 9 2HB ASN 9 6.812 -4.301 8.574 59 2HD2 ASN 9 2HD2 ASN 9 6.008 -3.426 11.652 60 1HD2 ASN 9 1HD2 ASN 9 7.574 -3.296 12.381 61 H GLN 10 H GLN 10 4.686 -3.479 7.146 62 HA GLN 10 HA GLN 10 6.183 -4.199 4.894 63 1HB GLN 10 1HB GLN 10 3.983 -4.998 4.008 64 2HB GLN 10 2HB GLN 10 4.304 -5.561 5.636 65 1HG GLN 10 1HG GLN 10 3.002 -3.271 6.269 66 2HG GLN 10 2HG GLN 10 2.296 -3.530 4.687 67 2HE2 GLN 10 2HE2 GLN 10 2.106 -6.192 4.438 68 1HE2 GLN 10 1HE2 GLN 10 1.052 -6.883 5.627 69 H CYS 11 H CYS 11 4.396 -1.329 5.800 70 HA CYS 11 HA CYS 11 4.521 -0.419 3.018 71 1HB CYS 11 1HB CYS 11 2.833 0.989 5.032 72 2HB CYS 11 2HB CYS 11 2.629 0.843 3.298 73 H ALA 12 H ALA 12 6.878 -0.477 4.563 74 HA ALA 12 HA ALA 12 7.159 2.325 5.408 75 1HB ALA 12 1HB ALA 12 9.328 1.093 6.462 76 2HB ALA 12 2HB ALA 12 7.770 1.214 7.314 77 3HB ALA 12 3HB ALA 12 8.193 -0.277 6.438 78 H VAL 13 H VAL 13 7.123 1.915 2.687 79 HA VAL 13 HA VAL 13 9.846 1.465 1.817 80 HB VAL 13 HB VAL 13 7.801 2.460 -0.066 81 1HG1 VAL 13 1HG1 VAL 13 10.116 0.649 -0.009 82 2HG1 VAL 13 2HG1 VAL 13 8.750 0.035 -0.971 83 3HG1 VAL 13 3HG1 VAL 13 9.455 1.627 -1.341 84 1HG2 VAL 13 1HG2 VAL 13 7.355 0.039 1.647 85 2HG2 VAL 13 2HG2 VAL 13 6.185 1.218 1.008 86 3HG2 VAL 13 3HG2 VAL 13 6.880 -0.018 -0.068 87 HA PRO 14 HA PRO 14 10.879 5.662 1.780 88 1HB PRO 14 1HB PRO 14 12.923 5.683 -0.034 89 2HB PRO 14 2HB PRO 14 13.126 5.180 1.632 90 1HG PRO 14 1HG PRO 14 12.994 3.512 -0.805 91 2HG PRO 14 2HG PRO 14 13.609 3.092 0.781 92 1HD PRO 14 1HD PRO 14 11.091 2.308 -0.345 93 2HD PRO 14 2HD PRO 14 11.657 1.986 1.281 94 H ALA 15 H ALA 15 9.194 4.248 -0.598 95 HA ALA 15 HA ALA 15 7.734 5.251 -1.988 96 1HB ALA 15 1HB ALA 15 8.524 7.436 -0.562 97 2HB ALA 15 2HB ALA 15 7.409 7.507 -1.948 98 3HB ALA 15 3HB ALA 15 9.138 7.865 -2.176 99 H LYS 16 H LYS 16 11.175 5.094 -2.189 100 HA LYS 16 HA LYS 16 11.134 5.503 -5.077 101 1HB LYS 16 1HB LYS 16 13.581 5.468 -4.892 102 2HB LYS 16 2HB LYS 16 12.864 6.686 -3.857 103 1HG LYS 16 1HG LYS 16 14.595 5.507 -2.595 104 2HG LYS 16 2HG LYS 16 13.033 5.114 -1.906 105 1HD LYS 16 1HD LYS 16 13.064 2.915 -2.712 106 2HD LYS 16 2HD LYS 16 14.079 3.313 -4.084 107 1HE LYS 16 1HE LYS 16 16.059 3.500 -2.661 108 2HE LYS 16 2HE LYS 16 15.092 3.376 -1.205 109 1HZ LYS 16 1HZ LYS 16 14.627 1.197 -2.936 110 2HZ LYS 16 2HZ LYS 16 16.214 1.318 -2.567 111 3HZ LYS 16 3HZ LYS 16 15.105 1.191 -1.374 112 H ASP 17 H ASP 17 10.263 3.100 -3.045 113 HA ASP 17 HA ASP 17 11.309 1.106 -4.889 114 1HB ASP 17 1HB ASP 17 12.544 0.710 -2.877 115 2HB ASP 17 2HB ASP 17 11.158 1.040 -1.857 116 H ARG 18 H ARG 18 8.724 2.735 -4.587 117 HA ARG 18 HA ARG 18 6.812 0.955 -3.536 118 1HB ARG 18 1HB ARG 18 6.288 3.258 -5.472 119 2HB ARG 18 2HB ARG 18 5.174 2.592 -4.294 120 1HG ARG 18 1HG ARG 18 7.819 3.746 -3.363 121 2HG ARG 18 2HG ARG 18 6.495 4.826 -3.751 122 1HD ARG 18 1HD ARG 18 5.237 2.892 -2.176 123 2HD ARG 18 2HD ARG 18 6.819 3.007 -1.432 124 HE ARG 18 HE ARG 18 5.523 5.595 -2.017 125 1HH1 ARG 18 1HH1 ARG 18 6.117 3.073 0.364 126 2HH1 ARG 18 2HH1 ARG 18 5.761 4.090 1.719 127 1HH2 ARG 18 1HH2 ARG 18 5.052 6.938 -0.229 128 2HH2 ARG 18 2HH2 ARG 18 5.151 6.304 1.379 129 H VAL 19 H VAL 19 5.690 -0.689 -4.585 130 HA VAL 19 HA VAL 19 6.470 -1.258 -7.304 131 HB VAL 19 HB VAL 19 4.638 -2.745 -5.413 132 1HG1 VAL 19 1HG1 VAL 19 5.978 -3.514 -8.019 133 2HG1 VAL 19 2HG1 VAL 19 5.309 -4.704 -6.877 134 3HG1 VAL 19 3HG1 VAL 19 4.240 -3.501 -7.636 135 1HG2 VAL 19 1HG2 VAL 19 7.462 -2.337 -5.268 136 2HG2 VAL 19 2HG2 VAL 19 6.432 -3.372 -4.249 137 3HG2 VAL 19 3HG2 VAL 19 7.169 -4.031 -5.729 138 H ASP 20 H ASP 20 4.147 0.674 -5.785 139 HA ASP 20 HA ASP 20 2.277 1.589 -6.398 140 1HB ASP 20 1HB ASP 20 3.744 2.230 -8.363 141 2HB ASP 20 2HB ASP 20 3.124 0.843 -9.237 142 H CYS 21 H CYS 21 0.499 0.337 -5.735 143 HA CYS 21 HA CYS 21 -0.004 -2.214 -6.849 144 1HB CYS 21 1HB CYS 21 -0.715 -0.904 -4.540 145 2HB CYS 21 2HB CYS 21 -2.222 -0.909 -5.433 146 H GLY 22 H GLY 22 -0.492 0.996 -7.919 147 1HA GLY 22 1HA GLY 22 -1.727 0.365 -10.292 148 2HA GLY 22 2HA GLY 22 -1.738 1.945 -9.533 149 H TYR 23 H TYR 23 -3.469 2.445 -7.927 150 HA TYR 23 HA TYR 23 -5.943 1.152 -8.749 151 1HB TYR 23 1HB TYR 23 -4.584 0.399 -6.437 152 2HB TYR 23 2HB TYR 23 -5.516 1.747 -5.816 153 HD1 TYR 23 HD1 TYR 23 -6.482 -0.810 -8.377 154 HD2 TYR 23 HD2 TYR 23 -7.161 0.778 -4.463 155 HE1 TYR 23 HE1 TYR 23 -8.504 -2.326 -8.105 156 HE2 TYR 23 HE2 TYR 23 -9.181 -0.743 -4.204 157 HH TYR 23 HH TYR 23 -10.573 -2.077 -5.253 158 HA PRO 24 HA PRO 24 -7.288 5.258 -8.471 159 1HB PRO 24 1HB PRO 24 -9.996 4.900 -8.561 160 2HB PRO 24 2HB PRO 24 -8.978 4.878 -9.988 161 1HG PRO 24 1HG PRO 24 -10.245 2.609 -8.579 162 2HG PRO 24 2HG PRO 24 -9.597 2.667 -10.206 163 1HD PRO 24 1HD PRO 24 -8.363 1.472 -7.908 164 2HD PRO 24 2HD PRO 24 -7.666 1.632 -9.508 165 H HIS 25 H HIS 25 -10.050 3.951 -6.814 166 HA HIS 25 HA HIS 25 -9.913 5.848 -4.813 167 1HB HIS 25 1HB HIS 25 -11.509 4.299 -3.614 168 2HB HIS 25 2HB HIS 25 -11.981 4.810 -5.222 169 HD1 HIS 25 HD1 HIS 25 -13.533 2.676 -5.371 170 HD2 HIS 25 HD2 HIS 25 -9.427 1.866 -5.074 171 HE1 HIS 25 HE1 HIS 25 -13.241 0.220 -5.998 172 HE2 HIS 25 HE2 HIS 25 -10.693 -0.205 -5.851 173 H VAL 26 H VAL 26 -7.746 5.975 -4.019 174 HA VAL 26 HA VAL 26 -6.993 3.666 -2.361 175 HB VAL 26 HB VAL 26 -4.671 4.460 -2.650 176 1HG1 VAL 26 1HG1 VAL 26 -6.236 3.754 -5.150 177 2HG1 VAL 26 2HG1 VAL 26 -4.458 3.769 -5.068 178 3HG1 VAL 26 3HG1 VAL 26 -5.387 2.650 -4.041 179 1HG2 VAL 26 1HG2 VAL 26 -5.945 6.769 -3.720 180 2HG2 VAL 26 2HG2 VAL 26 -4.992 6.029 -5.029 181 3HG2 VAL 26 3HG2 VAL 26 -4.205 6.469 -3.495 182 H THR 27 H THR 27 -7.201 4.018 -0.217 183 HA THR 27 HA THR 27 -6.642 6.713 0.779 184 HB THR 27 HB THR 27 -8.756 6.935 1.795 185 HG1 THR 27 HG1 THR 27 -9.468 5.101 2.809 186 1HG2 THR 27 1HG2 THR 27 -9.415 5.035 -0.517 187 2HG2 THR 27 2HG2 THR 27 -10.538 6.180 0.256 188 3HG2 THR 27 3HG2 THR 27 -9.164 6.788 -0.699 189 HA PRO 28 HA PRO 28 -4.781 4.668 4.066 190 1HB PRO 28 1HB PRO 28 -5.474 6.071 6.307 191 2HB PRO 28 2HB PRO 28 -4.254 6.617 5.173 192 1HG PRO 28 1HG PRO 28 -7.017 7.601 5.540 193 2HG PRO 28 2HG PRO 28 -5.670 8.385 4.738 194 1HD PRO 28 1HD PRO 28 -7.891 7.076 3.479 195 2HD PRO 28 2HD PRO 28 -6.486 7.757 2.682 196 H LYS 29 H LYS 29 -7.209 3.450 3.216 197 HA LYS 29 HA LYS 29 -7.471 1.615 5.301 198 1HB LYS 29 1HB LYS 29 -8.717 3.754 6.178 199 2HB LYS 29 2HB LYS 29 -9.989 3.242 5.087 200 1HG LYS 29 1HG LYS 29 -9.029 0.926 6.551 201 2HG LYS 29 2HG LYS 29 -9.382 2.208 7.693 202 1HD LYS 29 1HD LYS 29 -11.566 2.373 5.989 203 2HD LYS 29 2HD LYS 29 -11.237 0.652 5.967 204 1HE LYS 29 1HE LYS 29 -11.708 0.381 8.240 205 2HE LYS 29 2HE LYS 29 -11.208 2.009 8.653 206 1HZ LYS 29 1HZ LYS 29 -13.261 2.571 7.155 207 2HZ LYS 29 2HZ LYS 29 -13.751 1.089 7.635 208 3HZ LYS 29 3HZ LYS 29 -13.430 2.243 8.746 209 H GLU 30 H GLU 30 -8.887 3.262 2.447 210 HA GLU 30 HA GLU 30 -10.281 0.911 1.666 211 1HB GLU 30 1HB GLU 30 -10.614 3.562 1.121 212 2HB GLU 30 2HB GLU 30 -9.748 3.081 -0.325 213 1HG GLU 30 1HG GLU 30 -11.492 1.798 -1.113 214 2HG GLU 30 2HG GLU 30 -11.920 1.208 0.481 215 H CYS 31 H CYS 31 -7.170 2.515 0.924 216 HA CYS 31 HA CYS 31 -6.614 0.823 -1.294 217 1HB CYS 31 1HB CYS 31 -5.515 2.812 -1.505 218 2HB CYS 31 2HB CYS 31 -5.183 2.955 0.210 219 H ASN 32 H ASN 32 -6.239 0.771 2.227 220 HA ASN 32 HA ASN 32 -4.379 -1.425 2.056 221 1HB ASN 32 1HB ASN 32 -3.818 -0.897 4.240 222 2HB ASN 32 2HB ASN 32 -4.575 0.634 3.848 223 2HD2 ASN 32 2HD2 ASN 32 -4.318 -1.210 6.293 224 1HD2 ASN 32 1HD2 ASN 32 -5.913 -1.270 6.968 225 H ASN 33 H ASN 33 -7.634 -1.044 1.659 226 HA ASN 33 HA ASN 33 -8.393 -3.255 3.367 227 1HB ASN 33 1HB ASN 33 -9.993 -1.478 3.498 228 2HB ASN 33 2HB ASN 33 -9.914 -1.154 1.777 229 2HD2 ASN 33 2HD2 ASN 33 -11.448 -2.850 4.285 230 1HD2 ASN 33 1HD2 ASN 33 -12.551 -3.810 3.356 231 H ARG 34 H ARG 34 -8.346 -2.103 -0.069 232 HA ARG 34 HA ARG 34 -9.580 -4.236 -1.224 233 1HB ARG 34 1HB ARG 34 -8.561 -1.943 -2.179 234 2HB ARG 34 2HB ARG 34 -7.198 -2.963 -2.593 235 1HG ARG 34 1HG ARG 34 -10.043 -3.096 -3.614 236 2HG ARG 34 2HG ARG 34 -8.549 -3.083 -4.529 237 1HD ARG 34 1HD ARG 34 -8.016 -5.385 -3.676 238 2HD ARG 34 2HD ARG 34 -9.525 -5.397 -2.784 239 HE ARG 34 HE ARG 34 -10.032 -4.776 -5.556 240 1HH1 ARG 34 1HH1 ARG 34 -9.196 -7.459 -3.439 241 2HH1 ARG 34 2HH1 ARG 34 -9.897 -8.660 -4.472 242 1HH2 ARG 34 1HH2 ARG 34 -10.957 -6.359 -6.919 243 2HH2 ARG 34 2HH2 ARG 34 -10.906 -8.029 -6.465 244 H GLY 35 H GLY 35 -6.218 -3.833 -0.070 245 1HA GLY 35 1HA GLY 35 -5.622 -6.595 -0.949 246 2HA GLY 35 2HA GLY 35 -5.268 -6.019 0.668 247 H CYS 36 H CYS 36 -3.880 -3.921 0.781 248 HA CYS 36 HA CYS 36 -1.471 -4.426 -0.480 249 1HB CYS 36 1HB CYS 36 -3.238 -3.115 -2.226 250 2HB CYS 36 2HB CYS 36 -2.150 -1.867 -1.650 251 H CYS 37 H CYS 37 -0.608 -1.585 -0.585 252 HA CYS 37 HA CYS 37 -1.093 -0.861 2.213 253 1HB CYS 37 1HB CYS 37 1.476 -0.998 0.669 254 2HB CYS 37 2HB CYS 37 1.303 0.156 1.977 255 H PHE 38 H PHE 38 -1.211 1.451 2.617 256 HA PHE 38 HA PHE 38 -1.582 3.002 0.152 257 1HB PHE 38 1HB PHE 38 -3.666 2.640 1.448 258 2HB PHE 38 2HB PHE 38 -2.857 3.053 2.947 259 HD1 PHE 38 HD1 PHE 38 -4.081 4.447 -0.251 260 HD2 PHE 38 HD2 PHE 38 -2.698 5.302 3.668 261 HE1 PHE 38 HE1 PHE 38 -4.807 6.835 -0.516 262 HE2 PHE 38 HE2 PHE 38 -3.425 7.690 3.404 263 HZ PHE 38 HZ PHE 38 -4.470 8.428 1.314 264 H ASP 39 H ASP 39 -1.436 5.513 0.725 265 HA ASP 39 HA ASP 39 0.161 6.314 2.817 266 1HB ASP 39 1HB ASP 39 2.039 5.162 1.864 267 2HB ASP 39 2HB ASP 39 1.616 5.647 0.234 268 H SER 40 H SER 40 0.323 8.658 2.763 269 HA SER 40 HA SER 40 -0.527 9.889 0.274 270 1HB SER 40 1HB SER 40 -2.077 11.378 1.484 271 2HB SER 40 2HB SER 40 -2.536 9.700 1.701 272 HG SER 40 HG SER 40 -1.340 11.506 3.581 273 H ARG 41 H ARG 41 2.031 9.500 1.994 274 HA ARG 41 HA ARG 41 2.611 11.958 3.149 275 1HB ARG 41 1HB ARG 41 3.809 9.523 3.178 276 2HB ARG 41 2HB ARG 41 4.825 10.283 1.969 277 1HG ARG 41 1HG ARG 41 5.537 12.008 3.481 278 2HG ARG 41 2HG ARG 41 4.239 11.673 4.610 279 1HD ARG 41 1HD ARG 41 5.242 9.502 5.205 280 2HD ARG 41 2HD ARG 41 6.468 9.684 3.967 281 HE ARG 41 HE ARG 41 7.615 11.245 5.325 282 1HH1 ARG 41 1HH1 ARG 41 4.476 10.477 6.716 283 2HH1 ARG 41 2HH1 ARG 41 4.821 11.232 8.236 284 1HH2 ARG 41 1HH2 ARG 41 8.072 12.241 7.330 285 2HH2 ARG 41 2HH2 ARG 41 6.881 12.242 8.587 286 H ILE 42 H ILE 42 3.274 10.530 -0.109 287 HA ILE 42 HA ILE 42 3.599 13.229 -1.136 288 HB ILE 42 HB ILE 42 5.586 11.916 -2.481 289 1HG1 ILE 42 1HG1 ILE 42 7.067 10.961 -0.727 290 2HG1 ILE 42 2HG1 ILE 42 5.754 11.075 0.427 291 1HG2 ILE 42 1HG2 ILE 42 5.346 14.259 -1.300 292 2HG2 ILE 42 2HG2 ILE 42 6.287 13.461 -0.017 293 3HG2 ILE 42 3HG2 ILE 42 6.946 13.570 -1.667 294 1HD1 ILE 42 1HD1 ILE 42 4.982 9.735 -2.103 295 2HD1 ILE 42 2HD1 ILE 42 6.250 8.886 -1.188 296 3HD1 ILE 42 3HD1 ILE 42 4.685 9.242 -0.419 297 HA PRO 43 HA PRO 43 1.136 11.330 -4.157 298 1HB PRO 43 1HB PRO 43 0.905 13.440 -5.879 299 2HB PRO 43 2HB PRO 43 -0.097 13.253 -4.453 300 1HG PRO 43 1HG PRO 43 2.175 15.093 -4.893 301 2HG PRO 43 2HG PRO 43 0.916 15.175 -3.677 302 1HD PRO 43 1HD PRO 43 3.623 14.309 -3.289 303 2HD PRO 43 2HD PRO 43 2.334 14.282 -2.103 304 H GLY 44 H GLY 44 4.054 13.017 -5.088 305 1HA GLY 44 1HA GLY 44 5.724 12.263 -6.429 306 2HA GLY 44 2HA GLY 44 4.453 12.307 -7.636 307 H VAL 45 H VAL 45 4.764 10.105 -4.779 308 HA VAL 45 HA VAL 45 5.389 7.907 -6.578 309 HB VAL 45 HB VAL 45 6.235 6.829 -4.764 310 1HG1 VAL 45 1HG1 VAL 45 7.086 9.340 -5.036 311 2HG1 VAL 45 2HG1 VAL 45 6.442 9.472 -3.382 312 3HG1 VAL 45 3HG1 VAL 45 7.701 8.270 -3.753 313 1HG2 VAL 45 1HG2 VAL 45 4.072 8.209 -3.188 314 2HG2 VAL 45 2HG2 VAL 45 4.415 6.471 -3.363 315 3HG2 VAL 45 3HG2 VAL 45 5.471 7.489 -2.355 316 HA PRO 46 HA PRO 46 1.442 6.152 -6.364 317 1HB PRO 46 1HB PRO 46 1.858 3.474 -6.014 318 2HB PRO 46 2HB PRO 46 2.055 4.281 -7.557 319 1HG PRO 46 1HG PRO 46 4.135 3.310 -5.694 320 2HG PRO 46 2HG PRO 46 4.286 3.721 -7.391 321 1HD PRO 46 1HD PRO 46 5.137 5.308 -5.159 322 2HD PRO 46 2HD PRO 46 5.182 5.768 -6.849 323 H TRP 47 H TRP 47 0.527 7.250 -4.621 324 HA TRP 47 HA TRP 47 0.860 6.933 -2.041 325 1HB TRP 47 1HB TRP 47 -1.610 7.224 -3.679 326 2HB TRP 47 2HB TRP 47 -1.806 6.886 -1.970 327 HD1 TRP 47 HD1 TRP 47 1.120 9.125 -3.084 328 HE1 TRP 47 HE1 TRP 47 0.793 11.611 -2.262 329 HE3 TRP 47 HE3 TRP 47 -3.631 8.494 -1.385 330 HZ2 TRP 47 HZ2 TRP 47 -1.367 13.004 -1.022 331 HZ3 TRP 47 HZ3 TRP 47 -4.778 10.468 -0.382 332 HH2 TRP 47 HH2 TRP 47 -3.722 12.664 -0.187 333 H CYS 48 H CYS 48 -1.104 4.632 -4.063 334 HA CYS 48 HA CYS 48 -1.043 2.754 -1.852 335 1HB CYS 48 1HB CYS 48 -3.135 3.329 -3.212 336 2HB CYS 48 2HB CYS 48 -2.428 2.379 -4.504 337 H PHE 49 H PHE 49 0.766 1.463 -1.759 338 HA PHE 49 HA PHE 49 1.748 0.404 -4.309 339 1HB PHE 49 1HB PHE 49 4.056 0.595 -3.098 340 2HB PHE 49 2HB PHE 49 3.349 2.104 -3.639 341 HD1 PHE 49 HD1 PHE 49 3.544 -0.090 -0.635 342 HD2 PHE 49 HD2 PHE 49 3.097 3.854 -2.134 343 HE1 PHE 49 HE1 PHE 49 3.687 0.814 1.703 344 HE2 PHE 49 HE2 PHE 49 3.240 4.759 0.203 345 HZ PHE 49 HZ PHE 49 3.533 3.228 2.093 346 H LYS 50 H LYS 50 3.205 -1.583 -3.928 347 HA LYS 50 HA LYS 50 1.752 -3.381 -2.272 348 1HB LYS 50 1HB LYS 50 4.349 -3.840 -3.767 349 2HB LYS 50 2HB LYS 50 3.245 -5.064 -3.171 350 1HG LYS 50 1HG LYS 50 1.433 -3.985 -4.648 351 2HG LYS 50 2HG LYS 50 2.703 -3.012 -5.363 352 1HD LYS 50 1HD LYS 50 2.771 -4.787 -6.845 353 2HD LYS 50 2HD LYS 50 3.893 -5.412 -5.653 354 1HE LYS 50 1HE LYS 50 2.356 -6.957 -4.797 355 2HE LYS 50 2HE LYS 50 0.966 -5.976 -5.217 356 1HZ LYS 50 1HZ LYS 50 2.595 -7.015 -7.379 357 2HZ LYS 50 2HZ LYS 50 1.605 -8.054 -6.600 358 3HZ LYS 50 3HZ LYS 50 0.987 -6.734 -7.336 359 HA PRO 51 HA PRO 51 4.200 -3.332 1.283 360 1HB PRO 51 1HB PRO 51 4.321 -5.947 2.066 361 2HB PRO 51 2HB PRO 51 2.919 -4.931 2.334 362 1HG PRO 51 1HG PRO 51 3.295 -7.084 0.343 363 2HG PRO 51 2HG PRO 51 1.802 -6.360 0.909 364 1HD PRO 51 1HD PRO 51 3.113 -5.856 -1.592 365 2HD PRO 51 2HD PRO 51 1.685 -5.048 -0.975 366 H LEU 52 H LEU 52 6.250 -2.755 1.576 367 HA LEU 52 HA LEU 52 8.245 -3.235 -0.084 368 1HB LEU 52 1HB LEU 52 8.475 -1.782 1.790 369 2HB LEU 52 2HB LEU 52 8.330 -3.109 2.926 370 HG LEU 52 HG LEU 52 10.627 -2.771 0.978 371 1HD1 LEU 52 1HD1 LEU 52 10.282 -1.876 3.833 372 2HD1 LEU 52 2HD1 LEU 52 11.890 -2.237 3.160 373 3HD1 LEU 52 3HD1 LEU 52 10.884 -0.964 2.428 374 1HD2 LEU 52 1HD2 LEU 52 9.807 -4.923 2.779 375 2HD2 LEU 52 2HD2 LEU 52 10.984 -4.923 1.443 376 3HD2 LEU 52 3HD2 LEU 52 11.475 -4.369 3.062 377 H GLN 53 H GLN 53 9.733 -4.825 -0.643 378 HA GLN 53 HA GLN 53 8.884 -7.449 -0.231 379 1HB GLN 53 1HB GLN 53 11.107 -6.061 -1.636 380 2HB GLN 53 2HB GLN 53 11.478 -7.701 -1.143 381 1HG GLN 53 1HG GLN 53 10.373 -8.384 -3.008 382 2HG GLN 53 2HG GLN 53 8.892 -7.950 -2.178 383 2HE2 GLN 53 2HE2 GLN 53 8.700 -5.360 -2.123 384 1HE2 GLN 53 1HE2 GLN 53 8.742 -4.621 -3.688 385 H GLU 54 H GLU 54 8.785 -7.315 2.222 386 HA GLU 54 HA GLU 54 10.886 -6.938 3.849 387 1HB GLU 54 1HB GLU 54 9.698 -8.249 5.495 388 2HB GLU 54 2HB GLU 54 8.499 -7.438 4.508 389 1HG GLU 54 1HG GLU 54 8.757 -9.742 3.068 390 2HG GLU 54 2HG GLU 54 9.187 -10.355 4.653 391 H ALA 55 H ALA 55 12.930 -7.758 3.816 392 HA ALA 55 HA ALA 55 13.251 -10.626 3.645 393 1HB ALA 55 1HB ALA 55 13.556 -10.462 1.382 394 2HB ALA 55 2HB ALA 55 15.186 -9.946 1.875 395 3HB ALA 55 3HB ALA 55 13.957 -8.729 1.453 396 H GLU 56 H GLU 56 15.204 -7.567 3.338 397 HA GLU 56 HA GLU 56 16.155 -7.701 5.931 398 1HB GLU 56 1HB GLU 56 18.527 -8.394 5.489 399 2HB GLU 56 2HB GLU 56 17.378 -9.701 5.291 400 1HG GLU 56 1HG GLU 56 17.484 -9.591 2.896 401 2HG GLU 56 2HG GLU 56 18.225 -8.003 2.915 402 H CYS 57 H CYS 57 18.454 -6.327 5.958 403 HA CYS 57 HA CYS 57 17.726 -3.847 4.875 404 1HB CYS 57 1HB CYS 57 20.065 -3.189 5.618 405 2HB CYS 57 2HB CYS 57 18.947 -3.747 6.846 406 H THR 58 H THR 58 17.730 -3.502 2.670 407 HA THR 58 HA THR 58 20.042 -4.549 1.172 408 HB THR 58 HB THR 58 18.127 -5.694 0.338 409 HG1 THR 58 HG1 THR 58 19.384 -4.177 -1.190 410 1HG2 THR 58 1HG2 THR 58 16.709 -3.044 0.821 411 2HG2 THR 58 2HG2 THR 58 16.067 -4.207 -0.364 412 3HG2 THR 58 3HG2 THR 58 16.221 -4.673 1.347 413 H PHE 59 H PHE 59 17.909 -1.772 1.854 414 HA PHE 59 HA PHE 59 20.007 -0.052 0.872 415 1HB PHE 59 1HB PHE 59 17.183 -0.339 -0.276 416 2HB PHE 59 2HB PHE 59 18.020 1.196 -0.401 417 HD1 PHE 59 HD1 PHE 59 20.415 1.094 -1.464 418 HD2 PHE 59 HD2 PHE 59 17.463 -1.916 -1.951 419 HE1 PHE 59 HE1 PHE 59 21.572 0.295 -3.544 420 HE2 PHE 59 HE2 PHE 59 18.620 -2.714 -4.030 421 HZ PHE 59 HZ PHE 59 20.661 -1.599 -4.802 No H/Q in entry = 421 Start of MODEL 64 1 H GLU 1 H GLU 1 11.143 -9.884 22.027 2 HA GLU 1 HA GLU 1 11.965 -11.536 20.361 3 1HB GLU 1 1HB GLU 1 11.608 -12.042 22.810 4 2HB GLU 1 2HB GLU 1 9.985 -12.583 22.432 5 1HG GLU 1 1HG GLU 1 10.782 -14.625 21.867 6 2HG GLU 1 2HG GLU 1 11.748 -13.907 20.593 7 H GLU 2 H GLU 2 9.862 -10.175 18.919 8 HA GLU 2 HA GLU 2 9.028 -12.244 17.295 9 1HB GLU 2 1HB GLU 2 7.408 -12.155 19.544 10 2HB GLU 2 2HB GLU 2 6.508 -11.158 18.419 11 1HG GLU 2 1HG GLU 2 7.164 -13.218 16.751 12 2HG GLU 2 2HG GLU 2 7.150 -14.083 18.275 13 H TYR 3 H TYR 3 7.420 -11.391 15.559 14 HA TYR 3 HA TYR 3 7.977 -8.529 15.202 15 1HB TYR 3 1HB TYR 3 8.209 -9.124 12.915 16 2HB TYR 3 2HB TYR 3 8.666 -10.650 13.646 17 HD1 TYR 3 HD1 TYR 3 6.728 -12.377 14.035 18 HD2 TYR 3 HD2 TYR 3 6.479 -9.062 11.342 19 HE1 TYR 3 HE1 TYR 3 4.852 -13.537 12.769 20 HE2 TYR 3 HE2 TYR 3 4.605 -10.233 10.085 21 HH TYR 3 HH TYR 3 2.836 -12.587 11.274 22 H VAL 4 H VAL 4 6.317 -7.100 14.550 23 HA VAL 4 HA VAL 4 3.700 -8.063 14.002 24 HB VAL 4 HB VAL 4 3.502 -8.469 16.304 25 1HG1 VAL 4 1HG1 VAL 4 5.364 -6.234 16.556 26 2HG1 VAL 4 2HG1 VAL 4 4.022 -6.129 17.720 27 3HG1 VAL 4 3HG1 VAL 4 5.043 -7.586 17.667 28 1HG2 VAL 4 1HG2 VAL 4 1.981 -6.470 15.050 29 2HG2 VAL 4 2HG2 VAL 4 1.536 -7.424 16.486 30 3HG2 VAL 4 3HG2 VAL 4 2.327 -5.841 16.679 31 H GLY 5 H GLY 5 4.232 -6.776 12.113 32 1HA GLY 5 1HA GLY 5 5.100 -4.521 11.465 33 2HA GLY 5 2HA GLY 5 3.980 -3.878 12.650 34 H LEU 6 H LEU 6 1.929 -3.354 11.988 35 HA LEU 6 HA LEU 6 1.124 -4.402 9.367 36 1HB LEU 6 1HB LEU 6 -1.226 -4.317 10.252 37 2HB LEU 6 2HB LEU 6 -0.205 -5.611 10.847 38 HG LEU 6 HG LEU 6 -0.463 -3.084 12.450 39 1HD1 LEU 6 1HD1 LEU 6 -2.746 -4.259 11.654 40 2HD1 LEU 6 2HD1 LEU 6 -2.375 -5.265 13.075 41 3HD1 LEU 6 3HD1 LEU 6 -2.536 -3.501 13.251 42 1HD2 LEU 6 1HD2 LEU 6 0.943 -5.452 12.784 43 2HD2 LEU 6 2HD2 LEU 6 0.600 -4.232 14.034 44 3HD2 LEU 6 3HD2 LEU 6 -0.472 -5.641 13.847 45 H SER 7 H SER 7 0.158 -2.918 7.955 46 HA SER 7 HA SER 7 -0.006 -0.944 7.041 47 1HB SER 7 1HB SER 7 -1.628 0.548 8.031 48 2HB SER 7 2HB SER 7 -2.110 -1.089 8.428 49 HG SER 7 HG SER 7 -1.191 0.982 10.112 50 H ALA 8 H ALA 8 2.536 -1.027 7.578 51 HA ALA 8 HA ALA 8 3.409 1.528 7.945 52 1HB ALA 8 1HB ALA 8 2.654 0.353 10.455 53 2HB ALA 8 2HB ALA 8 3.383 1.948 10.150 54 3HB ALA 8 3HB ALA 8 4.424 0.531 10.427 55 H ASN 9 H ASN 9 4.749 -1.316 9.720 56 HA ASN 9 HA ASN 9 7.225 -1.140 8.692 57 1HB ASN 9 1HB ASN 9 6.616 -2.676 10.538 58 2HB ASN 9 2HB ASN 9 5.654 -3.657 9.451 59 2HD2 ASN 9 2HD2 ASN 9 6.585 -5.483 8.979 60 1HD2 ASN 9 1HD2 ASN 9 8.268 -5.768 8.688 61 H GLN 10 H GLN 10 4.374 -3.008 7.444 62 HA GLN 10 HA GLN 10 5.797 -4.106 5.283 63 1HB GLN 10 1HB GLN 10 3.440 -4.701 6.490 64 2HB GLN 10 2HB GLN 10 2.819 -3.795 5.124 65 1HG GLN 10 1HG GLN 10 2.990 -5.746 3.958 66 2HG GLN 10 2HG GLN 10 4.710 -5.415 3.897 67 2HE2 GLN 10 2HE2 GLN 10 2.225 -6.788 6.041 68 1HE2 GLN 10 1HE2 GLN 10 3.171 -8.095 6.670 69 H CYS 11 H CYS 11 4.051 -1.079 5.867 70 HA CYS 11 HA CYS 11 4.437 -0.404 3.042 71 1HB CYS 11 1HB CYS 11 2.608 1.230 4.712 72 2HB CYS 11 2HB CYS 11 2.519 0.812 3.013 73 H ALA 12 H ALA 12 6.682 -0.320 4.652 74 HA ALA 12 HA ALA 12 6.890 2.512 5.412 75 1HB ALA 12 1HB ALA 12 9.023 1.384 6.607 76 2HB ALA 12 2HB ALA 12 7.418 1.443 7.375 77 3HB ALA 12 3HB ALA 12 7.956 -0.040 6.551 78 H VAL 13 H VAL 13 6.967 1.924 2.693 79 HA VAL 13 HA VAL 13 9.707 1.482 1.929 80 HB VAL 13 HB VAL 13 7.725 2.497 -0.017 81 1HG1 VAL 13 1HG1 VAL 13 9.996 0.604 0.112 82 2HG1 VAL 13 2HG1 VAL 13 8.662 0.120 -0.962 83 3HG1 VAL 13 3HG1 VAL 13 9.472 1.686 -1.200 84 1HG2 VAL 13 1HG2 VAL 13 7.253 0.039 1.650 85 2HG2 VAL 13 2HG2 VAL 13 6.095 1.261 1.071 86 3HG2 VAL 13 3HG2 VAL 13 6.761 0.059 -0.061 87 HA PRO 14 HA PRO 14 10.830 5.656 1.892 88 1HB PRO 14 1HB PRO 14 12.953 5.606 0.172 89 2HB PRO 14 2HB PRO 14 13.070 5.125 1.853 90 1HG PRO 14 1HG PRO 14 13.012 3.422 -0.563 91 2HG PRO 14 2HG PRO 14 13.546 3.014 1.056 92 1HD PRO 14 1HD PRO 14 11.064 2.266 -0.173 93 2HD PRO 14 2HD PRO 14 11.549 1.957 1.483 94 H ALA 15 H ALA 15 9.162 4.274 -0.485 95 HA ALA 15 HA ALA 15 7.791 5.307 -1.942 96 1HB ALA 15 1HB ALA 15 9.422 7.823 -2.067 97 2HB ALA 15 2HB ALA 15 7.656 7.606 -2.114 98 3HB ALA 15 3HB ALA 15 8.528 7.476 -0.567 99 H LYS 16 H LYS 16 11.254 5.061 -2.058 100 HA LYS 16 HA LYS 16 11.281 5.322 -4.959 101 1HB LYS 16 1HB LYS 16 13.725 5.178 -4.710 102 2HB LYS 16 2HB LYS 16 13.036 6.480 -3.762 103 1HG LYS 16 1HG LYS 16 14.666 5.312 -2.378 104 2HG LYS 16 2HG LYS 16 13.069 4.991 -1.731 105 1HD LYS 16 1HD LYS 16 13.051 2.760 -2.489 106 2HD LYS 16 2HD LYS 16 14.196 3.075 -3.778 107 1HE LYS 16 1HE LYS 16 15.631 3.701 -1.429 108 2HE LYS 16 2HE LYS 16 14.705 2.279 -0.991 109 1HZ LYS 16 1HZ LYS 16 16.297 2.445 -3.451 110 2HZ LYS 16 2HZ LYS 16 16.874 1.835 -2.051 111 3HZ LYS 16 3HZ LYS 16 15.618 1.110 -2.801 112 H ASP 17 H ASP 17 10.087 3.072 -3.046 113 HA ASP 17 HA ASP 17 11.210 0.947 -4.682 114 1HB ASP 17 1HB ASP 17 11.376 1.225 -1.804 115 2HB ASP 17 2HB ASP 17 10.333 -0.137 -2.160 116 H ARG 18 H ARG 18 8.668 2.798 -4.436 117 HA ARG 18 HA ARG 18 6.613 1.018 -3.681 118 1HB ARG 18 1HB ARG 18 6.292 3.532 -5.380 119 2HB ARG 18 2HB ARG 18 5.103 2.811 -4.314 120 1HG ARG 18 1HG ARG 18 7.756 4.015 -3.388 121 2HG ARG 18 2HG ARG 18 6.213 4.844 -3.326 122 1HD ARG 18 1HD ARG 18 5.412 2.711 -1.968 123 2HD ARG 18 2HD ARG 18 7.125 2.435 -1.723 124 HE ARG 18 HE ARG 18 7.082 4.142 -0.143 125 1HH1 ARG 18 1HH1 ARG 18 4.535 4.751 -2.493 126 2HH1 ARG 18 2HH1 ARG 18 3.959 6.174 -1.690 127 1HH2 ARG 18 1HH2 ARG 18 6.323 6.019 0.917 128 2HH2 ARG 18 2HH2 ARG 18 4.983 6.900 0.262 129 H VAL 19 H VAL 19 6.108 -0.756 -4.937 130 HA VAL 19 HA VAL 19 6.745 -0.794 -7.719 131 HB VAL 19 HB VAL 19 5.009 -2.792 -6.304 132 1HG1 VAL 19 1HG1 VAL 19 7.102 -2.924 -8.493 133 2HG1 VAL 19 2HG1 VAL 19 6.406 -4.364 -7.712 134 3HG1 VAL 19 3HG1 VAL 19 5.357 -3.249 -8.621 135 1HG2 VAL 19 1HG2 VAL 19 7.783 -2.043 -5.607 136 2HG2 VAL 19 2HG2 VAL 19 6.551 -2.909 -4.658 137 3HG2 VAL 19 3HG2 VAL 19 7.515 -3.783 -5.873 138 H ASP 20 H ASP 20 4.266 0.640 -5.931 139 HA ASP 20 HA ASP 20 2.338 1.492 -6.435 140 1HB ASP 20 1HB ASP 20 3.270 2.574 -8.343 141 2HB ASP 20 2HB ASP 20 3.454 1.069 -9.222 142 H CYS 21 H CYS 21 0.478 0.319 -5.947 143 HA CYS 21 HA CYS 21 0.167 -2.305 -7.082 144 1HB CYS 21 1HB CYS 21 -0.492 -1.137 -4.654 145 2HB CYS 21 2HB CYS 21 -2.042 -1.303 -5.454 146 H GLY 22 H GLY 22 -0.865 1.002 -7.610 147 1HA GLY 22 1HA GLY 22 -2.219 0.355 -10.011 148 2HA GLY 22 2HA GLY 22 -2.134 1.920 -9.227 149 H TYR 23 H TYR 23 -3.843 2.656 -7.919 150 HA TYR 23 HA TYR 23 -6.257 1.036 -8.108 151 1HB TYR 23 1HB TYR 23 -4.710 1.973 -5.654 152 2HB TYR 23 2HB TYR 23 -6.460 1.983 -5.550 153 HD1 TYR 23 HD1 TYR 23 -3.500 -0.197 -6.058 154 HD2 TYR 23 HD2 TYR 23 -7.701 -0.045 -5.266 155 HE1 TYR 23 HE1 TYR 23 -3.486 -2.670 -5.469 156 HE2 TYR 23 HE2 TYR 23 -7.673 -2.518 -4.679 157 HH TYR 23 HH TYR 23 -5.349 -4.549 -5.550 158 HA PRO 24 HA PRO 24 -7.910 4.972 -8.843 159 1HB PRO 24 1HB PRO 24 -10.578 4.420 -8.637 160 2HB PRO 24 2HB PRO 24 -9.639 4.087 -10.078 161 1HG PRO 24 1HG PRO 24 -10.632 2.195 -8.035 162 2HG PRO 24 2HG PRO 24 -10.078 1.861 -9.664 163 1HD PRO 24 1HD PRO 24 -8.627 1.409 -7.231 164 2HD PRO 24 2HD PRO 24 -8.031 1.184 -8.863 165 H HIS 25 H HIS 25 -10.068 3.593 -6.412 166 HA HIS 25 HA HIS 25 -9.827 6.102 -4.984 167 1HB HIS 25 1HB HIS 25 -11.786 5.487 -3.838 168 2HB HIS 25 2HB HIS 25 -12.041 5.004 -5.503 169 HD1 HIS 25 HD1 HIS 25 -13.560 3.728 -3.039 170 HD2 HIS 25 HD2 HIS 25 -10.209 2.083 -4.953 171 HE1 HIS 25 HE1 HIS 25 -13.619 1.223 -2.557 172 HE2 HIS 25 HE2 HIS 25 -11.567 0.258 -3.804 173 H VAL 26 H VAL 26 -7.655 5.929 -4.198 174 HA VAL 26 HA VAL 26 -7.173 3.687 -2.386 175 HB VAL 26 HB VAL 26 -4.836 4.490 -2.459 176 1HG1 VAL 26 1HG1 VAL 26 -6.166 3.902 -5.124 177 2HG1 VAL 26 2HG1 VAL 26 -4.409 3.845 -4.841 178 3HG1 VAL 26 3HG1 VAL 26 -5.487 2.728 -3.970 179 1HG2 VAL 26 1HG2 VAL 26 -5.689 6.902 -3.108 180 2HG2 VAL 26 2HG2 VAL 26 -4.108 6.312 -3.673 181 3HG2 VAL 26 3HG2 VAL 26 -5.511 6.284 -4.768 182 H THR 27 H THR 27 -6.883 3.965 -0.178 183 HA THR 27 HA THR 27 -6.776 6.674 0.869 184 HB THR 27 HB THR 27 -8.859 6.594 1.971 185 HG1 THR 27 HG1 THR 27 -9.844 4.366 2.232 186 1HG2 THR 27 1HG2 THR 27 -9.284 4.763 -0.451 187 2HG2 THR 27 2HG2 THR 27 -10.585 5.560 0.466 188 3HG2 THR 27 3HG2 THR 27 -9.418 6.538 -0.456 189 HA PRO 28 HA PRO 28 -4.508 4.798 3.993 190 1HB PRO 28 1HB PRO 28 -5.182 6.147 6.272 191 2HB PRO 28 2HB PRO 28 -4.087 6.791 5.066 192 1HG PRO 28 1HG PRO 28 -6.899 7.532 5.602 193 2HG PRO 28 2HG PRO 28 -5.677 8.426 4.719 194 1HD PRO 28 1HD PRO 28 -7.847 6.921 3.599 195 2HD PRO 28 2HD PRO 28 -6.560 7.718 2.717 196 H LYS 29 H LYS 29 -6.722 3.263 3.281 197 HA LYS 29 HA LYS 29 -6.736 1.463 5.379 198 1HB LYS 29 1HB LYS 29 -8.122 3.475 6.342 199 2HB LYS 29 2HB LYS 29 -9.407 2.842 5.332 200 1HG LYS 29 1HG LYS 29 -7.861 0.962 7.140 201 2HG LYS 29 2HG LYS 29 -9.127 1.966 7.818 202 1HD LYS 29 1HD LYS 29 -10.819 0.972 6.436 203 2HD LYS 29 2HD LYS 29 -9.640 0.274 5.344 204 1HE LYS 29 1HE LYS 29 -9.552 -1.620 6.589 205 2HE LYS 29 2HE LYS 29 -9.070 -0.704 8.003 206 1HZ LYS 29 1HZ LYS 29 -11.868 -0.723 7.185 207 2HZ LYS 29 2HZ LYS 29 -11.261 -1.982 8.030 208 3HZ LYS 29 3HZ LYS 29 -11.235 -0.480 8.670 209 H GLU 30 H GLU 30 -8.872 2.937 2.846 210 HA GLU 30 HA GLU 30 -9.966 0.490 2.092 211 1HB GLU 30 1HB GLU 30 -11.053 2.623 1.568 212 2HB GLU 30 2HB GLU 30 -9.694 3.125 0.583 213 1HG GLU 30 1HG GLU 30 -11.362 0.636 -0.006 214 2HG GLU 30 2HG GLU 30 -11.691 2.204 -0.715 215 H CYS 31 H CYS 31 -7.203 2.445 0.812 216 HA CYS 31 HA CYS 31 -6.649 0.787 -1.349 217 1HB CYS 31 1HB CYS 31 -5.617 2.809 -1.537 218 2HB CYS 31 2HB CYS 31 -5.197 2.894 0.162 219 H ASN 32 H ASN 32 -5.824 0.690 2.131 220 HA ASN 32 HA ASN 32 -3.996 -1.477 1.710 221 1HB ASN 32 1HB ASN 32 -3.329 -0.033 3.491 222 2HB ASN 32 2HB ASN 32 -4.962 0.121 4.108 223 2HD2 ASN 32 2HD2 ASN 32 -2.194 -2.014 3.762 224 1HD2 ASN 32 1HD2 ASN 32 -2.549 -3.084 5.076 225 H ASN 33 H ASN 33 -7.349 -1.060 1.859 226 HA ASN 33 HA ASN 33 -7.811 -3.489 3.357 227 1HB ASN 33 1HB ASN 33 -9.268 -1.528 3.837 228 2HB ASN 33 2HB ASN 33 -9.732 -1.428 2.150 229 2HD2 ASN 33 2HD2 ASN 33 -11.663 -1.596 3.989 230 1HD2 ASN 33 1HD2 ASN 33 -12.451 -3.139 3.973 231 H ARG 34 H ARG 34 -8.178 -1.950 0.115 232 HA ARG 34 HA ARG 34 -9.660 -3.895 -1.098 233 1HB ARG 34 1HB ARG 34 -8.552 -1.519 -1.884 234 2HB ARG 34 2HB ARG 34 -7.470 -2.619 -2.713 235 1HG ARG 34 1HG ARG 34 -9.478 -1.934 -4.090 236 2HG ARG 34 2HG ARG 34 -9.303 -3.669 -3.911 237 1HD ARG 34 1HD ARG 34 -10.930 -2.366 -1.775 238 2HD ARG 34 2HD ARG 34 -11.628 -2.270 -3.380 239 HE ARG 34 HE ARG 34 -10.739 -4.944 -3.023 240 1HH1 ARG 34 1HH1 ARG 34 -13.133 -2.758 -1.653 241 2HH1 ARG 34 2HH1 ARG 34 -14.225 -4.028 -1.208 242 1HH2 ARG 34 1HH2 ARG 34 -12.179 -6.619 -2.436 243 2HH2 ARG 34 2HH2 ARG 34 -13.679 -6.238 -1.657 244 H GLY 35 H GLY 35 -6.302 -3.891 -0.060 245 1HA GLY 35 1HA GLY 35 -5.849 -6.433 -1.508 246 2HA GLY 35 2HA GLY 35 -5.392 -6.171 0.163 247 H CYS 36 H CYS 36 -3.903 -4.182 0.572 248 HA CYS 36 HA CYS 36 -1.540 -4.540 -0.698 249 1HB CYS 36 1HB CYS 36 -3.238 -3.235 -2.493 250 2HB CYS 36 2HB CYS 36 -2.223 -1.960 -1.847 251 H CYS 37 H CYS 37 -0.716 -1.665 -0.751 252 HA CYS 37 HA CYS 37 -1.281 -0.980 2.040 253 1HB CYS 37 1HB CYS 37 1.330 -1.281 0.637 254 2HB CYS 37 2HB CYS 37 1.174 0.040 1.778 255 H PHE 38 H PHE 38 -1.211 1.374 2.466 256 HA PHE 38 HA PHE 38 -1.545 2.925 -0.006 257 1HB PHE 38 1HB PHE 38 -3.659 2.620 1.262 258 2HB PHE 38 2HB PHE 38 -2.861 3.019 2.770 259 HD1 PHE 38 HD1 PHE 38 -4.184 4.386 -0.371 260 HD2 PHE 38 HD2 PHE 38 -2.468 5.308 3.399 261 HE1 PHE 38 HE1 PHE 38 -4.842 6.791 -0.659 262 HE2 PHE 38 HE2 PHE 38 -3.126 7.714 3.110 263 HZ PHE 38 HZ PHE 38 -4.305 8.426 1.084 264 H ASP 39 H ASP 39 -1.360 5.439 0.609 265 HA ASP 39 HA ASP 39 0.268 6.155 2.717 266 1HB ASP 39 1HB ASP 39 2.092 4.966 1.663 267 2HB ASP 39 2HB ASP 39 1.683 5.597 0.080 268 H SER 40 H SER 40 0.453 8.494 2.737 269 HA SER 40 HA SER 40 -0.438 9.806 0.300 270 1HB SER 40 1HB SER 40 -1.914 11.288 1.582 271 2HB SER 40 2HB SER 40 -2.380 9.618 1.839 272 HG SER 40 HG SER 40 -2.243 11.012 3.808 273 H ARG 41 H ARG 41 2.145 9.309 2.040 274 HA ARG 41 HA ARG 41 2.861 11.684 3.208 275 1HB ARG 41 1HB ARG 41 4.024 9.226 2.952 276 2HB ARG 41 2HB ARG 41 4.993 10.107 1.787 277 1HG ARG 41 1HG ARG 41 4.586 11.566 4.344 278 2HG ARG 41 2HG ARG 41 5.445 10.050 4.530 279 1HD ARG 41 1HD ARG 41 7.184 10.720 2.998 280 2HD ARG 41 2HD ARG 41 6.237 12.059 2.381 281 HE ARG 41 HE ARG 41 7.922 12.112 4.712 282 1HH1 ARG 41 1HH1 ARG 41 4.836 13.330 3.541 283 2HH1 ARG 41 2HH1 ARG 41 4.851 14.725 4.568 284 1HH2 ARG 41 1HH2 ARG 41 7.943 13.952 6.068 285 2HH2 ARG 41 2HH2 ARG 41 6.630 15.081 6.015 286 H ILE 42 H ILE 42 3.470 10.432 -0.149 287 HA ILE 42 HA ILE 42 3.634 13.189 -1.057 288 HB ILE 42 HB ILE 42 5.655 12.043 -2.498 289 1HG1 ILE 42 1HG1 ILE 42 7.213 11.063 -0.838 290 2HG1 ILE 42 2HG1 ILE 42 5.938 11.079 0.364 291 1HG2 ILE 42 1HG2 ILE 42 5.313 14.305 -1.157 292 2HG2 ILE 42 2HG2 ILE 42 6.367 13.482 0.019 293 3HG2 ILE 42 3HG2 ILE 42 6.927 13.738 -1.651 294 1HD1 ILE 42 1HD1 ILE 42 5.105 9.819 -2.182 295 2HD1 ILE 42 2HD1 ILE 42 6.461 8.987 -1.383 296 3HD1 ILE 42 3HD1 ILE 42 4.928 9.230 -0.511 297 HA PRO 43 HA PRO 43 1.221 11.333 -4.139 298 1HB PRO 43 1HB PRO 43 0.934 13.484 -5.800 299 2HB PRO 43 2HB PRO 43 -0.055 13.235 -4.375 300 1HG PRO 43 1HG PRO 43 2.174 15.136 -4.776 301 2HG PRO 43 2HG PRO 43 0.920 15.156 -3.552 302 1HD PRO 43 1HD PRO 43 3.648 14.340 -3.202 303 2HD PRO 43 2HD PRO 43 2.366 14.252 -2.010 304 H GLY 44 H GLY 44 4.129 13.060 -4.993 305 1HA GLY 44 1HA GLY 44 5.800 12.379 -6.368 306 2HA GLY 44 2HA GLY 44 4.531 12.461 -7.574 307 H VAL 45 H VAL 45 4.841 10.152 -4.805 308 HA VAL 45 HA VAL 45 5.475 8.028 -6.692 309 HB VAL 45 HB VAL 45 6.344 6.886 -4.928 310 1HG1 VAL 45 1HG1 VAL 45 7.128 9.459 -5.096 311 2HG1 VAL 45 2HG1 VAL 45 6.586 9.428 -3.400 312 3HG1 VAL 45 3HG1 VAL 45 7.842 8.294 -3.954 313 1HG2 VAL 45 1HG2 VAL 45 4.334 8.298 -3.151 314 2HG2 VAL 45 2HG2 VAL 45 4.378 6.578 -3.606 315 3HG2 VAL 45 3HG2 VAL 45 5.629 7.246 -2.531 316 HA PRO 46 HA PRO 46 1.545 6.232 -6.495 317 1HB PRO 46 1HB PRO 46 1.979 3.549 -6.216 318 2HB PRO 46 2HB PRO 46 2.163 4.395 -7.739 319 1HG PRO 46 1HG PRO 46 4.259 3.391 -5.911 320 2HG PRO 46 2HG PRO 46 4.399 3.845 -7.598 321 1HD PRO 46 1HD PRO 46 5.251 5.381 -5.330 322 2HD PRO 46 2HD PRO 46 5.285 5.883 -7.009 323 H TRP 47 H TRP 47 0.632 7.280 -4.721 324 HA TRP 47 HA TRP 47 0.981 6.899 -2.152 325 1HB TRP 47 1HB TRP 47 -1.494 7.229 -3.772 326 2HB TRP 47 2HB TRP 47 -1.688 6.833 -2.075 327 HD1 TRP 47 HD1 TRP 47 1.244 9.107 -3.074 328 HE1 TRP 47 HE1 TRP 47 0.901 11.568 -2.185 329 HE3 TRP 47 HE3 TRP 47 -3.542 8.431 -1.494 330 HZ2 TRP 47 HZ2 TRP 47 -1.284 12.925 -0.949 331 HZ3 TRP 47 HZ3 TRP 47 -4.708 10.375 -0.457 332 HH2 TRP 47 HH2 TRP 47 -3.656 12.563 -0.175 333 H CYS 48 H CYS 48 -1.088 4.675 -4.162 334 HA CYS 48 HA CYS 48 -0.992 2.736 -2.020 335 1HB CYS 48 1HB CYS 48 -3.050 3.362 -3.463 336 2HB CYS 48 2HB CYS 48 -2.327 2.336 -4.686 337 H PHE 49 H PHE 49 0.703 1.304 -1.941 338 HA PHE 49 HA PHE 49 1.732 0.311 -4.485 339 1HB PHE 49 1HB PHE 49 4.055 0.534 -3.321 340 2HB PHE 49 2HB PHE 49 3.324 2.037 -3.848 341 HD1 PHE 49 HD1 PHE 49 3.581 -0.156 -0.846 342 HD2 PHE 49 HD2 PHE 49 3.101 3.786 -2.340 343 HE1 PHE 49 HE1 PHE 49 3.761 0.750 1.488 344 HE2 PHE 49 HE2 PHE 49 3.281 4.693 -0.006 345 HZ PHE 49 HZ PHE 49 3.609 3.164 1.880 346 H LYS 50 H LYS 50 3.208 -1.662 -4.098 347 HA LYS 50 HA LYS 50 1.781 -3.481 -2.474 348 1HB LYS 50 1HB LYS 50 4.409 -3.745 -3.964 349 2HB LYS 50 2HB LYS 50 3.558 -5.074 -3.203 350 1HG LYS 50 1HG LYS 50 1.504 -4.042 -4.664 351 2HG LYS 50 2HG LYS 50 2.841 -3.518 -5.670 352 1HD LYS 50 1HD LYS 50 3.462 -6.201 -5.006 353 2HD LYS 50 2HD LYS 50 1.737 -6.213 -5.312 354 1HE LYS 50 1HE LYS 50 2.837 -4.584 -7.366 355 2HE LYS 50 2HE LYS 50 3.943 -5.935 -7.216 356 1HZ LYS 50 1HZ LYS 50 1.220 -6.735 -7.121 357 2HZ LYS 50 2HZ LYS 50 1.594 -5.978 -8.519 358 3HZ LYS 50 3HZ LYS 50 2.435 -7.298 -8.054 359 HA PRO 51 HA PRO 51 4.007 -3.288 1.218 360 1HB PRO 51 1HB PRO 51 4.086 -5.881 2.080 361 2HB PRO 51 2HB PRO 51 2.669 -4.861 2.238 362 1HG PRO 51 1HG PRO 51 3.162 -7.067 0.332 363 2HG PRO 51 2HG PRO 51 1.638 -6.332 0.791 364 1HD PRO 51 1HD PRO 51 3.091 -5.893 -1.643 365 2HD PRO 51 2HD PRO 51 1.629 -5.073 -1.133 366 H LEU 52 H LEU 52 6.036 -2.719 1.650 367 HA LEU 52 HA LEU 52 8.131 -3.197 0.127 368 1HB LEU 52 1HB LEU 52 8.255 -1.763 2.021 369 2HB LEU 52 2HB LEU 52 8.019 -3.094 3.137 370 HG LEU 52 HG LEU 52 10.448 -2.757 1.357 371 1HD1 LEU 52 1HD1 LEU 52 9.818 -1.191 3.523 372 2HD1 LEU 52 2HD1 LEU 52 10.813 -2.474 4.254 373 3HD1 LEU 52 3HD1 LEU 52 11.459 -1.505 2.908 374 1HD2 LEU 52 1HD2 LEU 52 9.488 -4.930 3.068 375 2HD2 LEU 52 2HD2 LEU 52 10.737 -4.926 1.801 376 3HD2 LEU 52 3HD2 LEU 52 11.144 -4.403 3.453 377 H GLN 53 H GLN 53 9.500 -4.823 -0.495 378 HA GLN 53 HA GLN 53 8.661 -7.443 0.041 379 1HB GLN 53 1HB GLN 53 10.728 -6.095 -1.606 380 2HB GLN 53 2HB GLN 53 11.186 -7.700 -1.071 381 1HG GLN 53 1HG GLN 53 9.925 -8.526 -2.768 382 2HG GLN 53 2HG GLN 53 8.509 -8.021 -1.867 383 2HE2 GLN 53 2HE2 GLN 53 8.471 -5.371 -1.970 384 1HE2 GLN 53 1HE2 GLN 53 8.354 -4.767 -3.589 385 H GLU 54 H GLU 54 8.781 -7.146 2.504 386 HA GLU 54 HA GLU 54 10.952 -6.724 3.960 387 1HB GLU 54 1HB GLU 54 9.879 -7.866 5.709 388 2HB GLU 54 2HB GLU 54 8.546 -7.490 4.635 389 1HG GLU 54 1HG GLU 54 10.043 -10.150 4.767 390 2HG GLU 54 2HG GLU 54 8.430 -9.849 5.382 391 H ALA 55 H ALA 55 13.005 -7.526 4.087 392 HA ALA 55 HA ALA 55 13.496 -10.323 3.870 393 1HB ALA 55 1HB ALA 55 14.332 -10.504 1.762 394 2HB ALA 55 2HB ALA 55 13.309 -9.084 1.437 395 3HB ALA 55 3HB ALA 55 15.040 -8.871 1.794 396 H GLU 56 H GLU 56 15.265 -7.220 3.168 397 HA GLU 56 HA GLU 56 17.574 -7.878 4.385 398 1HB GLU 56 1HB GLU 56 16.144 -5.299 3.846 399 2HB GLU 56 2HB GLU 56 17.510 -5.221 4.940 400 1HG GLU 56 1HG GLU 56 19.010 -5.505 3.250 401 2HG GLU 56 2HG GLU 56 18.137 -6.878 2.600 402 H CYS 57 H CYS 57 14.861 -6.008 5.940 403 HA CYS 57 HA CYS 57 16.037 -6.161 8.491 404 1HB CYS 57 1HB CYS 57 13.542 -5.138 7.312 405 2HB CYS 57 2HB CYS 57 13.380 -5.691 8.967 406 H THR 58 H THR 58 15.848 -7.758 10.068 407 HA THR 58 HA THR 58 15.011 -10.315 9.354 408 HB THR 58 HB THR 58 15.529 -8.926 12.030 409 HG1 THR 58 HG1 THR 58 17.588 -9.606 11.479 410 1HG2 THR 58 1HG2 THR 58 14.122 -11.144 12.133 411 2HG2 THR 58 2HG2 THR 58 15.598 -11.929 11.521 412 3HG2 THR 58 3HG2 THR 58 15.626 -11.073 13.081 413 H PHE 59 H PHE 59 13.252 -11.640 10.091 414 HA PHE 59 HA PHE 59 10.810 -10.790 9.529 415 1HB PHE 59 1HB PHE 59 12.072 -12.971 10.867 416 2HB PHE 59 2HB PHE 59 10.837 -12.447 11.995 417 HD1 PHE 59 HD1 PHE 59 8.466 -11.983 10.794 418 HD2 PHE 59 HD2 PHE 59 11.479 -14.607 9.364 419 HE1 PHE 59 HE1 PHE 59 6.738 -13.258 9.494 420 HE2 PHE 59 HE2 PHE 59 9.751 -15.882 8.065 421 HZ PHE 59 HZ PHE 59 7.401 -15.193 8.145 No H/Q in entry = 421 Start of MODEL 65 1 H GLU 1 H GLU 1 4.387 -9.776 19.752 2 HA GLU 1 HA GLU 1 6.452 -11.128 20.361 3 1HB GLU 1 1HB GLU 1 3.695 -11.630 20.580 4 2HB GLU 1 2HB GLU 1 4.339 -13.127 19.936 5 1HG GLU 1 1HG GLU 1 5.465 -11.691 22.386 6 2HG GLU 1 2HG GLU 1 4.328 -13.023 22.464 7 H GLU 2 H GLU 2 4.346 -12.522 17.732 8 HA GLU 2 HA GLU 2 6.814 -13.461 16.504 9 1HB GLU 2 1HB GLU 2 4.347 -15.024 17.235 10 2HB GLU 2 2HB GLU 2 5.179 -15.457 15.755 11 1HG GLU 2 1HG GLU 2 7.095 -16.184 16.867 12 2HG GLU 2 2HG GLU 2 6.890 -15.057 18.194 13 H TYR 3 H TYR 3 7.011 -12.804 14.401 14 HA TYR 3 HA TYR 3 6.506 -11.827 12.472 15 1HB TYR 3 1HB TYR 3 5.471 -13.979 11.965 16 2HB TYR 3 2HB TYR 3 4.150 -13.688 13.078 17 HD1 TYR 3 HD1 TYR 3 5.604 -12.047 10.021 18 HD2 TYR 3 HD2 TYR 3 2.085 -13.283 12.118 19 HE1 TYR 3 HE1 TYR 3 4.159 -11.218 8.100 20 HE2 TYR 3 HE2 TYR 3 0.652 -12.449 10.190 21 HH TYR 3 HH TYR 3 0.711 -11.845 8.037 22 H VAL 4 H VAL 4 6.375 -9.652 13.272 23 HA VAL 4 HA VAL 4 3.644 -8.631 13.162 24 HB VAL 4 HB VAL 4 5.597 -8.353 15.421 25 1HG1 VAL 4 1HG1 VAL 4 5.150 -6.055 14.695 26 2HG1 VAL 4 2HG1 VAL 4 3.398 -6.366 14.751 27 3HG1 VAL 4 3HG1 VAL 4 4.356 -6.396 16.252 28 1HG2 VAL 4 1HG2 VAL 4 3.780 -10.020 15.565 29 2HG2 VAL 4 2HG2 VAL 4 3.616 -8.741 16.793 30 3HG2 VAL 4 3HG2 VAL 4 2.583 -8.721 15.343 31 H GLY 5 H GLY 5 3.778 -7.480 11.286 32 1HA GLY 5 1HA GLY 5 5.678 -6.523 9.818 33 2HA GLY 5 2HA GLY 5 5.872 -5.417 11.163 34 H LEU 6 H LEU 6 2.753 -5.823 11.605 35 HA LEU 6 HA LEU 6 1.776 -4.334 9.312 36 1HB LEU 6 1HB LEU 6 -0.418 -4.610 10.600 37 2HB LEU 6 2HB LEU 6 0.306 -6.014 9.840 38 HG LEU 6 HG LEU 6 1.046 -5.557 12.679 39 1HD1 LEU 6 1HD1 LEU 6 -1.765 -6.312 11.849 40 2HD1 LEU 6 2HD1 LEU 6 -1.084 -6.614 13.465 41 3HD1 LEU 6 3HD1 LEU 6 -1.256 -4.946 12.870 42 1HD2 LEU 6 1HD2 LEU 6 0.950 -7.721 10.756 43 2HD2 LEU 6 2HD2 LEU 6 1.816 -7.606 12.307 44 3HD2 LEU 6 3HD2 LEU 6 0.127 -8.166 12.271 45 H SER 7 H SER 7 2.271 -2.196 9.329 46 HA SER 7 HA SER 7 1.091 -0.392 10.808 47 1HB SER 7 1HB SER 7 3.103 0.213 12.479 48 2HB SER 7 2HB SER 7 1.794 -0.851 12.954 49 HG SER 7 HG SER 7 4.503 -1.458 12.364 50 H ALA 8 H ALA 8 4.045 -1.549 9.286 51 HA ALA 8 HA ALA 8 4.258 0.599 7.568 52 1HB ALA 8 1HB ALA 8 5.119 1.347 10.122 53 2HB ALA 8 2HB ALA 8 5.500 2.176 8.594 54 3HB ALA 8 3HB ALA 8 6.625 0.964 9.252 55 H ASN 9 H ASN 9 5.965 -1.891 9.524 56 HA ASN 9 HA ASN 9 8.141 -2.383 8.129 57 1HB ASN 9 1HB ASN 9 6.445 -3.876 9.869 58 2HB ASN 9 2HB ASN 9 6.721 -4.928 8.495 59 2HD2 ASN 9 2HD2 ASN 9 7.742 -6.046 10.449 60 1HD2 ASN 9 1HD2 ASN 9 9.441 -5.808 10.686 61 H GLN 10 H GLN 10 4.780 -2.852 7.079 62 HA GLN 10 HA GLN 10 5.647 -4.323 4.747 63 1HB GLN 10 1HB GLN 10 3.050 -4.271 4.330 64 2HB GLN 10 2HB GLN 10 3.702 -5.317 5.575 65 1HG GLN 10 1HG GLN 10 3.017 -3.873 7.336 66 2HG GLN 10 2HG GLN 10 2.882 -2.483 6.277 67 2HE2 GLN 10 2HE2 GLN 10 1.600 -5.790 6.615 68 1HE2 GLN 10 1HE2 GLN 10 -0.051 -5.426 6.237 69 H CYS 11 H CYS 11 4.209 -1.187 5.750 70 HA CYS 11 HA CYS 11 4.530 -0.294 2.978 71 1HB CYS 11 1HB CYS 11 2.882 1.379 4.738 72 2HB CYS 11 2HB CYS 11 2.624 0.880 3.078 73 H ALA 12 H ALA 12 6.821 -0.469 4.540 74 HA ALA 12 HA ALA 12 7.203 2.270 5.531 75 1HB ALA 12 1HB ALA 12 9.295 1.036 6.576 76 2HB ALA 12 2HB ALA 12 7.692 0.886 7.336 77 3HB ALA 12 3HB ALA 12 8.312 -0.423 6.301 78 H VAL 13 H VAL 13 7.129 1.836 2.739 79 HA VAL 13 HA VAL 13 9.856 1.473 1.866 80 HB VAL 13 HB VAL 13 7.807 2.498 0.006 81 1HG1 VAL 13 1HG1 VAL 13 10.106 0.646 0.035 82 2HG1 VAL 13 2HG1 VAL 13 8.746 0.128 -0.990 83 3HG1 VAL 13 3HG1 VAL 13 9.506 1.716 -1.254 84 1HG2 VAL 13 1HG2 VAL 13 7.371 0.030 1.657 85 2HG2 VAL 13 2HG2 VAL 13 6.197 1.228 1.061 86 3HG2 VAL 13 3HG2 VAL 13 6.886 0.025 -0.056 87 HA PRO 14 HA PRO 14 10.845 5.681 1.961 88 1HB PRO 14 1HB PRO 14 12.940 5.753 0.208 89 2HB PRO 14 2HB PRO 14 13.100 5.223 1.871 90 1HG PRO 14 1HG PRO 14 13.055 3.595 -0.597 91 2HG PRO 14 2HG PRO 14 13.628 3.154 0.999 92 1HD PRO 14 1HD PRO 14 11.151 2.366 -0.213 93 2HD PRO 14 2HD PRO 14 11.673 2.021 1.424 94 H ALA 15 H ALA 15 9.159 4.333 -0.411 95 HA ALA 15 HA ALA 15 7.745 5.355 -1.827 96 1HB ALA 15 1HB ALA 15 8.676 7.549 -0.408 97 2HB ALA 15 2HB ALA 15 7.415 7.586 -1.664 98 3HB ALA 15 3HB ALA 15 9.105 7.953 -2.088 99 H LYS 16 H LYS 16 11.199 5.199 -1.993 100 HA LYS 16 HA LYS 16 11.184 5.592 -4.882 101 1HB LYS 16 1HB LYS 16 13.633 5.534 -4.669 102 2HB LYS 16 2HB LYS 16 12.910 6.769 -3.658 103 1HG LYS 16 1HG LYS 16 14.603 5.607 -2.345 104 2HG LYS 16 2HG LYS 16 13.030 5.196 -1.693 105 1HD LYS 16 1HD LYS 16 13.094 2.999 -2.524 106 2HD LYS 16 2HD LYS 16 14.176 3.411 -3.839 107 1HE LYS 16 1HE LYS 16 15.657 4.006 -1.500 108 2HE LYS 16 2HE LYS 16 14.823 2.513 -1.119 109 1HZ LYS 16 1HZ LYS 16 16.422 2.956 -3.545 110 2HZ LYS 16 2HZ LYS 16 16.929 2.142 -2.223 111 3HZ LYS 16 3HZ LYS 16 15.697 1.555 -3.120 112 H ASP 17 H ASP 17 10.140 3.220 -2.996 113 HA ASP 17 HA ASP 17 11.299 1.205 -4.744 114 1HB ASP 17 1HB ASP 17 11.548 1.391 -1.876 115 2HB ASP 17 2HB ASP 17 10.506 0.025 -2.224 116 H ARG 18 H ARG 18 8.698 2.935 -4.429 117 HA ARG 18 HA ARG 18 6.719 1.078 -3.663 118 1HB ARG 18 1HB ARG 18 6.304 3.594 -5.342 119 2HB ARG 18 2HB ARG 18 5.136 2.817 -4.292 120 1HG ARG 18 1HG ARG 18 7.744 4.081 -3.325 121 2HG ARG 18 2HG ARG 18 6.185 4.882 -3.284 122 1HD ARG 18 1HD ARG 18 5.393 2.738 -1.948 123 2HD ARG 18 2HD ARG 18 7.105 2.468 -1.688 124 HE ARG 18 HE ARG 18 7.030 4.151 -0.085 125 1HH1 ARG 18 1HH1 ARG 18 4.535 4.799 -2.480 126 2HH1 ARG 18 2HH1 ARG 18 3.951 6.217 -1.675 127 1HH2 ARG 18 1HH2 ARG 18 6.260 6.022 0.977 128 2HH2 ARG 18 2HH2 ARG 18 4.939 6.918 0.304 129 H VAL 19 H VAL 19 6.084 -0.650 -4.914 130 HA VAL 19 HA VAL 19 6.745 -0.682 -7.710 131 HB VAL 19 HB VAL 19 5.093 -2.737 -6.278 132 1HG1 VAL 19 1HG1 VAL 19 6.166 -2.569 -8.831 133 2HG1 VAL 19 2HG1 VAL 19 7.324 -3.605 -7.963 134 3HG1 VAL 19 3HG1 VAL 19 5.602 -4.051 -8.022 135 1HG2 VAL 19 1HG2 VAL 19 7.968 -2.042 -5.772 136 2HG2 VAL 19 2HG2 VAL 19 6.709 -2.589 -4.639 137 3HG2 VAL 19 3HG2 VAL 19 7.471 -3.751 -5.751 138 H ASP 20 H ASP 20 4.257 0.665 -5.865 139 HA ASP 20 HA ASP 20 2.299 1.469 -6.330 140 1HB ASP 20 1HB ASP 20 3.161 2.580 -8.254 141 2HB ASP 20 2HB ASP 20 3.370 1.083 -9.140 142 H CYS 21 H CYS 21 0.452 0.276 -5.844 143 HA CYS 21 HA CYS 21 0.205 -2.373 -6.937 144 1HB CYS 21 1HB CYS 21 -0.458 -1.218 -4.523 145 2HB CYS 21 2HB CYS 21 -2.016 -1.355 -5.314 146 H GLY 22 H GLY 22 -0.836 0.888 -7.591 147 1HA GLY 22 1HA GLY 22 -2.211 0.149 -9.949 148 2HA GLY 22 2HA GLY 22 -2.123 1.743 -9.227 149 H TYR 23 H TYR 23 -3.742 2.445 -7.710 150 HA TYR 23 HA TYR 23 -6.185 0.840 -7.890 151 1HB TYR 23 1HB TYR 23 -4.606 1.902 -5.508 152 2HB TYR 23 2HB TYR 23 -6.354 1.897 -5.375 153 HD1 TYR 23 HD1 TYR 23 -7.541 -0.395 -5.910 154 HD2 TYR 23 HD2 TYR 23 -3.401 -0.004 -4.903 155 HE1 TYR 23 HE1 TYR 23 -7.473 -2.839 -5.210 156 HE2 TYR 23 HE2 TYR 23 -3.347 -2.449 -4.207 157 HH TYR 23 HH TYR 23 -4.896 -4.134 -3.438 158 HA PRO 24 HA PRO 24 -7.891 4.724 -8.765 159 1HB PRO 24 1HB PRO 24 -10.549 4.170 -8.452 160 2HB PRO 24 2HB PRO 24 -9.650 3.768 -9.902 161 1HG PRO 24 1HG PRO 24 -10.571 1.979 -7.736 162 2HG PRO 24 2HG PRO 24 -10.063 1.564 -9.361 163 1HD PRO 24 1HD PRO 24 -8.539 1.245 -6.952 164 2HD PRO 24 2HD PRO 24 -7.990 0.939 -8.588 165 H HIS 25 H HIS 25 -10.182 3.622 -6.344 166 HA HIS 25 HA HIS 25 -9.815 6.143 -5.007 167 1HB HIS 25 1HB HIS 25 -11.746 5.542 -3.729 168 2HB HIS 25 2HB HIS 25 -12.058 5.174 -5.414 169 HD1 HIS 25 HD1 HIS 25 -13.819 3.748 -3.462 170 HD2 HIS 25 HD2 HIS 25 -10.091 2.214 -4.624 171 HE1 HIS 25 HE1 HIS 25 -13.905 1.238 -3.006 172 HE2 HIS 25 HE2 HIS 25 -11.607 0.343 -3.791 173 H VAL 26 H VAL 26 -7.585 5.882 -4.314 174 HA VAL 26 HA VAL 26 -7.111 3.746 -2.401 175 HB VAL 26 HB VAL 26 -4.789 4.634 -2.466 176 1HG1 VAL 26 1HG1 VAL 26 -6.098 3.859 -5.091 177 2HG1 VAL 26 2HG1 VAL 26 -4.338 3.913 -4.833 178 3HG1 VAL 26 3HG1 VAL 26 -5.341 2.783 -3.892 179 1HG2 VAL 26 1HG2 VAL 26 -5.667 6.985 -3.190 180 2HG2 VAL 26 2HG2 VAL 26 -4.111 6.396 -3.822 181 3HG2 VAL 26 3HG2 VAL 26 -5.571 6.316 -4.837 182 H THR 27 H THR 27 -6.819 4.059 -0.195 183 HA THR 27 HA THR 27 -6.689 6.749 0.847 184 HB THR 27 HB THR 27 -8.820 6.779 1.880 185 HG1 THR 27 HG1 THR 27 -8.436 3.925 1.487 186 1HG2 THR 27 1HG2 THR 27 -9.257 5.060 -0.620 187 2HG2 THR 27 2HG2 THR 27 -10.531 5.947 0.252 188 3HG2 THR 27 3HG2 THR 27 -9.236 6.839 -0.583 189 HA PRO 28 HA PRO 28 -4.741 4.763 4.120 190 1HB PRO 28 1HB PRO 28 -5.564 6.060 6.381 191 2HB PRO 28 2HB PRO 28 -4.369 6.717 5.280 192 1HG PRO 28 1HG PRO 28 -7.200 7.496 5.623 193 2HG PRO 28 2HG PRO 28 -5.899 8.391 4.862 194 1HD PRO 28 1HD PRO 28 -8.003 6.961 3.536 195 2HD PRO 28 2HD PRO 28 -6.638 7.758 2.779 196 H LYS 29 H LYS 29 -7.032 3.374 3.199 197 HA LYS 29 HA LYS 29 -7.200 1.472 5.216 198 1HB LYS 29 1HB LYS 29 -8.576 3.492 6.177 199 2HB LYS 29 2HB LYS 29 -9.817 2.944 5.069 200 1HG LYS 29 1HG LYS 29 -8.465 0.883 6.812 201 2HG LYS 29 2HG LYS 29 -9.626 1.960 7.562 202 1HD LYS 29 1HD LYS 29 -10.731 1.010 5.054 203 2HD LYS 29 2HD LYS 29 -10.152 -0.369 5.967 204 1HE LYS 29 1HE LYS 29 -11.758 1.735 7.425 205 2HE LYS 29 2HE LYS 29 -12.610 0.628 6.365 206 1HZ LYS 29 1HZ LYS 29 -11.570 -1.195 7.577 207 2HZ LYS 29 2HZ LYS 29 -10.855 -0.137 8.595 208 3HZ LYS 29 3HZ LYS 29 -12.483 -0.261 8.558 209 H GLU 30 H GLU 30 -9.206 3.104 2.667 210 HA GLU 30 HA GLU 30 -10.298 0.728 1.739 211 1HB GLU 30 1HB GLU 30 -11.240 2.980 1.279 212 2HB GLU 30 2HB GLU 30 -9.855 3.371 0.279 213 1HG GLU 30 1HG GLU 30 -10.704 2.247 -1.510 214 2HG GLU 30 2HG GLU 30 -11.050 0.823 -0.549 215 H CYS 31 H CYS 31 -7.262 2.464 1.004 216 HA CYS 31 HA CYS 31 -6.687 0.885 -1.289 217 1HB CYS 31 1HB CYS 31 -5.675 2.940 -1.402 218 2HB CYS 31 2HB CYS 31 -5.267 2.970 0.303 219 H ASN 32 H ASN 32 -6.165 0.752 2.228 220 HA ASN 32 HA ASN 32 -4.291 -1.412 1.922 221 1HB ASN 32 1HB ASN 32 -5.454 -0.430 4.560 222 2HB ASN 32 2HB ASN 32 -3.892 -1.175 4.281 223 2HD2 ASN 32 2HD2 ASN 32 -5.845 1.704 3.817 224 1HD2 ASN 32 1HD2 ASN 32 -4.556 2.840 3.603 225 H ASN 33 H ASN 33 -7.561 -1.093 1.643 226 HA ASN 33 HA ASN 33 -8.178 -3.421 3.265 227 1HB ASN 33 1HB ASN 33 -9.667 -1.454 3.564 228 2HB ASN 33 2HB ASN 33 -9.982 -1.395 1.841 229 2HD2 ASN 33 2HD2 ASN 33 -11.140 -2.383 4.747 230 1HD2 ASN 33 1HD2 ASN 33 -12.254 -3.620 4.268 231 H ARG 34 H ARG 34 -8.243 -2.001 -0.047 232 HA ARG 34 HA ARG 34 -9.631 -3.998 -1.306 233 1HB ARG 34 1HB ARG 34 -8.541 -1.636 -2.094 234 2HB ARG 34 2HB ARG 34 -7.325 -2.709 -2.757 235 1HG ARG 34 1HG ARG 34 -10.325 -2.909 -3.303 236 2HG ARG 34 2HG ARG 34 -9.147 -2.216 -4.400 237 1HD ARG 34 1HD ARG 34 -7.919 -4.525 -4.232 238 2HD ARG 34 2HD ARG 34 -9.410 -5.121 -3.532 239 HE ARG 34 HE ARG 34 -9.991 -3.669 -5.953 240 1HH1 ARG 34 1HH1 ARG 34 -8.640 -6.719 -4.832 241 2HH1 ARG 34 2HH1 ARG 34 -9.062 -7.582 -6.274 242 1HH2 ARG 34 1HH2 ARG 34 -10.548 -4.807 -7.855 243 2HH2 ARG 34 2HH2 ARG 34 -10.155 -6.487 -8.004 244 H GLY 35 H GLY 35 -6.274 -3.822 -0.168 245 1HA GLY 35 1HA GLY 35 -5.725 -6.446 -1.421 246 2HA GLY 35 2HA GLY 35 -5.361 -6.098 0.257 247 H CYS 36 H CYS 36 -3.901 -4.116 0.674 248 HA CYS 36 HA CYS 36 -1.485 -4.468 -0.488 249 1HB CYS 36 1HB CYS 36 -3.147 -3.171 -2.358 250 2HB CYS 36 2HB CYS 36 -2.078 -1.932 -1.732 251 H CYS 37 H CYS 37 -0.602 -1.655 -0.541 252 HA CYS 37 HA CYS 37 -1.304 -0.901 2.203 253 1HB CYS 37 1HB CYS 37 1.340 -1.177 0.869 254 2HB CYS 37 2HB CYS 37 1.135 0.183 1.955 255 H PHE 38 H PHE 38 -1.192 1.488 2.596 256 HA PHE 38 HA PHE 38 -1.593 2.974 0.095 257 1HB PHE 38 1HB PHE 38 -3.680 2.680 1.411 258 2HB PHE 38 2HB PHE 38 -2.858 3.129 2.892 259 HD1 PHE 38 HD1 PHE 38 -4.145 4.420 -0.314 260 HD2 PHE 38 HD2 PHE 38 -2.585 5.414 3.505 261 HE1 PHE 38 HE1 PHE 38 -4.832 6.809 -0.656 262 HE2 PHE 38 HE2 PHE 38 -3.272 7.804 3.163 263 HZ PHE 38 HZ PHE 38 -4.387 8.473 1.087 264 H ASP 39 H ASP 39 -1.401 5.498 0.623 265 HA ASP 39 HA ASP 39 0.213 6.316 2.688 266 1HB ASP 39 1HB ASP 39 2.028 5.026 1.705 267 2HB ASP 39 2HB ASP 39 1.680 5.644 0.103 268 H SER 40 H SER 40 0.453 8.655 2.561 269 HA SER 40 HA SER 40 -0.311 9.845 0.031 270 1HB SER 40 1HB SER 40 -1.905 11.369 1.141 271 2HB SER 40 2HB SER 40 -2.393 9.699 1.350 272 HG SER 40 HG SER 40 -1.319 11.529 3.270 273 H ARG 41 H ARG 41 2.139 9.465 1.930 274 HA ARG 41 HA ARG 41 2.688 11.920 3.075 275 1HB ARG 41 1HB ARG 41 3.881 9.487 3.149 276 2HB ARG 41 2HB ARG 41 4.941 10.240 1.975 277 1HG ARG 41 1HG ARG 41 5.149 12.212 3.649 278 2HG ARG 41 2HG ARG 41 4.375 11.165 4.822 279 1HD ARG 41 1HD ARG 41 6.227 9.789 5.031 280 2HD ARG 41 2HD ARG 41 6.663 9.933 3.340 281 HE ARG 41 HE ARG 41 8.083 11.693 3.906 282 1HH1 ARG 41 1HH1 ARG 41 5.647 11.363 6.424 283 2HH1 ARG 41 2HH1 ARG 41 6.353 12.573 7.444 284 1HH2 ARG 41 1HH2 ARG 41 9.014 13.289 5.251 285 2HH2 ARG 41 2HH2 ARG 41 8.281 13.676 6.771 286 H ILE 42 H ILE 42 3.103 10.618 -0.226 287 HA ILE 42 HA ILE 42 3.578 13.274 -1.206 288 HB ILE 42 HB ILE 42 5.628 12.027 -2.503 289 1HG1 ILE 42 1HG1 ILE 42 7.075 11.068 -0.710 290 2HG1 ILE 42 2HG1 ILE 42 5.706 11.101 0.383 291 1HG2 ILE 42 1HG2 ILE 42 5.288 14.328 -1.207 292 2HG2 ILE 42 2HG2 ILE 42 6.294 13.496 0.003 293 3HG2 ILE 42 3HG2 ILE 42 6.897 13.715 -1.657 294 1HD1 ILE 42 1HD1 ILE 42 5.755 9.621 -2.288 295 2HD1 ILE 42 2HD1 ILE 42 5.995 8.867 -0.693 296 3HD1 ILE 42 3HD1 ILE 42 4.427 9.601 -1.103 297 HA PRO 43 HA PRO 43 1.237 11.338 -4.299 298 1HB PRO 43 1HB PRO 43 1.008 13.450 -6.018 299 2HB PRO 43 2HB PRO 43 -0.027 13.236 -4.621 300 1HG PRO 43 1HG PRO 43 2.217 15.124 -4.992 301 2HG PRO 43 2HG PRO 43 0.924 15.175 -3.810 302 1HD PRO 43 1HD PRO 43 3.637 14.364 -3.352 303 2HD PRO 43 2HD PRO 43 2.316 14.305 -2.201 304 H GLY 44 H GLY 44 4.142 13.090 -5.146 305 1HA GLY 44 1HA GLY 44 5.861 12.384 -6.448 306 2HA GLY 44 2HA GLY 44 4.620 12.391 -7.685 307 H VAL 45 H VAL 45 4.637 10.183 -4.854 308 HA VAL 45 HA VAL 45 5.447 8.000 -6.626 309 HB VAL 45 HB VAL 45 6.240 6.906 -4.780 310 1HG1 VAL 45 1HG1 VAL 45 6.459 9.860 -4.131 311 2HG1 VAL 45 2HG1 VAL 45 7.373 8.591 -3.280 312 3HG1 VAL 45 3HG1 VAL 45 7.617 8.846 -5.024 313 1HG2 VAL 45 1HG2 VAL 45 4.320 8.527 -3.077 314 2HG2 VAL 45 2HG2 VAL 45 4.209 6.797 -3.482 315 3HG2 VAL 45 3HG2 VAL 45 5.522 7.384 -2.432 316 HA PRO 46 HA PRO 46 1.513 6.215 -6.475 317 1HB PRO 46 1HB PRO 46 1.962 3.534 -6.193 318 2HB PRO 46 2HB PRO 46 2.151 4.382 -7.714 319 1HG PRO 46 1HG PRO 46 4.240 3.391 -5.873 320 2HG PRO 46 2HG PRO 46 4.389 3.846 -7.559 321 1HD PRO 46 1HD PRO 46 5.216 5.388 -5.286 322 2HD PRO 46 2HD PRO 46 5.257 5.890 -6.964 323 H TRP 47 H TRP 47 0.668 7.308 -4.666 324 HA TRP 47 HA TRP 47 0.971 6.923 -2.115 325 1HB TRP 47 1HB TRP 47 -1.533 7.157 -3.722 326 2HB TRP 47 2HB TRP 47 -1.673 6.849 -2.003 327 HD1 TRP 47 HD1 TRP 47 1.202 9.106 -3.170 328 HE1 TRP 47 HE1 TRP 47 0.835 11.609 -2.417 329 HE3 TRP 47 HE3 TRP 47 -3.557 8.457 -1.501 330 HZ2 TRP 47 HZ2 TRP 47 -1.356 13.004 -1.234 331 HZ3 TRP 47 HZ3 TRP 47 -4.739 10.441 -0.562 332 HH2 TRP 47 HH2 TRP 47 -3.715 12.655 -0.414 333 H CYS 48 H CYS 48 -1.099 4.665 -4.088 334 HA CYS 48 HA CYS 48 -0.951 2.737 -1.942 335 1HB CYS 48 1HB CYS 48 -3.006 3.362 -3.460 336 2HB CYS 48 2HB CYS 48 -2.288 2.211 -4.570 337 H PHE 49 H PHE 49 0.734 1.293 -1.875 338 HA PHE 49 HA PHE 49 1.764 0.317 -4.424 339 1HB PHE 49 1HB PHE 49 4.090 0.547 -3.253 340 2HB PHE 49 2HB PHE 49 3.356 2.042 -3.801 341 HD1 PHE 49 HD1 PHE 49 3.639 -0.113 -0.775 342 HD2 PHE 49 HD2 PHE 49 3.093 3.805 -2.311 343 HE1 PHE 49 HE1 PHE 49 3.808 0.822 1.549 344 HE2 PHE 49 HE2 PHE 49 3.262 4.740 0.013 345 HZ PHE 49 HZ PHE 49 3.618 3.237 1.915 346 H LYS 50 H LYS 50 3.242 -1.653 -4.054 347 HA LYS 50 HA LYS 50 1.836 -3.479 -2.422 348 1HB LYS 50 1HB LYS 50 4.371 -3.647 -4.061 349 2HB LYS 50 2HB LYS 50 3.776 -5.002 -3.124 350 1HG LYS 50 1HG LYS 50 1.484 -4.098 -4.477 351 2HG LYS 50 2HG LYS 50 2.759 -3.895 -5.662 352 1HD LYS 50 1HD LYS 50 3.247 -6.425 -4.445 353 2HD LYS 50 2HD LYS 50 1.516 -6.358 -4.709 354 1HE LYS 50 1HE LYS 50 2.639 -5.293 -7.083 355 2HE LYS 50 2HE LYS 50 3.678 -6.644 -6.672 356 1HZ LYS 50 1HZ LYS 50 1.288 -7.693 -6.252 357 2HZ LYS 50 2HZ LYS 50 0.919 -6.652 -7.455 358 3HZ LYS 50 3HZ LYS 50 2.071 -7.787 -7.682 359 HA PRO 51 HA PRO 51 4.080 -3.274 1.258 360 1HB PRO 51 1HB PRO 51 4.151 -5.864 2.128 361 2HB PRO 51 2HB PRO 51 2.741 -4.837 2.291 362 1HG PRO 51 1HG PRO 51 3.212 -7.051 0.390 363 2HG PRO 51 2HG PRO 51 1.695 -6.308 0.855 364 1HD PRO 51 1HD PRO 51 3.136 -5.884 -1.589 365 2HD PRO 51 2HD PRO 51 1.680 -5.055 -1.073 366 H LEU 52 H LEU 52 6.114 -2.682 1.624 367 HA LEU 52 HA LEU 52 8.192 -3.212 0.094 368 1HB LEU 52 1HB LEU 52 8.405 -1.716 1.896 369 2HB LEU 52 2HB LEU 52 8.060 -2.954 3.088 370 HG LEU 52 HG LEU 52 10.544 -2.958 1.357 371 1HD1 LEU 52 1HD1 LEU 52 10.114 -1.781 4.112 372 2HD1 LEU 52 2HD1 LEU 52 11.714 -2.143 3.421 373 3HD1 LEU 52 3HD1 LEU 52 10.655 -0.948 2.635 374 1HD2 LEU 52 1HD2 LEU 52 9.389 -4.852 3.196 375 2HD2 LEU 52 2HD2 LEU 52 10.836 -5.001 2.170 376 3HD2 LEU 52 3HD2 LEU 52 10.968 -4.293 3.798 377 H GLN 53 H GLN 53 9.630 -4.838 -0.420 378 HA GLN 53 HA GLN 53 8.770 -7.442 0.058 379 1HB GLN 53 1HB GLN 53 11.090 -8.006 -0.956 380 2HB GLN 53 2HB GLN 53 9.966 -7.101 -1.951 381 1HG GLN 53 1HG GLN 53 11.730 -5.434 -0.209 382 2HG GLN 53 2HG GLN 53 12.565 -6.333 -1.460 383 2HE2 GLN 53 2HE2 GLN 53 11.258 -3.466 -0.781 384 1HE2 GLN 53 1HE2 GLN 53 10.762 -2.908 -2.344 385 H GLU 54 H GLU 54 8.609 -7.314 2.485 386 HA GLU 54 HA GLU 54 10.615 -6.856 4.190 387 1HB GLU 54 1HB GLU 54 9.359 -8.029 5.794 388 2HB GLU 54 2HB GLU 54 8.151 -7.622 4.592 389 1HG GLU 54 1HG GLU 54 8.633 -9.925 3.520 390 2HG GLU 54 2HG GLU 54 9.558 -10.301 4.960 391 H ALA 55 H ALA 55 12.655 -7.641 4.473 392 HA ALA 55 HA ALA 55 13.128 -10.469 4.114 393 1HB ALA 55 1HB ALA 55 15.021 -10.049 2.538 394 2HB ALA 55 2HB ALA 55 13.435 -9.647 1.837 395 3HB ALA 55 3HB ALA 55 14.506 -8.350 2.418 396 H GLU 56 H GLU 56 13.971 -10.889 6.103 397 HA GLU 56 HA GLU 56 16.435 -9.738 6.775 398 1HB GLU 56 1HB GLU 56 14.092 -8.347 7.745 399 2HB GLU 56 2HB GLU 56 14.911 -9.075 9.113 400 1HG GLU 56 1HG GLU 56 17.086 -8.079 7.834 401 2HG GLU 56 2HG GLU 56 15.891 -6.958 7.213 402 H CYS 57 H CYS 57 17.521 -11.032 8.319 403 HA CYS 57 HA CYS 57 17.941 -12.835 9.494 404 1HB CYS 57 1HB CYS 57 15.276 -12.028 10.492 405 2HB CYS 57 2HB CYS 57 15.747 -13.677 10.852 406 H THR 58 H THR 58 18.208 -13.995 7.418 407 HA THR 58 HA THR 58 17.630 -15.460 5.799 408 HB THR 58 HB THR 58 18.425 -16.999 7.434 409 HG1 THR 58 HG1 THR 58 15.611 -17.716 7.049 410 1HG2 THR 58 1HG2 THR 58 15.743 -16.655 8.878 411 2HG2 THR 58 2HG2 THR 58 17.060 -17.746 9.373 412 3HG2 THR 58 3HG2 THR 58 17.293 -15.983 9.440 413 H PHE 59 H PHE 59 16.047 -14.217 4.673 414 HA PHE 59 HA PHE 59 13.988 -13.660 4.013 415 1HB PHE 59 1HB PHE 59 14.657 -16.177 3.329 416 2HB PHE 59 2HB PHE 59 13.365 -16.623 4.426 417 HD1 PHE 59 HD1 PHE 