NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12020 | 1se7 | 6127 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -5.123 12.873 2.230 2 2H MET 1 2HT MET 1 -4.970 14.546 2.423 3 3H MET 1 3HT MET 1 -6.250 13.724 3.163 4 HA MET 1 HA MET 1 -4.555 14.284 4.772 5 1HB MET 1 2HB MET 1 -4.711 11.329 4.143 6 2HB MET 1 1HB MET 1 -4.200 12.013 5.680 7 1HG MET 1 2HG MET 1 -6.408 12.990 5.990 8 2HG MET 1 1HG MET 1 -6.924 12.331 4.438 9 1HE MET 1 1HE MET 1 -8.536 11.800 7.176 10 2HE MET 1 2HE MET 1 -8.921 10.097 6.933 11 3HE MET 1 3HE MET 1 -9.003 11.221 5.577 12 H TYR 2 H TYR 2 -3.377 13.535 1.796 13 HA TYR 2 HA TYR 2 -1.309 13.364 0.870 14 1HB TYR 2 2HB TYR 2 -0.536 14.653 3.491 15 2HB TYR 2 1HB TYR 2 0.558 14.463 2.125 16 HD1 TYR 2 1HD TYR 2 -2.250 16.336 3.489 17 HD2 TYR 2 2HD TYR 2 0.190 15.746 0.054 18 HE1 TYR 2 1HE TYR 2 -3.058 18.461 2.556 19 HE2 TYR 2 2HE TYR 2 -0.612 17.871 -0.888 20 HH TYR 2 HH TYR 2 -2.294 20.168 0.924 21 H ASP 3 H ASP 3 1.208 12.832 1.973 22 HA ASP 3 HA ASP 3 1.126 10.030 2.187 23 1HB ASP 3 2HB ASP 3 3.373 11.883 3.005 24 2HB ASP 3 1HB ASP 3 3.518 10.165 2.648 25 H TRP 4 H TRP 4 2.100 8.778 4.014 26 HA TRP 4 HA TRP 4 1.709 9.911 6.664 27 1HB TRP 4 2HB TRP 4 0.221 8.050 7.341 28 2HB TRP 4 1HB TRP 4 -0.512 9.059 6.094 29 HD1 TRP 4 HD TRP 4 -0.781 7.994 3.658 30 HE1 TRP 4 1HE TRP 4 -0.786 5.550 2.839 31 HE3 TRP 4 3HE TRP 4 1.239 5.766 7.778 32 HZ2 TRP 4 2HZ TRP 4 -0.034 3.013 3.822 33 HZ3 TRP 4 3HZ TRP 4 1.569 3.331 7.760 34 HH2 TRP 4 HH TRP 4 0.945 1.983 5.825 35 H ASN 5 H ASN 5 2.961 7.607 4.476 36 HA ASN 5 HA ASN 5 4.253 5.977 6.500 37 1HB ASN 5 2HB ASN 5 3.411 5.587 3.839 38 2HB ASN 5 1HB ASN 5 5.167 5.473 3.810 39 1HD2 ASN 5 1HD2 ASN 5 3.041 3.459 3.466 40 2HD2 ASN 5 2HD2 ASN 5 3.394 2.216 4.613 41 H ILE 6 H ILE 6 5.015 8.702 6.525 42 HA ILE 6 HA ILE 6 7.429 9.175 5.124 43 HB ILE 6 HB ILE 6 6.555 10.445 7.709 44 1HG1 ILE 6 2HG1 ILE 6 4.763 10.462 5.980 45 2HG1 ILE 6 1HG1 ILE 6 5.330 12.065 6.424 46 1HG2 ILE 6 1HG2 ILE 6 8.825 10.988 7.143 47 2HG2 ILE 6 2HG2 ILE 6 7.806 12.396 6.835 48 3HG2 ILE 6 3HG2 ILE 6 8.354 11.393 5.491 49 1HD1 ILE 6 1HD1 ILE 6 4.980 11.849 4.024 50 2HD1 ILE 6 2HD1 ILE 6 6.154 10.535 3.973 51 3HD1 ILE 6 3HD1 ILE 6 6.671 12.164 4.406 52 H ALA 7 H ALA 7 6.686 7.237 7.801 53 HA ALA 7 HA ALA 7 9.030 7.456 9.328 54 1HB ALA 7 1HB ALA 7 7.221 5.067 9.013 55 2HB ALA 7 2HB ALA 7 6.998 6.385 10.164 56 3HB ALA 7 3HB ALA 7 8.394 5.315 10.306 57 H ALA 8 H ALA 8 8.545 6.180 6.244 58 HA ALA 8 HA ALA 8 10.592 4.187 6.310 59 1HB ALA 8 1HB ALA 8 10.229 4.044 3.890 60 2HB ALA 8 2HB ALA 8 9.163 5.446 3.979 61 3HB ALA 8 3HB ALA 8 8.719 3.947 4.795 62 H LYS 9 H LYS 9 12.640 4.806 6.603 63 HA LYS 9 HA LYS 9 13.600 7.317 5.497 64 1HB LYS 9 2HB LYS 9 14.642 5.321 7.457 65 2HB LYS 9 1HB LYS 9 15.795 6.363 6.633 66 1HG LYS 9 2HG LYS 9 15.164 7.276 8.780 67 2HG LYS 9 1HG LYS 9 14.606 8.324 7.478 68 1HD LYS 9 2HD LYS 9 12.380 7.700 7.766 69 2HD LYS 9 1HD LYS 9 12.812 6.235 8.654 70 1HE LYS 9 2HE LYS 9 12.014 7.744 10.276 71 2HE LYS 9 1HE LYS 9 13.774 7.746 10.410 72 1HZ LYS 9 1HZ LYS 9 12.188 9.782 8.947 73 2HZ LYS 9 2HZ LYS 9 13.864 9.792 9.172 74 3HZ LYS 9 3HZ LYS 9 12.832 9.988 10.499 75 H SER 10 H SER 10 14.554 3.881 5.338 76 HA SER 10 HA SER 10 16.501 4.182 3.347 77 1HB SER 10 2HB SER 10 16.323 2.149 4.698 78 2HB SER 10 1HB SER 10 14.765 1.778 3.960 79 HG SER 10 HG SER 10 15.886 0.781 2.501 80 H GLN 11 H GLN 11 16.378 3.371 1.106 81 HA GLN 11 HA GLN 11 14.176 4.613 -0.258 82 1HB GLN 11 2HB GLN 11 16.478 4.775 -1.104 83 2HB GLN 11 1HB GLN 11 16.510 3.035 -1.352 84 1HG GLN 11 2HG GLN 11 14.690 3.249 -2.982 85 2HG GLN 11 1HG GLN 11 14.709 4.997 -2.752 86 1HE2 GLN 11 1HE2 GLN 11 16.364 2.258 -4.089 87 2HE2 GLN 11 2HE2 GLN 11 17.480 3.148 -5.062 88 H GLU 12 H GLU 12 15.451 1.293 -0.067 89 HA GLU 12 HA GLU 12 13.503 0.091 -1.681 90 1HB GLU 12 2HB GLU 12 15.288 -0.967 0.495 91 2HB GLU 12 1HB GLU 12 14.140 -2.009 -0.332 92 1HG GLU 12 2HG GLU 12 16.339 -2.205 -1.317 93 2HG GLU 12 1HG GLU 12 15.205 -1.499 -2.467 94 H GLU 13 H GLU 13 13.438 0.989 1.706 95 HA GLU 13 HA GLU 13 11.146 -0.587 2.357 96 1HB GLU 13 2HB GLU 13 12.288 1.816 3.795 97 2HB GLU 13 1HB GLU 13 11.106 0.688 4.446 98 1HG GLU 13 2HG GLU 13 13.893 -0.061 3.600 99 2HG GLU 13 1HG GLU 13 13.401 0.291 5.256 100 H ARG 14 H ARG 14 11.617 2.886 1.718 101 HA ARG 14 HA ARG 14 8.911 3.598 2.047 102 1HB ARG 14 2HB ARG 14 9.498 5.715 1.045 103 2HB ARG 14 1HB ARG 14 10.779 5.211 2.137 104 1HG ARG 14 2HG ARG 14 12.088 4.429 0.210 105 2HG ARG 14 1HG ARG 14 10.813 5.008 -0.865 106 1HD ARG 14 2HD ARG 14 11.128 7.278 -0.011 107 2HD ARG 14 1HD ARG 14 12.400 6.697 1.062 108 HE ARG 14 HE ARG 14 12.980 6.032 -1.629 109 1HH1 ARG 14 1HH1 ARG 14 12.939 8.721 0.589 110 2HH1 ARG 14 2HH1 ARG 14 14.177 9.595 -0.248 111 1HH2 ARG 14 1HH2 ARG 14 14.607 7.180 -2.740 112 2HH2 ARG 14 2HH2 ARG 14 15.124 8.722 -2.142 113 H ASP 15 H ASP 15 10.727 2.641 -0.825 114 HA ASP 15 HA ASP 15 8.776 3.327 -2.721 115 1HB ASP 15 2HB ASP 15 10.906 1.189 -2.839 116 2HB ASP 15 1HB ASP 15 9.959 1.736 -4.217 117 H LYS 16 H LYS 16 9.405 0.155 -1.185 118 HA LYS 16 HA LYS 16 7.347 -1.198 -2.532 119 1HB LYS 16 2HB LYS 16 8.558 -1.810 0.165 120 2HB LYS 16 1HB LYS 16 7.563 -2.913 -0.777 121 1HG LYS 16 2HG LYS 16 9.440 -2.333 -2.603 122 2HG LYS 16 1HG LYS 16 10.384 -2.137 -1.124 123 1HD LYS 16 2HD LYS 16 10.667 -4.390 -1.659 124 2HD LYS 16 1HD LYS 16 9.394 -4.407 -0.437 125 1HE LYS 16 2HE LYS 16 7.719 -4.452 -2.288 126 2HE LYS 16 1HE LYS 16 9.054 -4.620 -3.426 127 1HZ LYS 16 1HZ LYS 16 8.295 -6.525 -1.284 128 2HZ LYS 16 2HZ LYS 16 9.696 -6.666 -2.219 129 3HZ LYS 16 3HZ LYS 16 8.175 -6.771 -2.953 130 H VAL 17 H VAL 17 7.289 0.669 0.464 131 HA VAL 17 HA VAL 17 4.642 -0.182 1.143 132 HB VAL 17 HB VAL 17 4.790 1.607 2.847 133 1HG1 VAL 17 1HG1 VAL 17 5.502 -0.740 3.259 134 2HG1 VAL 17 2HG1 VAL 17 6.362 0.438 4.249 135 3HG1 VAL 17 3HG1 VAL 17 7.147 -0.263 2.835 136 1HG2 VAL 17 1HG2 VAL 17 6.170 3.203 1.920 137 2HG2 VAL 17 2HG2 VAL 17 7.386 2.008 1.477 138 3HG2 VAL 17 3HG2 VAL 17 7.173 2.464 3.168 139 H ASN 18 H ASN 18 6.127 2.599 -0.406 140 HA ASN 18 HA ASN 18 3.900 4.295 -0.476 141 1HB ASN 18 2HB ASN 18 6.314 4.001 -2.255 142 2HB ASN 18 1HB ASN 18 5.048 5.154 -2.651 143 1HD2 ASN 18 1HD2 ASN 18 5.934 4.375 0.630 144 2HD2 ASN 18 2HD2 ASN 18 6.692 5.881 0.996 145 H VAL 19 H VAL 19 4.885 1.622 -2.511 146 HA VAL 19 HA VAL 19 2.702 2.013 -4.373 147 HB VAL 19 HB VAL 19 5.140 0.871 -4.675 148 1HG1 VAL 19 1HG1 VAL 19 4.901 -1.533 -4.952 149 2HG1 VAL 19 2HG1 VAL 19 3.243 -1.450 -4.359 150 3HG1 VAL 19 3HG1 VAL 19 4.584 -1.059 -3.282 151 1HG2 VAL 19 1HG2 VAL 19 4.177 -0.154 -6.778 152 2HG2 VAL 19 2HG2 VAL 19 3.877 1.566 -6.536 153 3HG2 VAL 19 3HG2 VAL 19 2.601 0.395 -6.208 154 H ASP 20 H ASP 20 3.388 0.331 -1.475 155 HA ASP 20 HA ASP 20 1.390 -1.691 -1.647 156 1HB ASP 20 2HB ASP 20 3.307 -1.847 -0.097 157 2HB ASP 20 1HB ASP 20 2.681 -0.473 0.807 158 H LEU 21 H LEU 21 1.535 1.496 -0.132 159 HA LEU 21 HA LEU 21 -1.113 1.433 0.878 160 1HB LEU 21 2HB LEU 21 -0.791 3.866 1.212 161 2HB LEU 21 1HB LEU 21 0.500 2.897 1.895 162 HG LEU 21 HG LEU 21 1.678 3.428 -0.403 163 1HD1 LEU 21 1HD1 LEU 21 1.164 5.690 -1.170 164 2HD1 LEU 21 2HD1 LEU 21 -0.210 5.750 -0.064 165 3HD1 LEU 21 3HD1 LEU 21 -0.200 4.596 -1.399 166 1HD2 LEU 21 1HD2 LEU 21 2.754 5.338 0.670 167 2HD2 LEU 21 2HD2 LEU 21 2.521 4.013 1.810 168 3HD2 LEU 21 3HD2 LEU 21 1.449 5.413 1.855 169 H ALA 22 H ALA 22 0.398 2.259 -2.098 170 HA ALA 22 HA ALA 22 -1.625 3.802 -3.278 171 1HB ALA 22 1HB ALA 22 0.636 3.652 -4.188 172 2HB ALA 22 2HB ALA 22 -0.562 3.208 -5.404 173 3HB ALA 22 3HB ALA 22 0.368 1.953 -4.583 174 H ALA 23 H ALA 23 -0.934 0.338 -3.421 175 HA ALA 23 HA ALA 23 -3.090 -0.434 -5.023 176 1HB ALA 23 1HB ALA 23 -2.719 -2.675 -4.177 177 2HB ALA 23 2HB ALA 23 -1.785 -2.035 -2.825 178 3HB ALA 23 3HB ALA 23 -1.172 -1.882 -4.470 179 H SER 24 H SER 24 -2.878 0.360 -1.658 180 HA SER 24 HA SER 24 -5.361 -0.794 -0.862 181 1HB SER 24 2HB SER 24 -3.389 -0.094 0.643 182 2HB SER 24 1HB SER 24 -4.052 1.536 0.518 183 HG SER 24 HG SER 24 -5.964 0.791 1.434 184 H GLY 25 H GLY 25 -4.397 2.599 -1.513 185 1HA GLY 25 2HA GLY 25 -6.926 3.712 -1.063 186 2HA GLY 25 1HA GLY 25 -5.664 4.419 -2.059 187 H VAL 26 H VAL 26 -5.455 2.491 -4.043 188 HA VAL 26 HA VAL 26 -7.392 3.320 -5.833 189 HB VAL 26 HB VAL 26 -5.670 0.845 -5.901 190 1HG1 VAL 26 1HG1 VAL 26 -6.130 0.832 -8.339 191 2HG1 VAL 26 2HG1 VAL 26 -7.361 2.067 -8.082 192 3HG1 VAL 26 3HG1 VAL 26 -7.552 0.467 -7.362 193 1HG2 VAL 26 1HG2 VAL 26 -4.290 2.163 -7.426 194 2HG2 VAL 26 2HG2 VAL 26 -4.455 2.966 -5.864 195 3HG2 VAL 26 3HG2 VAL 26 -5.390 3.531 -7.249 196 H ALA 27 H ALA 27 -7.199 0.019 -4.418 197 HA ALA 27 HA ALA 27 -9.936 -0.467 -5.273 198 1HB ALA 27 1HB ALA 27 -8.037 -2.338 -3.876 199 2HB ALA 27 2HB ALA 27 -8.197 -2.168 -5.626 200 3HB ALA 27 3HB ALA 27 -9.553 -2.765 -4.670 201 H TYR 28 H TYR 28 -8.179 -0.795 -2.178 202 HA TYR 28 HA TYR 28 -10.226 -1.505 -0.527 203 1HB TYR 28 2HB TYR 28 -7.610 -0.631 -0.191 204 2HB TYR 28 1HB TYR 28 -8.559 0.504 0.755 205 HD1 TYR 28 1HD TYR 28 -7.593 -0.214 2.835 206 HD2 TYR 28 2HD TYR 28 -9.625 -2.999 0.338 207 HE1 TYR 28 1HE TYR 28 -7.643 -1.826 4.687 208 HE2 TYR 28 2HE TYR 28 -9.683 -4.618 2.188 209 HH TYR 28 HH TYR 28 -8.974 -3.783 5.390 210 H LYS 29 H LYS 29 -9.537 1.794 -1.647 211 HA LYS 29 HA LYS 29 -11.476 2.973 0.090 212 1HB LYS 29 2HB LYS 29 -9.712 4.379 -0.621 213 2HB LYS 29 1HB LYS 29 -9.973 3.980 -2.309 214 1HG LYS 29 2HG LYS 29 -12.246 5.258 -0.957 215 2HG LYS 29 1HG LYS 29 -10.807 6.259 -1.161 216 1HD LYS 29 2HD LYS 29 -10.809 5.740 -3.566 217 2HD LYS 29 1HD LYS 29 -12.274 4.781 -3.346 218 1HE LYS 29 2HE LYS 29 -13.475 6.759 -2.594 219 2HE LYS 29 1HE LYS 29 -12.008 7.725 -2.750 220 1HZ LYS 29 1HZ LYS 29 -13.478 8.006 -4.651 221 2HZ LYS 29 2HZ LYS 29 -13.407 6.347 -4.980 222 3HZ LYS 29 3HZ LYS 29 -12.015 7.297 -5.122 223 H GLU 30 H GLU 30 -11.552 2.019 -3.339 224 HA GLU 30 HA GLU 30 -14.152 3.123 -3.758 225 1HB GLU 30 2HB GLU 30 -12.112 2.229 -5.390 226 2HB GLU 30 1HB GLU 30 -13.367 1.017 -5.616 227 1HG GLU 30 2HG GLU 30 -13.671 3.985 -5.992 228 2HG GLU 30 1HG GLU 30 -13.552 2.776 -7.270 229 H ARG 31 H ARG 31 -12.964 0.038 -2.663 230 HA ARG 31 HA ARG 31 -15.409 -1.362 -3.195 231 1HB ARG 31 2HB ARG 31 -13.136 -2.169 -1.376 232 2HB ARG 31 1HB ARG 31 -14.402 -3.216 -2.001 233 1HG ARG 31 2HG ARG 31 -12.410 -1.773 -3.733 234 2HG ARG 31 1HG ARG 31 -12.209 -3.428 -3.159 235 1HD ARG 31 2HD ARG 31 -13.090 -3.626 -5.322 236 2HD ARG 31 1HD ARG 31 -14.455 -3.912 -4.244 237 HE ARG 31 HE ARG 31 -14.942 -1.438 -4.692 238 1HH1 ARG 31 1HH1 ARG 31 -13.486 -3.606 -7.000 239 2HH1 ARG 31 2HH1 ARG 31 -14.086 -2.745 -8.378 240 1HH2 ARG 31 1HH2 ARG 31 -15.734 -0.301 -6.498 241 2HH2 ARG 31 2HH2 ARG 31 -15.365 -0.867 -8.092 242 H LEU 32 H LEU 32 -13.802 -0.789 -0.043 243 HA LEU 32 HA LEU 32 -16.307 -1.074 1.308 244 1HB LEU 32 2HB LEU 32 -13.724 -0.123 2.520 245 2HB LEU 32 1HB LEU 32 -15.066 -0.904 3.325 246 HG LEU 32 HG LEU 32 -13.642 -2.660 3.243 247 1HD1 LEU 32 1HD1 LEU 32 -15.561 -3.353 1.890 248 2HD1 LEU 32 2HD1 LEU 32 -14.070 -4.170 1.407 249 3HD1 LEU 32 3HD1 LEU 32 -14.705 -2.842 0.437 250 1HD2 LEU 32 1HD2 LEU 32 -11.984 -1.106 1.963 251 2HD2 LEU 32 2HD2 LEU 32 -12.480 -2.066 0.571 252 3HD2 LEU 32 3HD2 LEU 32 -11.754 -2.856 1.973 253 H ASN 33 H ASN 33 -14.032 1.526 2.104 254 HA ASN 33 HA ASN 33 -15.425 3.697 1.109 255 1HB ASN 33 2HB ASN 33 -16.381 4.448 3.383 256 2HB ASN 33 1HB ASN 33 -17.302 3.277 2.448 257 1HD2 ASN 33 1HD2 ASN 33 -18.344 2.448 4.236 258 2HD2 ASN 33 2HD2 ASN 33 -17.539 1.479 5.420 259 H ILE 34 H ILE 34 -12.781 2.481 2.089 260 HA ILE 34 HA ILE 34 -11.654 3.969 4.117 261 HB ILE 34 HB ILE 34 -10.446 2.766 1.637 262 1HG1 ILE 34 2HG1 ILE 34 -9.449 1.206 3.268 263 2HG1 ILE 34 1HG1 ILE 34 -10.224 2.089 4.577 264 1HG2 ILE 34 1HG2 ILE 34 -8.212 3.173 2.619 265 2HG2 ILE 34 2HG2 ILE 34 -8.967 4.223 3.819 266 3HG2 ILE 34 3HG2 ILE 34 -9.032 4.651 2.110 267 1HD1 ILE 34 1HD1 ILE 34 -11.665 0.639 2.370 268 2HD1 ILE 34 2HD1 ILE 34 -12.405 1.460 3.743 269 3HD1 ILE 34 3HD1 ILE 34 -11.410 0.028 4.004 270 HA PRO 35 HA PRO 35 -11.800 8.040 2.316 271 1HB PRO 35 2HB PRO 35 -10.820 9.424 4.371 272 2HB PRO 35 1HB PRO 35 -12.396 8.626 4.480 273 1HG PRO 35 2HG PRO 35 -9.725 7.670 5.473 274 2HG PRO 35 1HG PRO 35 -11.278 7.723 6.338 275 1HD PRO 35 2HD PRO 35 -10.330 5.472 5.147 276 2HD PRO 35 1HD PRO 35 -12.065 5.826 5.288 277 H VAL 36 H VAL 36 -10.184 7.593 0.664 278 HA VAL 36 HA VAL 36 -7.792 9.148 1.056 279 HB VAL 36 HB VAL 36 -6.266 7.399 0.197 280 1HG1 VAL 36 1HG1 VAL 36 -7.673 6.689 2.771 281 2HG1 VAL 36 2HG1 VAL 36 -6.315 7.799 2.582 282 3HG1 VAL 36 3HG1 VAL 36 -6.095 6.077 2.271 283 1HG2 VAL 36 1HG2 VAL 36 -7.882 6.009 -0.930 284 2HG2 VAL 36 2HG2 VAL 36 -8.636 5.590 0.609 285 3HG2 VAL 36 3HG2 VAL 36 -6.994 5.050 0.256 286 H ILE 37 H ILE 37 -6.642 9.455 -1.071 287 HA ILE 37 HA ILE 37 -8.651 9.442 -3.206 288 HB ILE 37 HB ILE 37 -6.093 11.031 -3.053 289 1HG1 ILE 37 2HG1 ILE 37 -7.632 11.739 -1.301 290 2HG1 ILE 37 1HG1 ILE 37 -7.549 12.962 -2.565 291 1HG2 ILE 37 1HG2 ILE 37 -6.879 10.595 -5.334 292 2HG2 ILE 37 2HG2 ILE 37 -7.005 12.302 -4.910 293 3HG2 ILE 37 3HG2 ILE 37 -8.447 11.288 -4.916 294 1HD1 ILE 37 1HD1 ILE 37 -9.668 12.139 -3.480 295 2HD1 ILE 37 2HD1 ILE 37 -9.824 12.664 -1.804 296 3HD1 ILE 37 3HD1 ILE 37 -9.750 10.944 -2.186 297 H ALA 38 H ALA 38 -8.429 8.204 -4.921 298 HA ALA 38 HA ALA 38 -6.436 6.220 -5.092 299 1HB ALA 38 1HB ALA 38 -7.482 5.588 -7.187 300 2HB ALA 38 2HB ALA 38 -8.374 7.109 -7.218 301 3HB ALA 38 3HB ALA 38 -8.700 5.920 -5.956 302 H GLU 39 H GLU 39 -6.857 9.256 -6.918 303 HA GLU 39 HA GLU 39 -4.634 8.708 -8.636 304 1HB GLU 39 2HB GLU 39 -4.881 11.124 -9.285 305 2HB GLU 39 1HB GLU 39 -6.313 10.131 -9.507 306 1HG GLU 39 2HG GLU 39 -7.229 11.013 -7.406 307 2HG GLU 39 1HG GLU 39 -5.807 12.040 -7.238 308 H GLN 40 H GLN 40 -4.953 9.934 -5.474 309 HA GLN 40 HA GLN 40 -2.685 11.606 -5.322 310 1HB GLN 40 2HB GLN 40 -4.628 10.717 -3.546 311 2HB GLN 40 1HB GLN 40 -3.135 10.043 -2.910 312 1HG GLN 40 2HG GLN 40 -2.278 12.510 -3.322 313 2HG GLN 40 1HG GLN 40 -3.996 12.866 -3.160 314 1HE2 GLN 40 1HE2 GLN 40 -5.019 12.503 -1.186 315 2HE2 GLN 40 2HE2 GLN 40 -4.132 12.269 0.279 316 H VAL 41 H VAL 41 -3.144 8.148 -5.011 317 HA VAL 41 HA VAL 41 -0.360 7.685 -4.356 318 HB VAL 41 HB VAL 41 -0.914 5.433 -4.003 319 1HG1 VAL 41 1HG1 VAL 41 -2.892 5.488 -2.560 320 2HG1 VAL 41 2HG1 VAL 41 -3.352 7.042 -3.254 321 3HG1 VAL 41 3HG1 VAL 41 -1.867 6.902 -2.311 322 1HG2 VAL 41 1HG2 VAL 41 -2.073 5.080 -6.147 323 2HG2 VAL 41 2HG2 VAL 41 -3.501 5.872 -5.484 324 3HG2 VAL 41 3HG2 VAL 41 -2.933 4.356 -4.790 325 H ALA 42 H ALA 42 -2.377 7.841 -7.108 326 HA ALA 42 HA ALA 42 -1.033 6.065 -8.832 327 1HB ALA 42 1HB ALA 42 -3.287 6.856 -9.272 328 2HB ALA 42 2HB ALA 42 -2.217 7.208 -10.630 329 3HB ALA 42 3HB ALA 42 -2.675 8.493 -9.512 330 H ARG 43 H ARG 43 -0.375 9.356 -7.882 331 HA ARG 43 HA ARG 43 1.537 9.743 -10.041 332 1HB ARG 43 2HB ARG 43 1.842 11.992 -9.029 333 2HB ARG 43 1HB ARG 43 0.177 11.639 -9.471 334 1HG ARG 43 2HG ARG 43 -0.181 12.533 -7.421 335 2HG ARG 43 1HG ARG 43 0.070 10.854 -6.941 336 1HD ARG 43 2HD ARG 43 1.336 12.397 -5.524 337 2HD ARG 43 1HD ARG 43 2.401 11.327 -6.436 338 HE ARG 43 HE ARG 43 2.169 13.586 -7.971 339 1HH1 ARG 43 1HH1 ARG 43 3.215 12.880 -4.723 340 2HH1 ARG 43 2HH1 ARG 43 4.346 14.190 -4.666 341 1HH2 ARG 43 1HH2 ARG 43 3.657 15.311 -7.905 342 2HH2 ARG 43 2HH2 ARG 43 4.598 15.571 -6.475 343 H GLU 44 H GLU 44 1.601 8.314 -7.032 344 HA GLU 44 HA GLU 44 4.488 8.822 -6.759 345 1HB GLU 44 2HB GLU 44 3.831 7.978 -4.312 346 2HB GLU 44 1HB GLU 44 3.889 9.679 -4.766 347 1HG GLU 44 2HG GLU 44 1.494 9.565 -5.284 348 2HG GLU 44 1HG GLU 44 1.476 7.902 -4.712 349 H GLN 45 H GLN 45 2.780 6.663 -8.082 350 HA GLN 45 HA GLN 45 3.427 4.280 -6.577 351 1HB GLN 45 2HB GLN 45 1.305 4.343 -7.736 352 2HB GLN 45 1HB GLN 45 2.108 4.688 -9.263 353 1HG GLN 45 2HG GLN 45 3.228 2.466 -9.087 354 2HG GLN 45 1HG GLN 45 2.216 2.133 -7.682 355 1HE2 GLN 45 1HE2 GLN 45 -0.002 1.842 -7.961 356 2HE2 GLN 45 2HE2 GLN 45 -0.690 1.491 -9.507 357 HA PRO 46 HA PRO 46 7.378 4.195 -8.810 358 1HB PRO 46 2HB PRO 46 8.081 2.043 -6.971 359 2HB PRO 46 1HB PRO 46 8.812 3.638 -7.148 360 1HG PRO 46 2HG PRO 46 7.361 2.935 -4.974 361 2HG PRO 46 1HG PRO 46 7.419 4.596 -5.592 362 1HD PRO 46 2HD PRO 46 5.304 2.508 -5.969 363 2HD PRO 46 1HD PRO 46 5.124 4.239 -5.623 364 H GLU 47 H GLU 47 7.254 3.213 -10.719 365 HA GLU 47 HA GLU 47 5.938 0.820 -11.290 366 1HB GLU 47 2HB GLU 47 6.582 1.181 -13.446 367 2HB GLU 47 1HB GLU 47 6.915 2.774 -12.785 368 1HG GLU 47 2HG GLU 47 9.239 2.314 -12.617 369 2HG GLU 47 1HG GLU 47 8.981 0.615 -13.004 370 H ASN 48 H ASN 48 8.896 1.308 -9.748 371 HA ASN 48 HA ASN 48 10.243 -1.063 -10.625 372 1HB ASN 48 2HB ASN 48 10.717 0.691 -8.205 373 2HB ASN 48 1HB ASN 48 11.795 -0.590 -8.750 374 1HD2 ASN 48 1HD2 ASN 48 13.030 -0.289 -10.587 375 2HD2 ASN 48 2HD2 ASN 48 13.246 1.265 -11.313 376 H LEU 49 H LEU 49 7.782 -0.371 -8.358 377 HA LEU 49 HA LEU 49 8.047 -3.070 -7.202 378 1HB LEU 49 2HB LEU 49 6.944 -0.570 -5.917 379 2HB LEU 49 1HB LEU 49 6.813 -2.173 -5.222 380 HG LEU 49 HG LEU 49 8.595 -1.095 -4.101 381 1HD1 LEU 49 1HD1 LEU 49 9.007 -3.437 -4.784 382 2HD1 LEU 49 2HD1 LEU 49 10.486 -2.497 -4.584 383 3HD1 LEU 49 3HD1 LEU 49 9.871 -2.839 -6.200 384 1HD2 LEU 49 1HD2 LEU 49 8.907 0.678 -5.837 385 2HD2 LEU 49 2HD2 LEU 49 9.879 -0.474 -6.753 386 3HD2 LEU 49 3HD2 LEU 49 10.404 0.045 -5.154 387 H ARG 50 H ARG 50 6.612 -1.862 -9.559 388 HA ARG 50 HA ARG 50 3.863 -1.762 -9.224 389 1HB ARG 50 2HB ARG 50 5.309 -1.352 -11.338 390 2HB ARG 50 1HB ARG 50 5.078 -3.067 -11.642 391 1HG ARG 50 2HG ARG 50 2.681 -2.772 -11.711 392 2HG ARG 50 1HG ARG 50 2.857 -1.066 -11.295 393 1HD ARG 50 2HD ARG 50 2.509 -1.201 -13.649 394 2HD ARG 50 1HD ARG 50 4.201 -0.782 -13.384 395 HE ARG 50 HE ARG 50 3.991 -3.567 -13.600 396 1HH1 ARG 50 1HH1 ARG 50 3.654 -0.706 -15.562 397 2HH1 ARG 50 2HH1 ARG 50 4.084 -1.510 -17.035 398 1HH2 ARG 50 1HH2 ARG 50 4.557 -4.632 -15.534 399 2HH2 ARG 50 2HH2 ARG 50 4.596 -3.742 -17.019 400 H THR 51 H THR 51 6.007 -4.436 -9.112 401 HA THR 51 HA THR 51 4.101 -6.502 -9.576 402 HB THR 51 HB THR 51 6.785 -6.597 -8.183 403 HG1 THR 51 1HG THR 51 7.472 -7.398 -10.229 404 1HG2 THR 51 1HG2 THR 51 5.064 -8.832 -9.252 405 2HG2 THR 51 2HG2 THR 51 5.384 -8.489 -7.552 406 3HG2 THR 51 3HG2 THR 51 6.696 -9.007 -8.610 407 H TYR 52 H TYR 52 5.586 -5.137 -6.648 408 HA TYR 52 HA TYR 52 4.270 -6.735 -4.767 409 1HB TYR 52 2HB TYR 52 6.257 -5.328 -4.316 410 2HB TYR 52 1HB TYR 52 5.268 -3.887 -4.501 411 HD1 TYR 52 1HD TYR 52 5.509 -2.937 -2.380 412 HD2 TYR 52 2HD TYR 52 4.302 -6.998 -2.724 413 HE1 TYR 52 1HE TYR 52 5.006 -2.976 0.023 414 HE2 TYR 52 2HE TYR 52 3.789 -7.055 -0.326 415 HH TYR 52 HH TYR 52 4.449 -5.846 1.734 416 H PHE 53 H PHE 53 3.534 -3.402 -5.776 417 HA PHE 53 HA PHE 53 1.243 -2.909 -4.438 418 1HB PHE 53 2HB PHE 53 1.715 -1.092 -5.685 419 2HB PHE 53 1HB PHE 53 2.342 -2.043 -7.026 420 HD1 PHE 53 1HD PHE 53 -0.342 -0.059 -5.808 421 HD2 PHE 53 2HD PHE 53 0.616 -3.124 -8.608 422 HE1 PHE 53 1HE PHE 53 -2.366 0.485 -7.093 423 HE2 PHE 53 2HE PHE 53 -1.405 -2.579 -9.895 424 HZ PHE 53 HZ PHE 53 -2.900 -0.774 -9.140 425 H MET 54 H MET 54 1.498 -4.907 -7.365 426 HA MET 54 HA MET 54 -1.300 -5.277 -7.628 427 1HB MET 54 2HB MET 54 -0.293 -5.684 -9.629 428 2HB MET 54 1HB MET 54 1.171 -6.314 -8.887 429 1HG MET 54 2HG MET 54 0.062 -8.405 -8.431 430 2HG MET 54 1HG MET 54 -1.435 -7.785 -9.124 431 1HE MET 54 1HE MET 54 -1.710 -7.145 -11.696 432 2HE MET 54 2HE MET 54 -0.424 -7.316 -12.890 433 3HE MET 54 3HE MET 54 -0.285 -6.110 -11.610 434 H GLU 55 H GLU 55 1.284 -7.011 -5.989 435 HA GLU 55 HA GLU 55 -0.114 -9.362 -5.368 436 1HB GLU 55 2HB GLU 55 2.082 -7.952 -3.842 437 2HB GLU 55 1HB GLU 55 1.525 -9.578 -3.493 438 1HG GLU 55 2HG GLU 55 2.201 -10.275 -5.747 439 2HG GLU 55 1HG GLU 55 2.802 -8.648 -6.050 440 H ARG 56 H ARG 56 0.338 -6.388 -3.459 441 HA ARG 56 HA ARG 56 -1.410 -7.175 -1.379 442 1HB ARG 56 2HB ARG 56 0.401 -5.239 -1.547 443 2HB ARG 56 1HB ARG 56 -1.001 -4.288 -2.020 444 1HG ARG 56 2HG ARG 56 -0.717 -4.017 0.316 445 2HG ARG 56 1HG ARG 56 -2.122 -5.057 0.080 446 1HD ARG 56 2HD ARG 56 -0.666 -7.027 0.463 447 2HD ARG 56 1HD ARG 56 0.667 -5.931 0.819 448 HE ARG 56 HE ARG 56 -1.429 -5.223 2.491 449 1HH1 ARG 56 1HH1 ARG 56 0.620 -7.987 1.940 450 2HH1 ARG 56 2HH1 ARG 56 0.542 -8.534 3.581 451 1HH2 ARG 56 1HH2 ARG 56 -1.539 -5.936 4.656 452 2HH2 ARG 56 2HH2 ARG 56 -0.684 -7.368 5.126 453 H LEU 57 H LEU 57 -1.810 -5.339 -4.346 454 HA LEU 57 HA LEU 57 -4.396 -4.402 -4.038 455 1HB LEU 57 2HB LEU 57 -3.086 -3.689 -5.902 456 2HB LEU 57 1HB LEU 57 -2.928 -5.329 -6.498 457 HG LEU 57 HG LEU 57 -5.289 -5.376 -7.096 458 1HD1 LEU 57 1HD1 LEU 57 -6.168 -3.942 -5.337 459 2HD1 LEU 57 2HD1 LEU 57 -6.668 -3.360 -6.924 460 3HD1 LEU 57 3HD1 LEU 57 -5.367 -2.545 -6.056 461 1HD2 LEU 57 1HD2 LEU 57 -5.238 -3.732 -8.899 462 2HD2 LEU 57 2HD2 LEU 57 -3.682 -4.547 -8.732 463 3HD2 LEU 57 3HD2 LEU 57 -3.889 -2.907 -8.115 464 H ARG 58 H ARG 58 -3.475 -7.403 -5.753 465 HA ARG 58 HA ARG 58 -6.025 -8.402 -6.163 466 1HB ARG 58 2HB ARG 58 -4.966 -10.618 -6.343 467 2HB ARG 58 1HB ARG 58 -4.059 -9.385 -7.202 468 1HG ARG 58 2HG ARG 58 -2.431 -9.279 -5.433 469 2HG ARG 58 1HG ARG 58 -3.363 -10.420 -4.468 470 1HD ARG 58 2HD ARG 58 -3.046 -12.124 -6.211 471 2HD ARG 58 1HD ARG 58 -2.079 -10.977 -7.139 472 HE ARG 58 HE ARG 58 -0.810 -11.053 -4.755 473 1HH1 ARG 58 1HH1 ARG 58 -1.861 -13.524 -6.976 474 2HH1 ARG 58 2HH1 ARG 58 -0.600 -14.628 -6.543 475 1HH2 ARG 58 1HH2 ARG 58 0.857 -12.503 -4.182 476 2HH2 ARG 58 2HH2 ARG 58 0.945 -14.049 -4.959 477 H HIS 59 H HIS 59 -3.929 -8.628 -3.366 478 HA HIS 59 HA HIS 59 -5.492 -10.445 -1.870 479 1HB HIS 59 2HB HIS 59 -3.139 -9.898 -1.327 480 2HB HIS 59 1HB HIS 59 -3.632 -8.270 -0.874 481 HD1 HIS 59 1HD HIS 59 -4.933 -8.005 1.365 482 HD2 HIS 59 2HD HIS 59 -3.632 -11.871 0.573 483 HE1 HIS 59 1HE HIS 59 -5.175 -9.252 3.533 484 HE2 HIS 59 2HE HIS 59 -4.275 -11.557 3.059 485 H TYR 60 H TYR 60 -5.297 -6.901 -1.834 486 HA TYR 60 HA TYR 60 -7.175 -6.297 0.060 487 1HB TYR 60 2HB TYR 60 -6.251 -4.908 -2.420 488 2HB TYR 60 1HB TYR 60 -7.639 -4.256 -1.557 489 HD1 TYR 60 1HD TYR 60 -4.323 -3.723 -1.978 490 HD2 TYR 60 2HD TYR 60 -7.080 -4.391 1.189 491 HE1 TYR 60 1HE TYR 60 -2.819 -2.550 -0.426 492 HE2 TYR 60 2HE TYR 60 -5.589 -3.217 2.748 493 HH TYR 60 HH TYR 60 -3.196 -2.665 2.943 494 H ARG 61 H ARG 61 -7.708 -7.354 -3.258 495 HA ARG 61 HA ARG 61 -10.451 -6.708 -3.404 496 1HB ARG 61 2HB ARG 61 -8.995 -7.288 -5.353 497 2HB ARG 61 1HB ARG 61 -9.001 -8.959 -4.808 498 1HG ARG 61 2HG ARG 61 -11.412 -9.068 -5.115 499 2HG ARG 61 1HG ARG 61 -11.429 -7.381 -5.632 500 1HD ARG 61 2HD ARG 61 -11.486 -8.788 -7.578 501 2HD ARG 61 1HD ARG 61 -9.918 -7.988 -7.499 502 HE ARG 61 HE ARG 61 -9.774 -10.510 -6.244 503 1HH1 ARG 61 1HH1 ARG 61 -10.023 -9.053 -9.400 504 2HH1 ARG 61 2HH1 ARG 61 -9.236 -10.366 -10.210 505 1HH2 ARG 61 1HH2 ARG 61 -8.736 -12.243 -7.305 506 2HH2 ARG 61 2HH2 ARG 61 -8.505 -12.179 -9.020 507 H GLN 62 H GLN 62 -8.708 -9.609 -2.376 508 HA GLN 62 HA GLN 62 -10.891 -11.295 -1.950 509 1HB GLN 62 2HB GLN 62 -8.275 -11.128 -0.433 510 2HB GLN 62 1HB GLN 62 -9.409 -12.469 -0.327 511 1HG GLN 62 2HG GLN 62 -9.100 -12.856 -2.754 512 2HG GLN 62 1HG GLN 62 -7.871 -11.591 -2.759 513 1HE2 GLN 62 1HE2 GLN 62 -6.237 -12.985 -3.379 514 2HE2 GLN 62 2HE2 GLN 62 -5.578 -14.177 -2.317 515 H LEU 63 H LEU 63 -9.458 -8.800 0.085 516 HA LEU 63 HA LEU 63 -11.303 -9.359 2.249 517 1HB LEU 63 2HB LEU 63 -8.934 -7.586 1.887 518 2HB LEU 63 1HB LEU 63 -10.130 -7.141 3.087 519 HG LEU 63 HG LEU 63 -9.811 -9.289 4.226 520 1HD1 LEU 63 1HD1 LEU 63 -7.971 -10.763 3.575 521 2HD1 LEU 63 2HD1 LEU 63 -7.684 -9.772 2.144 522 3HD1 LEU 63 3HD1 LEU 63 -9.200 -10.658 2.314 523 1HD2 LEU 63 1HD2 LEU 63 -7.580 -8.860 5.101 524 2HD2 LEU 63 2HD2 LEU 63 -8.472 -7.354 4.886 525 3HD2 LEU 63 3HD2 LEU 63 -7.228 -7.815 3.725 526 H SER 64 H SER 64 -11.171 -7.454 -0.579 527 HA SER 64 HA SER 64 -12.636 -5.209 0.220 528 1HB SER 64 2HB SER 64 -13.023 -4.795 -2.058 529 2HB SER 64 1HB SER 64 -11.538 -5.743 -2.085 530 HG SER 64 HG SER 64 -14.158 -6.762 -2.475 531 H LEU 65 H LEU 65 -13.651 -8.451 -0.792 532 HA LEU 65 HA LEU 65 -16.436 -7.872 -0.498 533 1HB LEU 65 2HB LEU 65 -16.597 -9.666 -1.773 534 2HB LEU 65 1HB LEU 65 -14.858 -9.855 -1.692 535 HG LEU 65 HG LEU 65 -15.386 -11.124 0.539 536 1HD1 LEU 65 1HD1 LEU 65 -17.934 -11.639 -0.967 537 2HD1 LEU 65 2HD1 LEU 65 -17.828 -10.474 0.353 538 3HD1 LEU 65 3HD1 LEU 65 -17.487 -12.180 0.653 539 1HD2 LEU 65 1HD2 LEU 65 -15.401 -13.180 -0.700 540 2HD2 LEU 65 2HD2 LEU 65 -14.361 -12.010 -1.518 541 3HD2 LEU 65 3HD2 LEU 65 -15.976 -12.344 -2.144 542 H GLN 66 H GLN 66 -13.996 -9.621 1.418 543 HA GLN 66 HA GLN 66 -15.800 -10.486 3.418 544 1HB GLN 66 2HB GLN 66 -13.996 -11.519 4.274 545 2HB GLN 66 1HB GLN 66 -13.168 -10.972 2.828 546 1HG GLN 66 2HG GLN 66 -11.776 -10.441 4.654 547 2HG GLN 66 1HG GLN 66 -12.495 -8.923 4.111 548 1HE2 GLN 66 1HE2 GLN 66 -12.479 -7.785 5.957 549 2HE2 GLN 66 2HE2 GLN 66 -13.327 -8.224 7.393 550 H LEU 67 H LEU 67 -13.755 -7.647 3.139 551 HA LEU 67 HA LEU 67 -13.875 -6.439 5.560 552 1HB LEU 67 2HB LEU 67 -13.850 -5.415 2.767 553 2HB LEU 67 1HB LEU 67 -14.160 -4.258 4.038 554 HG LEU 67 HG LEU 67 -11.681 -5.043 3.058 555 1HD1 LEU 67 1HD1 LEU 67 -12.442 -3.589 5.574 556 2HD1 LEU 67 2HD1 LEU 67 -12.091 -2.902 3.991 557 3HD1 LEU 67 3HD1 LEU 67 -10.806 -3.658 4.928 558 1HD2 LEU 67 1HD2 LEU 67 -10.506 -6.032 4.924 559 2HD2 LEU 67 2HD2 LEU 67 -11.788 -7.108 4.369 560 3HD2 LEU 67 3HD2 LEU 67 -12.007 -6.155 5.837 561 HA PRO 68 HA PRO 68 -17.865 -4.988 6.766 562 1HB PRO 68 2HB PRO 68 -17.634 -2.280 6.932 563 2HB PRO 68 1HB PRO 68 -16.949 -3.396 8.127 564 1HG PRO 68 2HG PRO 68 -15.612 -2.184 5.713 565 2HG PRO 68 1HG PRO 68 -15.060 -2.159 7.411 566 1HD PRO 68 2HD PRO 68 -14.053 -3.948 5.805 567 2HD PRO 68 1HD PRO 68 -14.635 -4.493 7.392 568 H LYS 69 H LYS 69 -19.175 -2.599 6.269 569 HA LYS 69 HA LYS 69 -20.689 -3.061 4.085 570 1HB LYS 69 2HB LYS 69 -21.467 -0.776 4.218 571 2HB LYS 69 1HB LYS 69 -21.211 -1.408 5.840 572 1HG LYS 69 2HG LYS 69 -19.048 0.148 4.496 573 2HG LYS 69 1HG LYS 69 -20.412 0.985 5.235 574 1HD LYS 69 2HD LYS 69 -19.042 -1.108 6.834 575 2HD LYS 69 1HD LYS 69 -18.196 0.419 6.584 576 1HE LYS 69 2HE LYS 69 -21.028 0.257 7.572 577 2HE LYS 69 1HE LYS 69 -19.637 0.267 8.657 578 1HZ LYS 69 1HZ LYS 69 -20.260 2.392 6.675 579 2HZ LYS 69 2HZ LYS 69 -19.002 2.414 7.806 580 3HZ LYS 69 3HZ LYS 69 -20.609 2.481 8.329 581 H GLY 70 H GLY 70 -20.959 -1.781 2.077 582 1HA GLY 70 2HA GLY 70 -19.886 -0.376 0.391 583 2HA GLY 70 1HA GLY 70 -18.348 -1.070 0.889 584 H SER 71 H SER 71 -19.105 -3.753 1.048 585 HA SER 71 HA SER 71 -20.452 -4.767 -1.180 586 1HB SER 71 2HB SER 71 -18.543 -5.495 -2.577 587 2HB SER 71 1HB SER 71 -18.688 -3.738 -2.520 588 HG SER 71 HG SER 71 -16.869 -3.606 -1.420 589 H ASP 72 H ASP 72 -21.045 -6.033 0.702 590 HA ASP 72 HA ASP 72 -19.360 -8.383 0.954 591 1HB ASP 72 2HB ASP 72 -19.599 -8.340 3.433 592 2HB ASP 72 1HB ASP 72 -18.532 -7.116 2.762 593 HA PRO 73 HA PRO 73 -23.656 -9.810 0.769 594 1HB PRO 73 2HB PRO 73 -22.487 -12.150 -0.492 595 2HB PRO 73 1HB PRO 73 -23.584 -10.956 -1.176 596 1HG PRO 73 2HG PRO 73 -21.021 -11.170 -1.984 597 2HG PRO 73 1HG PRO 73 -21.885 -9.619 -1.935 598 1HD PRO 73 2HD PRO 73 -19.975 -10.759 0.088 599 2HD PRO 73 1HD PRO 73 -20.012 -9.130 -0.614 600 H ALA 74 H ALA 74 -20.764 -11.639 1.590 601 HA ALA 74 HA ALA 74 -22.292 -13.566 3.160 602 1HB ALA 74 1HB ALA 74 -20.586 -14.439 1.683 603 2HB ALA 74 2HB ALA 74 -20.162 -14.769 3.363 604 3HB ALA 74 3HB ALA 74 -19.356 -13.465 2.489 605 H TYR 75 H TYR 75 -21.937 -10.737 4.076 606 HA TYR 75 HA TYR 75 -20.342 -11.160 6.499 607 1HB TYR 75 2HB TYR 75 -20.294 -9.046 4.901 608 2HB TYR 75 1HB TYR 75 -21.636 -8.563 5.924 609 HD1 TYR 75 1HD TYR 75 -21.292 -7.863 8.185 610 HD2 TYR 75 2HD TYR 75 -18.042 -9.370 5.888 611 HE1 TYR 75 1HE TYR 75 -19.718 -7.055 9.891 612 HE2 TYR 75 2HE TYR 75 -16.455 -8.563 7.589 613 HH TYR 75 HH TYR 75 -17.463 -7.495 10.672 614 H GLN 76 H GLN 76 -23.046 -12.273 5.880 615 HA GLN 76 HA GLN 76 -25.064 -11.047 7.308 616 1HB GLN 76 2HB GLN 76 -25.983 -13.397 7.587 617 2HB GLN 76 1HB GLN 76 -25.674 -12.852 5.941 618 1HG GLN 76 2HG GLN 76 -23.335 -13.935 6.437 619 2HG GLN 76 1HG GLN 76 -24.290 -14.902 7.556 620 1HE2 GLN 76 1HE2 GLN 76 -23.742 -14.073 4.227 621 2HE2 GLN 76 2HE2 GLN 76 -24.620 -15.392 3.538 622 H LYS 77 H LYS 77 -26.089 -11.930 9.344 623 HA LYS 77 HA LYS 77 -24.028 -12.528 11.362 624 1HB LYS 77 2HB LYS 77 -25.281 -11.094 12.943 625 2HB LYS 77 1HB LYS 77 -24.637 -10.199 11.575 626 1HG LYS 77 2HG LYS 77 -27.163 -10.934 10.740 627 2HG LYS 77 1HG LYS 77 -27.376 -10.538 12.447 628 1HD LYS 77 2HD LYS 77 -26.272 -8.376 12.070 629 2HD LYS 77 1HD LYS 77 -26.091 -8.777 10.361 630 1HE LYS 77 2HE LYS 77 -28.005 -7.329 10.666 631 2HE LYS 77 1HE LYS 77 -28.539 -8.931 10.160 632 1HZ LYS 77 1HZ LYS 77 -29.047 -9.432 12.485 633 2HZ LYS 77 2HZ LYS 77 -29.929 -8.103 11.926 634 3HZ LYS 77 3HZ LYS 77 -28.591 -7.866 12.932 635 H ASP 78 H ASP 78 -24.556 -13.982 12.939 636 HA ASP 78 HA ASP 78 -25.605 -15.751 13.906 637 1HB ASP 78 2HB ASP 78 -28.123 -14.234 13.197 638 2HB ASP 78 1HB ASP 78 -27.984 -15.517 14.394 639 H ASP 79 H ASP 79 -25.514 -15.297 10.773 640 HA ASP 79 HA ASP 79 -25.925 -16.526 8.911 641 1HB ASP 79 2HB ASP 79 -26.358 -18.657 11.002 642 2HB ASP 79 1HB ASP 79 -26.325 -18.989 9.272 643 H ALA 80 H ALA 80 -28.176 -15.216 10.520 644 HA ALA 80 HA ALA 80 -30.471 -16.764 9.587 645 1HB ALA 80 1HB ALA 80 -30.471 -15.854 11.886 646 2HB ALA 80 2HB ALA 80 -31.823 -15.269 10.915 647 3HB ALA 80 3HB ALA 80 -30.432 -14.224 11.213 648 H VAL 81 H VAL 81 -29.595 -13.302 9.537 649 HA VAL 81 HA VAL 81 -30.761 -13.155 6.833 650 HB VAL 81 HB VAL 81 -32.098 -11.919 8.488 651 1HG1 VAL 81 1HG1 VAL 81 -30.340 -11.376 10.080 652 2HG1 VAL 81 2HG1 VAL 81 -31.192 -9.919 9.568 653 3HG1 VAL 81 3HG1 VAL 81 -29.598 -10.287 8.908 654 1HG2 VAL 81 1HG2 VAL 81 -30.619 -10.138 6.552 655 2HG2 VAL 81 2HG2 VAL 81 -32.167 -9.769 7.312 656 3HG2 VAL 81 3HG2 VAL 81 -32.038 -11.123 6.190 657 H LYS 82 H LYS 82 -29.726 -11.837 5.300 658 HA LYS 82 HA LYS 82 -26.875 -11.454 5.826 659 1HB LYS 82 2HB LYS 82 -26.806 -11.115 3.294 660 2HB LYS 82 1HB LYS 82 -27.184 -12.728 3.876 661 1HG LYS 82 2HG LYS 82 -29.424 -10.866 3.273 662 2HG LYS 82 1HG LYS 82 -28.558 -11.628 1.937 663 1HD LYS 82 2HD LYS 82 -29.051 -13.824 2.816 664 2HD LYS 82 1HD LYS 82 -29.798 -13.116 4.250 665 1HE LYS 82 2HE LYS 82 -30.775 -12.786 1.415 666 2HE LYS 82 1HE LYS 82 -31.465 -13.877 2.614 667 1HZ LYS 82 1HZ LYS 82 -31.988 -11.948 3.992 668 2HZ LYS 82 2HZ LYS 82 -32.739 -11.845 2.481 669 3HZ LYS 82 3HZ LYS 82 -31.364 -10.914 2.806 670 H LYS 83 H LYS 83 -25.863 -9.521 5.725 671 HA LYS 83 HA LYS 83 -27.007 -7.190 4.562 672 1HB LYS 83 2HB LYS 83 -28.400 -7.305 6.587 673 2HB LYS 83 1HB LYS 83 -26.951 -7.328 7.583 674 1HG LYS 83 2HG LYS 83 -26.369 -5.099 6.851 675 2HG LYS 83 1HG LYS 83 -27.753 -5.071 5.757 676 1HD LYS 83 2HD LYS 83 -29.256 -5.305 7.702 677 2HD LYS 83 1HD LYS 83 -27.851 -5.250 8.769 678 1HE LYS 83 2HE LYS 83 -28.954 -3.070 8.616 679 2HE LYS 83 1HE LYS 83 -27.312 -3.015 7.975 680 1HZ LYS 83 1HZ LYS 83 -28.211 -3.165 5.740 681 2HZ LYS 83 2HZ LYS 83 -28.870 -1.834 6.549 682 3HZ LYS 83 3HZ LYS 83 -29.789 -3.240 6.349 Start of MODEL 2 1 1H MET 1 1HT MET 1 -5.991 8.717 4.353 2 2H MET 1 2HT MET 1 -7.234 8.636 5.496 3 3H MET 1 3HT MET 1 -5.625 8.744 6.004 4 HA MET 1 HA MET 1 -7.117 10.829 4.520 5 1HB MET 1 2HB MET 1 -6.116 10.884 7.373 6 2HB MET 1 1HB MET 1 -7.096 12.102 6.569 7 1HG MET 1 2HG MET 1 -8.597 10.954 7.920 8 2HG MET 1 1HG MET 1 -8.855 10.273 6.316 9 1HE MET 1 1HE MET 1 -9.452 7.224 8.729 10 2HE MET 1 2HE MET 1 -10.113 8.137 7.373 11 3HE MET 1 3HE MET 1 -9.910 8.915 8.941 12 H TYR 2 H TYR 2 -5.707 11.710 3.144 13 HA TYR 2 HA TYR 2 -3.832 12.677 2.292 14 1HB TYR 2 2HB TYR 2 -3.186 13.255 5.193 15 2HB TYR 2 1HB TYR 2 -2.512 14.079 3.790 16 HD1 TYR 2 1HD TYR 2 -5.256 13.918 6.126 17 HD2 TYR 2 2HD TYR 2 -4.029 15.492 2.367 18 HE1 TYR 2 1HE TYR 2 -7.090 15.553 6.217 19 HE2 TYR 2 2HE TYR 2 -5.858 17.132 2.450 20 HH TYR 2 HH TYR 2 -7.664 17.732 5.269 21 H ASP 3 H ASP 3 -1.224 12.837 3.018 22 HA ASP 3 HA ASP 3 -0.345 10.127 2.687 23 1HB ASP 3 2HB ASP 3 1.944 11.165 2.693 24 2HB ASP 3 1HB ASP 3 0.843 11.837 1.492 25 H TRP 4 H TRP 4 1.621 9.380 4.048 26 HA TRP 4 HA TRP 4 1.646 10.219 6.793 27 1HB TRP 4 2HB TRP 4 0.928 8.026 7.714 28 2HB TRP 4 1HB TRP 4 -0.365 8.871 6.870 29 HD1 TRP 4 HD TRP 4 2.239 6.099 6.044 30 HE1 TRP 4 1HE TRP 4 1.102 4.394 4.485 31 HE3 TRP 4 3HE TRP 4 -2.310 8.378 5.519 32 HZ2 TRP 4 2HZ TRP 4 -1.390 4.056 3.208 33 HZ3 TRP 4 3HZ TRP 4 -4.014 7.295 4.113 34 HH2 TRP 4 HH TRP 4 -3.563 5.180 2.981 35 H ASN 5 H ASN 5 2.934 8.601 4.137 36 HA ASN 5 HA ASN 5 4.895 7.056 5.584 37 1HB ASN 5 2HB ASN 5 3.931 6.375 3.360 38 2HB ASN 5 1HB ASN 5 4.843 7.691 2.630 39 1HD2 ASN 5 1HD2 ASN 5 5.064 4.631 4.297 40 2HD2 ASN 5 2HD2 ASN 5 6.683 4.265 3.818 41 H ILE 6 H ILE 6 4.949 9.789 6.274 42 HA ILE 6 HA ILE 6 7.181 11.010 4.903 43 HB ILE 6 HB ILE 6 5.899 11.912 7.479 44 1HG1 ILE 6 2HG1 ILE 6 5.170 12.664 4.641 45 2HG1 ILE 6 1HG1 ILE 6 4.190 11.686 5.729 46 1HG2 ILE 6 1HG2 ILE 6 7.482 13.412 5.395 47 2HG2 ILE 6 2HG2 ILE 6 8.067 12.919 6.982 48 3HG2 ILE 6 3HG2 ILE 6 6.772 14.107 6.851 49 1HD1 ILE 6 1HD1 ILE 6 3.289 13.880 5.714 50 2HD1 ILE 6 2HD1 ILE 6 4.873 14.600 5.996 51 3HD1 ILE 6 3HD1 ILE 6 4.095 13.657 7.265 52 H ALA 7 H ALA 7 6.688 8.901 7.538 53 HA ALA 7 HA ALA 7 9.135 9.557 8.921 54 1HB ALA 7 1HB ALA 7 7.269 7.220 9.302 55 2HB ALA 7 2HB ALA 7 7.181 8.759 10.160 56 3HB ALA 7 3HB ALA 7 8.572 7.699 10.389 57 H ALA 8 H ALA 8 8.600 8.099 6.072 58 HA ALA 8 HA ALA 8 10.100 5.732 6.204 59 1HB ALA 8 1HB ALA 8 9.608 7.543 3.846 60 2HB ALA 8 2HB ALA 8 8.596 6.187 4.354 61 3HB ALA 8 3HB ALA 8 10.234 5.895 3.760 62 H LYS 9 H LYS 9 12.250 5.307 6.006 63 HA LYS 9 HA LYS 9 14.047 7.622 5.726 64 1HB LYS 9 2HB LYS 9 14.056 6.839 8.020 65 2HB LYS 9 1HB LYS 9 14.344 5.189 7.492 66 1HG LYS 9 2HG LYS 9 16.310 7.284 6.732 67 2HG LYS 9 1HG LYS 9 16.290 6.695 8.395 68 1HD LYS 9 2HD LYS 9 16.391 4.849 6.027 69 2HD LYS 9 1HD LYS 9 17.851 5.503 6.777 70 1HE LYS 9 2HE LYS 9 15.733 3.845 8.146 71 2HE LYS 9 1HE LYS 9 17.325 3.279 7.646 72 1HZ LYS 9 1HZ LYS 9 16.775 5.379 9.673 73 2HZ LYS 9 2HZ LYS 9 18.315 4.893 9.171 74 3HZ LYS 9 3HZ LYS 9 17.310 3.804 9.988 75 H SER 10 H SER 10 13.864 4.084 5.390 76 HA SER 10 HA SER 10 16.112 4.033 3.580 77 1HB SER 10 2HB SER 10 15.745 2.172 5.137 78 2HB SER 10 1HB SER 10 14.187 1.838 4.382 79 HG SER 10 HG SER 10 16.181 0.609 3.689 80 H GLN 11 H GLN 11 16.010 3.153 1.438 81 HA GLN 11 HA GLN 11 13.998 4.384 -0.140 82 1HB GLN 11 2HB GLN 11 15.946 2.269 -1.042 83 2HB GLN 11 1HB GLN 11 15.180 3.509 -2.028 84 1HG GLN 11 2HG GLN 11 17.082 4.105 0.212 85 2HG GLN 11 1HG GLN 11 17.587 3.895 -1.464 86 1HE2 GLN 11 1HE2 GLN 11 18.349 5.991 -1.634 87 2HE2 GLN 11 2HE2 GLN 11 17.299 7.361 -1.706 88 H GLU 12 H GLU 12 14.566 1.138 1.018 89 HA GLU 12 HA GLU 12 12.642 -0.152 -0.630 90 1HB GLU 12 2HB GLU 12 13.794 -0.982 2.041 91 2HB GLU 12 1HB GLU 12 12.850 -2.022 0.982 92 1HG GLU 12 2HG GLU 12 14.547 -1.915 -0.719 93 2HG GLU 12 1HG GLU 12 15.468 -0.747 0.226 94 H GLU 13 H GLU 13 12.477 1.564 2.404 95 HA GLU 13 HA GLU 13 9.917 0.598 3.191 96 1HB GLU 13 2HB GLU 13 11.411 3.107 3.971 97 2HB GLU 13 1HB GLU 13 9.928 2.556 4.736 98 1HG GLU 13 2HG GLU 13 11.073 0.486 5.409 99 2HG GLU 13 1HG GLU 13 12.562 1.105 4.697 100 H ARG 14 H ARG 14 11.000 3.598 1.635 101 HA ARG 14 HA ARG 14 8.408 4.681 1.320 102 1HB ARG 14 2HB ARG 14 9.474 6.258 -0.242 103 2HB ARG 14 1HB ARG 14 10.373 6.102 1.261 104 1HG ARG 14 2HG ARG 14 11.935 4.566 0.139 105 2HG ARG 14 1HG ARG 14 11.054 4.809 -1.371 106 1HD ARG 14 2HD ARG 14 12.358 7.009 0.222 107 2HD ARG 14 1HD ARG 14 13.102 6.205 -1.160 108 HE ARG 14 HE ARG 14 10.543 7.234 -1.836 109 1HH1 ARG 14 1HH1 ARG 14 13.846 8.185 -1.262 110 2HH1 ARG 14 2HH1 ARG 14 13.753 9.590 -2.270 111 1HH2 ARG 14 1HH2 ARG 14 10.412 9.084 -3.166 112 2HH2 ARG 14 2HH2 ARG 14 11.800 10.102 -3.350 113 H ASP 15 H ASP 15 10.395 2.617 -0.744 114 HA ASP 15 HA ASP 15 8.620 2.861 -2.972 115 1HB ASP 15 2HB ASP 15 11.010 1.157 -2.366 116 2HB ASP 15 1HB ASP 15 10.020 0.827 -3.781 117 H LYS 16 H LYS 16 9.397 0.051 -0.888 118 HA LYS 16 HA LYS 16 7.460 -1.644 -1.962 119 1HB LYS 16 2HB LYS 16 8.654 -1.644 0.808 120 2HB LYS 16 1HB LYS 16 7.723 -2.966 0.118 121 1HG LYS 16 2HG LYS 16 9.541 -2.759 -1.793 122 2HG LYS 16 1HG LYS 16 10.487 -2.075 -0.471 123 1HD LYS 16 2HD LYS 16 10.975 -4.364 -0.411 124 2HD LYS 16 1HD LYS 16 9.775 -4.137 0.863 125 1HE LYS 16 2HE LYS 16 8.917 -4.883 -1.900 126 2HE LYS 16 1HE LYS 16 9.528 -6.119 -0.802 127 1HZ LYS 16 1HZ LYS 16 7.154 -6.001 -0.636 128 2HZ LYS 16 2HZ LYS 16 7.199 -4.337 -0.342 129 3HZ LYS 16 3HZ LYS 16 7.820 -5.413 0.805 130 H VAL 17 H VAL 17 7.126 0.761 0.607 131 HA VAL 17 HA VAL 17 4.516 -0.247 1.338 132 HB VAL 17 HB VAL 17 5.879 2.282 2.257 133 1HG1 VAL 17 1HG1 VAL 17 3.525 2.447 2.607 134 2HG1 VAL 17 2HG1 VAL 17 4.269 2.064 4.160 135 3HG1 VAL 17 3HG1 VAL 17 3.446 0.803 3.239 136 1HG2 VAL 17 1HG2 VAL 17 7.162 0.271 2.827 137 2HG2 VAL 17 2HG2 VAL 17 5.725 -0.433 3.570 138 3HG2 VAL 17 3HG2 VAL 17 6.456 1.015 4.262 139 H ASN 18 H ASN 18 5.702 2.815 -0.105 140 HA ASN 18 HA ASN 18 3.202 3.988 -0.481 141 1HB ASN 18 2HB ASN 18 5.662 4.286 -2.205 142 2HB ASN 18 1HB ASN 18 4.262 5.343 -2.257 143 1HD2 ASN 18 1HD2 ASN 18 5.811 3.952 0.590 144 2HD2 ASN 18 2HD2 ASN 18 6.310 5.454 1.267 145 H VAL 19 H VAL 19 4.568 1.298 -2.045 146 HA VAL 19 HA VAL 19 2.903 1.587 -4.428 147 HB VAL 19 HB VAL 19 5.398 0.563 -4.164 148 1HG1 VAL 19 1HG1 VAL 19 5.371 -1.836 -4.360 149 2HG1 VAL 19 2HG1 VAL 19 3.613 -1.864 -4.241 150 3HG1 VAL 19 3HG1 VAL 19 4.585 -1.364 -2.855 151 1HG2 VAL 19 1HG2 VAL 19 3.252 0.055 -6.179 152 2HG2 VAL 19 2HG2 VAL 19 4.860 -0.639 -6.380 153 3HG2 VAL 19 3HG2 VAL 19 4.659 1.110 -6.286 154 H ASP 20 H ASP 20 3.250 -0.326 -1.520 155 HA ASP 20 HA ASP 20 1.221 -2.227 -2.106 156 1HB ASP 20 2HB ASP 20 3.067 -2.537 -0.424 157 2HB ASP 20 1HB ASP 20 2.235 -1.389 0.618 158 H LEU 21 H LEU 21 1.297 0.897 -0.483 159 HA LEU 21 HA LEU 21 -1.451 0.687 0.344 160 1HB LEU 21 2HB LEU 21 -1.179 2.967 1.166 161 2HB LEU 21 1HB LEU 21 0.103 1.920 1.739 162 HG LEU 21 HG LEU 21 1.379 2.907 -0.352 163 1HD1 LEU 21 1HD1 LEU 21 -0.291 4.242 -1.315 164 2HD1 LEU 21 2HD1 LEU 21 0.798 5.365 -0.496 165 3HD1 LEU 21 3HD1 LEU 21 -0.747 4.937 0.242 166 1HD2 LEU 21 1HD2 LEU 21 0.989 4.449 2.208 167 2HD2 LEU 21 2HD2 LEU 21 2.373 4.558 1.121 168 3HD2 LEU 21 3HD2 LEU 21 2.059 3.064 2.003 169 H ALA 22 H ALA 22 0.411 2.098 -2.262 170 HA ALA 22 HA ALA 22 -1.345 3.870 -3.383 171 1HB ALA 22 1HB ALA 22 0.376 1.848 -4.813 172 2HB ALA 22 2HB ALA 22 0.836 3.484 -4.346 173 3HB ALA 22 3HB ALA 22 -0.394 3.235 -5.583 174 H ALA 23 H ALA 23 -1.241 0.352 -3.998 175 HA ALA 23 HA ALA 23 -3.593 0.296 -5.567 176 1HB ALA 23 1HB ALA 23 -3.506 -2.205 -4.763 177 2HB ALA 23 2HB ALA 23 -1.911 -1.739 -4.168 178 3HB ALA 23 3HB ALA 23 -2.297 -1.585 -5.881 179 H SER 24 H SER 24 -2.908 -0.331 -2.161 180 HA SER 24 HA SER 24 -5.293 -1.271 -1.244 181 1HB SER 24 2HB SER 24 -3.558 0.762 0.159 182 2HB SER 24 1HB SER 24 -4.770 -0.267 0.924 183 HG SER 24 HG SER 24 -3.462 -1.929 0.792 184 H GLY 25 H GLY 25 -4.478 2.210 -1.145 185 1HA GLY 25 2HA GLY 25 -6.936 3.172 -0.391 186 2HA GLY 25 1HA GLY 25 -5.813 4.059 -1.408 187 H VAL 26 H VAL 26 -5.878 2.481 -3.715 188 HA VAL 26 HA VAL 26 -7.903 3.590 -5.165 189 HB VAL 26 HB VAL 26 -6.623 0.907 -5.686 190 1HG1 VAL 26 1HG1 VAL 26 -8.628 1.187 -7.031 191 2HG1 VAL 26 2HG1 VAL 26 -7.190 1.334 -8.041 192 3HG1 VAL 26 3HG1 VAL 26 -8.077 2.778 -7.554 193 1HG2 VAL 26 1HG2 VAL 26 -5.151 2.979 -5.379 194 2HG2 VAL 26 2HG2 VAL 26 -5.849 3.544 -6.897 195 3HG2 VAL 26 3HG2 VAL 26 -4.933 2.035 -6.853 196 H ALA 27 H ALA 27 -8.023 0.133 -4.166 197 HA ALA 27 HA ALA 27 -10.882 0.118 -4.733 198 1HB ALA 27 1HB ALA 27 -9.264 -1.730 -5.414 199 2HB ALA 27 2HB ALA 27 -10.807 -2.208 -4.709 200 3HB ALA 27 3HB ALA 27 -9.340 -2.245 -3.727 201 H TYR 28 H TYR 28 -8.801 -0.566 -1.929 202 HA TYR 28 HA TYR 28 -10.599 -1.442 -0.083 203 1HB TYR 28 2HB TYR 28 -8.005 -0.546 0.006 204 2HB TYR 28 1HB TYR 28 -8.844 0.602 1.046 205 HD1 TYR 28 1HD TYR 28 -8.542 0.087 3.275 206 HD2 TYR 28 2HD TYR 28 -9.111 -3.091 0.503 207 HE1 TYR 28 1HE TYR 28 -8.477 -1.531 5.125 208 HE2 TYR 28 2HE TYR 28 -9.046 -4.716 2.347 209 HH TYR 28 HH TYR 28 -9.244 -3.793 5.618 210 H LYS 29 H LYS 29 -10.428 1.795 -1.379 211 HA LYS 29 HA LYS 29 -12.087 2.832 0.751 212 1HB LYS 29 2HB LYS 29 -11.817 4.976 -0.244 213 2HB LYS 29 1HB LYS 29 -10.257 4.171 -0.322 214 1HG LYS 29 2HG LYS 29 -10.741 3.590 -2.684 215 2HG LYS 29 1HG LYS 29 -12.228 4.533 -2.571 216 1HD LYS 29 2HD LYS 29 -10.757 6.477 -1.846 217 2HD LYS 29 1HD LYS 29 -9.388 5.500 -2.385 218 1HE LYS 29 2HE LYS 29 -11.722 6.414 -4.061 219 2HE LYS 29 1HE LYS 29 -10.067 7.016 -4.145 220 1HZ LYS 29 1HZ LYS 29 -10.939 4.247 -4.772 221 2HZ LYS 29 2HZ LYS 29 -9.347 4.814 -4.845 222 3HZ LYS 29 3HZ LYS 29 -10.512 5.431 -5.904 223 H GLU 30 H GLU 30 -12.477 2.430 -2.762 224 HA GLU 30 HA GLU 30 -14.994 3.319 -3.121 225 1HB GLU 30 2HB GLU 30 -13.343 1.882 -4.683 226 2HB GLU 30 1HB GLU 30 -14.510 0.629 -4.299 227 1HG GLU 30 2HG GLU 30 -15.145 3.294 -5.533 228 2HG GLU 30 1HG GLU 30 -15.033 1.761 -6.395 229 H ARG 31 H ARG 31 -14.056 0.419 -1.486 230 HA ARG 31 HA ARG 31 -16.811 0.063 -0.544 231 1HB ARG 31 2HB ARG 31 -14.669 -2.061 -0.906 232 2HB ARG 31 1HB ARG 31 -16.258 -2.332 -0.210 233 1HG ARG 31 2HG ARG 31 -16.499 -3.110 -2.368 234 2HG ARG 31 1HG ARG 31 -17.143 -1.470 -2.480 235 1HD ARG 31 2HD ARG 31 -15.022 -0.683 -3.371 236 2HD ARG 31 1HD ARG 31 -14.337 -2.299 -3.211 237 HE ARG 31 HE ARG 31 -16.661 -2.399 -4.806 238 1HH1 ARG 31 1HH1 ARG 31 -13.355 -1.299 -4.893 239 2HH1 ARG 31 2HH1 ARG 31 -13.207 -1.472 -6.610 240 1HH2 ARG 31 1HH2 ARG 31 -16.471 -2.634 -7.070 241 2HH2 ARG 31 2HH2 ARG 31 -14.976 -2.231 -7.846 242 H LEU 32 H LEU 32 -16.662 -1.015 1.739 243 HA LEU 32 HA LEU 32 -15.858 -1.176 3.850 244 1HB LEU 32 2HB LEU 32 -13.314 -0.162 2.584 245 2HB LEU 32 1HB LEU 32 -13.475 -0.521 4.283 246 HG LEU 32 HG LEU 32 -13.562 -2.827 3.911 247 1HD1 LEU 32 1HD1 LEU 32 -13.954 -2.279 0.975 248 2HD1 LEU 32 2HD1 LEU 32 -15.152 -2.953 2.083 249 3HD1 LEU 32 3HD1 LEU 32 -13.692 -3.870 1.693 250 1HD2 LEU 32 1HD2 LEU 32 -11.358 -2.266 3.718 251 2HD2 LEU 32 2HD2 LEU 32 -11.619 -1.319 2.251 252 3HD2 LEU 32 3HD2 LEU 32 -11.621 -3.083 2.176 253 H ASN 33 H ASN 33 -13.789 0.908 4.629 254 HA ASN 33 HA ASN 33 -15.342 3.364 4.349 255 1HB ASN 33 2HB ASN 33 -14.552 2.115 6.986 256 2HB ASN 33 1HB ASN 33 -15.075 3.787 6.814 257 1HD2 ASN 33 1HD2 ASN 33 -16.038 0.444 6.507 258 2HD2 ASN 33 2HD2 ASN 33 -17.740 0.725 6.597 259 H ILE 34 H ILE 34 -13.471 3.770 2.907 260 HA ILE 34 HA ILE 34 -11.248 4.823 4.536 261 HB ILE 34 HB ILE 34 -10.908 3.223 2.010 262 1HG1 ILE 34 2HG1 ILE 34 -9.192 2.090 3.590 263 2HG1 ILE 34 1HG1 ILE 34 -10.102 2.880 4.876 264 1HG2 ILE 34 1HG2 ILE 34 -8.532 3.772 2.112 265 2HG2 ILE 34 2HG2 ILE 34 -8.856 4.884 3.443 266 3HG2 ILE 34 3HG2 ILE 34 -9.526 5.205 1.844 267 1HD1 ILE 34 1HD1 ILE 34 -10.882 0.652 3.091 268 2HD1 ILE 34 2HD1 ILE 34 -12.136 1.769 3.624 269 3HD1 ILE 34 3HD1 ILE 34 -11.178 0.887 4.814 270 HA PRO 35 HA PRO 35 -12.245 8.280 1.899 271 1HB PRO 35 2HB PRO 35 -11.676 10.193 3.604 272 2HB PRO 35 1HB PRO 35 -12.966 9.048 4.007 273 1HG PRO 35 2HG PRO 35 -10.123 9.106 4.966 274 2HG PRO 35 1HG PRO 35 -11.611 8.831 5.898 275 1HD PRO 35 2HD PRO 35 -9.937 6.844 4.859 276 2HD PRO 35 1HD PRO 35 -11.610 6.605 5.405 277 H VAL 36 H VAL 36 -10.448 7.726 0.397 278 HA VAL 36 HA VAL 36 -8.238 9.608 0.712 279 HB VAL 36 HB VAL 36 -6.561 7.960 0.040 280 1HG1 VAL 36 1HG1 VAL 36 -6.616 6.584 2.171 281 2HG1 VAL 36 2HG1 VAL 36 -8.151 7.381 2.529 282 3HG1 VAL 36 3HG1 VAL 36 -6.678 8.336 2.365 283 1HG2 VAL 36 1HG2 VAL 36 -8.027 6.436 -1.174 284 2HG2 VAL 36 2HG2 VAL 36 -8.791 5.955 0.341 285 3HG2 VAL 36 3HG2 VAL 36 -7.092 5.576 0.051 286 H ILE 37 H ILE 37 -6.986 9.920 -1.275 287 HA ILE 37 HA ILE 37 -8.762 9.822 -3.595 288 HB ILE 37 HB ILE 37 -6.157 11.321 -3.313 289 1HG1 ILE 37 2HG1 ILE 37 -7.758 12.091 -1.619 290 2HG1 ILE 37 1HG1 ILE 37 -7.524 13.314 -2.863 291 1HG2 ILE 37 1HG2 ILE 37 -8.430 11.577 -5.275 292 2HG2 ILE 37 2HG2 ILE 37 -6.816 10.948 -5.609 293 3HG2 ILE 37 3HG2 ILE 37 -7.032 12.648 -5.191 294 1HD1 ILE 37 1HD1 ILE 37 -9.860 11.427 -2.671 295 2HD1 ILE 37 2HD1 ILE 37 -9.631 12.670 -3.900 296 3HD1 ILE 37 3HD1 ILE 37 -9.860 13.129 -2.213 297 H ALA 38 H ALA 38 -8.421 8.491 -5.243 298 HA ALA 38 HA ALA 38 -6.408 6.505 -5.161 299 1HB ALA 38 1HB ALA 38 -7.294 5.775 -7.307 300 2HB ALA 38 2HB ALA 38 -8.208 7.275 -7.452 301 3HB ALA 38 3HB ALA 38 -8.598 6.125 -6.173 302 H GLU 39 H GLU 39 -6.864 9.248 -7.416 303 HA GLU 39 HA GLU 39 -4.552 8.800 -8.913 304 1HB GLU 39 2HB GLU 39 -4.708 11.296 -9.427 305 2HB GLU 39 1HB GLU 39 -6.091 10.295 -9.845 306 1HG GLU 39 2HG GLU 39 -7.247 11.036 -7.833 307 2HG GLU 39 1HG GLU 39 -5.855 12.025 -7.393 308 H GLN 40 H GLN 40 -4.890 10.000 -5.722 309 HA GLN 40 HA GLN 40 -2.624 11.604 -5.460 310 1HB GLN 40 2HB GLN 40 -4.572 10.666 -3.764 311 2HB GLN 40 1HB GLN 40 -3.136 9.828 -3.185 312 1HG GLN 40 2HG GLN 40 -1.993 12.031 -3.033 313 2HG GLN 40 1HG GLN 40 -3.528 12.796 -3.446 314 1HE2 GLN 40 1HE2 GLN 40 -5.200 12.793 -1.952 315 2HE2 GLN 40 2HE2 GLN 40 -4.951 12.415 -0.285 316 H VAL 41 H VAL 41 -2.999 8.117 -5.456 317 HA VAL 41 HA VAL 41 -0.189 7.729 -4.810 318 HB VAL 41 HB VAL 41 -0.639 5.451 -4.521 319 1HG1 VAL 41 1HG1 VAL 41 -1.643 6.842 -2.783 320 2HG1 VAL 41 2HG1 VAL 41 -2.572 5.364 -3.038 321 3HG1 VAL 41 3HG1 VAL 41 -3.153 6.895 -3.695 322 1HG2 VAL 41 1HG2 VAL 41 -3.130 5.903 -6.144 323 2HG2 VAL 41 2HG2 VAL 41 -2.806 4.421 -5.251 324 3HG2 VAL 41 3HG2 VAL 41 -1.733 4.913 -6.560 325 H ALA 42 H ALA 42 -2.243 7.957 -7.522 326 HA ALA 42 HA ALA 42 -0.771 6.312 -9.313 327 1HB ALA 42 1HB ALA 42 -2.691 8.546 -9.932 328 2HB ALA 42 2HB ALA 42 -3.120 6.853 -9.680 329 3HB ALA 42 3HB ALA 42 -2.126 7.316 -11.062 330 H ARG 43 H ARG 43 -0.259 9.507 -8.122 331 HA ARG 43 HA ARG 43 1.176 10.526 -10.361 332 1HB ARG 43 2HB ARG 43 1.995 12.250 -8.770 333 2HB ARG 43 1HB ARG 43 0.248 12.071 -8.771 334 1HG ARG 43 2HG ARG 43 0.683 12.214 -6.530 335 2HG ARG 43 1HG ARG 43 0.691 10.466 -6.768 336 1HD ARG 43 2HD ARG 43 2.570 11.253 -5.375 337 2HD ARG 43 1HD ARG 43 3.104 10.446 -6.849 338 HE ARG 43 HE ARG 43 2.916 13.290 -7.141 339 1HH1 ARG 43 1HH1 ARG 43 4.936 10.684 -6.012 340 2HH1 ARG 43 2HH1 ARG 43 6.410 11.576 -6.193 341 1HH2 ARG 43 1HH2 ARG 43 4.853 14.472 -7.382 342 2HH2 ARG 43 2HH2 ARG 43 6.362 13.727 -6.972 343 H GLU 44 H GLU 44 1.921 8.111 -8.228 344 HA GLU 44 HA GLU 44 4.803 8.451 -8.717 345 1HB GLU 44 2HB GLU 44 4.870 6.846 -6.577 346 2HB GLU 44 1HB GLU 44 4.918 8.600 -6.465 347 1HG GLU 44 2HG GLU 44 2.571 8.687 -5.996 348 2HG GLU 44 1HG GLU 44 2.415 6.959 -6.282 349 H GLN 45 H GLN 45 2.741 5.802 -7.568 350 HA GLN 45 HA GLN 45 2.743 3.572 -8.103 351 1HB GLN 45 2HB GLN 45 1.378 4.570 -9.913 352 2HB GLN 45 1HB GLN 45 2.826 4.719 -10.899 353 1HG GLN 45 2HG GLN 45 1.490 2.786 -11.539 354 2HG GLN 45 1HG GLN 45 3.079 2.310 -10.942 355 1HE2 GLN 45 1HE2 GLN 45 3.246 1.241 -8.978 356 2HE2 GLN 45 2HE2 GLN 45 1.882 0.523 -8.198 357 HA PRO 46 HA PRO 46 7.444 3.644 -8.581 358 1HB PRO 46 2HB PRO 46 6.891 1.436 -6.646 359 2HB PRO 46 1HB PRO 46 8.199 2.626 -6.652 360 1HG PRO 46 2HG PRO 46 6.144 2.901 -4.991 361 2HG PRO 46 1HG PRO 46 6.847 4.313 -5.803 362 1HD PRO 46 2HD PRO 46 4.293 2.882 -6.361 363 2HD PRO 46 1HD PRO 46 4.681 4.607 -6.517 364 H GLU 47 H GLU 47 8.455 2.463 -10.065 365 HA GLU 47 HA GLU 47 7.080 0.218 -11.270 366 1HB GLU 47 2HB GLU 47 8.025 1.078 -13.098 367 2HB GLU 47 1HB GLU 47 8.969 2.192 -12.123 368 1HG GLU 47 2HG GLU 47 10.756 0.616 -11.935 369 2HG GLU 47 1HG GLU 47 9.793 -0.639 -12.714 370 H ASN 48 H ASN 48 10.241 0.802 -9.744 371 HA ASN 48 HA ASN 48 11.237 -1.784 -9.843 372 1HB ASN 48 2HB ASN 48 12.339 0.439 -9.063 373 2HB ASN 48 1HB ASN 48 11.732 -0.004 -7.471 374 1HD2 ASN 48 1HD2 ASN 48 14.465 0.278 -8.375 375 2HD2 ASN 48 2HD2 ASN 48 15.231 -1.247 -8.105 376 H LEU 49 H LEU 49 8.465 -0.824 -8.288 377 HA LEU 49 HA LEU 49 8.476 -3.207 -6.605 378 1HB LEU 49 2HB LEU 49 8.222 -0.417 -5.700 379 2HB LEU 49 1HB LEU 49 6.991 -1.499 -5.082 380 HG LEU 49 HG LEU 49 8.728 -1.417 -3.462 381 1HD1 LEU 49 1HD1 LEU 49 7.782 -3.625 -3.833 382 2HD1 LEU 49 2HD1 LEU 49 9.481 -3.741 -3.380 383 3HD1 LEU 49 3HD1 LEU 49 9.000 -3.955 -5.063 384 1HD2 LEU 49 1HD2 LEU 49 11.018 -1.660 -3.874 385 2HD2 LEU 49 2HD2 LEU 49 10.447 -0.602 -5.165 386 3HD2 LEU 49 3HD2 LEU 49 10.751 -2.308 -5.490 387 H ARG 50 H ARG 50 7.225 -2.116 -9.188 388 HA ARG 50 HA ARG 50 4.454 -1.810 -8.752 389 1HB ARG 50 2HB ARG 50 4.201 -2.062 -11.119 390 2HB ARG 50 1HB ARG 50 5.683 -1.159 -10.839 391 1HG ARG 50 2HG ARG 50 7.006 -3.148 -11.243 392 2HG ARG 50 1HG ARG 50 5.538 -4.107 -11.435 393 1HD ARG 50 2HD ARG 50 4.906 -2.662 -13.349 394 2HD ARG 50 1HD ARG 50 6.453 -1.833 -13.189 395 HE ARG 50 HE ARG 50 7.334 -4.274 -13.499 396 1HH1 ARG 50 1HH1 ARG 50 4.653 -2.752 -15.124 397 2HH1 ARG 50 2HH1 ARG 50 4.832 -3.688 -16.571 398 1HH2 ARG 50 1HH2 ARG 50 7.576 -5.510 -15.400 399 2HH2 ARG 50 2HH2 ARG 50 6.492 -5.256 -16.727 400 H THR 51 H THR 51 6.536 -4.540 -8.819 401 HA THR 51 HA THR 51 4.614 -6.534 -9.462 402 HB THR 51 HB THR 51 7.174 -6.817 -7.871 403 HG1 THR 51 1HG THR 51 6.603 -6.861 -10.645 404 1HG2 THR 51 1HG2 THR 51 7.060 -9.177 -8.607 405 2HG2 THR 51 2HG2 THR 51 5.466 -8.860 -9.292 406 3HG2 THR 51 3HG2 THR 51 5.721 -8.727 -7.552 407 H TYR 52 H TYR 52 5.862 -5.199 -6.437 408 HA TYR 52 HA TYR 52 4.421 -6.859 -4.685 409 1HB TYR 52 2HB TYR 52 6.420 -5.402 -4.165 410 2HB TYR 52 1HB TYR 52 5.336 -4.017 -4.192 411 HD1 