NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15089 | 1xhj | 6355 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 3.829 -24.232 -11.113 2 2H MET 1 2HT MET 1 4.518 -25.758 -10.826 3 3H MET 1 3HT MET 1 5.052 -24.403 -9.951 4 HA MET 1 HA MET 1 2.629 -24.232 -9.162 5 1HB MET 1 2HB MET 1 1.890 -25.987 -10.819 6 2HB MET 1 3HB MET 1 2.797 -27.174 -9.883 7 1HG MET 1 2HG MET 1 1.449 -26.622 -7.883 8 2HG MET 1 3HG MET 1 0.534 -25.448 -8.829 9 1HE MET 1 1HE MET 1 -0.741 -27.555 -7.166 10 2HE MET 1 2HE MET 1 0.413 -28.866 -7.398 11 3HE MET 1 3HE MET 1 -1.257 -29.069 -7.921 12 HA PRO 2 HA PRO 2 5.821 -25.680 -6.164 13 1HB PRO 2 2HB PRO 2 5.488 -23.193 -4.738 14 2HB PRO 2 3HB PRO 2 6.894 -23.752 -5.655 15 1HG PRO 2 2HG PRO 2 5.241 -21.651 -6.362 16 2HG PRO 2 3HG PRO 2 6.355 -22.501 -7.442 17 1HD PRO 2 2HD PRO 2 3.394 -22.761 -7.210 18 2HD PRO 2 3HD PRO 2 4.444 -22.992 -8.626 19 H THR 3 H THR 3 3.690 -23.361 -4.564 20 HA THR 3 HA THR 3 1.795 -25.214 -3.536 21 HB THR 3 HB THR 3 3.418 -24.284 -1.242 22 HG1 THR 3 HG1 THR 3 4.843 -26.109 -1.530 23 1HG2 THR 3 1HG2 THR 3 2.814 -26.487 -0.385 24 2HG2 THR 3 2HG2 THR 3 1.388 -25.710 -1.072 25 3HG2 THR 3 3HG2 THR 3 2.225 -26.974 -1.974 26 H GLU 4 H GLU 4 0.339 -24.209 -1.999 27 HA GLU 4 HA GLU 4 0.087 -21.341 -2.453 28 1HB GLU 4 2HB GLU 4 -1.620 -23.353 -0.949 29 2HB GLU 4 3HB GLU 4 -2.007 -21.638 -1.065 30 1HG GLU 4 2HG GLU 4 -3.235 -22.699 -2.815 31 2HG GLU 4 3HG GLU 4 -1.871 -21.904 -3.596 32 H ASN 5 H ASN 5 2.406 -22.127 -1.033 33 HA ASN 5 HA ASN 5 2.301 -21.939 1.750 34 1HB ASN 5 2HB ASN 5 4.286 -21.564 -0.372 35 2HB ASN 5 3HB ASN 5 4.569 -20.495 0.997 36 1HD2 ASN 5 2HD2 ASN 5 3.364 -23.895 0.781 37 2HD2 ASN 5 1HD2 ASN 5 4.510 -24.518 1.867 38 HA PRO 6 HA PRO 6 1.296 -17.831 3.046 39 1HB PRO 6 2HB PRO 6 3.920 -16.628 3.243 40 2HB PRO 6 3HB PRO 6 2.861 -17.172 4.553 41 1HG PRO 6 2HG PRO 6 5.157 -18.518 3.326 42 2HG PRO 6 3HG PRO 6 4.404 -18.780 4.907 43 1HD PRO 6 2HD PRO 6 4.175 -20.578 2.879 44 2HD PRO 6 3HD PRO 6 2.881 -20.334 4.072 45 H THR 7 H THR 7 0.364 -17.389 1.024 46 HA THR 7 HA THR 7 1.775 -16.549 -1.272 47 HB THR 7 HB THR 7 -0.443 -15.829 -2.097 48 HG1 THR 7 HG1 THR 7 -1.395 -15.019 -0.294 49 1HG2 THR 7 1HG2 THR 7 -0.729 -18.430 -0.591 50 2HG2 THR 7 2HG2 THR 7 -1.383 -18.006 -2.173 51 3HG2 THR 7 3HG2 THR 7 0.350 -18.269 -1.976 52 H MET 8 H MET 8 0.813 -14.291 -2.260 53 HA MET 8 HA MET 8 2.286 -12.225 -1.169 54 1HB MET 8 2HB MET 8 -0.216 -12.159 -2.862 55 2HB MET 8 3HB MET 8 0.697 -10.708 -2.448 56 1HG MET 8 2HG MET 8 2.737 -11.755 -3.435 57 2HG MET 8 3HG MET 8 1.751 -13.130 -3.938 58 1HE MET 8 1HE MET 8 3.456 -11.726 -5.932 59 2HE MET 8 2HE MET 8 3.407 -10.142 -5.163 60 3HE MET 8 3HE MET 8 2.818 -10.330 -6.812 61 H PHE 9 H PHE 9 -1.220 -12.757 -0.806 62 HA PHE 9 HA PHE 9 -2.001 -10.708 0.776 63 1HB PHE 9 2HB PHE 9 -3.281 -12.848 0.022 64 2HB PHE 9 3HB PHE 9 -2.786 -13.492 1.587 65 HD1 PHE 9 HD1 PHE 9 -3.396 -12.232 3.694 66 HD2 PHE 9 HD2 PHE 9 -5.034 -11.237 -0.153 67 HE1 PHE 9 HE1 PHE 9 -5.219 -10.965 4.797 68 HE2 PHE 9 HE2 PHE 9 -6.857 -9.971 0.953 69 HZ PHE 9 HZ PHE 9 -6.950 -9.834 3.427 70 H ASP 10 H ASP 10 -0.502 -13.698 2.021 71 HA ASP 10 HA ASP 10 -0.425 -12.997 4.725 72 1HB ASP 10 2HB ASP 10 0.095 -15.257 3.734 73 2HB ASP 10 3HB ASP 10 1.673 -14.622 3.274 74 H GLN 11 H GLN 11 2.092 -12.573 2.236 75 HA GLN 11 HA GLN 11 3.976 -11.259 3.867 76 1HB GLN 11 2HB GLN 11 3.562 -11.710 0.986 77 2HB GLN 11 3HB GLN 11 4.459 -10.241 1.371 78 1HG GLN 11 2HG GLN 11 6.007 -11.563 2.779 79 2HG GLN 11 3HG GLN 11 5.120 -13.029 2.366 80 1HE2 GLN 11 2HE2 GLN 11 4.869 -11.385 -0.432 81 2HE2 GLN 11 1HE2 GLN 11 6.292 -11.878 -1.214 82 H VAL 12 H VAL 12 1.806 -9.759 1.430 83 HA VAL 12 HA VAL 12 2.414 -7.130 2.100 84 HB VAL 12 HB VAL 12 0.618 -6.482 0.784 85 1HG1 VAL 12 1HG1 VAL 12 0.909 -7.735 -1.085 86 2HG1 VAL 12 2HG1 VAL 12 2.133 -8.535 -0.100 87 3HG1 VAL 12 3HG1 VAL 12 0.526 -9.242 -0.259 88 1HG2 VAL 12 1HG2 VAL 12 -0.813 -9.015 1.641 89 2HG2 VAL 12 2HG2 VAL 12 -1.193 -7.379 2.179 90 3HG2 VAL 12 3HG2 VAL 12 -1.448 -7.838 0.497 91 H ALA 13 H ALA 13 -0.316 -9.103 3.278 92 HA ALA 13 HA ALA 13 -1.347 -7.282 5.075 93 1HB ALA 13 1HB ALA 13 -2.275 -9.200 6.290 94 2HB ALA 13 2HB ALA 13 -2.424 -9.444 4.550 95 3HB ALA 13 3HB ALA 13 -1.161 -10.281 5.453 96 H GLU 14 H GLU 14 1.267 -9.625 5.474 97 HA GLU 14 HA GLU 14 1.805 -9.180 8.202 98 1HB GLU 14 2HB GLU 14 2.670 -11.115 6.966 99 2HB GLU 14 3HB GLU 14 3.708 -10.052 6.017 100 1HG GLU 14 2HG GLU 14 4.938 -9.384 7.984 101 2HG GLU 14 3HG GLU 14 3.808 -10.230 9.037 102 H VAL 15 H VAL 15 3.691 -7.965 5.398 103 HA VAL 15 HA VAL 15 5.266 -6.200 6.929 104 HB VAL 15 HB VAL 15 5.831 -5.106 4.794 105 1HG1 VAL 15 1HG1 VAL 15 6.800 -7.061 3.731 106 2HG1 VAL 15 2HG1 VAL 15 6.846 -7.293 5.478 107 3HG1 VAL 15 3HG1 VAL 15 5.624 -8.118 4.512 108 1HG2 VAL 15 1HG2 VAL 15 4.722 -6.293 2.736 109 2HG2 VAL 15 2HG2 VAL 15 3.432 -6.669 3.873 110 3HG2 VAL 15 3HG2 VAL 15 3.848 -4.991 3.544 111 H ILE 16 H ILE 16 2.179 -5.664 5.267 112 HA ILE 16 HA ILE 16 2.002 -2.895 5.516 113 HB ILE 16 HB ILE 16 -0.110 -5.049 5.519 114 1HG1 ILE 16 2HG1 ILE 16 0.299 -2.883 3.472 115 2HG1 ILE 16 3HG1 ILE 16 1.384 -4.272 3.484 116 1HG2 ILE 16 1HG2 ILE 16 -0.411 -2.052 5.771 117 2HG2 ILE 16 2HG2 ILE 16 -1.675 -3.050 5.052 118 3HG2 ILE 16 3HG2 ILE 16 -1.191 -3.312 6.727 119 1HD1 ILE 16 1HD1 ILE 16 -0.275 -5.062 2.075 120 2HD1 ILE 16 2HD1 ILE 16 -0.893 -5.628 3.625 121 3HD1 ILE 16 3HD1 ILE 16 -1.548 -4.162 2.897 122 H GLU 17 H GLU 17 0.418 -5.238 7.720 123 HA GLU 17 HA GLU 17 -0.307 -3.424 9.688 124 1HB GLU 17 2HB GLU 17 -0.810 -5.244 11.035 125 2HB GLU 17 3HB GLU 17 -0.833 -5.972 9.432 126 1HG GLU 17 2HG GLU 17 0.513 -7.498 10.530 127 2HG GLU 17 3HG GLU 17 1.743 -6.381 9.953 128 H ARG 18 H ARG 18 2.811 -4.879 9.074 129 HA ARG 18 HA ARG 18 4.018 -4.239 11.573 130 1HB ARG 18 2HB ARG 18 4.854 -5.884 9.795 131 2HB ARG 18 3HB ARG 18 5.477 -4.473 8.942 132 1HG ARG 18 2HG ARG 18 6.815 -3.847 10.902 133 2HG ARG 18 3HG ARG 18 6.159 -5.216 11.801 134 1HD ARG 18 2HD ARG 18 7.133 -6.769 10.141 135 2HD ARG 18 3HD ARG 18 7.796 -5.399 9.255 136 HE ARG 18 HE ARG 18 9.571 -5.550 10.722 137 1HH1 ARG 18 1HH2 ARG 18 8.011 -7.986 12.019 138 2HH1 ARG 18 2HH2 ARG 18 8.156 -7.555 13.691 139 1HH2 ARG 18 1HH1 ARG 18 9.176 -4.306 13.038 140 2HH2 ARG 18 2HH1 ARG 18 8.816 -5.471 14.267 141 H LEU 19 H LEU 19 4.137 -2.647 8.387 142 HA LEU 19 HA LEU 19 5.582 -0.374 9.385 143 1HB LEU 19 2HB LEU 19 4.384 -1.184 6.772 144 2HB LEU 19 3HB LEU 19 4.753 0.519 7.029 145 HG LEU 19 HG LEU 19 6.647 -0.712 5.980 146 1HD1 LEU 19 1HD1 LEU 19 8.270 0.412 7.193 147 2HD1 LEU 19 2HD1 LEU 19 6.821 1.228 7.780 148 3HD1 LEU 19 3HD1 LEU 19 7.574 -0.039 8.749 149 1HD2 LEU 19 1HD2 LEU 19 7.828 -2.434 7.164 150 2HD2 LEU 19 2HD2 LEU 19 6.891 -2.159 8.632 151 3HD2 LEU 19 3HD2 LEU 19 6.123 -2.878 7.217 152 H ARG 20 H ARG 20 2.231 -1.223 9.143 153 HA ARG 20 HA ARG 20 0.799 1.026 8.810 154 1HB ARG 20 2HB ARG 20 0.484 -1.298 10.601 155 2HB ARG 20 3HB ARG 20 -0.471 0.119 11.034 156 1HG ARG 20 2HG ARG 20 -1.329 0.218 8.698 157 2HG ARG 20 3HG ARG 20 -0.434 -1.255 8.328 158 1HD ARG 20 2HD ARG 20 -2.394 -2.269 8.911 159 2HD ARG 20 3HD ARG 20 -1.768 -2.067 10.545 160 HE ARG 20 HE ARG 20 -3.128 0.280 9.958 161 1HH1 ARG 20 1HH1 ARG 20 -3.686 -3.041 10.690 162 2HH1 ARG 20 2HH1 ARG 20 -5.394 -2.853 10.912 163 1HH2 ARG 20 1HH2 ARG 20 -5.418 0.493 10.011 164 2HH2 ARG 20 2HH2 ARG 20 -6.372 -0.857 10.528 165 HA PRO 21 HA PRO 21 1.446 2.507 13.487 166 1HB PRO 21 2HB PRO 21 4.148 1.710 14.095 167 2HB PRO 21 3HB PRO 21 2.660 1.284 14.953 168 1HG PRO 21 2HG PRO 21 4.216 -0.274 13.047 169 2HG PRO 21 3HG PRO 21 2.990 -0.806 14.206 170 1HD PRO 21 2HD PRO 21 2.592 -0.773 11.490 171 2HD PRO 21 3HD PRO 21 1.277 -0.628 12.676 172 H PHE 22 H PHE 22 4.184 2.125 11.254 173 HA PHE 22 HA PHE 22 5.307 4.715 11.808 174 1HB PHE 22 2HB PHE 22 5.795 2.618 9.697 175 2HB PHE 22 3HB PHE 22 6.592 4.189 9.638 176 HD1 PHE 22 HD1 PHE 22 6.606 0.908 11.113 177 HD2 PHE 22 HD2 PHE 22 7.896 4.963 11.704 178 HE1 PHE 22 HE1 PHE 22 8.271 0.136 12.782 179 HE2 PHE 22 HE2 PHE 22 9.559 4.192 13.371 180 HZ PHE 22 HZ PHE 22 9.749 1.778 13.911 181 H LEU 23 H LEU 23 3.319 3.321 9.226 182 HA LEU 23 HA LEU 23 3.213 5.571 7.547 183 1HB LEU 23 2HB LEU 23 1.059 3.486 7.992 184 2HB LEU 23 3HB LEU 23 1.207 4.548 6.592 185 HG LEU 23 HG LEU 23 3.329 2.550 7.438 186 1HD1 LEU 23 1HD1 LEU 23 0.970 1.722 6.575 187 2HD1 LEU 23 2HD1 LEU 23 1.598 2.230 5.008 188 3HD1 LEU 23 3HD1 LEU 23 2.449 1.001 5.942 189 1HD2 LEU 23 1HD2 LEU 23 2.977 4.459 5.133 190 2HD2 LEU 23 2HD2 LEU 23 4.404 4.179 6.130 191 3HD2 LEU 23 3HD2 LEU 23 3.924 2.987 4.923 192 H LEU 24 H LEU 24 1.018 4.532 10.151 193 HA LEU 24 HA LEU 24 -0.877 6.552 10.002 194 1HB LEU 24 2HB LEU 24 -1.248 4.692 11.457 195 2HB LEU 24 3HB LEU 24 0.222 5.029 12.367 196 HG LEU 24 HG LEU 24 -0.753 7.154 13.169 197 1HD1 LEU 24 1HD1 LEU 24 -2.935 6.343 11.284 198 2HD1 LEU 24 2HD1 LEU 24 -3.376 7.217 12.750 199 3HD1 LEU 24 3HD1 LEU 24 -2.261 7.942 11.592 200 1HD2 LEU 24 1HD2 LEU 24 -2.729 4.901 13.610 201 2HD2 LEU 24 2HD2 LEU 24 -1.125 4.921 14.344 202 3HD2 LEU 24 3HD2 LEU 24 -2.289 6.187 14.734 203 H ARG 25 H ARG 25 2.217 6.533 11.727 204 HA ARG 25 HA ARG 25 1.980 8.983 13.044 205 1HB ARG 25 2HB ARG 25 4.234 7.235 12.208 206 2HB ARG 25 3HB ARG 25 4.629 8.896 12.647 207 1HG ARG 25 2HG ARG 25 2.812 7.293 14.427 208 2HG ARG 25 3HG ARG 25 4.554 7.037 14.510 209 1HD ARG 25 2HD ARG 25 3.188 9.728 14.801 210 2HD ARG 25 3HD ARG 25 3.775 8.749 16.141 211 HE ARG 25 HE ARG 25 5.360 10.420 14.439 212 1HH1 ARG 25 1HH1 ARG 25 5.621 8.919 17.302 213 2HH1 ARG 25 2HH1 ARG 25 7.202 8.246 17.083 214 1HH2 ARG 25 1HH2 ARG 25 7.300 8.912 13.680 215 2HH2 ARG 25 2HH2 ARG 25 8.152 8.241 15.031 216 H ASP 26 H ASP 26 3.401 8.321 9.820 217 HA ASP 26 HA ASP 26 3.573 11.228 9.383 218 1HB ASP 26 2HB ASP 26 4.847 8.869 8.010 219 2HB ASP 26 3HB ASP 26 4.920 10.502 7.351 220 H GLY 27 H GLY 27 2.601 8.357 7.455 221 1HA GLY 27 1HA GLY 27 1.057 10.090 5.681 222 2HA GLY 27 2HA GLY 27 1.374 8.378 5.451 223 H GLY 28 H GLY 28 0.191 6.866 6.901 224 1HA GLY 28 1HA GLY 28 -2.000 7.548 8.493 225 2HA GLY 28 2HA GLY 28 -2.593 7.391 6.842 226 H ASP 29 H ASP 29 -3.701 5.488 6.894 227 HA ASP 29 HA ASP 29 -2.142 3.079 7.607 228 1HB ASP 29 2HB ASP 29 -4.879 3.883 8.515 229 2HB ASP 29 3HB ASP 29 -4.527 2.174 8.268 230 H CYS 30 H CYS 30 -2.136 1.548 6.104 231 HA CYS 30 HA CYS 30 -3.771 1.942 3.700 232 1HB CYS 30 2HB CYS 30 -1.225 1.555 3.676 233 2HB CYS 30 3HB CYS 30 -1.607 -0.124 4.057 234 HG CYS 30 HG CYS 30 -1.569 0.108 1.447 235 H THR 31 H THR 31 -4.880 0.154 2.726 236 HA THR 31 HA THR 31 -5.401 -2.195 4.380 237 HB THR 31 HB THR 31 -7.618 -0.309 3.539 238 HG1 THR 31 HG1 THR 31 -7.055 0.561 5.364 239 1HG2 THR 31 1HG2 THR 31 -8.889 -1.978 5.103 240 2HG2 THR 31 2HG2 THR 31 -8.571 -2.445 3.433 241 3HG2 THR 31 3HG2 THR 31 -7.554 -3.070 4.732 242 H LEU 32 H LEU 32 -5.096 -3.808 2.997 243 HA LEU 32 HA LEU 32 -5.305 -3.531 0.164 244 1HB LEU 32 2HB LEU 32 -3.865 -5.188 1.541 245 2HB LEU 32 3HB LEU 32 -5.327 -6.170 1.613 246 HG LEU 32 HG LEU 32 -5.356 -5.661 -1.010 247 1HD1 LEU 32 1HD1 LEU 32 -3.212 -4.249 -0.620 248 2HD1 LEU 32 2HD1 LEU 32 -2.387 -5.802 -0.487 249 3HD1 LEU 32 3HD1 LEU 32 -3.223 -5.372 -1.980 250 1HD2 LEU 32 1HD2 LEU 32 -3.867 -7.778 -1.234 251 2HD2 LEU 32 2HD2 LEU 32 -3.793 -7.739 0.528 252 3HD2 LEU 32 3HD2 LEU 32 -5.349 -7.912 -0.288 253 H VAL 33 H VAL 33 -7.041 -3.706 -1.098 254 HA VAL 33 HA VAL 33 -9.556 -4.654 0.096 255 HB VAL 33 HB VAL 33 -9.086 -3.099 -2.461 256 1HG1 VAL 33 1HG1 VAL 33 -11.160 -4.120 -2.777 257 2HG1 VAL 33 2HG1 VAL 33 -11.522 -4.150 -1.051 258 3HG1 VAL 33 3HG1 VAL 33 -11.631 -2.636 -1.948 259 1HG2 VAL 33 1HG2 VAL 33 -10.093 -1.224 -1.097 260 2HG2 VAL 33 2HG2 VAL 33 -9.932 -2.251 0.328 261 3HG2 VAL 33 3HG2 VAL 33 -8.495 -1.731 -0.551 262 H ASP 34 H ASP 34 -7.419 -5.184 -2.697 263 HA ASP 34 HA ASP 34 -8.443 -7.884 -2.964 264 1HB ASP 34 2HB ASP 34 -9.967 -6.239 -4.305 265 2HB ASP 34 3HB ASP 34 -8.617 -6.176 -5.432 266 H VAL 35 H VAL 35 -6.895 -9.222 -3.686 267 HA VAL 35 HA VAL 35 -4.399 -8.018 -4.693 268 HB VAL 35 HB VAL 35 -4.323 -9.417 -2.595 269 1HG1 VAL 35 1HG1 VAL 35 -4.748 -11.722 -2.631 270 2HG1 VAL 35 2HG1 VAL 35 -6.053 -11.079 -3.627 271 3HG1 VAL 35 3HG1 VAL 35 -4.642 -11.814 -4.388 272 1HG2 VAL 35 1HG2 VAL 35 -2.296 -9.100 -3.882 273 2HG2 VAL 35 2HG2 VAL 35 -2.365 -10.792 -3.393 274 3HG2 VAL 35 3HG2 VAL 35 -2.784 -10.333 -5.044 275 H GLU 36 H GLU 36 -4.085 -8.138 -6.821 276 HA GLU 36 HA GLU 36 -5.227 -10.443 -8.292 277 1HB GLU 36 2HB GLU 36 -4.771 -7.644 -9.353 278 2HB GLU 36 3HB GLU 36 -5.507 -8.991 -10.221 279 1HG GLU 36 2HG GLU 36 -6.605 -7.689 -7.710 280 2HG GLU 36 3HG GLU 36 -7.235 -7.474 -9.341 281 H ASP 37 H ASP 37 -4.074 -10.458 -10.595 282 HA ASP 37 HA ASP 37 -1.370 -11.236 -10.102 283 1HB ASP 37 2HB ASP 37 -3.287 -11.345 -12.306 284 2HB ASP 37 3HB ASP 37 -1.646 -11.012 -12.856 285 H GLY 38 H GLY 38 -2.852 -8.259 -10.764 286 1HA GLY 38 1HA GLY 38 -0.404 -6.812 -10.732 287 2HA GLY 38 2HA GLY 38 -1.046 -6.889 -12.370 288 H ILE 39 H ILE 39 -3.833 -6.932 -11.499 289 HA ILE 39 HA ILE 39 -4.197 -4.068 -11.175 290 HB ILE 39 HB ILE 39 -6.356 -6.176 -11.381 291 1HG1 ILE 39 2HG1 ILE 39 -6.219 -5.297 -13.888 292 2HG1 ILE 39 3HG1 ILE 39 -4.536 -4.998 -13.459 293 1HG2 ILE 39 1HG2 ILE 39 -7.099 -3.931 -10.717 294 2HG2 ILE 39 2HG2 ILE 39 -6.226 -3.222 -12.077 295 3HG2 ILE 39 3HG2 ILE 39 -7.613 -4.270 -12.369 296 1HD1 ILE 39 1HD1 ILE 39 -4.035 -7.198 -13.539 297 2HD1 ILE 39 2HD1 ILE 39 -5.428 -7.622 -12.544 298 3HD1 ILE 39 3HD1 ILE 39 -5.613 -7.437 -14.288 299 H VAL 40 H VAL 40 -3.084 -4.604 -8.930 300 HA VAL 40 HA VAL 40 -4.750 -5.637 -6.854 301 HB VAL 40 HB VAL 40 -2.104 -4.339 -7.072 302 1HG1 VAL 40 1HG1 VAL 40 -3.201 -2.799 -5.471 303 2HG1 VAL 40 2HG1 VAL 40 -3.685 -4.179 -4.485 304 3HG1 VAL 40 3HG1 VAL 40 -1.977 -3.786 -4.675 305 1HG2 VAL 40 1HG2 VAL 40 -2.760 -6.827 -6.741 306 2HG2 VAL 40 2HG2 VAL 40 -1.446 -6.184 -5.757 307 3HG2 VAL 40 3HG2 VAL 40 -3.055 -6.376 -5.063 308 H LYS 41 H LYS 41 -5.487 -4.315 -4.981 309 HA LYS 41 HA LYS 41 -6.126 -1.523 -5.541 310 1HB LYS 41 2HB LYS 41 -8.485 -3.097 -4.694 311 2HB LYS 41 3HB LYS 41 -8.384 -1.717 -5.782 312 1HG LYS 41 2HG LYS 41 -7.551 -3.146 -7.579 313 2HG LYS 41 3HG LYS 41 -7.511 -4.534 -6.493 314 1HD LYS 41 2HD LYS 41 -9.603 -4.965 -7.249 315 2HD LYS 41 3HD LYS 41 -10.105 -3.639 -6.202 316 1HE LYS 41 2HE LYS 41 -9.273 -3.332 -9.102 317 2HE LYS 41 3HE LYS 41 -10.939 -3.359 -8.528 318 1HZ LYS 41 1HZ LYS 41 -8.875 -1.308 -8.143 319 1HZ LYS 41 1HZ LYS 41 -10.082 -1.489 -6.962 320 3HZ LYS 41 3HZ LYS 41 -10.507 -1.126 -8.567 321 H LEU 42 H LEU 42 -5.734 -0.453 -3.730 322 HA LEU 42 HA LEU 42 -6.369 -1.727 -1.142 323 1HB LEU 42 2HB LEU 42 -4.336 -0.445 -0.248 324 2HB LEU 42 3HB LEU 42 -4.009 -1.881 -1.214 325 HG LEU 42 HG LEU 42 -4.219 0.740 -2.643 326 1HD1 LEU 42 1HD1 LEU 42 -1.784 1.134 -2.197 327 2HD1 LEU 42 2HD1 LEU 42 -2.789 1.325 -0.760 328 3HD1 LEU 42 3HD1 LEU 42 -1.839 -0.143 -0.982 329 1HD2 LEU 42 1HD2 LEU 42 -2.997 -0.355 -4.261 330 2HD2 LEU 42 2HD2 LEU 42 -2.063 -1.276 -3.083 331 3HD2 LEU 42 3HD2 LEU 42 -3.707 -1.769 -3.484 332 H GLN 43 H GLN 43 -6.093 0.158 0.629 333 HA GLN 43 HA GLN 43 -7.250 2.656 -0.385 334 1HB GLN 43 2HB GLN 43 -9.233 1.422 0.087 335 2HB GLN 43 3HB GLN 43 -8.570 0.801 1.598 336 1HG GLN 43 2HG GLN 43 -8.672 2.967 2.633 337 2HG GLN 43 3HG GLN 43 -9.033 3.752 1.097 338 1HE2 GLN 43 2HE2 GLN 43 -11.116 2.474 0.004 339 2HE2 GLN 43 1HE2 GLN 43 -12.433 2.347 1.066 340 H LEU 44 H LEU 44 -6.091 4.239 0.431 341 HA LEU 44 HA LEU 44 -4.629 3.896 2.944 342 1HB LEU 44 2HB LEU 44 -3.597 4.859 0.817 343 2HB LEU 44 3HB LEU 44 -4.594 6.286 1.094 344 HG LEU 44 HG LEU 44 -3.540 6.151 3.526 345 1HD1 LEU 44 1HD1 LEU 44 -2.341 4.039 3.137 346 2HD1 LEU 44 2HD1 LEU 44 -1.478 4.766 1.782 347 3HD1 LEU 44 3HD1 LEU 44 -1.195 5.349 3.422 348 1HD2 LEU 44 1HD2 LEU 44 -2.032 7.139 1.080 349 2HD2 LEU 44 2HD2 LEU 44 -3.271 8.032 1.962 350 3HD2 LEU 44 3HD2 LEU 44 -1.732 7.661 2.738 351 H HIS 45 H HIS 45 -4.894 5.291 4.728 352 HA HIS 45 HA HIS 45 -6.782 7.442 4.702 353 1HB HIS 45 2HB HIS 45 -8.520 6.552 6.049 354 2HB HIS 45 3HB HIS 45 -8.263 5.377 4.766 355 HD1 HIS 45 HD1 HIS 45 -7.945 5.856 8.451 356 HD2 HIS 45 HD2 HIS 45 -7.014 2.930 5.632 357 HE1 HIS 45 HE1 HIS 45 -7.426 3.747 9.753 358 H GLY 46 H GLY 46 -5.930 8.890 6.013 359 1HA GLY 46 1HA GLY 46 -4.258 7.979 8.270 360 2HA GLY 46 2HA GLY 46 -4.136 9.548 7.478 361 H ALA 47 H ALA 47 -7.124 9.741 7.422 362 HA ALA 47 HA ALA 47 -8.143 9.716 10.063 363 1HB ALA 47 1HB ALA 47 -6.637 11.485 10.599 364 2HB ALA 47 2HB ALA 47 -6.969 12.324 9.084 365 3HB ALA 47 3HB ALA 47 -8.204 12.249 10.341 366 H CYS 48 H CYS 48 -8.800 12.635 8.390 367 HA CYS 48 HA CYS 48 -10.687 11.751 6.482 368 1HB CYS 48 2HB CYS 48 -12.054 10.957 8.277 369 2HB CYS 48 3HB CYS 48 -11.790 12.427 9.216 370 HG CYS 48 HG CYS 48 -13.196 13.736 7.390 371 H GLY 49 H GLY 49 -9.962 13.384 5.200 372 1HA GLY 49 1HA GLY 49 -10.431 16.152 6.148 373 2HA GLY 49 2HA GLY 49 -9.128 15.713 5.049 374 H THR 50 H THR 50 -9.826 17.089 3.404 375 HA THR 50 HA THR 50 -12.135 16.086 1.882 376 HB THR 50 HB THR 50 -12.834 18.427 1.396 377 HG1 THR 50 HG1 THR 50 -10.571 19.059 2.339 378 1HG2 THR 50 1HG2 THR 50 -14.017 18.756 3.463 379 2HG2 THR 50 2HG2 THR 50 -13.855 17.016 3.231 380 3HG2 THR 50 3HG2 THR 50 -12.801 17.857 4.368 381 H CYS 51 H CYS 51 -9.311 18.236 1.941 382 HA CYS 51 HA CYS 51 -8.698 17.410 -0.823 383 1HB CYS 51 2HB CYS 51 -8.684 20.245 0.242 384 2HB CYS 51 3HB CYS 51 -7.969 19.758 -1.295 385 HG CYS 51 HG CYS 51 -10.259 20.131 -2.183 386 HA PRO 52 HA PRO 52 -5.066 16.995 1.991 387 1HB PRO 52 2HB PRO 52 -4.556 14.425 0.791 388 2HB PRO 52 3HB PRO 52 -5.065 14.781 2.447 389 1HG PRO 52 2HG PRO 52 -6.602 13.521 0.532 390 2HG PRO 52 3HG PRO 52 -7.213 14.292 2.001 391 1HD PRO 52 2HD PRO 52 -7.256 15.295 -0.805 392 2HD PRO 52 3HD PRO 52 -8.392 15.604 0.528 393 H SER 53 H SER 53 -3.369 18.116 1.271 394 HA SER 53 HA SER 53 -2.530 17.931 -1.525 395 1HB SER 53 2HB SER 53 -2.618 20.169 -0.782 396 2HB SER 53 3HB SER 53 -1.864 19.779 0.761 397 HG SER 53 HG SER 53 0.071 19.503 -0.268 398 H SER 54 H SER 54 -1.591 16.855 1.631 399 HA SER 54 HA SER 54 1.142 16.233 0.871 400 1HB SER 54 2HB SER 54 1.514 15.879 3.095 401 2HB SER 54 3HB SER 54 0.043 16.831 3.253 402 HG SER 54 HG SER 54 -1.126 14.892 3.365 403 H THR 55 H THR 55 -1.876 14.465 1.496 404 HA THR 55 HA THR 55 -0.889 11.856 1.298 405 HB THR 55 HB THR 55 -3.585 12.628 0.202 406 HG1 THR 55 HG1 THR 55 -3.173 13.769 2.168 407 1HG2 THR 55 1HG2 THR 55 -4.223 10.482 0.874 408 2HG2 THR 55 2HG2 THR 55 -2.558 10.218 0.358 409 3HG2 THR 55 3HG2 THR 55 -2.936 10.367 2.074 410 H ILE 56 H ILE 56 -1.782 14.171 -1.208 411 HA ILE 56 HA ILE 56 -1.777 12.443 -3.426 412 HB ILE 56 HB ILE 56 -1.065 15.375 -3.190 413 1HG1 ILE 56 2HG1 ILE 56 -3.522 14.062 -4.382 414 2HG1 ILE 56 3HG1 ILE 56 -3.433 14.534 -2.685 415 1HG2 ILE 56 1HG2 ILE 56 -1.177 13.525 -5.561 416 2HG2 ILE 56 2HG2 ILE 56 -1.646 15.215 -5.751 417 3HG2 ILE 56 3HG2 ILE 56 -0.019 14.807 -5.204 418 1HD1 ILE 56 1HD1 ILE 56 -3.337 16.301 -5.130 419 2HD1 ILE 56 2HD1 ILE 56 -4.418 16.406 -3.740 420 3HD1 ILE 56 3HD1 ILE 56 -2.723 16.861 -3.574 421 H THR 57 H THR 57 0.855 14.348 -1.967 422 HA THR 57 HA THR 57 2.879 13.524 -3.767 423 HB THR 57 HB THR 57 3.419 14.213 -0.886 424 HG1 THR 57 HG1 THR 57 3.424 16.432 -2.127 425 1HG2 THR 57 1HG2 THR 57 4.821 15.134 -3.397 426 2HG2 THR 57 2HG2 THR 57 5.439 15.113 -1.745 427 3HG2 THR 57 3HG2 THR 57 5.216 13.600 -2.622 428 H LEU 58 H LEU 58 2.006 12.367 -0.514 429 HA LEU 58 HA LEU 58 3.898 10.305 -0.326 430 1HB LEU 58 2HB LEU 58 2.201 11.287 1.435 431 2HB LEU 58 3HB LEU 58 1.163 9.982 0.859 432 HG LEU 58 HG LEU 58 3.391 8.550 1.176 433 1HD1 LEU 58 1HD1 LEU 58 4.722 9.313 3.050 434 2HD1 LEU 58 2HD1 LEU 58 4.680 10.607 1.853 435 3HD1 LEU 58 3HD1 LEU 58 3.667 10.705 3.293 436 1HD2 LEU 58 1HD2 LEU 58 2.585 8.004 3.474 437 2HD2 LEU 58 2HD2 LEU 58 1.545 9.428 3.421 438 3HD2 LEU 58 3HD2 LEU 58 1.268 8.092 2.304 439 H LYS 59 H LYS 59 0.565 10.279 -1.545 440 HA LYS 59 HA LYS 59 0.145 7.622 -2.069 441 1HB LYS 59 2HB LYS 59 -1.521 9.381 -2.503 442 2HB LYS 59 3HB LYS 59 -0.571 9.947 -3.874 443 1HG LYS 59 2HG LYS 59 -0.820 7.713 -4.940 444 2HG LYS 59 3HG LYS 59 -1.835 7.208 -3.590 445 1HD LYS 59 2HD LYS 59 -3.226 9.352 -4.174 446 2HD LYS 59 3HD LYS 59 -2.421 9.227 -5.740 447 1HE LYS 59 2HE LYS 59 -3.164 6.736 -5.675 448 2HE LYS 59 3HE LYS 59 -4.287 7.261 -4.421 449 1HZ LYS 59 1HZ LYS 59 -4.524 7.545 -7.200 450 1HZ LYS 59 1HZ LYS 59 -4.421 9.098 -6.518 451 3HZ LYS 59 3HZ LYS 59 -5.622 8.015 -5.996 452 H ALA 60 H ALA 60 1.553 9.929 -4.404 453 HA ALA 60 HA ALA 60 2.319 7.995 -6.307 454 1HB ALA 60 1HB ALA 60 2.175 10.340 -6.904 455 2HB ALA 60 2HB ALA 60 3.433 10.751 -5.738 456 3HB ALA 60 3HB ALA 60 3.831 9.790 -7.163 457 H GLY 61 H GLY 61 3.785 9.084 -3.349 458 1HA GLY 61 1HA GLY 61 6.448 8.238 -3.808 459 2HA GLY 61 2HA GLY 61 5.703 8.483 -2.232 460 H ILE 62 H ILE 62 3.835 6.652 -1.941 461 HA ILE 62 HA ILE 62 5.229 4.245 -1.486 462 HB ILE 62 HB ILE 62 2.445 3.649 -1.677 463 1HG1 ILE 62 2HG1 ILE 62 3.016 6.268 -0.242 464 2HG1 ILE 62 3HG1 ILE 62 2.112 6.122 -1.749 465 1HG2 ILE 62 1HG2 ILE 62 4.170 4.329 0.725 466 2HG2 ILE 62 2HG2 ILE 62 2.670 3.401 0.748 467 3HG2 ILE 62 3HG2 ILE 62 4.097 2.748 -0.055 468 1HD1 ILE 62 1HD1 ILE 62 0.511 4.589 -0.565 469 2HD1 ILE 62 2HD1 ILE 62 1.360 4.944 0.940 470 3HD1 ILE 62 3HD1 ILE 62 0.522 6.232 0.075 471 H GLU 63 H GLU 63 2.733 5.003 -3.921 472 HA GLU 63 HA GLU 63 2.585 2.658 -5.313 473 1HB GLU 63 2HB GLU 63 2.027 5.425 -5.863 474 2HB GLU 63 3HB GLU 63 2.744 4.684 -7.292 475 1HG GLU 63 2HG GLU 63 0.279 4.431 -7.275 476 2HG GLU 63 3HG GLU 63 1.095 2.871 -7.214 477 H ARG 64 H ARG 64 4.911 5.267 -6.028 478 HA ARG 64 HA ARG 64 6.377 3.961 -8.001 479 1HB ARG 64 2HB ARG 64 7.155 6.062 -5.978 480 2HB ARG 64 3HB ARG 64 8.278 5.484 -7.210 481 1HG ARG 64 2HG ARG 64 5.526 6.365 -8.040 482 2HG ARG 64 3HG ARG 64 6.753 7.585 -7.700 483 1HD ARG 64 2HD ARG 64 8.251 6.610 -9.348 484 2HD ARG 64 3HD ARG 64 7.140 5.270 -9.618 485 HE ARG 64 HE ARG 64 5.639 6.806 -10.706 486 1HH1 ARG 64 1HH1 ARG 64 8.173 7.267 -12.231 487 2HH1 ARG 64 2HH1 ARG 64 8.309 8.994 -12.227 488 1HH2 ARG 64 1HH2 ARG 64 6.040 9.429 -9.643 489 2HH2 ARG 64 2HH2 ARG 64 7.101 10.217 -10.762 490 H ALA 65 H ALA 65 6.932 4.024 -4.482 491 HA ALA 65 HA ALA 65 9.252 2.455 -4.422 492 1HB ALA 65 1HB ALA 65 8.714 3.519 -2.402 493 2HB ALA 65 2HB ALA 65 7.046 2.949 -2.435 494 3HB ALA 65 3HB ALA 65 8.355 1.824 -2.071 495 H LEU 66 H LEU 66 5.833 1.491 -4.234 496 HA LEU 66 HA LEU 66 6.208 -1.261 -3.872 497 1HB LEU 66 2HB LEU 66 4.016 0.487 -4.841 498 2HB LEU 66 3HB LEU 66 3.926 -1.206 -5.327 499 HG LEU 66 HG LEU 66 4.317 -1.811 -2.887 500 1HD1 LEU 66 1HD1 LEU 66 3.633 1.118 -2.483 501 2HD1 LEU 66 2HD1 LEU 66 3.888 -0.082 -1.217 502 3HD1 LEU 66 3HD1 LEU 66 5.234 0.420 -2.238 503 1HD2 LEU 66 1HD2 LEU 66 1.978 -1.444 -2.275 504 2HD2 LEU 66 2HD2 LEU 66 1.834 -0.168 -3.484 505 3HD2 LEU 66 3HD2 LEU 66 2.074 -1.841 -3.990 506 H HIS 67 H HIS 67 5.595 0.504 -6.914 507 HA HIS 67 HA HIS 67 5.890 -1.624 -8.684 508 1HB HIS 67 2HB HIS 67 6.554 1.307 -9.040 509 2HB HIS 67 3HB HIS 67 6.503 0.141 -10.361 510 HD1 HIS 67 HD1 HIS 67 4.442 1.192 -11.493 511 HD2 HIS 67 HD2 HIS 67 3.740 0.050 -7.546 512 HE1 HIS 67 HE1 HIS 67 1.939 1.331 -11.141 513 H GLU 68 H GLU 68 8.360 0.563 -7.367 514 HA GLU 68 HA GLU 68 10.535 -0.475 -8.861 515 1HB GLU 68 2HB GLU 68 10.312 1.714 -7.415 516 2HB GLU 68 3HB GLU 68 10.919 0.680 -6.122 517 1HG GLU 68 2HG GLU 68 12.908 1.495 -7.022 518 2HG GLU 68 3HG GLU 68 12.720 -0.016 -7.911 519 H GLU 69 H GLU 69 9.333 -1.175 -5.591 520 HA GLU 69 HA GLU 69 11.318 -3.236 -5.152 521 1HB GLU 69 2HB GLU 69 8.938 -2.275 -3.560 522 2HB GLU 69 3HB GLU 69 9.962 -3.614 -3.043 523 1HG GLU 69 2HG GLU 69 11.937 -2.147 -3.098 524 2HG GLU 69 3HG GLU 69 10.936 -0.805 -3.648 525 H VAL 70 H VAL 70 8.574 -3.134 -6.968 526 HA VAL 70 HA VAL 70 8.362 -6.035 -7.041 527 HB VAL 70 HB VAL 70 5.865 -4.382 -6.568 528 1HG1 VAL 70 1HG1 VAL 70 6.322 -7.376 -6.423 529 2HG1 VAL 70 2HG1 VAL 70 4.776 -6.530 -6.355 530 3HG1 VAL 70 3HG1 VAL 70 5.704 -6.551 -7.854 531 1HG2 VAL 70 1HG2 VAL 70 7.436 -6.109 -4.625 532 2HG2 VAL 70 2HG2 VAL 70 7.207 -4.364 -4.515 533 3HG2 VAL 70 3HG2 VAL 70 5.832 -5.449 -4.313 534 HA PRO 71 HA PRO 71 7.858 -3.742 -11.052 535 1HB PRO 71 2HB PRO 71 10.048 -5.288 -12.124 536 2HB PRO 71 3HB PRO 71 9.974 -3.544 -11.831 537 1HG PRO 71 2HG PRO 71 11.549 -5.336 -10.443 538 2HG PRO 71 3HG PRO 71 11.109 -3.715 -9.896 539 1HD PRO 71 2HD PRO 71 10.017 -6.355 -9.046 540 2HD PRO 71 3HD PRO 71 10.169 -4.841 -8.127 541 H GLY 72 H GLY 72 6.329 -4.521 -12.350 542 1HA GLY 72 1HA GLY 72 6.159 -6.517 -14.056 543 2HA GLY 72 2HA GLY 72 5.915 -7.418 -12.562 544 H VAL 73 H VAL 73 4.668 -4.699 -11.615 545 HA VAL 73 HA VAL 73 1.959 -5.468 -11.894 546 HB VAL 73 HB VAL 73 1.454 -3.384 -10.771 547 1HG1 VAL 73 1HG1 VAL 73 4.104 -4.336 -9.675 548 2HG1 VAL 73 2HG1 VAL 73 2.724 -3.705 -8.777 549 3HG1 VAL 73 3HG1 VAL 73 2.629 -5.292 -9.540 550 1HG2 VAL 73 1HG2 VAL 73 3.574 -1.894 -10.289 551 2HG2 VAL 73 2HG2 VAL 73 4.194 -2.639 -11.761 552 3HG2 VAL 73 3HG2 VAL 73 2.702 -1.701 -11.809 553 H ILE 74 H ILE 74 0.260 -4.039 -12.755 554 HA ILE 74 HA ILE 74 1.080 -2.775 -15.296 555 HB ILE 74 HB ILE 74 -1.596 -4.052 -15.147 556 1HG1 ILE 74 2HG1 ILE 74 0.979 -5.648 -15.410 557 2HG1 ILE 74 3HG1 ILE 74 -0.177 -5.772 -14.086 558 1HG2 ILE 74 1HG2 ILE 74 0.522 -4.247 -17.287 559 2HG2 ILE 74 2HG2 ILE 74 -1.231 -4.344 -17.464 560 3HG2 ILE 74 3HG2 ILE 74 -0.467 -2.797 -17.105 561 1HD1 ILE 74 1HD1 ILE 74 -0.653 -7.579 -15.599 562 2HD1 ILE 74 2HD1 ILE 74 -1.933 -6.384 -15.806 563 3HD1 ILE 74 3HD1 ILE 74 -0.631 -6.495 -16.990 564 H GLU 75 H GLU 75 -1.170 -2.866 -12.593 565 HA GLU 75 HA GLU 75 -1.611 -0.026 -12.758 566 1HB GLU 75 2HB GLU 75 -3.238 -1.333 -14.432 567 2HB GLU 75 3HB GLU 75 -4.163 -1.556 -12.947 568 1HG GLU 75 2HG GLU 75 -4.047 0.909 -12.555 569 2HG GLU 75 3HG GLU 75 -3.233 1.086 -14.109 570 H VAL 76 H VAL 76 -2.813 0.776 -10.913 571 HA VAL 76 HA VAL 76 -3.548 -1.135 -8.842 572 HB VAL 76 HB VAL 76 -1.196 -0.972 -8.384 573 1HG1 VAL 76 1HG1 VAL 76 -1.532 2.043 -8.363 574 2HG1 VAL 76 2HG1 VAL 76 -0.034 1.146 -8.122 575 3HG1 VAL 76 3HG1 VAL 76 -0.825 1.132 -9.697 576 1HG2 VAL 76 1HG2 VAL 76 -2.490 1.008 -6.499 577 2HG2 VAL 76 2HG2 VAL 76 -2.913 -0.704 -6.488 578 3HG2 VAL 76 3HG2 VAL 76 -1.260 -0.203 -6.134 579 H GLU 77 H GLU 77 -5.322 -0.429 -7.879 580 HA GLU 77 HA GLU 77 -6.042 2.414 -8.121 581 1HB GLU 77 2HB GLU 77 -7.704 -0.024 -7.445 582 2HB GLU 77 3HB GLU 77 -8.322 1.626 -7.494 583 1HG GLU 77 2HG GLU 77 -8.826 0.707 -9.633 584 2HG GLU 77 3HG GLU 77 -7.426 1.747 -9.886 585 H GLN 78 H GLN 78 -5.041 3.445 -6.469 586 HA GLN 78 HA GLN 78 -5.432 2.395 -3.741 587 1HB GLN 78 2HB GLN 78 -3.094 2.970 -4.541 588 2HB GLN 78 3HB GLN 78 -3.610 4.656 -4.589 589 1HG GLN 78 2HG GLN 78 -4.472 3.960 -2.104 590 2HG GLN 78 3HG GLN 78 -3.065 2.912 -2.252 591 1HE2 GLN 78 2HE2 GLN 78 -3.966 5.956 -1.220 592 2HE2 GLN 78 1HE2 GLN 78 -2.475 6.749 -1.385 593 H VAL 79 H VAL 79 -7.502 3.058 -3.310 594 HA VAL 79 HA VAL 79 -8.268 5.835 -3.765 595 HB VAL 79 HB VAL 79 -10.465 5.160 -2.975 596 1HG1 VAL 79 1HG1 VAL 79 -9.415 2.891 -4.675 597 2HG1 VAL 79 2HG1 VAL 79 -11.011 3.642 -4.723 598 3HG1 VAL 79 3HG1 VAL 79 -9.603 4.527 -5.309 599 1HG2 VAL 79 1HG2 VAL 79 -10.148 3.692 -1.177 600 2HG2 VAL 79 2HG2 VAL 79 -10.660 2.587 -2.451 601 3HG2 VAL 79 3HG2 VAL 79 -8.951 2.729 -2.043 602 H PHE 80 H PHE 80 -7.898 7.387 -2.332 603 HA PHE 80 HA PHE 80 -7.189 6.660 0.419 604 1HB PHE 80 2HB PHE 80 -6.687 9.217 0.497 605 2HB PHE 80 3HB PHE 80 -5.596 8.160 -0.396 606 HD1 PHE 80 HD1 PHE 80 -8.473 10.497 -0.755 607 HD2 PHE 80 HD2 PHE 80 -5.317 8.374 -2.753 608 HE1 PHE 80 HE1 PHE 80 -8.915 11.787 -2.823 609 HE2 PHE 80 HE2 PHE 80 -5.760 9.668 -4.822 610 HZ PHE 80 HZ PHE 80 -7.559 11.373 -4.857 611 H LEU 81 H LEU 81 -8.349 7.275 2.194 612 HA LEU 81 HA LEU 81 -11.062 8.258 1.665 613 1HB LEU 81 2HB LEU 81 -10.563 6.156 3.050 614 2HB LEU 81 3HB LEU 81 -10.023 7.264 4.312 615 HG LEU 81 HG LEU 81 -12.382 8.429 3.657 616 1HD1 LEU 81 1HD1 LEU 81 -14.071 6.776 3.217 617 2HD1 LEU 81 2HD1 LEU 81 -12.802 6.541 2.015 618 3HD1 LEU 81 3HD1 LEU 81 -12.914 5.458 3.402 619 1HD2 LEU 81 1HD2 LEU 81 -11.812 6.181 5.603 620 2HD2 LEU 81 2HD2 LEU 81 -11.808 7.915 5.922 621 3HD2 LEU 81 3HD2 LEU 81 -13.329 7.080 5.608 622 H GLU 82 H GLU 82 -9.140 10.207 1.364 623 HA GLU 82 HA GLU 82 -8.701 12.376 1.968 624 1HB GLU 82 2HB GLU 82 -10.825 12.047 4.091 625 2HB GLU 82 3HB GLU 82 -10.279 13.537 3.327 626 1HG GLU 82 2HG GLU 82 -12.097 13.218 1.988 627 2HG GLU 82 3HG GLU 82 -11.016 12.126 1.126 628 H HIS 83 H HIS 83 -7.620 13.648 3.522 629 HA HIS 83 HA HIS 83 -7.048 12.908 6.166 630 1HB HIS 83 2HB HIS 83 -5.856 10.992 5.271 631 2HB HIS 83 3HB HIS 83 -4.980 12.017 4.136 632 HD1 HIS 83 HD1 HIS 83 -2.664 11.456 5.163 633 HD2 HIS 83 HD2 HIS 83 -5.322 13.158 7.886 634 HE1 HIS 83 HE1 HIS 83 -1.297 12.091 7.198 635 H HIS 84 H HIS 84 -7.569 15.219 5.986 636 HA HIS 84 HA HIS 84 -5.965 17.095 4.650 637 1HB HIS 84 2HB HIS 84 -6.866 18.732 6.331 638 2HB HIS 84 3HB HIS 84 -8.099 17.779 5.510 639 HD1 HIS 84 HD1 HIS 84 -9.859 17.593 7.305 640 HD2 HIS 84 HD2 HIS 84 -6.074 16.571 8.722 641 HE1 HIS 84 HE1 HIS 84 -10.190 16.687 9.646 642 H HIS 85 H HIS 85 -4.809 18.890 6.097 643 HA HIS 85 HA HIS 85 -2.982 17.555 7.992 644 1HB HIS 85 2HB HIS 85 -1.952 17.724 5.699 645 2HB HIS 85 3HB HIS 85 -2.068 19.478 5.841 646 HD1 HIS 85 HD1 HIS 85 0.218 20.314 6.394 647 HD2 HIS 85 HD2 HIS 85 -0.708 16.857 8.530 648 HE1 HIS 85 HE1 HIS 85 2.158 19.905 7.970 649 H HIS 86 H HIS 86 -1.894 19.000 9.452 650 HA HIS 86 HA HIS 86 -3.512 20.898 10.671 651 1HB HIS 86 2HB HIS 86 -1.598 19.862 11.793 652 2HB HIS 86 3HB HIS 86 -0.487 20.707 10.717 653 HD1 HIS 86 HD1 HIS 86 -3.198 22.954 11.439 654 HD2 HIS 86 HD2 HIS 86 0.248 21.796 13.481 655 HE1 HIS 86 HE1 HIS 86 -2.777 24.726 13.198 656 H HIS 87 H HIS 87 -0.648 21.547 8.633 657 HA HIS 87 HA HIS 87 -1.920 23.767 7.326 658 1HB HIS 87 2HB HIS 87 -1.335 24.777 9.536 659 2HB HIS 87 3HB HIS 87 0.358 24.399 9.221 660 HD1 HIS 87 HD1 HIS 87 1.605 26.296 8.218 661 HD2 HIS 87 HD2 HIS 87 -2.420 26.387 7.132 662 HE1 HIS 87 HE1 HIS 87 1.300 28.350 6.770 663 H HIS 88 H HIS 88 -0.445 24.822 5.775 664 HA HIS 88 HA HIS 88 1.068 24.710 4.062 665 1HB HIS 88 2HB HIS 88 2.636 24.866 6.048 666 2HB HIS 88 3HB HIS 88 2.796 23.113 5.967 667 HD1 HIS 88 HD1 HIS 88 2.530 25.311 2.909 668 HD2 HIS 88 HD2 HIS 88 5.422 23.099 4.937 669 HE1 HIS 88 HE1 HIS 88 4.568 25.252 1.408 Start of MODEL 2 1 1H MET 1 1HT MET 1 4.043 -26.791 -6.518 2 2H MET 1 2HT MET 1 2.503 -26.367 -5.937 3 3H MET 1 3HT MET 1 2.661 -27.187 -7.416 4 HA MET 1 HA MET 1 2.154 -28.970 -6.178 5 1HB MET 1 2HB MET 1 4.864 -28.700 -6.687 6 2HB MET 1 3HB MET 1 4.827 -29.131 -4.977 7 1HG MET 1 2HG MET 1 3.104 -30.949 -5.730 8 2HG MET 1 3HG MET 1 3.781 -30.680 -7.336 9 1HE MET 1 1HE MET 1 5.775 -32.135 -8.167 10 2HE MET 1 2HE MET 1 7.283 -31.826 -7.311 11 3HE MET 1 3HE MET 1 6.239 -30.479 -7.758 12 HA PRO 2 HA PRO 2 3.132 -27.782 -1.622 13 1HB PRO 2 2HB PRO 2 3.870 -24.998 -1.490 14 2HB PRO 2 3HB PRO 2 4.830 -26.412 -1.034 15 1HG PRO 2 2HG PRO 2 5.336 -24.739 -3.176 16 2HG PRO 2 3HG PRO 2 6.000 -26.361 -2.949 17 1HD PRO 2 2HD PRO 2 3.807 -25.465 -4.746 18 2HD PRO 2 3HD PRO 2 4.927 -26.835 -4.920 19 H THR 3 H THR 3 2.169 -25.975 -0.016 20 HA THR 3 HA THR 3 -0.575 -25.813 -0.534 21 HB THR 3 HB THR 3 0.610 -23.796 1.304 22 HG1 THR 3 HG1 THR 3 0.569 -26.259 2.415 23 1HG2 THR 3 1HG2 THR 3 -1.274 -24.252 2.565 24 2HG2 THR 3 2HG2 THR 3 -1.882 -24.663 0.963 25 3HG2 THR 3 3HG2 THR 3 -1.337 -25.937 2.053 26 H GLU 4 H GLU 4 -1.831 -23.697 -0.461 27 HA GLU 4 HA GLU 4 -0.571 -21.592 -2.096 28 1HB GLU 4 2HB GLU 4 -2.718 -21.486 -3.424 29 2HB GLU 4 3HB GLU 4 -1.744 -22.926 -3.712 30 1HG GLU 4 2HG GLU 4 -3.224 -24.324 -2.607 31 2HG GLU 4 3HG GLU 4 -3.817 -23.041 -1.554 32 H ASN 5 H ASN 5 -1.286 -21.835 0.749 33 HA ASN 5 HA ASN 5 -3.470 -19.869 0.975 34 1HB ASN 5 2HB ASN 5 -2.830 -22.179 2.456 35 2HB ASN 5 3HB ASN 5 -2.464 -20.815 3.511 36 1HD2 ASN 5 2HD2 ASN 5 -4.275 -19.157 3.751 37 2HD2 ASN 5 1HD2 ASN 5 -5.877 -19.708 3.661 38 HA PRO 6 HA PRO 6 0.128 -17.808 3.359 39 1HB PRO 6 2HB PRO 6 2.609 -19.212 2.900 40 2HB PRO 6 3HB PRO 6 1.729 -19.014 4.422 41 1HG PRO 6 2HG PRO 6 2.055 -21.392 3.066 42 2HG PRO 6 3HG PRO 6 0.820 -21.069 4.291 43 1HD PRO 6 2HD PRO 6 0.551 -21.137 1.317 44 2HD PRO 6 3HD PRO 6 -0.630 -21.574 2.572 45 H THR 7 H THR 7 -0.642 -17.649 0.616 46 HA THR 7 HA THR 7 1.607 -17.179 -1.085 47 HB THR 7 HB THR 7 -0.990 -15.836 -1.657 48 HG1 THR 7 HG1 THR 7 -0.628 -18.610 -1.307 49 1HG2 THR 7 1HG2 THR 7 -0.480 -16.420 -3.860 50 2HG2 THR 7 2HG2 THR 7 1.128 -16.204 -3.169 51 3HG2 THR 7 3HG2 THR 7 0.467 -17.826 -3.373 52 H MET 8 H MET 8 0.912 -14.702 -2.261 53 HA MET 8 HA MET 8 2.485 -12.885 -0.900 54 1HB MET 8 2HB MET 8 0.176 -12.361 -2.787 55 2HB MET 8 3HB MET 8 1.316 -11.124 -2.256 56 1HG MET 8 2HG MET 8 3.165 -12.274 -3.269 57 2HG MET 8 3HG MET 8 2.182 -13.705 -3.578 58 1HE MET 8 1HE MET 8 2.687 -12.715 -7.157 59 2HE MET 8 2HE MET 8 2.088 -14.055 -6.183 60 3HE MET 8 3HE MET 8 3.592 -13.254 -5.737 61 H PHE 9 H PHE 9 -1.044 -13.254 -0.745 62 HA PHE 9 HA PHE 9 -1.853 -11.156 0.784 63 1HB PHE 9 2HB PHE 9 -3.223 -13.145 -0.035 64 2HB PHE 9 3HB PHE 9 -2.690 -13.986 1.420 65 HD1 PHE 9 HD1 PHE 9 -4.550 -11.023 0.165 66 HD2 PHE 9 HD2 PHE 9 -3.618 -13.472 3.569 67 HE1 PHE 9 HE1 PHE 9 -6.331 -9.892 1.467 68 HE2 PHE 9 HE2 PHE 9 -5.397 -12.340 4.871 69 HZ PHE 9 HZ PHE 9 -6.754 -10.551 3.821 70 H ASP 10 H ASP 10 -0.024 -13.949 1.837 71 HA ASP 10 HA ASP 10 -0.177 -13.549 4.630 72 1HB ASP 10 2HB ASP 10 0.725 -15.562 3.199 73 2HB ASP 10 3HB ASP 10 2.263 -14.714 3.335 74 H GLN 11 H GLN 11 2.559 -12.849 2.453 75 HA GLN 11 HA GLN 11 4.104 -11.411 4.283 76 1HB GLN 11 2HB GLN 11 4.390 -12.237 1.666 77 2HB GLN 11 3HB GLN 11 4.370 -10.482 1.520 78 1HG GLN 11 2HG GLN 11 6.110 -10.350 3.305 79 2HG GLN 11 3HG GLN 11 6.181 -12.110 3.326 80 1HE2 GLN 11 2HE2 GLN 11 5.922 -9.908 0.483 81 2HE2 GLN 11 1HE2 GLN 11 7.360 -10.445 -0.241 82 H VAL 12 H VAL 12 2.020 -10.072 1.711 83 HA VAL 12 HA VAL 12 2.447 -7.400 2.247 84 HB VAL 12 HB VAL 12 0.336 -6.979 1.134 85 1HG1 VAL 12 1HG1 VAL 12 0.807 -8.125 -0.885 86 2HG1 VAL 12 2HG1 VAL 12 2.356 -7.942 -0.061 87 3HG1 VAL 12 3HG1 VAL 12 1.514 -9.491 -0.023 88 1HG2 VAL 12 1HG2 VAL 12 -1.231 -8.464 2.110 89 2HG2 VAL 12 2HG2 VAL 12 -1.008 -9.103 0.484 90 3HG2 VAL 12 3HG2 VAL 12 -0.190 -9.863 1.846 91 H ALA 13 H ALA 13 -0.307 -9.320 3.448 92 HA ALA 13 HA ALA 13 -1.334 -7.434 5.147 93 1HB ALA 13 1HB ALA 13 -2.183 -9.419 6.490 94 2HB ALA 13 2HB ALA 13 -2.580 -9.435 4.772 95 3HB ALA 13 3HB ALA 13 -1.268 -10.442 5.383 96 H GLU 14 H GLU 14 1.266 -9.762 5.696 97 HA GLU 14 HA GLU 14 1.668 -9.193 8.453 98 1HB GLU 14 2HB GLU 14 3.448 -10.387 6.330 99 2HB GLU 14 3HB GLU 14 3.973 -10.188 8.001 100 1HG GLU 14 2HG GLU 14 1.359 -11.553 7.378 101 2HG GLU 14 3HG GLU 14 2.872 -12.450 7.289 102 H VAL 15 H VAL 15 3.500 -8.133 5.581 103 HA VAL 15 HA VAL 15 5.221 -6.353 6.908 104 HB VAL 15 HB VAL 15 4.200 -6.358 4.057 105 1HG1 VAL 15 1HG1 VAL 15 6.429 -5.003 3.775 106 2HG1 VAL 15 2HG1 VAL 15 4.972 -4.159 4.297 107 3HG1 VAL 15 3HG1 VAL 15 6.200 -4.613 5.480 108 1HG2 VAL 15 1HG2 VAL 15 6.479 -7.293 3.623 109 2HG2 VAL 15 2HG2 VAL 15 6.766 -7.329 5.361 110 3HG2 VAL 15 3HG2 VAL 15 5.505 -8.338 4.654 111 H ILE 16 H ILE 16 2.178 -5.657 5.161 112 HA ILE 16 HA ILE 16 2.059 -2.913 5.563 113 HB ILE 16 HB ILE 16 -0.217 -4.909 5.509 114 1HG1 ILE 16 2HG1 ILE 16 0.646 -3.101 3.262 115 2HG1 ILE 16 3HG1 ILE 16 1.491 -4.624 3.533 116 1HG2 ILE 16 1HG2 ILE 16 -1.177 -2.934 6.380 117 2HG2 ILE 16 2HG2 ILE 16 -0.133 -1.893 5.415 118 3HG2 ILE 16 3HG2 ILE 16 -1.443 -2.787 4.643 119 1HD1 ILE 16 1HD1 ILE 16 -1.490 -4.299 3.082 120 2HD1 ILE 16 2HD1 ILE 16 -0.331 -4.956 1.927 121 3HD1 ILE 16 3HD1 ILE 16 -0.678 -5.828 3.419 122 H GLU 17 H GLU 17 0.747 -5.485 7.666 123 HA GLU 17 HA GLU 17 -0.397 -3.927 9.644 124 1HB GLU 17 2HB GLU 17 -0.644 -6.325 9.699 125 2HB GLU 17 3HB GLU 17 1.096 -6.548 9.886 126 1HG GLU 17 2HG GLU 17 1.072 -5.579 12.084 127 2HG GLU 17 3HG GLU 17 -0.588 -5.022 11.886 128 H ARG 18 H ARG 18 2.983 -5.000 9.383 129 HA ARG 18 HA ARG 18 3.862 -3.671 11.744 130 1HB ARG 18 2HB ARG 18 5.233 -4.928 9.389 131 2HB ARG 18 3HB ARG 18 6.162 -4.012 10.574 132 1HG ARG 18 2HG ARG 18 5.201 -5.435 12.383 133 2HG ARG 18 3HG ARG 18 4.373 -6.392 11.154 134 1HD ARG 18 2HD ARG 18 6.506 -7.034 10.160 135 2HD ARG 18 3HD ARG 18 7.375 -5.996 11.287 136 HE ARG 18 HE ARG 18 7.029 -7.589 12.973 137 1HH1 ARG 18 1HH2 ARG 18 4.203 -8.315 12.720 138 2HH1 ARG 18 2HH2 ARG 18 4.240 -9.922 12.074 139 1HH2 ARG 18 1HH1 ARG 18 7.537 -9.702 11.012 140 2HH2 ARG 18 2HH1 ARG 18 6.131 -10.708 11.109 141 H LEU 19 H LEU 19 3.922 -2.797 8.297 142 HA LEU 19 HA LEU 19 5.346 -0.340 8.718 143 1HB LEU 19 2HB LEU 19 5.119 -1.803 6.563 144 2HB LEU 19 3HB LEU 19 3.652 -0.861 6.298 145 HG LEU 19 HG LEU 19 5.260 1.182 6.841 146 1HD1 LEU 19 1HD1 LEU 19 7.194 -0.296 7.379 147 2HD1 LEU 19 2HD1 LEU 19 7.165 -0.898 5.721 148 3HD1 LEU 19 3HD1 LEU 19 7.539 0.797 6.038 149 1HD2 LEU 19 1HD2 LEU 19 5.757 1.332 4.396 150 2HD2 LEU 19 2HD2 LEU 19 5.231 -0.342 4.217 151 3HD2 LEU 19 3HD2 LEU 19 4.080 0.895 4.723 152 H ARG 20 H ARG 20 2.009 -1.257 8.879 153 HA ARG 20 HA ARG 20 0.565 0.954 8.226 154 1HB ARG 20 2HB ARG 20 0.251 -1.230 10.137 155 2HB ARG 20 3HB ARG 20 -0.588 0.237 10.639 156 1HG ARG 20 2HG ARG 20 -1.586 0.362 8.326 157 2HG ARG 20 3HG ARG 20 -0.885 -1.223 8.002 158 1HD ARG 20 2HD ARG 20 -2.213 -2.270 9.668 159 2HD ARG 20 3HD ARG 20 -2.658 -0.729 10.394 160 HE ARG 20 HE ARG 20 -3.681 -0.510 7.895 161 1HH1 ARG 20 1HH2 ARG 20 -3.855 -3.459 7.649 162 2HH1 ARG 20 2HH2 ARG 20 -5.395 -3.822 8.354 163 1HH2 ARG 20 1HH1 ARG 20 -5.673 -0.762 9.962 164 2HH2 ARG 20 2HH1 ARG 20 -6.425 -2.293 9.666 165 HA PRO 21 HA PRO 21 1.196 2.909 12.719 166 1HB PRO 21 2HB PRO 21 3.859 2.112 13.473 167 2HB PRO 21 3HB PRO 21 2.337 1.800 14.322 168 1HG PRO 21 2HG PRO 21 3.895 0.044 12.587 169 2HG PRO 21 3HG PRO 21 2.664 -0.361 13.790 170 1HD PRO 21 2HD PRO 21 2.247 -0.596 11.100 171 2HD PRO 21 3HD PRO 21 0.940 -0.260 12.255 172 H PHE 22 H PHE 22 3.701 2.321 10.320 173 HA PHE 22 HA PHE 22 5.060 4.835 10.734 174 1HB PHE 22 2HB PHE 22 6.225 2.848 9.804 175 2HB PHE 22 3HB PHE 22 5.202 2.939 8.372 176 HD1 PHE 22 HD1 PHE 22 7.583 4.978 10.422 177 HD2 PHE 22 HD2 PHE 22 5.816 4.319 6.560 178 HE1 PHE 22 HE1 PHE 22 9.110 6.664 9.435 179 HE2 PHE 22 HE2 PHE 22 7.344 6.006 5.575 180 HZ PHE 22 HZ PHE 22 8.990 7.178 7.011 181 H LEU 23 H LEU 23 2.933 3.520 8.189 182 HA LEU 23 HA LEU 23 2.752 5.823 6.607 183 1HB LEU 23 2HB LEU 23 0.642 3.701 7.075 184 2HB LEU 23 3HB LEU 23 0.661 4.853 5.739 185 HG LEU 23 HG LEU 23 3.080 3.138 6.195 186 1HD1 LEU 23 1HD1 LEU 23 0.381 2.217 5.343 187 2HD1 LEU 23 2HD1 LEU 23 1.743 1.657 4.373 188 3HD1 LEU 23 3HD1 LEU 23 1.692 1.313 6.102 189 1HD2 LEU 23 1HD2 LEU 23 2.991 4.988 4.490 190 2HD2 LEU 23 2HD2 LEU 23 3.300 3.401 3.787 191 3HD2 LEU 23 3HD2 LEU 23 1.691 4.115 3.678 192 H LEU 24 H LEU 24 0.809 4.794 9.393 193 HA LEU 24 HA LEU 24 -1.181 6.739 9.328 194 1HB LEU 24 2HB LEU 24 -0.650 4.688 10.966 195 2HB LEU 24 3HB LEU 24 -0.036 5.992 11.976 196 HG LEU 24 HG LEU 24 -2.824 5.838 10.781 197 1HD1 LEU 24 1HD1 LEU 24 -2.509 4.275 12.643 198 2HD1 LEU 24 2HD1 LEU 24 -1.808 5.560 13.629 199 3HD1 LEU 24 3HD1 LEU 24 -3.509 5.630 13.169 200 1HD2 LEU 24 1HD2 LEU 24 -2.306 8.144 10.916 201 2HD2 LEU 24 2HD2 LEU 24 -3.127 7.812 12.439 202 3HD2 LEU 24 3HD2 LEU 24 -1.369 7.936 12.396 203 H ARG 25 H ARG 25 1.906 6.847 11.096 204 HA ARG 25 HA ARG 25 1.689 9.418 12.136 205 1HB ARG 25 2HB ARG 25 4.041 7.691 11.412 206 2HB ARG 25 3HB ARG 25 4.273 9.312 12.063 207 1HG ARG 25 2HG ARG 25 3.025 8.752 14.067 208 2HG ARG 25 3HG ARG 25 2.580 7.181 13.402 209 1HD ARG 25 2HD ARG 25 4.756 6.332 13.610 210 2HD ARG 25 3HD ARG 25 5.481 7.935 13.669 211 HE ARG 25 HE ARG 25 3.750 7.086 15.895 212 1HH1 ARG 25 1HH2 ARG 25 6.945 6.694 14.880 213 2HH1 ARG 25 2HH2 ARG 25 7.667 7.346 16.312 214 1HH2 ARG 25 1HH1 ARG 25 4.665 8.443 17.650 215 2HH2 ARG 25 2HH1 ARG 25 6.380 8.339 17.875 216 H ASP 26 H ASP 26 2.780 8.413 8.903 217 HA ASP 26 HA ASP 26 3.433 11.221 8.285 218 1HB ASP 26 2HB ASP 26 4.961 9.188 7.771 219 2HB ASP 26 3HB ASP 26 3.872 8.913 6.415 220 H GLY 27 H GLY 27 1.751 8.529 6.616 221 1HA GLY 27 1HA GLY 27 0.170 10.516 5.120 222 2HA GLY 27 2HA GLY 27 0.384 8.827 4.679 223 H GLY 28 H GLY 28 -0.631 7.206 6.142 224 1HA GLY 28 1HA GLY 28 -2.615 7.880 8.036 225 2HA GLY 28 2HA GLY 28 -3.375 7.681 6.459 226 H ASP 29 H ASP 29 -4.506 5.824 7.025 227 HA ASP 29 HA ASP 29 -2.894 3.452 7.732 228 1HB ASP 29 2HB ASP 29 -4.667 3.879 9.320 229 2HB ASP 29 3HB ASP 29 -5.853 4.010 8.026 230 H CYS 30 H CYS 30 -2.727 1.794 6.362 231 HA CYS 30 HA CYS 30 -4.039 2.027 3.742 232 1HB CYS 30 2HB CYS 30 -1.634 0.516 4.756 233 2HB CYS 30 3HB CYS 30 -2.360 0.159 3.189 234 HG CYS 30 HG CYS 30 -0.678 2.619 3.843 235 H THR 31 H THR 31 -5.151 0.249 2.810 236 HA THR 31 HA THR 31 -5.721 -2.065 4.508 237 HB THR 31 HB THR 31 -7.945 -0.288 3.466 238 HG1 THR 31 HG1 THR 31 -8.056 -0.476 6.043 239 1HG2 THR 31 1HG2 THR 31 -9.122 -1.896 5.243 240 2HG2 THR 31 2HG2 THR 31 -8.930 -2.372 3.557 241 3HG2 THR 31 3HG2 THR 31 -7.802 -2.968 4.776 242 H LEU 32 H LEU 32 -5.268 -3.693 3.188 243 HA LEU 32 HA LEU 32 -5.378 -3.539 0.339 244 1HB LEU 32 2HB LEU 32 -4.209 -5.231 2.203 245 2HB LEU 32 3HB LEU 32 -5.445 -6.241 1.458 246 HG LEU 32 HG LEU 32 -3.430 -4.609 -0.115 247 1HD1 LEU 32 1HD1 LEU 32 -2.281 -6.758 -0.504 248 2HD1 LEU 32 2HD1 LEU 32 -2.311 -6.365 1.215 249 3HD1 LEU 32 3HD1 LEU 32 -3.427 -7.567 0.565 250 1HD2 LEU 32 1HD2 LEU 32 -5.277 -6.883 -0.927 251 2HD2 LEU 32 2HD2 LEU 32 -5.563 -5.179 -1.277 252 3HD2 LEU 32 3HD2 LEU 32 -4.181 -6.004 -1.992 253 H VAL 33 H VAL 33 -7.030 -3.937 -1.006 254 HA VAL 33 HA VAL 33 -9.568 -4.847 0.165 255 HB VAL 33 HB VAL 33 -8.877 -3.342 -2.356 256 1HG1 VAL 33 1HG1 VAL 33 -10.606 -4.845 -3.057 257 2HG1 VAL 33 2HG1 VAL 33 -11.479 -4.656 -1.536 258 3HG1 VAL 33 3HG1 VAL 33 -11.413 -3.322 -2.687 259 1HG2 VAL 33 1HG2 VAL 33 -10.626 -2.740 0.052 260 2HG2 VAL 33 2HG2 VAL 33 -9.024 -2.065 -0.250 261 3HG2 VAL 33 3HG2 VAL 33 -10.367 -1.658 -1.317 262 H ASP 34 H ASP 34 -7.310 -5.601 -2.485 263 HA ASP 34 HA ASP 34 -8.188 -8.349 -2.482 264 1HB ASP 34 2HB ASP 34 -9.844 -6.893 -3.924 265 2HB ASP 34 3HB ASP 34 -8.554 -6.982 -5.120 266 H VAL 35 H VAL 35 -6.744 -9.714 -3.430 267 HA VAL 35 HA VAL 35 -4.293 -8.475 -4.519 268 HB VAL 35 HB VAL 35 -4.719 -11.122 -3.107 269 1HG1 VAL 35 1HG1 VAL 35 -2.084 -11.021 -3.300 270 2HG1 VAL 35 2HG1 VAL 35 -3.042 -11.670 -4.629 271 3HG1 VAL 35 3HG1 VAL 35 -2.430 -10.018 -4.708 272 1HG2 VAL 35 1HG2 VAL 35 -4.608 -9.368 -1.500 273 2HG2 VAL 35 2HG2 VAL 35 -2.971 -10.021 -1.567 274 3HG2 VAL 35 3HG2 VAL 35 -3.355 -8.515 -2.402 275 H GLU 36 H GLU 36 -4.553 -8.447 -6.687 276 HA GLU 36 HA GLU 36 -5.544 -10.884 -8.024 277 1HB GLU 36 2HB GLU 36 -6.482 -8.439 -8.397 278 2HB GLU 36 3HB GLU 36 -5.092 -8.305 -9.474 279 1HG GLU 36 2HG GLU 36 -5.828 -10.148 -10.809 280 2HG GLU 36 3HG GLU 36 -7.034 -10.620 -9.616 281 H ASP 37 H ASP 37 -4.471 -11.061 -10.331 282 HA ASP 37 HA ASP 37 -1.838 -11.897 -9.986 283 1HB ASP 37 2HB ASP 37 -3.591 -11.353 -12.329 284 2HB ASP 37 3HB ASP 37 -1.862 -11.509 -12.629 285 H GLY 38 H GLY 38 -2.983 -8.737 -10.113 286 1HA GLY 38 1HA GLY 38 -0.475 -7.532 -9.837 287 2HA GLY 38 2HA GLY 38 -0.934 -7.395 -11.530 288 H ILE 39 H ILE 39 -3.839 -7.305 -10.691 289 HA ILE 39 HA ILE 39 -3.972 -4.429 -10.348 290 HB ILE 39 HB ILE 39 -6.275 -6.385 -10.545 291 1HG1 ILE 39 2HG1 ILE 39 -6.125 -5.311 -13.010 292 2HG1 ILE 39 3HG1 ILE 39 -4.412 -5.265 -12.598 293 1HG2 ILE 39 1HG2 ILE 39 -6.102 -3.455 -11.300 294 2HG2 ILE 39 2HG2 ILE 39 -7.553 -4.451 -11.205 295 3HG2 ILE 39 3HG2 ILE 39 -6.686 -4.014 -9.734 296 1HD1 ILE 39 1HD1 ILE 39 -5.133 -7.793 -11.771 297 2HD1 ILE 39 2HD1 ILE 39 -6.128 -7.572 -13.209 298 3HD1 ILE 39 3HD1 ILE 39 -4.376 -7.415 -13.318 299 H VAL 40 H VAL 40 -2.858 -4.977 -8.159 300 HA VAL 40 HA VAL 40 -4.564 -5.881 -6.034 301 HB VAL 40 HB VAL 40 -1.804 -4.755 -6.253 302 1HG1 VAL 40 1HG1 VAL 40 -3.546 -4.641 -3.787 303 2HG1 VAL 40 2HG1 VAL 40 -1.799 -4.843 -3.651 304 3HG1 VAL 40 3HG1 VAL 40 -2.462 -3.408 -4.431 305 1HG2 VAL 40 1HG2 VAL 40 -2.648 -6.983 -4.444 306 2HG2 VAL 40 2HG2 VAL 40 -2.729 -7.264 -6.184 307 3HG2 VAL 40 3HG2 VAL 40 -1.195 -6.828 -5.430 308 H LYS 41 H LYS 41 -6.181 -4.754 -5.205 309 HA LYS 41 HA LYS 41 -6.347 -1.871 -5.570 310 1HB LYS 41 2HB LYS 41 -8.195 -3.969 -4.437 311 2HB LYS 41 3HB LYS 41 -8.533 -2.248 -4.250 312 1HG LYS 41 2HG LYS 41 -8.695 -1.910 -6.592 313 2HG LYS 41 3HG LYS 41 -7.921 -3.454 -6.953 314 1HD LYS 41 2HD LYS 41 -9.847 -4.675 -6.108 315 2HD LYS 41 3HD LYS 41 -10.605 -3.178 -5.568 316 1HE LYS 41 2HE LYS 41 -11.030 -2.452 -7.768 317 2HE LYS 41 3HE LYS 41 -9.841 -3.556 -8.460 318 1HZ LYS 41 1HZ LYS 41 -11.682 -4.754 -8.894 319 1HZ LYS 41 1HZ LYS 41 -12.588 -4.052 -7.640 320 3HZ LYS 41 3HZ LYS 41 -11.472 -5.287 -7.298 321 H LEU 42 H LEU 42 -6.462 -0.368 -3.844 322 HA LEU 42 HA LEU 42 -5.724 -1.316 -1.165 323 1HB LEU 42 2HB LEU 42 -3.606 -0.864 -2.411 324 2HB LEU 42 3HB LEU 42 -4.142 0.795 -2.659 325 HG LEU 42 HG LEU 42 -4.204 1.158 -0.227 326 1HD1 LEU 42 1HD1 LEU 42 -4.699 -0.841 0.832 327 2HD1 LEU 42 2HD1 LEU 42 -3.648 -1.787 -0.219 328 3HD1 LEU 42 3HD1 LEU 42 -2.955 -0.803 1.071 329 1HD2 LEU 42 1HD2 LEU 42 -2.015 1.183 -1.742 330 2HD2 LEU 42 2HD2 LEU 42 -1.915 1.445 -0.001 331 3HD2 LEU 42 3HD2 LEU 42 -1.542 -0.140 -0.676 332 H GLN 43 H GLN 43 -5.973 0.391 0.485 333 HA GLN 43 HA GLN 43 -7.559 2.718 -0.355 334 1HB GLN 43 2HB GLN 43 -8.523 0.453 1.346 335 2HB GLN 43 3HB GLN 43 -9.070 2.090 1.716 336 1HG GLN 43 2HG GLN 43 -9.973 2.368 -0.499 337 2HG GLN 43 3HG GLN 43 -9.243 0.861 -1.046 338 1HE2 GLN 43 2HE2 GLN 43 -11.881 0.851 -1.486 339 2HE2 GLN 43 1HE2 GLN 43 -12.733 -0.028 -0.310 340 H LEU 44 H LEU 44 -6.372 4.337 0.423 341 HA LEU 44 HA LEU 44 -5.052 4.071 3.033 342 1HB LEU 44 2HB LEU 44 -4.371 5.370 0.624 343 2HB LEU 44 3HB LEU 44 -4.705 6.654 1.784 344 HG LEU 44 HG LEU 44 -2.968 4.298 2.526 345 1HD1 LEU 44 1HD1 LEU 44 -1.944 5.255 0.532 346 2HD1 LEU 44 2HD1 LEU 44 -2.119 6.884 1.185 347 3HD1 LEU 44 3HD1 LEU 44 -1.011 5.741 1.947 348 1HD2 LEU 44 1HD2 LEU 44 -3.959 6.008 4.204 349 2HD2 LEU 44 2HD2 LEU 44 -2.229 5.696 4.291 350 3HD2 LEU 44 3HD2 LEU 44 -2.823 7.156 3.500 351 H HIS 45 H HIS 45 -5.533 5.371 4.798 352 HA HIS 45 HA HIS 45 -7.391 7.547 4.619 353 1HB HIS 45 2HB HIS 45 -9.271 6.655 5.711 354 2HB HIS 45 3HB HIS 45 -8.835 5.419 4.538 355 HD1 HIS 45 HD1 HIS 45 -9.030 6.082 8.204 356 HD2 HIS 45 HD2 HIS 45 -7.660 3.052 5.687 357 HE1 HIS 45 HE1 HIS 45 -8.659 4.048 9.666 358 H GLY 46 H GLY 46 -6.431 8.951 5.900 359 1HA GLY 46 1HA GLY 46 -5.042 8.029 8.323 360 2HA GLY 46 2HA GLY 46 -4.836 9.595 7.543 361 H ALA 47 H ALA 47 -6.491 11.190 7.786 362 HA ALA 47 HA ALA 47 -7.688 11.178 10.407 363 1HB ALA 47 1HB ALA 47 -6.949 13.303 9.852 364 2HB ALA 47 2HB ALA 47 -7.437 13.146 8.164 365 3HB ALA 47 3HB ALA 47 -8.651 13.427 9.411 366 H CYS 48 H CYS 48 -9.428 12.465 7.652 367 HA CYS 48 HA CYS 48 -11.479 10.371 7.832 368 1HB CYS 48 2HB CYS 48 -13.189 12.350 7.820 369 2HB CYS 48 3HB CYS 48 -12.471 11.845 9.349 370 HG CYS 48 HG CYS 48 -12.078 14.380 9.299 371 H GLY 49 H GLY 49 -9.440 11.979 5.959 372 1HA GLY 49 1HA GLY 49 -9.338 11.916 3.616 373 2HA GLY 49 2HA GLY 49 -11.077 11.632 3.563 374 H THR 50 H THR 50 -9.701 14.146 5.531 375 HA THR 50 HA THR 50 -11.302 16.167 4.291 376 HB THR 50 HB THR 50 -10.967 16.503 6.582 377 HG1 THR 50 HG1 THR 50 -10.562 18.418 5.453 378 1HG2 THR 50 1HG2 THR 50 -9.286 15.095 7.293 379 2HG2 THR 50 2HG2 THR 50 -8.191 15.568 5.992 380 3HG2 THR 50 3HG2 THR 50 -8.427 16.634 7.378 381 H CYS 51 H CYS 51 -10.187 15.428 2.143 382 HA CYS 51 HA CYS 51 -8.588 15.739 0.476 383 1HB CYS 51 2HB CYS 51 -8.526 18.192 -0.144 384 2HB CYS 51 3HB CYS 51 -10.136 17.493 0.018 385 HG CYS 51 HG CYS 51 -8.926 19.026 2.450 386 HA PRO 52 HA PRO 52 -4.974 16.677 3.197 387 1HB PRO 52 2HB PRO 52 -3.744 14.246 2.272 388 2HB PRO 52 3HB PRO 52 -4.329 14.632 3.896 389 1HG PRO 52 2HG PRO 52 -5.438 12.770 2.171 390 2HG PRO 52 3HG PRO 52 -6.221 13.461 3.599 391 1HD PRO 52 2HD PRO 52 -6.653 14.097 0.724 392 2HD PRO 52 3HD PRO 52 -7.774 14.236 2.097 393 H SER 53 H SER 53 -3.280 17.830 2.486 394 HA SER 53 HA SER 53 -2.700 17.865 -0.388 395 1HB SER 53 2HB SER 53 -3.127 19.985 0.908 396 2HB SER 53 3HB SER 53 -1.626 19.688 1.778 397 HG SER 53 HG SER 53 -1.126 19.390 -0.797 398 H SER 54 H SER 54 -1.321 16.871 2.650 399 HA SER 54 HA SER 54 1.379 16.609 1.617 400 1HB SER 54 2HB SER 54 1.707 15.442 3.883 401 2HB SER 54 3HB SER 54 1.299 17.154 3.906 402 HG SER 54 HG SER 54 -0.913 16.481 4.165 403 H THR 55 H THR 55 -1.261 14.400 2.561 404 HA THR 55 HA THR 55 0.007 11.959 2.235 405 HB THR 55 HB THR 55 -2.818 12.469 1.294 406 HG1 THR 55 HG1 THR 55 -3.228 12.002 3.607 407 1HG2 THR 55 1HG2 THR 55 -1.565 10.174 1.150 408 2HG2 THR 55 2HG2 THR 55 -1.808 10.132 2.896 409 3HG2 THR 55 3HG2 THR 55 -3.197 10.218 1.814 410 H ILE 56 H ILE 56 -1.166 14.189 -0.193 411 HA ILE 56 HA ILE 56 -1.143 12.539 -2.457 412 HB ILE 56 HB ILE 56 -0.663 15.493 -2.063 413 1HG1 ILE 56 2HG1 ILE 56 -2.898 13.980 -3.451 414 2HG1 ILE 56 3HG1 ILE 56 -2.953 14.444 -1.751 415 1HG2 ILE 56 1HG2 ILE 56 -0.996 15.556 -4.624 416 2HG2 ILE 56 2HG2 ILE 56 0.590 15.064 -4.033 417 3HG2 ILE 56 3HG2 ILE 56 -0.555 13.848 -4.597 418 1HD1 ILE 56 1HD1 ILE 56 -2.551 16.833 -2.487 419 2HD1 ILE 56 2HD1 ILE 56 -2.777 16.286 -4.149 420 3HD1 ILE 56 3HD1 ILE 56 -4.101 16.160 -2.991 421 H THR 57 H THR 57 1.463 14.396 -0.916 422 HA THR 57 HA THR 57 3.467 13.818 -2.838 423 HB THR 57 HB THR 57 3.862 14.377 0.112 424 HG1 THR 57 HG1 THR 57 2.625 16.003 -0.736 425 1HG2 THR 57 1HG2 THR 57 6.052 15.014 -0.460 426 2HG2 THR 57 2HG2 THR 57 5.789 13.572 -1.438 427 3HG2 THR 57 3HG2 THR 57 5.658 15.170 -2.172 428 H LEU 58 H LEU 58 2.798 12.355 0.360 429 HA LEU 58 HA LEU 58 4.747 10.349 0.239 430 1HB LEU 58 2HB LEU 58 3.365 10.976 2.261 431 2HB LEU 58 3HB LEU 58 2.038 10.052 1.554 432 HG LEU 58 HG LEU 58 3.892 8.170 1.331 433 1HD1 LEU 58 1HD1 LEU 58 4.885 9.823 3.673 434 2HD1 LEU 58 2HD1 LEU 58 5.494 8.239 3.194 435 3HD1 LEU 58 3HD1 LEU 58 5.724 9.630 2.133 436 1HD2 LEU 58 1HD2 LEU 58 2.691 8.838 4.035 437 2HD2 LEU 58 2HD2 LEU 58 1.784 8.113 2.708 438 3HD2 LEU 58 3HD2 LEU 58 3.133 7.239 3.436 439 H LYS 59 H LYS 59 1.340 10.277 -0.789 440 HA LYS 59 HA LYS 59 1.093 7.649 -1.594 441 1HB LYS 59 2HB LYS 59 -0.663 9.512 -1.656 442 2HB LYS 59 3HB LYS 59 0.016 9.959 -3.219 443 1HG LYS 59 2HG LYS 59 -0.284 7.365 -3.716 444 2HG LYS 59 3HG LYS 59 -1.496 7.492 -2.443 445 1HD LYS 59 2HD LYS 59 -2.251 9.629 -3.824 446 2HD LYS 59 3HD LYS 59 -1.449 8.784 -5.147 447 1HE LYS 59 2HE LYS 59 -2.851 6.816 -4.794 448 2HE LYS 59 3HE LYS 59 -3.596 7.564 -3.383 449 1HZ LYS 59 1HZ LYS 59 -4.141 7.974 -6.176 450 1HZ LYS 59 1HZ LYS 59 -3.942 9.426 -5.316 451 3HZ LYS 59 3HZ LYS 59 -5.111 8.298 -4.824 452 H ALA 60 H ALA 60 2.235 10.387 -3.562 453 HA ALA 60 HA ALA 60 2.908 8.897 -5.858 454 1HB ALA 60 1HB ALA 60 3.812 10.869 -6.678 455 2HB ALA 60 2HB ALA 60 2.716 11.493 -5.444 456 3HB ALA 60 3HB ALA 60 4.441 11.358 -5.104 457 H GLY 61 H GLY 61 4.490 9.300 -2.816 458 1HA GLY 61 1HA GLY 61 7.148 8.655 -3.662 459 2HA GLY 61 2HA GLY 61 6.548 8.644 -2.007 460 H ILE 62 H ILE 62 4.765 6.773 -1.753 461 HA ILE 62 HA ILE 62 6.192 4.340 -1.951 462 HB ILE 62 HB ILE 62 3.736 3.409 -1.504 463 1HG1 ILE 62 2HG1 ILE 62 3.506 6.266 -0.528 464 2HG1 ILE 62 3HG1 ILE 62 2.787 5.729 -2.045 465 1HG2 ILE 62 1HG2 ILE 62 5.344 5.063 0.465 466 2HG2 ILE 62 2HG2 ILE 62 4.138 3.851 0.897 467 3HG2 ILE 62 3HG2 ILE 62 5.620 3.365 0.075 468 1HD1 ILE 62 1HD1 ILE 62 1.141 5.615 -0.222 469 2HD1 ILE 62 2HD1 ILE 62 1.511 3.999 -0.825 470 3HD1 ILE 62 3HD1 ILE 62 2.217 4.558 0.693 471 H GLU 63 H GLU 63 3.388 5.573 -3.784 472 HA GLU 63 HA GLU 63 2.872 3.462 -5.458 473 1HB GLU 63 2HB GLU 63 1.741 5.753 -5.396 474 2HB GLU 63 3HB GLU 63 3.020 6.301 -6.477 475 1HG GLU 63 2HG GLU 63 2.410 4.509 -8.083 476 2HG GLU 63 3HG GLU 63 1.106 4.006 -7.008 477 H ARG 64 H ARG 64 5.126 6.123 -6.265 478 HA ARG 64 HA ARG 64 6.223 5.015 -8.566 479 1HB ARG 64 2HB ARG 64 6.602 7.345 -7.696 480 2HB ARG 64 3HB ARG 64 7.741 6.664 -6.534 481 1HG ARG 64 2HG ARG 64 9.048 5.699 -8.427 482 2HG ARG 64 3HG ARG 64 7.942 6.481 -9.558 483 1HD ARG 64 2HD ARG 64 9.640 7.912 -7.491 484 2HD ARG 64 3HD ARG 64 9.987 7.830 -9.216 485 HE ARG 64 HE ARG 64 7.815 9.357 -7.953 486 1HH1 ARG 64 1HH2 ARG 64 10.018 10.483 -9.769 487 2HH1 ARG 64 2HH2 ARG 64 9.140 10.749 -11.239 488 1HH2 ARG 64 1HH1 ARG 64 6.449 8.777 -10.301 489 2HH2 ARG 64 2HH1 ARG 64 7.123 9.781 -11.540 490 H ALA 65 H ALA 65 7.298 4.639 -5.190 491 HA ALA 65 HA ALA 65 9.573 3.075 -5.659 492 1HB ALA 65 1HB ALA 65 9.586 2.654 -3.378 493 2HB ALA 65 2HB ALA 65 8.601 4.115 -3.446 494 3HB ALA 65 3HB ALA 65 7.828 2.538 -3.281 495 H LEU 66 H LEU 66 6.311 1.953 -4.738 496 HA LEU 66 HA LEU 66 6.766 -0.791 -5.032 497 1HB LEU 66 2HB LEU 66 4.364 0.982 -5.035 498 2HB LEU 66 3HB LEU 66 4.159 -0.657 -5.648 499 HG LEU 66 HG LEU 66 5.128 -1.558 -3.553 500 1HD1 LEU 66 1HD1 LEU 66 6.563 0.376 -2.993 501 2HD1 LEU 66 2HD1 LEU 66 5.128 1.347 -2.671 502 3HD1 LEU 66 3HD1 LEU 66 5.506 -0.036 -1.645 503 1HD2 LEU 66 1HD2 LEU 66 3.185 -1.250 -2.236 504 2HD2 LEU 66 2HD2 LEU 66 2.957 0.405 -2.804 505 3HD2 LEU 66 3HD2 LEU 66 2.626 -0.952 -3.881 506 H HIS 67 H HIS 67 5.457 1.551 -7.367 507 HA HIS 67 HA HIS 67 4.993 -0.113 -9.529 508 1HB HIS 67 2HB HIS 67 5.866 2.762 -9.331 509 2HB HIS 67 3HB HIS 67 5.646 1.989 -10.899 510 HD1 HIS 67 HD1 HIS 67 3.458 2.961 -11.673 511 HD2 HIS 67 HD2 HIS 67 3.233 1.520 -7.767 512 HE1 HIS 67 HE1 HIS 67 1.020 3.091 -10.999 513 H GLU 68 H GLU 68 8.019 1.368 -8.464 514 HA GLU 68 HA GLU 68 9.630 0.628 -10.648 515 1HB GLU 68 2HB GLU 68 10.159 2.217 -8.674 516 2HB GLU 68 3HB GLU 68 10.653 0.756 -7.820 517 1HG GLU 68 2HG GLU 68 12.045 0.274 -9.989 518 2HG GLU 68 3HG GLU 68 11.847 1.997 -10.288 519 H GLU 69 H GLU 69 9.287 -0.977 -7.455 520 HA GLU 69 HA GLU 69 10.648 -3.335 -8.455 521 1HB GLU 69 2HB GLU 69 9.408 -2.717 -5.760 522 2HB GLU 69 3HB GLU 69 10.348 -4.159 -6.135 523 1HG GLU 69 2HG GLU 69 12.317 -2.827 -6.610 524 2HG GLU 69 3HG GLU 69 11.397 -1.333 -6.445 525 H VAL 70 H VAL 70 8.472 -4.371 -6.257 526 HA VAL 70 HA VAL 70 6.867 -6.042 -6.495 527 HB VAL 70 HB VAL 70 5.474 -3.828 -8.017 528 1HG1 VAL 70 1HG1 VAL 70 4.353 -5.778 -5.991 529 2HG1 VAL 70 2HG1 VAL 70 3.466 -4.775 -7.138 530 3HG1 VAL 70 3HG1 VAL 70 4.405 -6.151 -7.712 531 1HG2 VAL 70 1HG2 VAL 70 6.642 -3.022 -5.922 532 2HG2 VAL 70 2HG2 VAL 70 4.888 -2.856 -5.882 533 3HG2 VAL 70 3HG2 VAL 70 5.669 -4.174 -5.011 534 HA PRO 71 HA PRO 71 8.377 -6.786 -11.005 535 1HB PRO 71 2HB PRO 71 8.899 -9.471 -10.087 536 2HB PRO 71 3HB PRO 71 10.062 -8.254 -10.637 537 1HG PRO 71 2HG PRO 71 9.318 -9.027 -7.913 538 2HG PRO 71 3HG PRO 71 10.772 -8.205 -8.500 539 1HD PRO 71 2HD PRO 71 8.857 -6.925 -7.046 540 2HD PRO 71 3HD PRO 71 9.833 -6.097 -8.281 541 H GLY 72 H GLY 72 6.336 -6.737 -11.884 542 1HA GLY 72 1HA GLY 72 4.911 -8.539 -12.982 543 2HA GLY 72 2HA GLY 72 4.537 -9.017 -11.328 544 H VAL 73 H VAL 73 4.839 -5.856 -10.941 545 HA VAL 73 HA VAL 73 2.053 -5.349 -10.768 546 HB VAL 73 HB VAL 73 3.656 -4.176 -9.337 547 1HG1 VAL 73 1HG1 VAL 73 5.244 -2.607 -10.163 548 2HG1 VAL 73 2HG1 VAL 73 5.413 -4.021 -11.201 549 3HG1 VAL 73 3HG1 VAL 73 4.524 -2.610 -11.773 550 1HG2 VAL 73 1HG2 VAL 73 2.494 -2.036 -11.103 551 2HG2 VAL 73 2HG2 VAL 73 1.418 -3.132 -10.236 552 3HG2 VAL 73 3HG2 VAL 73 2.546 -2.115 -9.341 553 H ILE 74 H ILE 74 0.667 -4.252 -12.034 554 HA ILE 74 HA ILE 74 1.636 -3.416 -14.700 555 HB ILE 74 HB ILE 74 -1.134 -4.424 -14.543 556 1HG1 ILE 74 2HG1 ILE 74 1.265 -6.209 -14.057 557 2HG1 ILE 74 3HG1 ILE 74 -0.230 -6.127 -13.129 558 1HG2 ILE 74 1HG2 ILE 74 0.219 -3.676 -16.581 559 2HG2 ILE 74 2HG2 ILE 74 1.125 -5.179 -16.400 560 3HG2 ILE 74 3HG2 ILE 74 -0.609 -5.227 -16.720 561 1HD1 ILE 74 1HD1 ILE 74 0.264 -7.386 -15.812 562 2HD1 ILE 74 2HD1 ILE 74 -0.574 -8.049 -14.409 563 3HD1 ILE 74 3HD1 ILE 74 -1.355 -6.819 -15.402 564 H GLU 75 H GLU 75 -1.083 -3.217 -12.415 565 HA GLU 75 HA GLU 75 -1.153 -0.349 -12.558 566 1HB GLU 75 2HB GLU 75 -2.367 -1.342 -14.685 567 2HB GLU 75 3HB GLU 75 -3.680 -1.628 -13.543 568 1HG GLU 75 2HG GLU 75 -3.247 0.859 -12.837 569 2HG GLU 75 3HG GLU 75 -2.459 0.978 -14.409 570 H VAL 76 H VAL 76 -1.356 -0.023 -10.423 571 HA VAL 76 HA VAL 76 -2.987 -1.792 -8.782 572 HB VAL 76 HB VAL 76 -2.166 -0.400 -6.902 573 1HG1 VAL 76 1HG1 VAL 76 -0.827 -2.313 -7.707 574 2HG1 VAL 76 2HG1 VAL 76 -0.003 -1.255 -8.850 575 3HG1 VAL 76 3HG1 VAL 76 0.209 -1.015 -7.116 576 1HG2 VAL 76 1HG2 VAL 76 -1.065 1.229 -9.193 577 2HG2 VAL 76 2HG2 VAL 76 -1.930 1.780 -7.759 578 3HG2 VAL 76 3HG2 VAL 76 -0.259 1.235 -7.625 579 H GLU 77 H GLU 77 -4.257 -0.481 -6.978 580 HA GLU 77 HA GLU 77 -5.720 1.795 -8.088 581 1HB GLU 77 2HB GLU 77 -6.913 -0.925 -7.635 582 2HB GLU 77 3HB GLU 77 -7.898 0.514 -7.369 583 1HG GLU 77 2HG GLU 77 -7.349 1.292 -9.664 584 2HG GLU 77 3HG GLU 77 -6.421 -0.181 -9.927 585 H GLN 78 H GLN 78 -4.738 2.917 -6.354 586 HA GLN 78 HA GLN 78 -5.567 2.122 -3.640 587 1HB GLN 78 2HB GLN 78 -3.136 2.596 -4.107 588 2HB GLN 78 3HB GLN 78 -3.586 4.270 -4.433 589 1HG GLN 78 2HG GLN 78 -4.803 4.000 -2.060 590 2HG GLN 78 3HG GLN 78 -3.551 2.784 -1.842 591 1HE2 GLN 78 2HE2 GLN 78 -4.142 5.969 -1.214 592 2HE2 GLN 78 1HE2 GLN 78 -2.557 6.574 -1.266 593 H VAL 79 H VAL 79 -7.716 2.815 -3.703 594 HA VAL 79 HA VAL 79 -8.281 5.608 -4.342 595 HB VAL 79 HB VAL 79 -10.590 5.028 -4.197 596 1HG1 VAL 79 1HG1 VAL 79 -10.756 3.152 -5.742 597 2HG1 VAL 79 2HG1 VAL 79 -9.346 4.121 -6.166 598 3HG1 VAL 79 3HG1 VAL 79 -9.142 2.599 -5.297 599 1HG2 VAL 79 1HG2 VAL 79 -11.239 2.692 -3.392 600 2HG2 VAL 79 2HG2 VAL 79 -9.604 2.558 -2.745 601 3HG2 VAL 79 3HG2 VAL 79 -10.694 3.805 -2.138 602 H PHE 80 H PHE 80 -9.949 6.633 -2.740 603 HA PHE 80 HA PHE 80 -8.769 6.467 -0.033 604 1HB PHE 80 2HB PHE 80 -10.218 8.782 -1.342 605 2HB PHE 80 3HB PHE 80 -9.465 8.793 0.252 606 HD1 PHE 80 HD1 PHE 80 -8.966 9.495 -3.188 607 HD2 PHE 80 HD2 PHE 80 -6.925 8.066 0.313 608 HE1 PHE 80 HE1 PHE 80 -6.786 10.078 -4.219 609 HE2 PHE 80 HE2 PHE 80 -4.747 8.651 -0.718 610 HZ PHE 80 HZ PHE 80 -4.679 9.658 -2.985 611 H LEU 81 H LEU 81 -10.012 5.238 1.223 612 HA LEU 81 HA LEU 81 -12.906 5.221 0.842 613 1HB LEU 81 2HB LEU 81 -11.526 3.120 1.269 614 2HB LEU 81 3HB LEU 81 -11.351 3.689 2.930 615 HG LEU 81 HG LEU 81 -14.007 3.989 2.692 616 1HD1 LEU 81 1HD1 LEU 81 -14.073 3.218 0.356 617 2HD1 LEU 81 2HD1 LEU 81 -13.321 1.695 0.828 618 3HD1 LEU 81 3HD1 LEU 81 -14.941 2.093 1.400 619 1HD2 LEU 81 1HD2 LEU 81 -12.478 1.445 3.296 620 2HD2 LEU 81 2HD2 LEU 81 -13.022 2.672 4.442 621 3HD2 LEU 81 3HD2 LEU 81 -14.199 1.640 3.630 622 H GLU 82 H GLU 82 -13.546 7.233 1.535 623 HA GLU 82 HA GLU 82 -12.773 8.369 4.048 624 1HB GLU 82 2HB GLU 82 -14.661 9.950 3.595 625 2HB GLU 82 3HB GLU 82 -13.514 9.821 2.261 626 1HG GLU 82 2HG GLU 82 -14.980 8.357 1.034 627 2HG GLU 82 3HG GLU 82 -16.059 8.184 2.415 628 H HIS 83 H HIS 83 -14.552 5.699 3.411 629 HA HIS 83 HA HIS 83 -16.586 6.114 5.475 630 1HB HIS 83 2HB HIS 83 -16.943 4.878 3.209 631 2HB HIS 83 3HB HIS 83 -16.127 3.528 3.997 632 HD1 HIS 83 HD1 HIS 83 -17.352 2.375 5.971 633 HD2 HIS 83 HD2 HIS 83 -19.509 5.513 4.274 634 HE1 HIS 83 HE1 HIS 83 -19.692 2.235 6.930 635 H HIS 84 H HIS 84 -15.432 6.188 7.380 636 HA HIS 84 HA HIS 84 -13.314 4.505 8.130 637 1HB HIS 84 2HB HIS 84 -13.842 6.574 9.331 638 2HB HIS 84 3HB HIS 84 -15.373 5.889 9.871 639 HD1 HIS 84 HD1 HIS 84 -15.293 4.815 12.112 640 HD2 HIS 84 HD2 HIS 84 -11.540 4.817 10.295 641 HE1 HIS 84 HE1 HIS 84 -13.684 3.814 13.791 642 H HIS 85 H HIS 85 -15.855 4.204 10.408 643 HA HIS 85 HA HIS 85 -16.951 2.390 11.282 644 1HB HIS 85 2HB HIS 85 -17.952 2.605 8.905 645 2HB HIS 85 3HB HIS 85 -16.962 1.199 8.515 646 HD1 HIS 85 HD1 HIS 85 -17.892 -1.034 9.150 647 HD2 HIS 85 HD2 HIS 85 -19.802 2.069 11.175 648 HE1 HIS 85 HE1 HIS 85 -19.809 -2.086 10.426 649 H HIS 86 H HIS 86 -16.814 0.005 11.645 650 HA HIS 86 HA HIS 86 -14.136 -1.091 11.033 651 1HB HIS 86 2HB HIS 86 -14.239 -2.109 13.386 652 2HB HIS 86 3HB HIS 86 -13.887 -0.384 13.283 653 HD1 HIS 86 HD1 HIS 86 -17.043 -2.534 13.511 654 HD2 HIS 86 HD2 HIS 86 -15.502 1.044 14.990 655 HE1 HIS 86 HE1 HIS 86 -18.815 -1.571 15.043 656 H HIS 87 H HIS 87 -14.016 -3.395 11.030 657 HA HIS 87 HA HIS 87 -16.507 -4.644 10.179 658 1HB HIS 87 2HB HIS 87 -14.314 -4.919 8.946 659 2HB HIS 87 3HB HIS 87 -13.749 -5.882 10.311 660 HD1 HIS 87 HD1 HIS 87 -16.210 -7.556 10.947 661 HD2 HIS 87 HD2 HIS 87 -14.920 -6.841 7.048 662 HE1 HIS 87 HE1 HIS 87 -17.166 -9.419 9.525 663 H HIS 88 H HIS 88 -13.964 -5.216 12.601 664 HA HIS 88 HA HIS 88 -15.639 -7.202 13.947 665 1HB HIS 88 2HB HIS 88 -13.206 -7.622 13.573 666 2HB HIS 88 3HB HIS 88 -12.838 -6.254 14.621 667 HD1 HIS 88 HD1 HIS 88 -11.668 -7.950 16.282 668 HD2 HIS 88 HD2 HIS 88 -15.769 -8.532 15.815 669 HE1 HIS 88 HE1 HIS 88 -12.397 -9.459 18.179 Start of MODEL 3 1 1H MET 1 1HT MET 1 14.634 -18.086 0.088 2 2H MET 1 2HT MET 1 15.266 -17.783 -1.459 3 3H MET 1 3HT MET 1 16.068 -18.847 -0.406 4 HA MET 1 HA MET 1 14.229 -19.513 -2.333 5 1HB MET 1 2HB MET 1 16.143 -20.820 -1.198 6 2HB MET 1 3HB MET 1 14.962 -21.230 0.045 7 1HG MET 1 2HG MET 1 13.501 -21.844 -2.132 8 2HG MET 1 3HG MET 1 15.113 -22.121 -2.793 9 1HE MET 1 1HE MET 1 15.746 -24.313 -3.014 10 2HE MET 1 2HE MET 1 16.122 -25.388 -1.669 11 3HE MET 1 3HE MET 1 16.883 -23.801 -1.760 12 HA PRO 2 HA PRO 2 10.769 -18.739 0.686 13 1HB PRO 2 2HB PRO 2 9.359 -17.325 -1.393 14 2HB PRO 2 3HB PRO 2 10.021 -16.681 0.117 15 1HG PRO 2 2HG PRO 2 10.953 -16.116 -2.425 16 2HG PRO 2 3HG PRO 2 11.832 -15.849 -0.914 17 1HD PRO 2 2HD PRO 2 12.176 -18.012 -2.933 18 2HD PRO 2 3HD PRO 2 13.365 -17.295 -1.823 19 H THR 3 H THR 3 9.128 -20.181 0.848 20 HA THR 3 HA THR 3 8.673 -22.056 -1.290 21 HB THR 3 HB THR 3 7.200 -21.818 1.342 22 HG1 THR 3 HG1 THR 3 9.249 -22.111 1.931 23 1HG2 THR 3 1HG2 THR 3 7.377 -23.848 -0.849 24 2HG2 THR 3 2HG2 THR 3 7.226 -24.424 0.811 25 3HG2 THR 3 3HG2 THR 3 5.988 -23.370 0.127 26 H GLU 4 H GLU 4 6.455 -22.664 -1.959 27 HA GLU 4 HA GLU 4 4.956 -20.267 -2.740 28 1HB GLU 4 2HB GLU 4 4.625 -23.150 -3.617 29 2HB GLU 4 3HB GLU 4 3.863 -21.738 -4.349 30 1HG GLU 4 2HG GLU 4 5.990 -20.863 -5.066 31 2HG GLU 4 3HG GLU 4 6.864 -22.083 -4.143 32 H ASN 5 H ASN 5 4.812 -21.239 0.018 33 HA ASN 5 HA ASN 5 2.038 -22.223 0.146 34 1HB ASN 5 2HB ASN 5 4.341 -22.824 1.677 35 2HB ASN 5 3HB ASN 5 3.256 -21.926 2.740 36 1HD2 ASN 5 2HD2 ASN 5 3.923 -25.037 1.671 37 2HD2 ASN 5 1HD2 ASN 5 2.408 -25.744 1.953 38 HA PRO 6 HA PRO 6 1.862 -18.137 2.570 39 1HB PRO 6 2HB PRO 6 4.387 -16.739 2.482 40 2HB PRO 6 3HB PRO 6 3.593 -17.459 3.891 41 1HG PRO 6 2HG PRO 6 5.944 -18.356 2.793 42 2HG PRO 6 3HG PRO 6 4.858 -19.330 3.798 43 1HD PRO 6 2HD PRO 6 5.135 -19.301 0.807 44 2HD PRO 6 3HD PRO 6 4.845 -20.676 1.902 45 H THR 7 H THR 7 0.626 -17.446 0.791 46 HA THR 7 HA THR 7 1.789 -16.449 -1.616 47 HB THR 7 HB THR 7 -0.531 -15.709 -2.139 48 HG1 THR 7 HG1 THR 7 -2.093 -15.922 -0.630 49 1HG2 THR 7 1HG2 THR 7 -1.547 -17.992 -2.020 50 2HG2 THR 7 2HG2 THR 7 0.106 -18.004 -2.637 51 3HG2 THR 7 3HG2 THR 7 -0.217 -18.492 -0.973 52 H MET 8 H MET 8 0.944 -14.183 -2.400 53 HA MET 8 HA MET 8 2.415 -12.196 -1.159 54 1HB MET 8 2HB MET 8 -0.026 -11.982 -2.932 55 2HB MET 8 3HB MET 8 0.954 -10.595 -2.454 56 1HG MET 8 2HG MET 8 2.703 -11.195 -3.805 57 2HG MET 8 3HG MET 8 2.447 -12.920 -3.543 58 1HE MET 8 1HE MET 8 -0.083 -10.237 -6.308 59 2HE MET 8 2HE MET 8 1.387 -9.715 -5.491 60 3HE MET 8 3HE MET 8 -0.039 -10.123 -4.543 61 H PHE 9 H PHE 9 -1.120 -12.666 -0.946 62 HA PHE 9 HA PHE 9 -1.961 -10.663 0.633 63 1HB PHE 9 2HB PHE 9 -3.276 -12.713 -0.109 64 2HB PHE 9 3HB PHE 9 -2.643 -13.527 1.322 65 HD1 PHE 9 HD1 PHE 9 -3.142 -12.583 3.612 66 HD2 PHE 9 HD2 PHE 9 -5.042 -11.115 0.047 67 HE1 PHE 9 HE1 PHE 9 -4.910 -11.522 4.991 68 HE2 PHE 9 HE2 PHE 9 -6.809 -10.053 1.428 69 HZ PHE 9 HZ PHE 9 -6.744 -10.258 3.900 70 H ASP 10 H ASP 10 -0.295 -13.554 1.866 71 HA ASP 10 HA ASP 10 -0.280 -12.879 4.587 72 1HB ASP 10 2HB ASP 10 1.844 -14.393 3.051 73 2HB ASP 10 3HB ASP 10 1.577 -14.453 4.792 74 H GLN 11 H GLN 11 2.208 -12.330 2.108 75 HA GLN 11 HA GLN 11 4.036 -10.917 3.703 76 1HB GLN 11 2HB GLN 11 3.817 -11.707 1.008 77 2HB GLN 11 3HB GLN 11 4.048 -9.963 0.983 78 1HG GLN 11 2HG GLN 11 6.035 -10.156 2.386 79 2HG GLN 11 3HG GLN 11 5.792 -11.899 2.531 80 1HE2 GLN 11 2HE2 GLN 11 5.212 -10.166 -0.511 81 2HE2 GLN 11 1HE2 GLN 11 6.524 -10.847 -1.347 82 H VAL 12 H VAL 12 2.040 -9.453 1.149 83 HA VAL 12 HA VAL 12 2.426 -6.825 1.794 84 HB VAL 12 HB VAL 12 0.579 -6.328 0.455 85 1HG1 VAL 12 1HG1 VAL 12 1.018 -9.207 -0.290 86 2HG1 VAL 12 2HG1 VAL 12 0.717 -7.838 -1.354 87 3HG1 VAL 12 3HG1 VAL 12 2.268 -7.988 -0.526 88 1HG2 VAL 12 1HG2 VAL 12 -1.193 -7.304 1.820 89 2HG2 VAL 12 2HG2 VAL 12 -1.347 -7.909 0.173 90 3HG2 VAL 12 3HG2 VAL 12 -0.642 -8.933 1.421 91 H ALA 13 H ALA 13 -0.192 -8.902 3.032 92 HA ALA 13 HA ALA 13 -1.376 -7.088 4.730 93 1HB ALA 13 1HB ALA 13 -0.952 -10.049 5.208 94 2HB ALA 13 2HB ALA 13 -2.122 -9.037 6.054 95 3HB ALA 13 3HB ALA 13 -2.296 -9.330 4.323 96 H GLU 14 H GLU 14 1.317 -9.306 5.362 97 HA GLU 14 HA GLU 14 1.817 -8.512 8.037 98 1HB GLU 14 2HB GLU 14 2.685 -10.603 7.058 99 2HB GLU 14 3HB GLU 14 3.744 -9.669 6.004 100 1HG GLU 14 2HG GLU 14 3.829 -9.277 8.991 101 2HG GLU 14 3HG GLU 14 4.715 -10.601 8.240 102 H VAL 15 H VAL 15 3.487 -7.631 5.019 103 HA VAL 15 HA VAL 15 5.318 -5.829 6.099 104 HB VAL 15 HB VAL 15 4.021 -5.778 3.361 105 1HG1 VAL 15 1HG1 VAL 15 5.092 -3.697 3.600 106 2HG1 VAL 15 2HG1 VAL 15 6.398 -4.380 4.570 107 3HG1 VAL 15 3HG1 VAL 15 6.323 -4.706 2.839 108 1HG2 VAL 15 1HG2 VAL 15 5.084 -7.824 3.332 109 2HG2 VAL 15 2HG2 VAL 15 6.475 -6.810 2.966 110 3HG2 VAL 15 3HG2 VAL 15 6.210 -7.376 4.613 111 H ILE 16 H ILE 16 2.168 -5.065 4.576 112 HA ILE 16 HA ILE 16 2.170 -2.317 4.956 113 HB ILE 16 HB ILE 16 -0.182 -4.216 5.139 114 1HG1 ILE 16 2HG1 ILE 16 0.559 -2.537 2.754 115 2HG1 ILE 16 3HG1 ILE 16 1.373 -4.081 3.017 116 1HG2 ILE 16 1HG2 ILE 16 -0.019 -1.215 4.732 117 2HG2 ILE 16 2HG2 ILE 16 -1.470 -2.168 4.425 118 3HG2 ILE 16 3HG2 ILE 16 -0.812 -2.068 6.058 119 1HD1 ILE 16 1HD1 ILE 16 -0.801 -4.061 1.583 120 2HD1 ILE 16 2HD1 ILE 16 -0.620 -5.312 2.809 121 3HD1 ILE 16 3HD1 ILE 16 -1.631 -3.904 3.132 122 H GLU 17 H GLU 17 0.724 -4.750 7.131 123 HA GLU 17 HA GLU 17 -0.088 -3.108 9.200 124 1HB GLU 17 2HB GLU 17 0.913 -5.945 9.123 125 2HB GLU 17 3HB GLU 17 0.482 -5.190 10.657 126 1HG GLU 17 2HG GLU 17 -1.764 -5.040 10.115 127 2HG GLU 17 3HG GLU 17 -1.452 -4.959 8.383 128 H ARG 18 H ARG 18 3.138 -4.267 8.440 129 HA ARG 18 HA ARG 18 4.385 -3.569 10.886 130 1HB ARG 18 2HB ARG 18 5.291 -5.084 9.050 131 2HB ARG 18 3HB ARG 18 5.735 -3.612 8.187 132 1HG ARG 18 2HG ARG 18 7.054 -2.875 10.158 133 2HG ARG 18 3HG ARG 18 6.646 -4.383 10.974 134 1HD ARG 18 2HD ARG 18 7.872 -5.687 9.406 135 2HD ARG 18 3HD ARG 18 7.986 -4.348 8.269 136 HE ARG 18 HE ARG 18 9.943 -3.802 9.356 137 1HH1 ARG 18 1HH1 ARG 18 7.941 -5.603 11.535 138 2HH1 ARG 18 2HH1 ARG 18 8.922 -5.271 12.921 139 1HH2 ARG 18 1HH2 ARG 18 11.125 -3.220 11.213 140 2HH2 ARG 18 2HH2 ARG 18 10.719 -3.928 12.740 141 H LEU 19 H LEU 19 4.424 -1.865 7.736 142 HA LEU 19 HA LEU 19 5.640 0.492 8.846 143 1HB LEU 19 2HB LEU 19 4.421 -0.195 6.176 144 2HB LEU 19 3HB LEU 19 4.963 1.441 6.546 145 HG LEU 19 HG LEU 19 6.837 -0.823 7.115 146 1HD1 LEU 19 1HD1 LEU 19 7.678 -0.482 4.703 147 2HD1 LEU 19 2HD1 LEU 19 6.222 -1.455 4.908 148 3HD1 LEU 19 3HD1 LEU 19 6.092 0.222 4.377 149 1HD2 LEU 19 1HD2 LEU 19 7.321 1.912 5.902 150 2HD2 LEU 19 2HD2 LEU 19 7.246 1.644 7.644 151 3HD2 LEU 19 3HD2 LEU 19 8.497 0.854 6.682 152 H ARG 20 H ARG 20 2.386 -0.612 8.395 153 HA ARG 20 HA ARG 20 0.779 1.507 8.102 154 1HB ARG 20 2HB ARG 20 -0.311 -0.508 8.521 155 2HB ARG 20 3HB ARG 20 0.576 -0.798 10.014 156 1HG ARG 20 2HG ARG 20 -0.730 0.700 11.240 157 2HG ARG 20 3HG ARG 20 -1.213 1.607 9.804 158 1HD ARG 20 2HD ARG 20 -3.111 0.299 10.575 159 2HD ARG 20 3HD ARG 20 -2.539 -0.375 9.053 160 HE ARG 20 HE ARG 20 -1.288 -2.026 10.569 161 1HH1 ARG 20 1HH1 ARG 20 -2.979 -0.441 12.809 162 2HH1 ARG 20 2HH1 ARG 20 -4.081 -1.705 13.242 163 1HH2 ARG 20 1HH2 ARG 20 -3.280 -3.697 10.520 164 2HH2 ARG 20 2HH2 ARG 20 -4.247 -3.550 11.950 165 HA PRO 21 HA PRO 21 1.090 2.809 12.878 166 1HB PRO 21 2HB PRO 21 3.851 2.287 13.519 167 2HB PRO 21 3HB PRO 21 2.403 1.657 14.316 168 1HG PRO 21 2HG PRO 21 4.154 0.384 12.368 169 2HG PRO 21 3HG PRO 21 2.990 -0.342 13.481 170 1HD PRO 21 2HD PRO 21 2.604 -0.241 10.778 171 2HD PRO 21 3HD PRO 21 1.269 -0.261 11.949 172 H PHE 22 H PHE 22 3.833 2.853 10.635 173 HA PHE 22 HA PHE 22 4.669 5.516 11.351 174 1HB PHE 22 2HB PHE 22 5.393 3.676 9.062 175 2HB PHE 22 3HB PHE 22 6.081 5.287 9.262 176 HD1 PHE 22 HD1 PHE 22 5.962 1.862 10.589 177 HD2 PHE 22 HD2 PHE 22 7.539 5.817 11.168 178 HE1 PHE 22 HE1 PHE 22 7.599 0.972 12.226 179 HE2 PHE 22 HE2 PHE 22 9.173 4.925 12.805 180 HZ PHE 22 HZ PHE 22 9.203 2.504 13.334 181 H LEU 23 H LEU 23 2.897 4.050 8.641 182 HA LEU 23 HA LEU 23 2.539 6.397 7.129 183 1HB LEU 23 2HB LEU 23 1.121 3.759 7.283 184 2HB LEU 23 3HB LEU 23 0.398 5.071 6.356 185 HG LEU 23 HG LEU 23 2.535 5.316 5.092 186 1HD1 LEU 23 1HD1 LEU 23 3.299 2.975 6.840 187 2HD1 LEU 23 2HD1 LEU 23 4.095 3.274 5.297 188 3HD1 LEU 23 3HD1 LEU 23 4.184 4.478 6.584 189 1HD2 LEU 23 1HD2 LEU 23 2.190 3.401 3.681 190 2HD2 LEU 23 2HD2 LEU 23 1.533 2.455 5.015 191 3HD2 LEU 23 3HD2 LEU 23 0.616 3.812 4.357 192 H LEU 24 H LEU 24 0.451 4.886 9.588 193 HA LEU 24 HA LEU 24 -1.698 6.653 9.469 194 1HB LEU 24 2HB LEU 24 -1.089 4.473 10.972 195 2HB LEU 24 3HB LEU 24 -0.933 5.753 12.175 196 HG LEU 24 HG LEU 24 -3.341 5.463 10.363 197 1HD1 LEU 24 1HD1 LEU 24 -2.698 4.266 13.045 198 2HD1 LEU 24 2HD1 LEU 24 -4.364 4.692 12.654 199 3HD1 LEU 24 3HD1 LEU 24 -3.497 3.523 11.659 200 1HD2 LEU 24 1HD2 LEU 24 -3.068 7.703 11.261 201 2HD2 LEU 24 2HD2 LEU 24 -4.366 6.911 12.154 202 3HD2 LEU 24 3HD2 LEU 24 -2.764 7.063 12.875 203 H ARG 25 H ARG 25 1.098 6.793 11.661 204 HA ARG 25 HA ARG 25 0.468 9.169 12.961 205 1HB ARG 25 2HB ARG 25 3.127 7.882 12.344 206 2HB ARG 25 3HB ARG 25 2.968 9.306 13.369 207 1HG ARG 25 2HG ARG 25 1.218 6.942 13.950 208 2HG ARG 25 3HG ARG 25 2.917 6.864 14.419 209 1HD ARG 25 2HD ARG 25 1.120 9.185 15.146 210 2HD ARG 25 3HD ARG 25 1.342 7.782 16.187 211 HE ARG 25 HE ARG 25 3.874 8.467 15.844 212 1HH1 ARG 25 1HH1 ARG 25 2.578 11.165 14.857 213 2HH1 ARG 25 2HH1 ARG 25 2.810 12.134 16.274 214 1HH2 ARG 25 1HH2 ARG 25 3.545 9.434 18.325 215 2HH2 ARG 25 2HH2 ARG 25 3.354 11.154 18.238 216 H ASP 26 H ASP 26 2.245 8.729 9.901 217 HA ASP 26 HA ASP 26 2.586 11.645 9.699 218 1HB ASP 26 2HB ASP 26 4.504 10.063 9.288 219 2HB ASP 26 3HB ASP 26 3.659 9.506 7.849 220 H GLY 27 H GLY 27 1.519 8.993 7.517 221 1HA GLY 27 1HA GLY 27 0.042 10.978 5.930 222 2HA GLY 27 2HA GLY 27 0.431 9.340 5.432 223 H GLY 28 H GLY 28 -0.742 7.563 6.548 224 1HA GLY 28 1HA GLY 28 -3.057 8.025 8.123 225 2HA GLY 28 2HA GLY 28 -3.514 7.889 6.427 226 H ASP 29 H ASP 29 -4.700 5.965 7.063 227 HA ASP 29 HA ASP 29 -2.988 3.615 7.604 228 1HB ASP 29 2HB ASP 29 -4.946 4.252 9.154 229 2HB ASP 29 3HB ASP 29 -5.990 3.692 7.853 230 H CYS 30 H CYS 30 -2.981 1.889 6.234 231 HA CYS 30 HA CYS 30 -4.447 2.210 3.685 232 1HB CYS 30 2HB CYS 30 -2.130 2.173 3.210 233 2HB CYS 30 3HB CYS 30 -1.824 0.890 4.380 234 HG CYS 30 HG CYS 30 -2.712 -0.841 2.756 235 H THR 31 H THR 31 -5.312 0.271 2.687 236 HA THR 31 HA THR 31 -5.605 -2.094 4.380 237 HB THR 31 HB THR 31 -8.091 -0.736 3.332 238 HG1 THR 31 HG1 THR 31 -7.032 0.597 4.877 239 1HG2 THR 31 1HG2 THR 31 -9.120 -2.189 5.108 240 2HG2 THR 31 2HG2 THR 31 -8.344 -3.092 3.809 241 3HG2 THR 31 3HG2 THR 31 -7.532 -2.910 5.365 242 H LEU 32 H LEU 32 -5.232 -3.772 3.097 243 HA LEU 32 HA LEU 32 -5.274 -3.592 0.244 244 1HB LEU 32 2HB LEU 32 -3.860 -5.157 1.754 245 2HB LEU 32 3HB LEU 32 -5.295 -6.182 1.789 246 HG LEU 32 HG LEU 32 -5.202 -5.796 -0.848 247 1HD1 LEU 32 1HD1 LEU 32 -2.781 -5.821 -1.559 248 2HD1 LEU 32 2HD1 LEU 32 -3.319 -4.283 -0.880 249 3HD1 LEU 32 3HD1 LEU 32 -2.351 -5.389 0.095 250 1HD2 LEU 32 1HD2 LEU 32 -3.608 -7.725 0.844 251 2HD2 LEU 32 2HD2 LEU 32 -5.126 -8.009 -0.006 252 3HD2 LEU 32 3HD2 LEU 32 -3.623 -7.849 -0.915 253 H VAL 33 H VAL 33 -7.107 -3.464 -0.891 254 HA VAL 33 HA VAL 33 -9.613 -4.448 0.148 255 HB VAL 33 HB VAL 33 -8.859 -3.169 -2.485 256 1HG1 VAL 33 1HG1 VAL 33 -11.485 -4.246 -1.466 257 2HG1 VAL 33 2HG1 VAL 33 -11.439 -2.905 -2.611 258 3HG1 VAL 33 3HG1 VAL 33 -10.747 -4.466 -3.052 259 1HG2 VAL 33 1HG2 VAL 33 -10.217 -1.291 -1.523 260 2HG2 VAL 33 2HG2 VAL 33 -10.346 -2.207 -0.021 261 3HG2 VAL 33 3HG2 VAL 33 -8.769 -1.651 -0.583 262 H ASP 34 H ASP 34 -7.456 -5.347 -2.556 263 HA ASP 34 HA ASP 34 -8.241 -8.101 -2.357 264 1HB ASP 34 2HB ASP 34 -10.147 -6.854 -3.629 265 2HB ASP 34 3HB ASP 34 -9.003 -6.820 -4.968 266 H VAL 35 H VAL 35 -6.827 -9.442 -3.396 267 HA VAL 35 HA VAL 35 -4.624 -8.125 -4.859 268 HB VAL 35 HB VAL 35 -4.061 -9.264 -2.669 269 1HG1 VAL 35 1HG1 VAL 35 -4.229 -11.578 -2.415 270 2HG1 VAL 35 2HG1 VAL 35 -5.715 -11.213 -3.291 271 3HG1 VAL 35 3HG1 VAL 35 -4.321 -11.864 -4.153 272 1HG2 VAL 35 1HG2 VAL 35 -2.217 -10.730 -3.900 273 2HG2 VAL 35 2HG2 VAL 35 -2.849 -9.913 -5.330 274 3HG2 VAL 35 3HG2 VAL 35 -2.184 -8.971 -3.997 275 H GLU 36 H GLU 36 -4.361 -8.622 -6.938 276 HA GLU 36 HA GLU 36 -5.150 -11.222 -7.976 277 1HB GLU 36 2HB GLU 36 -7.181 -9.597 -8.044 278 2HB GLU 36 3HB GLU 36 -6.301 -8.808 -9.353 279 1HG GLU 36 2HG GLU 36 -6.082 -11.115 -10.420 280 2HG GLU 36 3HG GLU 36 -7.257 -11.675 -9.234 281 H ASP 37 H ASP 37 -3.114 -11.642 -8.664 282 HA ASP 37 HA ASP 37 -1.184 -11.515 -9.899 283 1HB ASP 37 2HB ASP 37 -3.026 -10.042 -11.800 284 2HB ASP 37 3HB ASP 37 -1.460 -10.735 -12.220 285 H GLY 38 H GLY 38 -2.408 -8.460 -11.151 286 1HA GLY 38 1HA GLY 38 -0.327 -7.009 -9.623 287 2HA GLY 38 2HA GLY 38 -0.558 -6.738 -11.346 288 H ILE 39 H ILE 39 -3.587 -7.246 -10.560 289 HA ILE 39 HA ILE 39 -4.210 -4.421 -10.296 290 HB ILE 39 HB ILE 39 -6.133 -6.758 -10.440 291 1HG1 ILE 39 2HG1 ILE 39 -6.166 -5.630 -12.918 292 2HG1 ILE 39 3HG1 ILE 39 -4.467 -5.418 -12.500 293 1HG2 ILE 39 1HG2 ILE 39 -7.624 -4.954 -11.397 294 2HG2 ILE 39 2HG2 ILE 39 -7.212 -4.717 -9.700 295 3HG2 ILE 39 3HG2 ILE 39 -6.392 -3.776 -10.944 296 1HD1 ILE 39 1HD1 ILE 39 -4.654 -7.942 -11.748 297 2HD1 ILE 39 2HD1 ILE 39 -6.034 -7.955 -12.842 298 3HD1 ILE 39 3HD1 ILE 39 -4.430 -7.543 -13.449 299 H VAL 40 H VAL 40 -2.994 -4.752 -8.095 300 HA VAL 40 HA VAL 40 -4.642 -5.809 -5.961 301 HB VAL 40 HB VAL 40 -1.916 -4.619 -6.196 302 1HG1 VAL 40 1HG1 VAL 40 -3.617 -4.578 -3.692 303 2HG1 VAL 40 2HG1 VAL 40 -1.856 -4.628 -3.623 304 3HG1 VAL 40 3HG1 VAL 40 -2.668 -3.262 -4.384 305 1HG2 VAL 40 1HG2 VAL 40 -2.834 -6.873 -4.426 306 2HG2 VAL 40 2HG2 VAL 40 -2.669 -7.126 -6.164 307 3HG2 VAL 40 3HG2 VAL 40 -1.269 -6.646 -5.204 308 H LYS 41 H LYS 41 -6.368 -4.729 -5.329 309 HA LYS 41 HA LYS 41 -6.497 -1.821 -5.519 310 1HB LYS 41 2HB LYS 41 -8.546 -3.842 -4.572 311 2HB LYS 41 3HB LYS 41 -8.844 -2.125 -4.826 312 1HG LYS 41 2HG LYS 41 -8.264 -2.360 -7.208 313 2HG LYS 41 3HG LYS 41 -7.923 -4.073 -6.966 314 1HD LYS 41 2HD LYS 41 -10.275 -4.436 -6.279 315 2HD LYS 41 3HD LYS 41 -10.611 -2.725 -6.553 316 1HE LYS 41 2HE LYS 41 -11.311 -3.865 -8.543 317 2HE LYS 41 3HE LYS 41 -9.790 -3.067 -8.941 318 1HZ LYS 41 1HZ LYS 41 -9.878 -5.381 -9.705 319 1HZ LYS 41 1HZ LYS 41 -10.045 -5.903 -8.096 320 3HZ LYS 41 3HZ LYS 41 -8.622 -5.123 -8.596 321 H LEU 42 H LEU 42 -6.124 -0.484 -3.833 322 HA LEU 42 HA LEU 42 -6.300 -1.567 -1.105 323 1HB LEU 42 2HB LEU 42 -4.150 -0.799 -0.463 324 2HB LEU 42 3HB LEU 42 -3.908 -1.664 -1.979 325 HG LEU 42 HG LEU 42 -4.398 0.858 -2.909 326 1HD1 LEU 42 1HD1 LEU 42 -4.485 1.761 -0.599 327 2HD1 LEU 42 2HD1 LEU 42 -2.848 1.171 -0.321 328 3HD1 LEU 42 3HD1 LEU 42 -3.140 2.437 -1.513 329 1HD2 LEU 42 1HD2 LEU 42 -1.935 1.022 -3.183 330 2HD2 LEU 42 2HD2 LEU 42 -1.731 -0.289 -2.019 331 3HD2 LEU 42 3HD2 LEU 42 -2.527 -0.595 -3.565 332 H GLN 43 H GLN 43 -6.853 -0.102 0.464 333 HA GLN 43 HA GLN 43 -7.830 2.490 -0.525 334 1HB GLN 43 2HB GLN 43 -9.299 0.774 0.756 335 2HB GLN 43 3HB GLN 43 -8.437 1.336 2.187 336 1HG GLN 43 2HG