59 14.114 -14.729 1.337 418 HD2 PHE 59 HD2 PHE 59 11.101 -16.474 3.762 419 HE1 PHE 59 HE1 PHE 59 12.437 -14.383 -0.498 420 HE2 PHE 59 HE2 PHE 59 9.424 -16.129 1.927 421 HZ PHE 59 HZ PHE 59 10.111 -15.087 -0.181 No H/Q in entry = 421 Start of MODEL 66 1 H GLU 1 H GLU 1 5.063 -15.725 14.099 2 HA GLU 1 HA GLU 1 5.546 -16.360 16.777 3 1HB GLU 1 1HB GLU 1 7.278 -17.681 14.913 4 2HB GLU 1 2HB GLU 1 8.226 -16.428 15.688 5 1HG GLU 1 1HG GLU 1 8.438 -18.364 17.093 6 2HG GLU 1 2HG GLU 1 7.348 -17.283 17.938 7 H GLU 2 H GLU 2 7.076 -14.827 13.856 8 HA GLU 2 HA GLU 2 7.241 -12.390 15.452 9 1HB GLU 2 1HB GLU 2 9.414 -13.574 14.584 10 2HB GLU 2 2HB GLU 2 8.961 -12.937 13.015 11 1HG GLU 2 1HG GLU 2 8.762 -10.626 14.177 12 2HG GLU 2 2HG GLU 2 9.562 -11.360 15.552 13 H TYR 3 H TYR 3 6.987 -13.592 12.025 14 HA TYR 3 HA TYR 3 6.243 -11.413 10.700 15 1HB TYR 3 1HB TYR 3 6.290 -13.595 9.630 16 2HB TYR 3 2HB TYR 3 5.200 -14.286 10.815 17 HD1 TYR 3 HD1 TYR 3 5.310 -11.812 8.013 18 HD2 TYR 3 HD2 TYR 3 2.903 -14.467 10.350 19 HE1 TYR 3 HE1 TYR 3 3.349 -11.431 6.440 20 HE2 TYR 3 HE2 TYR 3 0.950 -14.077 8.770 21 HH TYR 3 HH TYR 3 1.329 -12.646 5.757 22 H VAL 4 H VAL 4 4.808 -9.786 10.985 23 HA VAL 4 HA VAL 4 2.092 -10.284 11.493 24 HB VAL 4 HB VAL 4 3.133 -10.739 13.754 25 1HG1 VAL 4 1HG1 VAL 4 4.663 -8.593 13.381 26 2HG1 VAL 4 2HG1 VAL 4 3.298 -7.784 14.187 27 3HG1 VAL 4 3HG1 VAL 4 4.155 -9.113 15.006 28 1HG2 VAL 4 1HG2 VAL 4 0.715 -9.724 13.077 29 2HG2 VAL 4 2HG2 VAL 4 1.189 -10.123 14.746 30 3HG2 VAL 4 3HG2 VAL 4 1.297 -8.443 14.168 31 H GLY 5 H GLY 5 1.689 -8.921 9.762 32 1HA GLY 5 1HA GLY 5 1.461 -6.990 8.637 33 2HA GLY 5 2HA GLY 5 3.031 -6.518 9.254 34 H LEU 6 H LEU 6 -0.345 -5.901 9.342 35 HA LEU 6 HA LEU 6 -1.360 -4.117 10.257 36 1HB LEU 6 1HB LEU 6 -2.201 -4.630 12.358 37 2HB LEU 6 2HB LEU 6 -1.833 -6.180 11.629 38 HG LEU 6 HG LEU 6 0.494 -5.553 13.025 39 1HD1 LEU 6 1HD1 LEU 6 -1.472 -3.890 14.094 40 2HD1 LEU 6 2HD1 LEU 6 -1.381 -5.262 15.223 41 3HD1 LEU 6 3HD1 LEU 6 0.085 -4.330 14.836 42 1HD2 LEU 6 1HD2 LEU 6 -1.862 -7.323 13.708 43 2HD2 LEU 6 2HD2 LEU 6 -0.347 -7.770 12.886 44 3HD2 LEU 6 3HD2 LEU 6 -0.328 -7.331 14.611 45 H SER 7 H SER 7 0.993 -3.115 9.502 46 HA SER 7 HA SER 7 1.379 -1.049 11.298 47 1HB SER 7 1HB SER 7 3.570 -1.457 12.202 48 2HB SER 7 2HB SER 7 2.605 -2.874 12.565 49 HG SER 7 HG SER 7 4.941 -2.918 11.414 50 H ALA 8 H ALA 8 3.895 -0.083 10.612 51 HA ALA 8 HA ALA 8 3.511 0.493 7.840 52 1HB ALA 8 1HB ALA 8 4.215 2.225 9.407 53 2HB ALA 8 2HB ALA 8 5.655 1.279 9.854 54 3HB ALA 8 3HB ALA 8 5.507 1.952 8.213 55 H ASN 9 H ASN 9 5.465 -1.716 9.798 56 HA ASN 9 HA ASN 9 7.626 -2.216 8.409 57 1HB ASN 9 1HB ASN 9 5.594 -4.159 9.578 58 2HB ASN 9 2HB ASN 9 7.055 -4.771 8.828 59 2HD2 ASN 9 2HD2 ASN 9 7.736 -5.604 10.807 60 1HD2 ASN 9 1HD2 ASN 9 8.419 -4.617 12.055 61 H GLN 10 H GLN 10 4.268 -2.809 7.375 62 HA GLN 10 HA GLN 10 5.096 -4.370 5.120 63 1HB GLN 10 1HB GLN 10 2.821 -4.378 6.600 64 2HB GLN 10 2HB GLN 10 2.306 -3.292 5.325 65 1HG GLN 10 1HG GLN 10 3.316 -5.126 3.703 66 2HG GLN 10 2HG GLN 10 3.197 -6.182 5.097 67 2HE2 GLN 10 2HE2 GLN 10 0.929 -5.151 6.327 68 1HE2 GLN 10 1HE2 GLN 10 -0.470 -5.471 5.358 69 H CYS 11 H CYS 11 3.640 -1.117 5.776 70 HA CYS 11 HA CYS 11 4.304 -0.411 3.015 71 1HB CYS 11 1HB CYS 11 2.585 1.380 4.638 72 2HB CYS 11 2HB CYS 11 2.522 0.992 2.930 73 H ALA 12 H ALA 12 6.460 -0.601 4.753 74 HA ALA 12 HA ALA 12 6.896 2.120 5.742 75 1HB ALA 12 1HB ALA 12 9.015 0.788 6.668 76 2HB ALA 12 2HB ALA 12 7.436 0.701 7.485 77 3HB ALA 12 3HB ALA 12 7.951 -0.613 6.401 78 H VAL 13 H VAL 13 6.793 1.830 2.937 79 HA VAL 13 HA VAL 13 9.562 1.597 2.082 80 HB VAL 13 HB VAL 13 7.536 2.395 0.123 81 1HG1 VAL 13 1HG1 VAL 13 9.931 0.772 0.322 82 2HG1 VAL 13 2HG1 VAL 13 8.631 -0.114 -0.510 83 3HG1 VAL 13 3HG1 VAL 13 9.152 1.477 -1.115 84 1HG2 VAL 13 1HG2 VAL 13 7.104 -0.041 1.846 85 2HG2 VAL 13 2HG2 VAL 13 5.926 1.172 1.290 86 3HG2 VAL 13 3HG2 VAL 13 6.584 -0.021 0.144 87 HA PRO 14 HA PRO 14 10.171 5.872 1.986 88 1HB PRO 14 1HB PRO 14 12.069 6.130 0.037 89 2HB PRO 14 2HB PRO 14 12.439 5.623 1.674 90 1HG PRO 14 1HG PRO 14 12.303 3.990 -0.786 91 2HG PRO 14 2HG PRO 14 13.067 3.608 0.744 92 1HD PRO 14 1HD PRO 14 10.566 2.592 -0.226 93 2HD PRO 14 2HD PRO 14 11.275 2.302 1.350 94 H ALA 15 H ALA 15 10.154 4.756 -1.373 95 HA ALA 15 HA ALA 15 7.818 5.699 -2.203 96 1HB ALA 15 1HB ALA 15 9.686 7.986 -1.667 97 2HB ALA 15 2HB ALA 15 7.916 7.896 -1.499 98 3HB ALA 15 3HB ALA 15 8.649 8.069 -3.111 99 H LYS 16 H LYS 16 11.272 5.318 -2.637 100 HA LYS 16 HA LYS 16 10.987 5.284 -5.534 101 1HB LYS 16 1HB LYS 16 13.402 5.198 -5.582 102 2HB LYS 16 2HB LYS 16 12.879 6.500 -4.533 103 1HG LYS 16 1HG LYS 16 14.637 5.370 -3.347 104 2HG LYS 16 2HG LYS 16 13.147 4.898 -2.555 105 1HD LYS 16 1HD LYS 16 13.301 2.705 -3.256 106 2HD LYS 16 2HD LYS 16 13.959 3.137 -4.821 107 1HE LYS 16 1HE LYS 16 16.085 2.764 -4.109 108 2HE LYS 16 2HE LYS 16 15.875 3.842 -2.743 109 1HZ LYS 16 1HZ LYS 16 14.827 1.103 -2.754 110 2HZ LYS 16 2HZ LYS 16 16.317 1.475 -2.199 111 3HZ LYS 16 3HZ LYS 16 14.995 2.100 -1.472 112 H ASP 17 H ASP 17 10.331 3.232 -3.005 113 HA ASP 17 HA ASP 17 11.226 0.927 -4.547 114 1HB ASP 17 1HB ASP 17 11.259 1.562 -1.695 115 2HB ASP 17 2HB ASP 17 10.328 0.102 -1.968 116 H ARG 18 H ARG 18 8.670 2.859 -4.422 117 HA ARG 18 HA ARG 18 6.620 1.103 -3.588 118 1HB ARG 18 1HB ARG 18 6.264 3.548 -5.375 119 2HB ARG 18 2HB ARG 18 5.107 2.873 -4.244 120 1HG ARG 18 1HG ARG 18 7.772 4.156 -3.471 121 2HG ARG 18 2HG ARG 18 6.208 4.939 -3.355 122 1HD ARG 18 1HD ARG 18 5.489 2.956 -1.844 123 2HD ARG 18 2HD ARG 18 7.183 2.512 -1.787 124 HE ARG 18 HE ARG 18 7.501 4.229 -0.249 125 1HH1 ARG 18 1HH1 ARG 18 4.723 5.038 -2.252 126 2HH1 ARG 18 2HH1 ARG 18 4.370 6.502 -1.395 127 1HH2 ARG 18 1HH2 ARG 18 7.036 6.160 0.882 128 2HH2 ARG 18 2HH2 ARG 18 5.695 7.144 0.400 129 H VAL 19 H VAL 19 6.070 -0.697 -4.784 130 HA VAL 19 HA VAL 19 6.740 -0.875 -7.544 131 HB VAL 19 HB VAL 19 4.991 -2.671 -5.854 132 1HG1 VAL 19 1HG1 VAL 19 6.294 -2.917 -8.544 133 2HG1 VAL 19 2HG1 VAL 19 6.144 -4.367 -7.523 134 3HG1 VAL 19 3HG1 VAL 19 4.688 -3.459 -7.997 135 1HG2 VAL 19 1HG2 VAL 19 7.457 -2.052 -5.083 136 2HG2 VAL 19 2HG2 VAL 19 6.832 -3.715 -4.967 137 3HG2 VAL 19 3HG2 VAL 19 7.889 -3.254 -6.323 138 H ASP 20 H ASP 20 4.257 0.703 -5.854 139 HA ASP 20 HA ASP 20 2.390 1.628 -6.449 140 1HB ASP 20 1HB ASP 20 3.740 2.358 -8.452 141 2HB ASP 20 2HB ASP 20 3.189 0.936 -9.315 142 H CYS 21 H CYS 21 0.440 0.585 -6.020 143 HA CYS 21 HA CYS 21 0.067 -2.092 -6.962 144 1HB CYS 21 1HB CYS 21 -0.645 -0.852 -4.688 145 2HB CYS 21 2HB CYS 21 -2.129 -0.629 -5.592 146 H GLY 22 H GLY 22 -0.618 1.153 -8.003 147 1HA GLY 22 1HA GLY 22 -1.763 0.365 -10.432 148 2HA GLY 22 2HA GLY 22 -1.742 1.984 -9.761 149 H TYR 23 H TYR 23 -3.399 2.426 -7.935 150 HA TYR 23 HA TYR 23 -5.928 1.215 -8.774 151 1HB TYR 23 1HB TYR 23 -4.510 0.590 -6.421 152 2HB TYR 23 2HB TYR 23 -5.542 1.896 -5.873 153 HD1 TYR 23 HD1 TYR 23 -5.759 -1.321 -7.795 154 HD2 TYR 23 HD2 TYR 23 -7.672 1.384 -5.088 155 HE1 TYR 23 HE1 TYR 23 -7.689 -2.953 -7.516 156 HE2 TYR 23 HE2 TYR 23 -9.595 -0.257 -4.818 157 HH TYR 23 HH TYR 23 -10.590 -2.041 -5.829 158 HA PRO 24 HA PRO 24 -7.189 5.356 -8.619 159 1HB PRO 24 1HB PRO 24 -9.902 5.042 -8.715 160 2HB PRO 24 2HB PRO 24 -8.878 4.966 -10.135 161 1HG PRO 24 1HG PRO 24 -10.191 2.755 -8.676 162 2HG PRO 24 2HG PRO 24 -9.534 2.761 -10.301 163 1HD PRO 24 1HD PRO 24 -8.332 1.603 -7.968 164 2HD PRO 24 2HD PRO 24 -7.624 1.712 -9.568 165 H HIS 25 H HIS 25 -9.836 3.892 -6.840 166 HA HIS 25 HA HIS 25 -9.666 5.918 -4.887 167 1HB HIS 25 1HB HIS 25 -11.658 5.132 -4.186 168 2HB HIS 25 2HB HIS 25 -11.633 4.313 -5.735 169 HD1 HIS 25 HD1 HIS 25 -12.386 3.615 -2.355 170 HD2 HIS 25 HD2 HIS 25 -10.211 1.572 -5.304 171 HE1 HIS 25 HE1 HIS 25 -12.291 1.175 -1.612 172 HE2 HIS 25 HE2 HIS 25 -10.991 -0.040 -3.490 173 H VAL 26 H VAL 26 -7.766 6.028 -3.728 174 HA VAL 26 HA VAL 26 -7.079 3.590 -2.239 175 HB VAL 26 HB VAL 26 -4.713 4.401 -2.370 176 1HG1 VAL 26 1HG1 VAL 26 -6.239 3.474 -4.801 177 2HG1 VAL 26 2HG1 VAL 26 -4.477 3.715 -4.860 178 3HG1 VAL 26 3HG1 VAL 26 -5.177 2.547 -3.715 179 1HG2 VAL 26 1HG2 VAL 26 -5.685 6.748 -3.242 180 2HG2 VAL 26 2HG2 VAL 26 -4.043 6.180 -3.628 181 3HG2 VAL 26 3HG2 VAL 26 -5.356 5.980 -4.814 182 H THR 27 H THR 27 -7.159 3.843 -0.063 183 HA THR 27 HA THR 27 -6.845 6.572 0.982 184 HB THR 27 HB THR 27 -8.836 6.330 2.303 185 HG1 THR 27 HG1 THR 27 -8.449 3.560 1.443 186 1HG2 THR 27 1HG2 THR 27 -9.377 6.571 -0.181 187 2HG2 THR 27 2HG2 THR 27 -9.495 4.796 -0.264 188 3HG2 THR 27 3HG2 THR 27 -10.632 5.718 0.749 189 HA PRO 28 HA PRO 28 -4.363 4.781 3.991 190 1HB PRO 28 1HB PRO 28 -4.933 6.164 6.278 191 2HB PRO 28 2HB PRO 28 -3.916 6.801 5.002 192 1HG PRO 28 1HG PRO 28 -6.705 7.510 5.678 193 2HG PRO 28 2HG PRO 28 -5.549 8.405 4.713 194 1HD PRO 28 1HD PRO 28 -7.752 6.846 3.742 195 2HD PRO 28 2HD PRO 28 -6.528 7.645 2.776 196 H LYS 29 H LYS 29 -6.744 3.310 3.452 197 HA LYS 29 HA LYS 29 -6.564 1.492 5.552 198 1HB LYS 29 1HB LYS 29 -7.859 3.509 6.609 199 2HB LYS 29 2HB LYS 29 -9.220 2.900 5.689 200 1HG LYS 29 1HG LYS 29 -7.857 0.686 7.015 201 2HG LYS 29 2HG LYS 29 -8.243 1.931 8.187 202 1HD LYS 29 1HD LYS 29 -10.580 1.812 6.672 203 2HD LYS 29 2HD LYS 29 -10.059 0.138 6.675 204 1HE LYS 29 1HE LYS 29 -9.730 1.253 9.346 205 2HE LYS 29 2HE LYS 29 -11.362 1.563 8.786 206 1HZ LYS 29 1HZ LYS 29 -11.050 -0.947 8.038 207 2HZ LYS 29 2HZ LYS 29 -10.084 -0.945 9.355 208 3HZ LYS 29 3HZ LYS 29 -11.655 -0.519 9.494 209 H GLU 30 H GLU 30 -8.744 2.972 3.077 210 HA GLU 30 HA GLU 30 -9.899 0.479 2.443 211 1HB GLU 30 1HB GLU 30 -10.640 3.056 2.024 212 2HB GLU 30 2HB GLU 30 -9.941 2.721 0.452 213 1HG GLU 30 1HG GLU 30 -12.186 2.059 0.161 214 2HG GLU 30 2HG GLU 30 -11.383 0.536 0.491 215 H CYS 31 H CYS 31 -7.009 2.247 1.460 216 HA CYS 31 HA CYS 31 -6.681 0.790 -0.973 217 1HB CYS 31 1HB CYS 31 -5.713 2.862 -1.122 218 2HB CYS 31 2HB CYS 31 -5.135 2.848 0.532 219 H ASN 32 H ASN 32 -5.731 0.573 2.459 220 HA ASN 32 HA ASN 32 -3.877 -1.544 1.879 221 1HB ASN 32 1HB ASN 32 -4.791 -0.725 4.664 222 2HB ASN 32 2HB ASN 32 -3.238 -1.378 4.184 223 2HD2 ASN 32 2HD2 ASN 32 -5.353 1.421 4.076 224 1HD2 ASN 32 1HD2 ASN 32 -4.143 2.627 3.789 225 H ASN 33 H ASN 33 -7.180 -1.275 1.994 226 HA ASN 33 HA ASN 33 -7.562 -3.709 3.529 227 1HB ASN 33 1HB ASN 33 -9.035 -1.783 4.104 228 2HB ASN 33 2HB ASN 33 -9.565 -1.663 2.438 229 2HD2 ASN 33 2HD2 ASN 33 -11.271 -1.993 4.620 230 1HD2 ASN 33 1HD2 ASN 33 -12.079 -3.521 4.509 231 H ARG 34 H ARG 34 -8.031 -2.106 0.336 232 HA ARG 34 HA ARG 34 -9.527 -4.056 -0.871 233 1HB ARG 34 1HB ARG 34 -8.558 -1.632 -1.638 234 2HB ARG 34 2HB ARG 34 -7.420 -2.648 -2.501 235 1HG ARG 34 1HG ARG 34 -9.372 -2.136 -3.930 236 2HG ARG 34 2HG ARG 34 -9.289 -3.856 -3.603 237 1HD ARG 34 1HD ARG 34 -11.096 -3.775 -2.039 238 2HD ARG 34 2HD ARG 34 -10.952 -2.042 -1.819 239 HE ARG 34 HE ARG 34 -12.119 -1.679 -3.859 240 1HH1 ARG 34 1HH1 ARG 34 -11.480 -5.103 -3.356 241 2HH1 ARG 34 2HH1 ARG 34 -12.573 -5.620 -4.596 242 1HH2 ARG 34 1HH2 ARG 34 -13.562 -2.360 -5.494 243 2HH2 ARG 34 2HH2 ARG 34 -13.765 -4.049 -5.820 244 H GLY 35 H GLY 35 -6.104 -3.940 -0.017 245 1HA GLY 35 1HA GLY 35 -5.651 -6.451 -1.517 246 2HA GLY 35 2HA GLY 35 -5.121 -6.204 0.135 247 H CYS 36 H CYS 36 -3.657 -4.208 0.521 248 HA CYS 36 HA CYS 36 -1.359 -4.456 -0.878 249 1HB CYS 36 1HB CYS 36 -3.205 -3.111 -2.524 250 2HB CYS 36 2HB CYS 36 -2.112 -1.875 -1.934 251 H CYS 37 H CYS 37 -0.559 -1.602 -0.886 252 HA CYS 37 HA CYS 37 -1.023 -0.981 1.940 253 1HB CYS 37 1HB CYS 37 1.517 -1.217 0.412 254 2HB CYS 37 2HB CYS 37 1.399 0.109 1.552 255 H PHE 38 H PHE 38 -0.878 1.389 2.416 256 HA PHE 38 HA PHE 38 -1.431 2.976 0.007 257 1HB PHE 38 1HB PHE 38 -3.439 2.608 1.434 258 2HB PHE 38 2HB PHE 38 -2.534 3.024 2.876 259 HD1 PHE 38 HD1 PHE 38 -4.118 4.365 -0.155 260 HD2 PHE 38 HD2 PHE 38 -2.147 5.319 3.480 261 HE1 PHE 38 HE1 PHE 38 -4.845 6.756 -0.388 262 HE2 PHE 38 HE2 PHE 38 -2.874 7.710 3.247 263 HZ PHE 38 HZ PHE 38 -4.214 8.400 1.315 264 H ASP 39 H ASP 39 -1.244 5.486 0.682 265 HA ASP 39 HA ASP 39 0.490 6.215 2.671 266 1HB ASP 39 1HB ASP 39 2.248 4.972 1.526 267 2HB ASP 39 2HB ASP 39 1.820 5.678 -0.020 268 H SER 40 H SER 40 0.632 8.547 2.674 269 HA SER 40 HA SER 40 -0.289 9.839 0.238 270 1HB SER 40 1HB SER 40 -1.775 11.311 1.522 271 2HB SER 40 2HB SER 40 -2.225 9.637 1.780 272 HG SER 40 HG SER 40 -2.179 10.406 3.836 273 H ARG 41 H ARG 41 2.314 9.377 1.939 274 HA ARG 41 HA ARG 41 2.998 11.782 3.092 275 1HB ARG 41 1HB ARG 41 4.178 9.319 2.881 276 2HB ARG 41 2HB ARG 41 5.161 10.203 1.731 277 1HG ARG 41 1HG ARG 41 5.013 11.980 3.881 278 2HG ARG 41 2HG ARG 41 5.062 10.423 4.684 279 1HD ARG 41 1HD ARG 41 7.024 10.027 2.816 280 2HD ARG 41 2HD ARG 41 7.156 11.764 3.008 281 HE ARG 41 HE ARG 41 7.922 9.754 4.957 282 1HH1 ARG 41 1HH1 ARG 41 6.695 13.037 4.647 283 2HH1 ARG 41 2HH1 ARG 41 7.319 13.552 6.179 284 1HH2 ARG 41 1HH2 ARG 41 8.745 10.432 6.978 285 2HH2 ARG 41 2HH2 ARG 41 8.493 12.059 7.513 286 H ILE 42 H ILE 42 3.245 10.554 -0.278 287 HA ILE 42 HA ILE 42 3.547 13.258 -1.215 288 HB ILE 42 HB ILE 42 5.539 12.123 -2.681 289 1HG1 ILE 42 1HG1 ILE 42 7.125 11.110 -1.065 290 2HG1 ILE 42 2HG1 ILE 42 5.869 11.106 0.157 291 1HG2 ILE 42 1HG2 ILE 42 5.278 14.378 -1.408 292 2HG2 ILE 42 2HG2 ILE 42 6.199 13.556 -0.126 293 3HG2 ILE 42 3HG2 ILE 42 6.904 13.739 -1.750 294 1HD1 ILE 42 1HD1 ILE 42 5.231 9.847 -2.505 295 2HD1 ILE 42 2HD1 ILE 42 6.303 8.966 -1.389 296 3HD1 ILE 42 3HD1 ILE 42 4.656 9.408 -0.879 297 HA PRO 43 HA PRO 43 1.066 11.344 -4.209 298 1HB PRO 43 1HB PRO 43 0.704 13.482 -5.873 299 2HB PRO 43 2HB PRO 43 -0.242 13.227 -4.420 300 1HG PRO 43 1HG PRO 43 1.947 15.157 -4.891 301 2HG PRO 43 2HG PRO 43 0.727 15.167 -3.634 302 1HD PRO 43 1HD PRO 43 3.474 14.391 -3.353 303 2HD PRO 43 2HD PRO 43 2.226 14.292 -2.127 304 H GLY 44 H GLY 44 3.949 13.073 -5.118 305 1HA GLY 44 1HA GLY 44 5.578 12.438 -6.553 306 2HA GLY 44 2HA GLY 44 4.273 12.458 -7.722 307 H VAL 45 H VAL 45 4.595 10.208 -4.923 308 HA VAL 45 HA VAL 45 5.294 8.065 -6.775 309 HB VAL 45 HB VAL 45 6.176 6.952 -4.984 310 1HG1 VAL 45 1HG1 VAL 45 6.544 9.859 -4.858 311 2HG1 VAL 45 2HG1 VAL 45 6.900 9.039 -3.319 312 3HG1 VAL 45 3HG1 VAL 45 7.745 8.547 -4.806 313 1HG2 VAL 45 1HG2 VAL 45 4.116 8.389 -3.313 314 2HG2 VAL 45 2HG2 VAL 45 4.372 6.641 -3.530 315 3HG2 VAL 45 3HG2 VAL 45 5.518 7.594 -2.558 316 HA PRO 46 HA PRO 46 1.409 6.187 -6.488 317 1HB PRO 46 1HB PRO 46 1.903 3.520 -6.148 318 2HB PRO 46 2HB PRO 46 2.053 4.333 -7.693 319 1HG PRO 46 1HG PRO 46 4.189 3.419 -5.865 320 2HG PRO 46 2HG PRO 46 4.301 3.834 -7.564 321 1HD PRO 46 1HD PRO 46 5.144 5.444 -5.345 322 2HD PRO 46 2HD PRO 46 5.149 5.905 -7.035 323 H TRP 47 H TRP 47 0.487 7.253 -4.732 324 HA TRP 47 HA TRP 47 0.886 6.918 -2.151 325 1HB TRP 47 1HB TRP 47 -1.601 7.245 -3.750 326 2HB TRP 47 2HB TRP 47 -1.785 6.860 -2.050 327 HD1 TRP 47 HD1 TRP 47 1.121 9.137 -3.153 328 HE1 TRP 47 HE1 TRP 47 0.806 11.596 -2.249 329 HE3 TRP 47 HE3 TRP 47 -3.588 8.439 -1.365 330 HZ2 TRP 47 HZ2 TRP 47 -1.329 12.944 -0.918 331 HZ3 TRP 47 HZ3 TRP 47 -4.717 10.378 -0.278 332 HH2 TRP 47 HH2 TRP 47 -3.663 12.570 -0.040 333 H CYS 48 H CYS 48 -1.152 4.657 -4.148 334 HA CYS 48 HA CYS 48 -1.023 2.742 -1.973 335 1HB CYS 48 1HB CYS 48 -3.138 3.388 -3.343 336 2HB CYS 48 2HB CYS 48 -2.480 2.319 -4.567 337 H PHE 49 H PHE 49 0.841 1.518 -1.967 338 HA PHE 49 HA PHE 49 1.706 0.465 -4.563 339 1HB PHE 49 1HB PHE 49 4.057 0.640 -3.431 340 2HB PHE 49 2HB PHE 49 3.331 2.154 -3.933 341 HD1 PHE 49 HD1 PHE 49 3.498 -0.075 -0.943 342 HD2 PHE 49 HD2 PHE 49 3.264 3.896 -2.418 343 HE1 PHE 49 HE1 PHE 49 3.721 0.807 1.397 344 HE2 PHE 49 HE2 PHE 49 3.487 4.779 -0.079 345 HZ PHE 49 HZ PHE 49 3.713 3.223 1.800 346 H LYS 50 H LYS 50 3.178 -1.526 -4.262 347 HA LYS 50 HA LYS 50 1.778 -3.409 -2.729 348 1HB LYS 50 1HB LYS 50 4.454 -3.522 -4.146 349 2HB LYS 50 2HB LYS 50 3.696 -4.910 -3.392 350 1HG LYS 50 1HG LYS 50 1.580 -4.081 -4.855 351 2HG LYS 50 2HG LYS 50 2.845 -3.373 -5.840 352 1HD LYS 50 1HD LYS 50 3.798 -5.969 -5.288 353 2HD LYS 50 2HD LYS 50 2.079 -6.200 -5.539 354 1HE LYS 50 1HE LYS 50 2.934 -4.378 -7.570 355 2HE LYS 50 2HE LYS 50 4.150 -5.637 -7.508 356 1HZ LYS 50 1HZ LYS 50 1.261 -6.138 -7.702 357 2HZ LYS 50 2HZ LYS 50 2.299 -6.176 -8.962 358 3HZ LYS 50 3HZ LYS 50 2.440 -7.267 -7.755 359 HA PRO 51 HA PRO 51 3.794 -3.247 1.082 360 1HB PRO 51 1HB PRO 51 3.805 -5.851 1.911 361 2HB PRO 51 2HB PRO 51 2.391 -4.821 2.008 362 1HG PRO 51 1HG PRO 51 2.965 -7.006 0.101 363 2HG PRO 51 2HG PRO 51 1.426 -6.263 0.489 364 1HD PRO 51 1HD PRO 51 3.008 -5.806 -1.859 365 2HD PRO 51 2HD PRO 51 1.528 -4.979 -1.415 366 H LEU 52 H LEU 52 5.802 -2.705 1.632 367 HA LEU 52 HA LEU 52 7.966 -3.230 0.190 368 1HB LEU 52 1HB LEU 52 8.205 -1.730 1.928 369 2HB LEU 52 2HB LEU 52 7.578 -2.842 3.129 370 HG LEU 52 HG LEU 52 10.241 -3.260 1.757 371 1HD1 LEU 52 1HD1 LEU 52 9.615 -1.142 3.485 372 2HD1 LEU 52 2HD1 LEU 52 10.469 -2.339 4.488 373 3HD1 LEU 52 3HD1 LEU 52 11.230 -1.714 3.005 374 1HD2 LEU 52 1HD2 LEU 52 8.671 -4.873 3.475 375 2HD2 LEU 52 2HD2 LEU 52 10.326 -5.164 2.887 376 3HD2 LEU 52 3HD2 LEU 52 10.066 -4.301 4.422 377 H GLN 53 H GLN 53 9.449 -4.859 -0.201 378 HA GLN 53 HA GLN 53 8.540 -7.460 0.244 379 1HB GLN 53 1HB GLN 53 10.880 -6.147 -1.042 380 2HB GLN 53 2HB GLN 53 11.186 -7.774 -0.467 381 1HG GLN 53 1HG GLN 53 10.220 -8.497 -2.395 382 2HG GLN 53 2HG GLN 53 8.687 -8.036 -1.681 383 2HE2 GLN 53 2HE2 GLN 53 8.473 -5.461 -1.718 384 1HE2 GLN 53 1HE2 GLN 53 8.637 -4.759 -3.293 385 H GLU 54 H GLU 54 8.263 -7.230 2.675 386 HA GLU 54 HA GLU 54 10.226 -6.798 4.444 387 1HB GLU 54 1HB GLU 54 8.875 -7.904 6.038 388 2HB GLU 54 2HB GLU 54 7.733 -7.395 4.811 389 1HG GLU 54 1HG GLU 54 7.095 -9.625 5.075 390 2HG GLU 54 2HG GLU 54 8.228 -9.777 3.746 391 H ALA 55 H ALA 55 12.219 -7.663 4.813 392 HA ALA 55 HA ALA 55 12.587 -10.502 4.711 393 1HB ALA 55 1HB ALA 55 13.859 -10.704 2.810 394 2HB ALA 55 2HB ALA 55 12.822 -9.356 2.284 395 3HB ALA 55 3HB ALA 55 14.460 -9.031 2.902 396 H GLU 56 H GLU 56 14.372 -11.126 5.967 397 HA GLU 56 HA GLU 56 15.532 -8.918 7.430 398 1HB GLU 56 1HB GLU 56 15.229 -11.885 7.946 399 2HB GLU 56 2HB GLU 56 16.414 -10.963 8.851 400 1HG GLU 56 1HG GLU 56 14.696 -9.453 9.711 401 2HG GLU 56 2HG GLU 56 13.485 -10.132 8.642 402 H CYS 57 H CYS 57 16.621 -12.067 5.956 403 HA CYS 57 HA CYS 57 19.170 -10.727 5.410 404 1HB CYS 57 1HB CYS 57 20.282 -12.867 5.624 405 2HB CYS 57 2HB CYS 57 19.450 -12.437 7.105 406 H THR 58 H THR 58 20.313 -11.873 3.440 407 HA THR 58 HA THR 58 18.435 -13.029 1.550 408 HB THR 58 HB THR 58 18.241 -10.503 1.339 409 HG1 THR 58 HG1 THR 58 18.063 -12.092 -0.474 410 1HG2 THR 58 1HG2 THR 58 20.860 -10.254 1.802 411 2HG2 THR 58 2HG2 THR 58 20.988 -10.590 0.059 412 3HG2 THR 58 3HG2 THR 58 20.063 -9.179 0.628 413 H PHE 59 H PHE 59 19.472 -14.049 -0.272 414 HA PHE 59 HA PHE 59 20.993 -15.534 -0.934 415 1HB PHE 59 1HB PHE 59 21.854 -12.809 -1.180 416 2HB PHE 59 2HB PHE 59 23.278 -13.678 -0.644 417 HD1 PHE 59 HD1 PHE 59 20.565 -13.927 -3.195 418 HD2 PHE 59 HD2 PHE 59 24.628 -14.679 -2.231 419 HE1 PHE 59 HE1 PHE 59 20.981 -14.696 -5.548 420 HE2 PHE 59 HE2 PHE 59 25.044 -15.448 -4.584 421 HZ PHE 59 HZ PHE 59 23.215 -15.447 -6.215 No H/Q in entry = 421 Start of MODEL 67 1 H GLU 1 H GLU 1 12.809 -13.577 16.782 2 HA GLU 1 HA GLU 1 10.675 -15.225 17.300 3 1HB GLU 1 1HB GLU 1 12.459 -15.528 19.367 4 2HB GLU 1 2HB GLU 1 11.488 -14.204 19.980 5 1HG GLU 1 1HG GLU 1 9.524 -15.889 19.002 6 2HG GLU 1 2HG GLU 1 10.734 -17.049 19.512 7 H GLU 2 H GLU 2 10.361 -13.217 15.821 8 HA GLU 2 HA GLU 2 8.989 -11.286 17.415 9 1HB GLU 2 1HB GLU 2 11.600 -10.683 16.136 10 2HB GLU 2 2HB GLU 2 10.337 -9.530 15.753 11 1HG GLU 2 1HG GLU 2 10.228 -8.723 17.905 12 2HG GLU 2 2HG GLU 2 10.434 -10.308 18.623 13 H TYR 3 H TYR 3 8.074 -9.484 15.704 14 HA TYR 3 HA TYR 3 7.765 -10.178 13.042 15 1HB TYR 3 1HB TYR 3 6.440 -11.944 14.812 16 2HB TYR 3 2HB TYR 3 5.176 -10.794 14.421 17 HD1 TYR 3 HD1 TYR 3 4.414 -10.524 12.058 18 HD2 TYR 3 HD2 TYR 3 7.216 -13.551 13.194 19 HE1 TYR 3 HE1 TYR 3 3.970 -11.762 9.882 20 HE2 TYR 3 HE2 TYR 3 6.763 -14.778 11.014 21 HH TYR 3 HH TYR 3 4.607 -13.383 8.575 22 H VAL 4 H VAL 4 5.892 -8.950 12.005 23 HA VAL 4 HA VAL 4 5.030 -6.743 13.731 24 HB VAL 4 HB VAL 4 5.392 -5.264 11.717 25 1HG1 VAL 4 1HG1 VAL 4 7.446 -6.392 13.531 26 2HG1 VAL 4 2HG1 VAL 4 8.069 -5.496 12.125 27 3HG1 VAL 4 3HG1 VAL 4 6.950 -4.704 13.261 28 1HG2 VAL 4 1HG2 VAL 4 6.961 -7.689 10.794 29 2HG2 VAL 4 2HG2 VAL 4 5.630 -6.860 9.951 30 3HG2 VAL 4 3HG2 VAL 4 7.203 -6.050 10.143 31 H GLY 5 H GLY 5 3.485 -5.353 11.882 32 1HA GLY 5 1HA GLY 5 1.373 -7.332 11.359 33 2HA GLY 5 2HA GLY 5 1.912 -6.289 10.058 34 H LEU 6 H LEU 6 2.233 -4.801 13.168 35 HA LEU 6 HA LEU 6 -0.295 -3.373 12.713 36 1HB LEU 6 1HB LEU 6 -0.110 -2.983 15.264 37 2HB LEU 6 2HB LEU 6 -0.776 -4.480 14.641 38 HG LEU 6 HG LEU 6 2.102 -4.177 15.532 39 1HD1 LEU 6 1HD1 LEU 6 0.521 -3.733 17.391 40 2HD1 LEU 6 2HD1 LEU 6 -0.202 -5.337 17.120 41 3HD1 LEU 6 3HD1 LEU 6 1.498 -5.202 17.628 42 1HD2 LEU 6 1HD2 LEU 6 0.669 -6.249 14.154 43 2HD2 LEU 6 2HD2 LEU 6 2.385 -6.178 14.621 44 3HD2 LEU 6 3HD2 LEU 6 1.180 -6.838 15.753 45 H SER 7 H SER 7 1.588 -2.355 11.220 46 HA SER 7 HA SER 7 2.070 0.135 12.396 47 1HB SER 7 1HB SER 7 4.441 0.173 12.615 48 2HB SER 7 2HB SER 7 3.935 -1.299 13.420 49 HG SER 7 HG SER 7 4.781 -2.543 11.815 50 H ALA 8 H ALA 8 4.535 0.549 10.620 51 HA ALA 8 HA ALA 8 3.111 0.423 8.050 52 1HB ALA 8 1HB ALA 8 5.249 2.390 8.179 53 2HB ALA 8 2HB ALA 8 3.522 2.620 7.811 54 3HB ALA 8 3HB ALA 8 4.082 2.639 9.500 55 H ASN 9 H ASN 9 5.007 -1.526 9.535 56 HA ASN 9 HA ASN 9 7.491 -1.465 8.425 57 1HB ASN 9 1HB ASN 9 5.759 -3.427 9.755 58 2HB ASN 9 2HB ASN 9 6.719 -4.213 8.516 59 2HD2 ASN 9 2HD2 ASN 9 8.734 -4.741 8.941 60 1HD2 ASN 9 1HD2 ASN 9 9.688 -4.202 10.282 61 H GLN 10 H GLN 10 4.514 -3.254 7.303 62 HA GLN 10 HA GLN 10 5.685 -4.207 4.973 63 1HB GLN 10 1HB GLN 10 3.256 -4.563 4.262 64 2HB GLN 10 2HB GLN 10 3.719 -5.299 5.783 65 1HG GLN 10 1HG GLN 10 2.872 -2.667 6.455 66 2HG GLN 10 2HG GLN 10 1.710 -3.237 5.272 67 2HE2 GLN 10 2HE2 GLN 10 2.724 -3.317 8.480 68 1HE2 GLN 10 1HE2 GLN 10 1.710 -4.583 9.088 69 H CYS 11 H CYS 11 4.174 -1.115 5.830 70 HA CYS 11 HA CYS 11 4.472 -0.292 3.032 71 1HB CYS 11 1HB CYS 11 2.802 1.336 4.864 72 2HB CYS 11 2HB CYS 11 2.619 1.012 3.151 73 H ALA 12 H ALA 12 6.788 -0.412 4.511 74 HA ALA 12 HA ALA 12 7.173 2.348 5.450 75 1HB ALA 12 1HB ALA 12 9.329 0.739 6.295 76 2HB ALA 12 2HB ALA 12 7.993 1.357 7.295 77 3HB ALA 12 3HB ALA 12 7.874 -0.254 6.548 78 H VAL 13 H VAL 13 7.093 1.942 2.698 79 HA VAL 13 HA VAL 13 9.807 1.481 1.810 80 HB VAL 13 HB VAL 13 7.742 2.514 -0.038 81 1HG1 VAL 13 1HG1 VAL 13 10.038 0.649 -0.036 82 2HG1 VAL 13 2HG1 VAL 13 8.669 0.165 -1.065 83 3HG1 VAL 13 3HG1 VAL 13 9.449 1.747 -1.306 84 1HG2 VAL 13 1HG2 VAL 13 7.363 0.007 1.582 85 2HG2 VAL 13 2HG2 VAL 13 6.171 1.236 1.097 86 3HG2 VAL 13 3HG2 VAL 13 6.793 0.077 -0.103 87 HA PRO 14 HA PRO 14 10.882 5.668 1.825 88 1HB PRO 14 1HB PRO 14 12.944 5.679 0.032 89 2HB PRO 14 2HB PRO 14 13.125 5.164 1.697 90 1HG PRO 14 1HG PRO 14 13.000 3.511 -0.751 91 2HG PRO 14 2HG PRO 14 13.595 3.075 0.839 92 1HD PRO 14 1HD PRO 14 11.080 2.324 -0.318 93 2HD PRO 14 2HD PRO 14 11.626 1.987 1.313 94 H ALA 15 H ALA 15 9.199 4.289 -0.571 95 HA ALA 15 HA ALA 15 7.743 5.355 -1.934 96 1HB ALA 15 1HB ALA 15 9.338 7.878 -2.135 97 2HB ALA 15 2HB ALA 15 7.577 7.644 -2.024 98 3HB ALA 15 3HB ALA 15 8.585 7.515 -0.563 99 H LYS 16 H LYS 16 11.252 5.341 -2.201 100 HA LYS 16 HA LYS 16 11.115 5.507 -5.099 101 1HB LYS 16 1HB LYS 16 13.534 5.602 -5.008 102 2HB LYS 16 2HB LYS 16 12.846 6.778 -3.906 103 1HG LYS 16 1HG LYS 16 14.376 5.840 -2.452 104 2HG LYS 16 2HG LYS 16 13.059 4.720 -2.167 105 1HD LYS 16 1HD LYS 16 14.369 3.016 -2.881 106 2HD LYS 16 2HD LYS 16 14.431 3.743 -4.474 107 1HE LYS 16 1HE LYS 16 16.604 4.337 -4.185 108 2HE LYS 16 2HE LYS 16 16.222 5.200 -2.709 109 1HZ LYS 16 1HZ LYS 16 16.114 2.432 -2.268 110 2HZ LYS 16 2HZ LYS 16 17.557 2.827 -2.925 111 3HZ LYS 16 3HZ LYS 16 17.062 3.549 -1.546 112 H ASP 17 H ASP 17 10.069 3.237 -3.189 113 HA ASP 17 HA ASP 17 11.266 1.151 -4.813 114 1HB ASP 17 1HB ASP 17 11.603 1.482 -1.972 115 2HB ASP 17 2HB ASP 17 10.558 0.095 -2.209 116 H ARG 18 H ARG 18 8.642 2.855 -4.492 117 HA ARG 18 HA ARG 18 6.720 1.005 -3.589 118 1HB ARG 18 1HB ARG 18 6.235 3.443 -5.365 119 2HB ARG 18 2HB ARG 18 5.086 2.684 -4.281 120 1HG ARG 18 1HG ARG 18 7.679 4.021 -3.374 121 2HG ARG 18 2HG ARG 18 6.109 4.799 -3.352 122 1HD ARG 18 1HD ARG 18 5.337 2.729 -1.926 123 2HD ARG 18 2HD ARG 18 7.048 2.427 -1.697 124 HE ARG 18 HE ARG 18 7.065 4.169 -0.154 125 1HH1 ARG 18 1HH1 ARG 18 4.466 4.754 -2.453 126 2HH1 ARG 18 2HH1 ARG 18 3.917 6.194 -1.660 127 1HH2 ARG 18 1HH2 ARG 18 6.342 6.067 0.891 128 2HH2 ARG 18 2HH2 ARG 18 4.992 6.946 0.255 129 H VAL 19 H VAL 19 5.809 -0.674 -4.744 130 HA VAL 19 HA VAL 19 6.536 -0.956 -7.517 131 HB VAL 19 HB VAL 19 4.910 -2.696 -5.652 132 1HG1 VAL 19 1HG1 VAL 19 5.937 -3.122 -8.463 133 2HG1 VAL 19 2HG1 VAL 19 5.581 -4.484 -7.373 134 3HG1 VAL 19 3HG1 VAL 19 4.289 -3.347 -7.827 135 1HG2 VAL 19 1HG2 VAL 19 7.718 -2.171 -5.764 136 2HG2 VAL 19 2HG2 VAL 19 6.840 -3.327 -4.734 137 3HG2 VAL 19 3HG2 VAL 19 7.439 -3.835 -6.331 138 H ASP 20 H ASP 20 4.089 0.630 -5.769 139 HA ASP 20 HA ASP 20 2.181 1.510 -6.300 140 1HB ASP 20 1HB ASP 20 3.196 2.575 -8.181 141 2HB ASP 20 2HB ASP 20 3.339 1.072 -9.070 142 H CYS 21 H CYS 21 0.405 0.238 -5.722 143 HA CYS 21 HA CYS 21 0.034 -2.334 -6.866 144 1HB CYS 21 1HB CYS 21 -0.756 -1.049 -4.534 145 2HB CYS 21 2HB CYS 21 -2.254 -1.236 -5.424 146 H GLY 22 H GLY 22 -0.603 0.866 -7.870 147 1HA GLY 22 1HA GLY 22 -1.884 0.188 -10.225 148 2HA GLY 22 2HA GLY 22 -1.869 1.777 -9.487 149 H TYR 23 H TYR 23 -3.600 2.416 -8.025 150 HA TYR 23 HA TYR 23 -6.077 1.071 -8.684 151 1HB TYR 23 1HB TYR 23 -4.662 0.372 -6.382 152 2HB TYR 23 2HB TYR 23 -5.596 1.726 -5.775 153 HD1 TYR 23 HD1 TYR 23 -6.624 -0.842 -8.293 154 HD2 TYR 23 HD2 TYR 23 -7.166 0.720 -4.347 155 HE1 TYR 23 HE1 TYR 23 -8.628 -2.370 -7.956 156 HE2 TYR 23 HE2 TYR 23 -9.168 -0.814 -4.024 157 HH TYR 23 HH TYR 23 -9.983 -3.245 -6.425 158 HA PRO 24 HA PRO 24 -7.398 5.188 -8.461 159 1HB PRO 24 1HB PRO 24 -10.108 4.843 -8.473 160 2HB PRO 24 2HB PRO 24 -9.128 4.783 -9.925 161 1HG PRO 24 1HG PRO 24 -10.368 2.552 -8.433 162 2HG PRO 24 2HG PRO 24 -9.762 2.571 -10.077 163 1HD PRO 24 1HD PRO 24 -8.475 1.421 -7.786 164 2HD PRO 24 2HD PRO 24 -7.818 1.542 -9.407 165 H HIS 25 H HIS 25 -10.088 3.870 -6.681 166 HA HIS 25 HA HIS 25 -9.907 5.832 -4.732 167 1HB HIS 25 1HB HIS 25 -11.470 4.310 -3.457 168 2HB HIS 25 2HB HIS 25 -11.986 4.788 -5.062 169 HD1 HIS 25 HD1 HIS 25 -13.539 2.661 -5.156 170 HD2 HIS 25 HD2 HIS 25 -9.435 1.836 -4.890 171 HE1 HIS 25 HE1 HIS 25 -13.268 0.190 -5.731 172 HE2 HIS 25 HE2 HIS 25 -10.720 -0.245 -5.604 173 H VAL 26 H VAL 26 -7.680 5.940 -4.058 174 HA VAL 26 HA VAL 26 -6.884 3.666 -2.375 175 HB VAL 26 HB VAL 26 -4.581 4.467 -2.732 176 1HG1 VAL 26 1HG1 VAL 26 -6.329 3.559 -4.988 177 2HG1 VAL 26 2HG1 VAL 26 -4.638 3.987 -5.341 178 3HG1 VAL 26 3HG1 VAL 26 -5.004 2.712 -4.154 179 1HG2 VAL 26 1HG2 VAL 26 -5.877 6.416 -4.667 180 2HG2 VAL 26 2HG2 VAL 26 -4.997 6.820 -3.174 181 3HG2 VAL 26 3HG2 VAL 26 -4.130 6.096 -4.550 182 H THR 27 H THR 27 -7.097 4.031 -0.234 183 HA THR 27 HA THR 27 -6.485 6.716 0.754 184 HB THR 27 HB THR 27 -8.591 6.991 1.772 185 HG1 THR 27 HG1 THR 27 -9.517 5.175 2.685 186 1HG2 THR 27 1HG2 THR 27 -9.276 5.107 -0.547 187 2HG2 THR 27 2HG2 THR 27 -10.398 6.240 0.244 188 3HG2 THR 27 3HG2 THR 27 -9.028 6.862 -0.708 189 HA PRO 28 HA PRO 28 -4.676 4.639 4.051 190 1HB PRO 28 1HB PRO 28 -5.363 6.039 6.295 191 2HB PRO 28 2HB PRO 28 -4.131 6.576 5.170 192 1HG PRO 28 1HG PRO 28 -6.884 7.592 5.527 193 2HG PRO 28 2HG PRO 28 -5.523 8.363 4.737 194 1HD PRO 28 1HD PRO 28 -7.753 7.088 3.460 195 2HD PRO 28 2HD PRO 28 -6.336 7.756 2.674 196 H LYS 29 H LYS 29 -7.117 3.457 3.182 197 HA LYS 29 HA LYS 29 -7.411 1.613 5.255 198 1HB LYS 29 1HB LYS 29 -8.632 3.763 6.140 199 2HB LYS 29 2HB LYS 29 -9.906 3.275 5.041 200 1HG LYS 29 1HG LYS 29 -8.738 1.151 6.828 201 2HG LYS 29 2HG LYS 29 -9.765 2.356 7.579 202 1HD LYS 29 1HD LYS 29 -11.673 1.673 6.413 203 2HD LYS 29 2HD LYS 29 -10.761 1.101 5.030 204 1HE LYS 29 1HE LYS 29 -10.787 -1.012 5.852 205 2HE LYS 29 2HE LYS 29 -9.965 -0.482 7.306 206 1HZ LYS 29 1HZ LYS 29 -12.249 0.302 8.019 207 2HZ LYS 29 2HZ LYS 29 -12.842 -0.637 6.821 208 3HZ LYS 29 3HZ LYS 29 -11.975 -1.308 8.031 209 H GLU 30 H GLU 30 -8.784 3.294 2.402 210 HA GLU 30 HA GLU 30 -10.207 0.965 1.601 211 1HB GLU 30 1HB GLU 30 -10.486 3.634 1.067 212 2HB GLU 30 2HB GLU 30 -9.653 3.123 -0.388 213 1HG GLU 30 1HG GLU 30 -11.810 2.656 -1.071 214 2HG GLU 30 2HG GLU 30 -11.466 1.127 -0.288 215 H CYS 31 H CYS 31 -7.068 2.526 0.903 216 HA CYS 31 HA CYS 31 -6.527 0.835 -1.327 217 1HB CYS 31 1HB CYS 31 -5.433 2.835 -1.531 218 2HB CYS 31 2HB CYS 31 -5.067 2.952 0.179 219 H ASN 32 H ASN 32 -6.203 0.765 2.188 220 HA ASN 32 HA ASN 32 -4.329 -1.425 2.032 221 1HB ASN 32 1HB ASN 32 -3.782 -0.895 4.219 222 2HB ASN 32 2HB ASN 32 -4.538 0.636 3.823 223 2HD2 ASN 32 2HD2 ASN 32 -4.296 -1.234 6.262 224 1HD2 ASN 32 1HD2 ASN 32 -5.893 -1.287 6.929 225 H ASN 33 H ASN 33 -7.578 -1.042 1.607 226 HA ASN 33 HA ASN 33 -8.366 -3.234 3.322 227 1HB ASN 33 1HB ASN 33 -9.963 -1.445 3.386 228 2HB ASN 33 2HB ASN 33 -9.861 -1.170 1.659 229 2HD2 ASN 33 2HD2 ASN 33 -12.082 -1.316 1.435 230 1HD2 ASN 33 1HD2 ASN 33 -12.943 -2.818 1.478 231 H ARG 34 H ARG 34 -8.246 -2.139 -0.130 232 HA ARG 34 HA ARG 34 -9.460 -4.279 -1.283 233 1HB ARG 34 1HB ARG 34 -8.391 -2.014 -2.248 234 2HB ARG 34 2HB ARG 34 -7.026 -3.054 -2.604 235 1HG ARG 34 1HG ARG 34 -9.832 -3.156 -3.721 236 2HG ARG 34 2HG ARG 34 -8.303 -3.218 -4.576 237 1HD ARG 34 1HD ARG 34 -7.877 -5.508 -3.666 238 2HD ARG 34 2HD ARG 34 -9.392 -5.447 -2.787 239 HE ARG 34 HE ARG 34 -10.131 -4.902 -5.414 240 1HH1 ARG 34 1HH1 ARG 34 -8.385 -7.512 -3.827 241 2HH1 ARG 34 2HH1 ARG 34 -8.881 -8.713 -4.972 242 1HH2 ARG 34 1HH2 ARG 34 -10.787 -6.485 -6.926 243 2HH2 ARG 34 2HH2 ARG 34 -10.257 -8.125 -6.747 244 H GLY 35 H GLY 35 -6.134 -3.899 -0.029 245 1HA GLY 35 1HA GLY 35 -5.554 -6.688 -0.830 246 2HA GLY 35 2HA GLY 35 -5.213 -6.063 0.771 247 H CYS 36 H CYS 36 -3.827 -3.936 0.798 248 HA CYS 36 HA CYS 36 -1.401 -4.532 -0.423 249 1HB CYS 36 1HB CYS 36 -3.117 -3.281 -2.225 250 2HB CYS 36 2HB CYS 36 -2.106 -1.978 -1.633 251 H CYS 37 H CYS 37 -0.547 -1.667 -0.591 252 HA CYS 37 HA CYS 37 -0.993 -0.917 2.207 253 1HB CYS 37 1HB CYS 37 1.545 -1.168 0.654 254 2HB CYS 37 2HB CYS 37 1.419 0.128 1.827 255 H PHE 38 H PHE 38 -1.043 1.418 2.588 256 HA PHE 38 HA PHE 38 -1.448 2.940 0.109 257 1HB PHE 38 1HB PHE 38 -3.547 2.585 1.372 258 2HB PHE 38 2HB PHE 38 -2.759 2.980 2.886 259 HD1 PHE 38 HD1 PHE 38 -3.941 4.409 -0.311 260 HD2 PHE 38 HD2 PHE 38 -2.601 5.223 3.632 261 HE1 PHE 38 HE1 PHE 38 -4.660 6.801 -0.561 262 HE2 PHE 38 HE2 PHE 38 -3.321 7.615 3.382 263 HZ PHE 38 HZ PHE 38 -4.341 8.375 1.289 264 H ASP 39 H ASP 39 -1.325 5.455 0.673 265 HA ASP 39 HA ASP 39 0.306 6.224 2.779 266 1HB ASP 39 1HB ASP 39 2.172 5.171 1.703 267 2HB ASP 39 2HB ASP 39 1.659 5.697 0.111 268 H SER 40 H SER 40 0.526 8.592 2.759 269 HA SER 40 HA SER 40 -0.545 9.882 0.391 270 1HB SER 40 1HB SER 40 -2.013 11.316 1.756 271 2HB SER 40 2HB SER 40 -2.436 9.629 1.965 272 HG SER 40 HG SER 40 -1.103 11.399 3.790 273 H ARG 41 H ARG 41 2.094 9.462 2.106 274 HA ARG 41 HA ARG 41 2.753 11.879 3.225 275 1HB ARG 41 1HB ARG 41 3.979 9.462 3.046 276 2HB ARG 41 2HB ARG 41 4.894 10.298 1.806 277 1HG ARG 41 1HG ARG 41 4.545 11.895 4.283 278 2HG ARG 41 2HG ARG 41 5.417 10.397 4.542 279 1HD ARG 41 1HD ARG 41 7.035 10.979 2.764 280 2HD ARG 41 2HD ARG 41 6.122 12.419 2.360 281 HE ARG 41 HE ARG 41 7.047 13.509 4.220 282 1HH1 ARG 41 1HH1 ARG 41 7.566 10.042 4.525 283 2HH1 ARG 41 2HH1 ARG 41 8.609 10.190 5.900 284 1HH2 ARG 41 1HH2 ARG 41 8.422 13.704 6.034 285 2HH2 ARG 41 2HH2 ARG 41 9.099 12.287 6.764 286 H ILE 42 H ILE 42 3.389 10.575 -0.109 287 HA ILE 42 HA ILE 42 3.467 13.320 -1.071 288 HB ILE 42 HB ILE 42 5.496 12.206 -2.515 289 1HG1 ILE 42 1HG1 ILE 42 7.092 11.265 -0.867 290 2HG1 ILE 42 2HG1 ILE 42 5.829 11.258 0.347 291 1HG2 ILE 42 1HG2 ILE 42 5.132 14.469 -1.199 292 2HG2 ILE 42 2HG2 ILE 42 6.191 13.676 -0.008 293 3HG2 ILE 42 3HG2 ILE 42 6.756 13.920 -1.678 294 1HD1 ILE 42 1HD1 ILE 42 5.003 9.972 -2.190 295 2HD1 ILE 42 2HD1 ILE 42 6.377 9.170 -1.392 296 3HD1 ILE 42 3HD1 ILE 42 4.844 9.390 -0.515 297 HA PRO 43 HA PRO 43 1.072 11.370 -4.106 298 1HB PRO 43 1HB PRO 43 0.774 13.468 -5.831 299 2HB PRO 43 2HB PRO 43 -0.210 13.260 -4.396 300 1HG PRO 43 1HG PRO 43 2.010 15.155 -4.860 301 2HG PRO 43 2HG PRO 43 0.759 15.208 -3.634 302 1HD PRO 43 1HD PRO 43 3.490 14.413 -3.266 303 2HD PRO 43 2HD PRO 43 2.212 14.356 -2.069 304 H GLY 44 H GLY 44 3.953 13.108 -5.047 305 1HA GLY 44 1HA GLY 44 5.633 12.368 -6.386 306 2HA GLY 44 2HA GLY 44 4.366 12.437 -7.594 307 H VAL 45 H VAL 45 4.865 10.188 -4.784 308 HA VAL 45 HA VAL 45 5.428 8.028 -6.625 309 HB VAL 45 HB VAL 45 6.265 6.912 -4.825 310 1HG1 VAL 45 1HG1 VAL 45 7.082 9.464 -5.057 311 2HG1 VAL 45 2HG1 VAL 45 6.512 9.499 -3.371 312 3HG1 VAL 45 3HG1 VAL 45 7.763 8.332 -3.863 313 1HG2 VAL 45 1HG2 VAL 45 4.267 8.394 -3.090 314 2HG2 VAL 45 2HG2 VAL 45 4.272 6.666 -3.519 315 3HG2 VAL 45 3HG2 VAL 45 5.534 7.321 -2.448 316 HA PRO 46 HA PRO 46 1.497 6.234 -6.457 317 1HB PRO 46 1HB PRO 46 1.937 3.552 -6.163 318 2HB PRO 46 2HB PRO 46 2.130 4.393 -7.688 319 1HG PRO 46 1HG PRO 46 4.215 3.403 -5.840 320 2HG PRO 46 2HG PRO 46 4.366 3.850 -7.528 321 1HD PRO 46 1HD PRO 46 5.197 5.399 -5.261 322 2HD PRO 46 2HD PRO 46 5.241 5.894 -6.941 323 H TRP 47 H TRP 47 0.625 7.320 -4.667 324 HA TRP 47 HA TRP 47 0.932 6.955 -2.108 325 1HB TRP 47 1HB TRP 47 -1.531 7.238 -3.748 326 2HB TRP 47 2HB TRP 47 -1.742 6.834 -2.056 327 HD1 TRP 47 HD1 TRP 47 1.150 9.171 -3.050 328 HE1 TRP 47 HE1 TRP 47 0.761 11.619 -2.145 329 HE3 TRP 47 HE3 TRP 47 -3.608 8.383 -1.438 330 HZ2 TRP 47 HZ2 TRP 47 -1.443 12.922 -0.885 331 HZ3 TRP 47 HZ3 TRP 47 -4.808 10.296 -0.381 332 HH2 TRP 47 HH2 TRP 47 -3.801 12.504 -0.094 333 H CYS 48 H CYS 48 -1.106 4.676 -4.091 334 HA CYS 48 HA CYS 48 -0.973 2.763 -1.929 335 1HB CYS 48 1HB CYS 48 -3.055 3.329 -3.334 336 2HB CYS 48 2HB CYS 48 -2.321 2.353 -4.591 337 H PHE 49 H PHE 49 0.635 1.230 -1.861 338 HA PHE 49 HA PHE 49 1.704 0.271 -4.392 339 1HB PHE 49 1HB PHE 49 4.029 0.511 -3.223 340 2HB PHE 49 2HB PHE 49 3.297 2.001 -3.783 341 HD1 PHE 49 HD1 PHE 49 3.581 -0.127 -0.739 342 HD2 PHE 49 HD2 PHE 49 3.032 3.777 -2.308 343 HE1 PHE 49 HE1 PHE 49 3.751 0.827 1.576 344 HE2 PHE 49 HE2 PHE 49 3.202 4.731 0.008 345 HZ PHE 49 HZ PHE 49 3.559 3.244 1.922 346 H LYS 50 H LYS 50 3.176 -1.697 -4.002 347 HA LYS 50 HA LYS 50 1.770 -3.489 -2.318 348 1HB LYS 50 1HB LYS 50 4.418 -3.951 -3.712 349 2HB LYS 50 2HB LYS 50 3.259 -5.157 -3.190 350 1HG LYS 50 1HG LYS 50 1.559 -4.135 -4.773 351 2HG LYS 50 2HG LYS 50 2.804 -3.045 -5.350 352 1HD LYS 50 1HD LYS 50 3.081 -4.727 -6.914 353 2HD LYS 50 2HD LYS 50 4.168 -5.343 -5.686 354 1HE LYS 50 1HE LYS 50 2.628 -6.982 -4.944 355 2HE LYS 50 2HE LYS 50 1.241 -6.112 -5.570 356 1HZ LYS 50 1HZ LYS 50 2.998 -6.730 -7.660 357 2HZ LYS 50 2HZ LYS 50 2.656 -8.092 -6.826 358 3HZ LYS 50 3HZ LYS 50 1.446 -7.196 -7.458 359 HA PRO 51 HA PRO 51 4.151 -3.309 1.278 360 1HB PRO 51 1HB PRO 51 4.295 -5.903 2.126 361 2HB PRO 51 2HB PRO 51 2.874 -4.900 2.345 362 1HG PRO 51 1HG PRO 51 3.314 -7.094 0.413 363 2HG PRO 51 2HG PRO 51 1.802 -6.379 0.936 364 1HD PRO 51 1HD PRO 51 3.149 -5.916 -1.553 365 2HD PRO 51 2HD PRO 51 1.700 -5.114 -0.981 366 H LEU 52 H LEU 52 6.194 -2.796 1.746 367 HA LEU 52 HA LEU 52 8.239 -3.189 0.113 368 1HB LEU 52 1HB LEU 52 8.604 -1.817 1.933 369 2HB LEU 52 2HB LEU 52 8.087 -3.023 3.095 370 HG LEU 52 HG LEU 52 10.601 -3.431 1.486 371 1HD1 LEU 52 1HD1 LEU 52 10.134 -1.362 3.488 372 2HD1 LEU 52 2HD1 LEU 52 11.454 -2.468 3.939 373 3HD1 LEU 52 3HD1 LEU 52 11.508 -1.606 2.383 374 1HD2 LEU 52 1HD2 LEU 52 9.420 -4.557 4.006 375 2HD2 LEU 52 2HD2 LEU 52 10.109 -5.395 2.594 376 3HD2 LEU 52 3HD2 LEU 52 11.182 -4.578 3.756 377 H GLN 53 H GLN 53 9.692 -4.762 -0.525 378 HA GLN 53 HA GLN 53 8.863 -7.385 -0.308 379 1HB GLN 53 1HB GLN 53 11.127 -5.906 -1.480 380 2HB GLN 53 2HB GLN 53 11.583 -7.516 -0.958 381 1HG GLN 53 1HG GLN 53 10.701 -8.250 -2.923 382 2HG GLN 53 2HG GLN 53 9.131 -7.982 -2.194 383 2HE2 GLN 53 2HE2 GLN 53 8.801 -5.354 -2.077 384 1HE2 GLN 53 1HE2 GLN 53 8.833 -4.607 -3.640 385 H GLU 54 H GLU 54 8.539 -7.776 1.993 386 HA GLU 54 HA GLU 54 10.519 -7.431 3.873 387 1HB GLU 54 1HB GLU 54 9.181 -8.985 5.267 388 2HB GLU 54 2HB GLU 54 8.161 -7.817 4.451 389 1HG GLU 54 1HG GLU 54 6.979 -9.516 3.531 390 2HG GLU 54 2HG GLU 54 8.409 -10.018 2.651 391 H ALA 55 H ALA 55 12.583 -8.204 3.470 392 HA ALA 55 HA ALA 55 12.824 -11.104 3.338 393 1HB ALA 55 1HB ALA 55 13.792 -11.177 1.290 394 2HB ALA 55 2HB ALA 55 13.007 -9.600 1.032 395 3HB ALA 55 3HB ALA 55 14.704 -9.673 1.565 396 H GLU 56 H GLU 56 13.756 -11.346 5.341 397 HA GLU 56 HA GLU 56 16.281 -9.955 5.666 398 1HB GLU 56 1HB GLU 56 14.040 -10.085 7.723 399 2HB GLU 56 2HB GLU 56 15.695 -9.706 8.157 400 1HG GLU 56 1HG GLU 56 15.367 -7.961 6.077 401 2HG GLU 56 2HG GLU 56 13.707 -8.066 6.627 402 H CYS 57 H CYS 57 14.061 -12.389 7.220 403 HA CYS 57 HA CYS 57 16.310 -14.247 7.180 404 1HB CYS 57 1HB CYS 57 14.563 -13.680 9.584 405 2HB CYS 57 2HB CYS 57 15.646 -15.051 9.445 406 H THR 58 H THR 58 15.624 -16.467 6.922 407 HA THR 58 HA THR 58 14.307 -18.106 6.200 408 HB THR 58 HB THR 58 12.229 -16.468 7.742 409 HG1 THR 58 HG1 THR 58 13.517 -17.419 9.278 410 1HG2 THR 58 1HG2 THR 58 11.201 -18.150 6.092 411 2HG2 THR 58 2HG2 THR 58 12.115 -19.419 6.942 412 3HG2 THR 58 3HG2 THR 58 10.868 -18.488 7.808 413 H PHE 59 H PHE 59 12.642 -18.726 4.600 414 HA PHE 59 HA PHE 59 11.811 -18.503 2.569 415 1HB PHE 59 1HB PHE 59 10.301 -17.002 4.139 416 2HB PHE 59 2HB PHE 59 11.125 -15.635 3.416 417 HD1 PHE 59 HD1 PHE 59 11.242 -15.994 0.659 418 HD2 PHE 59 HD2 PHE 59 8.201 -17.358 3.286 419 HE1 PHE 59 HE1 PHE 59 9.606 -16.015 -1.245 420 HE2 PHE 59 HE2 PHE 59 6.566 -17.379 1.383 421 HZ PHE 59 HZ PHE 59 7.288 -16.708 -0.860 No H/Q in entry = 421 Start of MODEL 68 1 H GLU 1 H GLU 1 7.049 -17.439 20.286 2 HA GLU 1 HA GLU 1 7.787 -15.333 20.109 3 1HB GLU 1 1HB GLU 1 10.277 -16.685 19.646 4 2HB GLU 1 2HB GLU 1 10.089 -15.500 18.369 5 1HG GLU 1 1HG GLU 1 9.478 -14.669 21.212 6 2HG GLU 1 2HG GLU 1 11.155 -14.824 20.727 7 H GLU 2 H GLU 2 7.890 -13.713 18.212 8 HA GLU 2 HA GLU 2 7.611 -14.642 15.610 9 1HB GLU 2 1HB GLU 2 5.351 -15.310 16.910 10 2HB GLU 2 2HB GLU 2 4.933 -13.646 16.554 11 1HG GLU 2 1HG GLU 2 4.132 -14.779 14.650 12 2HG GLU 2 2HG GLU 2 5.690 -14.193 14.103 13 H TYR 3 H TYR 3 7.123 -12.830 14.083 14 HA TYR 3 HA TYR 3 7.074 -10.198 15.339 15 1HB TYR 3 1HB TYR 3 9.474 -11.206 14.842 16 2HB TYR 3 2HB TYR 3 9.049 -11.063 13.149 17 HD1 TYR 3 HD1 TYR 3 9.254 -9.002 16.272 18 HD2 TYR 3 HD2 TYR 3 9.537 -9.087 12.004 19 HE1 TYR 3 HE1 TYR 3 10.048 -6.587 16.269 20 HE2 TYR 3 HE2 TYR 3 10.331 -6.672 12.016 21 HH TYR 3 HH TYR 3 10.922 -4.984 15.068 22 H VAL 4 H VAL 4 5.778 -8.797 14.230 23 HA VAL 4 HA VAL 4 5.472 -9.074 11.389 24 HB VAL 4 HB VAL 4 3.210 -9.696 13.291 25 1HG1 VAL 4 1HG1 VAL 4 2.472 -8.090 11.553 26 2HG1 VAL 4 2HG1 VAL 4 3.038 -9.216 10.296 27 3HG1 VAL 4 3HG1 VAL 4 1.705 -9.686 11.378 28 1HG2 VAL 4 1HG2 VAL 4 4.661 -11.244 11.140 29 2HG2 VAL 4 2HG2 VAL 4 4.372 -11.688 12.840 30 3HG2 VAL 4 3HG2 VAL 4 3.025 -11.696 11.676 31 H GLY 5 H GLY 5 5.260 -7.057 10.537 32 1HA GLY 5 1HA GLY 5 5.678 -4.737 11.199 33 2HA GLY 5 2HA GLY 5 4.412 -4.916 12.397 34 H LEU 6 H LEU 6 2.225 -4.723 11.810 35 HA LEU 6 HA LEU 6 1.740 -4.301 8.946 36 1HB LEU 6 1HB LEU 6 -0.621 -4.820 9.504 37 2HB LEU 6 2HB LEU 6 0.497 -6.155 9.695 38 HG LEU 6 HG LEU 6 0.046 -4.603 12.162 39 1HD1 LEU 6 1HD1 LEU 6 -2.210 -4.689 10.822 40 2HD1 LEU 6 2HD1 LEU 6 -2.233 -6.381 11.374 41 3HD1 LEU 6 3HD1 LEU 6 -2.171 -5.058 12.563 42 1HD2 LEU 6 1HD2 LEU 6 0.433 -7.429 11.314 43 2HD2 LEU 6 2HD2 LEU 6 1.182 -6.508 12.641 44 3HD2 LEU 6 3HD2 LEU 6 -0.472 -7.141 12.820 45 H SER 7 H SER 7 2.572 -2.105 9.077 46 HA SER 7 HA SER 7 0.596 -0.252 9.380 47 1HB SER 7 1HB SER 7 1.408 1.004 11.423 48 2HB SER 7 2HB SER 7 0.627 -0.525 11.775 49 HG SER 7 HG SER 7 2.415 -1.120 12.771 50 H ALA 8 H ALA 8 4.059 -1.098 9.567 51 HA ALA 8 HA ALA 8 4.614 1.103 7.740 52 1HB ALA 8 1HB ALA 8 5.545 2.311 9.404 53 2HB ALA 8 2HB ALA 8 5.455 0.949 10.547 54 3HB ALA 8 3HB ALA 8 6.833 1.083 9.428 55 H ASN 9 H ASN 9 6.301 -1.487 9.666 56 HA ASN 9 HA ASN 9 8.280 -2.116 8.095 57 1HB ASN 9 1HB ASN 9 7.562 -3.391 10.157 58 2HB ASN 9 2HB ASN 9 6.326 -4.197 9.212 59 2HD2 ASN 9 2HD2 ASN 9 9.238 -4.608 10.520 60 1HD2 ASN 9 1HD2 ASN 9 9.971 -5.749 9.442 61 H GLN 10 H GLN 10 4.819 -2.656 7.409 62 HA GLN 10 HA GLN 10 5.426 -4.243 5.090 63 1HB GLN 10 1HB GLN 10 3.425 -4.591 6.703 64 2HB GLN 10 2HB GLN 10 2.693 -3.203 5.924 65 1HG GLN 10 1HG GLN 10 2.074 -4.447 4.130 66 2HG GLN 10 2HG GLN 10 3.714 -5.014 3.888 67 2HE2 GLN 10 2HE2 GLN 10 0.660 -5.576 5.490 68 1HE2 GLN 10 1HE2 GLN 10 0.896 -7.242 5.898 69 H CYS 11 H CYS 11 3.963 -1.031 5.913 70 HA CYS 11 HA CYS 11 4.323 -0.305 3.099 71 1HB CYS 11 1HB CYS 11 2.629 1.335 4.924 72 2HB CYS 11 2HB CYS 11 2.499 1.077 3.196 73 H ALA 12 H ALA 12 6.630 -0.372 4.624 74 HA ALA 12 HA ALA 12 7.020 2.437 5.400 75 1HB ALA 12 1HB ALA 12 9.028 1.366 6.663 76 2HB ALA 12 2HB ALA 12 7.394 1.145 7.333 77 3HB ALA 12 3HB ALA 12 8.166 -0.172 6.418 78 H VAL 13 H VAL 13 7.020 2.077 2.723 79 HA VAL 13 HA VAL 13 9.734 1.438 1.904 80 HB VAL 13 HB VAL 13 7.781 2.439 -0.061 81 1HG1 VAL 13 1HG1 VAL 13 9.995 0.522 0.136 82 2HG1 VAL 13 2HG1 VAL 13 8.619 -0.082 -0.818 83 3HG1 VAL 13 3HG1 VAL 13 9.404 1.453 -1.261 84 1HG2 VAL 13 1HG2 VAL 13 7.185 0.068 1.696 85 2HG2 VAL 13 2HG2 VAL 13 6.093 1.342 1.100 86 3HG2 VAL 13 3HG2 VAL 13 6.671 0.075 -0.008 87 HA PRO 14 HA PRO 14 10.917 5.590 1.724 88 1HB PRO 14 1HB PRO 14 12.944 5.493 -0.107 89 2HB PRO 14 2HB PRO 14 13.144 5.025 1.570 90 1HG PRO 14 1HG PRO 14 12.932 3.301 -0.822 91 2HG PRO 14 2HG PRO 14 13.546 2.899 0.769 92 1HD PRO 14 1HD PRO 14 10.991 2.178 -0.317 93 2HD PRO 14 2HD PRO 14 11.560 1.877 1.313 94 H ALA 15 H ALA 15 9.110 4.208 -0.553 95 HA ALA 15 HA ALA 15 7.685 5.230 -1.959 96 1HB ALA 15 1HB ALA 15 8.696 7.432 -0.640 97 2HB ALA 15 2HB ALA 15 7.448 7.484 -1.908 98 3HB ALA 15 3HB ALA 15 9.154 7.766 -2.328 99 H LYS 16 H LYS 16 11.203 5.296 -2.255 100 HA LYS 16 HA LYS 16 11.055 5.433 -5.146 101 1HB LYS 16 1HB LYS 16 13.478 5.493 -5.056 102 2HB LYS 16 2HB LYS 16 12.804 6.677 -3.954 103 1HG LYS 16 1HG LYS 16 14.382 5.697 -2.553 104 2HG LYS 16 2HG LYS 16 12.995 4.693 -2.178 105 1HD LYS 16 1HD LYS 16 13.754 2.935 -3.686 106 2HD LYS 16 2HD LYS 16 15.003 3.966 -4.356 107 1HE LYS 16 1HE LYS 16 15.481 3.985 -1.560 108 2HE LYS 16 2HE LYS 16 15.068 2.322 -1.929 109 1HZ LYS 16 1HZ LYS 16 16.741 3.176 -3.932 110 2HZ LYS 16 2HZ LYS 16 17.416 3.705 -2.542 111 3HZ LYS 16 3HZ LYS 16 17.088 2.117 -2.739 112 H ASP 17 H ASP 17 10.178 3.137 -3.045 113 HA ASP 17 HA ASP 17 11.280 1.053 -4.755 114 1HB ASP 17 1HB ASP 17 11.686 1.396 -1.942 115 2HB ASP 17 2HB ASP 17 10.574 0.053 -2.111 116 H ARG 18 H ARG 18 8.676 2.735 -4.537 117 HA ARG 18 HA ARG 18 6.739 0.934 -3.556 118 1HB ARG 18 1HB ARG 18 6.222 3.264 -5.456 119 2HB ARG 18 2HB ARG 18 5.124 2.595 -4.265 120 1HG ARG 18 1HG ARG 18 7.778 3.717 -3.338 121 2HG ARG 18 2HG ARG 18 6.487 4.828 -3.752 122 1HD ARG 18 1HD ARG 18 5.181 2.915 -2.169 123 2HD ARG 18 2HD ARG 18 6.750 3.054 -1.400 124 HE ARG 18 HE ARG 18 5.415 5.610 -2.070 125 1HH1 ARG 18 1HH1 ARG 18 6.126 3.192 0.385 126 2HH1 ARG 18 2HH1 ARG 18 5.777 4.250 1.711 127 1HH2 ARG 18 1HH2 ARG 18 4.954 7.007 -0.321 128 2HH2 ARG 18 2HH2 ARG 18 5.106 6.435 1.307 129 H VAL 19 H VAL 19 5.607 -0.660 -4.677 130 HA VAL 19 HA VAL 19 6.449 -1.149 -7.402 131 HB VAL 19 HB VAL 19 4.518 -2.774 -5.761 132 1HG1 VAL 19 1HG1 VAL 19 5.098 -3.149 -8.290 133 2HG1 VAL 19 2HG1 VAL 19 6.603 -3.846 -7.644 134 3HG1 VAL 19 3HG1 VAL 19 5.031 -4.537 -7.177 135 1HG2 VAL 19 1HG2 VAL 19 7.428 -2.359 -5.327 136 2HG2 VAL 19 2HG2 VAL 19 6.153 -2.853 -4.188 137 3HG2 VAL 19 3HG2 VAL 19 6.859 -4.045 -5.305 138 H ASP 20 H ASP 20 4.131 0.753 -5.885 139 HA ASP 20 HA ASP 20 2.246 1.654 -6.477 140 1HB ASP 20 1HB ASP 20 3.700 2.347 -8.424 141 2HB ASP 20 2HB ASP 20 3.122 0.958 -9.321 142 H CYS 21 H CYS 21 0.497 0.356 -5.815 143 HA CYS 21 HA CYS 21 0.005 -2.177 -6.943 144 1HB CYS 21 1HB CYS 21 -0.799 -0.794 -4.677 145 2HB CYS 21 2HB CYS 21 -2.276 -0.931 -5.610 146 H GLY 22 H GLY 22 -0.512 1.042 -8.015 147 1HA GLY 22 1HA GLY 22 -1.704 0.359 -10.417 148 2HA GLY 22 2HA GLY 22 -1.691 1.956 -9.696 149 H TYR 23 H TYR 23 -3.397 2.446 -8.000 150 HA TYR 23 HA TYR 23 -5.905 1.239 -8.867 151 1HB TYR 23 1HB TYR 23 -4.593 0.391 -6.581 152 2HB TYR 23 2HB TYR 23 -5.422 1.789 -5.924 153 HD1 TYR 23 HD1 TYR 23 -6.556 -0.726 -8.466 154 HD2 TYR 23 HD2 TYR 23 -7.148 0.976 -4.585 155 HE1 TYR 23 HE1 TYR 23 -8.669 -2.109 -8.173 156 HE2 TYR 23 HE2 TYR 23 -9.259 -0.413 -4.306 157 HH TYR 23 HH TYR 23 -10.975 -1.461 -6.116 158 HA PRO 24 HA PRO 24 -7.141 5.377 -8.554 159 1HB PRO 24 1HB PRO 24 -9.855 5.089 -8.692 160 2HB PRO 24 2HB PRO 24 -8.816 5.063 -10.103 161 1HG PRO 24 1HG PRO 24 -10.161 2.805 -8.750 162 2HG PRO 24 2HG PRO 24 -9.486 2.872 -10.366 163 1HD PRO 24 1HD PRO 24 -8.319 1.611 -8.069 164 2HD PRO 24 2HD PRO 24 -7.592 1.779 -9.654 165 H HIS 25 H HIS 25 -9.879 3.958 -6.903 166 HA HIS 25 HA HIS 25 -9.753 5.873 -4.880 167 1HB HIS 25 1HB HIS 25 -11.733 5.018 -4.271 168 2HB HIS 25 2HB HIS 25 -11.615 4.118 -5.769 169 HD1 HIS 25 HD1 HIS 25 -12.204 3.627 -2.253 170 HD2 HIS 25 HD2 HIS 25 -10.281 1.431 -5.266 171 HE1 HIS 25 HE1 HIS 25 -12.057 1.225 -1.404 172 HE2 HIS 25 HE2 HIS 25 -10.915 -0.087 -3.320 173 H VAL 26 H VAL 26 -7.798 6.028 -3.789 174 HA VAL 26 HA VAL 26 -7.070 3.630 -2.259 175 HB VAL 26 HB VAL 26 -4.706 4.426 -2.469 176 1HG1 VAL 26 1HG1 VAL 26 -6.340 3.341 -4.732 177 2HG1 VAL 26 2HG1 VAL 26 -4.633 3.747 -5.034 178 3HG1 VAL 26 3HG1 VAL 26 -5.057 2.567 -3.771 179 1HG2 VAL 26 1HG2 VAL 26 -5.902 6.688 -3.626 180 2HG2 VAL 26 2HG2 VAL 26 -4.164 6.323 -3.514 181 3HG2 VAL 26 3HG2 VAL 26 -5.081 5.854 -4.966 182 H THR 27 H THR 27 -7.141 3.952 -0.094 183 HA THR 27 HA THR 27 -6.641 6.658 0.901 184 HB THR 27 HB THR 27 -8.747 6.856 1.892 185 HG1 THR 27 HG1 THR 27 -9.608 5.027 2.894 186 1HG2 THR 27 1HG2 THR 27 -9.386 4.749 -0.240 187 2HG2 THR 27 2HG2 THR 27 -10.545 5.885 0.493 188 3HG2 THR 27 3HG2 THR 27 -9.245 6.495 -0.560 189 HA PRO 28 HA PRO 28 -4.649 4.656 4.138 190 1HB PRO 28 1HB PRO 28 -5.353 6.005 6.408 191 2HB PRO 28 2HB PRO 28 -4.177 6.611 5.259 192 1HG PRO 28 1HG PRO 28 -6.969 7.482 5.688 193 2HG PRO 28 2HG PRO 28 -5.669 8.327 4.872 194 1HD PRO 28 1HD PRO 28 -7.860 6.947 3.638 195 2HD PRO 28 2HD PRO 28 -6.499 7.692 2.824 196 H LYS 29 H LYS 29 -6.979 3.302 3.312 197 HA LYS 29 HA LYS 29 -7.150 1.456 5.383 198 1HB LYS 29 1HB LYS 29 -8.467 3.518 6.317 199 2HB LYS 29 2HB LYS 29 -9.733 2.989 5.228 200 1HG LYS 29 1HG LYS 29 -8.597 0.723 6.716 201 2HG LYS 29 2HG LYS 29 -9.184 1.965 7.805 202 1HD LYS 29 1HD LYS 29 -10.859 0.937 5.475 203 2HD LYS 29 2HD LYS 29 -10.886 0.165 7.048 204 1HE LYS 29 1HE LYS 29 -12.600 1.659 7.430 205 2HE LYS 29 2HE LYS 29 -11.279 2.729 7.854 206 1HZ LYS 29 1HZ LYS 29 -11.698 2.745 5.078 207 2HZ LYS 29 2HZ LYS 29 -13.097 3.085 5.850 208 3HZ LYS 29 3HZ LYS 29 -11.767 3.990 6.133 209 H GLU 30 H GLU 30 -8.921 3.077 2.683 210 HA GLU 30 HA GLU 30 -10.145 0.679 1.870 211 1HB GLU 30 1HB GLU 30 -10.169 3.480 1.114 212 2HB GLU 30 2HB GLU 30 -10.010 2.499 -0.330 213 1HG GLU 30 1HG GLU 30 -12.356 2.641 -0.017 214 2HG GLU 30 2HG GLU 30 -11.955 1.062 0.629 215 H CYS 31 H CYS 31 -7.142 2.438 0.998 216 HA CYS 31 HA CYS 31 -6.578 0.800 -1.239 217 1HB CYS 31 1HB CYS 31 -5.531 2.824 -1.404 218 2HB CYS 31 2HB CYS 31 -5.155 2.910 0.305 219 H ASN 32 H ASN 32 -6.077 0.674 2.274 220 HA ASN 32 HA ASN 32 -4.198 -1.490 1.985 221 1HB ASN 32 1HB ASN 32 -3.525 -0.912 4.106 222 2HB ASN 32 2HB ASN 32 -4.493 0.531 3.875 223 2HD2 ASN 32 2HD2 ASN 32 -3.833 -1.673 6.049 224 1HD2 ASN 32 1HD2 ASN 32 -5.343 -1.884 6.869 225 H ASN 33 H ASN 33 -7.469 -1.160 1.697 226 HA ASN 33 HA ASN 33 -8.123 -3.448 3.352 227 1HB ASN 33 1HB ASN 33 -9.685 -1.597 3.594 228 2HB ASN 33 2HB ASN 33 -9.805 -1.380 1.859 229 2HD2 ASN 33 2HD2 ASN 33 -11.178 -2.577 0.670 230 1HD2 ASN 33 1HD2 ASN 33 -12.288 -3.746 1.303 231 H ARG 34 H ARG 34 -8.096 -2.162 -0.018 232 HA ARG 34 HA ARG 34 -9.405 -4.263 -1.216 233 1HB ARG 34 1HB ARG 34 -8.497 -1.896 -2.106 234 2HB ARG 34 2HB ARG 34 -7.132 -2.858 -2.638 235 1HG ARG 34 1HG ARG 34 -9.903 -3.871 -3.273 236 2HG ARG 34 2HG ARG 34 -9.301 -2.504 -4.190 237 1HD ARG 34 1HD ARG 34 -7.110 -4.064 -4.401 238 2HD ARG 34 2HD ARG 34 -8.275 -5.341 -4.114 239 HE ARG 34 HE ARG 34 -9.408 -3.657 -6.087 240 1HH1 ARG 34 1HH1 ARG 34 -6.595 -5.743 -5.743 241 2HH1 ARG 34 2HH1 ARG 34 -6.503 -6.112 -7.433 242 1HH2 ARG 34 1HH2 ARG 34 -9.288 -4.144 -8.316 243 2HH2 ARG 34 2HH2 ARG 34 -8.045 -5.197 -8.906 244 H GLY 35 H GLY 35 -6.168 -3.980 0.117 245 1HA GLY 35 1HA GLY 35 -5.483 -6.624 -1.022 246 2HA GLY 35 2HA GLY 35 -5.079 -6.096 0.599 247 H CYS 36 H CYS 36 -3.684 -4.036 0.768 248 HA CYS 36 HA CYS 36 -1.328 -4.432 -0.592 249 1HB CYS 36 1HB CYS 36 -3.123 -3.214 -2.314 250 2HB CYS 36 2HB CYS 36 -2.202 -1.863 -1.683 251 H CYS 37 H CYS 37 -0.601 -1.519 -0.687 252 HA CYS 37 HA CYS 37 -1.011 -0.862 2.138 253 1HB CYS 37 1HB CYS 37 1.532 -1.051 0.580 254 2HB CYS 37 2HB CYS 37 1.392 0.200 1.799 255 H PHE 38 H PHE 38 -1.126 1.450 2.567 256 HA PHE 38 HA PHE 38 -1.562 3.016 0.122 257 1HB PHE 38 1HB PHE 38 -3.607 2.636 1.478 258 2HB PHE 38 2HB PHE 38 -2.757 3.053 2.953 259 HD1 PHE 38 HD1 PHE 38 -4.102 4.434 -0.199 260 HD2 PHE 38 HD2 PHE 38 -2.570 5.309 3.660 261 HE1 PHE 38 HE1 PHE 38 -4.850 6.817 -0.443 262 HE2 PHE 38 HE2 PHE 38 -3.318 7.693 3.416 263 HZ PHE 38 HZ PHE 38 -4.448 8.418 1.367 264 H ASP 39 H ASP 39 -1.418 5.527 0.721 265 HA ASP 39 HA ASP 39 0.215 6.339 2.766 266 1HB ASP 39 1HB ASP 39 2.045 5.103 1.742 267 2HB ASP 39 2HB ASP 39 1.663 5.735 0.153 268 H SER 40 H SER 40 0.445 8.688 2.660 269 HA SER 40 HA SER 40 -0.393 9.901 0.167 270 1HB SER 40 1HB SER 40 -2.003 11.368 1.304 271 2HB SER 40 2HB SER 40 -2.441 9.689 1.550 272 HG SER 40 HG SER 40 -2.444 10.181 3.631 273 H ARG 41 H ARG 41 2.122 9.535 1.932 274 HA ARG 41 HA ARG 41 2.633 12.026 3.086 275 1HB ARG 41 1HB ARG 41 3.842 9.546 3.142 276 2HB ARG 41 2HB ARG 41 4.960 10.415 2.110 277 1HG ARG 41 1HG ARG 41 5.117 12.231 3.851 278 2HG ARG 41 2HG ARG 41 4.053 11.303 4.890 279 1HD ARG 41 1HD ARG 41 5.771 9.990 5.598 280 2HD ARG 41 2HD ARG 41 6.229 9.600 3.952 281 HE ARG 41 HE ARG 41 7.404 11.686 5.646 282 1HH1 ARG 41 1HH1 ARG 41 6.942 10.566 2.342 283 2HH1 ARG 41 2HH1 ARG 41 8.316 11.421 1.725 284 1HH2 ARG 41 1HH2 ARG 41 9.217 12.814 4.832 285 2HH2 ARG 41 2HH2 ARG 41 9.619 12.708 3.150 286 H ILE 42 H ILE 42 3.058 10.620 -0.165 287 HA ILE 42 HA ILE 42 3.618 13.247 -1.202 288 HB ILE 42 HB ILE 42 5.581 11.885 -2.510 289 1HG1 ILE 42 1HG1 ILE 42 7.000 10.843 -0.758 290 2HG1 ILE 42 2HG1 ILE 42 5.681 10.991 0.387 291 1HG2 ILE 42 1HG2 ILE 42 5.417 13.952 -0.414 292 2HG2 ILE 42 2HG2 ILE 42 6.998 13.148 -0.557 293 3HG2 ILE 42 3HG2 ILE 42 6.277 13.950 -1.973 294 1HD1 ILE 42 1HD1 ILE 42 5.052 9.670 -2.237 295 2HD1 ILE 42 2HD1 ILE 42 6.055 8.762 -1.080 296 3HD1 ILE 42 3HD1 ILE 42 4.429 9.313 -0.608 297 HA PRO 43 HA PRO 43 1.097 11.339 -4.181 298 1HB PRO 43 1HB PRO 43 0.779 13.485 -5.843 299 2HB PRO 43 2HB PRO 43 -0.192 13.234 -4.406 300 1HG PRO 43 1HG PRO 43 2.021 15.146 -4.837 301 2HG PRO 43 2HG PRO 43 0.781 15.162 -3.599 302 1HD PRO 43 1HD PRO 43 3.517 14.362 -3.278 303 2HD PRO 43 2HD PRO 43 2.249 14.270 -2.071 304 H GLY 44 H GLY 44 3.946 13.135 -5.124 305 1HA GLY 44 1HA GLY 44 5.598 12.510 -6.539 306 2HA GLY 44 2HA GLY 44 4.291 12.448 -7.704 307 H VAL 45 H VAL 45 4.353 10.259 -4.894 308 HA VAL 45 HA VAL 45 5.263 8.097 -6.651 309 HB VAL 45 HB VAL 45 6.215 7.118 -4.855 310 1HG1 VAL 45 1HG1 VAL 45 6.015 10.011 -3.958 311 2HG1 VAL 45 2HG1 VAL 45 7.119 8.810 -3.246 312 3HG1 VAL 45 3HG1 VAL 45 7.291 9.273 -4.957 313 1HG2 VAL 45 1HG2 VAL 45 3.937 8.259 -3.232 314 2HG2 VAL 45 2HG2 VAL 45 4.344 6.555 -3.551 315 3HG2 VAL 45 3HG2 VAL 45 5.362 7.524 -2.458 316 HA PRO 46 HA PRO 46 1.403 6.162 -6.417 317 1HB PRO 46 1HB PRO 46 1.938 3.511 -6.026 318 2HB PRO 46 2HB PRO 46 2.104 4.303 -7.581 319 1HG PRO 46 1HG PRO 46 4.219 3.455 -5.697 320 2HG PRO 46 2HG PRO 46 4.357 3.847 -7.400 321 1HD PRO 46 1HD PRO 46 5.127 5.504 -5.189 322 2HD PRO 46 2HD PRO 46 5.157 5.940 -6.886 323 H TRP 47 H TRP 47 0.476 7.272 -4.674 324 HA TRP 47 HA TRP 47 0.820 6.960 -2.089 325 1HB TRP 47 1HB TRP 47 -1.649 7.244 -3.729 326 2HB TRP 47 2HB TRP 47 -1.846 6.899 -2.022 327 HD1 TRP 47 HD1 TRP 47 1.064 9.160 -3.140 328 HE1 TRP 47 HE1 TRP 47 0.727 11.640 -2.304 329 HE3 TRP 47 HE3 TRP 47 -3.670 8.490 -1.409 330 HZ2 TRP 47 HZ2 TRP 47 -1.433 13.013 -1.041 331 HZ3 TRP 47 HZ3 TRP 47 -4.822 10.451 -0.389 332 HH2 TRP 47 HH2 TRP 47 -3.780 12.653 -0.190 333 H CYS 48 H CYS 48 -1.167 4.665 -4.097 334 HA CYS 48 HA CYS 48 -1.080 2.778 -1.897 335 1HB CYS 48 1HB CYS 48 -3.178 3.360 -3.256 336 2HB CYS 48 2HB CYS 48 -2.478 2.393 -4.539 337 H PHE 49 H PHE 49 0.715 1.469 -1.819 338 HA PHE 49 HA PHE 49 1.690 0.428 -4.378 339 1HB PHE 49 1HB PHE 49 4.002 0.605 -3.165 340 2HB PHE 49 2HB PHE 49 3.302 2.115 -3.713 341 HD1 PHE 49 HD1 PHE 49 3.447 -0.070 -0.696 342 HD2 PHE 49 HD2 PHE 49 3.091 3.875 -2.218 343 HE1 PHE 49 HE1 PHE 49 3.590 0.844 1.638 344 HE2 PHE 49 HE2 PHE 49 3.234 4.789 0.115 345 HZ PHE 49 HZ PHE 49 3.482 3.262 2.015 346 H LYS 50 H LYS 50 3.148 -1.562 -4.012 347 HA LYS 50 HA LYS 50 1.693 -3.395 -2.425 348 1HB LYS 50 1HB LYS 50 4.283 -3.617 -3.981 349 2HB LYS 50 2HB LYS 50 3.534 -4.968 -3.155 350 1HG LYS 50 1HG LYS 50 1.374 -3.968 -4.547 351 2HG LYS 50 2HG LYS 50 2.679 -3.555 -5.641 352 1HD LYS 50 1HD LYS 50 3.267 -6.197 -4.821 353 2HD LYS 50 2HD LYS 50 1.527 -6.189 -5.034 354 1HE LYS 50 1HE LYS 50 2.590 -4.734 -7.252 355 2HE LYS 50 2HE LYS 50 3.618 -6.141 -7.066 356 1HZ LYS 50 1HZ LYS 50 0.806 -6.657 -6.823 357 2HZ LYS 50 2HZ LYS 50 1.287 -6.173 -8.307 358 3HZ LYS 