TYR 52 1HD TYR 52 5.198 -3.251 -2.012 412 HD2 TYR 52 2HD TYR 52 4.891 -7.429 -2.743 413 HE1 TYR 52 1HE TYR 52 4.650 -3.619 0.349 414 HE2 TYR 52 2HE TYR 52 4.340 -7.807 -0.386 415 HH TYR 52 HH TYR 52 4.664 -6.692 1.786 416 H PHE 53 H PHE 53 3.764 -3.645 -5.997 417 HA PHE 53 HA PHE 53 1.414 -3.058 -4.686 418 1HB PHE 53 2HB PHE 53 2.066 -1.238 -5.823 419 2HB PHE 53 1HB PHE 53 2.728 -2.161 -7.163 420 HD1 PHE 53 1HD PHE 53 -0.022 -0.176 -5.967 421 HD2 PHE 53 2HD PHE 53 1.148 -2.992 -8.938 422 HE1 PHE 53 1HE PHE 53 -1.961 0.468 -7.337 423 HE2 PHE 53 2HE PHE 53 -0.789 -2.346 -10.321 424 HZ PHE 53 HZ PHE 53 -2.286 -0.509 -9.546 425 H MET 54 H MET 54 1.777 -4.936 -7.706 426 HA MET 54 HA MET 54 -1.041 -5.227 -8.046 427 1HB MET 54 2HB MET 54 -0.450 -6.948 -9.728 428 2HB MET 54 1HB MET 54 0.384 -5.423 -9.978 429 1HG MET 54 2HG MET 54 2.399 -6.343 -8.985 430 2HG MET 54 1HG MET 54 1.565 -7.865 -8.679 431 1HE MET 54 1HE MET 54 1.247 -5.560 -11.882 432 2HE MET 54 2HE MET 54 2.527 -6.236 -12.889 433 3HE MET 54 3HE MET 54 2.932 -5.405 -11.387 434 H GLU 55 H GLU 55 1.479 -7.214 -6.588 435 HA GLU 55 HA GLU 55 0.031 -9.525 -6.093 436 1HB GLU 55 2HB GLU 55 2.205 -8.215 -4.450 437 2HB GLU 55 1HB GLU 55 1.598 -9.837 -4.150 438 1HG GLU 55 2HG GLU 55 2.779 -8.966 -6.764 439 2HG GLU 55 1HG GLU 55 3.720 -9.706 -5.467 440 H ARG 56 H ARG 56 0.565 -6.780 -3.896 441 HA ARG 56 HA ARG 56 -1.324 -7.602 -1.976 442 1HB ARG 56 2HB ARG 56 0.442 -5.947 -1.505 443 2HB ARG 56 1HB ARG 56 -0.317 -4.818 -2.618 444 1HG ARG 56 2HG ARG 56 -1.038 -4.056 -0.571 445 2HG ARG 56 1HG ARG 56 -2.386 -5.071 -1.084 446 1HD ARG 56 2HD ARG 56 -0.151 -6.064 0.671 447 2HD ARG 56 1HD ARG 56 -1.627 -5.347 1.311 448 HE ARG 56 HE ARG 56 -2.256 -7.437 -0.486 449 1HH1 ARG 56 1HH1 ARG 56 -1.014 -6.869 2.722 450 2HH1 ARG 56 2HH1 ARG 56 -1.574 -8.384 3.345 451 1HH2 ARG 56 1HH2 ARG 56 -2.998 -9.433 0.332 452 2HH2 ARG 56 2HH2 ARG 56 -2.699 -9.842 1.988 453 H LEU 57 H LEU 57 -1.498 -5.650 -4.884 454 HA LEU 57 HA LEU 57 -3.982 -4.488 -4.623 455 1HB LEU 57 2HB LEU 57 -2.622 -3.878 -6.466 456 2HB LEU 57 1HB LEU 57 -2.566 -5.525 -7.063 457 HG LEU 57 HG LEU 57 -5.020 -5.367 -7.529 458 1HD1 LEU 57 1HD1 LEU 57 -4.568 -2.453 -6.903 459 2HD1 LEU 57 2HD1 LEU 57 -5.580 -3.573 -5.993 460 3HD1 LEU 57 3HD1 LEU 57 -6.018 -3.130 -7.642 461 1HD2 LEU 57 1HD2 LEU 57 -3.355 -5.073 -9.291 462 2HD2 LEU 57 2HD2 LEU 57 -3.257 -3.351 -8.918 463 3HD2 LEU 57 3HD2 LEU 57 -4.754 -4.031 -9.556 464 H ARG 58 H ARG 58 -3.273 -7.701 -6.035 465 HA ARG 58 HA ARG 58 -6.028 -8.261 -6.497 466 1HB ARG 58 2HB ARG 58 -5.344 -10.346 -7.307 467 2HB ARG 58 1HB ARG 58 -4.008 -9.273 -7.696 468 1HG ARG 58 2HG ARG 58 -2.751 -10.110 -5.797 469 2HG ARG 58 1HG ARG 58 -4.107 -11.138 -5.333 470 1HD ARG 58 2HD ARG 58 -2.535 -12.500 -6.493 471 2HD ARG 58 1HD ARG 58 -3.920 -12.253 -7.552 472 HE ARG 58 HE ARG 58 -2.308 -10.318 -8.390 473 1HH1 ARG 58 1HH1 ARG 58 -1.622 -13.654 -7.655 474 2HH1 ARG 58 2HH1 ARG 58 -0.345 -13.781 -8.817 475 1HH2 ARG 58 1HH2 ARG 58 -0.629 -10.479 -9.925 476 2HH2 ARG 58 2HH2 ARG 58 0.218 -11.978 -10.109 477 H HIS 59 H HIS 59 -3.757 -9.087 -3.909 478 HA HIS 59 HA HIS 59 -5.608 -10.876 -2.626 479 1HB HIS 59 2HB HIS 59 -2.973 -9.686 -1.796 480 2HB HIS 59 1HB HIS 59 -3.944 -10.621 -0.665 481 HD1 HIS 59 1HD HIS 59 -4.139 -13.165 -1.089 482 HD2 HIS 59 2HD HIS 59 -1.715 -11.171 -3.810 483 HE1 HIS 59 1HE HIS 59 -2.881 -14.965 -2.312 484 HE2 HIS 59 2HE HIS 59 -1.515 -13.739 -4.038 485 H TYR 60 H TYR 60 -4.430 -7.631 -1.730 486 HA TYR 60 HA TYR 60 -6.119 -7.303 0.459 487 1HB TYR 60 2HB TYR 60 -5.184 -5.276 0.603 488 2HB TYR 60 1HB TYR 60 -4.199 -5.774 -0.767 489 HD1 TYR 60 1HD TYR 60 -4.539 -4.836 -2.924 490 HD2 TYR 60 2HD TYR 60 -7.139 -3.888 0.276 491 HE1 TYR 60 1HE TYR 60 -5.492 -3.025 -4.255 492 HE2 TYR 60 2HE TYR 60 -8.102 -2.075 -1.031 493 HH TYR 60 HH TYR 60 -7.503 -0.642 -2.910 494 H ARG 61 H ARG 61 -6.655 -6.788 -2.966 495 HA ARG 61 HA ARG 61 -9.228 -5.693 -2.823 496 1HB ARG 61 2HB ARG 61 -7.905 -5.810 -4.913 497 2HB ARG 61 1HB ARG 61 -8.156 -7.550 -4.961 498 1HG ARG 61 2HG ARG 61 -10.552 -7.212 -5.204 499 2HG ARG 61 1HG ARG 61 -10.326 -5.465 -5.112 500 1HD ARG 61 2HD ARG 61 -8.914 -5.575 -7.135 501 2HD ARG 61 1HD ARG 61 -9.238 -7.306 -7.240 502 HE ARG 61 HE ARG 61 -11.686 -5.953 -7.156 503 1HH1 ARG 61 1HH1 ARG 61 -8.943 -6.330 -9.275 504 2HH1 ARG 61 2HH1 ARG 61 -9.866 -6.080 -10.719 505 1HH2 ARG 61 1HH2 ARG 61 -12.903 -5.625 -9.051 506 2HH2 ARG 61 2HH2 ARG 61 -12.116 -5.682 -10.592 507 H GLN 62 H GLN 62 -8.077 -8.917 -2.417 508 HA GLN 62 HA GLN 62 -10.496 -10.349 -2.743 509 1HB GLN 62 2HB GLN 62 -8.199 -10.991 -0.875 510 2HB GLN 62 1HB GLN 62 -9.491 -12.098 -1.320 511 1HG GLN 62 2HG GLN 62 -8.790 -11.869 -3.673 512 2HG GLN 62 1HG GLN 62 -7.415 -10.919 -3.131 513 1HE2 GLN 62 1HE2 GLN 62 -5.926 -12.371 -3.922 514 2HE2 GLN 62 2HE2 GLN 62 -5.638 -13.905 -3.185 515 H LEU 63 H LEU 63 -9.187 -8.379 -0.225 516 HA LEU 63 HA LEU 63 -11.206 -9.123 1.691 517 1HB LEU 63 2HB LEU 63 -9.066 -7.012 1.667 518 2HB LEU 63 1HB LEU 63 -10.283 -7.088 2.925 519 HG LEU 63 HG LEU 63 -9.512 -9.434 3.412 520 1HD1 LEU 63 1HD1 LEU 63 -7.254 -8.633 1.584 521 2HD1 LEU 63 2HD1 LEU 63 -8.420 -9.928 1.310 522 3HD1 LEU 63 3HD1 LEU 63 -7.264 -10.047 2.636 523 1HD2 LEU 63 1HD2 LEU 63 -8.857 -7.503 4.774 524 2HD2 LEU 63 2HD2 LEU 63 -7.462 -7.245 3.724 525 3HD2 LEU 63 3HD2 LEU 63 -7.578 -8.715 4.692 526 H SER 64 H SER 64 -10.636 -6.589 -0.668 527 HA SER 64 HA SER 64 -12.522 -4.718 0.093 528 1HB SER 64 2HB SER 64 -11.031 -4.307 -1.785 529 2HB SER 64 1HB SER 64 -11.784 -5.607 -2.708 530 HG SER 64 HG SER 64 -12.558 -3.032 -2.427 531 H LEU 65 H LEU 65 -12.936 -7.852 -1.337 532 HA LEU 65 HA LEU 65 -15.780 -7.468 -1.706 533 1HB LEU 65 2HB LEU 65 -13.884 -9.701 -2.364 534 2HB LEU 65 1HB LEU 65 -15.622 -9.885 -2.513 535 HG LEU 65 HG LEU 65 -15.640 -7.957 -4.069 536 1HD1 LEU 65 1HD1 LEU 65 -12.658 -8.201 -3.889 537 2HD1 LEU 65 2HD1 LEU 65 -13.646 -6.843 -3.346 538 3HD1 LEU 65 3HD1 LEU 65 -13.538 -7.225 -5.066 539 1HD2 LEU 65 1HD2 LEU 65 -13.882 -10.271 -4.863 540 2HD2 LEU 65 2HD2 LEU 65 -14.703 -9.179 -5.979 541 3HD2 LEU 65 3HD2 LEU 65 -15.643 -10.234 -4.925 542 H GLN 66 H GLN 66 -13.659 -9.802 0.025 543 HA GLN 66 HA GLN 66 -15.722 -11.059 1.437 544 1HB GLN 66 2HB GLN 66 -14.097 -12.211 2.588 545 2HB GLN 66 1HB GLN 66 -13.202 -11.687 1.170 546 1HG GLN 66 2HG GLN 66 -11.738 -11.216 2.876 547 2HG GLN 66 1HG GLN 66 -12.544 -9.668 2.633 548 1HE2 GLN 66 1HE2 GLN 66 -12.274 -8.873 4.662 549 2HE2 GLN 66 2HE2 GLN 66 -13.029 -9.547 6.065 550 H LEU 67 H LEU 67 -13.734 -8.294 2.444 551 HA LEU 67 HA LEU 67 -14.397 -7.973 5.045 552 1HB LEU 67 2HB LEU 67 -13.924 -5.983 2.871 553 2HB LEU 67 1HB LEU 67 -14.316 -5.432 4.487 554 HG LEU 67 HG LEU 67 -12.015 -7.284 3.874 555 1HD1 LEU 67 1HD1 LEU 67 -11.982 -4.310 4.308 556 2HD1 LEU 67 2HD1 LEU 67 -11.681 -5.135 2.778 557 3HD1 LEU 67 3HD1 LEU 67 -10.570 -5.352 4.131 558 1HD2 LEU 67 1HD2 LEU 67 -12.791 -7.442 6.156 559 2HD2 LEU 67 2HD2 LEU 67 -12.746 -5.684 6.319 560 3HD2 LEU 67 3HD2 LEU 67 -11.247 -6.588 6.105 561 HA PRO 68 HA PRO 68 -18.609 -7.012 5.732 562 1HB PRO 68 2HB PRO 68 -18.616 -4.983 7.478 563 2HB PRO 68 1HB PRO 68 -17.967 -6.577 7.900 564 1HG PRO 68 2HG PRO 68 -16.466 -4.172 6.871 565 2HG PRO 68 1HG PRO 68 -16.163 -5.104 8.362 566 1HD PRO 68 2HD PRO 68 -14.772 -5.628 6.173 567 2HD PRO 68 1HD PRO 68 -15.383 -6.967 7.168 568 H LYS 69 H LYS 69 -18.199 -3.690 6.375 569 HA LYS 69 HA LYS 69 -20.218 -2.832 4.710 570 1HB LYS 69 2HB LYS 69 -17.898 -1.086 5.510 571 2HB LYS 69 1HB LYS 69 -19.571 -0.614 5.242 572 1HG LYS 69 2HG LYS 69 -20.029 -2.289 7.211 573 2HG LYS 69 1HG LYS 69 -18.335 -1.967 7.585 574 1HD LYS 69 2HD LYS 69 -19.455 -0.359 8.829 575 2HD LYS 69 1HD LYS 69 -19.008 0.522 7.368 576 1HE LYS 69 2HE LYS 69 -21.260 0.051 6.450 577 2HE LYS 69 1HE LYS 69 -21.691 -0.707 7.983 578 1HZ LYS 69 1HZ LYS 69 -20.976 2.138 7.538 579 2HZ LYS 69 2HZ LYS 69 -21.174 1.445 9.067 580 3HZ LYS 69 3HZ LYS 69 -22.484 1.522 8.001 581 H GLY 70 H GLY 70 -20.291 -1.663 2.775 582 1HA GLY 70 2HA GLY 70 -19.603 -1.009 0.662 583 2HA GLY 70 1HA GLY 70 -17.951 -1.399 1.120 584 H SER 71 H SER 71 -19.446 -4.033 2.014 585 HA SER 71 HA SER 71 -19.421 -5.321 -0.628 586 1HB SER 71 2HB SER 71 -18.163 -6.322 1.934 587 2HB SER 71 1HB SER 71 -18.352 -7.297 0.477 588 HG SER 71 HG SER 71 -17.217 -5.200 -0.409 589 H ASP 72 H ASP 72 -19.844 -7.913 0.869 590 HA ASP 72 HA ASP 72 -22.603 -8.099 0.637 591 1HB ASP 72 2HB ASP 72 -20.717 -9.771 2.308 592 2HB ASP 72 1HB ASP 72 -22.381 -10.212 1.937 593 HA PRO 73 HA PRO 73 -24.061 -6.243 4.395 594 1HB PRO 73 2HB PRO 73 -26.580 -7.030 4.398 595 2HB PRO 73 1HB PRO 73 -25.975 -5.991 3.097 596 1HG PRO 73 2HG PRO 73 -26.229 -8.962 3.148 597 2HG PRO 73 1HG PRO 73 -26.880 -7.846 1.931 598 1HD PRO 73 2HD PRO 73 -24.552 -9.154 1.565 599 2HD PRO 73 1HD PRO 73 -24.776 -7.487 0.994 600 H ALA 74 H ALA 74 -24.769 -9.662 3.899 601 HA ALA 74 HA ALA 74 -24.948 -10.121 6.768 602 1HB ALA 74 1HB ALA 74 -25.594 -12.396 6.155 603 2HB ALA 74 2HB ALA 74 -25.271 -12.037 4.459 604 3HB ALA 74 3HB ALA 74 -26.575 -11.203 5.303 605 H TYR 75 H TYR 75 -22.425 -9.260 5.799 606 HA TYR 75 HA TYR 75 -20.536 -11.155 5.211 607 1HB TYR 75 2HB TYR 75 -19.762 -8.953 5.237 608 2HB TYR 75 1HB TYR 75 -20.426 -8.631 6.833 609 HD1 TYR 75 1HD TYR 75 -19.032 -8.714 8.702 610 HD2 TYR 75 2HD TYR 75 -17.792 -10.629 5.110 611 HE1 TYR 75 1HE TYR 75 -16.830 -9.156 9.704 612 HE2 TYR 75 2HE TYR 75 -15.588 -11.077 6.104 613 HH TYR 75 HH TYR 75 -14.959 -10.769 9.397 614 H GLN 76 H GLN 76 -19.452 -12.727 6.263 615 HA GLN 76 HA GLN 76 -20.586 -13.930 8.520 616 1HB GLN 76 2HB GLN 76 -17.864 -14.277 7.259 617 2HB GLN 76 1HB GLN 76 -18.476 -15.302 8.550 618 1HG GLN 76 2HG GLN 76 -18.832 -16.445 6.508 619 2HG GLN 76 1HG GLN 76 -20.404 -15.878 7.071 620 1HE2 GLN 76 1HE2 GLN 76 -21.468 -14.267 5.936 621 2HE2 GLN 76 2HE2 GLN 76 -20.992 -13.784 4.347 622 H LYS 77 H LYS 77 -20.653 -13.038 10.464 623 HA LYS 77 HA LYS 77 -18.823 -11.118 11.433 624 1HB LYS 77 2HB LYS 77 -19.990 -11.436 13.594 625 2HB LYS 77 1HB LYS 77 -21.100 -11.203 12.252 626 1HG LYS 77 2HG LYS 77 -20.995 -13.872 12.253 627 2HG LYS 77 1HG LYS 77 -20.653 -13.571 13.957 628 1HD LYS 77 2HD LYS 77 -22.686 -12.093 14.000 629 2HD LYS 77 1HD LYS 77 -23.060 -12.677 12.379 630 1HE LYS 77 2HE LYS 77 -22.798 -14.361 14.865 631 2HE LYS 77 1HE LYS 77 -24.303 -13.924 14.060 632 1HZ LYS 77 1HZ LYS 77 -23.568 -15.147 12.108 633 2HZ LYS 77 2HZ LYS 77 -23.604 -16.154 13.466 634 3HZ LYS 77 3HZ LYS 77 -22.126 -15.569 12.885 635 H ASP 78 H ASP 78 -17.266 -11.283 13.102 636 HA ASP 78 HA ASP 78 -15.983 -13.915 13.206 637 1HB ASP 78 2HB ASP 78 -14.010 -12.613 14.078 638 2HB ASP 78 1HB ASP 78 -14.502 -12.210 12.437 639 H ASP 79 H ASP 79 -16.508 -11.181 15.453 640 HA ASP 79 HA ASP 79 -17.209 -13.100 17.539 641 1HB ASP 79 2HB ASP 79 -15.031 -11.023 17.843 642 2HB ASP 79 1HB ASP 79 -15.696 -11.984 19.161 643 H ALA 80 H ALA 80 -17.246 -9.879 16.243 644 HA ALA 80 HA ALA 80 -18.634 -8.626 18.379 645 1HB ALA 80 1HB ALA 80 -17.370 -7.382 16.671 646 2HB ALA 80 2HB ALA 80 -19.032 -6.811 16.827 647 3HB ALA 80 3HB ALA 80 -18.577 -7.839 15.468 648 H VAL 81 H VAL 81 -19.592 -10.929 16.135 649 HA VAL 81 HA VAL 81 -21.581 -11.722 15.370 650 HB VAL 81 HB VAL 81 -22.494 -10.758 18.078 651 1HG1 VAL 81 1HG1 VAL 81 -24.174 -12.536 17.916 652 2HG1 VAL 81 2HG1 VAL 81 -23.617 -12.910 16.284 653 3HG1 VAL 81 3HG1 VAL 81 -24.365 -11.350 16.625 654 1HG2 VAL 81 1HG2 VAL 81 -20.528 -12.159 18.266 655 2HG2 VAL 81 2HG2 VAL 81 -21.273 -13.383 17.239 656 3HG2 VAL 81 3HG2 VAL 81 -21.950 -13.036 18.831 657 H LYS 82 H LYS 82 -21.602 -9.924 13.789 658 HA LYS 82 HA LYS 82 -24.052 -8.351 14.096 659 1HB LYS 82 2HB LYS 82 -21.434 -7.235 13.073 660 2HB LYS 82 1HB LYS 82 -22.971 -6.382 13.089 661 1HG LYS 82 2HG LYS 82 -21.477 -7.341 15.520 662 2HG LYS 82 1HG LYS 82 -21.524 -5.683 14.923 663 1HD LYS 82 2HD LYS 82 -23.956 -7.258 15.748 664 2HD LYS 82 1HD LYS 82 -23.092 -6.147 16.813 665 1HE LYS 82 2HE LYS 82 -23.564 -4.300 15.313 666 2HE LYS 82 1HE LYS 82 -24.346 -5.393 14.172 667 1HZ LYS 82 1HZ LYS 82 -25.274 -4.844 16.941 668 2HZ LYS 82 2HZ LYS 82 -26.034 -5.866 15.827 669 3HZ LYS 82 3HZ LYS 82 -25.957 -4.202 15.533 670 H LYS 83 H LYS 83 -25.273 -9.361 12.600 671 HA LYS 83 HA LYS 83 -24.134 -9.680 9.904 672 1HB LYS 83 2HB LYS 83 -25.980 -11.400 9.607 673 2HB LYS 83 1HB LYS 83 -24.669 -11.840 10.689 674 1HG LYS 83 2HG LYS 83 -26.098 -11.157 12.605 675 2HG LYS 83 1HG LYS 83 -27.420 -10.900 11.466 676 1HD LYS 83 2HD LYS 83 -25.968 -13.524 11.659 677 2HD LYS 83 1HD LYS 83 -27.343 -13.140 12.693 678 1HE LYS 83 2HE LYS 83 -28.211 -14.347 10.854 679 2HE LYS 83 1HE LYS 83 -28.642 -12.658 10.586 680 1HZ LYS 83 1HZ LYS 83 -26.273 -13.952 9.359 681 2HZ LYS 83 2HZ LYS 83 -26.931 -12.441 8.979 682 3HZ LYS 83 3HZ LYS 83 -27.780 -13.852 8.597 Start of MODEL 3 1 1H MET 1 1HT MET 1 -6.266 12.026 2.898 2 2H MET 1 2HT MET 1 -6.598 13.615 2.420 3 3H MET 1 3HT MET 1 -7.231 13.021 3.871 4 HA MET 1 HA MET 1 -5.367 14.487 4.275 5 1HB MET 1 2HB MET 1 -4.726 11.590 4.860 6 2HB MET 1 1HB MET 1 -4.094 12.986 5.724 7 1HG MET 1 2HG MET 1 -6.976 12.126 5.619 8 2HG MET 1 1HG MET 1 -5.871 11.893 6.971 9 1HE MET 1 1HE MET 1 -7.720 13.055 8.563 10 2HE MET 1 2HE MET 1 -8.762 13.280 7.157 11 3HE MET 1 3HE MET 1 -8.416 14.640 8.226 12 H TYR 2 H TYR 2 -3.018 14.731 4.231 13 HA TYR 2 HA TYR 2 -2.003 14.269 1.577 14 1HB TYR 2 2HB TYR 2 -1.660 16.317 3.241 15 2HB TYR 2 1HB TYR 2 -0.266 15.365 3.741 16 HD1 TYR 2 1HD TYR 2 -1.896 16.663 0.640 17 HD2 TYR 2 2HD TYR 2 1.734 15.647 2.612 18 HE1 TYR 2 1HE TYR 2 -0.621 17.537 -1.271 19 HE2 TYR 2 2HE TYR 2 3.021 16.519 0.705 20 HH TYR 2 HH TYR 2 2.674 16.935 -1.712 21 H ASP 3 H ASP 3 0.581 13.770 1.688 22 HA ASP 3 HA ASP 3 0.781 11.018 2.130 23 1HB ASP 3 2HB ASP 3 2.997 13.066 1.903 24 2HB ASP 3 1HB ASP 3 3.208 11.324 1.760 25 H TRP 4 H TRP 4 2.531 10.011 3.534 26 HA TRP 4 HA TRP 4 2.988 11.336 6.070 27 1HB TRP 4 2HB TRP 4 2.033 9.369 7.341 28 2HB TRP 4 1HB TRP 4 0.847 10.414 6.568 29 HD1 TRP 4 HD TRP 4 2.598 7.013 5.927 30 HE1 TRP 4 1HE TRP 4 0.965 5.519 4.611 31 HE3 TRP 4 3HE TRP 4 -1.202 10.365 5.244 32 HZ2 TRP 4 2HZ TRP 4 -1.596 5.733 3.443 33 HZ3 TRP 4 3HZ TRP 4 -3.209 9.641 4.020 34 HH2 TRP 4 HH TRP 4 -3.401 7.373 3.138 35 H ASN 5 H ASN 5 3.875 9.246 3.636 36 HA ASN 5 HA ASN 5 5.724 7.676 5.241 37 1HB ASN 5 2HB ASN 5 5.310 7.692 2.244 38 2HB ASN 5 1HB ASN 5 6.248 6.515 3.158 39 1HD2 ASN 5 1HD2 ASN 5 5.180 4.998 4.435 40 2HD2 ASN 5 2HD2 ASN 5 3.503 4.647 4.222 41 H ILE 6 H ILE 6 6.082 10.512 5.158 42 HA ILE 6 HA ILE 6 8.235 11.149 3.380 43 HB ILE 6 HB ILE 6 7.423 12.652 5.856 44 1HG1 ILE 6 2HG1 ILE 6 5.478 12.109 4.373 45 2HG1 ILE 6 1HG1 ILE 6 5.784 13.825 4.577 46 1HG2 ILE 6 1HG2 ILE 6 8.774 13.489 3.298 47 2HG2 ILE 6 2HG2 ILE 6 9.486 13.435 4.911 48 3HG2 ILE 6 3HG2 ILE 6 8.219 14.605 4.546 49 1HD1 ILE 6 1HD1 ILE 6 6.655 12.192 2.213 50 2HD1 ILE 6 2HD1 ILE 6 6.823 13.936 2.408 51 3HD1 ILE 6 3HD1 ILE 6 5.219 13.214 2.269 52 H ALA 7 H ALA 7 8.010 9.422 6.248 53 HA ALA 7 HA ALA 7 10.698 10.097 7.152 54 1HB ALA 7 1HB ALA 7 10.195 8.742 9.106 55 2HB ALA 7 2HB ALA 7 8.678 8.223 8.374 56 3HB ALA 7 3HB ALA 7 8.908 9.913 8.821 57 H ALA 8 H ALA 8 10.286 8.712 4.627 58 HA ALA 8 HA ALA 8 11.565 6.130 5.233 59 1HB ALA 8 1HB ALA 8 9.413 5.874 4.122 60 2HB ALA 8 2HB ALA 8 10.729 5.334 3.078 61 3HB ALA 8 3HB ALA 8 9.965 6.898 2.797 62 H LYS 9 H LYS 9 13.700 6.704 5.221 63 HA LYS 9 HA LYS 9 14.754 8.164 2.911 64 1HB LYS 9 2HB LYS 9 15.810 7.539 5.646 65 2HB LYS 9 1HB LYS 9 16.930 7.932 4.353 66 1HG LYS 9 2HG LYS 9 16.467 9.914 5.607 67 2HG LYS 9 1HG LYS 9 15.728 10.068 4.014 68 1HD LYS 9 2HD LYS 9 13.968 8.889 6.035 69 2HD LYS 9 1HD LYS 9 14.468 10.541 6.397 70 1HE LYS 9 2HE LYS 9 13.165 9.582 3.852 71 2HE LYS 9 1HE LYS 9 12.399 10.534 5.120 72 1HZ LYS 9 1HZ LYS 9 14.674 11.407 3.425 73 2HZ LYS 9 2HZ LYS 9 13.973 12.321 4.663 74 3HZ LYS 9 3HZ LYS 9 13.072 11.932 3.285 75 H SER 10 H SER 10 14.163 5.056 3.815 76 HA SER 10 HA SER 10 16.514 3.699 2.978 77 1HB SER 10 2HB SER 10 14.599 2.814 4.428 78 2HB SER 10 1HB SER 10 13.748 2.543 2.909 79 HG SER 10 HG SER 10 15.979 1.250 3.957 80 H GLN 11 H GLN 11 15.179 1.782 1.273 81 HA GLN 11 HA GLN 11 15.491 3.281 -1.213 82 1HB GLN 11 2HB GLN 11 17.339 1.729 -1.086 83 2HB GLN 11 1HB GLN 11 16.268 0.423 -0.595 84 1HG GLN 11 2HG GLN 11 15.143 0.608 -2.811 85 2HG GLN 11 1HG GLN 11 16.383 1.769 -3.283 86 1HE2 GLN 11 1HE2 GLN 11 18.478 0.370 -1.802 87 2HE2 GLN 11 2HE2 GLN 11 18.863 -1.035 -2.730 88 H GLU 12 H GLU 12 14.441 0.288 0.010 89 HA GLU 12 HA GLU 12 12.080 0.072 -1.621 90 1HB GLU 12 2HB GLU 12 13.089 -1.671 0.622 91 2HB GLU 12 1HB GLU 12 11.718 -2.064 -0.406 92 1HG GLU 12 2HG GLU 12 13.174 -2.083 -2.358 93 2HG GLU 12 1HG GLU 12 14.551 -1.662 -1.340 94 H GLU 13 H GLU 13 12.650 0.933 1.763 95 HA GLU 13 HA GLU 13 10.124 0.531 2.792 96 1HB GLU 13 2HB GLU 13 12.006 2.810 3.397 97 2HB GLU 13 1HB GLU 13 10.595 2.391 4.363 98 1HG GLU 13 2HG GLU 13 12.959 0.610 3.852 99 2HG GLU 13 1HG GLU 13 12.657 1.522 5.331 100 H ARG 14 H ARG 14 11.297 3.461 1.200 101 HA ARG 14 HA ARG 14 8.866 4.861 1.313 102 1HB ARG 14 2HB ARG 14 9.851 6.300 -0.445 103 2HB ARG 14 1HB ARG 14 10.939 6.019 0.907 104 1HG ARG 14 2HG ARG 14 12.093 4.286 -0.425 105 2HG ARG 14 1HG ARG 14 11.045 4.685 -1.789 106 1HD ARG 14 2HD ARG 14 12.886 6.617 -0.390 107 2HD ARG 14 1HD ARG 14 13.252 5.793 -1.907 108 HE ARG 14 HE ARG 14 10.819 7.143 -2.202 109 1HH1 ARG 14 1HH1 ARG 14 14.204 7.843 -1.757 110 2HH1 ARG 14 2HH1 ARG 14 14.130 9.363 -2.582 111 1HH2 ARG 14 1HH2 ARG 14 10.712 9.145 -3.289 112 2HH2 ARG 14 2HH2 ARG 14 12.145 10.104 -3.451 113 H ASP 15 H ASP 15 10.144 2.702 -1.171 114 HA ASP 15 HA ASP 15 7.968 3.227 -2.961 115 1HB ASP 15 2HB ASP 15 10.162 1.165 -2.995 116 2HB ASP 15 1HB ASP 15 8.943 1.292 -4.259 117 H LYS 16 H LYS 16 8.907 0.220 -1.276 118 HA LYS 16 HA LYS 16 6.816 -1.378 -1.980 119 1HB LYS 16 2HB LYS 16 8.156 -1.302 0.720 120 2HB LYS 16 1HB LYS 16 7.204 -2.640 0.092 121 1HG LYS 16 2HG LYS 16 8.925 -2.496 -1.891 122 2HG LYS 16 1HG LYS 16 9.929 -1.727 -0.662 123 1HD LYS 16 2HD LYS 16 10.425 -4.058 -0.631 124 2HD LYS 16 1HD LYS 16 9.475 -3.704 0.813 125 1HE LYS 16 2HE LYS 16 7.475 -4.560 -0.259 126 2HE LYS 16 1HE LYS 16 8.366 -4.833 -1.756 127 1HZ LYS 16 1HZ LYS 16 8.086 -6.871 -0.470 128 2HZ LYS 16 2HZ LYS 16 8.915 -6.182 0.835 129 3HZ LYS 16 3HZ LYS 16 9.723 -6.467 -0.622 130 H VAL 17 H VAL 17 6.817 0.430 1.108 131 HA VAL 17 HA VAL 17 4.205 -0.272 1.787 132 HB VAL 17 HB VAL 17 4.323 1.362 3.486 133 1HG1 VAL 17 1HG1 VAL 17 7.033 0.146 3.030 134 2HG1 VAL 17 2HG1 VAL 17 5.664 -0.630 3.830 135 3HG1 VAL 17 3HG1 VAL 17 6.438 0.772 4.569 136 1HG2 VAL 17 1HG2 VAL 17 5.036 3.291 2.428 137 2HG2 VAL 17 2HG2 VAL 17 6.491 2.509 1.821 138 3HG2 VAL 17 3HG2 VAL 17 6.351 2.896 3.537 139 H ASN 18 H ASN 18 5.416 2.707 0.263 140 HA ASN 18 HA ASN 18 2.924 3.998 0.105 141 1HB ASN 18 2HB ASN 18 5.414 4.293 -1.567 142 2HB ASN 18 1HB ASN 18 4.012 5.343 -1.730 143 1HD2 ASN 18 1HD2 ASN 18 6.307 4.137 0.671 144 2HD2 ASN 18 2HD2 ASN 18 6.382 5.593 1.590 145 H VAL 19 H VAL 19 4.196 1.351 -1.606 146 HA VAL 19 HA VAL 19 2.426 1.723 -3.897 147 HB VAL 19 HB VAL 19 4.917 0.481 -3.622 148 1HG1 VAL 19 1HG1 VAL 19 2.812 -1.611 -4.140 149 2HG1 VAL 19 2HG1 VAL 19 3.851 -1.518 -2.720 150 3HG1 VAL 19 3HG1 VAL 19 4.553 -1.830 -4.307 151 1HG2 VAL 19 1HG2 VAL 19 4.672 -0.011 -5.992 152 2HG2 VAL 19 2HG2 VAL 19 4.040 1.589 -5.611 153 3HG2 VAL 19 3HG2 VAL 19 2.932 0.245 -5.876 154 H ASP 20 H ASP 20 2.799 -0.055 -0.953 155 HA ASP 20 HA ASP 20 0.807 -2.027 -1.405 156 1HB ASP 20 2HB ASP 20 2.539 -2.236 0.355 157 2HB ASP 20 1HB ASP 20 1.815 -0.883 1.216 158 H LEU 21 H LEU 21 0.821 1.217 -0.069 159 HA LEU 21 HA LEU 21 -1.999 1.119 0.550 160 1HB LEU 21 2HB LEU 21 -1.727 3.473 1.204 161 2HB LEU 21 1HB LEU 21 -0.599 2.411 2.023 162 HG LEU 21 HG LEU 21 1.015 3.161 0.071 163 1HD1 LEU 21 1HD1 LEU 21 -1.014 5.377 0.215 164 2HD1 LEU 21 2HD1 LEU 21 -0.499 4.475 -1.208 165 3HD1 LEU 21 3HD1 LEU 21 0.619 5.585 -0.417 166 1HD2 LEU 21 1HD2 LEU 21 0.370 4.994 2.372 167 2HD2 LEU 21 2HD2 LEU 21 1.916 4.833 1.537 168 3HD2 LEU 21 3HD2 LEU 21 1.298 3.501 2.515 169 H ALA 22 H ALA 22 0.124 2.262 -1.966 170 HA ALA 22 HA ALA 22 -1.458 4.020 -3.356 171 1HB ALA 22 1HB ALA 22 0.790 3.551 -4.081 172 2HB ALA 22 2HB ALA 22 -0.312 3.196 -5.410 173 3HB ALA 22 3HB ALA 22 0.365 1.881 -4.451 174 H ALA 23 H ALA 23 -1.363 0.501 -3.743 175 HA ALA 23 HA ALA 23 -3.547 0.350 -5.537 176 1HB ALA 23 1HB ALA 23 -3.566 -2.101 -4.681 177 2HB ALA 23 2HB ALA 23 -2.100 -1.635 -3.816 178 3HB ALA 23 3HB ALA 23 -2.164 -1.521 -5.575 179 H SER 24 H SER 24 -3.224 -0.204 -2.068 180 HA SER 24 HA SER 24 -5.715 -1.015 -1.342 181 1HB SER 24 2HB SER 24 -3.894 -0.757 0.259 182 2HB SER 24 1HB SER 24 -3.995 0.997 0.122 183 HG SER 24 HG SER 24 -6.407 0.234 0.711 184 H GLY 25 H GLY 25 -4.794 2.455 -1.375 185 1HA GLY 25 2HA GLY 25 -7.309 3.467 -0.783 186 2HA GLY 25 1HA GLY 25 -6.073 4.325 -1.689 187 H VAL 26 H VAL 26 -5.927 2.652 -3.944 188 HA VAL 26 HA VAL 26 -7.916 3.751 -5.543 189 HB VAL 26 HB VAL 26 -6.200 1.322 -6.046 190 1HG1 VAL 26 1HG1 VAL 26 -6.701 1.679 -8.429 191 2HG1 VAL 26 2HG1 VAL 26 -7.864 2.930 -7.986 192 3HG1 VAL 26 3HG1 VAL 26 -8.143 1.256 -7.507 193 1HG2 VAL 26 1HG2 VAL 26 -5.053 3.505 -5.637 194 2HG2 VAL 26 2HG2 VAL 26 -5.897 4.152 -7.043 195 3HG2 VAL 26 3HG2 VAL 26 -4.757 2.820 -7.235 196 H ALA 27 H ALA 27 -7.694 0.275 -4.624 197 HA ALA 27 HA ALA 27 -10.449 -0.089 -5.479 198 1HB ALA 27 1HB ALA 27 -9.962 -2.514 -4.806 199 2HB ALA 27 2HB ALA 27 -8.291 -1.984 -4.639 200 3HB ALA 27 3HB ALA 27 -9.104 -1.845 -6.193 201 H TYR 28 H TYR 28 -8.630 -0.734 -2.464 202 HA TYR 28 HA TYR 28 -10.630 -1.637 -0.846 203 1HB TYR 28 2HB TYR 28 -8.034 -0.589 -0.466 204 2HB TYR 28 1HB TYR 28 -9.079 0.263 0.659 205 HD1 TYR 28 1HD TYR 28 -7.802 -0.709 2.508 206 HD2 TYR 28 2HD TYR 28 -9.922 -3.190 -0.215 207 HE1 TYR 28 1HE TYR 28 -7.605 -2.586 4.078 208 HE2 TYR 28 2HE TYR 28 -9.738 -5.075 1.350 209 HH TYR 28 HH TYR 28 -8.737 -4.692 4.582 210 H LYS 29 H LYS 29 -10.124 1.718 -1.838 211 HA LYS 29 HA LYS 29 -11.932 2.801 0.080 212 1HB LYS 29 2HB LYS 29 -10.279 4.261 -0.849 213 2HB LYS 29 1HB LYS 29 -10.814 3.915 -2.489 214 1HG LYS 29 2HG LYS 29 -12.907 5.063 -2.090 215 2HG LYS 29 1HG LYS 29 -12.455 5.349 -0.408 216 1HD LYS 29 2HD LYS 29 -10.502 6.648 -1.209 217 2HD LYS 29 1HD LYS 29 -11.088 6.446 -2.861 218 1HE LYS 29 2HE LYS 29 -11.769 8.604 -2.021 219 2HE LYS 29 1HE LYS 29 -13.185 7.575 -2.219 220 1HZ LYS 29 1HZ LYS 29 -13.097 7.101 0.170 221 2HZ LYS 29 2HZ LYS 29 -13.299 8.751 -0.137 222 3HZ LYS 29 3HZ LYS 29 -11.787 8.160 0.335 223 H GLU 30 H GLU 30 -12.262 2.456 -3.446 224 HA GLU 30 HA GLU 30 -14.987 3.171 -3.474 225 1HB GLU 30 2HB GLU 30 -13.468 1.559 -5.528 226 2HB GLU 30 1HB GLU 30 -14.988 2.404 -5.790 227 1HG GLU 30 2HG GLU 30 -12.352 3.691 -5.113 228 2HG GLU 30 1HG GLU 30 -13.099 3.635 -6.708 229 H ARG 31 H ARG 31 -13.882 0.636 -1.914 230 HA ARG 31 HA ARG 31 -16.179 -1.050 -2.654 231 1HB ARG 31 2HB ARG 31 -13.368 -1.713 -2.438 232 2HB ARG 31 1HB ARG 31 -14.334 -2.698 -1.350 233 1HG ARG 31 2HG ARG 31 -14.095 -3.852 -3.429 234 2HG ARG 31 1HG ARG 31 -15.771 -3.327 -3.266 235 1HD ARG 31 2HD ARG 31 -15.361 -1.456 -4.751 236 2HD ARG 31 1HD ARG 31 -13.653 -1.877 -4.851 237 HE ARG 31 HE ARG 31 -15.224 -4.072 -5.663 238 1HH1 ARG 31 1HH1 ARG 31 -14.239 -0.904 -6.733 239 2HH1 ARG 31 2HH1 ARG 31 -14.367 -1.294 -8.416 240 1HH2 ARG 31 1HH2 ARG 31 -15.395 -4.591 -7.876 241 2HH2 ARG 31 2HH2 ARG 31 -15.024 -3.386 -9.065 242 H LEU 32 H LEU 32 -13.876 -0.642 0.038 243 HA LEU 32 HA LEU 32 -16.075 -1.064 1.921 244 1HB LEU 32 2HB LEU 32 -13.215 -0.923 2.756 245 2HB LEU 32 1HB LEU 32 -14.531 -1.827 3.469 246 HG LEU 32 HG LEU 32 -13.136 -3.454 2.574 247 1HD1 LEU 32 1HD1 LEU 32 -14.305 -4.388 0.618 248 2HD1 LEU 32 2HD1 LEU 32 -15.260 -2.905 0.541 249 3HD1 LEU 32 3HD1 LEU 32 -15.361 -3.949 1.957 250 1HD2 LEU 32 1HD2 LEU 32 -11.918 -1.651 1.151 251 2HD2 LEU 32 2HD2 LEU 32 -12.964 -2.263 -0.133 252 3HD2 LEU 32 3HD2 LEU 32 -11.864 -3.355 0.702 253 H ASN 33 H ASN 33 -14.161 0.142 3.980 254 HA ASN 33 HA ASN 33 -14.892 2.942 3.482 255 1HB ASN 33 2HB ASN 33 -16.047 1.921 5.413 256 2HB ASN 33 1HB ASN 33 -14.488 1.539 6.135 257 1HD2 ASN 33 1HD2 ASN 33 -13.305 3.138 7.109 258 2HD2 ASN 33 2HD2 ASN 33 -13.925 4.721 7.414 259 H ILE 34 H ILE 34 -12.889 3.038 2.248 260 HA ILE 34 HA ILE 34 -10.565 3.440 4.027 261 HB ILE 34 HB ILE 34 -10.603 2.262 1.259 262 1HG1 ILE 34 2HG1 ILE 34 -9.037 0.641 2.510 263 2HG1 ILE 34 1HG1 ILE 34 -9.655 1.396 3.973 264 1HG2 ILE 34 1HG2 ILE 34 -8.226 3.398 2.721 265 2HG2 ILE 34 2HG2 ILE 34 -8.898 3.964 1.192 266 3HG2 ILE 34 3HG2 ILE 34 -8.135 2.377 1.285 267 1HD1 ILE 34 1HD1 ILE 34 -10.994 -0.474 3.701 268 2HD1 ILE 34 2HD1 ILE 34 -11.105 -0.263 1.955 269 3HD1 ILE 34 3HD1 ILE 34 -11.972 0.832 3.030 270 HA PRO 35 HA PRO 35 -11.279 7.487 2.189 271 1HB PRO 35 2HB PRO 35 -10.423 8.965 4.212 272 2HB