GLN 43 -9.180 3.598 1.850 337 2HG GLN 43 3HG GLN 43 -9.819 3.213 0.254 338 1HE2 GLN 43 2HE2 GLN 43 -11.289 0.892 0.712 339 2HE2 GLN 43 1HE2 GLN 43 -12.524 1.199 1.835 340 H LEU 44 H LEU 44 -7.637 4.350 1.013 341 HA LEU 44 HA LEU 44 -5.360 4.233 2.848 342 1HB LEU 44 2HB LEU 44 -4.501 4.752 0.498 343 2HB LEU 44 3HB LEU 44 -5.367 6.278 0.636 344 HG LEU 44 HG LEU 44 -4.068 6.371 2.975 345 1HD1 LEU 44 1HD1 LEU 44 -1.743 5.493 2.604 346 2HD1 LEU 44 2HD1 LEU 44 -2.954 4.221 2.750 347 3HD1 LEU 44 3HD1 LEU 44 -2.331 4.666 1.161 348 1HD2 LEU 44 1HD2 LEU 44 -2.408 7.780 1.866 349 2HD2 LEU 44 2HD2 LEU 44 -2.752 7.013 0.315 350 3HD2 LEU 44 3HD2 LEU 44 -3.975 8.016 1.097 351 H HIS 45 H HIS 45 -6.538 4.877 4.583 352 HA HIS 45 HA HIS 45 -8.445 7.046 4.439 353 1HB HIS 45 2HB HIS 45 -7.298 5.744 6.918 354 2HB HIS 45 3HB HIS 45 -8.806 6.646 6.781 355 HD1 HIS 45 HD1 HIS 45 -10.855 5.408 5.906 356 HD2 HIS 45 HD2 HIS 45 -7.372 3.132 5.655 357 HE1 HIS 45 HE1 HIS 45 -11.574 3.063 5.282 358 H GLY 46 H GLY 46 -7.413 8.946 3.894 359 1HA GLY 46 1HA GLY 46 -4.921 9.779 5.021 360 2HA GLY 46 2HA GLY 46 -6.030 10.786 4.097 361 H ALA 47 H ALA 47 -5.730 9.245 7.297 362 HA ALA 47 HA ALA 47 -6.106 10.040 9.410 363 1HB ALA 47 1HB ALA 47 -5.030 12.162 8.318 364 2HB ALA 47 2HB ALA 47 -6.675 12.795 8.373 365 3HB ALA 47 3HB ALA 47 -5.869 12.304 9.862 366 H CYS 48 H CYS 48 -8.323 11.457 6.999 367 HA CYS 48 HA CYS 48 -10.610 10.257 8.248 368 1HB CYS 48 2HB CYS 48 -9.945 13.112 8.805 369 2HB CYS 48 3HB CYS 48 -11.633 12.704 8.521 370 HG CYS 48 HG CYS 48 -11.469 12.172 10.978 371 H GLY 49 H GLY 49 -9.327 10.454 5.611 372 1HA GLY 49 1HA GLY 49 -10.491 10.190 3.536 373 2HA GLY 49 2HA GLY 49 -11.686 11.358 4.087 374 H THR 50 H THR 50 -10.930 11.938 1.691 375 HA THR 50 HA THR 50 -8.605 13.147 0.975 376 HB THR 50 HB THR 50 -10.480 12.992 -0.564 377 HG1 THR 50 HG1 THR 50 -8.881 14.729 -0.742 378 1HG2 THR 50 1HG2 THR 50 -11.823 15.293 0.838 379 2HG2 THR 50 2HG2 THR 50 -12.505 14.156 -0.323 380 3HG2 THR 50 3HG2 THR 50 -12.154 13.631 1.323 381 H CYS 51 H CYS 51 -7.349 14.559 2.023 382 HA CYS 51 HA CYS 51 -8.168 17.164 2.702 383 1HB CYS 51 2HB CYS 51 -8.612 15.148 4.774 384 2HB CYS 51 3HB CYS 51 -7.594 16.483 5.319 385 HG CYS 51 HG CYS 51 -10.562 16.669 4.791 386 HA PRO 52 HA PRO 52 -3.787 16.353 4.823 387 1HB PRO 52 2HB PRO 52 -2.915 13.847 3.707 388 2HB PRO 52 3HB PRO 52 -3.110 14.279 5.411 389 1HG PRO 52 2HG PRO 52 -4.868 12.733 3.676 390 2HG PRO 52 3HG PRO 52 -4.833 12.845 5.440 391 1HD PRO 52 2HD PRO 52 -6.829 13.921 3.892 392 2HD PRO 52 3HD PRO 52 -6.382 14.547 5.495 393 H SER 53 H SER 53 -2.482 17.619 3.689 394 HA SER 53 HA SER 53 -2.483 17.585 0.795 395 1HB SER 53 2HB SER 53 -0.709 19.456 1.272 396 2HB SER 53 3HB SER 53 -2.410 19.756 1.621 397 HG SER 53 HG SER 53 -1.121 20.321 3.394 398 H SER 54 H SER 54 -0.559 16.265 3.334 399 HA SER 54 HA SER 54 1.845 16.000 1.725 400 1HB SER 54 2HB SER 54 2.763 14.863 3.681 401 2HB SER 54 3HB SER 54 1.990 16.371 4.156 402 HG SER 54 HG SER 54 1.450 14.465 5.440 403 H THR 55 H THR 55 -0.916 14.024 2.644 404 HA THR 55 HA THR 55 -0.051 11.453 2.215 405 HB THR 55 HB THR 55 -2.650 12.794 1.456 406 HG1 THR 55 HG1 THR 55 -1.689 12.106 3.692 407 1HG2 THR 55 1HG2 THR 55 -3.546 10.446 1.228 408 2HG2 THR 55 2HG2 THR 55 -2.456 10.931 -0.071 409 3HG2 THR 55 3HG2 THR 55 -1.878 9.873 1.216 410 H ILE 56 H ILE 56 -0.640 13.961 -0.160 411 HA ILE 56 HA ILE 56 -0.609 12.442 -2.517 412 HB ILE 56 HB ILE 56 0.500 15.237 -2.127 413 1HG1 ILE 56 2HG1 ILE 56 -2.327 14.490 -2.923 414 2HG1 ILE 56 3HG1 ILE 56 -1.878 14.779 -1.243 415 1HG2 ILE 56 1HG2 ILE 56 -0.325 13.571 -4.487 416 2HG2 ILE 56 2HG2 ILE 56 -0.543 15.320 -4.552 417 3HG2 ILE 56 3HG2 ILE 56 1.065 14.640 -4.307 418 1HD1 ILE 56 1HD1 ILE 56 -1.143 16.811 -3.332 419 2HD1 ILE 56 2HD1 ILE 56 -2.788 16.768 -2.702 420 3HD1 ILE 56 3HD1 ILE 56 -1.432 17.040 -1.607 421 H THR 57 H THR 57 2.041 13.911 -0.665 422 HA THR 57 HA THR 57 4.149 13.226 -2.418 423 HB THR 57 HB THR 57 4.268 13.549 0.594 424 HG1 THR 57 HG1 THR 57 3.768 15.526 0.184 425 1HG2 THR 57 1HG2 THR 57 6.287 12.597 -0.648 426 2HG2 THR 57 2HG2 THR 57 6.391 14.152 -1.474 427 3HG2 THR 57 3HG2 THR 57 6.578 14.068 0.278 428 H LEU 58 H LEU 58 2.945 11.609 0.530 429 HA LEU 58 HA LEU 58 4.701 9.409 0.448 430 1HB LEU 58 2HB LEU 58 2.064 9.965 1.744 431 2HB LEU 58 3HB LEU 58 2.637 8.298 1.695 432 HG LEU 58 HG LEU 58 4.725 8.937 2.793 433 1HD1 LEU 58 1HD1 LEU 58 3.607 11.719 2.438 434 2HD1 LEU 58 2HD1 LEU 58 4.787 11.373 3.702 435 3HD1 LEU 58 3HD1 LEU 58 5.207 11.112 2.009 436 1HD2 LEU 58 1HD2 LEU 58 2.424 10.240 4.277 437 2HD2 LEU 58 2HD2 LEU 58 2.616 8.493 4.141 438 3HD2 LEU 58 3HD2 LEU 58 3.840 9.452 4.973 439 H LYS 59 H LYS 59 1.411 9.796 -0.845 440 HA LYS 59 HA LYS 59 0.874 7.295 -1.819 441 1HB LYS 59 2HB LYS 59 -0.621 9.295 -1.989 442 2HB LYS 59 3HB LYS 59 0.360 9.861 -3.340 443 1HG LYS 59 2HG LYS 59 -0.162 7.840 -4.612 444 2HG LYS 59 3HG LYS 59 -1.061 7.182 -3.245 445 1HD LYS 59 2HD LYS 59 -2.789 8.775 -3.457 446 2HD LYS 59 3HD LYS 59 -1.797 9.853 -4.438 447 1HE LYS 59 2HE LYS 59 -2.481 7.086 -5.415 448 2HE LYS 59 3HE LYS 59 -3.605 8.426 -5.642 449 1HZ LYS 59 1HZ LYS 59 -2.199 8.262 -7.550 450 1HZ LYS 59 1HZ LYS 59 -0.796 8.279 -6.593 451 3HZ LYS 59 3HZ LYS 59 -1.772 9.666 -6.700 452 H ALA 60 H ALA 60 2.415 9.854 -3.782 453 HA ALA 60 HA ALA 60 3.173 8.186 -5.912 454 1HB ALA 60 1HB ALA 60 4.295 10.811 -4.922 455 2HB ALA 60 2HB ALA 60 4.836 10.031 -6.408 456 3HB ALA 60 3HB ALA 60 3.158 10.554 -6.245 457 H GLY 61 H GLY 61 4.576 8.693 -2.779 458 1HA GLY 61 1HA GLY 61 7.226 7.824 -3.324 459 2HA GLY 61 2HA GLY 61 6.449 7.837 -1.744 460 H ILE 62 H ILE 62 4.537 6.083 -1.725 461 HA ILE 62 HA ILE 62 5.823 3.562 -1.797 462 HB ILE 62 HB ILE 62 3.040 3.084 -1.820 463 1HG1 ILE 62 2HG1 ILE 62 3.761 5.522 -0.148 464 2HG1 ILE 62 3HG1 ILE 62 2.728 5.543 -1.578 465 1HG2 ILE 62 1HG2 ILE 62 4.919 2.071 -0.436 466 2HG2 ILE 62 2HG2 ILE 62 4.816 3.495 0.600 467 3HG2 ILE 62 3HG2 ILE 62 3.433 2.413 0.450 468 1HD1 ILE 62 1HD1 ILE 62 2.199 4.231 1.089 469 2HD1 ILE 62 2HD1 ILE 62 1.227 5.442 0.256 470 3HD1 ILE 62 3HD1 ILE 62 1.293 3.791 -0.360 471 H GLU 63 H GLU 63 3.258 4.944 -3.858 472 HA GLU 63 HA GLU 63 2.789 2.903 -5.611 473 1HB GLU 63 2HB GLU 63 1.702 5.130 -5.730 474 2HB GLU 63 3HB GLU 63 3.189 5.799 -6.408 475 1HG GLU 63 2HG GLU 63 3.035 4.309 -8.335 476 2HG GLU 63 3HG GLU 63 1.632 3.506 -7.640 477 H ARG 64 H ARG 64 5.381 5.330 -5.957 478 HA ARG 64 HA ARG 64 6.602 4.328 -8.242 479 1HB ARG 64 2HB ARG 64 7.122 6.489 -7.009 480 2HB ARG 64 3HB ARG 64 8.104 5.524 -5.907 481 1HG ARG 64 2HG ARG 64 9.272 4.629 -8.032 482 2HG ARG 64 3HG ARG 64 8.506 5.982 -8.865 483 1HD ARG 64 2HD ARG 64 10.503 6.971 -8.239 484 2HD ARG 64 3HD ARG 64 9.504 7.371 -6.845 485 HE ARG 64 HE ARG 64 10.905 4.861 -6.560 486 1HH1 ARG 64 1HH2 ARG 64 10.244 7.144 -4.520 487 2HH1 ARG 64 2HH2 ARG 64 11.847 7.619 -4.069 488 1HH2 ARG 64 1HH1 ARG 64 13.363 5.974 -6.718 489 2HH2 ARG 64 2HH1 ARG 64 13.612 6.954 -5.312 490 H ALA 65 H ALA 65 7.547 3.677 -4.857 491 HA ALA 65 HA ALA 65 9.515 1.769 -5.359 492 1HB ALA 65 1HB ALA 65 8.665 2.907 -3.127 493 2HB ALA 65 2HB ALA 65 7.703 1.433 -2.999 494 3HB ALA 65 3HB ALA 65 9.463 1.335 -3.086 495 H LEU 66 H LEU 66 6.058 1.251 -4.669 496 HA LEU 66 HA LEU 66 6.043 -1.545 -4.944 497 1HB LEU 66 2HB LEU 66 3.870 0.509 -5.424 498 2HB LEU 66 3HB LEU 66 3.587 -1.232 -5.387 499 HG LEU 66 HG LEU 66 4.853 0.324 -3.110 500 1HD1 LEU 66 1HD1 LEU 66 2.639 -0.010 -1.990 501 2HD1 LEU 66 2HD1 LEU 66 2.555 1.068 -3.381 502 3HD1 LEU 66 3HD1 LEU 66 1.994 -0.599 -3.522 503 1HD2 LEU 66 1HD2 LEU 66 4.185 -2.532 -3.640 504 2HD2 LEU 66 2HD2 LEU 66 5.480 -1.843 -2.659 505 3HD2 LEU 66 3HD2 LEU 66 3.841 -1.930 -2.018 506 H HIS 67 H HIS 67 5.084 0.944 -7.316 507 HA HIS 67 HA HIS 67 4.580 -0.664 -9.508 508 1HB HIS 67 2HB HIS 67 5.571 2.145 -9.187 509 2HB HIS 67 3HB HIS 67 5.561 1.425 -10.797 510 HD1 HIS 67 HD1 HIS 67 3.519 2.318 -11.922 511 HD2 HIS 67 HD2 HIS 67 2.726 1.159 -7.999 512 HE1 HIS 67 HE1 HIS 67 1.026 2.603 -11.582 513 H GLU 68 H GLU 68 7.686 0.586 -8.348 514 HA GLU 68 HA GLU 68 9.265 -0.289 -10.514 515 1HB GLU 68 2HB GLU 68 9.832 1.292 -8.501 516 2HB GLU 68 3HB GLU 68 10.350 -0.203 -7.719 517 1HG GLU 68 2HG GLU 68 11.760 -0.679 -9.761 518 2HG GLU 68 3HG GLU 68 11.362 0.939 -10.339 519 H GLU 69 H GLU 69 8.841 -1.801 -7.283 520 HA GLU 69 HA GLU 69 10.055 -4.250 -8.243 521 1HB GLU 69 2HB GLU 69 8.884 -3.417 -5.578 522 2HB GLU 69 3HB GLU 69 9.540 -5.024 -5.889 523 1HG GLU 69 2HG GLU 69 11.690 -3.921 -6.611 524 2HG GLU 69 3HG GLU 69 11.021 -2.387 -6.064 525 H VAL 70 H VAL 70 7.752 -5.099 -6.071 526 HA VAL 70 HA VAL 70 6.047 -6.666 -6.328 527 HB VAL 70 HB VAL 70 4.854 -4.404 -7.942 528 1HG1 VAL 70 1HG1 VAL 70 2.777 -5.236 -7.240 529 2HG1 VAL 70 2HG1 VAL 70 3.692 -6.724 -7.480 530 3HG1 VAL 70 3HG1 VAL 70 3.473 -6.076 -5.854 531 1HG2 VAL 70 1HG2 VAL 70 6.045 -3.644 -5.821 532 2HG2 VAL 70 2HG2 VAL 70 4.318 -3.295 -5.875 533 3HG2 VAL 70 3HG2 VAL 70 4.914 -4.652 -4.921 534 HA PRO 71 HA PRO 71 7.648 -7.613 -10.770 535 1HB PRO 71 2HB PRO 71 7.912 -10.309 -9.776 536 2HB PRO 71 3HB PRO 71 9.190 -9.205 -10.307 537 1HG PRO 71 2HG PRO 71 8.280 -9.844 -7.597 538 2HG PRO 71 3HG PRO 71 9.820 -9.164 -8.144 539 1HD PRO 71 2HD PRO 71 7.977 -7.685 -6.798 540 2HD PRO 71 3HD PRO 71 9.055 -6.977 -8.026 541 H GLY 72 H GLY 72 5.821 -7.619 -11.954 542 1HA GLY 72 1HA GLY 72 4.269 -9.222 -13.036 543 2HA GLY 72 2HA GLY 72 3.792 -9.710 -11.413 544 H VAL 73 H VAL 73 4.258 -6.578 -10.969 545 HA VAL 73 HA VAL 73 1.497 -5.909 -10.901 546 HB VAL 73 HB VAL 73 3.324 -4.942 -9.431 547 1HG1 VAL 73 1HG1 VAL 73 4.695 -4.409 -11.636 548 2HG1 VAL 73 2HG1 VAL 73 3.769 -2.908 -11.589 549 3HG1 VAL 73 3HG1 VAL 73 4.810 -3.348 -10.234 550 1HG2 VAL 73 1HG2 VAL 73 2.065 -3.024 -9.041 551 2HG2 VAL 73 2HG2 VAL 73 1.836 -2.699 -10.759 552 3HG2 VAL 73 3HG2 VAL 73 0.917 -3.984 -9.974 553 H ILE 74 H ILE 74 0.306 -4.484 -12.117 554 HA ILE 74 HA ILE 74 1.467 -3.549 -14.651 555 HB ILE 74 HB ILE 74 -1.261 -4.612 -14.920 556 1HG1 ILE 74 2HG1 ILE 74 1.082 -6.459 -14.356 557 2HG1 ILE 74 3HG1 ILE 74 -0.426 -6.358 -13.450 558 1HG2 ILE 74 1HG2 ILE 74 -0.372 -5.376 -17.039 559 2HG2 ILE 74 2HG2 ILE 74 0.236 -3.745 -16.752 560 3HG2 ILE 74 3HG2 ILE 74 1.284 -5.138 -16.481 561 1HD1 ILE 74 1HD1 ILE 74 -1.562 -6.914 -15.729 562 2HD1 ILE 74 2HD1 ILE 74 0.043 -7.465 -16.210 563 3HD1 ILE 74 3HD1 ILE 74 -0.774 -8.219 -14.842 564 H GLU 75 H GLU 75 -1.083 -3.373 -12.229 565 HA GLU 75 HA GLU 75 -1.356 -0.541 -12.592 566 1HB GLU 75 2HB GLU 75 -2.752 -1.793 -14.471 567 2HB GLU 75 3HB GLU 75 -3.918 -1.982 -13.166 568 1HG GLU 75 2HG GLU 75 -2.749 0.629 -14.175 569 2HG GLU 75 3HG GLU 75 -4.403 0.066 -14.397 570 H VAL 76 H VAL 76 -1.294 -0.079 -10.458 571 HA VAL 76 HA VAL 76 -2.760 -1.711 -8.522 572 HB VAL 76 HB VAL 76 -0.412 -0.772 -8.124 573 1HG1 VAL 76 1HG1 VAL 76 -0.216 1.541 -7.458 574 2HG1 VAL 76 2HG1 VAL 76 -1.012 1.516 -9.032 575 3HG1 VAL 76 3HG1 VAL 76 -1.959 1.778 -7.567 576 1HG2 VAL 76 1HG2 VAL 76 -0.798 -0.626 -5.804 577 2HG2 VAL 76 2HG2 VAL 76 -2.359 0.166 -6.016 578 3HG2 VAL 76 3HG2 VAL 76 -2.185 -1.553 -6.368 579 H GLU 77 H GLU 77 -3.998 -0.395 -6.769 580 HA GLU 77 HA GLU 77 -5.365 1.931 -7.923 581 1HB GLU 77 2HB GLU 77 -6.602 -0.715 -7.389 582 2HB GLU 77 3HB GLU 77 -7.525 0.706 -6.900 583 1HG GLU 77 2HG GLU 77 -6.275 0.575 -9.639 584 2HG GLU 77 3HG GLU 77 -7.819 -0.210 -9.333 585 H GLN 78 H GLN 78 -5.246 3.476 -6.500 586 HA GLN 78 HA GLN 78 -5.334 2.820 -3.618 587 1HB GLN 78 2HB GLN 78 -3.209 3.852 -4.442 588 2HB GLN 78 3HB GLN 78 -4.134 5.265 -4.946 589 1HG GLN 78 2HG GLN 78 -4.431 4.300 -2.124 590 2HG GLN 78 3HG GLN 78 -2.968 5.178 -2.558 591 1HE2 GLN 78 2HE2 GLN 78 -5.709 5.828 -1.045 592 2HE2 GLN 78 1HE2 GLN 78 -6.076 7.371 -1.649 593 H VAL 79 H VAL 79 -7.606 2.859 -3.509 594 HA VAL 79 HA VAL 79 -8.966 5.333 -4.292 595 HB VAL 79 HB VAL 79 -11.027 4.089 -3.559 596 1HG1 VAL 79 1HG1 VAL 79 -10.824 2.372 -5.451 597 2HG1 VAL 79 2HG1 VAL 79 -10.509 4.051 -5.887 598 3HG1 VAL 79 3HG1 VAL 79 -9.164 2.935 -5.646 599 1HG2 VAL 79 1HG2 VAL 79 -9.224 1.664 -3.435 600 2HG2 VAL 79 2HG2 VAL 79 -9.635 2.580 -1.984 601 3HG2 VAL 79 3HG2 VAL 79 -10.907 1.802 -2.928 602 H PHE 80 H PHE 80 -10.248 6.550 -2.837 603 HA PHE 80 HA PHE 80 -9.137 6.622 -0.117 604 1HB PHE 80 2HB PHE 80 -10.719 8.597 -1.771 605 2HB PHE 80 3HB PHE 80 -10.445 8.825 -0.044 606 HD1 PHE 80 HD1 PHE 80 -9.161 9.525 -3.246 607 HD2 PHE 80 HD2 PHE 80 -7.913 8.438 0.718 608 HE1 PHE 80 HE1 PHE 80 -6.900 10.434 -3.705 609 HE2 PHE 80 HE2 PHE 80 -5.656 9.347 0.258 610 HZ PHE 80 HZ PHE 80 -5.148 10.345 -1.953 611 H LEU 81 H LEU 81 -10.957 7.553 1.481 612 HA LEU 81 HA LEU 81 -12.819 5.402 1.803 613 1HB LEU 81 2HB LEU 81 -11.778 6.645 3.709 614 2HB LEU 81 3HB LEU 81 -12.746 8.053 3.267 615 HG LEU 81 HG LEU 81 -14.690 6.166 3.340 616 1HD1 LEU 81 1HD1 LEU 81 -12.882 4.509 4.107 617 2HD1 LEU 81 2HD1 LEU 81 -12.886 5.390 5.635 618 3HD1 LEU 81 3HD1 LEU 81 -14.351 4.586 5.077 619 1HD2 LEU 81 1HD2 LEU 81 -15.087 8.102 4.558 620 2HD2 LEU 81 2HD2 LEU 81 -14.872 6.936 5.862 621 3HD2 LEU 81 3HD2 LEU 81 -13.546 8.009 5.411 622 H GLU 82 H GLU 82 -13.827 5.667 -0.336 623 HA GLU 82 HA GLU 82 -15.334 7.839 -1.192 624 1HB GLU 82 2HB GLU 82 -16.753 6.053 -2.354 625 2HB GLU 82 3HB GLU 82 -15.026 6.047 -2.715 626 1HG GLU 82 2HG GLU 82 -14.628 4.211 -1.226 627 2HG GLU 82 3HG GLU 82 -16.238 4.342 -0.524 628 H HIS 83 H HIS 83 -17.686 8.095 -1.214 629 HA HIS 83 HA HIS 83 -18.759 7.975 1.439 630 1HB HIS 83 2HB HIS 83 -20.025 8.770 -1.195 631 2HB HIS 83 3HB HIS 83 -20.768 8.995 0.390 632 HD1 HIS 83 HD1 HIS 83 -20.630 11.513 0.636 633 HD2 HIS 83 HD2 HIS 83 -16.968 9.834 -0.440 634 HE1 HIS 83 HE1 HIS 83 -18.908 13.362 0.824 635 H HIS 84 H HIS 84 -19.884 6.581 -1.653 636 HA HIS 84 HA HIS 84 -21.084 4.694 -2.141 637 1HB HIS 84 2HB HIS 84 -19.170 3.637 -0.853 638 2HB HIS 84 3HB HIS 84 -20.230 3.629 0.558 639 HD1 HIS 84 HD1 HIS 84 -21.774 1.666 0.757 640 HD2 HIS 84 HD2 HIS 84 -20.401 2.158 -3.150 641 HE1 HIS 84 HE1 HIS 84 -22.657 -0.305 -0.568 642 H HIS 85 H HIS 85 -23.181 4.052 -1.980 643 HA HIS 85 HA HIS 85 -24.692 4.254 0.459 644 1HB HIS 85 2HB HIS 85 -26.296 5.974 -0.534 645 2HB HIS 85 3HB HIS 85 -24.742 6.592 0.024 646 HD1 HIS 85 HD1 HIS 85 -26.900 6.551 -2.890 647 HD2 HIS 85 HD2 HIS 85 -22.787 6.809 -2.256 648 HE1 HIS 85 HE1 HIS 85 -25.896 7.435 -5.041 649 H HIS 86 H HIS 86 -26.444 2.978 0.372 650 HA HIS 86 HA HIS 86 -27.173 1.830 -2.254 651 1HB HIS 86 2HB HIS 86 -27.924 -0.154 -0.911 652 2HB HIS 86 3HB HIS 86 -26.189 0.150 -0.840 653 HD1 HIS 86 HD1 HIS 86 -25.404 1.628 1.338 654 HD2 HIS 86 HD2 HIS 86 -29.130 -0.226 1.587 655 HE1 HIS 86 HE1 HIS 86 -26.030 1.605 3.794 656 H HIS 87 H HIS 87 -28.697 3.516 -2.615 657 HA HIS 87 HA HIS 87 -30.841 4.118 -0.849 658 1HB HIS 87 2HB HIS 87 -31.842 5.220 -2.800 659 2HB HIS 87 3HB HIS 87 -30.128 5.614 -2.682 660 HD1 HIS 87 HD1 HIS 87 -28.764 3.274 -3.975 661 HD2 HIS 87 HD2 HIS 87 -32.303 4.863 -5.501 662 HE1 HIS 87 HE1 HIS 87 -28.878 2.564 -6.402 663 H HIS 88 H HIS 88 -33.111 3.910 -2.447 664 HA HIS 88 HA HIS 88 -33.780 1.111 -2.066 665 1HB HIS 88 2HB HIS 88 -35.283 3.070 -1.440 666 2HB HIS 88 3HB HIS 88 -35.555 3.302 -3.165 667 HD1 HIS 88 HD1 HIS 88 -35.126 -0.230 -2.337 668 HD2 HIS 88 HD2 HIS 88 -38.317 2.452 -2.418 669 HE1 HIS 88 HE1 HIS 88 -37.236 -1.627 -2.323 Start of MODEL 4 1 1H MET 1 1HT MET 1 6.727 -26.348 -9.496 2 2H MET 1 2HT MET 1 5.497 -25.192 -9.690 3 3H MET 1 3HT MET 1 5.138 -26.848 -9.814 4 HA MET 1 HA MET 1 4.728 -26.973 -7.659 5 1HB MET 1 2HB MET 1 7.554 -25.918 -7.546 6 2HB MET 1 3HB MET 1 6.633 -26.196 -6.069 7 1HG MET 1 2HG MET 1 6.565 -28.497 -6.379 8 2HG MET 1 3HG MET 1 6.734 -28.371 -8.131 9 1HE MET 1 1HE MET 1 9.827 -30.225 -6.157 10 2HE MET 1 2HE MET 1 8.259 -30.532 -6.900 11 3HE MET 1 3HE MET 1 8.340 -29.794 -5.303 12 HA PRO 2 HA PRO 2 3.613 -22.459 -7.589 13 1HB PRO 2 2HB PRO 2 0.825 -23.194 -7.733 14 2HB PRO 2 3HB PRO 2 1.797 -22.333 -8.933 15 1HG PRO 2 2HG PRO 2 0.773 -24.885 -9.212 16 2HG PRO 2 3HG PRO 2 2.073 -24.176 -10.181 17 1HD PRO 2 2HD PRO 2 2.249 -26.142 -7.948 18 2HD PRO 2 3HD PRO 2 3.324 -25.917 -9.346 19 H THR 3 H THR 3 0.861 -24.284 -6.356 20 HA THR 3 HA THR 3 -0.070 -24.495 -4.274 21 HB THR 3 HB THR 3 2.516 -23.926 -2.892 22 HG1 THR 3 HG1 THR 3 3.187 -25.132 -4.657 23 1HG2 THR 3 1HG2 THR 3 0.704 -26.309 -2.575 24 2HG2 THR 3 2HG2 THR 3 1.738 -25.535 -1.373 25 3HG2 THR 3 3HG2 THR 3 0.249 -24.748 -1.896 26 H GLU 4 H GLU 4 -0.963 -23.210 -2.647 27 HA GLU 4 HA GLU 4 -1.206 -20.485 -3.075 28 1HB GLU 4 2HB GLU 4 -1.814 -20.430 -0.549 29 2HB GLU 4 3HB GLU 4 -2.807 -21.407 -1.628 30 1HG GLU 4 2HG GLU 4 -1.686 -23.430 -0.963 31 2HG GLU 4 3HG GLU 4 -0.459 -22.527 -0.080 32 H ASN 5 H ASN 5 1.105 -22.189 -0.976 33 HA ASN 5 HA ASN 5 2.941 -21.405 0.210 34 1HB ASN 5 2HB ASN 5 4.577 -20.499 -1.273 35 2HB ASN 5 3HB ASN 5 3.540 -21.497 -2.271 36 1HD2 ASN 5 2HD2 ASN 5 3.392 -20.451 -4.259 37 2HD2 ASN 5 1HD2 ASN 5 3.036 -18.802 -4.457 38 HA PRO 6 HA PRO 6 2.451 -17.334 1.931 39 1HB PRO 6 2HB PRO 6 4.748 -15.848 1.001 40 2HB PRO 6 3HB PRO 6 4.499 -16.594 2.586 41 1HG PRO 6 2HG PRO 6 6.303 -17.413 0.631 42 2HG PRO 6 3HG PRO 6 5.823 -18.319 2.070 43 1HD PRO 6 2HD PRO 6 5.047 -18.739 -0.740 44 2HD PRO 6 3HD PRO 6 4.978 -19.870 0.628 45 H THR 7 H THR 7 0.660 -17.033 0.488 46 HA THR 7 HA THR 7 0.807 -15.860 -2.058 47 HB THR 7 HB THR 7 -1.571 -15.401 -0.297 48 HG1 THR 7 HG1 THR 7 -0.552 -17.576 -0.011 49 1HG2 THR 7 1HG2 THR 7 -2.709 -16.139 -2.413 50 2HG2 THR 7 2HG2 THR 7 -1.718 -14.694 -2.611 51 3HG2 THR 7 3HG2 THR 7 -1.120 -16.257 -3.169 52 H MET 8 H MET 8 -0.210 -13.701 -2.597 53 HA MET 8 HA MET 8 1.305 -11.583 -1.739 54 1HB MET 8 2HB MET 8 -1.443 -11.742 -2.944 55 2HB MET 8 3HB MET 8 -0.781 -10.178 -2.464 56 1HG MET 8 2HG MET 8 0.711 -12.125 -4.242 57 2HG MET 8 3HG MET 8 -0.319 -10.838 -4.870 58 1HE MET 8 1HE MET 8 1.818 -9.329 -6.144 59 2HE MET 8 2HE MET 8 2.137 -11.047 -5.920 60 3HE MET 8 3HE MET 8 3.377 -9.867 -5.506 61 H PHE 9 H PHE 9 -1.997 -12.344 -0.598 62 HA PHE 9 HA PHE 9 -2.446 -10.406 1.252 63 1HB PHE 9 2HB PHE 9 -3.325 -13.139 0.881 64 2HB PHE 9 3HB PHE 9 -3.208 -12.750 2.596 65 HD1 PHE 9 HD1 PHE 9 -5.237 -12.493 -0.304 66 HD2 PHE 9 HD2 PHE 9 -4.203 -10.412 3.310 67 HE1 PHE 9 HE1 PHE 9 -7.339 -11.187 -0.455 68 HE2 PHE 9 HE2 PHE 9 -6.305 -9.105 3.157 69 HZ PHE 9 HZ PHE 9 -7.874 -9.493 1.275 70 H ASP 10 H ASP 10 -0.368 -13.229 1.684 71 HA ASP 10 HA ASP 10 0.236 -12.880 4.413 72 1HB ASP 10 2HB ASP 10 0.726 -14.916 3.003 73 2HB ASP 10 3HB ASP 10 2.080 -14.028 2.310 74 H GLN 11 H GLN 11 2.239 -12.044 1.587 75 HA GLN 11 HA GLN 11 4.202 -10.592 2.969 76 1HB GLN 11 2HB GLN 11 3.829 -11.397 0.379 77 2HB GLN 11 3HB GLN 11 3.610 -9.655 0.241 78 1HG GLN 11 2HG GLN 11 5.771 -9.511 1.703 79 2HG GLN 11 3HG GLN 11 6.028 -11.179 1.183 80 1HE2 GLN 11 2HE2 GLN 11 5.835 -7.822 0.043 81 2HE2 GLN 11 1HE2 GLN 11 6.491 -8.130 -1.493 82 H VAL 12 H VAL 12 1.498 -9.281 1.036 83 HA VAL 12 HA VAL 12 1.917 -6.608 1.568 84 HB VAL 12 HB VAL 12 -0.410 -6.263 1.006 85 1HG1 VAL 12 1HG1 VAL 12 1.301 -7.163 -0.671 86 2HG1 VAL 12 2HG1 VAL 12 0.473 -8.710 -0.496 87 3HG1 VAL 12 3HG1 VAL 12 -0.404 -7.309 -1.105 88 1HG2 VAL 12 1HG2 VAL 12 -1.645 -7.819 2.293 89 2HG2 VAL 12 2HG2 VAL 12 -1.797 -8.437 0.649 90 3HG2 VAL 12 3HG2 VAL 12 -0.647 -9.171 1.760 91 H ALA 13 H ALA 13 -0.350 -8.734 3.327 92 HA ALA 13 HA ALA 13 -1.017 -6.950 5.305 93 1HB ALA 13 1HB ALA 13 -1.690 -8.856 6.649 94 2HB ALA 13 2HB ALA 13 -2.094 -9.179 4.963 95 3HB ALA 13 3HB ALA 13 -0.674 -9.933 5.690 96 H GLU 14 H GLU 14 1.735 -9.152 5.083 97 HA GLU 14 HA GLU 14 2.788 -8.710 7.676 98 1HB GLU 14 2HB GLU 14 3.437 -10.566 6.092 99 2HB GLU 14 3HB GLU 14 4.390 -9.380 5.202 100 1HG GLU 14 2HG GLU 14 5.412 -8.844 7.566 101 2HG GLU 14 3HG GLU 14 4.809 -10.447 7.980 102 H VAL 15 H VAL 15 3.887 -7.373 4.551 103 HA VAL 15 HA VAL 15 5.731 -5.547 5.616 104 HB VAL 15 HB VAL 15 4.134 -5.347 3.050 105 1HG1 VAL 15 1HG1 VAL 15 5.104 -3.204 3.475 106 2HG1 VAL 15 2HG1 VAL 15 6.605 -3.923 4.058 107 3HG1 VAL 15 3HG1 VAL 15 6.195 -4.007 2.346 108 1HG2 VAL 15 1HG2 VAL 15 6.964 -6.356 3.426 109 2HG2 VAL 15 2HG2 VAL 15 5.573 -7.438 3.471 110 3HG2 VAL 15 3HG2 VAL 15 5.929 -6.522 2.007 111 H ILE 16 H ILE 16 2.371 -4.949 4.552 112 HA ILE 16 HA ILE 16 2.228 -2.243 5.219 113 HB ILE 16 HB ILE 16 0.067 -4.363 5.245 114 1HG1 ILE 16 2HG1 ILE 16 0.454 -2.221 3.169 115 2HG1 ILE 16 3HG1 ILE 16 1.458 -3.668 3.110 116 1HG2 ILE 16 1HG2 ILE 16 -0.100 -1.338 5.384 117 2HG2 ILE 16 2HG2 ILE 16 -1.469 -2.379 4.992 118 3HG2 ILE 16 3HG2 ILE 16 -0.700 -2.491 6.576 119 1HD1 ILE 16 1HD1 ILE 16 -0.628 -5.053 3.162 120 2HD1 ILE 16 2HD1 ILE 16 -1.571 -3.567 3.062 121 3HD1 ILE 16 3HD1 ILE 16 -0.510 -4.030 1.731 122 H GLU 17 H GLU 17 1.280 -5.051 7.199 123 HA GLU 17 HA GLU 17 0.432 -3.757 9.490 124 1HB GLU 17 2HB GLU 17 0.176 -6.137 9.271 125 2HB GLU 17 3HB GLU 17 1.921 -6.370 9.183 126 1HG GLU 17 2HG GLU 17 2.229 -5.966 11.452 127 2HG GLU 17 3HG GLU 17 0.760 -5.002 11.587 128 H ARG 18 H ARG 18 3.737 -4.569 8.512 129 HA ARG 18 HA ARG 18 5.006 -3.782 10.922 130 1HB ARG 18 2HB ARG 18 5.947 -4.153 8.087 131 2HB ARG 18 3HB ARG 18 7.035 -3.540 9.332 132 1HG ARG 18 2HG ARG 18 6.973 -5.529 10.554 133 2HG ARG 18 3HG ARG 18 5.426 -6.023 9.864 134 1HD ARG 18 2HD ARG 18 6.390 -6.772 7.883 135 2HD ARG 18 3HD ARG 18 7.792 -5.720 8.045 136 HE ARG 18 HE ARG 18 7.515 -8.379 9.104 137 1HH1 ARG 18 1HH2 ARG 18 10.115 -7.186 8.189 138 2HH1 ARG 18 2HH2 ARG 18 10.962 -6.950 9.681 139 1HH2 ARG 18 1HH1 ARG 18 8.128 -7.252 11.647 140 2HH2 ARG 18 2HH1 ARG 18 9.841 -6.988 11.635 141 H LEU 19 H LEU 19 4.427 -2.059 7.867 142 HA LEU 19 HA LEU 19 5.705 0.355 8.734 143 1HB LEU 19 2HB LEU 19 3.899 -0.299 6.407 144 2HB LEU 19 3HB LEU 19 4.580 1.306 6.672 145 HG LEU 19 HG LEU 19 6.383 -1.104 6.669 146 1HD1 LEU 19 1HD1 LEU 19 6.701 -0.868 4.263 147 2HD1 LEU 19 2HD1 LEU 19 4.997 -1.180 4.590 148 3HD1 LEU 19 3HD1 LEU 19 5.535 0.455 4.208 149 1HD2 LEU 19 1HD2 LEU 19 6.776 1.784 5.808 150 2HD2 LEU 19 2HD2 LEU 19 7.201 1.148 7.398 151 3HD2 LEU 19 3HD2 LEU 19 8.033 0.557 5.960 152 H ARG 20 H ARG 20 2.477 -0.914 9.024 153 HA ARG 20 HA ARG 20 0.780 1.162 9.136 154 1HB ARG 20 2HB ARG 20 1.005 -1.327 10.653 155 2HB ARG 20 3HB ARG 20 0.113 -0.069 11.505 156 1HG ARG 20 2HG ARG 20 -1.262 0.276 9.429 157 2HG ARG 20 3HG ARG 20 -0.449 -1.120 8.718 158 1HD ARG 20 2HD ARG 20 -1.310 -2.586 10.423 159 2HD ARG 20 3HD ARG 20 -1.926 -1.227 11.359 160 HE ARG 20 HE ARG 20 -3.129 -2.377 8.958 161 1HH1 ARG 20 1HH1 ARG 20 -3.535 -0.548 11.790 162 2HH1 ARG 20 2HH1 ARG 20 -4.903 0.347 11.216 163 1HH2 ARG 20 1HH2 ARG 20 -4.695 -0.887 7.985 164 2HH2 ARG 20 2HH2 ARG 20 -5.559 0.155 9.065 165 HA PRO 21 HA PRO 21 2.018 2.415 13.752 166 1HB PRO 21 2HB PRO 21 4.851 1.902 13.886 167 2HB PRO 21 3HB PRO 21 3.570 1.248 14.917 168 1HG PRO 21 2HG PRO 21 4.961 0.019 12.668 169 2HG PRO 21 3HG PRO 21 4.016 -0.734 13.960 170 1HD PRO 21 2HD PRO 21 3.162 -0.592 11.363 171 2HD PRO 21 3HD PRO 21 2.055 -0.660 12.749 172 H PHE 22 H PHE 22 4.631 2.449 11.317 173 HA PHE 22 HA PHE 22 5.313 5.203 11.809 174 1HB PHE 22 2HB PHE 22 6.849 3.338 10.916 175 2HB PHE 22 3HB PHE 22 6.069 3.615 9.360 176 HD1 PHE 22 HD1 PHE 22 8.368 4.960 11.869 177 HD2 PHE 22 HD2 PHE 22 6.257 5.819 8.226 178 HE1 PHE 22 HE1 PHE 22 9.829 6.925 11.483 179 HE2 PHE 22 HE2 PHE 22 7.720 7.784 7.842 180 HZ PHE 22 HZ PHE 22 9.506 8.336 9.471 181 H LEU 23 H LEU 23 3.612 3.436 9.247 182 HA LEU 23 HA LEU 23 3.100 5.583 7.524 183 1HB LEU 23 2HB LEU 23 2.606 2.932 7.408 184 2HB LEU 23 3HB LEU 23 0.990 3.510 7.807 185 HG LEU 23 HG LEU 23 1.447 5.265 5.903 186 1HD1 LEU 23 1HD1 LEU 23 3.862 4.485 5.698 187 2HD1 LEU 23 2HD1 LEU 23 3.238 2.989 5.006 188 3HD1 LEU 23 3HD1 LEU 23 2.961 4.523 4.183 189 1HD2 LEU 23 1HD2 LEU 23 -0.324 3.688 5.650 190 2HD2 LEU 23 2HD2 LEU 23 0.675 3.490 4.210 191 3HD2 LEU 23 3HD2 LEU 23 0.798 2.332 5.536 192 H LEU 24 H LEU 24 1.021 4.177 10.049 193 HA LEU 24 HA LEU 24 -1.167 5.825 9.905 194 1HB LEU 24 2HB LEU 24 -0.591 3.854 11.525 195 2HB LEU 24 3HB LEU 24 -0.001 5.131 12.587 196 HG LEU 24 HG LEU 24 -2.772 5.164 11.358 197 1HD1 LEU 24 1HD1 LEU 24 -2.369 3.162 12.840 198 2HD1 LEU 24 2HD1 LEU 24 -2.004 4.280 14.155 199 3HD1 LEU 24 3HD1 LEU 24 -3.614 4.260 13.435 200 1HD2 LEU 24 1HD2 LEU 24 -1.218 6.860 13.250 201 2HD2 LEU 24 2HD2 LEU 24 -2.492 7.313 12.118 202 3HD2 LEU 24 3HD2 LEU 24 -2.908 6.579 13.666 203 H ARG 25 H ARG 25 1.863 6.450 11.644 204 HA ARG 25 HA ARG 25 1.175 8.857 12.852 205 1HB ARG 25 2HB ARG 25 3.812 7.790 11.853 206 2HB ARG 25 3HB ARG 25 3.686 9.345 12.676 207 1HG ARG 25 2HG ARG 25 2.382 6.962 13.939 208 2HG ARG 25 3HG ARG 25 4.136 7.110 14.046 209 1HD ARG 25 2HD ARG 25 2.364 9.445 14.735 210 2HD ARG 25 3HD ARG 25 2.676 8.181 15.921 211 HE ARG 25 HE ARG 25 4.917 9.602 14.612 212 1HH1 ARG 25 1HH1 ARG 25 4.678 7.471 17.011 213 2HH1 ARG 25 2HH1 ARG 25 5.204 8.487 18.311 214 1HH2 ARG 25 1HH2 ARG 25 4.943 11.418 16.477 215 2HH2 ARG 25 2HH2 ARG 25 5.355 10.720 18.009 216 H ASP 26 H ASP 26 3.048 8.541 9.802 217 HA ASP 26 HA ASP 26 2.209 11.281 9.121 218 1HB ASP 26 2HB ASP 26 4.427 9.574 7.987 219 2HB ASP 26 3HB ASP 26 4.072 11.235 7.514 220 H GLY 27 H GLY 27 2.612 8.133 7.456 221 1HA GLY 27 1HA GLY 27 1.175 9.065 5.129 222 2HA GLY 27 2HA GLY 27 1.837 7.460 5.372 223 H GLY 28 H GLY 28 -0.085 8.243 8.023 224 1HA GLY 28 1HA GLY 28 -2.215 7.623 8.667 225 2HA GLY 28 2HA GLY 28 -2.686 7.742 6.973 226 H ASP 29 H ASP 29 -4.004 5.817 7.379 227 HA ASP 29 HA ASP 29 -2.387 3.334 7.334 228 1HB ASP 29 2HB ASP 29 -4.875 4.043 8.823 229 2HB ASP 29 3HB ASP 29 -4.710 2.392 8.234 230 H CYS 30 H CYS 30 -2.960 1.727 5.920 231 HA CYS 30 HA CYS 30 -4.996 2.430 3.887 232 1HB CYS 30 2HB CYS 30 -2.704 0.578 3.316 233 2HB CYS 30 3HB CYS 30 -3.638 1.573 2.200 234 HG CYS 30 HG CYS 30 -1.949 3.350 2.502 235 H THR 31 H THR 31 -5.804 0.382 2.710 236 HA THR 31 HA THR 31 -5.835 -2.009 4.386 237 HB THR 31 HB THR 31 -8.361 -0.464 3.760 238 HG1 THR 31 HG1 THR 31 -7.934 -1.110 6.327 239 1HG2 THR 31 1HG2 THR 31 -8.891 -2.783 3.600 240 2HG2 THR 31 2HG2 THR 31 -7.865 -3.188 4.976 241 3HG2 THR 31 3HG2 THR 31 -9.368 -2.300 5.228 242 H LEU 32 H LEU 32 -5.680 -3.722 3.112 243 HA LEU 32 HA LEU 32 -6.029 -3.541 0.261 244 1HB LEU 32 2HB LEU 32 -4.304 -5.004 1.112 245 2HB LEU 32 3HB LEU 32 -5.465 -5.871 2.114 246 HG LEU 32 HG LEU 32 -6.620 -6.694 0.104 247 1HD1 LEU 32 1HD1 LEU 32 -4.769 -4.760 -1.208 248 2HD1 LEU 32 2HD1 LEU 32 -5.092 -6.266 -2.069 249 3HD1 LEU 32 3HD1 LEU 32 -6.425 -5.199 -1.630 250 1HD2 LEU 32 1HD2 LEU 32 -5.027 -8.322 -0.480 251 2HD2 LEU 32 2HD2 LEU 32 -3.685 -7.182 -0.378 252 3HD2 LEU 32 3HD2 LEU 32 -4.458 -7.769 1.095 253 H VAL 33 H VAL 33 -8.026 -3.410 -0.560 254 HA VAL 33 HA VAL 33 -10.278 -4.650 0.793 255 HB VAL 33 HB VAL 33 -10.481 -2.393 -0.176 256 1HG1 VAL 33 1HG1 VAL 33 -10.273 -1.954 -2.474 257 2HG1 VAL 33 2HG1 VAL 33 -8.947 -3.077 -2.173 258 3HG1 VAL 33 3HG1 VAL 33 -10.441 -3.654 -2.912 259 1HG2 VAL 33 1HG2 VAL 33 -12.647 -2.720 -1.121 260 2HG2 VAL 33 2HG2 VAL 33 -12.221 -4.316 -1.737 261 3HG2 VAL 33 3HG2 VAL 33 -12.422 -4.064 -0.003 262 H ASP 34 H ASP 34 -8.313 -5.233 -2.074 263 HA ASP 34 HA ASP 34 -9.338 -7.911 -2.272 264 1HB ASP 34 2HB ASP 34 -11.017 -6.237 -3.452 265 2HB ASP 34 3HB ASP 34 -9.836 -6.328 -4.757 266 H VAL 35 H VAL 35 -7.971 -9.240 -3.329 267 HA VAL 35 HA VAL 35 -5.582 -8.017 -4.563 268 HB VAL 35 HB VAL 35 -5.080 -9.378 -2.592 269 1HG1 VAL 35 1HG1 VAL 35 -6.353 -11.683 -4.094 270 2HG1 VAL 35 2HG1 VAL 35 -5.660 -11.728 -2.474 271 3HG1 VAL 35 3HG1 VAL 35 -7.139 -10.815 -2.775 272 1HG2 VAL 35 1HG2 VAL 35 -3.309 -10.541 -3.541 273 2HG2 VAL 35 2HG2 VAL 35 -4.288 -11.161 -4.870 274 3HG2 VAL 35 3HG2 VAL 35 -3.740 -9.484 -4.883 275 H GLU 36 H GLU 36 -5.014 -8.545 -6.624 276 HA GLU 36 HA GLU 36 -6.293 -10.765 -8.003 277 1HB GLU 36 2HB GLU 36 -7.928 -8.871 -8.157 278 2HB GLU 36 3HB GLU 36 -6.696 -7.935 -9.001 279 1HG GLU 36 2HG GLU 36 -8.116 -8.951 -10.671 280 2HG GLU 36 3HG GLU 36 -6.566 -9.788 -10.708 281 H ASP 37 H ASP 37 -4.114 -11.468 -8.139 282 HA ASP 37 HA ASP 37 -2.073 -11.740 -9.142 283 1HB ASP 37 2HB ASP 37 -3.515 -10.210 -11.319 284 2HB ASP 37 3HB ASP 37 -1.926 -10.942 -11.527 285 H GLY 38 H GLY 38 -2.616 -8.636 -10.701 286 1HA GLY 38 1HA GLY 38 -0.515 -7.431 -8.991 287 2HA GLY 38 2HA GLY 38 -0.543 -7.206 -10.737 288 H ILE 39 H ILE 39 -3.633 -7.229 -10.346 289 HA ILE 39 HA ILE 39 -3.878 -4.341 -10.095 290 HB ILE 39 HB ILE 39 -6.049 -6.371 -10.674 291 1HG1 ILE 39 2HG1 ILE 39 -5.430 -5.197 -13.076 292 2HG1 ILE 39 3HG1 ILE 39 -3.833 -5.326 -12.341 293 1HG2 ILE 39 1HG2 ILE 39 -6.698 -4.024 -9.987 294 2HG2 ILE 39 2HG2 ILE 39 -5.834 -3.435 -11.406 295 3HG2 ILE 39 3HG2 ILE 39 -7.240 -4.481 -11.599 296 1HD1 ILE 39 1HD1 ILE 39 -5.786 -7.640 -12.506 297 2HD1 ILE 39 2HD1 ILE 39 -4.524 -7.341 -13.700 298 3HD1 ILE 39 3HD1 ILE 39 -4.088 -7.706 -12.031 299 H VAL 40 H VAL 40 -3.142 -4.871 -7.733 300 HA VAL 40 HA VAL 40 -5.249 -5.784 -5.971 301 HB VAL 40 HB VAL 40 -2.399 -5.018 -5.717 302 1HG1 VAL 40 1HG1 VAL 40 -2.746 -4.859 -3.170 303 2HG1 VAL 40 2HG1 VAL 40 -3.155 -3.431 -4.117 304 3HG1 VAL 40 3HG1 VAL 40 -4.433 -4.502 -3.541 305 1HG2 VAL 40 1HG2 VAL 40 -3.645 -7.352 -5.677 306 2HG2 VAL 40 2HG2 VAL 40 -2.263 -7.066 -4.620 307 3HG2 VAL 40 3HG2 VAL 40 -3.901 -6.949 -3.979 308 H LYS 41 H LYS 41 -6.847 -4.583 -5.250 309 HA LYS 41 HA LYS 41 -6.812 -1.690 -5.575 310 1HB LYS 41 2HB LYS 41 -8.880 -3.730 -4.806 311 2HB LYS 41 3HB LYS 41 -9.155 -2.023 -4.461 312 1HG LYS 41 2HG LYS 41 -9.225 -1.435 -6.712 313 2HG LYS 41 3HG LYS 41 -8.252 -2.820 -7.211 314 1HD LYS 41 2HD LYS 41 -10.070 -4.318 -7.018 315 2HD LYS 41 3HD LYS 41 -11.002 -3.197 -6.025 316 1HE LYS 41 2HE LYS 41 -10.231 -2.482 -8.853 317 2HE LYS 41 3HE LYS 41 -11.670 -3.446 -8.521 318 1HZ LYS 41 1HZ LYS 41 -12.512 -1.335 -8.448 319 1HZ LYS 41 1HZ LYS 41 -11.092 -0.659 -7.806 320 3HZ LYS 41 3HZ LYS 41 -12.131 -1.563 -6.811 321 H LEU 42 H LEU 42 -7.103 -0.219 -3.819 322 HA LEU 42 HA LEU 42 -6.642 -1.299 -1.119 323 1HB LEU 42 2HB LEU 42 -4.822 0.465 -2.683 324 2HB LEU 42 3HB LEU 42 -5.026 0.830 -0.971 325 HG LEU 42 HG LEU 42 -4.538 -2.018 -1.757 326 1HD1 LEU 42 1HD1 LEU 42 -2.157 -1.704 -1.874 327 2HD1 LEU 42 2HD1 LEU 42 -2.876 -0.563 -3.008 328 3HD1 LEU 42 3HD1 LEU 42 -2.300 -0.001 -1.439 329 1HD2 LEU 42 1HD2 LEU 42 -4.983 -0.953 0.616 330 2HD2 LEU 42 2HD2 LEU 42 -3.752 -2.201 0.436 331 3HD2 LEU 42 3HD2 LEU 42 -3.282 -0.502 0.516 332 H GLN 43 H GLN 43 -6.765 0.516 0.526 333 HA GLN 43 HA GLN 43 -8.502 2.737 -0.250 334 1HB GLN 43 2HB GLN 43 -9.854 0.614 0.487 335 2HB GLN 43 3HB GLN 43 -9.334 1.073 2.108 336 1HG GLN 43 2HG GLN 43 -10.354 3.252 1.896 337 2HG GLN 43 3HG GLN 43 -10.702 2.982 0.191 338 1HE2 GLN 43 2HE2 GLN 43 -12.572 3.469 2.556 339 2HE2 GLN 43 1HE2 GLN 43 -13.665 2.172 2.505 340 H LEU 44 H LEU 44 -7.685 4.509 0.664 341 HA LEU 44 HA LEU 44 -5.753 4.281 2.819 342 1HB LEU 44 2HB LEU 44 -6.364 6.190 0.746 343 2HB LEU 44 3HB LEU 44 -6.294 7.003 2.308 344 HG LEU 44 HG LEU 44 -4.161 5.069 1.370 345 1HD1 LEU 44 1HD1 LEU 44 -4.571 7.975 0.802 346 2HD1 LEU 44 2HD1 LEU 44 -2.930 7.436 1.161 347 3HD1 LEU 44 3HD1 LEU 44 -3.814 6.732 -0.194 348 1HD2 LEU 44 1HD2 LEU 44 -4.002 5.326 3.708 349 2HD2 LEU 44 2HD2 LEU 44 -2.879 6.541 3.101 350 3HD2 LEU 44 3HD2 LEU 44 -4.485 7.021 3.649 351 H HIS 45 H HIS 45 -5.863 5.703 4.708 352 HA HIS 45 HA HIS 45 -8.475 6.626 5.583 353 1HB HIS 45 2HB HIS 45 -7.078 4.443 7.156 354 2HB HIS 45 3HB HIS 45 -8.621 5.203 7.535 355 HD1 HIS 45 HD1 HIS 45 -10.661 4.610 5.983 356 HD2 HIS 45 HD2 HIS 45 -7.205 2.415 5.194 357 HE1 HIS 45 HE1 HIS 45 -11.360 2.684 4.495 358 H GLY 46 H GLY 46 -7.128 8.566 5.490 359 1HA GLY 46 1HA GLY 46 -5.763 9.010 8.051 360 2HA GLY 46 2HA GLY 46 -4.874 9.365 6.574 361 H ALA 47 H ALA 47 -8.254 9.872 7.558 362 HA ALA 47 HA ALA 47 -9.555 11.752 7.682 363 1HB ALA 47 1HB ALA 47 -7.317 12.556 8.880 364 2HB ALA 47 2HB ALA 47 -7.213 13.592 7.458 365 3HB ALA 47 3HB ALA 47 -8.622 13.683 8.513 366 H CYS 48 H CYS 48 -10.605 11.629 5.769 367 HA CYS 48 HA CYS 48 -9.616 11.977 3.203 368 1HB CYS 48 2HB CYS 48 -12.363 12.820 4.156 369 2HB CYS 48 3HB CYS 48 -11.901 12.366 2.516 370 HG CYS 48 HG CYS 48 -12.514 10.419 4.786 371 H GLY 49 H GLY 49 -10.635 14.395 5.551 372 1HA GLY 49 1HA GLY 49 -10.428 16.687 5.601 373 2HA GLY 49 2HA GLY 49 -9.066 16.467 4.507 374 H THR 50 H THR 50 -9.259 17.555 2.668 375 HA THR 50 HA THR 50 -11.759 17.528 1.181 376 HB THR 50 HB THR 50 -11.840 19.511 2.789 377 HG1 THR 50 HG1 THR 50 -12.589 20.870 1.106 378 1HG2 THR 50 1HG2 THR 50 -9.855 20.728 0.864 379 2HG2 THR 50 2HG2 THR 50 -10.456 21.399 2.379 380 3HG2 THR 50 3HG2 THR 50 -9.356 20.022 2.402 381 H CYS 51 H CYS 51 -8.395 18.556 1.461 382 HA CYS 51 HA CYS 51 -7.947 17.836 -1.327 383 1HB CYS 51 2HB CYS 51 -6.907 19.979 -1.902 384 2HB CYS 51 3HB CYS 51 -8.596 20.216 -1.452 385 HG CYS 51 HG CYS 51 -6.810 20.563 0.968 386 HA PRO 52 HA PRO 52 -4.653 17.048 2.128 387 1HB PRO 52 2HB PRO 52 -4.555 14.365 1.088 388 2HB PRO 52 3HB PRO 52 -5.060 14.897 2.698 389 1HG PRO 52 2HG PRO 52 -6.679 14.131 0.398 390 2HG PRO 52 3HG PRO 52 -7.131 14.261 2.103 391 1HD PRO 52 2HD PRO 52 -7.992 16.010 0.167 392 2HD PRO 52 3HD PRO 52 -7.833 16.444 1.884 393 H SER 53 H SER 53 -2.847 17.958 1.303 394 HA SER 53 HA SER 53 -1.982 17.353 -1.421 395 1HB SER 53 2HB SER 53 -1.922 19.686 -0.621 396 2HB SER 53 3HB SER 53 -0.802 19.220 0.654 397 HG SER 53 HG SER 53 0.420 18.313 -1.297 398 H SER 54 H SER 54 -1.288 16.419 1.819 399 HA SER 54 HA SER 54 1.401 15.489 1.312 400 1HB SER 54 2HB SER 54 1.368 14.723 3.580 401 2HB SER 54 3HB SER 54 0.544 16.278 3.555 402 HG SER 54 HG SER 54 -0.580 13.678 3.648 403 H THR 55 H THR 55 -1.818 14.029 1.629 404 HA THR 55 HA THR 55 -1.077 11.331 1.563 405 HB THR 55 HB THR 55 -3.568 12.376 0.226 406 HG1 THR 55 HG1 THR 55 -3.169 13.433 2.264 407 1HG2 THR 55 1HG2 THR 55 -2.859 9.880 0.379 408 2HG2 THR 55 2HG2 THR 55 -3.265 10.026 2.088 409 3HG2 THR 55 3HG2 THR 55 -4.499 10.310 0.861 410 H ILE 56 H ILE 56 -1.736 13.584 -1.105 411 HA ILE 56 HA ILE 56 -1.569 11.743 -3.220 412 HB ILE 56 HB ILE 56 -0.719 14.651 -3.274 413 1HG1 ILE 56 2HG1 ILE 56 -3.459 13.446 -3.797 414 2HG1 ILE 56 3HG1 ILE 56 -3.011 14.256 -2.297 415 1HG2 ILE 56 1HG2 ILE 56 -1.740 12.761 -5.422 416 2HG2 ILE 56 2HG2 ILE 56 -1.406 14.477 -5.654 417 3HG2 ILE 56 3HG2 ILE 56 -0.089 13.365 -5.276 418 1HD1 ILE 56 1HD1 ILE 56 -2.290 16.223 -3.866 419 2HD1 ILE 56 2HD1 ILE 56 -3.327 15.428 -5.050 420 3HD1 ILE 56 3HD1 ILE 56 -4.004 15.992 -3.522 421 H THR 57 H THR 57 0.944 13.730 -1.682 422 HA THR 57 HA THR 57 3.088 12.900 -3.337 423 HB THR 57 HB THR 57 3.039 13.978 -0.507 424 HG1 THR 57 HG1 THR 57 2.828 15.782 -1.521 425 1HG2 THR 57 1HG2 THR 57 5.335 13.357 -2.373 426 2HG2 THR 57 2HG2 THR 57 5.478 14.534 -1.067 427 3HG2 THR 57 3HG2 THR 57 5.124 12.847 -0.697 428 H LEU 58 H LEU 58 1.904 11.735 -0.197 429 HA LEU 58 HA LEU 58 3.865 9.805 0.301 430 1HB LEU 58 2HB LEU 58 1.781 10.676 1.711 431 2HB LEU 58 3HB LEU 58 1.028 9.229 1.048 432 HG LEU 58 HG LEU 58 2.052 8.689 3.194 433 1HD1 LEU 58 1HD1 LEU 58 3.230 6.765 2.542 434 2HD1 LEU 58 2HD1 LEU 58 2.253 7.127 1.119 435 3HD1 LEU 58 3HD1 LEU 58 3.962 7.566 1.152 436 1HD2 LEU 58 1HD2 LEU 58 4.816 9.212 2.207 437 2HD2 LEU 58 2HD2 LEU 58 3.860 10.619 2.673 438 3HD2 LEU 58 3HD2 LEU 58 4.162 9.333 3.840 439 H LYS 59 H LYS 59 0.646 9.350 -1.165 440 HA LYS 59 HA LYS 59 0.724 6.692 -1.819 441 1HB LYS 59 2HB LYS 59 -1.125 8.418 -2.238 442 2HB LYS 59 3HB LYS 59 -0.295 8.766 -3.755 443 1HG LYS 59 2HG LYS 59 -0.383 6.215 -4.169 444 2HG LYS 59 3HG LYS 59 -1.580 6.178 -2.874 445 1HD LYS 59 2HD LYS 59 -1.749 7.753 -5.460 446 2HD LYS 59 3HD LYS 59 -2.756 6.385 -4.988 447 1HE LYS 59 2HE LYS 59 -4.150 8.150 -4.407 448 2HE LYS 59 3HE LYS 59 -3.288 7.914 -2.888 449 1HZ LYS 59 1HZ LYS 59 -2.165 9.830 -3.124 450 1HZ LYS 59 1HZ LYS 59 -3.453 10.254 -4.150 451 3HZ LYS 59 3HZ LYS 59 -1.999 9.669 -4.805 452 H ALA 60 H ALA 60 1.823 9.338 -3.943 453 HA ALA 60 HA ALA 60 2.873 7.729 -5.989 454 1HB ALA 60 1HB ALA 60 3.890 9.694 -6.816 455 2HB ALA 60 2HB ALA 60 2.441 10.259 -5.984 456 3HB ALA 60 3HB ALA 60 4.018 10.407 -5.208 457 H GLY 61 H GLY 61 4.167 8.639 -2.882 458 1HA GLY 61 1HA GLY 61 6.914 8.117 -3.378 459 2HA GLY 61 2HA GLY 61 6.133 8.132 -1.800 460 H ILE 62 H ILE 62 4.365 6.137 -1.866 461 HA ILE 62 HA ILE 62 5.932 3.814 -1.534 462 HB ILE 62 HB ILE 62 3.089 3.295 -2.068 463 1HG1 ILE 62 2HG1 ILE 62 3.905 5.333 0.032 464 2HG1 ILE 62 3HG1 ILE 62 2.783 5.582 -1.305 465 1HG2 ILE 62 1HG2 ILE 62 4.854 1.890 -0.821 466 2HG2 ILE 62 2HG2 ILE 62 4.630 3.018 0.516 467 3HG2 ILE 62 3HG2 ILE 62 3.273 2.049 -0.059 468 1HD1 ILE 62 1HD1 ILE 62 2.378 4.112 1.256 469 2HD1 ILE 62 2HD1 ILE 62 1.260 5.138 0.359 470 3HD1 ILE 62 3HD1 ILE 62 1.565 3.487 -0.180 471 H GLU 63 H GLU 63 3.553 4.643 -4.065 472 HA GLU 63 HA GLU 63 3.660 2.450 -5.678 473 1HB GLU 63 2HB GLU 63 2.341 4.588 -6.048 474 2HB GLU 63 3HB GLU 63 3.795 5.249 -6.800 475 1HG GLU 63 2HG GLU 63 3.757 3.053 -8.220 476 2HG GLU 63 3HG GLU 63 2.073 2.956 -7.720 477 H ARG 64 H ARG 64 5.831 5.262 -6.089 478 HA ARG 64 HA ARG 64 7.483 4.186 -8.046 479 1HB ARG 64 2HB ARG 64 8.027 6.184 -5.853 480 2HB ARG 64 3HB ARG 64 9.236 5.766 -7.067 481 1HG ARG 64 2HG ARG 64 7.708 6.441 -8.863 482 2HG ARG 64 3HG ARG 64 6.448 6.797 -7.681 483 1HD ARG 64 2HD ARG 64 7.837 8.787 -8.543 484 2HD ARG 64 3HD ARG 64 7.636 8.645 -6.800 485 HE ARG 64 HE ARG 64 10.046 7.482 -8.022 486 1HH1 ARG 64 1HH2 ARG 64 9.938 7.819 -5.092 487 2HH1 ARG 64 2HH2 ARG 64 10.781 9.310 -4.829 488 1HH2 ARG 64 1HH1 ARG 64 10.527 10.338 -8.133 489 2HH2 ARG 64 2HH1 ARG 64 11.114 10.739 -6.552 490 H ALA 65 H ALA 65 7.958 4.099 -4.509 491 HA ALA 65 HA ALA 65 10.347 2.633 -4.496 492 1HB ALA 65 1HB ALA 65 8.289 2.225 -2.354 493 2HB ALA 65 2HB ALA 65 10.037 2.413 -2.204 494 3HB ALA 65 3HB ALA 65 9.025 3.815 -2.556 495 H LEU 66 H LEU 66 6.972 1.533 -4.383 496 HA LEU 66 HA LEU 66 7.436 -1.215 -4.093 497 1HB LEU 66 2HB LEU 66 5.192 0.313 -5.415 498 2HB LEU 66 3HB LEU 66 5.172 -1.440 -5.223 499 HG LEU 66 HG LEU 66 5.714 0.341 -2.856 500 1HD1 LEU 66 1HD1 LEU 66 3.094 -0.204 -4.215 501 2HD1 LEU 66 2HD1 LEU 66 3.143 -0.087 -2.456 502 3HD1 LEU 66 3HD1 LEU 66 3.666 1.275 -3.444 503 1HD2 LEU 66 1HD2 LEU 66 4.631 -2.455 -3.295 504 2HD2 LEU 66 2HD2 LEU 66 6.119 -1.990 -2.471 505 3HD2 LEU 66 3HD2 LEU 66 4.558 -1.638 -1.733 506 H HIS 67 H HIS 67 6.845 0.640 -7.085 507 HA HIS 67 HA HIS 67 7.147 -1.434 -8.916 508 1HB HIS 67 2HB HIS 67 7.834 1.501 -9.187 509 2HB HIS 67 3HB HIS 67 7.785 0.370 -10.539 510 HD1 HIS 67 HD1 HIS 67 5.747 1.709 -11.550 511 HD2 HIS 67 HD2 HIS 67 4.990 -0.037 -7.842 512 HE1 HIS 67 HE1 HIS 67 3.238 1.783 -11.222 513 H GLU 68 H GLU 68 9.607 0.643 -7.445 514 HA GLU 68 HA GLU 68 11.811 -0.281 -8.960 515 1HB GLU 68 2HB GLU 68 11.537 1.754 -7.291 516 2HB GLU 68 3HB GLU 68 12.149 0.592 -6.116 517 1HG GLU 68 2HG GLU 68 13.500 1.266 -8.746 518 2HG GLU 68 3HG GLU 68 13.972 1.918 -7.179 519 H GLU 69 H GLU 69 10.596 -1.227 -5.752 520 HA GLU 69 HA GLU 69 12.530 -3.365 -5.498 521 1HB GLU 69 2HB GLU 69 10.214 -2.398 -3.827 522 2HB GLU 69 3HB GLU 69 11.093 -3.873 -3.428 523 1HG GLU 69 2HG GLU 69 12.457 -1.206 -3.866 524 2HG GLU 69 3HG GLU 69 11.938 -1.768 -2.279 525 H VAL 70 H VAL 70 9.614 -3.044 -7.124 526 HA VAL 70 HA VAL 70 9.419 -5.919 -7.531 527 HB VAL 70 HB VAL 70 7.117 -4.322 -6.362 528 1HG1 VAL 70 1HG1 VAL 70 7.242 -6.857 -7.901 529 2HG1 VAL 70 2HG1 VAL 70 6.260 -6.899 -6.437 530 3HG1 VAL 70 3HG1 VAL 70 5.906 -5.723 -7.701 531 1HG2 VAL 70 1HG2 VAL 70 8.579 -5.032 -4.604 532 2HG2 VAL 70 2HG2 VAL 70 7.258 -6.200 -4.634 533 3HG2 VAL 70 3HG2 VAL 70 8.816 -6.615 -5.348 534 HA PRO 71 HA PRO 71 8.364 -3.237 -11.170 535 1HB PRO 71 2HB PRO 71 10.475 -4.527 -12.656 536 2HB PRO 71 3HB PRO 71 10.371 -2.836 -12.142 537 1HG PRO 71 2HG PRO 71 12.174 -4.678 -11.175 538 2HG PRO 71 3HG PRO 71 11.710 -3.179 -10.361 539 1HD PRO 71 2HD PRO 71 10.816 -5.981 -9.812 540 2HD PRO 71 3HD PRO 71 11.059 -4.627 -8.683 541 H GLY 72 H GLY 72 6.722 -3.974 -12.385 542 1HA GLY 72 1HA GLY 72 6.420 -5.731 -14.278 543 2HA GLY 72 2HA GLY 72 6.533 -6.863 -12.935 544 H VAL 73 H VAL 73 5.106 -4.167 -11.680 545 HA VAL 73 HA VAL 73 2.565 -5.370 -11.380 546 HB VAL 73 HB VAL 73 1.900 -3.304 -10.338 547 1HG1 VAL 73 1HG1 VAL 73 3.740 -4.796 -9.294 548 2HG1 VAL 73 2HG1 VAL 73 4.848 -3.500 -9.746 549 3HG1 VAL 73 3HG1 VAL 73 3.522 -3.177 -8.631 550 1HG2 VAL 73 1HG2 VAL 73 3.567 -1.342 -10.460 551 2HG2 VAL 73 2HG2 VAL 73 4.249 -2.168 -11.859 552 3HG2 VAL 73 3HG2 VAL 73 2.570 -1.631 -11.885 553 H ILE 74 H ILE 74 0.559 -4.735 -12.182 554 HA ILE 74 HA ILE 74 0.687 -3.883 -14.981 555 HB ILE 74 HB ILE 74 -1.860 -4.810 -13.763 556 1HG1 ILE 74 2HG1 ILE 74 -0.169 -6.310 -12.714 557 2HG1 ILE 74 3HG1 ILE 74 -1.184 -7.169 -13.868 558 1HG2 ILE 74 1HG2 ILE 74 -1.969 -6.007 -15.932 559 2HG2 ILE 74 2HG2 ILE 74 -1.680 -4.280 -16.147 560 3HG2 ILE 74 3HG2 ILE 74 -0.349 -5.423 -16.317 561 1HD1 ILE 74 1HD1 ILE 74 1.232 -7.738 -14.115 562 2HD1 ILE 74 2HD1 ILE 74 0.557 -7.016 -15.576 563 3HD1 ILE 74 3HD1 ILE 74 1.566 -6.051 -14.499 564 H GLU 75 H GLU 75 -1.587 -3.395 -12.265 565 HA GLU 75 HA GLU 75 -1.499 -0.538 -12.517 566 1HB GLU 75 2HB GLU 75 -2.995 -1.501 -14.468 567 2HB GLU 75 3HB GLU 75 -4.195 -1.663 -13.186 568 1HG GLU 75 2HG GLU 75 -3.730 0.762 -12.593 569 2HG GLU 75 3HG GLU 75 -2.782 0.862 -14.076 570 H VAL 76 H VAL 76 -1.411 -0.162 -10.399 571 HA VAL 76 HA VAL 76 -2.989 -1.696 -8.498 572 HB VAL 76 HB VAL 76 -0.669 -1.020 -7.974 573 1HG1 VAL 76 1HG1 VAL 76 -0.108 1.319 -7.605 574 2HG1 VAL 76 2HG1 VAL 76 -0.755 1.142 -9.236 575 3HG1 VAL 76 3HG1 VAL 76 -1.766 1.809 -7.954 576 1HG2 VAL 76 1HG2 VAL 76 -2.514 0.532 -6.153 577 2HG2 VAL 76 2HG2 VAL 76 -2.551 -1.231 -6.209 578 3HG2 VAL 76 3HG2 VAL 76 -1.076 -0.394 -5.727 579 H GLU 77 H GLU 77 -4.258 -0.466 -6.807 580 HA GLU 77 HA GLU 77 -5.503 2.000 -7.812 581 1HB GLU 77 2HB GLU 77 -6.873 -0.636 -7.447 582 2HB GLU 77 3HB GLU 77 -7.754 0.844 -7.069 583 1HG GLU 77 2HG GLU 77 -7.557 1.664 -9.281 584 2HG GLU 77 3HG GLU 77 -6.276 0.521 -9.681 585 H GLN 78 H GLN 78 -5.772 3.416 -6.264 586 HA GLN 78 HA GLN 78 -6.060 2.501 -3.475 587 1HB GLN 78 2HB GLN 78 -3.693 3.456 -4.326 588 2HB GLN 78 3HB GLN 78 -4.493 4.986 -3.984 589 1HG GLN 78 2HG GLN 78 -3.949 2.703 -2.079 590 2HG GLN 78 3HG GLN 78 -3.412 4.377 -1.953 591 1HE2 GLN 78 2HE2 GLN 78 -5.371 6.022 -1.842 592 2HE2 GLN 78 1HE2 GLN 78 -6.680 5.539 -0.876 593 H VAL 79 H VAL 79 -8.291 2.948 -3.656 594 HA VAL 79 HA VAL 79 -9.153 5.627 -4.396 595 HB VAL 79 HB VAL 79 -11.417 4.794 -4.001 596 1HG1 VAL 79 1HG1 VAL 79 -10.634 4.260 -6.166 597 2HG1 VAL 79 2HG1 VAL 79 -9.522 3.034 -5.557 598 3HG1 VAL 79 3HG1 VAL 79 -11.260 2.731 -5.551 599 1HG2 VAL 79 1HG2 VAL 79 -10.089 2.214 -3.104 600 2HG2 VAL 79 2HG2 VAL 79 -10.822 3.383 -2.006 601 3HG2 VAL 79 3HG2 VAL 79 -11.820 2.535 -3.186 602 H PHE 80 H PHE 80 -10.748 6.743 -2.927 603 HA PHE 80 HA PHE 80 -9.534 7.006 -0.274 604 1HB PHE 80 2HB PHE 80 -11.561 8.719 -1.734 605 2HB PHE 80 3HB PHE 80 -10.901 9.077 -0.139 606 HD1 PHE 80 HD1 PHE 80 -10.001 8.591 -3.721 607 HD2 PHE 80 HD2 PHE 80 -8.732 10.045 0.119 608 HE1 PHE 80 HE1 PHE 80 -8.026 9.654 -4.776 609 HE2 PHE 80 HE2 PHE 80 -6.757 11.106 -0.937 610 HZ PHE 80 HZ PHE 80 -6.403 10.912 -3.384 611 H LEU 81 H LEU 81 -11.324 7.799 1.397 612 HA LEU 81 HA LEU 81 -13.087 5.504 1.762 613 1HB LEU 81 2HB LEU 81 -11.742 6.236 3.660 614 2HB LEU 81 3HB LEU 81 -12.406 7.862 3.542 615 HG LEU 81 HG LEU 81 -14.631 7.045 4.126 616 1HD1 LEU 81 1HD1 LEU 81 -14.751 4.891 3.130 617 2HD1 LEU 81 2HD1 LEU 81 -13.283 4.346 3.940 618 3HD1 LEU 81 3HD1 LEU 81 -14.767 4.573 4.864 619 1HD2 LEU 81 1HD2 LEU 81 -14.199 6.375 6.422 620 2HD2 LEU 81 2HD2 LEU 81 -12.579 5.819 5.996 621 3HD2 LEU 81 3HD2 LEU 81 -12.965 7.540 5.942 622 H GLU 82 H GLU 82 -13.250 8.560 0.389 623 HA GLU 82 HA GLU 82 -16.096 8.953 0.997 624 1HB GLU 82 2HB GLU 82 -13.974 10.667 -0.286 625 2HB GLU 82 3HB GLU 82 -15.687 11.073 -0.417 626 1HG GLU 82 2HG GLU 82 -15.897 11.112 2.022 627 2HG GLU 82 3HG GLU 82 -14.218 10.613 2.199 628 H HIS 83 H HIS 83 -14.123 7.458 -1.274 629 HA HIS 83 HA HIS 83 -16.101 7.721 -3.445 630 1HB HIS 83 2HB HIS 83 -13.673 8.188 -3.928 631 2HB HIS 83 3HB HIS 83 -13.335 6.496 -3.568 632 HD1 HIS 83 HD1 HIS 83 -16.045 8.204 -5.663 633 HD2 HIS 83 HD2 HIS 83 -13.214 5.159 -5.975 634 HE1 HIS 83 HE1 HIS 83 -16.325 7.198 -7.971 635 H HIS 84 H HIS 84 -17.567 6.315 -2.184 636 HA HIS 84 HA HIS 84 -16.984 3.666 -1.459 637 1HB HIS 84 2HB HIS 84 -19.618 4.824 -2.412 638 2HB HIS 84 3HB HIS 84 -19.421 3.296 -1.558 639 HD1 HIS 84 HD1 HIS 84 -17.078 5.740 -0.240 640 HD2 HIS 84 HD2 HIS 84 -21.092 4.829 0.428 641 HE1 HIS 84 HE1 HIS 84 -17.698 6.800 1.976 642 H HIS 85 H HIS 85 -17.594 1.668 -2.527 643 HA HIS 85 HA HIS 85 -17.557 1.890 -5.480 644 1HB HIS 85 2HB HIS 85 -16.360 -0.372 -5.377 645 2HB HIS 85 3HB HIS 85 -15.423 1.049 -4.921 646 HD1 HIS 85 HD1 HIS 85 -17.473 -1.706 -3.258 647 HD2 HIS 85 HD2 HIS 85 -14.333 0.893 -2.380 648 HE1 HIS 85 HE1 HIS 85 -16.632 -2.349 -0.957 649 H HIS 86 H HIS 86 -18.951 0.407 -2.667 650 HA HIS 86 HA HIS 86 -20.693 -1.066 -2.384 651 1HB HIS 86 2HB HIS 86 -21.951 0.737 -3.427 652 2HB HIS 86 3HB HIS 86 -21.487 0.178 -5.033 653 HD1 HIS 86 HD1 HIS 86 -23.814 -0.492 -5.858 654 HD2 HIS 86 HD2 HIS 86 -22.804 -2.297 -2.239 655 HE1 HIS 86 HE1 HIS 86 -25.581 -2.251 -5.417 656 H HIS 87 H HIS 87 -21.012 -1.410 -5.845 657 HA HIS 87 HA HIS 87 -20.906 -3.259 -7.201 658 1HB HIS 87 2HB HIS 87 -18.343 -3.613 -5.624 659 2HB HIS 87 3HB HIS 87 -18.739 -4.493 -7.099 660 HD1 HIS 87 HD1 HIS 87 -20.178 -1.839 -8.360 661 HD2 HIS 87 HD2 HIS 87 -16.257 -2.179 -6.983 662 HE1 HIS 87 HE1 HIS 87 -18.852 -0.015 -9.513 663 H HIS 88 H HIS 88 -19.128 -5.480 -5.511 664 HA HIS 88 HA HIS 88 -21.278 -7.283 -5.201 665 1HB HIS 88 2HB HIS 88 -19.652 -8.711 -4.014 666 2HB HIS 88 3HB HIS 88 -18.988 -8.069 -5.512 667 HD1 HIS 88 HD1 HIS 88 -18.438 -5.153 -4.189 668 HD2 HIS 88 HD2 HIS 88 -17.110 -8.836 -2.762 669 HE1 HIS 88 HE1 HIS 88 -16.419 -4.674 -2.739 Start of MODEL 5 1 1H MET 1 1HT MET 1 4.876 -21.401 -2.335 2 2H MET 1 2HT MET 1 4.618 -19.810 -1.802 3 3H MET 1 3HT MET 1 3.404 -20.981 -1.604 4 HA MET 1 HA MET 1 6.041 -21.404 -0.382 5 1HB MET 1 2HB MET 1 4.792 -20.342 1.709 6 2HB MET 1 3HB MET 1 5.699 -19.327 0.591 7 1HG MET 1 2HG MET 1 2.810 -19.867 0.008 8 2HG MET 1 3HG MET 1 3.213 -18.702 1.267 9 1HE MET 1 1HE MET 1 3.920 -15.594 -0.436 10 2HE MET 1 2HE MET 1 4.693 -16.503 0.860 11 3HE MET 1 3HE MET 1 2.936 -16.488 0.731 12 HA PRO 2 HA PRO 2 4.370 -25.178 1.088 13 1HB PRO 2 2HB PRO 2 4.646 -24.628 3.901 14 2HB PRO 2 3HB PRO 2 5.692 -25.615 2.870 15 1HG PRO 2 2HG PRO 2 6.062 -22.882 3.818 16 2HG PRO 2 3HG PRO 2 7.247 -24.023 3.169 17 1HD PRO 2 2HD PRO 2 6.400 -21.798 1.815 18 2HD PRO 2 3HD PRO 2 6.986 -23.268 1.005 19 H THR 3 H THR 3 2.443 -26.082 1.882 20 HA THR 3 HA THR 3 0.228 -26.137 2.494 21 HB THR 3 HB THR 3 0.814 -23.694 4.180 22 HG1 THR 3 HG1 THR 3 2.375 -25.435 4.410 23 1HG2 THR 3 1HG2 THR 3 -0.781 -25.143 5.699 24 2HG2 THR 3 2HG2 THR 3 -1.457 -24.153 4.408 25 3HG2 THR 3 3HG2 THR 3 -1.237 -25.886 4.166 26 H GLU 4 H GLU 4 -1.816 -24.634 2.623 27 HA GLU 4 HA GLU 4 -1.579 -22.596 0.494 28 1HB GLU 4 2HB GLU 4 -2.815 -24.888 0.035 29 2HB GLU 4 3HB GLU 4 -4.133 -24.097 0.902 30 1HG GLU 4 2HG GLU 4 -4.551 -23.447 -1.305 31 2HG GLU 4 3HG GLU 4 -3.638 -22.077 -0.684 32 H ASN 5 H ASN 5 -1.646 -22.528 3.550 33 HA ASN 5 HA ASN 5 -4.006 -20.787 3.890 34 1HB ASN 5 2HB ASN 5 -2.871 -22.808 5.546 35 2HB ASN 5 3HB ASN 5 -2.663 -21.263 6.368 36 1HD2 ASN 5 2HD2 ASN 5 -4.874 -23.772 5.932 37 2HD2 ASN 5 1HD2 ASN 5 -6.290 -22.937 6.358 38 HA PRO 6 HA PRO 6 -0.299 -18.151 5.402 39 1HB PRO 6 2HB PRO 6 2.197 -19.366 4.615 40 2HB PRO 6 3HB PRO 6 1.594 -19.074 6.254 41 1HG PRO 6 2HG PRO 6 1.938 -21.550 5.086 42 2HG PRO 6 3HG PRO 6 0.925 -21.208 6.498 43 1HD PRO 6 2HD PRO 6 0.114 -21.651 3.659 44 2HD PRO 6 3HD PRO 6 -0.754 -22.038 5.161 45 H THR 7 H THR 7 -1.592 -18.212 2.952 46 HA THR 7 HA THR 7 0.137 -17.950 0.705 47 HB THR 7 HB THR 7 -1.844 -17.093 -0.442 48 HG1 THR 7 HG1 THR 7 -3.081 -17.121 2.104 49 1HG2 THR 7 1HG2 THR 7 -2.913 -19.174 1.441 50 2HG2 THR 7 2HG2 THR 7 -3.105 -19.053 -0.307 51 3HG2 THR 7 3HG2 THR 7 -1.565 -19.576 0.377 52 H MET 8 H MET 8 -0.164 -15.767 -0.630 53 HA MET 8 HA MET 8 1.514 -13.859 0.415 54 1HB MET 8 2HB MET 8 -0.742 -13.498 -1.569 55 2HB MET 8 3HB MET 8 0.497 -12.284 -1.252 56 1HG MET 8 2HG MET 8 2.221 -14.083 -1.788 57 2HG MET 8 3HG MET 8 0.882 -15.063 -2.383 58 1HE MET 8 1HE MET 8 2.404 -14.102 -5.682 59 2HE MET 8 2HE MET 8 1.126 -15.165 -5.097 60 3HE MET 8 3HE MET 8 2.655 -15.072 -4.224 61 H PHE 9 H PHE 9 -2.046 -13.736 0.417 62 HA PHE 9 HA PHE 9 -2.578 -11.365 1.615 63 1HB PHE 9 2HB PHE 9 -4.245 -13.134 0.970 64 2HB PHE 9 3HB PHE 9 -3.869 -13.962 2.481 65 HD1 PHE 9 HD1 PHE 9 -4.326 -12.837 4.670 66 HD2 PHE 9 HD2 PHE 9 -5.606 -11.159 0.928 67 HE1 PHE 9 HE1 PHE 9 -5.905 -11.356 5.874 68 HE2 PHE 9 HE2 PHE 9 -7.185 -9.676 2.135 69 HZ PHE 9 HZ PHE 9 -7.335 -9.775 4.608 70 H ASP 10 H ASP 10 -1.536 -14.321 3.294 71 HA ASP 10 HA ASP 10 -1.673 -13.387 5.929 72 1HB ASP 10 2HB ASP 10 -1.231 -15.763 5.124 73 2HB ASP 10 3HB ASP 10 0.444 -15.274 4.882 74 H GLN 11 H GLN 11 1.168 -13.494 3.777 75 HA GLN 11 HA GLN 11 2.976 -12.177 5.455 76 1HB GLN 11 2HB GLN 11 2.946 -13.165 2.808 77 2HB GLN 11 3HB GLN 11 3.462 -11.485 2.702 78 1HG GLN 11 2HG GLN 11 5.212 -11.862 4.362 79 2HG GLN 11 3HG GLN 11 4.668 -13.523 4.597 80 1HE2 GLN 11 2HE2 GLN 11 4.402 -12.570 1.313 81 2HE2 GLN 11 1HE2 GLN 11 5.835 -13.284 0.754 82 H VAL 12 H VAL 12 1.424 -10.711 2.596 83 HA VAL 12 HA VAL 12 2.151 -8.103 3.080 84 HB VAL 12 HB VAL 12 0.553 -7.470 1.507 85 1HG1 VAL 12 1HG1 VAL 12 2.062 -9.456 0.852 86 2HG1 VAL 12 2HG1 VAL 12 0.595 -10.425 0.979 87 3HG1 VAL 12 3HG1 VAL 12 0.675 -9.101 -0.179 88 1HG2 VAL 12 1HG2 VAL 12 -1.552 -8.766 1.117 89 2HG2 VAL 12 2HG2 VAL 12 -1.136 -9.790 2.487 90 3HG2 VAL 12 3HG2 VAL 12 -1.469 -8.075 2.736 91 H ALA 13 H ALA 13 -0.865 -9.689 4.141 92 HA ALA 13 HA ALA 13 -1.928 -7.579 5.562 93 1HB ALA 13 1HB ALA 13 -2.050 -10.522 6.262 94 2HB ALA 13 2HB ALA 13 -3.103 -9.278 6.933 95 3HB ALA 13 3HB ALA 13 -3.173 -9.657 5.212 96 H GLU 14 H GLU 14 0.357 -10.073 6.623 97 HA GLU 14 HA GLU 14 0.643 -9.151 9.296 98 1HB GLU 14 2HB GLU 14 1.305 -11.425 8.418 99 2HB GLU 14 3HB GLU 14 2.714 -10.654 7.688 100 1HG GLU 14 2HG GLU 14 3.208 -9.717 10.033 101 2HG GLU 14 3HG GLU 14 2.016 -10.870 10.623 102 H VAL 15 H VAL 15 2.761 -8.758 6.460 103 HA VAL 15 HA VAL 15 4.673 -7.094 7.635 104 HB VAL 15 HB VAL 15 3.752 -7.071 4.750 105 1HG1 VAL 15 1HG1 VAL 15 6.064 -6.321 4.315 106 2HG1 VAL 15 2HG1 VAL 15 5.222 -5.184 5.368 107 3HG1 VAL 15 3HG1 VAL 15 6.391 -6.316 6.048 108 1HG2 VAL 15 1HG2 VAL 15 4.530 -9.299 6.010 109 2HG2 VAL 15 2HG2 VAL 15 5.053 -8.949 4.364 110 3HG2 VAL 15 3HG2 VAL 15 6.126 -8.614 5.721 111 H ILE 16 H ILE 16 1.760 -6.187 5.779 112 HA ILE 16 HA ILE 16 2.057 -3.420 5.852 113 HB ILE 16 HB ILE 16 -0.458 -5.104 5.940 114 1HG1 ILE 16 2HG1 ILE 16 0.544 -3.513 3.595 115 2HG1 ILE 16 3HG1 ILE 16 1.288 -5.069 3.953 116 1HG2 ILE 16 1HG2 ILE 16 -0.033 -2.127 5.760 117 2HG2 ILE 16 2HG2 ILE 16 -1.404 -2.870 4.936 118 3HG2 ILE 16 3HG2 ILE 16 -1.239 -3.023 6.685 119 1HD1 ILE 16 1HD1 ILE 16 -0.499 -5.521 2.424 120 2HD1 ILE 16 2HD1 ILE 16 -1.066 -6.044 4.009 121 3HD1 ILE 16 3HD1 ILE 16 -1.620 -4.511 3.337 122 H GLU 17 H GLU 17 0.050 -5.373 8.070 123 HA GLU 17 HA GLU 17 -0.525 -3.365 9.913 124 1HB GLU 17 2HB GLU 17 -0.263 -6.355 10.216 125 2HB GLU 17 3HB GLU 17 -0.749 -5.315 11.555 126 1HG GLU 17 2HG GLU 17 -2.691 -4.556 10.393 127 2HG GLU 17 3HG GLU 17 -2.138 -5.248 8.868 128 H ARG 18 H ARG 18 2.309 -5.436 9.626 129 HA ARG 18 HA ARG 18 3.495 -4.795 12.122 130 1HB ARG 18 2HB ARG 18 4.104 -6.708 10.537 131 2HB ARG 18 3HB ARG 18 5.005 -5.512 9.607 132 1HG ARG 18 2HG ARG 18 6.606 -6.438 11.091 133 2HG ARG 18 3HG ARG 18 6.152 -4.904 11.835 134 1HD ARG 18 2HD ARG 18 4.884 -5.936 13.501 135 2HD ARG 18 3HD ARG 18 4.636 -7.397 12.553 136 HE ARG 18 HE ARG 18 6.800 -8.137 13.186 137 1HH1 ARG 18 1HH1 ARG 18 5.488 -5.807 15.243 138 2HH1 ARG 18 2HH1 ARG 18 6.963 -5.458 16.079 139 1HH2 ARG 18 1HH2 ARG 18 8.935 -7.342 13.940 140 2HH2 ARG 18 2HH2 ARG 18 8.914 -6.328 15.345 141 H LEU 19 H LEU 19 4.063 -3.513 8.841 142 HA LEU 19 HA LEU 19 5.851 -1.462 9.792 143 1HB LEU 19 2HB LEU 19 5.582 -2.685 7.409 144 2HB LEU 19 3HB LEU 19 4.647 -1.222 7.094 145 HG LEU 19 HG LEU 19 6.710 -0.021 8.226 146 1HD1 LEU 19 1HD1 LEU 19 8.822 -1.180 7.837 147 2HD1 LEU 19 2HD1 LEU 19 7.792 -2.190 8.851 148 3HD1 LEU 19 3HD1 LEU 19 7.972 -2.556 7.136 149 1HD2 LEU 19 1HD2 LEU 19 6.970 -1.197 5.442 150 2HD2 LEU 19 2HD2 LEU 19 5.929 0.170 5.836 151 3HD2 LEU 19 3HD2 LEU 19 7.676 0.308 6.028 152 H ARG 20 H ARG 20 2.431 -1.715 9.320 153 HA ARG 20 HA ARG 20 1.465 0.708 8.677 154 1HB ARG 20 2HB ARG 20 -0.021 -1.062 9.385 155 2HB ARG 20 3HB ARG 20 0.580 -0.964 11.037 156 1HG ARG 20 2HG ARG 20 -0.321 1.272 11.301 157 2HG ARG 20 3HG ARG 20 -0.768 1.337 9.595 158 1HD ARG 20 2HD ARG 20 -1.859 -0.730 11.516 159 2HD ARG 20 3HD ARG 20 -2.674 0.793 11.172 160 HE ARG 20 HE ARG 20 -2.142 -0.402 8.710 161 1HH1 ARG 20 1HH2 ARG 20 -4.847 0.266 10.194 162 2HH1 ARG 20 2HH2 ARG 20 -5.658 -1.255 10.017 163 1HH2 ARG 20 1HH1 ARG 20 -2.793 -2.969 9.077 164 2HH2 ARG 20 2HH1 ARG 20 -4.493 -3.086 9.385 165 HA PRO 21 HA PRO 21 2.135 2.374 13.336 166 1HB PRO 21 2HB PRO 21 4.801 1.431 13.909 167 2HB PRO 21 3HB PRO 21 3.312 1.137 14.820 168 1HG PRO 21 2HG PRO 21 4.680 -0.572 12.873 169 2HG PRO 21 3HG PRO 21 3.541 -1.006 14.157 170 1HD PRO 21 2HD PRO 21 2.849 -1.108 11.540 171 2HD PRO 21 3HD PRO 21 1.678 -0.675 12.804 172 H PHE 22 H PHE 22 4.724 1.745 10.996 173 HA PHE 22 HA PHE 22 6.003 4.302 11.392 174 1HB PHE 22 2HB PHE 22 7.137 2.165 10.577 175 2HB PHE 22 3HB PHE 22 6.340 2.445 9.031 176 HD1 PHE 22 HD1 PHE 22 7.507 3.654 7.425 177 HD2 PHE 22 HD2 PHE 22 8.331 4.363 11.581 178 HE1 PHE 22 HE1 PHE 22 9.283 5.265 6.798 179 HE2 PHE 22 HE2 PHE 22 10.107 5.976 10.954 180 HZ PHE 22 HZ PHE 22 10.584 6.426 8.562 181 H LEU 23 H LEU 23 4.007 2.823 8.849 182 HA LEU 23 HA LEU 23 3.885 5.037 7.127 183 1HB LEU 23 2HB LEU 23 1.775 2.906 7.546 184 2HB LEU 23 3HB LEU 23 1.947 3.942 6.130 185 HG LEU 23 HG LEU 23 4.087 2.020 7.095 186 1HD1 LEU 23 1HD1 LEU 23 3.400 0.530 5.339 187 2HD1 LEU 23 2HD1 LEU 23 1.953 0.930 6.264 188 3HD1 LEU 23 3HD1 LEU 23 2.248 1.709 4.709 189 1HD2 LEU 23 1HD2 LEU 23 5.209 3.612 5.812 190 2HD2 LEU 23 2HD2 LEU 23 4.733 2.457 4.568 191 3HD2 LEU 23 3HD2 LEU 23 3.802 3.936 4.798 192 H LEU 24 H LEU 24 1.758 4.079 9.811 193 HA LEU 24 HA LEU 24 -0.230 6.010 9.490 194 1HB LEU 24 2HB LEU 24 -0.476 4.173 11.064 195 2HB LEU 24 3HB LEU 24 0.865 4.785 12.033 196 HG LEU 24 HG LEU 24 -0.393 6.818 12.557 197 1HD1 LEU 24 1HD1 LEU 24 -1.746 7.346 10.746 198 2HD1 LEU 24 2HD1 LEU 24 -2.270 5.679 10.515 199 3HD1 LEU 24 3HD1 LEU 24 -2.941 6.638 11.833 200 1HD2 LEU 24 1HD2 LEU 24 -0.736 4.819 13.984 201 2HD2 LEU 24 2HD2 LEU 24 -2.191 5.811 13.905 202 3HD2 LEU 24 3HD2 LEU 24 -2.085 4.328 12.958 203 H ARG 25 H ARG 25 2.617 6.185 11.628 204 HA ARG 25 HA ARG 25 2.253 8.808 12.509 205 1HB ARG 25 2HB ARG 25 4.725 7.110 12.216 206 2HB ARG 25 3HB ARG 25 4.760 8.719 12.939 207 1HG ARG 25 2HG ARG 25 2.933 7.945 14.517 208 2HG ARG 25 3HG ARG 25 3.177 6.314 13.891 209 1HD ARG 25 2HD ARG 25 4.471 6.730 15.976 210 2HD ARG 25 3HD ARG 25 5.506 6.338 14.606 211 HE ARG 25 HE ARG 25 6.459 8.426 14.854 212 1HH1 ARG 25 1HH1 ARG 25 3.398 8.330 16.462 213 2HH1 ARG 25 2HH1 ARG 25 3.446 9.992 16.945 214 1HH2 ARG 25 1HH2 ARG 25 6.470 10.639 15.382 215 2HH2 ARG 25 2HH2 ARG 25 5.183 11.299 16.336 216 H ASP 26 H ASP 26 3.776 7.649 9.529 217 HA ASP 26 HA ASP 26 4.606 10.403 8.901 218 1HB ASP 26 2HB ASP 26 6.167 8.384 8.676 219 2HB ASP 26 3HB ASP 26 5.214 7.954 7.258 220 H GLY 27 H GLY 27 3.025 7.697 7.164 221 1HA GLY 27 1HA GLY 27 1.781 9.635 5.339 222 2HA GLY 27 2HA GLY 27 1.859 7.893 5.109 223 H GLY 28 H GLY 28 0.559 6.560 6.613 224 1HA GLY 28 1HA GLY 28 -1.437 7.443 8.312 225 2HA GLY 28 2HA GLY 28 -2.141 7.473 6.697 226 H ASP 29 H ASP 29 -3.596 5.789 7.122 227 HA ASP 29 HA ASP 29 -2.410 3.146 7.701 228 1HB ASP 29 2HB ASP 29 -5.165 4.291 8.079 229 2HB ASP 29 3HB ASP 29 -4.926 2.549 7.997 230 H CYS 30 H CYS 30 -2.402 1.595 6.208 231 HA CYS 30 HA CYS 30 -3.875 2.073 3.685 232 1HB CYS 30 2HB CYS 30 -1.369 2.275 3.536 233 2HB CYS 30 3HB CYS 30 -1.266 0.575 3.996 234 HG CYS 30 HG CYS 30 -1.537 0.177 1.558 235 H THR 31 H THR 31 -4.676 0.200 2.590 236 HA THR 31 HA THR 31 -4.649 -2.341 4.032 237 HB THR 31 HB THR 31 -7.219 -0.852 3.434 238 HG1 THR 31 HG1 THR 31 -7.155 -0.316 5.455 239 1HG2 THR 31 1HG2 THR 31 -7.619 -3.174 3.063 240 2HG2 THR 31 2HG2 THR 31 -6.633 -3.639 4.449 241 3HG2 THR 31 3HG2 THR 31 -8.189 -2.849 4.700 242 H LEU 32 H LEU 32 -4.387 -3.913 2.607 243 HA LEU 32 HA LEU 32 -4.619 -3.454 -0.222 244 1HB LEU 32 2HB LEU 32 -2.872 -4.919 0.645 245 2HB LEU 32 3HB LEU 32 -4.082 -5.981 1.364 246 HG LEU 32 HG LEU 32 -4.470 -5.459 -1.520 247 1HD1 LEU 32 1HD1 LEU 32 -2.656 -6.869 -2.269 248 2HD1 LEU 32 2HD1 LEU 32 -1.963 -5.581 -1.284 249 3HD1 LEU 32 3HD1 LEU 32 -2.160 -7.196 -0.608 250 1HD2 LEU 32 1HD2 LEU 32 -4.810 -7.944 -1.472 251 2HD2 LEU 32 2HD2 LEU 32 -4.379 -7.934 0.237 252 3HD2 LEU 32 3HD2 LEU 32 -5.826 -7.092 -0.314 253 H VAL 33 H VAL 33 -6.423 -3.630 -1.383 254 HA VAL 33 HA VAL 33 -8.787 -4.873 -0.208 255 HB VAL 33 HB VAL 33 -8.552 -3.507 -2.896 256 1HG1 VAL 33 1HG1 VAL 33 -10.608 -4.708 -2.714 257 2HG1 VAL 33 2HG1 VAL 33 -10.826 -4.230 -1.031 258 3HG1 VAL 33 3HG1 VAL 33 -11.010 -3.038 -2.319 259 1HG2 VAL 33 1HG2 VAL 33 -9.193 -2.319 -0.172 260 2HG2 VAL 33 2HG2 VAL 33 -7.747 -1.987 -1.128 261 3HG2 VAL 33 3HG2 VAL 33 -9.328 -1.467 -1.710 262 H ASP 34 H ASP 34 -6.424 -5.477 -2.722 263 HA ASP 34 HA ASP 34 -7.303 -8.206 -2.982 264 1HB ASP 34 2HB ASP 34 -8.922 -7.011 -4.457 265 2HB ASP 34 3HB ASP 34 -7.567 -6.410 -5.406 266 H VAL 35 H VAL 35 -5.561 -9.411 -3.348 267 HA VAL 35 HA VAL 35 -3.078 -8.108 -4.194 268 HB VAL 35 HB VAL 35 -3.109 -9.557 -2.155 269 1HG1 VAL 35 1HG1 VAL 35 -4.769 -11.204 -3.200 270 2HG1 VAL 35 2HG1 VAL 35 -3.392 -11.882 -4.068 271 3HG1 VAL 35 3HG1 VAL 35 -3.425 -11.911 -2.306 272 1HG2 VAL 35 1HG2 VAL 35 -1.110 -10.960 -2.874 273 2HG2 VAL 35 2HG2 VAL 35 -1.397 -10.383 -4.515 274 3HG2 VAL 35 3HG2 VAL 35 -0.989 -9.239 -3.236 275 H GLU 36 H GLU 36 -2.422 -8.200 -6.227 276 HA GLU 36 HA GLU 36 -3.056 -10.555 -7.868 277 1HB GLU 36 2HB GLU 36 -3.709 -7.687 -8.533 278 2HB GLU 36 3HB GLU 36 -3.517 -8.915 -9.784 279 1HG GLU 36 2HG GLU 36 -5.230 -10.309 -8.592 280 2HG GLU 36 3HG GLU 36 -5.495 -8.960 -7.488 281 H ASP 37 H ASP 37 -1.763 -10.566 -9.903 282 HA ASP 37 HA ASP 37 0.945 -10.473 -9.454 283 1HB ASP 37 2HB ASP 37 -0.573 -10.144 -12.044 284 2HB ASP 37 3HB ASP 37 1.174 -10.363 -11.963 285 H GLY 38 H GLY 38 -0.926 -7.994 -11.203 286 1HA GLY 38 1HA GLY 38 1.047 -5.983 -10.310 287 2HA GLY 38 2HA GLY 38 0.583 -6.070 -12.005 288 H ILE 39 H ILE 39 -2.228 -6.832 -11.074 289 HA ILE 39 HA ILE 39 -3.202 -4.095 -10.880 290 HB ILE 39 HB ILE 39 -4.909 -6.582 -10.971 291 1HG1 ILE 39 2HG1 ILE 39 -4.772 -5.733 -13.573 292 2HG1 ILE 39 3HG1 ILE 39 -3.113 -5.465 -13.045 293 1HG2 ILE 39 1HG2 ILE 39 -5.327 -3.820 -12.141 294 2HG2 ILE 39 2HG2 ILE 39 -6.525 -5.103 -11.975 295 3HG2 ILE 39 3HG2 ILE 39 -5.894 -4.290 -10.541 296 1HD1 ILE 39 1HD1 ILE 39 -3.071 -7.819 -12.171 297 2HD1 ILE 39 2HD1 ILE 39 -4.667 -8.062 -12.879 298 3HD1 ILE 39 3HD1 ILE 39 -3.284 -7.725 -13.918 299 H VAL 40 H VAL 40 -2.000 -4.317 -8.616 300 HA VAL 40 HA VAL 40 -3.635 -5.557 -6.567 301 HB VAL 40 HB VAL 40 -0.984 -4.217 -6.684 302 1HG1 VAL 40 1HG1 VAL 40 -2.768 -4.241 -4.236 303 2HG1 VAL 40 2HG1 VAL 40 -1.009 -4.168 -4.122 304 3HG1 VAL 40 3HG1 VAL 40 -1.894 -2.875 -4.927 305 1HG2 VAL 40 1HG2 VAL 40 -0.284 -6.195 -5.628 306 2HG2 VAL 40 2HG2 VAL 40 -1.874 -6.497 -4.927 307 3HG2 VAL 40 3HG2 VAL 40 -1.609 -6.749 -6.651 308 H LYS 41 H LYS 41 -5.285 -4.656 -5.596 309 HA LYS 41 HA LYS 41 -5.840 -1.811 -5.936 310 1HB LYS 41 2HB LYS 41 -7.439 -4.058 -4.678 311 2HB LYS 41 3HB LYS 41 -7.997 -2.390 -4.814 312 1HG LYS 41 2HG LYS 41 -7.364 -2.710 -7.362 313 2HG LYS 41 3HG LYS 41 -7.555 -4.422 -6.979 314 1HD LYS 41 2HD LYS 41 -9.825 -3.980 -6.114 315 2HD LYS 41 3HD LYS 41 -9.637 -2.267 -6.492 316 1HE LYS 41 2HE LYS 41 -10.723 -2.978 -8.409 317 2HE LYS 41 3HE LYS 41 -9.049 -3.217 -8.906 318 1HZ LYS 41 1HZ LYS 41 -11.098 -5.143 -8.542 319 1HZ LYS 41 1HZ LYS 41 -9.767 -5.503 -7.549 320 3HZ LYS 41 3HZ LYS 41 -9.557 -5.335 -9.225 321 H LEU 42 H LEU 42 -5.937 -0.328 -4.261 322 HA LEU 42 HA LEU 42 -5.132 -1.248 -1.574 323 1HB LEU 42 2HB LEU 42 -3.770 0.777 -3.319 324 2HB LEU 42 3HB LEU 42 -3.758 0.996 -1.570 325 HG LEU 42 HG LEU 42 -3.062 -1.719 -2.591 326 1HD1 LEU 42 1HD1 LEU 42 -1.766 -0.421 -4.140 327 2HD1 LEU 42 2HD1 LEU 42 -1.302 0.727 -2.884 328 3HD1 LEU 42 3HD1 LEU 42 -0.661 -0.915 -2.856 329 1HD2 LEU 42 1HD2 LEU 42 -1.582 -0.074 -0.548 330 2HD2 LEU 42 2HD2 LEU 42 -3.146 -0.777 -0.135 331 3HD2 LEU 42 3HD2 LEU 42 -1.808 -1.823 -0.611 332 H GLN 43 H GLN 43 -5.523 0.380 0.097 333 HA GLN 43 HA GLN 43 -7.436 2.487 -0.566 334 1HB GLN 43 2HB GLN 43 -8.718 0.335 -0.099 335 2HB GLN 43 3HB GLN 43 -8.115 0.447 1.556 336 1HG GLN 43 2HG GLN 43 -9.124 2.681 1.786 337 2HG GLN 43 3HG GLN 43 -9.706 2.597 0.125 338 1HE2 GLN 43 2HE2 GLN 43 -9.718 -0.187 2.339 339 2HE2 GLN 43 1HE2 GLN 43 -11.407 -0.299 2.453 340 H LEU 44 H LEU 44 -6.634 4.234 0.398 341 HA LEU 44 HA LEU 44 -4.867 3.985 2.687 342 1HB LEU 44 2HB LEU 44 -4.984 5.746 0.582 343 2HB LEU 44 3HB LEU 44 -5.688 6.693 1.892 344 HG LEU 44 HG LEU 44 -3.652 5.784 3.283 345 1HD1 LEU 44 1HD1 LEU 44 -1.663 5.337 1.956 346 2HD1 LEU 44 2HD1 LEU 44 -2.931 4.213 1.471 347 3HD1 LEU 44 3HD1 LEU 44 -2.556 5.609 0.460 348 1HD2 LEU 44 1HD2 LEU 44 -2.328 7.733 2.596 349 2HD2 LEU 44 2HD2 LEU 44 -3.253 7.856 1.100 350 3HD2 LEU 44 3HD2 LEU 44 -4.039 8.159 2.650 351 H HIS 45 H HIS 45 -5.163 5.644 4.477 352 HA HIS 45 HA HIS 45 -7.885 6.300 5.215 353 1HB HIS 45 2HB HIS 45 -6.468 3.930 6.312 354 2HB HIS 45 3HB HIS 45 -7.265 4.969 7.493 355 HD1 HIS 45 HD1 HIS 45 -9.864 5.243 7.284 356 HD2 HIS 45 HD2 HIS 45 -8.219 2.471 4.641 357 HE1 HIS 45 HE1 HIS 45 -11.799 3.882 6.373 358 H GLY 46 H GLY 46 -6.901 8.392 5.184 359 1HA GLY 46 1HA GLY 46 -4.831 8.945 7.185 360 2HA GLY 46 2HA GLY 46 -5.429 10.064 5.965 361 H ALA 47 H ALA 47 -8.142 8.716 7.122 362 HA ALA 47 HA ALA 47 -9.849 9.484 8.448 363 1HB ALA 47 1HB ALA 47 -9.104 10.160 10.805 364 2HB ALA 47 2HB ALA 47 -8.697 8.527 10.279 365 3HB ALA 47 3HB ALA 47 -7.466 9.788 10.270 366 H CYS 48 H CYS 48 -8.345 11.401 6.673 367 HA CYS 48 HA CYS 48 -9.461 13.860 7.844 368 1HB CYS 48 2HB CYS 48 -6.913 13.650 8.190 369 2HB CYS 48 3HB CYS 48 -6.792 13.900 6.449 370 HG CYS 48 HG CYS 48 -7.778 16.010 8.500 371 H GLY 49 H GLY 49 -10.573 12.177 5.859 372 1HA GLY 49 1HA GLY 49 -10.016 13.048 3.213 373 2HA GLY 49 2HA GLY 49 -11.492 12.247 3.746 374 H THR 50 H THR 50 -9.836 15.384 3.787 375 HA THR 50 HA THR 50 -12.429 16.725 3.385 376 HB THR 50 HB THR 50 -11.967 18.364 5.064 377 HG1 THR 50 HG1 THR 50 -9.905 17.959 6.300 378 1HG2 THR 50 1HG2 THR 50 -11.056 15.791 6.350 379 2HG2 THR 50 2HG2 THR 50 -12.037 17.074 7.055 380 3HG2 THR 50 3HG2 THR 50 -12.719 16.022 5.813 381 H CYS 51 H CYS 51 -8.919 17.292 3.621 382 HA CYS 51 HA CYS 51 -8.848 18.417 0.948 383 1HB CYS 51 2HB CYS 51 -8.086 20.606 1.586 384 2HB CYS 51 3HB CYS 51 -9.585 20.299 2.465 385 HG CYS 51 HG CYS 51 -6.744 20.308 3.738 386 HA PRO 52 HA PRO 52 -5.132 16.100 3.020 387 1HB PRO 52 2HB PRO 52 -5.122 14.468 0.650 388 2HB PRO 52 3HB PRO 52 -5.441 13.974 2.317 389 1HG PRO 52 2HG PRO 52 -7.310 14.493 0.142 390 2HG PRO 52 3HG PRO 52 -7.558 13.616 1.657 391 1HD PRO 52 2HD PRO 52 -8.666 16.071 1.125 392 2HD PRO 52 3HD PRO 52 -8.315 15.484 2.765 393 H SER 53 H SER 53 -3.624 17.662 2.693 394 HA SER 53 HA SER 53 -2.907 18.450 -0.045 395 1HB SER 53 2HB SER 53 -3.317 20.133 1.849 396 2HB SER 53 3HB SER 53 -1.780 19.586 2.513 397 HG SER 53 HG SER 53 -1.874 21.449 0.922 398 H SER 54 H SER 54 -1.737 16.700 2.734 399 HA SER 54 HA SER 54 0.972 16.464 1.675 400 1HB SER 54 2HB SER 54 0.201 16.646 4.192 401 2HB SER 54 3HB SER 54 -0.022 14.908 4.031 402 HG SER 54 HG SER 54 2.119 14.696 3.502 403 H THR 55 H THR 55 -1.963 14.545 2.000 404 HA THR 55 HA THR 55 -0.900 11.998 1.463 405 HB THR 55 HB THR 55 -3.610 12.926 0.517 406 HG1 THR 55 HG1 THR 55 -3.403 11.876 3.038 407 1HG2 THR 55 1HG2 THR 55 -2.643 10.560 0.097 408 2HG2 THR 55 2HG2 THR 55 -2.851 10.318 1.831 409 3HG2 THR 55 3HG2 THR 55 -4.248 10.671 0.817 410 H ILE 56 H ILE 56 -1.664 14.685 -0.640 411 HA ILE 56 HA ILE 56 -1.790 13.380 -3.113 412 HB ILE 56 HB ILE 56 -0.600 16.112 -2.566 413 1HG1 ILE 56 2HG1 ILE 56 -3.482 15.356 -3.151 414 2HG1 ILE 56 3HG1 ILE 56 -2.870 15.758 -1.548 415 1HG2 ILE 56 1HG2 ILE 56 -1.933 14.909 -5.018 416 2HG2 ILE 56 2HG2 ILE 56 -1.378 16.578 -4.871 417 3HG2 ILE 56 3HG2 ILE 56 -0.212 15.257 -4.847 418 1HD1 ILE 56 1HD1 ILE 56 -3.649 17.834 -2.238 419 2HD1 ILE 56 2HD1 ILE 56 -1.972 17.922 -2.775 420 3HD1 ILE 56 3HD1 ILE 56 -3.248 17.537 -3.930 421 H THR 57 H THR 57 1.040 14.992 -1.636 422 HA THR 57 HA THR 57 2.914 14.093 -3.546 423 HB THR 57 HB THR 57 3.483 14.765 -0.651 424 HG1 THR 57 HG1 THR 57 3.812 16.901 -1.658 425 1HG2 THR 57 1HG2 THR 57 5.272 13.778 -2.251 426 2HG2 THR 57 2HG2 THR 57 5.194 15.338 -3.067 427 3HG2 THR 57 3HG2 THR 57 5.674 15.253 -1.373 428 H LEU 58 H LEU 58 2.004 12.803 -0.356 429 HA LEU 58 HA LEU 58 3.842 10.685 -0.251 430 1HB LEU 58 2HB LEU 58 1.313 11.395 1.099 431 2HB LEU 58 3HB LEU 58 1.659 9.668 1.053 432 HG LEU 58 HG LEU 58 2.604 10.775 3.076 433 1HD1 LEU 58 1HD1 LEU 58 4.449 9.422 3.056 434 2HD1 LEU 58 2HD1 LEU 58 3.744 8.855 1.543 435 3HD1 LEU 58 3HD1 LEU 58 5.032 10.061 1.518 436 1HD2 LEU 58 1HD2 LEU 58 4.623 12.111 1.282 437 2HD2 LEU 58 2HD2 LEU 58 3.099 12.922 1.641 438 3HD2 LEU 58 3HD2 LEU 58 4.197 12.491 2.951 439 H LYS 59 H LYS 59 0.416 10.583 -1.244 440 HA LYS 59 HA LYS 59 0.200 7.984 -2.083 441 1HB LYS 59 2HB LYS 59 -1.616 9.730 -2.071 442 2HB LYS 59 3HB LYS 59 -0.964 10.329 -3.595 443 1HG LYS 59 2HG LYS 59 -1.327 8.137 -4.638 444 2HG LYS 59 3HG LYS 59 -1.914 7.490 -3.107 445 1HD LYS 59 2HD LYS 59 -3.960 8.066 -3.936 446 2HD LYS 59 3HD LYS 59 -3.523 9.672 -3.357 447 1HE LYS 59 2HE LYS 59 -3.093 8.610 -6.166 448 2HE LYS 59 3HE LYS 59 -4.286 9.815 -5.679 449 1HZ LYS 59 1HZ LYS 59 -2.306 10.838 -6.621 450 1HZ LYS 59 1HZ LYS 59 -1.340 10.109 -5.429 451 3HZ LYS 59 3HZ LYS 59 -2.498 11.274 -4.993 452 H ALA 60 H ALA 60 1.122 10.714 -4.195 453 HA ALA 60 HA ALA 60 1.769 9.163 -6.453 454 1HB ALA 60 1HB ALA 60 3.028 11.802 -5.676 455 2HB ALA 60 2HB ALA 60 2.861 11.133 -7.298 456 3HB ALA 60 3HB ALA 60 1.431 11.655 -6.409 457 H GLY 61 H GLY 61 3.532 9.880 -3.538 458 1HA GLY 61 1HA GLY 61 6.146 9.237 -4.474 459 2HA GLY 61 2HA GLY 61 5.626 9.283 -2.789 460 H ILE 62 H ILE 62 3.670 7.394 -2.697 461 HA ILE 62 HA ILE 62 5.131 4.978 -2.539 462 HB ILE 62 HB ILE 62 2.185 4.749 -2.742 463 1HG1 ILE 62 2HG1 ILE 62 3.558 6.613 -0.792 464 2HG1 ILE 62 3HG1 ILE 62 2.122 6.913 -1.769 465 1HG2 ILE 62 1HG2 ILE 62 3.965 4.087 -0.398 466 2HG2 ILE 62 2HG2 ILE 62 2.482 3.287 -0.920 467 3HG2 ILE 62 3HG2 ILE 62 3.970 3.078 -1.844 468 1HD1 ILE 62 1HD1 ILE 62 1.113 4.912 -0.395 469 2HD1 ILE 62 2HD1 ILE 62 2.389 5.317 0.755 470 3HD1 ILE 62 3HD1 ILE 62 1.179 6.522 0.321 471 H GLU 63 H GLU 63 2.529 5.977 -4.787 472 HA GLU 63 HA GLU 63 2.338 3.790 -6.412 473 1HB GLU 63 2HB GLU 63 1.035 5.899 -6.681 474 2HB GLU 63 3HB GLU 63 2.452 6.643 -7.422 475 1HG GLU 63 2HG GLU 63 2.353 5.256 -9.315 476 2HG GLU 63 3HG GLU 63 1.388 4.035 -8.489 477 H ARG 64 H ARG 64 4.575 6.503 -7.054 478 HA ARG 64 HA ARG 64 5.998 5.296 -9.141 479 1HB ARG 64 2HB ARG 64 6.467 7.546 -7.260 480 2HB ARG 64 3HB ARG 64 7.897 6.878 -8.050 481 1HG ARG 64 2HG ARG 64 6.917 8.721 -9.379 482 2HG ARG 64 3HG ARG 64 6.849 7.191 -10.254 483 1HD ARG 64 2HD ARG 64 4.506 6.902 -9.672 484 2HD ARG 64 3HD ARG 64 4.550 8.318 -8.626 485 HE ARG 64 HE ARG 64 3.888 9.392 -10.578 486 1HH1 ARG 64 1HH1 ARG 64 4.015 7.187 -12.536 487 2HH1 ARG 64 2HH1 ARG 64 5.292 7.668 -13.603 488 1HH2 ARG 64 1HH2 ARG 64 6.604 10.010 -11.404 489 2HH2 ARG 64 2HH2 ARG 64 6.758 9.267 -12.961 490 H ALA 65 H ALA 65 6.435 5.124 -5.645 491 HA ALA 65 HA ALA 65 8.920 3.823 -5.564 492 1HB ALA 65 1HB ALA 65 8.506 3.502 -3.314 493 2HB ALA 65 2HB ALA 65 7.361 4.797 -3.657 494 3HB ALA 65 3HB ALA 65 6.802 3.127 -3.569 495 H LEU 66 H LEU 66 5.626 2.470 -5.554 496 HA LEU 66 HA LEU 66 6.292 -0.243 -5.466 497 1HB LEU 66 2HB LEU 66 3.940 1.331 -6.413 498 2HB LEU 66 3HB LEU 66 4.041 -0.362 -6.894 499 HG LEU 66 HG LEU 66 4.399 -0.946 -4.460 500 1HD1 LEU 66 1HD1 LEU 66 3.744 0.771 -2.795 501 2HD1 LEU 66 2HD1 LEU 66 5.181 1.262 -3.692 502 3HD1 LEU 66 3HD1 LEU 66 3.613 1.964 -4.087 503 1HD2 LEU 66 1HD2 LEU 66 2.207 -1.284 -5.363 504 2HD2 LEU 66 2HD2 LEU 66 1.973 -0.436 -3.834 505 3HD2 LEU 66 3HD2 LEU 66 1.863 0.445 -5.357 506 H HIS 67 H HIS 67 5.691 1.834 -8.295 507 HA HIS 67 HA HIS 67 6.078 -0.049 -10.307 508 1HB HIS 67 2HB HIS 67 6.690 2.915 -10.274 509 2HB HIS 67 3HB HIS 67 6.726 1.921 -11.730 510 HD1 HIS 67 HD1 HIS 67 4.684 3.253 -12.708 511 HD2 HIS 67 HD2 HIS 67 3.852 1.211 -9.170 512 HE1 HIS 67 HE1 HIS 67 2.164 3.229 -12.469 513 H GLU 68 H GLU 68 8.510 2.176 -8.916 514 HA GLU 68 HA GLU 68 10.692 1.104 -10.383 515 1HB GLU 68 2HB GLU 68 10.924 3.297 -9.456 516 2HB GLU 68 3HB GLU 68 10.557 2.721 -7.831 517 1HG GLU 68 2HG GLU 68 12.624 1.473 -7.730 518 2HG GLU 68 3HG GLU 68 12.954 1.784 -9.433 519 H GLU 69 H GLU 69 9.069 0.111 -7.481 520 HA GLU 69 HA GLU 69 11.226 -1.618 -6.604 521 1HB GLU 69 2HB GLU 69 8.436 -1.062 -5.621 522 2HB GLU 69 3HB GLU 69 9.375 -2.409 -4.980 523 1HG GLU 69 2HG GLU 69 10.579 0.349 -5.124 524 2HG GLU 69 3HG GLU 69 9.523 -0.089 -3.785 525 H VAL 70 H VAL 70 8.779 -1.801 -8.918 526 HA VAL 70 HA VAL 70 9.303 -4.621 -9.322 527 HB VAL 70 HB VAL 70 7.435 -4.489 -7.607 528 1HG1 VAL 70 1HG1 VAL 70 6.400 -2.571 -9.319 529 2HG1 VAL 70 2HG1 VAL 70 5.412 -3.988 -9.668 530 3HG1 VAL 70 3HG1 VAL 70 5.516 -3.370 -8.020 531 1HG2 VAL 70 1HG2 VAL 70 7.243 -5.884 -10.261 532 2HG2 VAL 70 2HG2 VAL 70 7.573 -6.559 -8.667 533 3HG2 VAL 70 3HG2 VAL 70 5.934 -6.067 -9.094 534 HA PRO 71 HA PRO 71 8.589 -1.626 -13.007 535 1HB PRO 71 2HB PRO 71 10.796 -3.034 -14.212 536 2HB PRO 71 3HB PRO 71 10.719 -1.336 -13.719 537 1HG PRO 71 2HG PRO 71 11.930 -3.618 -12.356 538 2HG PRO 71 3HG PRO 71 12.213 -1.886 -12.132 539 1HD PRO 71 2HD PRO 71 10.907 -3.433 -10.292 540 2HD PRO 71 3HD PRO 71 10.591 -1.697 -10.500 541 H GLY 72 H GLY 72 7.069 -2.301 -14.381 542 1HA GLY 72 1HA GLY 72 6.647 -3.846 -16.302 543 2HA GLY 72 2HA GLY 72 7.011 -5.154 -15.180 544 H VAL 73 H VAL 73 5.373 -2.487 -13.815 545 HA VAL 73 HA VAL 73 3.113 -4.015 -13.054 546 HB VAL 73 HB VAL 73 2.208 -1.794 -12.312 547 1HG1 VAL 73 1HG1 VAL 73 5.092 -2.314 -11.541 548 2HG1 VAL 73 2HG1 VAL 73 3.879 -1.481 -10.568 549 3HG1 VAL 73 3HG1 VAL 73 3.710 -3.206 -10.900 550 1HG2 VAL 73 1HG2 VAL 73 3.371 -0.520 -14.183 551 2HG2 VAL 73 2HG2 VAL 73 3.533 0.194 -12.581 552 3HG2 VAL 73 3HG2 VAL 73 4.870 -0.718 -13.277 553 H ILE 74 H ILE 74 0.936 -3.699 -13.568 554 HA ILE 74 HA ILE 74 0.529 -3.055 -16.408 555 HB ILE 74 HB ILE 74 -1.583 -4.405 -14.798 556 1HG1 ILE 74 2HG1 ILE 74 0.531 -5.513 -14.052 557 2HG1 ILE 74 3HG1 ILE 74 -0.494 -6.588 -14.996 558 1HG2 ILE 74 1HG2 ILE 74 -1.817 -5.654 -16.916 559 2HG2 ILE 74 2HG2 ILE 74 -1.876 -3.912 -17.182 560 3HG2 ILE 74 3HG2 ILE 74 -0.407 -4.812 -17.560 561 1HD1 ILE 74 1HD1 ILE 74 1.818 -5.006 -16.155 562 2HD1 ILE 74 2HD1 ILE 74 1.924 -6.693 -15.658 563 3HD1 ILE 74 3HD1 ILE 74 0.857 -6.229 -16.984 564 H GLU 75 H GLU 75 -1.321 -2.831 -13.352 565 HA GLU 75 HA GLU 75 -1.868 -0.041 -13.717 566 1HB GLU 75 2HB GLU 75 -3.432 -1.324 -15.358 567 2HB GLU 75 3HB GLU 75 -4.314 -1.784 -13.903 568 1HG GLU 75 2HG GLU 75 -4.350 0.710 -13.311 569 2HG GLU 75 3HG GLU 75 -3.798 1.006 -14.958 570 H VAL 76 H VAL 76 -1.418 0.420 -11.631 571 HA VAL 76 HA VAL 76 -2.503 -1.236 -9.482 572 HB VAL 76 HB VAL 76 -0.197 -0.412 -9.276 573 1HG1 VAL 76 1HG1 VAL 76 -0.020 2.136 -8.774 574 2HG1 VAL 76 2HG1 VAL 76 -0.131 1.623 -10.456 575 3HG1 VAL 76 3HG1 VAL 76 -1.555 2.258 -9.630 576 1HG2 VAL 76 1HG2 VAL 76 -0.350 0.380 -7.018 577 2HG2 VAL 76 2HG2 VAL 76 -1.947 1.073 -7.295 578 3HG2 VAL 76 3HG2 VAL 76 -1.738 -0.679 -7.256 579 H GLU 77 H GLU 77 -3.695 -0.193 -7.687 580 HA GLU 77 HA GLU 77 -5.161 2.242 -8.428 581 1HB GLU 77 2HB GLU 77 -6.682 -0.198 -7.531 582 2HB GLU 77 3HB GLU 77 -7.308 1.282 -8.256 583 1HG GLU 77 2HG GLU 77 -6.130 0.708 -10.376 584 2HG GLU 77 3HG GLU 77 -5.595 -0.803 -9.648 585 H GLN 78 H GLN 78 -5.237 3.549 -6.754 586 HA GLN 78 HA GLN 78 -5.310 2.401 -4.030 587 1HB GLN 78 2HB GLN 78 -3.070 3.521 -4.880 588 2HB GLN 78 3HB GLN 78 -3.936 5.016 -4.531 589 1HG GLN 78 2HG GLN 78 -4.518 3.728 -2.268 590 2HG GLN 78 3HG GLN 78 -3.027 2.871 -2.659 591 1HE2 GLN 78 2HE2 GLN 78 -4.364 6.045 -1.816 592 2HE2 GLN 78 1HE2 GLN 78 -2.868 6.773 -1.480 593 H VAL 79 H VAL 79 -7.557 2.671 -3.995 594 HA VAL 79 HA VAL 79 -8.689 5.317 -4.430 595 HB VAL 79 HB VAL 79 -10.824 4.297 -4.140 596 1HG1 VAL 79 1HG1 VAL 79 -9.663 3.710 -6.238 597 2HG1 VAL 79 2HG1 VAL 79 -8.967 2.288 -5.458 598 3HG1 VAL 79 3HG1 VAL 79 -10.710 2.394 -5.705 599 1HG2 VAL 79 1HG2 VAL 79 -9.256 2.074 -2.810 600 2HG2 VAL 79 2HG2 VAL 79 -10.588 3.018 -2.146 601 3HG2 VAL 79 3HG2 VAL 79 -10.899 1.825 -3.403 602 H PHE 80 H PHE 80 -10.354 6.026 -2.719 603 HA PHE 80 HA PHE 80 -8.923 6.237 -0.170 604 1HB PHE 80 2HB PHE 80 -11.355 7.769 -1.115 605 2HB PHE 80 3HB PHE 80 -10.310 8.166 0.249 606 HD1 PHE 80 HD1 PHE 80 -7.721 8.381 -0.358 607 HD2 PHE 80 HD2 PHE 80 -10.943 8.817 -3.168 608 HE1 PHE 80 HE1 PHE 80 -6.230 9.657 -1.871 609 HE2 PHE 80 HE2 PHE 80 -9.451 10.094 -4.680 610 HZ PHE 80 HZ PHE 80 -7.093 10.514 -4.033 611 H LEU 81 H LEU 81 -10.647 6.618 1.722 612 HA LEU 81 HA LEU 81 -11.779 4.075 2.241 613 1HB LEU 81 2HB LEU 81 -12.490 4.973 4.336 614 2HB LEU 81 3HB LEU 81 -10.924 5.682 3.972 615 HG LEU 81 HG LEU 81 -12.191 7.511 4.737 616 1HD1 LEU 81 1HD1 LEU 81 -12.615 7.570 1.737 617 2HD1 LEU 81 2HD1 LEU 81 -12.561 8.959 2.817 618 3HD1 LEU 81 3HD1 LEU 81 -11.110 7.995 2.555 619 1HD2 LEU 81 1HD2 LEU 81 -14.382 5.999 4.295 620 2HD2 LEU 81 2HD2 LEU 81 -14.464 7.732 4.602 621 3HD2 LEU 81 3HD2 LEU 81 -14.536 7.126 2.947 622 H GLU 82 H GLU 82 -12.905 6.311 0.142 623 HA GLU 82 HA GLU 82 -15.668 6.505 0.730 624 1HB GLU 82 2HB GLU 82 -14.103 6.678 -1.848 625 2HB GLU 82 3HB GLU 82 -15.850 6.911 -1.785 626 1HG GLU 82 2HG GLU 82 -14.013 8.451 0.046 627 2HG GLU 82 3HG GLU 82 -14.331 9.010 -1.594 628 H HIS 83 H HIS 83 -17.383 5.193 0.262 629 HA HIS 83 HA HIS 83 -16.892 2.715 -1.252 630 1HB HIS 83 2HB HIS 83 -18.275 1.506 0.517 631 2HB HIS 83 3HB HIS 83 -16.633 1.947 0.982 632 HD1 HIS 83 HD1 HIS 83 -19.262 4.604 0.839 633 HD2 HIS 83 HD2 HIS 83 -17.424 2.226 3.729 634 HE1 HIS 83 HE1 HIS 83 -19.874 5.604 3.083 635 H HIS 84 H HIS 84 -18.477 5.403 -1.366 636 HA HIS 84 HA HIS 84 -20.938 4.170 -2.410 637 1HB HIS 84 2HB HIS 84 -21.363 5.058 -0.096 638 2HB HIS 84 3HB HIS 84 -20.937 6.663 -0.689 639 HD1 HIS 84 HD1 HIS 84 -22.424 7.404 -2.920 640 HD2 HIS 84 HD2 HIS 84 -24.040 4.477 -0.432 641 HE1 HIS 84 HE1 HIS 84 -24.904 7.330 -3.422 642 H HIS 85 H HIS 85 -19.804 4.527 -4.435 643 HA HIS 85 HA HIS 85 -19.388 7.303 -5.241 644 1HB HIS 85 2HB HIS 85 -17.825 5.361 -5.843 645 2HB HIS 85 3HB HIS 85 -19.069 4.859 -6.985 646 HD1 HIS 85 HD1 HIS 85 -16.670 5.580 -8.441 647 HD2 HIS 85 HD2 HIS 85 -19.279 8.566 -7.153 648 HE1 HIS 85 HE1 HIS 85 -16.201 7.611 -9.879 649 H HIS 86 H HIS 86 -20.114 6.331 -8.084 650 HA HIS 86 HA HIS 86 -21.878 6.757 -9.491 651 1HB HIS 86 2HB HIS 86 -22.390 4.455 -8.528 652 2HB HIS 86 3HB HIS 86 -23.522 5.261 -7.443 653 HD1 HIS 86 HD1 HIS 86 -25.823 5.603 -8.351 654 HD2 HIS 86 HD2 HIS 86 -23.031 5.100 -11.404 655 HE1 HIS 86 HE1 HIS 86 -27.130 5.591 -10.518 656 H HIS 87 H HIS 87 -24.678 6.717 -7.955 657 HA HIS 87 HA HIS 87 -24.653 9.341 -6.701 658 1HB HIS 87 2HB HIS 87 -26.612 9.052 -8.943 659 2HB HIS 87 3HB HIS 87 -25.888 10.510 -8.269 660 HD1 HIS 87 HD1 HIS 87 -24.754 7.448 -10.255 661 HD2 HIS 87 HD2 HIS 87 -23.844 11.495 -9.848 662 HE1 HIS 87 HE1 HIS 87 -22.947 7.949 -11.957 663 H HIS 88 H HIS 88 -27.045 7.244 -8.309 664 HA HIS 88 HA HIS 88 -28.397 6.898 -5.702 665 1HB HIS 88 2HB HIS 88 -29.556 8.464 -7.373 666 2HB HIS 88 3HB HIS 88 -29.853 7.025 -8.345 667 HD1 HIS 88 HD1 HIS 88 -31.523 8.996 -5.955 668 HD2 HIS 88 HD2 HIS 88 -31.038 4.879 -6.388 669 HE1 HIS 88 HE1 HIS 88 -33.392 7.911 -4.631 Start of MODEL 6 1 1H MET 1 1HT MET 1 4.026 -31.631 -5.749 2 2H MET 1 2HT MET 1 5.198 -31.789 -4.528 3 3H MET 1 3HT MET 1 5.251 -30.468 -5.596 4 HA MET 1 HA MET 1 3.067 -29.734 -4.718 5 1HB MET 1 2HB MET 1 3.672 -31.781 -2.562 6 2HB MET 1 3HB MET 1 2.261 -30.727 -2.661 7 1HG MET 1 2HG MET 1 1.354 -32.643 -3.579 8 2HG MET 1 3HG MET 1 2.006 -31.908 -5.043 9 1HE MET 1 1HE MET 1 2.679 -33.946 -2.025 10 2HE MET 1 2HE MET 1 3.700 -35.296 -2.512 11 3HE MET 1 3HE MET 1 2.008 -35.260 -2.999 12 HA PRO 2 HA PRO 2 6.744 -27.826 -2.654 13 1HB PRO 2 2HB PRO 2 6.210 -25.407 -4.135 14 2HB PRO 2 3HB PRO 2 7.594 -26.500 -4.284 15 1HG PRO 2 2HG PRO 2 5.631 -26.133 -6.189 16 2HG PRO 2 3HG PRO 2 6.730 -27.517 -6.096 17 1HD PRO 2 2HD PRO 2 3.862 -27.332 -5.289 18 2HD PRO 2 3HD PRO 2 4.778 -28.726 -5.902 19 H THR 3 H THR 3 6.709 -25.268 -1.879 20 HA THR 3 HA THR 3 4.706 -25.169 0.142 21 HB THR 3 HB THR 3 5.654 -22.943 0.653 22 HG1 THR 3 HG1 THR 3 6.635 -21.894 -0.858 23 1HG2 THR 3 1HG2 THR 3 7.897 -24.824 -0.054 24 2HG2 THR 3 2HG2 THR 3 7.805 -23.692 1.295 25 3HG2 THR 3 3HG2 THR 3 6.793 -25.135 1.286 26 H GLU 4 H GLU 4 5.122 -22.118 -1.177 27 HA GLU 4 HA GLU 4 3.766 -20.607 -2.161 28 1HB GLU 4 2HB GLU 4 3.790 -22.675 -3.898 29 2HB GLU 4 3HB GLU 4 2.068 -22.623 -3.520 30 1HG GLU 4 2HG GLU 4 2.190 -21.108 -5.288 31 2HG GLU 4 3HG GLU 4 2.339 -20.038 -3.898 32 H ASN 5 H ASN 5 2.822 -22.578 0.187 33 HA ASN 5 HA ASN 5 -0.001 -22.410 0.197 34 1HB ASN 5 2HB ASN 5 0.333 -23.774 1.941 35 2HB ASN 5 3HB ASN 5 2.052 -23.400 1.930 36 1HD2 ASN 5 2HD2 ASN 5 2.760 -22.567 3.886 37 2HD2 ASN 5 1HD2 ASN 5 1.816 -21.649 4.959 38 HA PRO 6 HA PRO 6 0.551 -18.357 2.655 39 1HB PRO 6 2HB PRO 6 3.278 -17.426 2.516 40 2HB PRO 6 3HB PRO 6 2.382 -17.967 3.943 41 1HG PRO 6 2HG PRO 6 4.526 -19.285 2.827 42 2HG PRO 6 3HG PRO 6 3.318 -20.020 3.892 43 1HD PRO 6 2HD PRO 6 3.544 -20.173 0.908 44 2HD PRO 6 3HD PRO 6 2.990 -21.405 2.064 45 H THR 7 H THR 7 -0.579 -17.572 0.840 46 HA THR 7 HA THR 7 0.742 -16.667 -1.539 47 HB THR 7 HB THR 7 -1.424 -15.937 -2.255 48 HG1 THR 7 HG1 THR 7 -2.069 -14.824 -0.426 49 1HG2 THR 7 1HG2 THR 7 -0.981 -18.444 -1.899 50 2HG2 THR 7 2HG2 THR 7 -2.001 -18.301 -0.467 51 3HG2 THR 7 3HG2 THR 7 -2.665 -17.950 -2.063 52 H MET 8 H MET 8 -0.129 -14.282 -2.228 53 HA MET 8 HA MET 8 1.538 -12.437 -1.009 54 1HB MET 8 2HB MET 8 -1.003 -12.075 -2.597 55 2HB MET 8 3HB MET 8 -0.053 -10.704 -2.028 56 1HG MET 8 2HG MET 8 0.758 -11.140 -4.220 57 2HG MET 8 3HG MET 8 1.963 -11.842 -3.141 58 1HE MET 8 1HE MET 8 2.395 -15.212 -4.352 59 2HE MET 8 2HE MET 8 2.516 -14.245 -2.884 60 3HE MET 8 3HE MET 8 3.074 -13.579 -4.415 61 H PHE 9 H PHE 9 -1.937 -12.954 -0.458 62 HA PHE 9 HA PHE 9 -2.613 -11.046 1.343 63 1HB PHE 9 2HB PHE 9 -3.906 -13.165 0.505 64 2HB PHE 9 3HB PHE 9 -3.310 -13.894 1.995 65 HD1 PHE 9 HD1 PHE 9 -5.437 -11.245 0.558 66 HD2 PHE 9 HD2 PHE 9 -4.078 -13.122 4.176 67 HE1 PHE 9 HE1 PHE 9 -7.227 -10.094 1.827 68 HE2 PHE 9 HE2 PHE 9 -5.868 -11.968 5.445 69 HZ PHE 9 HZ PHE 9 -7.444 -10.455 4.271 70 H ASP 10 H ASP 10 -0.737 -13.965 2.040 71 HA ASP 10 HA ASP 10 -0.536 -13.638 4.829 72 1HB ASP 10 2HB ASP 10 0.026 -15.739 3.701 73 2HB ASP 10 3HB ASP 10 1.399 -14.964 2.917 74 H GLN 11 H GLN 11 1.890 -12.861 2.317 75 HA GLN 11 HA GLN 11 3.697 -11.555 4.031 76 1HB GLN 11 2HB GLN 11 3.346 -11.849 1.128 77 2HB GLN 11 3HB GLN 11 4.107 -10.328 1.597 78 1HG GLN 11 2HG GLN 11 5.723 -12.244 1.230 79 2HG GLN 11 3HG GLN 11 5.838 -11.481 2.817 80 1HE2 GLN 11 2HE2 GLN 11 3.179 -13.625 1.907 81 2HE2 GLN 11 1HE2 GLN 11 3.581 -14.856 2.988 82 H VAL 12 H VAL 12 1.486 -10.040 1.680 83 HA VAL 12 HA VAL 12 1.890 -7.418 2.303 84 HB VAL 12 HB VAL 12 -0.305 -6.969 1.421 85 1HG1 VAL 12 1HG1 VAL 12 -0.108 -8.118 -0.642 86 2HG1 VAL 12 2HG1 VAL 12 1.532 -7.979 -0.009 87 3HG1 VAL 12 3HG1 VAL 12 0.662 -9.504 0.125 88 1HG2 VAL 12 1HG2 VAL 12 -0.830 -9.846 2.169 89 2HG2 VAL 12 2HG2 VAL 12 -1.781 -8.422 2.586 90 3HG2 VAL 12 3HG2 VAL 12 -1.789 -9.037 0.934 91 H ALA 13 H ALA 13 -0.725 -9.372 3.755 92 HA ALA 13 HA ALA 13 -1.494 -7.523 5.630 93 1HB ALA 13 1HB ALA 13 -1.449 -10.535 5.931 94 2HB ALA 13 2HB ALA 13 -2.389 -9.426 6.930 95 3HB ALA 13 3HB ALA 13 -2.751 -9.586 5.212 96 H GLU 14 H GLU 14 1.053 -9.960 5.786 97 HA GLU 14 HA GLU 14 1.803 -9.545 8.486 98 1HB GLU 14 2HB GLU 14 2.425 -11.522 7.065 99 2HB GLU 14 3HB GLU 14 3.605 -10.495 6.254 100 1HG GLU 14 2HG GLU 14 3.558 -10.786 9.260 101 2HG GLU 14 3HG GLU 14 4.442 -11.917 8.239 102 H VAL 15 H VAL 15 3.545 -8.493 5.546 103 HA VAL 15 HA VAL 15 5.369 -6.856 6.911 104 HB VAL 15 HB VAL 15 5.729 -5.803 4.624 105 1HG1 VAL 15 1HG1 VAL 15 6.887 -7.869 5.584 106 2HG1 VAL 15 2HG1 VAL 15 5.755 -8.832 4.634 107 3HG1 VAL 15 3HG1 VAL 15 6.883 -7.744 3.825 108 1HG2 VAL 15 1HG2 VAL 15 4.333 -7.913 3.212 109 2HG2 VAL 15 2HG2 VAL 15 3.191 -6.948 4.141 110 3HG2 VAL 15 3HG2 VAL 15 4.243 -6.171 2.963 111 H ILE 16 H ILE 16 2.289 -6.001 5.317 112 HA ILE 16 HA ILE 16 2.449 -3.231 5.638 113 HB ILE 16 HB ILE 16 0.026 -5.047 5.699 114 1HG1 ILE 16 2HG1 ILE 16 0.872 -3.197 3.475 115 2HG1 ILE 16 3HG1 ILE 16 1.625 -4.783 3.629 116 1HG2 ILE 16 1HG2 ILE 16 0.284 -2.030 5.625 117 2HG2 ILE 16 2HG2 ILE 16 -1.164 -2.867 5.064 118 3HG2 ILE 16 3HG2 ILE 16 -0.659 -3.009 6.748 119 1HD1 ILE 16 1HD1 ILE 16 -1.309 -4.166 3.238 120 2HD1 ILE 16 2HD1 ILE 16 -0.244 -5.067 2.160 121 3HD1 ILE 16 3HD1 ILE 16 -0.723 -5.759 3.708 122 H GLU 17 H GLU 17 0.968 -5.631 7.833 123 HA GLU 17 HA GLU 17 0.216 -3.889 9.878 124 1HB GLU 17 2HB GLU 17 1.023 -6.792 9.877 125 2HB GLU 17 3HB GLU 17 0.563 -5.965 11.365 126 1HG GLU 17 2HG GLU 17 -1.619 -5.459 10.520 127 2HG GLU 17 3HG GLU 17 -1.170 -5.942 8.885 128 H ARG 18 H ARG 18 3.341 -5.395 9.215 129 HA ARG 18 HA ARG 18 4.612 -4.631 11.641 130 1HB ARG 18 2HB ARG 18 5.433 -6.394 10.046 131 2HB ARG 18 3HB ARG 18 5.926 -5.098 8.956 132 1HG ARG 18 2HG ARG 18 7.706 -4.501 10.256 133 2HG ARG 18 3HG ARG 18 6.837 -4.803 11.760 134 1HD ARG 18 2HD ARG 18 7.341 -7.080 11.754 135 2HD ARG 18 3HD ARG 18 7.606 -7.121 10.012 136 HE ARG 18 HE ARG 18 9.564 -5.450 11.118 137 1HH1 ARG 18 1HH2 ARG 18 8.517 -8.669 11.767 138 2HH1 ARG 18 2HH2 ARG 18 10.116 -9.329 11.836 139 1HH2 ARG 18 1HH1 ARG 18 11.670 -6.355 10.971 140 2HH2 ARG 18 2HH1 ARG 18 11.900 -8.019 11.391 141 H LEU 19 H LEU 19 4.723 -3.235 8.373 142 HA LEU 19 HA LEU 19 6.199 -0.913 9.201 143 1HB LEU 19 2HB LEU 19 4.938 -1.864 6.657 144 2HB LEU 19 3HB LEU 19 5.398 -0.167 6.803 145 HG LEU 19 HG LEU 19 7.698 -0.803 7.362 146 1HD1 LEU 19 1HD1 LEU 19 7.414 -2.851 8.562 147 2HD1 LEU 19 2HD1 LEU 19 6.573 -3.608 7.210 148 3HD1 LEU 19 3HD1 LEU 19 8.300 -3.275 7.098 149 1HD2 LEU 19 1HD2 LEU 19 7.465 -0.553 5.034 150 2HD2 LEU 19 2HD2 LEU 19 8.187 -2.155 5.183 151 3HD2 LEU 19 3HD2 LEU 19 6.456 -1.993 4.885 152 H ARG 20 H ARG 20 2.879 -1.786 9.108 153 HA ARG 20 HA ARG 20 1.349 0.337 8.623 154 1HB ARG 20 2HB ARG 20 0.311 -1.588 9.539 155 2HB ARG 20 3HB ARG 20 1.231 -1.468 11.034 156 1HG ARG 20 2HG ARG 20 0.023 0.454 11.754 157 2HG ARG 20 3HG ARG 20 -0.661 0.717 10.150 158 1HD ARG 20 2HD ARG 20 -1.257 -1.638 11.966 159 2HD ARG 20 3HD ARG 20 -2.334 -0.279 11.656 160 HE ARG 20 HE ARG 20 -2.034 -2.566 10.007 161 1HH1 ARG 20 1HH2 ARG 20 -0.820 -0.535 8.181 162 2HH1 ARG 20 2HH2 ARG 20 -2.199 0.101 7.348 163 1HH2 ARG 20 1HH1 ARG 20 -4.483 -1.126 9.653 164 2HH2 ARG 20 2HH1 ARG 20 -4.276 -0.234 8.183 165 HA PRO 21 HA PRO 21 2.214 2.405 13.058 166 1HB PRO 21 2HB PRO 21 5.037 1.934 13.422 167 2HB PRO 21 3HB PRO 21 3.701 1.481 14.493 168 1HG PRO 21 2HG PRO 21 5.164 -0.141 12.543 169 2HG PRO 21 3HG PRO 21 4.201 -0.645 13.939 170 1HD PRO 21 2HD PRO 21 3.362 -1.027 11.382 171 2HD PRO 21 3HD PRO 21 2.229 -0.733 12.720 172 H PHE 22 H PHE 22 4.594 1.998 10.479 173 HA PHE 22 HA PHE 22 5.527 4.725 10.583 174 1HB PHE 22 2HB PHE 22 6.805 2.649 9.728 175 2HB PHE 22 3HB PHE 22 5.867 2.851 8.249 176 HD1 PHE 22 HD1 PHE 22 8.672 4.049 10.196 177 HD2 PHE 22 HD2 PHE 22 5.953 5.080 7.033 178 HE1 PHE 22 HE1 PHE 22 10.217 5.839 9.449 179 HE2 PHE 22 HE2 PHE 22 7.497 6.871 6.289 180 HZ PHE 22 HZ PHE 22 9.630 7.249 7.495 181 H LEU 23 H LEU 23 3.518 2.822 8.322 182 HA LEU 23 HA LEU 23 2.863 4.922 6.572 183 1HB LEU 23 2HB LEU 23 1.554 2.310 7.281 184 2HB LEU 23 3HB LEU 23 0.685 3.468 6.280 185 HG LEU 23 HG LEU 23 2.015 1.797 4.957 186 1HD1 LEU 23 1HD1 LEU 23 3.287 4.459 4.462 187 2HD1 LEU 23 2HD1 LEU 23 2.535 3.345 3.322 188 3HD1 LEU 23 3HD1 LEU 23 1.530 4.347 4.369 189 1HD2 LEU 23 1HD2 LEU 23 4.401 1.837 4.979 190 2HD2 LEU 23 2HD2 LEU 23 4.442 3.312 5.944 191 3HD2 LEU 23 3HD2 LEU 23 3.920 1.793 6.674 192 H LEU 24 H LEU 24 1.244 3.719 9.485 193 HA LEU 24 HA LEU 24 -1.006 5.339 9.487 194 1HB LEU 24 2HB LEU 24 0.046 3.472 11.184 195 2HB LEU 24 3HB LEU 24 0.239 4.948 12.129 196 HG LEU 24 HG LEU 24 -2.352 4.082 10.814 197 1HD1 LEU 24 1HD1 LEU 24 -1.793 2.529 12.598 198 2HD1 LEU 24 2HD1 LEU 24 -1.394 3.861 13.683 199 3HD1 LEU 24 3HD1 LEU 24 -3.063 3.608 13.172 200 1HD2 LEU 24 1HD2 LEU 24 -3.172 5.823 12.598 201 2HD2 LEU 24 2HD2 LEU 24 -1.508 6.399 12.544 202 3HD2 LEU 24 3HD2 LEU 24 -2.492 6.410 11.081 203 H ARG 25 H ARG 25 2.234 6.025 10.745 204 HA ARG 25 HA ARG 25 1.716 8.478 11.965 205 1HB ARG 25 2HB ARG 25 4.182 7.368 10.631 206 2HB ARG 25 3HB ARG 25 4.170 8.955 11.399 207 1HG ARG 25 2HG ARG 25 3.114 6.589 12.916 208 2HG ARG 25 3HG ARG 25 4.858 6.824 12.794 209 1HD ARG 25 2HD ARG 25 3.126 9.145 13.575 210 2HD ARG 25 3HD ARG 25 3.507 7.919 14.780 211 HE ARG 25 HE ARG 25 5.944 8.517 13.735 212 1HH1 ARG 25 1HH2 ARG 25 3.709 10.997 13.742 213 2HH1 ARG 25 2HH2 ARG 25 4.551 12.016 14.863 214 1HH2 ARG 25 1HH1 ARG 25 6.876 9.594 15.729 215 2HH2 ARG 25 2HH1 ARG 25 6.344 11.222 15.986 216 H ASP 26 H ASP 26 3.140 8.029 8.705 217 HA ASP 26 HA ASP 26 2.226 10.747 8.034 218 1HB ASP 26 2HB ASP 26 4.323 8.936 6.856 219 2HB ASP 26 3HB ASP 26 3.777 10.397 6.037 220 H GLY 27 H GLY 27 2.388 7.545 6.444 221 1HA GLY 27 1HA GLY 27 0.667 8.305 4.299 222 2HA GLY 27 2HA GLY 27 1.178 6.670 4.689 223 H GLY 28 H GLY 28 -0.183 8.037 7.425 224 1HA GLY 28 1HA GLY 28 -2.181 7.708 8.523 225 2HA GLY 28 2HA GLY 28 -2.955 7.851 6.947 226 H ASP 29 H ASP 29 -4.421 6.176 7.835 227 HA ASP 29 HA ASP 29 -3.298 3.494 8.110 228 1HB ASP 29 2HB ASP 29 -6.019 4.713 8.505 229 2HB ASP 29 3HB ASP 29 -5.842 2.964 8.371 230 H CYS 30 H CYS 30 -3.624 1.814 6.722 231 HA CYS 30 HA CYS 30 -4.996 2.386 4.167 232 1HB CYS 30 2HB CYS 30 -3.231 1.045 3.031 233 2HB CYS 30 3HB CYS 30 -2.603 2.527 3.754 234 HG CYS 30 HG CYS 30 -0.986 0.873 4.742 235 H THR 31 H THR 31 -5.828 0.483 3.078 236 HA THR 31 HA THR 31 -5.899 -1.998 4.620 237 HB THR 31 HB THR 31 -8.471 -0.602 3.856 238 HG1 THR 31 HG1 THR 31 -7.327 -0.925 6.425 239 1HG2 THR 31 1HG2 THR 31 -7.845 -3.052 5.530 240 2HG2 THR 31 2HG2 THR 31 -9.447 -2.339 5.350 241 3HG2 THR 31 3HG2 THR 31 -8.633 -3.040 3.952 242 H LEU 32 H LEU 32 -5.553 -3.588 3.242 243 HA LEU 32 HA LEU 32 -5.902 -3.255 0.392 244 1HB LEU 32 2HB LEU 32 -4.039 -4.580 1.500 245 2HB LEU 32 3HB LEU 32 -5.247 -5.800 1.896 246 HG LEU 32 HG LEU 32 -5.181 -4.878 -0.934 247 1HD1 LEU 32 1HD1 LEU 32 -2.806 -5.052 -0.565 248 2HD1 LEU 32 2HD1 LEU 32 -3.002 -6.555 0.337 249 3HD1 LEU 32 3HD1 LEU 32 -3.314 -6.521 -1.398 250 1HD2 LEU 32 1HD2 LEU 32 -6.754 -6.601 -0.300 251 2HD2 LEU 32 2HD2 LEU 32 -5.487 -7.374 -1.250 252 3HD2 LEU 32 3HD2 LEU 32 -5.492 -7.530 0.506 253 H VAL 33 H VAL 33 -7.788 -3.568 -0.622 254 HA VAL 33 HA VAL 33 -9.916 -5.045 0.743 255 HB VAL 33 HB VAL 33 -10.401 -2.811 -0.189 256 1HG1 VAL 33 1HG1 VAL 33 -10.451 -2.463 -2.593 257 2HG1 VAL 33 2HG1 VAL 33 -8.837 -3.013 -2.142 258 3HG1 VAL 33 3HG1 VAL 33 -9.977 -4.135 -2.884 259 1HG2 VAL 33 1HG2 VAL 33 -11.871 -4.943 -1.756 260 2HG2 VAL 33 2HG2 VAL 33 -12.124 -4.686 -0.030 261 3HG2 VAL 33 3HG2 VAL 33 -12.500 -3.400 -1.178 262 H ASP 34 H ASP 34 -7.859 -5.299 -2.111 263 HA ASP 34 HA ASP 34 -8.530 -8.083 -2.383 264 1HB ASP 34 2HB ASP 34 -10.425 -6.730 -3.533 265 2HB ASP 34 3HB ASP 34 -9.225 -6.420 -4.786 266 H VAL 35 H VAL 35 -7.057 -9.213 -3.545 267 HA VAL 35 HA VAL 35 -4.787 -7.684 -4.663 268 HB VAL 35 HB VAL 35 -4.299 -9.147 -2.685 269 1HG1 VAL 35 1HG1 VAL 35 -4.415 -11.544 -2.890 270 2HG1 VAL 35 2HG1 VAL 35 -5.999 -10.910 -3.335 271 3HG1 VAL 35 3HG1 VAL 35 -4.875 -11.434 -4.590 272 1HG2 VAL 35 1HG2 VAL 35 -3.037 -10.043 -5.296 273 2HG2 VAL 35 2HG2 VAL 35 -2.564 -8.616 -4.377 274 3HG2 VAL 35 3HG2 VAL 35 -2.332 -10.222 -3.690 275 H GLU 36 H GLU 36 -4.027 -8.183 -6.710 276 HA GLU 36 HA GLU 36 -5.009 -10.452 -8.184 277 1HB GLU 36 2HB GLU 36 -6.883 -8.655 -8.205 278 2HB GLU 36 3HB GLU 36 -5.824 -7.793 -9.321 279 1HG GLU 36 2HG GLU 36 -5.706 -9.930 -10.690 280 2HG GLU 36 3HG GLU 36 -6.986 -10.570 -9.662 281 H ASP 37 H ASP 37 -2.968 -10.984 -8.736 282 HA ASP 37 HA ASP 37 -0.906 -10.892 -9.746 283 1HB ASP 37 2HB ASP 37 -2.501 -9.193 -11.678 284 2HB ASP 37 3HB ASP 37 -0.929 -9.910 -12.021 285 H GLY 38 H GLY 38 -1.790 -7.707 -10.921 286 1HA GLY 38 1HA GLY 38 0.221 -6.493 -9.120 287 2HA GLY 38 2HA GLY 38 0.186 -6.126 -10.839 288 H ILE 39 H ILE 39 -2.921 -6.432 -10.423 289 HA ILE 39 HA ILE 39 -3.358 -3.585 -10.005 290 HB ILE 39 HB ILE 39 -5.408 -5.715 -10.653 291 1HG1 ILE 39 2HG1 ILE 39 -5.028 -4.672 -13.035 292 2HG1 ILE 39 3HG1 ILE 39 -3.449 -4.223 -12.392 293 1HG2 ILE 39 1HG2 ILE 39 -5.325 -2.700 -11.000 294 2HG2 ILE 39 2HG2 ILE 39 -6.593 -3.741 -11.648 295 3HG2 ILE 39 3HG2 ILE 39 -6.370 -3.604 -9.904 296 1HD1 ILE 39 1HD1 ILE 39 -4.035 -6.651 -13.541 297 2HD1 ILE 39 2HD1 ILE 39 -2.694 -6.364 -12.433 298 3HD1 ILE 39 3HD1 ILE 39 -4.217 -7.012 -11.825 299 H VAL 40 H VAL 40 -2.559 -4.152 -7.686 300 HA VAL 40 HA VAL 40 -4.527 -5.334 -5.940 301 HB VAL 40 HB VAL 40 -1.776 -4.336 -5.710 302 1HG1 VAL 40 1HG1 VAL 40 -2.029 -4.022 -3.196 303 2HG1 VAL 40 2HG1 VAL 40 -2.668 -2.708 -4.182 304 3HG1 VAL 40 3HG1 VAL 40 -3.766 -3.890 -3.466 305 1HG2 VAL 40 1HG2 VAL 40 -3.227 -6.285 -3.925 306 2HG2 VAL 40 2HG2 VAL 40 -2.772 -6.730 -5.570 307 3HG2 VAL 40 3HG2 VAL 40 -1.529 -6.283 -4.401 308 H LYS 41 H LYS 41 -6.193 -4.377 -5.031 309 HA LYS 41 HA LYS 41 -6.574 -1.499 -5.329 310 1HB LYS 41 2HB LYS 41 -8.339 -3.765 -4.404 311 2HB LYS 41 3HB LYS 41 -8.823 -2.077 -4.246 312 1HG LYS 41 2HG LYS 41 -8.848 -1.735 -6.575 313 2HG LYS 41 3HG LYS 41 -7.860 -3.162 -6.888 314 1HD LYS 41 2HD LYS 41 -9.699 -4.624 -6.194 315 2HD LYS 41 3HD LYS 41 -10.688 -3.221 -5.787 316 1HE LYS 41 2HE LYS 41 -10.917 -2.575 -8.047 317 2HE LYS 41 3HE LYS 41 -9.550 -3.565 -8.562 318 1HZ LYS 41 1HZ LYS 41 -12.080 -4.322 -8.817 319 1HZ LYS 41 1HZ LYS 41 -11.746 -4.978 -7.287 320 3HZ LYS 41 3HZ LYS 41 -10.799 -5.417 -8.628 321 H LEU 42 H LEU 42 -6.896 -0.083 -3.567 322 HA LEU 42 HA LEU 42 -6.339 -1.116 -0.875 323 1HB LEU 42 2HB LEU 42 -4.570 0.663 -2.469 324 2HB LEU 42 3HB LEU 42 -4.801 1.091 -0.774 325 HG LEU 42 HG LEU 42 -4.186 -1.761 -1.492 326 1HD1 LEU 42 1HD1 LEU 42 -1.778 -1.271 -1.343 327 2HD1 LEU 42 2HD1 LEU 42 -2.506 -0.397 -2.691 328 3HD1 LEU 42 3HD1 LEU 42 -2.131 0.451 -1.192 329 1HD2 LEU 42 1HD2 LEU 42 -3.352 -0.023 0.851 330 2HD2 LEU 42 2HD2 LEU 42 -4.815 -1.004 0.837 331 3HD2 LEU 42 3HD2 LEU 42 -3.234 -1.779 0.737 332 H GLN 43 H GLN 43 -6.604 0.632 0.787 333 HA GLN 43 HA GLN 43 -8.438 2.780 -0.021 334 1HB GLN 43 2HB GLN 43 -9.089 0.463 1.746 335 2HB GLN 43 3HB GLN 43 -9.711 2.047 2.206 336 1HG GLN 43 2HG GLN 43 -11.413 1.220 0.826 337 2HG GLN 43 3HG GLN 43 -10.472 2.215 -0.280 338 1HE2 GLN 43 2HE2 GLN 43 -11.395 0.759 -2.016 339 2HE2 GLN 43 1HE2 GLN 43 -10.651 -0.739 -2.299 340 H LEU 44 H LEU 44 -7.702 4.606 0.814 341 HA LEU 44 HA LEU 44 -5.772 4.552 2.990 342 1HB LEU 44 2HB LEU 44 -5.938 6.099 0.787 343 2HB LEU 44 3HB LEU 44 -6.775 7.140 1.938 344 HG LEU 44 HG LEU 44 -4.839 6.922 3.496 345 1HD1 LEU 44 1HD1 LEU 44 -3.561 5.075 3.119 346 2HD1 LEU 44 2HD1 LEU 44 -4.006 4.998 1.414 347 3HD1 LEU 44 3HD1 LEU 44 -2.731 6.096 1.945 348 1HD2 LEU 44 1HD2 LEU 44 -4.881 8.864 2.078 349 2HD2 LEU 44 2HD2 LEU 44 -3.228 8.249 2.047 350 3HD2 LEU 44 3HD2 LEU 44 -4.312 7.937 0.690 351 H HIS 45 H HIS 45 -5.973 6.248 4.720 352 HA HIS 45 HA HIS 45 -8.613 7.068 5.530 353 1HB HIS 45 2HB HIS 45 -7.384 4.605 6.637 354 2HB HIS 45 3HB HIS 45 -8.058 5.725 7.819 355 HD1 HIS 45 HD1 HIS 45 -10.604 6.630 7.037 356 HD2 HIS 45 HD2 HIS 45 -9.326 2.918 5.634 357 HE1 HIS 45 HE1 HIS 45 -12.685 5.384 6.306 358 H GLY 46 H GLY 46 -7.232 8.996 5.263 359 1HA GLY 46 1HA GLY 46 -6.316 9.953 7.803 360 2HA GLY 46 2HA GLY 46 -4.980 9.680 6.686 361 H ALA 47 H ALA 47 -8.181 10.621 5.645 362 HA ALA 47 HA ALA 47 -7.143 12.927 4.262 363 1HB ALA 47 1HB ALA 47 -8.922 11.553 3.274 364 2HB ALA 47 2HB ALA 47 -9.990 11.961 4.617 365 3HB ALA 47 3HB ALA 47 -9.463 13.216 3.496 366 H CYS 48 H CYS 48 -7.798 12.482 7.424 367 HA CYS 48 HA CYS 48 -9.407 14.744 8.070 368 1HB CYS 48 2HB CYS 48 -9.052 12.790 9.582 369 2HB CYS 48 3HB CYS 48 -7.390 13.321 9.822 370 HG CYS 48 HG CYS 48 -9.335 14.296 11.593 371 H GLY 49 H GLY 49 -8.260 16.230 6.566 372 1HA GLY 49 1HA GLY 49 -6.594 18.036 8.011 373 2HA GLY 49 2HA GLY 49 -5.657 17.148 6.810 374 H THR 50 H THR 50 -9.039 18.065 6.526 375 HA THR 50 HA THR 50 -10.151 19.148 4.828 376 HB THR 50 HB THR 50 -9.528 21.512 4.607 377 HG1 THR 50 HG1 THR 50 -7.473 21.877 4.690 378 1HG2 THR 50 1HG2 THR 50 -9.369 21.998 7.145 379 2HG2 THR 50 2HG2 THR 50 -10.771 21.097 6.569 380 3HG2 THR 50 3HG2 THR 50 -9.432 20.248 7.343 381 H CYS 51 H CYS 51 -9.262 17.411 3.369 382 HA CYS 51 HA CYS 51 -8.401 16.759 1.345 383 1HB CYS 51 2HB CYS 51 -8.284 19.695 0.653 384 2HB CYS 51 3HB CYS 51 -8.540 18.328 -0.430 385 HG CYS 51 HG CYS 51 -10.740 18.399 1.629 386 HA PRO 52 HA PRO 52 -4.101 17.785 2.659 387 1HB PRO 52 2HB PRO 52 -3.500 14.972 2.485 388 2HB PRO 52 3HB PRO 52 -3.562 15.993 3.927 389 1HG PRO 52 2HG PRO 52 -5.342 13.965 3.278 390 2HG PRO 52 3HG PRO 52 -5.595 15.226 4.491 391 1HD PRO 52 2HD PRO 52 -6.758 14.981 1.776 392 2HD PRO 52 3HD PRO 52 -7.378 15.845 3.199 393 H SER 53 H SER 53 -2.952 18.564 1.003 394 HA SER 53 HA SER 53 -3.008 17.322 -1.618 395 1HB SER 53 2HB SER 53 -1.582 19.235 -2.266 396 2HB SER 53 3HB SER 53 -3.040 19.763 -1.429 397 HG SER 53 HG SER 53 -1.266 20.815 -0.551 398 H SER 54 H SER 54 -1.053 17.225 1.199 399 HA SER 54 HA SER 54 1.402 16.457 -0.094 400 1HB SER 54 2HB SER 54 2.319 16.431 2.022 401 2HB SER 54 3HB SER 54 0.958 17.513 2.291 402 HG SER 54 HG SER 54 0.980 15.918 3.875 403 H THR 55 H THR 55 -1.237 14.761 1.578 404 HA THR 55 HA THR 55 -0.191 12.186 1.646 405 HB THR 55 HB THR 55 -3.064 12.970 1.080 406 HG1 THR 55 HG1 THR 55 -1.695 12.482 3.513 407 1HG2 THR 55 1HG2 THR 55 -1.832 10.454 2.238 408 2HG2 THR 55 2HG2 THR 55 -3.561 10.791 2.161 409 3HG2 THR 55 3HG2 THR 55 -2.634 10.592 0.673 410 H ILE 56 H ILE 56 -1.863 13.860 -0.989 411 HA ILE 56 HA ILE 56 -1.998 11.718 -2.812 412 HB ILE 56 HB ILE 56 -1.521 14.519 -3.773 413 1HG1 ILE 56 2HG1 ILE 56 -2.967 14.938 -1.889 414 2HG1 ILE 56 3HG1 ILE 56 -3.981 14.956 -3.328 415 1HG2 ILE 56 1HG2 ILE 56 -3.042 13.898 -5.487 416 2HG2 ILE 56 2HG2 ILE 56 -2.036 12.471 -5.239 417 3HG2 ILE 56 3HG2 ILE 56 -3.661 12.534 -4.556 418 1HD1 ILE 56 1HD1 ILE 56 -5.255 13.565 -2.002 419 2HD1 ILE 56 2HD1 ILE 56 -4.209 12.355 -2.745 420 3HD1 ILE 56 3HD1 ILE 56 -3.860 12.948 -1.121 421 H THR 57 H THR 57 0.474 14.212 -2.307 422 HA THR 57 HA THR 57 2.219 13.380 -4.377 423 HB THR 57 HB THR 57 2.682 14.952 -1.833 424 HG1 THR 57 HG1 THR 57 1.485 16.050 -3.322 425 1HG2 THR 57 1HG2 THR 57 4.846 14.202 -2.236 426 2HG2 THR 57 2HG2 THR 57 4.579 14.044 -3.973 427 3HG2 THR 57 3HG2 THR 57 4.799 15.640 -3.255 428 H LEU 58 H LEU 58 2.131 12.638 -0.889 429 HA LEU 58 HA LEU 58 4.435 11.047 -0.771 430 1HB LEU 58 2HB LEU 58 3.096 11.871 1.197 431 2HB LEU 58 3HB LEU 58 1.901 10.625 0.835 432 HG LEU 58 HG LEU 58 3.744 8.911 1.012 433 1HD1 LEU 58 1HD1 LEU 58 5.713 9.920 2.480 434 2HD1 LEU 58 2HD1 LEU 58 5.777 9.993 0.720 435 3HD1 LEU 58 3HD1 LEU 58 5.276 11.409 1.644 436 1HD2 LEU 58 1HD2 LEU 58 2.180 9.465 2.895 437 2HD2 LEU 58 2HD2 LEU 58 3.756 8.899 3.445 438 3HD2 LEU 58 3HD2 LEU 58 3.372 10.620 3.493 439 H LYS 59 H LYS 59 1.038 10.077 -1.277 440 HA LYS 59 HA LYS 59 1.363 7.341 -1.576 441 1HB LYS 59 2HB LYS 59 -0.841 8.385 -1.536 442 2HB LYS 59 3HB LYS 59 -0.516 9.192 -3.070 443 1HG LYS 59 2HG LYS 59 -0.341 7.022 -4.205 444 2HG LYS 59 3HG LYS 59 -0.586 6.183 -2.673 445 1HD LYS 59 2HD LYS 59 -2.742 6.168 -3.567 446 2HD LYS 59 3HD LYS 59 -2.788 7.612 -2.556 447 1HE LYS 59 2HE LYS 59 -3.650 8.435 -4.559 448 2HE LYS 59 3HE LYS 59 -1.937 8.813 -4.744 449 1HZ LYS 59 1HZ LYS 59 -3.125 6.280 -5.714 450 1HZ LYS 59 1HZ LYS 59 -1.614 6.948 -6.109 451 3HZ LYS 59 3HZ LYS 59 -3.041 7.674 -6.678 452 H ALA 60 H ALA 60 1.559 9.854 -4.095 453 HA ALA 60 HA ALA 60 2.203 8.144 -6.243 454 1HB ALA 60 1HB ALA 60 1.459 10.448 -6.592 455 2HB ALA 60 2HB ALA 60 2.921 11.055 -5.813 456 3HB ALA 60 3HB ALA 60 3.032 10.196 -7.350 457 H GLY 61 H GLY 61 4.132 9.538 -3.687 458 1HA GLY 61 1HA GLY 61 6.699 9.174 -4.854 459 2HA GLY 61 2HA GLY 61 6.362 9.355 -3.134 460 H ILE 62 H ILE 62 5.024 7.267 -2.331 461 HA ILE 62 HA ILE 62 6.862 5.135 -2.324 462 HB ILE 62 HB ILE 62 4.964 3.860 -1.246 463 1HG1 ILE 62 2HG1 ILE 62 3.535 6.494 -1.717 464 2HG1 ILE 62 3HG1 ILE 62 3.078 4.924 -2.372 465 1HG2 ILE 62 1HG2 ILE 62 5.208 5.019 0.789 466 2HG2 ILE 62 2HG2 ILE 62 6.643 5.492 -0.120 467 3HG2 ILE 62 3HG2 ILE 62 5.268 6.591 -0.011 468 1HD1 ILE 62 1HD1 ILE 62 3.079 4.250 0.205 469 2HD1 ILE 62 2HD1 ILE 62 2.791 5.978 0.409 470 3HD1 ILE 62 3HD1 ILE 62 1.671 5.005 -0.543 471 H GLU 63 H GLU 63 3.801 5.597 -4.077 472 HA GLU 63 HA GLU 63 3.449 3.158 -5.280 473 1HB GLU 63 2HB GLU 63 2.081 5.318 -5.557 474 2HB GLU 63 3HB GLU 63 3.204 5.720 -6.855 475 1HG GLU 63 2HG GLU 63 2.671 3.484 -7.899 476 2HG GLU 63 3HG GLU 63 1.417 3.276 -6.678 477 H ARG 64 H ARG 64 5.215 5.829 -6.871 478 HA ARG 64 HA ARG 64 6.350 4.332 -8.929 479 1HB ARG 64 2HB ARG 64 6.310 6.853 -8.704 480 2HB ARG 64 3HB ARG 64 7.672 6.702 -7.593 481 1HG ARG 64 2HG ARG 64 8.949 5.502 -9.366 482 2HG ARG 64 3HG ARG 64 7.603 5.758 -10.477 483 1HD ARG 64 2HD ARG 64 7.888 8.127 -10.431 484 2HD ARG 64 3HD ARG 64 8.967 8.042 -9.043 485 HE ARG 64 HE ARG 64 10.708 7.327 -10.474 486 1HH1 ARG 64 1HH1 ARG 64 7.668 7.581 -12.128 487 2HH1 ARG 64 2HH1 ARG 64 8.382 7.629 -13.706 488 1HH2 ARG 64 1HH2 ARG 64 11.638 7.450 -12.532 489 2HH2 ARG 64 2HH2 ARG 64 10.626 7.553 -13.934 490 H ALA 65 H ALA 65 7.713 5.128 -5.738 491 HA ALA 65 HA ALA 65 10.205 3.886 -6.046 492 1HB ALA 65 1HB ALA 65 8.622 4.043 -3.475 493 2HB ALA 65 2HB ALA 65 10.374 3.957 -3.650 494 3HB ALA 65 3HB ALA 65 9.507 5.406 -4.160 495 H LEU 66 H LEU 66 7.161 2.595 -4.733 496 HA LEU 66 HA LEU 66 8.041 0.039 -4.045 497 1HB LEU 66 2HB LEU 66 5.378 1.159 -4.866 498 2HB LEU 66 3HB LEU 66 5.565 -0.577 -4.613 499 HG LEU 66 HG LEU 66 6.627 1.303 -2.531 500 1HD1 LEU 66 1HD1 LEU 66 4.445 1.374 -1.426 501 2HD1 LEU 66 2HD1 LEU 66 4.316 2.084 -3.034 502 3HD1 LEU 66 3HD1 LEU 66 3.723 0.450 -2.743 503 1HD2 LEU 66 1HD2 LEU 66 6.961 -1.212 -2.513 504 2HD2 LEU 66 2HD2 LEU 66 6.178 -0.566 -1.071 505 3HD2 LEU 66 3HD2 LEU 66 5.216 -1.374 -2.310 506 H HIS 67 H HIS 67 6.748 1.222 -7.142 507 HA HIS 67 HA HIS 67 6.697 -1.179 -8.550 508 1HB HIS 67 2HB HIS 67 7.381 1.592 -9.567 509 2HB HIS 67 3HB HIS 67 6.965 0.216 -10.586 510 HD1 HIS 67 HD1 HIS 67 4.958 2.040 -11.218 511 HD2 HIS 67 HD2 HIS 67 4.717 0.128 -7.521 512 HE1 HIS 67 HE1 HIS 67 2.560 2.277 -10.442 513 H GLU 68 H GLU 68 9.341 1.224 -8.467 514 HA GLU 68 HA GLU 68 11.186 -0.429 -9.875 515 1HB GLU 68 2HB GLU 68 11.418 2.094 -8.261 516 2HB GLU 68 3HB GLU 68 12.863 1.264 -8.839 517 1HG GLU 68 2HG GLU 68 12.049 1.385 -11.146 518 2HG GLU 68 3HG GLU 68 10.551 2.135 -10.600 519 H GLU 69 H GLU 69 10.359 -0.084 -6.495 520 HA GLU 69 HA GLU 69 12.702 -1.547 -5.579 521 1HB GLU 69 2HB GLU 69 11.472 0.346 -4.317 522 2HB GLU 69 3HB GLU 69 10.287 -0.891 -3.904 523 1HG GLU 69 2HG GLU 69 11.757 -1.048 -2.102 524 2HG GLU 69 3HG GLU 69 12.402 -2.281 -3.181 525 H VAL 70 H VAL 70 9.670 -2.334 -6.841 526 HA VAL 70 HA VAL 70 10.029 -5.137 -6.136 527 HB VAL 70 HB VAL 70 7.290 -4.004 -5.647 528 1HG1 VAL 70 1HG1 VAL 70 8.699 -6.241 -4.200 529 2HG1 VAL 70 2HG1 VAL 70 6.970 -6.002 -4.444 530 3HG1 VAL 70 3HG1 VAL 70 7.989 -6.507 -5.791 531 1HG2 VAL 70 1HG2 VAL 70 9.507 -4.134 -3.573 532 2HG2 VAL 70 2HG2 VAL 70 8.824 -2.648 -4.233 533 3HG2 VAL 70 3HG2 VAL 70 7.822 -3.724 -3.260 534 HA PRO 71 HA PRO 71 8.611 -3.769 -10.501 535 1HB PRO 71 2HB PRO 71 10.344 -5.883 -11.412 536 2HB PRO 71 3HB PRO 71 10.515 -4.139 -11.663 537 1HG PRO 71 2HG PRO 71 11.844 -5.879 -9.727 538 2HG PRO 71 3HG PRO 71 12.310 -4.277 -10.313 539 1HD PRO 71 2HD PRO 71 11.382 -4.729 -7.784 540 2HD PRO 71 3HD PRO 71 11.148 -3.188 -8.638 541 H GLY 72 H GLY 72 7.058 -4.819 -11.663 542 1HA GLY 72 1HA GLY 72 6.353 -7.196 -12.371 543 2HA GLY 72 2HA GLY 72 6.153 -7.434 -10.637 544 H VAL 73 H VAL 73 5.249 -4.690 -10.180 545 HA VAL 73 HA VAL 73 2.456 -5.063 -10.513 546 HB VAL 73 HB VAL 73 2.232 -2.906 -9.487 547 1HG1 VAL 73 1HG1 VAL 73 4.788 -4.119 -8.400 548 2HG1 VAL 73 2HG1 VAL 73 3.605 -3.159 -7.512 549 3HG1 VAL 73 3HG1 VAL 73 3.180 -4.773 -8.084 550 1HG2 VAL 73 1HG2 VAL 73 4.481 -1.594 -9.147 551 2HG2 VAL 73 2HG2 VAL 73 5.015 -2.506 -10.556 552 3HG2 VAL 73 3HG2 VAL 73 3.616 -1.438 -10.674 553 H ILE 74 H ILE 74 1.007 -4.096 -11.857 554 HA ILE 74 HA ILE 74 2.146 -2.848 -14.283 555 HB ILE 74 HB ILE 74 -0.565 -3.969 -14.463 556 1HG1 ILE 74 2HG1 ILE 74 1.821 -5.734 -13.835 557 2HG1 ILE 74 3HG1 ILE 74 0.280 -5.671 -12.982 558 1HG2 ILE 74 1HG2 ILE 74 0.983 -3.109 -16.317 559 2HG2 ILE 74 2HG2 ILE 74 1.913 -4.590 -16.084 560 3HG2 ILE 74 3HG2 ILE 74 0.228 -4.678 -16.600 561 1HD1 ILE 74 1HD1 ILE 74 0.893 -6.845 -15.682 562 2HD1 ILE 74 2HD1 ILE 74 0.024 -7.569 -14.329 563 3HD1 ILE 74 3HD1 ILE 74 -0.746 -6.314 -15.302 564 H GLU 75 H GLU 75 -0.241 -2.656 -11.760 565 HA GLU 75 HA GLU 75 -0.663 0.149 -12.207 566 1HB GLU 75 2HB GLU 75 -2.460 -1.734 -13.475 567 2HB GLU 75 3HB GLU 75 -3.325 -0.796 -12.260 568 1HG GLU 75 2HG GLU 75 -1.496 0.532 -14.263 569 2HG GLU 75 3HG GLU 75 -3.183 0.192 -14.642 570 H VAL 76 H VAL 76 -2.411 0.954 -10.618 571 HA VAL 76 HA VAL 76 -2.832 -0.811 -8.333 572 HB VAL 76 HB VAL 76 -0.562 0.275 -8.043 573 1HG1 VAL 76 1HG1 VAL 76 -0.389 2.602 -7.646 574 2HG1 VAL 76 2HG1 VAL 76 -1.433 2.486 -9.062 575 3HG1 VAL 76 3HG1 VAL 76 -2.133 2.792 -7.472 576 1HG2 VAL 76 1HG2 VAL 76 -0.914 0.672 -5.708 577 2HG2 VAL 76 2HG2 VAL 76 -2.590 1.154 -5.970 578 3HG2 VAL 76 3HG2 VAL 76 -2.114 -0.531 -6.177 579 H GLU 77 H GLU 77 -4.303 0.101 -6.751 580 HA GLU 77 HA GLU 77 -5.805 2.471 -7.636 581 1HB GLU 77 2HB GLU 77 -6.989 -0.278 -7.188 582 2HB GLU 77 3HB GLU 77 -7.951 1.198 -7.236 583 1HG GLU 77 2HG GLU 77 -7.036 1.671 -9.514 584 2HG GLU 77 3HG GLU 77 -6.198 0.122 -9.464 585 H GLN 78 H GLN 78 -5.869 3.776 -5.946 586 HA GLN 78 HA GLN 78 -6.282 2.616 -3.256 587 1HB GLN 78 2HB GLN 78 -3.956 3.774 -3.981 588 2HB GLN 78 3HB GLN 78 -4.848 5.211 -3.485 589 1HG GLN 78 2HG GLN 78 -5.475 3.739 -1.389 590 2HG GLN 78 3HG GLN 78 -4.040 2.826 -1.853 591 1HE2 GLN 78 2HE2 GLN 78 -5.081 6.214 -1.185 592 2HE2 GLN 78 1HE2 GLN 78 -3.579 6.702 -0.563 593 H VAL 79 H VAL 79 -8.528 2.949 -3.494 594 HA VAL 79 HA VAL 79 -9.501 5.665 -3.941 595 HB VAL 79 HB VAL 79 -11.711 4.680 -3.941 596 1HG1 VAL 79 1HG1 VAL 79 -10.170 4.381 -5.940 597 2HG1 VAL 79 2HG1 VAL 79 -9.857 2.747 -5.355 598 3HG1 VAL 79 3HG1 VAL 79 -11.489 3.216 -5.832 599 1HG2 VAL 79 1HG2 VAL 79 -10.250 2.292 -2.804 600 2HG2 VAL 79 2HG2 VAL 79 -11.672 3.112 -2.163 601 3HG2 VAL 79 3HG2 VAL 79 -11.807 2.111 -3.610 602 H PHE 80 H PHE 80 -11.483 6.191 -2.434 603 HA PHE 80 HA PHE 80 -10.500 6.024 0.351 604 1HB PHE 80 2HB PHE 80 -12.288 8.115 -0.918 605 2HB PHE 80 3HB PHE 80 -11.677 8.130 0.734 606 HD1 PHE 80 HD1 PHE 80 -11.110 9.355 -2.504 607 HD2 PHE 80 HD2 PHE 80 -9.010 7.783 0.901 608 HE1 PHE 80 HE1 PHE 80 -9.027 10.450 -3.282 609 HE2 PHE 80 HE2 PHE 80 -6.927 8.880 0.121 610 HZ PHE 80 HZ PHE 80 -6.936 10.213 -1.971 611 H LEU 81 H LEU 81 -11.934 5.486 1.992 612 HA LEU 81 HA LEU 81 -14.116 3.795 1.266 613 1HB LEU 81 2HB LEU 81 -12.579 3.744 3.382 614 2HB LEU 81 3HB LEU 81 -13.746 4.888 4.040 615 HG LEU 81 HG LEU 81 -15.484 3.085 3.094 616 1HD1 LEU 81 1HD1 LEU 81 -14.689 0.857 3.126 617 2HD1 LEU 81 2HD1 LEU 81 -13.444 1.738 2.243 618 3HD1 LEU 81 3HD1 LEU 81 -13.189 1.312 3.935 619 1HD2 LEU 81 1HD2 LEU 81 -15.396 3.787 5.422 620 2HD2 LEU 81 2HD2 LEU 81 -15.428 2.025 5.372 621 3HD2 LEU 81 3HD2 LEU 81 -13.911 2.871 5.682 622 H GLU 82 H GLU 82 -15.271 5.409 -0.052 623 HA GLU 82 HA GLU 82 -16.931 6.955 -0.425 624 1HB GLU 82 2HB GLU 82 -17.828 5.722 2.188 625 2HB GLU 82 3HB GLU 82 -18.833 6.805 1.225 626 1HG GLU 82 2HG GLU 82 -17.558 4.444 -0.116 627 2HG GLU 82 3HG GLU 82 -18.984 4.184 0.885 628 H HIS 83 H HIS 83 -14.988 8.479 0.106 629 HA HIS 83 HA HIS 83 -15.482 10.082 2.513 630 1HB HIS 83 2HB HIS 83 -13.247 9.984 0.492 631 2HB HIS 83 3HB HIS 83 -13.392 11.309 1.646 632 HD1 HIS 83 HD1 HIS 83 -14.653 8.246 3.124 633 HD2 HIS 83 HD2 HIS 83 -10.888 9.980 2.670 634 HE1 HIS 83 HE1 HIS 83 -13.130 7.091 4.783 635 H HIS 84 H HIS 84 -17.613 10.664 1.459 636 HA HIS 84 HA HIS 84 -17.329 13.284 0.238 637 1HB HIS 84 2HB HIS 84 -17.367 11.712 -1.709 638 2HB HIS 84 3HB HIS 84 -18.949 11.147 -1.174 639 HD1 HIS 84 HD1 HIS 84 -18.042 14.770 -0.846 640 HD2 HIS 84 HD2 HIS 84 -20.256 12.349 -3.418 641 HE1 HIS 84 HE1 HIS 84 -19.388 16.331 -2.318 642 H HIS 85 H HIS 85 -19.754 10.732 0.842 643 HA HIS 85 HA HIS 85 -21.615 12.736 1.896 644 1HB HIS 85 2HB HIS 85 -22.086 9.760 1.639 645 2HB HIS 85 3HB HIS 85 -23.290 11.042 1.765 646 HD1 HIS 85 HD1 HIS 85 -23.697 12.516 -0.358 647 HD2 HIS 85 HD2 HIS 85 -20.995 9.398 -0.952 648 HE1 HIS 85 HE1 HIS 85 -23.375 12.313 -2.863 649 H HIS 86 H HIS 86 -22.954 10.899 3.675 650 HA HIS 86 HA HIS 86 -20.950 10.338 5.749 651 1HB HIS 86 2HB HIS 86 -23.438 11.975 6.296 652 2HB HIS 86 3HB HIS 86 -22.165 11.559 7.444 653 HD1 HIS 86 HD1 HIS 86 -19.696 12.528 6.778 654 HD2 HIS 86 HD2 HIS 86 -22.962 14.336 4.925 655 HE1 HIS 86 HE1 HIS 86 -18.863 14.733 5.852 656 H HIS 87 H HIS 87 -22.673 9.724 7.807 657 HA HIS 87 HA HIS 87 -23.808 7.218 6.844 658 1HB HIS 87 2HB HIS 87 -23.442 8.367 9.620 659 2HB HIS 87 3HB HIS 87 -24.150 6.786 9.292 660 HD1 HIS 87 HD1 HIS 87 -21.163 8.335 7.523 661 HD2 HIS 87 HD2 HIS 87 -22.032 5.131 10.046 662 HE1 HIS 87 HE1 HIS 87 -19.048 6.953 7.680 663 H HIS 88 H HIS 88 -24.880 10.350 7.262 664 HA HIS 88 HA HIS 88 -26.948 11.339 7.293 665 1HB HIS 88 2HB HIS 88 -28.169 8.665 6.636 666 2HB HIS 88 3HB HIS 88 -28.680 10.271 6.120 667 HD1 HIS 88 HD1 HIS 88 -27.156 11.473 4.308 668 HD2 HIS 88 HD2 HIS 88 -26.237 7.465 4.991 669 HE1 HIS 88 HE1 HIS 88 -25.683 10.739 2.384 Start of MODEL 7 1 1H MET 1 1HT MET 1 6.972 -28.794 -5.542 2 2H MET 1 2HT MET 1 7.337 -30.038 -4.446 3 3H MET 1 3HT MET 1 7.293 -28.424 -3.919 4 HA MET 1 HA MET 1 4.859 -28.484 -4.743 5 1HB MET 1 2HB MET 1 5.179 -30.753 -5.774 6 2HB MET 1 3HB MET 1 5.405 -31.413 -4.155 7 1HG MET 1 2HG MET 1 3.174 -30.924 -3.522 8 2HG MET 1 3HG MET 1 2.947 -29.810 -4.870 9 1HE MET 1 1HE MET 1 3.292 -34.331 -4.885 10 2HE MET 1 2HE MET 1 2.101 -33.584 -3.824 11 3HE MET 1 3HE MET 1 3.800 -33.143 -3.678 12 HA PRO 2 HA PRO 2 5.697 -28.359 -0.191 13 1HB PRO 2 2HB PRO 2 4.853 -25.598 -0.171 14 2HB PRO 2 3HB PRO 2 6.470 -26.253 0.118 15 1HG PRO 2 2HG PRO 2 5.716 -24.742 -2.067 16 2HG PRO 2 3HG PRO 2 7.155 -25.765 -1.966 17 1HD PRO 2 2HD PRO 2 4.560 -26.297 -3.341 18 2HD PRO 2 3HD PRO 2 6.197 -26.852 -3.758 19 H THR 3 H THR 3 3.304 -25.856 -0.768 20 HA THR 3 HA THR 3 1.010 -27.571 -0.440 21 HB THR 3 HB THR 3 1.649 -25.656 1.818 22 HG1 THR 3 HG1 THR 3 1.500 -28.238 2.515 23 1HG2 THR 3 1HG2 THR 3 -0.747 -26.018 1.400 24 2HG2 THR 3 2HG2 THR 3 -0.502 -27.764 1.452 25 3HG2 THR 3 3HG2 THR 3 -0.260 -26.794 2.906 26 H GLU 4 H GLU 4 2.407 -24.338 -0.406 27 HA GLU 4 HA GLU 4 1.692 -22.331 -1.266 28 1HB GLU 4 2HB GLU 4 -0.307 -23.994 -2.822 29 2HB GLU 4 3HB GLU 4 0.247 -22.364 -3.206 30 1HG GLU 4 2HG GLU 4 2.610 -23.344 -3.307 31 2HG GLU 4 3HG GLU 4 1.845 -24.931 -3.284 32 H ASN 5 H ASN 5 0.249 -23.871 1.010 33 HA ASN 5 HA ASN 5 -2.439 -23.090 1.114 34 1HB ASN 5 2HB ASN 5 -0.589 -24.325 2.857 35 2HB ASN 5 3HB ASN 5 -1.230 -22.935 3.731 36 1HD2 ASN 5 2HD2 ASN 5 -3.869 -22.817 2.785 37 2HD2 ASN 5 1HD2 ASN 5 -4.688 -24.241 3.212 38 HA PRO 6 HA PRO 6 -1.021 -19.011 3.155 39 1HB PRO 6 2HB PRO 6 1.831 -18.650 2.870 40 2HB PRO 6 3HB PRO 6 0.900 -18.857 4.361 41 1HG PRO 6 2HG PRO 6 2.701 -20.678 3.344 42 2HG PRO 6 3HG PRO 6 1.427 -21.040 4.517 43 1HD PRO 6 2HD PRO 6 1.492 -21.583 1.578 44 2HD PRO 6 3HD PRO 6 0.728 -22.515 2.885 45 H THR 7 H THR 7 -2.069 -18.298 1.243 46 HA THR 7 HA THR 7 -0.634 -17.825 -1.197 47 HB THR 7 HB THR 7 -2.700 -16.873 -2.005 48 HG1 THR 7 HG1 THR 7 -4.024 -17.100 0.400 49 1HG2 THR 7 1HG2 THR 7 -4.221 -18.708 -1.590 50 2HG2 THR 7 2HG2 THR 7 -2.581 -19.357 -1.628 51 3HG2 THR 7 3HG2 THR 7 -3.396 -19.108 -0.084 52 H MET 8 H MET 8 -1.360 -15.384 -2.081 53 HA MET 8 HA MET 8 0.574 -13.635 -1.131 54 1HB MET 8 2HB MET 8 -1.940 -13.285 -2.725 55 2HB MET 8 3HB MET 8 -1.084 -11.851 -2.159 56 1HG MET 8 2HG MET 8 -0.396 -12.683 -4.462 57 2HG MET 8 3HG MET 8 0.923 -12.488 -3.308 58 1HE MET 8 1HE MET 8 -0.523 -16.194 -5.422 59 2HE MET 8 2HE MET 8 -0.432 -14.513 -5.943 60 3HE MET 8 3HE MET 8 -1.676 -15.005 -4.797 61 H PHE 9 H PHE 9 -2.875 -13.783 -0.293 62 HA PHE 9 HA PHE 9 -3.275 -11.632 1.300 63 1HB PHE 9 2HB PHE 9 -4.804 -13.669 0.799 64 2HB PHE 9 3HB PHE 9 -4.137 -14.336 2.288 65 HD1 PHE 9 HD1 PHE 9 -4.467 -13.162 4.455 66 HD2 PHE 9 HD2 PHE 9 -6.318 -11.786 0.828 67 HE1 PHE 9 HE1 PHE 9 -6.023 -11.758 5.780 68 HE2 PHE 9 HE2 PHE 9 -7.873 -10.384 2.155 69 HZ PHE 9 HZ PHE 9 -7.726 -10.370 4.631 70 H ASP 10 H ASP 10 -1.435 -14.506 2.155 71 HA ASP 10 HA ASP 10 -1.114 -14.013 4.903 72 1HB ASP 10 2HB ASP 10 -0.555 -16.149 3.714 73 2HB ASP 10 3HB ASP 10 0.872 -15.355 3.055 74 H GLN 11 H GLN 11 1.286 -13.446 2.324 75 HA GLN 11 HA GLN 11 3.084 -11.936 3.875 76 1HB GLN 11 2HB GLN 11 2.961 -12.891 1.248 77 2HB GLN 11 3HB GLN 11 3.083 -11.141 1.084 78 1HG GLN 11 2HG GLN 11 4.966 -11.314 2.861 79 2HG GLN 11 3HG GLN 11 4.985 -13.031 2.460 80 1HE2 GLN 11 2HE2 GLN 11 4.193 -12.311 -0.431 81 2HE2 GLN 11 1HE2 GLN 11 5.643 -11.772 -1.127 82 H VAL 12 H VAL 12 0.644 -10.737 1.534 83 HA VAL 12 HA VAL 12 1.150 -8.041 1.835 84 HB VAL 12 HB VAL 12 -1.137 -7.648 1.112 85 1HG1 VAL 12 1HG1 VAL 12 0.569 -8.552 -0.461 86 2HG1 VAL 12 2HG1 VAL 12 -0.063 -10.168 -0.142 87 3HG1 VAL 12 3HG1 VAL 12 -1.090 -8.957 -0.907 88 1HG2 VAL 12 1HG2 VAL 12 -2.568 -9.786 0.785 89 2HG2 VAL 12 2HG2 VAL 12 -1.509 -10.503 1.996 90 3HG2 VAL 12 3HG2 VAL 12 -2.491 -9.097 2.405 91 H ALA 13 H ALA 13 -1.357 -9.871 3.598 92 HA ALA 13 HA ALA 13 -2.043 -7.879 5.360 93 1HB ALA 13 1HB ALA 13 -3.218 -10.074 5.121 94 2HB ALA 13 2HB ALA 13 -1.905 -10.826 6.029 95 3HB ALA 13 3HB ALA 13 -2.931 -9.616 6.800 96 H GLU 14 H GLU 14 0.618 -10.167 5.459 97 HA GLU 14 HA GLU 14 1.532 -9.684 8.082 98 1HB GLU 14 2HB GLU 14 2.233 -11.520 6.375 99 2HB GLU 14 3HB GLU 14 3.418 -10.333 5.836 100 1HG GLU 14 2HG GLU 14 3.097 -11.139 8.736 101 2HG GLU 14 3HG GLU 14 4.226 -11.933 7.642 102 H VAL 15 H VAL 15 2.913 -8.422 5.020 103 HA VAL 15 HA VAL 15 4.719 -6.660 6.213 104 HB VAL 15 HB VAL 15 4.638 -5.386 4.042 105 1HG1 VAL 15 1HG1 VAL 15 4.843 -8.406 3.867 106 2HG1 VAL 15 2HG1 VAL 15 5.560 -7.257 2.736 107 3HG1 VAL 15 3HG1 VAL 15 6.125 -7.322 4.405 108 1HG2 VAL 15 1HG2 VAL 15 3.293 -6.378 2.218 109 2HG2 VAL 15 2HG2 VAL 15 2.565 -7.494 3.367 110 3HG2 VAL 15 3HG2 VAL 15 2.259 -5.765 3.507 111 H ILE 16 H ILE 16 1.329 -6.008 5.264 112 HA ILE 16 HA ILE 16 1.276 -3.267 5.788 113 HB ILE 16 HB ILE 16 -0.920 -5.288 6.329 114 1HG1 ILE 16 2HG1 ILE 16 -0.374 -5.454 4.019 115 2HG1 ILE 16 3HG1 ILE 16 -1.739 -4.348 4.073 116 1HG2 ILE 16 1HG2 ILE 16 -2.385 -3.251 5.962 117 2HG2 ILE 16 2HG2 ILE 16 -1.446 -3.227 7.454 118 3HG2 ILE 16 3HG2 ILE 16 -0.924 -2.270 6.068 119 1HD1 ILE 16 1HD1 ILE 16 1.180 -3.716 3.648 120 2HD1 ILE 16 2HD1 ILE 16 -0.200 -3.281 2.639 121 3HD1 ILE 16 3HD1 ILE 16 0.047 -2.476 4.188 122 H GLU 17 H GLU 17 0.674 -5.970 8.018 123 HA GLU 17 HA GLU 17 0.127 -4.540 10.337 124 1HB GLU 17 2HB GLU 17 -0.039 -7.023 10.057 125 2HB GLU 17 3HB GLU 17 1.718 -7.110 10.175 126 1HG GLU 17 2HG GLU 17 1.686 -6.209 12.413 127 2HG GLU 17 3HG GLU 17 -0.036 -5.844 12.297 128 H ARG 18 H ARG 18 3.272 -5.569 9.044 129 HA ARG 18 HA ARG 18 4.833 -4.489 11.165 130 1HB ARG 18 2HB ARG 18 5.562 -6.268 9.539 131 2HB ARG 18 3HB ARG 18 5.714 -5.004 8.318 132 1HG ARG 18 2HG ARG 18 7.384 -3.842 9.639 133 2HG ARG 18 3HG ARG 18 7.139 -4.943 10.996 134 1HD ARG 18 2HD ARG 18 8.154 -5.760 8.257 135 2HD ARG 18 3HD ARG 18 9.167 -5.519 9.678 136 HE ARG 18 HE ARG 18 6.976 -7.468 9.874 137 1HH1 ARG 18 1HH2 ARG 18 10.022 -6.740 11.001 138 2HH1 ARG 18 2HH2 ARG 18 10.684 -8.332 10.834 139 1HH2 ARG 18 1HH1 ARG 18 7.976 -9.563 9.056 140 2HH2 ARG 18 2HH1 ARG 18 9.528 -9.928 9.734 141 H LEU 19 H LEU 19 3.753 -3.219 8.052 142 HA LEU 19 HA LEU 19 5.345 -0.841 8.158 143 1HB LEU 19 2HB LEU 19 3.247 -1.973 6.407 144 2HB LEU 19 3HB LEU 19 3.353 -0.214 6.428 145 HG LEU 19 HG LEU 19 5.820 -0.412 5.996 146 1HD1 LEU 19 1HD1 LEU 19 5.154 -3.327 5.471 147 2HD1 LEU 19 2HD1 LEU 19 6.728 -2.557 5.277 148 3HD1 LEU 19 3HD1 LEU 19 6.032 -2.747 6.886 149 1HD2 LEU 19 1HD2 LEU 19 5.566 -0.763 3.650 150 2HD2 LEU 19 2HD2 LEU 19 4.218 -1.876 3.886 151 3HD2 LEU 19 3HD2 LEU 19 4.004 -0.154 4.197 152 H ARG 20 H ARG 20 2.104 -1.687 9.223 153 HA ARG 20 HA ARG 20 0.832 0.693 9.509 154 1HB ARG 20 2HB ARG 20 0.806 -1.839 11.009 155 2HB ARG 20 3HB ARG 20 0.193 -0.448 11.903 156 1HG ARG 20 2HG ARG 20 -1.275 0.091 9.937 157 2HG ARG 20 3HG ARG 20 -0.748 -1.418 9.189 158 1HD ARG 20 2HD ARG 20 -1.547 -2.606 11.289 159 2HD ARG 20 3HD ARG 20 -2.286 -1.083 11.774 160 HE ARG 20 HE ARG 20 -2.997 -2.462 9.246 161 1HH1 ARG 20 1HH1 ARG 20 -4.399 -2.770 12.078 162 2HH1 ARG 20 2HH1 ARG 20 -5.827 -1.836 11.784 163 1HH2 ARG 20 1HH2 ARG 20 -4.597 -0.372 8.893 164 2HH2 ARG 20 2HH2 ARG 20 -5.938 -0.475 9.984 165 HA PRO 21 HA PRO 21 2.858 1.537 13.921 166 1HB PRO 21 2HB PRO 21 5.516 0.442 13.736 167 2HB PRO 21 3HB PRO 21 4.246 0.056 14.907 168 1HG PRO 21 2HG PRO 21 5.099 -1.416 12.549 169 2HG PRO 21 3HG PRO 21 4.121 -1.952 13.921 170 1HD PRO 21 2HD PRO 21 