50 3HZ LYS 50 1.955 -7.497 -7.623 359 HA PRO 51 HA PRO 51 3.914 -3.288 1.273 360 1HB PRO 51 1HB PRO 51 3.963 -5.895 2.091 361 2HB PRO 51 2HB PRO 51 2.558 -4.863 2.264 362 1HG PRO 51 1HG PRO 51 3.029 -7.042 0.322 363 2HG PRO 51 2HG PRO 51 1.513 -6.298 0.791 364 1HD PRO 51 1HD PRO 51 2.975 -5.834 -1.633 365 2HD PRO 51 2HD PRO 51 1.521 -5.007 -1.111 366 H LEU 52 H LEU 52 5.949 -2.753 1.724 367 HA LEU 52 HA LEU 52 8.039 -3.244 0.185 368 1HB LEU 52 1HB LEU 52 8.300 -1.806 2.001 369 2HB LEU 52 2HB LEU 52 7.836 -3.025 3.170 370 HG LEU 52 HG LEU 52 10.389 -3.175 1.552 371 1HD1 LEU 52 1HD1 LEU 52 9.891 -1.192 3.350 372 2HD1 LEU 52 2HD1 LEU 52 10.590 -2.446 4.402 373 3HD1 LEU 52 3HD1 LEU 52 11.502 -1.859 2.990 374 1HD2 LEU 52 1HD2 LEU 52 9.051 -4.998 3.316 375 2HD2 LEU 52 2HD2 LEU 52 10.574 -5.207 2.419 376 3HD2 LEU 52 3HD2 LEU 52 10.592 -4.493 4.049 377 H GLN 53 H GLN 53 9.393 -4.886 -0.432 378 HA GLN 53 HA GLN 53 8.527 -7.490 0.031 379 1HB GLN 53 1HB GLN 53 10.794 -6.162 -1.386 380 2HB GLN 53 2HB GLN 53 11.070 -7.831 -0.929 381 1HG GLN 53 1HG GLN 53 9.882 -8.448 -2.761 382 2HG GLN 53 2HG GLN 53 8.445 -7.845 -1.958 383 2HE2 GLN 53 2HE2 GLN 53 8.377 -5.309 -1.983 384 1HE2 GLN 53 1HE2 GLN 53 8.573 -4.580 -3.542 385 H GLU 54 H GLU 54 8.455 -7.401 2.466 386 HA GLU 54 HA GLU 54 10.553 -7.003 4.089 387 1HB GLU 54 1HB GLU 54 9.334 -8.156 5.741 388 2HB GLU 54 2HB GLU 54 8.089 -7.671 4.607 389 1HG GLU 54 1HG GLU 54 8.387 -9.967 3.477 390 2HG GLU 54 2HG GLU 54 9.394 -10.418 4.838 391 H ALA 55 H ALA 55 12.597 -7.818 4.154 392 HA ALA 55 HA ALA 55 12.960 -10.670 3.864 393 1HB ALA 55 1HB ALA 55 13.586 -10.575 1.706 394 2HB ALA 55 2HB ALA 55 14.975 -9.585 2.215 395 3HB ALA 55 3HB ALA 55 13.465 -8.799 1.694 396 H GLU 56 H GLU 56 14.985 -7.653 3.683 397 HA GLU 56 HA GLU 56 16.425 -8.720 5.979 398 1HB GLU 56 1HB GLU 56 17.562 -8.193 3.661 399 2HB GLU 56 2HB GLU 56 17.474 -6.522 4.179 400 1HG GLU 56 1HG GLU 56 18.816 -6.964 6.152 401 2HG GLU 56 2HG GLU 56 18.687 -8.698 5.935 402 H CYS 57 H CYS 57 17.178 -7.137 7.636 403 HA CYS 57 HA CYS 57 15.084 -5.474 8.430 404 1HB CYS 57 1HB CYS 57 17.944 -5.728 9.361 405 2HB CYS 57 2HB CYS 57 16.802 -4.627 10.106 406 H THR 58 H THR 58 18.481 -4.668 7.370 407 HA THR 58 HA THR 58 17.575 -2.551 5.696 408 HB THR 58 HB THR 58 17.244 -1.424 7.868 409 HG1 THR 58 HG1 THR 58 19.833 -0.754 6.662 410 1HG2 THR 58 1HG2 THR 58 18.907 -2.820 9.201 411 2HG2 THR 58 2HG2 THR 58 20.218 -1.976 8.344 412 3HG2 THR 58 3HG2 THR 58 19.123 -1.066 9.412 413 H PHE 59 H PHE 59 20.339 -3.831 7.650 414 HA PHE 59 HA PHE 59 21.835 -3.945 5.150 415 1HB PHE 59 1HB PHE 59 22.224 -1.827 6.729 416 2HB PHE 59 2HB PHE 59 23.025 -2.964 7.795 417 HD1 PHE 59 HD1 PHE 59 24.741 -4.575 6.373 418 HD2 PHE 59 HD2 PHE 59 23.633 -0.595 5.401 419 HE1 PHE 59 HE1 PHE 59 26.867 -4.301 5.068 420 HE2 PHE 59 HE2 PHE 59 25.760 -0.322 4.096 421 HZ PHE 59 HZ PHE 59 27.351 -2.178 3.945 No H/Q in entry = 421 Start of MODEL 69 1 H GLU 1 H GLU 1 5.260 -7.167 22.142 2 HA GLU 1 HA GLU 1 5.163 -5.505 19.745 3 1HB GLU 1 1HB GLU 1 6.971 -5.418 21.948 4 2HB GLU 1 2HB GLU 1 7.877 -6.095 20.609 5 1HG GLU 1 1HG GLU 1 6.925 -4.150 19.178 6 2HG GLU 1 2HG GLU 1 6.392 -3.435 20.686 7 H GLU 2 H GLU 2 7.384 -6.369 18.368 8 HA GLU 2 HA GLU 2 8.300 -7.998 17.232 9 1HB GLU 2 1HB GLU 2 7.639 -9.359 19.613 10 2HB GLU 2 2HB GLU 2 6.992 -10.377 18.341 11 1HG GLU 2 1HG GLU 2 9.075 -10.911 17.513 12 2HG GLU 2 2HG GLU 2 9.717 -9.304 17.790 13 H TYR 3 H TYR 3 4.978 -9.193 18.141 14 HA TYR 3 HA TYR 3 4.447 -9.969 15.443 15 1HB TYR 3 1HB TYR 3 3.567 -11.036 17.593 16 2HB TYR 3 2HB TYR 3 2.714 -9.550 17.959 17 HD1 TYR 3 HD1 TYR 3 2.787 -12.528 15.790 18 HD2 TYR 3 HD2 TYR 3 0.655 -8.959 16.799 19 HE1 TYR 3 HE1 TYR 3 0.760 -13.367 14.506 20 HE2 TYR 3 HE2 TYR 3 -1.365 -9.810 15.512 21 HH TYR 3 HH TYR 3 -2.047 -12.608 14.879 22 H VAL 4 H VAL 4 4.303 -8.335 13.939 23 HA VAL 4 HA VAL 4 2.024 -6.709 13.968 24 HB VAL 4 HB VAL 4 3.058 -5.378 15.618 25 1HG1 VAL 4 1HG1 VAL 4 5.476 -6.329 14.557 26 2HG1 VAL 4 2HG1 VAL 4 5.516 -4.567 14.304 27 3HG1 VAL 4 3HG1 VAL 4 5.263 -5.225 15.938 28 1HG2 VAL 4 1HG2 VAL 4 2.091 -4.239 13.533 29 2HG2 VAL 4 2HG2 VAL 4 3.139 -3.258 14.585 30 3HG2 VAL 4 3HG2 VAL 4 3.779 -3.926 13.065 31 H GLY 5 H GLY 5 1.611 -7.225 11.860 32 1HA GLY 5 1HA GLY 5 2.358 -7.904 9.718 33 2HA GLY 5 2HA GLY 5 3.828 -6.977 9.935 34 H LEU 6 H LEU 6 1.085 -5.303 11.187 35 HA LEU 6 HA LEU 6 1.016 -3.673 8.749 36 1HB LEU 6 1HB LEU 6 -1.411 -3.299 9.239 37 2HB LEU 6 2HB LEU 6 -0.977 -4.880 8.619 38 HG LEU 6 HG LEU 6 -1.203 -4.514 11.586 39 1HD1 LEU 6 1HD1 LEU 6 -3.372 -4.049 9.702 40 2HD1 LEU 6 2HD1 LEU 6 -3.719 -5.401 10.805 41 3HD1 LEU 6 3HD1 LEU 6 -3.307 -3.800 11.463 42 1HD2 LEU 6 1HD2 LEU 6 -0.365 -6.630 10.680 43 2HD2 LEU 6 2HD2 LEU 6 -1.925 -6.844 11.510 44 3HD2 LEU 6 3HD2 LEU 6 -1.858 -6.821 9.731 45 H SER 7 H SER 7 2.028 -1.808 9.274 46 HA SER 7 HA SER 7 0.962 -0.106 11.141 47 1HB SER 7 1HB SER 7 2.234 -0.266 13.071 48 2HB SER 7 2HB SER 7 2.180 -1.958 12.616 49 HG SER 7 HG SER 7 4.278 -1.862 11.825 50 H ALA 8 H ALA 8 3.847 -1.302 9.384 51 HA ALA 8 HA ALA 8 4.166 0.980 7.878 52 1HB ALA 8 1HB ALA 8 4.955 1.506 10.499 53 2HB ALA 8 2HB ALA 8 5.435 2.428 9.055 54 3HB ALA 8 3HB ALA 8 6.484 1.129 9.671 55 H ASN 9 H ASN 9 6.096 -1.454 9.761 56 HA ASN 9 HA ASN 9 8.158 -1.898 8.239 57 1HB ASN 9 1HB ASN 9 6.618 -3.466 10.054 58 2HB ASN 9 2HB ASN 9 6.852 -4.498 8.657 59 2HD2 ASN 9 2HD2 ASN 9 8.893 -5.142 8.036 60 1HD2 ASN 9 1HD2 ASN 9 10.289 -5.002 9.051 61 H GLN 10 H GLN 10 4.761 -2.795 7.461 62 HA GLN 10 HA GLN 10 5.508 -4.205 5.109 63 1HB GLN 10 1HB GLN 10 3.340 -4.344 6.713 64 2HB GLN 10 2HB GLN 10 2.700 -3.222 5.529 65 1HG GLN 10 1HG GLN 10 2.206 -5.045 4.262 66 2HG GLN 10 2HG GLN 10 3.921 -5.145 3.919 67 2HE2 GLN 10 2HE2 GLN 10 1.566 -7.064 4.489 68 1HE2 GLN 10 1HE2 GLN 10 2.223 -8.243 5.575 69 H CYS 11 H CYS 11 3.881 -1.045 5.855 70 HA CYS 11 HA CYS 11 4.387 -0.279 3.080 71 1HB CYS 11 1HB CYS 11 2.687 1.402 4.847 72 2HB CYS 11 2HB CYS 11 2.561 1.082 3.128 73 H ALA 12 H ALA 12 6.657 -0.387 4.660 74 HA ALA 12 HA ALA 12 7.051 2.388 5.540 75 1HB ALA 12 1HB ALA 12 9.182 1.077 6.548 76 2HB ALA 12 2HB ALA 12 7.624 1.177 7.403 77 3HB ALA 12 3HB ALA 12 8.032 -0.279 6.465 78 H VAL 13 H VAL 13 6.971 1.927 2.778 79 HA VAL 13 HA VAL 13 9.689 1.491 1.899 80 HB VAL 13 HB VAL 13 7.620 2.494 0.040 81 1HG1 VAL 13 1HG1 VAL 13 9.929 0.645 0.062 82 2HG1 VAL 13 2HG1 VAL 13 8.564 0.141 -0.963 83 3HG1 VAL 13 3HG1 VAL 13 9.332 1.726 -1.220 84 1HG2 VAL 13 1HG2 VAL 13 7.229 0.045 1.726 85 2HG2 VAL 13 2HG2 VAL 13 6.035 1.217 1.119 86 3HG2 VAL 13 3HG2 VAL 13 6.732 0.005 0.017 87 HA PRO 14 HA PRO 14 10.729 5.689 1.901 88 1HB PRO 14 1HB PRO 14 12.834 5.688 0.158 89 2HB PRO 14 2HB PRO 14 12.978 5.201 1.835 90 1HG PRO 14 1HG PRO 14 12.926 3.509 -0.589 91 2HG PRO 14 2HG PRO 14 13.485 3.103 1.021 92 1HD PRO 14 1HD PRO 14 11.005 2.314 -0.185 93 2HD PRO 14 2HD PRO 14 11.513 2.006 1.464 94 H ALA 15 H ALA 15 9.090 4.272 -0.491 95 HA ALA 15 HA ALA 15 7.669 5.301 -1.913 96 1HB ALA 15 1HB ALA 15 9.223 7.837 -2.146 97 2HB ALA 15 2HB ALA 15 7.468 7.579 -2.003 98 3HB ALA 15 3HB ALA 15 8.501 7.492 -0.556 99 H LYS 16 H LYS 16 11.136 5.099 -2.078 100 HA LYS 16 HA LYS 16 11.114 5.343 -4.980 101 1HB LYS 16 1HB LYS 16 13.563 5.240 -4.769 102 2HB LYS 16 2HB LYS 16 12.867 6.538 -3.820 103 1HG LYS 16 1HG LYS 16 14.544 5.399 -2.459 104 2HG LYS 16 2HG LYS 16 12.963 5.076 -1.777 105 1HD LYS 16 1HD LYS 16 12.941 2.836 -2.517 106 2HD LYS 16 2HD LYS 16 14.073 3.143 -3.820 107 1HE LYS 16 1HE LYS 16 15.477 3.800 -1.429 108 2HE LYS 16 2HE LYS 16 14.617 2.316 -1.070 109 1HZ LYS 16 1HZ LYS 16 15.540 1.713 -3.434 110 2HZ LYS 16 2HZ LYS 16 16.696 2.788 -3.016 111 3HZ LYS 16 3HZ LYS 16 16.423 1.478 -2.080 112 H ASP 17 H ASP 17 10.006 3.083 -3.013 113 HA ASP 17 HA ASP 17 11.114 0.969 -4.672 114 1HB ASP 17 1HB ASP 17 11.391 1.270 -1.808 115 2HB ASP 17 2HB ASP 17 10.350 -0.108 -2.107 116 H ARG 18 H ARG 18 8.559 2.754 -4.426 117 HA ARG 18 HA ARG 18 6.552 0.988 -3.528 118 1HB ARG 18 1HB ARG 18 6.185 3.420 -5.340 119 2HB ARG 18 2HB ARG 18 4.994 2.719 -4.262 120 1HG ARG 18 1HG ARG 18 7.617 4.000 -3.358 121 2HG ARG 18 2HG ARG 18 6.057 4.796 -3.327 122 1HD ARG 18 1HD ARG 18 5.285 2.712 -1.898 123 2HD ARG 18 2HD ARG 18 6.999 2.439 -1.659 124 HE ARG 18 HE ARG 18 6.972 4.184 -0.122 125 1HH1 ARG 18 1HH1 ARG 18 4.409 4.741 -2.468 126 2HH1 ARG 18 2HH1 ARG 18 3.843 6.186 -1.697 127 1HH2 ARG 18 1HH2 ARG 18 6.226 6.090 0.895 128 2HH2 ARG 18 2HH2 ARG 18 4.883 6.958 0.228 129 H VAL 19 H VAL 19 5.830 -0.782 -4.668 130 HA VAL 19 HA VAL 19 6.523 -1.086 -7.418 131 HB VAL 19 HB VAL 19 4.745 -2.746 -5.620 132 1HG1 VAL 19 1HG1 VAL 19 6.046 -3.296 -8.300 133 2HG1 VAL 19 2HG1 VAL 19 5.457 -4.587 -7.225 134 3HG1 VAL 19 3HG1 VAL 19 4.321 -3.379 -7.871 135 1HG2 VAL 19 1HG2 VAL 19 7.736 -2.768 -6.083 136 2HG2 VAL 19 2HG2 VAL 19 6.848 -2.660 -4.543 137 3HG2 VAL 19 3HG2 VAL 19 6.854 -4.185 -5.462 138 H ASP 20 H ASP 20 4.049 0.571 -5.746 139 HA ASP 20 HA ASP 20 2.194 1.511 -6.354 140 1HB ASP 20 1HB ASP 20 3.289 2.538 -8.205 141 2HB ASP 20 2HB ASP 20 3.440 1.024 -9.075 142 H CYS 21 H CYS 21 0.372 0.285 -5.817 143 HA CYS 21 HA CYS 21 -0.036 -2.281 -6.963 144 1HB CYS 21 1HB CYS 21 -0.880 -0.936 -4.669 145 2HB CYS 21 2HB CYS 21 -2.346 -1.149 -5.604 146 H GLY 22 H GLY 22 -0.516 0.908 -8.036 147 1HA GLY 22 1HA GLY 22 -1.770 0.249 -10.407 148 2HA GLY 22 2HA GLY 22 -1.709 1.848 -9.692 149 H TYR 23 H TYR 23 -3.395 2.440 -8.051 150 HA TYR 23 HA TYR 23 -5.937 1.283 -8.857 151 1HB TYR 23 1HB TYR 23 -4.618 0.384 -6.589 152 2HB TYR 23 2HB TYR 23 -5.421 1.788 -5.915 153 HD1 TYR 23 HD1 TYR 23 -6.477 -0.863 -8.365 154 HD2 TYR 23 HD2 TYR 23 -7.284 1.170 -4.688 155 HE1 TYR 23 HE1 TYR 23 -8.612 -2.214 -8.078 156 HE2 TYR 23 HE2 TYR 23 -9.416 -0.188 -4.413 157 HH TYR 23 HH TYR 23 -10.926 -1.426 -5.618 158 HA PRO 24 HA PRO 24 -7.008 5.468 -8.507 159 1HB PRO 24 1HB PRO 24 -9.723 5.278 -8.747 160 2HB PRO 24 2HB PRO 24 -8.636 5.253 -10.120 161 1HG PRO 24 1HG PRO 24 -10.104 3.009 -8.878 162 2HG PRO 24 2HG PRO 24 -9.370 3.094 -10.466 163 1HD PRO 24 1HD PRO 24 -8.329 1.733 -8.166 164 2HD PRO 24 2HD PRO 24 -7.541 1.917 -9.720 165 H HIS 25 H HIS 25 -9.793 4.004 -6.954 166 HA HIS 25 HA HIS 25 -9.741 5.894 -4.900 167 1HB HIS 25 1HB HIS 25 -11.740 5.032 -4.407 168 2HB HIS 25 2HB HIS 25 -11.539 4.076 -5.862 169 HD1 HIS 25 HD1 HIS 25 -12.125 3.749 -2.286 170 HD2 HIS 25 HD2 HIS 25 -10.336 1.399 -5.265 171 HE1 HIS 25 HE1 HIS 25 -12.016 1.376 -1.356 172 HE2 HIS 25 HE2 HIS 25 -10.958 -0.032 -3.251 173 H VAL 26 H VAL 26 -7.755 6.031 -3.830 174 HA VAL 26 HA VAL 26 -7.077 3.636 -2.271 175 HB VAL 26 HB VAL 26 -4.707 4.344 -2.476 176 1HG1 VAL 26 1HG1 VAL 26 -6.368 3.382 -4.762 177 2HG1 VAL 26 2HG1 VAL 26 -4.670 3.799 -5.095 178 3HG1 VAL 26 3HG1 VAL 26 -5.061 2.568 -3.870 179 1HG2 VAL 26 1HG2 VAL 26 -5.870 6.331 -4.447 180 2HG2 VAL 26 2HG2 VAL 26 -4.870 6.661 -3.012 181 3HG2 VAL 26 3HG2 VAL 26 -4.154 5.858 -4.430 182 H THR 27 H THR 27 -7.028 3.965 -0.097 183 HA THR 27 HA THR 27 -6.571 6.684 0.870 184 HB THR 27 HB THR 27 -8.673 6.890 1.848 185 HG1 THR 27 HG1 THR 27 -9.585 5.044 2.849 186 1HG2 THR 27 1HG2 THR 27 -9.258 4.710 -0.226 187 2HG2 THR 27 2HG2 THR 27 -10.479 5.756 0.539 188 3HG2 THR 27 3HG2 THR 27 -9.255 6.461 -0.545 189 HA PRO 28 HA PRO 28 -4.555 4.727 4.123 190 1HB PRO 28 1HB PRO 28 -5.322 6.020 6.406 191 2HB PRO 28 2HB PRO 28 -4.161 6.682 5.273 192 1HG PRO 28 1HG PRO 28 -6.985 7.449 5.693 193 2HG PRO 28 2HG PRO 28 -5.709 8.350 4.897 194 1HD PRO 28 1HD PRO 28 -7.842 6.910 3.630 195 2HD PRO 28 2HD PRO 28 -6.502 7.713 2.835 196 H LYS 29 H LYS 29 -6.932 3.379 3.274 197 HA LYS 29 HA LYS 29 -7.009 1.438 5.262 198 1HB LYS 29 1HB LYS 29 -8.297 3.435 6.352 199 2HB LYS 29 2HB LYS 29 -9.601 2.968 5.280 200 1HG LYS 29 1HG LYS 29 -8.458 0.601 6.558 201 2HG LYS 29 2HG LYS 29 -8.909 1.781 7.773 202 1HD LYS 29 1HD LYS 29 -10.958 1.528 5.665 203 2HD LYS 29 2HD LYS 29 -10.645 -0.001 6.463 204 1HE LYS 29 1HE LYS 29 -10.744 1.657 8.649 205 2HE LYS 29 2HE LYS 29 -11.831 2.513 7.573 206 1HZ LYS 29 1HZ LYS 29 -12.992 0.385 7.248 207 2HZ LYS 29 2HZ LYS 29 -12.046 -0.299 8.391 208 3HZ LYS 29 3HZ LYS 29 -13.056 0.921 8.789 209 H GLU 30 H GLU 30 -8.924 3.165 2.728 210 HA GLU 30 HA GLU 30 -10.193 0.832 1.854 211 1HB GLU 30 1HB GLU 30 -10.166 3.645 1.191 212 2HB GLU 30 2HB GLU 30 -10.017 2.727 -0.294 213 1HG GLU 30 1HG GLU 30 -12.351 2.834 -0.027 214 2HG GLU 30 2HG GLU 30 -11.982 1.267 0.665 215 H CYS 31 H CYS 31 -7.077 2.388 1.130 216 HA CYS 31 HA CYS 31 -6.640 0.775 -1.198 217 1HB CYS 31 1HB CYS 31 -5.582 2.784 -1.442 218 2HB CYS 31 2HB CYS 31 -5.163 2.913 0.255 219 H ASN 32 H ASN 32 -6.116 0.675 2.297 220 HA ASN 32 HA ASN 32 -4.210 -1.469 2.020 221 1HB ASN 32 1HB ASN 32 -5.393 -0.459 4.640 222 2HB ASN 32 2HB ASN 32 -3.832 -1.213 4.384 223 2HD2 ASN 32 2HD2 ASN 32 -2.293 0.179 4.764 224 1HD2 ASN 32 1HD2 ASN 32 -2.208 1.825 4.233 225 H ASN 33 H ASN 33 -7.505 -1.136 1.791 226 HA ASN 33 HA ASN 33 -8.110 -3.454 3.420 227 1HB ASN 33 1HB ASN 33 -9.623 -1.506 3.665 228 2HB ASN 33 2HB ASN 33 -9.902 -1.462 1.935 229 2HD2 ASN 33 2HD2 ASN 33 -11.562 -1.969 4.451 230 1HD2 ASN 33 1HD2 ASN 33 -12.505 -3.376 4.089 231 H ARG 34 H ARG 34 -8.153 -2.113 0.074 232 HA ARG 34 HA ARG 34 -9.498 -4.181 -1.136 233 1HB ARG 34 1HB ARG 34 -8.505 -1.798 -1.981 234 2HB ARG 34 2HB ARG 34 -7.244 -2.835 -2.620 235 1HG ARG 34 1HG ARG 34 -9.148 -2.411 -4.237 236 2HG ARG 34 2HG ARG 34 -8.828 -4.109 -3.942 237 1HD ARG 34 1HD ARG 34 -10.792 -2.888 -2.060 238 2HD ARG 34 2HD ARG 34 -11.319 -2.922 -3.731 239 HE ARG 34 HE ARG 34 -11.022 -5.212 -1.973 240 1HH1 ARG 34 1HH1 ARG 34 -10.811 -4.214 -5.341 241 2HH1 ARG 34 2HH1 ARG 34 -11.143 -5.796 -5.964 242 1HH2 ARG 34 1HH2 ARG 34 -11.460 -7.299 -2.794 243 2HH2 ARG 34 2HH2 ARG 34 -11.515 -7.562 -4.505 244 H GLY 35 H GLY 35 -6.244 -3.964 0.161 245 1HA GLY 35 1HA GLY 35 -5.605 -6.593 -1.038 246 2HA GLY 35 2HA GLY 35 -5.173 -6.099 0.587 247 H CYS 36 H CYS 36 -3.719 -4.107 0.798 248 HA CYS 36 HA CYS 36 -1.391 -4.489 -0.571 249 1HB CYS 36 1HB CYS 36 -3.167 -3.292 -2.320 250 2HB CYS 36 2HB CYS 36 -2.254 -1.931 -1.699 251 H CYS 37 H CYS 37 -0.648 -1.581 -0.702 252 HA CYS 37 HA CYS 37 -1.064 -0.886 2.113 253 1HB CYS 37 1HB CYS 37 1.473 -1.172 0.582 254 2HB CYS 37 2HB CYS 37 1.359 0.174 1.699 255 H PHE 38 H PHE 38 -1.093 1.452 2.515 256 HA PHE 38 HA PHE 38 -1.527 2.986 0.048 257 1HB PHE 38 1HB PHE 38 -3.597 2.626 1.371 258 2HB PHE 38 2HB PHE 38 -2.771 3.051 2.857 259 HD1 PHE 38 HD1 PHE 38 -4.087 4.405 -0.314 260 HD2 PHE 38 HD2 PHE 38 -2.554 5.320 3.536 261 HE1 PHE 38 HE1 PHE 38 -4.820 6.790 -0.589 262 HE2 PHE 38 HE2 PHE 38 -3.287 7.705 3.261 263 HZ PHE 38 HZ PHE 38 -4.411 8.411 1.202 264 H ASP 39 H ASP 39 -1.394 5.506 0.644 265 HA ASP 39 HA ASP 39 0.270 6.273 2.708 266 1HB ASP 39 1HB ASP 39 2.121 5.179 1.645 267 2HB ASP 39 2HB ASP 39 1.616 5.692 0.048 268 H SER 40 H SER 40 0.388 8.618 2.721 269 HA SER 40 HA SER 40 -0.582 9.908 0.307 270 1HB SER 40 1HB SER 40 -2.083 11.352 1.647 271 2HB SER 40 2HB SER 40 -2.532 9.664 1.788 272 HG SER 40 HG SER 40 -2.321 11.119 3.822 273 H ARG 41 H ARG 41 2.042 9.504 1.953 274 HA ARG 41 HA ARG 41 2.632 11.950 3.125 275 1HB ARG 41 1HB ARG 41 3.853 9.532 3.092 276 2HB ARG 41 2HB ARG 41 4.821 10.306 1.853 277 1HG ARG 41 1HG ARG 41 5.656 11.953 3.336 278 2HG ARG 41 2HG ARG 41 4.324 11.766 4.459 279 1HD ARG 41 1HD ARG 41 5.167 9.620 5.242 280 2HD ARG 41 2HD ARG 41 6.348 9.540 3.950 281 HE ARG 41 HE ARG 41 6.744 11.949 5.486 282 1HH1 ARG 41 1HH1 ARG 41 7.228 8.468 5.645 283 2HH1 ARG 41 2HH1 ARG 41 8.563 8.575 6.743 284 1HH2 ARG 41 1HH2 ARG 41 8.505 12.091 6.935 285 2HH2 ARG 41 2HH2 ARG 41 9.295 10.650 7.482 286 H ILE 42 H ILE 42 3.344 10.553 -0.150 287 HA ILE 42 HA ILE 42 3.554 13.276 -1.161 288 HB ILE 42 HB ILE 42 5.548 12.009 -2.548 289 1HG1 ILE 42 1HG1 ILE 42 7.077 11.085 -0.820 290 2HG1 ILE 42 2HG1 ILE 42 5.782 11.173 0.358 291 1HG2 ILE 42 1HG2 ILE 42 5.340 14.351 -1.506 292 2HG2 ILE 42 2HG2 ILE 42 6.108 13.631 -0.071 293 3HG2 ILE 42 3HG2 ILE 42 6.961 13.626 -1.633 294 1HD1 ILE 42 1HD1 ILE 42 4.934 9.826 -2.126 295 2HD1 ILE 42 2HD1 ILE 42 6.302 9.013 -1.329 296 3HD1 ILE 42 3HD1 ILE 42 4.787 9.287 -0.436 297 HA PRO 43 HA PRO 43 1.088 11.360 -4.167 298 1HB PRO 43 1HB PRO 43 0.798 13.479 -5.869 299 2HB PRO 43 2HB PRO 43 -0.181 13.264 -4.432 300 1HG PRO 43 1HG PRO 43 2.053 15.145 -4.888 301 2HG PRO 43 2HG PRO 43 0.809 15.197 -3.655 302 1HD PRO 43 1HD PRO 43 3.535 14.375 -3.310 303 2HD PRO 43 2HD PRO 43 2.262 14.317 -2.106 304 H GLY 44 H GLY 44 3.983 13.077 -5.098 305 1HA GLY 44 1HA GLY 44 5.642 12.363 -6.470 306 2HA GLY 44 2HA GLY 44 4.360 12.407 -7.664 307 H VAL 45 H VAL 45 4.773 10.179 -4.835 308 HA VAL 45 HA VAL 45 5.405 8.010 -6.656 309 HB VAL 45 HB VAL 45 6.258 6.929 -4.852 310 1HG1 VAL 45 1HG1 VAL 45 7.051 9.465 -5.059 311 2HG1 VAL 45 2HG1 VAL 45 6.379 9.547 -3.412 312 3HG1 VAL 45 3HG1 VAL 45 7.673 8.384 -3.789 313 1HG2 VAL 45 1HG2 VAL 45 4.177 8.329 -3.148 314 2HG2 VAL 45 2HG2 VAL 45 4.259 6.604 -3.580 315 3HG2 VAL 45 3HG2 VAL 45 5.472 7.306 -2.482 316 HA PRO 46 HA PRO 46 1.481 6.199 -6.505 317 1HB PRO 46 1HB PRO 46 1.929 3.523 -6.180 318 2HB PRO 46 2HB PRO 46 2.133 4.350 -7.712 319 1HG PRO 46 1HG PRO 46 4.204 3.386 -5.835 320 2HG PRO 46 2HG PRO 46 4.369 3.817 -7.526 321 1HD PRO 46 1HD PRO 46 5.173 5.391 -5.267 322 2HD PRO 46 2HD PRO 46 5.231 5.870 -6.952 323 H TRP 47 H TRP 47 0.591 7.302 -4.733 324 HA TRP 47 HA TRP 47 0.882 6.948 -2.166 325 1HB TRP 47 1HB TRP 47 -1.565 7.249 -3.828 326 2HB TRP 47 2HB TRP 47 -1.793 6.858 -2.134 327 HD1 TRP 47 HD1 TRP 47 1.129 9.159 -3.126 328 HE1 TRP 47 HE1 TRP 47 0.760 11.617 -2.237 329 HE3 TRP 47 HE3 TRP 47 -3.644 8.427 -1.533 330 HZ2 TRP 47 HZ2 TRP 47 -1.438 12.948 -0.995 331 HZ3 TRP 47 HZ3 TRP 47 -4.831 10.358 -0.493 332 HH2 TRP 47 HH2 TRP 47 -3.804 12.558 -0.213 333 H CYS 48 H CYS 48 -1.183 4.690 -4.146 334 HA CYS 48 HA CYS 48 -1.073 2.780 -1.981 335 1HB CYS 48 1HB CYS 48 -3.140 3.381 -3.415 336 2HB CYS 48 2HB CYS 48 -2.420 2.352 -4.637 337 H PHE 49 H PHE 49 0.551 1.267 -1.900 338 HA PHE 49 HA PHE 49 1.598 0.276 -4.432 339 1HB PHE 49 1HB PHE 49 3.924 0.493 -3.263 340 2HB PHE 49 2HB PHE 49 3.206 1.992 -3.820 341 HD1 PHE 49 HD1 PHE 49 3.459 -0.148 -0.780 342 HD2 PHE 49 HD2 PHE 49 2.971 3.768 -2.341 343 HE1 PHE 49 HE1 PHE 49 3.639 0.798 1.538 344 HE2 PHE 49 HE2 PHE 49 3.151 4.714 -0.023 345 HZ PHE 49 HZ PHE 49 3.483 3.218 1.889 346 H LYS 50 H LYS 50 3.077 -1.697 -4.018 347 HA LYS 50 HA LYS 50 1.639 -3.477 -2.341 348 1HB LYS 50 1HB LYS 50 4.286 -3.968 -3.727 349 2HB LYS 50 2HB LYS 50 3.111 -5.161 -3.208 350 1HG LYS 50 1HG LYS 50 1.427 -4.090 -4.795 351 2HG LYS 50 2HG LYS 50 2.714 -3.058 -5.386 352 1HD LYS 50 1HD LYS 50 2.927 -4.773 -6.924 353 2HD LYS 50 2HD LYS 50 3.989 -5.410 -5.685 354 1HE LYS 50 1HE LYS 50 2.391 -6.980 -4.922 355 2HE LYS 50 2HE LYS 50 1.036 -6.067 -5.556 356 1HZ LYS 50 1HZ LYS 50 3.025 -7.161 -7.387 357 2HZ LYS 50 2HZ LYS 50 1.841 -8.121 -6.802 358 3HZ LYS 50 3HZ LYS 50 1.460 -6.794 -7.673 359 HA PRO 51 HA PRO 51 4.017 -3.315 1.258 360 1HB PRO 51 1HB PRO 51 4.148 -5.911 2.104 361 2HB PRO 51 2HB PRO 51 2.732 -4.902 2.322 362 1HG PRO 51 1HG PRO 51 3.165 -7.096 0.389 363 2HG PRO 51 2HG PRO 51 1.656 -6.375 0.910 364 1HD PRO 51 1HD PRO 51 3.008 -5.915 -1.577 365 2HD PRO 51 2HD PRO 51 1.562 -5.108 -1.006 366 H LEU 52 H LEU 52 6.061 -2.795 1.705 367 HA LEU 52 HA LEU 52 8.104 -3.212 0.077 368 1HB LEU 52 1HB LEU 52 8.487 -1.822 1.874 369 2HB LEU 52 2HB LEU 52 7.945 -3.000 3.053 370 HG LEU 52 HG LEU 52 10.500 -3.338 1.470 371 1HD1 LEU 52 1HD1 LEU 52 10.024 -1.859 4.055 372 2HD1 LEU 52 2HD1 LEU 52 11.603 -2.573 3.650 373 3HD1 LEU 52 3HD1 LEU 52 10.896 -1.323 2.598 374 1HD2 LEU 52 1HD2 LEU 52 9.053 -5.035 3.228 375 2HD2 LEU 52 2HD2 LEU 52 10.641 -5.310 2.471 376 3HD2 LEU 52 3HD2 LEU 52 10.538 -4.530 4.068 377 H GLN 53 H GLN 53 9.525 -4.803 -0.569 378 HA GLN 53 HA GLN 53 8.687 -7.435 -0.190 379 1HB GLN 53 1HB GLN 53 10.918 -7.957 -1.361 380 2HB GLN 53 2HB GLN 53 9.793 -6.936 -2.235 381 1HG GLN 53 1HG GLN 53 11.688 -5.479 -0.443 382 2HG GLN 53 2HG GLN 53 12.435 -6.302 -1.799 383 2HE2 GLN 53 2HE2 GLN 53 11.147 -3.479 -0.801 384 1HE2 GLN 53 1HE2 GLN 53 10.652 -2.769 -2.301 385 H GLU 54 H GLU 54 8.647 -7.339 2.270 386 HA GLU 54 HA GLU 54 10.741 -6.984 3.879 387 1HB GLU 54 1HB GLU 54 9.556 -8.203 5.502 388 2HB GLU 54 2HB GLU 54 8.292 -7.739 4.380 389 1HG GLU 54 1HG GLU 54 8.682 -10.003 3.201 390 2HG GLU 54 2HG GLU 54 9.687 -10.444 4.568 391 H ALA 55 H ALA 55 12.800 -7.762 3.939 392 HA ALA 55 HA ALA 55 13.340 -10.525 3.849 393 1HB ALA 55 1HB ALA 55 14.211 -10.853 1.726 394 2HB ALA 55 2HB ALA 55 12.873 -9.739 1.354 395 3HB ALA 55 3HB ALA 55 14.538 -9.121 1.475 396 H GLU 56 H GLU 56 14.937 -7.441 2.752 397 HA GLU 56 HA GLU 56 16.728 -6.420 3.430 398 1HB GLU 56 1HB GLU 56 15.244 -6.700 5.682 399 2HB GLU 56 2HB GLU 56 16.675 -7.570 6.200 400 1HG GLU 56 1HG GLU 56 17.503 -5.138 4.850 401 2HG GLU 56 2HG GLU 56 16.297 -4.729 6.053 402 H CYS 57 H CYS 57 17.958 -7.883 1.976 403 HA CYS 57 HA CYS 57 19.832 -9.474 3.550 404 1HB CYS 57 1HB CYS 57 18.753 -10.394 0.883 405 2HB CYS 57 2HB CYS 57 19.845 -11.254 1.951 406 H THR 58 H THR 58 19.083 -8.320 0.170 407 HA THR 58 HA THR 58 21.903 -7.658 -0.172 408 HB THR 58 HB THR 58 20.446 -8.986 -1.857 409 HG1 THR 58 HG1 THR 58 21.662 -6.403 -2.551 410 1HG2 THR 58 1HG2 THR 58 18.678 -6.855 -1.604 411 2HG2 THR 58 2HG2 THR 58 19.616 -6.383 -3.042 412 3HG2 THR 58 3HG2 THR 58 18.749 -7.938 -3.015 413 H PHE 59 H PHE 59 22.719 -5.609 -0.529 414 HA PHE 59 HA PHE 59 22.831 -3.457 0.059 415 1HB PHE 59 1HB PHE 59 21.977 -3.537 -2.327 416 2HB PHE 59 2HB PHE 59 20.329 -3.556 -1.732 417 HD1 PHE 59 HD1 PHE 59 23.379 -1.483 -1.979 418 HD2 PHE 59 HD2 PHE 59 19.218 -1.545 -1.150 419 HE1 PHE 59 HE1 PHE 59 23.330 1.026 -2.037 420 HE2 PHE 59 HE2 PHE 59 19.169 0.964 -1.208 421 HZ PHE 59 HZ PHE 59 21.226 2.219 -1.650 No H/Q in entry = 421 Start of MODEL 70 1 H GLU 1 H GLU 1 3.120 -19.939 13.259 2 HA GLU 1 HA GLU 1 5.050 -18.145 13.091 3 1HB GLU 1 1HB GLU 1 5.842 -20.241 11.372 4 2HB GLU 1 2HB GLU 1 5.243 -18.996 10.294 5 1HG GLU 1 1HG GLU 1 7.230 -17.931 10.548 6 2HG GLU 1 2HG GLU 1 6.753 -17.564 12.194 7 H GLU 2 H GLU 2 4.234 -16.215 12.190 8 HA GLU 2 HA GLU 2 2.434 -16.127 10.111 9 1HB GLU 2 1HB GLU 2 0.992 -17.281 11.927 10 2HB GLU 2 2HB GLU 2 0.996 -15.741 12.763 11 1HG GLU 2 1HG GLU 2 0.186 -14.717 10.500 12 2HG GLU 2 2HG GLU 2 -0.145 -16.368 10.013 13 H TYR 3 H TYR 3 2.376 -14.011 9.379 14 HA TYR 3 HA TYR 3 4.043 -12.112 10.236 15 1HB TYR 3 1HB TYR 3 2.003 -12.408 8.381 16 2HB TYR 3 2HB TYR 3 1.243 -11.254 9.459 17 HD1 TYR 3 HD1 TYR 3 4.145 -11.801 7.215 18 HD2 TYR 3 HD2 TYR 3 1.906 -8.951 9.488 19 HE1 TYR 3 HE1 TYR 3 5.383 -9.901 6.065 20 HE2 TYR 3 HE2 TYR 3 3.152 -7.061 8.331 21 HH TYR 3 HH TYR 3 4.706 -7.347 5.578 22 H VAL 4 H VAL 4 3.714 -9.984 11.339 23 HA VAL 4 HA VAL 4 1.550 -9.571 13.065 24 HB VAL 4 HB VAL 4 2.614 -11.561 14.161 25 1HG1 VAL 4 1HG1 VAL 4 4.994 -10.285 13.661 26 2HG1 VAL 4 2HG1 VAL 4 4.744 -9.937 15.388 27 3HG1 VAL 4 3HG1 VAL 4 4.768 -11.621 14.814 28 1HG2 VAL 4 1HG2 VAL 4 2.171 -8.918 15.505 29 2HG2 VAL 4 2HG2 VAL 4 1.240 -10.430 15.621 30 3HG2 VAL 4 3HG2 VAL 4 2.798 -10.278 16.467 31 H GLY 5 H GLY 5 2.578 -7.927 11.218 32 1HA GLY 5 1HA GLY 5 4.672 -6.369 11.383 33 2HA GLY 5 2HA GLY 5 3.863 -5.863 12.853 34 H LEU 6 H LEU 6 2.244 -4.335 12.739 35 HA LEU 6 HA LEU 6 1.031 -3.896 10.111 36 1HB LEU 6 1HB LEU 6 -0.407 -2.386 11.860 37 2HB LEU 6 2HB LEU 6 -0.818 -4.002 11.319 38 HG LEU 6 HG LEU 6 -1.046 -3.798 13.732 39 1HD1 LEU 6 1HD1 LEU 6 0.386 -5.803 12.371 40 2HD1 LEU 6 2HD1 LEU 6 1.247 -5.533 13.905 41 3HD1 LEU 6 3HD1 LEU 6 -0.486 -5.936 13.916 42 1HD2 LEU 6 1HD2 LEU 6 1.753 -2.755 13.557 43 2HD2 LEU 6 2HD2 LEU 6 0.373 -2.186 14.528 44 3HD2 LEU 6 3HD2 LEU 6 1.255 -3.655 15.010 45 H SER 7 H SER 7 0.938 -1.388 12.563 46 HA SER 7 HA SER 7 1.484 0.733 12.321 47 1HB SER 7 1HB SER 7 4.178 0.878 12.129 48 2HB SER 7 2HB SER 7 3.358 0.396 13.601 49 HG SER 7 HG SER 7 4.168 -1.515 11.589 50 H ALA 8 H ALA 8 4.382 0.000 10.416 51 HA ALA 8 HA ALA 8 3.086 0.578 7.906 52 1HB ALA 8 1HB ALA 8 3.776 2.721 7.621 53 2HB ALA 8 2HB ALA 8 5.340 2.425 8.418 54 3HB ALA 8 3HB ALA 8 3.889 2.747 9.398 55 H ASN 9 H ASN 9 4.729 -1.527 9.434 56 HA ASN 9 HA ASN 9 7.299 -1.558 8.477 57 1HB ASN 9 1HB ASN 9 5.466 -3.381 9.807 58 2HB ASN 9 2HB ASN 9 6.298 -4.266 8.544 59 2HD2 ASN 9 2HD2 ASN 9 6.718 -2.189 11.358 60 1HD2 ASN 9 1HD2 ASN 9 8.305 -2.718 11.808 61 H GLN 10 H GLN 10 4.347 -3.329 7.254 62 HA GLN 10 HA GLN 10 5.594 -4.266 4.959 63 1HB GLN 10 1HB GLN 10 3.242 -4.724 4.182 64 2HB GLN 10 2HB GLN 10 3.584 -5.331 5.790 65 1HG GLN 10 1HG GLN 10 2.617 -2.569 5.920 66 2HG GLN 10 2HG GLN 10 1.486 -3.574 5.037 67 2HE2 GLN 10 2HE2 GLN 10 1.031 -5.747 6.037 68 1HE2 GLN 10 1HE2 GLN 10 0.780 -5.809 7.750 69 H CYS 11 H CYS 11 4.205 -1.149 5.806 70 HA CYS 11 HA CYS 11 4.493 -0.339 3.004 71 1HB CYS 11 1HB CYS 11 2.846 1.343 4.792 72 2HB CYS 11 2HB CYS 11 2.645 0.959 3.095 73 H ALA 12 H ALA 12 6.791 -0.503 4.515 74 HA ALA 12 HA ALA 12 7.211 2.241 5.480 75 1HB ALA 12 1HB ALA 12 9.350 0.537 6.253 76 2HB ALA 12 2HB ALA 12 8.087 1.242 7.290 77 3HB ALA 12 3HB ALA 12 7.846 -0.364 6.561 78 H VAL 13 H VAL 13 7.115 1.917 2.727 79 HA VAL 13 HA VAL 13 9.827 1.453 1.821 80 HB VAL 13 HB VAL 13 7.776 2.502 -0.025 81 1HG1 VAL 13 1HG1 VAL 13 10.037 0.591 -0.007 82 2HG1 VAL 13 2HG1 VAL 13 8.666 0.140 -1.049 83 3HG1 VAL 13 3HG1 VAL 13 9.481 1.706 -1.278 84 1HG2 VAL 13 1HG2 VAL 13 7.335 0.023 1.617 85 2HG2 VAL 13 2HG2 VAL 13 6.168 1.253 1.073 86 3HG2 VAL 13 3HG2 VAL 13 6.807 0.059 -0.083 87 HA PRO 14 HA PRO 14 10.881 5.645 1.886 88 1HB PRO 14 1HB PRO 14 12.947 5.684 0.097 89 2HB PRO 14 2HB PRO 14 13.127 5.153 1.757 90 1HG PRO 14 1HG PRO 14 13.016 3.525 -0.708 91 2HG PRO 14 2HG PRO 14 13.609 3.076 0.879 92 1HD PRO 14 1HD PRO 14 11.100 2.325 -0.291 93 2HD PRO 14 2HD PRO 14 11.645 1.973 1.337 94 H ALA 15 H ALA 15 9.147 4.315 -0.467 95 HA ALA 15 HA ALA 15 7.723 5.354 -1.861 96 1HB ALA 15 1HB ALA 15 8.689 7.534 -0.449 97 2HB ALA 15 2HB ALA 15 7.420 7.590 -1.695 98 3HB ALA 15 3HB ALA 15 9.110 7.939 -2.130 99 H LYS 16 H LYS 16 11.163 5.128 -2.074 100 HA LYS 16 HA LYS 16 11.111 5.533 -4.964 101 1HB LYS 16 1HB LYS 16 13.561 5.466 -4.791 102 2HB LYS 16 2HB LYS 16 12.862 6.704 -3.767 103 1HG LYS 16 1HG LYS 16 14.571 5.535 -2.483 104 2HG LYS 16 2HG LYS 16 13.007 5.129 -1.804 105 1HD LYS 16 1HD LYS 16 13.055 2.932 -2.624 106 2HD LYS 16 2HD LYS 16 14.098 3.339 -3.973 107 1HE LYS 16 1HE LYS 16 16.028 3.064 -2.745 108 2HE LYS 16 2HE LYS 16 15.338 3.777 -1.300 109 1HZ LYS 16 1HZ LYS 16 14.405 1.166 -2.200 110 2HZ LYS 16 2HZ LYS 16 15.805 1.282 -1.367 111 3HZ LYS 16 3HZ LYS 16 14.409 1.791 -0.691 112 H ASP 17 H ASP 17 10.138 3.164 -2.998 113 HA ASP 17 HA ASP 17 11.228 1.140 -4.783 114 1HB ASP 17 1HB ASP 17 11.585 1.343 -1.935 115 2HB ASP 17 2HB ASP 17 10.505 -0.007 -2.220 116 H ARG 18 H ARG 18 8.645 2.865 -4.443 117 HA ARG 18 HA ARG 18 6.675 1.062 -3.563 118 1HB ARG 18 1HB ARG 18 6.269 3.498 -5.362 119 2HB ARG 18 2HB ARG 18 5.085 2.770 -4.295 120 1HG ARG 18 1HG ARG 18 7.684 4.089 -3.374 121 2HG ARG 18 2HG ARG 18 6.106 4.851 -3.331 122 1HD ARG 18 1HD ARG 18 5.376 2.745 -1.922 123 2HD ARG 18 2HD ARG 18 7.094 2.486 -1.699 124 HE ARG 18 HE ARG 18 7.057 4.206 -0.134 125 1HH1 ARG 18 1HH1 ARG 18 4.485 4.781 -2.465 126 2HH1 ARG 18 2HH1 ARG 18 3.912 6.210 -1.673 127 1HH2 ARG 18 1HH2 ARG 18 6.302 6.092 0.912 128 2HH2 ARG 18 2HH2 ARG 18 4.953 6.961 0.261 129 H VAL 19 H VAL 19 5.819 -0.649 -4.707 130 HA VAL 19 HA VAL 19 6.539 -0.953 -7.470 131 HB VAL 19 HB VAL 19 4.814 -2.663 -5.668 132 1HG1 VAL 19 1HG1 VAL 19 6.059 -3.099 -8.385 133 2HG1 VAL 19 2HG1 VAL 19 5.669 -4.464 -7.311 134 3HG1 VAL 19 3HG1 VAL 19 4.379 -3.368 -7.862 135 1HG2 VAL 19 1HG2 VAL 19 7.765 -2.352 -5.916 136 2HG2 VAL 19 2HG2 VAL 19 6.772 -2.831 -4.519 137 3HG2 VAL 19 3HG2 VAL 19 7.137 -4.013 -5.798 138 H ASP 20 H ASP 20 4.066 0.642 -5.735 139 HA ASP 20 HA ASP 20 2.184 1.554 -6.301 140 1HB ASP 20 1HB ASP 20 3.220 2.615 -8.166 141 2HB ASP 20 2HB ASP 20 3.387 1.110 -9.048 142 H CYS 21 H CYS 21 0.403 0.284 -5.729 143 HA CYS 21 HA CYS 21 0.018 -2.286 -6.850 144 1HB CYS 21 1HB CYS 21 -0.781 -1.017 -4.555 145 2HB CYS 21 2HB CYS 21 -2.270 -1.044 -5.479 146 H GLY 22 H GLY 22 -0.668 0.953 -7.835 147 1HA GLY 22 1HA GLY 22 -1.837 0.222 -10.261 148 2HA GLY 22 2HA GLY 22 -1.829 1.824 -9.550 149 H TYR 23 H TYR 23 -3.534 2.361 -7.906 150 HA TYR 23 HA TYR 23 -6.034 1.100 -8.703 151 1HB TYR 23 1HB TYR 23 -4.663 0.351 -6.392 152 2HB TYR 23 2HB TYR 23 -5.587 1.707 -5.778 153 HD1 TYR 23 HD1 TYR 23 -6.586 -0.845 -8.328 154 HD2 TYR 23 HD2 TYR 23 -7.219 0.738 -4.404 155 HE1 TYR 23 HE1 TYR 23 -8.614 -2.350 -8.040 156 HE2 TYR 23 HE2 TYR 23 -9.245 -0.772 -4.129 157 HH TYR 23 HH TYR 23 -10.425 -2.712 -6.819 158 HA PRO 24 HA PRO 24 -7.317 5.227 -8.440 159 1HB PRO 24 1HB PRO 24 -10.031 4.908 -8.505 160 2HB PRO 24 2HB PRO 24 -9.026 4.861 -9.940 161 1HG PRO 24 1HG PRO 24 -10.313 2.620 -8.504 162 2HG PRO 24 2HG PRO 24 -9.679 2.658 -10.137 163 1HD PRO 24 1HD PRO 24 -8.443 1.460 -7.842 164 2HD PRO 24 2HD PRO 24 -7.757 1.600 -9.449 165 H HIS 25 H HIS 25 -10.068 3.941 -6.739 166 HA HIS 25 HA HIS 25 -9.894 5.860 -4.755 167 1HB HIS 25 1HB HIS 25 -11.498 4.343 -3.532 168 2HB HIS 25 2HB HIS 25 -11.978 4.840 -5.142 169 HD1 HIS 25 HD1 HIS 25 -13.553 2.721 -5.255 170 HD2 HIS 25 HD2 HIS 25 -9.455 1.870 -4.977 171 HE1 HIS 25 HE1 HIS 25 -13.293 0.254 -5.855 172 HE2 HIS 25 HE2 HIS 25 -10.748 -0.196 -5.720 173 H VAL 26 H VAL 26 -7.702 5.953 -4.006 174 HA VAL 26 HA VAL 26 -6.956 3.645 -2.347 175 HB VAL 26 HB VAL 26 -4.634 4.441 -2.648 176 1HG1 VAL 26 1HG1 VAL 26 -6.277 3.650 -5.058 177 2HG1 VAL 26 2HG1 VAL 26 -4.507 3.824 -5.144 178 3HG1 VAL 26 3HG1 VAL 26 -5.232 2.636 -4.034 179 1HG2 VAL 26 1HG2 VAL 26 -5.934 6.739 -3.743 180 2HG2 VAL 26 2HG2 VAL 26 -4.196 6.465 -3.468 181 3HG2 VAL 26 3HG2 VAL 26 -4.936 6.002 -5.020 182 H THR 27 H THR 27 -7.156 3.987 -0.200 183 HA THR 27 HA THR 27 -6.609 6.688 0.797 184 HB THR 27 HB THR 27 -8.700 6.843 1.880 185 HG1 THR 27 HG1 THR 27 -9.764 4.898 2.520 186 1HG2 THR 27 1HG2 THR 27 -9.286 5.028 -0.520 187 2HG2 THR 27 2HG2 THR 27 -10.507 5.972 0.368 188 3HG2 THR 27 3HG2 THR 27 -9.233 6.807 -0.553 189 HA PRO 28 HA PRO 28 -4.616 4.679 4.028 190 1HB PRO 28 1HB PRO 28 -5.285 6.061 6.290 191 2HB PRO 28 2HB PRO 28 -4.108 6.638 5.127 192 1HG PRO 28 1HG PRO 28 -6.883 7.556 5.565 193 2HG PRO 28 2HG PRO 28 -5.575 8.373 4.732 194 1HD PRO 28 1HD PRO 28 -7.795 7.015 3.526 195 2HD PRO 28 2HD PRO 28 -6.428 7.731 2.696 196 H LYS 29 H LYS 29 -7.044 3.413 3.238 197 HA LYS 29 HA LYS 29 -7.207 1.562 5.318 198 1HB LYS 29 1HB LYS 29 -8.469 3.669 6.246 199 2HB LYS 29 2HB LYS 29 -9.762 3.139 5.189 200 1HG LYS 29 1HG LYS 29 -8.403 1.337 7.248 201 2HG LYS 29 2HG LYS 29 -9.895 2.208 7.547 202 1HD LYS 29 1HD LYS 29 -10.594 0.990 5.220 203 2HD LYS 29 2HD LYS 29 -9.401 -0.169 5.774 204 1HE LYS 29 1HE LYS 29 -10.597 -0.422 7.931 205 2HE LYS 29 2HE LYS 29 -11.748 0.816 7.468 206 1HZ LYS 29 1HZ LYS 29 -11.348 -1.599 5.858 207 2HZ LYS 29 2HZ LYS 29 -12.424 -1.541 7.085 208 3HZ LYS 29 3HZ LYS 29 -12.598 -0.549 5.799 209 H GLU 30 H GLU 30 -8.775 3.199 2.534 210 HA GLU 30 HA GLU 30 -10.144 0.835 1.776 211 1HB GLU 30 1HB GLU 30 -10.561 3.455 1.255 212 2HB GLU 30 2HB GLU 30 -9.658 3.051 -0.192 213 1HG GLU 30 1HG GLU 30 -11.933 2.649 -0.779 214 2HG GLU 30 2HG GLU 30 -11.269 1.054 -0.485 215 H CYS 31 H CYS 31 -7.075 2.479 0.928 216 HA CYS 31 HA CYS 31 -6.561 0.787 -1.294 217 1HB CYS 31 1HB CYS 31 -5.475 2.778 -1.533 218 2HB CYS 31 2HB CYS 31 -5.112 2.929 0.174 219 H ASN 32 H ASN 32 -6.100 0.725 2.215 220 HA ASN 32 HA ASN 32 -4.243 -1.472 1.982 221 1HB ASN 32 1HB ASN 32 -3.576 -0.909 4.121 222 2HB ASN 32 2HB ASN 32 -4.394 0.603 3.782 223 2HD2 ASN 32 2HD2 ASN 32 -3.969 -1.376 6.152 224 1HD2 ASN 32 1HD2 ASN 32 -5.518 -1.442 6.925 225 H ASN 33 H ASN 33 -7.505 -1.083 1.701 226 HA ASN 33 HA ASN 33 -8.207 -3.284 3.447 227 1HB ASN 33 1HB ASN 33 -9.798 -1.515 3.655 228 2HB ASN 33 2HB ASN 33 -9.773 -1.160 1.939 229 2HD2 ASN 33 2HD2 ASN 33 -12.106 -1.236 2.226 230 1HD2 ASN 33 1HD2 ASN 33 -12.944 -2.747 2.095 231 H ARG 34 H ARG 34 -8.252 -2.137 0.015 232 HA ARG 34 HA ARG 34 -9.562 -4.262 -1.090 233 1HB ARG 34 1HB ARG 34 -8.560 -1.968 -2.080 234 2HB ARG 34 2HB ARG 34 -7.238 -3.010 -2.568 235 1HG ARG 34 1HG ARG 34 -10.135 -3.088 -3.440 236 2HG ARG 34 2HG ARG 34 -8.689 -3.099 -4.431 237 1HD ARG 34 1HD ARG 34 -8.158 -5.413 -3.642 238 2HD ARG 34 2HD ARG 34 -9.589 -5.403 -2.631 239 HE ARG 34 HE ARG 34 -9.507 -5.769 -5.530 240 1HH1 ARG 34 1HH1 ARG 34 -11.516 -4.742 -2.831 241 2HH1 ARG 34 2HH1 ARG 34 -13.007 -5.061 -3.653 242 1HH2 ARG 34 1HH2 ARG 34 -11.473 -6.191 -6.616 243 2HH2 ARG 34 2HH2 ARG 34 -12.982 -5.891 -5.820 244 H GLY 35 H GLY 35 -6.172 -3.886 -0.034 245 1HA GLY 35 1HA GLY 35 -5.602 -6.632 -0.977 246 2HA GLY 35 2HA GLY 35 -5.214 -6.090 0.644 247 H CYS 36 H CYS 36 -3.804 -4.020 0.787 248 HA CYS 36 HA CYS 36 -1.422 -4.493 -0.510 249 1HB CYS 36 1HB CYS 36 -3.212 -3.178 -2.238 250 2HB CYS 36 2HB CYS 36 -2.103 -1.941 -1.682 251 H CYS 37 H CYS 37 -0.562 -1.656 -0.626 252 HA CYS 37 HA CYS 37 -1.035 -0.919 2.171 253 1HB CYS 37 1HB CYS 37 1.515 -1.190 0.646 254 2HB CYS 37 2HB CYS 37 1.390 0.116 1.807 255 H PHE 38 H PHE 38 -1.098 1.408 2.566 256 HA PHE 38 HA PHE 38 -1.480 2.945 0.093 257 1HB PHE 38 1HB PHE 38 -3.572 2.604 1.376 258 2HB PHE 38 2HB PHE 38 -2.767 3.000 2.882 259 HD1 PHE 38 HD1 PHE 38 -4.029 4.408 -0.286 260 HD2 PHE 38 HD2 PHE 38 -2.525 5.261 3.590 261 HE1 PHE 38 HE1 PHE 38 -4.733 6.804 -0.539 262 HE2 PHE 38 HE2 PHE 38 -3.229 7.657 3.336 263 HZ PHE 38 HZ PHE 38 -4.325 8.400 1.274 264 H ASP 39 H ASP 39 -1.334 5.461 0.670 265 HA ASP 39 HA ASP 39 0.290 6.236 2.761 266 1HB ASP 39 1HB ASP 39 2.135 5.082 1.711 267 2HB ASP 39 2HB ASP 39 1.696 5.674 0.121 268 H SER 40 H SER 40 0.441 8.582 2.747 269 HA SER 40 HA SER 40 -0.523 9.841 0.309 270 1HB SER 40 1HB SER 40 -1.966 11.344 1.636 271 2HB SER 40 2HB SER 40 -2.435 9.670 1.860 272 HG SER 40 HG SER 40 -2.263 10.132 3.948 273 H ARG 41 H ARG 41 2.105 9.413 2.011 274 HA ARG 41 HA ARG 41 2.827 11.790 3.138 275 1HB ARG 41 1HB ARG 41 4.033 9.369 2.817 276 2HB ARG 41 2HB ARG 41 4.920 10.265 1.601 277 1HG ARG 41 1HG ARG 41 4.859 12.005 3.825 278 2HG ARG 41 2HG ARG 41 5.108 10.420 4.531 279 1HD ARG 41 1HD ARG 41 7.242 10.275 3.724 280 2HD ARG 41 2HD ARG 41 6.764 10.806 2.124 281 HE ARG 41 HE ARG 41 6.778 12.955 4.127 282 1HH1 ARG 41 1HH1 ARG 41 8.675 11.202 1.738 283 2HH1 ARG 41 2HH1 ARG 41 9.828 12.478 1.530 284 1HH2 ARG 41 1HH2 ARG 41 8.299 14.639 3.852 285 2HH2 ARG 41 2HH2 ARG 41 9.612 14.446 2.741 286 H ILE 42 H ILE 42 3.451 10.576 -0.239 287 HA ILE 42 HA ILE 42 3.423 13.341 -1.144 288 HB ILE 42 HB ILE 42 5.488 12.344 -2.616 289 1HG1 ILE 42 1HG1 ILE 42 7.123 11.416 -0.997 290 2HG1 ILE 42 2HG1 ILE 42 5.862 11.325 0.216 291 1HG2 ILE 42 1HG2 ILE 42 5.471 14.035 -0.110 292 2HG2 ILE 42 2HG2 ILE 42 6.921 13.793 -1.113 293 3HG2 ILE 42 3HG2 ILE 42 5.477 14.568 -1.808 294 1HD1 ILE 42 1HD1 ILE 42 5.071 10.087 -2.351 295 2HD1 ILE 42 2HD1 ILE 42 6.487 9.316 -1.596 296 3HD1 ILE 42 3HD1 ILE 42 4.956 9.442 -0.696 297 HA PRO 43 HA PRO 43 1.118 11.393 -4.244 298 1HB PRO 43 1HB PRO 43 0.848 13.485 -5.983 299 2HB PRO 43 2HB PRO 43 -0.162 13.281 -4.565 300 1HG PRO 43 1HG PRO 43 2.065 15.176 -4.998 301 2HG PRO 43 2HG PRO 43 0.793 15.234 -3.794 302 1HD PRO 43 1HD PRO 43 3.518 14.442 -3.375 303 2HD PRO 43 2HD PRO 43 2.219 14.389 -2.200 304 H GLY 44 H GLY 44 4.008 13.138 -5.149 305 1HA GLY 44 1HA GLY 44 5.706 12.421 -6.472 306 2HA GLY 44 2HA GLY 44 4.448 12.426 -7.691 307 H VAL 45 H VAL 45 4.679 10.243 -4.825 308 HA VAL 45 HA VAL 45 5.417 8.050 -6.597 309 HB VAL 45 HB VAL 45 6.246 6.994 -4.760 310 1HG1 VAL 45 1HG1 VAL 45 7.438 9.126 -5.012 311 2HG1 VAL 45 2HG1 VAL 45 6.311 9.899 -3.871 312 3HG1 VAL 45 3HG1 VAL 45 7.400 8.606 -3.310 313 1HG2 VAL 45 1HG2 VAL 45 4.215 8.490 -3.072 314 2HG2 VAL 45 2HG2 VAL 45 4.212 6.761 -3.494 315 3HG2 VAL 45 3HG2 VAL 45 5.467 7.411 -2.412 316 HA PRO 46 HA PRO 46 1.493 6.242 -6.458 317 1HB PRO 46 1HB PRO 46 1.959 3.564 -6.171 318 2HB PRO 46 2HB PRO 46 2.147 4.412 -7.694 319 1HG PRO 46 1HG PRO 46 4.238 3.437 -5.845 320 2HG PRO 46 2HG PRO 46 4.388 3.891 -7.531 321 1HD PRO 46 1HD PRO 46 5.198 5.441 -5.257 322 2HD PRO 46 2HD PRO 46 5.241 5.942 -6.936 323 H TRP 47 H TRP 47 0.662 7.346 -4.640 324 HA TRP 47 HA TRP 47 0.956 6.953 -2.092 325 1HB TRP 47 1HB TRP 47 -1.527 7.223 -3.716 326 2HB TRP 47 2HB TRP 47 -1.704 6.859 -2.011 327 HD1 TRP 47 HD1 TRP 47 1.172 9.166 -3.110 328 HE1 TRP 47 HE1 TRP 47 0.803 11.636 -2.255 329 HE3 TRP 47 HE3 TRP 47 -3.559 8.426 -1.398 330 HZ2 TRP 47 HZ2 TRP 47 -1.377 12.972 -0.987 331 HZ3 TRP 47 HZ3 TRP 47 -4.737 10.365 -0.365 332 HH2 TRP 47 HH2 TRP 47 -3.722 12.577 -0.146 333 H CYS 48 H CYS 48 -1.097 4.695 -4.082 334 HA CYS 48 HA CYS 48 -0.958 2.765 -1.936 335 1HB CYS 48 1HB CYS 48 -3.043 3.353 -3.337 336 2HB CYS 48 2HB CYS 48 -2.319 2.367 -4.592 337 H PHE 49 H PHE 49 0.673 1.258 -1.881 338 HA PHE 49 HA PHE 49 1.718 0.305 -4.427 339 1HB PHE 49 1HB PHE 49 4.048 0.532 -3.267 340 2HB PHE 49 2HB PHE 49 3.315 2.029 -3.809 341 HD1 PHE 49 HD1 PHE 49 3.617 -0.131 -0.789 342 HD2 PHE 49 HD2 PHE 49 3.053 3.790 -2.313 343 HE1 PHE 49 HE1 PHE 49 3.799 0.799 1.535 344 HE2 PHE 49 HE2 PHE 49 3.235 4.719 0.011 345 HZ PHE 49 HZ PHE 49 3.606 3.213 1.908 346 H LYS 50 H LYS 50 3.150 -1.683 -4.086 347 HA LYS 50 HA LYS 50 1.758 -3.492 -2.430 348 1HB LYS 50 1HB LYS 50 4.434 -3.907 -3.786 349 2HB LYS 50 2HB LYS 50 3.292 -5.137 -3.283 350 1HG LYS 50 1HG LYS 50 1.588 -4.116 -4.875 351 2HG LYS 50 2HG LYS 50 2.838 -3.028 -5.445 352 1HD LYS 50 1HD LYS 50 3.146 -4.709 -6.999 353 2HD LYS 50 2HD LYS 50 4.200 -5.339 -5.749 354 1HE LYS 50 1HE LYS 50 2.648 -6.979 -5.065 355 2HE LYS 50 2HE LYS 50 1.269 -6.078 -5.664 356 1HZ LYS 50 1HZ LYS 50 3.201 -6.890 -7.641 357 2HZ LYS 50 2HZ LYS 50 2.331 -8.092 -6.959 358 3HZ LYS 50 3HZ LYS 50 1.570 -6.867 -7.725 359 HA PRO 51 HA PRO 51 4.057 -3.329 1.219 360 1HB PRO 51 1HB PRO 51 4.175 -5.928 2.054 361 2HB PRO 51 2HB PRO 51 2.753 -4.923 2.249 362 1HG PRO 51 1HG PRO 51 3.228 -7.106 0.314 363 2HG PRO 51 2HG PRO 51 1.707 -6.389 0.808 364 1HD PRO 51 1HD PRO 51 3.109 -5.915 -1.649 365 2HD PRO 51 2HD PRO 51 1.650 -5.113 -1.103 366 H LEU 52 H LEU 52 6.091 -2.791 1.686 367 HA LEU 52 HA LEU 52 8.164 -3.219 0.097 368 1HB LEU 52 1HB LEU 52 8.429 -1.801 1.928 369 2HB LEU 52 2HB LEU 52 8.005 -3.045 3.088 370 HG LEU 52 HG LEU 52 10.536 -3.116 1.428 371 1HD1 LEU 52 1HD1 LEU 52 9.969 -1.806 4.074 372 2HD1 LEU 52 2HD1 LEU 52 11.584 -2.459 3.709 373 3HD1 LEU 52 3HD1 LEU 52 10.881 -1.192 2.674 374 1HD2 LEU 52 1HD2 LEU 52 9.259 -4.995 3.194 375 2HD2 LEU 52 2HD2 LEU 52 10.742 -5.174 2.226 376 3HD2 LEU 52 3HD2 LEU 52 10.829 -4.495 3.869 377 H GLN 53 H GLN 53 9.515 -4.834 -0.581 378 HA GLN 53 HA GLN 53 8.706 -7.452 -0.164 379 1HB GLN 53 1HB GLN 53 11.031 -7.944 -1.242 380 2HB GLN 53 2HB GLN 53 9.844 -7.065 -2.184 381 1HG GLN 53 1HG GLN 53 11.540 -5.315 -0.487 382 2HG GLN 53 2HG GLN 53 12.446 -6.217 -1.686 383 2HE2 GLN 53 2HE2 GLN 53 10.935 -3.404 -1.121 384 1HE2 GLN 53 1HE2 GLN 53 10.480 -2.914 -2.719 385 H GLU 54 H GLU 54 8.603 -7.538 2.236 386 HA GLU 54 HA GLU 54 10.596 -7.092 3.954 387 1HB GLU 54 1HB GLU 54 9.437 -8.462 5.475 388 2HB GLU 54 2HB GLU 54 8.191 -8.027 4.322 389 1HG GLU 54 1HG GLU 54 7.881 -10.344 4.461 390 2HG GLU 54 2HG GLU 54 8.932 -10.232 3.064 391 H ALA 55 H ALA 55 12.671 -7.798 4.221 392 HA ALA 55 HA ALA 55 13.354 -10.530 3.837 393 1HB ALA 55 1HB ALA 55 13.917 -10.479 1.663 394 2HB ALA 55 2HB ALA 55 15.165 -9.273 2.056 395 3HB ALA 55 3HB ALA 55 13.539 -8.742 1.565 396 H GLU 56 H GLU 56 15.441 -10.991 4.734 397 HA GLU 56 HA GLU 56 16.415 -8.757 6.309 398 1HB GLU 56 1HB GLU 56 15.694 -10.911 7.435 399 2HB GLU 56 2HB GLU 56 17.018 -11.729 6.631 400 1HG GLU 56 1HG GLU 56 18.003 -9.304 7.917 401 2HG GLU 56 2HG GLU 56 17.111 -10.265 9.079 402 H CYS 57 H CYS 57 17.858 -7.640 4.984 403 HA CYS 57 HA CYS 57 19.921 -9.261 3.697 404 1HB CYS 57 1HB CYS 57 18.836 -6.511 3.117 405 2HB CYS 57 2HB CYS 57 20.383 -7.038 2.486 406 H THR 58 H THR 58 22.167 -8.088 3.692 407 HA THR 58 HA THR 58 22.938 -7.680 6.370 408 HB THR 58 HB THR 58 24.285 -8.591 4.352 409 HG1 THR 58 HG1 THR 58 25.187 -6.363 6.038 410 1HG2 THR 58 1HG2 THR 58 23.727 -6.288 3.060 411 2HG2 THR 58 2HG2 THR 58 25.150 -5.723 3.967 412 3HG2 THR 58 3HG2 THR 58 25.297 -7.101 2.850 413 H PHE 59 H PHE 59 23.656 -5.835 7.488 414 HA PHE 59 HA PHE 59 23.381 -3.761 8.200 415 1HB PHE 59 1HB PHE 59 24.314 -3.695 5.355 416 2HB PHE 59 2HB PHE 59 23.614 -2.177 5.883 417 HD1 PHE 59 HD1 PHE 59 24.683 -0.856 7.635 418 HD2 PHE 59 HD2 PHE 59 26.397 -4.501 6.299 419 HE1 PHE 59 HE1 PHE 59 26.851 -0.241 8.740 420 HE2 PHE 59 HE2 PHE 59 28.566 -3.886 7.405 421 HZ PHE 59 HZ PHE 59 28.766 -1.763 8.612 No H/Q in entry = 421 Start of MODEL 71 1 H GLU 1 H GLU 1 0.406 -14.415 18.696 2 HA GLU 1 HA GLU 1 1.691 -15.112 16.229 3 1HB GLU 1 1HB GLU 1 -0.830 -13.560 16.927 4 2HB GLU 1 2HB GLU 1 -0.241 -13.674 15.280 5 1HG GLU 1 1HG GLU 1 -0.303 -16.184 15.452 6 2HG GLU 1 2HG GLU 1 -0.942 -16.044 17.078 7 H GLU 2 H GLU 2 2.062 -13.289 14.552 8 HA GLU 2 HA GLU 2 2.741 -10.780 15.788 9 1HB GLU 2 1HB GLU 2 4.729 -12.808 15.143 10 2HB GLU 2 2HB GLU 2 4.996 -11.382 14.160 11 1HG GLU 2 1HG GLU 2 5.448 -10.016 15.996 12 2HG GLU 2 2HG GLU 2 4.407 -10.925 17.073 13 H TYR 3 H TYR 3 3.457 -9.141 14.033 14 HA TYR 3 HA TYR 3 2.893 -8.037 12.193 15 1HB TYR 3 1HB TYR 3 4.465 -9.592 11.134 16 2HB TYR 3 2HB TYR 3 3.334 -10.925 11.258 17 HD1 TYR 3 HD1 TYR 3 3.950 -7.703 9.489 18 HD2 TYR 3 HD2 TYR 3 1.837 -11.423 9.490 19 HE1 TYR 3 HE1 TYR 3 3.161 -7.264 7.112 20 HE2 TYR 3 HE2 TYR 3 1.055 -10.972 7.113 21 HH TYR 3 HH TYR 3 2.436 -8.904 5.126 22 H VAL 4 H VAL 4 0.842 -7.216 12.244 23 HA VAL 4 HA VAL 4 -1.147 -8.315 10.668 24 HB VAL 4 HB VAL 4 -1.405 -10.087 12.213 25 1HG1 VAL 4 1HG1 VAL 4 -0.334 -8.429 14.101 26 2HG1 VAL 4 2HG1 VAL 4 -2.040 -8.476 14.608 27 3HG1 VAL 4 3HG1 VAL 4 -1.116 -9.989 14.450 28 1HG2 VAL 4 1HG2 VAL 4 -3.477 -7.985 12.095 29 2HG2 VAL 4 2HG2 VAL 4 -3.577 -9.723 11.725 30 3HG2 VAL 4 3HG2 VAL 4 -3.683 -9.165 13.411 31 H GLY 5 H GLY 5 -1.189 -6.139 9.979 32 1HA GLY 5 1HA GLY 5 -2.968 -4.451 11.401 33 2HA GLY 5 2HA GLY 5 -2.056 -4.060 9.957 34 H LEU 6 H LEU 6 0.361 -5.147 11.871 35 HA LEU 6 HA LEU 6 0.668 -3.280 13.886 36 1HB LEU 6 1HB LEU 6 2.913 -3.987 13.994 37 2HB LEU 6 2HB LEU 6 1.940 -5.384 13.576 38 HG LEU 6 HG LEU 6 3.837 -5.590 12.241 39 1HD1 LEU 6 1HD1 LEU 6 1.748 -4.221 10.527 40 2HD1 LEU 6 2HD1 LEU 6 3.095 -5.211 9.915 41 3HD1 LEU 6 3HD1 LEU 6 1.835 -5.952 10.932 42 1HD2 LEU 6 1HD2 LEU 6 4.462 -3.097 12.725 43 2HD2 LEU 6 2HD2 LEU 6 5.099 -3.919 11.281 44 3HD2 LEU 6 3HD2 LEU 6 3.718 -2.805 11.135 45 H SER 7 H SER 7 3.129 -1.970 13.458 46 HA SER 7 HA SER 7 2.339 0.394 12.466 47 1HB SER 7 1HB SER 7 4.746 0.966 12.283 48 2HB SER 7 2HB SER 7 4.407 0.079 13.756 49 HG SER 7 HG SER 7 5.992 -1.204 13.095 50 H ALA 8 H ALA 8 4.042 1.363 10.473 51 HA ALA 8 HA ALA 8 2.856 0.136 8.142 52 1HB ALA 8 1HB ALA 8 3.645 2.122 7.003 53 2HB ALA 8 2HB ALA 8 4.701 2.545 8.371 54 3HB ALA 8 3HB ALA 8 2.932 2.621 8.555 55 H ASN 9 H ASN 9 4.633 -1.623 9.482 56 HA ASN 9 HA ASN 9 7.230 -1.470 8.584 57 1HB ASN 9 1HB ASN 9 6.633 -3.039 10.347 58 2HB ASN 9 2HB ASN 9 5.443 -3.832 9.334 59 2HD2 ASN 9 2HD2 ASN 9 8.403 -4.137 10.633 60 1HD2 ASN 9 1HD2 ASN 9 9.176 -5.209 9.513 61 H GLN 10 H GLN 10 4.283 -3.134 7.262 62 HA GLN 10 HA GLN 10 5.666 -4.183 5.044 63 1HB GLN 10 1HB GLN 10 3.346 -4.737 4.226 64 2HB GLN 10 2HB GLN 10 3.685 -5.318 5.845 65 1HG GLN 10 1HG GLN 10 2.652 -2.648 6.111 66 2HG GLN 10 2HG GLN 10 1.610 -3.489 4.979 67 2HE2 GLN 10 2HE2 GLN 10 1.566 -2.623 7.944 68 1HE2 GLN 10 1HE2 GLN 10 0.923 -3.994 8.785 69 H CYS 11 H CYS 11 4.119 -1.117 5.814 70 HA CYS 11 HA CYS 11 4.402 -0.341 3.002 71 1HB CYS 11 1HB CYS 11 2.730 1.304 4.821 72 2HB CYS 11 2HB CYS 11 2.551 0.972 3.109 73 H ALA 12 H ALA 12 6.702 -0.452 4.565 74 HA ALA 12 HA ALA 12 7.089 2.331 5.424 75 1HB ALA 12 1HB ALA 12 9.242 0.737 6.305 76 2HB ALA 12 2HB ALA 12 7.903 1.375 7.289 77 3HB ALA 12 3HB ALA 12 7.785 -0.250 6.571 78 H VAL 13 H VAL 13 7.026 1.972 2.699 79 HA VAL 13 HA VAL 13 9.738 1.455 1.816 80 HB VAL 13 HB VAL 13 7.719 2.499 -0.064 81 1HG1 VAL 13 1HG1 VAL 13 9.964 0.589 0.006 82 2HG1 VAL 13 2HG1 VAL 13 8.584 0.066 -0.990 83 3HG1 VAL 13 3HG1 VAL 13 9.376 1.626 -1.316 84 1HG2 VAL 13 1HG2 VAL 13 7.235 0.020 1.581 85 2HG2 VAL 13 2HG2 VAL 13 6.097 1.306 1.113 86 3HG2 VAL 13 3HG2 VAL 13 6.654 0.126 -0.098 87 HA PRO 14 HA PRO 14 10.846 5.633 1.812 88 1HB PRO 14 1HB PRO 14 12.916 5.617 0.027 89 2HB PRO 14 2HB PRO 14 13.086 5.110 1.696 90 1HG PRO 14 1HG PRO 14 12.958 3.444 -0.743 91 2HG PRO 14 2HG PRO 14 13.542 3.013 0.852 92 1HD PRO 14 1HD PRO 14 11.026 2.276 -0.311 93 2HD PRO 14 2HD PRO 14 11.563 1.943 1.324 94 H ALA 15 H ALA 15 9.137 4.267 -0.559 95 HA ALA 15 HA ALA 15 7.707 5.328 -1.945 96 1HB ALA 15 1HB ALA 15 9.353 7.839 -2.070 97 2HB ALA 15 2HB ALA 15 7.586 7.634 -2.111 98 3HB ALA 15 3HB ALA 15 8.464 7.477 -0.571 99 H LYS 16 H LYS 16 11.164 5.079 -2.175 100 HA LYS 16 HA LYS 16 11.094 5.363 -5.073 101 1HB LYS 16 1HB LYS 16 13.546 5.228 -4.907 102 2HB LYS 16 2HB LYS 16 12.883 6.523 -3.932 103 1HG LYS 16 1HG LYS 16 14.564 5.356 -2.607 104 2HG LYS 16 2HG LYS 16 12.991 5.027 -1.909 105 1HD LYS 16 1HD LYS 16 12.953 2.800 -2.682 106 2HD LYS 16 2HD LYS 16 14.064 3.124 -3.998 107 1HE LYS 16 1HE LYS 16 15.967 3.091 -2.584 108 2HE LYS 16 2HE LYS 16 15.030 3.434 -1.143 109 1HZ LYS 16 1HZ LYS 16 13.963 1.140 -1.910 110 2HZ LYS 16 2HZ LYS 16 15.489 0.924 -2.449 111 3HZ LYS 16 3HZ LYS 16 15.218 1.244 -0.871 112 H ASP 17 H ASP 17 9.957 3.100 -3.156 113 HA ASP 17 HA ASP 17 11.040 0.990 -4.835 114 1HB ASP 17 1HB ASP 17 11.299 1.248 -1.960 115 2HB ASP 17 2HB ASP 17 10.258 -0.121 -2.295 116 H ARG 18 H ARG 18 8.502 2.826 -4.499 117 HA ARG 18 HA ARG 18 6.479 1.041 -3.675 118 1HB ARG 18 1HB ARG 18 6.104 3.555 -5.365 119 2HB ARG 18 2HB ARG 18 4.942 2.828 -4.273 120 1HG ARG 18 1HG ARG 18 7.614 4.029 -3.403 121 2HG ARG 18 2HG ARG 18 6.076 4.863 -3.310 122 1HD ARG 18 1HD ARG 18 5.307 2.710 -1.945 123 2HD ARG 18 2HD ARG 18 7.027 2.468 -1.715 124 HE ARG 18 HE ARG 18 6.954 4.169 -0.131 125 1HH1 ARG 18 1HH1 ARG 18 4.420 4.761 -2.499 126 2HH1 ARG 18 2HH1 ARG 18 3.835 6.186 -1.706 127 1HH2 ARG 18 1HH2 ARG 18 6.183 6.048 0.916 128 2HH2 ARG 18 2HH2 ARG 18 4.844 6.923 0.250 129 H VAL 19 H VAL 19 6.371 -0.835 -4.961 130 HA VAL 19 HA VAL 19 6.780 -0.840 -7.729 131 HB VAL 19 HB VAL 19 5.289 -2.772 -5.941 132 1HG1 VAL 19 1HG1 VAL 19 6.458 -3.156 -8.719 133 2HG1 VAL 19 2HG1 VAL 19 5.793 -4.447 -7.691 134 3HG1 VAL 19 3HG1 VAL 19 4.732 -3.148 -8.285 135 1HG2 VAL 19 1HG2 VAL 19 7.946 -2.053 -5.794 136 2HG2 VAL 19 2HG2 VAL 19 7.257 -3.595 -5.234 137 3HG2 VAL 19 3HG2 VAL 19 7.991 -3.484 -6.851 138 H ASP 20 H ASP 20 4.191 0.365 -5.814 139 HA ASP 20 HA ASP 20 2.212 1.121 -6.269 140 1HB ASP 20 1HB ASP 20 3.129 2.519 -7.968 141 2HB ASP 20 2HB ASP 20 3.450 1.167 -9.036 142 H CYS 21 H CYS 21 0.504 -0.318 -5.950 143 HA CYS 21 HA CYS 21 0.389 -2.715 -7.534 144 1HB CYS 21 1HB CYS 21 -1.870 -2.715 -5.979 145 2HB CYS 21 2HB CYS 21 -0.334 -3.454 -5.574 146 H GLY 22 H GLY 22 -0.715 0.539 -7.690 147 1HA GLY 22 1HA GLY 22 -2.238 0.071 -10.042 148 2HA GLY 22 2HA GLY 22 -2.037 1.587 -9.186 149 H TYR 23 H TYR 23 -3.673 2.359 -7.847 150 HA TYR 23 HA TYR 23 -6.097 0.730 -7.814 151 1HB TYR 23 1HB TYR 23 -4.412 1.857 -5.536 152 2HB TYR 23 2HB TYR 23 -6.152 1.841 -5.322 153 HD1 TYR 23 HD1 TYR 23 -7.368 -0.430 -5.606 154 HD2 TYR 23 HD2 TYR 23 -3.137 -0.068 -5.082 155 HE1 TYR 23 HE1 TYR 23 -7.246 -2.855 -4.854 156 HE2 TYR 23 HE2 TYR 23 -3.030 -2.494 -4.331 157 HH TYR 23 HH TYR 23 -4.122 -4.321 -3.993 158 HA PRO 24 HA PRO 24 -7.832 4.596 -8.716 159 1HB PRO 24 1HB PRO 24 -10.477 4.039 -8.314 160 2HB PRO 24 2HB PRO 24 -9.622 3.616 -9.783 161 1HG PRO 24 1HG PRO 24 -10.470 1.860 -7.562 162 2HG PRO 24 2HG PRO 24 -10.010 1.420 -9.195 163 1HD PRO 24 1HD PRO 24 -8.412 1.144 -6.829 164 2HD PRO 24 2HD PRO 24 -7.912 0.814 -8.475 165 H HIS 25 H HIS 25 -10.171 3.646 -6.306 166 HA HIS 25 HA HIS 25 -9.712 6.145 -4.989 167 1HB HIS 25 1HB HIS 25 -11.658 5.670 -3.755 168 2HB HIS 25 2HB HIS 25 -11.966 5.082 -5.377 169 HD1 HIS 25 HD1 HIS 25 -13.489 4.013 -2.839 170 HD2 HIS 25 HD2 HIS 25 -10.178 2.161 -4.627 171 HE1 HIS 25 HE1 HIS 25 -13.601 1.553 -2.173 172 HE2 HIS 25 HE2 HIS 25 -11.572 0.455 -3.346 173 H VAL 26 H VAL 26 -7.462 5.848 -4.345 174 HA VAL 26 HA VAL 26 -6.975 3.743 -2.408 175 HB VAL 26 HB VAL 26 -4.655 4.640 -2.501 176 1HG1 VAL 26 1HG1 VAL 26 -6.032 3.790 -5.061 177 2HG1 VAL 26 2HG1 VAL 26 -4.265 3.952 -4.921 178 3HG1 VAL 26 3HG1 VAL 26 -5.135 2.783 -3.900 179 1HG2 VAL 26 1HG2 VAL 26 -5.646 6.974 -3.303 180 2HG2 VAL 26 2HG2 VAL 26 -4.011 6.442 -3.765 181 3HG2 VAL 26 3HG2 VAL 26 -5.362 6.266 -4.911 182 H THR 27 H THR 27 -6.704 4.058 -0.207 183 HA THR 27 HA THR 27 -6.577 6.764 0.818 184 HB THR 27 HB THR 27 -8.688 6.751 1.889 185 HG1 THR 27 HG1 THR 27 -8.309 3.889 1.459 186 1HG2 THR 27 1HG2 THR 27 -9.158 4.973 -0.563 187 2HG2 THR 27 2HG2 THR 27 -10.410 5.890 0.308 188 3HG2 THR 27 3HG2 THR 27 -9.133 6.753 -0.582 189 HA PRO 28 HA PRO 28 -4.505 4.843 4.053 190 1HB PRO 28 1HB PRO 28 -5.290 6.155 6.318 191 2HB PRO 28 2HB PRO 28 -4.135 6.817 5.179 192 1HG PRO 28 1HG PRO 28 -6.968 7.556 5.587 193 2HG PRO 28 2HG PRO 28 -5.702 8.462 4.782 194 1HD PRO 28 1HD PRO 28 -7.816 6.983 3.529 195 2HD PRO 28 2HD PRO 28 -6.484 7.792 2.727 196 H LYS 29 H LYS 29 -6.743 3.370 3.205 197 HA LYS 29 HA LYS 29 -6.844 1.504 5.247 198 1HB LYS 29 1HB LYS 29 -8.239 3.522 6.209 199 2HB LYS 29 2HB LYS 29 -9.499 2.903 5.160 200 1HG LYS 29 1HG LYS 29 -7.988 1.039 7.025 201 2HG LYS 29 2HG LYS 29 -9.338 1.987 7.615 202 1HD LYS 29 1HD LYS 29 -9.706 0.394 5.074 203 2HD LYS 29 2HD LYS 29 -9.706 -0.464 6.602 204 1HE LYS 29 1HE LYS 29 -11.397 2.021 6.429 205 2HE LYS 29 2HE LYS 29 -11.955 0.614 5.545 206 1HZ LYS 29 1HZ LYS 29 -11.128 -0.203 8.068 207 2HZ LYS 29 2HZ LYS 29 -12.119 1.080 8.263 208 3HZ LYS 29 3HZ LYS 29 -12.636 -0.234 7.441 209 H GLU 30 H GLU 30 -8.980 3.065 2.757 210 HA GLU 30 HA GLU 30 -10.063 0.680 1.881 211 1HB GLU 30 1HB GLU 30 -10.880 3.053 1.418 212 2HB GLU 30 2HB GLU 30 -9.623 3.186 0.205 213 1HG GLU 30 1HG GLU 30 -10.896 2.071 -1.303 214 2HG GLU 30 2HG GLU 30 -11.027 0.694 -0.227 215 H CYS 31 H CYS 31 -7.170 2.545 0.787 216 HA CYS 31 HA CYS 31 -6.600 0.927 -1.409 217 1HB CYS 31 1HB CYS 31 -5.479 2.901 -1.518 218 2HB CYS 31 2HB CYS 31 -5.148 2.954 0.202 219 H ASN 32 H ASN 32 -5.909 0.722 2.097 220 HA ASN 32 HA ASN 32 -4.173 -1.526 1.677 221 1HB ASN 32 1HB ASN 32 -3.507 -0.042 3.468 222 2HB ASN 32 2HB ASN 32 -5.128 0.015 4.130 223 2HD2 ASN 32 2HD2 ASN 32 -5.044 -0.863 6.058 224 1HD2 ASN 32 1HD2 ASN 32 -4.364 -2.401 6.475 225 H ASN 33 H ASN 33 -7.459 -1.021 1.604 226 HA ASN 33 HA ASN 33 -8.136 -3.329 3.207 227 1HB ASN 33 1HB ASN 33 -9.530 -1.241 3.379 228 2HB ASN 33 2HB ASN 33 -9.910 -1.356 1.672 229 2HD2 ASN 33 2HD2 ASN 33 -11.532 -1.487 4.186 230 1HD2 ASN 33 1HD2 ASN 33 -12.490 -2.925 4.063 231 H ARG 34 H ARG 34 -8.076 -2.030 -0.146 232 HA ARG 34 HA ARG 34 -9.520 -4.083 -1.318 233 1HB ARG 34 1HB ARG 34 -8.539 -1.705 -2.195 234 2HB ARG 34 2HB ARG 34 -7.300 -2.750 -2.862 235 1HG ARG 34 1HG ARG 34 -10.306 -3.039 -3.335 236 2HG ARG 34 2HG ARG 34 -9.154 -2.386 -4.483 237 1HD ARG 34 1HD ARG 34 -7.900 -4.682 -4.206 238 2HD ARG 34 2HD ARG 34 -9.395 -5.250 -3.490 239 HE ARG 34 HE ARG 34 -10.279 -4.072 -5.815 240 1HH1 ARG 34 1HH1 ARG 34 -7.761 -6.437 -5.146 241 2HH1 ARG 34 2HH1 ARG 34 -7.903 -7.214 -6.688 242 1HH2 ARG 34 1HH2 ARG 34 -10.467 -5.097 -7.849 243 2HH2 ARG 34 2HH2 ARG 34 -9.453 -6.446 -8.235 244 H GLY 35 H GLY 35 -6.265 -3.897 -0.053 245 1HA GLY 35 1HA GLY 35 -5.624 -6.494 -1.319 246 2HA GLY 35 2HA GLY 35 -5.222 -6.065 0.332 247 H CYS 36 H CYS 36 -3.794 -4.045 0.627 248 HA CYS 36 HA CYS 36 -1.425 -4.395 -0.684 249 1HB CYS 36 1HB CYS 36 -3.150 -3.177 -2.461 250 2HB CYS 36 2HB CYS 36 -2.285 -1.815 -1.778 251 H CYS 37 H CYS 37 -0.638 -1.518 -0.715 252 HA CYS 37 HA CYS 37 -1.170 -0.857 2.088 253 1HB CYS 37 1HB CYS 37 1.430 -1.158 0.666 254 2HB CYS 37 2HB CYS 37 1.285 0.164 1.808 255 H PHE 38 H PHE 38 -1.173 1.476 2.525 256 HA PHE 38 HA PHE 38 -1.496 3.048 0.066 257 1HB PHE 38 1HB PHE 38 -3.601 2.732 1.340 258 2HB PHE 38 2HB PHE 38 -2.796 3.115 2.849 259 HD1 PHE 38 HD1 PHE 38 -4.153 4.514 -0.261 260 HD2 PHE 38 HD2 PHE 38 -2.386 5.400 3.495 261 HE1 PHE 38 HE1 PHE 38 -4.814 6.922 -0.518 262 HE2 PHE 38 HE2 PHE 38 -3.048 7.808 3.238 263 HZ PHE 38 HZ PHE 38 -4.253 8.540 1.235 264 H ASP 39 H ASP 39 -1.302 5.555 0.675 265 HA ASP 39 HA ASP 39 0.348 6.252 2.783 266 1HB ASP 39 1HB ASP 39 2.178 5.128 1.705 267 2HB ASP 39 2HB ASP 39 1.706 5.706 0.119 268 H SER 40 H SER 40 0.545 8.597 2.828 269 HA SER 40 HA SER 40 -0.426 9.941 0.440 270 1HB SER 40 1HB SER 40 -1.842 11.423 1.827 271 2HB SER 40 2HB SER 40 -2.340 9.750 1.979 272 HG SER 40 HG SER 40 -0.409 10.456 3.866 273 H ARG 41 H ARG 41 2.184 9.429 2.184 274 HA ARG 41 HA ARG 41 2.915 11.807 3.325 275 1HB ARG 41 1HB ARG 41 4.074 9.360 3.096 276 2HB ARG 41 2HB ARG 41 5.015 10.199 1.879 277 1HG ARG 41 1HG ARG 41 4.724 11.793 4.345 278 2HG ARG 41 2HG ARG 41 5.474 10.239 4.652 279 1HD ARG 41 1HD ARG 41 7.269 10.669 3.110 280 2HD ARG 41 2HD ARG 41 6.414 11.998 2.353 281 HE ARG 41 HE ARG 41 7.218 13.416 4.024 282 1HH1 ARG 41 1HH1 ARG 41 7.387 10.097 5.180 283 2HH1 ARG 41 2HH1 ARG 41 8.209 10.515 6.647 284 1HH2 ARG 41 1HH2 ARG 41 8.302 13.969 5.958 285 2HH2 ARG 41 2HH2 ARG 41 8.733 12.732 7.092 286 H ILE 42 H ILE 42 3.460 10.553 -0.040 287 HA ILE 42 HA ILE 42 3.631 13.307 -0.951 288 HB ILE 42 HB ILE 42 5.626 12.161 -2.420 289 1HG1 ILE 42 1HG1 ILE 42 7.203 11.162 -0.788 290 2HG1 ILE 42 2HG1 ILE 42 5.942 11.171 0.429 291 1HG2 ILE 42 1HG2 ILE 42 5.551 14.432 -1.470 292 2HG2 ILE 42 2HG2 ILE 42 5.947 13.764 0.131 293 3HG2 ILE 42 3HG2 ILE 42 7.120 13.635 -1.202 294 1HD1 ILE 42 1HD1 ILE 42 5.095 9.934 -2.130 295 2HD1 ILE 42 2HD1 ILE 42 6.433 9.085 -1.320 296 3HD1 ILE 42 3HD1 ILE 42 4.896 9.346 -0.461 297 HA PRO 43 HA PRO 43 1.167 11.460 -3.998 298 1HB PRO 43 1HB PRO 43 0.871 13.610 -5.660 299 2HB PRO 43 2HB PRO 43 -0.100 13.370 -4.220 