PRO 35 1HB PRO 35 -11.911 8.019 4.373 273 1HG PRO 35 2HG PRO 35 -9.137 7.337 5.310 274 2HG PRO 35 1HG PRO 35 -10.664 7.265 6.219 275 1HD PRO 35 2HD PRO 35 -9.530 5.098 4.994 276 2HD PRO 35 1HD PRO 35 -11.277 5.269 5.258 277 H VAL 36 H VAL 36 -9.445 6.735 0.660 278 HA VAL 36 HA VAL 36 -7.123 8.450 1.167 279 HB VAL 36 HB VAL 36 -7.006 5.629 0.084 280 1HG1 VAL 36 1HG1 VAL 36 -4.839 7.701 0.415 281 2HG1 VAL 36 2HG1 VAL 36 -5.410 6.989 -1.095 282 3HG1 VAL 36 3HG1 VAL 36 -4.546 5.994 0.080 283 1HG2 VAL 36 1HG2 VAL 36 -5.679 6.710 2.556 284 2HG2 VAL 36 2HG2 VAL 36 -5.885 5.026 2.072 285 3HG2 VAL 36 3HG2 VAL 36 -7.283 5.975 2.588 286 H ILE 37 H ILE 37 -6.125 9.297 -0.722 287 HA ILE 37 HA ILE 37 -7.991 9.431 -2.978 288 HB ILE 37 HB ILE 37 -5.596 11.179 -2.437 289 1HG1 ILE 37 2HG1 ILE 37 -7.278 11.400 -0.652 290 2HG1 ILE 37 1HG1 ILE 37 -7.170 12.860 -1.626 291 1HG2 ILE 37 1HG2 ILE 37 -6.215 11.157 -4.767 292 2HG2 ILE 37 2HG2 ILE 37 -6.676 12.702 -4.050 293 3HG2 ILE 37 3HG2 ILE 37 -7.901 11.469 -4.354 294 1HD1 ILE 37 1HD1 ILE 37 -9.474 12.272 -1.062 295 2HD1 ILE 37 2HD1 ILE 37 -9.283 10.738 -1.908 296 3HD1 ILE 37 3HD1 ILE 37 -9.193 12.255 -2.802 297 H ALA 38 H ALA 38 -7.548 8.574 -4.891 298 HA ALA 38 HA ALA 38 -5.262 6.902 -5.237 299 1HB ALA 38 1HB ALA 38 -7.464 6.344 -6.164 300 2HB ALA 38 2HB ALA 38 -6.206 6.363 -7.401 301 3HB ALA 38 3HB ALA 38 -7.334 7.712 -7.269 302 H GLU 39 H GLU 39 -6.274 9.978 -6.703 303 HA GLU 39 HA GLU 39 -4.351 10.297 -8.638 304 1HB GLU 39 2HB GLU 39 -4.885 12.699 -6.998 305 2HB GLU 39 1HB GLU 39 -4.955 12.492 -8.739 306 1HG GLU 39 2HG GLU 39 -7.019 11.579 -6.752 307 2HG GLU 39 1HG GLU 39 -7.150 12.959 -7.841 308 H GLN 40 H GLN 40 -3.931 10.340 -5.230 309 HA GLN 40 HA GLN 40 -1.412 11.754 -5.207 310 1HB GLN 40 2HB GLN 40 -2.447 9.879 -3.098 311 2HB GLN 40 1HB GLN 40 -1.282 11.181 -2.894 312 1HG GLN 40 2HG GLN 40 -3.044 12.818 -3.391 313 2HG GLN 40 1HG GLN 40 -4.207 11.501 -3.510 314 1HE2 GLN 40 1HE2 GLN 40 -4.245 13.741 -1.706 315 2HE2 GLN 40 2HE2 GLN 40 -4.197 13.096 -0.105 316 H VAL 41 H VAL 41 -2.496 8.408 -5.068 317 HA VAL 41 HA VAL 41 0.168 7.377 -4.873 318 HB VAL 41 HB VAL 41 -0.762 5.294 -4.625 319 1HG1 VAL 41 1HG1 VAL 41 -3.010 7.159 -3.879 320 2HG1 VAL 41 2HG1 VAL 41 -1.635 6.708 -2.869 321 3HG1 VAL 41 3HG1 VAL 41 -2.836 5.496 -3.315 322 1HG2 VAL 41 1HG2 VAL 41 -1.786 5.080 -6.788 323 2HG2 VAL 41 2HG2 VAL 41 -3.072 6.196 -6.334 324 3HG2 VAL 41 3HG2 VAL 41 -2.962 4.620 -5.557 325 H ALA 42 H ALA 42 -1.882 8.424 -7.367 326 HA ALA 42 HA ALA 42 -0.750 6.718 -9.390 327 1HB ALA 42 1HB ALA 42 -3.105 7.302 -9.505 328 2HB ALA 42 2HB ALA 42 -2.241 7.862 -10.937 329 3HB ALA 42 3HB ALA 42 -2.680 9.006 -9.669 330 H ARG 43 H ARG 43 -0.414 10.065 -8.341 331 HA ARG 43 HA ARG 43 1.033 10.999 -10.566 332 1HB ARG 43 2HB ARG 43 1.894 12.755 -8.967 333 2HB ARG 43 1HB ARG 43 0.147 12.629 -9.096 334 1HG ARG 43 2HG ARG 43 0.494 12.863 -6.826 335 2HG ARG 43 1HG ARG 43 0.318 11.120 -7.020 336 1HD ARG 43 2HD ARG 43 2.191 11.761 -5.529 337 2HD ARG 43 1HD ARG 43 2.702 10.816 -6.927 338 HE ARG 43 HE ARG 43 2.881 13.635 -7.381 339 1HH1 ARG 43 1HH1 ARG 43 4.497 10.900 -5.950 340 2HH1 ARG 43 2HH1 ARG 43 6.075 11.598 -6.083 341 1HH2 ARG 43 1HH2 ARG 43 4.957 14.561 -7.565 342 2HH2 ARG 43 2HH2 ARG 43 6.336 13.679 -7.001 343 H GLU 44 H GLU 44 1.839 8.606 -8.486 344 HA GLU 44 HA GLU 44 4.720 9.016 -8.917 345 1HB GLU 44 2HB GLU 44 4.752 7.301 -6.858 346 2HB GLU 44 1HB GLU 44 4.774 9.046 -6.654 347 1HG GLU 44 2HG GLU 44 2.466 9.108 -6.162 348 2HG GLU 44 1HG GLU 44 2.243 7.441 -6.678 349 H GLN 45 H GLN 45 2.666 6.288 -7.950 350 HA GLN 45 HA GLN 45 2.565 4.119 -8.680 351 1HB GLN 45 2HB GLN 45 2.966 5.569 -11.295 352 2HB GLN 45 1HB GLN 45 2.657 3.841 -11.203 353 1HG GLN 45 2HG GLN 45 0.528 4.279 -10.088 354 2HG GLN 45 1HG GLN 45 0.839 6.012 -10.183 355 1HE2 GLN 45 1HE2 GLN 45 -1.015 6.367 -11.400 356 2HE2 GLN 45 2HE2 GLN 45 -1.123 5.915 -13.064 357 HA PRO 46 HA PRO 46 7.210 3.841 -8.531 358 1HB PRO 46 2HB PRO 46 6.467 1.704 -6.619 359 2HB PRO 46 1HB PRO 46 7.649 3.008 -6.450 360 1HG PRO 46 2HG PRO 46 5.341 3.102 -5.129 361 2HG PRO 46 1HG PRO 46 6.030 4.570 -5.849 362 1HD PRO 46 2HD PRO 46 3.819 2.824 -6.870 363 2HD PRO 46 1HD PRO 46 3.919 4.599 -6.816 364 H GLU 47 H GLU 47 8.040 2.799 -10.173 365 HA GLU 47 HA GLU 47 6.888 0.417 -11.286 366 1HB GLU 47 2HB GLU 47 7.899 1.937 -12.818 367 2HB GLU 47 1HB GLU 47 9.407 1.952 -11.912 368 1HG GLU 47 2HG GLU 47 9.721 0.640 -13.878 369 2HG GLU 47 1HG GLU 47 9.715 -0.438 -12.482 370 H ASN 48 H ASN 48 9.899 1.144 -9.553 371 HA ASN 48 HA ASN 48 11.069 -1.359 -9.582 372 1HB ASN 48 2HB ASN 48 11.126 0.726 -7.393 373 2HB ASN 48 1HB ASN 48 12.213 -0.658 -7.480 374 1HD2 ASN 48 1HD2 ASN 48 14.019 0.660 -7.619 375 2HD2 ASN 48 2HD2 ASN 48 14.410 1.538 -9.054 376 H LEU 49 H LEU 49 8.141 -0.523 -8.164 377 HA LEU 49 HA LEU 49 8.106 -3.033 -6.658 378 1HB LEU 49 2HB LEU 49 7.619 -0.311 -5.579 379 2HB LEU 49 1HB LEU 49 6.534 -1.576 -5.044 380 HG LEU 49 HG LEU 49 8.250 -1.401 -3.415 381 1HD1 LEU 49 1HD1 LEU 49 7.594 -3.684 -3.985 382 2HD1 LEU 49 2HD1 LEU 49 9.277 -3.602 -3.468 383 3HD1 LEU 49 3HD1 LEU 49 8.887 -3.758 -5.181 384 1HD2 LEU 49 1HD2 LEU 49 10.533 -1.257 -3.810 385 2HD2 LEU 49 2HD2 LEU 49 9.841 -0.268 -5.097 386 3HD2 LEU 49 3HD2 LEU 49 10.392 -1.906 -5.442 387 H ARG 50 H ARG 50 7.038 -2.036 -9.237 388 HA ARG 50 HA ARG 50 4.268 -1.623 -9.114 389 1HB ARG 50 2HB ARG 50 5.635 -1.209 -11.123 390 2HB ARG 50 1HB ARG 50 5.892 -2.937 -11.302 391 1HG ARG 50 2HG ARG 50 4.197 -2.186 -12.845 392 2HG ARG 50 1HG ARG 50 3.476 -3.246 -11.633 393 1HD ARG 50 2HD ARG 50 2.620 -1.330 -10.423 394 2HD ARG 50 1HD ARG 50 3.418 -0.231 -11.547 395 HE ARG 50 HE ARG 50 1.832 -1.710 -13.161 396 1HH1 ARG 50 1HH1 ARG 50 1.238 0.084 -10.232 397 2HH1 ARG 50 2HH1 ARG 50 -0.396 0.478 -10.654 398 1HH2 ARG 50 1HH2 ARG 50 -0.318 -1.198 -13.721 399 2HH2 ARG 50 2HH2 ARG 50 -1.280 -0.250 -12.636 400 H THR 51 H THR 51 6.224 -4.463 -8.855 401 HA THR 51 HA THR 51 4.164 -6.371 -9.364 402 HB THR 51 HB THR 51 6.638 -6.872 -7.713 403 HG1 THR 51 1HG THR 51 6.602 -5.938 -10.174 404 1HG2 THR 51 1HG2 THR 51 4.989 -8.675 -7.795 405 2HG2 THR 51 2HG2 THR 51 6.455 -9.122 -8.670 406 3HG2 THR 51 3HG2 THR 51 5.014 -8.626 -9.557 407 H TYR 52 H TYR 52 5.600 -4.997 -6.425 408 HA TYR 52 HA TYR 52 4.221 -6.501 -4.534 409 1HB TYR 52 2HB TYR 52 6.166 -5.003 -4.097 410 2HB TYR 52 1HB TYR 52 5.107 -3.616 -4.311 411 HD1 TYR 52 1HD TYR 52 5.433 -2.704 -2.117 412 HD2 TYR 52 2HD TYR 52 4.079 -6.702 -2.604 413 HE1 TYR 52 1HE TYR 52 4.849 -2.789 0.261 414 HE2 TYR 52 2HE TYR 52 3.490 -6.807 -0.223 415 HH TYR 52 HH TYR 52 4.110 -5.683 1.877 416 H PHE 53 H PHE 53 3.428 -3.293 -5.852 417 HA PHE 53 HA PHE 53 1.077 -2.779 -4.560 418 1HB PHE 53 2HB PHE 53 1.719 -1.019 -5.829 419 2HB PHE 53 1HB PHE 53 2.264 -2.018 -7.165 420 HD1 PHE 53 1HD PHE 53 -0.117 0.297 -6.071 421 HD2 PHE 53 2HD PHE 53 0.307 -3.125 -8.566 422 HE1 PHE 53 1HE PHE 53 -2.103 0.987 -7.347 423 HE2 PHE 53 2HE PHE 53 -1.684 -2.447 -9.838 424 HZ PHE 53 HZ PHE 53 -2.892 -0.388 -9.232 425 H MET 54 H MET 54 1.628 -5.021 -7.174 426 HA MET 54 HA MET 54 -1.174 -5.523 -7.648 427 1HB MET 54 2HB MET 54 1.285 -7.046 -8.537 428 2HB MET 54 1HB MET 54 -0.354 -7.344 -9.104 429 1HG MET 54 2HG MET 54 1.022 -4.698 -9.405 430 2HG MET 54 1HG MET 54 1.123 -5.977 -10.616 431 1HE MET 54 1HE MET 54 -1.311 -3.458 -12.335 432 2HE MET 54 2HE MET 54 0.176 -4.396 -12.488 433 3HE MET 54 3HE MET 54 0.086 -3.064 -11.334 434 H GLU 55 H GLU 55 1.478 -7.111 -5.936 435 HA GLU 55 HA GLU 55 0.183 -9.476 -5.218 436 1HB GLU 55 2HB GLU 55 2.215 -7.898 -3.619 437 2HB GLU 55 1HB GLU 55 1.786 -9.580 -3.339 438 1HG GLU 55 2HG GLU 55 2.609 -10.120 -5.608 439 2HG GLU 55 1HG GLU 55 3.127 -8.446 -5.780 440 H ARG 56 H ARG 56 0.398 -6.392 -3.490 441 HA ARG 56 HA ARG 56 -1.398 -7.166 -1.430 442 1HB ARG 56 2HB ARG 56 0.256 -5.368 -1.126 443 2HB ARG 56 1HB ARG 56 -0.560 -4.406 -2.350 444 1HG ARG 56 2HG ARG 56 -1.130 -3.629 -0.131 445 2HG ARG 56 1HG ARG 56 -2.548 -4.297 -0.935 446 1HD ARG 56 2HD ARG 56 -2.230 -6.405 0.294 447 2HD ARG 56 1HD ARG 56 -0.845 -5.696 1.121 448 HE ARG 56 HE ARG 56 -3.224 -4.140 1.429 449 1HH1 ARG 56 1HH1 ARG 56 -1.487 -6.913 2.628 450 2HH1 ARG 56 2HH1 ARG 56 -2.212 -6.848 4.201 451 1HH2 ARG 56 1HH2 ARG 56 -4.185 -4.049 3.494 452 2HH2 ARG 56 2HH2 ARG 56 -3.747 -5.222 4.691 453 H LEU 57 H LEU 57 -1.693 -5.490 -4.512 454 HA LEU 57 HA LEU 57 -4.248 -4.509 -4.423 455 1HB LEU 57 2HB LEU 57 -2.921 -4.100 -6.347 456 2HB LEU 57 1HB LEU 57 -2.754 -5.812 -6.680 457 HG LEU 57 HG LEU 57 -5.206 -5.883 -7.170 458 1HD1 LEU 57 1HD1 LEU 57 -5.919 -3.923 -5.950 459 2HD1 LEU 57 2HD1 LEU 57 -6.319 -3.738 -7.657 460 3HD1 LEU 57 3HD1 LEU 57 -4.931 -2.888 -6.978 461 1HD2 LEU 57 1HD2 LEU 57 -3.521 -4.025 -8.843 462 2HD2 LEU 57 2HD2 LEU 57 -4.993 -4.837 -9.380 463 3HD2 LEU 57 3HD2 LEU 57 -3.565 -5.785 -8.957 464 H ARG 58 H ARG 58 -3.349 -7.762 -5.527 465 HA ARG 58 HA ARG 58 -6.007 -8.688 -5.794 466 1HB ARG 58 2HB ARG 58 -4.947 -10.927 -5.959 467 2HB ARG 58 1HB ARG 58 -4.221 -9.728 -7.012 468 1HG ARG 58 2HG ARG 58 -2.344 -9.478 -5.541 469 2HG ARG 58 1HG ARG 58 -3.082 -10.555 -4.357 470 1HD ARG 58 2HD ARG 58 -2.908 -12.418 -5.852 471 2HD ARG 58 1HD ARG 58 -2.382 -11.372 -7.170 472 HE ARG 58 HE ARG 58 -0.550 -11.037 -5.127 473 1HH1 ARG 58 1HH1 ARG 58 -1.687 -13.639 -7.146 474 2HH1 ARG 58 2HH1 ARG 58 -0.180 -14.493 -7.118 475 1HH2 ARG 58 1HH2 ARG 58 1.440 -12.149 -5.086 476 2HH2 ARG 58 2HH2 ARG 58 1.599 -13.645 -5.946 477 H HIS 59 H HIS 59 -3.662 -8.815 -3.179 478 HA HIS 59 HA HIS 59 -4.999 -10.697 -1.578 479 1HB HIS 59 2HB HIS 59 -2.641 -10.046 -1.265 480 2HB HIS 59 1HB HIS 59 -3.165 -8.463 -0.700 481 HD1 HIS 59 1HD HIS 59 -2.780 -11.998 0.373 482 HD2 HIS 59 2HD HIS 59 -4.308 -8.445 1.893 483 HE1 HIS 59 1HE HIS 59 -3.104 -12.404 2.834 484 HE2 HIS 59 2HE HIS 59 -4.091 -10.262 3.722 485 H TYR 60 H TYR 60 -4.991 -7.127 -1.227 486 HA TYR 60 HA TYR 60 -6.937 -7.263 0.836 487 1HB TYR 60 2HB TYR 60 -6.962 -4.909 0.896 488 2HB TYR 60 1HB TYR 60 -5.299 -5.383 0.586 489 HD1 TYR 60 1HD TYR 60 -4.160 -4.261 -1.032 490 HD2 TYR 60 2HD TYR 60 -8.380 -4.497 -1.298 491 HE1 TYR 60 1HE TYR 60 -4.104 -2.811 -2.970 492 HE2 TYR 60 2HE TYR 60 -8.344 -3.035 -3.256 493 HH TYR 60 HH TYR 60 -6.893 -1.338 -4.257 494 H ARG 61 H ARG 61 -7.078 -7.171 -2.615 495 HA ARG 61 HA ARG 61 -9.726 -6.281 -2.929 496 1HB ARG 61 2HB ARG 61 -8.117 -6.575 -4.799 497 2HB ARG 61 1HB ARG 61 -8.237 -8.318 -4.603 498 1HG ARG 61 2HG ARG 61 -10.525 -8.308 -5.278 499 2HG ARG 61 1HG ARG 61 -10.577 -6.544 -5.259 500 1HD ARG 61 2HD ARG 61 -8.963 -6.460 -7.077 501 2HD ARG 61 1HD ARG 61 -8.847 -8.220 -7.076 502 HE ARG 61 HE ARG 61 -11.384 -8.022 -7.583 503 1HH1 ARG 61 1HH1 ARG 61 -8.870 -5.908 -8.748 504 2HH1 ARG 61 2HH1 ARG 61 -9.701 -5.521 -10.218 505 1HH2 ARG 61 1HH2 ARG 61 -12.483 -7.518 -9.516 506 2HH2 ARG 61 2HH2 ARG 61 -11.753 -6.436 -10.654 507 H GLN 62 H GLN 62 -8.327 -9.370 -2.122 508 HA GLN 62 HA GLN 62 -10.663 -10.960 -2.326 509 1HB GLN 62 2HB GLN 62 -8.198 -11.259 -0.594 510 2HB GLN 62 1HB GLN 62 -9.477 -12.464 -0.667 511 1HG GLN 62 2HG GLN 62 -9.065 -12.712 -3.083 512 2HG GLN 62 1HG GLN 62 -7.735 -11.563 -2.949 513 1HE2 GLN 62 1HE2 GLN 62 -6.205 -13.050 -3.613 514 2HE2 GLN 62 2HE2 GLN 62 -5.692 -14.366 -2.618 515 H LEU 63 H LEU 63 -9.332 -8.835 0.079 516 HA LEU 63 HA LEU 63 -11.357 -9.469 2.047 517 1HB LEU 63 2HB LEU 63 -9.222 -7.332 1.992 518 2HB LEU 63 1HB LEU 63 -10.300 -7.638 3.341 519 HG LEU 63 HG LEU 63 -8.309 -9.635 2.263 520 1HD1 LEU 63 1HD1 LEU 63 -8.170 -7.848 4.684 521 2HD1 LEU 63 2HD1 LEU 63 -7.152 -7.753 3.250 522 3HD1 LEU 63 3HD1 LEU 63 -7.046 -9.154 4.316 523 1HD2 LEU 63 1HD2 LEU 63 -9.975 -9.657 4.777 524 2HD2 LEU 63 2HD2 LEU 63 -8.804 -10.883 4.288 525 3HD2 LEU 63 3HD2 LEU 63 -10.272 -10.638 3.342 526 H SER 64 H SER 64 -10.883 -7.340 -0.607 527 HA SER 64 HA SER 64 -12.579 -5.229 0.176 528 1HB SER 64 2HB SER 64 -11.932 -6.273 -2.597 529 2HB SER 64 1HB SER 64 -12.780 -4.762 -2.270 530 HG SER 64 HG SER 64 -10.917 -3.870 -1.961 531 H LEU 65 H LEU 65 -13.099 -8.453 -0.768 532 HA LEU 65 HA LEU 65 -15.905 -8.083 -1.418 533 1HB LEU 65 2HB LEU 65 -14.429 -10.687 -1.055 534 2HB LEU 65 1HB LEU 65 -15.931 -10.419 -1.918 535 HG LEU 65 HG LEU 65 -13.225 -9.386 -2.774 536 1HD1 LEU 65 1HD1 LEU 65 -13.395 -11.814 -2.964 537 2HD1 LEU 65 2HD1 LEU 65 -13.380 -11.045 -4.552 538 3HD1 LEU 65 3HD1 LEU 65 -14.895 -11.642 -3.874 539 1HD2 LEU 65 1HD2 LEU 65 -15.013 -7.919 -3.498 540 2HD2 LEU 65 2HD2 LEU 65 -15.915 -9.296 -4.134 541 3HD2 LEU 65 3HD2 LEU 65 -14.383 -8.826 -4.872 542 H GLN 66 H GLN 66 -13.957 -9.735 1.083 543 HA GLN 66 HA GLN 66 -16.200 -10.511 2.637 544 1HB GLN 66 2HB GLN 66 -14.703 -11.509 4.036 545 2HB GLN 66 1HB GLN 66 -13.658 -11.299 2.642 546 1HG GLN 66 2HG GLN 66 -12.362 -10.610 4.441 547 2HG GLN 66 1HG GLN 66 -12.944 -9.104 3.733 548 1HE2 GLN 66 1HE2 GLN 66 -13.004 -7.796 5.448 549 2HE2 GLN 66 2HE2 GLN 66 -13.939 -8.067 6.872 550 H LEU 67 H LEU 67 -13.926 -7.794 2.987 551 HA LEU 67 HA LEU 67 -14.789 -6.657 5.322 552 1HB LEU 67 2HB LEU 67 -13.367 -5.755 2.965 553 2HB LEU 67 1HB LEU 67 -14.347 -4.476 3.642 554 HG LEU 67 HG LEU 67 -13.188 -5.213 5.896 555 1HD1 LEU 67 1HD1 LEU 67 -12.041 -7.117 4.694 556 2HD1 LEU 67 2HD1 LEU 67 -11.015 -6.073 5.678 557 3HD1 LEU 67 3HD1 LEU 67 -11.033 -5.894 3.922 558 1HD2 LEU 67 1HD2 LEU 67 -13.049 -3.007 4.800 559 2HD2 LEU 67 2HD2 LEU 67 -11.734 -3.612 3.793 560 3HD2 LEU 67 3HD2 LEU 67 -11.525 -3.495 5.541 561 HA PRO 68 HA PRO 68 -18.786 -4.857 4.708 562 1HB PRO 68 2HB PRO 68 -18.705 -2.461 5.832 563 2HB PRO 68 1HB PRO 68 -18.381 -3.911 6.805 564 1HG PRO 68 2HG PRO 68 -16.399 -2.103 5.440 565 2HG PRO 68 1HG PRO 68 -16.462 -2.554 7.165 566 1HD PRO 68 2HD PRO 68 -14.877 -3.855 5.457 567 2HD PRO 68 1HD PRO 68 -15.747 -4.735 6.730 568 H LYS 69 H LYS 69 -19.954 -2.773 3.980 569 HA LYS 69 HA LYS 69 -20.536 -1.429 2.257 570 1HB LYS 69 2HB LYS 69 -17.734 -0.759 2.855 571 2HB LYS 69 1HB LYS 69 -18.318 -0.212 1.287 572 1HG LYS 69 2HG LYS 69 -20.149 0.968 2.366 573 2HG LYS 69 1HG LYS 69 -19.601 0.392 3.941 574 1HD LYS 69 2HD LYS 69 -17.445 1.560 3.562 575 2HD LYS 69 1HD LYS 69 -18.100 2.209 2.057 576 1HE LYS 69 2HE LYS 69 -18.296 3.856 3.816 577 2HE LYS 69 1HE LYS 69 -19.898 3.297 3.338 578 1HZ LYS 69 1HZ LYS 69 -19.917 1.832 5.263 579 2HZ LYS 69 2HZ LYS 69 -19.706 3.443 5.734 580 3HZ LYS 69 3HZ LYS 69 -18.387 2.385 5.726 581 H GLY 70 H GLY 70 -21.025 -1.717 0.183 582 1HA GLY 70 2HA GLY 70 -20.859 -2.385 -2.021 583 2HA GLY 70 1HA GLY 70 -19.167 -2.754 -1.739 584 H SER 71 H SER 71 -19.672 -4.594 0.463 585 HA SER 71 HA SER 71 -21.373 -6.678 -0.538 586 1HB SER 71 2HB SER 71 -19.464 -6.967 -2.040 587 2HB SER 71 1HB SER 71 -18.370 -7.052 -0.659 588 HG SER 71 HG SER 71 -20.343 -8.830 -0.336 589 H ASP 72 H ASP 72 -21.923 -8.103 1.026 590 HA ASP 72 HA ASP 72 -20.281 -8.339 3.427 591 1HB ASP 72 2HB ASP 72 -23.218 -7.716 3.679 592 2HB ASP 72 1HB ASP 72 -22.004 -7.772 4.947 593 HA PRO 73 HA PRO 73 -21.832 -12.438 2.345 594 1HB PRO 73 2HB PRO 73 -19.605 -13.367 3.989 595 2HB PRO 73 1HB PRO 73 -19.905 -13.638 2.272 596 1HG PRO 73 2HG PRO 73 -17.911 -12.047 3.123 597 2HG PRO 73 1HG PRO 73 -18.823 -11.708 1.637 598 1HD PRO 73 2HD PRO 73 -19.164 -10.500 4.366 599 2HD PRO 73 1HD PRO 73 -19.107 -9.692 2.791 600 H ALA 74 H ALA 74 -20.489 -11.692 5.496 601 HA ALA 74 HA ALA 74 -22.896 -12.742 6.780 602 1HB ALA 74 1HB ALA 74 -21.225 -14.565 6.814 603 2HB ALA 74 2HB ALA 74 -21.593 -13.968 8.431 604 3HB ALA 74 3HB ALA 74 -20.094 -13.489 7.635 605 H TYR 75 H TYR 75 -21.216 -10.236 6.108 606 HA TYR 75 HA TYR 75 -20.480 -9.134 8.652 607 1HB TYR 75 2HB TYR 75 -19.856 -8.476 6.107 608 2HB TYR 75 1HB TYR 75 -21.103 -7.277 6.432 609 HD1 TYR 75 1HD TYR 75 -20.813 -5.719 8.383 610 HD2 TYR 75 2HD TYR 75 -17.681 -8.249 7.011 611 HE1 TYR 75 1HE TYR 75 -19.174 -4.323 9.572 612 HE2 TYR 75 2HE TYR 75 -16.034 -6.861 8.196 613 HH TYR 75 HH TYR 75 -15.848 -4.532 9.035 614 H GLN 76 H GLN 76 -21.485 -7.320 9.700 615 HA GLN 76 HA GLN 76 -24.392 -7.531 9.609 616 1HB GLN 76 2HB GLN 76 -22.570 -6.223 11.627 617 2HB GLN 76 1HB GLN 76 -24.323 -6.315 11.760 618 1HG GLN 76 2HG GLN 76 -22.482 -8.679 11.603 619 2HG GLN 76 1HG GLN 76 -23.149 -8.022 13.096 620 1HE2 GLN 76 1HE2 GLN 76 -23.800 -9.790 10.179 621 2HE2 GLN 76 2HE2 GLN 76 -25.363 -10.372 10.636 622 H LYS 77 H LYS 77 -25.739 -5.910 9.093 623 HA LYS 77 HA LYS 77 -24.619 -3.640 7.698 624 1HB LYS 77 2HB LYS 77 -26.976 -3.142 7.133 625 2HB LYS 77 1HB LYS 77 -26.507 -4.784 6.711 626 1HG LYS 77 2HG LYS 77 -27.500 -5.305 9.101 627 2HG LYS 77 1HG LYS 77 -28.397 -3.819 8.785 628 1HD LYS 77 2HD LYS 77 -29.207 -4.759 6.675 629 2HD LYS 77 1HD LYS 77 -28.309 -6.243 6.994 630 1HE LYS 77 2HE LYS 77 -30.557 -5.127 8.664 631 2HE LYS 77 1HE LYS 77 -30.660 -6.507 7.573 632 1HZ LYS 77 1HZ LYS 77 -30.399 -7.223 9.858 633 2HZ LYS 77 2HZ LYS 77 -28.965 -6.340 10.007 634 3HZ LYS 77 3HZ LYS 77 -29.039 -7.662 8.954 635 H ASP 78 H ASP 78 -24.842 -1.493 8.232 636 HA ASP 78 HA ASP 78 -25.483 -0.969 11.045 637 1HB ASP 78 2HB ASP 78 -23.948 0.699 9.040 638 2HB ASP 78 1HB ASP 78 -24.220 1.134 10.725 639 H ASP 79 H ASP 79 -26.596 -0.401 7.852 640 HA ASP 79 HA ASP 79 -28.568 1.529 8.881 641 1HB ASP 79 2HB ASP 79 -28.694 2.301 6.435 642 2HB ASP 79 1HB ASP 79 -27.274 2.774 7.361 643 H ALA 80 H ALA 80 -28.284 -0.413 5.900 644 HA ALA 80 HA ALA 80 -30.336 -2.230 6.576 645 1HB ALA 80 1HB ALA 80 -32.134 -1.442 5.148 646 2HB ALA 80 2HB ALA 80 -31.190 -0.017 4.714 647 3HB ALA 80 3HB ALA 80 -31.749 -0.234 6.372 648 H VAL 81 H VAL 81 -28.451 -3.403 5.726 649 HA VAL 81 HA VAL 81 -28.837 -3.965 2.901 650 HB VAL 81 HB VAL 81 -27.084 -2.350 2.740 651 1HG1 VAL 81 1HG1 VAL 81 -26.370 -2.469 5.114 652 2HG1 VAL 81 2HG1 VAL 81 -25.030 -2.424 3.972 653 3HG1 VAL 81 3HG1 VAL 81 -25.487 -3.946 4.735 654 1HG2 VAL 81 1HG2 VAL 81 -25.893 -5.117 2.563 655 2HG2 VAL 81 2HG2 VAL 81 -25.282 -3.672 1.757 656 3HG2 VAL 81 3HG2 VAL 81 -26.860 -4.325 1.318 657 H LYS 82 H LYS 82 -29.616 -5.972 3.418 658 HA LYS 82 HA LYS 82 -27.765 -7.791 4.812 659 1HB LYS 82 2HB LYS 82 -29.751 -9.166 5.326 660 2HB LYS 82 1HB LYS 82 -29.864 -7.545 5.998 661 1HG LYS 82 2HG LYS 82 -31.227 -6.951 3.938 662 2HG LYS 82 1HG LYS 82 -31.320 -8.686 3.636 663 1HD LYS 82 2HD LYS 82 -32.220 -7.306 6.163 664 2HD LYS 82 1HD LYS 82 -33.283 -7.832 4.859 665 1HE LYS 82 2HE LYS 82 -31.527 -9.608 6.552 666 2HE LYS 82 1HE LYS 82 -33.276 -9.443 6.691 667 1HZ LYS 82 1HZ LYS 82 -33.530 -10.359 4.494 668 2HZ LYS 82 2HZ LYS 82 -32.611 -11.421 5.436 669 3HZ LYS 82 3HZ LYS 82 -31.854 -10.443 4.284 670 H LYS 83 H LYS 83 -27.229 -9.739 3.904 671 HA LYS 83 HA LYS 83 -28.362 -10.390 1.277 672 1HB LYS 83 2HB LYS 83 -25.402 -10.349 1.898 673 2HB LYS 83 1HB LYS 83 -26.128 -10.884 0.388 674 1HG LYS 83 2HG LYS 83 -27.029 -8.599 0.067 675 2HG LYS 83 1HG LYS 83 -26.162 -8.094 1.518 676 1HD LYS 83 2HD LYS 83 -24.042 -8.742 0.472 677 2HD LYS 83 1HD LYS 83 -24.914 -9.237 -0.980 678 1HE LYS 83 2HE LYS 83 -25.752 -6.918 -1.212 679 2HE LYS 83 1HE LYS 83 -24.763 -6.454 0.172 680 1HZ LYS 83 1HZ LYS 83 -22.797 -7.165 -1.077 681 2HZ LYS 83 2HZ LYS 83 -23.633 -5.929 -1.872 682 3HZ LYS 83 3HZ LYS 83 -23.769 -7.525 -2.415 Start of MODEL 4 1 1H MET 1 1HT MET 1 0.882 21.715 0.359 2 2H MET 1 2HT MET 1 -0.653 21.757 -0.352 3 3H MET 1 3HT MET 1 0.707 22.208 -1.251 4 HA MET 1 HA MET 1 -0.060 20.008 -1.870 5 1HB MET 1 2HB MET 1 2.581 20.046 -0.390 6 2HB MET 1 1HB MET 1 2.101 18.835 -1.573 7 1HG MET 1 2HG MET 1 2.471 21.772 -2.109 8 2HG MET 1 1HG MET 1 3.600 20.489 -2.538 9 1HE MET 1 1HE MET 1 2.543 22.624 -4.619 10 2HE MET 1 2HE MET 1 2.164 21.613 -6.013 11 3HE MET 1 3HE MET 1 3.631 21.315 -5.079 12 H TYR 2 H TYR 2 -0.657 17.934 -1.321 13 HA TYR 2 HA TYR 2 -1.464 17.563 1.433 14 1HB TYR 2 2HB TYR 2 -1.872 15.853 -1.027 15 2HB TYR 2 1HB TYR 2 -2.538 15.484 0.560 16 HD1 TYR 2 1HD TYR 2 -4.241 17.019 1.559 17 HD2 TYR 2 2HD TYR 2 -2.914 17.427 -2.464 18 HE1 TYR 2 1HE TYR 2 -6.219 18.389 1.051 19 HE2 TYR 2 2HE TYR 2 -4.888 18.801 -2.982 20 HH TYR 2 HH TYR 2 -6.908 20.094 -0.587 21 H ASP 3 H ASP 3 -0.964 15.663 2.673 22 HA ASP 3 HA ASP 3 1.797 14.843 2.309 23 1HB ASP 3 2HB ASP 3 -0.162 14.401 4.564 24 2HB ASP 3 1HB ASP 3 1.485 13.775 4.559 25 H TRP 4 H TRP 4 2.294 12.518 2.944 26 HA TRP 4 HA TRP 4 0.609 10.379 2.644 27 1HB TRP 4 2HB TRP 4 0.660 11.626 0.215 28 2HB TRP 4 1HB TRP 4 1.963 10.458 0.028 29 HD1 TRP 4 HD TRP 4 0.984 8.483 -1.291 30 HE1 TRP 4 1HE TRP 4 -1.139 7.039 -1.123 31 HE3 TRP 4 3HE TRP 4 -1.392 10.979 2.474 32 HZ2 TRP 4 2HZ TRP 4 -3.516 6.970 0.413 33 HZ3 TRP 4 3HZ TRP 4 -3.571 10.171 3.241 34 HH2 TRP 4 HH TRP 4 -4.619 8.204 2.232 35 H ASN 5 H ASN 5 1.701 8.377 2.593 36 HA ASN 5 HA ASN 5 3.388 7.065 3.413 37 1HB ASN 5 2HB ASN 5 5.397 7.070 1.855 38 2HB ASN 5 1HB ASN 5 3.827 6.779 1.123 39 1HD2 ASN 5 1HD2 ASN 5 2.927 8.319 -0.215 40 2HD2 ASN 5 2HD2 ASN 5 3.841 9.632 -0.866 41 H ILE 6 H ILE 6 3.233 9.427 4.892 42 HA ILE 6 HA ILE 6 5.730 10.721 5.212 43 HB ILE 6 HB ILE 6 3.648 10.386 7.365 44 1HG1 ILE 6 2HG1 ILE 6 3.718 12.546 5.249 45 2HG1 ILE 6 1HG1 ILE 6 2.635 11.158 5.203 46 1HG2 ILE 6 1HG2 ILE 6 5.671 12.550 6.810 47 2HG2 ILE 6 2HG2 ILE 6 5.747 11.349 8.100 48 3HG2 ILE 6 3HG2 ILE 6 4.478 12.576 8.109 49 1HD1 ILE 6 1HD1 ILE 6 2.226 12.224 7.715 50 2HD1 ILE 6 2HD1 ILE 6 1.186 12.424 6.306 51 3HD1 ILE 6 3HD1 ILE 6 2.412 13.637 6.678 52 H ALA 7 H ALA 7 4.475 7.695 6.224 53 HA ALA 7 HA ALA 7 6.370 7.364 8.373 54 1HB ALA 7 1HB ALA 7 5.360 5.171 8.682 55 2HB ALA 7 2HB ALA 7 4.446 5.369 7.186 56 3HB ALA 7 3HB ALA 7 4.117 6.417 8.567 57 H ALA 8 H ALA 8 7.206 7.724 5.519 58 HA ALA 8 HA ALA 8 8.763 5.251 5.223 59 1HB ALA 8 1HB ALA 8 8.872 5.688 2.846 60 2HB ALA 8 2HB ALA 8 7.998 7.203 3.060 61 3HB ALA 8 3HB ALA 8 7.191 5.668 3.376 62 H LYS 9 H LYS 9 10.837 5.457 5.747 63 HA LYS 9 HA LYS 9 12.114 8.094 5.429 64 1HB LYS 9 2HB LYS 9 12.367 5.966 7.489 65 2HB LYS 9 1HB LYS 9 13.830 6.842 7.060 66 1HG LYS 9 2HG LYS 9 12.854 7.916 8.945 67 2HG LYS 9 1HG LYS 9 12.622 8.964 7.547 68 1HD LYS 9 2HD LYS 9 10.570 8.969 8.723 69 2HD LYS 9 1HD LYS 9 10.325 7.933 7.316 70 1HE LYS 9 2HE LYS 9 10.724 5.959 8.727 71 2HE LYS 9 1HE LYS 9 10.924 7.011 10.126 72 1HZ LYS 9 1HZ LYS 9 8.642 7.775 9.815 73 2HZ LYS 9 2HZ LYS 9 8.702 6.101 10.052 74 3HZ LYS 9 3HZ LYS 9 8.455 6.728 8.500 75 H SER 10 H SER 10 13.283 4.734 5.674 76 HA SER 10 HA SER 10 15.518 5.131 4.023 77 1HB SER 10 2HB SER 10 14.031 2.567 4.636 78 2HB SER 10 1HB SER 10 15.641 2.661 3.922 79 HG SER 10 HG SER 10 15.771 4.134 6.057 80 H GLN 11 H GLN 11 15.899 3.966 1.941 81 HA GLN 11 HA GLN 11 13.967 4.835 0.026 82 1HB GLN 11 2HB GLN 11 16.384 4.917 -0.409 83 2HB GLN 11 1HB GLN 11 16.457 3.163 -0.341 84 1HG GLN 11 2HG GLN 11 14.987 3.028 -2.289 85 2HG GLN 11 1HG GLN 11 14.922 4.788 -2.357 86 1HE2 GLN 11 1HE2 GLN 11 15.805 4.869 -4.409 87 2HE2 GLN 11 2HE2 GLN 11 17.471 4.530 -4.717 88 H GLU 12 H GLU 12 15.162 1.641 1.041 89 HA GLU 12 HA GLU 12 13.537 0.116 -0.655 90 1HB GLU 12 2HB GLU 12 15.573 -0.485 0.943 91 2HB GLU 12 1HB GLU 12 14.271 -0.927 2.038 92 1HG GLU 12 2HG GLU 12 13.354 -2.377 0.219 93 2HG GLU 12 1HG GLU 12 14.826 -2.040 -0.690 94 H GLU 13 H GLU 13 12.841 1.750 2.318 95 HA GLU 13 HA GLU 13 10.455 0.216 2.872 96 1HB GLU 13 2HB GLU 13 11.444 2.787 4.113 97 2HB GLU 13 1HB GLU 13 10.117 1.804 4.713 98 1HG GLU 13 2HG GLU 13 11.717 -0.057 5.043 99 2HG GLU 13 1HG GLU 13 13.019 1.035 4.579 100 H ARG 14 H ARG 14 11.217 3.443 1.610 101 HA ARG 14 HA ARG 14 8.513 4.297 1.479 102 1HB ARG 14 2HB ARG 14 9.353 6.153 0.137 103 2HB ARG 14 1HB ARG 14 10.362 5.891 1.550 104 1HG ARG 14 2HG ARG 14 12.008 4.737 0.167 105 2HG ARG 14 1HG ARG 14 10.992 4.998 -1.254 106 1HD ARG 14 2HD ARG 14 11.203 7.400 -0.993 107 2HD ARG 14 1HD ARG 14 12.145 7.177 0.482 108 HE ARG 14 HE ARG 14 13.437 5.813 -1.584 109 1HH1 ARG 14 1HH1 ARG 14 12.644 9.083 -0.681 110 2HH1 ARG 14 2HH1 ARG 14 14.017 9.772 -1.480 111 1HH2 ARG 14 1HH2 ARG 14 15.248 6.712 -2.638 112 2HH2 ARG 14 2HH2 ARG 14 15.500 8.425 -2.587 113 H ASP 15 H ASP 15 10.673 2.790 -0.881 114 HA ASP 15 HA ASP 15 8.935 3.142 -3.083 115 1HB ASP 15 2HB ASP 15 11.173 1.168 -2.638 116 2HB ASP 15 1HB ASP 15 10.337 1.384 -4.170 117 H LYS 16 H LYS 16 9.387 0.428 -0.840 118 HA LYS 16 HA LYS 16 7.518 -1.224 -2.257 119 1HB LYS 16 2HB LYS 16 8.768 -1.597 0.461 120 2HB LYS 16 1HB LYS 16 7.861 -2.818 -0.424 121 1HG LYS 16 2HG LYS 16 9.675 -2.244 -2.284 122 2HG LYS 16 1HG LYS 16 10.609 -1.810 -0.853 123 1HD LYS 16 2HD LYS 16 11.071 -4.096 -1.339 124 2HD LYS 16 1HD LYS 16 10.035 -4.059 0.089 125 1HE LYS 16 2HE LYS 16 8.106 -4.620 -1.231 126 2HE LYS 16 1HE LYS 16 9.035 -4.485 -2.723 127 1HZ LYS 16 1HZ LYS 16 10.366 -6.371 -2.033 128 2HZ LYS 16 2HZ LYS 16 8.728 -6.792 -2.050 129 3HZ LYS 16 3HZ LYS 16 9.507 -6.490 -0.580 130 H VAL 17 H VAL 17 7.360 0.825 0.614 131 HA VAL 17 HA VAL 17 4.762 -0.169 1.352 132 HB VAL 17 HB VAL 17 6.219 2.274 2.364 133 1HG1 VAL 17 1HG1 VAL 17 4.609 2.069 4.267 134 2HG1 VAL 17 2HG1 VAL 17 3.720 0.879 3.313 135 