3.122 -1.554 11.386 171 2HD PRO 21 3HD PRO 21 2.139 -1.465 12.863 172 H PHE 22 H PHE 22 4.838 1.257 10.979 173 HA PHE 22 HA PHE 22 6.384 3.625 11.520 174 1HB PHE 22 2HB PHE 22 6.024 1.876 9.085 175 2HB PHE 22 3HB PHE 22 6.985 3.352 9.035 176 HD1 PHE 22 HD1 PHE 22 6.804 -0.093 10.253 177 HD2 PHE 22 HD2 PHE 22 9.013 3.589 10.452 178 HE1 PHE 22 HE1 PHE 22 8.723 -1.297 11.261 179 HE2 PHE 22 HE2 PHE 22 10.930 2.382 11.461 180 HZ PHE 22 HZ PHE 22 10.785 -0.061 11.865 181 H LEU 23 H LEU 23 3.965 2.890 8.991 182 HA LEU 23 HA LEU 23 3.632 5.535 8.107 183 1HB LEU 23 2HB LEU 23 1.499 3.388 8.106 184 2HB LEU 23 3HB LEU 23 1.628 4.767 7.016 185 HG LEU 23 HG LEU 23 3.517 2.399 7.191 186 1HD1 LEU 23 1HD1 LEU 23 2.737 1.865 4.997 187 2HD1 LEU 23 2HD1 LEU 23 1.291 2.205 5.949 188 3HD1 LEU 23 3HD1 LEU 23 1.917 3.418 4.833 189 1HD2 LEU 23 1HD2 LEU 23 3.753 5.080 5.832 190 2HD2 LEU 23 2HD2 LEU 23 4.979 4.177 6.722 191 3HD2 LEU 23 3HD2 LEU 23 4.501 3.656 5.108 192 H LEU 24 H LEU 24 1.870 3.658 10.539 193 HA LEU 24 HA LEU 24 -0.130 5.443 11.238 194 1HB LEU 24 2HB LEU 24 -0.080 3.221 12.178 195 2HB LEU 24 3HB LEU 24 1.471 3.530 12.955 196 HG LEU 24 HG LEU 24 0.440 5.223 14.400 197 1HD1 LEU 24 1HD1 LEU 24 -1.297 6.197 13.163 198 2HD1 LEU 24 2HD1 LEU 24 -1.953 4.637 12.672 199 3HD1 LEU 24 3HD1 LEU 24 -2.178 5.207 14.325 200 1HD2 LEU 24 1HD2 LEU 24 -1.295 2.740 14.427 201 2HD2 LEU 24 2HD2 LEU 24 0.388 2.730 14.954 202 3HD2 LEU 24 3HD2 LEU 24 -0.796 3.724 15.803 203 H ARG 25 H ARG 25 3.237 5.318 12.307 204 HA ARG 25 HA ARG 25 3.129 7.320 14.259 205 1HB ARG 25 2HB ARG 25 5.232 5.973 12.699 206 2HB ARG 25 3HB ARG 25 5.655 7.588 13.259 207 1HG ARG 25 2HG ARG 25 5.336 7.018 15.528 208 2HG ARG 25 3HG ARG 25 4.399 5.579 15.124 209 1HD ARG 25 2HD ARG 25 6.286 4.342 14.547 210 2HD ARG 25 3HD ARG 25 7.236 5.775 14.172 211 HE ARG 25 HE ARG 25 7.890 5.851 16.393 212 1HH1 ARG 25 1HH2 ARG 25 4.932 4.070 16.107 213 2HH1 ARG 25 2HH2 ARG 25 5.000 3.435 17.716 214 1HH2 ARG 25 1HH1 ARG 25 8.033 4.934 18.470 215 2HH2 ARG 25 2HH1 ARG 25 6.754 3.923 19.052 216 H ASP 26 H ASP 26 4.112 7.639 10.811 217 HA ASP 26 HA ASP 26 3.833 10.557 11.120 218 1HB ASP 26 2HB ASP 26 5.067 8.959 8.874 219 2HB ASP 26 3HB ASP 26 5.080 10.715 9.024 220 H GLY 27 H GLY 27 3.006 8.157 8.562 221 1HA GLY 27 1HA GLY 27 1.102 9.985 7.396 222 2HA GLY 27 2HA GLY 27 1.436 8.343 6.864 223 H GLY 28 H GLY 28 0.490 6.572 8.170 224 1HA GLY 28 1HA GLY 28 -1.410 6.833 10.171 225 2HA GLY 28 2HA GLY 28 -2.281 7.039 8.656 226 H ASP 29 H ASP 29 -3.440 5.140 8.675 227 HA ASP 29 HA ASP 29 -1.892 2.625 8.776 228 1HB ASP 29 2HB ASP 29 -4.655 3.372 9.607 229 2HB ASP 29 3HB ASP 29 -4.399 1.741 8.992 230 H CYS 30 H CYS 30 -2.735 0.862 7.410 231 HA CYS 30 HA CYS 30 -3.779 1.835 4.819 232 1HB CYS 30 2HB CYS 30 -1.397 1.433 4.558 233 2HB CYS 30 3HB CYS 30 -1.546 -0.155 5.309 234 HG CYS 30 HG CYS 30 -2.873 0.530 2.555 235 H THR 31 H THR 31 -4.900 0.182 3.562 236 HA THR 31 HA THR 31 -5.682 -2.249 4.981 237 HB THR 31 HB THR 31 -7.727 -0.186 4.123 238 HG1 THR 31 HG1 THR 31 -6.533 0.265 6.071 239 1HG2 THR 31 1HG2 THR 31 -7.907 -2.978 5.256 240 2HG2 THR 31 2HG2 THR 31 -9.223 -1.820 5.451 241 3HG2 THR 31 3HG2 THR 31 -8.717 -2.316 3.836 242 H LEU 32 H LEU 32 -5.650 -3.850 3.570 243 HA LEU 32 HA LEU 32 -5.452 -3.457 0.750 244 1HB LEU 32 2HB LEU 32 -4.733 -5.461 2.418 245 2HB LEU 32 3HB LEU 32 -6.241 -6.125 1.795 246 HG LEU 32 HG LEU 32 -3.968 -5.084 0.076 247 1HD1 LEU 32 1HD1 LEU 32 -3.696 -7.295 1.461 248 2HD1 LEU 32 2HD1 LEU 32 -4.827 -7.960 0.282 249 3HD1 LEU 32 3HD1 LEU 32 -3.283 -7.299 -0.253 250 1HD2 LEU 32 1HD2 LEU 32 -6.690 -6.238 -0.481 251 2HD2 LEU 32 2HD2 LEU 32 -5.887 -4.864 -1.242 252 3HD2 LEU 32 3HD2 LEU 32 -5.378 -6.506 -1.630 253 H VAL 33 H VAL 33 -7.034 -3.284 -0.722 254 HA VAL 33 HA VAL 33 -9.812 -3.644 0.161 255 HB VAL 33 HB VAL 33 -8.562 -2.204 -2.180 256 1HG1 VAL 33 1HG1 VAL 33 -11.466 -2.841 -1.607 257 2HG1 VAL 33 2HG1 VAL 33 -10.976 -1.493 -2.635 258 3HG1 VAL 33 3HG1 VAL 33 -10.562 -3.145 -3.091 259 1HG2 VAL 33 1HG2 VAL 33 -10.417 -1.131 -0.054 260 2HG2 VAL 33 2HG2 VAL 33 -8.679 -1.241 0.222 261 3HG2 VAL 33 3HG2 VAL 33 -9.302 -0.239 -1.088 262 H ASP 34 H ASP 34 -7.563 -4.729 -2.379 263 HA ASP 34 HA ASP 34 -9.181 -7.125 -2.735 264 1HB ASP 34 2HB ASP 34 -10.158 -5.321 -4.241 265 2HB ASP 34 3HB ASP 34 -8.646 -5.381 -5.142 266 H VAL 35 H VAL 35 -7.774 -8.741 -2.754 267 HA VAL 35 HA VAL 35 -4.995 -8.327 -3.498 268 HB VAL 35 HB VAL 35 -5.643 -9.777 -1.570 269 1HG1 VAL 35 1HG1 VAL 35 -6.569 -11.793 -3.621 270 2HG1 VAL 35 2HG1 VAL 35 -6.773 -11.837 -1.869 271 3HG1 VAL 35 3HG1 VAL 35 -7.698 -10.688 -2.835 272 1HG2 VAL 35 1HG2 VAL 35 -3.520 -10.077 -2.997 273 2HG2 VAL 35 2HG2 VAL 35 -4.004 -11.444 -1.994 274 3HG2 VAL 35 3HG2 VAL 35 -4.345 -11.455 -3.724 275 H GLU 36 H GLU 36 -3.983 -9.151 -5.329 276 HA GLU 36 HA GLU 36 -5.422 -10.842 -7.183 277 1HB GLU 36 2HB GLU 36 -5.893 -9.337 -8.852 278 2HB GLU 36 3HB GLU 36 -6.171 -8.342 -7.430 279 1HG GLU 36 2HG GLU 36 -3.848 -8.307 -9.330 280 2HG GLU 36 3HG GLU 36 -4.839 -6.973 -8.766 281 H ASP 37 H ASP 37 -3.956 -10.105 -9.496 282 HA ASP 37 HA ASP 37 -1.436 -11.421 -8.879 283 1HB ASP 37 2HB ASP 37 -3.212 -11.520 -11.003 284 2HB ASP 37 3HB ASP 37 -1.841 -10.628 -11.651 285 H GLY 38 H GLY 38 -2.474 -8.377 -10.422 286 1HA GLY 38 1HA GLY 38 -0.010 -7.091 -9.564 287 2HA GLY 38 2HA GLY 38 -0.182 -7.272 -11.304 288 H ILE 39 H ILE 39 -2.973 -6.786 -9.278 289 HA ILE 39 HA ILE 39 -3.067 -3.906 -9.860 290 HB ILE 39 HB ILE 39 -5.524 -5.544 -10.455 291 1HG1 ILE 39 2HG1 ILE 39 -4.690 -5.196 -12.946 292 2HG1 ILE 39 3HG1 ILE 39 -3.095 -5.236 -12.198 293 1HG2 ILE 39 1HG2 ILE 39 -4.687 -3.094 -11.940 294 2HG2 ILE 39 2HG2 ILE 39 -6.296 -3.612 -11.436 295 3HG2 ILE 39 3HG2 ILE 39 -5.191 -2.901 -10.261 296 1HD1 ILE 39 1HD1 ILE 39 -4.688 -7.448 -12.899 297 2HD1 ILE 39 2HD1 ILE 39 -3.206 -7.475 -11.943 298 3HD1 ILE 39 3HD1 ILE 39 -4.770 -7.357 -11.140 299 H VAL 40 H VAL 40 -2.549 -4.609 -7.438 300 HA VAL 40 HA VAL 40 -4.831 -5.373 -5.864 301 HB VAL 40 HB VAL 40 -2.222 -5.688 -5.465 302 1HG1 VAL 40 1HG1 VAL 40 -2.813 -3.235 -3.800 303 2HG1 VAL 40 2HG1 VAL 40 -1.290 -4.115 -3.915 304 3HG1 VAL 40 3HG1 VAL 40 -1.881 -3.196 -5.298 305 1HG2 VAL 40 1HG2 VAL 40 -3.553 -6.841 -3.965 306 2HG2 VAL 40 2HG2 VAL 40 -2.899 -5.614 -2.883 307 3HG2 VAL 40 3HG2 VAL 40 -4.513 -5.419 -3.562 308 H LYS 41 H LYS 41 -6.321 -4.145 -4.967 309 HA LYS 41 HA LYS 41 -6.094 -1.228 -5.162 310 1HB LYS 41 2HB LYS 41 -8.444 -2.888 -4.207 311 2HB LYS 41 3HB LYS 41 -8.455 -1.174 -4.629 312 1HG LYS 41 2HG LYS 41 -7.527 -2.045 -6.939 313 2HG LYS 41 3HG LYS 41 -8.254 -3.568 -6.431 314 1HD LYS 41 2HD LYS 41 -10.403 -2.322 -6.017 315 2HD LYS 41 3HD LYS 41 -9.651 -0.897 -6.736 316 1HE LYS 41 2HE LYS 41 -9.388 -1.998 -8.854 317 2HE LYS 41 3HE LYS 41 -9.833 -3.559 -8.166 318 1HZ LYS 41 1HZ LYS 41 -11.611 -1.190 -8.367 319 1HZ LYS 41 1HZ LYS 41 -12.040 -2.701 -7.718 320 3HZ LYS 41 3HZ LYS 41 -11.672 -2.557 -9.370 321 H LEU 42 H LEU 42 -6.142 0.121 -3.337 322 HA LEU 42 HA LEU 42 -6.035 -1.200 -0.700 323 1HB LEU 42 2HB LEU 42 -3.904 0.466 -1.993 324 2HB LEU 42 3HB LEU 42 -4.107 0.516 -0.243 325 HG LEU 42 HG LEU 42 -4.073 -2.189 -1.472 326 1HD1 LEU 42 1HD1 LEU 42 -1.612 -0.427 -1.280 327 2HD1 LEU 42 2HD1 LEU 42 -1.572 -2.173 -1.522 328 3HD1 LEU 42 3HD1 LEU 42 -2.288 -1.128 -2.750 329 1HD2 LEU 42 1HD2 LEU 42 -4.135 -1.345 1.053 330 2HD2 LEU 42 2HD2 LEU 42 -3.235 -2.794 0.607 331 3HD2 LEU 42 3HD2 LEU 42 -2.388 -1.263 0.825 332 H GLN 43 H GLN 43 -5.859 0.525 1.050 333 HA GLN 43 HA GLN 43 -7.223 3.027 0.420 334 1HB GLN 43 2HB GLN 43 -8.515 0.737 1.678 335 2HB GLN 43 3HB GLN 43 -8.544 2.161 2.719 336 1HG GLN 43 2HG GLN 43 -9.888 3.350 1.289 337 2HG GLN 43 3HG GLN 43 -9.191 2.613 -0.150 338 1HE2 GLN 43 2HE2 GLN 43 -10.420 0.664 2.550 339 2HE2 GLN 43 1HE2 GLN 43 -11.754 0.038 1.710 340 H LEU 44 H LEU 44 -6.276 4.633 1.528 341 HA LEU 44 HA LEU 44 -4.323 3.906 3.585 342 1HB LEU 44 2HB LEU 44 -4.818 6.253 1.862 343 2HB LEU 44 3HB LEU 44 -4.213 6.626 3.476 344 HG LEU 44 HG LEU 44 -2.934 4.499 1.747 345 1HD1 LEU 44 1HD1 LEU 44 -1.791 7.264 1.994 346 2HD1 LEU 44 2HD1 LEU 44 -1.519 6.054 0.744 347 3HD1 LEU 44 3HD1 LEU 44 -3.033 6.957 0.779 348 1HD2 LEU 44 1HD2 LEU 44 -1.170 4.598 3.289 349 2HD2 LEU 44 2HD2 LEU 44 -1.614 6.212 3.843 350 3HD2 LEU 44 3HD2 LEU 44 -2.578 4.818 4.327 351 H HIS 45 H HIS 45 -4.212 5.748 5.414 352 HA HIS 45 HA HIS 45 -6.763 6.581 6.452 353 1HB HIS 45 2HB HIS 45 -5.641 3.999 7.273 354 2HB HIS 45 3HB HIS 45 -5.963 5.076 8.628 355 HD1 HIS 45 HD1 HIS 45 -8.432 5.787 9.041 356 HD2 HIS 45 HD2 HIS 45 -7.960 3.121 5.873 357 HE1 HIS 45 HE1 HIS 45 -10.746 4.928 8.474 358 H GLY 46 H GLY 46 -5.042 8.350 5.978 359 1HA GLY 46 1HA GLY 46 -2.812 8.803 7.568 360 2HA GLY 46 2HA GLY 46 -3.802 10.073 6.863 361 H ALA 47 H ALA 47 -5.454 11.031 8.095 362 HA ALA 47 HA ALA 47 -5.924 10.208 10.835 363 1HB ALA 47 1HB ALA 47 -4.665 12.915 10.345 364 2HB ALA 47 2HB ALA 47 -5.065 12.184 11.900 365 3HB ALA 47 3HB ALA 47 -3.763 11.512 10.917 366 H CYS 48 H CYS 48 -7.581 10.471 8.564 367 HA CYS 48 HA CYS 48 -9.594 11.343 7.902 368 1HB CYS 48 2HB CYS 48 -9.561 12.154 10.814 369 2HB CYS 48 3HB CYS 48 -10.942 12.455 9.759 370 HG CYS 48 HG CYS 48 -9.889 9.603 10.485 371 H GLY 49 H GLY 49 -7.873 12.761 6.707 372 1HA GLY 49 1HA GLY 49 -7.590 15.499 7.439 373 2HA GLY 49 2HA GLY 49 -7.270 14.814 5.849 374 H THR 50 H THR 50 -8.259 17.112 5.476 375 HA THR 50 HA THR 50 -11.195 16.839 5.196 376 HB THR 50 HB THR 50 -11.332 19.269 5.288 377 HG1 THR 50 HG1 THR 50 -9.169 19.509 4.345 378 1HG2 THR 50 1HG2 THR 50 -9.504 18.594 7.567 379 2HG2 THR 50 2HG2 THR 50 -11.027 19.481 7.583 380 3HG2 THR 50 3HG2 THR 50 -11.030 17.726 7.408 381 H CYS 51 H CYS 51 -8.201 17.907 3.658 382 HA CYS 51 HA CYS 51 -9.553 17.730 1.032 383 1HB CYS 51 2HB CYS 51 -7.898 19.551 0.322 384 2HB CYS 51 3HB CYS 51 -9.233 20.061 1.356 385 HG CYS 51 HG CYS 51 -7.406 20.958 2.790 386 HA PRO 52 HA PRO 52 -5.970 14.878 1.066 387 1HB PRO 52 2HB PRO 52 -7.426 13.170 -0.725 388 2HB PRO 52 3HB PRO 52 -6.983 12.881 0.961 389 1HG PRO 52 2HG PRO 52 -9.554 13.302 0.004 390 2HG PRO 52 3HG PRO 52 -9.041 13.422 1.693 391 1HD PRO 52 2HD PRO 52 -9.623 15.599 -0.248 392 2HD PRO 52 3HD PRO 52 -9.728 15.604 1.526 393 H SER 53 H SER 53 -6.505 17.209 -0.784 394 HA SER 53 HA SER 53 -6.014 16.383 -3.457 395 1HB SER 53 2HB SER 53 -4.927 18.805 -3.493 396 2HB SER 53 3HB SER 53 -6.674 18.608 -3.376 397 HG SER 53 HG SER 53 -6.502 18.862 -1.143 398 H SER 54 H SER 54 -4.264 16.188 -0.640 399 HA SER 54 HA SER 54 -1.623 16.387 -1.833 400 1HB SER 54 2HB SER 54 -2.338 15.575 0.983 401 2HB SER 54 3HB SER 54 -0.782 16.150 0.393 402 HG SER 54 HG SER 54 -1.623 17.972 1.123 403 H THR 55 H THR 55 -3.906 13.887 -0.713 404 HA THR 55 HA THR 55 -2.185 11.724 -0.467 405 HB THR 55 HB THR 55 -4.557 10.940 -1.955 406 HG1 THR 55 HG1 THR 55 -4.788 12.779 0.164 407 1HG2 THR 55 1HG2 THR 55 -3.236 9.548 -0.354 408 2HG2 THR 55 2HG2 THR 55 -3.783 10.595 0.953 409 3HG2 THR 55 3HG2 THR 55 -4.948 9.622 0.059 410 H ILE 56 H ILE 56 -3.576 13.105 -3.409 411 HA ILE 56 HA ILE 56 -2.681 11.225 -5.266 412 HB ILE 56 HB ILE 56 -2.617 14.130 -5.978 413 1HG1 ILE 56 2HG1 ILE 56 -4.533 14.108 -4.514 414 2HG1 ILE 56 3HG1 ILE 56 -5.146 14.029 -6.161 415 1HG2 ILE 56 1HG2 ILE 56 -2.373 12.005 -7.514 416 2HG2 ILE 56 2HG2 ILE 56 -4.130 11.951 -7.383 417 3HG2 ILE 56 3HG2 ILE 56 -3.339 13.376 -8.056 418 1HD1 ILE 56 1HD1 ILE 56 -4.885 11.381 -5.649 419 2HD1 ILE 56 2HD1 ILE 56 -5.218 11.973 -4.021 420 3HD1 ILE 56 3HD1 ILE 56 -6.363 12.285 -5.324 421 H THR 57 H THR 57 -1.061 14.217 -4.182 422 HA THR 57 HA THR 57 1.292 13.836 -5.714 423 HB THR 57 HB THR 57 1.178 15.342 -3.102 424 HG1 THR 57 HG1 THR 57 -0.582 15.670 -4.835 425 1HG2 THR 57 1HG2 THR 57 2.862 16.709 -4.100 426 2HG2 THR 57 2HG2 THR 57 3.331 15.045 -4.448 427 3HG2 THR 57 3HG2 THR 57 2.568 16.026 -5.699 428 H LEU 58 H LEU 58 0.718 13.311 -2.218 429 HA LEU 58 HA LEU 58 3.218 12.218 -1.622 430 1HB LEU 58 2HB LEU 58 1.108 12.870 -0.117 431 2HB LEU 58 3HB LEU 58 0.839 11.130 -0.196 432 HG LEU 58 HG LEU 58 3.592 12.158 0.426 433 1HD1 LEU 58 1HD1 LEU 58 1.300 12.802 1.989 434 2HD1 LEU 58 2HD1 LEU 58 2.189 11.548 2.850 435 3HD1 LEU 58 3HD1 LEU 58 2.995 13.047 2.401 436 1HD2 LEU 58 1HD2 LEU 58 1.991 9.652 0.789 437 2HD2 LEU 58 2HD2 LEU 58 3.659 9.848 0.254 438 3HD2 LEU 58 3HD2 LEU 58 3.257 10.002 1.963 439 H LYS 59 H LYS 59 0.182 10.495 -2.387 440 HA LYS 59 HA LYS 59 1.063 7.881 -2.296 441 1HB LYS 59 2HB LYS 59 -0.935 9.240 -4.099 442 2HB LYS 59 3HB LYS 59 -0.627 7.511 -4.207 443 1HG LYS 59 2HG LYS 59 -1.386 7.116 -2.003 444 2HG LYS 59 3HG LYS 59 -1.292 8.822 -1.573 445 1HD LYS 59 2HD LYS 59 -3.635 7.774 -2.112 446 2HD LYS 59 3HD LYS 59 -3.242 9.365 -2.756 447 1HE LYS 59 2HE LYS 59 -2.733 8.466 -4.919 448 2HE LYS 59 3HE LYS 59 -2.758 6.812 -4.310 449 1HZ LYS 59 1HZ LYS 59 -5.189 8.221 -3.775 450 1HZ LYS 59 1HZ LYS 59 -4.954 6.710 -4.516 451 3HZ LYS 59 3HZ LYS 59 -4.854 8.135 -5.435 452 H ALA 60 H ALA 60 1.240 10.131 -5.045 453 HA ALA 60 HA ALA 60 2.399 8.400 -6.913 454 1HB ALA 60 1HB ALA 60 3.001 11.350 -6.734 455 2HB ALA 60 2HB ALA 60 2.934 10.337 -8.176 456 3HB ALA 60 3HB ALA 60 1.451 10.730 -7.305 457 H GLY 61 H GLY 61 3.857 10.270 -4.309 458 1HA GLY 61 1HA GLY 61 6.564 10.038 -5.113 459 2HA GLY 61 2HA GLY 61 6.002 10.310 -3.464 460 H ILE 62 H ILE 62 4.503 8.061 -3.025 461 HA ILE 62 HA ILE 62 6.459 6.132 -2.327 462 HB ILE 62 HB ILE 62 3.601 5.299 -2.528 463 1HG1 ILE 62 2HG1 ILE 62 4.604 7.536 -0.734 464 2HG1 ILE 62 3HG1 ILE 62 3.266 7.602 -1.877 465 1HG2 ILE 62 1HG2 ILE 62 5.483 5.250 -0.161 466 2HG2 ILE 62 2HG2 ILE 62 4.089 4.214 -0.469 467 3HG2 ILE 62 3HG2 ILE 62 5.553 4.032 -1.433 468 1HD1 ILE 62 1HD1 ILE 62 3.397 6.089 0.730 469 2HD1 ILE 62 2HD1 ILE 62 2.251 7.341 0.254 470 3HD1 ILE 62 3HD1 ILE 62 2.177 5.748 -0.497 471 H GLU 63 H GLU 63 3.720 5.880 -4.594 472 HA GLU 63 HA GLU 63 4.222 3.487 -5.801 473 1HB GLU 63 2HB GLU 63 2.409 5.345 -6.270 474 2HB GLU 63 3HB GLU 63 3.515 5.804 -7.564 475 1HG GLU 63 2HG GLU 63 3.508 3.301 -8.202 476 2HG GLU 63 3HG GLU 63 2.090 3.169 -7.163 477 H ARG 64 H ARG 64 5.597 6.618 -6.823 478 HA ARG 64 HA ARG 64 7.169 5.734 -8.938 479 1HB ARG 64 2HB ARG 64 6.782 8.121 -8.309 480 2HB ARG 64 3HB ARG 64 7.901 7.909 -6.963 481 1HG ARG 64 2HG ARG 64 9.720 7.380 -8.486 482 2HG ARG 64 3HG ARG 64 8.619 7.407 -9.866 483 1HD ARG 64 2HD ARG 64 9.244 9.770 -8.071 484 2HD ARG 64 3HD ARG 64 9.894 9.518 -9.688 485 HE ARG 64 HE ARG 64 7.241 9.432 -10.150 486 1HH1 ARG 64 1HH1 ARG 64 9.109 11.895 -10.567 487 2HH1 ARG 64 2HH1 ARG 64 8.148 13.137 -9.838 488 1HH2 ARG 64 1HH2 ARG 64 6.029 10.918 -8.223 489 2HH2 ARG 64 2HH2 ARG 64 6.407 12.584 -8.506 490 H ALA 65 H ALA 65 8.100 6.071 -5.509 491 HA ALA 65 HA ALA 65 10.728 5.124 -5.740 492 1HB ALA 65 1HB ALA 65 9.244 4.418 -3.270 493 2HB ALA 65 2HB ALA 65 10.782 5.259 -3.464 494 3HB ALA 65 3HB ALA 65 9.267 6.127 -3.702 495 H LEU 66 H LEU 66 7.740 3.361 -4.932 496 HA LEU 66 HA LEU 66 8.875 0.824 -4.589 497 1HB LEU 66 2HB LEU 66 6.155 1.874 -5.168 498 2HB LEU 66 3HB LEU 66 6.436 0.165 -5.497 499 HG LEU 66 HG LEU 66 7.366 -0.074 -3.178 500 1HD1 LEU 66 1HD1 LEU 66 8.037 2.217 -2.741 501 2HD1 LEU 66 2HD1 LEU 66 6.383 2.787 -2.963 502 3HD1 LEU 66 3HD1 LEU 66 6.790 1.781 -1.573 503 1HD2 LEU 66 1HD2 LEU 66 5.106 0.228 -2.037 504 2HD2 LEU 66 2HD2 LEU 66 4.533 0.935 -3.548 505 3HD2 LEU 66 3HD2 LEU 66 5.085 -0.740 -3.512 506 H HIS 67 H HIS 67 7.294 2.156 -7.505 507 HA HIS 67 HA HIS 67 7.702 0.022 -9.228 508 1HB HIS 67 2HB HIS 67 7.565 2.996 -9.710 509 2HB HIS 67 3HB HIS 67 7.745 1.849 -11.036 510 HD1 HIS 67 HD1 HIS 67 5.438 1.855 -12.053 511 HD2 HIS 67 HD2 HIS 67 5.326 1.359 -7.916 512 HE1 HIS 67 HE1 HIS 67 3.028 1.351 -11.457 513 H GLU 68 H GLU 68 9.901 2.738 -8.532 514 HA GLU 68 HA GLU 68 11.892 2.020 -10.407 515 1HB GLU 68 2HB GLU 68 11.751 4.250 -9.350 516 2HB GLU 68 3HB GLU 68 12.204 3.536 -7.804 517 1HG GLU 68 2HG GLU 68 14.147 4.559 -8.985 518 2HG GLU 68 3HG GLU 68 14.357 2.830 -8.711 519 H GLU 69 H GLU 69 11.544 1.282 -6.947 520 HA GLU 69 HA GLU 69 13.944 -0.352 -6.929 521 1HB GLU 69 2HB GLU 69 11.833 0.250 -4.850 522 2HB GLU 69 3HB GLU 69 13.197 -0.829 -4.558 523 1HG GLU 69 2HG GLU 69 13.695 1.926 -5.653 524 2HG GLU 69 3HG GLU 69 13.399 1.716 -3.928 525 H VAL 70 H VAL 70 10.749 -0.810 -7.847 526 HA VAL 70 HA VAL 70 11.099 -3.694 -8.008 527 HB VAL 70 HB VAL 70 8.729 -2.507 -6.528 528 1HG1 VAL 70 1HG1 VAL 70 8.432 -5.050 -6.035 529 2HG1 VAL 70 2HG1 VAL 70 7.930 -4.438 -7.611 530 3HG1 VAL 70 3HG1 VAL 70 9.469 -5.284 -7.443 531 1HG2 VAL 70 1HG2 VAL 70 11.129 -4.093 -5.560 532 2HG2 VAL 70 2HG2 VAL 70 10.682 -2.452 -5.089 533 3HG2 VAL 70 3HG2 VAL 70 9.680 -3.816 -4.595 534 HA PRO 71 HA PRO 71 8.774 -1.685 -11.486 535 1HB PRO 71 2HB PRO 71 10.749 -2.745 -13.310 536 2HB PRO 71 3HB PRO 71 10.417 -1.051 -12.913 537 1HG PRO 71 2HG PRO 71 12.710 -2.411 -12.240 538 2HG PRO 71 3HG PRO 71 12.127 -0.948 -11.443 539 1HD PRO 71 2HD PRO 71 11.937 -3.793 -10.541 540 2HD PRO 71 3HD PRO 71 12.149 -2.312 -9.578 541 H GLY 72 H GLY 72 8.312 -4.229 -10.175 542 1HA GLY 72 1HA GLY 72 7.918 -6.095 -12.426 543 2HA GLY 72 2HA GLY 72 7.880 -6.524 -10.719 544 H VAL 73 H VAL 73 6.259 -3.972 -10.262 545 HA VAL 73 HA VAL 73 3.687 -5.155 -10.266 546 HB VAL 73 HB VAL 73 2.912 -3.071 -9.409 547 1HG1 VAL 73 1HG1 VAL 73 5.804 -3.082 -8.552 548 2HG1 VAL 73 2HG1 VAL 73 4.375 -2.715 -7.586 549 3HG1 VAL 73 3HG1 VAL 73 4.704 -4.375 -8.079 550 1HG2 VAL 73 1HG2 VAL 73 5.249 -1.970 -10.937 551 2HG2 VAL 73 2HG2 VAL 73 3.580 -1.401 -10.891 552 3HG2 VAL 73 3HG2 VAL 73 4.657 -1.089 -9.530 553 H ILE 74 H ILE 74 1.780 -4.335 -11.344 554 HA ILE 74 HA ILE 74 2.380 -3.483 -14.114 555 HB ILE 74 HB ILE 74 -0.161 -4.901 -13.529 556 1HG1 ILE 74 2HG1 ILE 74 2.516 -6.338 -13.613 557 2HG1 ILE 74 3HG1 ILE 74 1.480 -6.201 -12.192 558 1HG2 ILE 74 1HG2 ILE 74 0.525 -4.120 -15.787 559 2HG2 ILE 74 2HG2 ILE 74 1.946 -5.160 -15.694 560 3HG2 ILE 74 3HG2 ILE 74 0.333 -5.871 -15.725 561 1HD1 ILE 74 1HD1 ILE 74 0.974 -8.331 -13.129 562 2HD1 ILE 74 2HD1 ILE 74 -0.358 -7.283 -13.618 563 3HD1 ILE 74 3HD1 ILE 74 0.920 -7.682 -14.767 564 H GLU 75 H GLU 75 0.107 -3.315 -11.422 565 HA GLU 75 HA GLU 75 -0.488 -0.561 -11.949 566 1HB GLU 75 2HB GLU 75 -2.183 -2.578 -13.145 567 2HB GLU 75 3HB GLU 75 -3.088 -1.648 -11.953 568 1HG GLU 75 2HG GLU 75 -1.370 -0.372 -14.097 569 2HG GLU 75 3HG GLU 75 -3.095 -0.672 -14.294 570 H VAL 76 H VAL 76 -1.835 0.361 -10.289 571 HA VAL 76 HA VAL 76 -2.532 -1.321 -8.000 572 HB VAL 76 HB VAL 76 -0.418 0.845 -7.924 573 1HG1 VAL 76 1HG1 VAL 76 -2.081 -0.322 -5.677 574 2HG1 VAL 76 2HG1 VAL 76 -0.524 0.461 -5.405 575 3HG1 VAL 76 3HG1 VAL 76 -1.863 1.380 -6.089 576 1HG2 VAL 76 1HG2 VAL 76 -0.551 -2.068 -7.096 577 2HG2 VAL 76 2HG2 VAL 76 0.486 -1.347 -8.327 578 3HG2 VAL 76 3HG2 VAL 76 0.764 -0.992 -6.622 579 H GLU 77 H GLU 77 -3.894 -0.192 -6.471 580 HA GLU 77 HA GLU 77 -4.889 2.438 -7.312 581 1HB GLU 77 2HB GLU 77 -6.674 0.019 -6.934 582 2HB GLU 77 3HB GLU 77 -7.228 1.670 -7.211 583 1HG GLU 77 2HG GLU 77 -5.944 1.670 -9.372 584 2HG GLU 77 3HG GLU 77 -5.586 -0.035 -9.104 585 H GLN 78 H GLN 78 -3.698 2.969 -5.364 586 HA GLN 78 HA GLN 78 -5.019 2.181 -2.848 587 1HB GLN 78 2HB GLN 78 -2.513 1.947 -3.073 588 2HB GLN 78 3HB GLN 78 -2.424 3.702 -3.212 589 1HG GLN 78 2HG GLN 78 -3.816 2.357 -0.893 590 2HG GLN 78 3HG GLN 78 -2.089 2.709 -0.862 591 1HE2 GLN 78 2HE2 GLN 78 -5.042 3.983 0.033 592 2HE2 GLN 78 1HE2 GLN 78 -4.629 5.625 0.045 593 H VAL 79 H VAL 79 -6.816 3.483 -2.816 594 HA VAL 79 HA VAL 79 -6.377 6.400 -3.039 595 HB VAL 79 HB VAL 79 -8.634 6.619 -3.728 596 1HG1 VAL 79 1HG1 VAL 79 -7.058 5.580 -5.402 597 2HG1 VAL 79 2HG1 VAL 79 -7.695 4.001 -4.942 598 3HG1 VAL 79 3HG1 VAL 79 -8.756 5.200 -5.684 599 1HG2 VAL 79 1HG2 VAL 79 -8.917 3.860 -2.549 600 2HG2 VAL 79 2HG2 VAL 79 -9.893 5.297 -2.250 601 3HG2 VAL 79 3HG2 VAL 79 -10.062 4.416 -3.770 602 H PHE 80 H PHE 80 -7.682 7.775 -1.623 603 HA PHE 80 HA PHE 80 -9.110 6.879 0.586 604 1HB PHE 80 2HB PHE 80 -6.697 6.090 1.179 605 2HB PHE 80 3HB PHE 80 -6.468 7.780 1.627 606 HD1 PHE 80 HD1 PHE 80 -9.007 5.037 2.006 607 HD2 PHE 80 HD2 PHE 80 -7.123 8.462 3.776 608 HE1 PHE 80 HE1 PHE 80 -10.328 4.697 4.079 609 HE2 PHE 80 HE2 PHE 80 -8.427 8.116 5.849 610 HZ PHE 80 HZ PHE 80 -10.036 6.236 6.000 611 H LEU 81 H LEU 81 -8.968 8.633 2.451 612 HA LEU 81 HA LEU 81 -9.134 11.281 1.151 613 1HB LEU 81 2HB LEU 81 -10.794 11.777 2.973 614 2HB LEU 81 3HB LEU 81 -11.312 10.502 1.869 615 HG LEU 81 HG LEU 81 -9.737 9.590 4.213 616 1HD1 LEU 81 1HD1 LEU 81 -11.081 11.269 5.329 617 2HD1 LEU 81 2HD1 LEU 81 -12.534 10.717 4.496 618 3HD1 LEU 81 3HD1 LEU 81 -11.755 9.681 5.692 619 1HD2 LEU 81 1HD2 LEU 81 -10.665 7.950 2.704 620 2HD2 LEU 81 2HD2 LEU 81 -11.597 7.866 4.198 621 3HD2 LEU 81 3HD2 LEU 81 -12.262 8.694 2.790 622 H GLU 82 H GLU 82 -6.615 10.674 1.962 623 HA GLU 82 HA GLU 82 -6.288 12.390 4.327 624 1HB GLU 82 2HB GLU 82 -4.561 10.818 5.233 625 2HB GLU 82 3HB GLU 82 -6.199 10.179 5.271 626 1HG GLU 82 2HG GLU 82 -5.316 8.361 4.244 627 2HG GLU 82 3HG GLU 82 -5.338 9.353 2.790 628 H HIS 83 H HIS 83 -3.394 11.631 4.386 629 HA HIS 83 HA HIS 83 -2.450 12.797 1.846 630 1HB HIS 83 2HB HIS 83 -1.274 13.705 4.467 631 2HB HIS 83 3HB HIS 83 -1.181 14.476 2.885 632 HD1 HIS 83 HD1 HIS 83 -2.747 16.383 2.563 633 HD2 HIS 83 HD2 HIS 83 -4.141 13.746 5.474 634 HE1 HIS 83 HE1 HIS 83 -4.881 17.391 3.478 635 H HIS 84 H HIS 84 -1.537 11.357 4.954 636 HA HIS 84 HA HIS 84 -0.243 9.465 5.341 637 1HB HIS 84 2HB HIS 84 -0.579 8.995 2.786 638 2HB HIS 84 3HB HIS 84 1.049 9.651 2.638 639 HD1 HIS 84 HD1 HIS 84 2.512 7.639 2.384 640 HD2 HIS 84 HD2 HIS 84 -0.257 7.160 5.464 641 HE1 HIS 84 HE1 HIS 84 3.083 5.454 3.527 642 H HIS 85 H HIS 85 2.466 9.154 4.445 643 HA HIS 85 HA HIS 85 3.672 11.626 5.532 644 1HB HIS 85 2HB HIS 85 3.848 9.970 7.229 645 2HB HIS 85 3HB HIS 85 4.331 8.727 6.076 646 HD1 HIS 85 HD1 HIS 85 5.747 12.247 6.326 647 HD2 HIS 85 HD2 HIS 85 6.962 8.301 6.906 648 HE1 HIS 85 HE1 HIS 85 8.243 12.320 6.751 649 H HIS 86 H HIS 86 5.575 8.890 4.548 650 HA HIS 86 HA HIS 86 6.061 9.701 1.846 651 1HB HIS 86 2HB HIS 86 7.876 10.675 4.023 652 2HB HIS 86 3HB HIS 86 8.583 10.202 2.481 653 HD1 HIS 86 HD1 HIS 86 6.592 11.223 0.467 654 HD2 HIS 86 HD2 HIS 86 7.639 13.422 3.851 655 HE1 HIS 86 HE1 HIS 86 6.053 13.641 -0.055 656 H HIS 87 H HIS 87 8.524 8.725 1.377 657 HA HIS 87 HA HIS 87 8.177 5.879 1.857 658 1HB HIS 87 2HB HIS 87 8.795 6.804 -0.383 659 2HB HIS 87 3HB HIS 87 10.336 7.325 0.299 660 HD1 HIS 87 HD1 HIS 87 8.321 4.079 0.088 661 HD2 HIS 87 HD2 HIS 87 12.279 5.389 0.043 662 HE1 HIS 87 HE1 HIS 87 9.753 2.024 -0.286 663 H HIS 88 H HIS 88 9.201 8.054 3.876 664 HA HIS 88 HA HIS 88 10.511 7.959 5.767 665 1HB HIS 88 2HB HIS 88 10.084 5.372 5.363 666 2HB HIS 88 3HB HIS 88 11.793 5.387 4.935 667 HD1 HIS 88 HD1 HIS 88 13.420 6.496 6.819 668 HD2 HIS 88 HD2 HIS 88 9.617 5.368 8.102 669 HE1 HIS 88 HE1 HIS 88 13.521 6.384 9.346 Start of MODEL 8 1 1H MET 1 1HT MET 1 12.360 -25.868 -5.918 2 2H MET 1 2HT MET 1 12.150 -24.824 -4.595 3 3H MET 1 3HT MET 1 11.705 -24.322 -6.155 4 HA MET 1 HA MET 1 9.743 -25.359 -6.100 5 1HB MET 1 2HB MET 1 11.359 -27.526 -4.784 6 2HB MET 1 3HB MET 1 9.597 -27.598 -4.729 7 1HG MET 1 2HG MET 1 9.459 -27.538 -7.150 8 2HG MET 1 3HG MET 1 11.195 -27.269 -7.285 9 1HE MET 1 1HE MET 1 10.306 -30.825 -8.659 10 2HE MET 1 2HE MET 1 11.597 -29.648 -8.897 11 3HE MET 1 3HE MET 1 9.917 -29.116 -8.905 12 HA PRO 2 HA PRO 2 9.430 -23.472 -1.883 13 1HB PRO 2 2HB PRO 2 7.734 -21.437 -3.026 14 2HB PRO 2 3HB PRO 2 9.359 -21.255 -2.346 15 1HG PRO 2 2HG PRO 2 8.691 -20.963 -5.012 16 2HG PRO 2 3HG PRO 2 10.321 -21.242 -4.380 17 1HD PRO 2 2HD PRO 2 8.457 -23.166 -5.690 18 2HD PRO 2 3HD PRO 2 10.233 -23.134 -5.687 19 H THR 3 H THR 3 7.362 -22.941 -0.651 20 HA THR 3 HA THR 3 5.312 -24.897 -1.386 21 HB THR 3 HB THR 3 5.289 -23.218 1.111 22 HG1 THR 3 HG1 THR 3 7.209 -24.059 1.416 23 1HG2 THR 3 1HG2 THR 3 4.519 -26.110 0.712 24 2HG2 THR 3 2HG2 THR 3 4.040 -25.023 2.012 25 3HG2 THR 3 3HG2 THR 3 3.392 -24.791 0.389 26 H GLU 4 H GLU 4 3.092 -24.386 -1.524 27 HA GLU 4 HA GLU 4 2.581 -21.619 -2.395 28 1HB GLU 4 2HB GLU 4 0.999 -24.167 -2.824 29 2HB GLU 4 3HB GLU 4 0.526 -22.574 -3.417 30 1HG GLU 4 2HG GLU 4 1.648 -23.706 -5.224 31 2HG GLU 4 3HG GLU 4 2.736 -22.455 -4.628 32 H ASN 5 H ASN 5 2.433 -23.197 0.429 33 HA ASN 5 HA ASN 5 -0.250 -22.728 1.287 34 1HB ASN 5 2HB ASN 5 1.912 -24.070 2.339 35 2HB ASN 5 3HB ASN 5 1.795 -22.664 3.395 36 1HD2 ASN 5 2HD2 ASN 5 -0.670 -22.190 4.042 37 2HD2 ASN 5 1HD2 ASN 5 -1.564 -23.562 4.487 38 HA PRO 6 HA PRO 6 1.507 -18.656 3.062 39 1HB PRO 6 2HB PRO 6 4.077 -18.060 1.892 40 2HB PRO 6 3HB PRO 6 3.707 -18.418 3.585 41 1HG PRO 6 2HG PRO 6 5.174 -20.032 1.896 42 2HG PRO 6 3HG PRO 6 4.388 -20.557 3.394 43 1HD PRO 6 2HD PRO 6 3.495 -20.932 0.565 44 2HD PRO 6 3HD PRO 6 3.276 -21.998 1.971 45 H THR 7 H THR 7 -0.176 -18.046 1.573 46 HA THR 7 HA THR 7 0.409 -17.302 -1.135 47 HB THR 7 HB THR 7 -1.922 -16.360 -1.066 48 HG1 THR 7 HG1 THR 7 -1.448 -16.377 1.503 49 1HG2 THR 7 1HG2 THR 7 -1.904 -18.567 -1.799 50 2HG2 THR 7 2HG2 THR 7 -1.233 -19.174 -0.285 51 3HG2 THR 7 3HG2 THR 7 -2.930 -18.699 -0.369 52 H MET 8 H MET 8 -0.076 -15.088 -1.961 53 HA MET 8 HA MET 8 1.679 -13.190 -0.978 54 1HB MET 8 2HB MET 8 -0.811 -12.893 -2.657 55 2HB MET 8 3HB MET 8 0.249 -11.534 -2.290 56 1HG MET 8 2HG MET 8 2.170 -12.906 -3.202 57 2HG MET 8 3HG MET 8 0.981 -14.083 -3.754 58 1HE MET 8 1HE MET 8 -0.553 -12.780 -6.799 59 2HE MET 8 2HE MET 8 -1.219 -13.235 -5.233 60 3HE MET 8 3HE MET 8 0.134 -14.143 -5.904 61 H PHE 9 H PHE 9 -1.806 -13.485 -0.348 62 HA PHE 9 HA PHE 9 -2.378 -11.235 1.079 63 1HB PHE 9 2HB PHE 9 -3.906 -13.215 0.615 64 2HB PHE 9 3HB PHE 9 -3.196 -13.985 2.034 65 HD1 PHE 9 HD1 PHE 9 -5.464 -11.394 0.825 66 HD2 PHE 9 HD2 PHE 9 -3.448 -12.941 4.290 67 HE1 PHE 9 HE1 PHE 9 -6.995 -10.107 2.294 68 HE2 PHE 9 HE2 PHE 9 -4.978 -11.652 5.755 69 HZ PHE 9 HZ PHE 9 -6.751 -10.237 4.757 70 H ASP 10 H ASP 10 -0.463 -13.974 2.115 71 HA ASP 10 HA ASP 10 -0.287 -13.422 4.865 72 1HB ASP 10 2HB ASP 10 0.462 -15.523 3.647 73 2HB ASP 10 3HB ASP 10 1.913 -14.635 3.189 74 H GLN 11 H GLN 11 2.201 -12.787 2.394 75 HA GLN 11 HA GLN 11 3.848 -11.169 3.972 76 1HB GLN 11 2HB GLN 11 3.885 -12.150 1.373 77 2HB GLN 11 3HB GLN 11 3.847 -10.403 1.158 78 1HG GLN 11 2HG GLN 11 5.751 -10.190 2.753 79 2HG GLN 11 3HG GLN 11 5.823 -11.950 2.860 80 1HE2 GLN 11 2HE2 GLN 11 5.715 -9.464 0.219 81 2HE2 GLN 11 1HE2 GLN 11 6.903 -10.226 -0.727 82 H VAL 12 H VAL 12 1.582 -10.036 1.439 83 HA VAL 12 HA VAL 12 1.901 -7.340 1.815 84 HB VAL 12 HB VAL 12 -0.280 -7.040 0.843 85 1HG1 VAL 12 1HG1 VAL 12 0.880 -9.625 -0.183 86 2HG1 VAL 12 2HG1 VAL 12 -0.028 -8.423 -1.101 87 3HG1 VAL 12 3HG1 VAL 12 1.583 -8.041 -0.498 88 1HG2 VAL 12 1HG2 VAL 12 -1.746 -8.435 2.081 89 2HG2 VAL 12 2HG2 VAL 12 -1.679 -9.195 0.492 90 3HG2 VAL 12 3HG2 VAL 12 -0.737 -9.858 1.822 91 H ALA 13 H ALA 13 -0.673 -9.274 3.371 92 HA ALA 13 HA ALA 13 -1.602 -7.315 5.042 93 1HB ALA 13 1HB ALA 13 -1.333 -10.169 5.980 94 2HB ALA 13 2HB ALA 13 -2.618 -9.014 6.337 95 3HB ALA 13 3HB ALA 13 -2.484 -9.715 4.725 96 H GLU 14 H GLU 14 1.116 -9.521 5.480 97 HA GLU 14 HA GLU 14 1.827 -8.745 8.115 98 1HB GLU 14 2HB GLU 14 3.021 -10.328 5.942 99 2HB GLU 14 3HB GLU 14 4.202 -9.524 6.974 100 1HG GLU 14 2HG GLU 14 3.765 -11.644 7.992 101 2HG GLU 14 3HG GLU 14 2.921 -10.445 8.967 102 H VAL 15 H VAL 15 3.132 -7.758 4.956 103 HA VAL 15 HA VAL 15 5.016 -5.900 5.856 104 HB VAL 15 HB VAL 15 3.398 -5.876 3.295 105 1HG1 VAL 15 1HG1 VAL 15 5.398 -4.572 2.456 106 2HG1 VAL 15 2HG1 VAL 15 4.397 -3.702 3.618 107 3HG1 VAL 15 3HG1 VAL 15 5.921 -4.423 4.135 108 1HG2 VAL 15 1HG2 VAL 15 4.859 -7.924 3.904 109 2HG2 VAL 15 2HG2 VAL 15 5.152 -7.159 2.343 110 3HG2 VAL 15 3HG2 VAL 15 6.233 -6.842 3.699 111 H ILE 16 H ILE 16 1.784 -5.126 4.517 112 HA ILE 16 HA ILE 16 1.721 -2.426 5.056 113 HB ILE 16 HB ILE 16 -0.641 -4.295 5.373 114 1HG1 ILE 16 2HG1 ILE 16 0.331 -4.821 3.250 115 2HG1 ILE 16 3HG1 ILE 16 -0.993 -3.717 2.912 116 1HG2 ILE 16 1HG2 ILE 16 -0.650 -1.480 4.290 117 2HG2 ILE 16 2HG2 ILE 16 -1.998 -2.420 4.934 118 3HG2 ILE 16 3HG2 ILE 16 -0.765 -1.786 6.024 119 1HD1 ILE 16 1HD1 ILE 16 1.970 -3.143 2.912 120 2HD1 ILE 16 2HD1 ILE 16 0.801 -2.885 1.616 121 3HD1 ILE 16 3HD1 ILE 16 0.785 -1.844 3.039 122 H GLU 17 H GLU 17 0.762 -5.066 7.238 123 HA GLU 17 HA GLU 17 -0.156 -3.595 9.405 124 1HB GLU 17 2HB GLU 17 1.229 -6.252 9.178 125 2HB GLU 17 3HB GLU 17 0.809 -5.594 10.758 126 1HG GLU 17 2HG GLU 17 -1.351 -5.476 8.736 127 2HG GLU 17 3HG GLU 17 -0.885 -7.100 9.234 128 H ARG 18 H ARG 18 3.176 -4.526 8.617 129 HA ARG 18 HA ARG 18 4.371 -3.503 10.970 130 1HB ARG 18 2HB ARG 18 5.358 -4.342 8.276 131 2HB ARG 18 3HB ARG 18 6.447 -3.456 9.340 132 1HG ARG 18 2HG ARG 18 4.898 -5.799 10.415 133 2HG ARG 18 3HG ARG 18 6.365 -6.076 9.475 134 1HD ARG 18 2HD ARG 18 7.737 -5.090 11.060 135 2HD ARG 18 3HD ARG 18 6.452 -4.060 11.686 136 HE ARG 18 HE ARG 18 5.633 -6.591 12.332 137 1HH1 ARG 18 1HH1 ARG 18 8.570 -4.805 12.752 138 2HH1 ARG 18 2HH1 ARG 18 8.963 -5.543 14.269 139 1HH2 ARG 18 1HH2 ARG 18 6.129 -7.539 14.336 140 2HH2 ARG 18 2HH2 ARG 18 7.582 -7.090 15.166 141 H LEU 19 H LEU 19 4.034 -2.073 7.717 142 HA LEU 19 HA LEU 19 5.383 0.352 8.424 143 1HB LEU 19 2HB LEU 19 3.730 -0.523 6.068 144 2HB LEU 19 3HB LEU 19 4.295 1.140 6.220 145 HG LEU 19 HG LEU 19 6.632 0.116 6.622 146 1HD1 LEU 19 1HD1 LEU 19 6.872 -2.126 5.451 147 2HD1 LEU 19 2HD1 LEU 19 6.040 -2.185 7.003 148 3HD1 LEU 19 3HD1 LEU 19 5.115 -2.258 5.505 149 1HD2 LEU 19 1HD2 LEU 19 5.331 -0.248 3.902 150 2HD2 LEU 19 2HD2 LEU 19 5.906 1.291 4.542 151 3HD2 LEU 19 3HD2 LEU 19 7.051 -0.010 4.214 152 H ARG 20 H ARG 20 2.016 -0.647 8.366 153 HA ARG 20 HA ARG 20 0.505 1.548 8.306 154 1HB ARG 20 2HB ARG 20 0.373 -0.945 9.826 155 2HB ARG 20 3HB ARG 20 -0.536 0.373 10.568 156 1HG ARG 20 2HG ARG 20 -1.886 0.681 8.655 157 2HG ARG 20 3HG ARG 20 -0.770 -0.205 7.616 158 1HD ARG 20 2HD ARG 20 -3.051 -1.259 8.752 159 2HD ARG 20 3HD ARG 20 -1.699 -2.201 8.133 160 HE ARG 20 HE ARG 20 -0.813 -2.042 10.520 161 1HH1 ARG 20 1HH1 ARG 20 -3.890 -3.015 9.531 162 2HH1 ARG 20 2HH1 ARG 20 -4.558 -3.137 11.125 163 1HH2 ARG 20 1HH2 ARG 20 -1.802 -1.718 12.676 164 2HH2 ARG 20 2HH2 ARG 20 -3.372 -2.404 12.905 165 HA PRO 21 HA PRO 21 1.212 2.686 13.075 166 1HB PRO 21 2HB PRO 21 3.970 1.983 13.540 167 2HB PRO 21 3HB PRO 21 2.532 1.421 14.402 168 1HG PRO 21 2HG PRO 21 4.077 0.103 12.305 169 2HG PRO 21 3HG PRO 21 2.944 -0.584 13.475 170 1HD PRO 21 2HD PRO 21 2.379 -0.383 10.813 171 2HD PRO 21 3HD PRO 21 1.125 -0.327 12.071 172 H PHE 22 H PHE 22 3.900 2.709 10.736 173 HA PHE 22 HA PHE 22 4.821 5.331 11.529 174 1HB PHE 22 2HB PHE 22 5.458 3.579 9.143 175 2HB PHE 22 3HB PHE 22 6.229 5.135 9.450 176 HD1 PHE 22 HD1 PHE 22 7.646 5.462 11.464 177 HD2 PHE 22 HD2 PHE 22 5.991 1.632 10.448 178 HE1 PHE 22 HE1 PHE 22 9.241 4.363 13.016 179 HE2 PHE 22 HE2 PHE 22 7.582 0.533 11.997 180 HZ PHE 22 HZ PHE 22 9.208 1.897 13.282 181 H LEU 23 H LEU 23 3.136 4.011 8.682 182 HA LEU 23 HA LEU 23 2.773 6.396 7.278 183 1HB LEU 23 2HB LEU 23 1.327 3.775 7.385 184 2HB LEU 23 3HB LEU 23 0.582 5.115 6.516 185 HG LEU 23 HG LEU 23 2.485 5.333 5.056 186 1HD1 LEU 23 1HD1 LEU 23 4.387 3.591 5.361 187 2HD1 LEU 23 2HD1 LEU 23 4.376 4.995 6.428 188 3HD1 LEU 23 3HD1 LEU 23 3.788 3.439 7.011 189 1HD2 LEU 23 1HD2 LEU 23 2.481 3.138 3.967 190 2HD2 LEU 23 2HD2 LEU 23 1.881 2.385 5.446 191 3HD2 LEU 23 3HD2 LEU 23 0.860 3.512 4.553 192 H LEU 24 H LEU 24 0.914 4.965 9.907 193 HA LEU 24 HA LEU 24 -1.356 6.583 9.880 194 1HB LEU 24 2HB LEU 24 -0.711 4.525 11.358 195 2HB LEU 24 3HB LEU 24 -0.077 5.742 12.462 196 HG LEU 24 HG LEU 24 -2.425 6.890 12.063 197 1HD1 LEU 24 1HD1 LEU 24 -2.885 3.984 11.331 198 2HD1 LEU 24 2HD1 LEU 24 -4.180 5.071 11.833 199 3HD1 LEU 24 3HD1 LEU 24 -3.268 5.406 10.361 200 1HD2 LEU 24 1HD2 LEU 24 -1.946 4.436 13.786 201 2HD2 LEU 24 2HD2 LEU 24 -1.690 6.119 14.244 202 3HD2 LEU 24 3HD2 LEU 24 -3.326 5.517 13.980 203 H ARG 25 H ARG 25 1.486 7.000 11.976 204 HA ARG 25 HA ARG 25 0.821 9.447 13.081 205 1HB ARG 25 2HB ARG 25 3.554 8.315 12.464 206 2HB ARG 25 3HB ARG 25 3.251 9.675 13.542 207 1HG ARG 25 2HG ARG 25 1.617 8.082 14.771 208 2HG ARG 25 3HG ARG 25 2.433 6.793 13.889 209 1HD ARG 25 2HD ARG 25 4.623 7.839 14.768 210 2HD ARG 25 3HD ARG 25 3.597 8.710 15.904 211 HE ARG 25 HE ARG 25 3.560 5.751 15.736 212 1HH1 ARG 25 1HH2 ARG 25 4.603 8.515 17.474 213 2HH1 ARG 25 2HH2 ARG 25 4.262 7.848 19.036 214 1HH2 ARG 25 1HH1 ARG 25 2.791 4.972 17.789 215 2HH2 ARG 25 2HH1 ARG 25 3.239 5.848 19.215 216 H ASP 26 H ASP 26 2.380 8.822 9.954 217 HA ASP 26 HA ASP 26 2.727 11.722 9.582 218 1HB ASP 26 2HB ASP 26 3.655 9.618 7.648 219 2HB ASP 26 3HB ASP 26 4.291 11.241 7.910 220 H GLY 27 H GLY 27 1.530 8.968 7.616 221 1HA GLY 27 1HA GLY 27 -0.098 10.875 6.068 222 2HA GLY 27 2HA GLY 27 0.312 9.236 5.579 223 H GLY 28 H GLY 28 -0.672 7.461 6.854 224 1HA GLY 28 1HA GLY 28 -2.843 7.799 8.611 225 2HA GLY 28 2HA GLY 28 -3.472 7.688 6.968 226 H ASP 29 H ASP 29 -4.491 5.687 7.389 227 HA ASP 29 HA ASP 29 -2.669 3.403 7.861 228 1HB ASP 29 2HB ASP 29 -4.666 3.880 9.439 229 2HB ASP 29 3HB ASP 29 -5.669 3.293 8.115 230 H CYS 30 H CYS 30 -2.524 1.801 6.393 231 HA CYS 30 HA CYS 30 -4.126 2.060 3.918 232 1HB CYS 30 2HB CYS 30 -1.610 2.376 3.771 233 2HB CYS 30 3HB CYS 30 -1.457 0.674 4.205 234 HG CYS 30 HG CYS 30 -2.363 -0.012 1.962 235 H THR 31 H THR 31 -4.997 0.169 2.979 236 HA THR 31 HA THR 31 -4.693 -2.355 4.424 237 HB THR 31 HB THR 31 -7.427 -1.118 4.056 238 HG1 THR 31 HG1 THR 31 -6.010 -1.484 6.471 239 1HG2 THR 31 1HG2 THR 31 -7.999 -2.969 5.707 240 2HG2 THR 31 2HG2 THR 31 -7.570 -3.503 4.082 241 3HG2 THR 31 3HG2 THR 31 -6.394 -3.627 5.390 242 H LEU 32 H LEU 32 -4.546 -3.951 3.005 243 HA LEU 32 HA LEU 32 -5.057 -3.571 0.213 244 1HB LEU 32 2HB LEU 32 -3.279 -5.075 1.067 245 2HB LEU 32 3HB LEU 32 -4.517 -6.133 1.744 246 HG LEU 32 HG LEU 32 -4.922 -5.476 -1.106 247 1HD1 LEU 32 1HD1 LEU 32 -2.415 -5.638 -0.939 248 2HD1 LEU 32 2HD1 LEU 32 -2.613 -7.273 -0.307 249 3HD1 LEU 32 3HD1 LEU 32 -3.143 -6.891 -1.945 250 1HD2 LEU 32 1HD2 LEU 32 -4.684 -8.163 0.271 251 2HD2 LEU 32 2HD2 LEU 32 -6.153 -7.191 0.346 252 3HD2 LEU 32 3HD2 LEU 32 -5.565 -7.780 -1.208 253 H VAL 33 H VAL 33 -6.889 -3.934 -0.902 254 HA VAL 33 HA VAL 33 -9.172 -5.080 0.556 255 HB VAL 33 HB VAL 33 -9.061 -3.406 -1.962 256 1HG1 VAL 33 1HG1 VAL 33 -11.331 -4.755 -0.495 257 2HG1 VAL 33 2HG1 VAL 33 -11.604 -3.307 -1.464 258 3HG1 VAL 33 3HG1 VAL 33 -10.978 -4.770 -2.222 259 1HG2 VAL 33 1HG2 VAL 33 -8.678 -1.918 -0.206 260 2HG2 VAL 33 2HG2 VAL 33 -10.441 -1.913 -0.268 261 3HG2 VAL 33 3HG2 VAL 33 -9.603 -2.879 0.948 262 H ASP 34 H ASP 34 -7.262 -5.534 -2.403 263 HA ASP 34 HA ASP 34 -8.215 -8.259 -2.582 264 1HB ASP 34 2HB ASP 34 -9.889 -6.586 -3.780 265 2HB ASP 34 3HB ASP 34 -8.688 -6.673 -5.068 266 H VAL 35 H VAL 35 -6.723 -9.544 -3.466 267 HA VAL 35 HA VAL 35 -4.368 -8.269 -4.695 268 HB VAL 35 HB VAL 35 -4.040 -9.723 -2.676 269 1HG1 VAL 35 1HG1 VAL 35 -4.600 -11.967 -2.638 270 2HG1 VAL 35 2HG1 VAL 35 -5.901 -11.363 -3.664 271 3HG1 VAL 35 3HG1 VAL 35 -4.490 -12.136 -4.388 272 1HG2 VAL 35 1HG2 VAL 35 -2.817 -10.692 -5.279 273 2HG2 VAL 35 2HG2 VAL 35 -2.213 -9.375 -4.277 274 3HG2 VAL 35 3HG2 VAL 35 -2.174 -11.031 -3.673 275 H GLU 36 H GLU 36 -4.101 -8.421 -6.832 276 HA GLU 36 HA GLU 36 -5.023 -10.796 -8.261 277 1HB GLU 36 2HB GLU 36 -6.927 -9.140 -8.248 278 2HB GLU 36 3HB GLU 36 -5.888 -8.046 -9.161 279 1HG GLU 36 2HG GLU 36 -7.057 -9.152 -10.864 280 2HG GLU 36 3HG GLU 36 -5.567 -10.089 -10.766 281 H ASP 37 H ASP 37 -2.711 -11.046 -8.393 282 HA ASP 37 HA ASP 37 -0.685 -10.907 -9.447 283 1HB ASP 37 2HB ASP 37 -2.257 -11.389 -11.372 284 2HB ASP 37 3HB ASP 37 -2.225 -9.665 -11.732 285 H GLY 38 H GLY 38 -2.047 -8.042 -11.025 286 1HA GLY 38 1HA GLY 38 -0.045 -6.394 -9.597 287 2HA GLY 38 2HA GLY 38 -0.361 -6.216 -11.312 288 H ILE 39 H ILE 39 -3.324 -6.707 -10.704 289 HA ILE 39 HA ILE 39 -3.973 -3.910 -10.266 290 HB ILE 39 HB ILE 39 -5.886 -6.206 -10.742 291 1HG1 ILE 39 2HG1 ILE 39 -5.661 -4.839 -13.124 292 2HG1 ILE 39 3HG1 ILE 39 -3.993 -4.839 -12.549 293 1HG2 ILE 39 1HG2 ILE 39 -6.281 -3.358 -11.600 294 2HG2 ILE 39 2HG2 ILE 39 -7.485 -4.575 -11.183 295 3HG2 ILE 39 3HG2 ILE 39 -6.557 -3.783 -9.911 296 1HD1 ILE 39 1HD1 ILE 39 -4.579 -6.840 -13.953 297 2HD1 ILE 39 2HD1 ILE 39 -4.007 -7.256 -12.337 298 3HD1 ILE 39 3HD1 ILE 39 -5.731 -7.319 -12.705 299 H VAL 40 H VAL 40 -3.002 -4.300 -8.016 300 HA VAL 40 HA VAL 40 -4.816 -5.552 -6.114 301 HB VAL 40 HB VAL 40 -2.122 -4.217 -5.870 302 1HG1 VAL 40 1HG1 VAL 40 -4.140 -4.876 -3.747 303 2HG1 VAL 40 2HG1 VAL 40 -2.431 -5.139 -3.403 304 3HG1 VAL 40 3HG1 VAL 40 -3.006 -3.528 -3.830 305 1HG2 VAL 40 1HG2 VAL 40 -2.913 -6.805 -6.465 306 2HG2 VAL 40 2HG2 VAL 40 -1.336 -6.346 -5.825 307 3HG2 VAL 40 3HG2 VAL 40 -2.610 -6.881 -4.730 308 H LYS 41 H LYS 41 -6.469 -4.530 -5.242 309 HA LYS 41 HA LYS 41 -6.630 -1.608 -5.325 310 1HB LYS 41 2HB LYS 41 -8.688 -3.577 -4.294 311 2HB LYS 41 3HB LYS 41 -8.947 -1.887 -4.734 312 1HG LYS 41 2HG LYS 41 -8.330 -2.413 -7.077 313 2HG LYS 41 3HG LYS 41 -8.125 -4.108 -6.632 314 1HD LYS 41 2HD LYS 41 -10.518 -4.112 -5.844 315 2HD LYS 41 3HD LYS 41 -10.685 -2.491 -6.520 316 1HE LYS 41 2HE LYS 41 -9.801 -4.914 -8.114 317 2HE LYS 41 3HE LYS 41 -11.452 -4.295 -8.085 318 1HZ LYS 41 1HZ LYS 41 -10.537 -3.264 -9.921 319 1HZ LYS 41 1HZ LYS 41 -9.021 -3.040 -9.184 320 3HZ LYS 41 3HZ LYS 41 -10.345 -2.083 -8.720 321 H LEU 42 H LEU 42 -6.587 -0.318 -3.490 322 HA LEU 42 HA LEU 42 -6.528 -1.596 -0.863 323 1HB LEU 42 2HB LEU 42 -4.398 -0.424 -0.263 324 2HB LEU 42 3HB LEU 42 -4.194 -1.710 -1.447 325 HG LEU 42 HG LEU 42 -4.712 1.054 -2.470 326 1HD1 LEU 42 1HD1 LEU 42 -2.291 1.568 -2.349 327 2HD1 LEU 42 2HD1 LEU 42 -3.004 1.420 -0.743 328 3HD1 LEU 42 3HD1 LEU 42 -2.036 0.101 -1.404 329 1HD2 LEU 42 1HD2 LEU 42 -4.255 -1.320 -3.685 330 2HD2 LEU 42 2HD2 LEU 42 -3.772 0.221 -4.394 331 3HD2 LEU 42 3HD2 LEU 42 -2.594 -0.757 -3.520 332 H GLN 43 H GLN 43 -6.963 -0.225 0.846 333 HA GLN 43 HA GLN 43 -8.173 2.336 0.072 334 1HB GLN 43 2HB GLN 43 -8.614 0.357 2.230 335 2HB GLN 43 3HB GLN 43 -8.787 2.047 2.702 336 1HG GLN 43 2HG GLN 43 -10.446 2.438 1.006 337 2HG GLN 43 3HG GLN 43 -10.137 0.870 0.263 