300 1HG PRO 43 1HG PRO 43 2.135 15.256 -4.656 301 2HG PRO 43 2HG PRO 43 0.898 15.287 -3.414 302 1HD PRO 43 1HD PRO 43 3.625 14.455 -3.100 303 2HD PRO 43 2HD PRO 43 2.359 14.377 -1.891 304 H GLY 44 H GLY 44 4.085 13.151 -4.879 305 1HA GLY 44 1HA GLY 44 5.734 12.444 -6.269 306 2HA GLY 44 2HA GLY 44 4.459 12.567 -7.464 307 H VAL 45 H VAL 45 4.933 10.228 -4.725 308 HA VAL 45 HA VAL 45 5.444 8.115 -6.640 309 HB VAL 45 HB VAL 45 6.315 6.946 -4.896 310 1HG1 VAL 45 1HG1 VAL 45 7.080 9.549 -5.010 311 2HG1 VAL 45 2HG1 VAL 45 6.602 9.428 -3.300 312 3HG1 VAL 45 3HG1 VAL 45 7.841 8.332 -3.957 313 1HG2 VAL 45 1HG2 VAL 45 4.362 8.364 -3.057 314 2HG2 VAL 45 2HG2 VAL 45 4.312 6.667 -3.590 315 3HG2 VAL 45 3HG2 VAL 45 5.611 7.222 -2.507 316 HA PRO 46 HA PRO 46 1.494 6.364 -6.439 317 1HB PRO 46 1HB PRO 46 1.897 3.672 -6.191 318 2HB PRO 46 2HB PRO 46 2.083 4.533 -7.706 319 1HG PRO 46 1HG PRO 46 4.176 3.484 -5.901 320 2HG PRO 46 2HG PRO 46 4.312 3.955 -7.584 321 1HD PRO 46 1HD PRO 46 5.196 5.456 -5.305 322 2HD PRO 46 2HD PRO 46 5.226 5.976 -6.978 323 H TRP 47 H TRP 47 0.638 7.423 -4.633 324 HA TRP 47 HA TRP 47 0.977 7.025 -2.080 325 1HB TRP 47 1HB TRP 47 -1.502 7.351 -3.687 326 2HB TRP 47 2HB TRP 47 -1.697 6.928 -1.998 327 HD1 TRP 47 HD1 TRP 47 1.223 9.235 -2.947 328 HE1 TRP 47 HE1 TRP 47 0.860 11.681 -2.026 329 HE3 TRP 47 HE3 TRP 47 -3.568 8.508 -1.407 330 HZ2 TRP 47 HZ2 TRP 47 -1.340 13.007 -0.784 331 HZ3 TRP 47 HZ3 TRP 47 -4.752 10.430 -0.350 332 HH2 TRP 47 HH2 TRP 47 -3.715 12.620 -0.030 333 H CYS 48 H CYS 48 -1.078 4.783 -4.084 334 HA CYS 48 HA CYS 48 -0.972 2.848 -1.943 335 1HB CYS 48 1HB CYS 48 -3.025 3.448 -3.405 336 2HB CYS 48 2HB CYS 48 -2.279 2.428 -4.619 337 H PHE 49 H PHE 49 0.462 1.129 -1.926 338 HA PHE 49 HA PHE 49 1.595 0.228 -4.424 339 1HB PHE 49 1HB PHE 49 3.931 0.473 -3.294 340 2HB PHE 49 2HB PHE 49 3.194 1.967 -3.839 341 HD1 PHE 49 HD1 PHE 49 3.500 -0.171 -0.802 342 HD2 PHE 49 HD2 PHE 49 2.982 3.743 -2.359 343 HE1 PHE 49 HE1 PHE 49 3.711 0.777 1.512 344 HE2 PHE 49 HE2 PHE 49 3.193 4.691 -0.044 345 HZ PHE 49 HZ PHE 49 3.556 3.197 1.863 346 H LYS 50 H LYS 50 3.042 -1.751 -4.031 347 HA LYS 50 HA LYS 50 1.642 -3.521 -2.334 348 1HB LYS 50 1HB LYS 50 4.291 -3.932 -3.751 349 2HB LYS 50 2HB LYS 50 3.231 -5.181 -3.129 350 1HG LYS 50 1HG LYS 50 1.427 -3.912 -4.688 351 2HG LYS 50 2HG LYS 50 2.874 -3.414 -5.542 352 1HD LYS 50 1HD LYS 50 3.306 -6.152 -5.087 353 2HD LYS 50 2HD LYS 50 1.589 -6.068 -5.426 354 1HE LYS 50 1HE LYS 50 2.770 -4.349 -7.342 355 2HE LYS 50 2HE LYS 50 3.859 -5.720 -7.256 356 1HZ LYS 50 1HZ LYS 50 1.371 -6.808 -7.250 357 2HZ LYS 50 2HZ LYS 50 1.259 -5.592 -8.335 358 3HZ LYS 50 3HZ LYS 50 2.396 -6.750 -8.520 359 HA PRO 51 HA PRO 51 3.961 -3.281 1.298 360 1HB PRO 51 1HB PRO 51 4.064 -5.860 2.196 361 2HB PRO 51 2HB PRO 51 2.651 -4.839 2.374 362 1HG PRO 51 1HG PRO 51 3.099 -7.073 0.490 363 2HG PRO 51 2HG PRO 51 1.586 -6.333 0.975 364 1HD PRO 51 1HD PRO 51 2.978 -5.930 -1.500 365 2HD PRO 51 2HD PRO 51 1.528 -5.103 -0.967 366 H LEU 52 H LEU 52 6.001 -2.718 1.693 367 HA LEU 52 HA LEU 52 8.057 -3.224 0.113 368 1HB LEU 52 1HB LEU 52 8.314 -1.736 1.905 369 2HB LEU 52 2HB LEU 52 7.949 -2.960 3.104 370 HG LEU 52 HG LEU 52 10.428 -3.052 1.372 371 1HD1 LEU 52 1HD1 LEU 52 9.819 -1.303 3.620 372 2HD1 LEU 52 2HD1 LEU 52 11.239 -2.332 3.928 373 3HD1 LEU 52 3HD1 LEU 52 11.193 -1.285 2.489 374 1HD2 LEU 52 1HD2 LEU 52 9.242 -4.864 3.251 375 2HD2 LEU 52 2HD2 LEU 52 10.725 -5.049 2.285 376 3HD2 LEU 52 3HD2 LEU 52 10.799 -4.286 3.891 377 H GLN 53 H GLN 53 9.313 -4.895 -0.574 378 HA GLN 53 HA GLN 53 8.524 -7.486 0.116 379 1HB GLN 53 1HB GLN 53 10.185 -8.215 -1.459 380 2HB GLN 53 2HB GLN 53 9.518 -6.724 -2.095 381 1HG GLN 53 1HG GLN 53 12.245 -7.252 -0.949 382 2HG GLN 53 2HG GLN 53 11.793 -6.281 -2.337 383 2HE2 GLN 53 2HE2 GLN 53 10.527 -4.290 -1.880 384 1HE2 GLN 53 1HE2 GLN 53 10.954 -3.337 -0.498 385 H GLU 54 H GLU 54 8.843 -6.872 2.579 386 HA GLU 54 HA GLU 54 11.111 -6.495 3.844 387 1HB GLU 54 1HB GLU 54 10.132 -7.479 5.738 388 2HB GLU 54 2HB GLU 54 8.738 -7.119 4.739 389 1HG GLU 54 1HG GLU 54 9.019 -9.535 3.790 390 2HG GLU 54 2HG GLU 54 10.095 -9.812 5.144 391 H ALA 55 H ALA 55 13.127 -7.399 3.996 392 HA ALA 55 HA ALA 55 13.523 -10.198 3.932 393 1HB ALA 55 1HB ALA 55 14.562 -10.480 1.815 394 2HB ALA 55 2HB ALA 55 13.064 -9.582 1.473 395 3HB ALA 55 3HB ALA 55 14.624 -8.726 1.519 396 H GLU 56 H GLU 56 14.112 -8.305 5.843 397 HA GLU 56 HA GLU 56 16.773 -7.364 5.398 398 1HB GLU 56 1HB GLU 56 14.733 -6.392 6.881 399 2HB GLU 56 2HB GLU 56 15.525 -7.332 8.130 400 1HG GLU 56 1HG GLU 56 17.375 -5.958 8.192 401 2HG GLU 56 2HG GLU 56 17.375 -5.697 6.459 402 H CYS 57 H CYS 57 17.385 -9.781 4.933 403 HA CYS 57 HA CYS 57 19.057 -10.649 6.907 404 1HB CYS 57 1HB CYS 57 16.472 -11.260 7.697 405 2HB CYS 57 2HB CYS 57 17.034 -12.757 6.980 406 H THR 58 H THR 58 19.866 -12.986 6.337 407 HA THR 58 HA THR 58 19.388 -13.456 3.466 408 HB THR 58 HB THR 58 21.638 -12.434 4.083 409 HG1 THR 58 HG1 THR 58 22.537 -13.898 2.596 410 1HG2 THR 58 1HG2 THR 58 21.629 -14.172 6.234 411 2HG2 THR 58 2HG2 THR 58 22.571 -15.103 5.045 412 3HG2 THR 58 3HG2 THR 58 23.109 -13.477 5.530 413 H PHE 59 H PHE 59 19.708 -15.702 2.734 414 HA PHE 59 HA PHE 59 18.105 -17.453 3.986 415 1HB PHE 59 1HB PHE 59 20.288 -17.433 1.997 416 2HB PHE 59 2HB PHE 59 20.286 -18.955 2.866 417 HD1 PHE 59 HD1 PHE 59 18.293 -16.756 0.686 418 HD2 PHE 59 HD2 PHE 59 18.559 -20.573 2.522 419 HE1 PHE 59 HE1 PHE 59 16.433 -17.590 -0.778 420 HE2 PHE 59 HE2 PHE 59 16.699 -21.407 1.057 421 HZ PHE 59 HZ PHE 59 15.658 -19.905 -0.575 No H/Q in entry = 421 Start of MODEL 72 1 H GLU 1 H GLU 1 7.534 -7.556 14.492 2 HA GLU 1 HA GLU 1 9.631 -7.229 15.799 3 1HB GLU 1 1HB GLU 1 7.572 -5.805 17.488 4 2HB GLU 1 2HB GLU 1 8.907 -6.613 18.285 5 1HG GLU 1 1HG GLU 1 10.530 -5.321 16.894 6 2HG GLU 1 2HG GLU 1 9.202 -4.525 16.073 7 H GLU 2 H GLU 2 6.424 -7.886 17.402 8 HA GLU 2 HA GLU 2 7.287 -10.666 17.564 9 1HB GLU 2 1HB GLU 2 7.069 -9.003 19.753 10 2HB GLU 2 2HB GLU 2 5.466 -9.709 19.713 11 1HG GLU 2 1HG GLU 2 7.706 -11.641 19.297 12 2HG GLU 2 2HG GLU 2 7.651 -10.902 20.886 13 H TYR 3 H TYR 3 5.938 -10.128 15.358 14 HA TYR 3 HA TYR 3 3.548 -11.562 15.614 15 1HB TYR 3 1HB TYR 3 2.676 -9.461 16.581 16 2HB TYR 3 2HB TYR 3 3.502 -8.498 15.372 17 HD1 TYR 3 HD1 TYR 3 0.960 -11.267 15.497 18 HD2 TYR 3 HD2 TYR 3 2.206 -7.601 13.675 19 HE1 TYR 3 HE1 TYR 3 -1.137 -11.260 14.059 20 HE2 TYR 3 HE2 TYR 3 0.104 -7.607 12.244 21 HH TYR 3 HH TYR 3 -2.526 -9.490 12.915 22 H VAL 4 H VAL 4 3.852 -8.674 13.517 23 HA VAL 4 HA VAL 4 5.009 -10.237 11.387 24 HB VAL 4 HB VAL 4 2.315 -8.984 10.917 25 1HG1 VAL 4 1HG1 VAL 4 4.181 -9.819 9.149 26 2HG1 VAL 4 2HG1 VAL 4 3.286 -11.339 9.387 27 3HG1 VAL 4 3HG1 VAL 4 2.430 -9.879 8.834 28 1HG2 VAL 4 1HG2 VAL 4 2.014 -10.668 12.683 29 2HG2 VAL 4 2HG2 VAL 4 1.281 -11.195 11.149 30 3HG2 VAL 4 3HG2 VAL 4 2.838 -11.879 11.672 31 H GLY 5 H GLY 5 3.421 -7.971 9.721 32 1HA GLY 5 1HA GLY 5 4.598 -6.227 8.666 33 2HA GLY 5 2HA GLY 5 5.567 -5.996 10.108 34 H LEU 6 H LEU 6 3.446 -6.054 12.088 35 HA LEU 6 HA LEU 6 1.263 -4.513 11.603 36 1HB LEU 6 1HB LEU 6 2.492 -5.626 13.788 37 2HB LEU 6 2HB LEU 6 2.614 -3.913 14.138 38 HG LEU 6 HG LEU 6 0.043 -5.392 13.513 39 1HD1 LEU 6 1HD1 LEU 6 1.150 -4.396 16.153 40 2HD1 LEU 6 2HD1 LEU 6 -0.485 -5.052 15.898 41 3HD1 LEU 6 3HD1 LEU 6 0.939 -6.092 15.655 42 1HD2 LEU 6 1HD2 LEU 6 0.702 -2.516 13.845 43 2HD2 LEU 6 2HD2 LEU 6 -0.579 -3.307 12.895 44 3HD2 LEU 6 3HD2 LEU 6 -0.772 -3.102 14.653 45 H SER 7 H SER 7 0.768 -2.231 11.890 46 HA SER 7 HA SER 7 1.146 -0.081 11.781 47 1HB SER 7 1HB SER 7 3.128 0.905 12.514 48 2HB SER 7 2HB SER 7 3.254 -0.681 13.248 49 HG SER 7 HG SER 7 5.090 0.391 11.772 50 H ALA 8 H ALA 8 3.653 1.067 10.372 51 HA ALA 8 HA ALA 8 2.715 0.458 7.676 52 1HB ALA 8 1HB ALA 8 4.677 2.556 7.783 53 2HB ALA 8 2HB ALA 8 2.943 2.674 7.403 54 3HB ALA 8 3HB ALA 8 3.496 2.818 9.088 55 H ASN 9 H ASN 9 4.548 -1.254 9.502 56 HA ASN 9 HA ASN 9 7.127 -1.147 8.790 57 1HB ASN 9 1HB ASN 9 6.232 -2.821 10.371 58 2HB ASN 9 2HB ASN 9 5.336 -3.613 9.090 59 2HD2 ASN 9 2HD2 ASN 9 7.441 -4.564 10.932 60 1HD2 ASN 9 1HD2 ASN 9 8.692 -5.250 9.950 61 H GLN 10 H GLN 10 4.809 -3.499 7.241 62 HA GLN 10 HA GLN 10 6.378 -4.031 5.074 63 1HB GLN 10 1HB GLN 10 4.446 -5.098 4.125 64 2HB GLN 10 2HB GLN 10 4.312 -5.284 5.863 65 1HG GLN 10 1HG GLN 10 2.913 -3.117 4.223 66 2HG GLN 10 2HG GLN 10 2.150 -4.584 4.805 67 2HE2 GLN 10 2HE2 GLN 10 1.328 -4.659 6.780 68 1HE2 GLN 10 1HE2 GLN 10 1.480 -3.440 8.002 69 H CYS 11 H CYS 11 4.305 -1.254 5.751 70 HA CYS 11 HA CYS 11 4.630 -0.366 2.986 71 1HB CYS 11 1HB CYS 11 2.921 1.213 4.796 72 2HB CYS 11 2HB CYS 11 2.679 0.749 3.124 73 H ALA 12 H ALA 12 6.919 -0.409 4.680 74 HA ALA 12 HA ALA 12 7.180 2.398 5.497 75 1HB ALA 12 1HB ALA 12 9.127 1.544 6.814 76 2HB ALA 12 2HB ALA 12 7.585 0.790 7.285 77 3HB ALA 12 3HB ALA 12 8.738 -0.103 6.264 78 H VAL 13 H VAL 13 7.145 1.817 2.724 79 HA VAL 13 HA VAL 13 9.868 1.504 1.856 80 HB VAL 13 HB VAL 13 7.801 2.491 -0.008 81 1HG1 VAL 13 1HG1 VAL 13 10.115 0.656 0.030 82 2HG1 VAL 13 2HG1 VAL 13 8.754 0.124 -0.986 83 3HG1 VAL 13 3HG1 VAL 13 9.505 1.714 -1.265 84 1HG2 VAL 13 1HG2 VAL 13 7.412 0.019 1.656 85 2HG2 VAL 13 2HG2 VAL 13 6.219 1.219 1.102 86 3HG2 VAL 13 3HG2 VAL 13 6.884 0.030 -0.044 87 HA PRO 14 HA PRO 14 10.844 5.716 1.878 88 1HB PRO 14 1HB PRO 14 12.926 5.768 0.109 89 2HB PRO 14 2HB PRO 14 13.099 5.264 1.778 90 1HG PRO 14 1HG PRO 14 13.042 3.599 -0.665 91 2HG PRO 14 2HG PRO 14 13.628 3.183 0.934 92 1HD PRO 14 1HD PRO 14 11.145 2.370 -0.249 93 2HD PRO 14 2HD PRO 14 11.679 2.051 1.389 94 H ALA 15 H ALA 15 9.218 4.291 -0.529 95 HA ALA 15 HA ALA 15 7.755 5.318 -1.914 96 1HB ALA 15 1HB ALA 15 9.333 7.871 -2.043 97 2HB ALA 15 2HB ALA 15 7.572 7.618 -2.079 98 3HB ALA 15 3HB ALA 15 8.457 7.490 -0.541 99 H LYS 16 H LYS 16 11.223 5.171 -2.122 100 HA LYS 16 HA LYS 16 11.165 5.446 -5.021 101 1HB LYS 16 1HB LYS 16 13.618 5.364 -4.836 102 2HB LYS 16 2HB LYS 16 12.918 6.645 -3.868 103 1HG LYS 16 1HG LYS 16 14.628 5.499 -2.544 104 2HG LYS 16 2HG LYS 16 13.057 5.176 -1.838 105 1HD LYS 16 1HD LYS 16 13.021 2.940 -2.580 106 2HD LYS 16 2HD LYS 16 14.124 3.249 -3.907 107 1HE LYS 16 1HE LYS 16 15.468 3.870 -1.407 108 2HE LYS 16 2HE LYS 16 14.757 2.273 -1.284 109 1HZ LYS 16 1HZ LYS 16 16.073 2.809 -3.773 110 2HZ LYS 16 2HZ LYS 16 17.065 2.785 -2.476 111 3HZ LYS 16 3HZ LYS 16 16.141 1.483 -2.822 112 H ASP 17 H ASP 17 10.125 3.145 -3.046 113 HA ASP 17 HA ASP 17 11.253 1.063 -4.736 114 1HB ASP 17 1HB ASP 17 11.467 1.337 -1.860 115 2HB ASP 17 2HB ASP 17 10.463 -0.058 -2.203 116 H ARG 18 H ARG 18 8.667 2.836 -4.445 117 HA ARG 18 HA ARG 18 6.677 1.005 -3.641 118 1HB ARG 18 1HB ARG 18 6.272 3.505 -5.346 119 2HB ARG 18 2HB ARG 18 5.104 2.750 -4.281 120 1HG ARG 18 1HG ARG 18 7.727 4.007 -3.345 121 2HG ARG 18 2HG ARG 18 6.173 4.816 -3.299 122 1HD ARG 18 1HD ARG 18 5.379 2.694 -1.934 123 2HD ARG 18 2HD ARG 18 7.091 2.410 -1.690 124 HE ARG 18 HE ARG 18 7.063 4.118 -0.112 125 1HH1 ARG 18 1HH1 ARG 18 4.502 4.730 -2.447 126 2HH1 ARG 18 2HH1 ARG 18 3.931 6.152 -1.639 127 1HH2 ARG 18 1HH2 ARG 18 6.309 5.994 0.954 128 2HH2 ARG 18 2HH2 ARG 18 4.965 6.875 0.309 129 H VAL 19 H VAL 19 6.088 -0.757 -4.869 130 HA VAL 19 HA VAL 19 6.730 -0.844 -7.653 131 HB VAL 19 HB VAL 19 5.183 -2.735 -5.869 132 1HG1 VAL 19 1HG1 VAL 19 6.152 -2.935 -8.715 133 2HG1 VAL 19 2HG1 VAL 19 6.008 -4.393 -7.703 134 3HG1 VAL 19 3HG1 VAL 19 4.575 -3.385 -8.021 135 1HG2 VAL 19 1HG2 VAL 19 8.098 -2.331 -6.407 136 2HG2 VAL 19 2HG2 VAL 19 7.264 -2.814 -4.911 137 3HG2 VAL 19 3HG2 VAL 19 7.502 -3.997 -6.219 138 H ASP 20 H ASP 20 4.265 0.629 -5.876 139 HA ASP 20 HA ASP 20 2.336 1.478 -6.380 140 1HB ASP 20 1HB ASP 20 3.271 2.553 -8.289 141 2HB ASP 20 2HB ASP 20 3.456 1.045 -9.163 142 H CYS 21 H CYS 21 0.526 0.254 -5.826 143 HA CYS 21 HA CYS 21 0.194 -2.353 -6.968 144 1HB CYS 21 1HB CYS 21 -0.466 -1.173 -4.552 145 2HB CYS 21 2HB CYS 21 -2.017 -1.323 -5.354 146 H GLY 22 H GLY 22 -0.790 0.940 -7.581 147 1HA GLY 22 1HA GLY 22 -2.170 0.249 -9.955 148 2HA GLY 22 2HA GLY 22 -2.050 1.835 -9.219 149 H TYR 23 H TYR 23 -3.732 2.641 -7.912 150 HA TYR 23 HA TYR 23 -6.190 1.093 -8.073 151 1HB TYR 23 1HB TYR 23 -4.614 1.988 -5.619 152 2HB TYR 23 2HB TYR 23 -6.363 2.017 -5.514 153 HD1 TYR 23 HD1 TYR 23 -3.435 -0.201 -6.064 154 HD2 TYR 23 HD2 TYR 23 -7.621 0.010 -5.209 155 HE1 TYR 23 HE1 TYR 23 -3.449 -2.677 -5.488 156 HE2 TYR 23 HE2 TYR 23 -7.622 -2.467 -4.636 157 HH TYR 23 HH TYR 23 -5.459 -4.108 -3.744 158 HA PRO 24 HA PRO 24 -7.663 5.101 -8.828 159 1HB PRO 24 1HB PRO 24 -10.350 4.605 -8.807 160 2HB PRO 24 2HB PRO 24 -9.330 4.299 -10.199 161 1HG PRO 24 1HG PRO 24 -10.488 2.363 -8.289 162 2HG PRO 24 2HG PRO 24 -9.841 2.071 -9.891 163 1HD PRO 24 1HD PRO 24 -8.555 1.503 -7.391 164 2HD PRO 24 2HD PRO 24 -7.863 1.319 -8.990 165 H HIS 25 H HIS 25 -9.942 3.650 -6.550 166 HA HIS 25 HA HIS 25 -9.824 6.125 -5.058 167 1HB HIS 25 1HB HIS 25 -11.718 5.188 -3.810 168 2HB HIS 25 2HB HIS 25 -12.008 5.218 -5.538 169 HD1 HIS 25 HD1 HIS 25 -13.871 3.349 -4.610 170 HD2 HIS 25 HD2 HIS 25 -9.846 2.186 -4.826 171 HE1 HIS 25 HE1 HIS 25 -13.862 0.798 -4.591 172 HE2 HIS 25 HE2 HIS 25 -11.366 0.141 -4.781 173 H VAL 26 H VAL 26 -7.621 5.953 -4.278 174 HA VAL 26 HA VAL 26 -7.146 3.728 -2.449 175 HB VAL 26 HB VAL 26 -4.823 4.595 -2.464 176 1HG1 VAL 26 1HG1 VAL 26 -6.076 3.946 -5.151 177 2HG1 VAL 26 2HG1 VAL 26 -4.326 3.937 -4.827 178 3HG1 VAL 26 3HG1 VAL 26 -5.396 2.801 -3.970 179 1HG2 VAL 26 1HG2 VAL 26 -5.817 6.968 -3.242 180 2HG2 VAL 26 2HG2 VAL 26 -4.140 6.468 -3.566 181 3HG2 VAL 26 3HG2 VAL 26 -5.377 6.310 -4.836 182 H THR 27 H THR 27 -6.847 4.011 -0.232 183 HA THR 27 HA THR 27 -6.820 6.705 0.833 184 HB THR 27 HB THR 27 -8.913 6.541 1.975 185 HG1 THR 27 HG1 THR 27 -8.503 3.740 1.245 186 1HG2 THR 27 1HG2 THR 27 -9.317 5.016 -0.653 187 2HG2 THR 27 2HG2 THR 27 -10.613 5.769 0.308 188 3HG2 THR 27 3HG2 THR 27 -9.376 6.786 -0.470 189 HA PRO 28 HA PRO 28 -4.648 4.818 4.021 190 1HB PRO 28 1HB PRO 28 -5.433 6.109 6.298 191 2HB PRO 28 2HB PRO 28 -4.307 6.798 5.145 192 1HG PRO 28 1HG PRO 28 -7.150 7.474 5.590 193 2HG PRO 28 2HG PRO 28 -5.915 8.409 4.770 194 1HD PRO 28 1HD PRO 28 -8.012 6.885 3.542 195 2HD PRO 28 2HD PRO 28 -6.709 7.724 2.724 196 H LYS 29 H LYS 29 -6.973 3.372 3.210 197 HA LYS 29 HA LYS 29 -6.967 1.454 5.216 198 1HB LYS 29 1HB LYS 29 -8.317 3.434 6.288 199 2HB LYS 29 2HB LYS 29 -9.619 2.869 5.259 200 1HG LYS 29 1HG LYS 29 -8.082 0.891 6.972 201 2HG LYS 29 2HG LYS 29 -9.348 1.867 7.691 202 1HD LYS 29 1HD LYS 29 -10.293 0.755 5.168 203 2HD LYS 29 2HD LYS 29 -9.649 -0.532 6.168 204 1HE LYS 29 1HE LYS 29 -11.262 1.318 7.774 205 2HE LYS 29 2HE LYS 29 -12.187 0.709 6.416 206 1HZ LYS 29 1HZ LYS 29 -10.614 -1.122 8.058 207 2HZ LYS 29 2HZ LYS 29 -12.102 -0.652 8.540 208 3HZ LYS 29 3HZ LYS 29 -11.914 -1.447 7.126 209 H GLU 30 H GLU 30 -9.071 3.082 2.754 210 HA GLU 30 HA GLU 30 -10.236 0.703 1.901 211 1HB GLU 30 1HB GLU 30 -10.860 3.250 1.496 212 2HB GLU 30 2HB GLU 30 -9.870 3.074 0.061 213 1HG GLU 30 1HG GLU 30 -11.642 2.128 -0.989 214 2HG GLU 30 2HG GLU 30 -11.506 0.757 0.095 215 H CYS 31 H CYS 31 -7.200 2.375 1.083 216 HA CYS 31 HA CYS 31 -6.751 0.789 -1.249 217 1HB CYS 31 1HB CYS 31 -5.725 2.815 -1.471 218 2HB CYS 31 2HB CYS 31 -5.295 2.925 0.225 219 H ASN 32 H ASN 32 -6.192 0.628 2.236 220 HA ASN 32 HA ASN 32 -4.274 -1.502 1.884 221 1HB ASN 32 1HB ASN 32 -5.352 -0.550 4.564 222 2HB ASN 32 2HB ASN 32 -3.777 -1.233 4.209 223 2HD2 ASN 32 2HD2 ASN 32 -2.318 0.241 4.629 224 1HD2 ASN 32 1HD2 ASN 32 -2.314 1.890 4.101 225 H ASN 33 H ASN 33 -7.567 -1.172 1.748 226 HA ASN 33 HA ASN 33 -8.106 -3.522 3.366 227 1HB ASN 33 1HB ASN 33 -9.560 -1.509 3.723 228 2HB ASN 33 2HB ASN 33 -10.011 -1.527 2.030 229 2HD2 ASN 33 2HD2 ASN 33 -11.166 -2.165 4.919 230 1HD2 ASN 33 1HD2 ASN 33 -12.211 -3.517 4.632 231 H ARG 34 H ARG 34 -8.267 -2.074 0.079 232 HA ARG 34 HA ARG 34 -9.736 -4.053 -1.139 233 1HB ARG 34 1HB ARG 34 -8.665 -1.676 -1.941 234 2HB ARG 34 2HB ARG 34 -7.510 -2.757 -2.695 235 1HG ARG 34 1HG ARG 34 -10.533 -3.027 -3.032 236 2HG ARG 34 2HG ARG 34 -9.513 -2.142 -4.149 237 1HD ARG 34 1HD ARG 34 -8.116 -4.478 -4.079 238 2HD ARG 34 2HD ARG 34 -9.705 -5.107 -3.691 239 HE ARG 34 HE ARG 34 -8.853 -3.975 -6.255 240 1HH1 ARG 34 1HH1 ARG 34 -11.619 -4.699 -4.205 241 2HH1 ARG 34 2HH1 ARG 34 -12.744 -4.746 -5.521 242 1HH2 ARG 34 1HH2 ARG 34 -10.336 -4.036 -7.992 243 2HH2 ARG 34 2HH2 ARG 34 -12.009 -4.367 -7.690 244 H GLY 35 H GLY 35 -6.315 -3.862 -0.188 245 1HA GLY 35 1HA GLY 35 -5.805 -6.454 -1.519 246 2HA GLY 35 2HA GLY 35 -5.410 -6.177 0.166 247 H CYS 36 H CYS 36 -3.943 -4.217 0.642 248 HA CYS 36 HA CYS 36 -1.545 -4.506 -0.543 249 1HB CYS 36 1HB CYS 36 -3.230 -3.187 -2.387 250 2HB CYS 36 2HB CYS 36 -2.144 -1.964 -1.758 251 H CYS 37 H CYS 37 -0.701 -1.674 -0.575 252 HA CYS 37 HA CYS 37 -1.420 -0.939 2.170 253 1HB CYS 37 1HB CYS 37 1.238 -1.292 0.902 254 2HB CYS 37 2HB CYS 37 1.052 0.121 1.922 255 H PHE 38 H PHE 38 -1.293 1.445 2.571 256 HA PHE 38 HA PHE 38 -1.611 2.946 0.067 257 1HB PHE 38 1HB PHE 38 -3.743 2.660 1.308 258 2HB PHE 38 2HB PHE 38 -2.969 3.092 2.819 259 HD1 PHE 38 HD1 PHE 38 -4.223 4.396 -0.381 260 HD2 PHE 38 HD2 PHE 38 -2.614 5.390 3.418 261 HE1 PHE 38 HE1 PHE 38 -4.881 6.793 -0.730 262 HE2 PHE 38 HE2 PHE 38 -3.272 7.787 3.069 263 HZ PHE 38 HZ PHE 38 -4.398 8.460 1.000 264 H ASP 39 H ASP 39 -1.429 5.469 0.629 265 HA ASP 39 HA ASP 39 0.157 6.229 2.752 266 1HB ASP 39 1HB ASP 39 2.009 5.032 1.781 267 2HB ASP 39 2HB ASP 39 1.621 5.586 0.165 268 H SER 40 H SER 40 0.350 8.569 2.722 269 HA SER 40 HA SER 40 -0.498 9.825 0.240 270 1HB SER 40 1HB SER 40 -1.967 11.362 1.491 271 2HB SER 40 2HB SER 40 -2.470 9.699 1.723 272 HG SER 40 HG SER 40 -2.199 11.284 3.668 273 H ARG 41 H ARG 41 2.050 9.362 2.057 274 HA ARG 41 HA ARG 41 2.768 11.744 3.182 275 1HB ARG 41 1HB ARG 41 3.936 9.287 2.943 276 2HB ARG 41 2HB ARG 41 4.906 10.163 1.776 277 1HG ARG 41 1HG ARG 41 5.826 11.591 3.389 278 2HG ARG 41 2HG ARG 41 4.437 11.470 4.451 279 1HD ARG 41 1HD ARG 41 5.072 9.172 5.100 280 2HD ARG 41 2HD ARG 41 6.386 9.170 3.940 281 HE ARG 41 HE ARG 41 7.678 10.443 5.425 282 1HH1 ARG 41 1HH1 ARG 41 4.303 10.578 6.413 283 2HH1 ARG 41 2HH1 ARG 41 4.640 11.389 7.906 284 1HH2 ARG 41 1HH2 ARG 41 8.123 11.513 7.394 285 2HH2 ARG 41 2HH2 ARG 41 6.827 11.924 8.468 286 H ILE 42 H ILE 42 3.406 10.473 -0.163 287 HA ILE 42 HA ILE 42 3.537 13.220 -1.098 288 HB ILE 42 HB ILE 42 5.611 12.113 -2.489 289 1HG1 ILE 42 1HG1 ILE 42 7.161 11.176 -0.801 290 2HG1 ILE 42 2HG1 ILE 42 5.872 11.178 0.385 291 1HG2 ILE 42 1HG2 ILE 42 5.329 14.039 -0.238 292 2HG2 ILE 42 2HG2 ILE 42 6.971 13.489 -0.647 293 3HG2 ILE 42 3HG2 ILE 42 5.961 14.273 -1.886 294 1HD1 ILE 42 1HD1 ILE 42 5.099 9.876 -2.159 295 2HD1 ILE 42 2HD1 ILE 42 6.457 9.078 -1.330 296 3HD1 ILE 42 3HD1 ILE 42 4.906 9.303 -0.485 297 HA PRO 43 HA PRO 43 1.233 11.278 -4.209 298 1HB PRO 43 1HB PRO 43 0.958 13.393 -5.917 299 2HB PRO 43 2HB PRO 43 -0.061 13.158 -4.511 300 1HG PRO 43 1HG PRO 43 2.151 15.081 -4.896 301 2HG PRO 43 2HG PRO 43 0.869 15.107 -3.702 302 1HD PRO 43 1HD PRO 43 3.598 14.335 -3.273 303 2HD PRO 43 2HD PRO 43 2.289 14.252 -2.110 304 H GLY 44 H GLY 44 4.135 13.033 -5.033 305 1HA GLY 44 1HA GLY 44 5.848 12.344 -6.351 306 2HA GLY 44 2HA GLY 44 4.609 12.392 -7.588 307 H VAL 45 H VAL 45 4.714 10.122 -4.792 308 HA VAL 45 HA VAL 45 5.457 7.975 -6.629 309 HB VAL 45 HB VAL 45 6.296 6.854 -4.831 310 1HG1 VAL 45 1HG1 VAL 45 7.078 9.443 -5.050 311 2HG1 VAL 45 2HG1 VAL 45 6.581 9.404 -3.342 312 3HG1 VAL 45 3HG1 VAL 45 7.820 8.272 -3.934 313 1HG2 VAL 45 1HG2 VAL 45 4.313 8.346 -3.087 314 2HG2 VAL 45 2HG2 VAL 45 4.305 6.619 -3.517 315 3HG2 VAL 45 3HG2 VAL 45 5.576 7.264 -2.452 316 HA PRO 46 HA PRO 46 1.527 6.180 -6.451 317 1HB PRO 46 1HB PRO 46 1.967 3.499 -6.162 318 2HB PRO 46 2HB PRO 46 2.156 4.342 -7.686 319 1HG PRO 46 1HG PRO 46 4.246 3.349 -5.847 320 2HG PRO 46 2HG PRO 46 4.392 3.799 -7.535 321 1HD PRO 46 1HD PRO 46 5.230 5.344 -5.268 322 2HD PRO 46 2HD PRO 46 5.269 5.841 -6.948 323 H TRP 47 H TRP 47 0.657 7.262 -4.658 324 HA TRP 47 HA TRP 47 0.978 6.883 -2.098 325 1HB TRP 47 1HB TRP 47 -1.510 7.166 -3.715 326 2HB TRP 47 2HB TRP 47 -1.680 6.814 -2.007 327 HD1 TRP 47 HD1 TRP 47 1.245 9.065 -3.039 328 HE1 TRP 47 HE1 TRP 47 0.886 11.553 -2.235 329 HE3 TRP 47 HE3 TRP 47 -3.571 8.438 -1.531 330 HZ2 TRP 47 HZ2 TRP 47 -1.322 12.948 -1.085 331 HZ3 TRP 47 HZ3 TRP 47 -4.756 10.414 -0.579 332 HH2 TRP 47 HH2 TRP 47 -3.709 12.610 -0.345 333 H CYS 48 H CYS 48 -1.103 4.642 -4.079 334 HA CYS 48 HA CYS 48 -0.994 2.717 -1.932 335 1HB CYS 48 1HB CYS 48 -3.033 3.333 -3.438 336 2HB CYS 48 2HB CYS 48 -2.296 2.242 -4.595 337 H PHE 49 H PHE 49 0.682 1.264 -1.831 338 HA PHE 49 HA PHE 49 1.737 0.252 -4.352 339 1HB PHE 49 1HB PHE 49 4.060 0.527 -3.211 340 2HB PHE 49 2HB PHE 49 3.306 2.015 -3.747 341 HD1 PHE 49 HD1 PHE 49 3.645 -0.142 -0.729 342 HD2 PHE 49 HD2 PHE 49 3.046 3.774 -2.251 343 HE1 PHE 49 HE1 PHE 49 3.833 0.790 1.595 344 HE2 PHE 49 HE2 PHE 49 3.234 4.706 0.072 345 HZ PHE 49 HZ PHE 49 3.626 3.203 1.967 346 H LYS 50 H LYS 50 3.234 -1.697 -3.925 347 HA LYS 50 HA LYS 50 1.833 -3.464 -2.196 348 1HB LYS 50 1HB LYS 50 4.405 -3.887 -3.746 349 2HB LYS 50 2HB LYS 50 3.409 -5.138 -3.030 350 1HG LYS 50 1HG LYS 50 1.473 -4.002 -4.481 351 2HG LYS 50 2HG LYS 50 2.817 -3.379 -5.418 352 1HD LYS 50 1HD LYS 50 3.470 -6.095 -5.032 353 2HD LYS 50 2HD LYS 50 1.738 -6.116 -5.299 354 1HE LYS 50 1HE LYS 50 2.683 -4.295 -7.230 355 2HE LYS 50 2HE LYS 50 3.913 -5.544 -7.205 356 1HZ LYS 50 1HZ LYS 50 1.057 -6.184 -7.363 357 2HZ LYS 50 2HZ LYS 50 1.968 -5.927 -8.694 358 3HZ LYS 50 3HZ LYS 50 2.323 -7.163 -7.687 359 HA PRO 51 HA PRO 51 4.297 -3.224 1.338 360 1HB PRO 51 1HB PRO 51 4.402 -5.797 2.253 361 2HB PRO 51 2HB PRO 51 3.010 -4.756 2.479 362 1HG PRO 51 1HG PRO 51 3.353 -7.010 0.598 363 2HG PRO 51 2HG PRO 51 1.871 -6.245 1.136 364 1HD PRO 51 1HD PRO 51 3.168 -5.881 -1.396 365 2HD PRO 51 2HD PRO 51 1.751 -5.030 -0.812 366 H LEU 52 H LEU 52 6.355 -2.660 1.604 367 HA LEU 52 HA LEU 52 8.341 -3.199 -0.031 368 1HB LEU 52 1HB LEU 52 8.571 -1.735 1.849 369 2HB LEU 52 2HB LEU 52 8.458 -3.069 2.980 370 HG LEU 52 HG LEU 52 10.715 -2.685 0.994 371 1HD1 LEU 52 1HD1 LEU 52 10.564 -2.019 3.945 372 2HD1 LEU 52 2HD1 LEU 52 12.064 -2.058 2.987 373 3HD1 LEU 52 3HD1 LEU 52 10.784 -0.887 2.589 374 1HD2 LEU 52 1HD2 LEU 52 9.957 -4.873 2.797 375 2HD2 LEU 52 2HD2 LEU 52 11.056 -4.858 1.397 376 3HD2 LEU 52 3HD2 LEU 52 11.639 -4.325 2.992 377 H GLN 53 H GLN 53 9.721 -4.836 -0.651 378 HA GLN 53 HA GLN 53 8.868 -7.425 -0.254 379 1HB GLN 53 1HB GLN 53 11.209 -7.988 -1.215 380 2HB GLN 53 2HB GLN 53 10.135 -7.022 -2.206 381 1HG GLN 53 1HG GLN 53 11.844 -5.440 -0.346 382 2HG GLN 53 2HG GLN 53 12.735 -6.327 -1.567 383 2HE2 GLN 53 2HE2 GLN 53 11.173 -3.510 -0.864 384 1HE2 GLN 53 1HE2 GLN 53 10.866 -2.892 -2.453 385 H GLU 54 H GLU 54 8.621 -7.691 2.072 386 HA GLU 54 HA GLU 54 10.504 -7.231 3.944 387 1HB GLU 54 1HB GLU 54 9.233 -8.604 5.365 388 2HB GLU 54 2HB GLU 54 8.069 -8.153 4.135 389 1HG GLU 54 1HG GLU 54 8.685 -10.317 2.899 390 2HG GLU 54 2HG GLU 54 9.624 -10.773 4.307 391 H ALA 55 H ALA 55 12.576 -7.918 4.245 392 HA ALA 55 HA ALA 55 13.309 -10.615 4.092 393 1HB ALA 55 1HB ALA 55 13.608 -10.845 1.867 394 2HB ALA 55 2HB ALA 55 15.002 -9.753 2.049 395 3HB ALA 55 3HB ALA 55 13.413 -9.099 1.583 396 H GLU 56 H GLU 56 13.688 -9.255 6.218 397 HA GLU 56 HA GLU 56 16.369 -8.123 5.993 398 1HB GLU 56 1HB GLU 56 15.781 -6.794 8.057 399 2HB GLU 56 2HB GLU 56 14.840 -6.367 6.642 400 1HG GLU 56 1HG GLU 56 12.994 -7.889 7.449 401 2HG GLU 56 2HG GLU 56 13.930 -8.221 8.893 402 H CYS 57 H CYS 57 14.071 -10.081 7.966 403 HA CYS 57 HA CYS 57 16.423 -11.321 9.195 404 1HB CYS 57 1HB CYS 57 13.766 -10.741 10.521 405 2HB CYS 57 2HB CYS 57 15.056 -11.696 11.225 406 H THR 58 H THR 58 15.856 -13.641 9.967 407 HA THR 58 HA THR 58 14.984 -15.171 7.862 408 HB THR 58 HB THR 58 16.312 -15.775 10.018 409 HG1 THR 58 HG1 THR 58 14.015 -17.375 9.127 410 1HG2 THR 58 1HG2 THR 58 14.096 -15.071 11.417 411 2HG2 THR 58 2HG2 THR 58 13.661 -16.760 11.061 412 3HG2 THR 58 3HG2 THR 58 15.157 -16.395 11.954 413 H PHE 59 H PHE 59 13.092 -16.331 7.341 414 HA PHE 59 HA PHE 59 10.790 -14.981 7.291 415 1HB PHE 59 1HB PHE 59 11.760 -17.738 7.031 416 2HB PHE 59 2HB PHE 59 10.166 -17.772 7.758 417 HD1 PHE 59 HD1 PHE 59 8.304 -16.446 6.539 418 HD2 PHE 59 HD2 PHE 59 11.980 -17.539 4.721 419 HE1 PHE 59 HE1 PHE 59 7.265 -16.171 4.271 420 HE2 PHE 59 HE2 PHE 59 10.940 -17.264 2.453 421 HZ PHE 59 HZ PHE 59 8.595 -16.583 2.255 No H/Q in entry = 421 Start of MODEL 73 1 H GLU 1 H GLU 1 6.855 -12.132 23.538 2 HA GLU 1 HA GLU 1 6.187 -10.401 22.333 3 1HB GLU 1 1HB GLU 1 9.037 -11.010 21.625 4 2HB GLU 1 2HB GLU 1 8.250 -9.752 20.692 5 1HG GLU 1 1HG GLU 1 9.020 -8.460 22.458 6 2HG GLU 1 2HG GLU 1 7.457 -8.907 23.111 7 H GLU 2 H GLU 2 4.404 -10.877 21.040 8 HA GLU 2 HA GLU 2 4.441 -12.529 18.863 9 1HB GLU 2 1HB GLU 2 2.597 -10.719 20.140 10 2HB GLU 2 2HB GLU 2 2.506 -10.447 18.411 11 1HG GLU 2 1HG GLU 2 2.580 -13.216 18.521 12 2HG GLU 2 2HG GLU 2 1.710 -12.838 19.995 13 H TYR 3 H TYR 3 3.874 -11.739 16.503 14 HA TYR 3 HA TYR 3 5.980 -9.846 15.781 15 1HB TYR 3 1HB TYR 3 5.942 -11.084 13.718 16 2HB TYR 3 2HB TYR 3 5.533 -12.319 14.892 17 HD1 TYR 3 HD1 TYR 3 3.130 -13.019 15.175 18 HD2 TYR 3 HD2 TYR 3 4.391 -10.415 12.023 19 HE1 TYR 3 HE1 TYR 3 0.979 -13.499 13.908 20 HE2 TYR 3 HE2 TYR 3 2.235 -10.904 10.766 21 HH TYR 3 HH TYR 3 0.194 -11.747 10.960 22 H VAL 4 H VAL 4 5.563 -7.860 14.905 23 HA VAL 4 HA VAL 4 2.845 -7.373 13.940 24 HB VAL 4 HB VAL 4 4.353 -5.867 16.064 25 1HG1 VAL 4 1HG1 VAL 4 2.157 -4.824 14.253 26 2HG1 VAL 4 2HG1 VAL 4 2.554 -4.097 15.829 27 3HG1 VAL 4 3HG1 VAL 4 3.774 -4.133 14.532 28 1HG2 VAL 4 1HG2 VAL 4 1.508 -6.912 15.863 29 2HG2 VAL 4 2HG2 VAL 4 2.828 -7.596 16.842 30 3HG2 VAL 4 3HG2 VAL 4 2.170 -5.988 17.232 31 H GLY 5 H GLY 5 3.452 -7.317 11.777 32 1HA GLY 5 1HA GLY 5 5.559 -6.659 10.428 33 2HA GLY 5 2HA GLY 5 5.192 -5.061 11.048 34 H LEU 6 H LEU 6 2.172 -6.198 10.987 35 HA LEU 6 HA LEU 6 1.791 -5.894 8.104 36 1HB LEU 6 1HB LEU 6 -0.301 -6.956 8.383 37 2HB LEU 6 2HB LEU 6 0.905 -7.909 9.225 38 HG LEU 6 HG LEU 6 -0.072 -6.222 11.209 39 1HD1 LEU 6 1HD1 LEU 6 -1.946 -6.021 9.207 40 2HD1 LEU 6 2HD1 LEU 6 -2.604 -7.323 10.227 41 3HD1 LEU 6 3HD1 LEU 6 -2.235 -5.734 10.939 42 1HD2 LEU 6 1HD2 LEU 6 -0.229 -9.079 10.490 43 2HD2 LEU 6 2HD2 LEU 6 0.240 -8.294 12.017 44 3HD2 LEU 6 3HD2 LEU 6 -1.481 -8.511 11.621 45 H SER 7 H SER 7 2.603 -3.548 9.218 46 HA SER 7 HA SER 7 0.655 -1.816 8.514 47 1HB SER 7 1HB SER 7 0.173 -0.889 10.959 48 2HB SER 7 2HB SER 7 -0.824 -2.154 10.267 49 HG SER 7 HG SER 7 0.680 -2.244 12.525 50 H ALA 8 H ALA 8 2.057 -0.241 7.829 51 HA ALA 8 HA ALA 8 3.484 1.479 8.066 52 1HB ALA 8 1HB ALA 8 4.252 2.185 10.130 53 2HB ALA 8 2HB ALA 8 4.551 0.529 10.708 54 3HB ALA 8 3HB ALA 8 2.889 1.163 10.645 55 H ASN 9 H ASN 9 4.794 -1.529 9.640 56 HA ASN 9 HA ASN 9 7.334 -1.220 8.627 57 1HB ASN 9 1HB ASN 9 6.522 -2.840 10.456 58 2HB ASN 9 2HB ASN 9 5.919 -3.878 9.179 59 2HD2 ASN 9 2HD2 ASN 9 7.923 -4.465 11.138 60 1HD2 ASN 9 1HD2 ASN 9 9.401 -4.836 10.315 61 H GLN 10 H GLN 10 4.521 -3.245 7.498 62 HA GLN 10 HA GLN 10 5.837 -4.198 5.234 63 1HB GLN 10 1HB GLN 10 3.437 -4.753 4.488 64 2HB GLN 10 2HB GLN 10 3.970 -5.451 6.004 65 1HG GLN 10 1HG GLN 10 2.717 -3.884 7.310 66 2HG GLN 10 2HG GLN 10 2.524 -2.778 5.963 67 2HE2 GLN 10 2HE2 GLN 10 1.726 -4.327 3.917 68 1HE2 GLN 10 1HE2 GLN 10 0.195 -5.073 4.230 69 H CYS 11 H CYS 11 4.147 -1.191 5.973 70 HA CYS 11 HA CYS 11 4.344 -0.466 3.140 71 1HB CYS 11 1HB CYS 11 2.612 1.085 5.007 72 2HB CYS 11 2HB CYS 11 2.455 0.823 3.281 73 H ALA 12 H ALA 12 6.677 -0.426 4.654 74 HA ALA 12 HA ALA 12 6.961 2.423 5.328 75 1HB ALA 12 1HB ALA 12 9.081 1.085 6.523 76 2HB ALA 12 2HB ALA 12 7.592 1.613 7.341 77 3HB ALA 12 3HB ALA 12 7.725 -0.051 6.723 78 H VAL 13 H VAL 13 7.082 2.126 2.724 79 HA VAL 13 HA VAL 13 9.808 1.405 1.986 80 HB VAL 13 HB VAL 13 7.948 2.369 -0.075 81 1HG1 VAL 13 1HG1 VAL 13 10.121 0.453 0.265 82 2HG1 VAL 13 2HG1 VAL 13 8.754 -0.241 -0.639 83 3HG1 VAL 13 3HG1 VAL 13 9.528 1.258 -1.207 84 1HG2 VAL 13 1HG2 VAL 13 7.189 0.119 1.768 85 2HG2 VAL 13 2HG2 VAL 13 6.170 1.371 1.018 86 3HG2 VAL 13 3HG2 VAL 13 6.782 0.017 0.038 87 HA PRO 14 HA PRO 14 11.018 5.544 1.716 88 1HB PRO 14 1HB PRO 14 13.038 5.413 -0.120 89 2HB PRO 14 2HB PRO 14 13.241 4.965 1.562 90 1HG PRO 14 1HG PRO 14 13.010 3.213 -0.809 91 2HG PRO 14 2HG PRO 14 13.628 2.827 0.785 92 1HD PRO 14 1HD PRO 14 11.065 2.107 -0.283 93 2HD PRO 14 2HD PRO 14 11.638 1.823 1.348 94 H ALA 15 H ALA 15 9.205 4.138 -0.547 95 HA ALA 15 HA ALA 15 7.783 5.143 -1.967 96 1HB ALA 15 1HB ALA 15 8.790 7.359 -0.659 97 2HB ALA 15 2HB ALA 15 7.529 7.393 -1.914 98 3HB ALA 15 3HB ALA 15 9.228 7.686 -2.353 99 H LYS 16 H LYS 16 11.297 5.199 -2.248 100 HA LYS 16 HA LYS 16 11.160 5.332 -5.141 101 1HB LYS 16 1HB LYS 16 13.592 5.381 -5.034 102 2HB LYS 16 2HB LYS 16 12.900 6.594 -3.976 103 1HG LYS 16 1HG LYS 16 14.388 5.685 -2.466 104 2HG LYS 16 2HG LYS 16 13.064 4.573 -2.183 105 1HD LYS 16 1HD LYS 16 14.986 3.185 -2.514 106 2HD LYS 16 2HD LYS 16 14.076 3.070 -4.007 107 1HE LYS 16 1HE LYS 16 15.544 4.822 -5.036 108 2HE LYS 16 2HE LYS 16 16.455 4.934 -3.543 109 1HZ LYS 16 1HZ LYS 16 16.384 2.276 -4.172 110 2HZ LYS 16 2HZ LYS 16 16.676 3.030 -5.591 111 3HZ LYS 16 3HZ LYS 16 17.663 3.281 -4.314 112 H ASP 17 H ASP 17 10.355 3.037 -2.970 113 HA ASP 17 HA ASP 17 11.455 0.950 -4.681 114 1HB ASP 17 1HB ASP 17 11.834 1.320 -1.868 115 2HB ASP 17 2HB ASP 17 10.731 -0.032 -2.034 116 H ARG 18 H ARG 18 8.839 2.609 -4.517 117 HA ARG 18 HA ARG 18 6.903 0.812 -3.529 118 1HB ARG 18 1HB ARG 18 6.396 3.103 -5.477 119 2HB ARG 18 2HB ARG 18 5.285 2.447 -4.291 120 1HG ARG 18 1HG ARG 18 7.915 3.592 -3.332 121 2HG ARG 18 2HG ARG 18 6.642 4.699 -3.806 122 1HD ARG 18 1HD ARG 18 5.298 2.810 -2.209 123 2HD ARG 18 2HD ARG 18 6.840 3.003 -1.399 124 HE ARG 18 HE ARG 18 5.418 5.487 -2.198 125 1HH1 ARG 18 1HH1 ARG 18 6.338 3.253 0.360 126 2HH1 ARG 18 2HH1 ARG 18 5.987 4.369 1.637 127 1HH2 ARG 18 1HH2 ARG 18 4.955 6.961 -0.513 128 2HH2 ARG 18 2HH2 ARG 18 5.195 6.493 1.137 129 H VAL 19 H VAL 19 5.624 -0.690 -4.677 130 HA VAL 19 HA VAL 19 6.546 -1.245 -7.384 131 HB VAL 19 HB VAL 19 4.706 -2.875 -5.631 132 1HG1 VAL 19 1HG1 VAL 19 6.091 -3.277 -8.236 133 2HG1 VAL 19 2HG1 VAL 19 6.058 -4.664 -7.120 134 3HG1 VAL 19 3HG1 VAL 19 4.534 -3.911 -7.650 135 1HG2 VAL 19 1HG2 VAL 19 6.928 -2.326 -4.529 136 2HG2 VAL 19 2HG2 VAL 19 6.573 -4.056 -4.747 137 3HG2 VAL 19 3HG2 VAL 19 7.707 -3.235 -5.845 138 H ASP 20 H ASP 20 4.347 0.780 -6.016 139 HA ASP 20 HA ASP 20 2.390 1.587 -6.547 140 1HB ASP 20 1HB ASP 20 3.510 2.544 -8.420 141 2HB ASP 20 2HB ASP 20 3.654 1.002 -9.240 142 H CYS 21 H CYS 21 0.821 0.091 -5.741 143 HA CYS 21 HA CYS 21 0.297 -2.359 -7.021 144 1HB CYS 21 1HB CYS 21 -0.307 -1.220 -4.583 145 2HB CYS 21 2HB CYS 21 -1.869 -1.266 -5.375 146 H GLY 22 H GLY 22 -0.682 0.982 -7.498 147 1HA GLY 22 1HA GLY 22 -1.995 0.427 -9.933 148 2HA GLY 22 2HA GLY 22 -1.956 1.955 -9.076 149 H TYR 23 H TYR 23 -3.690 2.580 -7.725 150 HA TYR 23 HA TYR 23 -6.054 0.878 -8.004 151 1HB TYR 23 1HB TYR 23 -4.589 1.930 -5.554 152 2HB TYR 23 2HB TYR 23 -6.340 1.921 -5.478 153 HD1 TYR 23 HD1 TYR 23 -7.534 -0.337 -5.979 154 HD2 TYR 23 HD2 TYR 23 -3.374 -0.011 -5.036 155 HE1 TYR 23 HE1 TYR 23 -7.486 -2.789 -5.309 156 HE2 TYR 23 HE2 TYR 23 -3.340 -2.465 -4.369 157 HH TYR 23 HH TYR 23 -4.809 -4.153 -3.654 158 HA PRO 24 HA PRO 24 -7.927 4.689 -8.841 159 1HB PRO 24 1HB PRO 24 -10.560 4.075 -8.442 160 2HB PRO 24 2HB PRO 24 -9.693 3.667 -9.908 161 1HG PRO 24 1HG PRO 24 -10.507 1.899 -7.683 162 2HG PRO 24 2HG PRO 24 -10.034 1.464 -9.313 163 1HD PRO 24 1HD PRO 24 -8.435 1.231 -6.943 164 2HD PRO 24 2HD PRO 24 -7.925 0.907 -8.588 165 H HIS 25 H HIS 25 -10.138 3.593 -6.347 166 HA HIS 25 HA HIS 25 -9.720 6.135 -5.042 167 1HB HIS 25 1HB HIS 25 -11.695 5.664 -3.826 168 2HB HIS 25 2HB HIS 25 -11.994 5.179 -5.483 169 HD1 HIS 25 HD1 HIS 25 -13.579 4.029 -3.004 170 HD2 HIS 25 HD2 HIS 25 -10.340 2.154 -4.901 171 HE1 HIS 25 HE1 HIS 25 -13.792 1.539 -2.488 172 HE2 HIS 25 HE2 HIS 25 -11.806 0.433 -3.725 173 H VAL 26 H VAL 26 -7.565 5.901 -4.237 174 HA VAL 26 HA VAL 26 -7.151 3.714 -2.355 175 HB VAL 26 HB VAL 26 -4.807 4.544 -2.383 176 1HG1 VAL 26 1HG1 VAL 26 -6.026 3.873 -5.084 177 2HG1 VAL 26 2HG1 VAL 26 -4.300 3.747 -4.669 178 3HG1 VAL 26 3HG1 VAL 26 -5.490 2.714 -3.844 179 1HG2 VAL 26 1HG2 VAL 26 -5.575 6.919 -3.086 180 2HG2 VAL 26 2HG2 VAL 26 -4.064 6.272 -3.771 181 3HG2 VAL 26 3HG2 VAL 26 -5.556 6.269 -4.743 182 H THR 27 H THR 27 -6.829 4.026 -0.143 183 HA THR 27 HA THR 27 -6.691 6.716 0.895 184 HB THR 27 HB THR 27 -8.824 6.766 1.912 185 HG1 THR 27 HG1 THR 27 -9.978 4.549 1.961 186 1HG2 THR 27 1HG2 THR 27 -9.242 5.014 -0.568 187 2HG2 THR 27 2HG2 THR 27 -10.538 5.869 0.303 188 3HG2 THR 27 3HG2 THR 27 -9.268 6.793 -0.535 189 HA PRO 28 HA PRO 28 -4.722 4.720 4.147 190 1HB PRO 28 1HB PRO 28 -5.460 6.092 6.393 191 2HB PRO 28 2HB PRO 28 -4.265 6.685 5.257 192 1HG PRO 28 1HG PRO 28 -7.061 7.566 5.633 193 2HG PRO 28 2HG PRO 28 -5.747 8.400 4.830 194 1HD PRO 28 1HD PRO 28 -7.920 7.013 3.574 195 2HD PRO 28 2HD PRO 28 -6.545 7.747 2.775 196 H LYS 29 H LYS 29 -7.003 3.333 3.295 197 HA LYS 29 HA LYS 29 -7.218 1.509 5.366 198 1HB LYS 29 1HB LYS 29 -8.549 3.610 6.256 199 2HB LYS 29 2HB LYS 29 -9.815 3.005 5.207 200 1HG LYS 29 1HG LYS 29 -8.429 1.026 7.013 201 2HG LYS 29 2HG LYS 29 -9.548 2.155 7.751 202 1HD LYS 29 1HD LYS 29 -10.938 1.271 5.477 203 2HD LYS 29 2HD LYS 29 -10.104 -0.171 6.020 204 1HE LYS 29 1HE LYS 29 -11.087 -0.001 8.246 205 2HE LYS 29 2HE LYS 29 -11.725 1.596 7.909 206 1HZ LYS 29 1HZ LYS 29 -12.656 -0.095 5.936 207 2HZ LYS 29 2HZ LYS 29 -12.885 -0.870 7.355 208 3HZ LYS 29 3HZ LYS 29 -13.516 0.619 7.127 209 H GLU 30 H GLU 30 -9.035 3.137 2.694 210 HA GLU 30 HA GLU 30 -10.255 0.755 1.868 211 1HB GLU 30 1HB GLU 30 -11.168 2.993 1.345 212 2HB GLU 30 2HB GLU 30 -9.762 3.365 0.368 213 1HG GLU 30 1HG GLU 30 -10.766 2.411 -1.424 214 2HG GLU 30 2HG GLU 30 -10.750 0.865 -0.600 215 H CYS 31 H CYS 31 -7.296 2.552 0.845 216 HA CYS 31 HA CYS 31 -6.721 0.913 -1.341 217 1HB CYS 31 1HB CYS 31 -5.577 2.879 -1.440 218 2HB CYS 31 2HB CYS 31 -5.257 2.926 0.282 219 H ASN 32 H ASN 32 -5.945 0.801 2.172 220 HA ASN 32 HA ASN 32 -4.237 -1.446 1.837 221 1HB ASN 32 1HB ASN 32 -3.561 -0.774 3.912 222 2HB ASN 32 2HB ASN 32 -4.790 0.474 3.883 223 2HD2 ASN 32 2HD2 ASN 32 -7.061 -0.321 4.353 224 1HD2 ASN 32 1HD2 ASN 32 -7.261 -1.413 5.683 225 H ASN 33 H ASN 33 -7.566 -0.976 1.676 226 HA ASN 33 HA ASN 33 -8.206 -3.428 3.076 227 1HB ASN 33 1HB ASN 33 -9.698 -1.547 3.560 228 2HB ASN 33 2HB ASN 33 -9.917 -1.205 1.855 229 2HD2 ASN 33 2HD2 ASN 33 -11.113 -2.628 0.548 230 1HD2 ASN 33 1HD2 ASN 33 -12.293 -3.712 1.205 231 H ARG 34 H ARG 34 -8.181 -1.803 -0.132 232 HA ARG 34 HA ARG 34 -9.633 -3.664 -1.530 233 1HB ARG 34 1HB ARG 34 -8.405 -1.294 -2.140 234 2HB ARG 34 2HB ARG 34 -7.284 -2.398 -2.911 235 1HG ARG 34 1HG ARG 34 -8.963 -1.802 -4.558 236 2HG ARG 34 2HG ARG 34 -9.236 -3.475 -4.112 237 1HD ARG 34 1HD ARG 34 -10.997 -2.701 -2.459 238 2HD ARG 34 2HD ARG 34 -10.767 -1.060 -3.028 239 HE ARG 34 HE ARG 34 -11.911 -1.591 -5.017 240 1HH1 ARG 34 1HH1 ARG 34 -11.161 -4.536 -3.244 241 2HH1 ARG 34 2HH1 ARG 34 -12.153 -5.544 -4.245 242 1HH2 ARG 34 1HH2 ARG 34 -13.220 -2.919 -6.338 243 2HH2 ARG 34 2HH2 ARG 34 -13.332 -4.618 -6.016 244 H GLY 35 H GLY 35 -6.329 -3.723 -0.280 245 1HA GLY 35 1HA GLY 35 -5.845 -6.268 -1.713 246 2HA GLY 35 2HA GLY 35 -5.479 -6.027 -0.016 247 H CYS 36 H CYS 36 -3.976 -4.077 0.497 248 HA CYS 36 HA CYS 36 -1.552 -4.465 -0.634 249 1HB CYS 36 1HB CYS 36 -3.131 -3.098 -2.510 250 2HB CYS 36 2HB CYS 36 -2.084 -1.876 -1.816 251 H CYS 37 H CYS 37 -0.630 -1.643 -0.612 252 HA CYS 37 HA CYS 37 -1.331 -0.969 2.153 253 1HB CYS 37 1HB CYS 37 1.324 -1.193 0.812 254 2HB CYS 37 2HB CYS 37 1.110 0.081 1.996 255 H PHE 38 H PHE 38 -1.337 1.370 2.616 256 HA PHE 38 HA PHE 38 -1.656 2.950 0.161 257 1HB PHE 38 1HB PHE 38 -3.750 2.629 1.460 258 2HB PHE 38 2HB PHE 38 -2.930 3.026 2.957 259 HD1 PHE 38 HD1 PHE 38 -4.192 4.424 -0.215 260 HD2 PHE 38 HD2 PHE 38 -2.652 5.289 3.644 261 HE1 PHE 38 HE1 PHE 38 -4.863 6.827 -0.485 262 HE2 PHE 38 HE2 PHE 38 -3.323 7.692 3.373 263 HZ PHE 38 HZ PHE 38 -4.421 8.433 1.312 264 H ASP 39 H ASP 39 -1.437 5.450 0.747 265 HA ASP 39 HA ASP 39 0.145 6.222 2.846 266 1HB ASP 39 1HB ASP 39 1.940 4.871 1.843 267 2HB ASP 39 2HB ASP 39 1.683 5.619 0.279 268 H SER 40 H SER 40 0.315 8.548 2.783 269 HA SER 40 HA SER 40 -0.419 9.756 0.238 270 1HB SER 40 1HB SER 40 -1.935 11.301 1.350 271 2HB SER 40 2HB SER 40 -2.406 9.664 1.762 272 HG SER 40 HG SER 40 -2.053 10.089 3.827 273 H ARG 41 H ARG 41 2.117 9.290 1.995 274 HA ARG 41 HA ARG 41 2.861 11.663 3.143 275 1HB ARG 41 1HB ARG 41 3.998 9.204 2.929 276 2HB ARG 41 2HB ARG 41 4.956 10.030 1.716 277 1HG ARG 41 1HG ARG 41 5.421 11.850 3.464 278 2HG ARG 41 2HG ARG 41 4.652 10.814 4.649 279 1HD ARG 41 1HD ARG 41 6.731 9.914 4.951 280 2HD ARG 41 2HD ARG 41 6.425 9.044 3.460 281 HE ARG 41 HE ARG 41 7.968 10.421 2.364 282 1HH1 ARG 41 1HH1 ARG 41 7.026 11.935 5.398 283 2HH1 ARG 41 2HH1 ARG 41 8.200 13.202 5.278 284 1HH2 ARG 41 1HH2 ARG 41 9.517 12.094 2.205 285 2HH2 ARG 41 2HH2 ARG 41 9.627 13.293 3.449 286 H ILE 42 H ILE 42 3.406 10.400 -0.218 287 HA ILE 42 HA ILE 42 3.602 13.147 -1.137 288 HB ILE 42 HB ILE 42 5.621 12.002 -2.572 289 1HG1 ILE 42 1HG1 ILE 42 7.176 11.006 -0.918 290 2HG1 ILE 42 2HG1 ILE 42 5.900 11.017 0.283 291 1HG2 ILE 42 1HG2 ILE 42 5.297 14.035 -0.516 292 2HG2 ILE 42 2HG2 ILE 42 6.917 13.296 -0.478 293 3HG2 ILE 42 3HG2 ILE 42 6.310 14.033 -1.980 294 1HD1 ILE 42 1HD1 ILE 42 5.111 9.770 -2.296 295 2HD1 ILE 42 2HD1 ILE 42 6.410 8.919 -1.427 296 3HD1 ILE 42 3HD1 ILE 42 4.845 9.204 -0.630 297 HA PRO 43 HA PRO 43 1.186 11.276 -4.208 298 1HB PRO 43 1HB PRO 43 0.900 13.419 -5.880 299 2HB PRO 43 2HB PRO 43 -0.088 13.179 -4.453 300 1HG PRO 43 1HG PRO 43 2.141 15.076 -4.864 301 2HG PRO 43 2HG PRO 43 0.888 15.103 -3.640 302 1HD PRO 43 1HD PRO 43 3.615 14.287 -3.287 303 2HD PRO 43 2HD PRO 43 2.334 14.205 -2.094 304 H GLY 44 H GLY 44 4.064 13.044 -5.116 305 1HA GLY 44 1HA GLY 44 5.722 12.414 -6.518 306 2HA GLY 44 2HA GLY 44 4.427 12.343 -7.696 307 H VAL 45 H VAL 45 4.470 10.179 -4.864 308 HA VAL 45 HA VAL 45 5.377 8.000 -6.603 309 HB VAL 45 HB VAL 45 6.332 7.031 -4.800 310 1HG1 VAL 45 1HG1 VAL 45 6.171 9.942 -3.961 311 2HG1 VAL 45 2HG1 VAL 45 7.262 8.745 -3.224 312 3HG1 VAL 45 3HG1 VAL 45 7.434 9.165 -4.945 313 1HG2 VAL 45 1HG2 VAL 45 4.114 8.250 -3.141 314 2HG2 VAL 45 2HG2 VAL 45 4.427 6.532 -3.490 315 3HG2 VAL 45 3HG2 VAL 45 5.518 7.434 -2.411 316 HA PRO 46 HA PRO 46 1.518 6.068 -6.322 317 1HB PRO 46 1HB PRO 46 2.054 3.421 -5.905 318 2HB PRO 46 2HB PRO 46 2.210 4.196 -7.469 319 1HG PRO 46 1HG PRO 46 4.337 3.368 -5.590 320 2HG PRO 46 2HG PRO 46 4.465 3.741 -7.298 321 1HD PRO 46 1HD PRO 46 5.250 5.422 -5.111 322 2HD PRO 46 2HD PRO 46 5.269 5.839 -6.813 323 H TRP 47 H TRP 47 0.567 7.174 -4.601 324 HA TRP 47 HA TRP 47 0.940 6.896 -2.007 325 1HB TRP 47 1HB TRP 47 -1.537 7.170 -3.637 326 2HB TRP 47 2HB TRP 47 -1.724 6.845 -1.925 327 HD1 TRP 47 HD1 TRP 47 1.194 9.078 -3.064 328 HE1 TRP 47 HE1 TRP 47 0.866 11.571 -2.264 329 HE3 TRP 47 HE3 TRP 47 -3.554 8.457 -1.353 330 HZ2 TRP 47 HZ2 TRP 47 -1.294 12.972 -1.033 331 HZ3 TRP 47 HZ3 TRP 47 -4.701 10.438 -0.366 332 HH2 TRP 47 HH2 TRP 47 -3.648 12.637 -0.192 333 H CYS 48 H CYS 48 -1.017 4.575 -4.011 334 HA CYS 48 HA CYS 48 -0.955 2.714 -1.786 335 1HB CYS 48 1HB CYS 48 -3.036 3.286 -3.194 336 2HB CYS 48 2HB CYS 48 -2.322 2.272 -4.432 337 H PHE 49 H PHE 49 0.893 1.475 -1.679 338 HA PHE 49 HA PHE 49 1.880 0.392 -4.219 339 1HB PHE 49 1HB PHE 49 4.176 0.589 -2.983 340 2HB PHE 49 2HB PHE 49 3.473 2.094 -3.541 341 HD1 PHE 49 HD1 PHE 49 3.583 -0.087 -0.517 342 HD2 PHE 49 HD2 PHE 49 3.254 3.856 -2.053 343 HE1 PHE 49 HE1 PHE 49 3.697 0.832 1.816 344 HE2 PHE 49 HE2 PHE 49 3.368 4.774 0.280 345 HZ PHE 49 HZ PHE 49 3.589 3.251 2.187 346 H LYS 50 H LYS 50 3.293 -1.608 -3.858 347 HA LYS 50 HA LYS 50 1.844 -3.418 -2.243 348 1HB LYS 50 1HB LYS 50 4.419 -3.675 -3.819 349 2HB LYS 50 2HB LYS 50 3.655 -5.014 -2.986 350 1HG LYS 50 1HG LYS 50 1.518 -3.912 -4.395 351 2HG LYS 50 2HG LYS 50 2.855 -3.652 -5.498 352 1HD LYS 50 1HD LYS 50 3.221 -6.292 -4.522 353 2HD LYS 50 2HD LYS 50 1.497 -6.151 -4.800 354 1HE LYS 50 1HE LYS 50 2.714 -4.904 -7.048 355 2HE LYS 50 2HE LYS 50 3.666 -6.346 -6.754 356 1HZ LYS 50 1HZ LYS 50 1.342 -7.417 -6.526 357 2HZ LYS 50 2HZ LYS 50 0.845 -6.135 -7.407 358 3HZ LYS 50 3HZ LYS 50 1.974 -7.151 -8.008 359 HA PRO 51 HA PRO 51 4.115 -3.331 1.426 360 1HB PRO 51 1HB PRO 51 4.209 -5.943 2.225 361 2HB PRO 51 2HB PRO 51 2.792 -4.931 2.421 362 1HG PRO 51 1HG PRO 51 3.270 -7.090 0.459 363 2HG PRO 51 2HG PRO 51 1.750 -6.370 0.951 364 1HD PRO 51 1HD PRO 51 3.176 -5.870 -1.487 365 2HD PRO 51 2HD PRO 51 1.717 -5.066 -0.942 366 H LEU 52 H LEU 52 6.145 -2.703 1.747 367 HA LEU 52 HA LEU 52 8.218 -3.167 0.221 368 1HB LEU 52 1HB LEU 52 8.480 -1.757 2.061 369 2HB LEU 52 2HB LEU 52 8.066 -3.010 3.214 370 HG LEU 52 HG LEU 52 10.524 -3.401 1.556 371 1HD1 LEU 52 1HD1 LEU 52 10.364 -0.965 2.505 372 2HD1 LEU 52 2HD1 LEU 52 10.751 -1.756 4.052 373 3HD1 LEU 52 3HD1 LEU 52 11.867 -1.903 2.674 374 1HD2 LEU 52 1HD2 LEU 52 9.307 -4.608 3.837 375 2HD2 LEU 52 2HD2 LEU 52 10.788 -5.084 2.972 376 3HD2 LEU 52 3HD2 LEU 52 10.880 -3.935 4.328 377 H GLN 53 H GLN 53 8.507 -5.061 -0.906 378 HA GLN 53 HA GLN 53 8.236 -7.558 0.339 379 1HB GLN 53 1HB GLN 53 9.568 -8.218 -1.892 380 2HB GLN 53 2HB GLN 53 7.879 -7.754 -1.932 381 1HG GLN 53 1HG GLN 53 9.418 -6.584 -3.631 382 2HG GLN 53 2HG GLN 53 8.374 -5.540 -2.687 383 2HE2 GLN 53 2HE2 GLN 53 9.303 -3.797 -1.967 384 1HE2 GLN 53 1HE2 GLN 53 10.956 -3.599 -1.488 385 H GLU 54 H GLU 54 9.788 -6.535 2.182 386 HA GLU 54 HA GLU 54 12.206 -8.000 1.885 387 1HB GLU 54 1HB GLU 54 12.384 -5.393 1.031 388 2HB GLU 54 2HB GLU 54 12.790 -5.201 2.725 389 1HG GLU 54 1HG GLU 54 14.753 -6.430 2.549 390 2HG GLU 54 2HG GLU 54 14.109 -7.494 1.314 391 H ALA 55 H ALA 55 9.854 -8.210 3.534 392 HA ALA 55 HA ALA 55 11.002 -7.506 6.150 393 1HB ALA 55 1HB ALA 55 8.350 -7.060 4.966 394 2HB ALA 55 2HB ALA 55 9.092 -6.328 6.409 395 3HB ALA 55 3HB ALA 55 8.274 -7.904 6.532 396 H GLU 56 H GLU 56 12.198 -9.624 5.688 397 HA GLU 56 HA GLU 56 10.775 -11.668 7.039 398 1HB GLU 56 1HB GLU 56 10.946 -13.395 5.294 399 2HB GLU 56 2HB GLU 56 9.952 -12.064 4.737 400 1HG GLU 56 1HG GLU 56 12.558 -11.312 3.974 401 2HG GLU 56 2HG GLU 56 12.525 -13.040 3.684 402 H CYS 57 H CYS 57 12.216 -13.315 7.869 403 HA CYS 57 HA CYS 57 14.122 -13.928 8.782 404 1HB CYS 57 1HB CYS 57 14.592 -15.082 6.827 405 2HB CYS 57 2HB CYS 57 14.858 -13.624 5.893 406 H THR 58 H THR 58 14.423 -12.209 10.294 407 HA THR 58 HA THR 58 16.631 -10.449 9.643 408 HB THR 58 HB THR 58 14.747 -9.089 8.884 409 HG1 THR 58 HG1 THR 58 16.102 -7.794 10.146 410 1HG2 THR 58 1HG2 THR 58 12.981 -10.392 10.266 411 2HG2 THR 58 2HG2 THR 58 13.522 -9.429 11.662 412 3HG2 THR 58 3HG2 THR 58 12.806 -8.621 10.247 413 H PHE 59 H PHE 59 14.103 -11.381 12.057 414 HA PHE 59 HA PHE 59 15.956 -10.774 14.185 415 1HB PHE 59 1HB PHE 59 13.068 -11.625 13.785 416 2HB PHE 59 2HB PHE 59 13.784 -11.979 15.344 417 HD1 PHE 59 HD1 PHE 59 14.955 -9.958 16.535 418 HD2 PHE 59 HD2 PHE 59 12.085 -9.555 13.435 419 HE1 PHE 59 HE1 PHE 59 14.469 -7.615 17.290 420 HE2 PHE 59 HE2 PHE 59 11.599 -7.211 14.190 421 HZ PHE 59 HZ PHE 59 12.797 -6.269 16.109 No H/Q in entry = 421 Start of MODEL 74 1 H GLU 1 H GLU 1 4.391 -15.250 21.002 2 HA GLU 1 HA GLU 1 5.227 -13.105 21.670 3 1HB GLU 1 1HB GLU 1 5.885 -14.417 19.108 4 2HB GLU 1 2HB GLU 1 6.359 -12.730 19.143 5 1HG GLU 1 1HG GLU 1 8.247 -13.770 20.078 6 2HG GLU 1 2HG GLU 1 7.361 -13.293 21.513 7 H GLU 2 H GLU 2 3.495 -13.034 18.477 8 HA GLU 2 HA GLU 2 2.133 -11.534 17.650 9 1HB GLU 2 1HB GLU 2 1.503 -11.052 20.107 10 2HB GLU 2 2HB GLU 2 2.601 -9.689 20.023 11 1HG GLU 2 1HG GLU 2 0.624 -9.919 17.781 12 2HG GLU 2 2HG GLU 2 -0.044 -9.533 19.355 13 H TYR 3 H TYR 3 3.602 -11.179 15.920 14 HA TYR 3 HA TYR 3 4.885 -8.572 16.021 15 1HB TYR 3 1HB TYR 3 6.540 -10.390 16.745 16 2HB TYR 3 2HB TYR 3 6.209 -11.250 15.254 17 HD1 TYR 3 HD1 TYR 3 7.543 -8.013 16.559 18 HD2 TYR 3 HD2 TYR 3 7.457 -10.795 13.310 19 HE1 TYR 3 HE1 TYR 3 9.402 -6.724 15.396 20 HE2 TYR 3 HE2 TYR 3 9.315 -9.497 12.158 21 HH TYR 3 HH TYR 3 10.401 -6.415 13.405 22 H VAL 4 H VAL 4 3.529 -7.726 14.439 23 HA VAL 4 HA VAL 4 4.134 -8.340 11.783 24 HB VAL 4 HB VAL 4 2.796 -10.371 12.386 25 1HG1 VAL 4 1HG1 VAL 4 1.195 -9.028 13.873 26 2HG1 VAL 4 2HG1 VAL 4 0.381 -8.550 12.364 27 3HG1 VAL 4 3HG1 VAL 4 0.479 -10.269 12.816 28 1HG2 VAL 4 1HG2 VAL 4 2.918 -8.998 10.060 29 2HG2 VAL 4 2HG2 VAL 4 2.037 -10.532 10.253 30 3HG2 VAL 4 3HG2 VAL 4 1.159 -8.986 10.330 31 H GLY 5 H GLY 5 4.085 -6.300 11.004 32 1HA GLY 5 1HA GLY 5 3.564 -4.077 10.978 33 2HA GLY 5 2HA GLY 5 2.353 -4.327 12.220 34 H LEU 6 H LEU 6 0.184 -4.640 11.661 35 HA LEU 6 HA LEU 6 -0.786 -5.641 9.320 36 1HB LEU 6 1HB LEU 6 -2.790 -4.092 9.883 37 2HB LEU 6 2HB LEU 6 -2.362 -5.424 10.939 38 HG LEU 6 HG LEU 6 -0.946 -3.065 11.788 39 1HD1 LEU 6 1HD1 LEU 6 -3.779 -2.654 10.986 40 2HD1 LEU 6 2HD1 LEU 6 -3.274 -1.993 12.560 41 3HD1 LEU 6 3HD1 LEU 6 -2.424 -1.502 11.075 42 1HD2 LEU 6 1HD2 LEU 6 -1.862 -5.268 12.970 43 2HD2 LEU 6 2HD2 LEU 6 -1.574 -3.755 13.862 44 3HD2 LEU 6 3HD2 LEU 6 -3.223 -4.185 13.349 45 H SER 7 H SER 7 0.179 -2.249 10.080 46 HA SER 7 HA SER 7 0.539 -1.848 7.262 47 1HB SER 7 1HB SER 7 -0.792 0.258 7.229 48 2HB SER 7 2HB SER 7 -1.791 -1.152 7.522 49 HG SER 7 HG SER 7 -2.488 -0.030 9.213 50 H ALA 8 H ALA 8 2.730 -1.389 7.465 51 HA ALA 8 HA ALA 8 3.641 1.053 8.162 52 1HB ALA 8 1HB ALA 8 3.096 -0.584 10.545 53 2HB ALA 8 2HB ALA 8 4.772 0.010 10.472 54 3HB ALA 8 3HB ALA 8 3.416 1.161 10.408 55 H ASN 9 H ASN 9 5.005 -1.973 9.578 56 HA ASN 9 HA ASN 9 7.456 -1.684 8.499 57 1HB ASN 9 1HB ASN 9 6.327 -3.520 10.131 58 2HB ASN 9 2HB ASN 9 6.298 -4.476 8.663 59 2HD2 ASN 9 2HD2 ASN 9 7.798 -4.961 11.047 60 1HD2 ASN 9 1HD2 ASN 9 9.484 -4.960 10.646 61 H GLN 10 H GLN 10 4.493 -3.206 7.119 62 HA GLN 10 HA GLN 10 5.865 -4.172 4.830 63 1HB GLN 10 1HB GLN 10 2.884 -3.837 4.812 64 2HB GLN 10 2HB GLN 10 3.855 -5.193 4.274 65 1HG GLN 10 1HG GLN 10 4.441 -5.271 6.938 66 2HG GLN 10 2HG GLN 10 2.847 -4.548 7.025 67 2HE2 GLN 10 2HE2 GLN 10 1.839 -6.281 7.912 68 1HE2 GLN 10 1HE2 GLN 10 1.545 -7.776 7.089 69 H CYS 11 H CYS 11 4.079 -1.243 5.768 70 HA CYS 11 HA CYS 11 4.346 -0.280 3.017 71 1HB CYS 11 1HB CYS 11 2.708 1.221 4.988 72 2HB CYS 11 2HB CYS 11 2.479 0.995 3.266 73 H ALA 12 H ALA 12 6.677 -0.458 4.601 74 HA ALA 12 HA ALA 12 7.058 2.310 5.509 75 1HB ALA 12 1HB ALA 12 9.216 0.783 6.402 76 2HB ALA 12 2HB ALA 12 7.802 1.269 7.368 77 3HB ALA 12 3HB ALA 12 7.826 -0.317 6.561 78 H VAL 13 H VAL 13 6.993 1.855 2.745 79 HA VAL 13 HA VAL 13 9.715 1.423 1.879 80 HB VAL 13 HB VAL 13 7.672 2.438 0.003 81 1HG1 VAL 13 1HG1 VAL 13 9.951 0.552 0.059 82 2HG1 VAL 13 2HG1 VAL 13 8.588 0.063 -0.977 83 3HG1 VAL 13 3HG1 VAL 13 9.383 1.635 -1.235 84 1HG2 VAL 13 1HG2 VAL 13 7.246 -0.038 1.658 85 2HG2 VAL 13 2HG2 VAL 13 6.073 1.192 1.130 86 3HG2 VAL 13 3HG2 VAL 13 6.704 0.005 -0.036 87 HA PRO 14 HA PRO 14 10.765 5.616 1.884 88 1HB PRO 14 1HB PRO 14 12.843 5.629 0.108 89 2HB PRO 14 2HB PRO 14 13.012 5.124 1.778 90 1HG PRO 14 1HG PRO 14 12.919 3.457 -0.661 91 2HG PRO 14 2HG PRO 14 13.502 3.034 0.936 92 1HD PRO 14 1HD PRO 14 11.002 2.262 -0.239 93 2HD PRO 14 2HD PRO 14 11.535 1.936 1.398 94 H ALA 15 H ALA 15 9.115 4.213 -0.522 95 HA ALA 15 HA ALA 15 7.662 5.267 -1.900 96 1HB ALA 15 1HB ALA 15 9.268 7.789 -2.088 97 2HB ALA 15 2HB ALA 15 7.504 7.561 -2.034 98 3HB ALA 15 3HB ALA 15 8.464 7.436 -0.540 99 H LYS 16 H LYS 16 11.151 5.148 -2.131 100 HA LYS 16 HA LYS 16 11.053 5.344 -5.033 101 1HB LYS 16 1HB LYS 16 13.487 5.358 -4.902 102 2HB LYS 16 2HB LYS 16 12.797 6.590 -3.865 103 1HG LYS 16 1HG LYS 16 14.476 5.556 -2.524 104 2HG LYS 16 2HG LYS 16 12.969 4.882 -1.935 105 1HD LYS 16 1HD LYS 16 13.344 2.784 -2.947 106 2HD LYS 16 2HD LYS 16 14.422 3.442 -4.162 107 1HE LYS 16 1HE LYS 16 15.670 4.027 -1.676 108 2HE LYS 16 2HE LYS 16 15.062 2.392 -1.505 109 1HZ LYS 16 1HZ LYS 16 16.107 2.012 -3.755 110 2HZ LYS 16 2HZ LYS 16 16.909 3.416 -3.527 111 3HZ LYS 16 3HZ LYS 16 17.126 2.175 -2.489 112 H ASP 17 H ASP 17 9.987 3.088 -3.084 113 HA ASP 17 HA ASP 17 11.132 0.982 -4.722 114 1HB ASP 17 1HB ASP 17 11.482 1.314 -1.875 115 2HB ASP 17 2HB ASP 17 10.442 -0.075 -2.121 116 H ARG 18 H ARG 18 8.541 2.716 -4.414 117 HA ARG 18 HA ARG 18 6.592 0.924 -3.458 118 1HB ARG 18 1HB ARG 18 6.152 3.318 -5.306 119 2HB ARG 18 2HB ARG 18 4.982 2.606 -4.213 120 1HG ARG 18 1HG ARG 18 7.585 3.943 -3.332 121 2HG ARG 18 2HG ARG 18 6.014 4.719 -3.314 122 1HD ARG 18 1HD ARG 18 5.239 2.708 -1.834 123 2HD ARG 18 2HD ARG 18 6.944 2.351 -1.641 124 HE ARG 18 HE ARG 18 7.061 4.110 -0.123 125 1HH1 ARG 18 1HH1 ARG 18 4.407 4.742 -2.346 126 2HH1 ARG 18 2HH1 ARG 18 3.920 6.202 -1.551 127 1HH2 ARG 18 1HH2 ARG 18 6.419 6.036 0.926 128 2HH2 ARG 18 2HH2 ARG 18 5.072 6.943 0.322 129 H VAL 19 H VAL 19 5.773 -0.836 -4.549 130 HA VAL 19 HA VAL 19 6.480 -1.250 -7.282 131 HB VAL 19 HB VAL 19 4.753 -2.768 -5.321 132 1HG1 VAL 19 1HG1 VAL 19 5.599 -3.466 -8.146 133 2HG1 VAL 19 2HG1 VAL 19 5.052 -4.678 -6.963 134 3HG1 VAL 19 3HG1 VAL 19 3.951 -3.378 -7.480 135 1HG2 VAL 19 1HG2 VAL 19 7.349 -2.477 -5.053 136 2HG2 VAL 19 2HG2 VAL 19 6.599 -4.076 -4.832 137 3HG2 VAL 19 3HG2 VAL 19 7.421 -3.682 -6.361 138 H ASP 20 H ASP 20 4.079 0.579 -5.718 139 HA ASP 20 HA ASP 20 2.237 1.527 -6.357 140 1HB ASP 20 1HB ASP 20 3.700 2.240 -8.280 141 2HB ASP 20 2HB ASP 20 3.159 0.842 -9.188 142 H CYS 21 H CYS 21 0.446 0.270 -5.749 143 HA CYS 21 HA CYS 21 -0.031 -2.277 -6.846 144 1HB CYS 21 1HB CYS 21 -0.879 -0.876 -4.625 145 2HB CYS 21 2HB CYS 21 -2.331 -0.951 -5.604 146 H GLY 22 H GLY 22 -0.607 0.979 -7.895 147 1HA GLY 22 1HA GLY 22 -1.709 0.221 -10.356 148 2HA GLY 22 2HA GLY 22 -1.655 1.839 -9.686 149 H TYR 23 H TYR 23 -3.351 2.365 -7.938 150 HA TYR 23 HA TYR 23 -5.893 1.236 -8.839 151 1HB TYR 23 1HB TYR 23 -4.604 0.462 -6.493 152 2HB TYR 23 2HB TYR 23 -5.477 1.866 -5.912 153 HD1 TYR 23 HD1 TYR 23 -6.434 -0.818 -8.358 154 HD2 TYR 23 HD2 TYR 23 -7.284 1.135 -4.648 155 HE1 TYR 23 HE1 TYR 23 -8.533 -2.227 -8.089 156 HE2 TYR 23 HE2 TYR 23 -9.381 -0.281 -4.392 157 HH TYR 23 HH TYR 23 -10.568 -2.229 -6.985 158 HA PRO 24 HA PRO 24 -6.986 5.425 -8.679 159 1HB PRO 24 1HB PRO 24 -9.700 5.218 -8.922 160 2HB PRO 24 2HB PRO 24 -8.606 5.131 -10.288 161 1HG PRO 24 1HG PRO 24 -10.076 2.944 -8.948 162 2HG PRO 24 2HG PRO 24 -9.334 2.956 -10.536 163 1HD PRO 24 1HD PRO 24 -8.301 1.708 -8.169 164 2HD PRO 24 2HD PRO 24 -7.506 1.820 -9.727 165 H HIS 25 H HIS 25 -9.765 4.010 -7.063 166 HA HIS 25 HA HIS 25 -9.680 6.000 -5.083 167 1HB HIS 25 1HB HIS 25 -11.707 5.217 -4.533 168 2HB HIS 25 2HB HIS 25 -11.567 4.301 -6.020 169 HD1 HIS 25 HD1 HIS 25 -12.421 3.831 -2.593 170 HD2 HIS 25 HD2 HIS 25 -10.219 1.603 -5.382 171 HE1 HIS 25 HE1 HIS 25 -12.352 1.441 -1.703 172 HE2 HIS 25 HE2 HIS 25 -11.033 0.108 -3.486 173 H VAL 26 H VAL 26 -7.792 6.117 -3.890 174 HA VAL 26 HA VAL 26 -7.172 3.700 -2.339 175 HB VAL 26 HB VAL 26 -4.790 4.488 -2.424 176 1HG1 VAL 26 1HG1 VAL 26 -6.300 3.433 -4.797 177 2HG1 VAL 26 2HG1 VAL 26 -4.558 3.767 -4.945 178 3HG1 VAL 26 3HG1 VAL 26 -5.142 2.610 -3.724 179 1HG2 VAL 26 1HG2 VAL 26 -5.921 6.320 -4.560 180 2HG2 VAL 26 2HG2 VAL 26 -5.034 6.777 -3.086 181 3HG2 VAL 26 3HG2 VAL 26 -4.191 5.929 -4.404 182 H THR 27 H THR 27 -7.177 3.996 -0.157 183 HA THR 27 HA THR 27 -6.887 6.742 0.833 184 HB THR 27 HB THR 27 -8.925 6.610 2.061 185 HG1 THR 27 HG1 THR 27 -8.584 3.772 1.412 186 1HG2 THR 27 1HG2 THR 27 -9.378 6.616 -0.471 187 2HG2 THR 27 2HG2 THR 27 -9.573 4.850 -0.356 188 3HG2 THR 27 3HG2 THR 27 -10.686 5.927 0.521 189 HA PRO 28 HA PRO 28 -4.535 4.968 3.955 190 1HB PRO 28 1HB PRO 28 -5.187 6.353 6.218 191 2HB PRO 28 2HB PRO 28 -4.126 6.990 4.978 192 1HG PRO 28 1HG PRO 28 -6.938 7.697 5.552 193 2HG PRO 28 2HG PRO 28 -5.748 8.592 4.628 194 1HD PRO 28 1HD PRO 28 -7.914 7.030 3.581 195 2HD PRO 28 2HD PRO 28 -6.656 7.829 2.659 196 H LYS 29 H LYS 29 -6.808 3.433 3.322 197 HA LYS 29 HA LYS 29 -6.730 1.650 5.443 198 1HB LYS 29 1HB LYS 29 -8.103 3.672 6.412 199 2HB LYS 29 2HB LYS 29 -9.412 3.006 5.456 200 1HG LYS 29 1HG LYS 29 -8.005 0.884 6.912 201 2HG LYS 29 2HG LYS 29 -8.554 2.132 8.012 202 1HD LYS 29 1HD LYS 29 -10.492 1.194 5.905 203 2HD LYS 29 2HD LYS 29 -10.153 0.099 7.230 204 1HE LYS 29 1HE LYS 29 -12.038 1.405 7.944 205 2HE LYS 29 2HE LYS 29 -10.667 2.037 8.834 206 1HZ LYS 29 1HZ LYS 29 -11.739 3.192 6.353 207 2HZ LYS 29 2HZ LYS 29 -11.984 3.782 7.855 208 3HZ LYS 29 3HZ LYS 29 -10.484 3.789 7.210 209 H GLU 30 H GLU 30 -8.951 3.075 2.955 210 HA GLU 30 HA GLU 30 -10.059 0.618 2.268 211 1HB GLU 30 1HB GLU 30 -10.644 3.209 1.695 212 2HB GLU 30 2HB GLU 30 -9.869 2.766 0.187 213 1HG GLU 30 1HG GLU 30 -12.299 2.341 0.056 214 2HG GLU 30 2HG GLU 30 -11.412 0.834 -0.068 215 H CYS 31 H CYS 31 -7.255 2.493 0.994 216 HA CYS 31 HA CYS 31 -6.774 0.832 -1.198 217 1HB CYS 31 1HB CYS 31 -5.697 2.820 -1.419 218 2HB CYS 31 2HB CYS 31 -5.285 2.931 0.281 219 H ASN 32 H ASN 32 -5.963 0.704 2.276 220 HA ASN 32 HA ASN 32 -4.163 -1.490 1.842 221 1HB ASN 32 1HB ASN 32 -3.350 -0.929 3.915 222 2HB ASN 32 2HB ASN 32 -4.348 0.506 3.782 223 2HD2 ASN 32 2HD2 ASN 32 -3.884 -2.554 5.274 224 1HD2 ASN 32 1HD2 ASN 32 -5.203 -2.515 6.396 225 H ASN 33 H ASN 33 -7.442 -1.146 1.757 226 HA ASN 33 HA ASN 33 -7.993 -3.470 3.404 227 1HB ASN 33 1HB ASN 33 -9.420 -1.376 3.638 228 2HB ASN 33 2HB ASN 33 -9.935 -1.578 1.976 229 2HD2 ASN 33 2HD2 ASN 33 -10.637 -2.215 5.146 230 1HD2 ASN 33 1HD2 ASN 33 -11.779 -3.506 4.977 231 H ARG 34 H ARG 34 -8.068 -2.112 0.083 232 HA ARG 34 HA ARG 34 -9.542 -4.138 -1.089 233 1HB ARG 34 1HB ARG 34 -8.659 -1.767 -1.972 234 2HB ARG 34 2HB ARG 34 -7.328 -2.721 -2.597 235 1HG ARG 34 1HG ARG 34 -10.190 -3.587 -3.120 236 2HG ARG 34 2HG ARG 34 -9.463 -2.330 -4.102 237 1HD ARG 34 1HD ARG 34 -7.455 -4.072 -4.331 238 2HD ARG 34 2HD ARG 34 -8.674 -5.245 -3.872 239 HE ARG 34 HE ARG 34 -8.502 -3.824 -6.414 240 1HH1 ARG 34 