3HG1 VAL 17 3HG1 VAL 17 3.867 2.540 2.737 136 1HG2 VAL 17 1HG2 VAL 17 7.366 0.132 2.814 137 2HG2 VAL 17 2HG2 VAL 17 5.901 -0.467 3.594 138 3HG2 VAL 17 3HG2 VAL 17 6.774 0.900 4.287 139 H ASN 18 H ASN 18 5.966 2.788 -0.232 140 HA ASN 18 HA ASN 18 3.511 4.128 -0.396 141 1HB ASN 18 2HB ASN 18 5.839 4.193 -2.318 142 2HB ASN 18 1HB ASN 18 4.490 5.314 -2.357 143 1HD2 ASN 18 1HD2 ASN 18 5.701 4.200 0.696 144 2HD2 ASN 18 2HD2 ASN 18 6.514 5.655 1.135 145 H VAL 19 H VAL 19 4.619 1.318 -1.955 146 HA VAL 19 HA VAL 19 2.735 1.546 -4.173 147 HB VAL 19 HB VAL 19 5.222 0.333 -3.959 148 1HG1 VAL 19 1HG1 VAL 19 4.882 -2.034 -4.328 149 2HG1 VAL 19 2HG1 VAL 19 3.141 -1.840 -4.135 150 3HG1 VAL 19 3HG1 VAL 19 4.216 -1.564 -2.764 151 1HG2 VAL 19 1HG2 VAL 19 3.031 0.041 -5.995 152 2HG2 VAL 19 2HG2 VAL 19 4.665 -0.573 -6.239 153 3HG2 VAL 19 3HG2 VAL 19 4.395 1.154 -6.016 154 H ASP 20 H ASP 20 3.202 -0.005 -1.111 155 HA ASP 20 HA ASP 20 1.153 -1.970 -1.366 156 1HB ASP 20 2HB ASP 20 2.975 -2.182 0.285 157 2HB ASP 20 1HB ASP 20 2.386 -0.747 1.120 158 H LEU 21 H LEU 21 1.359 1.302 -0.073 159 HA LEU 21 HA LEU 21 -1.389 1.350 0.752 160 1HB LEU 21 2HB LEU 21 -0.970 3.748 1.191 161 2HB LEU 21 1HB LEU 21 0.180 2.689 1.983 162 HG LEU 21 HG LEU 21 1.599 3.218 -0.205 163 1HD1 LEU 21 1HD1 LEU 21 -0.010 4.596 -1.305 164 2HD1 LEU 21 2HD1 LEU 21 1.327 5.615 -0.770 165 3HD1 LEU 21 3HD1 LEU 21 -0.192 5.609 0.127 166 1HD2 LEU 21 1HD2 LEU 21 1.348 5.049 2.177 167 2HD2 LEU 21 2HD2 LEU 21 2.727 4.970 1.081 168 3HD2 LEU 21 3HD2 LEU 21 2.323 3.582 2.090 169 H ALA 22 H ALA 22 0.490 2.294 -2.042 170 HA ALA 22 HA ALA 22 -1.239 3.967 -3.370 171 1HB ALA 22 1HB ALA 22 -0.278 2.993 -5.475 172 2HB ALA 22 2HB ALA 22 0.551 1.808 -4.467 173 3HB ALA 22 3HB ALA 22 0.916 3.524 -4.294 174 H ALA 23 H ALA 23 -1.175 0.423 -3.477 175 HA ALA 23 HA ALA 23 -3.477 0.137 -5.077 176 1HB ALA 23 1HB ALA 23 -3.403 -2.205 -4.442 177 2HB ALA 23 2HB ALA 23 -2.286 -1.837 -3.128 178 3HB ALA 23 3HB ALA 23 -1.777 -1.630 -4.803 179 H SER 24 H SER 24 -2.910 0.192 -1.602 180 HA SER 24 HA SER 24 -5.369 -0.641 -0.675 181 1HB SER 24 2HB SER 24 -3.718 1.586 0.517 182 2HB SER 24 1HB SER 24 -4.930 0.612 1.347 183 HG SER 24 HG SER 24 -3.024 -0.339 1.825 184 H GLY 25 H GLY 25 -4.479 2.660 -1.647 185 1HA GLY 25 2HA GLY 25 -6.953 3.800 -0.871 186 2HA GLY 25 1HA GLY 25 -5.760 4.542 -1.921 187 H VAL 26 H VAL 26 -5.724 2.717 -4.017 188 HA VAL 26 HA VAL 26 -7.773 3.702 -5.579 189 HB VAL 26 HB VAL 26 -7.194 1.751 -7.123 190 1HG1 VAL 26 1HG1 VAL 26 -4.919 2.814 -7.590 191 2HG1 VAL 26 2HG1 VAL 26 -5.282 3.876 -6.226 192 3HG1 VAL 26 3HG1 VAL 26 -6.333 3.869 -7.644 193 1HG2 VAL 26 1HG2 VAL 26 -5.012 1.435 -5.104 194 2HG2 VAL 26 2HG2 VAL 26 -5.086 0.652 -6.683 195 3HG2 VAL 26 3HG2 VAL 26 -6.284 0.265 -5.450 196 H ALA 27 H ALA 27 -7.619 0.248 -4.499 197 HA ALA 27 HA ALA 27 -10.421 -0.011 -5.254 198 1HB ALA 27 1HB ALA 27 -10.159 -2.279 -5.272 199 2HB ALA 27 2HB ALA 27 -8.934 -2.264 -4.002 200 3HB ALA 27 3HB ALA 27 -8.516 -1.755 -5.639 201 H TYR 28 H TYR 28 -8.507 -0.530 -2.292 202 HA TYR 28 HA TYR 28 -10.461 -1.432 -0.589 203 1HB TYR 28 2HB TYR 28 -7.867 -0.560 -0.295 204 2HB TYR 28 1HB TYR 28 -8.767 0.610 0.660 205 HD1 TYR 28 1HD TYR 28 -7.932 -0.027 2.811 206 HD2 TYR 28 2HD TYR 28 -9.697 -2.938 0.266 207 HE1 TYR 28 1HE TYR 28 -7.994 -1.615 4.675 208 HE2 TYR 28 2HE TYR 28 -9.759 -4.540 2.129 209 HH TYR 28 HH TYR 28 -9.236 -3.625 5.355 210 H LYS 29 H LYS 29 -9.911 1.879 -1.656 211 HA LYS 29 HA LYS 29 -11.753 3.030 0.184 212 1HB LYS 29 2HB LYS 29 -10.013 4.423 -0.684 213 2HB LYS 29 1HB LYS 29 -10.464 4.048 -2.340 214 1HG LYS 29 2HG LYS 29 -12.706 5.170 -1.778 215 2HG LYS 29 1HG LYS 29 -11.854 5.842 -0.391 216 1HD LYS 29 2HD LYS 29 -10.177 6.800 -1.911 217 2HD LYS 29 1HD LYS 29 -11.072 6.152 -3.287 218 1HE LYS 29 2HE LYS 29 -13.001 7.510 -2.693 219 2HE LYS 29 1HE LYS 29 -12.150 8.131 -1.280 220 1HZ LYS 29 1HZ LYS 29 -10.524 9.146 -2.746 221 2HZ LYS 29 2HZ LYS 29 -12.079 9.692 -3.122 222 3HZ LYS 29 3HZ LYS 29 -11.328 8.537 -4.105 223 H GLU 30 H GLU 30 -11.960 2.635 -3.359 224 HA GLU 30 HA GLU 30 -14.660 3.458 -3.486 225 1HB GLU 30 2HB GLU 30 -13.011 1.880 -5.462 226 2HB GLU 30 1HB GLU 30 -14.587 2.577 -5.806 227 1HG GLU 30 2HG GLU 30 -12.128 4.126 -5.027 228 2HG GLU 30 1HG GLU 30 -12.752 3.944 -6.665 229 H ARG 31 H ARG 31 -13.671 0.832 -1.936 230 HA ARG 31 HA ARG 31 -16.007 -0.740 -2.798 231 1HB ARG 31 2HB ARG 31 -13.226 -1.582 -2.187 232 2HB ARG 31 1HB ARG 31 -14.516 -2.644 -1.645 233 1HG ARG 31 2HG ARG 31 -13.831 -3.421 -3.767 234 2HG ARG 31 1HG ARG 31 -15.387 -2.625 -3.999 235 1HD ARG 31 2HD ARG 31 -14.187 -0.591 -4.739 236 2HD ARG 31 1HD ARG 31 -12.666 -1.470 -4.596 237 HE ARG 31 HE ARG 31 -14.332 -2.962 -6.245 238 1HH1 ARG 31 1HH1 ARG 31 -12.769 0.152 -6.266 239 2HH1 ARG 31 2HH1 ARG 31 -12.631 0.214 -7.991 240 1HH2 ARG 31 1HH2 ARG 31 -14.156 -2.888 -8.515 241 2HH2 ARG 31 2HH2 ARG 31 -13.420 -1.515 -9.270 242 H LEU 32 H LEU 32 -13.793 -0.579 -0.008 243 HA LEU 32 HA LEU 32 -16.008 -1.161 1.772 244 1HB LEU 32 2HB LEU 32 -13.148 -0.730 2.569 245 2HB LEU 32 1HB LEU 32 -14.379 -1.645 3.411 246 HG LEU 32 HG LEU 32 -13.095 -3.331 2.545 247 1HD1 LEU 32 1HD1 LEU 32 -14.199 -4.355 0.713 248 2HD1 LEU 32 2HD1 LEU 32 -14.885 -2.802 0.214 249 3HD1 LEU 32 3HD1 LEU 32 -15.402 -3.548 1.727 250 1HD2 LEU 32 1HD2 LEU 32 -11.692 -3.247 0.782 251 2HD2 LEU 32 2HD2 LEU 32 -11.787 -1.522 1.171 252 3HD2 LEU 32 3HD2 LEU 32 -12.744 -2.186 -0.153 253 H ASN 33 H ASN 33 -14.048 0.320 3.777 254 HA ASN 33 HA ASN 33 -15.188 2.990 3.371 255 1HB ASN 33 2HB ASN 33 -16.434 1.811 5.143 256 2HB ASN 33 1HB ASN 33 -14.928 1.526 6.009 257 1HD2 ASN 33 1HD2 ASN 33 -13.933 3.215 7.083 258 2HD2 ASN 33 2HD2 ASN 33 -14.734 4.713 7.398 259 H ILE 34 H ILE 34 -13.183 3.505 2.407 260 HA ILE 34 HA ILE 34 -11.076 4.005 4.399 261 HB ILE 34 HB ILE 34 -10.622 2.880 1.640 262 1HG1 ILE 34 2HG1 ILE 34 -9.224 1.270 3.125 263 2HG1 ILE 34 1HG1 ILE 34 -10.200 1.901 4.445 264 1HG2 ILE 34 1HG2 ILE 34 -9.030 4.658 1.990 265 2HG2 ILE 34 2HG2 ILE 34 -8.216 3.099 2.121 266 3HG2 ILE 34 3HG2 ILE 34 -8.614 4.012 3.577 267 1HD1 ILE 34 1HD1 ILE 34 -10.963 0.140 2.195 268 2HD1 ILE 34 2HD1 ILE 34 -12.163 1.293 2.775 269 3HD1 ILE 34 3HD1 ILE 34 -11.468 0.112 3.885 270 HA PRO 35 HA PRO 35 -11.870 7.977 2.409 271 1HB PRO 35 2HB PRO 35 -11.175 9.533 4.449 272 2HB PRO 35 1HB PRO 35 -12.655 8.563 4.528 273 1HG PRO 35 2HG PRO 35 -9.941 7.946 5.664 274 2HG PRO 35 1HG PRO 35 -11.521 7.884 6.478 275 1HD PRO 35 2HD PRO 35 -10.321 5.685 5.430 276 2HD PRO 35 1HD PRO 35 -12.085 5.874 5.493 277 H VAL 36 H VAL 36 -10.122 7.637 0.888 278 HA VAL 36 HA VAL 36 -7.794 9.261 1.519 279 HB VAL 36 HB VAL 36 -6.194 7.614 0.666 280 1HG1 VAL 36 1HG1 VAL 36 -6.308 6.018 2.596 281 2HG1 VAL 36 2HG1 VAL 36 -7.868 6.730 3.015 282 3HG1 VAL 36 3HG1 VAL 36 -6.409 7.721 3.041 283 1HG2 VAL 36 1HG2 VAL 36 -7.631 6.327 -0.769 284 2HG2 VAL 36 2HG2 VAL 36 -8.579 5.776 0.614 285 3HG2 VAL 36 3HG2 VAL 36 -6.903 5.257 0.429 286 H ILE 37 H ILE 37 -6.475 9.730 -0.433 287 HA ILE 37 HA ILE 37 -8.249 10.113 -2.719 288 HB ILE 37 HB ILE 37 -5.450 11.176 -2.339 289 1HG1 ILE 37 2HG1 ILE 37 -6.860 11.964 -0.513 290 2HG1 ILE 37 1HG1 ILE 37 -6.525 13.282 -1.629 291 1HG2 ILE 37 1HG2 ILE 37 -7.682 12.064 -4.160 292 2HG2 ILE 37 2HG2 ILE 37 -6.246 11.166 -4.647 293 3HG2 ILE 37 3HG2 ILE 37 -6.090 12.810 -4.029 294 1HD1 ILE 37 1HD1 ILE 37 -9.076 11.702 -1.422 295 2HD1 ILE 37 2HD1 ILE 37 -8.748 12.933 -2.642 296 3HD1 ILE 37 3HD1 ILE 37 -8.817 13.378 -0.937 297 H ALA 38 H ALA 38 -8.168 8.856 -4.477 298 HA ALA 38 HA ALA 38 -6.201 6.775 -4.699 299 1HB ALA 38 1HB ALA 38 -7.439 6.076 -6.672 300 2HB ALA 38 2HB ALA 38 -8.366 7.578 -6.643 301 3HB ALA 38 3HB ALA 38 -8.541 6.408 -5.335 302 H GLU 39 H GLU 39 -7.108 9.502 -6.826 303 HA GLU 39 HA GLU 39 -5.086 9.244 -8.690 304 1HB GLU 39 2HB GLU 39 -5.364 11.692 -9.093 305 2HB GLU 39 1HB GLU 39 -6.869 10.785 -9.080 306 1HG GLU 39 2HG GLU 39 -7.310 11.540 -6.803 307 2HG GLU 39 1HG GLU 39 -5.792 12.436 -6.805 308 H GLN 40 H GLN 40 -4.819 10.054 -5.433 309 HA GLN 40 HA GLN 40 -2.499 11.712 -5.514 310 1HB GLN 40 2HB GLN 40 -4.219 10.657 -3.518 311 2HB GLN 40 1HB GLN 40 -2.582 10.155 -3.117 312 1HG GLN 40 2HG GLN 40 -1.876 12.535 -3.323 313 2HG GLN 40 1HG GLN 40 -3.573 12.967 -3.531 314 1HE2 GLN 40 1HE2 GLN 40 -3.623 14.212 -1.677 315 2HE2 GLN 40 2HE2 GLN 40 -3.574 13.528 -0.092 316 H VAL 41 H VAL 41 -2.940 8.301 -4.623 317 HA VAL 41 HA VAL 41 -0.206 7.647 -4.540 318 HB VAL 41 HB VAL 41 -0.843 5.418 -4.312 319 1HG1 VAL 41 1HG1 VAL 41 -3.211 7.047 -3.404 320 2HG1 VAL 41 2HG1 VAL 41 -1.726 6.758 -2.497 321 3HG1 VAL 41 3HG1 VAL 41 -2.819 5.421 -2.849 322 1HG2 VAL 41 1HG2 VAL 41 -3.110 4.599 -5.060 323 2HG2 VAL 41 2HG2 VAL 41 -1.978 5.013 -6.346 324 3HG2 VAL 41 3HG2 VAL 41 -3.278 6.124 -5.926 325 H ALA 42 H ALA 42 -2.338 8.182 -7.116 326 HA ALA 42 HA ALA 42 -1.088 6.521 -9.053 327 1HB ALA 42 1HB ALA 42 -2.994 8.827 -9.338 328 2HB ALA 42 2HB ALA 42 -3.392 7.108 -9.298 329 3HB ALA 42 3HB ALA 42 -2.488 7.772 -10.660 330 H ARG 43 H ARG 43 -0.218 9.505 -7.672 331 HA ARG 43 HA ARG 43 1.041 10.658 -9.957 332 1HB ARG 43 2HB ARG 43 1.257 12.461 -8.642 333 2HB ARG 43 1HB ARG 43 0.317 11.570 -7.457 334 1HG ARG 43 2HG ARG 43 3.280 11.259 -7.521 335 2HG ARG 43 1HG ARG 43 2.566 12.689 -6.785 336 1HD ARG 43 2HD ARG 43 1.676 9.922 -6.041 337 2HD ARG 43 1HD ARG 43 3.083 10.671 -5.285 338 HE ARG 43 HE ARG 43 0.558 12.139 -5.243 339 1HH1 ARG 43 1HH1 ARG 43 2.947 10.253 -3.546 340 2HH1 ARG 43 2HH1 ARG 43 2.384 10.716 -1.975 341 1HH2 ARG 43 1HH2 ARG 43 -0.190 12.753 -3.182 342 2HH2 ARG 43 2HH2 ARG 43 0.598 12.135 -1.768 343 H GLU 44 H GLU 44 1.814 7.995 -8.138 344 HA GLU 44 HA GLU 44 4.670 8.291 -8.778 345 1HB GLU 44 2HB GLU 44 4.847 6.489 -6.827 346 2HB GLU 44 1HB GLU 44 4.908 8.219 -6.526 347 1HG GLU 44 2HG GLU 44 2.637 8.259 -5.836 348 2HG GLU 44 1HG GLU 44 2.385 6.606 -6.382 349 H GLN 45 H GLN 45 2.561 5.609 -7.789 350 HA GLN 45 HA GLN 45 2.377 3.468 -8.577 351 1HB GLN 45 2HB GLN 45 1.849 5.293 -10.704 352 2HB GLN 45 1HB GLN 45 2.696 3.908 -11.380 353 1HG GLN 45 2HG GLN 45 0.222 3.741 -9.677 354 2HG GLN 45 1HG GLN 45 0.241 3.693 -11.438 355 1HE2 GLN 45 1HE2 GLN 45 2.716 2.158 -11.535 356 2HE2 GLN 45 2HE2 GLN 45 2.296 0.542 -11.087 357 HA PRO 46 HA PRO 46 7.123 3.418 -8.928 358 1HB PRO 46 2HB PRO 46 6.420 1.170 -7.084 359 2HB PRO 46 1HB PRO 46 7.800 2.275 -7.035 360 1HG PRO 46 2HG PRO 46 5.745 2.634 -5.395 361 2HG PRO 46 1HG PRO 46 6.535 4.022 -6.166 362 1HD PRO 46 2HD PRO 46 3.911 2.754 -6.782 363 2HD PRO 46 1HD PRO 46 4.400 4.456 -6.901 364 H GLU 47 H GLU 47 8.093 2.303 -10.455 365 HA GLU 47 HA GLU 47 6.710 0.164 -11.820 366 1HB GLU 47 2HB GLU 47 7.852 1.799 -13.171 367 2HB GLU 47 1HB GLU 47 9.365 1.510 -12.324 368 1HG GLU 47 2HG GLU 47 9.400 0.454 -14.494 369 2HG GLU 47 1HG GLU 47 9.434 -0.762 -13.216 370 H ASN 48 H ASN 48 9.837 0.524 -10.168 371 HA ASN 48 HA ASN 48 10.629 -2.164 -10.386 372 1HB ASN 48 2HB ASN 48 11.394 -0.152 -8.259 373 2HB ASN 48 1HB ASN 48 12.266 -1.635 -8.640 374 1HD2 ASN 48 1HD2 ASN 48 13.415 -1.776 -10.581 375 2HD2 ASN 48 2HD2 ASN 48 13.867 -0.365 -11.472 376 H LEU 49 H LEU 49 8.115 -0.848 -8.653 377 HA LEU 49 HA LEU 49 8.005 -3.199 -6.889 378 1HB LEU 49 2HB LEU 49 7.382 -0.338 -6.191 379 2HB LEU 49 1HB LEU 49 6.733 -1.678 -5.268 380 HG LEU 49 HG LEU 49 8.611 -0.932 -4.065 381 1HD1 LEU 49 1HD1 LEU 49 9.541 -3.284 -5.701 382 2HD1 LEU 49 2HD1 LEU 49 8.491 -3.363 -4.288 383 3HD1 LEU 49 3HD1 LEU 49 10.154 -2.802 -4.119 384 1HD2 LEU 49 1HD2 LEU 49 10.752 -0.445 -4.976 385 2HD2 LEU 49 2HD2 LEU 49 9.560 0.392 -5.969 386 3HD2 LEU 49 3HD2 LEU 49 10.304 -1.098 -6.548 387 H ARG 50 H ARG 50 6.782 -2.121 -9.534 388 HA ARG 50 HA ARG 50 4.030 -1.769 -9.162 389 1HB ARG 50 2HB ARG 50 5.320 -1.321 -11.268 390 2HB ARG 50 1HB ARG 50 5.376 -3.057 -11.541 391 1HG ARG 50 2HG ARG 50 2.977 -3.155 -11.723 392 2HG ARG 50 1HG ARG 50 2.847 -1.442 -11.312 393 1HD ARG 50 2HD ARG 50 4.222 -0.938 -13.336 394 2HD ARG 50 1HD ARG 50 4.106 -2.643 -13.772 395 HE ARG 50 HE ARG 50 1.520 -1.901 -13.446 396 1HH1 ARG 50 1HH1 ARG 50 4.167 -0.631 -15.326 397 2HH1 ARG 50 2HH1 ARG 50 3.146 -0.006 -16.577 398 1HH2 ARG 50 1HH2 ARG 50 0.171 -1.083 -15.090 399 2HH2 ARG 50 2HH2 ARG 50 0.874 -0.262 -16.444 400 H THR 51 H THR 51 6.048 -4.554 -9.071 401 HA THR 51 HA THR 51 4.026 -6.517 -9.512 402 HB THR 51 HB THR 51 6.703 -6.772 -8.123 403 HG1 THR 51 1HG THR 51 6.336 -7.826 -10.654 404 1HG2 THR 51 1HG2 THR 51 6.488 -9.167 -8.601 405 2HG2 THR 51 2HG2 THR 51 4.871 -8.891 -9.249 406 3HG2 THR 51 3HG2 THR 51 5.198 -8.603 -7.541 407 H TYR 52 H TYR 52 5.601 -5.170 -6.636 408 HA TYR 52 HA TYR 52 4.299 -6.669 -4.688 409 1HB TYR 52 2HB TYR 52 6.283 -5.045 -4.481 410 2HB TYR 52 1HB TYR 52 5.077 -3.774 -4.350 411 HD1 TYR 52 1HD TYR 52 5.200 -3.021 -2.148 412 HD2 TYR 52 2HD TYR 52 5.104 -7.205 -2.905 413 HE1 TYR 52 1HE TYR 52 5.045 -3.445 0.260 414 HE2 TYR 52 2HE TYR 52 4.943 -7.642 -0.497 415 HH TYR 52 HH TYR 52 4.269 -5.205 1.780 416 H PHE 53 H PHE 53 3.461 -3.441 -5.956 417 HA PHE 53 HA PHE 53 1.138 -3.007 -4.538 418 1HB PHE 53 2HB PHE 53 1.691 -1.147 -5.692 419 2HB PHE 53 1HB PHE 53 2.265 -2.034 -7.094 420 HD1 PHE 53 1HD PHE 53 -0.288 0.046 -5.787 421 HD2 PHE 53 2HD PHE 53 0.425 -3.058 -8.615 422 HE1 PHE 53 1HE PHE 53 -2.349 0.658 -6.976 423 HE2 PHE 53 2HE PHE 53 -1.643 -2.448 -9.814 424 HZ PHE 53 HZ PHE 53 -2.950 -0.462 -9.053 425 H MET 54 H MET 54 1.658 -5.127 -7.269 426 HA MET 54 HA MET 54 -1.139 -5.572 -7.779 427 1HB MET 54 2HB MET 54 1.338 -7.076 -8.649 428 2HB MET 54 1HB MET 54 -0.289 -7.472 -9.184 429 1HG MET 54 2HG MET 54 0.950 -4.773 -9.594 430 2HG MET 54 1HG MET 54 1.111 -6.086 -10.755 431 1HE MET 54 1HE MET 54 -2.576 -6.674 -11.881 432 2HE MET 54 2HE MET 54 -1.700 -7.522 -10.605 433 3HE MET 54 3HE MET 54 -0.886 -7.119 -12.117 434 H GLU 55 H GLU 55 1.462 -7.235 -6.083 435 HA GLU 55 HA GLU 55 0.135 -9.578 -5.363 436 1HB GLU 55 2HB GLU 55 2.188 -8.018 -3.776 437 2HB GLU 55 1HB GLU 55 1.737 -9.688 -3.472 438 1HG GLU 55 2HG GLU 55 2.501 -10.205 -5.810 439 2HG GLU 55 1HG GLU 55 3.159 -8.572 -5.867 440 H ARG 56 H ARG 56 0.315 -6.459 -3.716 441 HA ARG 56 HA ARG 56 -1.491 -7.227 -1.640 442 1HB ARG 56 2HB ARG 56 0.255 -5.085 -2.096 443 2HB ARG 56 1HB ARG 56 -1.350 -4.363 -2.104 444 1HG ARG 56 2HG ARG 56 -0.475 -4.264 0.116 445 2HG ARG 56 1HG ARG 56 -1.788 -5.445 0.086 446 1HD ARG 56 2HD ARG 56 -0.157 -7.258 -0.064 447 2HD ARG 56 1HD ARG 56 1.158 -6.083 -0.049 448 HE ARG 56 HE ARG 56 -0.432 -5.689 2.225 449 1HH1 ARG 56 1HH1 ARG 56 1.780 -8.025 0.888 450 2HH1 ARG 56 2HH1 ARG 56 2.299 -8.609 2.434 451 1HH2 ARG 56 1HH2 ARG 56 0.244 -6.451 4.261 452 2HH2 ARG 56 2HH2 ARG 56 1.425 -7.716 4.350 453 H LEU 57 H LEU 57 -1.701 -5.629 -4.747 454 HA LEU 57 HA LEU 57 -4.257 -4.608 -4.678 455 1HB LEU 57 2HB LEU 57 -2.876 -4.136 -6.548 456 2HB LEU 57 1HB LEU 57 -2.712 -5.836 -6.942 457 HG LEU 57 HG LEU 57 -5.170 -5.865 -7.463 458 1HD1 LEU 57 1HD1 LEU 57 -6.169 -3.630 -7.978 459 2HD1 LEU 57 2HD1 LEU 57 -4.820 -2.896 -7.111 460 3HD1 LEU 57 3HD1 LEU 57 -5.940 -3.959 -6.262 461 1HD2 LEU 57 1HD2 LEU 57 -4.902 -4.774 -9.646 462 2HD2 LEU 57 2HD2 LEU 57 -3.504 -5.764 -9.226 463 3HD2 LEU 57 3HD2 LEU 57 -3.420 -4.009 -9.072 464 H ARG 58 H ARG 58 -3.248 -7.910 -5.436 465 HA ARG 58 HA ARG 58 -5.938 -8.784 -5.943 466 1HB ARG 58 2HB ARG 58 -4.913 -11.032 -6.099 467 2HB ARG 58 1HB ARG 58 -4.121 -9.841 -7.114 468 1HG ARG 58 2HG ARG 58 -2.312 -9.630 -5.522 469 2HG ARG 58 1HG ARG 58 -3.108 -10.778 -4.446 470 1HD ARG 58 2HD ARG 58 -2.957 -12.494 -6.210 471 2HD ARG 58 1HD ARG 58 -2.096 -11.341 -7.231 472 HE ARG 58 HE ARG 58 -0.686 -11.481 -4.859 473 1HH1 ARG 58 1HH1 ARG 58 -1.611 -13.665 -7.416 474 2HH1 ARG 58 2HH1 ARG 58 -0.223 -14.683 -7.219 475 1HH2 ARG 58 1HH2 ARG 58 1.140 -12.816 -4.598 476 2HH2 ARG 58 2HH2 ARG 58 1.340 -14.201 -5.620 477 H HIS 59 H HIS 59 -3.662 -8.917 -3.293 478 HA HIS 59 HA HIS 59 -5.076 -10.743 -1.672 479 1HB HIS 59 2HB HIS 59 -2.692 -10.137 -1.357 480 2HB HIS 59 1HB HIS 59 -3.196 -8.551 -0.784 481 HD1 HIS 59 1HD HIS 59 -3.085 -12.155 0.219 482 HD2 HIS 59 2HD HIS 59 -4.158 -8.480 1.835 483 HE1 HIS 59 1HE HIS 59 -3.383 -12.564 2.684 484 HE2 HIS 59 2HE HIS 59 -4.107 -10.343 3.628 485 H TYR 60 H TYR 60 -4.973 -7.168 -1.474 486 HA TYR 60 HA TYR 60 -6.947 -7.178 0.573 487 1HB TYR 60 2HB TYR 60 -6.748 -4.894 0.730 488 2HB TYR 60 1HB TYR 60 -5.153 -5.382 0.177 489 HD1 TYR 60 1HD TYR 60 -5.916 -5.860 -2.716 490 HD2 TYR 60 2HD TYR 60 -6.738 -2.687 -0.029 491 HE1 TYR 60 1HE TYR 60 -6.124 -4.321 -4.604 492 HE2 TYR 60 2HE TYR 60 -6.939 -1.150 -1.889 493 HH TYR 60 HH TYR 60 -6.352 -0.888 -4.156 494 H ARG 61 H ARG 61 -7.010 -7.228 -2.855 495 HA ARG 61 HA ARG 61 -9.651 -6.303 -3.212 496 1HB ARG 61 2HB ARG 61 -8.161 -6.614 -5.121 497 2HB ARG 61 1HB ARG 61 -8.072 -8.341 -4.805 498 1HG ARG 61 2HG ARG 61 -10.453 -8.556 -5.310 499 2HG ARG 61 1HG ARG 61 -10.540 -6.822 -5.628 500 1HD ARG 61 2HD ARG 61 -8.928 -7.077 -7.449 501 2HD ARG 61 1HD ARG 61 -8.836 -8.807 -7.128 502 HE ARG 61 HE ARG 61 -11.496 -8.297 -7.557 503 1HH1 ARG 61 1HH1 ARG 61 -8.548 -7.849 -9.362 504 2HH1 ARG 61 2HH1 ARG 61 -9.312 -8.042 -10.904 505 1HH2 ARG 61 1HH2 ARG 61 -12.509 -8.551 -9.584 506 2HH2 ARG 61 2HH2 ARG 61 -11.563 -8.434 -11.031 507 H GLN 62 H GLN 62 -8.245 -9.311 -2.225 508 HA GLN 62 HA GLN 62 -10.435 -11.031 -2.453 509 1HB GLN 62 2HB GLN 62 -8.237 -11.084 -0.393 510 2HB GLN 62 1HB GLN 62 -9.361 -12.397 -0.706 511 1HG GLN 62 2HG GLN 62 -7.095 -11.408 -2.359 512 2HG GLN 62 1HG GLN 62 -7.516 -13.042 -1.876 513 1HE2 GLN 62 1HE2 GLN 62 -6.895 -11.857 -4.506 514 2HE2 GLN 62 2HE2 GLN 62 -8.224 -12.280 -5.521 515 H LEU 63 H LEU 63 -9.392 -9.056 0.354 516 HA LEU 63 HA LEU 63 -11.875 -9.760 1.652 517 1HB LEU 63 2HB LEU 63 -11.018 -8.355 3.558 518 2HB LEU 63 1HB LEU 63 -10.229 -9.870 3.217 519 HG LEU 63 HG LEU 63 -8.750 -7.908 3.836 520 1HD1 LEU 63 1HD1 LEU 63 -7.008 -8.558 2.271 521 2HD1 LEU 63 2HD1 LEU 63 -8.206 -9.328 1.234 522 3HD1 LEU 63 3HD1 LEU 63 -7.890 -9.974 2.843 523 1HD2 LEU 63 1HD2 LEU 63 -9.702 -6.170 2.617 524 2HD2 LEU 63 2HD2 LEU 63 -9.709 -7.117 1.133 525 3HD2 LEU 63 3HD2 LEU 63 -8.180 -6.521 1.792 526 H SER 64 H SER 64 -10.811 -7.478 -0.414 527 HA SER 64 HA SER 64 -12.396 -5.256 0.411 528 1HB SER 64 2HB SER 64 -11.181 -6.065 -2.228 529 2HB SER 64 1HB SER 64 -12.307 -4.710 -2.146 530 HG SER 64 HG SER 64 -10.432 -3.737 -1.773 531 H LEU 65 H LEU 65 -12.952 -8.267 -0.961 532 HA LEU 65 HA LEU 65 -15.607 -7.677 -1.985 533 1HB LEU 65 2HB LEU 65 -14.209 -10.338 -1.659 534 2HB LEU 65 1HB LEU 65 -15.706 -10.063 -2.530 535 HG LEU 65 HG LEU 65 -13.016 -8.937 -3.303 536 1HD1 LEU 65 1HD1 LEU 65 -14.618 -11.160 -4.554 537 2HD1 LEU 65 2HD1 LEU 65 -13.159 -11.369 -3.585 538 3HD1 LEU 65 3HD1 LEU 65 -13.077 -10.525 -5.130 539 1HD2 LEU 65 1HD2 LEU 65 -14.131 -8.271 -5.366 540 2HD2 LEU 65 2HD2 LEU 65 -14.874 -7.499 -3.964 541 3HD2 LEU 65 3HD2 LEU 65 -15.666 -8.872 -4.736 542 H GLN 66 H GLN 66 -14.133 -9.627 0.606 543 HA GLN 66 HA GLN 66 -16.617 -10.288 1.801 544 1HB GLN 66 2HB GLN 66 -15.415 -11.502 3.326 545 2HB GLN 66 1HB GLN 66 -14.263 -11.406 2.006 546 1HG GLN 66 2HG GLN 66 -12.950 -10.963 3.839 547 2HG GLN 66 1HG GLN 66 -13.352 -9.341 3.277 548 1HE2 GLN 66 1HE2 GLN 66 -14.177 -7.978 4.691 549 2HE2 GLN 66 2HE2 GLN 66 -14.866 -8.385 6.223 550 H LEU 67 H LEU 67 -14.386 -7.612 2.349 551 HA LEU 67 HA LEU 67 -15.321 -6.742 4.822 552 1HB LEU 67 2HB LEU 67 -13.731 -5.612 2.668 553 2HB LEU 67 1HB LEU 67 -14.710 -4.398 3.467 554 HG LEU 67 HG LEU 67 -13.742 -5.384 5.666 555 1HD1 LEU 67 1HD1 LEU 67 -11.540 -6.350 5.466 556 2HD1 LEU 67 2HD1 LEU 67 -11.649 -6.293 3.706 557 3HD1 LEU 67 3HD1 LEU 67 -12.724 -7.349 4.625 558 1HD2 LEU 67 1HD2 LEU 67 -13.254 -3.141 4.768 559 2HD2 LEU 67 2HD2 LEU 67 -11.937 -3.828 3.815 560 3HD2 LEU 67 3HD2 LEU 67 -11.866 -3.866 5.578 561 HA PRO 68 HA PRO 68 -19.278 -4.931 4.389 562 1HB PRO 68 2HB PRO 68 -19.118 -2.423 5.360 563 2HB PRO 68 1HB PRO 68 -18.948 -3.855 6.393 564 1HG PRO 68 2HG PRO 68 -16.780 -2.242 5.074 565 2HG PRO 68 1HG PRO 68 -16.953 -2.642 6.803 566 1HD PRO 68 2HD PRO 68 -15.372 -4.101 5.283 567 2HD PRO 68 1HD PRO 68 -16.461 -4.915 6.425 568 H LYS 69 H LYS 69 -20.280 -2.510 3.849 569 HA LYS 69 HA LYS 69 -20.957 -1.202 2.121 570 1HB LYS 69 2HB LYS 69 -17.998 -1.146 1.508 571 2HB LYS 69 1HB LYS 69 -19.195 -0.031 0.863 572 1HG LYS 69 2HG LYS 69 -18.485 -0.343 3.774 573 2HG LYS 69 1HG LYS 69 -17.928 0.948 2.708 574 1HD LYS 69 2HD LYS 69 -20.307 1.586 2.340 575 2HD LYS 69 1HD LYS 69 -20.772 0.381 3.541 576 1HE LYS 69 2HE LYS 69 -19.413 1.550 5.221 577 2HE LYS 69 1HE LYS 69 -18.982 2.763 4.016 578 1HZ LYS 69 1HZ LYS 69 -21.347 3.318 3.824 579 2HZ LYS 69 2HZ LYS 69 -20.770 3.559 5.396 580 3HZ LYS 69 3HZ LYS 69 -21.713 2.200 5.041 581 H GLY 70 H GLY 70 -18.583 -1.726 -0.191 582 1HA GLY 70 2HA GLY 70 -20.396 -3.050 -1.945 583 2HA GLY 70 1HA GLY 70 -18.701 -2.710 -2.271 584 H SER 71 H SER 71 -20.985 -5.034 -1.046 585 HA SER 71 HA SER 71 -19.133 -7.177 -1.551 586 1HB SER 71 2HB SER 71 -19.212 -8.114 0.726 587 2HB SER 71 1HB SER 71 -18.444 -6.526 0.707 588 HG SER 71 HG SER 71 -19.847 -6.186 2.257 589 H ASP 72 H ASP 72 -20.354 -9.230 -0.220 590 HA ASP 72 HA ASP 72 -22.597 -9.756 -1.833 591 1HB ASP 72 2HB ASP 72 -21.731 -11.143 0.713 592 2HB ASP 72 1HB ASP 72 -22.857 -11.790 -0.475 593 HA PRO 73 HA PRO 73 -25.924 -7.700 0.247 594 1HB PRO 73 2HB PRO 73 -27.530 -10.088 -0.452 595 2HB PRO 73 1HB PRO 73 -27.800 -8.394 -0.833 596 1HG PRO 73 2HG PRO 73 -26.969 -10.131 -2.685 597 2HG PRO 73 1HG PRO 73 -26.454 -8.434 -2.681 598 1HD PRO 73 2HD PRO 73 -24.950 -10.872 -1.892 599 2HD PRO 73 1HD PRO 73 -24.378 -9.358 -2.612 600 H ALA 74 H ALA 74 -25.514 -11.178 0.829 601 HA ALA 74 HA ALA 74 -26.934 -11.045 3.337 602 1HB ALA 74 1HB ALA 74 -25.365 -13.335 2.165 603 2HB ALA 74 2HB ALA 74 -27.081 -13.033 1.901 604 3HB ALA 74 3HB ALA 74 -26.494 -13.419 3.518 605 H TYR 75 H TYR 75 -24.100 -9.829 2.644 606 HA TYR 75 HA TYR 75 -22.732 -10.810 5.052 607 1HB TYR 75 2HB TYR 75 -21.713 -10.486 2.579 608 2HB TYR 75 1HB TYR 75 -21.355 -8.917 3.278 609 HD1 TYR 75 1HD TYR 75 -19.752 -8.683 5.084 610 HD2 TYR 75 2HD TYR 75 -20.671 -12.511 3.468 611 HE1 TYR 75 1HE TYR 75 -17.781 -9.629 6.222 612 HE2 TYR 75 2HE TYR 75 -18.711 -13.467 4.602 613 HH TYR 75 HH TYR 75 -16.564 -12.723 5.509 614 H GLN 76 H GLN 76 -24.977 -9.197 5.243 615 HA GLN 76 HA GLN 76 -24.601 -6.468 5.479 616 1HB GLN 76 2HB GLN 76 -26.303 -8.119 7.341 617 2HB GLN 76 1HB GLN 76 -26.548 -6.444 6.866 618 1HG GLN 76 2HG GLN 76 -26.924 -7.218 4.541 619 2HG GLN 76 1HG GLN 76 -26.823 -8.877 5.124 620 1HE2 GLN 76 1HE2 GLN 76 -29.002 -7.331 3.866 621 2HE2 GLN 76 2HE2 GLN 76 -30.350 -7.489 4.936 622 H LYS 77 H LYS 77 -24.721 -5.259 7.605 623 HA LYS 77 HA LYS 77 -22.742 -6.355 9.489 624 1HB LYS 77 2HB LYS 77 -22.138 -3.872 9.849 625 2HB LYS 77 1HB LYS 77 -21.537 -4.677 8.408 626 1HG LYS 77 2HG LYS 77 -24.099 -3.145 8.302 627 2HG LYS 77 1HG LYS 77 -22.552 -2.300 8.232 628 1HD LYS 77 2HD LYS 77 -21.903 -3.690 6.304 629 2HD LYS 77 1HD LYS 77 -23.475 -4.487 6.365 630 1HE LYS 77 2HE LYS 77 -23.525 -2.787 4.665 631 2HE LYS 77 1HE LYS 77 -24.556 -2.289 6.006 632 1HZ LYS 77 1HZ LYS 77 -23.222 -0.450 5.246 633 2HZ LYS 77 2HZ LYS 77 -21.797 -1.331 5.470 634 3HZ LYS 77 3HZ LYS 77 -22.735 -0.887 6.806 635 H ASP 78 H ASP 78 -22.959 -5.763 11.681 636 HA ASP 78 HA ASP 78 -25.700 -5.421 12.498 637 1HB ASP 78 2HB ASP 78 -24.025 -6.977 13.599 638 2HB ASP 78 1HB ASP 78 -23.268 -5.542 14.285 639 H ASP 79 H ASP 79 -23.681 -3.224 11.395 640 HA ASP 79 HA ASP 79 -23.573 -1.245 13.414 641 1HB ASP 79 2HB ASP 79 -23.394 -1.043 10.403 642 2HB ASP 79 1HB ASP 79 -23.138 0.322 11.486 643 H ALA 80 H ALA 80 -25.487 -1.087 10.405 644 HA ALA 80 HA ALA 80 -27.954 -0.602 11.697 645 1HB ALA 80 1HB ALA 80 -26.887 1.510 12.316 646 2HB ALA 80 2HB ALA 80 -28.240 1.772 11.215 647 3HB ALA 80 3HB ALA 80 -26.584 1.858 10.614 648 H VAL 81 H VAL 81 -25.940 -0.720 8.931 649 HA VAL 81 HA VAL 81 -28.227 -0.471 7.111 650 HB VAL 81 HB VAL 81 -25.282 -0.647 6.450 651 1HG1 VAL 81 1HG1 VAL 81 -27.660 0.002 4.710 652 2HG1 VAL 81 2HG1 VAL 81 -26.695 -1.473 4.647 653 3HG1 VAL 81 3HG1 VAL 81 -25.970 0.075 4.211 654 1HG2 VAL 81 1HG2 VAL 81 -25.800 1.409 7.643 655 2HG2 VAL 81 2HG2 VAL 81 -27.127 1.740 6.530 656 3HG2 VAL 81 3HG2 VAL 81 -25.462 1.749 5.945 657 H LYS 82 H LYS 82 -28.920 -2.114 5.831 658 HA LYS 82 HA LYS 82 -27.865 -4.784 6.453 659 1HB LYS 82 2HB LYS 82 -30.509 -4.013 5.205 660 2HB LYS 82 1HB LYS 82 -30.022 -5.632 5.685 661 1HG LYS 82 2HG LYS 82 -30.148 -5.119 7.965 662 2HG LYS 82 1HG LYS 82 -30.169 -3.380 7.658 663 1HD LYS 82 2HD LYS 82 -32.387 -3.948 8.217 664 2HD LYS 82 1HD LYS 82 -32.377 -3.771 6.463 665 1HE LYS 82 2HE LYS 82 -32.052 -6.427 7.840 666 2HE LYS 82 1HE LYS 82 -33.626 -5.770 7.392 667 1HZ LYS 82 1HZ LYS 82 -32.887 -7.230 5.677 668 2HZ LYS 82 2HZ LYS 82 -31.393 -6.448 5.559 669 3HZ LYS 82 3HZ LYS 82 -32.804 -5.652 5.075 670 H LYS 83 H LYS 83 -26.287 -5.241 5.010 671 HA LYS 83 HA LYS 83 -26.844 -5.953 2.389 672 1HB LYS 83 2HB LYS 83 -27.121 -3.533 1.991 673 2HB LYS 83 1HB LYS 83 -25.486 -3.254 2.574 674 1HG LYS 83 2HG LYS 83 -24.571 -4.506 0.722 675 2HG LYS 83 1HG LYS 83 -26.194 -4.918 0.165 676 1HD LYS 83 2HD LYS 83 -25.358 -3.106 -1.174 677 2HD LYS 83 1HD LYS 83 -26.645 -2.491 -0.136 678 1HE LYS 83 2HE LYS 83 -24.974 -1.606 1.414 679 2HE LYS 83 1HE LYS 83 -23.683 -2.237 0.391 680 1HZ LYS 83 1HZ LYS 83 -25.673 -0.186 -0.419 681 2HZ LYS 83 2HZ LYS 83 -24.413 -0.774 -1.380 682 3HZ LYS 83 3HZ LYS 83 -24.067 0.122 0.012 Start of MODEL 5 1 1H MET 1 1HT MET 1 -6.957 13.267 4.734 2 2H MET 1 2HT MET 1 -5.396 13.509 5.338 3 3H MET 1 3HT MET 1 -5.713 12.200 4.317 4 HA MET 1 HA MET 1 -6.186 13.668 2.489 5 1HB MET 1 2HB MET 1 -5.414 15.865 4.422 6 2HB MET 1 1HB MET 1 -5.799 16.078 2.719 7 1HG MET 1 2HG MET 1 -7.688 15.105 4.849 8 2HG MET 1 1HG MET 1 -7.663 16.717 4.139 9 1HE MET 1 1HE MET 1 -10.255 14.781 4.302 10 2HE MET 1 2HE MET 1 -10.960 15.096 2.717 11 3HE MET 1 3HE MET 1 -10.284 16.423 3.661 12 H TYR 2 H TYR 2 -3.655 14.274 4.911 13 HA TYR 2 HA TYR 2 -1.614 14.456 2.868 14 1HB TYR 2 2HB TYR 2 -1.730 14.842 5.815 15 2HB TYR 2 1HB TYR 2 -0.174 14.400 5.122 16 HD1 TYR 2 1HD TYR 2 -2.952 16.710 4.141 17 HD2 TYR 2 2HD TYR 2 1.216 16.212 4.834 18 HE1 TYR 2 1HE TYR 2 -2.575 19.057 3.518 19 HE2 TYR 2 2HE TYR 2 1.605 18.558 4.216 20 HH TYR 2 HH TYR 2 -0.915 20.817 3.889 21 H ASP 3 H ASP 3 0.537 13.183 3.966 22 HA ASP 3 HA ASP 3 0.122 10.505 3.140 23 1HB ASP 3 2HB ASP 3 2.466 11.659 4.665 24 2HB ASP 3 1HB ASP 3 2.454 10.148 3.761 25 H TRP 4 H TRP 4 0.897 8.624 4.534 26 HA TRP 4 HA TRP 4 0.318 8.879 7.363 27 1HB TRP 4 2HB TRP 4 -1.372 7.046 7.312 28 2HB TRP 4 1HB TRP 4 -1.914 8.523 6.522 29 HD1 TRP 4 HD TRP 4 -0.969 4.901 5.780 30 HE1 TRP 4 1HE TRP 4 -1.743 4.314 3.396 31 HE3 TRP 4 3HE TRP 4 -2.390 9.553 4.217 32 HZ2 TRP 4 2HZ TRP 4 -2.814 5.645 1.151 33 HZ3 TRP 4 3HZ TRP 4 -3.280 9.812 1.937 34 HH2 TRP 4 HH TRP 4 -3.487 7.896 0.436 35 H ASN 5 H ASN 5 1.653 7.247 4.671 36 HA ASN 5 HA ASN 5 2.558 4.954 6.207 37 1HB ASN 5 2HB ASN 5 2.660 5.768 3.337 38 2HB ASN 5 1HB ASN 5 3.854 4.611 3.918 39 1HD2 ASN 5 1HD2 ASN 5 3.170 2.601 4.671 40 2HD2 ASN 5 2HD2 ASN 5 1.619 1.961 4.265 41 H ILE 6 H ILE 6 3.443 7.365 7.259 42 HA ILE 6 HA ILE 6 6.116 7.930 6.362 43 HB ILE 6 HB ILE 6 4.923 8.789 8.988 44 1HG1 ILE 6 2HG1 ILE 6 4.626 10.206 6.333 45 2HG1 ILE 6 1HG1 ILE 6 3.355 9.249 7.085 46 1HG2 ILE 6 1HG2 ILE 6 7.290 9.234 8.704 47 2HG2 ILE 6 2HG2 ILE 6 6.379 10.743 8.658 48 3HG2 ILE 6 3HG2 ILE 6 6.977 10.027 7.161 49 1HD1 ILE 6 1HD1 ILE 6 2.979 11.581 7.511 50 2HD1 ILE 6 2HD1 ILE 6 4.600 11.756 8.181 51 3HD1 ILE 6 3HD1 ILE 6 3.402 10.771 9.020 52 H ALA 7 H ALA 7 4.764 5.504 8.217 53 HA ALA 7 HA ALA 7 6.587 5.147 10.305 54 1HB ALA 7 1HB ALA 7 4.471 3.934 10.160 55 2HB ALA 7 2HB ALA 7 5.830 2.828 10.358 56 3HB ALA 7 3HB ALA 7 5.082 3.031 8.775 57 H ALA 8 H ALA 8 6.890 4.564 6.919 58 HA ALA 8 HA ALA 8 8.916 2.657 6.895 59 1HB ALA 8 1HB ALA 8 9.386 3.429 4.623 60 2HB ALA 8 2HB ALA 8 8.391 4.857 4.907 61 3HB ALA 8 3HB ALA 8 7.653 3.256 4.905 62 H LYS 9 H LYS 9 11.103 2.746 7.071 63 HA LYS 9 HA LYS 9 12.265 5.367 7.762 64 1HB LYS 9 2HB LYS 9 12.326 2.853 9.130 65 2HB LYS 9 1HB LYS 9 13.961 3.263 8.635 66 1HG LYS 9 2HG LYS 9 13.598 4.104 10.839 67 2HG LYS 9 1HG LYS 9 13.686 5.474 9.730 68 1HD LYS 9 2HD LYS 9 10.984 4.397 10.181 69 2HD LYS 9 1HD LYS 9 11.744 5.128 11.594 70 1HE LYS 9 2HE LYS 9 12.162 7.170 10.305 71 2HE LYS 9 1HE LYS 9 11.394 6.435 8.896 72 1HZ LYS 9 1HZ LYS 9 10.062 6.987 11.493 73 2HZ LYS 9 2HZ LYS 9 9.328 6.303 10.130 74 3HZ LYS 9 3HZ LYS 9 9.881 7.901 10.079 75 H SER 10 H SER 10 13.168 2.195 6.403 76 HA SER 10 HA SER 10 15.423 3.335 5.007 77 1HB SER 10 2HB SER 10 15.616 1.067 5.867 78 2HB SER 10 1HB SER 10 14.209 0.562 4.930 79 HG SER 10 HG SER 10 16.749 1.366 3.965 80 H GLN 11 H GLN 11 15.420 4.151 3.034 81 HA GLN 11 HA GLN 11 13.241 4.802 1.553 82 1HB GLN 11 2HB GLN 11 15.474 5.676 1.100 83 2HB GLN 11 1HB GLN 11 15.982 4.108 0.490 84 1HG GLN 11 2HG GLN 11 14.253 4.317 -1.292 85 2HG GLN 11 1HG GLN 11 13.947 5.960 -0.727 86 1HE2 GLN 11 1HE2 GLN 11 14.587 6.894 -2.651 87 2HE2 GLN 11 2HE2 GLN 11 16.237 6.947 -3.160 88 H GLU 12 H GLU 12 15.006 1.751 1.429 89 HA GLU 12 HA GLU 12 13.800 0.680 -0.867 90 1HB GLU 12 2HB GLU 12 14.765 -0.784 1.601 91 2HB GLU 12 1HB GLU 12 14.443 -1.519 0.038 92 1HG GLU 12 2HG GLU 12 16.541 0.567 0.589 93 2HG GLU 12 1HG GLU 12 16.829 -1.165 0.422 94 H GLU 13 H GLU 13 12.859 0.595 2.535 95 HA GLU 13 HA GLU 13 10.516 -0.973 2.121 96 1HB GLU 13 2HB GLU 13 11.092 0.891 4.429 97 2HB GLU 13 1HB GLU 13 9.987 -0.478 4.418 98 1HG GLU 13 2HG GLU 13 11.874 -2.002 4.159 99 2HG GLU 13 1HG GLU 13 12.982 -0.633 4.165 100 H ARG 14 H ARG 14 11.290 2.385 1.838 101 HA ARG 14 HA ARG 14 8.676 3.441 2.152 102 1HB ARG 14 2HB ARG 14 11.043 4.576 0.653 103 2HB ARG 14 1HB ARG 14 9.596 5.466 1.101 104 1HG ARG 14 2HG ARG 14 10.128 5.067 3.473 105 2HG ARG 14 1HG ARG 14 11.614 4.260 2.978 106 1HD ARG 14 2HD ARG 14 12.351 6.312 1.874 107 2HD ARG 14 1HD ARG 14 10.872 7.121 2.388 108 HE ARG 14 HE ARG 14 12.082 6.131 4.677 109 1HH1 ARG 14 1HH1 ARG 14 12.823 8.424 2.159 110 2HH1 ARG 14 2HH1 ARG 14 13.798 9.425 3.181 111 1HH2 ARG 14 1HH2 ARG 14 13.362 7.448 6.030 112 2HH2 ARG 14 2HH2 ARG 14 14.101 8.874 5.381 113 H ASP 15 H ASP 15 10.581 2.557 -0.710 114 HA ASP 15 HA ASP 15 8.723 3.396 -2.638 115 1HB ASP 15 2HB ASP 15 10.833 1.234 -2.744 116 2HB ASP 15 1HB ASP 15 9.906 1.764 -4.145 117 H LYS 16 H LYS 16 9.243 0.173 -1.218 118 HA LYS 16 HA LYS 16 7.197 -1.135 -2.622 119 1HB LYS 16 2HB LYS 16 8.050 -1.851 0.176 120 2HB LYS 16 1HB LYS 16 7.454 -2.923 -1.083 121 1HG LYS 16 2HG LYS 16 9.543 -2.302 -2.386 122 2HG LYS 16 1HG LYS 16 10.132 -1.595 -0.884 123 1HD LYS 16 2HD LYS 16 10.987 -3.821 -1.026 124 2HD LYS 16 1HD LYS 16 9.737 -3.799 0.221 125 1HE LYS 16 2HE LYS 16 8.150 -4.800 -1.260 126 2HE LYS 16 1HE LYS 16 9.247 -4.641 -2.631 127 1HZ LYS 16 1HZ LYS 16 10.734 -6.220 -1.604 128 2HZ LYS 16 2HZ LYS 16 9.191 -6.902 -1.738 129 3HZ LYS 16 3HZ LYS 16 9.737 -6.337 -0.241 130 H VAL 17 H VAL 17 7.177 0.136 0.684 131 HA VAL 17 HA VAL 17 4.504 -0.436 1.262 132 HB VAL 17 HB VAL 17 6.403 0.320 2.814 133 1HG1 VAL 17 1HG1 VAL 17 6.678 2.422 1.581 134 2HG1 VAL 17 2HG1 VAL 17 6.473 2.632 3.321 135 3HG1 VAL 17 3HG1 VAL 17 5.129 2.947 2.220 136 1HG2 VAL 17 1HG2 VAL 17 3.560 1.251 3.178 137 2HG2 VAL 17 2HG2 VAL 17 4.755 1.139 4.470 138 3HG2 VAL 17 3HG2 VAL 17 4.221 -0.320 3.634 139 H ASN 18 H ASN 18 5.973 2.360 -0.257 140 HA ASN 18 HA ASN 18 3.720 4.043 -0.304 141 1HB ASN 18 2HB ASN 18 6.170 3.840 -2.043 142 2HB ASN 18 1HB ASN 18 4.906 5.008 -2.400 143 1HD2 ASN 18 1HD2 ASN 18 5.667 4.089 0.865 144 2HD2 ASN 18 2HD2 ASN 18 6.445 5.562 1.316 145 H VAL 19 H VAL 19 4.761 1.427 -2.371 146 HA VAL 19 HA VAL 19 2.710 1.871 -4.343 147 HB VAL 19 HB VAL 19 5.100 0.524 -4.385 148 1HG1 VAL 19 1HG1 VAL 19 4.062 -1.357 -3.135 149 2HG1 VAL 19 2HG1 VAL 19 4.699 -1.811 -4.714 150 3HG1 VAL 19 3HG1 VAL 19 2.964 -1.595 -4.493 151 1HG2 VAL 19 1HG2 VAL 19 4.369 -0.256 -6.635 152 2HG2 VAL 19 2HG2 VAL 19 4.057 1.451 -6.326 153 3HG2 VAL 19 3HG2 VAL 19 2.738 0.286 -6.237 154 H ASP 20 H ASP 20 2.996 0.316 -1.321 155 HA ASP 20 HA ASP 20 0.994 -1.693 -1.657 156 1HB ASP 20 2HB ASP 20 2.807 -1.770 0.071 157 2HB ASP 20 1HB ASP 20 2.007 -0.442 0.905 158 H LEU 21 H LEU 21 1.078 1.609 -0.397 159 HA LEU 21 HA LEU 21 -1.658 1.592 0.436 160 1HB LEU 21 2HB LEU 21 -1.365 4.014 0.737 161 2HB LEU 21 1HB LEU 21 -0.079 3.101 1.502 162 HG LEU 21 HG LEU 21 1.201 3.586 -0.732 163 1HD1 LEU 21 1HD1 LEU 21 0.613 5.865 -1.577 164 2HD1 LEU 21 2HD1 LEU 21 -0.907 5.730 -0.693 165 3HD1 LEU 21 3HD1 LEU 21 -0.539 4.598 -1.992 166 1HD2 LEU 21 1HD2 LEU 21 2.099 5.642 0.262 167 2HD2 LEU 21 2HD2 LEU 21 1.914 4.354 1.453 168 3HD2 LEU 21 3HD2 LEU 21 0.745 5.673 1.391 169 H ALA 22 H ALA 22 0.108 2.274 -2.456 170 HA ALA 22 HA ALA 22 -1.742 3.787 -3.878 171 1HB ALA 22 1HB ALA 22 0.092 1.689 -5.028 172 2HB ALA 22 2HB ALA 22 0.604 3.312 -4.564 173 3HB ALA 22 3HB ALA 22 -0.575 3.096 -5.857 174 H ALA 23 H ALA 23 -1.404 0.275 -3.591 175 HA ALA 23 HA ALA 23 -3.611 -0.313 -5.306 176 1HB ALA 23 1HB ALA 23 -2.351 -2.116 -3.244 177 2HB ALA 23 2HB ALA 23 -1.709 -1.867 -4.866 178 3HB ALA 23 3HB ALA 23 -3.300 -2.596 -4.653 179 H SER 24 H SER 24 -3.232 0.418 -1.946 180 HA SER 24 HA SER 24 -5.697 -0.726 -1.062 181 1HB SER 24 2HB SER 24 -3.795 -0.242 0.468 182 2HB SER 24 1HB SER 24 -4.102 1.481 0.249 183 HG SER 24 HG SER 24 -6.399 0.367 0.891 184 H GLY 25 H GLY 25 -4.762 2.723 -1.425 185 1HA GLY 25 2HA GLY 25 -7.306 3.760 -0.956 186 2HA GLY 25 1HA GLY 25 -6.040 4.562 -1.873 187 H VAL 26 H VAL 26 -5.763 2.899 -4.032 188 HA VAL 26 HA VAL 26 -7.767 3.789 -5.730 189 HB VAL 26 HB VAL 26 -5.817 1.512 -6.064 190 1HG1 VAL 26 1HG1 VAL 26 -7.708 1.102 -7.532 191 2HG1 VAL 26 2HG1 VAL 26 -6.317 1.636 -8.474 192 3HG1 VAL 26 3HG1 VAL 26 -7.632 2.759 -8.129 193 1HG2 VAL 26 1HG2 VAL 26 -5.848 4.322 -7.160 194 2HG2 VAL 26 2HG2 VAL 26 -4.611 3.102 -7.468 195 3HG2 VAL 26 3HG2 VAL 26 -4.836 3.740 -5.839 196 H ALA 27 H ALA 27 -7.297 0.413 -4.599 197 HA ALA 27 HA ALA 27 -9.936 -0.282 -5.591 198 1HB ALA 27 1HB ALA 27 -8.035 -1.787 -5.957 199 2HB ALA 27 2HB ALA 27 -9.350 -2.565 -5.077 200 3HB ALA 27 3HB ALA 27 -7.907 -2.028 -4.215 201 H TYR 28 H TYR 28 -8.290 -0.592 -2.428 202 HA TYR 28 HA TYR 28 -10.390 -1.571 -0.960 203 1HB TYR 28 2HB TYR 28 -7.836 -0.532 -0.397 204 2HB TYR 28 1HB TYR 28 -8.952 0.329 0.658 205 HD1 TYR 28 1HD TYR 28 -7.854 -0.723 2.638 206 HD2 TYR 28 2HD TYR 28 -9.769 -3.059 -0.365 207 HE1 TYR 28 1HE TYR 28 -7.841 -2.659 4.152 208 HE2 TYR 28 2HE TYR 28 -9.768 -4.999 1.143 209 HH TYR 28 HH TYR 28 -9.133 -4.770 4.445 210 H LYS 29 H LYS 29 -9.704 1.913 -1.497 211 HA LYS 29 HA LYS 29 -11.800 2.845 0.120 212 1HB LYS 29 2HB LYS 29 -10.221 4.457 -0.566 213 2HB LYS 29 1HB LYS 29 -10.406 4.041 -2.260 214 1HG LYS 29 2HG LYS 29 -11.402 6.229 -1.606 215 2HG LYS 29 1HG LYS 29 -12.517 5.115 -2.394 216 1HD LYS 29 2HD LYS 29 -13.543 4.563 -0.298 217 2HD LYS 29 1HD LYS 29 -12.318 5.455 0.596 218 1HE LYS 29 2HE LYS 29 -14.252 6.683 -1.363 219 2HE LYS 29 1HE LYS 29 -14.473 6.665 0.387 220 1HZ LYS 29 1HZ LYS 29 -13.531 8.757 -0.361 221 2HZ LYS 29 2HZ LYS 29 -12.219 7.950 -1.060 222 3HZ LYS 29 3HZ LYS 29 -12.425 7.932 0.619 223 H GLU 30 H GLU 30 -11.768 2.121 -3.364 224 HA GLU 30 HA GLU 30 -14.487 2.822 -3.766 225 1HB GLU 30 2HB GLU 30 -12.647 1.076 -5.408 226 2HB GLU 30 1HB GLU 30 -14.236 1.616 -5.932 227 1HG GLU 30 2HG GLU 30 -13.455 3.958 -5.711 228 2HG GLU 30 1HG GLU 30 -11.845 3.344 -5.339 229 H ARG 31 H ARG 31 -13.482 0.566 -1.781 230 HA ARG 31 HA ARG 31 -15.647 -1.305 -2.471 231 1HB ARG 31 2HB ARG 31 -13.006 -1.874 -1.118 232 2HB ARG 31 1HB ARG 31 -14.330 -3.026 -1.200 233 1HG ARG 31 2HG ARG 31 -12.848 -1.860 -3.548 234 2HG ARG 31 1HG ARG 31 -12.658 -3.488 -2.897 235 1HD ARG 31 2HD ARG 31 -15.016 -3.950 -3.425 236 2HD ARG 31 1HD ARG 31 -15.164 -2.338 -4.120 237 HE ARG 31 HE ARG 31 -13.061 -3.915 -5.285 238 1HH1 ARG 31 1HH1 ARG 31 -16.457 -3.140 -5.387 239 2HH1 ARG 31 2HH1 ARG 31 -16.647 -3.612 -7.042 240 1HH2 ARG 31 1HH2 ARG 31 -13.303 -4.542 -7.467 241 2HH2 ARG 31 2HH2 ARG 31 -14.855 -4.408 -8.224 242 H LEU 32 H LEU 32 -13.664 -0.546 0.404 243 HA LEU 32 HA LEU 32 -16.028 -0.770 2.084 244 1HB LEU 32 2HB LEU 32 -13.234 -0.239 3.034 245 2HB LEU 32 1HB LEU 32 -14.548 -1.002 3.905 246 HG LEU 32 HG LEU 32 -13.363 -2.866 3.515 247 1HD1 LEU 32 1HD1 LEU 32 -13.807 -4.044 1.420 248 2HD1 LEU 32 2HD1 LEU 32 -14.471 -2.559 0.739 249 3HD1 LEU 32 3HD1 LEU 32 -15.265 -3.326 2.110 250 1HD2 LEU 32 1HD2 LEU 32 -11.768 -3.048 1.557 251 2HD2 LEU 32 2HD2 LEU 32 -11.383 -1.884 2.825 252 3HD2 LEU 32 3HD2 LEU 32 -12.079 -1.331 1.301 253 H ASN 33 H ASN 33 -14.078 1.048 3.871 254 HA ASN 33 HA ASN 33 -14.911 3.625 2.759 255 1HB ASN 33 2HB ASN 33 -16.432 2.910 4.626 256 2HB ASN 33 1HB ASN 33 -15.033 2.902 5.697 257 1HD2 ASN 33 1HD2 ASN 33 -14.078 4.853 6.279 258 2HD2 ASN 33 2HD2 ASN 33 -14.884 6.366 6.072 259 H ILE 34 H ILE 34 -12.730 3.638 1.971 260 HA ILE 34 HA ILE 34 -10.705 4.137 4.066 261 HB ILE 34 HB ILE 34 -10.395 3.009 1.292 262 1HG1 ILE 34 2HG1 ILE 34 -9.096 1.275 2.543 263 2HG1 ILE 34 1HG1 ILE 34 -9.570 2.074 4.039 264 1HG2 ILE 34 1HG2 ILE 34 -8.677 4.588 1.316 265 2HG2 ILE 34 2HG2 ILE 34 -7.916 3.064 1.767 266 3HG2 ILE 34 3HG2 ILE 34 -8.286 4.265 3.006 267 1HD1 ILE 34 1HD1 ILE 34 -11.529 0.990 2.042 268 2HD1 ILE 34 2HD1 ILE 34 -11.853 1.556 3.680 269 3HD1 ILE 34 3HD1 ILE 34 -10.924 0.079 3.425 270 HA PRO 35 HA PRO 35 -11.583 8.243 2.204 271 1HB PRO 35 2HB PRO 35 -10.904 9.667 4.397 272 2HB PRO 35 1HB PRO 35 -12.474 8.866 4.240 273 1HG PRO 35 2HG PRO 35 -9.989 7.872 5.613 274 2HG PRO 35 1HG PRO 35 -11.648 7.955 6.253 275 1HD PRO 35 2HD PRO 35 -10.681 5.672 5.270 276 2HD PRO 35 1HD PRO 35 -12.362 6.152 4.951 277 H VAL 36 H VAL 36 -9.676 7.729 0.833 278 HA VAL 36 HA VAL 36 -7.456 9.462 1.581 279 HB VAL 36 HB VAL 36 -5.751 7.867 0.956 280 1HG1 VAL 36 1HG1 VAL 36 -6.255 7.849 3.274 281 2HG1 VAL 36 2HG1 VAL 36 -6.095 6.164 2.781 282 3HG1 VAL 36 3HG1 VAL 36 -7.696 6.864 3.026 283 1HG2 VAL 36 1HG2 VAL 36 -6.888 6.592 -0.712 284 2HG2 VAL 36 2HG2 VAL 36 -8.054 5.995 0.465 285 3HG2 VAL 36 3HG2 VAL 36 -6.369 5.485 0.558 286 H ILE 37 H ILE 37 -6.111 10.063 -0.260 287 HA ILE 37 HA ILE 37 -7.722 10.382 -2.646 288 HB ILE 37 HB ILE 37 -4.907 11.358 -2.169 289 1HG1 ILE 37 2HG1 ILE 37 -6.373 12.184 -0.391 290 2HG1 ILE 37 1HG1 ILE 37 -5.913 13.490 -1.476 291 1HG2 ILE 37 1HG2 ILE 37 -5.565 13.076 -3.849 292 2HG2 ILE 37 2HG2 ILE 37 -7.054 12.171 -4.116 293 3HG2 ILE 37 3HG2 ILE 37 -5.495 11.433 -4.484 294 1HD1 ILE 37 1HD1 ILE 37 -8.237 13.678 -0.872 295 2HD1 ILE 37 2HD1 ILE 37 -8.547 12.039 -1.445 296 3HD1 ILE 37 3HD1 ILE 37 -8.092 13.301 -2.590 297 H ALA 38 H ALA 38 -7.619 9.083 -4.374 298 HA ALA 38 HA ALA 38 -5.650 6.991 -4.506 299 1HB ALA 38 1HB ALA 38 -7.785 7.731 -6.505 300 2HB ALA 38 2HB ALA 38 -7.986 6.603 -5.164 301 3HB ALA 38 3HB ALA 38 -6.860 6.230 -6.468 302 H GLU 39 H GLU 39 -6.563 9.624 -6.733 303 HA GLU 39 HA GLU 39 -4.497 9.409 -8.519 304 1HB GLU 39 2HB GLU 39 -4.729 11.922 -8.831 305 2HB GLU 39 1HB GLU 39 -6.177 10.950 -9.045 306 1HG GLU 39 2HG GLU 39 -6.891 11.544 -6.772 307 2HG GLU 39 1HG GLU 39 -5.453 12.549 -6.598 308 H GLN 40 H GLN 40 -4.249 10.296 -5.240 309 HA GLN 40 HA GLN 40 -1.857 11.849 -5.371 310 1HB GLN 40 2HB GLN 40 -3.638 10.977 -3.354 311 2HB GLN 40 1HB GLN 40 -2.053 10.345 -2.930 312 1HG GLN 40 2HG GLN 40 -1.113 12.578 -3.013 313 2HG GLN 40 1HG GLN 40 -2.669 13.234 -3.522 314 1HE2 GLN 40 1HE2 GLN 40 -2.837 14.596 -1.758 315 2HE2 GLN 40 2HE2 GLN 40 -3.149 14.019 -0.160 316 H VAL 41 H VAL 41 -2.661 8.492 -5.224 317 HA VAL 41 HA VAL 41 0.101 7.649 -4.916 318 HB VAL 41 HB VAL 41 -0.668 5.553 -4.399 319 1HG1 VAL 41 1HG1 VAL 41 -1.723 7.159 -2.853 320 2HG1 VAL 41 2HG1 VAL 41 -2.660 5.677 -3.044 321 3HG1 VAL 41 3HG1 VAL 41 -3.168 7.151 -3.867 322 1HG2 VAL 41 1HG2 VAL 41 -2.859 4.638 -5.236 323 2HG2 VAL 41 2HG2 VAL 41 -1.643 4.943 -6.474 324 3HG2 VAL 41 3HG2 VAL 41 -2.979 6.070 -6.256 325 H ALA 42 H ALA 42 -2.173 8.304 -7.360 326 HA ALA 42 HA ALA 42 -1.110 6.488 -9.314 327 1HB ALA 42 1HB ALA 42 -2.693 7.538 -10.852 328 2HB ALA 42 2HB ALA 42 -3.092 8.727 -9.612 329 3HB ALA 42 3HB ALA 42 -3.460 7.021 -9.350 330 H ARG 43 H ARG 43 -0.229 9.615 -8.239 331 HA ARG 43 HA ARG 43 0.876 10.440 -10.774 332 1HB ARG 43 2HB ARG 43 0.992 12.489 -9.866 333 2HB ARG 43 1HB ARG 43 0.054 11.815 -8.547 334 1HG ARG 43 2HG ARG 43 3.035 11.682 -8.476 335 2HG ARG 43 1HG ARG 43 2.201 13.173 -8.050 336 1HD ARG 43 2HD ARG 43 0.931 11.977 -6.346 337 2HD ARG 43 1HD ARG 43 1.741 10.477 -6.785 338 HE ARG 43 HE ARG 43 3.849 11.821 -6.135 339 1HH1 ARG 43 1HH1 ARG 43 0.726 12.052 -4.606 340 2HH1 ARG 43 2HH1 ARG 43 1.369 12.520 -3.068 341 1HH2 ARG 43 1HH2 ARG 43 4.704 12.434 -4.111 342 2HH2 ARG 43 2HH2 ARG 43 3.630 12.737 -2.787 343 H GLU 44 H GLU 44 1.750 8.234 -8.530 344 HA GLU 44 HA GLU 44 4.606 8.529 -9.161 345 1HB GLU 44 2HB GLU 44 4.796 7.094 -6.924 346 2HB GLU 44 1HB GLU 44 4.798 8.852 -6.927 347 1HG GLU 44 2HG GLU 44 2.481 8.915 -6.340 348 2HG GLU 44 1HG GLU 44 2.345 7.172 -6.522 349 H GLN 45 H GLN 45 2.571 5.992 -7.750 350 HA GLN 45 HA GLN 45 2.607 3.715 -8.076 351 1HB GLN 45 2HB GLN 45 2.190 4.864 -10.827 352 2HB GLN 45 1HB GLN 45 2.116 3.135 -10.523 353 1HG GLN 45 2HG GLN 45 0.336 3.561 -8.848 354 2HG GLN 45 1HG GLN 45 0.354 5.258 -9.327 355 1HE2 GLN 45 1HE2 GLN 45 -1.776 5.193 -10.028 356 2HE2 GLN 45 2HE2 GLN 45 -2.247 4.386 -11.482 357 HA PRO 46 HA PRO 46 7.252 3.783 -8.949 358 1HB PRO 46 2HB PRO 46 6.748 1.545 -7.022 359 2HB PRO 46 1HB PRO 46 8.113 2.666 -7.108 360 1HG PRO 46 2HG PRO 46 6.182 3.019 -5.310 361 2HG PRO 46 1HG PRO 46 6.920 4.402 -6.137 362 1HD PRO 46 2HD PRO 46 4.239 3.190 -6.508 363 2HD PRO 46 1HD PRO 46 4.769 4.863 -6.762 364 H GLU 47 H GLU 47 8.202 2.590 -10.493 365 HA GLU 47 HA GLU 47 6.706 0.460 -11.744 366 1HB GLU 47 2HB GLU 47 7.834 2.071 -13.157 367 2HB GLU 47 1HB GLU 47 9.379 1.710 -12.399 368 1HG GLU 47 2HG GLU 47 9.245 -0.584 -13.283 369 2HG GLU 47 1HG GLU 47 7.744 -0.154 -14.104 370 H ASN 48 H ASN 48 9.966 0.765 -10.330 371 HA ASN 48 HA ASN 48 10.583 -1.976 -10.418 372 1HB ASN 48 2HB ASN 48 12.239 -0.132 -10.160 373 2HB ASN 48 1HB ASN 48 11.673 0.105 -8.510 374 1HD2 ASN 48 1HD2 ASN 48 12.274 -1.323 -6.926 375 2HD2 ASN 48 2HD2 ASN 48 13.468 -2.549 -7.164 376 H LEU 49 H LEU 49 8.028 -0.908 -8.950 377 HA LEU 49 HA LEU 49 8.058 -2.941 -6.914 378 1HB LEU 49 2HB LEU 49 8.164 -0.074 -6.272 379 2HB LEU 49 1HB LEU 49 6.857 -0.930 -5.485 380 HG LEU 49 HG LEU 49 8.484 -1.100 -3.891 381 1HD1 LEU 49 1HD1 LEU 49 7.772 -3.359 -4.473 382 2HD1 LEU 49 2HD1 LEU 49 9.430 -3.326 -3.876 383 3HD1 LEU 49 3HD1 LEU 49 9.121 -3.492 -5.603 384 1HD2 LEU 49 1HD2 LEU 49 10.898 -1.467 -4.401 385 2HD2 LEU 49 2HD2 LEU 49 10.243 0.053 -5.004 386 3HD2 LEU 49 3HD2 LEU 49 10.506 -1.292 -6.109 387 H ARG 50 H ARG 50 6.681 -1.690 -9.462 388 HA ARG 50 HA ARG 50 3.989 -1.248 -8.786 389 1HB ARG 50 2HB ARG 50 5.086 -0.667 -10.971 390 2HB ARG 50 1HB ARG 50 5.050 -2.375 -11.382 391 1HG ARG 50 2HG ARG 50 2.652 -2.389 -11.362 392 2HG ARG 50 1HG ARG 50 2.607 -0.733 -10.752 393 1HD ARG 50 2HD ARG 50 2.165 -0.660 -13.096 394 2HD ARG 50 1HD ARG 50 3.784 -0.015 -12.825 395 HE ARG 50 HE ARG 50 3.835 -2.802 -13.414 396 1HH1 ARG 50 1HH1 ARG 50 3.560 0.359 -14.857 397 2HH1 ARG 50 2HH1 ARG 50 4.184 -0.145 -16.391 398 1HH2 ARG 50 1HH2 ARG 50 4.658 -3.474 -15.433 399 2HH2 ARG 50 2HH2 ARG 50 4.808 -2.324 -16.720 400 H THR 51 H THR 51 5.910 -4.058 -8.915 401 HA THR 51 HA THR 51 3.861 -5.975 -9.422 402 HB THR 51 HB THR 51 6.498 -6.379 -7.987 403 HG1 THR 51 1HG THR 51 5.906 -5.891 -10.606 404 1HG2 THR 51 1HG2 THR 51 4.719 -8.346 -9.430 405 2HG2 THR 51 2HG2 THR 51 4.869 -8.203 -7.679 406 3HG2 THR 51 3HG2 THR 51 6.256 -8.709 -8.644 407 H TYR 52 H TYR 52 5.492 -4.843 -6.463 408 HA TYR 52 HA TYR 52 4.151 -6.356 -4.593 409 1HB TYR 52 2HB TYR 52 6.104 -4.872 -4.158 410 2HB TYR 52 1HB TYR 52 5.051 -3.473 -4.305 411 HD1 TYR 52 1HD TYR 52 5.327 -2.590 -2.130 412 HD2 TYR 52 2HD TYR 52 4.149 -6.663 -2.603 413 HE1 TYR 52 1HE TYR 52 4.807 -2.715 0.258 414 HE2 TYR 52 2HE TYR 52 3.632 -6.785 -0.214 415 HH TYR 52 HH TYR 52 4.278 -5.634 1.881 416 H PHE 53 H PHE 53 3.258 -3.245 -6.016 417 HA PHE 53 HA PHE 53 0.929 -2.732 -4.613 418 1HB PHE 53 2HB PHE 53 1.446 -0.951 -5.901 419 2HB PHE 53 1HB PHE 53 2.056 -1.931 -7.225 420 HD1 PHE 53 1HD PHE 53 -0.639 0.056 -5.991 421 HD2 PHE 53 2HD PHE 53 0.349 -2.986 -8.800 422 HE1 PHE 53 1HE PHE 53 -2.661 0.600 -7.283 423 HE2 PHE 53 2HE PHE 53 -1.676 -2.454 -10.092 424 HZ PHE 53 HZ PHE 53 -3.185 -0.660 -9.334 425 H MET 54 H MET 54 1.449 -4.942 -7.306 426 HA MET 54 HA MET 54 -1.341 -5.469 -7.714 427 1HB MET 54 2HB MET 54 0.936 -7.281 -8.511 428 2HB MET 54 1HB MET 54 -0.652 -7.148 -9.253 429 1HG MET 54 2HG MET 54 0.068 -4.713 -9.748 430 2HG MET 54 1HG MET 54 1.694 -5.327 -9.471 431 1HE MET 54 1HE MET 54 1.521 -8.323 -10.632 432 2HE MET 54 2HE MET 54 2.841 -7.175 -10.861 433 3HE MET 54 3HE MET 54 2.130 -7.989 -12.255 434 H GLU 55 H GLU 55 1.311 -7.035 -6.008 435 HA GLU 55 HA GLU 55 0.055 -9.363 -5.182 436 1HB GLU 55 2HB GLU 55 1.953 -7.775 -3.459 437 2HB GLU 55 1HB GLU 55 1.735 -9.519 -3.492 438 1HG GLU 55 2HG GLU 55 2.545 -9.373 -5.921 439 2HG GLU 55 1HG GLU 55 3.102 -7.761 -5.485 440 H ARG 56 H ARG 56 0.278 -6.262 -3.488 441 HA ARG 56 HA ARG 56 -1.504 -6.993 -1.412 442 1HB ARG 56 2HB ARG 56 0.217 -4.928 -1.768 443 2HB ARG 56 1HB ARG 56 -1.309 -4.126 -2.111 444 1HG ARG 56 2HG ARG 56 -0.761 -3.852 0.211 445 2HG ARG 56 1HG ARG 56 -2.174 -4.900 0.064 446 1HD ARG 56 2HD ARG 56 -0.781 -6.863 0.386 447 2HD ARG 56 1HD ARG 56 0.662 -5.851 0.456 448 HE ARG 56 HE ARG 56 -1.316 -5.164 2.421 449 1HH1 ARG 56 1HH1 ARG 56 1.387 -7.240 1.687 450 2HH1 ARG 56 2HH1 ARG 56 1.776 -7.535 3.348 451 1HH2 ARG 56 1HH2 ARG 56 -0.808 -5.550 4.610 452 2HH2 ARG 56 2HH2 ARG 56 0.526 -6.578 5.009 453 H LEU 57 H LEU 57 -1.895 -5.522 -4.564 454 HA LEU 57 HA LEU 57 -4.506 -4.596 -4.380 455 1HB LEU 57 2HB LEU 57 -3.230 -4.042 -6.301 456 2HB LEU 57 1HB LEU 57 -2.950 -5.725 -6.693 457 HG LEU 57 HG LEU 57 -5.308 -5.992 -7.301 458 1HD1 LEU 57 1HD1 LEU 57 -6.291 -4.357 -5.795 459 2HD1 LEU 57 2HD1 LEU 57 -6.766 -4.031 -7.462 460 3HD1 LEU 57 3HD1 LEU 57 -5.522 -3.047 -6.692 461 1HD2 LEU 57 1HD2 LEU 57 -3.719 -5.364 -9.026 462 2HD2 LEU 57 2HD2 LEU 57 -3.954 -3.659 -8.647 463 3HD2 LEU 57 3HD2 LEU 57 -5.281 -4.603 -9.323 464 H ARG 58 H ARG 58 -3.461 -7.782 -5.641 465 HA ARG 58 HA ARG 58 -6.035 -8.845 -5.909 466 1HB ARG 58 2HB ARG 58 -4.991 -10.993 -6.115 467 2HB ARG 58 1HB ARG 58 -3.939 -9.816 -6.886 468 1HG ARG 58 2HG ARG 58 -2.534 -9.789 -4.867 469 2HG ARG 58 1HG ARG 58 -3.561 -11.037 -4.163 470 1HD ARG 58 2HD ARG 58 -1.656 -12.121 -5.095 471 2HD ARG 58 1HD ARG 58 -3.029 -12.466 -6.145 472 HE ARG 58 HE ARG 58 -1.804 -10.229 -7.195 473 1HH1 ARG 58 1HH1 ARG 58 -0.914 -13.532 -6.525 474 2HH1 ARG 58 2HH1 ARG 58 0.221 -13.626 -7.829 475 1HH2 ARG 58 1HH2 ARG 58 -0.311 -10.346 -8.917 476 2HH2 ARG 58 2HH2 ARG 58 0.560 -11.818 -9.188 477 H HIS 59 H HIS 59 -3.807 -8.726 -3.202 478 HA HIS 59 HA HIS 59 -5.220 -10.411 -1.448 479 1HB HIS 59 2HB HIS 59 -3.143 -8.308 -1.162 480 2HB HIS 59 1HB HIS 59 -4.064 -8.709 0.284 481 HD1 HIS 59 1HD HIS 59 -2.345 -9.995 1.571 482 HD2 HIS 59 2HD HIS 59 -2.766 -11.367 -2.327 483 HE1 HIS 59 1HE HIS 59 -0.970 -12.096 1.447 484 HE2 HIS 59 2HE HIS 59 -1.344 -12.975 -0.885 485 H TYR 60 H TYR 60 -5.395 -6.916 -1.986 486 HA TYR 60 HA TYR 60 -7.317 -6.361 -0.012 487 1HB TYR 60 2HB TYR 60 -6.498 -4.943 -2.542 488 2HB TYR 60 1HB TYR 60 -7.808 -4.334 -1.536 489 HD1 TYR 60 1HD TYR 60 -4.679 -3.541 -2.293 490 HD2 TYR 60 2HD TYR 60 -6.866 -4.689 1.171 491 HE1 TYR 60 1HE TYR 60 -3.047 -2.365 -0.877 492 HE2 TYR 60 2HE TYR 60 -5.242 -3.515 2.594 493 HH TYR 60 HH TYR 60 -2.952 -1.348 1.372 494 H ARG 61 H ARG 61 -7.535 -7.538 -3.288 495 HA ARG 61 HA ARG 61 -10.269 -7.092 -3.749 496 1HB ARG 61 2HB ARG 61 -8.594 -7.800 -5.472 497 2HB ARG 61 1HB ARG 61 -8.606 -9.409 -4.763 498 1HG ARG 61 2HG ARG 61 -10.993 -9.608 -5.279 499 2HG ARG 61 1HG ARG 61 -10.955 -8.009 -6.023 500 1HD ARG 61 2HD ARG 61 -10.789 -9.665 -7.752 501 2HD ARG 61 1HD ARG 61 -9.237 -8.841 -7.605 502 HE ARG 61 HE ARG 61 -9.049 -11.064 -5.999 503 1HH1 ARG 61 1HH1 ARG 61 -9.683 -10.444 -9.369 504 2HH1 ARG 61 2HH1 ARG 61 -8.970 -11.928 -9.909 505 1HH2 ARG 61 1HH2 ARG 61 -8.112 -13.019 -6.700 506 2HH2 ARG 61 2HH2 ARG 61 -8.077 -13.392 -8.390 507 H GLN 62 H GLN 62 -8.533 -9.676 -2.119 508 HA GLN 62 HA GLN 62 -10.720 -11.428 -1.765 509 1HB GLN 62 2HB GLN 62 -8.250 -11.119 -0.044 510 2HB GLN 62 1HB GLN 62 -9.320 -12.515 -0.081 511 1HG GLN 62 2HG GLN 62 -8.660 -13.047 -2.311 512 2HG GLN 62 1HG GLN 62 -7.747 -11.544 -2.452 513 1HE2 GLN 62 1HE2 GLN 62 -5.823 -12.583 -2.906 514 2HE2 GLN 62 2HE2 GLN 62 -4.942 -13.475 -1.719 515 H LEU 63 H LEU 63 -9.278 -8.947 0.356 516 HA LEU 63 HA LEU 63 -11.052 -9.378 2.495 517 1HB LEU 63 2HB LEU 63 -9.354 -7.027 1.695 518 2HB LEU 63 1HB LEU 63 -10.417 -6.974 3.088 519 HG LEU 63 HG LEU 63 -8.138 -7.443 3.776 520 1HD1 LEU 63 1HD1 LEU 63 -9.992 -8.430 5.046 521 2HD1 LEU 63 2HD1 LEU 63 -8.535 -9.422 5.108 522 3HD1 LEU 63 3HD1 LEU 63 -9.876 -9.888 4.062 523 1HD2 LEU 63 1HD2 LEU 63 -7.043 -9.550 3.144 524 2HD2 LEU 63 2HD2 LEU 63 -7.295 -8.485 1.761 525 3HD2 LEU 63 3HD2 LEU 63 -8.350 -9.877 2.007 526 H SER 64 H SER 64 -11.093 -7.347 -0.358 527 HA SER 64 HA SER 64 -13.276 -5.750 0.184 528 1HB SER 64 2HB SER 64 -12.425 -6.965 -2.453 529 2HB SER 64 1HB SER 64 -13.610 -5.669 -2.291 530 HG SER 64 HG SER 64 -11.002 -5.431 -2.447 531 H LEU 65 H LEU 65 -13.182 -9.138 -0.831 532 HA LEU 65 HA LEU 65 -16.095 -9.208 -0.965 533 1HB LEU 65 2HB LEU 65 -14.068 -11.338 -1.605 534 2HB LEU 65 1HB LEU 65 -15.789 -11.423 -1.929 535 HG LEU 65 HG LEU 65 -13.841 -9.509 -3.221 536 1HD1 LEU 65 1HD1 LEU 65 -13.586 -11.815 -3.984 537 2HD1 LEU 65 2HD1 LEU 65 -14.268 -10.790 -5.248 538 3HD1 LEU 65 3HD1 LEU 65 -15.310 -11.889 -4.345 539 1HD2 LEU 65 1HD2 LEU 65 -16.042 -8.497 -2.963 540 2HD2 LEU 65 2HD2 LEU 65 -16.792 -9.913 -3.701 541 3HD2 LEU 65 3HD2 LEU 65 -15.724 -8.881 -4.654 542 H GLN 66 H GLN 66 -14.045 -9.358 1.513 543 HA GLN 66 HA GLN 66 -15.506 -11.535 2.830 544 1HB GLN 66 2HB GLN 66 -13.631 -12.298 3.873 545 2HB GLN 66 1HB GLN 66 -12.876 -11.668 2.431 546 1HG GLN 66 2HG GLN 66 -11.544 -11.017 4.284 547 2HG GLN 66 1HG GLN 66 -12.372 -9.576 3.704 548 1HE2 GLN 66 1HE2 GLN 66 -12.370 -8.409 5.551 549 2HE2 GLN 66 2HE2 GLN 66 -13.281 -8.836 6.965 550 H LEU 67 H LEU 67 -13.787 -8.491 3.401 551 HA LEU 67 HA LEU 67 -14.736 -7.998 5.948 552 1HB LEU 67 2HB LEU 67 -13.637 -5.949 5.785 553 2HB LEU 67 1HB LEU 67 -12.746 -7.054 4.778 554 HG LEU 67 HG LEU 67 -14.125 -4.582 4.070 555 1HD1 LEU 67 1HD1 LEU 67 -12.422 -4.798 2.198 556 2HD1 LEU 67 2HD1 LEU 67 -11.852 -6.234 3.039 557 3HD1 LEU 67 3HD1 LEU 67 -11.797 -4.668 3.840 558 1HD2 LEU 67 1HD2 LEU 67 -14.216 -5.880 1.654 559 2HD2 LEU 67 2HD2 LEU 67 -15.606 -5.468 2.660 560 3HD2 LEU 67 3HD2 LEU 67 -14.885 -7.070 2.772 561 HA PRO 68 HA PRO 68 -18.653 -6.040 5.794 562 1HB PRO 68 2HB PRO 68 -18.625 -3.436 6.306 563 2HB PRO 68 1HB PRO 68 -18.004 -4.622 7.482 564 1HG PRO 68 2HG PRO 68 -16.411 -3.133 5.392 565 2HG PRO 68 1HG PRO 68 -16.217 -3.066 7.172 566 1HD PRO 68 2HD PRO 68 -14.760 -4.750 5.801 567 2HD PRO 68 1HD PRO 68 -15.541 -5.318 7.290 568 H LYS 69 H LYS 69 -18.103 -2.882 4.666 569 HA LYS 69 HA LYS 69 -19.106 -1.780 2.928 570 1HB LYS 69 2HB LYS 69 -18.026 -2.165 0.830 571 2HB LYS 69 1HB LYS 69 -16.840 -2.433 2.098 572 1HG LYS 69 2HG LYS 69 -16.755 -4.691 1.734 573 2HG LYS 69 1HG LYS 69 -18.367 -4.754 1.028 574 1HD LYS 69 2HD LYS 69 -16.077 -3.347 -0.321 575 2HD LYS 69 1HD LYS 69 -16.404 -5.064 -0.565 576 1HE LYS 69 2HE LYS 69 -18.692 -4.485 -1.298 577 2HE LYS 69 1HE LYS 69 -18.287 -2.777 -1.135 578 1HZ LYS 69 1HZ LYS 69 -16.883 -4.674 -2.936 579 2HZ LYS 69 2HZ LYS 69 -16.631 -3.004 -2.836 580 3HZ LYS 69 3HZ LYS 69 -18.097 -3.605 -3.428 581 H GLY 70 H GLY 70 -19.665 -2.876 0.283 582 1HA GLY 70 2HA GLY 70 -22.296 -3.923 0.844 583 2HA GLY 70 1HA GLY 70 -21.644 -3.514 -0.738 584 H SER 71 H SER 71 -19.769 -5.532 1.322 585 HA SER 71 HA SER 71 -19.907 -7.699 -0.566 586 1HB SER 71 2HB SER 71 -17.811 -6.955 0.655 587 2HB SER 71 1HB SER 71 -18.498 -7.676 2.111 588 HG SER 71 HG SER 71 -17.842 -8.990 -0.316 589 H ASP 72 H ASP 72 -19.595 -9.879 1.259 590 HA ASP 72 HA ASP 72 -22.166 -10.812 1.498 591 1HB ASP 72 2HB ASP 72 -21.092 -12.298 3.383 592 2HB ASP 72 1HB ASP 72 -20.608 -12.490 1.703 593 HA PRO 73 HA PRO 73 -23.702 -8.250 4.862 594 1HB PRO 73 2HB PRO 73 -26.094 -9.933 4.616 595 2HB PRO 73 1HB PRO 73 -25.910 -8.199 4.403 596 1HG PRO 73 2HG PRO 73 -26.360 -9.835 2.332 597 2HG PRO 73 1HG PRO 73 -25.367 -8.370 2.193 598 1HD PRO 73 2HD PRO 73 -24.512 -11.222 2.432 599 2HD PRO 73 1HD PRO 73 -23.849 -9.914 1.437 600 H ALA 74 H ALA 74 -24.104 -11.751 4.719 601 HA ALA 74 HA ALA 74 -24.760 -12.156 7.426 602 1HB ALA 74 1HB ALA 74 -23.461 -14.088 5.515 603 2HB ALA 74 2HB ALA 74 -25.195 -13.811 5.678 604 3HB ALA 74 3HB ALA 74 -24.283 -14.502 7.019 605 H TYR 75 H TYR 75 -22.106 -10.679 6.577 606 HA TYR 75 HA TYR 75 -20.204 -12.213 8.143 607 1HB TYR 75 2HB TYR 75 -19.536 -11.060 6.024 608 2HB TYR 75 1HB TYR 75 -19.812 -9.523 6.830 609 HD1 TYR 75 1HD TYR 75 -18.079 -8.504 7.996 610 HD2 TYR 75 2HD TYR 75 -17.829 -12.665 7.147 611 HE1 TYR 75 1HE TYR 75 -15.777 -8.536 8.860 612 HE2 TYR 75 2HE TYR 75 -15.527 -12.710 8.011 613 HH TYR 75 HH TYR 75 -13.670 -11.165 8.384 614 H GLN 76 H GLN 76 -22.576 -10.052 8.706 615 HA GLN 76 HA GLN 76 -21.280 -8.980 11.122 616 1HB GLN 76 2HB GLN 76 -23.645 -7.877 9.594 617 2HB GLN 76 1HB GLN 76 -22.967 -7.185 11.061 618 1HG GLN 76 2HG GLN 76 -21.634 -5.959 9.798 619 2HG GLN 76 1HG GLN 76 -20.821 -7.440 9.293 620 1HE2 GLN 76 1HE2 GLN 76 -21.364 -8.384 7.321 621 2HE2 GLN 76 2HE2 GLN 76 -22.216 -7.514 6.095 622 H LYS 77 H LYS 77 -21.760 -10.358 12.720 623 HA LYS 77 HA LYS 77 -24.601 -10.905 13.216 624 1HB LYS 77 2HB LYS 77 -24.094 -13.179 13.912 625 2HB LYS 77 1HB LYS 77 -23.573 -12.923 12.254 626 1HG LYS 77 2HG LYS 77 -21.668 -12.671 14.557 627 2HG LYS 77 1HG LYS 77 -22.027 -14.226 13.805 628 1HD LYS 77 2HD LYS 77 -21.270 -13.382 11.653 629 2HD LYS 77 1HD LYS 77 -20.969 -11.795 12.362 630 1HE LYS 77 2HE LYS 77 -19.594 -14.366 13.130 631 2HE LYS 77 1HE LYS 77 -18.903 -13.087 12.132 632 1HZ LYS 77 1HZ LYS 77 -18.147 -12.932 14.419 633 2HZ LYS 77 2HZ LYS 77 -19.740 -12.805 14.968 634 3HZ LYS 77 3HZ LYS 77 -19.076 -11.578 14.012 635 H ASP 78 H ASP 78 -25.264 -10.679 15.278 636 HA ASP 78 HA ASP 78 -23.526 -9.376 17.133 637 1HB ASP 78 2HB ASP 78 -26.328 -10.458 17.508 638 2HB ASP 78 1HB ASP 78 -25.488 -9.396 18.635 639 H ASP 79 H ASP 79 -25.006 -12.577 16.929 640 HA ASP 79 HA ASP 79 -22.885 -13.710 18.509 641 1HB ASP 79 2HB ASP 79 -24.495 -14.760 20.147 642 2HB ASP 79 1HB ASP 79 -24.250 -13.027 20.344 643 H ALA 80 H ALA 80 -22.720 -14.640 16.328 644 HA ALA 80 HA ALA 80 -22.895 -16.379 14.877 645 1HB ALA 80 1HB ALA 80 -23.621 -18.523 15.728 646 2HB ALA 80 2HB ALA 80 -24.392 -17.746 17.111 647 3HB ALA 80 3HB ALA 80 -22.637 -17.705 16.943 648 H VAL 81 H VAL 81 -25.087 -14.323 15.170 649 HA VAL 81 HA VAL 81 -27.136 -15.807 13.659 650 HB VAL 81 HB VAL 81 -27.642 -13.609 15.671 651 1HG1 VAL 81 1HG1 VAL 81 -30.027 -13.997 15.178 652 2HG1 VAL 81 2HG1 VAL 81 -29.560 -15.084 13.871 653 3HG1 VAL 81 3HG1 VAL 81 -29.143 -13.371 13.787 654 1HG2 VAL 81 1HG2 VAL 81 -28.349 -16.540 15.678 655 2HG2 VAL 81 2HG2 VAL 81 -28.938 -15.360 16.848 656 3HG2 VAL 81 3HG2 VAL 81 -27.215 -15.722 16.753 657 H LYS 82 H LYS 82 -27.250 -15.095 11.650 658 HA LYS 82 HA LYS 82 -26.066 -12.627 10.828 659 1HB LYS 82 2HB LYS 82 -26.544 -13.287 8.620 660 2HB LYS 82 1HB LYS 82 -26.216 -14.788 9.471 661 1HG LYS 82 2HG LYS 82 -28.954 -13.704 8.832 662 2HG LYS 82 1HG LYS 82 -28.120 -14.979 7.945 663 1HD LYS 82 2HD LYS 82 -28.140 -16.401 9.906 664 2HD LYS 82 1HD LYS 82 -28.863 -15.108 10.865 665 1HE LYS 82 2HE LYS 82 -30.542 -16.740 10.185 666 2HE LYS 82 1HE LYS 82 -30.853 -15.166 9.458 667 1HZ LYS 82 1HZ LYS 82 -29.552 -17.467 8.104 668 2HZ LYS 82 2HZ LYS 82 -29.857 -15.957 7.404 669 3HZ LYS 82 3HZ LYS 82 -31.145 -16.953 7.862 670 H LYS 83 H LYS 83 -27.092 -10.831 9.889 671 HA LYS 83 HA LYS 83 -29.415 -9.940 11.201 672 1HB LYS 83 2HB LYS 83 -27.965 -8.904 8.766 673 2HB LYS 83 1HB LYS 83 -29.342 -8.077 9.481 674 1HG LYS 83 2HG LYS 83 -26.790 -8.711 10.946 675 2HG LYS 83 1HG LYS 83 -27.149 -7.164 10.177 676 1HD LYS 83 2HD LYS 83 -29.154 -6.965 11.625 677 2HD LYS 83 1HD LYS 83 -28.672 -8.455 12.439 678 1HE LYS 83 2HE LYS 83 -27.968 -6.521 13.725 679 2HE LYS 83 1HE LYS 83 -26.566 -7.396 13.112 680 1HZ LYS 83 1HZ LYS 83 -26.413 -5.764 11.311 681 2HZ LYS 83 2HZ LYS 83 -26.262 -5.036 12.831 682 3HZ LYS 83 3HZ LYS 83 -27.713 -4.905 11.971 Start of MODEL 6 1 1H MET 1 1HT MET 1 -4.614 17.317 -0.678 2 2H MET 1 2HT MET 1 -4.861 15.661 -0.444 3 3H MET 1 3HT MET 1 -4.808 16.294 -2.012 4 HA MET 1 HA MET 1 -2.763 15.149 -1.478 5 1HB MET 1 2HB MET 1 -2.773 17.139 -2.982 6 2HB MET 1 1HB MET 1 -2.383 18.148 -1.596 7 1HG MET 1 2HG MET 1 -0.297 16.864 -1.293 8 2HG MET 1 1HG MET 1 -0.683 15.950 -2.751 9 1HE MET 1 1HE MET 1 -0.597 18.766 -5.490 10 2HE MET 1 2HE MET 1 -2.002 18.240 -4.561 11 3HE MET 1 3HE MET 1 -0.855 17.050 -5.177 12 H TYR 2 H TYR 2 -2.309 14.255 0.467 13 HA TYR 2 HA TYR 2 -1.035 16.007 2.441 14 1HB TYR 2 2HB TYR 2 -3.134 13.926 3.084 15 2HB TYR 2 1HB TYR 2 -2.151 14.762 4.281 16 HD1 TYR 2 1HD TYR 2 -2.562 17.101 4.815 17 HD2 TYR 2 2HD TYR 2 -4.929 15.076 1.918 18 HE1 TYR 2 1HE TYR 2 -4.215 18.918 4.905 19 HE2 TYR 2 2HE TYR 2 -6.589 16.888 1.998 20 HH TYR 2 HH TYR 2 -5.977 19.877 3.498 21 H ASP 3 H ASP 3 0.518 14.976 3.770 22 HA ASP 3 HA ASP 3 1.536 12.471 2.629 23 1HB ASP 3 2HB ASP 3 2.906 14.672 4.179 24 2HB ASP 3 1HB ASP 3 3.684 13.154 3.751 25 H TRP 4 H TRP 4 2.361 10.834 4.033 26 HA TRP 4 HA TRP 4 2.015 10.969 6.856 27 1HB TRP 4 2HB TRP 4 0.275 9.178 7.004 28 2HB TRP 4 1HB TRP 4 -0.324 10.704 6.363 29 HD1 TRP 4 HD TRP 4 0.837 7.246 5.037 30 HE1 TRP 4 1HE TRP 4 -0.500 6.731 2.900 31 HE3 TRP 4 3HE TRP 4 -1.763 11.630 4.630 32 HZ2 TRP 4 2HZ TRP 4 -2.406 8.013 1.259 33 HZ3 TRP 4 3HZ TRP 4 -3.323 11.905 2.748 34 HH2 TRP 4 HH TRP 4 -3.636 10.133 1.099 35 H ASN 5 H ASN 5 3.429 9.780 4.181 36 HA ASN 5 HA ASN 5 4.092 7.157 5.256 37 1HB ASN 5 2HB ASN 5 4.886 8.520 2.674 38 2HB ASN 5 1HB ASN 5 5.377 6.891 3.128 39 1HD2 ASN 5 1HD2 ASN 5 3.862 5.241 3.137 40 2HD2 ASN 5 2HD2 ASN 5 2.335 5.390 2.344 41 H ILE 6 H ILE 6 4.926 9.580 6.616 42 HA ILE 6 HA ILE 6 7.746 9.898 6.190 43 HB ILE 6 HB ILE 6 6.206 10.781 8.614 44 1HG1 ILE 6 2HG1 ILE 6 5.026 11.435 6.519 45 2HG1 ILE 6 1HG1 ILE 6 5.598 12.800 7.462 46 1HG2 ILE 6 1HG2 ILE 6 8.675 11.826 7.245 47 2HG2 ILE 6 2HG2 ILE 6 8.585 11.039 8.820 48 3HG2 ILE 6 3HG2 ILE 6 7.858 12.628 8.587 49 1HD1 ILE 6 1HD1 ILE 6 6.897 11.669 5.003 50 2HD1 ILE 6 2HD1 ILE 6 7.518 13.014 5.956 51 3HD1 ILE 6 3HD1 ILE 6 5.979 13.170 5.109 52 H ALA 7 H ALA 7 5.864 7.594 7.734 53 HA ALA 7 HA ALA 7 7.443 7.003 10.004 54 1HB ALA 7 1HB ALA 7 5.119 6.230 9.715 55 2HB ALA 7 2HB ALA 7 6.228 4.915 10.104 56 3HB ALA 7 3HB ALA 7 5.664 5.132 8.446 57 H ALA 8 H ALA 8 7.884 6.426 6.666 58 HA ALA 8 HA ALA 8 9.483 4.119 6.780 59 1HB ALA 8 1HB ALA 8 10.160 4.683 4.515 60 2HB ALA 8 2HB ALA 8 9.489 6.303 4.705 61 3HB ALA 8 3HB ALA 8 8.420 4.899 4.716 62 H LYS 9 H LYS 9 11.573 3.826 7.277 63 HA LYS 9 HA LYS 9 13.131 6.180 8.060 64 1HB LYS 9 2HB LYS 9 13.595 3.233 8.572 65 2HB LYS 9 1HB LYS 9 14.625 4.531 9.161 66 1HG LYS 9 2HG LYS 9 11.720 4.170 9.863 67 2HG LYS 9 1HG LYS 9 13.085 3.694 10.876 68 1HD LYS 9 2HD LYS 9 12.668 6.509 9.903 69 2HD LYS 9 1HD LYS 9 12.007 5.916 11.428 70 1HE LYS 9 2HE LYS 9 14.262 5.368 12.193 71 2HE LYS 9 1HE LYS 9 14.926 5.934 10.661 72 1HZ LYS 9 1HZ LYS 9 15.121 7.599 12.408 73 2HZ LYS 9 2HZ LYS 9 13.442 7.611 12.612 74 3HZ LYS 9 3HZ LYS 9 14.120 8.147 11.159 75 H SER 10 H SER 10 13.961 3.048 6.607 76 HA SER 10 HA SER 10 16.160 4.188 5.157 77 1HB SER 10 2HB SER 10 14.924 1.427 5.100 78 2HB SER 10 1HB SER 10 16.382 1.876 4.218 79 HG SER 10 HG SER 10 16.657 2.641 6.753 80 H GLN 11 H GLN 11 16.398 3.948 2.805 81 HA GLN 11 HA GLN 11 14.208 5.129 1.437 82 1HB GLN 11 2HB GLN 11 16.472 5.656 0.785 83 2HB GLN 11 1HB GLN 11 16.809 3.968 0.430 84 1HG GLN 11 2HG GLN 11 16.458 4.744 -1.675 85 2HG GLN 11 1HG GLN 11 14.811 4.271 -1.258 86 1HE2 GLN 11 1HE2 GLN 11 15.766 6.247 -3.177 87 2HE2 GLN 11 2HE2 GLN 11 15.042 7.747 -2.722 88 H GLU 12 H GLU 12 15.587 1.865 1.440 89 HA GLU 12 HA GLU 12 14.040 0.833 -0.667 90 1HB GLU 12 2HB GLU 12 14.636 -1.374 0.208 91 2HB GLU 12 1HB GLU 12 16.032 -0.303 0.168 92 1HG GLU 12 2HG GLU 12 16.389 -0.712 2.304 93 2HG GLU 12 1HG GLU 12 14.829 0.020 2.679 94 H GLU 13 H GLU 13 13.297 1.492 2.639 95 HA GLU 13 HA GLU 13 10.984 -0.215 2.744 96 1HB GLU 13 2HB GLU 13 11.753 2.055 4.585 97 2HB GLU 13 1HB GLU 13 10.567 0.800 4.914 98 1HG GLU 13 2HG GLU 13 12.373 -0.879 4.798 99 2HG GLU 13 1HG GLU 13 13.533 0.431 4.589 100 H ARG 14 H ARG 14 11.669 3.042 1.760 101 HA ARG 14 HA ARG 14 9.034 4.070 2.011 102 1HB ARG 14 2HB ARG 14 11.085 5.031 0.024 103 2HB ARG 14 1HB ARG 14 9.807 5.954 0.800 104 1HG ARG 14 2HG ARG 14 10.968 5.760 2.941 105 2HG ARG 14 1HG ARG 14 12.246 4.832 2.153 106 1HD ARG 14 2HD ARG 14 12.688 6.748 0.675 107 2HD ARG 14 1HD ARG 14 11.464 7.675 1.538 108 HE ARG 14 HE ARG 14 13.548 6.607 3.218 109 1HH1 ARG 14 1HH1 ARG 14 12.536 9.281 1.227 110 2HH1 ARG 14 2HH1 ARG 14 13.567 10.427 2.018 111 1HH2 ARG 14 1HH2 ARG 14 14.908 8.107 4.265 112 2HH2 ARG 14 2HH2 ARG 14 14.917 9.760 3.744 113 H ASP 15 H ASP 15 10.855 2.764 -0.738 114 HA ASP 15 HA ASP 15 8.916 3.181 -2.707 115 1HB ASP 15 2HB ASP 15 10.979 0.973 -2.595 116 2HB ASP 15 1HB ASP 15 10.151 1.553 -4.036 117 H LYS 16 H LYS 16 9.591 0.216 -0.840 118 HA LYS 16 HA LYS 16 7.597 -1.364 -1.990 119 1HB LYS 16 2HB LYS 16 8.530 -1.589 0.866 120 2HB LYS 16 1HB LYS 16 7.889 -2.866 -0.156 121 1HG LYS 16 2HG LYS 16 10.019 -2.029 -1.619 122 2HG LYS 16 1HG LYS 16 10.596 -1.784 0.030 123 1HD LYS 16 2HD LYS 16 11.210 -3.966 -0.283 124 2HD LYS 16 1HD LYS 16 9.588 -4.196 0.374 125 1HE LYS 16 2HE LYS 16 9.645 -5.600 -1.491 126 2HE LYS 16 1HE LYS 16 8.802 -4.157 -2.064 127 1HZ LYS 16 1HZ LYS 16 11.680 -4.762 -2.494 128 2HZ LYS 16 2HZ LYS 16 10.869 -3.384 -3.044 129 3HZ LYS 16 3HZ LYS 16 10.456 -4.905 -3.655 130 H VAL 17 H VAL 17 7.429 0.762 0.842 131 HA VAL 17 HA VAL 17 4.709 -0.002 1.412 132 HB VAL 17 HB VAL 17 6.273 2.315 2.551 133 1HG1 VAL 17 1HG1 VAL 17 3.716 0.957 3.380 134 2HG1 VAL 17 2HG1 VAL 17 3.938 2.642 2.905 135 3HG1 VAL 17 3HG1 VAL 17 4.623 2.056 4.421 136 1HG2 VAL 17 1HG2 VAL 17 5.885 -0.478 3.631 137 2HG2 VAL 17 2HG2 VAL 17 6.734 0.841 4.439 138 3HG2 VAL 17 3HG2 VAL 17 7.380 0.158 2.946 139 H ASN 18 H ASN 18 6.280 2.569 -0.365 140 HA ASN 18 HA ASN 18 4.057 4.323 -0.507 141 1HB ASN 18 2HB ASN 18 6.539 3.984 -2.178 142 2HB ASN 18 1HB ASN 18 5.286 5.129 -2.642 143 1HD2 ASN 18 1HD2 ASN 18 6.031 4.419 0.687 144 2HD2 ASN 18 2HD2 ASN 18 6.769 5.936 1.051 145 H VAL 19 H VAL 19 5.258 1.763 -2.631 146 HA VAL 19 HA VAL 19 3.176 2.065 -4.554 147 HB VAL 19 HB VAL 19 5.534 0.948 -4.784 148 1HG1 VAL 19 1HG1 VAL 19 5.083 -0.755 -3.034 149 2HG1 VAL 19 2HG1 VAL 19 5.571 -1.439 -4.584 150 3HG1 VAL 19 3HG1 VAL 19 3.876 -1.473 -4.102 151 1HG2 VAL 19 1HG2 VAL 19 4.232 1.196 -6.702 152 2HG2 VAL 19 2HG2 VAL 19 2.991 0.093 -6.117 153 3HG2 VAL 19 3HG2 VAL 19 4.556 -0.534 -6.629 154 H ASP 20 H ASP 20 3.491 0.453 -1.528 155 HA ASP 20 HA ASP 20 1.393 -1.470 -1.953 156 1HB ASP 20 2HB ASP 20 2.878 -2.241 -0.351 157 2HB ASP 20 1HB ASP 20 3.123 -0.642 0.342 158 H LEU 21 H LEU 21 1.754 1.703 -0.495 159 HA LEU 21 HA LEU 21 -0.750 1.902 0.743 160 1HB LEU 21 2HB LEU 21 0.212 3.815 1.392 161 2HB LEU 21 1HB LEU 21 1.519 3.530 0.263 162 HG LEU 21 HG LEU 21 -0.569 4.584 -1.272 163 1HD1 LEU 21 1HD1 LEU 21 -0.991 6.737 -0.131 164 2HD1 LEU 21 2HD1 LEU 21 -0.217 6.086 1.312 165 3HD1 LEU 21 3HD1 LEU 21 -1.702 5.357 0.704 166 1HD2 LEU 21 1HD2 LEU 21 2.122 5.379 -0.388 167 2HD2 LEU 21 2HD2 LEU 21 1.087 6.662 -1.016 168 3HD2 LEU 21 3HD2 LEU 21 1.440 5.248 -2.012 169 H ALA 22 H ALA 22 0.445 2.611 -2.459 170 HA ALA 22 HA ALA 22 -1.690 3.867 -3.622 171 1HB ALA 22 1HB ALA 22 -0.873 2.807 -5.744 172 2HB ALA 22 2HB ALA 22 0.241 1.854 -4.758 173 3HB ALA 22 3HB ALA 22 0.375 3.611 -4.789 174 H ALA 23 H ALA 23 -1.043 0.374 -3.778 175 HA ALA 23 HA ALA 23 -3.356 -0.529 -4.871 176 1HB ALA 23 1HB ALA 23 -1.747 -1.898 -2.728 177 2HB ALA 23 2HB ALA 23 -1.393 -1.916 -4.455 178 3HB ALA 23 3HB ALA 23 -2.866 -2.675 -3.851 179 H SER 24 H SER 24 -2.843 0.593 -1.626 180 HA SER 24 HA SER 24 -5.073 -0.640 -0.398 181 1HB SER 24 2HB SER 24 -4.047 2.043 0.470 182 2HB SER 24 1HB SER 24 -4.641 0.710 1.458 183 HG SER 24 HG SER 24 -2.319 0.421 -0.110 184 H GLY 25 H GLY 25 -4.764 2.792 -1.339 185 1HA GLY 25 2HA GLY 25 -7.511 3.328 -0.924 186 2HA GLY 25 1HA GLY 25 -6.374 4.368 -1.768 187 H VAL 26 H VAL 26 -5.625 2.709 -3.840 188 HA VAL 26 HA VAL 26 -7.412 3.305 -5.796 189 HB VAL 26 HB VAL 26 -6.322 1.472 -7.115 190 1HG1 VAL 26 1HG1 VAL 26 -5.433 3.734 -7.094 191 2HG1 VAL 26 2HG1 VAL 26 -4.134 2.543 -7.161 192 3HG1 VAL 26 3HG1 VAL 26 -4.510 3.352 -5.640 193 1HG2 VAL 26 1HG2 VAL 26 -5.164 0.918 -4.465 194 2HG2 VAL 26 2HG2 VAL 26 -4.241 0.582 -5.930 195 3HG2 VAL 26 3HG2 VAL 26 -5.801 -0.199 -5.669 196 H ALA 27 H ALA 27 -7.090 -0.026 -4.472 197 HA ALA 27 HA ALA 27 -9.661 -0.717 -5.667 198 1HB ALA 27 1HB ALA 27 -7.662 -2.437 -4.213 199 2HB ALA 27 2HB ALA 27 -7.800 -2.252 -5.961 200 3HB ALA 27 3HB ALA 27 -9.105 -3.009 -5.049 201 H TYR 28 H TYR 28 -8.175 -0.862 -2.443 202 HA TYR 28 HA TYR 28 -10.350 -1.910 -1.072 203 1HB TYR 28 2HB TYR 28 -7.846 -0.923 -0.372 204 2HB TYR 28 1HB TYR 28 -8.978 0.078 0.533 205 HD1 TYR 28 1HD TYR 28 -8.142 -0.832 2.686 206 HD2 TYR 28 2HD TYR 28 -9.815 -3.384 -0.287 207 HE1 TYR 28 1HE TYR 28 -8.409 -2.603 4.364 208 HE2 TYR 28 2HE TYR 28 -10.074 -5.165 1.387 209 HH TYR 28 HH TYR 28 -9.156 -5.828 3.530 210 H LYS 29 H LYS 29 -9.491 1.576 -1.183 211 HA LYS 29 HA LYS 29 -11.596 2.560 0.235 212 1HB LYS 29 2HB LYS 29 -9.822 4.009 -0.527 213 2HB LYS 29 1HB LYS 29 -10.314 3.796 -2.202 214 1HG LYS 29 2HG LYS 29 -12.419 4.934 -1.743 215 2HG LYS 29 1HG LYS 29 -11.948 5.131 -0.054 216 1HD LYS 29 2HD LYS 29 -11.508 7.189 -1.188 217 2HD LYS 29 1HD LYS 29 -9.960 6.420 -0.840 218 1HE LYS 29 2HE LYS 29 -10.063 7.372 -3.113 219 2HE LYS 29 1HE LYS 29 -9.792 5.629 -3.116 220 1HZ LYS 29 1HZ LYS 29 -12.422 6.944 -3.542 221 2HZ LYS 29 2HZ LYS 29 -12.109 5.284 -3.626 222 3HZ LYS 29 3HZ LYS 29 -11.434 6.330 -4.770 223 H GLU 30 H GLU 30 -11.676 2.012 -3.306 224 HA GLU 30 HA GLU 30 -14.103 2.894 -4.041 225 1HB GLU 30 2HB GLU 30 -12.973 0.159 -4.675 226 2HB GLU 30 1HB GLU 30 -14.334 0.882 -5.521 227 1HG GLU 30 2HG GLU 30 -11.582 2.087 -5.383 228 2HG GLU 30 1HG GLU 30 -12.179 1.094 -6.713 229 H ARG 31 H ARG 31 -13.438 0.240 -1.966 230 HA ARG 31 HA ARG 31 -16.283 -0.012 -1.253 231 1HB ARG 31 2HB ARG 31 -14.677 -1.967 -2.400 232 2HB ARG 31 1HB ARG 31 -14.558 -2.323 -0.684 233 1HG ARG 31 2HG ARG 31 -16.328 -3.634 -1.540 234 2HG ARG 31 1HG ARG 31 -17.062 -2.332 -0.596 235 1HD ARG 31 2HD ARG 31 -18.254 -2.683 -2.700 236 2HD ARG 31 1HD ARG 31 -17.512 -1.085 -2.642 237 HE ARG 31 HE ARG 31 -15.648 -2.564 -3.909 238 1HH1 ARG 31 1HH1 ARG 31 -19.069 -2.130 -4.421 239 2HH1 ARG 31 2HH1 ARG 31 -18.973 -2.378 -6.131 240 1HH2 ARG 31 1HH2 ARG 31 -15.516 -2.892 -6.157 241 2HH2 ARG 31 2HH2 ARG 31 -16.954 -2.813 -7.118 242 H LEU 32 H LEU 32 -16.476 -0.757 1.152 243 HA LEU 32 HA LEU 32 -15.845 -0.855 3.333 244 1HB LEU 32 2HB LEU 32 -13.134 -0.078 2.281 245 2HB LEU 32 1HB LEU 32 -13.493 -0.288 3.974 246 HG LEU 32 HG LEU 32 -13.796 -2.625 3.715 247 1HD1 LEU 32 1HD1 LEU 32 -14.993 -2.787 1.648 248 2HD1 LEU 32 2HD1 LEU 32 -13.503 -3.721 1.497 249 3HD1 LEU 32 3HD1 LEU 32 -13.626 -2.127 0.752 250 1HD2 LEU 32 1HD2 LEU 32 -11.600 -3.184 2.540 251 2HD2 LEU 32 2HD2 LEU 32 -11.545 -2.103 3.934 252 3HD2 LEU 32 3HD2 LEU 32 -11.449 -1.440 2.296 253 H ASN 33 H ASN 33 -14.847 1.799 1.327 254 HA ASN 33 HA ASN 33 -15.141 4.023 1.499 255 1HB ASN 33 2HB ASN 33 -16.309 3.775 4.251 256 2HB ASN 33 1HB ASN 33 -16.648 4.951 2.991 257 1HD2 ASN 33 1HD2 ASN 33 -16.867 2.838 0.946 258 2HD2 ASN 33 2HD2 ASN 33 -18.408 2.102 1.210 259 H ILE 34 H ILE 34 -12.879 3.965 1.564 260 HA ILE 34 HA ILE 34 -11.665 4.347 4.221 261 HB ILE 34 HB ILE 34 -10.666 3.112 1.732 262 1HG1 ILE 34 2HG1 ILE 34 -9.336 1.806 3.365 263 2HG1 ILE 34 1HG1 ILE 34 -9.963 2.825 4.655 264 1HG2 ILE 34 1HG2 ILE 34 -8.871 4.858 3.396 265 2HG2 ILE 34 2HG2 ILE 34 -9.219 5.007 1.672 266 3HG2 ILE 34 3HG2 ILE 34 -8.299 3.623 2.270 267 1HD1 ILE 34 1HD1 ILE 34 -12.212 2.047 4.192 268 2HD1 ILE 34 2HD1 ILE 34 -11.127 0.695 4.525 269 3HD1 ILE 34 3HD1 ILE 34 -11.605 1.055 2.866 270 HA PRO 35 HA PRO 35 -11.306 8.586 2.994 271 1HB PRO 35 2HB PRO 35 -10.139 9.576 5.166 272 2HB PRO 35 1HB PRO 35 -11.767 8.892 5.237 273 1HG PRO 35 2HG PRO 35 -9.162 7.673 6.060 274 2HG PRO 35 1HG PRO 35 -10.734 7.610 6.875 275 1HD PRO 35 2HD PRO 35 -9.701 5.617 5.243 276 2HD PRO 35 1HD PRO 35 -11.419 5.819 5.644 277 H VAL 36 H VAL 36 -9.332 7.164 1.574 278 HA VAL 36 HA VAL 36 -7.053 8.996 1.916 279 HB VAL 36 HB VAL 36 -5.496 7.340 1.247 280 1HG1 VAL 36 1HG1 VAL 36 -7.409 6.223 3.286 281 2HG1 VAL 36 2HG1 VAL 36 -6.024 7.272 3.585 282 3HG1 VAL 36 3HG1 VAL 36 -5.774 5.622 3.010 283 1HG2 VAL 36 1HG2 VAL 36 -6.621 6.155 -0.441 284 2HG2 VAL 36 2HG2 VAL 36 -7.906 5.653 0.657 285 3HG2 VAL 36 3HG2 VAL 36 -6.287 4.971 0.822 286 H ILE 37 H ILE 37 -6.001 9.689 0.043 287 HA ILE 37 HA ILE 37 -7.736 9.888 -2.261 288 HB ILE 37 HB ILE 37 -4.938 10.980 -2.004 289 1HG1 ILE 37 2HG1 ILE 37 -6.221 11.762 -0.094 290 2HG1 ILE 37 1HG1 ILE 37 -5.999 13.083 -1.236 291 1HG2 ILE 37 1HG2 ILE 37 -5.777 12.657 -3.619 292 2HG2 ILE 37 2HG2 ILE 37 -7.294 11.761 -3.715 293 3HG2 ILE 37 3HG2 ILE 37 -5.791 11.012 -4.256 294 1HD1 ILE 37 1HD1 ILE 37 -8.236 13.133 -0.372 295 2HD1 ILE 37 2HD1 ILE 37 -8.495 11.451 -0.837 296 3HD1 ILE 37 3HD1 ILE 37 -8.286 12.688 -2.077 297 H ALA 38 H ALA 38 -7.697 8.562 -3.961 298 HA ALA 38 HA ALA 38 -5.614 6.586 -4.228 299 1HB ALA 38 1HB ALA 38 -7.963 7.135 -6.039 300 2HB ALA 38 2HB ALA 38 -7.977 6.038 -4.656 301 3HB ALA 38 3HB ALA 38 -6.946 5.694 -6.045 302 H GLU 39 H GLU 39 -6.914 9.102 -6.390 303 HA GLU 39 HA GLU 39 -5.044 9.000 -8.382 304 1HB GLU 39 2HB GLU 39 -5.445 11.533 -8.610 305 2HB GLU 39 1HB GLU 39 -6.816 10.445 -8.774 306 1HG GLU 39 2HG GLU 39 -7.489 10.921 -6.487 307 2HG GLU 39 1HG GLU 39 -6.091 11.975 -6.285 308 H GLN 40 H GLN 40 -4.500 9.971 -5.153 309 HA GLN 40 HA GLN 40 -2.235 11.653 -5.545 310 1HB GLN 40 2HB GLN 40 -3.738 10.753 -3.359 311 2HB GLN 40 1HB GLN 40 -2.124 10.101 -3.101 312 1HG GLN 40 2HG GLN 40 -1.234 12.414 -3.431 313 2HG GLN 40 1HG GLN 40 -2.902 12.985 -3.447 314 1HE2 GLN 40 1HE2 GLN 40 -4.111 12.923 -1.550 315 2HE2 GLN 40 2HE2 GLN 40 -3.373 12.741 0.002 316 H VAL 41 H VAL 41 -2.795 8.262 -5.354 317 HA VAL 41 HA VAL 41 0.034 7.588 -5.296 318 HB VAL 41 HB VAL 41 -0.551 5.447 -4.720 319 1HG1 VAL 41 1HG1 VAL 41 -2.427 5.477 -3.170 320 2HG1 VAL 41 2HG1 VAL 41 -3.020 6.968 -3.898 321 3HG1 VAL 41 3HG1 VAL 41 -1.480 6.960 -3.038 322 1HG2 VAL 41 1HG2 VAL 41 -3.099 5.832 -6.281 323 2HG2 VAL 41 2HG2 VAL 41 -2.757 4.405 -5.306 324 3HG2 VAL 41 3HG2 VAL 41 -1.730 4.798 -6.684 325 H ALA 42 H ALA 42 -2.527 8.034 -7.502 326 HA ALA 42 HA ALA 42 -1.650 6.293 -9.566 327 1HB ALA 42 1HB ALA 42 -3.959 7.008 -9.408 328 2HB ALA 42 2HB ALA 42 -3.269 7.462 -10.966 329 3HB ALA 42 3HB ALA 42 -3.475 8.679 -9.705 330 H ARG 43 H ARG 43 -0.558 9.350 -8.501 331 HA ARG 43 HA ARG 43 0.542 10.094 -11.086 332 1HB ARG 43 2HB ARG 43 1.440 12.074 -9.833 333 2HB ARG 43 1HB ARG 43 -0.308 11.916 -9.812 334 1HG ARG 43 2HG ARG 43 0.155 12.474 -7.632 335 2HG ARG 43 1HG ARG 43 0.080 10.716 -7.548 336 1HD ARG 43 2HD ARG 43 1.997 11.617 -6.311 337 2HD ARG 43 1HD ARG 43 2.500 10.581 -7.645 338 HE ARG 43 HE ARG 43 2.417 13.299 -8.449 339 1HH1 ARG 43 1HH1 ARG 43 4.306 11.020 -6.612 340 2HH1 ARG 43 2HH1 ARG 43 5.797 11.871 -6.844 341 1HH2 ARG 43 1HH2 ARG 43 4.373 14.426 -8.762 342 2HH2 ARG 43 2HH2 ARG 43 5.835 13.808 -8.066 343 H GLU 44 H GLU 44 1.453 8.049 -8.651 344 HA GLU 44 HA GLU 44 4.300 8.399 -9.303 345 1HB GLU 44 2HB GLU 44 4.468 7.108 -6.956 346 2HB GLU 44 1HB GLU 44 4.491 8.860 -7.099 347 1HG GLU 44 2HG GLU 44 2.177 9.002 -6.541 348 2HG GLU 44 1HG GLU 44 2.002 7.254 -6.620 349 H GLN 45 H GLN 45 2.350 5.921 -7.709 350 HA GLN 45 HA GLN 45 2.570 3.611 -7.812 351 1HB GLN 45 2HB GLN 45 1.737 2.777 -10.042 352 2HB GLN 45 1HB GLN 45 0.714 3.966 -9.250 353 1HG GLN 45 2HG GLN 45 1.664 5.711 -10.703 354 2HG GLN 45 1HG GLN 45 2.617 4.478 -11.525 355 1HE2 GLN 45 1HE2 GLN 45 0.478 2.494 -11.343 356 2HE2 GLN 45 2HE2 GLN 45 -0.694 2.949 -12.527 357 HA PRO 46 HA PRO 46 7.054 3.728 -9.195 358 1HB PRO 46 2HB PRO 46 6.868 1.522 -7.184 359 2HB PRO 46 1HB PRO 46 8.147 2.718 -7.427 360 1HG PRO 46 2HG PRO 46 6.394 2.997 -5.444 361 2HG PRO 46 1HG PRO 46 6.955 4.403 -6.367 362 1HD PRO 46 2HD PRO 46 4.336 3.004 -6.458 363 2HD PRO 46 1HD PRO 46 4.716 4.711 -6.747 364 H GLU 47 H GLU 47 7.963 2.498 -10.717 365 HA GLU 47 HA GLU 47 6.438 0.328 -11.853 366 1HB GLU 47 2HB GLU 47 7.489 1.893 -13.361 367 2HB GLU 47 1HB GLU 47 9.067 1.585 -12.649 368 1HG GLU 47 2HG GLU 47 8.873 -0.778 -13.435 369 2HG GLU 47 1HG GLU 47 7.406 -0.308 -14.293 370 H ASN 48 H ASN 48 9.771 0.656 -10.601 371 HA ASN 48 HA ASN 48 10.282 -2.136 -10.652 372 1HB ASN 48 2HB ASN 48 11.686 0.070 -9.130 373 2HB ASN 48 1HB ASN 48 12.307 -1.563 -9.360 374 1HD2 ASN 48 1HD2 ASN 48 13.423 1.008 -10.171 375 2HD2 ASN 48 2HD2 ASN 48 13.639 0.914 -11.882 376 H LEU 49 H LEU 49 7.883 -1.204 -9.118 377 HA LEU 49 HA LEU 49 8.184 -2.965 -6.889 378 1HB LEU 49 2HB LEU 49 8.662 -0.223 -6.465 379 2HB LEU 49 1HB LEU 49 7.044 -0.516 -5.860 380 HG LEU 49 HG LEU 49 8.357 -0.835 -3.977 381 1HD1 LEU 49 1HD1 LEU 49 8.343 -3.199 -3.471 382 2HD1 LEU 49 2HD1 LEU 49 8.180 -3.582 -5.186 383 3HD1 LEU 49 3HD1 LEU 49 6.879 -2.743 -4.341 384 1HD2 LEU 49 1HD2 LEU 49 10.514 -0.709 -5.179 385 2HD2 LEU 49 2HD2 LEU 49 10.337 -2.410 -5.612 386 3HD2 LEU 49 3HD2 LEU 49 10.493 -1.942 -3.918 387 H ARG 50 H ARG 50 6.557 -1.850 -9.406 388 HA ARG 50 HA ARG 50 3.916 -1.432 -8.542 389 1HB ARG 50 2HB ARG 50 4.816 -0.893 -10.811 390 2HB ARG 50 1HB ARG 50 4.835 -2.613 -11.169 391 1HG ARG 50 2HG ARG 50 2.428 -2.720 -10.929 392 2HG ARG 50 1HG ARG 50 2.380 -1.015 -10.477 393 1HD ARG 50 2HD ARG 50 3.411 -0.487 -12.692 394 2HD ARG 50 1HD ARG 50 3.210 -2.183 -13.127 395 HE ARG 50 HE ARG 50 0.724 -1.316 -12.319 396 1HH1 ARG 50 1HH1 ARG 50 3.021 -0.450 -14.795 397 2HH1 ARG 50 2HH1 ARG 50 1.811 0.098 -15.905 398 1HH2 ARG 50 1HH2 ARG 50 -0.873 -0.600 -13.778 399 2HH2 ARG 50 2HH2 ARG 50 -0.400 0.013 -15.328 400 