338 1HE2 GLN 43 2HE2 GLN 43 -11.244 2.276 3.398 339 2HE2 GLN 43 1HE2 GLN 43 -12.297 0.994 3.762 340 H LEU 44 H LEU 44 -7.900 4.144 1.661 341 HA LEU 44 HA LEU 44 -5.373 4.141 3.124 342 1HB LEU 44 2HB LEU 44 -4.905 4.838 0.728 343 2HB LEU 44 3HB LEU 44 -5.917 6.248 1.025 344 HG LEU 44 HG LEU 44 -4.449 6.851 2.957 345 1HD1 LEU 44 1HD1 LEU 44 -2.114 5.634 2.764 346 2HD1 LEU 44 2HD1 LEU 44 -3.417 4.889 3.692 347 3HD1 LEU 44 3HD1 LEU 44 -3.073 4.336 2.053 348 1HD2 LEU 44 1HD2 LEU 44 -3.071 6.495 0.275 349 2HD2 LEU 44 2HD2 LEU 44 -4.045 7.878 0.771 350 3HD2 LEU 44 3HD2 LEU 44 -2.502 7.558 1.563 351 H HIS 45 H HIS 45 -6.489 4.469 5.006 352 HA HIS 45 HA HIS 45 -8.507 6.499 5.291 353 1HB HIS 45 2HB HIS 45 -6.988 5.107 7.508 354 2HB HIS 45 3HB HIS 45 -8.585 5.850 7.597 355 HD1 HIS 45 HD1 HIS 45 -10.582 4.526 6.637 356 HD2 HIS 45 HD2 HIS 45 -6.934 2.547 6.205 357 HE1 HIS 45 HE1 HIS 45 -11.128 2.155 5.936 358 H GLY 46 H GLY 46 -7.205 8.270 4.397 359 1HA GLY 46 1HA GLY 46 -4.894 9.237 5.789 360 2HA GLY 46 2HA GLY 46 -5.803 10.097 4.551 361 H ALA 47 H ALA 47 -7.606 11.361 5.152 362 HA ALA 47 HA ALA 47 -8.759 12.840 6.468 363 1HB ALA 47 1HB ALA 47 -9.839 11.917 8.236 364 2HB ALA 47 2HB ALA 47 -9.082 10.424 7.681 365 3HB ALA 47 3HB ALA 47 -8.345 11.356 8.987 366 H CYS 48 H CYS 48 -5.640 12.561 6.463 367 HA CYS 48 HA CYS 48 -4.580 13.573 8.835 368 1HB CYS 48 2HB CYS 48 -3.356 12.762 6.722 369 2HB CYS 48 3HB CYS 48 -3.584 14.402 6.112 370 HG CYS 48 HG CYS 48 -2.028 13.806 8.765 371 H GLY 49 H GLY 49 -6.742 15.030 6.675 372 1HA GLY 49 1HA GLY 49 -7.509 17.213 7.965 373 2HA GLY 49 2HA GLY 49 -5.973 17.778 7.314 374 H THR 50 H THR 50 -8.313 19.035 6.593 375 HA THR 50 HA THR 50 -9.586 18.086 4.279 376 HB THR 50 HB THR 50 -10.383 20.007 5.633 377 HG1 THR 50 HG1 THR 50 -11.198 21.017 3.902 378 1HG2 THR 50 1HG2 THR 50 -9.329 22.154 5.507 379 2HG2 THR 50 2HG2 THR 50 -8.055 20.999 5.899 380 3HG2 THR 50 3HG2 THR 50 -8.218 21.608 4.251 381 H CYS 51 H CYS 51 -9.038 18.053 2.158 382 HA CYS 51 HA CYS 51 -7.639 18.016 0.326 383 1HB CYS 51 2HB CYS 51 -8.317 20.319 0.152 384 2HB CYS 51 3HB CYS 51 -7.161 20.809 1.390 385 HG CYS 51 HG CYS 51 -6.477 20.789 -1.441 386 HA PRO 52 HA PRO 52 -3.923 17.098 2.959 387 1HB PRO 52 2HB PRO 52 -3.891 14.442 1.848 388 2HB PRO 52 3HB PRO 52 -4.207 14.930 3.518 389 1HG PRO 52 2HG PRO 52 -6.053 13.869 1.731 390 2HG PRO 52 3HG PRO 52 -6.414 14.668 3.266 391 1HD PRO 52 2HD PRO 52 -6.714 15.696 0.509 392 2HD PRO 52 3HD PRO 52 -7.520 16.216 2.005 393 H SER 53 H SER 53 -2.389 18.218 1.901 394 HA SER 53 HA SER 53 -1.731 17.714 -0.874 395 1HB SER 53 2HB SER 53 -1.622 19.992 0.007 396 2HB SER 53 3HB SER 53 -0.436 19.493 1.209 397 HG SER 53 HG SER 53 0.382 20.469 -0.803 398 H SER 54 H SER 54 -0.911 16.345 2.089 399 HA SER 54 HA SER 54 1.812 15.597 1.386 400 1HB SER 54 2HB SER 54 1.425 16.044 3.703 401 2HB SER 54 3HB SER 54 0.027 14.976 3.742 402 HG SER 54 HG SER 54 1.928 13.479 2.862 403 H THR 55 H THR 55 -1.286 13.901 1.955 404 HA THR 55 HA THR 55 -0.535 11.301 1.493 405 HB THR 55 HB THR 55 -3.085 12.618 0.527 406 HG1 THR 55 HG1 THR 55 -3.442 11.237 2.711 407 1HG2 THR 55 1HG2 THR 55 -3.865 10.159 1.094 408 2HG2 THR 55 2HG2 THR 55 -3.139 10.513 -0.472 409 3HG2 THR 55 3HG2 THR 55 -2.170 9.772 0.801 410 H ILE 56 H ILE 56 -1.057 13.839 -0.897 411 HA ILE 56 HA ILE 56 -1.072 12.277 -3.230 412 HB ILE 56 HB ILE 56 -0.030 15.085 -2.757 413 1HG1 ILE 56 2HG1 ILE 56 -2.605 14.184 -4.076 414 2HG1 ILE 56 3HG1 ILE 56 -2.499 14.517 -2.347 415 1HG2 ILE 56 1HG2 ILE 56 -0.566 13.566 -5.329 416 2HG2 ILE 56 2HG2 ILE 56 -0.322 15.310 -5.247 417 3HG2 ILE 56 3HG2 ILE 56 0.982 14.214 -4.787 418 1HD1 ILE 56 1HD1 ILE 56 -2.049 16.438 -4.639 419 2HD1 ILE 56 2HD1 ILE 56 -3.240 16.554 -3.344 420 3HD1 ILE 56 3HD1 ILE 56 -1.528 16.797 -2.991 421 H THR 57 H THR 57 1.622 13.761 -1.451 422 HA THR 57 HA THR 57 3.696 12.856 -3.157 423 HB THR 57 HB THR 57 3.794 13.502 -0.196 424 HG1 THR 57 HG1 THR 57 4.562 15.537 -1.108 425 1HG2 THR 57 1HG2 THR 57 6.203 14.092 -0.842 426 2HG2 THR 57 2HG2 THR 57 5.813 12.374 -0.768 427 3HG2 THR 57 3HG2 THR 57 5.914 13.190 -2.329 428 H LEU 58 H LEU 58 2.317 11.553 -0.155 429 HA LEU 58 HA LEU 58 3.997 9.341 0.154 430 1HB LEU 58 2HB LEU 58 2.355 10.170 1.845 431 2HB LEU 58 3HB LEU 58 1.058 9.497 0.861 432 HG LEU 58 HG LEU 58 2.137 7.248 1.045 433 1HD1 LEU 58 1HD1 LEU 58 4.390 7.516 1.501 434 2HD1 LEU 58 2HD1 LEU 58 4.119 8.892 2.570 435 3HD1 LEU 58 3HD1 LEU 58 3.796 7.254 3.139 436 1HD2 LEU 58 1HD2 LEU 58 1.439 6.851 3.351 437 2HD2 LEU 58 2HD2 LEU 58 1.590 8.567 3.726 438 3HD2 LEU 58 3HD2 LEU 58 0.339 8.014 2.613 439 H LYS 59 H LYS 59 0.738 9.405 -1.320 440 HA LYS 59 HA LYS 59 0.542 6.817 -2.206 441 1HB LYS 59 2HB LYS 59 -1.157 8.700 -2.437 442 2HB LYS 59 3HB LYS 59 -0.298 9.171 -3.902 443 1HG LYS 59 2HG LYS 59 -0.590 6.755 -4.686 444 2HG LYS 59 3HG LYS 59 -1.719 6.558 -3.343 445 1HD LYS 59 2HD LYS 59 -1.986 8.752 -5.415 446 2HD LYS 59 3HD LYS 59 -2.784 7.189 -5.562 447 1HE LYS 59 2HE LYS 59 -4.439 8.453 -4.509 448 2HE LYS 59 3HE LYS 59 -3.637 7.706 -3.129 449 1HZ LYS 59 1HZ LYS 59 -2.251 10.043 -3.766 450 1HZ LYS 59 1HZ LYS 59 -3.165 9.713 -2.373 451 3HZ LYS 59 3HZ LYS 59 -3.901 10.434 -3.724 452 H ALA 60 H ALA 60 1.911 9.524 -4.084 453 HA ALA 60 HA ALA 60 2.804 7.986 -6.269 454 1HB ALA 60 1HB ALA 60 3.954 10.572 -5.195 455 2HB ALA 60 2HB ALA 60 4.196 9.920 -6.814 456 3HB ALA 60 3HB ALA 60 2.592 10.448 -6.309 457 H GLY 61 H GLY 61 4.147 8.544 -3.103 458 1HA GLY 61 1HA GLY 61 6.843 7.837 -3.639 459 2HA GLY 61 2HA GLY 61 6.057 7.789 -2.062 460 H ILE 62 H ILE 62 4.034 5.976 -2.524 461 HA ILE 62 HA ILE 62 5.381 3.503 -2.228 462 HB ILE 62 HB ILE 62 2.509 3.459 -2.996 463 1HG1 ILE 62 2HG1 ILE 62 3.611 4.927 -0.583 464 2HG1 ILE 62 3HG1 ILE 62 2.478 5.529 -1.788 465 1HG2 ILE 62 1HG2 ILE 62 4.009 1.565 -2.033 466 2HG2 ILE 62 2HG2 ILE 62 3.830 2.409 -0.494 467 3HG2 ILE 62 3HG2 ILE 62 2.407 1.790 -1.332 468 1HD1 ILE 62 1HD1 ILE 62 1.134 3.337 -0.883 469 2HD1 ILE 62 2HD1 ILE 62 1.981 3.840 0.580 470 3HD1 ILE 62 3HD1 ILE 62 0.907 4.966 -0.249 471 H GLU 63 H GLU 63 3.089 4.476 -4.808 472 HA GLU 63 HA GLU 63 3.373 2.381 -6.539 473 1HB GLU 63 2HB GLU 63 2.010 4.608 -6.746 474 2HB GLU 63 3HB GLU 63 3.410 5.167 -7.659 475 1HG GLU 63 2HG GLU 63 3.201 3.258 -9.191 476 2HG GLU 63 3HG GLU 63 1.844 2.636 -8.254 477 H ARG 64 H ARG 64 5.427 5.288 -6.484 478 HA ARG 64 HA ARG 64 7.225 4.583 -8.498 479 1HB ARG 64 2HB ARG 64 7.035 6.809 -7.273 480 2HB ARG 64 3HB ARG 64 7.979 6.073 -5.978 481 1HG ARG 64 2HG ARG 64 9.706 5.473 -7.770 482 2HG ARG 64 3HG ARG 64 8.820 6.557 -8.844 483 1HD ARG 64 2HD ARG 64 10.015 7.318 -6.163 484 2HD ARG 64 3HD ARG 64 10.686 7.736 -7.737 485 HE ARG 64 HE ARG 64 8.408 8.979 -6.438 486 1HH1 ARG 64 1HH2 ARG 64 10.740 9.280 -8.834 487 2HH1 ARG 64 2HH2 ARG 64 9.771 10.222 -9.919 488 1HH2 ARG 64 1HH1 ARG 64 6.855 9.809 -8.093 489 2HH2 ARG 64 2HH1 ARG 64 7.576 10.523 -9.498 490 H ALA 65 H ALA 65 7.193 3.763 -5.052 491 HA ALA 65 HA ALA 65 9.711 2.556 -4.848 492 1HB ALA 65 1HB ALA 65 8.990 1.685 -2.817 493 2HB ALA 65 2HB ALA 65 7.890 3.050 -3.026 494 3HB ALA 65 3HB ALA 65 7.348 1.413 -3.398 495 H LEU 66 H LEU 66 6.582 1.192 -5.849 496 HA LEU 66 HA LEU 66 7.394 -1.487 -6.110 497 1HB LEU 66 2HB LEU 66 5.396 -0.106 -7.912 498 2HB LEU 66 3HB LEU 66 5.442 -1.807 -7.457 499 HG LEU 66 HG LEU 66 4.933 0.514 -5.566 500 1HD1 LEU 66 1HD1 LEU 66 2.659 -0.177 -5.532 501 2HD1 LEU 66 2HD1 LEU 66 3.104 -0.166 -7.238 502 3HD1 LEU 66 3HD1 LEU 66 3.025 -1.692 -6.359 503 1HD2 LEU 66 1HD2 LEU 66 5.368 -2.430 -5.186 504 2HD2 LEU 66 2HD2 LEU 66 5.894 -1.083 -4.177 505 3HD2 LEU 66 3HD2 LEU 66 4.212 -1.609 -4.140 506 H HIS 67 H HIS 67 7.245 1.089 -8.581 507 HA HIS 67 HA HIS 67 8.400 -0.389 -10.678 508 1HB HIS 67 2HB HIS 67 8.276 2.567 -10.086 509 2HB HIS 67 3HB HIS 67 9.061 1.940 -11.536 510 HD1 HIS 67 HD1 HIS 67 7.446 2.261 -13.411 511 HD2 HIS 67 HD2 HIS 67 5.549 0.863 -9.972 512 HE1 HIS 67 HE1 HIS 67 5.034 1.825 -14.049 513 H GLU 68 H GLU 68 9.956 2.061 -8.609 514 HA GLU 68 HA GLU 68 12.602 1.478 -9.437 515 1HB GLU 68 2HB GLU 68 11.595 3.558 -8.192 516 2HB GLU 68 3HB GLU 68 11.987 2.638 -6.742 517 1HG GLU 68 2HG GLU 68 14.330 2.333 -7.839 518 2HG GLU 68 3HG GLU 68 13.851 3.676 -8.873 519 H GLU 69 H GLU 69 10.492 -0.288 -7.476 520 HA GLU 69 HA GLU 69 12.601 -2.106 -6.693 521 1HB GLU 69 2HB GLU 69 11.684 -0.109 -4.846 522 2HB GLU 69 3HB GLU 69 11.142 -1.691 -4.283 523 1HG GLU 69 2HG GLU 69 13.443 -2.558 -4.503 524 2HG GLU 69 3HG GLU 69 13.986 -0.975 -5.054 525 H VAL 70 H VAL 70 11.620 -3.717 -7.742 526 HA VAL 70 HA VAL 70 10.311 -5.585 -7.954 527 HB VAL 70 HB VAL 70 8.708 -4.401 -5.683 528 1HG1 VAL 70 1HG1 VAL 70 8.167 -7.018 -5.570 529 2HG1 VAL 70 2HG1 VAL 70 7.204 -5.922 -6.557 530 3HG1 VAL 70 3HG1 VAL 70 8.467 -6.899 -7.304 531 1HG2 VAL 70 1HG2 VAL 70 10.796 -6.600 -5.732 532 2HG2 VAL 70 2HG2 VAL 70 11.052 -4.972 -5.105 533 3HG2 VAL 70 3HG2 VAL 70 9.907 -6.051 -4.311 534 HA PRO 71 HA PRO 71 7.457 -2.893 -10.410 535 1HB PRO 71 2HB PRO 71 8.639 -3.998 -12.800 536 2HB PRO 71 3HB PRO 71 8.716 -2.334 -12.212 537 1HG PRO 71 2HG PRO 71 10.837 -4.097 -12.345 538 2HG PRO 71 3HG PRO 71 10.781 -2.621 -11.372 539 1HD PRO 71 2HD PRO 71 10.456 -5.453 -10.510 540 2HD PRO 71 3HD PRO 71 11.085 -4.057 -9.607 541 H GLY 72 H GLY 72 6.871 -4.232 -12.964 542 1HA GLY 72 1HA GLY 72 5.855 -6.194 -13.808 543 2HA GLY 72 2HA GLY 72 5.815 -6.850 -12.174 544 H VAL 73 H VAL 73 4.780 -4.114 -11.281 545 HA VAL 73 HA VAL 73 2.023 -4.759 -11.230 546 HB VAL 73 HB VAL 73 1.743 -2.729 -10.032 547 1HG1 VAL 73 1HG1 VAL 73 3.411 -4.550 -9.141 548 2HG1 VAL 73 2HG1 VAL 73 4.628 -3.303 -9.418 549 3HG1 VAL 73 3HG1 VAL 73 3.292 -3.002 -8.305 550 1HG2 VAL 73 1HG2 VAL 73 4.146 -1.854 -11.613 551 2HG2 VAL 73 2HG2 VAL 73 2.618 -1.011 -11.355 552 3HG2 VAL 73 3HG2 VAL 73 3.813 -1.087 -10.059 553 H ILE 74 H ILE 74 0.272 -3.732 -12.191 554 HA ILE 74 HA ILE 74 0.891 -2.317 -14.712 555 HB ILE 74 HB ILE 74 -1.662 -3.764 -14.603 556 1HG1 ILE 74 2HG1 ILE 74 0.979 -5.235 -14.385 557 2HG1 ILE 74 3HG1 ILE 74 -0.453 -5.433 -13.378 558 1HG2 ILE 74 1HG2 ILE 74 0.615 -4.014 -16.576 559 2HG2 ILE 74 2HG2 ILE 74 -1.109 -4.246 -16.869 560 3HG2 ILE 74 3HG2 ILE 74 -0.473 -2.626 -16.584 561 1HD1 ILE 74 1HD1 ILE 74 0.049 -6.405 -16.166 562 2HD1 ILE 74 2HD1 ILE 74 -0.688 -7.246 -14.805 563 3HD1 ILE 74 3HD1 ILE 74 -1.607 -6.026 -15.687 564 H GLU 75 H GLU 75 -1.153 -2.588 -11.886 565 HA GLU 75 HA GLU 75 -1.997 0.172 -12.146 566 1HB GLU 75 2HB GLU 75 -3.963 -2.108 -12.447 567 2HB GLU 75 3HB GLU 75 -4.455 -0.490 -11.948 568 1HG GLU 75 2HG GLU 75 -3.193 0.316 -14.071 569 2HG GLU 75 3HG GLU 75 -3.278 -1.369 -14.581 570 H VAL 76 H VAL 76 -2.994 0.965 -10.222 571 HA VAL 76 HA VAL 76 -3.240 -0.831 -7.935 572 HB VAL 76 HB VAL 76 -0.830 -0.108 -8.007 573 1HG1 VAL 76 1HG1 VAL 76 -0.194 2.125 -7.832 574 2HG1 VAL 76 2HG1 VAL 76 -1.606 2.256 -8.881 575 3HG1 VAL 76 3HG1 VAL 76 -1.746 2.624 -7.161 576 1HG2 VAL 76 1HG2 VAL 76 -2.215 1.148 -5.639 577 2HG2 VAL 76 2HG2 VAL 76 -2.247 -0.598 -5.886 578 3HG2 VAL 76 3HG2 VAL 76 -0.708 0.236 -5.676 579 H GLU 77 H GLU 77 -5.117 -0.313 -7.006 580 HA GLU 77 HA GLU 77 -6.218 2.379 -7.461 581 1HB GLU 77 2HB GLU 77 -7.693 0.128 -6.124 582 2HB GLU 77 3HB GLU 77 -8.340 1.476 -7.055 583 1HG GLU 77 2HG GLU 77 -6.704 -0.825 -8.173 584 2HG GLU 77 3HG GLU 77 -8.442 -0.616 -8.355 585 H GLN 78 H GLN 78 -6.201 3.890 -5.959 586 HA GLN 78 HA GLN 78 -5.851 3.120 -3.117 587 1HB GLN 78 2HB GLN 78 -4.722 5.411 -4.718 588 2HB GLN 78 3HB GLN 78 -4.853 5.504 -2.964 589 1HG GLN 78 2HG GLN 78 -3.699 2.970 -3.864 590 2HG GLN 78 3HG GLN 78 -2.751 4.360 -4.383 591 1HE2 GLN 78 2HE2 GLN 78 -4.639 4.630 -1.421 592 2HE2 GLN 78 1HE2 GLN 78 -3.320 4.557 -0.358 593 H VAL 79 H VAL 79 -8.183 3.029 -2.917 594 HA VAL 79 HA VAL 79 -9.635 5.547 -3.297 595 HB VAL 79 HB VAL 79 -11.583 4.021 -2.462 596 1HG1 VAL 79 1HG1 VAL 79 -11.838 3.134 -4.773 597 2HG1 VAL 79 2HG1 VAL 79 -11.359 4.831 -4.763 598 3HG1 VAL 79 3HG1 VAL 79 -10.164 3.581 -5.108 599 1HG2 VAL 79 1HG2 VAL 79 -11.255 1.682 -2.626 600 2HG2 VAL 79 2HG2 VAL 79 -9.720 1.868 -3.476 601 3HG2 VAL 79 3HG2 VAL 79 -9.828 2.241 -1.754 602 H PHE 80 H PHE 80 -10.980 6.430 -1.639 603 HA PHE 80 HA PHE 80 -9.771 6.211 1.038 604 1HB PHE 80 2HB PHE 80 -11.100 8.356 -0.511 605 2HB PHE 80 3HB PHE 80 -11.478 8.315 1.209 606 HD1 PHE 80 HD1 PHE 80 -10.226 9.953 2.292 607 HD2 PHE 80 HD2 PHE 80 -8.335 7.511 -0.697 608 HE1 PHE 80 HE1 PHE 80 -8.047 11.026 2.794 609 HE2 PHE 80 HE2 PHE 80 -6.157 8.584 -0.192 610 HZ PHE 80 HZ PHE 80 -6.014 10.340 1.552 611 H LEU 81 H LEU 81 -11.513 6.778 2.815 612 HA LEU 81 HA LEU 81 -13.606 4.739 2.530 613 1HB LEU 81 2HB LEU 81 -12.068 4.760 4.535 614 2HB LEU 81 3HB LEU 81 -12.832 6.272 5.023 615 HG LEU 81 HG LEU 81 -15.061 4.859 4.658 616 1HD1 LEU 81 1HD1 LEU 81 -14.870 2.551 4.954 617 2HD1 LEU 81 2HD1 LEU 81 -13.476 2.892 3.930 618 3HD1 LEU 81 3HD1 LEU 81 -13.263 2.672 5.666 619 1HD2 LEU 81 1HD2 LEU 81 -14.955 4.251 7.076 620 2HD2 LEU 81 2HD2 LEU 81 -13.230 4.620 7.068 621 3HD2 LEU 81 3HD2 LEU 81 -14.409 5.899 6.774 622 H GLU 82 H GLU 82 -14.858 6.024 1.084 623 HA GLU 82 HA GLU 82 -15.863 8.527 1.254 624 1HB GLU 82 2HB GLU 82 -18.151 7.294 0.571 625 2HB GLU 82 3HB GLU 82 -16.791 7.450 -0.538 626 1HG GLU 82 2HG GLU 82 -16.028 5.226 -0.061 627 2HG GLU 82 3HG GLU 82 -17.127 5.073 1.308 628 H HIS 83 H HIS 83 -18.229 6.146 2.300 629 HA HIS 83 HA HIS 83 -19.587 7.793 4.071 630 1HB HIS 83 2HB HIS 83 -20.316 5.569 5.155 631 2HB HIS 83 3HB HIS 83 -20.683 5.792 3.446 632 HD1 HIS 83 HD1 HIS 83 -17.167 5.252 3.556 633 HD2 HIS 83 HD2 HIS 83 -20.469 2.731 3.882 634 HE1 HIS 83 HE1 HIS 83 -16.334 2.918 3.051 635 H HIS 84 H HIS 84 -18.259 8.965 5.430 636 HA HIS 84 HA HIS 84 -16.126 7.925 6.944 637 1HB HIS 84 2HB HIS 84 -16.614 10.371 6.447 638 2HB HIS 84 3HB HIS 84 -17.813 10.302 7.738 639 HD1 HIS 84 HD1 HIS 84 -16.922 9.816 10.170 640 HD2 HIS 84 HD2 HIS 84 -13.934 10.422 7.328 641 HE1 HIS 84 HE1 HIS 84 -14.774 10.176 11.458 642 H HIS 85 H HIS 85 -16.026 6.821 8.780 643 HA HIS 85 HA HIS 85 -18.487 5.979 10.082 644 1HB HIS 85 2HB HIS 85 -17.063 4.434 11.308 645 2HB HIS 85 3HB HIS 85 -16.639 4.378 9.599 646 HD1 HIS 85 HD1 HIS 85 -15.137 7.356 10.140 647 HD2 HIS 85 HD2 HIS 85 -14.270 3.608 11.750 648 HE1 HIS 85 HE1 HIS 85 -12.726 7.445 10.903 649 H HIS 86 H HIS 86 -17.805 5.680 12.700 650 HA HIS 86 HA HIS 86 -17.292 8.453 13.601 651 1HB HIS 86 2HB HIS 86 -19.652 7.857 13.897 652 2HB HIS 86 3HB HIS 86 -19.188 6.413 14.796 653 HD1 HIS 86 HD1 HIS 86 -20.721 7.751 16.683 654 HD2 HIS 86 HD2 HIS 86 -16.928 9.280 15.878 655 HE1 HIS 86 HE1 HIS 86 -20.119 9.238 18.641 656 H HIS 87 H HIS 87 -15.065 7.188 13.400 657 HA HIS 87 HA HIS 87 -13.274 6.167 14.444 658 1HB HIS 87 2HB HIS 87 -14.522 7.739 16.710 659 2HB HIS 87 3HB HIS 87 -12.903 7.042 16.758 660 HD1 HIS 87 HD1 HIS 87 -14.624 10.069 15.846 661 HD2 HIS 87 HD2 HIS 87 -11.275 8.052 14.402 662 HE1 HIS 87 HE1 HIS 87 -13.307 11.750 14.484 663 H HIS 88 H HIS 88 -15.871 4.670 14.472 664 HA HIS 88 HA HIS 88 -15.941 3.238 16.980 665 1HB HIS 88 2HB HIS 88 -17.948 3.652 15.512 666 2HB HIS 88 3HB HIS 88 -17.267 2.509 14.356 667 HD1 HIS 88 HD1 HIS 88 -17.118 2.054 18.115 668 HD2 HIS 88 HD2 HIS 88 -19.078 0.423 14.817 669 HE1 HIS 88 HE1 HIS 88 -18.312 -0.019 18.945 Start of MODEL 9 1 1H MET 1 1HT MET 1 5.949 -30.988 -3.906 2 2H MET 1 2HT MET 1 5.228 -30.860 -5.439 3 3H MET 1 3HT MET 1 5.046 -32.282 -4.530 4 HA MET 1 HA MET 1 3.159 -30.489 -4.628 5 1HB MET 1 2HB MET 1 2.506 -31.258 -2.309 6 2HB MET 1 3HB MET 1 2.927 -32.562 -3.418 7 1HG MET 1 2HG MET 1 5.080 -31.372 -1.692 8 2HG MET 1 3HG MET 1 3.950 -32.520 -0.981 9 1HE MET 1 1HE MET 1 7.319 -32.224 -2.694 10 2HE MET 1 2HE MET 1 7.658 -33.878 -2.192 11 3HE MET 1 3HE MET 1 6.925 -32.753 -1.051 12 HA PRO 2 HA PRO 2 6.079 -27.219 -2.654 13 1HB PRO 2 2HB PRO 2 4.819 -25.381 -4.479 14 2HB PRO 2 3HB PRO 2 6.511 -25.899 -4.443 15 1HG PRO 2 2HG PRO 2 4.329 -26.789 -6.167 16 2HG PRO 2 3HG PRO 2 6.078 -26.948 -6.381 17 1HD PRO 2 2HD PRO 2 4.439 -29.064 -5.810 18 2HD PRO 2 3HD PRO 2 6.153 -29.005 -5.341 19 H THR 3 H THR 3 5.365 -25.980 -0.991 20 HA THR 3 HA THR 3 2.735 -26.133 -0.042 21 HB THR 3 HB THR 3 3.687 -23.852 1.147 22 HG1 THR 3 HG1 THR 3 5.795 -23.814 1.063 23 1HG2 THR 3 1HG2 THR 3 4.215 -26.765 1.761 24 2HG2 THR 3 2HG2 THR 3 4.582 -25.457 2.887 25 3HG2 THR 3 3HG2 THR 3 2.916 -25.751 2.390 26 H GLU 4 H GLU 4 1.245 -24.331 0.348 27 HA GLU 4 HA GLU 4 1.347 -22.089 -1.499 28 1HB GLU 4 2HB GLU 4 0.250 -24.218 -2.611 29 2HB GLU 4 3HB GLU 4 -1.139 -23.761 -1.626 30 1HG GLU 4 2HG GLU 4 -0.749 -21.372 -2.594 31 2HG GLU 4 3HG GLU 4 0.205 -22.199 -3.824 32 H ASN 5 H ASN 5 1.431 -22.339 1.330 33 HA ASN 5 HA ASN 5 -1.202 -21.316 2.181 34 1HB ASN 5 2HB ASN 5 0.498 -23.183 3.357 35 2HB ASN 5 3HB ASN 5 0.759 -21.719 4.300 36 1HD2 ASN 5 2HD2 ASN 5 -1.400 -20.576 4.985 37 2HD2 ASN 5 1HD2 ASN 5 -2.677 -21.597 5.440 38 HA PRO 6 HA PRO 6 1.895 -17.940 3.571 39 1HB PRO 6 2HB PRO 6 4.495 -18.391 2.395 40 2HB PRO 6 3HB PRO 6 4.051 -18.418 4.106 41 1HG PRO 6 2HG PRO 6 4.843 -20.605 2.640 42 2HG PRO 6 3HG PRO 6 3.932 -20.666 4.155 43 1HD PRO 6 2HD PRO 6 2.947 -20.991 1.351 44 2HD PRO 6 3HD PRO 6 2.388 -21.775 2.846 45 H THR 7 H THR 7 0.296 -17.869 1.424 46 HA THR 7 HA THR 7 1.533 -17.088 -1.020 47 HB THR 7 HB THR 7 -0.667 -16.571 -1.779 48 HG1 THR 7 HG1 THR 7 -1.834 -15.461 -0.456 49 1HG2 THR 7 1HG2 THR 7 -1.155 -18.698 0.308 50 2HG2 THR 7 2HG2 THR 7 -1.822 -18.588 -1.320 51 3HG2 THR 7 3HG2 THR 7 -0.122 -18.996 -1.089 52 H MET 8 H MET 8 0.735 -14.852 -1.975 53 HA MET 8 HA MET 8 2.270 -12.823 -0.916 54 1HB MET 8 2HB MET 8 -0.221 -12.718 -2.621 55 2HB MET 8 3HB MET 8 0.697 -11.271 -2.203 56 1HG MET 8 2HG MET 8 1.529 -12.021 -4.323 57 2HG MET 8 3HG MET 8 2.752 -12.442 -3.125 58 1HE MET 8 1HE MET 8 -0.033 -15.163 -5.506 59 2HE MET 8 2HE MET 8 0.288 -13.443 -5.705 60 3HE MET 8 3HE MET 8 -0.714 -13.994 -4.365 61 H PHE 9 H PHE 9 -1.233 -13.265 -0.507 62 HA PHE 9 HA PHE 9 -1.957 -11.150 1.030 63 1HB PHE 9 2HB PHE 9 -3.427 -13.040 0.315 64 2HB PHE 9 3HB PHE 9 -2.757 -14.003 1.629 65 HD1 PHE 9 HD1 PHE 9 -4.918 -11.162 0.752 66 HD2 PHE 9 HD2 PHE 9 -3.234 -13.450 3.977 67 HE1 PHE 9 HE1 PHE 9 -6.543 -10.144 2.324 68 HE2 PHE 9 HE2 PHE 9 -4.857 -12.428 5.549 69 HZ PHE 9 HZ PHE 9 -6.512 -10.777 4.721 70 H ASP 10 H ASP 10 -0.194 -14.001 2.131 71 HA ASP 10 HA ASP 10 -0.234 -13.504 4.891 72 1HB ASP 10 2HB ASP 10 0.553 -15.600 3.671 73 2HB ASP 10 3HB ASP 10 2.072 -14.754 3.394 74 H GLN 11 H GLN 11 2.457 -12.866 2.640 75 HA GLN 11 HA GLN 11 4.009 -11.333 4.409 76 1HB GLN 11 2HB GLN 11 4.308 -12.319 1.852 77 2HB GLN 11 3HB GLN 11 4.264 -10.579 1.588 78 1HG GLN 11 2HG GLN 11 6.043 -10.241 3.227 79 2HG GLN 11 3HG GLN 11 6.061 -11.963 3.601 80 1HE2 GLN 11 2HE2 GLN 11 5.617 -10.888 0.263 81 2HE2 GLN 11 1HE2 GLN 11 7.148 -11.378 -0.284 82 H VAL 12 H VAL 12 2.018 -10.146 1.688 83 HA VAL 12 HA VAL 12 2.365 -7.449 2.125 84 HB VAL 12 HB VAL 12 0.345 -7.105 0.865 85 1HG1 VAL 12 1HG1 VAL 12 2.389 -8.225 -0.155 86 2HG1 VAL 12 2HG1 VAL 12 1.479 -9.732 -0.058 87 3HG1 VAL 12 3HG1 VAL 12 0.874 -8.400 -1.041 88 1HG2 VAL 12 1HG2 VAL 12 -0.301 -9.928 1.729 89 2HG2 VAL 12 2HG2 VAL 12 -1.292 -8.481 1.917 90 3HG2 VAL 12 3HG2 VAL 12 -1.066 -9.195 0.322 91 H ALA 13 H ALA 13 -0.399 -9.373 3.303 92 HA ALA 13 HA ALA 13 -1.526 -7.431 4.881 93 1HB ALA 13 1HB ALA 13 -1.424 -10.363 5.612 94 2HB ALA 13 2HB ALA 13 -2.660 -9.192 6.069 95 3HB ALA 13 3HB ALA 13 -2.506 -9.698 4.388 96 H GLU 14 H GLU 14 1.057 -9.716 5.618 97 HA GLU 14 HA GLU 14 1.360 -9.113 8.364 98 1HB GLU 14 2HB GLU 14 2.342 -11.101 7.282 99 2HB GLU 14 3HB GLU 14 3.453 -10.063 6.393 100 1HG GLU 14 2HG GLU 14 3.317 -9.857 9.384 101 2HG GLU 14 3HG GLU 14 4.222 -11.178 8.648 102 H VAL 15 H VAL 15 3.297 -8.013 5.587 103 HA VAL 15 HA VAL 15 4.878 -6.172 6.997 104 HB VAL 15 HB VAL 15 4.043 -6.153 4.086 105 1HG1 VAL 15 1HG1 VAL 15 6.212 -4.688 5.611 106 2HG1 VAL 15 2HG1 VAL 15 6.217 -4.864 3.856 107 3HG1 VAL 15 3HG1 VAL 15 4.912 -3.983 4.651 108 1HG2 VAL 15 1HG2 VAL 15 6.546 -7.220 5.435 109 2HG2 VAL 15 2HG2 VAL 15 5.200 -8.224 4.901 110 3HG2 VAL 15 3HG2 VAL 15 6.151 -7.326 3.719 111 H ILE 16 H ILE 16 1.894 -5.628 5.116 112 HA ILE 16 HA ILE 16 1.699 -2.869 5.424 113 HB ILE 16 HB ILE 16 -0.446 -4.988 5.197 114 1HG1 ILE 16 2HG1 ILE 16 0.318 -2.942 3.128 115 2HG1 ILE 16 3HG1 ILE 16 1.328 -4.372 3.342 116 1HG2 ILE 16 1HG2 ILE 16 -0.666 -1.965 5.178 117 2HG2 ILE 16 2HG2 ILE 16 -1.906 -3.026 4.510 118 3HG2 ILE 16 3HG2 ILE 16 -1.520 -3.095 6.229 119 1HD1 ILE 16 1HD1 ILE 16 -0.372 -5.834 2.683 120 2HD1 ILE 16 2HD1 ILE 16 -1.650 -4.684 3.067 121 3HD1 ILE 16 3HD1 ILE 16 -0.656 -4.451 1.630 122 H GLU 17 H GLU 17 0.227 -5.399 7.474 123 HA GLU 17 HA GLU 17 -0.977 -3.797 9.382 124 1HB GLU 17 2HB GLU 17 -0.882 -6.401 9.121 125 2HB GLU 17 3HB GLU 17 0.486 -6.279 10.223 126 1HG GLU 17 2HG GLU 17 -2.264 -5.116 10.761 127 2HG GLU 17 3HG GLU 17 -1.687 -6.651 11.405 128 H ARG 18 H ARG 18 2.369 -4.997 9.339 129 HA ARG 18 HA ARG 18 3.164 -3.789 11.774 130 1HB ARG 18 2HB ARG 18 4.316 -5.655 10.416 131 2HB ARG 18 3HB ARG 18 5.021 -4.346 9.469 132 1HG ARG 18 2HG ARG 18 6.639 -4.673 11.131 133 2HG ARG 18 3HG ARG 18 5.680 -3.354 11.803 134 1HD ARG 18 2HD ARG 18 4.275 -5.401 12.805 135 2HD ARG 18 3HD ARG 18 5.828 -6.216 12.642 136 HE ARG 18 HE ARG 18 5.424 -3.735 14.215 137 1HH1 ARG 18 1HH2 ARG 18 8.266 -4.303 13.710 138 2HH1 ARG 18 2HH2 ARG 18 8.720 -5.313 15.043 139 1HH2 ARG 18 1HH1 ARG 18 5.458 -6.107 15.900 140 2HH2 ARG 18 2HH1 ARG 18 7.132 -6.330 16.286 141 H LEU 19 H LEU 19 3.234 -2.689 8.413 142 HA LEU 19 HA LEU 19 4.700 -0.283 8.985 143 1HB LEU 19 2HB LEU 19 4.533 -1.571 6.752 144 2HB LEU 19 3HB LEU 19 3.004 -0.717 6.541 145 HG LEU 19 HG LEU 19 4.426 1.407 7.165 146 1HD1 LEU 19 1HD1 LEU 19 6.582 -0.344 5.966 147 2HD1 LEU 19 2HD1 LEU 19 6.749 1.289 6.612 148 3HD1 LEU 19 3HD1 LEU 19 6.437 -0.064 7.701 149 1HD2 LEU 19 1HD2 LEU 19 3.337 0.964 4.974 150 2HD2 LEU 19 2HD2 LEU 19 4.903 1.756 4.784 151 3HD2 LEU 19 3HD2 LEU 19 4.748 0.024 4.481 152 H ARG 20 H ARG 20 1.328 -1.169 8.949 153 HA ARG 20 HA ARG 20 -0.072 1.084 8.442 154 1HB ARG 20 2HB ARG 20 -0.448 -1.189 10.240 155 2HB ARG 20 3HB ARG 20 -1.299 0.259 10.770 156 1HG ARG 20 2HG ARG 20 -2.309 0.485 8.525 157 2HG ARG 20 3HG ARG 20 -1.477 -0.981 8.007 158 1HD ARG 20 2HD ARG 20 -2.750 -2.356 9.424 159 2HD ARG 20 3HD ARG 20 -3.236 -1.006 10.446 160 HE ARG 20 HE ARG 20 -4.196 -1.162 7.657 161 1HH1 ARG 20 1HH2 ARG 20 -5.069 -2.320 10.680 162 2HH1 ARG 20 2HH2 ARG 20 -6.630 -1.573 10.725 163 1HH2 ARG 20 1HH1 ARG 20 -6.101 0.336 7.883 164 2HH2 ARG 20 2HH1 ARG 20 -7.216 -0.075 9.145 165 HA PRO 21 HA PRO 21 0.485 2.737 13.084 166 1HB PRO 21 2HB PRO 21 3.190 1.997 13.746 167 2HB PRO 21 3HB PRO 21 1.695 1.576 14.595 168 1HG PRO 21 2HG PRO 21 3.285 -0.004 12.730 169 2HG PRO 21 3HG PRO 21 2.082 -0.526 13.915 170 1HD PRO 21 2HD PRO 21 1.642 -0.602 11.222 171 2HD PRO 21 3HD PRO 21 0.337 -0.386 12.409 172 H PHE 22 H PHE 22 3.187 2.408 10.799 173 HA PHE 22 HA PHE 22 4.286 5.006 11.371 174 1HB PHE 22 2HB PHE 22 4.744 2.983 9.177 175 2HB PHE 22 3HB PHE 22 5.557 4.548 9.198 176 HD1 PHE 22 HD1 PHE 22 5.578 1.190 10.459 177 HD2 PHE 22 HD2 PHE 22 6.835 5.201 11.343 178 HE1 PHE 22 HE1 PHE 22 7.228 0.313 12.089 179 HE2 PHE 22 HE2 PHE 22 8.487 4.326 12.972 180 HZ PHE 22 HZ PHE 22 8.685 1.881 13.345 181 H LEU 23 H LEU 23 2.319 3.629 8.759 182 HA LEU 23 HA LEU 23 2.112 5.917 7.158 183 1HB LEU 23 2HB LEU 23 0.723 3.344 7.420 184 2HB LEU 23 3HB LEU 23 -0.311 4.643 6.825 185 HG LEU 23 HG LEU 23 1.355 5.177 5.083 186 1HD1 LEU 23 1HD1 LEU 23 2.886 3.042 6.536 187 2HD1 LEU 23 2HD1 LEU 23 3.127 3.237 4.800 188 3HD1 LEU 23 3HD1 LEU 23 3.456 4.582 5.892 189 1HD2 LEU 23 1HD2 LEU 23 0.704 2.213 5.106 190 2HD2 LEU 23 2HD2 LEU 23 -0.459 3.474 4.693 191 3HD2 LEU 23 3HD2 LEU 23 0.969 3.229 3.688 192 H LEU 24 H LEU 24 0.231 4.871 9.959 193 HA LEU 24 HA LEU 24 -1.878 6.684 9.851 194 1HB LEU 24 2HB LEU 24 -1.239 4.734 11.546 195 2HB LEU 24 3HB LEU 24 -0.638 6.086 12.502 196 HG LEU 24 HG LEU 24 -3.431 5.942 11.328 197 1HD1 LEU 24 1HD1 LEU 24 -4.202 5.388 13.556 198 2HD1 LEU 24 2HD1 LEU 24 -2.967 4.215 13.100 199 3HD1 LEU 24 3HD1 LEU 24 -2.569 5.530 14.205 200 1HD2 LEU 24 1HD2 LEU 24 -1.950 7.888 13.094 201 2HD2 LEU 24 2HD2 LEU 24 -2.937 8.218 11.669 202 3HD2 LEU 24 3HD2 LEU 24 -3.706 7.757 13.186 203 H ARG 25 H ARG 25 1.134 7.066 11.719 204 HA ARG 25 HA ARG 25 0.716 9.683 12.566 205 1HB ARG 25 2HB ARG 25 3.181 8.022 12.149 206 2HB ARG 25 3HB ARG 25 3.314 9.707 12.654 207 1HG ARG 25 2HG ARG 25 1.348 8.009 14.124 208 2HG ARG 25 3HG ARG 25 3.057 7.691 14.422 209 1HD ARG 25 2HD ARG 25 2.344 9.330 16.034 210 2HD ARG 25 3HD ARG 25 3.356 10.160 14.858 211 HE ARG 25 HE ARG 25 1.297 11.045 13.860 212 1HH1 ARG 25 1HH2 ARG 25 -0.802 9.286 14.916 213 2HH1 ARG 25 2HH2 ARG 25 -1.456 10.182 16.246 214 1HH2 ARG 25 1HH1 ARG 25 1.259 12.322 16.485 215 2HH2 ARG 25 2HH1 ARG 25 -0.285 11.891 17.141 216 H ASP 26 H ASP 26 2.083 8.553 9.480 217 HA ASP 26 HA ASP 26 2.630 11.356 8.754 218 1HB ASP 26 2HB ASP 26 3.450 8.733 7.506 219 2HB ASP 26 3HB ASP 26 3.754 10.298 6.753 220 H GLY 27 H GLY 27 1.160 8.505 7.142 221 1HA GLY 27 1HA GLY 27 -0.370 10.345 5.431 222 2HA GLY 27 2HA GLY 27 -0.143 8.623 5.155 223 H GLY 28 H GLY 28 -1.240 7.138 6.684 224 1HA GLY 28 1HA GLY 28 -3.269 7.914 8.462 225 2HA GLY 28 2HA GLY 28 -3.997 7.700 6.872 226 H ASP 29 H ASP 29 -5.158 5.855 7.243 227 HA ASP 29 HA ASP 29 -3.639 3.462 8.094 228 1HB ASP 29 2HB ASP 29 -6.540 4.218 8.444 229 2HB ASP 29 3HB ASP 29 -5.962 2.566 8.655 230 H CYS 30 H CYS 30 -3.339 1.941 6.620 231 HA CYS 30 HA CYS 30 -4.624 2.149 4.024 232 1HB CYS 30 2HB CYS 30 -2.308 1.645 3.935 233 2HB CYS 30 3HB CYS 30 -2.455 0.381 5.156 234 HG CYS 30 HG CYS 30 -3.907 0.004 2.421 235 H THR 31 H THR 31 -5.681 0.316 2.998 236 HA THR 31 HA THR 31 -6.749 -1.754 4.779 237 HB THR 31 HB THR 31 -8.599 -0.020 3.127 238 HG1 THR 31 HG1 THR 31 -7.485 0.948 5.045 239 1HG2 THR 31 1HG2 THR 31 -10.348 -1.165 4.350 240 2HG2 THR 31 2HG2 THR 31 -9.284 -2.380 3.644 241 3HG2 THR 31 3HG2 THR 31 -9.161 -1.988 5.359 242 H LEU 32 H LEU 32 -6.338 -3.585 3.742 243 HA LEU 32 HA LEU 32 -5.943 -3.732 0.902 244 1HB LEU 32 2HB LEU 32 -4.963 -5.204 2.881 245 2HB LEU 32 3HB LEU 32 -6.398 -6.178 2.565 246 HG LEU 32 HG LEU 32 -5.653 -5.978 0.053 247 1HD1 LEU 32 1HD1 LEU 32 -2.965 -5.693 1.412 248 2HD1 LEU 32 2HD1 LEU 32 -3.316 -5.658 -0.315 249 3HD1 LEU 32 3HD1 LEU 32 -3.820 -4.318 0.715 250 1HD2 LEU 32 1HD2 LEU 32 -5.712 -8.092 1.269 251 2HD2 LEU 32 2HD2 LEU 32 -4.204 -7.997 0.361 252 3HD2 LEU 32 3HD2 LEU 32 -4.207 -7.694 2.098 253 H VAL 33 H VAL 33 -7.442 -4.015 -0.617 254 HA VAL 33 HA VAL 33 -10.176 -4.717 0.202 255 HB VAL 33 HB VAL 33 -9.036 -3.409 -2.269 256 1HG1 VAL 33 1HG1 VAL 33 -10.755 -4.725 -3.188 257 2HG1 VAL 33 2HG1 VAL 33 -11.762 -4.583 -1.747 258 3HG1 VAL 33 3HG1 VAL 33 -11.570 -3.203 -2.829 259 1HG2 VAL 33 1HG2 VAL 33 -10.220 -1.483 -1.521 260 2HG2 VAL 33 2HG2 VAL 33 -11.171 -2.421 -0.367 261 3HG2 VAL 33 3HG2 VAL 33 -9.455 -2.138 -0.072 262 H ASP 34 H ASP 34 -7.738 -5.591 -2.258 263 HA ASP 34 HA ASP 34 -8.505 -8.357 -2.154 264 1HB ASP 34 2HB ASP 34 -10.227 -7.032 -3.673 265 2HB ASP 34 3HB ASP 34 -8.935 -7.170 -4.864 266 H VAL 35 H VAL 35 -6.982 -9.687 -3.053 267 HA VAL 35 HA VAL 35 -4.595 -8.348 -4.166 268 HB VAL 35 HB VAL 35 -4.279 -9.603 -2.033 269 1HG1 VAL 35 1HG1 VAL 35 -4.661 -12.155 -3.579 270 2HG1 VAL 35 2HG1 VAL 35 -4.681 -11.896 -1.835 271 3HG1 VAL 35 3HG1 VAL 35 -6.050 -11.379 -2.818 272 1HG2 VAL 35 1HG2 VAL 35 -2.212 -10.433 -2.679 273 2HG2 VAL 35 2HG2 VAL 35 -2.850 -11.182 -4.141 274 3HG2 VAL 35 3HG2 VAL 35 -2.595 -9.439 -4.083 275 H GLU 36 H GLU 36 -4.230 -8.622 -6.269 276 HA GLU 36 HA GLU 36 -5.052 -11.129 -7.563 277 1HB GLU 36 2HB GLU 36 -6.765 -9.167 -7.808 278 2HB GLU 36 3HB GLU 36 -5.587 -8.519 -8.946 279 1HG GLU 36 2HG GLU 36 -7.054 -9.828 -10.273 280 2HG GLU 36 3HG GLU 36 -5.620 -10.830 -10.057 281 H ASP 37 H ASP 37 -2.858 -11.668 -7.649 282 HA ASP 37 HA ASP 37 -0.751 -11.770 -8.524 283 1HB ASP 37 2HB ASP 37 -2.316 -11.839 -10.606 284 2HB ASP 37 3HB ASP 37 -1.711 -10.213 -10.907 285 H GLY 38 H GLY 38 -1.614 -8.674 -10.031 286 1HA GLY 38 1HA GLY 38 0.400 -7.341 -8.323 287 2HA GLY 38 2HA GLY 38 0.392 -7.112 -10.067 288 H ILE 39 H ILE 39 -2.698 -7.304 -9.792 289 HA ILE 39 HA ILE 39 -3.092 -4.440 -9.526 290 HB ILE 39 HB ILE 39 -5.166 -6.566 -10.119 291 1HG1 ILE 39 2HG1 ILE 39 -4.678 -5.633 -12.545 292 2HG1 ILE 39 3HG1 ILE 39 -3.100 -5.241 -11.863 293 1HG2 ILE 39 1HG2 ILE 39 -5.132 -3.701 -11.058 294 2HG2 ILE 39 2HG2 ILE 39 -6.505 -4.794 -10.903 295 3HG2 ILE 39 3HG2 ILE 39 -5.757 -4.110 -9.460 296 1HD1 ILE 39 1HD1 ILE 39 -2.479 -7.436 -11.702 297 2HD1 ILE 39 2HD1 ILE 39 -4.103 -7.969 -11.264 298 3HD1 ILE 39 3HD1 ILE 39 -3.702 -7.659 -12.953 299 H VAL 40 H VAL 40 -2.356 -4.971 -7.143 300 HA VAL 40 HA VAL 40 -4.389 -6.007 -5.402 301 HB VAL 40 HB VAL 40 -1.685 -4.803 -5.077 302 1HG1 VAL 40 1HG1 VAL 40 -2.162 -4.832 -2.529 303 2HG1 VAL 40 2HG1 VAL 40 -2.722 -3.433 -3.444 304 3HG1 VAL 40 3HG1 VAL 40 -3.860 -4.697 -2.982 305 1HG2 VAL 40 1HG2 VAL 40 -2.561 -7.324 -5.128 306 2HG2 VAL 40 2HG2 VAL 40 -1.226 -6.843 -4.081 307 3HG2 VAL 40 3HG2 VAL 40 -2.852 -7.005 -3.419 308 H LYS 41 H LYS 41 -6.202 -5.003 -4.933 309 HA LYS 41 HA LYS 41 -6.420 -2.099 -5.178 310 1HB LYS 41 2HB LYS 41 -8.591 -4.040 -4.360 311 2HB LYS 41 3HB LYS 41 -8.784 -2.406 -4.995 312 1HG LYS 41 2HG LYS 41 -7.815 -3.115 -7.148 313 2HG LYS 41 3HG LYS 41 -7.599 -4.748 -6.518 314 1HD LYS 41 2HD LYS 41 -9.909 -5.170 -6.460 315 2HD LYS 41 3HD LYS 41 -10.320 -3.455 -6.482 316 1HE LYS 41 2HE LYS 41 -9.749 -3.237 -8.781 317 2HE LYS 41 3HE LYS 41 -8.910 -4.788 -8.797 318 1HZ LYS 41 1HZ LYS 41 -11.289 -4.622 -9.741 319 1HZ LYS 41 1HZ LYS 41 -11.766 -4.671 -8.111 320 3HZ LYS 41 3HZ LYS 41 -10.872 -5.954 -8.776 321 H LEU 42 H LEU 42 -6.742 -0.733 -3.475 322 HA LEU 42 HA LEU 42 -7.235 -1.715 -0.809 323 1HB LEU 42 2HB LEU 42 -5.146 -0.969 0.187 324 2HB LEU 42 3HB LEU 42 -4.794 -2.145 -1.076 325 HG LEU 42 HG LEU 42 -4.727 0.853 -1.526 326 1HD1 LEU 42 1HD1 LEU 42 -2.407 -1.037 -1.028 327 2HD1 LEU 42 2HD1 LEU 42 -2.297 0.694 -1.349 328 3HD1 LEU 42 3HD1 LEU 42 -3.028 0.120 0.151 329 1HD2 LEU 42 1HD2 LEU 42 -3.139 -0.146 -3.415 330 2HD2 LEU 42 2HD2 LEU 42 -4.108 -1.594 -3.147 331 3HD2 LEU 42 3HD2 LEU 42 -4.884 -0.093 -3.644 332 H GLN 43 H GLN 43 -6.754 0.306 0.761 333 HA GLN 43 HA GLN 43 -7.576 2.793 -0.574 334 1HB GLN 43 2HB GLN 43 -8.994 2.100 1.957 335 2HB GLN 43 3HB GLN 43 -9.550 3.051 0.581 336 1HG GLN 43 2HG GLN 43 -9.621 0.892 -0.750 337 2HG GLN 43 3HG GLN 43 -9.335 0.035 0.763 338 1HE2 GLN 43 2HE2 GLN 43 -11.047 2.431 2.005 339 2HE2 GLN 43 1HE2 GLN 43 -12.633 1.886 1.747 340 H LEU 44 H LEU 44 -7.598 4.634 1.082 341 HA LEU 44 HA LEU 44 -5.761 4.248 3.322 342 1HB LEU 44 2HB LEU 44 -4.277 4.654 1.391 343 2HB LEU 44 3HB LEU 44 -5.129 6.162 1.060 344 HG LEU 44 HG LEU 44 -4.194 5.870 3.851 345 1HD1 LEU 44 1HD1 LEU 44 -1.836 6.534 3.137 346 2HD1 LEU 44 2HD1 LEU 44 -2.268 4.845 2.865 347 3HD1 LEU 44 3HD1 LEU 44 -2.268 5.984 1.519 348 1HD2 LEU 44 1HD2 LEU 44 -3.551 8.214 3.474 349 2HD2 LEU 44 2HD2 LEU 44 -3.864 8.036 1.747 350 3HD2 LEU 44 3HD2 LEU 44 -5.194 7.940 2.900 351 H HIS 45 H HIS 45 -6.102 5.667 4.952 352 HA HIS 45 HA HIS 45 -7.426 8.201 4.567 353 1HB HIS 45 2HB HIS 45 -9.445 7.698 5.797 354 2HB HIS 45 3HB HIS 45 -9.312 6.557 4.460 355 HD1 HIS 45 HD1 HIS 45 -9.559 6.738 8.117 356 HD2 HIS 45 HD2 HIS 45 -8.309 3.910 5.320 357 HE1 HIS 45 HE1 HIS 45 -9.430 4.525 9.344 358 H GLY 46 H GLY 46 -6.781 9.568 6.123 359 1HA GLY 46 1HA GLY 46 -5.476 8.437 8.524 360 2HA GLY 46 2HA GLY 46 -5.127 10.017 7.828 361 H ALA 47 H ALA 47 -8.038 10.492 7.387 362 HA ALA 47 HA ALA 47 -9.596 10.403 9.670 363 1HB ALA 47 1HB ALA 47 -8.156 11.638 11.026 364 2HB ALA 47 2HB ALA 47 -7.603 12.649 9.691 365 3HB ALA 47 3HB ALA 47 -9.207 12.898 10.382 366 H CYS 48 H CYS 48 -8.715 13.407 8.031 367 HA CYS 48 HA CYS 48 -10.655 13.263 5.967 368 1HB CYS 48 2HB CYS 48 -12.169 15.073 6.919 369 2HB CYS 48 3HB CYS 48 -12.340 13.477 7.649 370 HG CYS 48 HG CYS 48 -10.588 14.479 9.538 371 H GLY 49 H GLY 49 -9.145 15.543 8.250 372 1HA GLY 49 1HA GLY 49 -8.111 17.582 7.912 373 2HA GLY 49 2HA GLY 49 -7.262 16.690 6.656 374 H THR 50 H THR 50 -7.148 18.070 4.995 375 HA THR 50 HA THR 50 -9.569 18.772 3.581 376 HB THR 50 HB THR 50 -9.726 20.725 4.814 377 HG1 THR 50 HG1 THR 50 -8.654 20.941 2.436 378 1HG2 THR 50 1HG2 THR 50 -7.497 22.017 5.359 379 2HG2 THR 50 2HG2 THR 50 -7.990 20.649 6.357 380 3HG2 THR 50 3HG2 THR 50 -6.756 20.436 5.114 381 H CYS 51 H CYS 51 -6.058 19.202 3.897 382 HA CYS 51 HA CYS 51 -5.702 18.414 1.120 383 1HB CYS 51 2HB CYS 51 -5.247 21.204 2.093 384 2HB CYS 51 3HB CYS 51 -4.117 20.529 0.919 385 HG CYS 51 HG CYS 51 -6.716 21.622 0.147 386 HA PRO 52 HA PRO 52 -2.381 17.051 4.046 387 1HB PRO 52 2HB PRO 52 -2.618 14.407 2.930 388 2HB PRO 52 3HB PRO 52 -3.007 14.944 4.567 389 1HG PRO 52 2HG PRO 52 -4.824 14.122 2.643 390 2HG PRO 52 3HG PRO 52 -5.205 15.020 4.118 391 1HD PRO 52 2HD PRO 52 -5.051 15.992 1.317 392 2HD PRO 52 3HD PRO 52 -5.970 16.642 2.693 393 H SER 53 H SER 53 -0.387 17.523 3.345 394 HA SER 53 HA SER 53 0.322 17.157 0.544 395 1HB SER 53 2HB SER 53 1.017 19.240 1.483 396 2HB SER 53 3HB SER 53 1.709 18.452 2.897 397 HG SER 53 HG SER 53 2.959 17.310 1.024 398 H SER 54 H SER 54 0.945 15.720 3.665 399 HA SER 54 HA SER 54 3.269 14.236 2.946 400 1HB SER 54 2HB SER 54 2.701 14.627 5.287 401 2HB SER 54 3HB SER 54 1.196 13.731 5.098 402 HG SER 54 HG SER 54 3.093 12.567 5.972 403 H THR 55 H THR 55 -0.207 13.497 2.932 404 HA THR 55 HA THR 55 0.064 10.772 2.179 405 HB THR 55 HB THR 55 -2.314 12.435 1.398 406 HG1 THR 55 HG1 THR 55 -2.465 11.452 3.901 407 1HG2 THR 55 1HG2 THR 55 -3.499 10.381 2.097 408 2HG2 THR 55 2HG2 THR 55 -2.287 10.030 0.865 409 3HG2 THR 55 3HG2 THR 55 -1.961 9.653 2.557 410 H ILE 56 H ILE 56 -0.537 13.719 0.265 411 HA ILE 56 HA ILE 56 -0.733 12.498 -2.257 412 HB ILE 56 HB ILE 56 0.261 15.256 -1.494 413 1HG1 ILE 56 2HG1 ILE 56 -2.417 14.429 -2.641 414 2HG1 ILE 56 3HG1 ILE 56 -2.125 14.522 -0.905 415 1HG2 ILE 56 1HG2 ILE 56 -0.503 15.710 -3.939 416 2HG2 ILE 56 2HG2 ILE 56 1.068 14.946 -3.691 417 3HG2 ILE 56 3HG2 ILE 56 -0.324 13.970 -4.160 418 1HD1 ILE 56 1HD1 ILE 56 -3.016 16.647 -1.474 419 2HD1 ILE 56 2HD1 ILE 56 -1.279 16.914 -1.344 420 3HD1 ILE 56 3HD1 ILE 56 -2.031 16.760 -2.931 421 H THR 57 H THR 57 2.097 13.906 -0.611 422 HA THR 57 HA THR 57 3.966 13.336 -2.655 423 HB THR 57 HB THR 57 4.504 13.599 0.309 424 HG1 THR 57 HG1 THR 57 3.278 15.298 -1.050 425 1HG2 THR 57 1HG2 THR 57 6.487 12.867 -0.771 426 2HG2 THR 57 2HG2 THR 57 6.181 13.871 -2.188 427 3HG2 THR 57 3HG2 THR 57 6.657 14.618 -0.663 428 H LEU 58 H LEU 58 3.087 11.538 0.301 429 HA LEU 58 HA LEU 58 4.970 9.479 0.065 430 1HB LEU 58 2HB LEU 58 3.463 9.915 2.042 431 2HB LEU 58 3HB LEU 58 2.162 9.147 1.133 432 HG LEU 58 HG LEU 58 3.704 7.134 0.853 433 1HD1 LEU 58 1HD1 LEU 58 5.406 7.113 2.874 434 2HD1 LEU 58 2HD1 LEU 58 5.863 7.849 1.340 435 3HD1 LEU 58 3HD1 LEU 58 5.339 8.864 2.683 436 1HD2 LEU 58 1HD2 LEU 58 3.073 6.209 2.966 437 2HD2 LEU 58 2HD2 LEU 58 3.085 7.791 3.743 438 3HD2 LEU 58 3HD2 LEU 58 1.827 7.393 2.572 439 H LYS 59 H LYS 59 1.544 9.440 -0.975 440 HA LYS 59 HA LYS 59 1.454 6.990 -2.226 441 1HB LYS 59 2HB LYS 59 -0.580 8.174 -2.117 442 2HB LYS 59 3HB LYS 59 0.111 9.614 -2.857 443 1HG LYS 59 2HG LYS 59 -1.376 8.347 -4.416 444 2HG LYS 59 3HG LYS 59 0.276 8.484 -5.013 445 1HD LYS 59 2HD LYS 59 -0.638 6.185 -5.292 446 2HD LYS 59 3HD LYS 59 0.775 6.211 -4.242 447 1HE LYS 59 2HE LYS 59 -0.538 5.961 -2.283 448 2HE LYS 59 3HE LYS 59 -2.027 6.380 -3.131 449 1HZ LYS 59 1HZ LYS 59 -2.252 4.162 -3.219 450 1HZ LYS 59 1HZ LYS 59 -0.594 3.859 -3.030 451 3HZ LYS 59 3HZ LYS 59 -1.214 4.285 -4.554 452 H ALA 60 H ALA 60 2.318 10.085 -3.758 453 HA ALA 60 HA ALA 60 3.016 9.055 -6.269 454 1HB ALA 60 1HB ALA 60 2.659 11.441 -5.869 455 2HB ALA 60 2HB ALA 60 4.091 11.497 -4.841 456 3HB ALA 60 3HB ALA 60 4.256 11.168 -6.566 457 H GLY 61 H GLY 61 4.694 8.907 -3.240 458 1HA GLY 61 1HA GLY 61 7.342 8.573 -4.323 459 2HA GLY 61 2HA GLY 61 6.834 8.220 -2.673 460 H ILE 62 H ILE 62 4.823 6.425 -3.106 461 HA ILE 62 HA ILE 62 6.231 3.995 -3.486 462 HB ILE 62 HB ILE 62 3.268 3.955 -3.718 463 1HG1 ILE 62 2HG1 ILE 62 3.481 5.847 -2.203 464 2HG1 ILE 62 3HG1 ILE 62 3.050 4.442 -1.254 465 1HG2 ILE 62 1HG2 ILE 62 4.702 1.933 -3.399 466 2HG2 ILE 62 2HG2 ILE 62 5.222 2.582 -1.844 467 3HG2 ILE 62 3HG2 ILE 62 3.531 2.147 -2.098 468 1HD1 ILE 62 1HD1 ILE 62 4.824 4.979 0.047 469 2HD1 ILE 62 2HD1 ILE 62 5.808 4.310 -1.254 470 3HD1 ILE 62 3HD1 ILE 62 5.504 6.045 -1.180 471 H GLU 63 H GLU 63 3.513 5.370 -5.363 472 HA GLU 63 HA GLU 63 3.469 3.680 -7.514 473 1HB GLU 63 2HB GLU 63 2.999 6.639 -7.278 474 2HB GLU 63 3HB GLU 63 2.892 5.848 -8.851 475 1HG GLU 63 2HG GLU 63 1.295 4.188 -7.811 476 2HG GLU 63 3HG GLU 63 1.290 5.193 -6.363 477 H ARG 64 H ARG 64 5.594 6.504 -7.106 478 HA ARG 64 HA ARG 64 6.941 6.411 -9.543 479 1HB ARG 64 2HB ARG 64 7.755 7.315 -6.788 480 2HB ARG 64 3HB ARG 64 8.890 7.388 -8.136 481 1HG ARG 64 2HG ARG 64 6.157 8.494 -8.591 482 2HG ARG 64 3HG ARG 64 7.244 9.423 -7.561 483 1HD ARG 64 2HD ARG 64 8.943 9.439 -9.324 484 2HD ARG 64 3HD ARG 64 7.913 8.446 -10.352 485 HE ARG 64 HE ARG 64 6.767 10.978 -9.454 486 1HH1 ARG 64 1HH2 ARG 64 7.085 8.877 -12.028 487 2HH1 ARG 64 2HH2 ARG 64 7.258 10.089 -13.252 488 1HH2 ARG 64 1HH1 ARG 64 7.562 12.702 -10.994 489 2HH2 ARG 64 2HH1 ARG 64 7.523 12.254 -12.667 490 H ALA 65 H ALA 65 7.727 4.769 -6.485 491 HA ALA 65 HA ALA 65 10.082 3.490 -7.327 492 1HB ALA 65 1HB ALA 65 8.100 2.331 -5.361 493 2HB ALA 65 2HB ALA 65 9.847 2.102 -5.403 494 3HB ALA 65 3HB ALA 65 9.174 3.669 -4.956 495 H LEU 66 H LEU 66 6.761 2.196 -7.162 496 HA LEU 66 HA LEU 66 7.221 -0.309 -8.338 497 1HB LEU 66 2HB LEU 66 4.833 1.510 -8.162 498 2HB LEU 66 3HB LEU 66 4.745 0.019 -9.095 499 HG LEU 66 HG LEU 66 5.247 -1.320 -7.163 500 1HD1 LEU 66 1HD1 LEU 66 6.952 -0.012 -6.070 501 2HD1 LEU 66 2HD1 LEU 66 5.833 1.326 -5.808 502 3HD1 LEU 66 3HD1 LEU 66 5.624 -0.182 -4.923 503 1HD2 LEU 66 1HD2 LEU 66 3.425 -0.575 -5.580 504 2HD2 LEU 66 2HD2 LEU 66 3.293 0.907 -6.526 505 3HD2 LEU 66 3HD2 LEU 66 2.928 -0.648 -7.270 506 H HIS 67 H HIS 67 5.796 2.522 -9.997 507 HA HIS 67 HA HIS 67 5.829 1.616 -12.559 508 1HB HIS 67 2HB HIS 67 6.558 4.382 -11.565 509 2HB HIS 67 3HB HIS 67 6.237 3.998 -13.257 510 HD1 HIS 67 HD1 HIS 67 4.051 5.338 -13.399 511 HD2 HIS 67 HD2 HIS 67 3.997 2.441 -10.399 512 HE1 HIS 67 HE1 HIS 67 1.652 5.172 -12.605 513 H GLU 68 H GLU 68 8.600 3.201 -10.944 514 HA GLU 68 HA GLU 68 10.399 2.826 -13.132 515 1HB GLU 68 2HB GLU 68 10.873 3.455 -10.214 516 2HB GLU 68 3HB GLU 68 12.145 3.433 -11.437 517 1HG GLU 68 2HG GLU 68 11.202 5.253 -12.622 518 2HG GLU 68 3HG GLU 68 9.644 5.083 -11.815 519 H GLU 69 H GLU 69 9.216 0.692 -10.768 520 HA GLU 69 HA GLU 69 10.958 -1.452 -11.656 521 1HB GLU 69 2HB GLU 69 10.944 -0.490 -8.777 522 2HB GLU 69 3HB GLU 69 11.522 -2.081 -9.267 523 1HG GLU 69 2HG GLU 69 13.027 -0.765 -10.936 524 2HG GLU 69 3HG GLU 69 12.679 0.624 -9.909 525 H VAL 70 H VAL 70 9.160 -2.564 -12.356 526 HA VAL 70 HA VAL 70 7.228 -3.408 -10.296 527 HB VAL 70 HB VAL 70 5.578 -3.365 -12.272 528 1HG1 VAL 70 1HG1 VAL 70 5.885 -0.577 -11.801 529 2HG1 VAL 70 2HG1 VAL 70 4.694 -1.684 -11.129 530 3HG1 VAL 70 3HG1 VAL 70 6.238 -1.459 -10.314 531 1HG2 VAL 70 1HG2 VAL 70 7.588 -2.801 -13.840 532 2HG2 VAL 70 2HG2 VAL 70 6.031 -2.024 -14.127 533 3HG2 VAL 70 3HG2 VAL 70 7.314 -1.148 -13.290 534 HA PRO 71 HA PRO 71 8.747 -7.004 -12.839 535 1HB PRO 71 2HB PRO 71 9.953 -8.171 -10.482 536 2HB PRO 71 3HB PRO 71 10.760 -7.581 -11.945 537 1HG PRO 71 2HG PRO 71 10.971 -6.410 -9.475 538 2HG PRO 71 3HG PRO 71 11.257 -5.582 -11.009 539 1HD PRO 71 2HD PRO 71 8.826 -5.517 -9.251 540 2HD PRO 71 3HD PRO 71 9.584 -4.204 -10.181 541 H GLY 72 H GLY 72 6.298 -6.355 -11.307 542 1HA GLY 72 1HA GLY 72 5.097 -8.928 -11.255 543 2HA GLY 72 2HA GLY 72 5.401 -8.366 -9.613 544 H VAL 73 H VAL 73 4.935 -5.697 -9.760 545 HA VAL 73 HA VAL 73 2.077 -5.564 -9.784 546 HB VAL 73 HB VAL 73 2.962 -4.106 -8.213 547 1HG1 VAL 73 1HG1 VAL 73 5.116 -3.724 -10.245 548 2HG1 VAL 73 2HG1 VAL 73 4.843 -2.432 -9.078 549 3HG1 VAL 73 3HG1 VAL 73 5.250 -4.053 -8.520 550 1HG2 VAL 73 1HG2 VAL 73 2.818 -2.231 -10.592 551 2HG2 VAL 73 2HG2 VAL 73 1.384 -2.923 -9.836 552 3HG2 VAL 73 3HG2 VAL 73 2.447 -1.867 -8.908 553 H ILE 74 H ILE 74 0.702 -4.493 -11.122 554 HA ILE 74 HA ILE 74 1.795 -3.713 -13.757 555 HB ILE 74 HB ILE 74 -1.010 -4.614 -13.667 556 1HG1 ILE 74 2HG1 ILE 74 1.269 -6.568 -13.196 557 2HG1 ILE 74 3HG1 ILE 74 -0.076 -6.251 -12.100 558 1HG2 ILE 74 1HG2 ILE 74 0.529 -4.017 -15.666 559 2HG2 ILE 74 2HG2 ILE 74 1.241 -5.610 -15.405 560 3HG2 ILE 74 3HG2 ILE 74 -0.473 -5.463 -15.799 561 1HD1 ILE 74 1HD1 ILE 74 -0.786 -8.186 -13.225 562 2HD1 ILE 74 2HD1 ILE 74 -1.572 -6.902 -14.143 563 3HD1 ILE 74 3HD1 ILE 74 -0.104 -7.657 -14.763 564 H GLU 75 H GLU 75 -0.954 -3.362 -11.537 565 HA GLU 75 HA GLU 75 -0.929 -0.505 -11.718 566 1HB GLU 75 2HB GLU 75 -2.166 -1.566 -13.856 567 2HB GLU 75 3HB GLU 75 -3.512 -1.596 -12.719 568 1HG GLU 75 2HG GLU 75 -2.914 0.849 -12.202 569 2HG GLU 75 3HG GLU 75 -1.909 0.788 -13.650 570 H VAL 76 H VAL 76 -1.186 -0.171 -9.584 571 HA VAL 76 HA VAL 76 -2.926 -1.876 -7.998 572 HB VAL 76 HB VAL 76 -2.236 -0.107 -6.190 573 1HG1 VAL 76 1HG1 VAL 76 -0.170 -1.344 -5.794 574 2HG1 VAL 76 2HG1 VAL 76 -1.419 -2.455 -6.356 575 3HG1 VAL 76 3HG1 VAL 76 -0.157 -1.912 -7.463 576 1HG2 VAL 76 1HG2 VAL 76 -0.310 1.196 -6.665 577 2HG2 VAL 76 2HG2 VAL 76 0.014 0.324 -8.163 578 3HG2 VAL 76 3HG2 VAL 76 -1.353 1.436 -8.066 579 H GLU 77 H GLU 77 -4.365 -0.616 -6.340 580 HA GLU 77 HA GLU 77 -5.711 1.677 -7.590 581 1HB GLU 77 2HB GLU 77 -6.860 -1.056 -7.297 582 2HB GLU 77 3HB GLU 77 -7.913 0.304 -6.910 583 1HG GLU 77 2HG GLU 77 -6.345 0.059 -9.493 584 2HG GLU 77 3HG GLU 77 -8.034 -0.409 -9.318 585 H GLN 78 H GLN 78 -4.905 2.855 -5.822 586 HA GLN 78 HA GLN 78 -5.904 2.109 -3.160 587 1HB GLN 78 2HB GLN 78 -3.470 2.830 -3.618 588 2HB GLN 78 3HB GLN 78 -4.122 4.461 -3.767 589 1HG GLN 78 2HG GLN 78 -5.338 3.635 -1.466 590 2HG GLN 78 3HG GLN 78 -3.810 2.763 -1.362 591 1HE2 GLN 78 2HE2 GLN 78 -5.140 6.073 -1.822 592 2HE2 GLN 78 1HE2 GLN 78 -3.784 6.865 -1.176 593 H VAL 79 H VAL 79 -8.058 2.649 -3.259 594 HA VAL 79 HA VAL 79 -8.847 5.288 -4.209 595 HB VAL 79 HB VAL 79 -11.150 4.491 -3.565 596 1HG1 VAL 79 1HG1 VAL 79 -10.388 4.225 -5.843 597 2HG1 VAL 79 2HG1 VAL 79 -9.452 2.795 -5.413 598 3HG1 VAL 79 3HG1 VAL 79 -11.215 2.740 -5.372 599 1HG2 VAL 79 1HG2 VAL 79 -10.284 2.894 -1.796 600 2HG2 VAL 79 2HG2 VAL 79 -11.457 2.187 -2.907 601 3HG2 VAL 79 3HG2 VAL 79 -9.740 1.845 -3.106 602 H PHE 80 H PHE 80 -10.398 6.541 -2.839 603 HA PHE 80 HA PHE 80 -9.402 6.685 -0.057 604 1HB PHE 80 2HB PHE 80 -10.766 8.986 -1.412 605 2HB PHE 80 3HB PHE 80 -9.541 9.002 -0.145 606 HD1 PHE 80 HD1 PHE 80 -10.123 9.464 -3.602 607 HD2 PHE 80 HD2 PHE 80 -7.191 7.963 -0.843 608 HE1 PHE 80 HE1 PHE 80 -8.360 9.738 -5.325 609 HE2 PHE 80 HE2 PHE 80 -5.429 8.238 -2.568 610 HZ PHE 80 HZ PHE 80 -6.014 9.126 -4.808 611 H LEU 81 H LEU 81 -10.850 6.091 1.436 612 HA LEU 81 HA LEU 81 -13.537 5.456 0.799 613 1HB LEU 81 2HB LEU 81 -12.125 4.515 2.710 614 2HB LEU 81 3HB LEU 81 -12.512 5.996 3.585 615 HG LEU 81 HG LEU 81 -14.995 5.335 2.767 616 1HD1 LEU 81 1HD1 LEU 81 -15.333 2.938 2.844 617 2HD1 LEU 81 2HD1 LEU 81 -14.099 3.276 1.630 618 3HD1 LEU 81 3HD1 LEU 81 -13.631 2.664 3.217 619 1HD2 LEU 81 1HD2 LEU 81 -13.437 4.388 5.179 620 2HD2 LEU 81 2HD2 LEU 81 -14.560 5.744 5.067 621 3HD2 LEU 81 3HD2 LEU 81 -15.167 4.089 5.014 622 H GLU 82 H GLU 82 -14.290 7.375 -0.213 623 HA GLU 82 HA GLU 82 -14.426 9.912 0.980 624 1HB GLU 82 2HB GLU 82 -16.221 10.359 -0.649 625 2HB GLU 82 3HB GLU 82 -14.849 9.546 -1.402 626 1HG GLU 82 2HG GLU 82 -16.036 7.368 -1.153 627 2HG GLU 82 3HG GLU 82 -17.420 8.225 -0.479 628 H HIS 83 H HIS 83 -16.773 10.906 1.292 629 HA HIS 83 HA HIS 83 -18.788 9.366 2.528 630 1HB HIS 83 2HB HIS 83 -18.356 10.286 4.903 631 2HB HIS 83 3HB HIS 83 -17.399 8.906 4.372 632 HD1 HIS 83 HD1 HIS 83 -15.622 9.795 6.197 633 HD2 HIS 83 HD2 HIS 83 -16.148 12.235 2.857 634 HE1 HIS 83 HE1 HIS 83 -13.654 11.389 6.156 635 H HIS 84 H HIS 84 -17.583 12.127 1.237 636 HA HIS 84 HA HIS 84 -19.155 14.122 2.565 637 1HB HIS 84 2HB HIS 84 -18.502 15.569 0.695 638 2HB HIS 84 3HB HIS 84 -17.109 14.684 1.313 639 HD1 HIS 84 HD1 HIS 84 -15.920 13.108 -0.276 640 HD2 HIS 84 HD2 HIS 84 -19.535 14.490 -1.823 641 HE1 HIS 84 HE1 HIS 84 -15.999 12.356 -2.693 642 H HIS 85 H HIS 85 -20.493 15.533 0.718 643 HA HIS 85 HA HIS 85 -22.586 13.657 -0.207 644 1HB HIS 85 2HB HIS 85 -22.717 16.410 0.983 645 2HB HIS 85 3HB HIS 85 -24.017 15.835 -0.060 646 HD1 HIS 85 HD1 HIS 85 -22.544 13.024 1.685 647 HD2 HIS 85 HD2 HIS 85 -25.422 15.894 2.612 648 HE1 HIS 85 HE1 HIS 85 -23.852 12.117 3.654 649 H HIS 86 H HIS 86 -22.365 17.071 -0.996 650 HA HIS 86 HA HIS 86 -22.063 16.329 -3.844 651 1HB HIS 86 2HB HIS 86 -23.299 18.845 -2.700 652 2HB HIS 86 3HB HIS 86 -23.306 18.332 -4.387 653 HD1 HIS 86 HD1 HIS 86 -24.596 15.968 -4.842 654 HD2 HIS 86 HD2 HIS 86 -25.432 17.861 -1.222 655 HE1 HIS 86 HE1 HIS 86 -26.744 14.943 -3.977 656 H HIS 87 H HIS 87 -19.697 16.306 -2.950 657 HA HIS 87 HA HIS 87 -18.422 18.862 -2.598 658 1HB HIS 87 2HB HIS 87 -17.618 16.628 -1.671 659 2HB HIS 87 3HB HIS 87 -17.080 16.247 -3.306 660 HD1 HIS 87 HD1 HIS 87 -16.404 18.595 -0.435 661 HD2 HIS 87 HD2 HIS 87 -14.773 17.655 -4.155 662 HE1 HIS 87 HE1 HIS 87 -14.160 19.765 -0.552 663 H HIS 88 H HIS 88 -16.543 19.476 -4.045 664 HA HIS 88 HA HIS 88 -17.506 19.652 -6.779 665 1HB HIS 88 2HB HIS 88 -15.033 20.805 -5.460 666 2HB HIS 88 3HB HIS 88 -15.609 21.201 -7.082 667 HD1 HIS 88 HD1 HIS 88 -15.621 22.714 -3.971 668 HD2 HIS 88 HD2 HIS 88 -18.713 21.838 -6.626 669 HE1 HIS 88 HE1 HIS 88 -17.542 24.251 -3.367 Start of MODEL 10 1 1H MET 1 1HT MET 1 16.195 -19.858 1.681 2 2H MET 1 2HT MET 1 14.903 -18.945 1.067 3 3H MET 1 3HT MET 1 15.570 -20.207 0.145 4 HA MET 1 HA MET 1 14.734 -21.857 1.597 5 1HB MET 1 2HB MET 1 13.954 -19.495 3.338 6 2HB MET 1 3HB MET 1 13.433 -21.154 3.630 7 1HG MET 1 2HG MET 1 16.336 -20.296 3.461 8 2HG MET 1 3HG MET 1 15.449 -20.502 4.970 9 1HE MET 1 1HE MET 1 17.858 -23.544 4.851 10 2HE MET 1 2HE MET 1 17.194 -22.269 5.870 11 3HE MET 1 3HE MET 1 18.083 -21.845 4.411 12 HA PRO 2 HA PRO 2 11.433 -19.788 -1.218 13 1HB PRO 2 2HB PRO 2 11.439 -22.302 -2.621 14 2HB PRO 2 3HB PRO 2 11.951 -20.715 -3.217 15 1HG PRO 2 2HG PRO 2 13.566 -22.947 -2.242 16 2HG PRO 2 3HG PRO 2 14.033 -21.567 -3.247 17 1HD PRO 2 2HD PRO 2 14.821 -21.852 -0.643 18 2HD PRO 2 3HD PRO 2 14.615 -20.268 -1.428 19 H THR 3 H THR 3 9.245 -20.281 -1.142 20 HA THR 3 HA THR 3 8.219 -22.782 -0.183 21 HB THR 3 HB THR 3 7.576 -20.537 1.679 22 HG1 THR 3 HG1 THR 3 9.580 -22.057 2.631 23 1HG2 THR 3 1HG2 THR 3 8.087 -23.419 2.362 24 2HG2 THR 3 2HG2 THR 3 6.999 -22.269 3.139 25 3HG2 THR 3 3HG2 THR 3 6.579 -22.953 1.571 26 H GLU 4 H GLU 4 6.226 -23.035 -0.954 27 HA GLU 4 HA GLU 4 4.867 -20.753 -2.194 28 1HB GLU 4 2HB GLU 4 3.384 -22.554 -3.133 29 2HB GLU 4 3HB GLU 4 5.087 -22.729 -3.567 30 1HG GLU 4 2HG GLU 4 5.420 -24.402 -1.847 31 2HG GLU 4 3HG GLU 4 3.791 -24.147 -1.222 32 H ASN 5 H ASN 5 4.995 -21.187 0.762 33 HA ASN 5 HA ASN 5 2.150 -21.651 1.366 34 1HB ASN 5 2HB ASN 5 4.549 -22.357 2.711 35 2HB ASN 5 3HB ASN 5 3.718 -21.177 3.722 36 1HD2 ASN 5 2HD2 ASN 5 2.432 -23.742 1.540 37 2HD2 ASN 5 1HD2 ASN 5 1.500 -24.501 2.740 38 HA PRO 6 HA PRO 6 2.911 -17.268 3.058 39 1HB PRO 6 2HB PRO 6 5.508 -16.274 2.276 40 2HB PRO 6 3HB PRO 6 4.928 -16.642 3.907 41 1HG PRO 6 2HG PRO 6 6.904 -18.026 2.597 42 2HG PRO 6 3HG PRO 6 5.940 -18.664 3.937 43 1HD PRO 6 2HD PRO 6 5.624 -19.150 0.993 44 2HD PRO 6 3HD PRO 6 5.402 -20.278 2.352 45 H THR 7 H THR 7 1.479 -17.317 1.062 46 HA THR 7 HA THR 7 2.520 -16.321 -1.417 47 HB THR 7 HB THR 7 0.258 -16.342 -2.208 48 HG1 THR 7 HG1 THR 7 -1.400 -16.836 -0.553 49 1HG2 THR 7 1HG2 THR 7 0.648 -18.598 -0.221 50 2HG2 THR 7 2HG2 THR 7 -0.440 -18.620 -1.609 51 3HG2 THR 7 3HG2 THR 7 1.305 -18.547 -1.857 52 H MET 8 H MET 8 0.958 -14.396 -2.352 53 HA MET 8 HA MET 8 2.030 -12.022 -1.454 54 1HB MET 8 2HB MET 8 -0.687 -12.394 -2.743 55 2HB MET 8 3HB MET 8 0.238 -10.893 -2.694 56 1HG MET 8 2HG MET 8 1.276 -13.455 -3.943 57 2HG MET 8 3HG MET 8 0.462 -12.186 -4.856 58 1HE MET 8 1HE MET 8 2.780 -13.154 -5.799 59 2HE MET 8 2HE MET 8 4.089 -13.293 -4.626 60 3HE MET 8 3HE MET 8 4.147 -12.033 -5.855 61 H PHE 9 H PHE 9 -1.308 -13.103 -0.796 62 HA PHE 9 HA PHE 9 -2.160 -11.154 0.914 63 1HB PHE 9 2HB PHE 9 -3.264 -13.427 0.103 64 2HB PHE 9 3HB PHE 9 -2.746 -13.978 1.697 65 HD1 PHE 9 HD1 PHE 9 -3.962 -13.383 3.635 66 HD2 PHE 9 HD2 PHE 9 -4.643 -11.268 -0.042 67 HE1 PHE 9 HE1 PHE 9 -5.887 -12.207 4.666 68 HE2 PHE 9 HE2 PHE 9 -6.568 -10.094 0.989 69 HZ PHE 9 HZ PHE 9 -7.189 -10.561 3.343 70 H ASP 10 H ASP 10 0.008 -13.813 1.673 71 HA ASP 10 HA ASP 10 0.050 -13.491 4.488 72 1HB ASP 10 2HB ASP 10 2.323 -14.523 2.782 73 2HB ASP 10 3HB ASP 10 1.980 -14.910 4.465 74 H GLN 11 H GLN 11 2.504 -12.560 2.092 75 HA GLN 11 HA GLN 11 4.129 -11.040 3.781 76 1HB GLN 11 2HB GLN 11 4.213 -11.814 1.162 77 2HB GLN 11 3HB GLN 11 3.931 -10.081 1.004 78 1HG GLN 11 2HG GLN 11 5.853 -9.610 2.455 79 2HG GLN 11 3HG GLN 11 6.135 -11.338 2.664 80 1HE2 GLN 11 2HE2 GLN 11 5.236 -9.644 -0.370 81 2HE2 GLN 11 1HE2 GLN 11 6.650 -10.067 -1.203 82 H VAL 12 H VAL 12 1.683 -9.800 1.475 83 HA VAL 12 HA VAL 12 1.933 -7.126 2.097 84 HB VAL 12 HB VAL 12 -0.327 -6.847 1.242 85 1HG1 VAL 12 1HG1 VAL 12 1.089 -9.112 -0.161 86 2HG1 VAL 12 2HG1 VAL 12 -0.029 -7.959 -0.889 87 3HG1 VAL 12 3HG1 VAL 12 1.540 -7.412 -0.297 88 1HG2 VAL 12 1HG2 VAL 12 -0.500 -9.789 1.852 89 2HG2 VAL 12 2HG2 VAL 12 -1.663 -8.515 2.223 90 3HG2 VAL 12 3HG2 VAL 12 -1.489 -9.096 0.569 91 H ALA 13 H ALA 13 -0.595 -9.267 3.445 92 HA ALA 13 HA ALA 13 -1.530 -7.556 5.348 93 1HB ALA 13 1HB ALA 13 -2.001 -9.679 6.721 94 2HB ALA 13 2HB ALA 13 -2.684 -9.611 5.097 95 3HB ALA 13 3HB ALA 13 -1.230 -10.558 5.403 96 H GLU 14 H GLU 14 1.335 -9.599 5.425 97 HA GLU 14 HA GLU 14 2.060 -9.151 8.126 98 1HB GLU 14 2HB GLU 14 2.985 -10.937 6.555 99 2HB GLU 14 3HB GLU 14 4.007 -9.675 5.875 100 1HG GLU 14 2HG GLU 14 3.916 -10.297 8.838 101 2HG GLU 14 3HG GLU 14 5.068 -11.048 7.734 102 H VAL 15 H VAL 15 3.586 -7.746 5.188 103 HA VAL 15 HA VAL 15 5.021 -5.795 6.632 104 HB VAL 15 HB VAL 15 5.587 -4.810 4.534 105 1HG1 VAL 15 1HG1 VAL 15 6.446 -7.118 5.027 106 2HG1 VAL 15 2HG1 VAL 15 5.139 -7.763 4.037 107 3HG1 VAL 15 3HG1 VAL 15 6.375 -6.743 3.306 108 1HG2 VAL 15 1HG2 VAL 15 3.717 -4.431 3.246 109 2HG2 VAL 15 2HG2 VAL 15 4.268 -5.914 2.472 110 3HG2 VAL 15 3HG2 VAL 15 2.980 -5.974 3.671 111 H ILE 16 H ILE 16 1.886 -5.543 4.936 112 HA ILE 16 HA ILE 16 1.463 -2.809 5.287 113 HB ILE 16 HB ILE 16 -0.599 -5.032 5.403 114 1HG1 ILE 16 2HG1 ILE 16 0.553 -5.145 3.288 115 2HG1 ILE 16 3HG1 ILE 16 -0.961 -4.303 2.987 116 1HG2 ILE 16 1HG2 ILE 16 -0.760 -2.042 5.322 117 2HG2 ILE 16 2HG2 ILE 16 -1.972 -2.973 4.440 118 3HG2 ILE 16 3HG2 ILE 16 -1.781 -3.195 6.179 119 1HD1 ILE 16 1HD1 ILE 16 1.828 -3.197 3.127 120 2HD1 ILE 16 2HD1 ILE 16 0.598 -2.952 1.887 121 3HD1 ILE 16 3HD1 ILE 16 0.447 -2.150 3.450 122 H GLU 17 H GLU 17 0.173 -5.407 7.361 123 HA GLU 17 HA GLU 17 -0.738 -3.820 9.453 124 1HB GLU 17 2HB GLU 17 -1.330 -6.151 9.340 125 2HB GLU 17 3HB GLU 17 0.361 -6.641 9.478 126 1HG GLU 17 2HG GLU 17 0.465 -6.153 11.739 127 2HG GLU 17 3HG GLU 17 -0.779 -4.910 11.639 128 H ARG 18 H ARG 18 2.502 -4.915 8.700 129 HA ARG 18 HA ARG 18 3.706 -4.341 11.207 130 1HB ARG 18 2HB ARG 18 4.675 -5.763 9.339 131 2HB ARG 18 3HB ARG 18 5.081 -4.257 8.520 132 1HG ARG 18 2HG ARG 18 6.413 -3.549 10.472 133 2HG ARG 18 3HG ARG 18 6.004 -5.056 11.295 134 1HD ARG 18 2HD ARG 18 7.128 -6.355 9.577 135 2HD ARG 18 3HD ARG 18 7.431 -4.904 8.627 136 HE ARG 18 HE ARG 18 8.647 -4.316 10.970 137 1HH1 ARG 18 1HH2 ARG 18 8.828 -7.342 11.359 138 2HH1 ARG 18 2HH2 ARG 18 10.385 -7.680 10.690 139 1HH2 ARG 18 1HH1 ARG 18 10.624 -4.638 9.038 140 2HH2 ARG 18 2HH1 ARG 18 11.405 -6.146 9.369 141 H LEU 19 H LEU 19 3.567 -2.492 8.162 142 HA LEU 19 HA LEU 19 4.808 -0.161 9.328 143 1HB LEU 19 2HB LEU 19 3.675 -0.867 6.650 144 2HB LEU 19 3HB LEU 19 3.938 0.829 7.054 145 HG LEU 19 HG LEU 19 6.291 0.342 7.605 146 1HD1 LEU 19 1HD1 LEU 19 5.506 -2.469 6.795 147 2HD1 LEU 19 2HD1 LEU 19 7.178 -1.928 6.922 148 3HD1 LEU 19 3HD1 LEU 19 6.149 -1.945 8.350 149 1HD2 LEU 19 1HD2 LEU 19 5.861 1.032 5.336 150 2HD2 LEU 19 2HD2 LEU 19 7.013 -0.302 5.259 151 3HD2 LEU 19 3HD2 LEU 19 5.312 -0.585 4.890 152 H ARG 20 H ARG 20 1.594 -1.350 9.006 153 HA ARG 20 HA ARG 20 -0.073 0.735 8.776 154 1HB ARG 20 2HB ARG 20 -1.118 -1.296 9.189 155 2HB ARG 20 3HB ARG 20 -0.164 -1.617 10.634 156 1HG ARG 20 2HG ARG 20 -1.407 -0.083 11.940 157 2HG ARG 20 3HG ARG 20 -2.091 0.707 10.520 158 1HD ARG 20 2HD ARG 20 -2.713 -2.105 11.476 159 2HD ARG 20 3HD ARG 20 -3.782 -0.712 11.578 160 HE ARG 20 HE ARG 20 -2.886 -1.400 8.892 161 1HH1 ARG 20 1HH1 ARG 20 -4.672 -3.471 10.567 162 2HH1 ARG 20 2HH1 ARG 20 -6.203 -3.158 9.821 163 1HH2 ARG 20 1HH2 ARG 20 -5.158 -0.243 8.263 164 2HH2 ARG 20 2HH2 ARG 20 -6.477 -1.339 8.517 165 HA PRO 21 HA PRO 21 0.579 2.368 13.209 166 1HB PRO 21 2HB PRO 21 3.084 1.428 14.297 167 2HB PRO 21 3HB PRO 21 1.443 1.116 14.886 168 1HG PRO 21 2HG PRO 21 3.097 -0.780 13.789 169 2HG PRO 21 3HG PRO 21 1.333 -0.896 13.862 170 1HD PRO 21 2HD PRO 21 3.077 -0.110 11.554 171 2HD PRO 21 3HD PRO 21 1.579 -1.072 11.557 172 H PHE 22 H PHE 22 3.429 1.910 11.202 173 HA PHE 22 HA PHE 22 4.732 4.347 12.035 174 1HB PHE 22 2HB PHE 22 5.203 2.320 9.869 175 2HB PHE 22 3HB PHE 22 6.060 3.863 9.839 176 HD1 PHE 22 HD1 PHE 22 5.509 0.748 11.755 177 HD2 PHE 22 HD2 PHE 22 7.731 4.413 11.494 178 HE1 PHE 22 HE1 PHE 22 7.087 -0.086 13.474 179 HE2 PHE 22 HE2 PHE 22 9.312 3.579 13.214 180 HZ PHE 22 HZ PHE 22 8.987 1.328 14.205 181 H LEU 23 H LEU 23 2.890 3.316 9.165 182 HA LEU 23 HA LEU 23 3.052 5.689 7.703 183 1HB LEU 23 2HB LEU 23 0.754 3.719 7.875 184 2HB LEU 23 3HB LEU 23 0.937 4.951 6.629 185 HG LEU 23 HG LEU 23 3.210 3.053 7.115 186 1HD1 LEU 23 1HD1 LEU 23 0.821 2.403 5.365 187 2HD1 LEU 23 2HD1 LEU 23 2.242 1.396 5.635 188 3HD1 LEU 23 3HD1 LEU 23 1.102 1.682 6.951 189 1HD2 LEU 23 1HD2 LEU 23 3.646 3.474 4.776 190 2HD2 LEU 23 2HD2 LEU 23 2.069 4.232 4.562 191 3HD2 LEU 23 3HD2 LEU 23 3.309 5.032 5.529 192 H LEU 24 H LEU 24 0.908 4.737 10.347 193 HA LEU 24 HA LEU 24 -0.920 6.855 10.243 194 1HB LEU 24 2HB LEU 24 -0.793 4.705 11.776 195 2HB LEU 24 3HB LEU 24 0.008 5.810 12.892 196 HG LEU 24 HG LEU 24 -2.742 6.173 11.663 197 1HD1 LEU 24 1HD1 LEU 24 -1.832 5.732 14.523 198 2HD1 LEU 24 2HD1 LEU 24 -3.496 6.017 14.011 199 3HD1 LEU 24 3HD1 LEU 24 -2.657 4.548 13.512 200 1HD2 LEU 24 1HD2 LEU 24 -0.975 8.001 13.283 201 2HD2 LEU 24 2HD2 LEU 24 -1.921 8.373 11.843 202 3HD2 LEU 24 3HD2 LEU 24 -2.732 8.130 13.389 203 H ARG 25 H ARG 25 2.013 6.579 12.249 204 HA ARG 25 HA ARG 25 1.969 9.102 13.394 205 1HB ARG 25 2HB ARG 25 4.359 7.423 12.603 206 2HB ARG 25 3HB ARG 25 4.428 8.822 13.667 207 1HG ARG 25 2HG ARG 25 3.157 7.755 15.353 208 2HG ARG 25 3HG ARG 25 2.561 6.521 14.243 209 1HD ARG 25 2HD ARG 25 4.735 5.491 14.100 210 2HD ARG 25 3HD ARG 25 5.484 6.820 14.980 211 HE ARG 25 HE ARG 25 4.025 4.599 16.120 212 1HH1 ARG 25 1HH2 ARG 25 6.455 6.448 17.050 213 2HH1 ARG 25 2HH2 ARG 25 5.797 7.026 18.544 214 1HH2 ARG 25 1HH1 ARG 25 2.572 5.958 17.845 215 2HH2 ARG 25 2HH1 ARG 25 3.603 6.749 18.994 216 H ASP 26 H ASP 26 3.168 8.164 10.181 217 HA ASP 26 HA ASP 26 4.075 10.931 9.734 218 1HB ASP 26 2HB ASP 26 4.521 8.359 8.225 219 2HB ASP 26 3HB ASP 26 5.061 9.932 7.639 220 H GLY 27 H GLY 27 2.319 8.478 7.783 221 1HA GLY 27 1HA GLY 27 0.951 10.679 6.373 222 2HA GLY 27 2HA GLY 27 1.109 9.026 5.793 223 H GLY 28 H GLY 28 -0.078 7.346 7.004 224 1HA GLY 28 1HA GLY 28 -2.193 7.981 8.803 225 2HA GLY 28 2HA GLY 28 -2.806 7.837 7.158 226 H ASP 29 H ASP 29 -3.893 5.910 7.247 227 HA ASP 29 HA ASP 29 -2.255 3.530 7.877 228 1HB ASP 29 2HB ASP 29 -5.019 4.236 8.835 229 2HB ASP 29 3HB ASP 29 -4.528 2.551 8.684 230 H CYS 30 H CYS 30 -2.138 2.172 6.212 231 HA CYS 30 HA CYS 30 -4.047 2.469 4.004 232 1HB CYS 30 2HB CYS 30 -2.435 1.047 2.757 233 2HB CYS 30 3HB CYS 30 -1.696 2.513 3.399 234 HG CYS 30 HG CYS 30 -1.342 -0.296 4.738 235 H THR 31 H THR 31 -4.937 0.544 2.970 236 HA THR 31 HA THR 31 -5.058 -1.884 4.586 237 HB THR 31 HB THR 31 -7.655 -0.562 3.822 238 HG1 THR 31 HG1 THR 31 -5.930 0.038 5.881 239 1HG2 THR 31 1HG2 THR 31 -8.522 -2.058 5.582 240 2HG2 THR 31 2HG2 THR 31 -7.672 -2.969 4.336 241 3HG2 THR 31 3HG2 THR 31 -6.887 -2.649 5.883 242 H LEU 32 H LEU 32 -4.962 -3.577 3.280 243 HA LEU 32 HA LEU 32 -5.257 -3.315 0.424 244 1HB LEU 32 2HB LEU 32 -3.537 -4.802 1.262 245 2HB LEU 32 3HB LEU 32 -4.718 -5.706 2.206 246 HG LEU 32 HG LEU 32 -5.815 -6.508 0.193 247 1HD1 LEU 32 1HD1 LEU 32 -4.533 -5.902 -2.032 248 2HD1 LEU 32 2HD1 LEU 32 -5.746 -4.802 -1.385 249 3HD1 LEU 32 3HD1 LEU 32 -4.035 -4.476 -1.120 250 1HD2 LEU 32 1HD2 LEU 32 -4.013 -7.930 0.771 251 2HD2 LEU 32 2HD2 LEU 32 -3.776 -7.623 -0.949 252 3HD2 LEU 32 3HD2 LEU 32 -2.802 -6.763 0.244 253 H VAL 33 H VAL 33 -7.104 -3.530 -0.657 254 HA VAL 33 HA VAL 33 -9.446 -4.646 0.704 255 HB VAL 33 HB VAL 33 -9.109 -3.043 -1.833 256 1HG1 VAL 33 1HG1 VAL 33 -10.931 -4.518 -2.300 257 2HG1 VAL 33 2HG1 VAL 33 -11.555 -4.381 -0.654 258 3HG1 VAL 33 3HG1 VAL 33 -11.667 -3.012 -1.759 259 1HG2 VAL 33 1HG2 VAL 33 -10.560 -1.458 -0.479 260 2HG2 VAL 33 2HG2 VAL 33 -10.292 -2.517 0.905 261 3HG2 VAL 33 3HG2 VAL 33 -8.928 -1.694 0.146 262 H ASP 34 H ASP 34 -7.363 -5.261 -2.093 263 HA ASP 34 HA ASP 34 -8.149 -8.010 -2.168 264 1HB ASP 34 2HB ASP 34 -10.063 -6.692 -3.334 265 2HB ASP 34 3HB ASP 34 -8.916 -6.499 -4.654 266 H VAL 35 H VAL 35 -6.674 -9.246 -3.208 267 HA VAL 35 HA VAL 35 -4.429 -7.836 -4.502 268 HB VAL 35 HB VAL 35 -3.883 -9.219 -2.515 269 1HG1 VAL 35 1HG1 VAL 35 -4.400 -11.715 -4.070 270 2HG1 VAL 35 2HG1 VAL 35 -4.396 -11.461 -2.327 271 3HG1 VAL 35 3HG1 VAL 35 -5.778 -10.937 -3.292 272 1HG2 VAL 35 1HG2 VAL 35 -2.236 -8.895 -4.346 273 2HG2 VAL 35 2HG2 VAL 35 -2.036 -10.457 -3.557 274 3HG2 VAL 35 3HG2 VAL 35 -2.835 -10.359 -5.128 275 H GLU 36 H GLU 36 -4.142 -8.048 -6.628 276 HA GLU 36 HA GLU 36 -5.029 -10.453 -8.021 277 1HB GLU 36 2HB GLU 36 -7.014 -8.976 -8.052 278 2HB GLU 36 3HB GLU 36 -6.046 -7.715 -8.815 279 1HG GLU 36 2HG GLU 36 -5.889 -8.855 -10.829 280 2HG GLU 36 3HG GLU 36 -6.065 -10.434 -10.071 281 H ASP 37 H ASP 37 -2.687 -10.591 -8.113 282 HA ASP 37 HA ASP 37 -0.678 -10.418 -9.196 283 1HB ASP 37 2HB ASP 37 -1.919 -11.157 -11.115 284 2HB ASP 37 3HB ASP 37 -2.567 -9.545 -11.393 285 H GLY 38 H GLY 38 -1.993 -7.757 -11.046 286 1HA GLY 38 1HA GLY 38 -0.106 -5.911 -9.698 287 2HA GLY 38 2HA GLY 38 -0.530 -5.826 -11.404 288 H ILE 39 H ILE 39 -3.391 -6.504 -10.600 289 HA ILE 39 HA ILE 39 -4.263 -3.758 -10.257 290 HB ILE 39 HB ILE 39 -5.942 -6.266 -10.543 291 1HG1 ILE 39 2HG1 ILE 39 -6.162 -5.365 -12.940 292 2HG1 ILE 39 3HG1 ILE 39 -4.756 -4.363 -12.579 293 1HG2 ILE 39 1HG2 ILE 39 -7.327 -4.524 -9.712 294 2HG2 ILE 39 2HG2 ILE 39 -6.500 -3.298 -10.671 295 3HG2 ILE 39 3HG2 ILE 39 -7.563 -4.464 -11.457 296 1HD1 ILE 39 1HD1 ILE 39 -4.516 -7.252 -11.905 297 2HD1 ILE 39 2HD1 ILE 39 -4.556 -6.852 -13.621 298 3HD1 ILE 39 3HD1 ILE 39 -3.318 -6.150 -12.583 299 H VAL 40 H VAL 40 -3.097 -3.975 -8.070 300 HA VAL 40 HA VAL 40 -4.664 -5.271 -5.991 301 HB VAL 40 HB VAL 40 -2.008 -3.949 -6.176 302 1HG1 VAL 40 1HG1 VAL 40 -3.702 -3.984 -3.663 303 2HG1 VAL 40 2HG1 VAL 40 -1.941 -3.887 -3.626 304 3HG1 VAL 40 3HG1 VAL 40 -2.879 -2.604 -4.389 305 1HG2 VAL 40 1HG2 VAL 40 -2.706 -6.490 -6.101 306 2HG2 VAL 40 2HG2 VAL 40 -1.290 -5.948 -5.204 307 3HG2 VAL 40 3HG2 VAL 40 -2.819 -6.210 -4.363 308 H LYS 41 H LYS 41 -6.364 -4.356 -5.084 309 HA LYS 41 HA LYS 41 -6.825 -1.486 -5.326 310 1HB LYS 41 2HB LYS 41 -8.480 -3.699 -4.086 311 2HB LYS 41 3HB LYS 41 -8.984 -2.012 -4.192 312 1HG LYS 41 2HG LYS 41 -8.438 -2.294 -6.747 313 2HG LYS 41 3HG LYS 41 -8.609 -4.016 -6.403 314 1HD LYS 41 2HD LYS 41 -10.861 -3.676 -5.549 315 2HD LYS 41 3HD LYS 41 -10.693 -1.927 -5.701 316 1HE LYS 41 2HE LYS 41 -11.963 -2.793 -7.600 317 2HE LYS 41 3HE LYS 41 -10.405 -2.194 -8.158 318 1HZ LYS 41 1HZ LYS 41 -11.316 -4.566 -8.821 319 1HZ LYS 41 1HZ LYS 41 -10.554 -4.998 -7.366 320 3HZ LYS 41 3HZ LYS 41 -9.660 -4.266 -8.615 321 H LEU 42 H LEU 42 -6.726 -0.040 -3.654 322 HA LEU 42 HA LEU 42 -6.053 -1.056 -0.965 323 1HB LEU 42 2HB LEU 42 -4.394 0.711 -2.723 324 2HB LEU 42 3HB LEU 42 -4.372 0.978 -0.981 325 HG LEU 42 HG LEU 42 -4.034 -1.814 -2.025 326 1HD1 LEU 42 1HD1 LEU 42 -1.868 0.308 -1.898 327 2HD1 LEU 42 2HD1 LEU 42 -1.574 -1.418 -2.111 328 3HD1 LEU 42 3HD1 LEU 42 -2.444 -0.513 -3.349 329 1HD2 LEU 42 1HD2 LEU 42 -4.252 -0.995 0.460 330 2HD2 LEU 42 2HD2 LEU 42 -3.015 -2.185 0.056 331 3HD2 LEU 42 3HD2 LEU 42 -2.578 -0.487 0.253 332 H GLN 43 H GLN 43 -6.026 0.762 0.641 333 HA GLN 43 HA GLN 43 -7.780 3.014 -0.026 334 1HB GLN 43 2HB GLN 43 -8.433 0.802 1.900 335 2HB GLN 43 3HB GLN 43 -9.019 2.440 2.204 336 1HG GLN 43 2HG GLN 43 -10.169 2.498 0.082 337 2HG GLN 43 3HG GLN 43 -9.438 0.972 -0.411 338 1HE2 GLN 43 2HE2 GLN 43 -10.316 0.995 2.931 339 2HE2 GLN 43 1HE2 GLN 43 -11.764 0.129 2.772 340 H LEU 44 H LEU 44 -6.609 4.711 0.605 341 HA LEU 44 HA LEU 44 -4.783 4.482 2.884 342 1HB LEU 44 2HB LEU 44 -4.076 5.575 0.740 343 2HB LEU 44 3HB LEU 44 -5.253 6.849 1.056 344 HG LEU 44 HG LEU 44 -4.039 6.982 3.395 345 1HD1 LEU 44 1HD1 LEU 44 -1.587 6.497 3.114 346 2HD1 LEU 44 2HD1 LEU 44 -2.596 5.050 3.118 347 3HD1 LEU 44 3HD1 LEU 44 -1.969 5.685 1.596 348 1HD2 LEU 44 1HD2 LEU 44 -2.815 8.005 0.814 349 2HD2 LEU 44 2HD2 LEU 44 -4.084 8.798 1.744 350 3HD2 LEU 44 3HD2 LEU 44 -2.462 8.643 2.421 351 H HIS 45 H HIS 45 -5.790 4.661 4.794 352 HA HIS 45 HA HIS 45 -8.083 6.366 5.191 353 1HB HIS 45 2HB HIS 45 -6.389 4.877 7.213 354 2HB HIS 45 3HB HIS 45 -7.952 5.630 7.525 355 HD1 HIS 45 HD1 HIS 45 -9.852 4.042 7.388 356 HD2 HIS 45 HD2 HIS 45 -6.731 2.879 4.885 357 HE1 HIS 45 HE1 HIS 45 -10.571 1.870 6.302 358 H GLY 46 H GLY 46 -7.255 8.432 4.633 359 1HA GLY 46 1HA GLY 46 -5.073 9.553 6.211 360 2HA GLY 46 2HA GLY 46 -5.959 10.363 4.923 361 H ALA 47 H ALA 47 -5.897 9.575 8.320 362 HA ALA 47 HA ALA 47 -8.439 10.581 9.052 363 1HB ALA 47 1HB ALA 47 -7.071 9.134 10.515 364 2HB ALA 47 2HB ALA 47 -5.910 10.448 10.715 365 3HB ALA 47 3HB ALA 47 -7.554 10.619 11.330 366 H CYS 48 H CYS 48 -6.024 12.207 7.596 367 HA CYS 48 HA CYS 48 -6.346 14.710 9.099 368 1HB CYS 48 2HB CYS 48 -4.063 14.146 8.499 369 2HB CYS 48 3HB CYS 48 -4.514 13.925 6.810 370 HG CYS 48 HG CYS 48 -3.684 16.330 6.825 371 H GLY 49 H GLY 49 -8.719 14.244 8.187 372 1HA GLY 49 1HA GLY 49 -9.321 14.856 5.491 373 2HA GLY 49 2HA GLY 49 -10.440 14.983 6.843 374 H THR 50 H THR 50 -8.765 16.690 4.510 375 HA THR 50 HA THR 50 -9.812 19.196 5.112 376 HB THR 50 HB THR 50 -8.502 19.472 7.044 377 HG1 THR 50 HG1 THR 50 -6.855 20.939 6.400 378 1HG2 THR 50 1HG2 THR 50 -7.037 17.685 7.175 379 2HG2 THR 50 2HG2 THR 50 -6.482 17.878 5.515 380 3HG2 THR 50 3HG2 THR 50 -5.907 18.977 6.768 381 H CYS 51 H CYS 51 -6.431 19.334 4.425 382 HA CYS 51 HA CYS 51 -6.780 19.054 1.534 383 1HB CYS 51 2HB CYS 51 -7.391 21.364 1.823 384 2HB CYS 51 3HB CYS 51 -6.021 21.652 2.891 385 HG CYS 51 HG CYS 51 -4.940 22.370 0.756 386 HA PRO 52 HA PRO 52 -2.616 17.869 3.287 387 1HB PRO 52 2HB PRO 52 -3.052 15.148 2.439 388 2HB PRO 52 3HB PRO 52 -2.902 15.770 4.089 389 1HG PRO 52 2HG PRO 52 -5.203 14.732 2.984 390 2HG PRO 52 3HG PRO 52 -5.133 15.788 4.402 391 1HD PRO 52 2HD PRO 52 -5.860 16.468 1.586 392 2HD PRO 52 3HD PRO 52 -6.468 17.153 3.109 393 H SER 53 H SER 53 -1.159 18.578 1.844 394 HA SER 53 HA SER 53 -1.416 17.979 -0.988 395 1HB SER 53 2HB SER 53 0.545 19.430 -1.240 396 2HB SER 53 3HB SER 53 -0.676 20.213 -0.238 397 HG SER 53 HG SER 53 0.882 18.735 1.327 398 H SER 54 H SER 54 0.124 16.668 1.758 399 HA SER 54 HA SER 54 2.326 15.407 0.391 400 1HB SER 54 2HB SER 54 1.195 14.711 3.102 401 2HB SER 54 3HB SER 54 2.816 14.380 2.498 402 HG SER 54 HG SER 54 1.867 16.580 3.705 403 H THR 55 H THR 55 -0.752 14.264 1.803 404 HA THR 55 HA THR 55 -0.657 11.583 1.351 405 HB THR 55 HB THR 55 -2.988 13.448 0.812 406 HG1 THR 55 HG1 THR 55 -3.544 12.849 2.904 407 1HG2 THR 55 1HG2 THR 55 -2.729 10.464 0.763 408 2HG2 THR 55 2HG2 THR 55 -4.204 11.170 1.421 409 3HG2 THR 55 3HG2 THR 55 -3.726 11.519 -0.239 410 H ILE 56 H ILE 56 -1.229 14.102 -1.053 411 HA ILE 56 HA ILE 56 -1.801 12.453 -3.273 412 HB ILE 56 HB ILE 56 -0.367 15.122 -3.314 413 1HG1 ILE 56 2HG1 ILE 56 -3.367 14.645 -3.379 414 2HG1 ILE 56 3HG1 ILE 56 -2.496 15.084 -1.911 415 1HG2 ILE 56 1HG2 ILE 56 -0.466 13.839 -5.450 416 2HG2 ILE 56 2HG2 ILE 56 -2.224 13.800 -5.321 417 3HG2 ILE 56 3HG2 ILE 56 -1.389 15.340 -5.523 418 1HD1 ILE 56 1HD1 ILE 56 -2.790 16.712 -4.442 419 2HD1 ILE 56 2HD1 ILE 56 -3.307 17.140 -2.812 420 3HD1 ILE 56 3HD1 ILE 56 -1.588 17.091 -3.210 421 H THR 57 H THR 57 1.248 13.978 -2.228 422 HA THR 57 HA THR 57 2.914 12.737 -4.148 423 HB THR 57 HB THR 57 3.612 13.769 -1.379 424 HG1 THR 57 HG1 THR 57 4.441 15.445 -3.082 425 1HG2 THR 57 1HG2 THR 57 5.899 13.995 -2.340 426 2HG2 THR 57 2HG2 THR 57 5.373 12.315 -2.262 427 3HG2 THR 57 3HG2 THR 57 5.345 13.178 -3.800 428 H LEU 58 H LEU 58 1.808 11.807 -0.942 429 HA LEU 58 HA LEU 58 3.500 9.642 -0.426 430 1HB LEU 58 2HB LEU 58 1.746 10.740 1.107 431 2HB LEU 58 3HB LEU 58 0.578 9.673 0.326 432 HG LEU 58 HG LEU 58 2.333 7.800 0.871 433 1HD1 LEU 58 1HD1 LEU 58 3.118 10.083 2.685 434 2HD1 LEU 58 2HD1 LEU 58 3.420 8.403 3.129 435 3HD1 LEU 58 3HD1 LEU 58 4.157 9.078 1.676 436 1HD2 LEU 58 1HD2 LEU 58 0.377 9.145 2.723 437 2HD2 LEU 58 2HD2 LEU 58 0.242 7.590 1.902 438 3HD2 LEU 58 3HD2 LEU 58 1.315 7.762 3.292 439 H LYS 59 H LYS 59 0.213 9.564 -1.833 440 HA LYS 59 HA LYS 59 0.039 6.886 -2.449 441 1HB LYS 59 2HB LYS 59 -1.757 8.606 -2.774 442 2HB LYS 59 3HB LYS 59 -0.927 9.124 -4.242 443 1HG LYS 59 2HG LYS 59 -1.045 6.688 -5.003 444 2HG LYS 59 3HG LYS 59 -2.162 6.424 -3.665 445 1HD LYS 59 2HD LYS 59 -2.539 8.445 -5.896 446 2HD LYS 59 3HD LYS 59 -3.376 6.900 -5.762 447 1HE LYS 59 2HE LYS 59 -4.950 8.272 -4.765 448 2HE LYS 59 3HE LYS 59 -3.995 7.844 -3.347 449 1HZ LYS 59 1HZ LYS 59 -4.408 10.382 -4.481 450 1HZ LYS 59 1HZ LYS 59 -2.751 10.014 -4.562 451 3HZ LYS 59 3HZ LYS 59 -3.560 9.978 -3.069 452 H ALA 60 H ALA 60 1.272 9.464 -4.593 453 HA ALA 60 HA ALA 60 2.153 7.769 -6.668 454 1HB ALA 60 1HB ALA 60 3.015 9.664 -7.626 455 2HB ALA 60 2HB ALA 60 1.978 10.439 -6.429 456 3HB ALA 60 3HB ALA 60 3.703 10.249 -6.111 457 H GLY 61 H GLY 61 3.424 8.439 -3.544 458 1HA GLY 61 1HA GLY 61 6.163 7.747 -4.032 459 2HA GLY 61 2HA GLY 61 5.375 7.862 -2.460 460 H ILE 62 H ILE 62 3.324 6.037 -2.762 461 HA ILE 62 HA ILE 62 4.582 3.590 -2.155 462 HB ILE 62 HB ILE 62 1.748 3.793 -3.164 463 1HG1 ILE 62 2HG1 ILE 62 2.849 4.638 -0.463 464 2HG1 ILE 62 3HG1 ILE 62 1.998 5.655 -1.622 465 1HG2 ILE 62 1HG2 ILE 62 3.024 2.151 -0.957 466 2HG2 ILE 62 2HG2 ILE 62 1.380 1.990 -1.570 467 3HG2 ILE 62 3HG2 ILE 62 2.746 1.567 -2.599 468 1HD1 ILE 62 1HD1 ILE 62 0.342 5.091 -0.040 469 2HD1 ILE 62 2HD1 ILE 62 0.049 3.981 -1.378 470 3HD1 ILE 62 3HD1 ILE 62 0.889 3.416 0.065 471 H GLU 63 H GLU 63 2.610 4.436 -5.012 472 HA GLU 63 HA GLU 63 2.958 2.194 -6.546 473 1HB GLU 63 2HB GLU 63 1.582 4.136 -7.225 474 2HB GLU 63 3HB GLU 63 3.053 5.049 -7.553 475 1HG GLU 63 2HG GLU 63 2.210 4.109 -9.641 476 2HG GLU 63 3HG GLU 63 3.726 3.323 -9.216 477 H ARG 64 H ARG 64 5.098 5.048 -6.500 478 HA ARG 64 HA ARG 64 7.066 4.128 -8.240 479 1HB ARG 64 2HB ARG 64 7.022 6.433 -7.366 480 2HB ARG 64 3HB ARG 64 7.432 5.834 -5.761 481 1HG ARG 64 2HG ARG 64 9.617 5.333 -6.347 482 2HG ARG 64 3HG ARG 64 9.215 5.064 -8.041 483 1HD ARG 64 2HD ARG 64 8.981 7.449 -8.422 484 2HD ARG 64 3HD ARG 64 9.175 7.786 -6.704 485 HE ARG 64 HE ARG 64 11.284 7.573 -8.516 486 1HH1 ARG 64 1HH2 ARG 64 10.620 7.384 -5.236 487 2HH1 ARG 64 2HH2 ARG 64 12.082 6.565 -4.792 488 1HH2 ARG 64 1HH1 ARG 64 13.063 5.979 -8.064 489 2HH2 ARG 64 2HH1 ARG 64 13.465 5.772 -6.392 490 H ALA 65 H ALA 65 6.633 3.594 -4.776 491 HA ALA 65 HA ALA 65 9.021 2.224 -4.249 492 1HB ALA 65 1HB ALA 65 6.886 2.974 -2.735 493 2HB ALA 65 2HB ALA 65 6.615 1.235 -2.847 494 3HB ALA 65 3HB ALA 65 8.132 1.849 -2.193 495 H LEU 66 H LEU 66 5.831 0.981 -5.264 496 HA LEU 66 HA LEU 66 6.504 -1.750 -5.292 497 1HB LEU 66 2HB LEU 66 4.606 -0.465 -7.254 498 2HB LEU 66 3HB LEU 66 4.550 -2.099 -6.596 499 HG LEU 66 HG LEU 66 3.997 0.499 -5.142 500 1HD1 LEU 66 1HD1 LEU 66 1.803 -0.430 -4.823 501 2HD1 LEU 66 2HD1 LEU 66 2.199 -0.608 -6.533 502 3HD1 LEU 66 3HD1 LEU 66 2.313 -1.996 -5.449 503 1HD2 LEU 66 1HD2 LEU 66 3.546 -1.092 -3.174 504 2HD2 LEU 66 2HD2 LEU 66 4.478 -2.292 -4.070 505 3HD2 LEU 66 3HD2 LEU 66 5.240 -0.789 -3.558 506 H HIS 67 H HIS 67 6.315 0.481 -8.072 507 HA HIS 67 HA HIS 67 7.413 -1.211 -9.981 508 1HB HIS 67 2HB HIS 67 7.258 1.757 -9.660 509 2HB HIS 67 3HB HIS 67 8.276 1.098 -10.943 510 HD1 HIS 67 HD1 HIS 67 7.066 0.718 -13.077 511 HD2 HIS 67 HD2 HIS 67 4.510 0.386 -9.804 512 HE1 HIS 67 HE1 HIS 67 4.757 0.263 -14.012 513 H GLU 68 H GLU 68 9.117 1.298 -8.111 514 HA GLU 68 HA GLU 68 11.721 0.505 -8.951 515 1HB GLU 68 2HB GLU 68 10.873 2.132 -6.544 516 2HB GLU 68 3HB GLU 68 12.506 2.042 -7.205 517 1HG GLU 68 2HG GLU 68 10.068 3.031 -8.717 518 2HG GLU 68 3HG GLU 68 11.298 4.066 -7.992 519 H GLU 69 H GLU 69 9.573 -0.883 -6.736 520 HA GLU 69 HA GLU 69 11.599 -2.738 -5.786 521 1HB GLU 69 2HB GLU 69 11.089 -0.581 -4.162 522 2HB GLU 69 3HB GLU 69 9.895 -1.742 -3.590 523 1HG GLU 69 2HG GLU 69 11.776 -2.226 -2.270 524 2HG GLU 69 3HG GLU 69 11.857 -3.437 -3.545 525 H VAL 70 H VAL 70 10.564 -4.367 -6.736 526 HA VAL 70 HA VAL 70 9.163 -6.214 -6.716 527 HB VAL 70 HB VAL 70 7.175 -4.564 -5.174 528 1HG1 VAL 70 1HG1 VAL 70 6.493 -6.711 -6.360 529 2HG1 VAL 70 2HG1 VAL 70 7.576 -7.557 -5.255 530 3HG1 VAL 70 3HG1 VAL 70 6.185 -6.676 -4.624 531 1HG2 VAL 70 1HG2 VAL 70 8.638 -4.620 -3.443 532 2HG2 VAL 70 2HG2 VAL 70 8.335 -6.357 -3.392 533 3HG2 VAL 70 3HG2 VAL 70 9.712 -5.727 -4.297 534 HA PRO 71 HA PRO 71 7.204 -3.777 -10.101 535 1HB PRO 71 2HB PRO 71 8.396 -5.613 -11.985 536 2HB PRO 71 3HB PRO 71 8.759 -3.900 -11.732 537 1HG PRO 71 2HG PRO 71 10.446 -6.004 -11.139 538 2HG PRO 71 3HG PRO 71 10.581 -4.358 -10.503 539 1HD PRO 71 2HD PRO 71 9.534 -6.808 -9.168 540 2HD PRO 71 3HD PRO 71 10.337 -5.389 -8.463 541 H GLY 72 H GLY 72 6.612 -5.456 -12.410 542 1HA GLY 72 1HA GLY 72 5.211 -7.214 -13.089 543 2HA GLY 72 2HA GLY 72 4.926 -7.620 -11.398 544 H VAL 73 H VAL 73 4.486 -4.660 -10.904 545 HA VAL 73 HA VAL 73 1.653 -4.664 -11.060 546 HB VAL 73 HB VAL 73 3.701 -2.553 -10.374 547 1HG1 VAL 73 1HG1 VAL 73 0.715 -2.274 -10.723 548 2HG1 VAL 73 2HG1 VAL 73 1.582 -1.279 -9.555 549 3HG1 VAL 73 3HG1 VAL 73 1.996 -1.189 -11.265 550 1HG2 VAL 73 1HG2 VAL 73 2.551 -2.786 -8.146 551 2HG2 VAL 73 2HG2 VAL 73 1.591 -4.096 -8.832 552 3HG2 VAL 73 3HG2 VAL 73 3.342 -4.263 -8.693 553 H ILE 74 H ILE 74 0.265 -3.651 -12.379 554 HA ILE 74 HA ILE 74 1.380 -2.481 -14.857 555 HB ILE 74 HB ILE 74 -1.330 -3.648 -14.961 556 1HG1 ILE 74 2HG1 ILE 74 1.131 -5.380 -14.543 557 2HG1 ILE 74 3HG1 ILE 74 -0.305 -5.326 -13.522 558 1HG2 ILE 74 1HG2 ILE 74 0.048 -2.712 -16.868 559 2HG2 ILE 74 2HG2 ILE 74 1.107 -4.112 -16.689 560 3HG2 ILE 74 3HG2 ILE 74 -0.586 -4.337 -17.128 561 1HD1 ILE 74 1HD1 ILE 74 0.018 -6.516 -16.260 562 2HD1 ILE 74 2HD1 ILE 74 -0.745 -7.205 -14.829 563 3HD1 ILE 74 3HD1 ILE 74 -1.569 -5.943 -15.745 564 H GLU 75 H GLU 75 -1.244 -2.470 -12.499 565 HA GLU 75 HA GLU 75 -1.604 0.374 -12.736 566 1HB GLU 75 2HB GLU 75 -2.937 -0.960 -14.667 567 2HB GLU 75 3HB GLU 75 -4.127 -1.069 -13.372 568 1HG GLU 75 2HG GLU 75 -3.924 1.417 -13.064 569 2HG GLU 75 3HG GLU 75 -2.872 1.460 -14.479 570 H VAL 76 H VAL 76 -1.643 0.765 -10.598 571 HA VAL 76 HA VAL 76 -2.918 -1.079 -8.750 572 HB VAL 76 HB VAL 76 -0.753 0.172 -8.287 573 1HG1 VAL 76 1HG1 VAL 76 -2.620 2.478 -7.677 574 2HG1 VAL 76 2HG1 VAL 76 -0.859 2.475 -7.635 575 3HG1 VAL 76 3HG1 VAL 76 -1.702 2.365 -9.179 576 1HG2 VAL 76 1HG2 VAL 76 -1.166 0.136 -5.996 577 2HG2 VAL 76 2HG2 VAL 76 -2.770 0.849 -6.166 578 3HG2 VAL 76 3HG2 VAL 76 -2.506 -0.845 -6.585 579 H GLU 77 H GLU 77 -4.241 0.081 -6.937 580 HA GLU 77 HA GLU 77 -6.038 2.137 -7.984 581 1HB GLU 77 2HB GLU 77 -6.790 -0.713 -7.470 582 2HB GLU 77 3HB GLU 77 -7.943 0.541 -7.015 583 1HG GLU 77 2HG GLU 77 -8.011 1.405 -9.262 584 2HG GLU 77 3HG GLU 77 -6.664 0.383 -9.755 585 H GLN 78 H GLN 78 -5.050 3.411 -6.337 586 HA GLN 78 HA GLN 78 -5.628 2.601 -3.562 587 1HB GLN 78 2HB GLN 78 -3.291 3.479 -4.505 588 2HB GLN 78 3HB GLN 78 -4.029 5.045 -4.187 589 1HG GLN 78 2HG GLN 78 -3.499 2.805 -2.230 590 2HG GLN 78 3HG GLN 78 -2.903 4.465 -2.170 591 1HE2 GLN 78 2HE2 GLN 78 -4.533 6.187 -1.651 592 2HE2 GLN 78 1HE2 GLN 78 -5.931 5.767 -0.785 593 H VAL 79 H VAL 79 -7.819 3.092 -3.485 594 HA VAL 79 HA VAL 79 -8.661 5.823 -4.114 595 HB VAL 79 HB VAL 79 -10.929 5.001 -3.802 596 1HG1 VAL 79 1HG1 VAL 79 -10.007 4.604 -5.989 597 2HG1 VAL 79 2HG1 VAL 79 -9.111 3.195 -5.419 598 3HG1 VAL 79 3HG1 VAL 79 -10.871 3.140 -5.523 599 1HG2 VAL 79 1HG2 VAL 79 -9.557 2.448 -2.901 600 2HG2 VAL 79 2HG2 VAL 79 -10.606 3.480 -1.929 601 3HG2 VAL 79 3HG2 VAL 79 -11.271 2.565 -3.282 602 H PHE 80 H PHE 80 -10.369 6.705 -2.493 603 HA PHE 80 HA PHE 80 -9.065 6.788 0.145 604 1HB PHE 80 2HB PHE 80 -11.282 8.605 -0.784 605 2HB PHE 80 3HB PHE 80 -10.054 8.904 0.447 606 HD1 PHE 80 HD1 PHE 80 -7.624 9.130 -0.265 607 HD2 PHE 80 HD2 PHE 80 -10.881 9.123 -3.066 608 HE1 PHE 80 HE1 PHE 80 -6.150 10.142 -1.985 609 HE2 PHE 80 HE2 PHE 80 -9.408 10.135 -4.783 610 HZ PHE 80 HZ PHE 80 -7.040 10.639 -4.245 611 H LEU 81 H LEU 81 -10.493 7.001 2.050 612 HA LEU 81 HA LEU 81 -12.365 4.818 2.125 613 1HB LEU 81 2HB LEU 81 -10.876 5.316 4.030 614 2HB LEU 81 3HB LEU 81 -11.671 6.876 4.237 615 HG LEU 81 HG LEU 81 -13.869 5.461 4.379 616 1HD1 LEU 81 1HD1 LEU 81 -12.965 3.314 3.726 617 2HD1 LEU 81 2HD1 LEU 81 -11.722 3.406 4.975 618 3HD1 LEU 81 3HD1 LEU 81 -13.415 3.218 5.427 619 1HD2 LEU 81 1HD2 LEU 81 -11.733 5.750 6.486 620 2HD2 LEU 81 2HD2 LEU 81 -13.247 6.640 6.315 621 3HD2 LEU 81 3HD2 LEU 81 -13.263 4.967 6.872 622 H GLU 82 H GLU 82 -12.798 8.127 3.313 623 HA GLU 82 HA GLU 82 -15.003 8.815 1.694 624 1HB GLU 82 2HB GLU 82 -15.642 7.037 3.877 625 2HB GLU 82 3HB GLU 82 -16.412 8.603 4.134 626 1HG GLU 82 2HG GLU 82 -17.491 8.522 1.998 627 2HG GLU 82 3HG GLU 82 -16.532 7.133 1.494 628 H HIS 83 H HIS 83 -15.668 10.917 2.047 629 HA HIS 83 HA HIS 83 -13.970 12.476 3.828 630 1HB HIS 83 2HB HIS 83 -16.136 13.653 2.112 631 2HB HIS 83 3HB HIS 83 -14.590 14.351 2.585 632 HD1 HIS 83 HD1 HIS 83 -13.276 11.354 1.767 633 HD2 HIS 83 HD2 HIS 83 -15.216 14.147 -0.645 634 HE1 HIS 83 HE1 HIS 83 -12.563 10.861 -0.610 635 H HIS 84 H HIS 84 -17.469 12.665 3.131 636 HA HIS 84 HA HIS 84 -18.116 12.547 5.963 637 1HB HIS 84 2HB HIS 84 -17.474 14.942 5.542 638 2HB HIS 84 3HB HIS 84 -18.789 15.038 4.373 639 HD1 HIS 84 HD1 HIS 84 -21.244 14.427 5.396 640 HD2 HIS 84 HD2 HIS 84 -18.277 15.395 8.160 641 HE1 HIS 84 HE1 HIS 84 -22.438 15.003 7.554 642 H HIS 85 H HIS 85 -19.463 10.835 5.575 643 HA HIS 85 HA HIS 85 -22.034 11.442 4.384 644 1HB HIS 85 2HB HIS 85 -20.536 10.690 2.470 645 2HB HIS 85 3HB HIS 85 -20.470 9.115 3.262 646 HD1 HIS 85 HD1 HIS 85 -22.368 7.545 2.794 647 HD2 HIS 85 HD2 HIS 85 -23.333 11.483 1.817 648 HE1 HIS 85 HE1 HIS 85 -24.634 7.467 1.659 649 H HIS 86 H HIS 86 -22.753 11.059 6.514 650 HA HIS 86 HA HIS 86 -22.329 8.411 7.674 651 1HB HIS 86 2HB HIS 86 -23.854 10.801 8.741 652 2HB HIS 86 3HB HIS 86 -23.475 9.329 9.634 653 HD1 HIS 86 HD1 HIS 86 -20.561 9.518 7.837 654 HD2 HIS 86 HD2 HIS 86 -22.064 11.995 10.843 655 HE1 HIS 86 HE1 HIS 86 -18.574 10.749 8.811 656 H HIS 87 H HIS 87 -25.058 10.455 6.627 657 HA HIS 87 HA HIS 87 -26.666 7.991 6.310 658 1HB HIS 87 2HB HIS 87 -28.647 9.202 6.983 659 2HB HIS 87 3HB HIS 87 -27.423 9.403 8.237 660 HD1 HIS 87 HD1 HIS 87 -29.398 11.282 5.710 661 HD2 HIS 87 HD2 HIS 87 -26.196 12.034 8.274 662 HE1 HIS 87 HE1 HIS 87 -29.102 13.799 5.772 663 H HIS 88 H HIS 88 -28.454 8.255 4.716 664 HA HIS 88 HA HIS 88 -27.414 9.321 2.260 665 1HB HIS 88 2HB HIS 88 -29.397 8.374 1.248 666 2HB HIS 88 3HB HIS 88 -28.757 7.223 2.418 667 HD1 HIS 88 HD1 HIS 88 -31.855 8.685 1.442 668 HD2 HIS 88 HD2 HIS 88 -30.153 7.721 5.124 669 HE1 HIS 88 HE1 HIS 88 -33.761 8.568 3.107
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