1HH1 ARG 34 -10.715 -5.410 -4.184 241 2HH1 ARG 34 2HH1 ARG 34 -11.892 -5.765 -5.404 242 1HH2 ARG 34 1HH2 ARG 34 -10.054 -4.292 -8.024 243 2HH2 ARG 34 2HH2 ARG 34 -11.513 -5.125 -7.603 244 H GLY 35 H GLY 35 -6.185 -3.914 -0.024 245 1HA GLY 35 1HA GLY 35 -5.604 -6.508 -1.327 246 2HA GLY 35 2HA GLY 35 -5.184 -6.146 0.335 247 H CYS 36 H CYS 36 -3.784 -4.087 0.672 248 HA CYS 36 HA CYS 36 -1.401 -4.399 -0.605 249 1HB CYS 36 1HB CYS 36 -3.154 -3.167 -2.392 250 2HB CYS 36 2HB CYS 36 -2.195 -1.847 -1.753 251 H CYS 37 H CYS 37 -0.646 -1.520 -0.663 252 HA CYS 37 HA CYS 37 -1.234 -0.826 2.122 253 1HB CYS 37 1HB CYS 37 1.397 -1.035 0.720 254 2HB CYS 37 2HB CYS 37 1.188 0.225 1.921 255 H PHE 38 H PHE 38 -1.204 1.533 2.531 256 HA PHE 38 HA PHE 38 -1.570 3.056 0.046 257 1HB PHE 38 1HB PHE 38 -3.667 2.742 1.334 258 2HB PHE 38 2HB PHE 38 -2.860 3.157 2.833 259 HD1 PHE 38 HD1 PHE 38 -4.311 4.475 -0.256 260 HD2 PHE 38 HD2 PHE 38 -2.399 5.473 3.398 261 HE1 PHE 38 HE1 PHE 38 -4.996 6.871 -0.552 262 HE2 PHE 38 HE2 PHE 38 -3.084 7.869 3.103 263 HZ PHE 38 HZ PHE 38 -4.375 8.540 1.131 264 H ASP 39 H ASP 39 -1.423 5.583 0.649 265 HA ASP 39 HA ASP 39 0.242 6.320 2.727 266 1HB ASP 39 1HB ASP 39 2.103 5.251 1.691 267 2HB ASP 39 2HB ASP 39 1.582 5.701 0.079 268 H SER 40 H SER 40 0.437 8.672 2.733 269 HA SER 40 HA SER 40 -0.575 9.977 0.342 270 1HB SER 40 1HB SER 40 -2.024 11.437 1.692 271 2HB SER 40 2HB SER 40 -2.469 9.758 1.922 272 HG SER 40 HG SER 40 -2.242 11.197 3.902 273 H ARG 41 H ARG 41 2.050 9.515 2.076 274 HA ARG 41 HA ARG 41 2.742 11.943 3.166 275 1HB ARG 41 1HB ARG 41 3.913 9.506 3.092 276 2HB ARG 41 2HB ARG 41 4.854 10.256 1.818 277 1HG ARG 41 1HG ARG 41 4.562 11.995 4.194 278 2HG ARG 41 2HG ARG 41 5.350 10.473 4.563 279 1HD ARG 41 1HD ARG 41 7.099 10.861 2.947 280 2HD ARG 41 2HD ARG 41 6.209 12.158 2.175 281 HE ARG 41 HE ARG 41 6.663 12.779 4.962 282 1HH1 ARG 41 1HH1 ARG 41 8.294 12.652 1.846 283 2HH1 ARG 41 2HH1 ARG 41 9.471 13.851 2.270 284 1HH2 ARG 41 1HH2 ARG 41 8.215 14.361 5.521 285 2HH2 ARG 41 2HH2 ARG 41 9.425 14.829 4.374 286 H ILE 42 H ILE 42 3.328 10.558 -0.138 287 HA ILE 42 HA ILE 42 3.521 13.273 -1.153 288 HB ILE 42 HB ILE 42 5.529 12.061 -2.553 289 1HG1 ILE 42 1HG1 ILE 42 7.083 11.127 -0.860 290 2HG1 ILE 42 2HG1 ILE 42 5.805 11.186 0.338 291 1HG2 ILE 42 1HG2 ILE 42 5.297 14.104 -0.434 292 2HG2 ILE 42 2HG2 ILE 42 6.928 13.431 -0.673 293 3HG2 ILE 42 3HG2 ILE 42 6.066 14.182 -2.037 294 1HD1 ILE 42 1HD1 ILE 42 4.985 9.852 -2.178 295 2HD1 ILE 42 2HD1 ILE 42 6.318 9.034 -1.328 296 3HD1 ILE 42 3HD1 ILE 42 4.774 9.326 -0.491 297 HA PRO 43 HA PRO 43 1.083 11.314 -4.151 298 1HB PRO 43 1HB PRO 43 0.799 13.403 -5.889 299 2HB PRO 43 2HB PRO 43 -0.185 13.213 -4.452 300 1HG PRO 43 1HG PRO 43 2.051 15.086 -4.933 301 2HG PRO 43 2HG PRO 43 0.803 15.159 -3.705 302 1HD PRO 43 1HD PRO 43 3.528 14.342 -3.337 303 2HD PRO 43 2HD PRO 43 2.252 14.305 -2.137 304 H GLY 44 H GLY 44 3.987 13.006 -5.093 305 1HA GLY 44 1HA GLY 44 5.652 12.257 -6.442 306 2HA GLY 44 2HA GLY 44 4.379 12.309 -7.646 307 H VAL 45 H VAL 45 4.771 10.096 -4.800 308 HA VAL 45 HA VAL 45 5.373 7.907 -6.607 309 HB VAL 45 HB VAL 45 6.179 6.805 -4.780 310 1HG1 VAL 45 1HG1 VAL 45 6.998 9.378 -5.048 311 2HG1 VAL 45 2HG1 VAL 45 6.490 9.380 -3.342 312 3HG1 VAL 45 3HG1 VAL 45 7.717 8.219 -3.904 313 1HG2 VAL 45 1HG2 VAL 45 4.167 8.339 -3.114 314 2HG2 VAL 45 2HG2 VAL 45 4.214 6.593 -3.455 315 3HG2 VAL 45 3HG2 VAL 45 5.449 7.328 -2.405 316 HA PRO 46 HA PRO 46 1.428 6.143 -6.440 317 1HB PRO 46 1HB PRO 46 1.847 3.463 -6.105 318 2HB PRO 46 2HB PRO 46 2.056 4.281 -7.640 319 1HG PRO 46 1HG PRO 46 4.122 3.303 -5.765 320 2HG PRO 46 2HG PRO 46 4.287 3.725 -7.458 321 1HD PRO 46 1HD PRO 46 5.114 5.300 -5.208 322 2HD PRO 46 2HD PRO 46 5.173 5.771 -6.895 323 H TRP 47 H TRP 47 0.544 7.256 -4.675 324 HA TRP 47 HA TRP 47 0.838 6.917 -2.106 325 1HB TRP 47 1HB TRP 47 -1.612 7.218 -3.764 326 2HB TRP 47 2HB TRP 47 -1.836 6.842 -2.067 327 HD1 TRP 47 HD1 TRP 47 1.117 9.102 -3.024 328 HE1 TRP 47 HE1 TRP 47 0.756 11.575 -2.178 329 HE3 TRP 47 HE3 TRP 47 -3.709 8.453 -1.560 330 HZ2 TRP 47 HZ2 TRP 47 -1.459 12.951 -1.017 331 HZ3 TRP 47 HZ3 TRP 47 -4.899 10.412 -0.580 332 HH2 TRP 47 HH2 TRP 47 -3.851 12.602 -0.299 333 H CYS 48 H CYS 48 -1.177 4.637 -4.107 334 HA CYS 48 HA CYS 48 -1.109 2.748 -1.916 335 1HB CYS 48 1HB CYS 48 -3.155 3.345 -3.398 336 2HB CYS 48 2HB CYS 48 -2.422 2.279 -4.580 337 H PHE 49 H PHE 49 0.527 1.250 -1.805 338 HA PHE 49 HA PHE 49 1.594 0.231 -4.317 339 1HB PHE 49 1HB PHE 49 3.910 0.470 -3.135 340 2HB PHE 49 2HB PHE 49 3.192 1.960 -3.714 341 HD1 PHE 49 HD1 PHE 49 3.405 -0.145 -0.645 342 HD2 PHE 49 HD2 PHE 49 2.965 3.754 -2.261 343 HE1 PHE 49 HE1 PHE 49 3.565 0.830 1.663 344 HE2 PHE 49 HE2 PHE 49 3.125 4.729 0.047 345 HZ PHE 49 HZ PHE 49 3.423 3.255 1.981 346 H LYS 50 H LYS 50 3.049 -1.743 -3.888 347 HA LYS 50 HA LYS 50 1.618 -3.489 -2.166 348 1HB LYS 50 1HB LYS 50 4.236 -4.039 -3.580 349 2HB LYS 50 2HB LYS 50 3.037 -5.201 -3.048 350 1HG LYS 50 1HG LYS 50 1.369 -4.079 -4.629 351 2HG LYS 50 2HG LYS 50 2.692 -3.110 -5.245 352 1HD LYS 50 1HD LYS 50 2.807 -4.860 -6.760 353 2HD LYS 50 2HD LYS 50 3.872 -5.507 -5.527 354 1HE LYS 50 1HE LYS 50 2.234 -7.005 -4.701 355 2HE LYS 50 2HE LYS 50 0.901 -6.065 -5.340 356 1HZ LYS 50 1HZ LYS 50 1.979 -6.654 -7.582 357 2HZ LYS 50 2HZ LYS 50 2.690 -7.869 -6.755 358 3HZ LYS 50 3HZ LYS 50 1.062 -7.769 -6.820 359 HA PRO 51 HA PRO 51 4.069 -3.311 1.382 360 1HB PRO 51 1HB PRO 51 4.206 -5.899 2.251 361 2HB PRO 51 2HB PRO 51 2.799 -4.882 2.487 362 1HG PRO 51 1HG PRO 51 3.183 -7.096 0.567 363 2HG PRO 51 2HG PRO 51 1.688 -6.363 1.111 364 1HD PRO 51 1HD PRO 51 2.993 -5.933 -1.407 365 2HD PRO 51 2HD PRO 51 1.561 -5.114 -0.815 366 H LEU 52 H LEU 52 6.123 -2.776 1.753 367 HA LEU 52 HA LEU 52 8.127 -3.247 0.088 368 1HB LEU 52 1HB LEU 52 8.342 -1.796 1.969 369 2HB LEU 52 2HB LEU 52 8.197 -3.127 3.100 370 HG LEU 52 HG LEU 52 10.503 -2.724 1.174 371 1HD1 LEU 52 1HD1 LEU 52 10.330 -1.000 2.977 372 2HD1 LEU 52 2HD1 LEU 52 10.480 -2.310 4.173 373 3HD1 LEU 52 3HD1 LEU 52 11.811 -1.987 3.037 374 1HD2 LEU 52 1HD2 LEU 52 9.720 -4.942 2.961 375 2HD2 LEU 52 2HD2 LEU 52 10.745 -4.935 1.506 376 3HD2 LEU 52 3HD2 LEU 52 11.421 -4.429 3.073 377 H GLN 53 H GLN 53 9.273 -4.929 -0.723 378 HA GLN 53 HA GLN 53 8.543 -7.524 0.044 379 1HB GLN 53 1HB GLN 53 10.703 -7.997 -1.481 380 2HB GLN 53 2HB GLN 53 9.171 -7.503 -2.173 381 1HG GLN 53 1HG GLN 53 11.236 -6.199 -2.971 382 2HG GLN 53 2HG GLN 53 9.879 -5.230 -2.430 383 2HE2 GLN 53 2HE2 GLN 53 10.424 -3.578 -1.249 384 1HE2 GLN 53 1HE2 GLN 53 11.730 -3.471 -0.117 385 H GLU 54 H GLU 54 9.164 -6.751 2.458 386 HA GLU 54 HA GLU 54 11.615 -6.463 3.392 387 1HB GLU 54 1HB GLU 54 10.806 -7.188 5.466 388 2HB GLU 54 2HB GLU 54 9.320 -6.818 4.613 389 1HG GLU 54 1HG GLU 54 9.302 -9.311 3.882 390 2HG GLU 54 2HG GLU 54 10.559 -9.561 5.077 391 H ALA 55 H ALA 55 13.545 -7.480 3.088 392 HA ALA 55 HA ALA 55 13.686 -10.336 3.272 393 1HB ALA 55 1HB ALA 55 13.906 -10.885 1.092 394 2HB ALA 55 2HB ALA 55 14.949 -9.482 0.760 395 3HB ALA 55 3HB ALA 55 13.179 -9.299 0.741 396 H GLU 56 H GLU 56 15.273 -7.224 2.337 397 HA GLU 56 HA GLU 56 17.279 -6.451 2.694 398 1HB GLU 56 1HB GLU 56 16.524 -7.727 5.309 399 2HB GLU 56 2HB GLU 56 18.165 -7.133 5.149 400 1HG GLU 56 1HG GLU 56 17.017 -4.942 4.211 401 2HG GLU 56 2HG GLU 56 15.569 -5.573 4.971 402 H CYS 57 H CYS 57 18.126 -7.871 0.932 403 HA CYS 57 HA CYS 57 20.476 -9.125 1.715 404 1HB CYS 57 1HB CYS 57 18.734 -10.850 2.469 405 2HB CYS 57 2HB CYS 57 18.459 -11.155 0.765 406 H THR 58 H THR 58 20.489 -7.241 0.000 407 HA THR 58 HA THR 58 20.223 -8.456 -2.673 408 HB THR 58 HB THR 58 19.718 -6.112 -3.437 409 HG1 THR 58 HG1 THR 58 20.339 -4.634 -1.911 410 1HG2 THR 58 1HG2 THR 58 17.878 -7.744 -2.375 411 2HG2 THR 58 2HG2 THR 58 17.901 -6.551 -1.054 412 3HG2 THR 58 3HG2 THR 58 17.478 -6.041 -2.706 413 H PHE 59 H PHE 59 21.948 -5.810 -0.879 414 HA PHE 59 HA PHE 59 24.054 -5.706 -2.709 415 1HB PHE 59 1HB PHE 59 23.673 -3.877 -1.163 416 2HB PHE 59 2HB PHE 59 23.548 -4.959 0.210 417 HD1 PHE 59 HD1 PHE 59 26.042 -3.862 -2.342 418 HD2 PHE 59 HD2 PHE 59 25.349 -5.129 1.648 419 HE1 PHE 59 HE1 PHE 59 28.453 -3.439 -1.789 420 HE2 PHE 59 HE2 PHE 59 27.760 -4.706 2.201 421 HZ PHE 59 HZ PHE 59 29.284 -3.866 0.476 No H/Q in entry = 421 Start of MODEL 75 1 H GLU 1 H GLU 1 4.190 -12.730 17.962 2 HA GLU 1 HA GLU 1 6.396 -14.100 18.383 3 1HB GLU 1 1HB GLU 1 4.477 -15.885 17.063 4 2HB GLU 1 2HB GLU 1 5.942 -15.715 16.117 5 1HG GLU 1 1HG GLU 1 7.179 -16.910 17.616 6 2HG GLU 1 2HG GLU 1 6.542 -16.016 18.982 7 H GLU 2 H GLU 2 7.736 -14.418 16.053 8 HA GLU 2 HA GLU 2 8.112 -11.932 15.122 9 1HB GLU 2 1HB GLU 2 8.556 -14.640 13.829 10 2HB GLU 2 2HB GLU 2 9.016 -13.169 12.995 11 1HG GLU 2 1HG GLU 2 10.569 -12.541 14.731 12 2HG GLU 2 2HG GLU 2 9.913 -13.718 15.852 13 H TYR 3 H TYR 3 6.517 -10.569 14.389 14 HA TYR 3 HA TYR 3 5.397 -10.975 11.859 15 1HB TYR 3 1HB TYR 3 4.108 -12.613 13.477 16 2HB TYR 3 2HB TYR 3 3.474 -11.175 14.252 17 HD1 TYR 3 HD1 TYR 3 3.832 -12.534 10.763 18 HD2 TYR 3 HD2 TYR 3 1.361 -10.493 13.598 19 HE1 TYR 3 HE1 TYR 3 1.944 -12.442 9.063 20 HE2 TYR 3 HE2 TYR 3 -0.518 -10.408 11.888 21 HH TYR 3 HH TYR 3 -0.495 -10.434 9.187 22 H VAL 4 H VAL 4 3.353 -9.323 11.652 23 HA VAL 4 HA VAL 4 3.676 -7.062 13.421 24 HB VAL 4 HB VAL 4 5.447 -7.045 11.511 25 1HG1 VAL 4 1HG1 VAL 4 3.213 -7.305 9.918 26 2HG1 VAL 4 2HG1 VAL 4 3.542 -5.558 9.838 27 3HG1 VAL 4 3HG1 VAL 4 4.807 -6.723 9.380 28 1HG2 VAL 4 1HG2 VAL 4 4.170 -5.074 13.030 29 2HG2 VAL 4 2HG2 VAL 4 5.704 -4.916 12.141 30 3HG2 VAL 4 3HG2 VAL 4 4.174 -4.432 11.369 31 H GLY 5 H GLY 5 2.388 -5.264 11.430 32 1HA GLY 5 1HA GLY 5 -0.263 -6.578 11.314 33 2HA GLY 5 2HA GLY 5 0.336 -5.472 10.094 34 H LEU 6 H LEU 6 1.587 -4.364 13.012 35 HA LEU 6 HA LEU 6 -0.796 -2.747 13.569 36 1HB LEU 6 1HB LEU 6 0.707 -2.271 15.693 37 2HB LEU 6 2HB LEU 6 -0.381 -3.641 15.583 38 HG LEU 6 HG LEU 6 2.513 -3.911 14.784 39 1HD1 LEU 6 1HD1 LEU 6 1.649 -3.164 17.371 40 2HD1 LEU 6 2HD1 LEU 6 2.082 -4.889 17.447 41 3HD1 LEU 6 3HD1 LEU 6 3.267 -3.700 16.857 42 1HD2 LEU 6 1HD2 LEU 6 0.278 -5.644 14.806 43 2HD2 LEU 6 2HD2 LEU 6 1.977 -6.034 14.441 44 3HD2 LEU 6 3HD2 LEU 6 1.366 -6.185 16.106 45 H SER 7 H SER 7 2.544 -2.754 12.439 46 HA SER 7 HA SER 7 2.483 0.157 12.483 47 1HB SER 7 1HB SER 7 4.830 0.160 12.568 48 2HB SER 7 2HB SER 7 4.421 -1.230 13.555 49 HG SER 7 HG SER 7 4.656 -2.493 11.444 50 H ALA 8 H ALA 8 4.214 0.839 10.459 51 HA ALA 8 HA ALA 8 2.773 -0.141 8.113 52 1HB ALA 8 1HB ALA 8 4.686 2.168 8.035 53 2HB ALA 8 2HB ALA 8 3.134 1.944 7.193 54 3HB ALA 8 3HB ALA 8 3.155 2.381 8.918 55 H ASN 9 H ASN 9 4.979 -1.604 9.639 56 HA ASN 9 HA ASN 9 7.391 -1.474 8.522 57 1HB ASN 9 1HB ASN 9 6.455 -3.160 10.262 58 2HB ASN 9 2HB ASN 9 5.931 -4.134 8.903 59 2HD2 ASN 9 2HD2 ASN 9 7.297 -5.797 9.603 60 1HD2 ASN 9 1HD2 ASN 9 9.005 -5.781 9.314 61 H GLN 10 H GLN 10 4.464 -3.200 7.236 62 HA GLN 10 HA GLN 10 5.788 -4.164 4.959 63 1HB GLN 10 1HB GLN 10 3.386 -4.577 4.156 64 2HB GLN 10 2HB GLN 10 3.843 -5.349 5.662 65 1HG GLN 10 1HG GLN 10 2.851 -2.703 6.277 66 2HG GLN 10 2HG GLN 10 1.705 -3.475 5.199 67 2HE2 GLN 10 2HE2 GLN 10 2.910 -3.243 8.346 68 1HE2 GLN 10 1HE2 GLN 10 2.048 -4.546 9.093 69 H CYS 11 H CYS 11 4.136 -1.141 5.800 70 HA CYS 11 HA CYS 11 4.440 -0.284 3.015 71 1HB CYS 11 1HB CYS 11 2.781 1.288 4.920 72 2HB CYS 11 2HB CYS 11 2.603 1.058 3.192 73 H ALA 12 H ALA 12 6.753 -0.436 4.572 74 HA ALA 12 HA ALA 12 7.148 2.320 5.507 75 1HB ALA 12 1HB ALA 12 9.251 0.373 6.130 76 2HB ALA 12 2HB ALA 12 7.658 -0.124 6.750 77 3HB ALA 12 3HB ALA 12 8.342 1.452 7.214 78 H VAL 13 H VAL 13 7.011 1.834 2.715 79 HA VAL 13 HA VAL 13 9.708 1.472 1.773 80 HB VAL 13 HB VAL 13 7.591 2.520 -0.008 81 1HG1 VAL 13 1HG1 VAL 13 9.914 0.694 -0.098 82 2HG1 VAL 13 2HG1 VAL 13 8.526 0.196 -1.095 83 3HG1 VAL 13 3HG1 VAL 13 9.267 1.796 -1.337 84 1HG2 VAL 13 1HG2 VAL 13 7.250 0.032 1.628 85 2HG2 VAL 13 2HG2 VAL 13 6.036 1.202 1.057 86 3HG2 VAL 13 3HG2 VAL 13 6.729 0.015 -0.074 87 HA PRO 14 HA PRO 14 10.745 5.669 1.862 88 1HB PRO 14 1HB PRO 14 12.814 5.715 0.077 89 2HB PRO 14 2HB PRO 14 12.993 5.186 1.738 90 1HG PRO 14 1HG PRO 14 12.892 3.556 -0.726 91 2HG PRO 14 2HG PRO 14 13.485 3.110 0.861 92 1HD PRO 14 1HD PRO 14 10.981 2.349 -0.313 93 2HD PRO 14 2HD PRO 14 11.523 2.000 1.316 94 H ALA 15 H ALA 15 9.112 4.287 -0.580 95 HA ALA 15 HA ALA 15 7.655 5.337 -1.951 96 1HB ALA 15 1HB ALA 15 9.226 7.903 -1.971 97 2HB ALA 15 2HB ALA 15 7.468 7.647 -2.079 98 3HB ALA 15 3HB ALA 15 8.299 7.471 -0.514 99 H LYS 16 H LYS 16 11.097 5.118 -2.138 100 HA LYS 16 HA LYS 16 11.066 5.509 -5.030 101 1HB LYS 16 1HB LYS 16 13.518 5.438 -4.835 102 2HB LYS 16 2HB LYS 16 12.807 6.688 -3.834 103 1HG LYS 16 1HG LYS 16 14.514 5.518 -2.532 104 2HG LYS 16 2HG LYS 16 12.942 5.159 -1.847 105 1HD LYS 16 1HD LYS 16 12.940 2.944 -2.634 106 2HD LYS 16 2HD LYS 16 14.018 3.302 -3.969 107 1HE LYS 16 1HE LYS 16 15.600 3.908 -1.748 108 2HE LYS 16 2HE LYS 16 14.667 2.538 -1.179 109 1HZ LYS 16 1HZ LYS 16 15.991 2.490 -3.789 110 2HZ LYS 16 2HZ LYS 16 16.780 2.064 -2.425 111 3HZ LYS 16 3HZ LYS 16 15.461 1.227 -2.900 112 H ASP 17 H ASP 17 10.077 3.148 -3.065 113 HA ASP 17 HA ASP 17 11.138 1.123 -4.860 114 1HB ASP 17 1HB ASP 17 12.362 0.724 -2.840 115 2HB ASP 17 2HB ASP 17 10.973 1.069 -1.829 116 H ARG 18 H ARG 18 8.570 2.808 -4.512 117 HA ARG 18 HA ARG 18 6.638 1.031 -3.493 118 1HB ARG 18 1HB ARG 18 6.184 3.412 -5.356 119 2HB ARG 18 2HB ARG 18 5.012 2.702 -4.263 120 1HG ARG 18 1HG ARG 18 7.611 4.057 -3.396 121 2HG ARG 18 2HG ARG 18 6.029 4.809 -3.354 122 1HD ARG 18 1HD ARG 18 5.317 2.750 -1.885 123 2HD ARG 18 2HD ARG 18 7.036 2.469 -1.692 124 HE ARG 18 HE ARG 18 7.068 4.226 -0.168 125 1HH1 ARG 18 1HH1 ARG 18 4.415 4.762 -2.416 126 2HH1 ARG 18 2HH1 ARG 18 3.870 6.205 -1.628 127 1HH2 ARG 18 1HH2 ARG 18 6.349 6.130 0.872 128 2HH2 ARG 18 2HH2 ARG 18 4.977 6.989 0.255 129 H VAL 19 H VAL 19 5.906 -0.789 -4.542 130 HA VAL 19 HA VAL 19 6.531 -1.229 -7.275 131 HB VAL 19 HB VAL 19 4.600 -2.780 -5.553 132 1HG1 VAL 19 1HG1 VAL 19 6.340 -3.447 -7.938 133 2HG1 VAL 19 2HG1 VAL 19 5.633 -4.697 -6.886 134 3HG1 VAL 19 3HG1 VAL 19 4.572 -3.582 -7.781 135 1HG2 VAL 19 1HG2 VAL 19 7.360 -2.236 -4.999 136 2HG2 VAL 19 2HG2 VAL 19 6.226 -3.285 -4.115 137 3HG2 VAL 19 3HG2 VAL 19 7.195 -3.949 -5.452 138 H ASP 20 H ASP 20 4.117 0.593 -5.691 139 HA ASP 20 HA ASP 20 2.274 1.537 -6.330 140 1HB ASP 20 1HB ASP 20 3.725 2.247 -8.265 141 2HB ASP 20 2HB ASP 20 3.182 0.844 -9.164 142 H CYS 21 H CYS 21 0.407 0.377 -5.804 143 HA CYS 21 HA CYS 21 -0.039 -2.211 -6.884 144 1HB CYS 21 1HB CYS 21 -0.862 -0.826 -4.631 145 2HB CYS 21 2HB CYS 21 -2.328 -0.940 -5.585 146 H GLY 22 H GLY 22 -0.456 0.977 -8.023 147 1HA GLY 22 1HA GLY 22 -1.642 0.300 -10.418 148 2HA GLY 22 2HA GLY 22 -1.613 1.904 -9.713 149 H TYR 23 H TYR 23 -3.311 2.346 -7.932 150 HA TYR 23 HA TYR 23 -5.836 1.192 -8.855 151 1HB TYR 23 1HB TYR 23 -4.557 0.371 -6.546 152 2HB TYR 23 2HB TYR 23 -5.361 1.796 -5.920 153 HD1 TYR 23 HD1 TYR 23 -6.549 -0.725 -8.428 154 HD2 TYR 23 HD2 TYR 23 -7.093 1.021 -4.560 155 HE1 TYR 23 HE1 TYR 23 -8.688 -2.062 -8.118 156 HE2 TYR 23 HE2 TYR 23 -9.231 -0.322 -4.263 157 HH TYR 23 HH TYR 23 -10.228 -2.686 -6.700 158 HA PRO 24 HA PRO 24 -7.026 5.351 -8.642 159 1HB PRO 24 1HB PRO 24 -9.740 5.088 -8.828 160 2HB PRO 24 2HB PRO 24 -8.674 5.028 -10.217 161 1HG PRO 24 1HG PRO 24 -10.069 2.807 -8.855 162 2HG PRO 24 2HG PRO 24 -9.361 2.840 -10.458 163 1HD PRO 24 1HD PRO 24 -8.253 1.605 -8.118 164 2HD PRO 24 2HD PRO 24 -7.494 1.739 -9.692 165 H HIS 25 H HIS 25 -9.796 3.963 -7.012 166 HA HIS 25 HA HIS 25 -9.683 5.917 -5.016 167 1HB HIS 25 1HB HIS 25 -11.688 5.103 -4.422 168 2HB HIS 25 2HB HIS 25 -11.568 4.207 -5.923 169 HD1 HIS 25 HD1 HIS 25 -12.325 3.690 -2.474 170 HD2 HIS 25 HD2 HIS 25 -10.198 1.511 -5.359 171 HE1 HIS 25 HE1 HIS 25 -12.216 1.288 -1.619 172 HE2 HIS 25 HE2 HIS 25 -10.946 -0.014 -3.459 173 H VAL 26 H VAL 26 -7.778 6.056 -3.852 174 HA VAL 26 HA VAL 26 -7.111 3.651 -2.305 175 HB VAL 26 HB VAL 26 -4.736 4.416 -2.451 176 1HG1 VAL 26 1HG1 VAL 26 -6.286 3.445 -4.842 177 2HG1 VAL 26 2HG1 VAL 26 -4.529 3.709 -4.958 178 3HG1 VAL 26 3HG1 VAL 26 -5.179 2.554 -3.770 179 1HG2 VAL 26 1HG2 VAL 26 -5.172 6.755 -3.102 180 2HG2 VAL 26 2HG2 VAL 26 -4.075 5.940 -4.243 181 3HG2 VAL 26 3HG2 VAL 26 -5.782 6.197 -4.678 182 H THR 27 H THR 27 -6.961 3.965 -0.118 183 HA THR 27 HA THR 27 -6.638 6.701 0.851 184 HB THR 27 HB THR 27 -8.685 6.680 2.069 185 HG1 THR 27 HG1 THR 27 -8.482 3.823 1.446 186 1HG2 THR 27 1HG2 THR 27 -9.253 5.028 -0.449 187 2HG2 THR 27 2HG2 THR 27 -10.488 5.854 0.532 188 3HG2 THR 27 3HG2 THR 27 -9.270 6.806 -0.351 189 HA PRO 28 HA PRO 28 -4.394 4.830 3.997 190 1HB PRO 28 1HB PRO 28 -5.004 6.240 6.257 191 2HB PRO 28 2HB PRO 28 -3.907 6.831 5.026 192 1HG PRO 28 1HG PRO 28 -6.690 7.658 5.579 193 2HG PRO 28 2HG PRO 28 -5.456 8.502 4.665 194 1HD PRO 28 1HD PRO 28 -7.679 7.035 3.600 195 2HD PRO 28 2HD PRO 28 -6.381 7.780 2.688 196 H LYS 29 H LYS 29 -6.733 3.399 3.345 197 HA LYS 29 HA LYS 29 -6.746 1.609 5.462 198 1HB LYS 29 1HB LYS 29 -8.031 3.686 6.431 199 2HB LYS 29 2HB LYS 29 -9.363 3.085 5.464 200 1HG LYS 29 1HG LYS 29 -8.110 0.866 6.879 201 2HG LYS 29 2HG LYS 29 -8.501 2.140 8.017 202 1HD LYS 29 1HD LYS 29 -10.790 2.066 6.437 203 2HD LYS 29 2HD LYS 29 -10.315 0.380 6.458 204 1HE LYS 29 1HE LYS 29 -10.508 0.213 8.818 205 2HE LYS 29 2HE LYS 29 -10.350 1.941 9.056 206 1HZ LYS 29 1HZ LYS 29 -12.526 1.926 7.637 207 2HZ LYS 29 2HZ LYS 29 -12.675 0.422 8.255 208 3HZ LYS 29 3HZ LYS 29 -12.567 1.708 9.255 209 H GLU 30 H GLU 30 -8.885 3.137 2.964 210 HA GLU 30 HA GLU 30 -10.091 0.728 2.265 211 1HB GLU 30 1HB GLU 30 -10.532 3.368 1.687 212 2HB GLU 30 2HB GLU 30 -9.837 2.839 0.168 213 1HG GLU 30 1HG GLU 30 -12.195 2.478 -0.055 214 2HG GLU 30 2HG GLU 30 -11.506 0.888 0.200 215 H CYS 31 H CYS 31 -7.196 2.484 1.041 216 HA CYS 31 HA CYS 31 -6.783 0.803 -1.165 217 1HB CYS 31 1HB CYS 31 -5.674 2.783 -1.390 218 2HB CYS 31 2HB CYS 31 -5.211 2.861 0.298 219 H ASN 32 H ASN 32 -5.985 0.684 2.309 220 HA ASN 32 HA ASN 32 -4.218 -1.541 1.904 221 1HB ASN 32 1HB ASN 32 -3.423 -0.978 3.982 222 2HB ASN 32 2HB ASN 32 -4.412 0.461 3.842 223 2HD2 ASN 32 2HD2 ASN 32 -3.947 -2.571 5.366 224 1HD2 ASN 32 1HD2 ASN 32 -5.288 -2.540 6.462 225 H ASN 33 H ASN 33 -7.490 -1.153 1.770 226 HA ASN 33 HA ASN 33 -8.109 -3.445 3.432 227 1HB ASN 33 1HB ASN 33 -9.520 -1.326 3.562 228 2HB ASN 33 2HB ASN 33 -9.992 -1.580 1.894 229 2HD2 ASN 33 2HD2 ASN 33 -12.153 -1.714 2.542 230 1HD2 ASN 33 1HD2 ASN 33 -12.823 -3.139 3.263 231 H ARG 34 H ARG 34 -8.067 -2.165 0.079 232 HA ARG 34 HA ARG 34 -9.518 -4.210 -1.090 233 1HB ARG 34 1HB ARG 34 -8.688 -1.886 -2.033 234 2HB ARG 34 2HB ARG 34 -7.243 -2.762 -2.500 235 1HG ARG 34 1HG ARG 34 -10.074 -3.589 -3.299 236 2HG ARG 34 2HG ARG 34 -9.007 -2.640 -4.315 237 1HD ARG 34 1HD ARG 34 -7.345 -4.747 -3.686 238 2HD ARG 34 2HD ARG 34 -8.900 -5.553 -3.652 239 HE ARG 34 HE ARG 34 -9.071 -5.286 -5.975 240 1HH1 ARG 34 1HH1 ARG 34 -6.561 -3.150 -4.742 241 2HH1 ARG 34 2HH1 ARG 34 -6.005 -2.686 -6.315 242 1HH2 ARG 34 1HH2 ARG 34 -8.338 -4.673 -8.051 243 2HH2 ARG 34 2HH2 ARG 34 -7.023 -3.558 -8.210 244 H GLY 35 H GLY 35 -6.160 -3.941 0.005 245 1HA GLY 35 1HA GLY 35 -5.584 -6.599 -1.165 246 2HA GLY 35 2HA GLY 35 -5.161 -6.152 0.476 247 H CYS 36 H CYS 36 -3.760 -4.076 0.701 248 HA CYS 36 HA CYS 36 -1.389 -4.467 -0.612 249 1HB CYS 36 1HB CYS 36 -3.169 -3.228 -2.367 250 2HB CYS 36 2HB CYS 36 -2.179 -1.914 -1.762 251 H CYS 37 H CYS 37 -0.604 -1.594 -0.714 252 HA CYS 37 HA CYS 37 -1.096 -0.886 2.086 253 1HB CYS 37 1HB CYS 37 1.470 -1.151 0.596 254 2HB CYS 37 2HB CYS 37 1.328 0.180 1.727 255 H PHE 38 H PHE 38 -1.023 1.481 2.488 256 HA PHE 38 HA PHE 38 -1.453 3.008 0.016 257 1HB PHE 38 1HB PHE 38 -3.555 2.656 1.281 258 2HB PHE 38 2HB PHE 38 -2.765 3.057 2.794 259 HD1 PHE 38 HD1 PHE 38 -2.304 5.375 3.382 260 HD2 PHE 38 HD2 PHE 38 -4.238 4.400 -0.268 261 HE1 PHE 38 HE1 PHE 38 -3.015 7.768 3.119 262 HE2 PHE 38 HE2 PHE 38 -4.948 6.793 -0.531 263 HZ PHE 38 HZ PHE 38 -4.328 8.448 1.165 264 H ASP 39 H ASP 39 -1.338 5.528 0.633 265 HA ASP 39 HA ASP 39 0.303 6.268 2.733 266 1HB ASP 39 1HB ASP 39 2.171 5.219 1.668 267 2HB ASP 39 2HB ASP 39 1.662 5.732 0.072 268 H SER 40 H SER 40 0.478 8.625 2.759 269 HA SER 40 HA SER 40 -0.559 9.940 0.384 270 1HB SER 40 1HB SER 40 -2.003 11.386 1.777 271 2HB SER 40 2HB SER 40 -2.455 9.701 1.941 272 HG SER 40 HG SER 40 -2.272 11.004 3.983 273 H ARG 41 H ARG 41 2.087 9.495 2.066 274 HA ARG 41 HA ARG 41 2.748 11.926 3.185 275 1HB ARG 41 1HB ARG 41 3.947 9.482 3.050 276 2HB ARG 41 2HB ARG 41 4.906 10.313 1.841 277 1HG ARG 41 1HG ARG 41 4.468 11.861 4.353 278 2HG ARG 41 2HG ARG 41 5.402 10.393 4.556 279 1HD ARG 41 1HD ARG 41 6.409 11.629 2.186 280 2HD ARG 41 2HD ARG 41 6.213 12.923 3.351 281 HE ARG 41 HE ARG 41 7.954 12.012 4.624 282 1HH1 ARG 41 1HH1 ARG 41 6.780 9.578 2.370 283 2HH1 ARG 41 2HH1 ARG 41 8.039 8.446 2.738 284 1HH2 ARG 41 1HH2 ARG 41 9.615 10.520 5.109 285 2HH2 ARG 41 2HH2 ARG 41 9.662 8.986 4.306 286 H ILE 42 H ILE 42 3.283 10.569 -0.133 287 HA ILE 42 HA ILE 42 3.477 13.288 -1.131 288 HB ILE 42 HB ILE 42 5.473 12.083 -2.558 289 1HG1 ILE 42 1HG1 ILE 42 7.046 11.145 -0.889 290 2HG1 ILE 42 2HG1 ILE 42 5.788 11.209 0.330 291 1HG2 ILE 42 1HG2 ILE 42 5.449 14.381 -1.752 292 2HG2 ILE 42 2HG2 ILE 42 5.726 13.819 -0.086 293 3HG2 ILE 42 3HG2 ILE 42 6.980 13.579 -1.327 294 1HD1 ILE 42 1HD1 ILE 42 4.922 9.871 -2.168 295 2HD1 ILE 42 2HD1 ILE 42 6.269 9.053 -1.341 296 3HD1 ILE 42 3HD1 ILE 42 4.741 9.348 -0.476 297 HA PRO 43 HA PRO 43 1.011 11.340 -4.114 298 1HB PRO 43 1HB PRO 43 0.697 13.441 -5.833 299 2HB PRO 43 2HB PRO 43 -0.269 13.235 -4.386 300 1HG PRO 43 1HG PRO 43 1.953 15.122 -4.878 301 2HG PRO 43 2HG PRO 43 0.719 15.179 -3.635 302 1HD PRO 43 1HD PRO 43 3.452 14.373 -3.304 303 2HD PRO 43 2HD PRO 43 2.189 14.320 -2.090 304 H GLY 44 H GLY 44 3.883 13.070 -5.094 305 1HA GLY 44 1HA GLY 44 5.539 12.341 -6.466 306 2HA GLY 44 2HA GLY 44 4.249 12.384 -7.651 307 H VAL 45 H VAL 45 4.746 10.167 -4.822 308 HA VAL 45 HA VAL 45 5.343 7.992 -6.639 309 HB VAL 45 HB VAL 45 6.177 6.898 -4.823 310 1HG1 VAL 45 1HG1 VAL 45 6.936 9.494 -5.059 311 2HG1 VAL 45 2HG1 VAL 45 6.429 9.461 -3.353 312 3HG1 VAL 45 3HG1 VAL 45 7.682 8.336 -3.931 313 1HG2 VAL 45 1HG2 VAL 45 4.135 8.372 -3.137 314 2HG2 VAL 45 2HG2 VAL 45 4.207 6.633 -3.509 315 3HG2 VAL 45 3HG2 VAL 45 5.431 7.367 -2.446 316 HA PRO 46 HA PRO 46 1.419 6.183 -6.477 317 1HB PRO 46 1HB PRO 46 1.873 3.505 -6.175 318 2HB PRO 46 2HB PRO 46 2.064 4.343 -7.702 319 1HG PRO 46 1HG PRO 46 4.151 3.369 -5.848 320 2HG PRO 46 2HG PRO 46 4.303 3.813 -7.537 321 1HD PRO 46 1HD PRO 46 5.121 5.372 -5.272 322 2HD PRO 46 2HD PRO 46 5.165 5.863 -6.954 323 H TRP 47 H TRP 47 0.533 7.267 -4.693 324 HA TRP 47 HA TRP 47 0.844 6.898 -2.130 325 1HB TRP 47 1HB TRP 47 -1.613 7.204 -3.774 326 2HB TRP 47 2HB TRP 47 -1.831 6.795 -2.083 327 HD1 TRP 47 HD1 TRP 47 1.099 9.099 -3.010 328 HE1 TRP 47 HE1 TRP 47 0.718 11.552 -2.115 329 HE3 TRP 47 HE3 TRP 47 -3.714 8.376 -1.535 330 HZ2 TRP 47 HZ2 TRP 47 -1.503 12.885 -0.917 331 HZ3 TRP 47 HZ3 TRP 47 -4.917 10.305 -0.512 332 HH2 TRP 47 HH2 TRP 47 -3.889 12.500 -0.195 333 H CYS 48 H CYS 48 -1.193 4.636 -4.131 334 HA CYS 48 HA CYS 48 -1.084 2.716 -1.972 335 1HB CYS 48 1HB CYS 48 -3.139 3.325 -3.453 336 2HB CYS 48 2HB CYS 48 -2.408 2.250 -4.628 337 H PHE 49 H PHE 49 0.588 1.257 -1.887 338 HA PHE 49 HA PHE 49 1.637 0.268 -4.422 339 1HB PHE 49 1HB PHE 49 3.958 0.509 -3.249 340 2HB PHE 49 2HB PHE 49 3.225 2.001 -3.803 341 HD1 PHE 49 HD1 PHE 49 3.479 -0.144 -0.766 342 HD2 PHE 49 HD2 PHE 49 2.983 3.772 -2.323 343 HE1 PHE 49 HE1 PHE 49 3.643 0.799 1.554 344 HE2 PHE 49 HE2 PHE 49 3.148 4.716 -0.003 345 HZ PHE 49 HZ PHE 49 3.476 3.218 1.908 346 H LYS 50 H LYS 50 3.114 -1.698 -4.027 347 HA LYS 50 HA LYS 50 1.701 -3.498 -2.361 348 1HB LYS 50 1HB LYS 50 4.309 -3.826 -3.875 349 2HB LYS 50 2HB LYS 50 3.391 -5.125 -3.141 350 1HG LYS 50 1HG LYS 50 1.384 -4.104 -4.585 351 2HG LYS 50 2HG LYS 50 2.687 -3.426 -5.540 352 1HD LYS 50 1HD LYS 50 3.497 -6.087 -5.148 353 2HD LYS 50 2HD LYS 50 1.762 -6.223 -5.354 354 1HE LYS 50 1HE LYS 50 2.611 -4.356 -7.331 355 2HE LYS 50 2HE LYS 50 3.809 -5.634 -7.355 356 1HZ LYS 50 1HZ LYS 50 1.429 -6.924 -7.165 357 2HZ LYS 50 2HZ LYS 50 1.123 -5.708 -8.212 358 3HZ LYS 50 3HZ LYS 50 2.332 -6.763 -8.516 359 HA PRO 51 HA PRO 51 4.034 -3.308 1.265 360 1HB PRO 51 1HB PRO 51 4.165 -5.901 2.118 361 2HB PRO 51 2HB PRO 51 2.743 -4.897 2.319 362 1HG PRO 51 1HG PRO 51 3.205 -7.094 0.396 363 2HG PRO 51 2HG PRO 51 1.687 -6.376 0.899 364 1HD PRO 51 1HD PRO 51 3.066 -5.918 -1.575 365 2HD PRO 51 2HD PRO 51 1.610 -5.114 -1.022 366 H LEU 52 H LEU 52 6.070 -2.733 1.664 367 HA LEU 52 HA LEU 52 8.128 -3.169 0.079 368 1HB LEU 52 1HB LEU 52 8.295 -1.759 1.984 369 2HB LEU 52 2HB LEU 52 8.089 -3.102 3.091 370 HG LEU 52 HG LEU 52 10.476 -2.749 1.257 371 1HD1 LEU 52 1HD1 LEU 52 10.276 -0.953 2.971 372 2HD1 LEU 52 2HD1 LEU 52 10.322 -2.207 4.233 373 3HD1 LEU 52 3HD1 LEU 52 11.721 -1.974 3.159 374 1HD2 LEU 52 1HD2 LEU 52 9.559 -4.927 2.979 375 2HD2 LEU 52 2HD2 LEU 52 10.797 -4.911 1.700 376 3HD2 LEU 52 3HD2 LEU 52 11.215 -4.390 3.350 377 H GLN 53 H GLN 53 9.602 -4.747 -0.506 378 HA GLN 53 HA GLN 53 8.770 -7.379 -0.181 379 1HB GLN 53 1HB GLN 53 10.981 -5.931 -1.503 380 2HB GLN 53 2HB GLN 53 11.442 -7.534 -0.967 381 1HG GLN 53 1HG GLN 53 10.451 -8.317 -2.857 382 2HG GLN 53 2HG GLN 53 8.917 -7.976 -2.080 383 2HE2 GLN 53 2HE2 GLN 53 8.664 -5.341 -2.042 384 1HE2 GLN 53 1HE2 GLN 53 8.662 -4.645 -3.629 385 H GLU 54 H GLU 54 8.559 -7.589 2.180 386 HA GLU 54 HA GLU 54 10.803 -7.267 3.824 387 1HB GLU 54 1HB GLU 54 9.368 -8.591 5.480 388 2HB GLU 54 2HB GLU 54 8.653 -7.119 4.852 389 1HG GLU 54 1HG GLU 54 7.029 -8.246 3.663 390 2HG GLU 54 2HG GLU 54 8.107 -9.555 3.221 391 H ALA 55 H ALA 55 12.129 -8.561 2.020 392 HA ALA 55 HA ALA 55 12.293 -11.321 3.008 393 1HB ALA 55 1HB ALA 55 11.203 -11.024 0.692 394 2HB ALA 55 2HB ALA 55 12.815 -10.519 0.131 395 3HB ALA 55 3HB ALA 55 12.577 -12.150 0.803 396 H GLU 56 H GLU 56 14.088 -9.070 0.783 397 HA GLU 56 HA GLU 56 16.130 -8.540 2.524 398 1HB GLU 56 1HB GLU 56 16.308 -11.219 1.432 399 2HB GLU 56 2HB GLU 56 17.640 -10.266 0.811 400 1HG GLU 56 1HG GLU 56 18.317 -9.624 3.088 401 2HG GLU 56 2HG GLU 56 16.900 -10.395 3.771 402 H CYS 57 H CYS 57 18.334 -8.126 0.974 403 HA CYS 57 HA CYS 57 19.146 -6.743 -0.526 404 1HB CYS 57 1HB CYS 57 17.195 -8.333 -2.138 405 2HB CYS 57 2HB CYS 57 17.967 -6.950 -2.888 406 H THR 58 H THR 58 18.666 -4.695 0.344 407 HA THR 58 HA THR 58 16.024 -3.578 -0.243 408 HB THR 58 HB THR 58 16.943 -1.801 1.414 409 HG1 THR 58 HG1 THR 58 19.127 -2.178 1.614 410 1HG2 THR 58 1HG2 THR 58 15.469 -3.739 2.169 411 2HG2 THR 58 2HG2 THR 58 16.951 -4.687 2.439 412 3HG2 THR 58 3HG2 THR 58 16.647 -3.218 3.398 413 H PHE 59 H PHE 59 19.510 -2.576 -0.422 414 HA PHE 59 HA PHE 59 18.721 -0.647 -2.450 415 1HB PHE 59 1HB PHE 59 20.532 -0.732 -0.287 416 2HB PHE 59 2HB PHE 59 21.584 -1.010 -1.660 417 HD1 PHE 59 HD1 PHE 59 21.572 0.695 -3.547 418 HD2 PHE 59 HD2 PHE 59 19.767 1.433 0.222 419 HE1 PHE 59 HE1 PHE 59 21.629 3.163 -4.003 420 HE2 PHE 59 HE2 PHE 59 19.825 3.901 -0.234 421 HZ PHE 59 HZ PHE 59 20.755 4.736 -2.341 No H/Q in entry = 421 Start of MODEL 76 1 H GLU 1 H GLU 1 7.341 -14.880 18.540 2 HA GLU 1 HA GLU 1 10.107 -14.547 19.346 3 1HB GLU 1 1HB GLU 1 8.694 -15.980 17.134 4 2HB GLU 1 2HB GLU 1 10.252 -15.291 16.724 5 1HG GLU 1 1HG GLU 1 11.145 -17.185 17.623 6 2HG GLU 1 2HG GLU 1 10.799 -16.459 19.180 7 H GLU 2 H GLU 2 7.882 -13.559 16.636 8 HA GLU 2 HA GLU 2 8.431 -10.884 16.870 9 1HB GLU 2 1HB GLU 2 10.688 -12.123 15.857 10 2HB GLU 2 2HB GLU 2 9.861 -11.654 14.384 11 1HG GLU 2 1HG GLU 2 10.453 -9.486 14.680 12 2HG GLU 2 2HG GLU 2 9.702 -9.454 16.263 13 H TYR 3 H TYR 3 6.714 -9.909 15.870 14 HA TYR 3 HA TYR 3 5.797 -10.920 13.323 15 1HB TYR 3 1HB TYR 3 4.723 -12.205 15.366 16 2HB TYR 3 2HB TYR 3 3.959 -10.683 15.777 17 HD1 TYR 3 HD1 TYR 3 4.036 -13.463 13.366 18 HD2 TYR 3 HD2 TYR 3 2.124 -9.789 14.439 19 HE1 TYR 3 HE1 TYR 3 2.117 -13.992 11.785 20 HE2 TYR 3 HE2 TYR 3 0.211 -10.330 12.855 21 HH TYR 3 HH TYR 3 0.356 -12.315 10.470 22 H VAL 4 H VAL 4 5.123 -9.239 12.067 23 HA VAL 4 HA VAL 4 3.720 -7.034 13.144 24 HB VAL 4 HB VAL 4 6.270 -6.774 13.769 25 1HG1 VAL 4 1HG1 VAL 4 7.128 -7.088 11.496 26 2HG1 VAL 4 2HG1 VAL 4 6.180 -5.690 10.933 27 3HG1 VAL 4 3HG1 VAL 4 7.506 -5.455 12.097 28 1HG2 VAL 4 1HG2 VAL 4 4.282 -4.727 12.832 29 2HG2 VAL 4 2HG2 VAL 4 4.887 -5.062 14.472 30 3HG2 VAL 4 3HG2 VAL 4 5.919 -4.209 13.300 31 H GLY 5 H GLY 5 2.859 -5.697 11.455 32 1HA GLY 5 1HA GLY 5 1.976 -6.712 9.215 33 2HA GLY 5 2HA GLY 5 3.627 -6.401 8.715 34 H LEU 6 H LEU 6 0.481 -5.041 9.252 35 HA LEU 6 HA LEU 6 1.034 -2.708 7.893 36 1HB LEU 6 1HB LEU 6 -1.138 -1.930 8.840 37 2HB LEU 6 2HB LEU 6 -1.178 -3.473 8.010 38 HG LEU 6 HG LEU 6 -2.430 -3.085 10.305 39 1HD1 LEU 6 1HD1 LEU 6 -1.595 -5.318 8.820 40 2HD1 LEU 6 2HD1 LEU 6 -1.247 -5.709 10.522 41 3HD1 LEU 6 3HD1 LEU 6 -2.893 -5.238 10.036 42 1HD2 LEU 6 1HD2 LEU 6 -0.458 -2.376 11.559 43 2HD2 LEU 6 2HD2 LEU 6 -1.145 -3.873 12.233 44 3HD2 LEU 6 3HD2 LEU 6 0.326 -3.940 11.233 45 H SER 7 H SER 7 0.075 -0.537 9.371 46 HA SER 7 HA SER 7 0.475 0.735 11.185 47 1HB SER 7 1HB SER 7 1.910 0.177 12.943 48 2HB SER 7 2HB SER 7 1.484 -1.408 12.328 49 HG SER 7 HG SER 7 3.528 -1.755 11.804 50 H ALA 8 H ALA 8 3.115 -0.527 9.100 51 HA ALA 8 HA ALA 8 3.636 1.652 7.672 52 1HB ALA 8 1HB ALA 8 4.651 2.013 10.448 53 2HB ALA 8 2HB ALA 8 5.782 2.441 9.142 54 3HB ALA 8 3HB ALA 8 4.188 3.227 9.231 55 H ASN 9 H ASN 9 4.818 -1.087 9.550 56 HA ASN 9 HA ASN 9 7.296 -1.442 8.556 57 1HB ASN 9 1HB ASN 9 5.247 -3.074 9.806 58 2HB ASN 9 2HB ASN 9 5.980 -4.016 8.523 59 2HD2 ASN 9 2HD2 ASN 9 6.735 -1.928 11.286 60 1HD2 ASN 9 1HD2 ASN 9 8.200 -2.714 11.772 61 H GLN 10 H GLN 10 4.550 -3.486 7.341 62 HA GLN 10 HA GLN 10 5.654 -4.229 5.019 63 1HB GLN 10 1HB GLN 10 3.228 -4.423 4.177 64 2HB GLN 10 2HB GLN 10 3.615 -5.258 5.668 65 1HG GLN 10 1HG GLN 10 2.670 -3.399 7.001 66 2HG GLN 10 2HG GLN 10 2.375 -2.469 5.545 67 2HE2 GLN 10 2HE2 GLN 10 1.343 -4.158 3.780 68 1HE2 GLN 10 1HE2 GLN 10 -0.150 -4.853 4.316 69 H CYS 11 H CYS 11 4.163 -1.093 5.802 70 HA CYS 11 HA CYS 11 4.570 -0.275 3.024 71 1HB CYS 11 1HB CYS 11 3.059 1.359 5.034 72 2HB CYS 11 2HB CYS 11 2.941 1.360 3.285 73 H ALA 12 H ALA 12 6.881 -0.647 4.551 74 HA ALA 12 HA ALA 12 7.553 2.031 5.535 75 1HB ALA 12 1HB ALA 12 8.765 -0.724 5.960 76 2HB ALA 12 2HB ALA 12 9.547 0.780 6.501 77 3HB ALA 12 3HB ALA 12 7.962 0.314 7.163 78 H VAL 13 H VAL 13 7.217 1.797 2.754 79 HA VAL 13 HA VAL 13 9.857 1.334 1.649 80 HB VAL 13 HB VAL 13 7.710 2.448 -0.035 81 1HG1 VAL 13 1HG1 VAL 13 9.957 0.560 -0.205 82 2HG1 VAL 13 2HG1 VAL 13 8.507 0.031 -1.091 83 3HG1 VAL 13 3HG1 VAL 13 9.243 1.611 -1.451 84 1HG2 VAL 13 1HG2 VAL 13 7.308 -0.041 1.598 85 2HG2 VAL 13 2HG2 VAL 13 6.139 1.219 1.133 86 3HG2 VAL 13 3HG2 VAL 13 6.684 0.024 -0.068 87 HA PRO 14 HA PRO 14 10.937 5.520 1.794 88 1HB PRO 14 1HB PRO 14 12.948 5.577 -0.056 89 2HB PRO 14 2HB PRO 14 13.174 5.017 1.589 90 1HG PRO 14 1HG PRO 14 12.979 3.431 -0.898 91 2HG PRO 14 2HG PRO 14 13.617 2.952 0.663 92 1HD PRO 14 1HD PRO 14 11.070 2.235 -0.444 93 2HD PRO 14 2HD PRO 14 11.660 1.853 1.161 94 H ALA 15 H ALA 15 9.193 4.204 -0.598 95 HA ALA 15 HA ALA 15 7.695 5.317 -1.881 96 1HB ALA 15 1HB ALA 15 9.330 7.825 -2.048 97 2HB ALA 15 2HB ALA 15 7.565 7.618 -1.953 98 3HB ALA 15 3HB ALA 15 8.563 7.435 -0.490 99 H LYS 16 H LYS 16 11.200 5.312 -2.265 100 HA LYS 16 HA LYS 16 10.967 5.527 -5.151 101 1HB LYS 16 1HB LYS 16 13.401 5.576 -5.127 102 2HB LYS 16 2HB LYS 16 12.745 6.768 -4.023 103 1HG LYS 16 1HG LYS 16 14.203 5.851 -2.515 104 2HG LYS 16 2HG LYS 16 12.971 4.620 -2.326 105 1HD LYS 16 1HD LYS 16 15.050 3.460 -2.729 106 2HD LYS 16 2HD LYS 16 14.095 3.299 -4.189 107 1HE LYS 16 1HE LYS 16 15.352 5.099 -5.288 108 2HE LYS 16 2HE LYS 16 16.202 5.476 -3.802 109 1HZ LYS 16 1HZ LYS 16 16.393 2.744 -4.676 110 2HZ LYS 16 2HZ LYS 16 17.138 3.837 -5.634 111 3HZ LYS 16 3HZ LYS 16 17.543 3.724 -4.056 112 H ASP 17 H ASP 17 10.041 3.212 -3.179 113 HA ASP 17 HA ASP 17 11.151 1.156 -4.907 114 1HB ASP 17 1HB ASP 17 11.604 1.440 -2.089 115 2HB ASP 17 2HB ASP 17 10.504 0.089 -2.279 116 H ARG 18 H ARG 18 8.544 2.859 -4.495 117 HA ARG 18 HA ARG 18 6.640 1.005 -3.562 118 1HB ARG 18 1HB ARG 18 6.126 3.468 -5.295 119 2HB ARG 18 2HB ARG 18 4.992 2.696 -4.205 120 1HG ARG 18 1HG ARG 18 7.609 3.992 -3.307 121 2HG ARG 18 2HG ARG 18 6.054 4.799 -3.270 122 1HD ARG 18 1HD ARG 18 5.249 2.732 -1.860 123 2HD ARG 18 2HD ARG 18 6.954 2.390 -1.647 124 HE ARG 18 HE ARG 18 7.021 4.113 -0.085 125 1HH1 ARG 18 1HH1 ARG 18 4.417 4.781 -2.356 126 2HH1 ARG 18 2HH1 ARG 18 3.906 6.222 -1.543 127 1HH2 ARG 18 1HH2 ARG 18 6.348 6.015 0.988 128 2HH2 ARG 18 2HH2 ARG 18 5.012 6.929 0.372 129 H VAL 19 H VAL 19 6.025 -0.799 -4.714 130 HA VAL 19 HA VAL 19 6.594 -1.035 -7.479 131 HB VAL 19 HB VAL 19 4.771 -2.771 -5.816 132 1HG1 VAL 19 1HG1 VAL 19 6.204 -3.026 -8.414 133 2HG1 VAL 19 2HG1 VAL 19 6.172 -4.466 -7.367 134 3HG1 VAL 19 3HG1 VAL 19 4.647 -3.709 -7.887 135 1HG2 VAL 19 1HG2 VAL 19 7.689 -2.316 -5.575 136 2HG2 VAL 19 2HG2 VAL 19 6.519 -2.946 -4.390 137 3HG2 VAL 19 3HG2 VAL 19 7.180 -4.020 -5.646 138 H ASP 20 H ASP 20 4.146 0.585 -5.742 139 HA ASP 20 HA ASP 20 2.274 1.522 -6.303 140 1HB ASP 20 1HB ASP 20 3.611 2.334 -8.267 141 2HB ASP 20 2HB ASP 20 3.114 0.923 -9.180 142 H CYS 21 H CYS 21 0.361 0.420 -5.854 143 HA CYS 21 HA CYS 21 -0.031 -2.204 -6.905 144 1HB CYS 21 1HB CYS 21 -0.858 -0.825 -4.639 145 2HB CYS 21 2HB CYS 21 -2.329 -0.991 -5.577 146 H GLY 22 H GLY 22 -0.517 0.985 -8.019 147 1HA GLY 22 1HA GLY 22 -1.731 0.291 -10.401 148 2HA GLY 22 2HA GLY 22 -1.698 1.897 -9.699 149 H TYR 23 H TYR 23 -3.396 2.432 -8.013 150 HA TYR 23 HA TYR 23 -5.920 1.253 -8.863 151 1HB TYR 23 1HB TYR 23 -4.608 0.398 -6.573 152 2HB TYR 23 2HB TYR 23 -5.439 1.796 -5.921 153 HD1 TYR 23 HD1 TYR 23 -6.417 -0.915 -8.338 154 HD2 TYR 23 HD2 TYR 23 -7.318 1.181 -4.719 155 HE1 TYR 23 HE1 TYR 23 -8.533 -2.296 -8.056 156 HE2 TYR 23 HE2 TYR 23 -9.431 -0.207 -4.450 157 HH TYR 23 HH TYR 23 -9.997 -3.003 -6.296 158 HA PRO 24 HA PRO 24 -7.081 5.415 -8.553 159 1HB PRO 24 1HB PRO 24 -9.797 5.172 -8.733 160 2HB PRO 24 2HB PRO 24 -8.738 5.138 -10.129 161 1HG PRO 24 1HG PRO 24 -10.139 2.893 -8.810 162 2HG PRO 24 2HG PRO 24 -9.439 2.959 -10.415 163 1HD PRO 24 1HD PRO 24 -8.327 1.665 -8.110 164 2HD PRO 24 2HD PRO 24 -7.574 1.831 -9.683 165 H HIS 25 H HIS 25 -9.827 3.964 -6.926 166 HA HIS 25 HA HIS 25 -9.727 5.886 -4.899 167 1HB HIS 25 1HB HIS 25 -11.725 5.049 -4.348 168 2HB HIS 25 2HB HIS 25 -11.571 4.104 -5.816 169 HD1 HIS 25 HD1 HIS 25 -12.199 3.726 -2.282 170 HD2 HIS 25 HD2 HIS 25 -10.284 1.427 -5.221 171 HE1 HIS 25 HE1 HIS 25 -12.078 1.349 -1.364 172 HE2 HIS 25 HE2 HIS 25 -10.940 -0.028 -3.236 173 H VAL 26 H VAL 26 -7.764 6.023 -3.810 174 HA VAL 26 HA VAL 26 -7.067 3.620 -2.272 175 HB VAL 26 HB VAL 26 -4.701 4.359 -2.473 176 1HG1 VAL 26 1HG1 VAL 26 -6.323 3.445 -4.833 177 2HG1 VAL 26 2HG1 VAL 26 -4.578 3.740 -5.024 178 3HG1 VAL 26 3HG1 VAL 26 -5.153 2.545 -3.837 179 1HG2 VAL 26 1HG2 VAL 26 -5.850 6.684 -3.582 180 2HG2 VAL 26 2HG2 VAL 26 -4.121 6.295 -3.419 181 3HG2 VAL 26 3HG2 VAL 26 -4.989 5.879 -4.916 182 H THR 27 H THR 27 -7.085 3.936 -0.101 183 HA THR 27 HA THR 27 -6.598 6.641 0.895 184 HB THR 27 HB THR 27 -8.704 6.846 1.886 185 HG1 THR 27 HG1 THR 27 -9.272 5.069 3.076 186 1HG2 THR 27 1HG2 THR 27 -9.335 4.756 -0.265 187 2HG2 THR 27 2HG2 THR 27 -10.506 5.866 0.486 188 3HG2 THR 27 3HG2 THR 27 -9.215 6.507 -0.558 189 HA PRO 28 HA PRO 28 -4.613 4.626 4.128 190 1HB PRO 28 1HB PRO 28 -5.302 5.985 6.397 191 2HB PRO 28 2HB PRO 28 -4.123 6.579 5.244 192 1HG PRO 28 1HG PRO 28 -6.907 7.474 5.677 193 2HG PRO 28 2HG PRO 28 -5.602 8.307 4.856 194 1HD PRO 28 1HD PRO 28 -7.806 6.942 3.629 195 2HD PRO 28 2HD PRO 28 -6.440 7.674 2.811 196 H LYS 29 H LYS 29 -6.945 3.282 3.308 197 HA LYS 29 HA LYS 29 -7.131 1.446 5.386 198 1HB LYS 29 1HB LYS 29 -8.440 3.527 6.302 199 2HB LYS 29 2HB LYS 29 -9.710 2.983 5.224 200 1HG LYS 29 1HG LYS 29 -8.368 1.009 7.099 201 2HG LYS 29 2HG LYS 29 -9.627 2.069 7.702 202 1HD LYS 29 1HD LYS 29 -11.250 1.190 6.122 203 2HD LYS 29 2HD LYS 29 -10.012 0.337 5.222 204 1HE LYS 29 1HE LYS 29 -10.842 -1.417 6.513 205 2HE LYS 29 2HE LYS 29 -9.552 -0.862 7.561 206 1HZ LYS 29 1HZ LYS 29 -12.014 0.531 7.938 207 2HZ LYS 29 2HZ LYS 29 -12.114 -1.064 8.274 208 3HZ LYS 29 3HZ LYS 29 -11.014 -0.135 9.044 209 H GLU 30 H GLU 30 -8.915 3.067 2.692 210 HA GLU 30 HA GLU 30 -10.137 0.667 1.883 211 1HB GLU 30 1HB GLU 30 -10.132 3.474 1.095 212 2HB GLU 30 2HB GLU 30 -10.047 2.453 -0.327 213 1HG GLU 30 1HG GLU 30 -12.383 2.707 0.104 214 2HG GLU 30 2HG GLU 30 -11.996 1.097 0.675 215 H CYS 31 H CYS 31 -7.137 2.425 1.004 216 HA CYS 31 HA CYS 31 -6.584 0.782 -1.235 217 1HB CYS 31 1HB CYS 31 -5.564 2.829 -1.398 218 2HB CYS 31 2HB CYS 31 -5.136 2.890 0.300 219 H ASN 32 H ASN 32 -5.978 0.727 2.277 220 HA ASN 32 HA ASN 32 -4.121 -1.447 1.986 221 1HB ASN 32 1HB ASN 32 -3.439 -0.873 4.110 222 2HB ASN 32 2HB ASN 32 -4.371 0.588 3.848 223 2HD2 ASN 32 2HD2 ASN 32 -3.774 -1.636 6.044 224 1HD2 ASN 32 1HD2 ASN 32 -5.287 -1.775 6.876 225 H ASN 33 H ASN 33 -7.421 -1.095 1.806 226 HA ASN 33 HA ASN 33 -8.017 -3.405 3.449 227 1HB ASN 33 1HB ASN 33 -9.599 -1.620 3.794 228 2HB ASN 33 2HB ASN 33 -9.711 -1.272 2.080 229 2HD2 ASN 33 2HD2 ASN 33 -12.017 -1.409 2.575 230 1HD2 ASN 33 1HD2 ASN 33 -12.820 -2.942 2.498 231 H ARG 34 H ARG 34 -8.122 -2.081 0.093 232 HA ARG 34 HA ARG 34 -9.471 -4.156 -1.089 233 1HB ARG 34 1HB ARG 34 -8.469 -1.783 -1.959 234 2HB ARG 34 2HB ARG 34 -7.229 -2.837 -2.611 235 1HG ARG 34 1HG ARG 34 -9.141 -2.411 -4.208 236 2HG ARG 34 2HG ARG 34 -8.857 -4.111 -3.890 237 1HD ARG 34 1HD ARG 34 -10.768 -2.820 -2.002 238 2HD ARG 34 2HD ARG 34 -11.317 -2.857 -3.666 239 HE ARG 34 HE ARG 34 -10.307 -5.437 -3.130 240 1HH1 ARG 34 1HH1 ARG 34 -12.880 -3.367 -1.914 241 2HH1 ARG 34 2HH1 ARG 34 -13.899 -4.689 -1.452 242 1HH2 ARG 34 1HH2 ARG 34 -11.652 -7.181 -2.522 243 2HH2 ARG 34 2HH2 ARG 34 -13.196 -6.873 -1.801 244 H GLY 35 H GLY 35 -6.206 -3.945 0.177 245 1HA GLY 35 1HA GLY 35 -5.587 -6.583 -1.013 246 2HA GLY 35 2HA GLY 35 -5.140 -6.084 0.606 247 H CYS 36 H CYS 36 -3.683 -4.089 0.793 248 HA CYS 36 HA CYS 36 -1.365 -4.489 -0.594 249 1HB CYS 36 1HB CYS 36 -3.148 -3.292 -2.331 250 2HB CYS 36 2HB CYS 36 -2.236 -1.928 -1.716 251 H CYS 37 H CYS 37 -0.599 -1.592 -0.732 252 HA CYS 37 HA CYS 37 -0.970 -0.905 2.093 253 1HB CYS 37 1HB CYS 37 1.514 -1.259 0.532 254 2HB CYS 37 2HB CYS 37 1.450 0.194 1.509 255 H PHE 38 H PHE 38 -1.022 1.427 2.511 256 HA PHE 38 HA PHE 38 -1.516 2.979 0.067 257 1HB PHE 38 1HB PHE 38 -3.569 2.576 1.399 258 2HB PHE 38 2HB PHE 38 -2.737 2.984 2.887 259 HD1 PHE 38 HD1 PHE 38 -4.062 4.389 -0.263 260 HD2 PHE 38 HD2 PHE 38 -2.575 5.233 3.621 261 HE1 PHE 38 HE1 PHE 38 -4.827 6.769 -0.487 262 HE2 PHE 38 HE2 PHE 38 -3.339 7.614 3.396 263 HZ PHE 38 HZ PHE 38 -4.456 8.353 1.345 264 H ASP 39 H ASP 39 -1.403 5.489 0.669 265 HA ASP 39 HA ASP 39 0.256 6.268 2.734 266 1HB ASP 39 1HB ASP 39 2.122 5.212 1.667 267 2HB ASP 39 2HB ASP 39 1.600 5.707 0.069 268 H SER 40 H SER 40 0.452 8.632 2.706 269 HA SER 40 HA SER 40 -0.579 9.914 0.319 270 1HB SER 40 1HB SER 40 -2.108 11.324 1.638 271 2HB SER 40 2HB SER 40 -2.514 9.631 1.834 272 HG SER 40 HG SER 40 -2.000 9.706 3.928 273 H ARG 41 H ARG 41 2.028 9.520 2.052 274 HA ARG 41 HA ARG 41 2.602 11.974 3.191 275 1HB ARG 41 1HB ARG 41 3.835 9.576 3.205 276 2HB ARG 41 2HB ARG 41 4.794 10.312 1.937 277 1HG ARG 41 1HG ARG 41 5.546 12.088 3.382 278 2HG ARG 41 2HG ARG 41 4.322 11.735 4.586 279 1HD ARG 41 1HD ARG 41 5.756 9.302 4.273 280 2HD ARG 41 2HD ARG 41 6.984 10.552 4.259 281 HE ARG 41 HE ARG 41 5.236 11.204 6.379 282 1HH1 ARG 41 1HH1 ARG 41 7.393 8.559 5.523 283 2HH1 ARG 41 2HH1 ARG 41 7.727 8.130 7.168 284 1HH2 ARG 41 1HH2 ARG 41 5.675 10.638 8.549 285 2HH2 ARG 41 2HH2 ARG 41 6.743 9.321 8.900 286 H ILE 42 H ILE 42 3.251 10.591 -0.093 287 HA ILE 42 HA ILE 42 3.487 13.305 -1.101 288 HB ILE 42 HB ILE 42 5.496 12.071 -2.481 289 1HG1 ILE 42 1HG1 ILE 42 7.022 11.124 -0.766 290 2HG1 ILE 42 2HG1 ILE 42 5.726 11.191 0.412 291 1HG2 ILE 42 1HG2 ILE 42 5.386 14.387 -1.573 292 2HG2 ILE 42 2HG2 ILE 42 5.849 13.742 0.020 293 3HG2 ILE 42 3HG2 ILE 42 6.968 13.599 -1.357 294 1HD1 ILE 42 1HD1 ILE 42 4.939 9.867 -2.122 295 2HD1 ILE 42 2HD1 ILE 42 6.246 9.037 -1.245 296 3HD1 ILE 42 3HD1 ILE 42 4.689 9.343 -0.439 297 HA PRO 43 HA PRO 43 1.056 11.374 -4.124 298 1HB PRO 43 1HB PRO 43 0.799 13.474 -5.855 299 2HB PRO 43 2HB PRO 43 -0.197 13.282 -4.426 300 1HG PRO 43 1HG PRO 43 2.054 15.144 -4.880 301 2HG PRO 43 2HG PRO 43 0.796 15.218 -3.661 302 1HD PRO 43 1HD PRO 43 3.513 14.383 -3.275 303 2HD PRO 43 2HD PRO 43 2.227 14.348 -2.086 304 H GLY 44 H GLY 44 3.964 13.073 -5.054 305 1HA GLY 44 1HA GLY 44 5.640 12.319 -6.390 306 2HA GLY 44 2HA GLY 44 4.374 12.376 -7.601 307 H VAL 45 H VAL 45 4.825 10.159 -4.760 308 HA VAL 45 HA VAL 45 5.417 7.975 -6.563 309 HB VAL 45 HB VAL 45 6.200 6.872 -4.728 310 1HG1 VAL 45 1HG1 VAL 45 6.997 9.460 -4.960 311 2HG1 VAL 45 2HG1 VAL 45 6.470 9.432 -3.260 312 3HG1 VAL 45 3HG1 VAL 45 7.714 8.291 -3.824 313 1HG2 VAL 45 1HG2 VAL 45 4.142 8.378 -3.093 314 2HG2 VAL 45 2HG2 VAL 45 4.216 6.634 -3.440 315 3HG2 VAL 45 3HG2 VAL 45 5.421 7.379 -2.363 316 HA PRO 46 HA PRO 46 1.472 6.209 -6.474 317 1HB PRO 46 1HB PRO 46 1.893 3.526 -6.167 318 2HB PRO 46 2HB PRO 46 2.120 4.363 -7.689 319 1HG PRO 46 1HG PRO 46 4.163 3.366 -5.800 320 2HG PRO 46 2HG PRO 46 4.350 3.810 -7.485 321 1HD PRO 46 1HD PRO 46 5.143 5.358 -5.204 322 2HD PRO 46 2HD PRO 46 5.223 5.850 -6.884 323 H TRP 47 H TRP 47 0.608 7.324 -4.685 324 HA TRP 47 HA TRP 47 0.852 6.952 -2.128 325 1HB TRP 47 1HB TRP 47 -1.581 7.249 -3.810 326 2HB TRP 47 2HB TRP 47 -1.822 6.854 -2.120 327 HD1 TRP 47 HD1 TRP 47 1.096 9.170 -3.095 328 HE1 TRP 47 HE1 TRP 47 0.714 11.623 -2.199 329 HE3 TRP 47 HE3 TRP 47 -3.676 8.411 -1.512 330 HZ2 TRP 47 HZ2 TRP 47 -1.491 12.940 -0.956 331 HZ3 TRP 47 HZ3 TRP 47 -4.873 10.332 -0.468 332 HH2 TRP 47 HH2 TRP 47 -3.857 12.536 -0.179 333 H CYS 48 H CYS 48 -1.179 4.689 -4.136 334 HA CYS 48 HA CYS 48 -1.077 2.774 -1.971 335 1HB CYS 48 1HB CYS 48 -3.145 3.375 -3.403 336 2HB CYS 48 2HB CYS 48 -2.421 2.356 -4.631 337 H PHE 49 H PHE 49 0.554 1.269 -1.894 338 HA PHE 49 HA PHE 49 1.607 0.291 -4.430 339 1HB PHE 49 1HB PHE 49 3.928 0.501 -3.247 340 2HB PHE 49 2HB PHE 49 3.213 2.001 -3.804 341 HD1 PHE 49 HD1 PHE 49 3.476 -0.143 -0.771 342 HD2 PHE 49 HD2 PHE 49 2.941 3.772 -2.320 343 HE1 PHE 49 HE1 PHE 49 3.643 0.798 1.550 344 HE2 PHE 49 HE2 PHE 49 3.108 4.713 0.001 345 HZ PHE 49 HZ PHE 49 3.457 3.215 1.908 346 H LYS 50 H LYS 50 3.105 -1.676 -4.010 347 HA LYS 50 HA LYS 50 1.656 -3.479 -2.371 348 1HB LYS 50 1HB LYS 50 4.228 -3.753 -3.950 349 2HB LYS 50 2HB LYS 50 3.455 -5.080 -3.107 350 1HG LYS 50 1HG LYS 50 1.315 -4.037 -4.513 351 2HG LYS 50 2HG LYS 50 2.634 -3.693 -5.614 352 1HD LYS 50 1HD LYS 50 3.116 -6.340 -4.714 353 2HD LYS 50 2HD LYS 50 1.384 -6.265 -4.975 354 1HE LYS 50 1HE LYS 50 2.444 -4.919 -7.210 355 2HE LYS 50 2HE LYS 50 3.573 -6.234 -6.951 356 1HZ LYS 50 1HZ LYS 50 1.436 -7.611 -6.723 357 2HZ LYS 50 2HZ LYS 50 0.724 -6.378 -7.524 358 3HZ LYS 50 3HZ LYS 50 1.957 -7.196 -8.214 359 HA PRO 51 HA PRO 51 3.951 -3.295 1.279 360 1HB PRO 51 1HB PRO 51 4.022 -5.885 2.149 361 2HB PRO 51 2HB PRO 51 2.618 -4.852 2.329 362 1HG PRO 51 1HG PRO 51 3.057 -7.069 0.424 363 2HG PRO 51 2HG PRO 51 1.548 -6.319 0.907 364 1HD PRO 51 1HD PRO 51 2.961 -5.903 -1.555 365 2HD PRO 51 2HD PRO 51 1.515 -5.068 -1.022 366 H LEU 52 H LEU 52 5.992 -2.752 1.688 367 HA LEU 52 HA LEU 52 8.053 -3.272 0.114 368 1HB LEU 52 1HB LEU 52 8.246 -1.788 1.952 369 2HB LEU 52 2HB LEU 52 7.983 -3.070 3.118 370 HG LEU 52 HG LEU 52 10.408 -2.868 1.312 371 1HD1 LEU 52 1HD1 LEU 52 9.934 -1.912 4.132 372 2HD1 LEU 52 2HD1 LEU 52 11.562 -2.300 3.527 373 3HD1 LEU 52 3HD1 LEU 52 10.602 -1.024 2.741 374 1HD2 LEU 52 1HD2 LEU 52 9.407 -4.935 3.131 375 2HD2 LEU 52 2HD2 LEU 52 10.638 -5.024 1.848 376 3HD2 LEU 52 3HD2 LEU 52 11.082 -4.438 3.469 377 H GLN 53 H GLN 53 9.365 -4.935 -0.517 378 HA GLN 53 HA GLN 53 8.525 -7.524 0.041 379 1HB GLN 53 1HB GLN 53 10.742 -8.134 -1.124 380 2HB GLN 53 2HB GLN 53 9.604 -7.169 -2.043 381 1HG GLN 53 1HG GLN 53 11.425 -5.508 -0.413 382 2HG GLN 53 2HG GLN 53 12.289 -6.526 -1.548 383 2HE2 GLN 53 2HE2 GLN 53 10.803 -3.623 -1.118 384 1HE2 GLN 53 1HE2 GLN 53 10.475 -3.165 -2.756 385 H GLU 54 H GLU 54 8.505 -7.452 2.455 386 HA GLU 54 HA GLU 54 10.604 -6.976 4.050 387 1HB GLU 54 1HB GLU 54 9.443 -8.152 5.718 388 2HB GLU 54 2HB GLU 54 8.168 -7.753 4.584 389 1HG GLU 54 1HG GLU 54 8.549 -10.042 3.495 390 2HG GLU 54 2HG GLU 54 9.629 -10.421 4.822 391 H ALA 55 H ALA 55 12.669 -7.736 4.163 392 HA ALA 55 HA ALA 55 13.177 -10.542 3.975 393 1HB ALA 55 1HB ALA 55 14.040 -10.707 1.885 394 2HB ALA 55 2HB ALA 55 13.095 -9.237 1.548 395 3HB ALA 55 3HB ALA 55 14.817 -9.108 1.978 396 H GLU 56 H GLU 56 15.744 -10.824 4.052 397 HA GLU 56 HA GLU 56 16.528 -9.381 6.321 398 1HB GLU 56 1HB GLU 56 17.400 -11.698 4.848 399 2HB GLU 56 2HB GLU 56 18.792 -10.659 5.081 400 1HG GLU 56 1HG GLU 56 17.634 -10.522 7.581 401 2HG GLU 56 2HG GLU 56 17.174 -12.144 7.102 402 H CYS 57 H CYS 57 18.036 -7.692 6.584 403 HA CYS 57 HA CYS 57 18.499 -6.171 4.175 404 1HB CYS 57 1HB CYS 57 17.734 -5.379 6.604 405 2HB CYS 57 2HB CYS 57 19.466 -5.257 6.843 406 H THR 58 H THR 58 20.029 -7.852 3.293 407 HA THR 58 HA THR 58 22.436 -8.426 4.691 408 HB THR 58 HB THR 58 21.320 -9.876 2.939 409 HG1 THR 58 HG1 THR 58 23.956 -8.793 2.238 410 1HG2 THR 58 1HG2 THR 58 21.921 -7.447 1.289 411 2HG2 THR 58 2HG2 THR 58 22.378 -9.004 0.558 412 3HG2 THR 58 3HG2 THR 58 20.689 -8.708 1.037 413 H PHE 59 H PHE 59 24.628 -7.842 3.997 414 HA PHE 59 HA PHE 59 25.180 -5.248 4.169 415 1HB PHE 59 1HB PHE 59 26.679 -7.393 3.936 416 2HB PHE 59 2HB PHE 59 26.580 -7.149 2.203 417 HD1 PHE 59 HD1 PHE 59 27.224 -4.936 5.154 418 HD2 PHE 59 HD2 PHE 59 28.493 -6.241 1.320 419 HE1 PHE 59 HE1 PHE 59 29.176 -3.362 5.264 420 HE2 PHE 59 HE2 PHE 59 30.445 -4.667 1.431 421 HZ PHE 59 HZ PHE 59 30.763 -3.246 3.401 No H/Q in entry = 421 Start of MODEL 77 1 H GLU 1 H GLU 1 11.883 -13.819 20.294 2 HA GLU 1 HA GLU 1 9.742 -14.044 21.029 3 1HB GLU 1 1HB GLU 1 11.020 -11.619 22.344 4 2HB GLU 1 2HB GLU 1 9.518 -12.298 22.937 5 1HG GLU 1 1HG GLU 1 11.014 -13.521 24.227 6 2HG GLU 1 2HG GLU 1 10.886 -14.597 22.850 7 H GLU 2 H GLU 2 10.361 -10.593 20.094 8 HA GLU 2 HA GLU 2 7.543 -10.157 19.846 9 1HB GLU 2 1HB GLU 2 10.019 -8.445 19.523 10 2HB GLU 2 2HB GLU 2 8.477 -7.865 18.926 11 1HG GLU 2 1HG GLU 2 7.814 -7.309 21.021 12 2HG GLU 2 2HG GLU 2 8.081 -8.947 21.585 13 H TYR 3 H TYR 3 6.643 -9.171 17.760 14 HA TYR 3 HA TYR 3 8.004 -9.532 15.329 15 1HB TYR 3 1HB TYR 3 7.452 -11.945 16.287 16 2HB TYR 3 2HB TYR 3 5.775 -11.547 15.971 17 HD1 TYR 3 HD1 TYR 3 5.291 -10.680 13.488 18 HD2 TYR 3 HD2 TYR 3 8.653 -13.064 14.640 19 HE1 TYR 3 HE1 TYR 3 5.562 -11.472 11.087 20 HE2 TYR 3 HE2 TYR 3 8.912 -13.847 12.235 21 HH TYR 3 HH TYR 3 6.572 -12.875 9.761 22 H VAL 4 H VAL 4 7.007 -8.246 13.838 23 HA VAL 4 HA VAL 4 4.235 -8.085 13.543 24 HB VAL 4 HB VAL 4 4.362 -6.954 15.718 25 1HG1 VAL 4 1HG1 VAL 4 6.636 -6.033 15.526 26 2HG1 VAL 4 2HG1 VAL 4 6.071 -4.897 14.278 27 3HG1 VAL 4 3HG1 VAL 4 5.452 -4.771 15.942 28 1HG2 VAL 4 1HG2 VAL 4 3.514 -5.423 13.266 29 2HG2 VAL 4 2HG2 VAL 4 2.516 -6.248 14.488 30 3HG2 VAL 4 3HG2 VAL 4 3.322 -4.712 14.887 31 H GLY 5 H GLY 5 3.874 -7.382 11.482 32 1HA GLY 5 1HA GLY 5 5.688 -7.079 9.577 33 2HA GLY 5 2HA GLY 5 5.724 -5.474 10.280 34 H LEU 6 H LEU 6 2.725 -5.928 11.088 35 HA LEU 6 HA LEU 6 1.550 -5.716 8.422 36 1HB LEU 6 1HB LEU 6 -0.477 -6.321 9.359 37 2HB LEU 6 2HB LEU 6 0.699 -7.337 10.168 38 HG LEU 6 HG LEU 6 -0.339 -4.774 11.391 39 1HD1 LEU 6 1HD1 LEU 6 -1.495 -7.563 11.552 40 2HD1 LEU 6 2HD1 LEU 6 -1.830 -6.293 12.755 41 3HD1 LEU 6 3HD1 LEU 6 -2.303 -6.056 11.055 42 1HD2 LEU 6 1HD2 LEU 6 1.422 -7.001 12.277 43 2HD2 LEU 6 2HD2 LEU 6 1.470 -5.265 12.668 44 3HD2 LEU 6 3HD2 LEU 6 0.290 -6.327 13.474 45 H SER 7 H SER 7 1.014 -3.772 7.579 46 HA SER 7 HA SER 7 0.627 -1.645 7.401 47 1HB SER 7 1HB SER 7 -0.884 -0.626 8.853 48 2HB SER 7 2HB SER 7 -1.144 -2.316 9.239 49 HG SER 7 HG SER 7 0.543 -1.965 10.982 50 H ALA 8 H ALA 8 1.981 0.162 7.377 51 HA ALA 8 HA ALA 8 3.523 1.625 8.081 52 1HB ALA 8 1HB ALA 8 4.011 1.879 10.310 53 2HB ALA 8 2HB ALA 8 4.244 0.133 10.570 54 3HB ALA 8 3HB ALA 8 2.599 0.808 10.478 55 H ASN 9 H ASN 9 4.715 -1.461 9.577 56 HA ASN 9 HA ASN 9 7.248 -1.258 8.710 57 1HB ASN 9 1HB ASN 9 5.478 -3.395 9.668 58 2HB ASN 9 2HB ASN 9 6.613 -4.034 8.496 59 2HD2 ASN 9 2HD2 ASN 9 8.541 -4.590 9.166 60 1HD2 ASN 9 1HD2 ASN 9 9.323 -4.097 10.631 61 H GLN 10 H GLN 10 4.969 -3.680 7.229 62 HA GLN 10 HA GLN 10 6.333 -4.111 4.960 63 1HB GLN 10 1HB GLN 10 4.431 -5.220 4.195 64 2HB GLN 10 2HB GLN 10 4.094 -5.132 5.912 65 1HG GLN 10 1HG GLN 10 2.736 -3.060 5.536 66 2HG GLN 10 2HG GLN 10 3.070 -3.155 3.818 67 2HE2 GLN 10 2HE2 GLN 10 2.131 -5.444 6.388 68 1HE2 GLN 10 1HE2 GLN 10 0.785 -6.158 5.563 69 H CYS 11 H CYS 11 4.256 -1.331 5.765 70 HA CYS 11 HA CYS 11 4.577 -0.333 3.045 71 1HB CYS 11 1HB CYS 11 2.978 1.180 5.034 72 2HB CYS 11 2HB CYS 11 2.705 0.922 3.322 73 H ALA 12 H ALA 12 6.928 -0.510 4.632 74 HA ALA 12 HA ALA 12 7.320 2.260 5.525 75 1HB ALA 12 1HB ALA 12 9.032 -0.178 6.130 76 2HB ALA 12 2HB ALA 12 7.671 0.341 7.153 77 3HB ALA 12 3HB ALA 12 9.075 1.412 6.930 78 H VAL 13 H VAL 13 7.181 1.745 2.741 79 HA VAL 13 HA VAL 13 9.869 1.358 1.791 80 HB VAL 13 HB VAL 13 7.760 2.433 0.017 81 1HG1 VAL 13 1HG1 VAL 13 10.053 0.568 -0.079 82 2HG1 VAL 13 2HG1 VAL 13 8.655 0.098 -1.074 83 3HG1 VAL 13 3HG1 VAL 13 9.425 1.685 -1.314 84 1HG2 VAL 13 1HG2 VAL 13 7.416 -0.096 1.609 85 2HG2 VAL 13 2HG2 VAL 13 6.214 1.138 1.160 86 3HG2 VAL 13 3HG2 VAL 13 6.811 -0.009 -0.063 87 HA PRO 14 HA PRO 14 10.974 5.537 1.838 88 1HB PRO 14 1HB PRO 14 12.978 5.566 -0.019 89 2HB PRO 14 2HB PRO 14 13.208 5.021 1.631 90 1HG PRO 14 1HG PRO 14 12.995 3.412 -0.840 91 2HG PRO 14 2HG PRO 14 13.636 2.944 0.722 92 1HD PRO 14 1HD PRO 14 11.081 2.230 -0.367 93 2HD PRO 14 2HD PRO 14 11.676 1.861 1.239 94 H ALA 15 H ALA 15 9.158 4.237 -0.476 95 HA ALA 15 HA ALA 15 7.693 5.310 -1.805 96 1HB ALA 15 1HB ALA 15 8.718 7.463 -0.417 97 2HB ALA 15 2HB ALA 15 7.441 7.557 -1.653 98 3HB ALA 15 3HB ALA 15 9.136 7.869 -2.099 99 H LYS 16 H LYS 16 11.171 5.227 -2.150 100 HA LYS 16 HA LYS 16 10.979 5.538 -5.038 101 1HB LYS 16 1HB LYS 16 13.421 5.563 -4.980 102 2HB LYS 16 2HB LYS 16 12.747 6.760 -3.892 103 1HG LYS 16 1HG LYS 16 14.314 5.802 -2.469 104 2HG LYS 16 2HG LYS 16 12.936 4.784 -2.099 105 1HD LYS 16 1HD LYS 16 14.947 3.402 -2.503 106 2HD LYS 16 2HD LYS 16 13.726 3.075 -3.717 107 1HE LYS 16 1HE LYS 16 14.931 4.124 -5.427 108 2HE LYS 16 2HE LYS 16 15.729 5.238 -4.334 109 1HZ LYS 16 1HZ LYS 16 16.799 3.083 -3.450 110 2HZ LYS 16 2HZ LYS 16 16.395 2.469 -4.908 111 3HZ LYS 16 3HZ LYS 16 17.377 3.770 -4.814 112 H ASP 17 H ASP 17 10.080 3.184 -3.062 113 HA ASP 17 HA ASP 17 11.164 1.159 -4.844 114 1HB ASP 17 1HB ASP 17 11.650 1.402 -2.025 115 2HB ASP 17 2HB ASP 17 10.562 0.043 -2.229 116 H ARG 18 H ARG 18 8.561 2.840 -4.401 117 HA ARG 18 HA ARG 18 6.664 1.016 -3.425 118 1HB ARG 18 1HB ARG 18 6.161 3.419 -5.245 119 2HB ARG 18 2HB ARG 18 5.011 2.678 -4.151 120 1HG ARG 18 1HG ARG 18 7.607 4.028 -3.272 121 2HG ARG 18 2HG ARG 18 6.032 4.794 -3.238 122 1HD ARG 18 1HD ARG 18 5.275 2.763 -1.777 123 2HD ARG 18 2HD ARG 18 6.983 2.413 -1.597 124 HE ARG 18 HE ARG 18 7.094 4.153 -0.056 125 1HH1 ARG 18 1HH1 ARG 18 4.440 4.807 -2.272 126 2HH1 ARG 18 2HH1 ARG 18 3.953 6.259 -1.462 127 1HH2 ARG 18 1HH2 ARG 18 6.452 6.067 1.014 128 2HH2 ARG 18 2HH2 ARG 18 5.105 6.980 0.420 129 H VAL 19 H VAL 19 5.830 -0.748 -4.500 130 HA VAL 19 HA VAL 19 6.473 -1.147 -7.251 131 HB VAL 19 HB VAL 19 4.718 -2.711 -5.347 132 1HG1 VAL 19 1HG1 VAL 19 5.783 -3.293 -8.111 133 2HG1 VAL 19 2HG1 VAL 19 5.402 -4.608 -6.972 134 3HG1 VAL 19 3HG1 VAL 19 4.128 -3.474 -7.480 135 1HG2 VAL 19 1HG2 VAL 19 7.672 -2.918 -6.003 136 2HG2 VAL 19 2HG2 VAL 19 6.922 -2.592 -4.421 137 3HG2 VAL 19 3HG2 VAL 19 6.749 -4.196 -5.175 138 H ASP 20 H ASP 20 4.003 0.530 -5.544 139 HA ASP 20 HA ASP 20 2.158 1.490 -6.152 140 1HB ASP 20 1HB ASP 20 3.247 2.501 -8.018 141 2HB ASP 20 2HB ASP 20 3.382 0.981 -8.880 142 H CYS 21 H CYS 21 0.286 0.335 -5.653 143 HA CYS 21 HA CYS 21 -0.127 -2.271 -6.680 144 1HB CYS 21 1HB CYS 21 -0.953 -0.950 -4.459 145 2HB CYS 21 2HB CYS 21 -2.400 -0.836 -5.441 146 H GLY 22 H GLY 22 -0.627 0.926 -7.857 147 1HA GLY 22 1HA GLY 22 -1.735 0.120 -10.286 148 2HA GLY 22 2HA GLY 22 -1.675 1.756 -9.661 149 H TYR 23 H TYR 23 -3.381 2.325 -7.924 150 HA TYR 23 HA TYR 23 -5.925 1.216 -8.839 151 1HB TYR 23 1HB TYR 23 -4.677 0.435 -6.478 152 2HB TYR 23 2HB TYR 23 -5.520 1.863 -5.911 153 HD1 TYR 23 HD1 TYR 23 -6.518 -0.827 -8.336 154 HD2 TYR 23 HD2 TYR 23 -7.359 1.193 -4.660 155 HE1 TYR 23 HE1 TYR 23 -8.651 -2.185 -8.069 156 HE2 TYR 23 HE2 TYR 23 -9.488 -0.172 -4.405 157 HH TYR 23 HH TYR 23 -10.278 -2.729 -6.723 158 HA PRO 24 HA PRO 24 -6.975 5.417 -8.720 159 1HB PRO 24 1HB PRO 24 -9.690 5.238 -8.980 160 2HB PRO 24 2HB PRO 24 -8.588 5.126 -10.338 161 1HG PRO 24 1HG PRO 24 -10.091 2.968 -8.988 162 2HG PRO 24 2HG PRO 24 -9.339 2.958 -10.570 163 1HD PRO 24 1HD PRO 24 -8.336 1.719 -8.186 164 2HD PRO 24 2HD PRO 24 -7.530 1.809 -9.739 165 H HIS 25 H HIS 25 -9.733 3.977 -7.076 166 HA HIS 25 HA HIS 25 -9.659 6.008 -5.123 167 1HB HIS 25 1HB HIS 25 -11.700 5.255 -4.599 168 2HB HIS 25 2HB HIS 25 -11.547 4.289 -6.053 169 HD1 HIS 25 HD1 HIS 25 -12.365 3.956 -2.579 170 HD2 HIS 25 HD2 HIS 25 -10.296 1.588 -5.355 171 HE1 HIS 25 HE1 HIS 25 -12.338 1.590 -1.622 172 HE2 HIS 25 HE2 HIS 25 -11.101 0.171 -3.397 173 H VAL 26 H VAL 26 -7.780 6.121 -3.917 174 HA VAL 26 HA VAL 26 -7.178 3.708 -2.354 175 HB VAL 26 HB VAL 26 -4.792 4.488 -2.431 176 1HG1 VAL 26 1HG1 VAL 26 -6.345 3.275 -4.644 177 2HG1 VAL 26 2HG1 VAL 26 -4.710 3.835 -5.068 178 3HG1 VAL 26 3HG1 VAL 26 -4.934 2.656 -3.753 179 1HG2 VAL 26 1HG2 VAL 26 -5.847 6.251 -4.668 180 2HG2 VAL 26 2HG2 VAL 26 -5.136 6.795 -3.129 181 3HG2 VAL 26 3HG2 VAL 26 -4.128 5.943 -4.323 182 H THR 27 H THR 27 -7.133 4.012 -0.167 183 HA THR 27 HA THR 27 -6.822 6.751 0.817 184 HB THR 27 HB THR 27 -8.896 6.725 1.960 185 HG1 THR 27 HG1 THR 27 -8.639 3.846 1.460 186 1HG2 THR 27 1HG2 THR 27 -9.464 4.886 -0.424 187 2HG2 THR 27 2HG2 THR 27 -10.655 5.886 0.441 188 3HG2 THR 27 3HG2 THR 27 -9.377 6.661 -0.526 189 HA PRO 28 HA PRO 28 -4.610 4.906 4.003 190 1HB PRO 28 1HB PRO 28 -5.306 6.274 6.264 191 2HB PRO 28 2HB PRO 28 -4.197 6.908 5.064 192 1HG PRO 28 1HG PRO 28 -7.013 7.657 5.564 193 2HG PRO 28 2HG PRO 28 -5.781 8.542 4.687 194 1HD PRO 28 1HD PRO 28 -7.941 7.032 3.557 195 2HD PRO 28 2HD PRO 28 -6.643 7.820 2.682 196 H LYS 29 H LYS 29 -6.850 3.392 3.281 197 HA LYS 29 HA LYS 29 -6.879 1.595 5.386 198 1HB LYS 29 1HB LYS 29 -8.256 3.620 6.334 199 2HB LYS 29 2HB LYS 29 -9.540 2.992 5.320 200 1HG LYS 29 1HG LYS 29 -8.156 0.881 6.871 201 2HG LYS 29 2HG LYS 29 -8.908 2.094 7.888 202 1HD LYS 29 1HD LYS 29 -10.860 1.614 5.932 203 2HD LYS 29 2HD LYS 29 -10.166 0.026 6.193 204 1HE LYS 29 1HE LYS 29 -10.932 -0.112 8.375 205 2HE LYS 29 2HE LYS 29 -10.721 1.602 8.676 206 1HZ LYS 29 1HZ LYS 29 -12.647 1.850 7.053 207 2HZ LYS 29 2HZ LYS 29 -12.935 0.266 7.326 208 3HZ LYS 29 3HZ LYS 29 -12.983 1.329 8.564 209 H GLU 30 H GLU 30 -9.109 3.050 2.913 210 HA GLU 30 HA GLU 30 -10.175 0.618 2.144 211 1HB GLU 30 1HB GLU 30 -10.550 3.314 1.497 212 2HB GLU 30 2HB GLU 30 -10.008 2.618 -0.017 213 1HG GLU 30 1HG GLU 30 -12.463 2.470 0.144 214 2HG GLU 30 2HG GLU 30 -11.768 0.862 0.140 215 H CYS 31 H CYS 31 -7.345 2.499 0.929 216 HA CYS 31 HA CYS 31 -6.820 0.844 -1.255 217 1HB CYS 31 1HB CYS 31 -5.745 2.841 -1.438 218 2HB CYS 31 2HB CYS 31 -5.348 2.928 0.266 219 H ASN 32 H ASN 32 -6.073 0.704 2.234 220 HA ASN 32 HA ASN 32 -4.291 -1.515 1.811 221 1HB ASN 32 1HB ASN 32 -3.448 -0.934 3.865 222 2HB ASN 32 2HB ASN 32 -4.438 0.507 3.736 223 2HD2 ASN 32 2HD2 ASN 32 -3.858 -2.401 5.376 224 1HD2 ASN 32 1HD2 ASN 32 -5.205 -2.398 6.465 225 H ASN 33 H ASN 33 -7.547 -1.145 1.688 226 HA ASN 33 HA ASN 33 -8.143 -3.417 3.393 227 1HB ASN 33 1HB ASN 33 -9.542 -1.304 3.584 228 2HB ASN 33 2HB ASN 33 -10.046 -1.521 1.919 229 2HD2 ASN 33 2HD2 ASN 33 -11.568 -1.498 4.430 230 1HD2 ASN 33 1HD2 ASN 33 -12.457 -2.983 4.500 231 H ARG 34 H ARG 34 -8.166 -2.132 0.045 232 HA ARG 34 HA ARG 34 -9.670 -4.157 -1.094 233 1HB ARG 34 1HB ARG 34 -8.858 -1.846 -2.059 234 2HB ARG 34 2HB ARG 34 -7.413 -2.713 -2.540 235 1HG ARG 34 1HG ARG 34 -10.245 -3.561 -3.309 236 2HG ARG 34 2HG ARG 34 -9.198 -2.602 -4.337 237 1HD ARG 34 1HD ARG 34 -7.526 -4.717 -3.690 238 2HD ARG 34 2HD ARG 34 -9.087 -5.513 -3.716 239 HE ARG 34 HE ARG 34 -8.624 -3.753 -6.021 240 1HH1 ARG 34 1HH1 ARG 34 -8.239 -7.005 -4.732 241 2HH1 ARG 34 2HH1 ARG 34 -8.125 -7.748 -6.293 242 1HH2 ARG 34 1HH2 ARG 34 -8.473 -4.733 -8.080 243 2HH2 ARG 34 2HH2 ARG 34 -8.259 -6.447 -8.210 244 H GLY 35 H GLY 35 -6.270 -3.912 -0.109 245 1HA GLY 35 1HA GLY 35 -5.727 -6.546 -1.342 246 2HA GLY 35 2HA GLY 35 -5.336 -6.191 0.329 247 H CYS 36 H CYS 36 -3.956 -4.087 0.664 248 HA CYS 36 HA CYS 36 -1.534 -4.447 -0.546 249 1HB CYS 36 1HB CYS 36 -3.271 -3.141 -2.343 250 2HB CYS 36 2HB CYS 36 -2.195 -1.901 -1.730 251 H CYS 37 H CYS 37 -0.716 -1.603 -0.590 252 HA CYS 37 HA CYS 37 -1.368 -0.883 2.176 253 1HB CYS 37 1HB CYS 37 1.260 -1.246 0.857 254 2HB CYS 37 2HB CYS 37 1.102 0.178 1.866 255 H PHE 38 H PHE 38 -1.287 1.488 2.581 256 HA PHE 38 HA PHE 38 -1.624 3.003 0.087 257 1HB PHE 38 1HB PHE 38 -3.745 2.700 1.340 258 2HB PHE 38 2HB PHE 38 -2.962 3.119 2.851 259 HD1 PHE 38 HD1 PHE 38 -4.325 4.436 -0.283 260 HD2 PHE 38 HD2 PHE 38 -2.530 5.428 3.432 261 HE1 PHE 38 HE1 PHE 38 -4.995 6.835 -0.600 262 HE2 PHE 38 HE2 PHE 38 -3.199 7.826 3.115 263 HZ PHE 38 HZ PHE 38 -4.424 8.501 1.103 264 H ASP 39 H ASP 39 -1.454 5.523 0.661 265 HA ASP 39 HA ASP 39 0.147 6.281 2.774 266 1HB ASP 39 1HB ASP 39 2.005 5.116 1.790 267 2HB ASP 39 2HB ASP 39 1.587 5.647 0.173 268 H SER 40 H SER 40 0.280 8.617 2.775 269 HA SER 40 HA SER 40 -0.621 9.879 0.310 270 1HB SER 40 1HB SER 40 -2.043 11.412 1.611 271 2HB SER 40 2HB SER 40 -2.529 9.750 1.880 272 HG SER 40 HG SER 40 -1.421 9.759 3.905 273 H ARG 41 H ARG 41 1.996 9.414 2.029 274 HA ARG 41 HA ARG 41 2.769 11.781 3.132 275 1HB ARG 41 1HB ARG 41 3.929 9.333 2.803 276 2HB ARG 41 2HB ARG 41 4.835 10.224 1.597 277 1HG ARG 41 1HG ARG 41 4.587 11.738 4.112 278 2HG ARG 41 2HG ARG 41 5.340 10.176 4.367 279 1HD ARG 41 1HD ARG 41 7.113 10.647 2.812 280 2HD ARG 41 2HD ARG 41 6.247 11.994 2.100 281 HE ARG 41 HE ARG 41 6.711 12.419 4.938 282 1HH1 ARG 41 1HH1 ARG 41 8.242 12.598 1.775 283 2HH1 ARG 41 2HH1 ARG 41 9.395 13.796 2.259 284 1HH2 ARG 41 1HH2 ARG 41 8.232 14.000 5.577 285 2HH2 ARG 41 2HH2 ARG 41 9.389 14.599 4.437 286 H ILE 42 H ILE 42 3.414 10.539 -0.232 287 HA ILE 42 HA ILE 42 3.409 13.301 -1.154 288 HB ILE 42 HB ILE 42 5.464 12.259 -2.615 289 1HG1 ILE 42 1HG1 ILE 42 7.081 11.327 -0.986 290 2HG1 ILE 42 2HG1 ILE 42 5.821 11.273 0.231 291 1HG2 ILE 42 1HG2 ILE 42 5.191 14.520 -1.547 292 2HG2 ILE 42 2HG2 ILE 42 5.824 13.810 -0.043 293 3HG2 ILE 42 3HG2 ILE 42 6.840 13.850 -1.504 294 1HD1 ILE 42 1HD1 ILE 42 4.974 10.014 -2.298 295 2HD1 ILE 42 2HD1 ILE 42 6.414 9.242 -1.590 296 3HD1 ILE 42 3HD1 ILE 42 4.916 9.375 -0.637 297 HA PRO 43 HA PRO 43 1.086 11.377 -4.255 298 1HB PRO 43 1HB PRO 43 0.869 13.459 -6.012 299 2HB PRO 43 2HB PRO 43 -0.152 13.288 -4.598 300 1HG PRO 43 1HG PRO 43 2.116 15.133 -5.035 301 2HG PRO 43 2HG PRO 43 0.839 15.227 -3.839 302 1HD PRO 43 1HD PRO 43 3.544 14.383 -3.398 303 2HD PRO 43 2HD PRO 43 2.238 14.368 -2.230 304 H GLY 44 H GLY 44 3.999 13.078 -5.185 305 1HA GLY 44 1HA GLY 44 5.690 12.326 -6.496 306 2HA GLY 44 2HA GLY 44 4.429 12.309 -7.713 307 H VAL 45 H VAL 45 4.664 10.191 -4.798 308 HA VAL 45 HA VAL 45 5.398 7.956 -6.515 309 HB VAL 45 HB VAL 45 6.197 6.935 -4.644 310 1HG1 VAL 45 1HG1 VAL 45 7.366 9.101 -4.956 311 2HG1 VAL 45 2HG1 VAL 45 6.275 9.839 -3.759 312 3HG1 VAL 45 3HG1 VAL 45 7.391 8.543 -3.266 313 1HG2 VAL 45 1HG2 VAL 45 4.097 8.448 -3.071 314 2HG2 VAL 45 2HG2 VAL 45 4.214 6.695 -3.357 315 3HG2 VAL 45 3HG2 VAL 45 5.394 7.505 -2.298 316 HA PRO 46 HA PRO 46 1.464 6.170 -6.389 317 1HB PRO 46 1HB PRO 46 1.917 3.496 -6.056 318 2HB PRO 46 2HB PRO 46 2.123 4.319 -7.589 319 1HG PRO 46 1HG PRO 46 4.192 3.365 -5.706 320 2HG PRO 46 2HG PRO 46 4.360 3.793 -7.397 321 1HD PRO 46 1HD PRO 46 5.154 5.375 -5.140 322 2HD PRO 46 2HD PRO 46 5.215 5.849 -6.826 323 H TRP 47 H TRP 47 0.566 7.275 -4.622 324 HA TRP 47 HA TRP 47 0.854 6.923 -2.052 325 1HB TRP 47 1HB TRP 47 -1.603 7.206 -3.711 326 2HB TRP 47 2HB TRP 47 -1.809 6.855 -2.006 327 HD1 TRP 47 HD1 TRP 47 1.117 9.117 -3.054 328 HE1 TRP 47 HE1 TRP 47 0.759 11.599 -2.231 329 HE3 TRP 47 HE3 TRP 47 -3.669 8.456 -1.466 330 HZ2 TRP 47 HZ2 TRP 47 -1.437 12.976 -1.035 331 HZ3 TRP 47 HZ3 TRP 47 -4.848 10.420 -0.483 332 HH2 TRP 47 HH2 TRP 47 -3.809 12.621 -0.256 333 H CYS 48 H CYS 48 -1.141 4.648 -4.078 334 HA CYS 48 HA CYS 48 -1.077 2.746 -1.897 335 1HB CYS 48 1HB CYS 48 -3.117 3.350 -3.394 336 2HB CYS 48 2HB CYS 48 -2.377 2.277 -4.566 337 H PHE 49 H PHE 49 0.560 1.248 -1.791 338 HA PHE 49 HA PHE 49 1.634 0.241 -4.304 339 1HB PHE 49 1HB PHE 49 3.953 0.502 -3.148 340 2HB PHE 49 2HB PHE 49 3.213 1.993 -3.696 341 HD1 PHE 49 HD1 PHE 49 3.495 -0.154 -0.663 342 HD2 PHE 49 HD2 PHE 49 2.977 3.762 -2.212 343 HE1 PHE 49 HE1 PHE 49 3.674 0.787 1.657 344 HE2 PHE 49 HE2 PHE 49 3.156 4.703 0.108 345 HZ PHE 49 HZ PHE 49 3.503 3.204 2.015 346 H LYS 50 H LYS 50 3.161 -1.699 -3.835 347 HA LYS 50 HA LYS 50 1.731 -3.447 -2.088 348 1HB LYS 50 1HB LYS 50 4.204 -3.861 -3.793 349 2HB LYS 50 2HB LYS 50 3.369 -5.130 -2.921 350 1HG LYS 50 1HG LYS 50 1.251 -3.998 -4.250 351 2HG LYS 50 2HG LYS 50 2.539 -3.656 -5.389 352 1HD LYS 50 1HD LYS 50 3.010 -6.329 -4.625 353 2HD LYS 50 2HD LYS 50 1.264 -6.228 -4.734 354 1HE LYS 50 1HE LYS 50 2.137 -4.826 -7.011 355 2HE LYS 50 2HE LYS 50 3.279 -6.150 -6.889 356 1HZ LYS 50 1HZ LYS 50 1.216 -7.564 -6.558 357 2HZ LYS 50 2HZ LYS 50 0.374 -6.295 -7.148 358 3HZ LYS 50 3HZ LYS 50 1.519 -7.013 -8.066 359 HA PRO 51 HA PRO 51 4.297 -3.245 1.376 360 1HB PRO 51 1HB PRO 51 4.414 -5.821 2.281 361 2HB PRO 51 2HB PRO 51 3.035 -4.774 2.547 362 1HG PRO 51 1HG PRO 51 3.314 -7.024 0.651 363 2HG PRO 51 2HG PRO 51 1.852 -6.254 1.233 364 1HD PRO 51 1HD PRO 51 3.080 -5.889 -1.334 365 2HD PRO 51 2HD PRO 51 1.684 -5.033 -0.708 366 H LEU 52 H LEU 52 6.372 -2.747 1.677 367 HA LEU 52 HA LEU 52 8.318 -3.239 -0.028 368 1HB LEU 52 1HB LEU 52 8.625 -1.850 1.886 369 2HB LEU 52 2HB LEU 52 8.475 -3.208 2.983 370 HG LEU 52 HG LEU 52 10.733 -2.855 0.993 371 1HD1 LEU 52 1HD1 LEU 52 10.310 -1.759 3.689 372 2HD1 LEU 52 2HD1 LEU 52 11.859 -2.610 3.475 373 3HD1 LEU 52 3HD1 LEU 52 11.431 -1.257 2.399 374 1HD2 LEU 52 1HD2 LEU 52 9.911 -5.051 2.752 375 2HD2 LEU 52 2HD2 LEU 52 11.018 -5.040 1.359 376 3HD2 LEU 52 3HD2 LEU 52 11.608 -4.557 2.967 377 H GLN 53 H GLN 53 9.712 -4.857 -0.700 378 HA GLN 53 HA GLN 53 8.814 -7.464 -0.343 379 1HB GLN 53 1HB GLN 53 11.005 -6.081 -1.774 380 2HB GLN 53 2HB GLN 53 11.419 -7.713 -1.290 381 1HG GLN 53 1HG GLN 53 10.337 -7.585 -3.566 382 2HG GLN 53 2HG GLN 53 9.491 -8.640 -2.451 383 2HE2 GLN 53 2HE2 GLN 53 9.575 -5.096 -2.651 384 1HE2 GLN 53 1HE2 GLN 53 7.882 -4.845 -2.918 385 H GLU 54 H GLU 54 8.747 -7.510 2.084 386 HA GLU 54 HA GLU 54 10.757 -7.180 3.778 387 1HB GLU 54 1HB GLU 54 9.598 -8.579 5.278 388 2HB GLU 54 2HB GLU 54 8.346 -8.080 4.158 389 1HG GLU 54 1HG GLU 54 9.900 -10.708 4.025 390 2HG GLU 54 2HG GLU 54 8.252 -10.529 4.593 391 H ALA 55 H ALA 55 12.780 -8.008 4.161 392 HA ALA 55 HA ALA 55 13.407 -10.717 3.569 393 1HB ALA 55 1HB ALA 55 14.325 -10.548 1.522 394 2HB ALA 55 2HB ALA 55 13.605 -8.924 1.408 395 3HB ALA 55 3HB ALA 55 15.272 -9.119 2.003 396 H GLU 56 H GLU 56 13.561 -9.939 5.988 397 HA GLU 56 HA GLU 56 14.780 -9.463 7.722 398 1HB GLU 56 1HB GLU 56 16.899 -10.427 5.787 399 2HB GLU 56 2HB GLU 56 17.369 -9.876 7.383 400 1HG GLU 56 1HG GLU 56 15.338 -11.499 8.130 401 2HG GLU 56 2HG GLU 56 15.725 -12.278 6.608 402 H CYS 57 H CYS 57 14.189 -7.203 7.757 403 HA CYS 57 HA CYS 57 16.471 -5.497 7.155 404 1HB CYS 57 1HB CYS 57 13.719 -5.238 6.035 405 2HB CYS 57 2HB CYS 57 14.547 -3.769 6.514 406 H THR 58 H THR 58 16.233 -3.349 8.389 407 HA THR 58 HA THR 58 15.034 -3.933 10.989 408 HB THR 58 HB THR 58 17.080 -1.889 9.982 409 HG1 THR 58 HG1 THR 58 18.134 -3.836 10.310 410 1HG2 THR 58 1HG2 THR 58 16.085 -2.486 12.819 411 2HG2 THR 58 2HG2 THR 58 17.490 -1.469 12.418 412 3HG2 THR 58 3HG2 THR 58 15.854 -0.953 11.944 413 H PHE 59 H PHE 59 13.771 -2.333 12.138 414 HA PHE 59 HA PHE 59 11.572 -1.503 10.883 415 1HB PHE 59 1HB PHE 59 13.217 -0.648 13.250 416 2HB PHE 59 2HB PHE 59 12.044 0.547 12.731 417 HD1 PHE 59 HD1 PHE 59 9.599 -0.337 12.400 418 HD2 PHE 59 HD2 PHE 59 12.555 -2.326 14.706 419 HE1 PHE 59 HE1 PHE 59 7.800 -1.560 13.651 420 HE2 PHE 59 HE2 PHE 59 10.755 -3.549 15.957 421 HZ PHE 59 HZ PHE 59 8.399 -3.152 15.415 No H/Q in entry = 421 Start of MODEL 78 1 H GLU 1 H GLU 1 11.075 -10.719 23.109 2 HA GLU 1 HA GLU 1 10.279 -12.690 21.984 3 1HB GLU 1 1HB GLU 1 8.847 -11.842 24.528 4 2HB GLU 1 2HB GLU 1 8.655 -13.448 23.856 5 1HG GLU 1 1HG GLU 1 11.068 -13.876 24.026 6 2HG GLU 1 2HG GLU 1 11.373 -12.218 24.506 7 H GLU 2 H GLU 2 9.202 -10.880 20.223 8 HA GLU 2 HA GLU 2 6.822 -12.120 19.531 9 1HB GLU 2 1HB GLU 2 5.204 -10.288 19.826 10 2HB GLU 2 2HB GLU 2 5.851 -10.784 21.377 11 1HG GLU 2 1HG GLU 2 7.007 -8.802 21.695 12 2HG GLU 2 2HG GLU 2 7.365 -8.607 19.990 13 H TYR 3 H TYR 3 5.639 -10.431 17.763 14 HA TYR 3 HA TYR 3 7.636 -8.859 16.397 15 1HB TYR 3 1HB TYR 3 7.738 -10.322 14.480 16 2HB TYR 3 2HB TYR 3 7.787 -11.448 15.822 17 HD1 TYR 3 HD1 TYR 3 5.533 -12.493 16.578 18 HD2 TYR 3 HD2 TYR 3 6.083 -10.518 12.823 19 HE1 TYR 3 HE1 TYR 3 3.488 -13.681 15.645 20 HE2 TYR 3 HE2 TYR 3 4.036 -11.712 11.903 21 HH TYR 3 HH TYR 3 2.875 -14.172 12.708 22 H VAL 4 H VAL 4 6.657 -7.882 14.331 23 HA VAL 4 HA VAL 4 3.907 -7.990 13.879 24 HB VAL 4 HB VAL 4 3.801 -6.981 16.121 25 1HG1 VAL 4 1HG1 VAL 4 6.067 -5.656 15.535 26 2HG1 VAL 4 2HG1 VAL 4 4.885 -4.381 15.153 27 3HG1 VAL 4 3HG1 VAL 4 4.917 -5.108 16.778 28 1HG2 VAL 4 1HG2 VAL 4 2.346 -6.329 13.942 29 2HG2 VAL 4 2HG2 VAL 4 2.041 -5.657 15.562 30 3HG2 VAL 4 3HG2 VAL 4 2.977 -4.721 14.373 31 H GLY 5 H GLY 5 3.977 -7.645 11.724 32 1HA GLY 5 1HA GLY 5 5.646 -6.947 9.979 33 2HA GLY 5 2HA GLY 5 5.625 -5.383 10.771 34 H LEU 6 H LEU 6 2.540 -6.501 11.263 35 HA LEU 6 HA LEU 6 1.535 -5.851 8.621 36 1HB LEU 6 1HB LEU 6 -0.538 -6.684 9.372 37 2HB LEU 6 2HB LEU 6 0.705 -7.799 9.904 38 HG LEU 6 HG LEU 6 0.240 -5.886 11.995 39 1HD1 LEU 6 1HD1 LEU 6 -1.945 -5.514 10.953 40 2HD1 LEU 6 2HD1 LEU 6 -2.273 -7.263 11.007 41 3HD1 LEU 6 3HD1 LEU 6 -2.099 -6.343 12.521 42 1HD2 LEU 6 1HD2 LEU 6 1.043 -8.397 11.912 43 2HD2 LEU 6 2HD2 LEU 6 0.202 -7.740 13.337 44 3HD2 LEU 6 3HD2 LEU 6 -0.690 -8.724 12.152 45 H SER 7 H SER 7 2.837 -3.655 9.432 46 HA SER 7 HA SER 7 1.007 -1.692 9.301 47 1HB SER 7 1HB SER 7 1.125 -0.767 11.717 48 2HB SER 7 2HB SER 7 0.026 -2.097 11.413 49 HG SER 7 HG SER 7 1.857 -3.535 12.135 50 H ALA 8 H ALA 8 2.429 -0.386 8.196 51 HA ALA 8 HA ALA 8 4.076 1.115 7.978 52 1HB ALA 8 1HB ALA 8 5.103 1.961 9.821 53 2HB ALA 8 2HB ALA 8 5.642 0.360 10.380 54 3HB ALA 8 3HB ALA 8 3.980 0.904 10.710 55 H ASN 9 H ASN 9 5.735 -1.545 9.811 56 HA ASN 9 HA ASN 9 7.922 -1.754 8.354 57 1HB ASN 9 1HB ASN 9 7.279 -3.199 10.337 58 2HB ASN 9 2HB ASN 9 6.261 -4.157 9.281 59 2HD2 ASN 9 2HD2 ASN 9 9.406 -3.551 10.438 60 1HD2 ASN 9 1HD2 ASN 9 10.284 -4.718 9.506 61 H GLN 10 H GLN 10 4.623 -2.686 7.420 62 HA GLN 10 HA GLN 10 5.534 -4.184 5.152 63 1HB GLN 10 1HB GLN 10 3.324 -4.423 6.690 64 2HB GLN 10 2HB GLN 10 2.660 -3.367 5.459 65 1HG GLN 10 1HG GLN 10 2.344 -5.218 4.182 66 2HG GLN 10 2HG GLN 10 4.083 -5.271 3.965 67 2HE2 GLN 10 2HE2 GLN 10 1.359 -6.443 5.826 68 1HE2 GLN 10 1HE2 GLN 10 2.110 -7.851 6.501 69 H CYS 11 H CYS 11 3.956 -1.023 5.884 70 HA CYS 11 HA CYS 11 4.362 -0.309 3.073 71 1HB CYS 11 1HB CYS 11 2.643 1.344 4.859 72 2HB CYS 11 2HB CYS 11 2.531 1.061 3.134 73 H ALA 12 H ALA 12 6.648 -0.363 4.632 74 HA ALA 12 HA ALA 12 7.016 2.442 5.430 75 1HB ALA 12 1HB ALA 12 9.091 1.288 6.598 76 2HB ALA 12 2HB ALA 12 7.478 1.211 7.348 77 3HB ALA 12 3HB ALA 12 8.101 -0.182 6.432 78 H VAL 13 H VAL 13 6.988 2.014 2.719 79 HA VAL 13 HA VAL 13 9.696 1.448 1.869 80 HB VAL 13 HB VAL 13 7.706 2.515 -0.033 81 1HG1 VAL 13 1HG1 VAL 13 9.930 0.584 0.056 82 2HG1 VAL 13 2HG1 VAL 13 8.548 0.062 -0.936 83 3HG1 VAL 13 3HG1 VAL 13 9.353 1.613 -1.276 84 1HG2 VAL 13 1HG2 VAL 13 7.150 0.122 1.688 85 2HG2 VAL 13 2HG2 VAL 13 6.034 1.351 1.045 86 3HG2 VAL 13 3HG2 VAL 13 6.676 0.084 -0.028 87 HA PRO 14 HA PRO 14 10.905 5.597 1.803 88 1HB PRO 14 1HB PRO 14 12.941 5.527 -0.018 89 2HB PRO 14 2HB PRO 14 13.129 5.021 1.649 90 1HG PRO 14 1HG PRO 14 12.918 3.352 -0.781 91 2HG PRO 14 2HG PRO 14 13.521 2.912 0.804 92 1HD PRO 14 1HD PRO 14 10.968 2.230 -0.311 93 2HD PRO 14 2HD PRO 14 11.526 1.890 1.315 94 H ALA 15 H ALA 15 9.141 4.254 -0.551 95 HA ALA 15 HA ALA 15 7.711 5.335 -1.921 96 1HB ALA 15 1HB ALA 15 9.304 7.842 -2.162 97 2HB ALA 15 2HB ALA 15 7.551 7.615 -1.953 98 3HB ALA 15 3HB ALA 15 8.638 7.485 -0.550 99 H LYS 16 H LYS 16 11.209 5.233 -2.197 100 HA LYS 16 HA LYS 16 11.074 5.440 -5.094 101 1HB LYS 16 1HB LYS 16 13.511 5.433 -4.990 102 2HB LYS 16 2HB LYS 16 12.841 6.661 -3.935 103 1HG LYS 16 1HG LYS 16 14.291 5.731 -2.407 104 2HG LYS 16 2HG LYS 16 12.962 4.619 -2.148 105 1HD LYS 16 1HD LYS 16 14.977 3.299 -2.469 106 2HD LYS 16 2HD LYS 16 13.963 3.074 -3.880 107 1HE LYS 16 1HE LYS 16 15.477 5.300 -4.604 108 2HE LYS 16 2HE LYS 16 16.624 4.371 -3.659 109 1HZ LYS 16 1HZ LYS 16 15.013 3.164 -5.791 110 2HZ LYS 16 2HZ LYS 16 16.487 3.813 -6.061 111 3HZ LYS 16 3HZ LYS 16 16.329 2.534 -5.057 112 H ASP 17 H ASP 17 10.099 3.157 -3.067 113 HA ASP 17 HA ASP 17 11.201 1.062 -4.758 114 1HB ASP 17 1HB ASP 17 11.583 1.379 -1.936 115 2HB ASP 17 2HB ASP 17 10.460 0.049 -2.132 116 H ARG 18 H ARG 18 8.613 2.811 -4.454 117 HA ARG 18 HA ARG 18 6.651 1.004 -3.547 118 1HB ARG 18 1HB ARG 18 6.229 3.444 -5.338 119 2HB ARG 18 2HB ARG 18 5.052 2.710 -4.266 120 1HG ARG 18 1HG ARG 18 7.659 4.007 -3.338 121 2HG ARG 18 2HG ARG 18 6.098 4.803 -3.323 122 1HD ARG 18 1HD ARG 18 5.298 2.734 -1.905 123 2HD ARG 18 2HD ARG 18 7.005 2.422 -1.665 124 HE ARG 18 HE ARG 18 7.022 4.162 -0.120 125 1HH1 ARG 18 1HH1 ARG 18 4.444 4.766 -2.437 126 2HH1 ARG 18 2HH1 ARG 18 3.899 6.209 -1.648 127 1HH2 ARG 18 1HH2 ARG 18 6.304 6.065 0.921 128 2HH2 ARG 18 2HH2 ARG 18 4.965 6.952 0.275 129 H VAL 19 H VAL 19 5.888 -0.749 -4.686 130 HA VAL 19 HA VAL 19 6.576 -1.052 -7.441 131 HB VAL 19 HB VAL 19 4.774 -2.730 -5.688 132 1HG1 VAL 19 1HG1 VAL 19 5.905 -3.027 -8.417 133 2HG1 VAL 19 2HG1 VAL 19 5.996 -4.465 -7.372 134 3HG1 VAL 19 3HG1 VAL 19 4.421 -3.705 -7.705 135 1HG2 VAL 19 1HG2 VAL 19 7.438 -2.157 -5.194 136 2HG2 VAL 19 2HG2 VAL 19 6.546 -3.580 -4.605 137 3HG2 VAL 19 3HG2 VAL 19 7.513 -3.690 -6.095 138 H ASP 20 H ASP 20 4.127 0.622 -5.767 139 HA ASP 20 HA ASP 20 2.273 1.570 -6.367 140 1HB ASP 20 1HB ASP 20 3.656 2.313 -8.336 141 2HB ASP 20 2HB ASP 20 3.118 0.904 -9.228 142 H CYS 21 H CYS 21 0.388 0.443 -5.857 143 HA CYS 21 HA CYS 21 -0.036 -2.178 -6.862 144 1HB CYS 21 1HB CYS 21 -0.825 -0.837 -4.628 145 2HB CYS 21 2HB CYS 21 -2.292 -0.764 -5.584 146 H GLY 22 H GLY 22 -0.669 1.072 -7.926 147 1HA GLY 22 1HA GLY 22 -1.779 0.273 -10.376 148 2HA GLY 22 2HA GLY 22 -1.730 1.900 -9.725 149 H TYR 23 H TYR 23 -3.404 2.399 -7.926 150 HA TYR 23 HA TYR 23 -5.950 1.259 -8.805 151 1HB TYR 23 1HB TYR 23 -4.608 0.540 -6.452 152 2HB TYR 23 2HB TYR 23 -5.551 1.906 -5.889 153 HD1 TYR 23 HD1 TYR 23 -6.360 -0.842 -8.318 154 HD2 TYR 23 HD2 TYR 23 -7.332 1.101 -4.633 155 HE1 TYR 23 HE1 TYR 23 -8.392 -2.346 -8.053 156 HE2 TYR 23 HE2 TYR 23 -9.361 -0.410 -4.380 157 HH TYR 23 HH TYR 23 -10.823 -1.703 -5.761 158 HA PRO 24 HA PRO 24 -7.071 5.441 -8.649 159 1HB PRO 24 1HB PRO 24 -9.786 5.214 -8.865 160 2HB PRO 24 2HB PRO 24 -8.705 5.130 -10.242 161 1HG PRO 24 1HG PRO 24 -10.145 2.936 -8.880 162 2HG PRO 24 2HG PRO 24 -9.419 2.949 -10.475 163 1HD PRO 24 1HD PRO 24 -8.354 1.716 -8.114 164 2HD PRO 24 2HD PRO 24 -7.575 1.829 -9.680 165 H HIS 25 H HIS 25 -9.791 3.964 -6.980 166 HA HIS 25 HA HIS 25 -9.703 5.977 -5.009 167 1HB HIS 25 1HB HIS 25 -11.718 5.182 -4.412 168 2HB HIS 25 2HB HIS 25 -11.612 4.314 -5.930 169 HD1 HIS 25 HD1 HIS 25 -12.484 3.717 -2.554 170 HD2 HIS 25 HD2 HIS 25 -10.182 1.610 -5.357 171 HE1 HIS 25 HE1 HIS 25 -12.387 1.304 -1.730 172 HE2 HIS 25 HE2 HIS 25 -11.006 0.047 -3.521 173 H VAL 26 H VAL 26 -7.793 6.084 -3.846 174 HA VAL 26 HA VAL 26 -7.151 3.657 -2.319 175 HB VAL 26 HB VAL 26 -4.781 4.472 -2.401 176 1HG1 VAL 26 1HG1 VAL 26 -6.288 3.452 -4.790 177 2HG1 VAL 26 2HG1 VAL 26 -4.551 3.810 -4.938 178 3HG1 VAL 26 3HG1 VAL 26 -5.116 2.620 -3.741 179 1HG2 VAL 26 1HG2 VAL 26 -5.931 6.750 -3.558 180 2HG2 VAL 26 2HG2 VAL 26 -4.197 6.380 -3.406 181 3HG2 VAL 26 3HG2 VAL 26 -5.073 5.941 -4.892 182 H THR 27 H THR 27 -7.124 3.914 -0.130 183 HA THR 27 HA THR 27 -6.878 6.647 0.904 184 HB THR 27 HB THR 27 -8.898 6.442 2.172 185 HG1 THR 27 HG1 THR 27 -8.483 3.649 1.408 186 1HG2 THR 27 1HG2 THR 27 -9.382 6.598 -0.339 187 2HG2 THR 27 2HG2 THR 27 -9.532 4.824 -0.348 188 3HG2 THR 27 3HG2 THR 27 -10.666 5.808 0.607 189 HA PRO 28 HA PRO 28 -4.504 4.859 4.004 190 1HB PRO 28 1HB PRO 28 -5.225 6.133 6.311 191 2HB PRO 28 2HB PRO 28 -4.179 6.855 5.104 192 1HG PRO 28 1HG PRO 28 -7.021 7.434 5.681 193 2HG PRO 28 2HG PRO 28 -5.859 8.406 4.800 194 1HD PRO 28 1HD PRO 28 -7.957 6.804 3.678 195 2HD PRO 28 2HD PRO 28 -6.724 7.684 2.796 196 H LYS 29 H LYS 29 -6.834 3.343 3.313 197 HA LYS 29 HA LYS 29 -6.657 1.418 5.300 198 1HB LYS 29 1HB LYS 29 -7.966 3.336 6.496 199 2HB LYS 29 2HB LYS 29 -9.322 2.799 5.527 200 1HG LYS 29 1HG LYS 29 -7.810 0.601 6.858 201 2HG LYS 29 2HG LYS 29 -8.604 1.707 7.961 202 1HD LYS 29 1HD LYS 29 -10.028 0.394 5.602 203 2HD LYS 29 2HD LYS 29 -10.014 -0.292 7.214 204 1HE LYS 29 1HE LYS 29 -11.032 1.842 8.099 205 2HE LYS 29 2HE LYS 29 -11.102 2.464 6.463 206 1HZ LYS 29 1HZ LYS 29 -12.250 -0.130 6.745 207 2HZ LYS 29 2HZ LYS 29 -13.013 1.011 7.630 208 3HZ LYS 29 3HZ LYS 29 -12.853 1.201 6.016 209 H GLU 30 H GLU 30 -8.928 3.014 2.974 210 HA GLU 30 HA GLU 30 -10.089 0.602 2.185 211 1HB GLU 30 1HB GLU 30 -10.744 3.191 1.833 212 2HB GLU 30 2HB GLU 30 -9.961 2.933 0.287 213 1HG GLU 30 1HG GLU 30 -12.255 2.387 -0.094 214 2HG GLU 30 2HG GLU 30 -11.441 0.840 0.020 215 H CYS 31 H CYS 31 -7.092 2.253 1.338 216 HA CYS 31 HA CYS 31 -6.771 0.789 -1.110 217 1HB CYS 31 1HB CYS 31 -5.767 2.823 -1.323 218 2HB CYS 31 2HB CYS 31 -5.270 2.896 0.355 219 H ASN 32 H ASN 32 -5.807 0.661 2.331 220 HA ASN 32 HA ASN 32 -3.992 -1.501 1.800 221 1HB ASN 32 1HB ASN 32 -3.339 -1.284 4.103 222 2HB ASN 32 2HB ASN 32 -3.639 0.359 3.573 223 2HD2 ASN 32 2HD2 ASN 32 -3.860 0.745 5.872 224 1HD2 ASN 32 1HD2 ASN 32 -5.387 0.503 6.653 225 H ASN 33 H ASN 33 -7.264 -1.238 1.842 226 HA ASN 33 HA ASN 33 -7.685 -3.579 3.510 227 1HB ASN 33 1HB ASN 33 -9.162 -1.651 4.001 228 2HB ASN 33 2HB ASN 33 -9.638 -1.542 2.319 229 2HD2 ASN 33 2HD2 ASN 33 -10.549 -2.588 5.275 230 1HD2 ASN 33 1HD2 ASN 33 -11.685 -3.831 4.870 231 H ARG 34 H ARG 34 -8.055 -2.141 0.235 232 HA ARG 34 HA ARG 34 -9.566 -4.146 -0.889 233 1HB ARG 34 1HB ARG 34 -8.764 -1.779 -1.795 234 2HB ARG 34 2HB ARG 34 -7.418 -2.681 -2.461 235 1HG ARG 34 1HG ARG 34 -10.344 -3.402 -2.958 236 2HG ARG 34 2HG ARG 34 -9.395 -2.402 -4.040 237 1HD ARG 34 1HD ARG 34 -7.693 -4.533 -3.788 238 2HD ARG 34 2HD ARG 34 -9.222 -5.353 -3.537 239 HE ARG 34 HE ARG 34 -8.323 -4.028 -6.021 240 1HH1 ARG 34 1HH1 ARG 34 -10.996 -5.492 -4.262 241 2HH1 ARG 34 2HH1 ARG 34 -11.940 -5.784 -5.685 242 1HH2 ARG 34 1HH2 ARG 34 -9.567 -4.412 -7.898 243 2HH2 ARG 34 2HH2 ARG 34 -11.122 -5.165 -7.767 244 H GLY 35 H GLY 35 -6.135 -3.949 -0.051 245 1HA GLY 35 1HA GLY 35 -5.646 -6.511 -1.447 246 2HA GLY 35 2HA GLY 35 -5.169 -6.231 0.216 247 H CYS 36 H CYS 36 -3.758 -4.169 0.587 248 HA CYS 36 HA CYS 36 -1.403 -4.452 -0.735 249 1HB CYS 36 1HB CYS 36 -3.194 -3.176 -2.468 250 2HB CYS 36 2HB CYS 36 -2.185 -1.887 -1.843 251 H CYS 37 H CYS 37 -0.659 -1.564 -0.774 252 HA CYS 37 HA CYS 37 -1.197 -0.910 2.031 253 1HB CYS 37 1HB CYS 37 1.395 -1.170 0.597 254 2HB CYS 37 2HB CYS 37 1.236 0.173 1.711 255 H PHE 38 H PHE 38 -1.113 1.458 2.470 256 HA PHE 38 HA PHE 38 -1.549 3.008 0.013 257 1HB PHE 38 1HB PHE 38 -3.625 2.657 1.334 258 2HB PHE 38 2HB PHE 38 -2.798 3.076 2.821 259 HD1 PHE 38 HD1 PHE 38 -4.246 4.403 -0.279 260 HD2 PHE 38 HD2 PHE 38 -2.417 5.379 3.424 261 HE1 PHE 38 HE1 PHE 38 -4.959 6.794 -0.556 262 HE2 PHE 38 HE2 PHE 38 -3.130 7.769 3.147 263 HZ PHE 38 HZ PHE 38 -4.393 8.448 1.160 264 H ASP 39 H ASP 39 -1.417 5.530 0.671 265 HA ASP 39 HA ASP 39 0.250 6.265 2.730 266 1HB ASP 39 1HB ASP 39 2.092 5.138 1.674 267 2HB ASP 39 2HB ASP 39 1.621 5.691 0.079 268 H SER 40 H SER 40 0.372 8.604 2.762 269 HA SER 40 HA SER 40 -0.594 9.902 0.344 270 1HB SER 40 1HB SER 40 -2.030 11.382 1.692 271 2HB SER 40 2HB SER 40 -2.487 9.706 1.925 272 HG SER 40 HG SER 40 -0.558 10.427 3.761 273 H ARG 41 H ARG 41 2.042 9.442 2.041 274 HA ARG 41 HA ARG 41 2.764 11.837 3.156 275 1HB ARG 41 1HB ARG 41 3.946 9.411 2.960 276 2HB ARG 41 2HB ARG 41 4.839 10.211 1.682 277 1HG ARG 41 1HG ARG 41 4.777 12.051 3.869 278 2HG ARG 41 2HG ARG 41 5.139 10.484 4.566 279 1HD ARG 41 1HD ARG 41 6.847 10.310 2.510 280 2HD ARG 41 2HD ARG 41 6.717 12.057 2.519 281 HE ARG 41 HE ARG 41 8.117 10.436 4.464 282 1HH1 ARG 41 1HH1 ARG 41 6.241 13.396 4.146 283 2HH1 ARG 41 2HH1 ARG 41 6.977 14.161 5.515 284 1HH2 ARG 41 1HH2 ARG 41 9.088 11.444 6.270 285 2HH2 ARG 41 2HH2 ARG 41 8.607 13.043 6.731 286 H ILE 42 H ILE 42 3.397 10.544 -0.187 287 HA ILE 42 HA ILE 42 3.460 13.295 -1.139 288 HB ILE 42 HB ILE 42 5.487 12.177 -2.591 289 1HG1 ILE 42 1HG1 ILE 42 7.088 11.252 -0.937 290 2HG1 ILE 42 2HG1 ILE 42 5.822 11.244 0.275 291 1HG2 ILE 42 1HG2 ILE 42 5.301 14.466 -1.625 292 2HG2 ILE 42 2HG2 ILE 42 5.828 13.803 -0.059 293 3HG2 ILE 42 3HG2 ILE 42 6.919 13.740 -1.464 294 1HD1 ILE 42 1HD1 ILE 42 4.977 9.950 -2.240 295 2HD1 ILE 42 2HD1 ILE 42 6.386 9.164 -1.489 296 3HD1 ILE 42 3HD1 ILE 42 4.875 9.353 -0.566 297 HA PRO 43 HA PRO 43 1.066 11.366 -4.187 298 1HB PRO 43 1HB PRO 43 0.798 13.462 -5.920 299 2HB PRO 43 2HB PRO 43 -0.195 13.269 -4.489 300 1HG PRO 43 1HG PRO 43 2.049 15.138 -4.950 301 2HG PRO 43 2HG PRO 43 0.794 15.209 -3.729 302 1HD PRO 43 1HD PRO 43 3.514 14.385 -3.348 303 2HD PRO 43 2HD PRO 43 2.230 14.346 -2.155 304 H GLY 44 H GLY 44 3.973 13.064 -5.116 305 1HA GLY 44 1HA GLY 44 5.647 12.313 -6.455 306 2HA GLY 44 2HA GLY 44 4.381 12.371 -7.665 307 H VAL 45 H VAL 45 4.820 10.152 -4.826 308 HA VAL 45 HA VAL 45 5.398 7.968 -6.642 309 HB VAL 45 HB VAL 45 6.222 6.866 -4.826 310 1HG1 VAL 45 1HG1 VAL 45 7.122 9.348 -5.113 311 2HG1 VAL 45 2HG1 VAL 45 6.458 9.526 -3.471 312 3HG1 VAL 45 3HG1 VAL 45 7.700 8.293 -3.800 313 1HG2 VAL 45 1HG2 VAL 45 4.224 8.383 -3.123 314 2HG2 VAL 45 2HG2 VAL 45 4.237 6.646 -3.511 315 3HG2 VAL 45 3HG2 VAL 45 5.493 7.331 -2.452 316 HA PRO 46 HA PRO 46 1.455 6.200 -6.465 317 1HB PRO 46 1HB PRO 46 1.881 3.519 -6.156 318 2HB PRO 46 2HB PRO 46 2.078 4.350 -7.686 319 1HG PRO 46 1HG PRO 46 4.158 3.359 -5.834 320 2HG PRO 46 2HG PRO 46 4.311 3.796 -7.524 321 1HD PRO 46 1HD PRO 46 5.151 5.353 -5.266 322 2HD PRO 46 2HD PRO 46 5.197 5.839 -6.950 323 H TRP 47 H TRP 47 0.526 7.263 -4.710 324 HA TRP 47 HA TRP 47 0.856 6.914 -2.135 325 1HB TRP 47 1HB TRP 47 -1.602 7.225 -3.780 326 2HB TRP 47 2HB TRP 47 -1.818 6.831 -2.086 327 HD1 TRP 47 HD1 TRP 47 1.121 9.112 -3.043 328 HE1 TRP 47 HE1 TRP 47 0.758 11.574 -2.166 329 HE3 TRP 47 HE3 TRP 47 -3.687 8.427 -1.539 330 HZ2 TRP 47 HZ2 TRP 47 -1.450 12.928 -0.968 331 HZ3 TRP 47 HZ3 TRP 47 -4.875 10.370 -0.525 332 HH2 TRP 47 HH2 TRP 47 -3.834 12.561 -0.231 333 H CYS 48 H CYS 48 -1.178 4.653 -4.141 334 HA CYS 48 HA CYS 48 -1.078 2.739 -1.973 335 1HB CYS 48 1HB CYS 48 -3.138 3.364 -3.448 336 2HB CYS 48 2HB CYS 48 -2.425 2.269 -4.615 337 H PHE 49 H PHE 49 0.649 1.345 -1.891 338 HA PHE 49 HA PHE 49 1.659 0.334 -4.440 339 1HB PHE 49 1HB PHE 49 3.979 0.545 -3.254 340 2HB PHE 49 2HB PHE 49 3.260 2.045 -3.803 341 HD1 PHE 49 HD1 PHE 49 3.498 -0.118 -0.779 342 HD2 PHE 49 HD2 PHE 49 3.011 3.809 -2.313 343 HE1 PHE 49 HE1 PHE 49 3.660 0.811 1.547 344 HE2 PHE 49 HE2 PHE 49 3.173 4.737 0.014 345 HZ PHE 49 HZ PHE 49 3.495 3.227 1.916 346 H LYS 50 H LYS 50 3.124 -1.646 -4.062 347 HA LYS 50 HA LYS 50 1.694 -3.467 -2.446 348 1HB LYS 50 1HB LYS 50 4.306 -3.708 -3.965 349 2HB LYS 50 2HB LYS 50 3.507 -5.048 -3.166 350 1HG LYS 50 1HG LYS 50 1.393 -4.091 -4.588 351 2HG LYS 50 2HG LYS 50 2.688 -3.541 -5.632 352 1HD LYS 50 1HD LYS 50 3.408 -6.194 -4.964 353 2HD LYS 50 2HD LYS 50 1.674 -6.265 -5.209 354 1HE LYS 50 1HE LYS 50 2.586 -4.642 -7.328 355 2HE LYS 50 2HE LYS 50 3.820 -5.878 -7.187 356 1HZ LYS 50 1HZ LYS 50 1.141 -6.866 -7.011 357 2HZ LYS 50 2HZ LYS 50 1.511 -6.201 -8.456 358 3HZ LYS 50 3HZ LYS 50 2.408 -7.434 -7.871 359 HA PRO 51 HA PRO 51 3.915 -3.298 1.250 360 1HB PRO 51 1HB PRO 51 4.002 -5.897 2.093 361 2HB PRO 51 2HB PRO 51 2.582 -4.883 2.256 362 1HG PRO 51 1HG PRO 51 3.084 -7.073 0.336 363 2HG PRO 51 2HG PRO 51 1.558 -6.347 0.798 364 1HD PRO 51 1HD PRO 51 3.012 -5.886 -1.631 365 2HD PRO 51 2HD PRO 51 1.547 -5.075 -1.117 366 H LEU 52 H LEU 52 5.942 -2.741 1.711 367 HA LEU 52 HA LEU 52 8.040 -3.215 0.171 368 1HB LEU 52 1HB LEU 52 8.228 -1.752 2.001 369 2HB LEU 52 2HB LEU 52 7.869 -3.011 3.166 370 HG LEU 52 HG LEU 52 10.382 -2.945 1.475 371 1HD1 LEU 52 1HD1 LEU 52 10.009 -1.006 3.147 372 2HD1 LEU 52 2HD1 LEU 52 10.293 -2.240 4.399 373 3HD1 LEU 52 3HD1 LEU 52 11.550 -1.896 3.186 374 1HD2 LEU 52 1HD2 LEU 52 9.212 -4.912 3.261 375 2HD2 LEU 52 2HD2 LEU 52 10.608 -5.046 2.165 376 3HD2 LEU 52 3HD2 LEU 52 10.827 -4.403 3.811 377 H GLN 53 H GLN 53 9.337 -4.867 -0.494 378 HA GLN 53 HA GLN 53 8.531 -7.465 0.018 379 1HB GLN 53 1HB GLN 53 10.851 -7.995 -1.060 380 2HB GLN 53 2HB GLN 53 9.652 -7.154 -2.022 381 1HG GLN 53 1HG GLN 53 11.413 -5.382 -0.387 382 2HG GLN 53 2HG GLN 53 12.238 -6.276 -1.649 383 2HE2 GLN 53 2HE2 GLN 53 10.906 -3.435 -1.003 384 1HE2 GLN 53 1HE2 GLN 53 10.308 -2.938 -2.551 385 H GLU 54 H GLU 54 8.446 -7.530 2.404 386 HA GLU 54 HA GLU 54 10.488 -7.030 4.082 387 1HB GLU 54 1HB GLU 54 9.302 -8.273 5.680 388 2HB GLU 54 2HB GLU 54 8.052 -7.879 4.516 389 1HG GLU 54 1HG GLU 54 8.632 -10.148 3.377 390 2HG GLU 54 2HG GLU 54 9.534 -10.520 4.833 391 H ALA 55 H ALA 55 12.573 -7.731 4.189 392 HA ALA 55 HA ALA 55 13.109 -10.546 3.795 393 1HB ALA 55 1HB ALA 55 14.423 -10.372 1.908 394 2HB ALA 55 2HB ALA 55 13.239 -9.092 1.552 395 3HB ALA 55 3HB ALA 55 14.835 -8.669 2.217 396 H GLU 56 H GLU 56 13.503 -10.337 6.111 397 HA GLU 56 HA GLU 56 15.791 -8.670 6.745 398 1HB GLU 56 1HB GLU 56 13.716 -10.064 8.483 399 2HB GLU 56 2HB GLU 56 15.134 -9.280 9.151 400 1HG GLU 56 1HG GLU 56 14.414 -7.160 7.869 401 2HG GLU 56 2HG GLU 56 12.901 -7.978 7.532 402 H CYS 57 H CYS 57 17.405 -10.033 5.724 403 HA CYS 57 HA CYS 57 18.102 -12.276 7.425 404 1HB CYS 57 1HB CYS 57 17.064 -12.570 4.740 405 2HB CYS 57 2HB CYS 57 18.713 -13.157 4.827 406 H THR 58 H THR 58 19.498 -10.240 7.973 407 HA THR 58 HA THR 58 21.388 -9.342 6.068 408 HB THR 58 HB THR 58 21.204 -9.214 9.121 409 HG1 THR 58 HG1 THR 58 19.669 -7.819 8.304 410 1HG2 THR 58 1HG2 THR 58 23.569 -8.801 8.292 411 2HG2 THR 58 2HG2 THR 58 22.920 -7.551 7.204 412 3HG2 THR 58 3HG2 THR 58 22.802 -7.344 8.968 413 H PHE 59 H PHE 59 21.821 -11.471 8.979 414 HA PHE 59 HA PHE 59 24.408 -12.137 8.588 415 1HB PHE 59 1HB PHE 59 21.937 -13.735 9.459 416 2HB PHE 59 2HB PHE 59 23.543 -14.423 9.595 417 HD1 PHE 59 HD1 PHE 59 25.163 -13.492 11.192 418 HD2 PHE 59 HD2 PHE 59 21.197 -12.001 10.960 419 HE1 PHE 59 HE1 PHE 59 25.451 -12.380 13.423 420 HE2 PHE 59 HE2 PHE 59 21.484 -10.889 13.192 421 HZ PHE 59 HZ PHE 59 23.608 -11.092 14.397 No H/Q in entry = 421 Start of MODEL 79 1 H GLU 1 H GLU 1 2.505 -6.045 17.669 2 HA GLU 1 HA GLU 1 4.244 -7.226 19.263 3 1HB GLU 1 1HB GLU 1 2.968 -5.120 20.795 4 2HB GLU 1 2HB GLU 1 2.530 -6.670 21.485 5 1HG GLU 1 1HG GLU 1 4.884 -7.315 21.705 6 2HG GLU 1 2HG GLU 1 5.406 -5.902 20.810 7 H GLU 2 H GLU 2 2.394 -7.910 17.293 8 HA GLU 2 HA GLU 2 1.329 -10.204 18.253 9 1HB GLU 2 1HB GLU 2 -0.285 -8.018 19.100 10 2HB GLU 2 2HB GLU 2 -1.175 -8.789 17.803 11 1HG GLU 2 1HG GLU 2 -1.518 -10.732 18.998 12 2HG GLU 2 2HG GLU 2 0.067 -10.680 19.745 13 H TYR 3 H TYR 3 0.019 -7.507 16.180 14 HA TYR 3 HA TYR 3 0.934 -8.553 13.779 15 1HB TYR 3 1HB TYR 3 -0.590 -10.439 14.182 16 2HB TYR 3 2HB TYR 3 -1.841 -9.377 14.798 17 HD1 TYR 3 HD1 TYR 3 0.166 -9.629 11.625 18 HD2 TYR 3 HD2 TYR 3 -3.690 -9.192 13.425 19 HE1 TYR 3 HE1 TYR 3 -0.907 -9.547 9.322 20 HE2 TYR 3 HE2 TYR 3 -4.751 -9.110 11.115 21 HH TYR 3 HH TYR 3 -4.205 -9.922 8.857 22 H VAL 4 H VAL 4 0.980 -6.775 12.504 23 HA VAL 4 HA VAL 4 -1.375 -5.095 12.395 24 HB VAL 4 HB VAL 4 -0.100 -4.162 14.251 25 1HG1 VAL 4 1HG1 VAL 4 2.164 -3.910 12.243 26 2HG1 VAL 4 2HG1 VAL 4 2.140 -3.167 13.860 27 3HG1 VAL 4 3HG1 VAL 4 2.134 -4.939 13.695 28 1HG2 VAL 4 1HG2 VAL 4 -1.030 -2.791 11.991 29 2HG2 VAL 4 2HG2 VAL 4 -0.732 -2.117 13.611 30 3HG2 VAL 4 3HG2 VAL 4 0.541 -2.044 12.369 31 H GLY 5 H GLY 5 -1.755 -4.549 10.302 32 1HA GLY 5 1HA GLY 5 -0.971 -5.399 8.077 33 2HA GLY 5 2HA GLY 5 0.551 -4.616 8.452 34 H LEU 6 H LEU 6 -1.686 -2.679 9.963 35 HA LEU 6 HA LEU 6 -2.169 -1.103 7.534 36 1HB LEU 6 1HB LEU 6 -3.950 -0.026 9.024 37 2HB LEU 6 2HB LEU 6 -4.257 -1.608 8.335 38 HG LEU 6 HG LEU 6 -4.974 -1.308 10.721 39 1HD1 LEU 6 1HD1 LEU 6 -3.626 -3.512 9.485 40 2HD1 LEU 6 2HD1 LEU 6 -3.249 -3.499 11.224 41 3HD1 LEU 6 3HD1 LEU 6 -4.944 -3.523 10.681 42 1HD2 LEU 6 1HD2 LEU 6 -1.986 -1.192 11.195 43 2HD2 LEU 6 2HD2 LEU 6 -3.204 0.042 11.598 44 3HD2 LEU 6 3HD2 LEU 6 -3.192 -1.514 12.463 45 H SER 7 H SER 7 0.400 -0.998 8.518 46 HA SER 7 HA SER 7 0.478 1.736 9.321 47 1HB SER 7 1HB SER 7 1.490 1.533 11.413 48 2HB SER 7 2HB SER 7 0.355 0.199 11.459 49 HG SER 7 HG SER 7 2.014 -1.277 11.038 50 H ALA 8 H ALA 8 3.328 1.520 10.199 51 HA ALA 8 HA ALA 8 4.541 1.663 7.685 52 1HB ALA 8 1HB ALA 8 5.202 2.696 9.969 53 2HB ALA 8 2HB ALA 8 5.995 1.136 10.289 54 3HB ALA 8 3HB ALA 8 6.510 2.128 8.904 55 H ASN 9 H ASN 9 6.998 0.065 8.713 56 HA ASN 9 HA ASN 9 7.901 -1.860 8.291 57 1HB ASN 9 1HB ASN 9 5.199 -2.738 9.366 58 2HB ASN 9 2HB ASN 9 6.308 -3.955 8.766 59 2HD2 ASN 9 2HD2 ASN 9 5.988 -1.231 10.994 60 1HD2 ASN 9 1HD2 ASN 9 7.135 -1.763 12.178 61 H GLN 10 H GLN 10 4.652 -3.192 7.509 62 HA GLN 10 HA GLN 10 5.416 -4.239 5.106 63 1HB GLN 10 1HB GLN 10 3.219 -4.463 6.660 64 2HB GLN 10 2HB GLN 10 2.554 -3.390 5.445 65 1HG GLN 10 1HG GLN 10 2.191 -5.241 4.177 66 2HG GLN 10 2HG GLN 10 3.921 -5.283 3.904 67 2HE2 GLN 10 2HE2 GLN 10 1.416 -6.257 6.223 68 1HE2 GLN 10 1HE2 GLN 10 2.140 -7.749 6.724 69 H CYS 11 H CYS 11 3.921 -1.051 5.871 70 HA CYS 11 HA CYS 11 4.319 -0.333 3.059 71 1HB CYS 11 1HB CYS 11 2.578 1.300 4.847 72 2HB CYS 11 2HB CYS 11 2.493 1.052 3.114 73 H ALA 12 H ALA 12 6.578 -0.404 4.684 74 HA ALA 12 HA ALA 12 6.937 2.392 5.511 75 1HB ALA 12 1HB ALA 12 9.097 0.903 6.458 76 2HB ALA 12 2HB ALA 12 7.670 1.397 7.399 77 3HB ALA 12 3HB ALA 12 7.715 -0.206 6.628 78 H VAL 13 H VAL 13 6.900 1.914 2.765 79 HA VAL 13 HA VAL 13 9.615 1.437 1.910 80 HB VAL 13 HB VAL 13 7.584 2.502 0.042 81 1HG1 VAL 13 1HG1 VAL 13 9.853 0.606 0.065 82 2HG1 VAL 13 2HG1 VAL 13 8.485 0.134 -0.970 83 3HG1 VAL 13 3HG1 VAL 13 9.284 1.706 -1.214 84 1HG2 VAL 13 1HG2 VAL 13 7.115 0.071 1.726 85 2HG2 VAL 13 2HG2 VAL 13 5.955 1.251 1.069 86 3HG2 VAL 13 3HG2 VAL 13 6.664 0.011 0.005 87 HA PRO 14 HA PRO 14 10.765 5.604 1.924 88 1HB PRO 14 1HB PRO 14 12.841 5.574 0.146 89 2HB PRO 14 2HB PRO 14 13.000 5.059 1.814 90 1HG PRO 14 1HG PRO 14 12.865 3.404 -0.631 91 2HG PRO 14 2HG PRO 14 13.439 2.961 0.964 92 1HD PRO 14 1HD PRO 14 10.920 2.252 -0.211 93 2HD PRO 14 2HD PRO 14 11.447 1.909 1.425 94 H ALA 15 H ALA 15 9.075 4.251 -0.481 95 HA ALA 15 HA ALA 15 7.654 5.331 -1.866 96 1HB ALA 15 1HB ALA 15 9.260 7.842 -2.055 97 2HB ALA 15 2HB ALA 15 7.499 7.617 -1.928 98 3HB ALA 15 3HB ALA 15 8.520 7.481 -0.477 99 H LYS 16 H LYS 16 11.093 4.998 -2.068 100 HA LYS 16 HA LYS 16 11.057 5.324 -4.966 101 1HB LYS 16 1HB LYS 16 13.505 5.161 -4.782 102 2HB LYS 16 2HB LYS 16 12.849 6.456 -3.801 103 1HG LYS 16 1HG LYS 16 14.530 5.222 -2.504 104 2HG LYS 16 2HG LYS 16 12.951 4.985 -1.782 105 1HD LYS 16 1HD LYS 16 12.786 2.753 -2.528 106 2HD LYS 16 2HD LYS 16 13.901 3.002 -3.857 107 1HE LYS 16 1HE LYS 16 15.304 3.556 -1.385 108 2HE LYS 16 2HE LYS 16 14.481 2.018 -1.214 109 1HZ LYS 16 1HZ LYS 16 15.452 1.522 -3.484 110 2HZ LYS 16 2HZ LYS 16 16.452 2.788 -3.228 111 3HZ LYS 16 3HZ LYS 16 16.478 1.508 -2.213 112 H ASP 17 H ASP 17 9.989 3.040 -2.950 113 HA ASP 17 HA ASP 17 10.999 0.936 -4.688 114 1HB ASP 17 1HB ASP 17 11.349 1.189 -1.834 115 2HB ASP 17 2HB ASP 17 10.251 -0.147 -2.114 116 H ARG 18 H ARG 18 8.485 2.763 -4.384 117 HA ARG 18 HA ARG 18 6.453 1.048 -3.460 118 1HB ARG 18 1HB ARG 18 6.131 3.473 -5.291 119 2HB ARG 18 2HB ARG 18 4.923 2.803 -4.213 120 1HG ARG 18 1HG ARG 18 7.568 4.049 -3.321 121 2HG ARG 18 2HG ARG 18 6.011 4.852 -3.268 122 1HD ARG 18 1HD ARG 18 5.247 2.766 -1.839 123 2HD ARG 18 2HD ARG 18 6.963 2.484 -1.622 124 HE ARG 18 HE ARG 18 6.958 4.219 -0.073 125 1HH1 ARG 18 1HH1 ARG 18 4.389 4.815 -2.403 126 2HH1 ARG 18 2HH1 ARG 18 3.844 6.262 -1.624 127 1HH2 ARG 18 1HH2 ARG 18 6.239 6.129 0.955 128 2HH2 ARG 18 2HH2 ARG 18 4.903 7.015 0.299 129 H VAL 19 H VAL 19 6.151 -0.875 -4.596 130 HA VAL 19 HA VAL 19 6.651 -1.159 -7.330 131 HB VAL 19 HB VAL 19 4.763 -2.829 -5.674 132 1HG1 VAL 19 1HG1 VAL 19 5.985 -3.069 -8.292 133 2HG1 VAL 19 2HG1 VAL 19 6.469 -4.423 -7.242 134 3HG1 VAL 19 3HG1 VAL 19 4.744 -4.085 -7.520 135 1HG2 VAL 19 1HG2 VAL 19 7.711 -2.457 -5.407 136 2HG2 VAL 19 2HG2 VAL 19 6.490 -2.878 -4.183 137 3HG2 VAL 19 3HG2 VAL 19 7.083 -4.120 -5.311 138 H ASP 20 H ASP 20 4.036 0.323 -5.588 139 HA ASP 20 HA ASP 20 2.155 1.210 -6.198 140 1HB ASP 20 1HB ASP 20 3.274 2.479 -7.877 141 2HB ASP 20 2HB ASP 20 3.561 1.072 -8.881 142 H CYS 21 H CYS 21 0.326 -0.086 -5.952 143 HA CYS 21 HA CYS 21 0.142 -2.538 -7.435 144 1HB CYS 21 1HB CYS 21 -2.249 -2.054 -6.006 145 2HB CYS 21 2HB CYS 21 -0.972 -3.201 -5.653 146 H GLY 22 H GLY 22 -0.591 0.753 -7.933 147 1HA GLY 22 1HA GLY 22 -1.879 0.364 -10.373 148 2HA GLY 22 2HA GLY 22 -1.819 1.856 -9.457 149 H TYR 23 H TYR 23 -3.597 2.518 -8.192 150 HA TYR 23 HA TYR 23 -6.064 1.179 -8.829 151 1HB TYR 23 1HB TYR 23 -4.646 0.404 -6.547 152 2HB TYR 23 2HB TYR 23 -5.593 1.730 -5.900 153 HD1 TYR 23 HD1 TYR 23 -6.484 -0.879 -8.444 154 HD2 TYR 23 HD2 TYR 23 -7.268 0.788 -4.583 155 HE1 TYR 23 HE1 TYR 23 -8.480 -2.431 -8.171 156 HE2 TYR 23 HE2 TYR 23 -9.261 -0.769 -4.323 157 HH TYR 23 HH TYR 23 -10.557 -2.487 -6.932 158 HA PRO 24 HA PRO 24 -7.336 5.304 -8.476 159 1HB PRO 24 1HB PRO 24 -10.049 4.985 -8.576 160 2HB PRO 24 2HB PRO 24 -9.030 4.981 -10.002 161 1HG PRO 24 1HG PRO 24 -10.328 2.697 -8.647 162 2HG PRO 24 2HG PRO 24 -9.677 2.784 -10.271 163 1HD PRO 24 1HD PRO 24 -8.462 1.520 -8.001 164 2HD PRO 24 2HD PRO 24 -7.761 1.708 -9.596 165 H HIS 25 H HIS 25 -10.094 3.949 -6.835 166 HA HIS 25 HA HIS 25 -9.967 5.814 -4.801 167 1HB HIS 25 1HB HIS 25 -11.541 4.228 -3.623 168 2HB HIS 25 2HB HIS 25 -12.027 4.763 -5.219 169 HD1 HIS 25 HD1 HIS 25 -13.557 2.620 -5.409 170 HD2 HIS 25 HD2 HIS 25 -9.445 1.839 -5.127 171 HE1 HIS 25 HE1 HIS 25 -13.246 0.178 -6.080 172 HE2 HIS 25 HE2 HIS 25 -10.694 -0.228 -5.940 173 H VAL 26 H VAL 26 -7.798 5.947 -4.013 174 HA VAL 26 HA VAL 26 -7.019 3.619 -2.395 175 HB VAL 26 HB VAL 26 -4.706 4.400 -2.697 176 1HG1 VAL 26 1HG1 VAL 26 -6.401 3.615 -5.051 177 2HG1 VAL 26 2HG1 VAL 26 -4.668 3.949 -5.284 178 3HG1 VAL 26 3HG1 VAL 26 -5.185 2.671 -4.159 179 1HG2 VAL 26 1HG2 VAL 26 -5.977 6.752 -3.692 180 2HG2 VAL 26 2HG2 VAL 26 -4.240 6.442 -3.458 181 3HG2 VAL 26 3HG2 VAL 26 -5.012 6.051 -5.014 182 H THR 27 H THR 27 -7.295 3.954 -0.257 183 HA THR 27 HA THR 27 -6.820 6.680 0.741 184 HB THR 27 HB THR 27 -8.863 6.638 1.951 185 HG1 THR 27 HG1 THR 27 -9.888 4.516 2.307 186 1HG2 THR 27 1HG2 THR 27 -9.388 4.947 -0.550 187 2HG2 THR 27 2HG2 THR 27 -10.659 5.698 0.444 188 3HG2 THR 27 3HG2 THR 27 -9.501 6.720 -0.443 189 HA PRO 28 HA PRO 28 -4.521 4.825 3.856 190 1HB PRO 28 1HB PRO 28 -5.117 6.234 6.121 191 2HB PRO 28 2HB PRO 28 -4.037 6.832 4.877 192 1HG PRO 28 1HG PRO 28 -6.821 7.639 5.460 193 2HG PRO 28 2HG PRO 28 -5.602 8.490 4.531 194 1HD PRO 28 1HD PRO 28 -7.826 7.006 3.492 195 2HD PRO 28 2HD PRO 28 -6.544 7.759 2.565 196 H LYS 29 H LYS 29 -6.875 3.391 3.234 197 HA LYS 29 HA LYS 29 -6.847 1.599 5.356 198 1HB LYS 29 1HB LYS 29 -8.132 3.661 6.341 199 2HB LYS 29 2HB LYS 29 -9.468 3.073 5.374 200 1HG LYS 29 1HG LYS 29 -8.100 0.922 6.886 201 2HG LYS 29 2HG LYS 29 -8.783 2.160 7.922 202 1HD LYS 29 1HD LYS 29 -10.996 1.897 6.828 203 2HD LYS 29 2HD LYS 29 -10.329 0.722 5.713 204 1HE LYS 29 1HE LYS 29 -10.515 -0.964 7.233 205 2HE LYS 29 2HE LYS 29 -9.717 -0.027 8.480 206 1HZ LYS 29 1HZ LYS 29 -11.808 1.101 8.878 207 2HZ LYS 29 2HZ LYS 29 -12.548 0.209 7.727 208 3HZ LYS 29 3HZ LYS 29 -11.973 -0.512 9.075 209 H GLU 30 H GLU 30 -8.606 3.107 2.624 210 HA GLU 30 HA GLU 30 -9.928 0.663 2.009 211 1HB GLU 30 1HB GLU 30 -10.885 2.947 1.539 212 2HB GLU 30 2HB GLU 30 -9.640 3.194 0.331 213 1HG GLU 30 1HG GLU 30 -10.719 1.900 -1.208 214 2HG GLU 30 2HG GLU 30 -11.021 0.621 -0.048 215 H CYS 31 H CYS 31 -6.987 2.419 0.996 216 HA CYS 31 HA CYS 31 -6.540 0.781 -1.279 217 1HB CYS 31 1HB CYS 31 -5.510 2.790 -1.552 218 2HB CYS 31 2HB CYS 31 -5.097 2.951 0.143 219 H ASN 32 H ASN 32 -5.868 0.686 2.200 220 HA ASN 32 HA ASN 32 -3.984 -1.467 1.823 221 1HB ASN 32 1HB ASN 32 -3.127 -0.740 3.815 222 2HB ASN 32 2HB ASN 32 -4.263 0.592 3.741 223 2HD2 ASN 32 2HD2 ASN 32 -6.583 -0.076 4.367 224 1HD2 ASN 32 1HD2 ASN 32 -6.751 -0.983 5.833 225 H ASN 33 H ASN 33 -7.274 -1.126 1.785 226 HA ASN 33 HA ASN 33 -7.802 -3.387 3.517 227 1HB ASN 33 1HB ASN 33 -9.386 -1.626 3.895 228 2HB ASN 33 2HB ASN 33 -9.530 -1.264 2.186 229 2HD2 ASN 33 2HD2 ASN 33 -10.964 -2.708 4.779 230 1HD2 ASN 33 1HD2 ASN 33 -12.080 -3.775 3.993 231 H ARG 34 H ARG 34 -8.110 -2.144 0.135 232 HA ARG 34 HA ARG 34 -9.478 -4.270 -0.920 233 1HB ARG 34 1HB ARG 34 -8.572 -1.907 -1.904 234 2HB ARG 34 2HB ARG 34 -7.339 -2.949 -2.587 235 1HG ARG 34 1HG ARG 34 -10.355 -3.155 -2.995 236 2HG ARG 34 2HG ARG 34 -9.149 -2.765 -4.205 237 1HD ARG 34 1HD ARG 34 -8.118 -5.100 -3.709 238 2HD ARG 34 2HD ARG 34 -9.592 -5.447 -2.827 239 HE ARG 34 HE ARG 34 -10.063 -4.404 -5.530 240 1HH1 ARG 34 1HH1 ARG 34 -9.522 -7.293 -3.595 241 2HH1 ARG 34 2HH1 ARG 34 -10.261 -8.357 -4.745 242 1HH2 ARG 34 1HH2 ARG 34 -11.037 -5.807 -7.048 243 2HH2 ARG 34 2HH2 ARG 34 -11.128 -7.506 -6.722 244 H GLY 35 H GLY 35 -6.101 -3.920 0.056 245 1HA GLY 35 1HA GLY 35 -5.500 -6.572 -1.115 246 2HA GLY 35 2HA GLY 35 -5.032 -6.098 0.506 247 H CYS 36 H CYS 36 -3.616 -4.070 0.704 248 HA CYS 36 HA CYS 36 -1.316 -4.401 -0.739 249 1HB CYS 36 1HB CYS 36 -3.124 -3.245 -2.438 250 2HB CYS 36 2HB CYS 36 -2.328 -1.834 -1.770 251 H CYS 37 H CYS 37 -0.629 -1.471 -0.822 252 HA CYS 37 HA CYS 37 -0.996 -0.827 2.009 253 1HB CYS 37 1HB CYS 37 1.548 -1.059 0.456 254 2HB CYS 37 2HB CYS 37 1.426 0.187 1.682 255 H PHE 38 H PHE 38 -1.078 1.485 2.433 256 HA PHE 38 HA PHE 38 -1.451 3.061 -0.016 257 1HB PHE 38 1HB PHE 38 -3.533 2.709 1.283 258 2HB PHE 38 2HB PHE 38 -2.715 3.096 2.784 259 HD1 PHE 38 HD1 PHE 38 -4.117 4.493 -0.309 260 HD2 PHE 38 HD2 PHE 38 -2.348 5.380 3.444 261 HE1 PHE 38 HE1 PHE 38 -4.819 6.892 -0.545 262 HE2 PHE 38 HE2 PHE 38 -3.049 7.779 3.208 263 HZ PHE 38 HZ PHE 38 -4.276 8.506 1.216 264 H ASP 39 H ASP 39 -1.306 5.574 0.621 265 HA ASP 39 HA ASP 39 0.368 6.287 2.701 266 1HB ASP 39 1HB ASP 39 2.214 5.224 1.609 267 2HB ASP 39 2HB ASP 39 1.693 5.752 0.022 268 H SER 40 H SER 40 0.493 8.630 2.771 269 HA SER 40 HA SER 40 -0.520 9.974 0.401 270 1HB SER 40 1HB SER 40 -1.952 11.417 1.820 271 2HB SER 40 2HB SER 40 -2.421 9.733 1.941 272 HG SER 40 HG SER 40 -2.029 9.798 4.039 273 H ARG 41 H ARG 41 2.101 9.506 2.170 274 HA ARG 41 HA ARG 41 2.773 11.920 3.284 275 1HB ARG 41 1HB ARG 41 3.969 9.487 3.143 276 2HB ARG 41 2HB ARG 41 4.917 10.301 1.915 277 1HG ARG 41 1HG ARG 41 5.051 12.223 3.800 278 2HG ARG 41 2HG ARG 41 4.745 10.870 4.871 279 1HD ARG 41 1HD ARG 41 6.685 9.742 3.332 280 2HD ARG 41 2HD ARG 41 7.143 11.422 3.143 281 HE ARG 41 HE ARG 41 6.781 11.246 5.858 282 1HH1 ARG 41 1HH1 ARG 41 8.585 9.261 3.580 283 2HH1 ARG 41 2HH1 ARG 41 9.774 8.780 4.745 284 1HH2 ARG 41 1HH2 ARG 41 8.350 10.613 7.394 285 2HH2 ARG 41 2HH2 ARG 41 9.640 9.555 6.928 286 H ILE 42 H ILE 42 3.398 10.596 -0.039 287 HA ILE 42 HA ILE 42 3.581 13.337 -0.998 288 HB ILE 42 HB ILE 42 5.564 12.121 -2.442 289 1HG1 ILE 42 1HG1 ILE 42 7.127 11.169 -0.759 290 2HG1 ILE 42 2HG1 ILE 42 5.849 11.216 0.439 291 1HG2 ILE 42 1HG2 ILE 42 5.586 13.986 -0.077 292 2HG2 ILE 42 2HG2 ILE 42 7.089 13.512 -0.903 293 3HG2 ILE 42 3HG2 ILE 42 5.805 14.351 -1.805 294 1HD1 ILE 42 1HD1 ILE 42 4.984 9.922 -2.069 295 2HD1 ILE 42 2HD1 ILE 42 6.362 9.099 -1.299 296 3HD1 ILE 42 3HD1 ILE 42 4.851 9.346 -0.391 297 HA PRO 43 HA PRO 43 1.096 11.472 -4.018 298 1HB PRO 43 1HB PRO 43 0.818 13.604 -5.706 299 2HB PRO 43 2HB PRO 43 -0.155 13.390 -4.264 300 1HG PRO 43 1HG PRO 43 2.096 15.251 -4.723 301 2HG PRO 43 2HG PRO 43 0.860 15.308 -3.482 302 1HD PRO 43 1HD PRO 43 3.580 14.456 -3.157 303 2HD PRO 43 2HD PRO 43 2.313 14.404 -1.947 304 H GLY 44 H GLY 44 3.995 13.175 -4.967 305 1HA GLY 44 1HA GLY 44 5.644 12.442 -6.346 306 2HA GLY 44 2HA GLY 44 4.357 12.520 -7.533 307 H VAL 45 H VAL 45 4.901 10.262 -4.739 308 HA VAL 45 HA VAL 45 5.450 8.106 -6.580 309 HB VAL 45 HB VAL 45 6.268 6.985 -4.779 310 1HG1 VAL 45 1HG1 VAL 45 7.104 9.516 -4.976 311 2HG1 VAL 45 2HG1 VAL 45 6.455 9.584 -3.320 312 3HG1 VAL 45 3HG1 VAL 45 7.723 8.404 -3.731 313 1HG2 VAL 45 1HG2 VAL 45 4.214 8.425 -3.076 314 2HG2 VAL 45 2HG2 VAL 45 4.268 6.698 -3.504 315 3HG2 VAL 45 3HG2 VAL 45 5.491 7.381 -2.406 316 HA PRO 46 HA PRO 46 1.508 6.330 -6.479 317 1HB PRO 46 1HB PRO 46 1.934 3.645 -6.204 318 2HB PRO 46 2HB PRO 46 2.149 4.499 -7.719 319 1HG PRO 46 1HG PRO 46 4.207 3.483 -5.856 320 2HG PRO 46 2HG PRO 46 4.380 3.945 -7.537 321 1HD PRO 46 1HD PRO 46 5.190 5.469 -5.246 322 2HD PRO 46 2HD PRO 46 5.257 5.979 -6.921 323 H TRP 47 H TRP 47 0.621 7.405 -4.688 324 HA TRP 47 HA TRP 47 0.897 7.010 -2.129 325 1HB TRP 47 1HB TRP 47 -1.541 7.336 -3.797 326 2HB TRP 47 2HB TRP 47 -1.781 6.907 -2.114 327 HD1 TRP 47 HD1 TRP 47 1.148 9.232 -3.016 328 HE1 TRP 47 HE1 TRP 47 0.764 11.670 -2.083 329 HE3 TRP 47 HE3 TRP 47 -3.649 8.467 -1.516 330 HZ2 TRP 47 HZ2 TRP 47 -1.454 12.976 -0.849 331 HZ3 TRP 47 HZ3 TRP 47 -4.853 10.375 -0.456 332 HH2 TRP 47 HH2 TRP 47 -3.832 12.569 -0.114 333 H CYS 48 H CYS 48 -1.130 4.768 -4.164 334 HA CYS 48 HA CYS 48 -1.045 2.832 -2.020 335 1HB CYS 48 1HB CYS 48 -3.096 3.434 -3.468 336 2HB CYS 48 2HB CYS 48 -2.349 2.443 -4.706 337 H PHE 49 H PHE 49 0.421 1.147 -1.985 338 HA PHE 49 HA PHE 49 1.557 0.245 -4.490 339 1HB PHE 49 1HB PHE 49 3.879 0.459 -3.315 340 2HB PHE 49 2HB PHE 49 3.164 1.960 -3.869 341 HD1 PHE 49 HD1 PHE 49 3.382 -0.190 -0.832 342 HD2 PHE 49 HD2 PHE 49 2.952 3.734 -2.390 343 HE1 PHE 49 HE1 PHE 49 3.556 0.751 1.489 344 HE2 PHE 49 HE2 PHE 49 3.126 4.674 -0.069 345 HZ PHE 49 HZ PHE 49 3.427 3.171 1.842 346 H LYS 50 H LYS 50 3.067 -1.716 -4.048 347 HA LYS 50 HA LYS 50 1.610 -3.504 -2.388 348 1HB LYS 50 1HB LYS 50 4.271 -4.005 -3.740 349 2HB LYS 50 2HB LYS 50 3.071 -5.186 -3.256 350 1HG LYS 50 1HG LYS 50 1.435 -4.106 -4.871 351 2HG LYS 50 2HG LYS 50 2.725 -3.051 -5.413 352 1HD LYS 50 1HD LYS 50 2.922 -4.759 -6.985 353 2HD LYS 50 2HD LYS 50 4.050 -5.336 -5.774 354 1HE LYS 50 1HE LYS 50 2.528 -6.964 -4.940 355 2HE LYS 50 2HE LYS 50 1.131 -6.146 -5.610 356 1HZ LYS 50 1HZ LYS 50 2.153 -6.655 -7.830 357 2HZ LYS 50 2HZ LYS 50 3.169 -7.672 -7.054 358 3HZ LYS 50 3HZ LYS 50 1.557 -7.932 -7.005 359 HA PRO 51 HA PRO 51 3.966 -3.339 1.224 360 1HB PRO 51 1HB PRO 51 4.105 -5.935 2.067 361 2HB PRO 51 2HB PRO 51 2.682 -4.934 2.278 362 1HG PRO 51 1HG PRO 51 3.139 -7.123 0.344 363 2HG PRO 51 2HG PRO 51 1.622 -6.410 0.858 364 1HD PRO 51 1HD PRO 51 2.988 -5.940 -1.621 365 2HD PRO 51 2HD PRO 51 1.533 -5.141 -1.057 366 H LEU 52 H LEU 52 6.007 -2.855 1.747 367 HA LEU 52 HA LEU 52 8.068 -3.222 0.122 368 1HB LEU 52 1HB LEU 52 8.419 -1.878 1.964 369 2HB LEU 52 2HB LEU 52 7.883 -3.096 3.104 370 HG LEU 52 HG LEU 52 10.447 -3.365 1.523 371 1HD1 LEU 52 1HD1 LEU 52 9.954 -1.381 3.411 372 2HD1 LEU 52 2HD1 LEU 52 10.803 -2.654 4.320 373 3HD1 LEU 52 3HD1 LEU 52 11.543 -1.962 2.857 374 1HD2 LEU 52 1HD2 LEU 52 9.009 -5.128 3.215 375 2HD2 LEU 52 2HD2 LEU 52 10.610 -5.360 2.473 376 3HD2 LEU 52 3HD2 LEU 52 10.476 -4.629 4.091 377 H GLN 53 H GLN 53 9.545 -4.784 -0.504 378 HA GLN 53 HA GLN 53 8.694 -7.421 -0.283 379 1HB GLN 53 1HB GLN 53 10.880 -5.931 -1.570 380 2HB GLN 53 2HB GLN 53 11.397 -7.519 -1.040 381 1HG GLN 53 1HG GLN 53 10.476 -8.258 -2.996 382 2HG GLN 53 2HG GLN 53 8.947 -8.129 -2.150 383 2HE2 GLN 53 2HE2 GLN 53 8.465 -5.508 -1.953 384 1HE2 GLN 53 1HE2 GLN 53 8.302 -4.753 -3.504 385 H GLU 54 H GLU 54 8.467 -7.621 2.104 386 HA GLU 54 HA GLU 54 10.338 -7.269 3.956 387 1HB GLU 54 1HB GLU 54 9.122 -8.751 5.314 388 2HB GLU 54 2HB GLU 54 7.940 -8.294 4.103 389 1HG GLU 54 1HG GLU 54 8.701 -10.382 2.774 390 2HG GLU 54 2HG GLU 54 9.571 -10.866 4.216 391 H ALA 55 H ALA 55 12.362 -8.034 4.451 392 HA ALA 55 HA ALA 55 13.178 -10.667 3.987 393 1HB ALA 55 1HB ALA 55 14.285 -10.633 1.985 394 2HB ALA 55 2HB ALA 55 13.082 -9.376 1.605 395 3HB ALA 55 3HB ALA 55 14.718 -8.913 2.132 396 H GLU 56 H GLU 56 14.725 -11.013 5.507 397 HA GLU 56 HA GLU 56 16.220 -10.630 7.034 398 1HB GLU 56 1HB GLU 56 17.163 -8.480 5.089 399 2HB GLU 56 2HB GLU 56 18.077 -8.982 6.497 400 1HG GLU 56 1HG GLU 56 19.006 -10.374 4.866 401 2HG GLU 56 2HG GLU 56 17.757 -11.423 5.507 402 H CYS 57 H CYS 57 17.176 -8.875 8.636 403 HA CYS 57 HA CYS 57 16.881 -7.181 10.017 404 1HB CYS 57 1HB CYS 57 14.665 -6.082 8.289 405 2HB CYS 57 2HB CYS 57 15.629 -5.231 9.480 406 H THR 58 H THR 58 13.547 -7.745 8.653 407 HA THR 58 HA THR 58 12.741 -8.632 11.346 408 HB THR 58 HB THR 58 11.843 -6.379 10.581 409 HG1 THR 58 HG1 THR 58 10.518 -7.583 12.001 410 1HG2 THR 58 1HG2 THR 58 11.262 -7.923 8.175 411 2HG2 THR 58 2HG2 THR 58 9.741 -7.353 8.903 412 3HG2 THR 58 3HG2 THR 58 11.009 -6.185 8.462 413 H PHE 59 H PHE 59 11.133 -10.308 11.485 414 HA PHE 59 HA PHE 59 11.656 -12.533 10.117 415 1HB PHE 59 1HB PHE 59 10.113 -12.378 12.049 416 2HB PHE 59 2HB PHE 59 9.002 -11.372 11.140 417 HD1 PHE 59 HD1 PHE 59 10.421 -14.797 11.299 418 HD2 PHE 59 HD2 PHE 59 7.261 -12.335 9.896 419 HE1 PHE 59 HE1 PHE 59 9.137 -16.840 10.605 420 HE2 PHE 59 HE2 PHE 59 5.978 -14.378 9.203 421 HZ PHE 59 HZ PHE 59 6.931 -16.606 9.566 No H/Q in entry = 421 Start of MODEL 80 1 H GLU 1 H GLU 1 2.975 -4.301 18.274 2 HA GLU 1 HA GLU 1 2.945 -3.517 20.623 3 1HB GLU 1 1HB GLU 1 0.500 -5.049 20.512 4 2HB GLU 1 2HB GLU 1 1.555 -5.789 21.699 5 1HG GLU 1 1HG GLU 1 1.893 -3.109 22.294 6 2HG GLU 1 2HG GLU 1 0.228 -3.122 21.745 7 H GLU 2 H GLU 2 2.404 -7.038 19.855 8 HA GLU 2 HA GLU 2 5.204 -7.424 20.583 9 1HB GLU 2 1HB GLU 2 2.953 -8.533 21.818 10 2HB GLU 2 2HB GLU 2 3.490 -9.819 20.756 11 1HG GLU 2 1HG GLU 2 5.698 -8.467 22.221 12 2HG GLU 2 2HG GLU 2 4.548 -9.280 23.264 13 H TYR 3 H TYR 3 2.443 -8.700 18.604 14 HA TYR 3 HA TYR 3 4.447 -9.547 16.620 15 1HB TYR 3 1HB TYR 3 3.360 -11.511 17.565 16 2HB TYR 3 2HB TYR 3 1.821 -10.684 17.706 17 HD1 TYR 3 HD1 TYR 3 4.234 -11.541 14.948 18 HD2 TYR 3 HD2 TYR 3 0.166 -11.418 16.268 19 HE1 TYR 3 HE1 TYR 3 3.480 -12.556 12.743 20 HE2 TYR 3 HE2 TYR 3 -0.574 -12.434 14.058 21 HH TYR 3 HH TYR 3 1.790 -13.090 11.495 22 H VAL 4 H VAL 4 4.427 -8.007 15.037 23 HA VAL 4 HA VAL 4 1.790 -7.345 13.942 24 HB VAL 4 HB VAL 4 2.923 -5.574 15.475 25 1HG1 VAL 4 1HG1 VAL 4 5.080 -5.929 13.903 26 2HG1 VAL 4 2HG1 VAL 4 4.293 -4.601 13.017 27 3HG1 VAL 4 3HG1 VAL 4 4.723 -4.395 14.732 28 1HG2 VAL 4 1HG2 VAL 4 1.152 -5.457 13.300 29 2HG2 VAL 4 2HG2 VAL 4 1.384 -4.232 14.571 30 3HG2 VAL 4 3HG2 VAL 4 2.294 -4.116 13.046 31 H GLY 5 H GLY 5 2.910 -5.640 11.872 32 1HA GLY 5 1HA GLY 5 4.208 -7.736 10.253 33 2HA GLY 5 2HA GLY 5 4.880 -6.119 10.323 34 H LEU 6 H LEU 6 1.476 -5.991 10.714 35 HA LEU 6 HA LEU 6 1.162 -5.458 7.840 36 1HB LEU 6 1HB LEU 6 -1.292 -6.048 9.287 37 2HB LEU 6 2HB LEU 6 -0.702 -6.659 7.754 38 HG LEU 6 HG LEU 6 0.919 -8.046 9.390 39 1HD1 LEU 6 1HD1 LEU 6 -1.129 -6.954 11.139 40 2HD1 LEU 6 2HD1 LEU 6 -1.125 -8.734 11.152 41 3HD1 LEU 6 3HD1 LEU 6 0.365 -7.838 11.534 42 1HD2 LEU 6 1HD2 LEU 6 -1.770 -8.595 8.229 43 2HD2 LEU 6 2HD2 LEU 6 -0.192 -9.346 7.890 44 3HD2 LEU 6 3HD2 LEU 6 -1.092 -9.790 9.361 45 H SER 7 H SER 7 2.246 -3.479 9.444 46 HA SER 7 HA SER 7 0.330 -1.474 9.095 47 1HB SER 7 1HB SER 7 0.203 -0.730 11.507 48 2HB SER 7 2HB SER 7 -0.657 -2.219 11.168 49 HG SER 7 HG SER 7 0.482 -2.910 12.870 50 H ALA 8 H ALA 8 1.861 -0.223 8.029 51 HA ALA 8 HA ALA 8 3.503 1.281 7.895 52 1HB ALA 8 1HB ALA 8 4.532 2.160 9.795 53 2HB ALA 8 2HB ALA 8 4.575 0.587 10.627 54 3HB ALA 8 3HB ALA 8 3.039 1.474 10.481 55 H ASN 9 H ASN 9 4.645 -1.566 9.854 56 HA ASN 9 HA ASN 9 7.138 -1.690 8.784 57 1HB ASN 9 1HB ASN 9 5.309 -3.500 10.234 58 2HB ASN 9 2HB ASN 9 6.365 -4.390 9.155 59 2HD2 ASN 9 2HD2 ASN 9 7.442 -5.309 10.897 60 1HD2 ASN 9 1HD2 ASN 9 8.607 -4.448 11.847 61 H GLN 10 H GLN 10 3.981 -2.679 7.478 62 HA GLN 10 HA GLN 10 5.178 -4.235 5.389 63 1HB GLN 10 1HB GLN 10 2.776 -4.412 6.657 64 2HB GLN 10 2HB GLN 10 2.287 -3.463 5.268 65 1HG GLN 10 1HG GLN 10 3.467 -5.204 3.793 66 2HG GLN 10 2HG GLN 10 3.665 -6.185 5.231 67 2HE2 GLN 10 2HE2 GLN 10 1.066 -4.151 3.878 68 1HE2 GLN 10 1HE2 GLN 10 -0.198 -5.332 3.952 69 H CYS 11 H CYS 11 3.715 -1.008 5.900 70 HA CYS 11 HA CYS 11 4.312 -0.411 3.094 71 1HB CYS 11 1HB CYS 11 2.563 1.407 4.658 72 2HB CYS 11 2HB CYS 11 2.517 0.976 2.960 73 H ALA 12 H ALA 12 6.471 -0.509 4.829 74 HA ALA 12 HA ALA 12 6.869 2.248 5.731 75 1HB ALA 12 1HB ALA 12 7.989 -0.445 6.462 76 2HB ALA 12 2HB ALA 12 9.000 0.998 6.710 77 3HB ALA 12 3HB ALA 12 7.416 0.871 7.514 78 H VAL 13 H VAL 13 6.764 1.866 2.936 79 HA VAL 13 HA VAL 13 9.524 1.621 2.069 80 HB VAL 13 HB VAL 13 7.488 2.407 0.115 81 1HG1 VAL 13 1HG1 VAL 13 9.866 0.748 0.326 82 2HG1 VAL 13 2HG1 VAL 13 8.549 -0.111 -0.508 83 3HG1 VAL 13 3HG1 VAL 13 9.104 1.469 -1.112 84 1HG2 VAL 13 1HG2 VAL 13 7.053 0.000 1.879 85 2HG2 VAL 13 2HG2 VAL 13 5.879 1.213 1.313 86 3HG2 VAL 13 3HG2 VAL 13 6.519 -0.002 0.180 87 HA PRO 14 HA PRO 14 10.168 5.890 1.902 88 1HB PRO 14 1HB PRO 14 12.053 6.101 -0.065 89 2HB PRO 14 2HB PRO 14 12.431 5.617 1.577 90 1HG PRO 14 1HG PRO 14 12.262 3.946 -0.857 91 2HG PRO 14 2HG PRO 14 13.035 3.582 0.673 92 1HD PRO 14 1HD PRO 14 10.519 2.572 -0.261 93 2HD PRO 14 2HD PRO 14 11.237 2.301 1.314 94 H ALA 15 H ALA 15 10.132 4.734 -1.444 95 HA ALA 15 HA ALA 15 7.789 5.687 -2.265 96 1HB ALA 15 1HB ALA 15 9.569 7.937 -1.578 97 2HB ALA 15 2HB ALA 15 7.806 7.907 -1.821 98 3HB ALA 15 3HB ALA 15 8.896 8.033 -3.223 99 H LYS 16 H LYS 16 11.242 5.277 -2.732 100 HA LYS 16 HA LYS 16 10.916 5.171 -5.623 101 1HB LYS 16 1HB LYS 16 13.329 5.078 -5.704 102 2HB LYS 16 2HB LYS 16 12.828 6.402 -4.672 103 1HG LYS 16 1HG LYS 16 14.524 5.372 -3.395 104 2HG LYS 16 2HG LYS 16 13.063 4.703 -2.697 105 1HD LYS 16 1HD LYS 16 13.398 2.590 -3.650 106 2HD LYS 16 2HD LYS 16 14.294 3.224 -5.016 107 1HE LYS 16 1HE LYS 16 16.248 3.691 -3.558 108 2HE LYS 16 2HE LYS 16 15.352 3.161 -2.149 109 1HZ LYS 16 1HZ LYS 16 15.118 0.994 -3.298 110 2HZ LYS 16 2HZ LYS 16 16.162 1.517 -4.440 111 3HZ LYS 16 3HZ LYS 16 16.653 1.372 -2.889 112 H ASP 17 H ASP 17 10.183 3.191 -3.103 113 HA ASP 17 HA ASP 17 11.060 0.844 -4.595 114 1HB ASP 17 1HB ASP 17 11.205 1.529 -1.757 115 2HB ASP 17 2HB ASP 17 10.252 0.074 -1.970 116 H ARG 18 H ARG 18 8.537 2.792 -4.462 117 HA ARG 18 HA ARG 18 6.493 1.104 -3.487 118 1HB ARG 18 1HB ARG 18 6.141 3.484 -5.365 119 2HB ARG 18 2HB ARG 18 4.977 2.859 -4.214 120 1HG ARG 18 1HG ARG 18 7.649 4.160 -3.504 121 2HG ARG 18 2HG ARG 18 6.078 4.923 -3.364 122 1HD ARG 18 1HD ARG 18 5.434 2.929 -1.813 123 2HD ARG 18 2HD ARG 18 7.146 2.556 -1.769 124 HE ARG 18 HE ARG 18 7.400 4.306 -0.258 125 1HH1 ARG 18 1HH1 ARG 18 4.608 4.997 -2.285 126 2HH1 ARG 18 2HH1 ARG 18 4.216 6.470 -1.463 127 1HH2 ARG 18 1HH2 ARG 18 6.883 6.250 0.827 128 2HH2 ARG 18 2HH2 ARG 18 5.518 7.188 0.318 129 H VAL 19 H VAL 19 6.107 -0.812 -4.592 130 HA VAL 19 HA VAL 19 6.645 -1.146 -7.322 131 HB VAL 19 HB VAL 19 4.697 -2.788 -5.720 132 1HG1 VAL 19 1HG1 VAL 19 6.630 -3.319 -7.983 133 2HG1 VAL 19 2HG1 VAL 19 5.963 -4.633 -6.985 134 3HG1 VAL 19 3HG1 VAL 19 4.872 -3.589 -7.928 135 1HG2 VAL 19 1HG2 VAL 19 7.592 -2.346 -5.210 136 2HG2 VAL 19 2HG2 VAL 19 6.291 -2.844 -4.102 137 3HG2 VAL 19 3HG2 VAL 19 7.034 -4.036 -5.195 138 H ASP 20 H ASP 20 4.084 0.457 -5.644 139 HA ASP 20 HA ASP 20 2.232 1.383 -6.285 140 1HB ASP 20 1HB ASP 20 3.655 2.316 -8.118 141 2HB ASP 20 2HB ASP 20 3.289 0.922 -9.115 142 H CYS 21 H CYS 21 0.319 0.229 -5.999 143 HA CYS 21 HA CYS 21 0.043 -2.352 -7.190 144 1HB CYS 21 1HB CYS 21 -2.325 -1.183 -5.906 145 2HB CYS 21 2HB CYS 21 -1.539 -2.728 -5.648 146 H GLY 22 H GLY 22 -0.881 0.993 -7.835 147 1HA GLY 22 1HA GLY 22 -1.879 0.317 -10.427 148 2HA GLY 22 2HA GLY 22 -1.793 1.906 -9.693 149 H TYR 23 H TYR 23 -3.463 2.422 -7.945 150 HA TYR 23 HA TYR 23 -6.029 1.349 -8.833 151 1HB TYR 23 1HB TYR 23 -4.738 0.439 -6.552 152 2HB TYR 23 2HB TYR 23 -5.529 1.855 -5.888 153 HD1 TYR 23 HD1 TYR 23 -6.615 -0.766 -8.357 154 HD2 TYR 23 HD2 TYR 23 -7.392 1.237 -4.657 155 HE1 TYR 23 HE1 TYR 23 -8.767 -2.091 -8.084 156 HE2 TYR 23 HE2 TYR 23 -9.542 -0.095 -4.397 157 HH TYR 23 HH TYR 23 -10.322 -2.708 -6.600 158 HA PRO 24 HA PRO 24 -7.059 5.544 -8.493 159 1HB PRO 24 1HB PRO 24 -9.779 5.384 -8.703 160 2HB PRO 24 2HB PRO 24 -8.707 5.335 -10.088 161 1HG PRO 24 1HG PRO 24 -10.188 3.118 -8.811 162 2HG PRO 24 2HG PRO 24 -9.470 3.182 -10.408 163 1HD PRO 24 1HD PRO 24 -8.421 1.828 -8.107 164 2HD PRO 24 2HD PRO 24 -7.648 1.989 -9.671 165 H HIS 25 H HIS 25 -9.823 4.089 -6.884 166 HA HIS 25 HA HIS 25 -9.704 6.007 -4.840 167 1HB HIS 25 1HB HIS 25 -11.729 5.216 -4.322 168 2HB HIS 25 2HB HIS 25 -11.583 4.276 -5.794 169 HD1 HIS 25 HD1 HIS 25 -12.257 3.894 -2.270 170 HD2 HIS 25 HD2 HIS 25 -10.366 1.566 -5.202 171 HE1 HIS 25 HE1 HIS 25 -12.202 1.509 -1.363 172 HE2 HIS 25 HE2 HIS 25 -11.078 0.116 -3.232 173 H VAL 26 H VAL 26 -7.774 6.090 -3.703 174 HA VAL 26 HA VAL 26 -7.126 3.637 -2.224 175 HB VAL 26 HB VAL 26 -4.746 4.389 -2.359 176 1HG1 VAL 26 1HG1 VAL 26 -6.327 3.473 -4.746 177 2HG1 VAL 26 2HG1 VAL 26 -4.579 3.770 -4.906 178 3HG1 VAL 26 3HG1 VAL 26 -5.175 2.574 -3.730 179 1HG2 VAL 26 1HG2 VAL 26 -5.862 6.721 -3.443 180 2HG2 VAL 26 2HG2 VAL 26 -4.135 6.305 -3.331 181 3HG2 VAL 26 3HG2 VAL 26 -5.049 5.921 -4.809 182 H THR 27 H THR 27 -7.196 3.891 -0.048 183 HA THR 27 HA THR 27 -6.878 6.627 0.987 184 HB THR 27 HB THR 27 -8.853 6.396 2.290 185 HG1 THR 27 HG1 THR 27 -8.453 3.569 1.608 186 1HG2 THR 27 1HG2 THR 27 -9.386 6.326 -0.250 187 2HG2 THR 27 2HG2 THR 27 -9.568 4.567 -0.049 188 3HG2 THR 27 3HG2 THR 27 -10.642 5.679 0.833 189 HA PRO 28 HA PRO 28 -4.300 4.910 3.959 190 1HB PRO 28 1HB PRO 28 -4.903 6.228 6.277 191 2HB PRO 28 2HB PRO 28 -3.932 6.932 4.999 192 1HG PRO 28 1HG PRO 28 -6.741 7.502 5.720 193 2HG PRO 28 2HG PRO 28 -5.638 8.465 4.756 194 1HD PRO 28 1HD PRO 28 -7.782 6.824 3.786 195 2HD PRO 28 2HD PRO 28 -6.607 7.694 2.819 196 H LYS 29 H LYS 29 -6.529 3.283 3.407 197 HA LYS 29 HA LYS 29 -6.269 1.466 5.480 198 1HB LYS 29 1HB LYS 29 -7.683 3.427 6.548 199 2HB LYS 29 2HB LYS 29 -9.006 2.677 5.679 200 1HG LYS 29 1HG LYS 29 -7.156 0.955 7.352 201 2HG LYS 29 2HG LYS 29 -8.417 1.883 8.140 202 1HD LYS 29 1HD LYS 29 -10.125 0.816 6.641 203 2HD LYS 29 2HD LYS 29 -8.858 -0.125 5.879 204 1HE LYS 29 1HE LYS 29 -9.701 -1.623 7.498 205 2HE LYS 29 2HE LYS 29 -8.291 -0.958 8.298 206 1HZ LYS 29 1HZ LYS 29 -10.677 0.564 8.691 207 2HZ LYS 29 2HZ LYS 29 -10.751 -0.945 9.311 208 3HZ LYS 29 3HZ LYS 29 -9.563 0.073 9.780 209 H GLU 30 H GLU 30 -8.738 2.836 3.198 210 HA GLU 30 HA GLU 30 -9.751 0.347 2.503 211 1HB GLU 30 1HB GLU 30 -10.427 2.970 2.002 212 2HB GLU 30 2HB GLU 30 -9.844 2.477 0.425 213 1HG GLU 30 1HG GLU 30 -11.445 0.682 0.272 214 2HG GLU 30 2HG GLU 30 -11.827 0.769 1.980 215 H CYS 31 H CYS 31 -7.064 2.341 1.202 216 HA CYS 31 HA CYS 31 -6.664 0.836 -1.118 217 1HB CYS 31 1HB CYS 31 -5.620 2.847 -1.262 218 2HB CYS 31 2HB CYS 31 -5.143 2.863 0.424 219 H ASN 32 H ASN 32 -5.508 0.602 2.281 220 HA ASN 32 HA ASN 32 -3.779 -1.574 1.623 221 1HB ASN 32 1HB ASN 32 -2.806 -0.960 3.597 222 2HB ASN 32 2HB ASN 32 -4.015 0.298 3.758 223 2HD2 ASN 32 2HD2 ASN 32 -6.102 -0.304 4.704 224 1HD2 ASN 32 1HD2 ASN 32 -6.152 -1.471 5.983 225 H ASN 33 H ASN 33 -7.078 -1.238 1.845 226 HA ASN 33 HA ASN 33 -7.484 -3.670 3.365 227 1HB ASN 33 1HB ASN 33 -8.913 -1.615 3.813 228 2HB ASN 33 2HB ASN 33 -9.536 -1.727 2.179 229 2HD2 ASN 33 2HD2 ASN 33 -11.614 -1.915 3.141 230 1HD2 ASN 33 1HD2 ASN 33 -12.198 -3.431 3.741 231 H ARG 34 H ARG 34 -7.830 -2.130 0.138 232 HA ARG 34 HA ARG 34 -9.354 -4.106 -1.042 233 1HB ARG 34 1HB ARG 34 -8.451 -1.673 -1.837 234 2HB ARG 34 2HB ARG 34 -7.272 -2.661 -2.677 235 1HG ARG 34 1HG ARG 34 -9.212 -2.236 -4.139 236 2HG ARG 34 2HG ARG 34 -9.101 -3.946 -3.772 237 1HD ARG 34 1HD ARG 34 -10.694 -2.754 -1.697 238 2HD ARG 34 2HD ARG 34 -11.287 -2.121 -3.220 239 HE ARG 34 HE ARG 34 -11.044 -4.800 -3.778 240 1HH1 ARG 34 1HH1 ARG 34 -12.572 -3.056 -1.131 241 2HH1 ARG 34 2HH1 ARG 34 -13.778 -4.270 -0.859 242 1HH2 ARG 34 1HH2 ARG 34 -12.635 -6.401 -3.420 243 2HH2 ARG 34 2HH2 ARG 34 -13.814 -6.185 -2.169 244 H GLY 35 H GLY 35 -6.017 -4.033 -0.030 245 1HA GLY 35 1HA GLY 35 -5.484 -6.503 -1.571 246 2HA GLY 35 2HA GLY 35 -4.980 -6.241 0.087 247 H CYS 36 H CYS 36 -3.590 -4.153 0.452 248 HA CYS 36 HA CYS 36 -1.257 -4.410 -0.935 249 1HB CYS 36 1HB CYS 36 -3.040 -3.190 -2.638 250 2HB CYS 36 2HB CYS 36 -2.214 -1.818 -1.927 251 H CYS 37 H CYS 37 -0.600 -1.468 -0.918 252 HA CYS 37 HA CYS 37 -1.053 -0.910 1.919 253 1HB CYS 37 1HB CYS 37 1.515 -1.218 0.472 254 2HB CYS 37 2HB CYS 37 1.402 0.162 1.546 255 H PHE 38 H PHE 38 -0.964 1.440 2.412 256 HA PHE 38 HA PHE 38 -1.426 3.048 -0.002 257 1HB PHE 38 1HB PHE 38 -3.459 2.703 1.388 258 2HB PHE 38 2HB PHE 38 -2.573 3.090 2.849 259 HD1 PHE 38 HD1 PHE 38 -4.185 4.463 -0.133 260 HD2 PHE 38 HD2 PHE 38 -2.065 5.396 3.423 261 HE1 PHE 38 HE1 PHE 38 -4.874 6.867 -0.353 262 HE2 PHE 38 HE2 PHE 38 -2.754 7.800 3.203 263 HZ PHE 38 HZ PHE 38 -4.150 8.506 1.318 264 H ASP 39 H ASP 39 -1.200 5.546 0.645 265 HA ASP 39 HA ASP 39 0.534 6.230 2.674 266 1HB ASP 39 1HB ASP 39 2.318 5.074 1.546 267 2HB ASP 39 2HB ASP 39 1.813 5.663 -0.026 268 H SER 40 H SER 40 0.717 8.567 2.719 269 HA SER 40 HA SER 40 -0.234 9.923 0.334 270 1HB SER 40 1HB SER 40 -1.710 11.367 1.675 271 2HB SER 40 2HB SER 40 -2.175 9.687 1.850 272 HG SER 40 HG SER 40 -0.984 11.448 3.744 273 H ARG 41 H ARG 41 2.382 9.418 1.972 274 HA ARG 41 HA ARG 41 3.029 11.862 3.146 275 1HB ARG 41 1HB ARG 41 4.167 9.362 3.096 276 2HB ARG 41 2HB ARG 41 5.234 10.193 1.982 277 1HG ARG 41 1HG ARG 41 4.747 11.907 4.279 278 2HG ARG 41 2HG ARG 41 5.240 10.323 4.844 279 1HD ARG 41 1HD ARG 41 6.771 11.680 2.598 280 2HD ARG 41 2HD ARG 41 7.090 12.113 4.265 281 HE ARG 41 HE ARG 41 7.133 9.289 4.165 282 1HH1 ARG 41 1HH1 ARG 41 8.944 11.964 2.771 283 2HH1 ARG 41 2HH1 ARG 41 10.419 11.065 2.640 284 1HH2 ARG 41 1HH2 ARG 41 9.079 8.102 3.994 285 2HH2 ARG 41 2HH2 ARG 41 10.496 8.854 3.341 286 H ILE 42 H ILE 42 3.213 10.548 -0.163 287 HA ILE 42 HA ILE 42 3.753 13.181 -1.171 288 HB ILE 42 HB ILE 42 5.666 11.849 -2.583 289 1HG1 ILE 42 1HG1 ILE 42 7.165 10.794 -0.907 290 2HG1 ILE 42 2HG1 ILE 42 5.895 10.919 0.294 291 1HG2 ILE 42 1HG2 ILE 42 5.517 14.158 -1.291 292 2HG2 ILE 42 2HG2 ILE 42 6.514 13.282 -0.105 293 3HG2 ILE 42 3HG2 ILE 42 7.077 13.456 -1.785 294 1HD1 ILE 42 1HD1 ILE 42 5.280 9.584 -2.349 295 2HD1 ILE 42 2HD1 ILE 42 6.171 8.687 -1.096 296 3HD1 ILE 42 3HD1 ILE 42 4.540 9.312 -0.754 297 HA PRO 43 HA PRO 43 1.105 11.291 -4.055 298 1HB PRO 43 1HB PRO 43 0.629 13.484 -5.615 299 2HB PRO 43 2HB PRO 43 -0.253 13.149 -4.138 300 1HG PRO 43 1HG PRO 43 1.873 15.147 -4.615 301 2HG PRO 43 2HG PRO 43 0.704 15.078 -3.312 302 1HD PRO 43 1HD PRO 43 3.476 14.358 -3.170 303 2HD PRO 43 2HD PRO 43 2.281 14.179 -1.901 304 H GLY 44 H GLY 44 3.939 13.081 -4.971 305 1HA GLY 44 1HA GLY 44 5.501 12.590 -6.522 306 2HA GLY 44 2HA GLY 44 4.145 12.557 -7.631 307 H VAL 45 H VAL 45 4.271 10.243 -4.945 308 HA VAL 45 HA VAL 45 5.166 8.174 -6.823 309 HB VAL 45 HB VAL 45 6.188 7.118 -5.108 310 1HG1 VAL 45 1HG1 VAL 45 6.036 9.999 -4.181 311 2HG1 VAL 45 2HG1 VAL 45 7.099 8.787 -3.426 312 3HG1 VAL 45 3HG1 VAL 45 7.314 9.216 -5.141 313 1HG2 VAL 45 1HG2 VAL 45 3.912 8.124 -3.421 314 2HG2 VAL 45 2HG2 VAL 45 4.478 6.459 -3.694 315 3HG2 VAL 45 3HG2 VAL 45 5.405 7.552 -2.639 316 HA PRO 46 HA PRO 46 1.348 6.164 -6.505 317 1HB PRO 46 1HB PRO 46 1.921 3.514 -6.158 318 2HB PRO 46 2HB PRO 46 2.041 4.326 -7.706 319 1HG PRO 46 1HG PRO 46 4.210 3.480 -5.884 320 2HG PRO 46 2HG PRO 46 4.304 3.893 -7.584 321 1HD PRO 46 1HD PRO 46 5.108 5.533 -5.373 322 2HD PRO 46 2HD PRO 46 5.093 5.989 -7.065 323 H TRP 47 H TRP 47 0.481 7.263 -4.714 324 HA TRP 47 HA TRP 47 0.889 6.902 -2.145 325 1HB TRP 47 1HB TRP 47 -1.607 7.247 -3.722 326 2HB TRP 47 2HB TRP 47 -1.785 6.839 -2.027 327 HD1 TRP 47 HD1 TRP 47 1.143 9.109 -3.051 328 HE1 TRP 47 HE1 TRP 47 0.824 11.564 -2.136 329 HE3 TRP 47 HE3 TRP 47 -3.618 8.436 -1.398 330 HZ2 TRP 47 HZ2 TRP 47 -1.335 12.918 -0.852 331 HZ3 TRP 47 HZ3 TRP 47 -4.760 10.376 -0.325 332 HH2 TRP 47 HH2 TRP 47 -3.696 12.557 -0.041 333 H CYS 48 H CYS 48 -1.157 4.652 -4.144 334 HA CYS 48 HA CYS 48 -1.036 2.728 -1.978 335 1HB CYS 48 1HB CYS 48 -3.136 3.367 -3.373 336 2HB CYS 48 2HB CYS 48 -2.457 2.308 -4.593 337 H PHE 49 H PHE 49 0.681 1.321 -1.952 338 HA PHE 49 HA PHE 49 1.615 0.314 -4.530 339 1HB PHE 49 1HB PHE 49 3.974 0.531 -3.435 340 2HB PHE 49 2HB PHE 49 3.231 2.034 -3.946 341 HD1 PHE 49 HD1 PHE 49 3.458 -0.156 -0.930 342 HD2 PHE 49 HD2 PHE 49 3.171 3.795 -2.452 343 HE1 PHE 49 HE1 PHE 49 3.709 0.758 1.394 344 HE2 PHE 49 HE2 PHE 49 3.422 4.709 -0.128 345 HZ PHE 49 HZ PHE 49 3.688 3.179 1.768 346 H LYS 50 H LYS 50 3.066 -1.674 -4.212 347 HA LYS 50 HA LYS 50 1.696 -3.511 -2.597 348 1HB LYS 50 1HB LYS 50 4.381 -3.733 -3.990 349 2HB LYS 50 2HB LYS 50 3.482 -5.074 -3.310 350 1HG LYS 50 1HG LYS 50 1.499 -4.158 -4.823 351 2HG LYS 50 2HG LYS 50 2.783 -3.349 -5.700 352 1HD LYS 50 1HD LYS 50 3.788 -5.945 -5.381 353 2HD LYS 50 2HD LYS 50 2.076 -6.219 -5.633 354 1HE LYS 50 1HE LYS 50 2.840 -4.211 -7.522 355 2HE LYS 50 2HE LYS 50 4.100 -5.428 -7.572 356 1HZ LYS 50 1HZ LYS 50 2.250 -7.077 -7.730 357 2HZ LYS 50 2HZ LYS 50 1.228 -5.829 -7.985 358 3HZ LYS 50 3HZ LYS 50 2.443 -6.117 -9.037 359 HA PRO 51 HA PRO 51 3.822 -3.287 1.151 360 1HB PRO 51 1HB PRO 51 3.901 -5.879 2.014 361 2HB PRO 51 2HB PRO 51 2.473 -4.871 2.137 362 1HG PRO 51 1HG PRO 51 3.031 -7.072 0.244 363 2HG PRO 51 2HG PRO 51 1.490 -6.350 0.665 364 1HD PRO 51 1HD PRO 51 2.999 -5.899 -1.732 365 2HD PRO 51 2HD PRO 51 1.519 -5.091 -1.258 366 H LEU 52 H LEU 52 5.835 -2.728 1.676 367 HA LEU 52 HA LEU 52 7.970 -3.225 0.170 368 1HB LEU 52 1HB LEU 52 8.279 -1.713 1.866 369 2HB LEU 52 2HB LEU 52 7.621 -2.772 3.097 370 HG LEU 52 HG LEU 52 10.281 -3.289 1.751 371 1HD1 LEU 52 1HD1 LEU 52 9.575 -1.337 3.848 372 2HD1 LEU 52 2HD1 LEU 52 10.951 -2.399 4.233 373 3HD1 LEU 52 3HD1 LEU 52 10.979 -1.406 2.755 374 1HD2 LEU 52 1HD2 LEU 52 8.658 -4.725 3.662 375 2HD2 LEU 52 2HD2 LEU 52 10.164 -5.215 2.848 376 3HD2 LEU 52 3HD2 LEU 52 10.233 -4.296 4.371 377 H GLN 53 H GLN 53 9.264 -4.900 -0.427 378 HA GLN 53 HA GLN 53 8.466 -7.481 0.200 379 1HB GLN 53 1HB GLN 53 10.573 -8.150 -0.998 380 2HB GLN 53 2HB GLN 53 9.595 -7.004 -1.893 381 1HG GLN 53 1HG GLN 53 11.509 -5.648 -0.108 382 2HG GLN 53 2HG GLN 53 12.318 -6.720 -1.234 383 2HE2 GLN 53 2HE2 GLN 53 10.864 -3.726 -0.763 384 1HE2 GLN 53 1HE2 GLN 53 10.792 -3.160 -2.398 385 H GLU 54 H GLU 54 8.411 -7.387 2.600 386 HA GLU 54 HA GLU 54 10.468 -6.817 4.223 387 1HB GLU 54 1HB GLU 54 9.317 -8.007 5.892 388 2HB GLU 54 2HB GLU 54 8.049 -7.649 4.737 389 1HG GLU 54 1HG GLU 54 8.567 -9.953 3.671 390 2HG GLU 54 2HG GLU 54 9.542 -10.283 5.090 391 H ALA 55 H ALA 55 12.556 -7.506 4.361 392 HA ALA 55 HA ALA 55 13.176 -10.277 4.320 393 1HB ALA 55 1HB ALA 55 12.999 -10.106 1.937 394 2HB ALA 55 2HB ALA 55 14.738 -10.059 2.315 395 3HB ALA 55 3HB ALA 55 13.873 -8.555 1.915 396 H GLU 56 H GLU 56 14.522 -6.963 3.670 397 HA GLU 56 HA GLU 56 16.919 -7.565 5.007 398 1HB GLU 56 1HB GLU 56 15.636 -5.118 3.828 399 2HB GLU 56 2HB GLU 56 16.940 -4.864 4.971 400 1HG GLU 56 1HG GLU 56 18.337 -6.519 3.598 401 2HG GLU 56 2HG GLU 56 17.060 -6.503 2.399 402 H CYS 57 H CYS 57 14.245 -5.239 5.859 403 HA CYS 57 HA CYS 57 15.151 -5.264 8.591 404 1HB CYS 57 1HB CYS 57 12.927 -3.775 7.187 405 2HB CYS 57 2HB CYS 57 13.248 -3.644 8.905 406 H THR 58 H THR 58 14.725 -7.621 8.915 407 HA THR 58 HA THR 58 12.267 -8.078 10.171 408 HB THR 58 HB THR 58 11.410 -8.086 7.816 409 HG1 THR 58 HG1 THR 58 10.670 -9.606 9.561 410 1HG2 THR 58 1HG2 THR 58 13.773 -9.845 7.444 411 2HG2 THR 58 2HG2 THR 58 12.261 -10.557 6.832 412 3HG2 THR 58 3HG2 THR 58 12.811 -8.977 6.223 413 H PHE 59 H PHE 59 14.633 -8.319 11.268 414 HA PHE 59 HA PHE 59 14.745 -11.000 12.006 415 1HB PHE 59 1HB PHE 59 15.784 -11.249 9.738 416 2HB PHE 59 2HB PHE 59 16.886 -9.929 10.073 417 HD1 PHE 59 HD1 PHE 59 15.910 -13.045 11.901 418 HD2 PHE 59 HD2 PHE 59 19.047 -10.656 10.334 419 HE1 PHE 59 HE1 PHE 59 17.597 -14.678 12.789 420 HE2 PHE 59 HE2 PHE 59 20.734 -12.289 11.222 421 HZ PHE 59 HZ PHE 59 19.989 -14.280 12.439 No H/Q in entry = 421 Start of MODEL 81 1 H GLU 1 H GLU 1 2.153 -11.187 18.497 2 HA GLU 1 HA GLU 1 3.574 -11.232 20.425 3 1HB GLU 1 1HB GLU 1 6.052 -11.194 20.072 4 2HB GLU 1 2HB GLU 1 5.316 -12.699 19.560 5 1HG GLU 1 1HG GLU 1 5.439 -10.626 17.428 6 2HG GLU 1 2HG GLU 1 7.009 -11.151 18.003 7 H GLU 2 H GLU 2 2.170 -9.246 20.013 8 HA GLU 2 HA GLU 2 1.958 -7.087 19.945 9 1HB GLU 2 1HB GLU 2 4.989 -7.181 20.128 10 2HB GLU 2 2HB GLU 2 4.129 -5.656 20.054 11 1HG GLU 2 1HG GLU 2 2.702 -7.083 21.998 12 2HG GLU 2 2HG GLU 2 4.359 -7.574 22.292 13 H TYR 3 H TYR 3 5.055 -7.056 18.084 14 HA TYR 3 HA TYR 3 3.734 -5.685 15.933 15 1HB TYR 3 1HB TYR 3 5.986 -4.999 16.428 16 2HB TYR 3 2HB TYR 3 6.499 -6.637 16.782 17 HD1 TYR 3 HD1 TYR 3 5.206 -4.669 13.852 18 HD2 TYR 3 HD2 TYR 3 7.932 -7.647 15.267 19 HE1 TYR 3 HE1 TYR 3 6.213 -4.864 11.525 20 HE2 TYR 3 HE2 TYR 3 8.930 -7.831 12.936 21 HH TYR 3 HH TYR 3 8.583 -5.594 10.647 22 H VAL 4 H VAL 4 2.469 -6.836 14.542 23 HA VAL 4 HA VAL 4 3.582 -8.688 12.815 24 HB VAL 4 HB VAL 4 3.753 -10.244 14.591 25 1HG1 VAL 4 1HG1 VAL 4 1.424 -8.922 15.608 26 2HG1 VAL 4 2HG1 VAL 4 1.079 -10.663 15.479 27 3HG1 VAL 4 3HG1 VAL 4 2.483 -10.101 16.417 28 1HG2 VAL 4 1HG2 VAL 4 1.305 -10.799 12.889 29 2HG2 VAL 4 2HG2 VAL 4 2.990 -11.269 12.562 30 3HG2 VAL 4 3HG2 VAL 4 2.103 -12.019 13.910 31 H GLY 5 H GLY 5 2.445 -7.000 11.587 32 1HA GLY 5 1HA GLY 5 -0.396 -7.705 11.262 33 2HA GLY 5 2HA GLY 5 0.649 -6.990 10.051 34 H LEU 6 H LEU 6 1.217 -5.644 13.178 35 HA LEU 6 HA LEU 6 -0.585 -3.411 12.546 36 1HB LEU 6 1HB LEU 6 -1.459 -4.004 14.517 37 2HB LEU 6 2HB LEU 6 -0.033 -4.890 15.020 38 HG LEU 6 HG LEU 6 1.073 -2.763 15.631 39 1HD1 LEU 6 1HD1 LEU 6 -1.342 -1.624 14.357 40 2HD1 LEU 6 2HD1 LEU 6 -0.820 -0.846 15.870 41 3HD1 LEU 6 3HD1 LEU 6 0.309 -0.972 14.499 42 1HD2 LEU 6 1HD2 LEU 6 -1.421 -3.756 16.895 43 2HD2 LEU 6 2HD2 LEU 6 0.229 -3.615 17.547 44 3HD2 LEU 6 3HD2 LEU 6 -0.816 -2.177 17.453 45 H SER 7 H SER 7 0.679 -1.998 11.403 46 HA SER 7 HA SER 7 2.273 -0.258 12.459 47 1HB SER 7 1HB SER 7 4.671 -1.214 11.880 48 2HB SER 7 2HB SER 7 3.934 -1.566 13.431 49 HG SER 7 HG SER 7 3.735 -3.652 12.914 50 H ALA 8 H ALA 8 4.343 0.305 10.720 51 HA ALA 8 HA ALA 8 2.976 0.200 8.127 52 1HB ALA 8 1HB ALA 8 4.260 2.284 9.677 53 2HB ALA 8 2HB ALA 8 5.075 2.104 8.104 54 3HB ALA 8 3HB ALA 8 3.324 2.419 8.169 55 H ASN 9 H ASN 9 4.966 -1.743 9.655 56 HA ASN 9 HA ASN 9 7.383 -1.740 8.462 57 1HB ASN 9 1HB ASN 9 6.933 -3.366 10.185 58 2HB ASN 9 2HB ASN 9 5.549 -4.016 9.329 59 2HD2 ASN 9 2HD2 ASN 9 9.034 -3.816 9.475 60 1HD2 ASN 9 1HD2 ASN 9 9.404 -5.178 8.470 61 H GLN 10 H GLN 10 4.292 -3.299 7.339 62 HA GLN 10 HA GLN 10 5.423 -4.314 4.988 63 1HB GLN 10 1HB GLN 10 2.931 -4.524 4.320 64 2HB GLN 10 2HB GLN 10 3.461 -5.401 5.741 65 1HG GLN 10 1HG GLN 10 2.632 -2.668 6.432 66 2HG GLN 10 2HG GLN 10 1.349 -3.527 5.601 67 2HE2 GLN 10 2HE2 GLN 10 2.133 -2.703 8.496 68 1HE2 GLN 10 1HE2 GLN 10 1.748 -4.096 9.450 69 H CYS 11 H CYS 11 3.902 -1.223 5.900 70 HA CYS 11 HA CYS 11 4.212 -0.354 3.120 71 1HB CYS 11 1HB CYS 11 2.591 1.256 5.018 72 2HB CYS 11 2HB CYS 11 2.393 1.001 3.296 73 H ALA 12 H ALA 12 6.540 -0.544 4.594 74 HA ALA 12 HA ALA 12 6.998 2.218 5.499 75 1HB ALA 12 1HB ALA 12 9.053 0.862 6.594 76 2HB ALA 12 2HB ALA 12 7.479 1.035 7.407 77 3HB ALA 12 3HB ALA 12 7.861 -0.458 6.517 78 H VAL 13 H VAL 13 6.999 2.030 2.831 79 HA VAL 13 HA VAL 13 9.723 1.378 2.007 80 HB VAL 13 HB VAL 13 7.783 2.336 0.016 81 1HG1 VAL 13 1HG1 VAL 13 10.010 0.447 0.262 82 2HG1 VAL 13 2HG1 VAL 13 8.649 -0.200 -0.685 83 3HG1 VAL 13 3HG1 VAL 13 9.412 1.337 -1.159 84 1HG2 VAL 13 1HG2 VAL 13 7.200 -0.097 1.715 85 2HG2 VAL 13 2HG2 VAL 13 6.113 1.240 1.266 86 3HG2 VAL 13 3HG2 VAL 13 6.613 0.049 0.040 87 HA PRO 14 HA PRO 14 10.792 5.564 1.873 88 1HB PRO 14 1HB PRO 14 12.882 5.515 0.114 89 2HB PRO 14 2HB PRO 14 13.038 5.061 1.799 90 1HG PRO 14 1HG PRO 14 12.955 3.321 -0.590 91 2HG PRO 14 2HG PRO 14 13.525 2.944 1.024 92 1HD PRO 14 1HD PRO 14 11.030 2.146 -0.145 93 2HD PRO 14 2HD PRO 14 11.551 1.868 1.505 94 H ALA 15 H ALA 15 9.137 4.103 -0.487 95 HA ALA 15 HA ALA 15 7.714 5.099 -1.925 96 1HB ALA 15 1HB ALA 15 9.246 7.645 -2.189 97 2HB ALA 15 2HB ALA 15 7.493 7.374 -2.041 98 3HB ALA 15 3HB ALA 15 8.528 7.314 -0.594 99 H LYS 16 H LYS 16 11.197 4.987 -2.095 100 HA LYS 16 HA LYS 16 11.176 5.191 -4.994 101 1HB LYS 16 1HB LYS 16 13.620 5.093 -4.779 102 2HB LYS 16 2HB LYS 16 12.927 6.378 -3.811 103 1HG LYS 16 1HG LYS 16 14.619 5.198 -2.486 104 2HG LYS 16 2HG LYS 16 13.038 4.912 -1.784 105 1HD LYS 16 1HD LYS 16 12.970 2.674 -2.479 106 2HD LYS 16 2HD LYS 16 14.023 2.951 -3.852 107 1HE LYS 16 1HE LYS 16 15.895 2.480 -2.639 108 2HE LYS 16 2HE LYS 16 15.409 3.538 -1.330 109 1HZ LYS 16 1HZ LYS 16 13.801 1.220 -1.435 110 2HZ LYS 16 2HZ LYS 16 15.381 0.829 -1.296 111 3HZ LYS 16 3HZ LYS 16 14.682 1.810 -0.193 112 H ASP 17 H ASP 17 10.209 2.908 -2.874 113 HA ASP 17 HA ASP 17 11.269 0.798 -4.581 114 1HB ASP 17 1HB ASP 17 11.540 1.122 -1.725 115 2HB ASP 17 2HB ASP 17 10.483 -0.248 -2.003 116 H ARG 18 H ARG 18 8.719 2.546 -4.467 117 HA ARG 18 HA ARG 18 6.694 0.827 -3.516 118 1HB ARG 18 1HB ARG 18 6.330 3.141 -5.473 119 2HB ARG 18 2HB ARG 18 5.156 2.521 -4.329 120 1HG ARG 18 1HG ARG 18 7.805 3.614 -3.333 121 2HG ARG 18 2HG ARG 18 6.507 4.715 -3.746 122 1HD ARG 18 1HD ARG 18 5.171 2.825 -2.200 123 2HD ARG 18 2HD ARG 18 6.746 2.866 -1.431 124 HE ARG 18 HE ARG 18 5.540 5.506 -2.006 125 1HH1 ARG 18 1HH1 ARG 18 6.088 2.957 0.358 126 2HH1 ARG 18 2HH1 ARG 18 5.775 3.979 1.722 127 1HH2 ARG 18 1HH2 ARG 18 5.126 6.854 -0.207 128 2HH2 ARG 18 2HH2 ARG 18 5.224 6.210 1.397 129 H VAL 19 H VAL 19 5.492 -0.713 -4.656 130 HA VAL 19 HA VAL 19 6.412 -1.282 -7.349 131 HB VAL 19 HB VAL 19 4.452 -2.836 -5.664 132 1HG1 VAL 19 1HG1 VAL 19 6.187 -3.460 -8.058 133 2HG1 VAL 19 2HG1 VAL 19 5.553 -4.743 -7.000 134 3HG1 VAL 19 3HG1 VAL 19 4.429 -3.666 -7.863 135 1HG2 VAL 19 1HG2 VAL 19 6.537 -2.398 -4.373 136 2HG2 VAL 19 2HG2 VAL 19 6.292 -4.119 -4.755 137 3HG2 VAL 19 3HG2 VAL 19 7.470 -3.160 -5.683 138 H ASP 20 H ASP 20 4.283 0.859 -6.082 139 HA ASP 20 HA ASP 20 2.384 1.752 -6.677 140 1HB ASP 20 1HB ASP 20 3.948 2.218 -8.658 141 2HB ASP 20 2HB ASP 20 3.165 0.896 -9.501 142 H CYS 21 H CYS 21 0.713 0.385 -5.857 143 HA CYS 21 HA CYS 21 0.092 -2.105 -6.945 144 1HB CYS 21 1HB CYS 21 -0.636 -0.670 -4.710 145 2HB CYS 21 2HB CYS 21 -2.126 -0.702 -5.633 146 H GLY 22 H GLY 22 -0.544 1.184 -7.940 147 1HA GLY 22 1HA GLY 22 -1.676 0.453 -10.392 148 2HA GLY 22 2HA GLY 22 -1.660 2.056 -9.684 149 H TYR 23 H TYR 23 -3.353 2.542 -7.962 150 HA TYR 23 HA TYR 23 -5.866 1.323 -8.811 151 1HB TYR 23 1HB TYR 23 -4.480 0.636 -6.458 152 2HB TYR 23 2HB TYR 23 -5.507 1.938 -5.891 153 HD1 TYR 23 HD1 TYR 23 -5.823 -1.142 -8.026 154 HD2 TYR 23 HD2 TYR 23 -7.556 1.335 -4.997 155 HE1 TYR 23 HE1 TYR 23 -7.767 -2.764 -7.801 156 HE2 TYR 23 HE2 TYR 23 -9.494 -0.296 -4.783 157 HH TYR 23 HH TYR 23 -9.429 -3.390 -6.360 158 HA PRO 24 HA PRO 24 -7.080 5.478 -8.597 159 1HB PRO 24 1HB PRO 24 -9.787 5.189 -8.838 160 2HB PRO 24 2HB PRO 24 -8.694 5.156 -10.207 161 1HG PRO 24 1HG PRO 24 -10.091 2.904 -8.897 162 2HG PRO 24 2HG PRO 24 -9.353 2.963 -10.485 163 1HD PRO 24 1HD PRO 24 -8.277 1.713 -8.139 164 2HD PRO 24 2HD PRO 24 -7.489 1.873 -9.696 165 H HIS 25 H HIS 25 -9.816 3.963 -7.001 166 HA HIS 25 HA HIS 25 -9.786 5.921 -4.992 167 1HB HIS 25 1HB HIS 25 -11.783 5.062 -4.436 168 2HB HIS 25 2HB HIS 25 -11.626 4.191 -5.949 169 HD1 HIS 25 HD1 HIS 25 -12.382 3.619 -2.496 170 HD2 HIS 25 HD2 HIS 25 -10.255 1.503 -5.428 171 HE1 HIS 25 HE1 HIS 25 -12.252 1.204 -1.682 172 HE2 HIS 25 HE2 HIS 25 -10.982 -0.059 -3.550 173 H VAL 26 H VAL 26 -7.884 6.074 -3.818 174 HA VAL 26 HA VAL 26 -7.194 3.661 -2.293 175 HB VAL 26 HB VAL 26 -4.836 4.509 -2.380 176 1HG1 VAL 26 1HG1 VAL 26 -6.294 3.523 -4.830 177 2HG1 VAL 26 2HG1 VAL 26 -4.534 3.789 -4.853 178 3HG1 VAL 26 3HG1 VAL 26 -5.244 2.627 -3.706 179 1HG2 VAL 26 1HG2 VAL 26 -6.028 6.353 -4.471 180 2HG2 VAL 26 2HG2 VAL 26 -5.129 6.799 -3.000 181 3HG2 VAL 26 3HG2 VAL 26 -4.288 5.995 -4.348 182 H THR 27 H THR 27 -7.417 3.941 -0.136 183 HA THR 27 HA THR 27 -7.163 6.690 0.886 184 HB THR 27 HB THR 27 -9.171 6.415 2.144 185 HG1 THR 27 HG1 THR 27 -8.647 3.615 1.460 186 1HG2 THR 27 1HG2 THR 27 -9.627 4.734 -0.378 187 2HG2 THR 27 2HG2 THR 27 -10.902 5.477 0.617 188 3HG2 THR 27 3HG2 THR 27 -9.771 6.506 -0.293 189 HA PRO 28 HA PRO 28 -4.666 5.051 3.970 190 1HB PRO 28 1HB PRO 28 -5.388 6.364 6.256 191 2HB PRO 28 2HB PRO 28 -4.386 7.085 5.012 192 1HG PRO 28 1HG PRO 28 -7.234 7.591 5.622 193 2HG PRO 28 2HG PRO 28 -6.118 8.575 4.696 194 1HD PRO 28 1HD PRO 28 -8.182 6.879 3.653 195 2HD PRO 28 2HD PRO 28 -6.992 7.773 2.727 196 H LYS 29 H LYS 29 -6.868 3.390 3.346 197 HA LYS 29 HA LYS 29 -6.631 1.570 5.420 198 1HB LYS 29 1HB LYS 29 -8.087 3.497 6.472 199 2HB LYS 29 2HB LYS 29 -9.384 2.762 5.553 200 1HG LYS 29 1HG LYS 29 -7.686 0.820 7.044 201 2HG LYS 29 2HG LYS 29 -8.569 1.936 8.065 202 1HD LYS 29 1HD LYS 29 -10.218 0.844 5.862 203 2HD LYS 29 2HD LYS 29 -9.601 -0.400 6.930 204 1HE LYS 29 1HE LYS 29 -11.305 0.121 8.343 205 2HE LYS 29 2HE LYS 29 -10.437 1.597 8.713 206 1HZ LYS 29 1HZ LYS 29 -11.583 2.625 6.830 207 2HZ LYS 29 2HZ LYS 29 -12.453 1.261 6.603 208 3HZ LYS 29 3HZ LYS 29 -12.620 2.116 7.984 209 H GLU 30 H GLU 30 -9.006 2.927 3.039 210 HA GLU 30 HA GLU 30 -10.015 0.439 2.329 211 1HB GLU 30 1HB GLU 30 -10.753 2.990 1.826 212 2HB GLU 30 2HB GLU 30 -9.953 2.656 0.303 213 1HG GLU 30 1HG GLU 30 -12.327 2.079 0.105 214 2HG GLU 30 2HG GLU 30 -11.371 0.614 0.006 215 H CYS 31 H CYS 31 -7.269 2.405 1.104 216 HA CYS 31 HA CYS 31 -6.782 0.871 -1.175 217 1HB CYS 31 1HB CYS 31 -5.691 2.848 -1.314 218 2HB CYS 31 2HB CYS 31 -5.333 2.914 0.400 219 H ASN 32 H ASN 32 -5.764 0.656 2.270 220 HA ASN 32 HA ASN 32 -4.047 -1.555 1.695 221 1HB ASN 32 1HB ASN 32 -3.315 -0.115 3.489 222 2HB ASN 32 2HB ASN 32 -4.901 -0.095 4.232 223 2HD2 ASN 32 2HD2 ASN 32 -5.095 -1.254 5.976 224 1HD2 ASN 32 1HD2 ASN 32 -4.239 -2.704 6.383 225 H ASN 33 H ASN 33 -7.358 -1.125 1.879 226 HA ASN 33 HA ASN 33 -7.856 -3.523 3.413 227 1HB ASN 33 1HB ASN 33 -9.279 -1.476 3.782 228 2HB ASN 33 2HB ASN 33 -9.793 -1.538 2.107 229 2HD2 ASN 33 2HD2 ASN 33 -11.923 -1.853 2.498 230 1HD2 ASN 33 1HD2 ASN 33 -12.600 -3.298 3.174 231 H ARG 34 H ARG 34 -7.996 -2.096 0.127 232 HA ARG 34 HA ARG 34 -9.514 -4.104 -1.041 233 1HB ARG 34 1HB ARG 34 -8.596 -1.684 -1.873 234 2HB ARG 34 2HB ARG 34 -7.398 -2.693 -2.660 235 1HG ARG 34 1HG ARG 34 -9.434 -2.213 -4.088 236 2HG ARG 34 2HG ARG 34 -9.095 -3.920 -3.884 237 1HD ARG 34 1HD ARG 34 -10.871 -2.807 -1.777 238 2HD ARG 34 2HD ARG 34 -11.550 -2.703 -3.389 239 HE ARG 34 HE ARG 34 -10.408 -5.322 -2.964 240 1HH1 ARG 34 1HH1 ARG 34 -13.193 -3.347 -2.113 241 2HH1 ARG 34 2HH1 ARG 34 -14.240 -4.705 -1.864 242 1HH2 ARG 34 1HH2 ARG 34 -11.788 -7.113 -2.636 243 2HH2 ARG 34 2HH2 ARG 34 -13.435 -6.861 -2.163 244 H GLY 35 H GLY 35 -6.202 -3.964 0.056 245 1HA GLY 35 1HA GLY 35 -5.602 -6.470 -1.401 246 2HA GLY 35 2HA GLY 35 -5.158 -6.168 0.267 247 H CYS 36 H CYS 36 -3.788 -4.076 0.642 248 HA CYS 36 HA CYS 36 -1.413 -4.339 -0.671 249 1HB CYS 36 1HB CYS 36 -3.178 -3.106 -2.417 250 2HB CYS 36 2HB CYS 36 -2.298 -1.759 -1.723 251 H CYS 37 H CYS 37 -0.744 -1.411 -0.663 252 HA CYS 37 HA CYS 37 -1.304 -0.806 2.145 253 1HB CYS 37 1HB CYS 37 1.336 -1.037 0.772 254 2HB CYS 37 2HB CYS 37 1.138 0.227 1.969 255 H PHE 38 H PHE 38 -1.305 1.530 2.603 256 HA PHE 38 HA PHE 38 -1.640 3.108 0.149 257 1HB PHE 38 1HB PHE 38 -3.715 2.789 1.489 258 2HB PHE 38 2HB PHE 38 -2.871 3.215 2.965 259 HD1 PHE 38 HD1 PHE 38 -4.352 4.519 -0.123 260 HD2 PHE 38 HD2 PHE 38 -2.422 5.525 3.520 261 HE1 PHE 38 HE1 PHE 38 -5.032 6.916 -0.425 262 HE2 PHE 38 HE2 PHE 38 -3.103 7.922 3.219 263 HZ PHE 38 HZ PHE 38 -4.399 8.589 1.250 264 H ASP 39 H ASP 39 -1.441 5.623 0.788 265 HA ASP 39 HA ASP 39 0.192 6.376 2.844 266 1HB ASP 39 1HB ASP 39 1.979 5.047 1.826 267 2HB ASP 39 2HB ASP 39 1.678 5.757 0.253 268 H SER 40 H SER 40 0.303 8.695 2.813 269 HA SER 40 HA SER 40 -0.462 9.922 0.284 270 1HB SER 40 1HB SER 40 -1.930 11.481 1.465 271 2HB SER 40 2HB SER 40 -2.420 9.836 1.825 272 HG SER 40 HG SER 40 -1.826 10.054 3.901 273 H ARG 41 H ARG 41 2.120 9.445 1.964 274 HA ARG 41 HA ARG 41 2.875 11.848 3.078 275 1HB ARG 41 1HB ARG 41 3.985 9.388 2.991 276 2HB ARG 41 2HB ARG 41 4.928 10.109 1.702 277 1HG ARG 41 1HG ARG 41 5.076 12.094 3.614 278 2HG ARG 41 2HG ARG 41 4.981 10.670 4.631 279 1HD ARG 41 1HD ARG 41 6.938 9.677 3.572 280 2HD ARG 41 2HD ARG 41 6.943 10.885 2.303 281 HE ARG 41 HE ARG 41 8.056 12.350 3.743 282 1HH1 ARG 41 1HH1 ARG 41 6.527 9.820 5.652 283 2HH1 ARG 41 2HH1 ARG 41 7.247 10.333 7.142 284 1HH2 ARG 41 1HH2 ARG 41 9.005 13.027 5.708 285 2HH2 ARG 41 2HH2 ARG 41 8.666 12.169 7.174 286 H ILE 42 H ILE 42 3.394 10.470 -0.239 287 HA ILE 42 HA ILE 42 3.651 13.187 -1.238 288 HB ILE 42 HB ILE 42 5.611 11.926 -2.666 289 1HG1 ILE 42 1HG1 ILE 42 7.157 10.950 -0.984 290 2HG1 ILE 42 2HG1 ILE 42 5.884 11.027 0.217 291 1HG2 ILE 42 1HG2 ILE 42 5.483 14.248 -1.638 292 2HG2 ILE 42 2HG2 ILE 42 6.161 13.522 -0.161 293 3HG2 ILE 42 3HG2 ILE 42 7.087 13.477 -1.681 294 1HD1 ILE 42 1HD1 ILE 42 5.027 9.733 -2.307 295 2HD1 ILE 42 2HD1 ILE 42 6.346 8.879 -1.469 296 3HD1 ILE 42 3HD1 ILE 42 4.812 9.196 -0.623 297 HA PRO 43 HA PRO 43 1.152 11.341 -4.252 298 1HB PRO 43 1HB PRO 43 1.009 13.413 -6.029 299 2HB PRO 43 2HB PRO 43 0.006 13.309 -4.596 300 1HG PRO 43 1HG PRO 43 2.356 15.032 -5.091 301 2HG PRO 43 2HG PRO 43 1.107 15.203 -3.874 302 1HD PRO 43 1HD PRO 43 3.774 14.227 -3.470 303 2HD PRO 43 2HD PRO 43 2.489 14.289 -2.280 304 H GLY 44 H GLY 44 4.132 12.880 -5.247 305 1HA GLY 44 1HA GLY 44 5.765 12.004 -6.562 306 2HA GLY 44 2HA GLY 44 4.497 12.090 -7.769 307 H VAL 45 H VAL 45 4.981 9.932 -4.881 308 HA VAL 45 HA VAL 45 5.384 7.677 -6.641 309 HB VAL 45 HB VAL 45 6.208 6.598 -4.815 310 1HG1 VAL 45 1HG1 VAL 45 7.137 9.090 -5.151 311 2HG1 VAL 45 2HG1 VAL 45 6.568 9.236 -3.470 312 3HG1 VAL 45 3HG1 VAL 45 7.766 7.991 -3.900 313 1HG2 VAL 45 1HG2 VAL 45 4.125 8.099 -3.246 314 2HG2 VAL 45 2HG2 VAL 45 4.410 6.347 -3.369 315 3HG2 VAL 45 3HG2 VAL 45 5.512 7.362 -2.410 316 HA PRO 46 HA PRO 46 1.377 6.079 -6.340 317 1HB PRO 46 1HB PRO 46 1.696 3.393 -5.949 318 2HB PRO 46 2HB PRO 46 1.900 4.166 -7.508 319 1HG PRO 46 1HG PRO 46 3.969 3.148 -5.658 320 2HG PRO 46 2HG PRO 46 4.111 3.524 -7.364 321 1HD PRO 46 1HD PRO 46 5.054 5.116 -5.173 322 2HD PRO 46 2HD PRO 46 5.091 5.544 -6.871 323 H TRP 47 H TRP 47 0.406 7.161 -4.656 324 HA TRP 47 HA TRP 47 0.796 6.916 -2.055 325 1HB TRP 47 1HB TRP 47 -1.668 7.250 -3.685 326 2HB TRP 47 2HB TRP 47 -1.877 6.922 -1.976 327 HD1 TRP 47 HD1 TRP 47 1.105 9.085 -3.088 328 HE1 TRP 47 HE1 TRP 47 0.836 11.582 -2.276 329 HE3 TRP 47 HE3 TRP 47 -3.665 8.576 -1.402 330 HZ2 TRP 47 HZ2 TRP 47 -1.294 13.031 -1.048 331 HZ3 TRP 47 HZ3 TRP 47 -4.767 10.580 -0.410 332 HH2 TRP 47 HH2 TRP 47 -3.659 12.751 -0.219 333 H CYS 48 H CYS 48 -1.142 4.592 -4.063 334 HA CYS 48 HA CYS 48 -1.139 2.763 -1.801 335 1HB CYS 48 1HB CYS 48 -3.230 3.361 -3.161 336 2HB CYS 48 2HB CYS 48 -2.554 2.360 -4.432 337 H PHE 49 H PHE 49 0.786 1.620 -1.721 338 HA PHE 49 HA PHE 49 1.692 0.460 -4.262 339 1HB PHE 49 1HB PHE 49 3.995 0.605 -3.024 340 2HB PHE 49 2HB PHE 49 3.323 2.123 -3.586 341 HD1 PHE 49 HD1 PHE 49 3.389 -0.051 -0.557 342 HD2 PHE 49 HD2 PHE 49 3.137 3.893 -2.103 343 HE1 PHE 49 HE1 PHE 49 3.520 0.871 1.774 344 HE2 PHE 49 HE2 PHE 49 3.268 4.815 0.228 345 HZ PHE 49 HZ PHE 49 3.458 3.292 2.139 346 H LYS 50 H LYS 50 3.099 -1.557 -3.892 347 HA LYS 50 HA LYS 50 1.610 -3.357 -2.299 348 1HB LYS 50 1HB LYS 50 4.187 -3.634 -3.866 349 2HB LYS 50 2HB LYS 50 3.419 -4.968 -3.030 350 1HG LYS 50 1HG LYS 50 1.282 -3.871 -4.435 351 2HG LYS 50 2HG LYS 50 2.615 -3.599 -5.540 352 1HD LYS 50 1HD LYS 50 3.033 -6.231 -4.623 353 2HD LYS 50 2HD LYS 50 1.293 -6.124 -4.797 354 1HE LYS 50 1HE LYS 50 2.336 -4.839 -7.106 355 2HE LYS 50 2HE LYS 50 3.352 -6.249 -6.878 356 1HZ LYS 50 1HZ LYS 50 1.221 -7.507 -6.618 357 2HZ LYS 50 2HZ LYS 50 0.439 -6.185 -7.172 358 3HZ LYS 50 3HZ LYS 50 1.530 -6.945 -8.119 359 HA PRO 51 HA PRO 51 3.849 -3.299 1.390 360 1HB PRO 51 1HB PRO 51 3.870 -5.910 2.199 361 2HB PRO 51 2HB PRO 51 2.477 -4.861 2.381 362 1HG PRO 51 1HG PRO 51 2.916 -7.039 0.430 363 2HG PRO 51 2HG PRO 51 1.411 -6.279 0.907 364 1HD PRO 51 1HD PRO 51 2.868 -5.824 -1.521 365 2HD PRO 51 2HD PRO 51 1.426 -4.982 -0.991 366 H LEU 52 H LEU 52 5.891 -2.740 1.756 367 HA LEU 52 HA LEU 52 7.961 -3.296 0.219 368 1HB LEU 52 1HB LEU 52 8.320 -1.815 1.952 369 2HB LEU 52 2HB LEU 52 7.749 -2.929 3.179 370 HG LEU 52 HG LEU 52 10.215 -3.726 1.715 371 1HD1 LEU 52 1HD1 LEU 52 10.066 -1.105 2.600 372 2HD1 LEU 52 2HD1 LEU 52 10.863 -1.958 3.943 373 3HD1 LEU 52 3HD1 LEU 52 11.550 -2.043 2.303 374 1HD2 LEU 52 1HD2 LEU 52 8.908 -4.819 3.768 375 2HD2 LEU 52 2HD2 LEU 52 10.675 -4.931 3.585 376 3HD2 LEU 52 3HD2 LEU 52 9.969 -3.720 4.683 377 H GLN 53 H GLN 53 8.784 -5.102 -0.676 378 HA GLN 53 HA GLN 53 8.301 -7.592 0.682 379 1HB GLN 53 1HB GLN 53 8.953 -8.645 -1.407 380 2HB GLN 53 2HB GLN 53 7.862 -7.324 -1.775 381 1HG GLN 53 1HG GLN 53 10.679 -6.448 -1.697 382 2HG GLN 53 2HG GLN 53 10.417 -7.720 -2.874 383 2HE2 GLN 53 2HE2 GLN 53 10.306 -4.458 -2.301 384 1HE2 GLN 53 1HE2 GLN 53 9.312 -3.929 -3.616 385 H GLU 54 H GLU 54 10.168 -5.714 1.927 386 HA GLU 54 HA GLU 54 12.651 -7.191 1.520 387 1HB GLU 54 1HB GLU 54 12.188 -4.414 1.431 388 2HB GLU 54 2HB GLU 54 12.921 -4.670 3.002 389 1HG GLU 54 1HG GLU 54 14.927 -5.478 2.101 390 2HG GLU 54 2HG GLU 54 14.161 -6.080 0.644 391 H ALA 55 H ALA 55 10.657 -8.379 3.080 392 HA ALA 55 HA ALA 55 11.681 -7.926 5.800 393 1HB ALA 55 1HB ALA 55 8.921 -8.313 4.706 394 2HB ALA 55 2HB ALA 55 9.480 -7.317 6.072 395 3HB ALA 55 3HB ALA 55 9.300 -9.077 6.268 396 H GLU 56 H GLU 56 12.275 -9.762 7.002 397 HA GLU 56 HA GLU 56 11.617 -12.325 6.457 398 1HB GLU 56 1HB GLU 56 13.674 -11.312 4.586 399 2HB GLU 56 2HB GLU 56 14.162 -12.772 5.422 400 1HG GLU 56 1HG GLU 56 12.686 -14.062 4.257 401 2HG GLU 56 2HG GLU 56 11.367 -12.938 4.522 402 H CYS 57 H CYS 57 12.620 -13.764 7.966 403 HA CYS 57 HA CYS 57 13.504 -12.750 10.278 404 1HB CYS 57 1HB CYS 57 14.169 -14.899 10.909 405 2HB CYS 57 2HB CYS 57 12.879 -15.133 9.747 406 H THR 58 H THR 58 15.421 -11.886 11.091 407 HA THR 58 HA THR 58 17.960 -12.453 10.036 408 HB THR 58 HB THR 58 17.100 -11.141 8.089 409 HG1 THR 58 HG1 THR 58 19.217 -10.510 8.249 410 1HG2 THR 58 1HG2 THR 58 15.519 -9.660 9.493 411 2HG2 THR 58 2HG2 THR 58 16.972 -8.793 10.044 412 3HG2 THR 58 3HG2 THR 58 16.534 -8.790 8.318 413 H PHE 59 H PHE 59 15.923 -9.901 11.590 414 HA PHE 59 HA PHE 59 17.880 -8.788 13.153 415 1HB PHE 59 1HB PHE 59 15.964 -7.962 14.419 416 2HB PHE 59 2HB PHE 59 15.383 -8.173 12.779 417 HD1 PHE 59 HD1 PHE 59 15.252 -9.479 16.197 418 HD2 PHE 59 HD2 PHE 59 13.793 -9.919 12.237 419 HE1 PHE 59 HE1 PHE 59 13.416 -10.970 17.039 420 HE2 PHE 59 HE2 PHE 59 11.957 -11.410 13.078 421 HZ PHE 59 HZ PHE 59 11.791 -11.918 15.469 No H/Q in entry = 421 Start of MODEL 82 1 H GLU 1 H GLU 1 8.303 -14.443 16.326 2 HA GLU 1 HA GLU 1 6.748 -16.326 17.060 3 1HB GLU 1 1HB GLU 1 6.292 -13.451 16.638 4 2HB GLU 1 2HB GLU 1 4.792 -14.357 16.620 5 1HG GLU 1 1HG GLU 1 4.933 -14.134 18.902 6 2HG GLU 1 2HG GLU 1 5.978 -15.535 18.775 7 H GLU 2 H GLU 2 5.015 -14.302 14.641 8 HA GLU 2 HA GLU 2 4.756 -16.454 12.821 9 1HB GLU 2 1HB GLU 2 3.025 -16.698 14.907 10 2HB GLU 2 2HB GLU 2 2.075 -15.641 13.882 11 1HG GLU 2 1HG GLU 2 3.394 -18.082 12.667 12 2HG GLU 2 2HG GLU 2 1.921 -18.280 13.597 13 H TYR 3 H TYR 3 5.606 -13.592 12.980 14 HA TYR 3 HA TYR 3 5.440 -11.721 11.804 15 1HB TYR 3 1HB TYR 3 5.513 -12.944 9.760 16 2HB TYR 3 2HB TYR 3 4.098 -13.892 10.172 17 HD1 TYR 3 HD1 TYR 3 4.902 -10.276 9.510 18 HD2 TYR 3 HD2 TYR 3 2.236 -13.556 8.842 19 HE1 TYR 3 HE1 TYR 3 3.474 -8.817 7.994 20 HE2 TYR 3 HE2 TYR 3 0.818 -12.086 7.330 21 HH TYR 3 HH TYR 3 1.556 -9.795 5.839 22 H VAL 4 H VAL 4 4.153 -9.831 11.532 23 HA VAL 4 HA VAL 4 1.340 -9.919 11.588 24 HB VAL 4 HB VAL 4 2.795 -9.763 14.169 25 1HG1 VAL 4 1HG1 VAL 4 0.562 -7.887 13.402 26 2HG1 VAL 4 2HG1 VAL 4 0.759 -8.439 15.082 27 3HG1 VAL 4 3HG1 VAL 4 2.072 -7.544 14.280 28 1HG2 VAL 4 1HG2 VAL 4 0.433 -11.074 13.008 29 2HG2 VAL 4 2HG2 VAL 4 1.497 -11.591 14.338 30 3HG2 VAL 4 3HG2 VAL 4 0.170 -10.446 14.652 31 H GLY 5 H GLY 5 1.356 -8.414 9.943 32 1HA GLY 5 1HA GLY 5 2.070 -6.529 8.821 33 2HA GLY 5 2HA GLY 5 3.024 -6.038 10.207 34 H LEU 6 H LEU 6 2.190 -4.563 11.675 35 HA LEU 6 HA LEU 6 -0.642 -3.875 11.292 36 1HB LEU 6 1HB LEU 6 -0.658 -3.183 13.639 37 2HB LEU 6 2HB LEU 6 -0.360 -4.896 13.427 38 HG LEU 6 HG LEU 6 2.193 -4.039 13.578 39 1HD1 LEU 6 1HD1 LEU 6 0.731 -1.731 14.273 40 2HD1 LEU 6 2HD1 LEU 6 1.413 -2.369 15.788 41 3HD1 LEU 6 3HD1 LEU 6 2.484 -2.006 14.413 42 1HD2 LEU 6 1HD2 LEU 6 0.557 -5.614 15.065 43 2HD2 LEU 6 2HD2 LEU 6 2.253 -5.254 15.469 44 3HD2 LEU 6 3HD2 LEU 6 0.940 -4.330 16.236 45 H SER 7 H SER 7 2.601 -2.593 12.305 46 HA SER 7 HA SER 7 1.727 0.052 11.691 47 1HB SER 7 1HB SER 7 4.420 0.300 12.075 48 2HB SER 7 2HB SER 7 3.248 0.286 13.378 49 HG SER 7 HG SER 7 4.599 -1.305 14.027 50 H ALA 8 H ALA 8 3.970 1.243 10.495 51 HA ALA 8 HA ALA 8 3.571 1.038 7.864 52 1HB ALA 8 1HB ALA 8 5.138 2.639 8.010 53 2HB ALA 8 2HB ALA 8 5.609 2.066 9.629 54 3HB ALA 8 3HB ALA 8 6.381 1.377 8.181 55 H ASN 9 H ASN 9 6.676 -0.374 9.017 56 HA ASN 9 HA ASN 9 7.829 -2.024 8.138 57 1HB ASN 9 1HB ASN 9 5.226 -3.243 9.093 58 2HB ASN 9 2HB ASN 9 6.375 -4.293 8.289 59 2HD2 ASN 9 2HD2 ASN 9 7.854 -5.221 9.477 60 1HD2 ASN 9 1HD2 ASN 9 8.419 -4.717 11.035 61 H GLN 10 H GLN 10 4.788 -3.629 7.132 62 HA GLN 10 HA GLN 10 5.623 -4.294 4.655 63 1HB GLN 10 1HB GLN 10 2.710 -3.633 5.005 64 2HB GLN 10 2HB GLN 10 3.448 -5.052 4.289 65 1HG GLN 10 1HG GLN 10 4.342 -5.484 6.760 66 2HG GLN 10 2HG GLN 10 3.038 -4.407 7.219 67 2HE2 GLN 10 2HE2 GLN 10 0.980 -5.079 7.197 68 1HE2 GLN 10 1HE2 GLN 10 0.444 -6.665 6.755 69 H CYS 11 H CYS 11 3.998 -1.270 5.724 70 HA CYS 11 HA CYS 11 4.300 -0.264 2.992 71 1HB CYS 11 1HB CYS 11 2.711 1.253 4.990 72 2HB CYS 11 2HB CYS 11 2.471 1.059 3.265 73 H ALA 12 H ALA 12 6.649 -0.514 4.474 74 HA ALA 12 HA ALA 12 7.109 2.222 5.449 75 1HB ALA 12 1HB ALA 12 9.110 0.204 6.175 76 2HB ALA 12 2HB ALA 12 7.481 -0.215 6.755 77 3HB ALA 12 3HB ALA 12 8.213 1.342 7.209 78 H VAL 13 H VAL 13 7.047 1.915 2.714 79 HA VAL 13 HA VAL 13 9.761 1.359 1.848 80 HB VAL 13 HB VAL 13 7.760 2.418 -0.045 81 1HG1 VAL 13 1HG1 VAL 13 10.012 0.526 0.027 82 2HG1 VAL 13 2HG1 VAL 13 8.638 -0.022 -0.962 83 3HG1 VAL 13 3HG1 VAL 13 9.409 1.546 -1.301 84 1HG2 VAL 13 1HG2 VAL 13 7.234 -0.011 1.639 85 2HG2 VAL 13 2HG2 VAL 13 6.104 1.222 1.032 86 3HG2 VAL 13 3HG2 VAL 13 6.749 -0.015 -0.073 87 HA PRO 14 HA PRO 14 10.902 5.527 1.829 88 1HB PRO 14 1HB PRO 14 12.923 5.520 -0.010 89 2HB PRO 14 2HB PRO 14 13.134 4.990 1.647 90 1HG PRO 14 1HG PRO 14 12.929 3.357 -0.808 91 2HG PRO 14 2HG PRO 14 13.553 2.901 0.765 92 1HD PRO 14 1HD PRO 14 11.001 2.196 -0.340 93 2HD PRO 14 2HD PRO 14 11.579 1.839 1.275 94 H ALA 15 H ALA 15 9.102 4.214 -0.494 95 HA ALA 15 HA ALA 15 7.653 5.291 -1.840 96 1HB ALA 15 1HB ALA 15 8.624 7.439 -0.460 97 2HB ALA 15 2HB ALA 15 7.452 7.559 -1.794 98 3HB ALA 15 3HB ALA 15 9.185 7.822 -2.106 99 H LYS 16 H LYS 16 11.170 5.363 -2.181 100 HA LYS 16 HA LYS 16 10.985 5.570 -5.064 101 1HB LYS 16 1HB LYS 16 13.415 5.607 -4.999 102 2HB LYS 16 2HB LYS 16 12.753 6.780 -3.878 103 1HG LYS 16 1HG LYS 16 14.298 5.791 -2.465 104 2HG LYS 16 2HG LYS 16 12.942 4.726 -2.151 105 1HD LYS 16 1HD LYS 16 14.267 2.999 -2.795 106 2HD LYS 16 2HD LYS 16 14.134 3.602 -4.436 107 1HE LYS 16 1HE LYS 16 16.209 4.730 -4.342 108 2HE LYS 16 2HE LYS 16 16.186 4.849 -2.594 109 1HZ LYS 16 1HZ LYS 16 16.329 2.239 -3.899 110 2HZ LYS 16 2HZ LYS 16 17.678 3.127 -3.660 111 3HZ LYS 16 3HZ LYS 16 16.780 2.646 -2.383 112 H ASP 17 H ASP 17 10.145 3.220 -2.997 113 HA ASP 17 HA ASP 17 11.171 1.183 -4.804 114 1HB ASP 17 1HB ASP 17 11.725 1.450 -2.001 115 2HB ASP 17 2HB ASP 17 10.627 0.094 -2.162 116 H ARG 18 H ARG 18 8.591 2.824 -4.487 117 HA ARG 18 HA ARG 18 6.699 1.055 -3.376 118 1HB ARG 18 1HB ARG 18 6.147 3.350 -5.315 119 2HB ARG 18 2HB ARG 18 5.045 2.685 -4.126 120 1HG ARG 18 1HG ARG 18 7.700 3.859 -3.239 121 2HG ARG 18 2HG ARG 18 6.348 4.918 -3.585 122 1HD ARG 18 1HD ARG 18 5.192 2.916 -1.989 123 2HD ARG 18 2HD ARG 18 6.778 3.128 -1.274 124 HE ARG 18 HE ARG 18 5.307 5.625 -1.861 125 1HH1 ARG 18 1HH1 ARG 18 6.158 3.191 0.534 126 2HH1 ARG 18 2HH1 ARG 18 5.784 4.207 1.886 127 1HH2 ARG 18 1HH2 ARG 18 4.813 6.965 -0.077 128 2HH2 ARG 18 2HH2 ARG 18 5.014 6.368 1.536 129 H VAL 19 H VAL 19 6.013 -0.819 -4.362 130 HA VAL 19 HA VAL 19 6.616 -1.363 -7.064 131 HB VAL 19 HB VAL 19 4.708 -2.760 -5.179 132 1HG1 VAL 19 1HG1 VAL 19 6.008 -3.537 -7.788 133 2HG1 VAL 19 2HG1 VAL 19 5.515 -4.770 -6.603 134 3HG1 VAL 19 3HG1 VAL 19 4.303 -3.667 -7.296 135 1HG2 VAL 19 1HG2 VAL 19 7.709 -2.976 -5.513 136 2HG2 VAL 19 2HG2 VAL 19 6.779 -2.649 -4.030 137 3HG2 VAL 19 3HG2 VAL 19 6.726 -4.264 -4.776 138 H ASP 20 H ASP 20 4.073 0.394 -5.483 139 HA ASP 20 HA ASP 20 2.206 1.267 -6.159 140 1HB ASP 20 1HB ASP 20 3.427 2.481 -7.806 141 2HB ASP 20 2HB ASP 20 3.721 1.051 -8.776 142 H CYS 21 H CYS 21 0.429 -0.106 -5.856 143 HA CYS 21 HA CYS 21 0.210 -2.511 -7.388 144 1HB CYS 21 1HB CYS 21 -2.191 -2.081 -6.005 145 2HB CYS 21 2HB CYS 21 -0.874 -3.156 -5.580 146 H GLY 22 H GLY 22 -0.576 0.814 -7.778 147 1HA GLY 22 1HA GLY 22 -1.800 0.466 -10.271 148 2HA GLY 22 2HA GLY 22 -1.762 1.938 -9.320 149 H TYR 23 H TYR 23 -3.571 2.578 -8.101 150 HA TYR 23 HA TYR 23 -6.012 1.211 -8.781 151 1HB TYR 23 1HB TYR 23 -4.616 0.474 -6.465 152 2HB TYR 23 2HB TYR 23 -5.616 1.774 -5.847 153 HD1 TYR 23 HD1 TYR 23 -6.369 -0.866 -8.404 154 HD2 TYR 23 HD2 TYR 23 -7.294 0.785 -4.567 155 HE1 TYR 23 HE1 TYR 23 -8.326 -2.473 -8.176 156 HE2 TYR 23 HE2 TYR 23 -9.247 -0.828 -4.352 157 HH TYR 23 HH TYR 23 -9.644 -3.471 -6.485 158 HA PRO 24 HA PRO 24 -7.330 5.325 -8.465 159 1HB PRO 24 1HB PRO 24 -10.035 4.977 -8.639 160 2HB PRO 24 2HB PRO 24 -8.978 4.986 -10.037 161 1HG PRO 24 1HG PRO 24 -10.288 2.687 -8.720 162 2HG PRO 24 2HG PRO 24 -9.595 2.783 -10.327 163 1HD PRO 24 1HD PRO 24 -8.428 1.529 -8.026 164 2HD PRO 24 2HD PRO 24 -7.686 1.726 -9.601 165 H HIS 25 H HIS 25 -10.104 3.915 -6.893 166 HA HIS 25 HA HIS 25 -10.067 5.785 -4.859 167 1HB HIS 25 1HB HIS 25 -11.637 4.167 -3.718 168 2HB HIS 25 2HB HIS 25 -12.094 4.692 -5.326 169 HD1 HIS 25 HD1 HIS 25 -13.572 2.524 -5.572 170 HD2 HIS 25 HD2 HIS 25 -9.459 1.816 -5.149 171 HE1 HIS 25 HE1 HIS 25 -13.195 0.087 -6.228 172 HE2 HIS 25 HE2 HIS 25 -10.642 -0.274 -6.001 173 H VAL 26 H VAL 26 -7.884 5.939 -4.069 174 HA VAL 26 HA VAL 26 -7.103 3.633 -2.421 175 HB VAL 26 HB VAL 26 -4.805 4.488 -2.658 176 1HG1 VAL 26 1HG1 VAL 26 -6.419 3.644 -5.047 177 2HG1 VAL 26 2HG1 VAL 26 -4.695 4.042 -5.248 178 3HG1 VAL 26 3HG1 VAL 26 -5.185 2.746 -4.130 179 1HG2 VAL 26 1HG2 VAL 26 -6.076 6.473 -4.571 180 2HG2 VAL 26 2HG2 VAL 26 -5.210 6.836 -3.059 181 3HG2 VAL 26 3HG2 VAL 26 -4.328 6.161 -4.449 182 H THR 27 H THR 27 -7.427 3.942 -0.286 183 HA THR 27 HA THR 27 -7.151 6.697 0.719 184 HB THR 27 HB THR 27 -9.130 6.399 2.021 185 HG1 THR 27 HG1 THR 27 -8.551 3.613 1.342 186 1HG2 THR 27 1HG2 THR 27 -9.703 6.446 -0.462 187 2HG2 THR 27 2HG2 THR 27 -9.680 4.666 -0.443 188 3HG2 THR 27 3HG2 THR 27 -10.884 5.551 0.525 189 HA PRO 28 HA PRO 28 -4.578 5.114 3.768 190 1HB PRO 28 1HB PRO 28 -5.272 6.441 6.054 191 2HB PRO 28 2HB PRO 28 -4.301 7.161 4.786 192 1HG PRO 28 1HG PRO 28 -7.143 7.642 5.443 193 2HG PRO 28 2HG PRO 28 -6.055 8.630 4.488 194 1HD PRO 28 1HD PRO 28 -8.119 6.902 3.499 195 2HD PRO 28 2HD PRO 28 -6.957 7.799 2.543 196 H LYS 29 H LYS 29 -6.776 3.425 3.201 197 HA LYS 29 HA LYS 29 -6.482 1.636 5.301 198 1HB LYS 29 1HB LYS 29 -7.955 3.546 6.343 199 2HB LYS 29 2HB LYS 29 -9.250 2.800 5.428 200 1HG LYS 29 1HG LYS 29 -7.562 0.848 6.899 201 2HG LYS 29 2HG LYS 29 -8.387 1.986 7.945 202 1HD LYS 29 1HD LYS 29 -10.543 1.312 7.204 203 2HD LYS 29 2HD LYS 29 -9.924 0.610 5.723 204 1HE LYS 29 1HE LYS 29 -9.126 -0.521 8.431 205 2HE LYS 29 2HE LYS 29 -10.627 -1.002 7.665 206 1HZ LYS 29 1HZ LYS 29 -8.431 -1.087 5.875 207 2HZ LYS 29 2HZ LYS 29 -8.198 -2.055 7.169 208 3HZ LYS 29 3HZ LYS 29 -9.522 -2.248 6.233 209 H GLU 30 H GLU 30 -8.873 2.917 2.896 210 HA GLU 30 HA GLU 30 -9.847 0.398 2.238 211 1HB GLU 30 1HB GLU 30 -10.671 2.898 1.715 212 2HB GLU 30 2HB GLU 30 -9.826 2.620 0.205 213 1HG GLU 30 1HG GLU 30 -11.216 0.761 -0.375 214 2HG GLU 30 2HG GLU 30 -11.793 0.563 1.268 215 H CYS 31 H CYS 31 -7.151 2.401 0.960 216 HA CYS 31 HA CYS 31 -6.647 0.824 -1.290 217 1HB CYS 31 1HB CYS 31 -5.619 2.830 -1.494 218 2HB CYS 31 2HB CYS 31 -5.242 2.951 0.213 219 H ASN 32 H ASN 32 -5.750 0.645 2.167 220 HA ASN 32 HA ASN 32 -3.939 -1.525 1.619 221 1HB ASN 32 1HB ASN 32 -3.192 0.030 3.328 222 2HB ASN 32 2HB ASN 32 -4.743 -0.006 4.143 223 2HD2 ASN 32 2HD2 ASN 32 -4.297 -0.798 6.075 224 1HD2 ASN 32 1HD2 ASN 32 -3.534 -2.315 6.416 225 H ASN 33 H ASN 33 -7.229 -1.157 1.794 226 HA ASN 33 HA ASN 33 -7.682 -3.459 3.485 227 1HB ASN 33 1HB ASN 33 -9.133 -1.420 3.756 228 2HB ASN 33 2HB ASN 33 -9.655 -1.573 2.090 229 2HD2 ASN 33 2HD2 ASN 33 -11.410 -2.683 1.678 230 1HD2 ASN 33 1HD2 ASN 33 -12.194 -3.825 2.719 231 H ARG 34 H ARG 34 -7.959 -2.201 0.127 232 HA ARG 34 HA ARG 34 -9.422 -4.315 -0.899 233 1HB ARG 34 1HB ARG 34 -8.586 -1.919 -1.878 234 2HB ARG 34 2HB ARG 34 -7.383 -2.940 -2.640 235 1HG ARG 34 1HG ARG 34 -10.404 -3.049 -2.953 236 2HG ARG 34 2HG ARG 34 -9.195 -2.832 -4.203 237 1HD ARG 34 1HD ARG 34 -8.370 -5.174 -3.792 238 2HD ARG 34 2HD ARG 34 -9.613 -5.387 -2.576 239 HE ARG 34 HE ARG 34 -11.022 -4.553 -4.828 240 1HH1 ARG 34 1HH1 ARG 34 -8.790 -7.182 -4.133 241 2HH1 ARG 34 2HH1 ARG 34 -9.490 -8.255 -5.298 242 1HH2 ARG 34 1HH2 ARG 34 -11.947 -5.968 -6.365 243 2HH2 ARG 34 2HH2 ARG 34 -11.298 -7.560 -6.576 244 H GLY 35 H GLY 35 -6.070 -3.996 0.066 245 1HA GLY 35 1HA GLY 35 -5.431 -6.561 -1.268 246 2HA GLY 35 2HA GLY 35 -4.978 -6.183 0.382 247 H CYS 36 H CYS 36 -3.652 -4.057 0.669 248 HA CYS 36 HA CYS 36 -1.297 -4.302 -0.698 249 1HB CYS 36 1HB CYS 36 -3.088 -3.186 -2.446 250 2HB CYS 36 2HB CYS 36 -2.346 -1.760 -1.748 251 H CYS 37 H CYS 37 -0.657 -1.380 -0.730 252 HA CYS 37 HA CYS 37 -1.184 -0.733 2.075 253 1HB CYS 37 1HB CYS 37 1.447 -0.958 0.673 254 2HB CYS 37 2HB CYS 37 1.248 0.294 1.883 255 H PHE 38 H PHE 38 -1.205 1.604 2.493 256 HA PHE 38 HA PHE 38 -1.525 3.151 0.017 257 1HB PHE 38 1HB PHE 38 -3.628 2.836 1.299 258 2HB PHE 38 2HB PHE 38 -2.824 3.248 2.801 259 HD1 PHE 38 HD1 PHE 38 -2.300 5.573 3.336 260 HD2 PHE 38 HD2 PHE 38 -4.322 4.561 -0.256 261 HE1 PHE 38 HE1 PHE 38 -2.978 7.972 3.041 262 HE2 PHE 38 HE2 PHE 38 -4.999 6.959 -0.551 263 HZ PHE 38 HZ PHE 38 -4.319 8.636 1.101 264 H ASP 39 H ASP 39 -1.363 5.672 0.629 265 HA ASP 39 HA ASP 39 0.283 6.401 2.720 266 1HB ASP 39 1HB ASP 39 2.132 5.280 1.686 267 2HB ASP 39 2HB ASP 39 1.660 5.800 0.081 268 H SER 40 H SER 40 0.418 8.739 2.755 269 HA SER 40 HA SER 40 -0.497 10.053 0.328 270 1HB SER 40 1HB SER 40 -1.979 11.519 1.650 271 2HB SER 40 2HB SER 40 -2.448 9.840 1.824 272 HG SER 40 HG SER 40 -0.583 10.591 3.746 273 H ARG 41 H ARG 41 2.113 9.592 1.991 274 HA ARG 41 HA ARG 41 2.757 12.018 3.165 275 1HB ARG 41 1HB ARG 41 3.932 9.574 3.102 276 2HB ARG 41 2HB ARG 41 4.915 10.350 1.876 277 1HG ARG 41 1HG ARG 41 5.496 12.174 3.460 278 2HG ARG 41 2HG ARG 41 4.457 11.468 4.683 279 1HD ARG 41 1HD ARG 41 6.024 9.294 4.094 280 2HD ARG 41 2HD ARG 41 7.160 10.582 3.745 281 HE ARG 41 HE ARG 41 5.972 11.244 6.219 282 1HH1 ARG 41 1HH1 ARG 41 7.950 8.644 4.911 283 2HH1 ARG 41 2HH1 ARG 41 8.700 8.279 6.429 284 1HH2 ARG 41 1HH2 ARG 41 6.961 10.763 8.222 285 2HH2 ARG 41 2HH2 ARG 41 8.133 9.493 8.325 286 H ILE 42 H ILE 42 3.247 10.673 -0.153 287 HA ILE 42 HA ILE 42 3.547 13.380 -1.138 288 HB ILE 42 HB ILE 42 5.541 12.150 -2.538 289 1HG1 ILE 42 1HG1 ILE 42 7.070 11.166 -0.850 290 2HG1 ILE 42 2HG1 ILE 42 5.788 11.233 0.342 291 1HG2 ILE 42 1HG2 ILE 42 5.275 14.229 -0.507 292 2HG2 ILE 42 2HG2 ILE 42 6.884 13.468 -0.509 293 3HG2 ILE 42 3HG2 ILE 42 6.242 14.196 -2.001 294 1HD1 ILE 42 1HD1 ILE 42 5.018 9.933 -2.225 295 2HD1 ILE 42 2HD1 ILE 42 6.259 9.073 -1.282 296 3HD1 ILE 42 3HD1 ILE 42 4.677 9.436 -0.551 297 HA PRO 43 HA PRO 43 1.078 11.466 -4.145 298 1HB PRO 43 1HB PRO 43 0.774 13.592 -5.836 299 2HB PRO 43 2HB PRO 43 -0.200 13.365 -4.396 300 1HG PRO 43 1HG PRO 43 2.024 15.259 -4.850 301 2HG PRO 43 2HG PRO 43 0.783 15.299 -3.613 302 1HD PRO 43 1HD PRO 43 3.514 14.488 -3.280 303 2HD PRO 43 2HD PRO 43 2.246 14.418 -2.073 304 H GLY 44 H GLY 44 3.940 13.232 -5.106 305 1HA GLY 44 1HA GLY 44 5.587 12.585 -6.516 306 2HA GLY 44 2HA GLY 44 4.279 12.504 -7.680 307 H VAL 45 H VAL 45 4.400 10.371 -4.818 308 HA VAL 45 HA VAL 45 5.316 8.180 -6.527 309 HB VAL 45 HB VAL 45 6.183 7.205 -4.675 310 1HG1 VAL 45 1HG1 VAL 45 6.052 10.134 -3.888 311 2HG1 VAL 45 2HG1 VAL 45 7.109 8.928 -3.115 312 3HG1 VAL 45 3HG1 VAL 45 7.322 9.324 -4.837 313 1HG2 VAL 45 1HG2 VAL 45 3.948 8.508 -3.102 314 2HG2 VAL 45 2HG2 VAL 45 4.220 6.778 -3.418 315 3HG2 VAL 45 3HG2 VAL 45 5.307 7.664 -2.322 316 HA PRO 46 HA PRO 46 1.447 6.254 -6.402 317 1HB PRO 46 1HB PRO 46 1.983 3.601 -6.027 318 2HB PRO 46 2HB PRO 46 2.177 4.409 -7.570 319 1HG PRO 46 1HG PRO 46 4.257 3.548 -5.654 320 2HG PRO 46 2HG PRO 46 4.428 3.957 -7.350 321 1HD PRO 46 1HD PRO 46 5.149 5.595 -5.108 322 2HD PRO 46 2HD PRO 46 5.211 6.048 -6.799 323 H TRP 47 H TRP 47 0.550 7.386 -4.633 324 HA TRP 47 HA TRP 47 0.826 7.033 -2.060 325 1HB TRP 47 1HB TRP 47 -1.617 7.332 -3.735 326 2HB TRP 47 2HB TRP 47 -1.841 6.970 -2.035 327 HD1 TRP 47 HD1 TRP 47 1.091 9.238 -3.069 328 HE1 TRP 47 HE1 TRP 47 0.738 11.712 -2.221 329 HE3 TRP 47 HE3 TRP 47 -3.684 8.561 -1.459 330 HZ2 TRP 47 HZ2 TRP 47 -1.451 13.077 -1.000 331 HZ3 TRP 47 HZ3 TRP 47 -4.858 10.516 -0.451 332 HH2 TRP 47 HH2 TRP 47 -3.818 12.715 -0.210 333 H CYS 48 H CYS 48 -1.077 4.740 -4.146 334 HA CYS 48 HA CYS 48 -1.062 2.842 -1.952 335 1HB CYS 48 1HB CYS 48 -3.098 3.443 -3.443 336 2HB CYS 48 2HB CYS 48 -2.347 2.400 -4.634 337 H PHE 49 H PHE 49 0.513 1.275 -1.855 338 HA PHE 49 HA PHE 49 1.631 0.312 -4.360 339 1HB PHE 49 1HB PHE 49 3.936 0.538 -3.151 340 2HB PHE 49 2HB PHE 49 3.226 2.033 -3.727 341 HD1 PHE 49 HD1 PHE 49 3.358 -0.097 -0.668 342 HD2 PHE 49 HD2 PHE 49 3.030 3.820 -2.268 343 HE1 PHE 49 HE1 PHE 49 3.495 0.860 1.648 344 HE2 PHE 49 HE2 PHE 49 3.166 4.777 0.049 345 HZ PHE 49 HZ PHE 49 3.397 3.286 1.979 346 H LYS 50 H LYS 50 3.053 -1.677 -3.957 347 HA LYS 50 HA LYS 50 1.613 -3.437 -2.264 348 1HB LYS 50 1HB LYS 50 4.248 -3.962 -3.659 349 2HB LYS 50 2HB LYS 50 3.057 -5.137 -3.139 350 1HG LYS 50 1HG LYS 50 1.387 -3.972 -4.717 351 2HG LYS 50 2HG LYS 50 2.742 -3.056 -5.347 352 1HD LYS 50 1HD LYS 50 2.728 -4.854 -6.836 353 2HD LYS 50 2HD LYS 50 3.868 -5.445 -5.644 354 1HE LYS 50 1HE LYS 50 2.327 -6.962 -4.709 355 2HE LYS 50 2HE LYS 50 0.933 -6.032 -5.224 356 1HZ LYS 50 1HZ LYS 50 2.044 -6.666 -7.550 357 2HZ LYS 50 2HZ LYS 50 2.439 -7.986 -6.673 358 3HZ LYS 50 3HZ LYS 50 0.874 -7.549 -6.831 359 HA PRO 51 HA PRO 51 4.005 -3.278 1.324 360 1HB PRO 51 1HB PRO 51 4.076 -5.866 2.198 361 2HB PRO 51 2HB PRO 51 2.686 -4.820 2.411 362 1HG PRO 51 1HG PRO 51 3.055 -7.046 0.501 363 2HG PRO 51 2HG PRO 51 1.567 -6.281 1.021 364 1HD PRO 51 1HD PRO 51 2.919 -5.883 -1.477 365 2HD PRO 51 2HD PRO 51 1.496 -5.033 -0.909 366 H LEU 52 H LEU 52 6.063 -2.779 1.720 367 HA LEU 52 HA LEU 52 8.082 -3.299 0.088 368 1HB LEU 52 1HB LEU 52 8.353 -1.841 1.926 369 2HB LEU 52 2HB LEU 52 8.065 -3.117 3.092 370 HG LEU 52 HG LEU 52 10.476 -2.994 1.260 371 1HD1 LEU 52 1HD1 LEU 52 9.964 -1.829 3.961 372 2HD1 LEU 52 2HD1 LEU 52 11.567 -2.529 3.630 373 3HD1 LEU 52 3HD1 LEU 52 10.942 -1.213 2.608 374 1HD2 LEU 52 1HD2 LEU 52 9.425 -5.023 3.077 375 2HD2 LEU 52 2HD2 LEU 52 10.685 -5.140 1.826 376 3HD2 LEU 52 3HD2 LEU 52 11.100 -4.557 3.456 377 H GLN 53 H GLN 53 9.549 -4.921 -0.432 378 HA GLN 53 HA GLN 53 8.652 -7.510 -0.158 379 1HB GLN 53 1HB GLN 53 11.065 -6.144 -1.212 380 2HB GLN 53 2HB GLN 53 11.354 -7.795 -0.702 381 1HG GLN 53 1HG GLN 53 10.649 -7.597 -3.118 382 2HG GLN 53 2HG GLN 53 9.615 -8.649 -2.172 383 2HE2 GLN 53 2HE2 GLN 53 9.813 -5.105 -2.290 384 1HE2 GLN 53 1HE2 GLN 53 8.188 -4.806 -2.810 385 H GLU 54 H GLU 54 8.212 -7.840 2.127 386 HA GLU 54 HA GLU 54 10.031 -7.450 4.124 387 1HB GLU 54 1HB GLU 54 8.643 -8.933 5.461 388 2HB GLU 54 2HB GLU 54 7.600 -7.996 4.410 389 1HG GLU 54 1HG GLU 54 6.701 -10.005 3.808 390 2HG GLU 54 2HG GLU 54 8.128 -10.188 2.808 391 H ALA 55 H ALA 55 12.142 -8.147 4.003 392 HA ALA 55 HA ALA 55 12.528 -11.027 3.827 393 1HB ALA 55 1HB ALA 55 13.540 -10.983 1.820 394 2HB ALA 55 2HB ALA 55 14.606 -9.654 2.338 395 3HB ALA 55 3HB ALA 55 13.007 -9.294 1.642 396 H GLU 56 H GLU 56 14.181 -7.800 4.117 397 HA GLU 56 HA GLU 56 16.121 -8.924 5.855 398 1HB GLU 56 1HB GLU 56 15.547 -6.234 4.663 399 2HB GLU 56 2HB GLU 56 16.488 -6.248 6.141 400 1HG GLU 56 1HG GLU 56 18.028 -7.970 5.061 401 2HG GLU 56 2HG GLU 56 17.141 -7.752 3.565 402 H CYS 57 H CYS 57 14.548 -9.843 7.450 403 HA CYS 57 HA CYS 57 14.460 -8.380 9.755 404 1HB CYS 57 1HB CYS 57 12.537 -7.343 8.059 405 2HB CYS 57 2HB CYS 57 11.619 -8.453 9.056 406 H THR 58 H THR 58 12.266 -10.510 7.771 407 HA THR 58 HA THR 58 12.966 -12.818 9.267 408 HB THR 58 HB THR 58 11.473 -11.565 10.908 409 HG1 THR 58 HG1 THR 58 10.291 -13.932 9.646 410 1HG2 THR 58 1HG2 THR 58 9.657 -11.701 8.520 411 2HG2 THR 58 2HG2 THR 58 8.930 -12.140 10.084 412 3HG2 THR 58 3HG2 THR 58 9.667 -10.535 9.865 413 H PHE 59 H PHE 59 11.707 -14.754 8.532 414 HA PHE 59 HA PHE 59 11.785 -15.105 5.907 415 1HB PHE 59 1HB PHE 59 10.151 -16.151 8.204 416 2HB PHE 59 2HB PHE 59 9.496 -16.545 6.628 417 HD1 PHE 59 HD1 PHE 59 12.487 -16.891 8.774 418 HD2 PHE 59 HD2 PHE 59 10.472 -18.237 5.290 419 HE1 PHE 59 HE1 PHE 59 14.092 -18.812 8.587 420 HE2 PHE 59 HE2 PHE 59 12.077 -20.157 5.104 421 HZ PHE 59 HZ PHE 59 13.868 -20.422 6.754 No H/Q in entry = 421 Start of MODEL 83 1 H GLU 1 H GLU 1 5.824 -13.808 18.627 2 HA GLU 1 HA GLU 1 7.219 -13.108 20.289 3 1HB GLU 1 1HB GLU 1 8.835 -15.501 19.429 4 2HB GLU 1 2HB GLU 1 9.674 -14.182 20.222 5 1HG GLU 1 1HG GLU 1 8.399 -14.401 22.224 6 2HG GLU 1 2HG GLU 1 7.121 -15.295 21.426 7 H GLU 2 H GLU 2 6.653 -12.167 17.655 8 HA GLU 2 HA GLU 2 8.314 -10.160 17.316 9 1HB GLU 2 1HB GLU 2 9.653 -12.622 16.371 10 2HB GLU 2 2HB GLU 2 9.620 -11.353 15.163 11 1HG GLU 2 1HG GLU 2 10.351 -10.510 17.949 12 2HG GLU 2 2HG GLU 2 11.522 -11.510 17.112 13 H TYR 3 H TYR 3 8.118 -9.084 15.110 14 HA TYR 3 HA TYR 3 5.805 -10.205 13.673 15 1HB TYR 3 1HB TYR 3 6.155 -7.802 15.162 16 2HB TYR 3 2HB TYR 3 6.396 -7.284 13.505 17 HD1 TYR 3 HD1 TYR 3 4.390 -9.542 12.455 18 HD2 TYR 3 HD2 TYR 3 4.142 -6.410 15.359 19 HE1 TYR 3 HE1 TYR 3 1.871 -9.429 12.128 20 HE2 TYR 3 HE2 TYR 3 1.624 -6.308 15.022 21 HH TYR 3 HH TYR 3 -0.116 -8.647 13.723 22 H VAL 4 H VAL 4 5.719 -8.531 11.493 23 HA VAL 4 HA VAL 4 8.078 -7.847 10.280 24 HB VAL 4 HB VAL 4 8.934 -10.015 10.380 25 1HG1 VAL 4 1HG1 VAL 4 6.843 -11.145 11.070 26 2HG1 VAL 4 2HG1 VAL 4 6.275 -11.095 9.384 27 3HG1 VAL 4 3HG1 VAL 4 7.716 -12.048 9.810 28 1HG2 VAL 4 1HG2 VAL 4 8.228 -8.891 7.881 29 2HG2 VAL 4 2HG2 VAL 4 9.557 -10.019 8.239 30 3HG2 VAL 4 3HG2 VAL 4 7.969 -10.646 7.738 31 H GLY 5 H GLY 5 6.742 -6.194 9.497 32 1HA GLY 5 1HA GLY 5 4.821 -7.068 7.428 33 2HA GLY 5 2HA GLY 5 5.764 -5.592 7.386 34 H LEU 6 H LEU 6 5.485 -4.555 9.969 35 HA LEU 6 HA LEU 6 2.750 -4.612 10.774 36 1HB LEU 6 1HB LEU 6 3.449 -2.916 12.384 37 2HB LEU 6 2HB LEU 6 4.473 -4.337 12.408 38 HG LEU 6 HG LEU 6 5.674 -2.480 10.616 39 1HD1 LEU 6 1HD1 LEU 6 4.100 -0.948 12.124 40 2HD1 LEU 6 2HD1 LEU 6 5.471 -1.101 13.248 41 3HD1 LEU 6 3HD1 LEU 6 5.728 -0.440 11.616 42 1HD2 LEU 6 1HD2 LEU 6 6.592 -4.297 12.260 43 2HD2 LEU 6 2HD2 LEU 6 7.566 -2.858 11.873 44 3HD2 LEU 6 3HD2 LEU 6 6.668 -2.939 13.408 45 H SER 7 H SER 7 2.145 -1.922 11.292 46 HA SER 7 HA SER 7 0.984 -1.194 8.931 47 1HB SER 7 1HB SER 7 0.139 0.615 10.111 48 2HB SER 7 2HB SER 7 0.644 -0.403 11.446 49 HG SER 7 HG SER 7 1.751 2.029 10.502 50 H ALA 8 H ALA 8 4.284 -0.891 9.947 51 HA ALA 8 HA ALA 8 4.764 1.108 7.844 52 1HB ALA 8 1HB ALA 8 5.402 1.265 10.520 53 2HB ALA 8 2HB ALA 8 6.244 2.139 9.218 54 3HB ALA 8 3HB ALA 8 6.899 0.599 9.824 55 H ASN 9 H ASN 9 6.775 -1.360 9.587 56 HA ASN 9 HA ASN 9 8.570 -2.029 7.945 57 1HB ASN 9 1HB ASN 9 7.365 -3.432 9.937 58 2HB ASN 9 2HB ASN 9 6.828 -4.412 8.587 59 2HD2 ASN 9 2HD2 ASN 9 8.430 -5.481 10.486 60 1HD2 ASN 9 1HD2 ASN 9 10.017 -5.804 9.872 61 H GLN 10 H GLN 10 5.122 -3.069 7.438 62 HA GLN 10 HA GLN 10 5.675 -4.311 4.978 63 1HB GLN 10 1HB GLN 10 3.614 -4.444 6.737 64 2HB GLN 10 2HB GLN 10 2.908 -3.327 5.585 65 1HG GLN 10 1HG GLN 10 3.671 -5.033 3.753 66 2HG GLN 10 2HG GLN 10 3.898 -6.158 5.078 67 2HE2 GLN 10 2HE2 GLN 10 1.888 -5.589 6.785 68 1HE2 GLN 10 1HE2 GLN 10 0.339 -5.901 6.076 69 H CYS 11 H CYS 11 3.891 -1.249 5.821 70 HA CYS 11 HA CYS 11 4.333 -0.385 3.072 71 1HB CYS 11 1HB CYS 11 2.638 1.155 4.988 72 2HB CYS 11 2HB CYS 11 2.497 0.984 3.249 73 H ALA 12 H ALA 12 6.660 -0.464 4.586 74 HA ALA 12 HA ALA 12 7.023 2.336 5.409 75 1HB ALA 12 1HB ALA 12 9.106 1.156 6.566 76 2HB ALA 12 2HB ALA 12 7.500 1.135 7.333 77 3HB ALA 12 3HB ALA 12 8.075 -0.288 6.432 78 H VAL 13 H VAL 13 7.012 2.045 2.732 79 HA VAL 13 HA VAL 13 9.733 1.454 1.888 80 HB VAL 13 HB VAL 13 7.761 2.439 -0.063 81 1HG1 VAL 13 1HG1 VAL 13 10.035 0.629 0.094 82 2HG1 VAL 13 2HG1 VAL 13 8.661 -0.118 -0.756 83 3HG1 VAL 13 3HG1 VAL 13 9.316 1.438 -1.320 84 1HG2 VAL 13 1HG2 VAL 13 7.194 0.042 1.672 85 2HG2 VAL 13 2HG2 VAL 13 6.089 1.318 1.106 86 3HG2 VAL 13 3HG2 VAL 13 6.667 0.073 -0.028 87 HA PRO 14 HA PRO 14 10.821 5.635 1.777 88 1HB PRO 14 1HB PRO 14 12.886 5.593 -0.013 89 2HB PRO 14 2HB PRO 14 13.063 5.122 1.665 90 1HG PRO 14 1HG PRO 14 12.938 3.406 -0.739 91 2HG PRO 14 2HG PRO 14 13.529 3.010 0.863 92 1HD PRO 14 1HD PRO 14 11.013 2.236 -0.278 93 2HD PRO 14 2HD PRO 14 11.556 1.940 1.362 94 H ALA 15 H ALA 15 9.165 4.185 -0.609 95 HA ALA 15 HA ALA 15 7.720 5.196 -2.018 96 1HB ALA 15 1HB ALA 15 9.245 7.759 -2.221 97 2HB ALA 15 2HB ALA 15 7.490 7.477 -2.120 98 3HB ALA 15 3HB ALA 15 8.491 7.390 -0.651 99 H LYS 16 H LYS 16 11.241 5.330 -2.228 100 HA LYS 16 HA LYS 16 11.166 5.482 -5.120 101 1HB LYS 16 1HB LYS 16 13.583 5.575 -4.967 102 2HB LYS 16 2HB LYS 16 12.866 6.737 -3.869 103 1HG LYS 16 1HG LYS 16 14.471 5.741 -2.483 104 2HG LYS 16 2HG LYS 16 13.049 4.798 -2.082 105 1HD LYS 16 1HD LYS 16 13.990 2.888 -2.878 106 2HD LYS 16 2HD LYS 16 14.382 3.643 -4.410 107 1HE LYS 16 1HE LYS 16 16.565 3.518 -3.785 108 2HE LYS 16 2HE LYS 16 16.226 4.811 -2.651 109 1HZ LYS 16 1HZ LYS 16 15.364 2.754 -1.272 110 2HZ LYS 16 2HZ LYS 16 16.502 1.988 -2.158 111 3HZ LYS 16 3HZ LYS 16 16.918 3.256 -1.217 112 H ASP 17 H ASP 17 10.247 3.160 -3.076 113 HA ASP 17 HA ASP 17 11.404 1.105 -4.780 114 1HB ASP 17 1HB ASP 17 12.545 0.858 -2.667 115 2HB ASP 17 2HB ASP 17 11.070 1.114 -1.756 116 H ARG 18 H ARG 18 8.786 2.732 -4.608 117 HA ARG 18 HA ARG 18 6.861 0.923 -3.613 118 1HB ARG 18 1HB ARG 18 6.357 3.232 -5.545 119 2HB ARG 18 2HB ARG 18 5.229 2.548 -4.392 120 1HG ARG 18 1HG ARG 18 7.835 3.708 -3.379 121 2HG ARG 18 2HG ARG 18 6.540 4.799 -3.831 122 1HD ARG 18 1HD ARG 18 5.171 2.926 -2.303 123 2HD ARG 18 2HD ARG 18 6.729 2.955 -1.502 124 HE ARG 18 HE ARG 18 5.537 5.599 -2.104 125 1HH1 ARG 18 1HH1 ARG 18 6.091 3.066 0.276 126 2HH1 ARG 18 2HH1 ARG 18 5.775 4.096 1.633 127 1HH2 ARG 18 1HH2 ARG 18 5.120 6.957 -0.314 128 2HH2 ARG 18 2HH2 ARG 18 5.219 6.324 1.295 129 H VAL 19 H VAL 19 5.566 -0.566 -4.768 130 HA VAL 19 HA VAL 19 6.513 -1.157 -7.453 131 HB VAL 19 HB VAL 19 4.482 -2.760 -5.945 132 1HG1 VAL 19 1HG1 VAL 19 6.215 -3.093 -8.260 133 2HG1 VAL 19 2HG1 VAL 19 6.440 -4.404 -7.077 134 3HG1 VAL 19 3HG1 VAL 19 4.820 -4.063 -7.730 135 1HG2 VAL 19 1HG2 VAL 19 7.438 -2.578 -5.310 136 2HG2 VAL 19 2HG2 VAL 19 6.054 -2.405 -4.203 137 3HG2 VAL 19 3HG2 VAL 19 6.447 -3.997 -4.896 138 H ASP 20 H ASP 20 4.384 0.987 -6.195 139 HA ASP 20 HA ASP 20 2.475 1.867 -6.786 140 1HB ASP 20 1HB ASP 20 4.060 2.344 -8.757 141 2HB ASP 20 2HB ASP 20 3.262 1.042 -9.616 142 H CYS 21 H CYS 21 0.856 0.425 -5.953 143 HA CYS 21 HA CYS 21 0.241 -2.029 -7.127 144 1HB CYS 21 1HB CYS 21 -0.458 -0.681 -4.821 145 2HB CYS 21 2HB CYS 21 -1.968 -0.727 -5.710 146 H GLY 22 H GLY 22 -0.296 1.226 -8.121 147 1HA GLY 22 1HA GLY 22 -1.511 0.613 -10.520 148 2HA GLY 22 2HA GLY 22 -1.535 2.180 -9.735 149 H TYR 23 H TYR 23 -3.198 2.434 -7.874 150 HA TYR 23 HA TYR 23 -5.690 1.190 -8.786 151 1HB TYR 23 1HB TYR 23 -4.271 0.465 -6.490 152 2HB TYR 23 2HB TYR 23 -5.256 1.768 -5.855 153 HD1 TYR 23 HD1 TYR 23 -5.553 -1.405 -7.826 154 HD2 TYR 23 HD2 TYR 23 -7.425 1.319 -5.109 155 HE1 TYR 23 HE1 TYR 23 -7.511 -3.004 -7.560 156 HE2 TYR 23 HE2 TYR 23 -9.377 -0.290 -4.852 157 HH TYR 23 HH TYR 23 -10.392 -2.055 -5.835 158 HA PRO 24 HA PRO 24 -7.074 5.284 -8.477 159 1HB PRO 24 1HB PRO 24 -9.770 4.886 -8.681 160 2HB PRO 24 2HB PRO 24 -8.699 4.922 -10.068 161 1HG PRO 24 1HG PRO 24 -9.980 2.592 -8.775 162 2HG PRO 24 2HG PRO 24 -9.272 2.709 -10.374 163 1HD PRO 24 1HD PRO 24 -8.106 1.466 -8.067 164 2HD PRO 24 2HD PRO 24 -7.351 1.685 -9.633 165 H HIS 25 H HIS 25 -9.906 3.951 -6.989 166 HA HIS 25 HA HIS 25 -9.843 5.768 -4.917 167 1HB HIS 25 1HB HIS 25 -11.492 4.177 -3.840 168 2HB HIS 25 2HB HIS 25 -11.898 4.766 -5.439 169 HD1 HIS 25 HD1 HIS 25 -13.478 2.599 -5.579 170 HD2 HIS 25 HD2 HIS 25 -9.351 1.852 -5.501 171 HE1 HIS 25 HE1 HIS 25 -13.174 0.188 -6.355 172 HE2 HIS 25 HE2 HIS 25 -10.615 -0.196 -6.339 173 H VAL 26 H VAL 26 -7.868 5.932 -3.830 174 HA VAL 26 HA VAL 26 -7.172 3.551 -2.256 175 HB VAL 26 HB VAL 26 -4.819 4.272 -2.436 176 1HG1 VAL 26 1HG1 VAL 26 -6.370 3.526 -4.915 177 2HG1 VAL 26 2HG1 VAL 26 -4.598 3.693 -4.950 178 3HG1 VAL 26 3HG1 VAL 26 -5.359 2.501 -3.868 179 1HG2 VAL 26 1HG2 VAL 26 -5.990 6.614 -3.595 180 2HG2 VAL 26 2HG2 VAL 26 -4.284 6.295 -3.202 181 3HG2 VAL 26 3HG2 VAL 26 -4.925 5.856 -4.803 182 H THR 27 H THR 27 -7.353 3.890 -0.104 183 HA THR 27 HA THR 27 -6.928 6.625 0.873 184 HB THR 27 HB THR 27 -9.008 6.629 2.016 185 HG1 THR 27 HG1 THR 27 -9.935 4.622 2.622 186 1HG2 THR 27 1HG2 THR 27 -9.515 4.882 -0.450 187 2HG2 THR 27 2HG2 THR 27 -10.772 5.739 0.472 188 3HG2 THR 27 3HG2 THR 27 -9.539 6.661 -0.421 189 HA PRO 28 HA PRO 28 -4.737 4.760 4.058 190 1HB PRO 28 1HB PRO 28 -5.331 6.238 6.278 191 2HB PRO 28 2HB PRO 28 -4.209 6.773 5.044 192 1HG PRO 28 1HG PRO 28 -6.976 7.680 5.552 193 2HG PRO 28 2HG PRO 28 -5.713 8.472 4.630 194 1HD PRO 28 1HD PRO 28 -7.963 7.035 3.579 195 2HD PRO 28 2HD PRO 28 -6.639 7.727 2.662 196 H LYS 29 H LYS 29 -7.068 3.344 3.416 197 HA LYS 29 HA LYS 29 -7.152 1.605 5.559 198 1HB LYS 29 1HB LYS 29 -8.384 3.750 6.483 199 2HB LYS 29 2HB LYS 29 -9.736 3.131 5.557 200 1HG LYS 29 1HG LYS 29 -8.191 1.298 7.422 201 2HG LYS 29 2HG LYS 29 -9.437 2.356 8.055 202 1HD LYS 29 1HD LYS 29 -10.877 1.322 6.040 203 2HD LYS 29 2HD LYS 29 -9.713 0.018 6.163 204 1HE LYS 29 1HE LYS 29 -11.013 1.037 8.697 205 2HE LYS 29 2HE LYS 29 -11.949 0.007 7.632 206 1HZ LYS 29 1HZ LYS 29 -9.304 -0.949 8.106 207 2HZ LYS 29 2HZ LYS 29 -10.211 -0.863 9.462 208 3HZ LYS 29 3HZ LYS 29 -10.729 -1.744 8.188 209 H GLU 30 H GLU 30 -8.766 3.134 2.765 210 HA GLU 30 HA GLU 30 -10.166 0.708 2.176 211 1HB GLU 30 1HB GLU 30 -10.942 3.169 1.736 212 2HB GLU 30 2HB GLU 30 -9.907 3.098 0.323 213 1HG GLU 30 1HG GLU 30 -11.145 1.194 -0.582 214 2HG GLU 30 2HG GLU 30 -12.059 1.013 0.903 215 H CYS 31 H CYS 31 -7.126 2.296 1.372 216 HA CYS 31 HA CYS 31 -6.733 0.740 -1.006 217 1HB CYS 31 1HB CYS 31 -5.691 2.751 -1.251 218 2HB CYS 31 2HB CYS 31 -5.257 2.876 0.442 219 H ASN 32 H ASN 32 -6.185 0.546 2.468 220 HA ASN 32 HA ASN 32 -4.231 -1.546 2.122 221 1HB ASN 32 1HB ASN 32 -5.228 -1.048 4.868 222 2HB ASN 32 2HB ASN 32 -3.579 -1.035 4.273 223 2HD2 ASN 32 2HD2 ASN 32 -5.040 0.784 6.070 224 1HD2 ASN 32 1HD2 ASN 32 -4.887 2.377 5.408 225 H ASN 33 H ASN 33 -7.531 -1.274 1.913 226 HA ASN 33 HA ASN 33 -8.053 -3.689 3.439 227 1HB ASN 33 1HB ASN 33 -9.552 -1.726 3.857 228 2HB ASN 33 2HB ASN 33 -9.969 -1.670 2.156 229 2HD2 ASN 33 2HD2 ASN 33 -11.479 -2.189 4.717 230 1HD2 ASN 33 1HD2 ASN 33 -12.388 -3.637 4.438 231 H ARG 34 H ARG 34 -8.246 -2.105 0.209 232 HA ARG 34 HA ARG 34 -9.636 -4.080 -1.099 233 1HB ARG 34 1HB ARG 34 -8.656 -1.639 -1.799 234 2HB ARG 34 2HB ARG 34 -7.442 -2.637 -2.576 235 1HG ARG 34 1HG ARG 34 -9.466 -2.044 -4.025 236 2HG ARG 34 2HG ARG 34 -9.070 -3.750 -3.950 237 1HD ARG 34 1HD ARG 34 -10.964 -2.794 -1.841 238 2HD ARG 34 2HD ARG 34 -11.583 -2.737 -3.479 239 HE ARG 34 HE ARG 34 -10.258 -5.271 -2.810 240 1HH1 ARG 34 1HH1 ARG 34 -13.295 -3.494 -2.786 241 2HH1 ARG 34 2HH1 ARG 34 -14.277 -4.920 -2.738 242 1HH2 ARG 34 1HH2 ARG 34 -11.552 -7.153 -2.747 243 2HH2 ARG 34 2HH2 ARG 34 -13.279 -7.016 -2.716 244 H GLY 35 H GLY 35 -6.244 -3.840 -0.084 245 1HA GLY 35 1HA GLY 35 -5.668 -6.388 -1.476 246 2HA GLY 35 2HA GLY 35 -5.211 -6.075 0.186 247 H CYS 36 H CYS 36 -3.762 -4.111 0.594 248 HA CYS 36 HA CYS 36 -1.435 -4.319 -0.759 249 1HB CYS 36 1HB CYS 36 -3.270 -2.974 -2.429 250 2HB CYS 36 2HB CYS 36 -2.179 -1.744 -1.822 251 H CYS 37 H CYS 37 -0.618 -1.495 -0.722 252 HA CYS 37 HA CYS 37 -1.182 -0.866 2.085 253 1HB CYS 37 1HB CYS 37 1.419 -1.021 0.620 254 2HB CYS 37 2HB CYS 37 1.233 0.196 1.867 255 H PHE 38 H PHE 38 -1.245 1.453 2.565 256 HA PHE 38 HA PHE 38 -1.640 3.060 0.140 257 1HB PHE 38 1HB PHE 38 -3.695 2.678 1.491 258 2HB PHE 38 2HB PHE 38 -2.847 3.092 2.967 259 HD1 PHE 38 HD1 PHE 38 -4.280 4.450 -0.138 260 HD2 PHE 38 HD2 PHE 38 -2.540 5.375 3.620 261 HE1 PHE 38 HE1 PHE 38 -5.012 6.838 -0.387 262 HE2 PHE 38 HE2 PHE 38 -3.272 7.763 3.371 263 HZ PHE 38 HZ PHE 38 -4.499 8.466 1.371 264 H ASP 39 H ASP 39 -1.471 5.563 0.786 265 HA ASP 39 HA ASP 39 0.156 6.327 2.848 266 1HB ASP 39 1HB ASP 39 1.973 5.063 1.826 267 2HB ASP 39 2HB ASP 39 1.630 5.737 0.245 268 H SER 40 H SER 40 0.260 8.654 2.830 269 HA SER 40 HA SER 40 -0.570 9.889 0.326 270 1HB SER 40 1HB SER 40 -2.052 11.407 1.532 271 2HB SER 40 2HB SER 40 -2.497 9.755 1.911 272 HG SER 40 HG SER 40 -0.628 10.531 3.722 273 H ARG 41 H ARG 41 2.040 9.436 1.977 274 HA ARG 41 HA ARG 41 2.783 11.833 3.101 275 1HB ARG 41 1HB ARG 41 3.931 9.383 2.924 276 2HB ARG 41 2HB ARG 41 4.850 10.174 1.659 277 1HG ARG 41 1HG ARG 41 6.046 11.431 3.147 278 2HG ARG 41 2HG ARG 41 4.623 11.848 4.080 279 1HD ARG 41 1HD ARG 41 4.798 9.247 4.808 280 2HD ARG 41 2HD ARG 41 6.484 9.499 4.400 281 HE ARG 41 HE ARG 41 5.130 10.525 6.728 282 1HH1 ARG 41 1HH1 ARG 41 7.585 11.403 4.365 283 2HH1 ARG 41 2HH1 ARG 41 8.414 12.481 5.438 284 1HH2 ARG 41 1HH2 ARG 41 6.224 11.947 8.144 285 2HH2 ARG 41 2HH2 ARG 41 7.635 12.792 7.601 286 H ILE 42 H ILE 42 3.352 10.502 -0.235 287 HA ILE 42 HA ILE 42 3.488 13.239 -1.210 288 HB ILE 42 HB ILE 42 5.488 12.073 -2.656 289 1HG1 ILE 42 1HG1 ILE 42 7.073 11.119 -1.004 290 2HG1 ILE 42 2HG1 ILE 42 5.812 11.145 0.213 291 1HG2 ILE 42 1HG2 ILE 42 5.250 14.085 -0.518 292 2HG2 ILE 42 2HG2 ILE 42 6.885 13.417 -0.738 293 3HG2 ILE 42 3HG2 ILE 42 6.042 14.176 -2.110 294 1HD1 ILE 42 1HD1 ILE 42 4.962 9.853 -2.314 295 2HD1 ILE 42 2HD1 ILE 42 6.319 9.031 -1.506 296 3HD1 ILE 42 3HD1 ILE 42 4.789 9.289 -0.635 297 HA PRO 43 HA PRO 43 1.056 11.340 -4.245 298 1HB PRO 43 1HB PRO 43 0.866 13.412 -6.017 299 2HB PRO 43 2HB PRO 43 -0.139 13.278 -4.588 300 1HG PRO 43 1HG PRO 43 2.167 15.063 -5.072 301 2HG PRO 43 2HG PRO 43 0.910 15.199 -3.859 302 1HD PRO 43 1HD PRO 43 3.600 14.291 -3.449 303 2HD PRO 43 2HD PRO 43 2.311 14.317 -2.262 304 H GLY 44 H GLY 44 3.995 12.964 -5.234 305 1HA GLY 44 1HA GLY 44 5.656 12.129 -6.543 306 2HA GLY 44 2HA GLY 44 4.391 12.191 -7.753 307 H VAL 45 H VAL 45 4.836 10.029 -4.867 308 HA VAL 45 HA VAL 45 5.321 7.791 -6.639 309 HB VAL 45 HB VAL 45 6.140 6.705 -4.805 310 1HG1 VAL 45 1HG1 VAL 45 7.028 9.240 -5.162 311 2HG1 VAL 45 2HG1 VAL 45 6.550 9.314 -3.449 312 3HG1 VAL 45 3HG1 VAL 45 7.733 8.099 -3.991 313 1HG2 VAL 45 1HG2 VAL 45 4.087 8.244 -3.230 314 2HG2 VAL 45 2HG2 VAL 45 4.343 6.486 -3.347 315 3HG2 VAL 45 3HG2 VAL 45 5.472 7.489 -2.404 316 HA PRO 46 HA PRO 46 1.347 6.112 -6.346 317 1HB PRO 46 1HB PRO 46 1.719 3.432 -5.962 318 2HB PRO 46 2HB PRO 46 1.910 4.213 -7.520 319 1HG PRO 46 1HG PRO 46 3.997 3.231 -5.671 320 2HG PRO 46 2HG PRO 46 4.132 3.614 -7.375 321 1HD PRO 46 1HD PRO 46 5.042 5.218 -5.178 322 2HD PRO 46 2HD PRO 46 5.072 5.652 -6.876 323 H TRP 47 H TRP 47 0.377 7.187 -4.650 324 HA TRP 47 HA TRP 47 0.766 6.928 -2.052 325 1HB TRP 47 1HB TRP 47 -1.702 7.242 -3.680 326 2HB TRP 47 2HB TRP 47 -1.908 6.899 -1.974 327 HD1 TRP 47 HD1 TRP 47 1.041 9.113 -3.085 328 HE1 TRP 47 HE1 TRP 47 0.743 11.598 -2.250 329 HE3 TRP 47 HE3 TRP 47 -3.708 8.520 -1.367 330 HZ2 TRP 47 HZ2 TRP 47 -1.398 13.006 -0.993 331 HZ3 TRP 47 HZ3 TRP 47 -4.830 10.500 -0.350 332 HH2 TRP 47 HH2 TRP 47 -3.752 12.685 -0.149 333 H CYS 48 H CYS 48 -1.152 4.594 -4.068 334 HA CYS 48 HA CYS 48 -1.111 2.750 -1.818 335 1HB CYS 48 1HB CYS 48 -3.219 3.344 -3.168 336 2HB CYS 48 2HB CYS 48 -2.547 2.335 -4.433 337 H PHE 49 H PHE 49 0.892 1.721 -1.784 338 HA PHE 49 HA PHE 49 1.772 0.576 -4.342 339 1HB PHE 49 1HB PHE 49 4.071 0.705 -3.087 340 2HB PHE 49 2HB PHE 49 3.393 2.228 -3.626 341 HD1 PHE 49 HD1 PHE 49 3.486 0.002 -0.638 342 HD2 PHE 49 HD2 PHE 49 3.154 3.968 -2.110 343 HE1 PHE 49 HE1 PHE 49 3.596 0.883 1.710 344 HE2 PHE 49 HE2 PHE 49 3.264 4.849 0.237 345 HZ PHE 49 HZ PHE 49 3.484 3.296 2.120 346 H LYS 50 H LYS 50 3.178 -1.445 -4.033 347 HA LYS 50 HA LYS 50 1.705 -3.300 -2.501 348 1HB LYS 50 1HB LYS 50 4.257 -3.449 -4.110 349 2HB LYS 50 2HB LYS 50 3.647 -4.829 -3.219 350 1HG LYS 50 1HG LYS 50 1.394 -3.775 -4.603 351 2HG LYS 50 2HG LYS 50 2.712 -3.719 -5.756 352 1HD LYS 50 1HD LYS 50 2.928 -6.238 -4.411 353 2HD LYS 50 2HD LYS 50 1.231 -6.030 -4.796 354 1HE LYS 50 1HE LYS 50 2.391 -5.192 -7.155 355 2HE LYS 50 2HE LYS 50 3.561 -6.386 -6.628 356 1HZ LYS 50 1HZ LYS 50 0.825 -7.198 -6.369 357 2HZ LYS 50 2HZ LYS 50 1.319 -6.968 -7.908 358 3HZ LYS 50 3HZ LYS 50 2.108 -8.026 -6.947 359 HA PRO 51 HA PRO 51 3.878 -3.309 1.227 360 1HB PRO 51 1HB PRO 51 3.910 -5.939 1.971 361 2HB PRO 51 2HB PRO 51 2.505 -4.908 2.155 362 1HG PRO 51 1HG PRO 51 2.997 -7.032 0.159 363 2HG PRO 51 2HG PRO 51 1.477 -6.298 0.628 364 1HD PRO 51 1HD PRO 51 2.971 -5.770 -1.762 365 2HD PRO 51 2HD PRO 51 1.513 -4.953 -1.236 366 H LEU 52 H LEU 52 5.910 -2.698 1.570 367 HA LEU 52 HA LEU 52 7.999 -3.274 0.051 368 1HB LEU 52 1HB LEU 52 8.132 -1.710 1.840 369 2HB LEU 52 2HB LEU 52 7.895 -2.958 3.047 370 HG LEU 52 HG LEU 52 10.322 -2.740 1.244 371 1HD1 LEU 52 1HD1 LEU 52 9.735 -1.010 3.247 372 2HD1 LEU 52 2HD1 LEU 52 10.603 -2.275 4.149 373 3HD1 LEU 52 3HD1 LEU 52 11.386 -1.470 2.768 374 1HD2 LEU 52 1HD2 LEU 52 9.375 -4.792 3.128 375 2HD2 LEU 52 2HD2 LEU 52 10.554 -4.898 1.799 376 3HD2 LEU 52 3HD2 LEU 52 11.058 -4.270 3.386 377 H GLN 53 H GLN 53 9.390 -4.936 -0.433 378 HA GLN 53 HA GLN 53 8.538 -7.510 0.151 379 1HB GLN 53 1HB GLN 53 10.916 -8.084 -0.790 380 2HB GLN 53 2HB GLN 53 9.748 -7.315 -1.846 381 1HG GLN 53 1HG GLN 53 11.373 -5.394 -0.265 382 2HG GLN 53 2HG GLN 53 12.320 -6.383 -1.358 383 2HE2 GLN 53 2HE2 GLN 53 11.161 -3.495 -1.186 384 1HE2 GLN 53 1HE2 GLN 53 10.601 -3.173 -2.793 385 H GLU 54 H GLU 54 8.348 -7.447 2.536 386 HA GLU 54 HA GLU 54 10.392 -6.903 4.238 387 1HB GLU 54 1HB GLU 54 9.130 -8.067 5.902 388 2HB GLU 54 2HB GLU 54 7.949 -7.430 4.775 389 1HG GLU 54 1HG GLU 54 8.302 -9.803 3.574 390 2HG GLU 54 2HG GLU 54 8.855 -10.285 5.165 391 H ALA 55 H ALA 55 12.447 -7.700 4.259 392 HA ALA 55 HA ALA 55 12.803 -10.560 4.316 393 1HB ALA 55 1HB ALA 55 14.348 -10.622 2.428 394 2HB ALA 55 2HB ALA 55 12.772 -10.005 1.879 395 3HB ALA 55 3HB ALA 55 14.124 -8.879 2.147 396 H GLU 56 H GLU 56 14.766 -7.566 3.654 397 HA GLU 56 HA GLU 56 16.882 -8.344 5.206 398 1HB GLU 56 1HB GLU 56 16.356 -6.238 3.556 399 2HB GLU 56 2HB GLU 56 16.262 -5.419 5.102 400 1HG GLU 56 1HG GLU 56 18.575 -7.247 4.950 401 2HG GLU 56 2HG GLU 56 18.613 -6.027 3.692 402 H CYS 57 H CYS 57 17.662 -7.155 7.279 403 HA CYS 57 HA CYS 57 16.171 -7.837 9.391 404 1HB CYS 57 1HB CYS 57 18.314 -5.832 8.957 405 2HB CYS 57 2HB CYS 57 17.403 -5.685 10.447 406 H THR 58 H THR 58 14.914 -6.462 10.996 407 HA THR 58 HA THR 58 12.670 -5.378 9.985 408 HB THR 58 HB THR 58 13.273 -5.916 12.411 409 HG1 THR 58 HG1 THR 58 11.660 -4.406 12.980 410 1HG2 THR 58 1HG2 THR 58 14.513 -3.128 12.165 411 2HG2 THR 58 2HG2 THR 58 14.024 -3.846 13.719 412 3HG2 THR 58 3HG2 THR 58 15.310 -4.607 12.753 413 H PHE 59 H PHE 59 11.815 -3.163 9.830 414 HA PHE 59 HA PHE 59 11.840 -1.170 8.889 415 1HB PHE 59 1HB PHE 59 14.385 -1.338 10.519 416 2HB PHE 59 2HB PHE 59 14.281 0.013 9.407 417 HD1 PHE 59 HD1 PHE 59 12.509 1.717 9.692 418 HD2 PHE 59 HD2 PHE 59 13.052 -1.410 12.509 419 HE1 PHE 59 HE1 PHE 59 11.145 2.991 11.369 420 HE2 PHE 59 HE2 PHE 59 11.688 -0.135 14.187 421 HZ PHE 59 HZ PHE 59 10.751 2.050 13.597 No H/Q in entry = 421 Start of MODEL 84 1 H GLU 1 H GLU 1 2.460 -8.313 19.439 2 HA GLU 1 HA GLU 1 5.248 -8.193 20.176 3 1HB GLU 1 1HB GLU 1 2.982 -8.531 22.085 4 2HB GLU 1 2HB GLU 1 4.294 -9.677 22.280 5 1HG GLU 1 1HG GLU 1 5.251 -6.909 21.862 6 2HG GLU 1 2HG GLU 1 4.239 -7.066 23.284 7 H GLU 2 H GLU 2 3.984 -9.350 17.892 8 HA GLU 2 HA GLU 2 5.073 -11.847 17.916 9 1HB GLU 2 1HB GLU 2 2.971 -13.282 17.838 10 2HB GLU 2 2HB GLU 2 3.398 -12.668 19.423 11 1HG GLU 2 1HG GLU 2 1.808 -10.631 18.701 12 2HG GLU 2 2HG GLU 2 1.138 -11.824 17.606 13 H TYR 3 H TYR 3 2.440 -9.719 16.734 14 HA TYR 3 HA TYR 3 3.240 -10.442 14.005 15 1HB TYR 3 1HB TYR 3 1.110 -11.594 14.547 16 2HB TYR 3 2HB TYR 3 0.480 -10.159 15.332 17 HD1 TYR 3 HD1 TYR 3 1.789 -11.186 11.962 18 HD2 TYR 3 HD2 TYR 3 -1.078 -8.899 14.166 19 HE1 TYR 3 HE1 TYR 3 0.671 -10.480 9.790 20 HE2 TYR 3 HE2 TYR 3 -2.186 -8.201 11.987 21 HH TYR 3 HH TYR 3 -1.210 -7.974 9.465 22 H VAL 4 H VAL 4 2.696 -8.750 12.389 23 HA VAL 4 HA VAL 4 1.817 -6.209 13.293 24 HB VAL 4 HB VAL 4 4.190 -6.430 14.199 25 1HG1 VAL 4 1HG1 VAL 4 5.145 -7.516 12.178 26 2HG1 VAL 4 2HG1 VAL 4 4.909 -5.997 11.281 27 3HG1 VAL 4 3HG1 VAL 4 6.030 -6.049 12.663 28 1HG2 VAL 4 1HG2 VAL 4 2.755 -4.280 13.502 29 2HG2 VAL 4 2HG2 VAL 4 4.420 -4.159 14.120 30 3HG2 VAL 4 3HG2 VAL 4 4.113 -4.074 12.369 31 H GLY 5 H GLY 5 2.311 -4.534 11.383 32 1HA GLY 5 1HA GLY 5 1.409 -5.889 8.974 33 2HA GLY 5 2HA GLY 5 2.965 -5.091 8.858 34 H LEU 6 H LEU 6 -0.409 -4.689 8.581 35 HA LEU 6 HA LEU 6 -0.401 -2.202 7.589 36 1HB LEU 6 1HB LEU 6 -2.789 -2.066 8.413 37 2HB LEU 6 2HB LEU 6 -2.356 -3.425 7.395 38 HG LEU 6 HG LEU 6 -2.164 -3.883 10.325 39 1HD1 LEU 6 1HD1 LEU 6 -4.807 -3.437 8.921 40 2HD1 LEU 6 2HD1 LEU 6 -4.634 -4.332 10.450 41 3HD1 LEU 6 3HD1 LEU 6 -4.178 -2.613 10.368 42 1HD2 LEU 6 1HD2 LEU 6 -2.645 -5.412 7.848 43 2HD2 LEU 6 2HD2 LEU 6 -1.812 -5.876 9.351 44 3HD2 LEU 6 3HD2 LEU 6 -3.588 -5.940 9.262 45 H SER 7 H SER 7 0.635 -0.434 8.363 46 HA SER 7 HA SER 7 -0.283 1.071 10.344 47 1HB SER 7 1HB SER 7 1.609 0.579 12.150 48 2HB SER 7 2HB SER 7 0.084 -0.284 12.187 49 HG SER 7 HG SER 7 2.575 -1.307 11.922 50 H ALA 8 H ALA 8 2.620 -0.331 8.802 51 HA ALA 8 HA ALA 8 3.486 1.841 7.511 52 1HB ALA 8 1HB ALA 8 4.253 1.980 10.419 53 2HB ALA 8 2HB ALA 8 5.400 2.567 9.191 54 3HB ALA 8 3HB ALA 8 3.776 3.286 9.308 55 H ASN 9 H ASN 9 4.226 -0.985 9.510 56 HA ASN 9 HA ASN 9 6.788 -1.479 8.790 57 1HB ASN 9 1HB ASN 9 5.784 -2.954 10.385 58 2HB ASN 9 2HB ASN 9 4.409 -3.289 9.351 59 2HD2 ASN 9 2HD2 ASN 9 7.856 -3.800 9.823 60 1HD2 ASN 9 1HD2 ASN 9 8.008 -5.265 8.910 61 H GLN 10 H GLN 10 4.179 -3.562 7.403 62 HA GLN 10 HA GLN 10 5.482 -4.298 5.180 63 1HB GLN 10 1HB GLN 10 3.117 -4.601 4.177 64 2HB GLN 10 2HB GLN 10 3.463 -5.424 5.685 65 1HG GLN 10 1HG GLN 10 2.319 -3.686 6.978 66 2HG GLN 10 2HG GLN 10 2.139 -2.677 5.556 67 2HE2 GLN 10 2HE2 GLN 10 1.308 -4.286 3.613 68 1HE2 GLN 10 1HE2 GLN 10 -0.215 -5.029 3.970 69 H CYS 11 H CYS 11 4.077 -1.161 5.882 70 HA CYS 11 HA CYS 11 4.478 -0.397 3.083 71 1HB CYS 11 1HB CYS 11 2.936 1.304 4.999 72 2HB CYS 11 2HB CYS 11 2.820 1.196 3.254 73 H ALA 12 H ALA 12 6.749 -0.745 4.682 74 HA ALA 12 HA ALA 12 7.393 1.942 5.654 75 1HB ALA 12 1HB ALA 12 9.086 0.902 6.961 76 2HB ALA 12 2HB ALA 12 9.017 -0.597 6.003 77 3HB ALA 12 3HB ALA 12 7.673 -0.173 7.089 78 H VAL 13 H VAL 13 7.109 1.744 2.880 79 HA VAL 13 HA VAL 13 9.775 1.290 1.822 80 HB VAL 13 HB VAL 13 7.665 2.360 0.075 81 1HG1 VAL 13 1HG1 VAL 13 9.867 0.380 0.017 82 2HG1 VAL 13 2HG1 VAL 13 8.449 -0.021 -0.981 83 3HG1 VAL 13 3HG1 VAL 13 9.308 1.518 -1.232 84 1HG2 VAL 13 1HG2 VAL 13 7.234 -0.146 1.692 85 2HG2 VAL 13 2HG2 VAL 13 6.086 1.155 1.295 86 3HG2 VAL 13 3HG2 VAL 13 6.584 -0.006 0.041 87 HA PRO 14 HA PRO 14 10.775 5.496 1.990 88 1HB PRO 14 1HB PRO 14 12.875 5.563 0.242 89 2HB PRO 14 2HB PRO 14 13.028 5.030 1.904 90 1HG PRO 14 1HG PRO 14 12.983 3.407 -0.566 91 2HG PRO 14 2HG PRO 14 13.551 2.960 1.031 92 1HD PRO 14 1HD PRO 14 11.074 2.184 -0.189 93 2HD PRO 14 2HD PRO 14 11.591 1.834 1.448 94 H ALA 15 H ALA 15 9.066 4.172 -0.365 95 HA ALA 15 HA ALA 15 7.660 5.208 -1.778 96 1HB ALA 15 1HB ALA 15 8.632 7.394 -0.378 97 2HB ALA 15 2HB ALA 15 7.371 7.447 -1.634 98 3HB ALA 15 3HB ALA 15 9.067 7.781 -2.060 99 H LYS 16 H LYS 16 11.114 5.007 -1.966 100 HA LYS 16 HA LYS 16 11.084 5.377 -4.857 101 1HB LYS 16 1HB LYS 16 13.533 5.280 -4.660 102 2HB LYS 16 2HB LYS 16 12.837 6.532 -3.652 103 1HG LYS 16 1HG LYS 16 14.522 5.347 -2.346 104 2HG LYS 16 2HG LYS 16 12.946 4.975 -1.676 105 1HD LYS 16 1HD LYS 16 12.963 2.769 -2.476 106 2HD LYS 16 2HD LYS 16 14.023 3.146 -3.819 107 1HE LYS 16 1HE LYS 16 15.924 2.784 -2.586 108 2HE LYS 16 2HE LYS 16 15.291 3.620 -1.182 109 1HZ LYS 16 1HZ LYS 16 13.893 1.628 -0.809 110 2HZ LYS 16 2HZ LYS 16 14.714 0.860 -1.993 111 3HZ LYS 16 3HZ LYS 16 15.495 1.357 -0.647 112 H ASP 17 H ASP 17 10.040 3.029 -2.922 113 HA ASP 17 HA ASP 17 11.135 0.987 -4.682 114 1HB ASP 17 1HB ASP 17 11.436 1.188 -1.819 115 2HB ASP 17 2HB ASP 17 10.374 -0.168 -2.142 116 H ARG 18 H ARG 18 8.570 2.746 -4.372 117 HA ARG 18 HA ARG 18 6.571 0.951 -3.526 118 1HB ARG 18 1HB ARG 18 6.199 3.421 -5.285 119 2HB ARG 18 2HB ARG 18 5.007 2.691 -4.228 120 1HG ARG 18 1HG ARG 18 7.624 3.950 -3.277 121 2HG ARG 18 2HG ARG 18 6.067 4.754 -3.248 122 1HD ARG 18 1HD ARG 18 5.270 2.643 -1.870 123 2HD ARG 18 2HD ARG 18 6.981 2.364 -1.613 124 HE ARG 18 HE ARG 18 6.922 4.072 -0.035 125 1HH1 ARG 18 1HH1 ARG 18 4.436 4.710 -2.443 126 2HH1 ARG 18 2HH1 ARG 18 3.869 6.149 -1.663 127 1HH2 ARG 18 1HH2 ARG 18 6.175 5.970 0.994 128 2HH2 ARG 18 2HH2 ARG 18 4.865 6.871 0.306 129 H VAL 19 H VAL 19 5.813 -0.778 -4.705 130 HA VAL 19 HA VAL 19 6.512 -1.006 -7.473 131 HB VAL 19 HB VAL 19 4.742 -2.777 -5.781 132 1HG1 VAL 19 1HG1 VAL 19 5.974 -2.977 -8.479 133 2HG1 VAL 19 2HG1 VAL 19 6.051 -4.437 -7.464 134 3HG1 VAL 19 3HG1 VAL 19 4.476 -3.697 -7.840 135 1HG2 VAL 19 1HG2 VAL 19 7.745 -2.555 -5.932 136 2HG2 VAL 19 2HG2 VAL 19 6.693 -2.704 -4.504 137 3HG2 VAL 19 3HG2 VAL 19 6.963 -4.110 -5.562 138 H ASP 20 H ASP 20 4.046 0.573 -5.734 139 HA ASP 20 HA ASP 20 2.175 1.509 -6.300 140 1HB ASP 20 1HB ASP 20 3.204 2.531 -8.192 141 2HB ASP 20 2HB ASP 20 3.341 1.012 -9.055 142 H CYS 21 H CYS 21 0.284 0.385 -5.813 143 HA CYS 21 HA CYS 21 -0.108 -2.241 -6.854 144 1HB CYS 21 1HB CYS 21 -0.923 -0.855 -4.588 145 2HB CYS 21 2HB CYS 21 -2.401 -1.035 -5.512 146 H GLY 22 H GLY 22 -0.586 0.921 -8.012 147 1HA GLY 22 1HA GLY 22 -1.834 0.210 -10.365 148 2HA GLY 22 2HA GLY 22 -1.794 1.822 -9.679 149 H TYR 23 H TYR 23 -3.490 2.420 -8.048 150 HA TYR 23 HA TYR 23 -6.016 1.214 -8.839 151 1HB TYR 23 1HB TYR 23 -4.701 0.379 -6.552 152 2HB TYR 23 2HB TYR 23 -5.496 1.803 -5.909 153 HD1 TYR 23 HD1 TYR 23 -6.709 -0.721 -8.404 154 HD2 TYR 23 HD2 TYR 23 -7.218 1.035 -4.536 155 HE1 TYR 23 HE1 TYR 23 -8.845 -2.059 -8.070 156 HE2 TYR 23 HE2 TYR 23 -9.352 -0.309 -4.215 157 HH TYR 23 HH TYR 23 -11.045 -1.356 -5.610 158 HA PRO 24 HA PRO 24 -7.184 5.376 -8.582 159 1HB PRO 24 1HB PRO 24 -9.904 5.129 -8.693 160 2HB PRO 24 2HB PRO 24 -8.877 5.064 -10.112 161 1HG PRO 24 1HG PRO 24 -10.246 2.849 -8.712 162 2HG PRO 24 2HG PRO 24 -9.583 2.880 -10.334 163 1HD PRO 24 1HD PRO 24 -8.418 1.637 -8.027 164 2HD PRO 24 2HD PRO 24 -7.701 1.768 -9.621 165 H HIS 25 H HIS 25 -9.889 3.958 -6.859 166 HA HIS 25 HA HIS 25 -9.732 5.926 -4.874 167 1HB HIS 25 1HB HIS 25 -11.721 5.113 -4.248 168 2HB HIS 25 2HB HIS 25 -11.620 4.167 -5.719 169 HD1 HIS 25 HD1 HIS 25 -12.225 3.780 -2.201 170 HD2 HIS 25 HD2 HIS 25 -10.285 1.488 -5.130 171 HE1 HIS 25 HE1 HIS 25 -12.091 1.405 -1.278 172 HE2 HIS 25 HE2 HIS 25 -10.939 0.032 -3.144 173 H VAL 26 H VAL 26 -7.761 6.068 -3.809 174 HA VAL 26 HA VAL 26 -7.043 3.677 -2.261 175 HB VAL 26 HB VAL 26 -4.676 4.442 -2.500 176 1HG1 VAL 26 1HG1 VAL 26 -6.313 3.453 -4.825 177 2HG1 VAL 26 2HG1 VAL 26 -4.562 3.719 -5.008 178 3HG1 VAL 26 3HG1 VAL 26 -5.164 2.572 -3.788 179 1HG2 VAL 26 1HG2 VAL 26 -5.288 6.794 -3.194 180 2HG2 VAL 26 2HG2 VAL 26 -4.036 6.009 -4.187 181 3HG2 VAL 26 3HG2 VAL 26 -5.704 6.136 -4.795 182 H THR 27 H THR 27 -7.059 4.013 -0.096 183 HA THR 27 HA THR 27 -6.528 6.717 0.878 184 HB THR 27 HB THR 27 -8.625 6.964 1.878 185 HG1 THR 27 HG1 THR 27 -9.190 5.203 3.090 186 1HG2 THR 27 1HG2 THR 27 -9.259 4.896 -0.295 187 2HG2 THR 27 2HG2 THR 27 -10.452 5.953 0.497 188 3HG2 THR 27 3HG2 THR 27 -9.188 6.658 -0.538 189 HA PRO 28 HA PRO 28 -4.566 4.694 4.121 190 1HB PRO 28 1HB PRO 28 -5.229 6.076 6.383 191 2HB PRO 28 2HB PRO 28 -4.045 6.646 5.224 192 1HG PRO 28 1HG PRO 28 -6.814 7.585 5.658 193 2HG PRO 28 2HG PRO 28 -5.498 8.393 4.829 194 1HD PRO 28 1HD PRO 28 -7.726 7.054 3.615 195 2HD PRO 28 2HD PRO 28 -6.351 7.761 2.790 196 H LYS 29 H LYS 29 -6.917 3.376 3.314 197 HA LYS 29 HA LYS 29 -7.126 1.561 5.409 198 1HB LYS 29 1HB LYS 29 -8.412 3.666 6.304 199 2HB LYS 29 2HB LYS 29 -9.685 3.129 5.226 200 1HG LYS 29 1HG LYS 29 -8.633 0.845 6.699 201 2HG LYS 29 2HG LYS 29 -9.061 2.118 7.824 202 1HD LYS 29 1HD LYS 29 -11.336 2.239 6.945 203 2HD LYS 29 2HD LYS 29 -10.936 1.177 5.610 204 1HE LYS 29 1HE LYS 29 -11.623 -0.559 6.906 205 2HE LYS 29 2HE LYS 29 -10.183 -0.313 7.875 206 1HZ LYS 29 1HZ LYS 29 -11.534 1.394 9.090 207 2HZ LYS 29 2HZ LYS 29 -12.853 0.795 8.337 208 3HZ LYS 29 3HZ LYS 29 -11.972 -0.161 9.325 209 H GLU 30 H GLU 30 -8.898 3.177 2.702 210 HA GLU 30 HA GLU 30 -10.142 0.785 1.912 211 1HB GLU 30 1HB GLU 30 -10.080 3.585 1.077 212 2HB GLU 30 2HB GLU 30 -10.049 2.527 -0.320 213 1HG GLU 30 1HG GLU 30 -12.371 2.875 0.161 214 2HG GLU 30 2HG GLU 30 -12.018 1.254 0.726 215 H CYS 31 H CYS 31 -7.130 2.512 0.998 216 HA CYS 31 HA CYS 31 -6.590 0.842 -1.219 217 1HB CYS 31 1HB CYS 31 -5.542 2.875 -1.386 218 2HB CYS 31 2HB CYS 31 -5.112 2.933 0.312 219 H ASN 32 H ASN 32 -6.136 0.710 2.288 220 HA ASN 32 HA ASN 32 -4.257 -1.464 2.017 221 1HB ASN 32 1HB ASN 32 -3.570 -0.867 4.127 222 2HB ASN 32 2HB ASN 32 -4.533 0.578 3.893 223 2HD2 ASN 32 2HD2 ASN 32 -3.964 -2.009 5.854 224 1HD2 ASN 32 1HD2 ASN 32 -5.439 -2.073 6.761 225 H ASN 33 H ASN 33 -7.508 -1.125 1.689 226 HA ASN 33 HA ASN 33 -8.202 -3.367 3.390 227 1HB ASN 33 1HB ASN 33 -9.718 -1.434 3.530 228 2HB ASN 33 2HB ASN 33 -9.889 -1.379 1.787 229 2HD2 ASN 33 2HD2 ASN 33 -11.034 -3.006 0.698 230 1HD2 ASN 33 1HD2 ASN 33 -12.212 -3.998 1.490 231 H ARG 34 H ARG 34 -8.122 -2.156 -0.006 232 HA ARG 34 HA ARG 34 -9.435 -4.274 -1.173 233 1HB ARG 34 1HB ARG 34 -8.542 -1.942 -2.119 234 2HB ARG 34 2HB ARG 34 -7.132 -2.880 -2.572 235 1HG ARG 34 1HG ARG 34 -9.948 -3.776 -3.311 236 2HG ARG 34 2HG ARG 34 -9.043 -2.667 -4.322 237 1HD ARG 34 1HD ARG 34 -7.225 -4.772 -3.745 238 2HD ARG 34 2HD ARG 34 -8.754 -5.571 -4.052 239 HE ARG 34 HE ARG 34 -8.280 -3.527 -6.040 240 1HH1 ARG 34 1HH1 ARG 34 -7.285 -6.770 -5.105 241 2HH1 ARG 34 2HH1 ARG 34 -6.838 -7.235 -6.712 242 1HH2 ARG 34 1HH2 ARG 34 -7.690 -4.140 -8.161 243 2HH2 ARG 34 2HH2 ARG 34 -7.070 -5.728 -8.463 244 H GLY 35 H GLY 35 -6.226 -3.997 0.212 245 1HA GLY 35 1HA GLY 35 -5.552 -6.674 -0.851 246 2HA GLY 35 2HA GLY 35 -5.139 -6.089 0.748 247 H CYS 36 H CYS 36 -3.730 -4.030 0.832 248 HA CYS 36 HA CYS 36 -1.385 -4.504 -0.539 249 1HB CYS 36 1HB CYS 36 -3.168 -3.317 -2.274 250 2HB CYS 36 2HB CYS 36 -2.268 -1.943 -1.662 251 H CYS 37 H CYS 37 -0.640 -1.588 -0.700 252 HA CYS 37 HA CYS 37 -0.985 -0.891 2.124 253 1HB CYS 37 1HB CYS 37 1.507 -1.223 0.546 254 2HB CYS 37 2HB CYS 37 1.435 0.175 1.601 255 H PHE 38 H PHE 38 -1.015 1.445 2.524 256 HA PHE 38 HA PHE 38 -1.497 2.980 0.067 257 1HB PHE 38 1HB PHE 38 -3.545 2.611 1.420 258 2HB PHE 38 2HB PHE 38 -2.698 3.036 2.894 259 HD1 PHE 38 HD1 PHE 38 -4.020 4.403 -0.276 260 HD2 PHE 38 HD2 PHE 38 -2.525 5.292 3.595 261 HE1 PHE 38 HE1 PHE 38 -4.765 6.786 -0.535 262 HE2 PHE 38 HE2 PHE 38 -3.270 7.675 3.336 263 HZ PHE 38 HZ PHE 38 -4.381 8.394 1.274 264 H ASP 39 H ASP 39 -1.350 5.495 0.645 265 HA ASP 39 HA ASP 39 0.286 6.313 2.689 266 1HB ASP 39 1HB ASP 39 2.128 5.106 1.685 267 2HB ASP 39 2HB ASP 39 1.715 5.672 0.079 268 H SER 40 H SER 40 0.466 8.657 2.601 269 HA SER 40 HA SER 40 -0.354 9.875 0.104 270 1HB SER 40 1HB SER 40 -1.979 11.336 1.257 271 2HB SER 40 2HB SER 40 -2.423 9.649 1.427 272 HG SER 40 HG SER 40 -2.557 10.925 3.438 273 H ARG 41 H ARG 41 2.130 9.526 1.940 274 HA ARG 41 HA ARG 41 2.596 12.026 3.089 275 1HB ARG 41 1HB ARG 41 3.808 9.579 3.245 276 2HB ARG 41 2HB ARG 41 4.928 10.374 2.157 277 1HG ARG 41 1HG ARG 41 4.422 12.301 4.164 278 2HG ARG 41 2HG ARG 41 4.529 10.786 5.038 279 1HD ARG 41 1HD ARG 41 6.787 10.746 4.791 280 2HD ARG 41 2HD ARG 41 6.638 10.844 3.047 281 HE ARG 41 HE ARG 41 6.950 13.189 3.148 282 1HH1 ARG 41 1HH1 ARG 41 6.581 11.853 6.382 283 2HH1 ARG 41 2HH1 ARG 41 7.099 13.302 7.178 284 1HH2 ARG 41 1HH2 ARG 41 7.633 15.100 4.197 285 2HH2 ARG 41 2HH2 ARG 41 7.701 15.161 5.927 286 H ILE 42 H ILE 42 3.053 10.633 -0.153 287 HA ILE 42 HA ILE 42 3.633 13.250 -1.185 288 HB ILE 42 HB ILE 42 5.636 11.874 -2.439 289 1HG1 ILE 42 1HG1 ILE 42 7.036 10.943 -0.581 290 2HG1 ILE 42 2HG1 ILE 42 5.643 11.048 0.478 291 1HG2 ILE 42 1HG2 ILE 42 5.520 13.898 -0.236 292 2HG2 ILE 42 2HG2 ILE 42 7.097 13.228 -0.720 293 3HG2 ILE 42 3HG2 ILE 42 6.080 14.064 -1.918 294 1HD1 ILE 42 1HD1 ILE 42 4.351 9.569 -1.068 295 2HD1 ILE 42 2HD1 ILE 42 5.782 9.448 -2.120 296 3HD1 ILE 42 3HD1 ILE 42 5.830 8.778 -0.472 297 HA PRO 43 HA PRO 43 1.211 11.322 -4.227 298 1HB PRO 43 1HB PRO 43 0.978 13.437 -5.941 299 2HB PRO 43 2HB PRO 43 -0.044 13.228 -4.533 300 1HG PRO 43 1HG PRO 43 2.207 15.102 -4.927 301 2HG PRO 43 2HG PRO 43 0.928 15.160 -3.731 302 1HD PRO 43 1HD PRO 43 3.640 14.331 -3.303 303 2HD PRO 43 2HD PRO 43 2.332 14.279 -2.138 304 H GLY 44 H GLY 44 4.134 13.034 -5.080 305 1HA GLY 44 1HA GLY 44 5.829 12.325 -6.408 306 2HA GLY 44 2HA GLY 44 4.577 12.344 -7.634 307 H VAL 45 H VAL 45 4.669 10.135 -4.795 308 HA VAL 45 HA VAL 45 5.441 7.950 -6.571 309 HB VAL 45 HB VAL 45 6.207 6.847 -4.719 310 1HG1 VAL 45 1HG1 VAL 45 6.419 9.783 -3.970 311 2HG1 VAL 45 2HG1 VAL 45 7.385 8.474 -3.247 312 3HG1 VAL 45 3HG1 VAL 45 7.548 8.848 -4.980 313 1HG2 VAL 45 1HG2 VAL 45 4.294 8.481 -3.018 314 2HG2 VAL 45 2HG2 VAL 45 4.139 6.763 -3.457 315 3HG2 VAL 45 3HG2 VAL 45 5.459 7.293 -2.386 316 HA PRO 46 HA PRO 46 1.499 6.178 -6.469 317 1HB PRO 46 1HB PRO 46 1.930 3.496 -6.169 318 2HB PRO 46 2HB PRO 46 2.146 4.337 -7.691 319 1HG PRO 46 1HG PRO 46 4.203 3.343 -5.815 320 2HG PRO 46 2HG PRO 46 4.379 3.791 -7.500 321 1HD PRO 46 1HD PRO 46 5.180 5.338 -5.221 322 2HD PRO 46 2HD PRO 46 5.249 5.833 -6.900 323 H TRP 47 H TRP 47 0.634 7.284 -4.676 324 HA TRP 47 HA TRP 47 0.901 6.898 -2.118 325 1HB TRP 47 1HB TRP 47 -1.565 7.183 -3.770 326 2HB TRP 47 2HB TRP 47 -1.755 6.847 -2.061 327 HD1 TRP 47 HD1 TRP 47 1.157 9.101 -3.173 328 HE1 TRP 47 HE1 TRP 47 0.813 11.588 -2.360 329 HE3 TRP 47 HE3 TRP 47 -3.597 8.448 -1.491 330 HZ2 TRP 47 HZ2 TRP 47 -1.360 12.971 -1.132 331 HZ3 TRP 47 HZ3 TRP 47 -4.759 10.418 -0.499 332 HH2 TRP 47 HH2 TRP 47 -3.717 12.620 -0.305 333 H CYS 48 H CYS 48 -1.176 4.670 -4.118 334 HA CYS 48 HA CYS 48 -1.074 2.738 -1.971 335 1HB CYS 48 1HB CYS 48 -3.136 3.366 -3.407 336 2HB CYS 48 2HB CYS 48 -2.422 2.333 -4.629 337 H PHE 49 H PHE 49 0.555 1.230 -1.903 338 HA PHE 49 HA PHE 49 1.594 0.255 -4.446 339 1HB PHE 49 1HB PHE 49 3.918 0.445 -3.269 340 2HB PHE 49 2HB PHE 49 3.211 1.954 -3.811 341 HD1 PHE 49 HD1 PHE 49 3.428 -0.221 -0.793 342 HD2 PHE 49 HD2 PHE 49 2.998 3.717 -2.316 343 HE1 PHE 49 HE1 PHE 49 3.607 0.699 1.536 344 HE2 PHE 49 HE2 PHE 49 3.177 4.637 0.013 345 HZ PHE 49 HZ PHE 49 3.480 3.117 1.911 346 H LYS 50 H LYS 50 3.103 -1.715 -4.022 347 HA LYS 50 HA LYS 50 1.637 -3.524 -2.401 348 1HB LYS 50 1HB LYS 50 4.214 -3.798 -3.972 349 2HB LYS 50 2HB LYS 50 3.435 -5.126 -3.138 350 1HG LYS 50 1HG LYS 50 1.292 -4.126 -4.530 351 2HG LYS 50 2HG LYS 50 2.591 -3.686 -5.621 352 1HD LYS 50 1HD LYS 50 3.194 -6.339 -4.837 353 2HD LYS 50 2HD LYS 50 1.456 -6.334 -5.063 354 1HE LYS 50 1HE LYS 50 2.497 -4.843 -7.252 355 2HE LYS 50 2HE LYS 50 3.574 -6.215 -7.077 356 1HZ LYS 50 1HZ LYS 50 0.645 -6.409 -7.228 357 2HZ LYS 50 2HZ LYS 50 1.666 -6.694 -8.470 358 3HZ LYS 50 3HZ LYS 50 1.686 -7.665 -7.157 359 HA PRO 51 HA PRO 51 3.918 -3.364 1.259 360 1HB PRO 51 1HB PRO 51 3.981 -5.958 2.116 361 2HB PRO 51 2HB PRO 51 2.578 -4.923 2.295 362 1HG PRO 51 1HG PRO 51 3.019 -7.132 0.381 363 2HG PRO 51 2HG PRO 51 1.510 -6.381 0.862 364 1HD PRO 51 1HD PRO 51 2.933 -5.955 -1.592 365 2HD PRO 51 2HD PRO 51 1.488 -5.119 -1.060 366 H LEU 52 H LEU 52 5.960 -2.850 1.711 367 HA LEU 52 HA LEU 52 8.034 -3.314 0.154 368 1HB LEU 52 1HB LEU 52 8.409 -1.939 1.960 369 2HB LEU 52 2HB LEU 52 7.803 -3.100 3.124 370 HG LEU 52 HG LEU 52 10.275 -3.876 1.663 371 1HD1 LEU 52 1HD1 LEU 52 10.103 -1.477 3.452 372 2HD1 LEU 52 2HD1 LEU 52 11.548 -2.516 3.508 373 3HD1 LEU 52 3HD1 LEU 52 11.067 -1.741 1.979 374 1HD2 LEU 52 1HD2 LEU 52 8.953 -5.068 3.613 375 2HD2 LEU 52 2HD2 LEU 52 10.730 -5.116 3.531 376 3HD2 LEU 52 3HD2 LEU 52 9.921 -3.974 4.631 377 H GLN 53 H GLN 53 8.934 -5.044 -0.812 378 HA GLN 53 HA GLN 53 8.386 -7.625 0.320 379 1HB GLN 53 1HB GLN 53 9.639 -8.367 -1.837 380 2HB GLN 53 2HB GLN 53 8.070 -7.607 -2.015 381 1HG GLN 53 1HG GLN 53 10.393 -5.727 -1.967 382 2HG GLN 53 2HG GLN 53 10.333 -6.799 -3.352 383 2HE2 GLN 53 2HE2 GLN 53 9.739 -3.834 -2.689 384 1HE2 GLN 53 1HE2 GLN 53 8.256 -3.498 -3.519 385 H GLU 54 H GLU 54 10.045 -6.073 2.002 386 HA GLU 54 HA GLU 54 12.558 -7.514 1.668 387 1HB GLU 54 1HB GLU 54 12.215 -4.710 1.604 388 2HB GLU 54 2HB GLU 54 12.840 -5.038 3.208 389 1HG GLU 54 1HG GLU 54 14.876 -5.820 2.418 390 2HG GLU 54 2HG GLU 54 14.177 -6.507 0.965 391 H ALA 55 H ALA 55 10.313 -8.550 3.055 392 HA ALA 55 HA ALA 55 11.209 -8.256 5.841 393 1HB ALA 55 1HB ALA 55 8.950 -7.285 5.391 394 2HB ALA 55 2HB ALA 55 8.408 -8.883 4.825 395 3HB ALA 55 3HB ALA 55 8.900 -8.660 6.521 396 H GLU 56 H GLU 56 12.558 -9.997 6.114 397 HA GLU 56 HA GLU 56 11.766 -12.491 4.901 398 1HB GLU 56 1HB GLU 56 14.285 -11.312 5.956 399 2HB GLU 56 2HB GLU 56 14.101 -13.026 6.267 400 1HG GLU 56 1HG GLU 56 13.274 -12.804 3.606 401 2HG GLU 56 2HG GLU 56 14.562 -11.619 3.703 402 H CYS 57 H CYS 57 12.727 -11.230 8.175 403 HA CYS 57 HA CYS 57 11.724 -13.607 9.416 404 1HB CYS 57 1HB CYS 57 12.322 -12.430 11.526 405 2HB CYS 57 2HB CYS 57 13.649 -12.658 10.404 406 H THR 58 H THR 58 9.486 -13.391 8.496 407 HA THR 58 HA THR 58 7.909 -11.471 10.077 408 HB THR 58 HB THR 58 7.738 -12.260 7.132 409 HG1 THR 58 HG1 THR 58 9.032 -10.395 8.169 410 1HG2 THR 58 1HG2 THR 58 5.422 -12.254 8.241 411 2HG2 THR 58 2HG2 THR 58 5.740 -10.569 8.717 412 3HG2 THR 58 3HG2 THR 58 5.650 -11.005 6.994 413 H PHE 59 H PHE 59 5.749 -12.157 10.652 414 HA PHE 59 HA PHE 59 4.445 -13.639 11.652 415 1HB PHE 59 1HB PHE 59 4.341 -13.999 8.969 416 2HB PHE 59 2HB PHE 59 5.065 -15.548 9.355 417 HD1 PHE 59 HD1 PHE 59 3.808 -16.801 11.389 418 HD2 PHE 59 HD2 PHE 59 2.049 -13.943 8.792 419 HE1 PHE 59 HE1 PHE 59 1.535 -17.737 11.898 420 HE2 PHE 59 HE2 PHE 59 -0.224 -14.879 9.300 421 HZ PHE 59 HZ PHE 59 -0.454 -16.765 10.847 No H/Q in entry = 421 Start of MODEL 85 1 H GLU 1 H GLU 1 11.095 -9.404 12.135 2 HA GLU 1 HA GLU 1 10.535 -7.593 14.159 3 1HB GLU 1 1HB GLU 1 11.684 -6.358 11.855 4 2HB GLU 1 2HB GLU 1 9.975 -5.972 11.815 5 1HG GLU 1 1HG GLU 1 10.315 -5.433 14.395 6 2HG GLU 1 2HG GLU 1 12.010 -5.322 13.964 7 H GLU 2 H GLU 2 8.692 -8.806 14.572 8 HA GLU 2 HA GLU 2 6.729 -9.704 14.302 9 1HB GLU 2 1HB GLU 2 6.584 -7.115 12.865 10 2HB GLU 2 2HB GLU 2 5.327 -8.245 12.404 11 1HG GLU 2 1HG GLU 2 4.209 -7.633 14.281 12 2HG GLU 2 2HG GLU 2 5.429 -8.487 15.205 13 H TYR 3 H TYR 3 4.966 -10.419 12.416 14 HA TYR 3 HA TYR 3 6.624 -11.758 10.387 15 1HB TYR 3 1HB TYR 3 4.795 -13.498 10.560 16 2HB TYR 3 2HB TYR 3 5.530 -13.214 12.125 17 HD1 TYR 3 HD1 TYR 3 4.329 -11.718 13.795 18 HD2 TYR 3 HD2 TYR 3 2.474 -13.120 10.203 19 HE1 TYR 3 HE1 TYR 3 2.038 -11.203 14.769 20 HE2 TYR 3 HE2 TYR 3 0.189 -12.600 11.189 21 HH TYR 3 HH TYR 3 -0.904 -12.072 13.011 22 H VAL 4 H VAL 4 3.401 -10.255 11.075 23 HA VAL 4 HA VAL 4 3.363 -9.241 8.377 24 HB VAL 4 HB VAL 4 1.654 -11.488 9.313 25 1HG1 VAL 4 1HG1 VAL 4 0.629 -9.202 7.603 26 2HG1 VAL 4 2HG1 VAL 4 -0.123 -10.815 7.655 27 3HG1 VAL 4 3HG1 VAL 4 -0.052 -9.818 9.128 28 1HG2 VAL 4 1HG2 VAL 4 3.106 -10.650 6.835 29 2HG2 VAL 4 2HG2 VAL 4 3.059 -12.227 7.659 30 3HG2 VAL 4 3HG2 VAL 4 1.682 -11.704 6.660 31 H GLY 5 H GLY 5 2.401 -7.245 8.341 32 1HA GLY 5 1HA GLY 5 1.746 -5.978 10.758 33 2HA GLY 5 2HA GLY 5 0.257 -6.469 9.975 34 H LEU 6 H LEU 6 -0.527 -5.319 8.204 35 HA LEU 6 HA LEU 6 1.277 -3.522 6.826 36 1HB LEU 6 1HB LEU 6 -1.205 -3.135 5.748 37 2HB LEU 6 2HB LEU 6 0.020 -4.241 5.159 38 HG LEU 6 HG LEU 6 -2.179 -5.301 5.300 39 1HD1 LEU 6 1HD1 LEU 6 0.249 -6.295 6.440 40 2HD1 LEU 6 2HD1 LEU 6 -1.129 -6.959 7.349 41 3HD1 LEU 6 3HD1 LEU 6 -1.038 -7.179 5.585 42 1HD2 LEU 6 1HD2 LEU 6 -2.079 -4.270 8.092 43 2HD2 LEU 6 2HD2 LEU 6 -3.448 -4.415 6.964 44 3HD2 LEU 6 3HD2 LEU 6 -2.847 -5.853 7.823 45 H SER 7 H SER 7 1.397 -1.341 7.129 46 HA SER 7 HA SER 7 -0.489 0.379 7.765 47 1HB SER 7 1HB SER 7 -0.092 0.667 10.349 48 2HB SER 7 2HB SER 7 -1.249 -0.522 9.783 49 HG SER 7 HG SER 7 1.517 -1.165 10.337 50 H ALA 8 H ALA 8 2.781 -0.828 8.285 51 HA ALA 8 HA ALA 8 3.914 1.635 7.503 52 1HB ALA 8 1HB ALA 8 4.278 2.662 9.466 53 2HB ALA 8 2HB ALA 8 5.073 1.207 10.112 54 3HB ALA 8 3HB ALA 8 3.312 1.406 10.276 55 H ASN 9 H ASN 9 4.375 -1.451 9.339 56 HA ASN 9 HA ASN 9 7.010 -1.813 8.823 57 1HB ASN 9 1HB ASN 9 4.779 -3.913 8.894 58 2HB ASN 9 2HB ASN 9 6.485 -4.293 9.021 59 2HD2 ASN 9 2HD2 ASN 9 4.974 -5.129 11.001 60 1HD2 ASN 9 1HD2 ASN 9 5.170 -4.199 12.449 61 H GLN 10 H GLN 10 4.247 -3.383 7.018 62 HA GLN 10 HA GLN 10 5.927 -4.094 4.876 63 1HB GLN 10 1HB GLN 10 2.943 -3.977 4.534 64 2HB GLN 10 2HB GLN 10 4.070 -5.220 4.030 65 1HG GLN 10 1HG GLN 10 4.384 -5.367 6.755 66 2HG GLN 10 2HG GLN 10 2.714 -4.842 6.669 67 2HE2 GLN 10 2HE2 GLN 10 4.641 -7.452 6.846 68 1HE2 GLN 10 1HE2 GLN 10 3.655 -8.673 6.113 69 H CYS 11 H CYS 11 4.255 -1.192 5.782 70 HA CYS 11 HA CYS 11 4.440 -0.222 3.025 71 1HB CYS 11 1HB CYS 11 2.913 1.259 5.120 72 2HB CYS 11 2HB CYS 11 2.675 1.204 3.385 73 H ALA 12 H ALA 12 6.780 -0.542 4.658 74 HA ALA 12 HA ALA 12 7.317 2.202 5.548 75 1HB ALA 12 1HB ALA 12 9.440 0.701 6.400 76 2HB ALA 12 2HB ALA 12 7.971 0.995 7.362 77 3HB ALA 12 3HB ALA 12 8.136 -0.511 6.427 78 H VAL 13 H VAL 13 7.141 1.875 2.791 79 HA VAL 13 HA VAL 13 9.836 1.379 1.835 80 HB VAL 13 HB VAL 13 7.758 2.393 0.005 81 1HG1 VAL 13 1HG1 VAL 13 10.064 0.592 0.003 82 2HG1 VAL 13 2HG1 VAL 13 8.666 -0.079 -0.872 83 3HG1 VAL 13 3HG1 VAL 13 9.325 1.509 -1.332 84 1HG2 VAL 13 1HG2 VAL 13 7.342 -0.084 1.669 85 2HG2 VAL 13 2HG2 VAL 13 6.177 1.182 1.214 86 3HG2 VAL 13 3HG2 VAL 13 6.728 0.002 0.001 87 HA PRO 14 HA PRO 14 10.882 5.573 1.803 88 1HB PRO 14 1HB PRO 14 12.898 5.591 -0.041 89 2HB PRO 14 2HB PRO 14 13.124 5.084 1.621 90 1HG PRO 14 1HG PRO 14 12.950 3.420 -0.817 91 2HG PRO 14 2HG PRO 14 13.587 2.995 0.760 92 1HD PRO 14 1HD PRO 14 11.050 2.222 -0.331 93 2HD PRO 14 2HD PRO 14 11.639 1.895 1.287 94 H ALA 15 H ALA 15 9.157 4.169 -0.551 95 HA ALA 15 HA ALA 15 7.672 5.193 -1.905 96 1HB ALA 15 1HB ALA 15 8.536 7.376 -0.517 97 2HB ALA 15 2HB ALA 15 7.388 7.455 -1.875 98 3HB ALA 15 3HB ALA 15 9.116 7.780 -2.150 99 H LYS 16 H LYS 16 11.179 5.328 -2.203 100 HA LYS 16 HA LYS 16 11.026 5.561 -5.089 101 1HB LYS 16 1HB LYS 16 13.460 5.638 -4.987 102 2HB LYS 16 2HB LYS 16 12.752 6.809 -3.894 103 1HG LYS 16 1HG LYS 16 14.237 5.883 -2.397 104 2HG LYS 16 2HG LYS 16 12.948 4.718 -2.172 105 1HD LYS 16 1HD LYS 16 14.637 3.217 -2.635 106 2HD LYS 16 2HD LYS 16 14.158 3.543 -4.289 107 1HE LYS 16 1HE LYS 16 16.249 4.306 -4.720 108 2HE LYS 16 2HE LYS 16 15.981 5.625 -3.598 109 1HZ LYS 16 1HZ LYS 16 16.616 3.086 -2.404 110 2HZ LYS 16 2HZ LYS 16 17.824 3.785 -3.252 111 3HZ LYS 16 3HZ LYS 16 17.132 4.583 -2.006 112 H ASP 17 H ASP 17 10.202 3.184 -3.056 113 HA ASP 17 HA ASP 17 11.306 1.179 -4.852 114 1HB ASP 17 1HB ASP 17 12.533 0.926 -2.776 115 2HB ASP 17 2HB ASP 17 11.077 1.094 -1.816 116 H ARG 18 H ARG 18 8.684 2.768 -4.552 117 HA ARG 18 HA ARG 18 6.816 0.936 -3.499 118 1HB ARG 18 1HB ARG 18 6.223 3.248 -5.404 119 2HB ARG 18 2HB ARG 18 5.139 2.547 -4.219 120 1HG ARG 18 1HG ARG 18 7.768 3.746 -3.305 121 2HG ARG 18 2HG ARG 18 6.422 4.805 -3.674 122 1HD ARG 18 1HD ARG 18 5.191 2.866 -2.107 123 2HD ARG 18 2HD ARG 18 6.785 2.944 -1.383 124 HE ARG 18 HE ARG 18 5.532 5.565 -1.893 125 1HH1 ARG 18 1HH1 ARG 18 6.067 2.968 0.421 126 2HH1 ARG 18 2HH1 ARG 18 5.730 3.958 1.802 127 1HH2 ARG 18 1HH2 ARG 18 5.088 6.870 -0.071 128 2HH2 ARG 18 2HH2 ARG 18 5.169 6.192 1.521 129 H VAL 19 H VAL 19 5.637 -0.665 -4.577 130 HA VAL 19 HA VAL 19 6.451 -1.221 -7.294 131 HB VAL 19 HB VAL 19 4.737 -2.690 -5.283 132 1HG1 VAL 19 1HG1 VAL 19 5.515 -3.397 -8.119 133 2HG1 VAL 19 2HG1 VAL 19 5.090 -4.637 -6.915 134 3HG1 VAL 19 3HG1 VAL 19 3.899 -3.396 -7.372 135 1HG2 VAL 19 1HG2 VAL 19 7.351 -2.395 -5.067 136 2HG2 VAL 19 2HG2 VAL 19 6.582 -3.970 -4.756 137 3HG2 VAL 19 3HG2 VAL 19 7.382 -3.662 -6.316 138 H ASP 20 H ASP 20 4.096 0.670 -5.748 139 HA ASP 20 HA ASP 20 2.237 1.599 -6.370 140 1HB ASP 20 1HB ASP 20 3.381 2.543 -8.237 141 2HB ASP 20 2HB ASP 20 3.498 1.002 -9.063 142 H CYS 21 H CYS 21 0.444 0.356 -5.744 143 HA CYS 21 HA CYS 21 -0.043 -2.202 -6.818 144 1HB CYS 21 1HB CYS 21 -0.819 -0.874 -4.572 145 2HB CYS 21 2HB CYS 21 -2.287 -0.781 -5.525 146 H GLY 22 H GLY 22 -0.544 1.014 -7.947 147 1HA GLY 22 1HA GLY 22 -1.674 0.273 -10.372 148 2HA GLY 22 2HA GLY 22 -1.657 1.888 -9.692 149 H TYR 23 H TYR 23 -3.366 2.345 -7.923 150 HA TYR 23 HA TYR 23 -5.880 1.165 -8.845 151 1HB TYR 23 1HB TYR 23 -4.576 0.442 -6.487 152 2HB TYR 23 2HB TYR 23 -5.499 1.820 -5.921 153 HD1 TYR 23 HD1 TYR 23 -6.418 -0.823 -8.415 154 HD2 TYR 23 HD2 TYR 23 -7.221 0.952 -4.606 155 HE1 TYR 23 HE1 TYR 23 -8.471 -2.300 -8.152 156 HE2 TYR 23 HE2 TYR 23 -9.271 -0.531 -4.356 157 HH TYR 23 HH TYR 23 -10.559 -2.279 -6.963 158 HA PRO 24 HA PRO 24 -7.096 5.320 -8.700 159 1HB PRO 24 1HB PRO 24 -9.807 5.039 -8.892 160 2HB PRO 24 2HB PRO 24 -8.736 4.964 -10.276 161 1HG PRO 24 1HG PRO 24 -10.124 2.756 -8.884 162 2HG PRO 24 2HG PRO 24 -9.410 2.768 -10.485 163 1HD PRO 24 1HD PRO 24 -8.304 1.576 -8.122 164 2HD PRO 24 2HD PRO 24 -7.540 1.690 -9.695 165 H HIS 25 H HIS 25 -9.823 3.878 -7.029 166 HA HIS 25 HA HIS 25 -9.732 5.885 -5.066 167 1HB HIS 25 1HB HIS 25 -11.734 5.072 -4.444 168 2HB HIS 25 2HB HIS 25 -11.630 4.206 -5.964 169 HD1 HIS 25 HD1 HIS 25 -12.499 3.592 -2.598 170 HD2 HIS 25 HD2 HIS 25 -10.149 1.520 -5.388 171 HE1 HIS 25 HE1 HIS 25 -12.370 1.181 -1.773 172 HE2 HIS 25 HE2 HIS 25 -10.959 -0.055 -3.556 173 H VAL 26 H VAL 26 -7.849 6.033 -3.875 174 HA VAL 26 HA VAL 26 -7.176 3.627 -2.331 175 HB VAL 26 HB VAL 26 -4.807 4.455 -2.436 176 1HG1 VAL 26 1HG1 VAL 26 -6.315 3.373 -4.801 177 2HG1 VAL 26 2HG1 VAL 26 -4.575 3.720 -4.948 178 3HG1 VAL 26 3HG1 VAL 26 -5.152 2.563 -3.724 179 1HG2 VAL 26 1HG2 VAL 26 -6.008 6.281 -4.535 180 2HG2 VAL 26 2HG2 VAL 26 -5.049 6.726 -3.103 181 3HG2 VAL 26 3HG2 VAL 26 -4.275 5.884 -4.467 182 H THR 27 H THR 27 -7.255 3.927 -0.158 183 HA THR 27 HA THR 27 -6.986 6.682 0.827 184 HB THR 27 HB THR 27 -9.004 6.492 2.078 185 HG1 THR 27 HG1 THR 27 -8.593 3.662 1.433 186 1HG2 THR 27 1HG2 THR 27 -9.474 4.814 -0.443 187 2HG2 THR 27 2HG2 THR 27 -10.759 5.522 0.565 188 3HG2 THR 27 3HG2 THR 27 -9.642 6.583 -0.328 189 HA PRO 28 HA PRO 28 -4.542 4.990 3.924 190 1HB PRO 28 1HB PRO 28 -5.212 6.358 6.193 191 2HB PRO 28 2HB PRO 28 -4.185 7.025 4.940 192 1HG PRO 28 1HG PRO 28 -7.012 7.644 5.546 193 2HG PRO 28 2HG PRO 28 -5.862 8.574 4.607 194 1HD PRO 28 1HD PRO 28 -7.989 6.943 3.588 195 2HD PRO 28 2HD PRO 28 -6.769 7.780 2.649 196 H LYS 29 H LYS 29 -6.782 3.388 3.321 197 HA LYS 29 HA LYS 29 -6.618 1.601 5.431 198 1HB LYS 29 1HB LYS 29 -8.030 3.597 6.425 199 2HB LYS 29 2HB LYS 29 -9.338 2.865 5.518 200 1HG LYS 29 1HG LYS 29 -7.659 0.968 7.113 201 2HG LYS 29 2HG LYS 29 -8.621 2.095 8.051 202 1HD LYS 29 1HD LYS 29 -10.663 1.395 6.742 203 2HD LYS 29 2HD LYS 29 -9.685 0.221 5.884 204 1HE LYS 29 1HE LYS 29 -9.715 -1.252 7.630 205 2HE LYS 29 2HE LYS 29 -9.350 -0.003 8.805 206 1HZ LYS 29 1HZ LYS 29 -11.946 0.343 7.801 207 2HZ LYS 29 2HZ LYS 29 -11.774 -1.182 8.360 208 3HZ LYS 29 3HZ LYS 29 -11.469 0.086 9.342 209 H GLU 30 H GLU 30 -8.937 2.982 3.008 210 HA GLU 30 HA GLU 30 -10.001 0.505 2.333 211 1HB GLU 30 1HB GLU 30 -10.662 3.079 1.784 212 2HB GLU 30 2HB GLU 30 -9.897 2.671 0.261 213 1HG GLU 30 1HG GLU 30 -11.412 0.795 -0.093 214 2HG GLU 30 2HG GLU 30 -12.049 0.923 1.535 215 H CYS 31 H CYS 31 -7.236 2.419 1.051 216 HA CYS 31 HA CYS 31 -6.771 0.821 -1.187 217 1HB CYS 31 1HB CYS 31 -5.682 2.806 -1.358 218 2HB CYS 31 2HB CYS 31 -5.270 2.872 0.343 219 H ASN 32 H ASN 32 -5.805 0.652 2.267 220 HA ASN 32 HA ASN 32 -4.081 -1.573 1.742 221 1HB ASN 32 1HB ASN 32 -3.342 -0.103 3.508 222 2HB ASN 32 2HB ASN 32 -4.932 -0.050 4.243 223 2HD2 ASN 32 2HD2 ASN 32 -4.671 -0.880 6.187 224 1HD2 ASN 32 1HD2 ASN 32 -3.998 -2.429 6.570 225 H ASN 33 H ASN 33 -7.382 -1.132 1.868 226 HA ASN 33 HA ASN 33 -7.921 -3.463 3.486 227 1HB ASN 33 1HB ASN 33 -9.347 -1.384 3.700 228 2HB ASN 33 2HB ASN 33 -9.833 -1.563 2.026 229 2HD2 ASN 33 2HD2 ASN 33 -11.040 -3.403 1.382 230 1HD2 ASN 33 1HD2 ASN 33 -12.044 -4.266 2.500 231 H ARG 34 H ARG 34 -8.001 -2.182 0.133 232 HA ARG 34 HA ARG 34 -9.471 -4.259 -0.974 233 1HB ARG 34 1HB ARG 34 -8.670 -1.887 -1.920 234 2HB ARG 34 2HB ARG 34 -7.318 -2.812 -2.542 235 1HG ARG 34 1HG ARG 34 -10.255 -3.477 -3.062 236 2HG ARG 34 2HG ARG 34 -9.220 -2.613 -4.182 237 1HD ARG 34 1HD ARG 34 -7.636 -4.781 -3.772 238 2HD ARG 34 2HD ARG 34 -9.184 -5.524 -3.420 239 HE ARG 34 HE ARG 34 -9.246 -3.945 -5.876 240 1HH1 ARG 34 1HH1 ARG 34 -8.403 -7.081 -4.520 241 2HH1 ARG 34 2HH1 ARG 34 -8.568 -7.919 -6.027 242 1HH2 ARG 34 1HH2 ARG 34 -9.464 -5.050 -7.864 243 2HH2 ARG 34 2HH2 ARG 34 -9.175 -6.756 -7.942 244 H GLY 35 H GLY 35 -6.132 -3.968 0.087 245 1HA GLY 35 1HA GLY 35 -5.502 -6.562 -1.195 246 2HA GLY 35 2HA GLY 35 -5.063 -6.153 0.452 247 H CYS 36 H CYS 36 -3.714 -4.042 0.712 248 HA CYS 36 HA CYS 36 -1.349 -4.339 -0.630 249 1HB CYS 36 1HB CYS 36 -3.188 -3.103 -2.340 250 2HB CYS 36 2HB CYS 36 -2.195 -1.792 -1.735 251 H CYS 37 H CYS 37 -0.608 -1.470 -0.682 252 HA CYS 37 HA CYS 37 -1.138 -0.787 2.117 253 1HB CYS 37 1HB CYS 37 1.452 -1.050 0.673 254 2HB CYS 37 2HB CYS 37 1.293 0.285 1.797 255 H PHE 38 H PHE 38 -1.127 1.565 2.534 256 HA PHE 38 HA PHE 38 -1.527 3.103 0.064 257 1HB PHE 38 1HB PHE 38 -3.614 2.750 1.364 258 2HB PHE 38 2HB PHE 38 -2.804 3.177 2.858 259 HD1 PHE 38 HD1 PHE 38 -2.348 5.504 3.408 260 HD2 PHE 38 HD2 PHE 38 -4.315 4.470 -0.207 261 HE1 PHE 38 HE1 PHE 38 -3.068 7.891 3.117 262 HE2 PHE 38 HE2 PHE 38 -5.035 6.856 -0.498 263 HZ PHE 38 HZ PHE 38 -4.403 8.538 1.167 264 H ASP 39 H ASP 39 -1.394 5.623 0.676 265 HA ASP 39 HA ASP 39 0.224 6.400 2.756 266 1HB ASP 39 1HB ASP 39 2.091 5.248 1.774 267 2HB ASP 39 2HB ASP 39 1.662 5.764 0.155 268 H SER 40 H SER 40 0.408 8.747 2.716 269 HA SER 40 HA SER 40 -0.481 9.997 0.249 270 1HB SER 40 1HB SER 40 -2.001 11.483 1.486 271 2HB SER 40 2HB SER 40 -2.455 9.809 1.734 272 HG SER 40 HG SER 40 -0.689 11.124 3.587 273 H ARG 41 H ARG 41 2.086 9.576 2.006 274 HA ARG 41 HA ARG 41 2.710 12.036 3.114 275 1HB ARG 41 1HB ARG 41 3.879 9.595 3.167 276 2HB ARG 41 2HB ARG 41 4.886 10.312 1.925 277 1HG ARG 41 1HG ARG 41 5.754 11.959 3.378 278 2HG ARG 41 2HG ARG 41 4.381 11.877 4.463 279 1HD ARG 41 1HD ARG 41 5.112 9.770 5.398 280 2HD ARG 41 2HD ARG 41 6.278 9.518 4.115 281 HE ARG 41 HE ARG 41 6.637 11.179 6.489 282 1HH1 ARG 41 1HH1 ARG 41 7.669 10.698 3.159 283 2HH1 ARG 41 2HH1 ARG 41 9.198 11.480 3.385 284 1HH2 ARG 41 1HH2 ARG 41 8.654 12.211 6.788 285 2HH2 ARG 41 2HH2 ARG 41 9.762 12.346 5.463 286 H ILE 42 H ILE 42 3.167 10.623 -0.167 287 HA ILE 42 HA ILE 42 3.557 13.292 -1.207 288 HB ILE 42 HB ILE 42 5.535 11.994 -2.564 289 1HG1 ILE 42 1HG1 ILE 42 7.030 11.012 -0.844 290 2HG1 ILE 42 2HG1 ILE 42 5.739 11.126 0.335 291 1HG2 ILE 42 1HG2 ILE 42 5.351 14.328 -1.456 292 2HG2 ILE 42 2HG2 ILE 42 6.156 13.556 -0.070 293 3HG2 ILE 42 3HG2 ILE 42 6.957 13.589 -1.659 294 1HD1 ILE 42 1HD1 ILE 42 5.006 9.784 -2.233 295 2HD1 ILE 42 2HD1 ILE 42 6.172 8.917 -1.204 296 3HD1 ILE 42 3HD1 ILE 42 4.571 9.357 -0.560 297 HA PRO 43 HA PRO 43 1.054 11.341 -4.166 298 1HB PRO 43 1HB PRO 43 0.720 13.459 -5.860 299 2HB PRO 43 2HB PRO 43 -0.241 13.229 -4.413 300 1HG PRO 43 1HG PRO 43 1.964 15.139 -4.888 301 2HG PRO 43 2HG PRO 43 0.732 15.172 -3.642 302 1HD PRO 43 1HD PRO 43 3.472 14.384 -3.326 303 2HD PRO 43 2HD PRO 43 2.212 14.307 -2.110 304 H GLY 44 H GLY 44 3.891 13.130 -5.157 305 1HA GLY 44 1HA GLY 44 5.534 12.491 -6.575 306 2HA GLY 44 2HA GLY 44 4.219 12.397 -7.729 307 H VAL 45 H VAL 45 4.337 10.268 -4.872 308 HA VAL 45 HA VAL 45 5.266 8.079 -6.581 309 HB VAL 45 HB VAL 45 6.175 7.124 -4.744 310 1HG1 VAL 45 1HG1 VAL 45 5.997 10.041 -3.920 311 2HG1 VAL 45 2HG1 VAL 45 7.098 8.847 -3.192 312 3HG1 VAL 45 3HG1 VAL 45 7.262 9.277 -4.912 313 1HG2 VAL 45 1HG2 VAL 45 3.933 8.378 -3.141 314 2HG2 VAL 45 2HG2 VAL 45 4.230 6.655 -3.472 315 3HG2 VAL 45 3HG2 VAL 45 5.314 7.551 -2.381 316 HA PRO 46 HA PRO 46 1.415 6.121 -6.388 317 1HB PRO 46 1HB PRO 46 1.968 3.478 -5.969 318 2HB PRO 46 2HB PRO 46 2.147 4.259 -7.527 319 1HG PRO 46 1HG PRO 46 4.245 3.445 -5.610 320 2HG PRO 46 2HG PRO 46 4.402 3.824 -7.313 321 1HD PRO 46 1HD PRO 46 5.129 5.506 -5.106 322 2HD PRO 46 2HD PRO 46 5.178 5.928 -6.806 323 H TRP 47 H TRP 47 0.463 7.241 -4.662 324 HA TRP 47 HA TRP 47 0.781 6.938 -2.069 325 1HB TRP 47 1HB TRP 47 -1.664 7.233 -3.741 326 2HB TRP 47 2HB TRP 47 -1.888 6.886 -2.038 327 HD1 TRP 47 HD1 TRP 47 1.058 9.128 -3.083 328 HE1 TRP 47 HE1 TRP 47 0.716 11.612 -2.258 329 HE3 TRP 47 HE3 TRP 47 -3.728 8.495 -1.488 330 HZ2 TRP 47 HZ2 TRP 47 -1.469 13.001 -1.057 331 HZ3 TRP 47 HZ3 TRP 47 -4.894 10.465 -0.502 332 HH2 TRP 47 HH2 TRP 47 -3.842 12.659 -0.274 333 H CYS 48 H CYS 48 -1.164 4.639 -4.112 334 HA CYS 48 HA CYS 48 -1.127 2.760 -1.902 335 1HB CYS 48 1HB CYS 48 -3.190 3.359 -3.341 336 2HB CYS 48 2HB CYS 48 -2.470 2.326 -4.561 337 H PHE 49 H PHE 49 0.693 1.485 -1.789 338 HA PHE 49 HA PHE 49 1.694 0.413 -4.326 339 1HB PHE 49 1HB PHE 49 3.994 0.617 -3.101 340 2HB PHE 49 2HB PHE 49 3.286 2.121 -3.657 341 HD1 PHE 49 HD1 PHE 49 3.380 -0.058 -0.629 342 HD2 PHE 49 HD2 PHE 49 3.104 3.885 -2.171 343 HE1 PHE 49 HE1 PHE 49 3.503 0.862 1.703 344 HE2 PHE 49 HE2 PHE 49 3.228 4.806 0.160 345 HZ PHE 49 HZ PHE 49 3.426 3.283 2.070 346 H LYS 50 H LYS 50 3.136 -1.575 -3.937 347 HA LYS 50 HA LYS 50 1.684 -3.365 -2.278 348 1HB LYS 50 1HB LYS 50 4.302 -3.841 -3.728 349 2HB LYS 50 2HB LYS 50 3.166 -5.051 -3.166 350 1HG LYS 50 1HG LYS 50 1.411 -3.851 -4.679 351 2HG LYS 50 2HG LYS 50 2.776 -3.024 -5.403 352 1HD LYS 50 1HD LYS 50 2.622 -4.878 -6.812 353 2HD LYS 50 2HD LYS 50 3.782 -5.473 -5.641 354 1HE LYS 50 1HE LYS 50 2.203 -6.863 -4.568 355 2HE LYS 50 2HE LYS 50 0.836 -5.906 -5.106 356 1HZ LYS 50 1HZ LYS 50 2.440 -7.149 -7.162 357 2HZ LYS 50 2HZ LYS 50 1.514 -8.142 -6.254 358 3HZ LYS 50 3HZ LYS 50 0.823 -6.925 -7.095 359 HA PRO 51 HA PRO 51 4.093 -3.271 1.302 360 1HB PRO 51 1HB PRO 51 4.164 -5.874 2.132 361 2HB PRO 51 2HB PRO 51 2.776 -4.830 2.368 362 1HG PRO 51 1HG PRO 51 3.135 -7.023 0.419 363 2HG PRO 51 2HG PRO 51 1.649 -6.266 0.958 364 1HD PRO 51 1HD PRO 51 2.992 -5.827 -1.539 365 2HD PRO 51 2HD PRO 51 1.571 -4.986 -0.950 366 H LEU 52 H LEU 52 6.152 -2.770 1.680 367 HA LEU 52 HA LEU 52 8.162 -3.274 0.033 368 1HB LEU 52 1HB LEU 52 8.390 -1.837 1.923 369 2HB LEU 52 2HB LEU 52 8.206 -3.170 3.046 370 HG LEU 52 HG LEU 52 10.535 -2.842 1.134 371 1HD1 LEU 52 1HD1 LEU 52 10.109 -1.929 3.958 372 2HD1 LEU 52 2HD1 LEU 52 11.731 -2.438 3.430 373 3HD1 LEU 52 3HD1 LEU 52 10.901 -1.103 2.595 374 1HD2 LEU 52 1HD2 LEU 52 9.658 -5.015 2.894 375 2HD2 LEU 52 2HD2 LEU 52 10.824 -5.018 1.548 376 3HD2 LEU 52 3HD2 LEU 52 11.341 -4.505 3.172 377 H GLN 53 H GLN 53 9.587 -4.900 -0.546 378 HA GLN 53 HA GLN 53 8.688 -7.503 -0.152 379 1HB GLN 53 1HB GLN 53 10.982 -6.163 -1.498 380 2HB GLN 53 2HB GLN 53 11.275 -7.827 -1.034 381 1HG GLN 53 1HG GLN 53 10.303 -7.603 -3.345 382 2HG GLN 53 2HG GLN 53 9.331 -8.604 -2.285 383 2HE2 GLN 53 2HE2 GLN 53 9.685 -5.074 -2.438 384 1HE2 GLN 53 1HE2 GLN 53 8.029 -4.696 -2.778 385 H GLU 54 H GLU 54 8.536 -7.594 2.239 386 HA GLU 54 HA GLU 54 10.787 -7.292 3.835 387 1HB GLU 54 1HB GLU 54 8.027 -7.927 4.170 388 2HB GLU 54 2HB GLU 54 8.917 -9.217 4.953 389 1HG GLU 54 1HG GLU 54 9.763 -6.352 5.441 390 2HG GLU 54 2HG GLU 54 8.347 -6.969 6.268 391 H ALA 55 H ALA 55 12.560 -8.423 2.856 392 HA ALA 55 HA ALA 55 12.399 -11.322 3.263 393 1HB ALA 55 1HB ALA 55 12.371 -11.452 0.988 394 2HB ALA 55 2HB ALA 55 14.112 -11.119 1.148 395 3HB ALA 55 3HB ALA 55 12.982 -9.793 0.782 396 H GLU 56 H GLU 56 13.307 -10.283 5.382 397 HA GLU 56 HA GLU 56 15.976 -9.327 5.153 398 1HB GLU 56 1HB GLU 56 13.904 -9.378 7.155 399 2HB GLU 56 2HB GLU 56 15.342 -10.097 7.853 400 1HG GLU 56 1HG GLU 56 16.655 -8.075 6.952 401 2HG GLU 56 2HG GLU 56 15.112 -7.346 6.556 402 H CYS 57 H CYS 57 14.432 -12.238 6.707 403 HA CYS 57 HA CYS 57 16.982 -13.612 6.256 404 1HB CYS 57 1HB CYS 57 15.082 -14.470 8.405 405 2HB CYS 57 2HB CYS 57 16.806 -14.751 8.261 406 H THR 58 H THR 58 13.429 -14.165 6.867 407 HA THR 58 HA THR 58 12.945 -15.417 4.428 408 HB THR 58 HB THR 58 14.333 -17.268 5.032 409 HG1 THR 58 HG1 THR 58 11.932 -17.669 4.589 410 1HG2 THR 58 1HG2 THR 58 12.993 -17.200 7.788 411 2HG2 THR 58 2HG2 THR 58 14.207 -18.384 7.247 412 3HG2 THR 58 3HG2 THR 58 14.662 -16.676 7.459 413 H PHE 59 H PHE 59 12.186 -15.328 7.946 414 HA PHE 59 HA PHE 59 9.358 -15.268 7.164 415 1HB PHE 59 1HB PHE 59 10.704 -16.981 8.866 416 2HB PHE 59 2HB PHE 59 10.317 -15.702 10.001 417 HD1 PHE 59 HD1 PHE 59 8.897 -18.261 7.777 418 HD2 PHE 59 HD2 PHE 59 8.061 -15.343 10.743 419 HE1 PHE 59 HE1 PHE 59 6.595 -19.219 8.071 420 HE2 PHE 59 HE2 PHE 59 5.760 -16.301 11.036 421 HZ PHE 59 HZ PHE 59 5.054 -18.227 9.697 No H/Q in entry = 421
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