H THR 51 H THR 51 5.742 -4.321 -9.348 401 HA THR 51 HA THR 51 3.750 -6.221 -9.477 402 HB THR 51 HB THR 51 6.407 -6.622 -8.089 403 HG1 THR 51 1HG THR 51 6.605 -5.682 -10.216 404 1HG2 THR 51 1HG2 THR 51 4.824 -8.476 -7.841 405 2HG2 THR 51 2HG2 THR 51 6.185 -8.927 -8.868 406 3HG2 THR 51 3HG2 THR 51 4.623 -8.538 -9.591 407 H TYR 52 H TYR 52 5.466 -5.063 -6.586 408 HA TYR 52 HA TYR 52 4.165 -6.565 -4.660 409 1HB TYR 52 2HB TYR 52 6.178 -5.059 -4.378 410 2HB TYR 52 1HB TYR 52 5.070 -3.692 -4.346 411 HD1 TYR 52 1HD TYR 52 5.253 -2.873 -2.177 412 HD2 TYR 52 2HD TYR 52 4.694 -7.052 -2.757 413 HE1 TYR 52 1HE TYR 52 4.939 -3.159 0.235 414 HE2 TYR 52 2HE TYR 52 4.378 -7.347 -0.345 415 HH TYR 52 HH TYR 52 3.842 -4.776 1.775 416 H PHE 53 H PHE 53 3.315 -3.418 -6.035 417 HA PHE 53 HA PHE 53 1.057 -2.888 -4.491 418 1HB PHE 53 2HB PHE 53 1.756 -1.062 -5.658 419 2HB PHE 53 1HB PHE 53 2.132 -1.976 -7.109 420 HD1 PHE 53 1HD PHE 53 -0.220 0.114 -5.416 421 HD2 PHE 53 2HD PHE 53 0.227 -2.627 -8.635 422 HE1 PHE 53 1HE PHE 53 -2.248 1.030 -6.461 423 HE2 PHE 53 2HE PHE 53 -1.808 -1.729 -9.684 424 HZ PHE 53 HZ PHE 53 -3.049 0.102 -8.601 425 H MET 54 H MET 54 1.464 -4.874 -7.364 426 HA MET 54 HA MET 54 -1.319 -5.314 -7.816 427 1HB MET 54 2HB MET 54 0.879 -7.217 -8.612 428 2HB MET 54 1HB MET 54 -0.663 -6.943 -9.410 429 1HG MET 54 2HG MET 54 0.400 -4.485 -9.585 430 2HG MET 54 1HG MET 54 1.865 -5.461 -9.611 431 1HE MET 54 1HE MET 54 1.293 -7.760 -12.713 432 2HE MET 54 2HE MET 54 1.005 -8.103 -11.008 433 3HE MET 54 3HE MET 54 2.455 -7.228 -11.497 434 H GLU 55 H GLU 55 1.229 -7.063 -6.163 435 HA GLU 55 HA GLU 55 -0.163 -9.339 -5.368 436 1HB GLU 55 2HB GLU 55 1.979 -7.851 -3.829 437 2HB GLU 55 1HB GLU 55 1.505 -9.524 -3.567 438 1HG GLU 55 2HG GLU 55 2.206 -9.964 -5.950 439 2HG GLU 55 1HG GLU 55 2.906 -8.349 -5.945 440 H ARG 56 H ARG 56 0.049 -6.128 -4.037 441 HA ARG 56 HA ARG 56 -1.515 -6.628 -1.724 442 1HB ARG 56 2HB ARG 56 -0.716 -4.110 -3.168 443 2HB ARG 56 1HB ARG 56 -1.752 -4.079 -1.750 444 1HG ARG 56 2HG ARG 56 1.010 -5.269 -1.824 445 2HG ARG 56 1HG ARG 56 0.623 -3.650 -1.241 446 1HD ARG 56 2HD ARG 56 -0.916 -4.694 0.420 447 2HD ARG 56 1HD ARG 56 -0.334 -6.274 -0.102 448 HE ARG 56 HE ARG 56 1.933 -4.929 0.552 449 1HH1 ARG 56 1HH1 ARG 56 -1.047 -5.613 2.223 450 2HH1 ARG 56 2HH1 ARG 56 -0.311 -5.630 3.792 451 1HH2 ARG 56 1HH2 ARG 56 2.908 -4.946 2.609 452 2HH2 ARG 56 2HH2 ARG 56 1.937 -5.249 4.012 453 H LEU 57 H LEU 57 -2.246 -5.474 -4.997 454 HA LEU 57 HA LEU 57 -4.877 -4.691 -4.670 455 1HB LEU 57 2HB LEU 57 -3.624 -6.149 -6.993 456 2HB LEU 57 1HB LEU 57 -5.230 -5.450 -7.035 457 HG LEU 57 HG LEU 57 -2.686 -3.917 -6.598 458 1HD1 LEU 57 1HD1 LEU 57 -2.671 -4.645 -8.843 459 2HD1 LEU 57 2HD1 LEU 57 -3.298 -2.996 -8.885 460 3HD1 LEU 57 3HD1 LEU 57 -4.402 -4.361 -9.024 461 1HD2 LEU 57 1HD2 LEU 57 -4.124 -1.941 -6.958 462 2HD2 LEU 57 2HD2 LEU 57 -4.558 -2.847 -5.507 463 3HD2 LEU 57 3HD2 LEU 57 -5.534 -3.003 -6.968 464 H ARG 58 H ARG 58 -3.826 -7.918 -5.772 465 HA ARG 58 HA ARG 58 -6.284 -9.166 -5.631 466 1HB ARG 58 2HB ARG 58 -5.099 -11.254 -5.593 467 2HB ARG 58 1HB ARG 58 -4.189 -10.134 -6.595 468 1HG ARG 58 2HG ARG 58 -2.601 -9.763 -4.828 469 2HG ARG 58 1HG ARG 58 -3.548 -10.760 -3.725 470 1HD ARG 58 2HD ARG 58 -1.698 -12.052 -4.561 471 2HD ARG 58 1HD ARG 58 -3.199 -12.685 -5.232 472 HE ARG 58 HE ARG 58 -2.082 -10.805 -7.010 473 1HH1 ARG 58 1HH1 ARG 58 -1.567 -14.037 -5.803 474 2HH1 ARG 58 2HH1 ARG 58 -0.765 -14.582 -7.237 475 1HH2 ARG 58 1HH2 ARG 58 -1.024 -11.519 -8.900 476 2HH2 ARG 58 2HH2 ARG 58 -0.458 -13.152 -8.997 477 H HIS 59 H HIS 59 -3.947 -8.450 -3.115 478 HA HIS 59 HA HIS 59 -5.164 -10.002 -1.074 479 1HB HIS 59 2HB HIS 59 -2.849 -9.017 -0.991 480 2HB HIS 59 1HB HIS 59 -3.590 -7.451 -0.681 481 HD1 HIS 59 1HD HIS 59 -2.691 -10.653 0.946 482 HD2 HIS 59 2HD HIS 59 -4.801 -7.199 1.885 483 HE1 HIS 59 1HE HIS 59 -2.993 -10.708 3.441 484 HE2 HIS 59 2HE HIS 59 -4.194 -8.565 3.997 485 H TYR 60 H TYR 60 -5.461 -6.552 -1.855 486 HA TYR 60 HA TYR 60 -7.367 -5.968 0.148 487 1HB TYR 60 2HB TYR 60 -6.614 -4.571 -2.422 488 2HB TYR 60 1HB TYR 60 -7.833 -3.935 -1.323 489 HD1 TYR 60 1HD TYR 60 -4.411 -3.909 -2.152 490 HD2 TYR 60 2HD TYR 60 -7.040 -3.641 1.175 491 HE1 TYR 60 1HE TYR 60 -2.628 -2.838 -0.851 492 HE2 TYR 60 2HE TYR 60 -5.271 -2.549 2.487 493 HH TYR 60 HH TYR 60 -2.909 -2.292 2.544 494 H ARG 61 H ARG 61 -7.538 -7.262 -3.060 495 HA ARG 61 HA ARG 61 -10.316 -6.918 -3.481 496 1HB ARG 61 2HB ARG 61 -8.313 -8.829 -4.693 497 2HB ARG 61 1HB ARG 61 -9.991 -8.738 -5.207 498 1HG ARG 61 2HG ARG 61 -9.713 -6.503 -5.984 499 2HG ARG 61 1HG ARG 61 -8.107 -6.395 -5.263 500 1HD ARG 61 2HD ARG 61 -7.406 -8.270 -6.773 501 2HD ARG 61 1HD ARG 61 -8.967 -8.120 -7.578 502 HE ARG 61 HE ARG 61 -7.984 -5.609 -7.698 503 1HH1 ARG 61 1HH1 ARG 61 -6.659 -8.719 -8.547 504 2HH1 ARG 61 2HH1 ARG 61 -5.659 -8.090 -9.814 505 1HH2 ARG 61 1HH2 ARG 61 -6.668 -4.774 -9.364 506 2HH2 ARG 61 2HH2 ARG 61 -5.663 -5.849 -10.277 507 H GLN 62 H GLN 62 -8.332 -9.562 -2.210 508 HA GLN 62 HA GLN 62 -10.186 -11.563 -1.945 509 1HB GLN 62 2HB GLN 62 -7.921 -10.737 -0.139 510 2HB GLN 62 1HB GLN 62 -8.912 -12.146 0.217 511 1HG GLN 62 2HG GLN 62 -8.250 -13.208 -1.817 512 2HG GLN 62 1HG GLN 62 -7.418 -11.755 -2.361 513 1HE2 GLN 62 1HE2 GLN 62 -5.463 -12.817 -2.590 514 2HE2 GLN 62 2HE2 GLN 62 -4.517 -13.321 -1.235 515 H LEU 63 H LEU 63 -9.642 -8.808 0.220 516 HA LEU 63 HA LEU 63 -11.827 -9.571 1.935 517 1HB LEU 63 2HB LEU 63 -10.139 -7.078 1.796 518 2HB LEU 63 1HB LEU 63 -11.452 -7.285 2.940 519 HG LEU 63 HG LEU 63 -9.408 -7.752 4.078 520 1HD1 LEU 63 1HD1 LEU 63 -9.772 -10.008 4.855 521 2HD1 LEU 63 2HD1 LEU 63 -10.726 -10.379 3.419 522 3HD1 LEU 63 3HD1 LEU 63 -11.322 -9.208 4.595 523 1HD2 LEU 63 1HD2 LEU 63 -7.822 -9.435 3.353 524 2HD2 LEU 63 2HD2 LEU 63 -8.025 -8.210 2.100 525 3HD2 LEU 63 3HD2 LEU 63 -8.806 -9.781 1.931 526 H SER 64 H SER 64 -11.292 -7.160 -0.606 527 HA SER 64 HA SER 64 -13.520 -5.603 -0.417 528 1HB SER 64 2HB SER 64 -13.257 -5.047 -2.697 529 2HB SER 64 1HB SER 64 -11.641 -5.493 -2.152 530 HG SER 64 HG SER 64 -12.003 -6.541 -4.068 531 H LEU 65 H LEU 65 -13.415 -8.929 -1.139 532 HA LEU 65 HA LEU 65 -16.161 -8.954 -2.151 533 1HB LEU 65 2HB LEU 65 -14.927 -11.563 -1.689 534 2HB LEU 65 1HB LEU 65 -15.725 -10.938 -3.117 535 HG LEU 65 HG LEU 65 -12.852 -10.412 -2.352 536 1HD1 LEU 65 1HD1 LEU 65 -13.122 -12.705 -2.985 537 2HD1 LEU 65 2HD1 LEU 65 -12.364 -11.841 -4.321 538 3HD1 LEU 65 3HD1 LEU 65 -14.078 -12.253 -4.395 539 1HD2 LEU 65 1HD2 LEU 65 -14.137 -9.830 -5.003 540 2HD2 LEU 65 2HD2 LEU 65 -12.594 -9.251 -4.367 541 3HD2 LEU 65 3HD2 LEU 65 -14.110 -8.638 -3.703 542 H GLN 66 H GLN 66 -14.248 -10.574 0.402 543 HA GLN 66 HA GLN 66 -16.386 -11.664 1.780 544 1HB GLN 66 2HB GLN 66 -14.842 -12.437 3.231 545 2HB GLN 66 1HB GLN 66 -13.719 -11.849 2.017 546 1HG GLN 66 2HG GLN 66 -12.892 -11.150 4.109 547 2HG GLN 66 1HG GLN 66 -13.566 -9.717 3.336 548 1HE2 GLN 66 1HE2 GLN 66 -14.018 -8.560 5.136 549 2HE2 GLN 66 2HE2 GLN 66 -15.221 -9.012 6.293 550 H LEU 67 H LEU 67 -14.728 -8.572 2.610 551 HA LEU 67 HA LEU 67 -16.505 -8.035 4.737 552 1HB LEU 67 2HB LEU 67 -15.545 -5.649 4.472 553 2HB LEU 67 1HB LEU 67 -14.509 -6.953 5.022 554 HG LEU 67 HG LEU 67 -13.606 -7.187 2.767 555 1HD1 LEU 67 1HD1 LEU 67 -15.501 -6.519 1.487 556 2HD1 LEU 67 2HD1 LEU 67 -14.162 -5.434 1.100 557 3HD1 LEU 67 3HD1 LEU 67 -15.455 -4.897 2.171 558 1HD2 LEU 67 1HD2 LEU 67 -13.492 -4.439 3.981 559 2HD2 LEU 67 2HD2 LEU 67 -12.447 -4.966 2.660 560 3HD2 LEU 67 3HD2 LEU 67 -12.370 -5.778 4.226 561 HA PRO 68 HA PRO 68 -19.885 -6.089 2.754 562 1HB PRO 68 2HB PRO 68 -20.869 -4.552 4.620 563 2HB PRO 68 1HB PRO 68 -20.623 -6.278 4.967 564 1HG PRO 68 2HG PRO 68 -18.817 -3.969 5.624 565 2HG PRO 68 1HG PRO 68 -19.463 -5.206 6.729 566 1HD PRO 68 2HD PRO 68 -17.014 -5.394 5.570 567 2HD PRO 68 1HD PRO 68 -18.007 -6.815 5.957 568 H LYS 69 H LYS 69 -19.848 -3.175 4.415 569 HA LYS 69 HA LYS 69 -18.810 -1.773 2.070 570 1HB LYS 69 2HB LYS 69 -20.977 -0.931 3.988 571 2HB LYS 69 1HB LYS 69 -20.381 0.046 2.651 572 1HG LYS 69 2HG LYS 69 -21.286 -1.393 1.047 573 2HG LYS 69 1HG LYS 69 -21.506 -2.692 2.223 574 1HD LYS 69 2HD LYS 69 -22.964 -0.062 2.395 575 2HD LYS 69 1HD LYS 69 -23.603 -1.453 1.516 576 1HE LYS 69 2HE LYS 69 -23.597 -2.778 3.537 577 2HE LYS 69 1HE LYS 69 -22.837 -1.462 4.432 578 1HZ LYS 69 1HZ LYS 69 -25.239 -1.601 4.811 579 2HZ LYS 69 2HZ LYS 69 -25.519 -1.322 3.166 580 3HZ LYS 69 3HZ LYS 69 -24.795 -0.123 4.114 581 H GLY 70 H GLY 70 -17.952 -2.567 5.068 582 1HA GLY 70 2HA GLY 70 -16.036 -0.450 5.279 583 2HA GLY 70 1HA GLY 70 -17.300 -0.302 6.487 584 H SER 71 H SER 71 -17.543 -3.302 6.540 585 HA SER 71 HA SER 71 -16.758 -5.052 7.754 586 1HB SER 71 2HB SER 71 -14.878 -4.940 6.134 587 2HB SER 71 1HB SER 71 -14.026 -3.857 7.234 588 HG SER 71 HG SER 71 -14.483 -6.593 7.421 589 H ASP 72 H ASP 72 -15.245 -5.593 9.712 590 HA ASP 72 HA ASP 72 -14.827 -3.383 11.525 591 1HB ASP 72 2HB ASP 72 -17.183 -3.779 11.894 592 2HB ASP 72 1HB ASP 72 -16.905 -5.507 12.087 593 HA PRO 73 HA PRO 73 -11.428 -5.917 12.781 594 1HB PRO 73 2HB PRO 73 -11.906 -4.865 15.507 595 2HB PRO 73 1HB PRO 73 -10.460 -4.793 14.505 596 1HG PRO 73 2HG PRO 73 -12.001 -2.643 14.924 597 2HG PRO 73 1HG PRO 73 -11.136 -2.911 13.402 598 1HD PRO 73 2HD PRO 73 -14.024 -3.209 14.015 599 2HD PRO 73 1HD PRO 73 -13.221 -2.750 12.507 600 H ALA 74 H ALA 74 -14.233 -5.806 14.939 601 HA ALA 74 HA ALA 74 -13.627 -8.385 16.094 602 1HB ALA 74 1HB ALA 74 -16.038 -6.608 16.438 603 2HB ALA 74 2HB ALA 74 -14.614 -6.640 17.478 604 3HB ALA 74 3HB ALA 74 -15.675 -8.047 17.390 605 H TYR 75 H TYR 75 -14.451 -7.841 13.152 606 HA TYR 75 HA TYR 75 -16.603 -9.842 13.020 607 1HB TYR 75 2HB TYR 75 -17.090 -7.565 12.081 608 2HB TYR 75 1HB TYR 75 -15.828 -7.844 10.893 609 HD1 TYR 75 1HD TYR 75 -18.959 -9.418 12.179 610 HD2 TYR 75 2HD TYR 75 -16.408 -8.743 8.842 611 HE1 TYR 75 1HE TYR 75 -20.594 -10.526 10.713 612 HE2 TYR 75 2HE TYR 75 -18.036 -9.849 7.366 613 HH TYR 75 HH TYR 75 -21.209 -10.568 8.339 614 H GLN 76 H GLN 76 -13.423 -9.528 12.801 615 HA GLN 76 HA GLN 76 -12.879 -11.027 10.410 616 1HB GLN 76 2HB GLN 76 -11.032 -10.380 12.708 617 2HB GLN 76 1HB GLN 76 -10.554 -10.937 11.107 618 1HG GLN 76 2HG GLN 76 -12.076 -8.405 11.562 619 2HG GLN 76 1HG GLN 76 -10.314 -8.468 11.551 620 1HE2 GLN 76 1HE2 GLN 76 -13.214 -8.623 9.690 621 2HE2 GLN 76 2HE2 GLN 76 -12.473 -8.583 8.128 622 H LYS 77 H LYS 77 -13.325 -13.091 10.279 623 HA LYS 77 HA LYS 77 -12.588 -14.850 12.513 624 1HB LYS 77 2HB LYS 77 -14.587 -16.158 12.288 625 2HB LYS 77 1HB LYS 77 -15.058 -14.479 12.493 626 1HG LYS 77 2HG LYS 77 -14.862 -15.776 9.792 627 2HG LYS 77 1HG LYS 77 -16.329 -15.824 10.770 628 1HD LYS 77 2HD LYS 77 -16.328 -13.355 10.830 629 2HD LYS 77 1HD LYS 77 -14.916 -13.353 9.771 630 1HE LYS 77 2HE LYS 77 -16.933 -12.977 8.479 631 2HE LYS 77 1HE LYS 77 -16.220 -14.533 8.057 632 1HZ LYS 77 1HZ LYS 77 -18.626 -14.675 8.313 633 2HZ LYS 77 2HZ LYS 77 -18.507 -14.140 9.914 634 3HZ LYS 77 3HZ LYS 77 -17.837 -15.628 9.467 635 H ASP 78 H ASP 78 -12.022 -17.000 11.922 636 HA ASP 78 HA ASP 78 -10.714 -17.139 9.368 637 1HB ASP 78 2HB ASP 78 -9.839 -18.080 11.577 638 2HB ASP 78 1HB ASP 78 -10.988 -19.396 11.348 639 H ASP 79 H ASP 79 -13.460 -18.761 10.913 640 HA ASP 79 HA ASP 79 -14.429 -19.518 8.261 641 1HB ASP 79 2HB ASP 79 -14.089 -21.449 10.560 642 2HB ASP 79 1HB ASP 79 -15.045 -21.790 9.123 643 H ALA 80 H ALA 80 -15.133 -19.557 11.746 644 HA ALA 80 HA ALA 80 -17.623 -18.186 11.322 645 1HB ALA 80 1HB ALA 80 -18.262 -20.496 10.773 646 2HB ALA 80 2HB ALA 80 -19.087 -19.900 12.214 647 3HB ALA 80 3HB ALA 80 -17.726 -21.011 12.373 648 H VAL 81 H VAL 81 -14.986 -18.350 12.955 649 HA VAL 81 HA VAL 81 -16.244 -17.612 15.509 650 HB VAL 81 HB VAL 81 -13.653 -19.152 15.317 651 1HG1 VAL 81 1HG1 VAL 81 -13.774 -17.728 17.266 652 2HG1 VAL 81 2HG1 VAL 81 -13.960 -19.412 17.753 653 3HG1 VAL 81 3HG1 VAL 81 -15.371 -18.359 17.666 654 1HG2 VAL 81 1HG2 VAL 81 -15.481 -20.593 14.632 655 2HG2 VAL 81 2HG2 VAL 81 -16.407 -20.135 16.061 656 3HG2 VAL 81 3HG2 VAL 81 -14.914 -21.058 16.236 657 H LYS 82 H LYS 82 -15.730 -15.610 16.072 658 HA LYS 82 HA LYS 82 -13.914 -14.008 14.646 659 1HB LYS 82 2HB LYS 82 -15.373 -13.671 17.249 660 2HB LYS 82 1HB LYS 82 -14.199 -12.472 16.726 661 1HG LYS 82 2HG LYS 82 -16.420 -11.778 16.104 662 2HG LYS 82 1HG LYS 82 -15.484 -12.144 14.655 663 1HD LYS 82 2HD LYS 82 -16.584 -14.262 14.409 664 2HD LYS 82 1HD LYS 82 -17.401 -14.069 15.961 665 1HE LYS 82 2HE LYS 82 -18.902 -13.588 14.088 666 2HE LYS 82 1HE LYS 82 -18.640 -12.163 15.091 667 1HZ LYS 82 1HZ LYS 82 -17.289 -12.735 12.508 668 2HZ LYS 82 2HZ LYS 82 -17.030 -11.369 13.470 669 3HZ LYS 82 3HZ LYS 82 -18.537 -11.616 12.746 670 H LYS 83 H LYS 83 -11.786 -13.796 14.773 671 HA LYS 83 HA LYS 83 -10.402 -15.017 17.054 672 1HB LYS 83 2HB LYS 83 -8.375 -14.867 15.540 673 2HB LYS 83 1HB LYS 83 -9.640 -15.975 15.031 674 1HG LYS 83 2HG LYS 83 -10.437 -14.354 13.407 675 2HG LYS 83 1HG LYS 83 -9.221 -13.196 13.947 676 1HD LYS 83 2HD LYS 83 -7.452 -14.761 13.268 677 2HD LYS 83 1HD LYS 83 -8.682 -15.890 12.697 678 1HE LYS 83 2HE LYS 83 -8.234 -13.094 11.656 679 2HE LYS 83 1HE LYS 83 -7.723 -14.583 10.861 680 1HZ LYS 83 1HZ LYS 83 -10.042 -15.241 10.686 681 2HZ LYS 83 2HZ LYS 83 -9.785 -13.751 9.929 682 3HZ LYS 83 3HZ LYS 83 -10.530 -13.810 11.446 Start of MODEL 7 1 1H MET 1 1HT MET 1 -2.266 18.329 5.377 2 2H MET 1 2HT MET 1 -3.379 18.118 6.633 3 3H MET 1 3HT MET 1 -3.775 17.632 5.062 4 HA MET 1 HA MET 1 -1.628 16.466 6.734 5 1HB MET 1 2HB MET 1 -4.317 15.335 5.931 6 2HB MET 1 1HB MET 1 -3.076 14.480 6.835 7 1HG MET 1 2HG MET 1 -4.540 16.943 7.750 8 2HG MET 1 1HG MET 1 -4.848 15.292 8.287 9 1HE MET 1 1HE MET 1 -3.234 16.929 11.453 10 2HE MET 1 2HE MET 1 -4.607 16.019 10.825 11 3HE MET 1 3HE MET 1 -4.338 17.682 10.301 12 H TYR 2 H TYR 2 -3.757 15.323 4.137 13 HA TYR 2 HA TYR 2 -3.346 14.350 2.136 14 1HB TYR 2 2HB TYR 2 -1.558 16.529 2.283 15 2HB TYR 2 1HB TYR 2 -0.649 15.175 1.622 16 HD1 TYR 2 1HD TYR 2 -3.778 17.128 1.158 17 HD2 TYR 2 2HD TYR 2 -0.864 14.604 -0.635 18 HE1 TYR 2 1HE TYR 2 -4.788 17.539 -1.048 19 HE2 TYR 2 2HE TYR 2 -1.861 15.007 -2.846 20 HH TYR 2 HH TYR 2 -4.115 17.461 -3.428 21 H ASP 3 H ASP 3 -2.012 13.485 4.808 22 HA ASP 3 HA ASP 3 -0.345 11.356 3.658 23 1HB ASP 3 2HB ASP 3 0.687 11.216 5.931 24 2HB ASP 3 1HB ASP 3 0.977 12.746 5.117 25 H TRP 4 H TRP 4 -0.328 9.333 5.091 26 HA TRP 4 HA TRP 4 -2.614 8.804 6.704 27 1HB TRP 4 2HB TRP 4 -3.565 7.024 5.198 28 2HB TRP 4 1HB TRP 4 -3.817 8.673 4.639 29 HD1 TRP 4 HD TRP 4 -1.563 5.622 3.900 30 HE1 TRP 4 1HE TRP 4 -0.820 5.757 1.442 31 HE3 TRP 4 3HE TRP 4 -3.577 10.164 2.687 32 HZ2 TRP 4 2HZ TRP 4 -1.054 7.549 -0.730 33 HZ3 TRP 4 3HZ TRP 4 -3.273 11.014 0.398 34 HH2 TRP 4 HH TRP 4 -2.037 9.733 -1.273 35 H ASN 5 H ASN 5 0.178 7.697 4.930 36 HA ASN 5 HA ASN 5 0.338 5.251 6.465 37 1HB ASN 5 2HB ASN 5 2.482 4.928 5.143 38 2HB ASN 5 1HB ASN 5 0.993 4.973 4.201 39 1HD2 ASN 5 1HD2 ASN 5 3.921 6.643 5.025 40 2HD2 ASN 5 2HD2 ASN 5 3.841 7.826 3.767 41 H ILE 6 H ILE 6 2.242 8.105 5.976 42 HA ILE 6 HA ILE 6 3.775 9.226 7.165 43 HB ILE 6 HB ILE 6 2.070 7.934 9.215 44 1HG1 ILE 6 2HG1 ILE 6 2.268 10.715 8.089 45 2HG1 ILE 6 1HG1 ILE 6 0.948 9.569 7.902 46 1HG2 ILE 6 1HG2 ILE 6 4.267 9.935 9.743 47 2HG2 ILE 6 2HG2 ILE 6 4.178 8.284 10.351 48 3HG2 ILE 6 3HG2 ILE 6 3.025 9.492 10.912 49 1HD1 ILE 6 1HD1 ILE 6 1.737 11.004 10.426 50 2HD1 ILE 6 2HD1 ILE 6 0.485 9.766 10.319 51 3HD1 ILE 6 3HD1 ILE 6 0.302 11.285 9.441 52 H ALA 7 H ALA 7 3.800 6.036 6.826 53 HA ALA 7 HA ALA 7 6.195 5.642 8.434 54 1HB ALA 7 1HB ALA 7 4.329 4.086 8.876 55 2HB ALA 7 2HB ALA 7 5.797 3.269 8.337 56 3HB ALA 7 3HB ALA 7 4.458 3.510 7.214 57 H ALA 8 H ALA 8 7.496 6.760 6.877 58 HA ALA 8 HA ALA 8 8.531 4.957 4.856 59 1HB ALA 8 1HB ALA 8 8.367 6.553 3.030 60 2HB ALA 8 2HB ALA 8 7.531 7.696 4.079 61 3HB ALA 8 3HB ALA 8 6.764 6.165 3.654 62 H LYS 9 H LYS 9 10.388 4.957 6.160 63 HA LYS 9 HA LYS 9 11.850 7.505 6.314 64 1HB LYS 9 2HB LYS 9 11.306 5.872 8.357 65 2HB LYS 9 1HB LYS 9 12.780 5.096 7.795 66 1HG LYS 9 2HG LYS 9 13.372 6.629 9.510 67 2HG LYS 9 1HG LYS 9 13.922 7.308 7.975 68 1HD LYS 9 2HD LYS 9 11.206 8.093 8.701 69 2HD LYS 9 1HD LYS 9 12.427 8.627 9.860 70 1HE LYS 9 2HE LYS 9 12.495 9.116 6.882 71 2HE LYS 9 1HE LYS 9 12.020 10.297 8.101 72 1HZ LYS 9 1HZ LYS 9 14.247 10.136 9.053 73 2HZ LYS 9 2HZ LYS 9 14.304 10.627 7.436 74 3HZ LYS 9 3HZ LYS 9 14.697 9.035 7.850 75 H SER 10 H SER 10 12.935 4.128 6.315 76 HA SER 10 HA SER 10 15.215 4.695 4.721 77 1HB SER 10 2HB SER 10 15.250 2.827 6.274 78 2HB SER 10 1HB SER 10 13.905 2.059 5.431 79 HG SER 10 HG SER 10 15.233 1.350 3.953 80 H GLN 11 H GLN 11 15.459 4.745 2.596 81 HA GLN 11 HA GLN 11 13.473 5.022 0.774 82 1HB GLN 11 2HB GLN 11 15.633 5.614 0.088 83 2HB GLN 11 1HB GLN 11 16.286 4.024 0.458 84 1HG GLN 11 2HG GLN 11 15.388 3.069 -1.462 85 2HG GLN 11 1HG GLN 11 14.237 4.382 -1.694 86 1HE2 GLN 11 1HE2 GLN 11 17.531 3.344 -2.070 87 2HE2 GLN 11 2HE2 GLN 11 18.031 4.618 -3.124 88 H GLU 12 H GLU 12 15.256 1.955 1.229 89 HA GLU 12 HA GLU 12 13.895 0.379 -0.554 90 1HB GLU 12 2HB GLU 12 14.930 -0.396 2.180 91 2HB GLU 12 1HB GLU 12 14.428 -1.545 0.948 92 1HG GLU 12 2HG GLU 12 16.773 -1.433 0.840 93 2HG GLU 12 1HG GLU 12 16.172 -0.537 -0.552 94 H GLU 13 H GLU 13 12.834 1.493 2.574 95 HA GLU 13 HA GLU 13 10.525 -0.235 2.634 96 1HB GLU 13 2HB GLU 13 11.090 2.163 4.379 97 2HB GLU 13 1HB GLU 13 9.995 0.829 4.719 98 1HG GLU 13 2HG GLU 13 12.991 0.633 4.511 99 2HG GLU 13 1HG GLU 13 12.055 0.654 6.005 100 H ARG 14 H ARG 14 11.269 3.059 1.694 101 HA ARG 14 HA ARG 14 8.612 4.033 1.622 102 1HB ARG 14 2HB ARG 14 10.821 4.996 -0.185 103 2HB ARG 14 1HB ARG 14 9.472 5.911 0.474 104 1HG ARG 14 2HG ARG 14 10.457 5.737 2.707 105 2HG ARG 14 1HG ARG 14 11.813 4.841 2.027 106 1HD ARG 14 2HD ARG 14 12.452 7.143 2.301 107 2HD ARG 14 1HD ARG 14 12.316 6.779 0.581 108 HE ARG 14 HE ARG 14 9.942 7.913 1.764 109 1HH1 ARG 14 1HH1 ARG 14 12.959 8.542 0.142 110 2HH1 ARG 14 2HH1 ARG 14 12.478 10.105 -0.427 111 1HH2 ARG 14 1HH2 ARG 14 9.297 9.971 1.021 112 2HH2 ARG 14 2HH2 ARG 14 10.395 10.917 0.075 113 H ASP 15 H ASP 15 10.692 2.564 -0.831 114 HA ASP 15 HA ASP 15 8.987 2.911 -3.016 115 1HB ASP 15 2HB ASP 15 11.034 0.744 -2.540 116 2HB ASP 15 1HB ASP 15 10.309 1.135 -4.096 117 H LYS 16 H LYS 16 9.359 0.050 -0.908 118 HA LYS 16 HA LYS 16 7.355 -1.434 -2.285 119 1HB LYS 16 2HB LYS 16 8.451 -1.910 0.485 120 2HB LYS 16 1HB LYS 16 7.573 -3.069 -0.505 121 1HG LYS 16 2HG LYS 16 9.502 -2.611 -2.211 122 2HG LYS 16 1HG LYS 16 10.367 -2.081 -0.768 123 1HD LYS 16 2HD LYS 16 10.896 -4.363 -1.003 124 2HD LYS 16 1HD LYS 16 9.672 -4.301 0.266 125 1HE LYS 16 2HE LYS 16 7.952 -4.934 -1.322 126 2HE LYS 16 1HE LYS 16 9.126 -4.912 -2.637 127 1HZ LYS 16 1HZ LYS 16 9.163 -6.748 -0.302 128 2HZ LYS 16 2HZ LYS 16 10.318 -6.716 -1.537 129 3HZ LYS 16 3HZ LYS 16 8.722 -7.159 -1.883 130 H VAL 17 H VAL 17 7.261 0.639 0.572 131 HA VAL 17 HA VAL 17 4.619 -0.225 1.300 132 HB VAL 17 HB VAL 17 6.145 2.194 2.254 133 1HG1 VAL 17 1HG1 VAL 17 4.524 2.086 4.148 134 2HG1 VAL 17 2HG1 VAL 17 3.611 0.888 3.225 135 3HG1 VAL 17 3HG1 VAL 17 3.799 2.528 2.601 136 1HG2 VAL 17 1HG2 VAL 17 6.716 0.874 4.179 137 2HG2 VAL 17 2HG2 VAL 17 7.188 -0.029 2.739 138 3HG2 VAL 17 3HG2 VAL 17 5.721 -0.467 3.612 139 H ASN 18 H ASN 18 5.913 2.737 -0.240 140 HA ASN 18 HA ASN 18 3.501 4.109 -0.486 141 1HB ASN 18 2HB ASN 18 5.848 4.082 -2.384 142 2HB ASN 18 1HB ASN 18 4.533 5.242 -2.448 143 1HD2 ASN 18 1HD2 ASN 18 5.773 4.082 0.596 144 2HD2 ASN 18 2HD2 ASN 18 6.564 5.546 1.057 145 H VAL 19 H VAL 19 4.729 1.368 -2.171 146 HA VAL 19 HA VAL 19 2.784 1.524 -4.316 147 HB VAL 19 HB VAL 19 5.268 0.245 -3.994 148 1HG1 VAL 19 1HG1 VAL 19 3.076 -1.793 -4.349 149 2HG1 VAL 19 2HG1 VAL 19 4.177 -1.673 -2.978 150 3HG1 VAL 19 3HG1 VAL 19 4.799 -2.087 -4.575 151 1HG2 VAL 19 1HG2 VAL 19 4.865 -0.469 -6.348 152 2HG2 VAL 19 2HG2 VAL 19 4.554 1.240 -6.041 153 3HG2 VAL 19 3HG2 VAL 19 3.207 0.111 -6.184 154 H ASP 20 H ASP 20 3.306 -0.079 -1.286 155 HA ASP 20 HA ASP 20 1.286 -2.035 -1.446 156 1HB ASP 20 2HB ASP 20 3.039 -2.165 0.241 157 2HB ASP 20 1HB ASP 20 2.496 -0.654 0.963 158 H LEU 21 H LEU 21 1.329 1.302 -0.300 159 HA LEU 21 HA LEU 21 -1.422 1.243 0.479 160 1HB LEU 21 2HB LEU 21 -1.163 3.684 0.799 161 2HB LEU 21 1HB LEU 21 0.031 2.740 1.666 162 HG LEU 21 HG LEU 21 1.508 3.239 -0.458 163 1HD1 LEU 21 1HD1 LEU 21 -0.053 4.355 -1.834 164 2HD1 LEU 21 2HD1 LEU 21 1.031 5.599 -1.213 165 3HD1 LEU 21 3HD1 LEU 21 -0.577 5.402 -0.517 166 1HD2 LEU 21 1HD2 LEU 21 2.448 5.128 0.707 167 2HD2 LEU 21 2HD2 LEU 21 1.959 3.900 1.875 168 3HD2 LEU 21 3HD2 LEU 21 0.962 5.335 1.635 169 H ALA 22 H ALA 22 0.440 2.177 -2.329 170 HA ALA 22 HA ALA 22 -1.367 3.646 -3.780 171 1HB ALA 22 1HB ALA 22 0.864 3.240 -4.590 172 2HB ALA 22 2HB ALA 22 -0.292 2.688 -5.804 173 3HB ALA 22 3HB ALA 22 0.527 1.519 -4.767 174 H ALA 23 H ALA 23 -1.129 0.104 -3.616 175 HA ALA 23 HA ALA 23 -3.374 -0.394 -5.283 176 1HB ALA 23 1HB ALA 23 -2.106 -2.189 -3.216 177 2HB ALA 23 2HB ALA 23 -1.615 -2.059 -4.904 178 3HB ALA 23 3HB ALA 23 -3.208 -2.692 -4.497 179 H SER 24 H SER 24 -2.922 0.003 -1.830 180 HA SER 24 HA SER 24 -5.397 -0.948 -0.944 181 1HB SER 24 2HB SER 24 -3.583 -0.477 0.610 182 2HB SER 24 1HB SER 24 -3.669 1.242 0.230 183 HG SER 24 HG SER 24 -5.570 1.396 1.285 184 H GLY 25 H GLY 25 -4.480 2.476 -1.438 185 1HA GLY 25 2HA GLY 25 -6.982 3.574 -0.974 186 2HA GLY 25 1HA GLY 25 -5.755 4.292 -2.004 187 H VAL 26 H VAL 26 -5.646 2.358 -4.016 188 HA VAL 26 HA VAL 26 -7.630 3.227 -5.741 189 HB VAL 26 HB VAL 26 -5.873 0.784 -5.840 190 1HG1 VAL 26 1HG1 VAL 26 -6.481 0.610 -8.231 191 2HG1 VAL 26 2HG1 VAL 26 -7.735 1.825 -7.977 192 3HG1 VAL 26 3HG1 VAL 26 -7.837 0.268 -7.157 193 1HG2 VAL 26 1HG2 VAL 26 -4.631 2.067 -7.478 194 2HG2 VAL 26 2HG2 VAL 26 -4.790 2.988 -5.982 195 3HG2 VAL 26 3HG2 VAL 26 -5.801 3.381 -7.371 196 H ALA 27 H ALA 27 -7.431 -0.075 -4.349 197 HA ALA 27 HA ALA 27 -10.199 -0.534 -5.100 198 1HB ALA 27 1HB ALA 27 -8.529 -2.264 -5.523 199 2HB ALA 27 2HB ALA 27 -9.806 -2.835 -4.448 200 3HB ALA 27 3HB ALA 27 -8.231 -2.397 -3.789 201 H TYR 28 H TYR 28 -8.319 -0.841 -2.084 202 HA TYR 28 HA TYR 28 -10.276 -1.527 -0.325 203 1HB TYR 28 2HB TYR 28 -7.652 -0.479 -0.155 204 2HB TYR 28 1HB TYR 28 -8.648 0.448 0.956 205 HD1 TYR 28 1HD TYR 28 -7.514 -0.394 2.944 206 HD2 TYR 28 2HD TYR 28 -9.338 -3.070 0.183 207 HE1 TYR 28 1HE TYR 28 -7.332 -2.208 4.590 208 HE2 TYR 28 2HE TYR 28 -9.153 -4.893 1.823 209 HH TYR 28 HH TYR 28 -7.765 -5.462 3.799 210 H LYS 29 H LYS 29 -9.725 1.741 -1.594 211 HA LYS 29 HA LYS 29 -11.434 3.024 0.264 212 1HB LYS 29 2HB LYS 29 -9.849 4.361 -0.912 213 2HB LYS 29 1HB LYS 29 -10.463 3.832 -2.473 214 1HG LYS 29 2HG LYS 29 -12.402 5.207 -0.725 215 2HG LYS 29 1HG LYS 29 -11.076 6.191 -1.342 216 1HD LYS 29 2HD LYS 29 -12.731 4.447 -3.143 217 2HD LYS 29 1HD LYS 29 -13.217 6.091 -2.734 218 1HE LYS 29 2HE LYS 29 -10.473 5.530 -3.794 219 2HE LYS 29 1HE LYS 29 -11.847 5.669 -4.892 220 1HZ LYS 29 1HZ LYS 29 -10.585 7.768 -4.502 221 2HZ LYS 29 2HZ LYS 29 -11.138 7.751 -2.904 222 3HZ LYS 29 3HZ LYS 29 -12.242 7.877 -4.179 223 H GLU 30 H GLU 30 -12.016 2.324 -3.146 224 HA GLU 30 HA GLU 30 -14.725 3.038 -3.051 225 1HB GLU 30 2HB GLU 30 -13.306 1.225 -5.003 226 2HB GLU 30 1HB GLU 30 -14.917 1.884 -5.241 227 1HG GLU 30 2HG GLU 30 -14.020 4.136 -5.254 228 2HG GLU 30 1HG GLU 30 -12.400 3.508 -4.951 229 H ARG 31 H ARG 31 -13.587 0.672 -1.260 230 HA ARG 31 HA ARG 31 -16.008 -0.950 -1.639 231 1HB ARG 31 2HB ARG 31 -13.181 -1.841 -1.310 232 2HB ARG 31 1HB ARG 31 -14.466 -2.836 -0.638 233 1HG ARG 31 2HG ARG 31 -14.130 -3.743 -2.736 234 2HG ARG 31 1HG ARG 31 -15.521 -2.688 -2.978 235 1HD ARG 31 2HD ARG 31 -14.126 -0.989 -3.953 236 2HD ARG 31 1HD ARG 31 -12.671 -1.905 -3.569 237 HE ARG 31 HE ARG 31 -14.388 -3.446 -5.196 238 1HH1 ARG 31 1HH1 ARG 31 -12.240 -0.707 -5.336 239 2HH1 ARG 31 2HH1 ARG 31 -11.847 -0.937 -7.006 240 1HH2 ARG 31 1HH2 ARG 31 -13.875 -3.755 -7.399 241 2HH2 ARG 31 2HH2 ARG 31 -12.775 -2.667 -8.177 242 H LEU 32 H LEU 32 -13.396 -0.423 0.751 243 HA LEU 32 HA LEU 32 -15.387 -0.740 2.874 244 1HB LEU 32 2HB LEU 32 -12.469 -0.643 3.445 245 2HB LEU 32 1HB LEU 32 -13.735 -1.527 4.269 246 HG LEU 32 HG LEU 32 -12.447 -3.186 3.284 247 1HD1 LEU 32 1HD1 LEU 32 -14.838 -3.429 2.774 248 2HD1 LEU 32 2HD1 LEU 32 -13.773 -4.217 1.606 249 3HD1 LEU 32 3HD1 LEU 32 -14.538 -2.676 1.208 250 1HD2 LEU 32 1HD2 LEU 32 -11.280 -3.089 1.348 251 2HD2 LEU 32 2HD2 LEU 32 -11.323 -1.373 1.763 252 3HD2 LEU 32 3HD2 LEU 32 -12.439 -2.022 0.563 253 H ASN 33 H ASN 33 -13.350 0.461 4.733 254 HA ASN 33 HA ASN 33 -14.124 3.243 4.279 255 1HB ASN 33 2HB ASN 33 -14.794 2.164 6.418 256 2HB ASN 33 1HB ASN 33 -13.091 1.950 6.811 257 1HD2 ASN 33 1HD2 ASN 33 -11.850 3.729 7.361 258 2HD2 ASN 33 2HD2 ASN 33 -12.553 5.249 7.787 259 H ILE 34 H ILE 34 -12.484 3.582 2.722 260 HA ILE 34 HA ILE 34 -9.918 4.244 3.994 261 HB ILE 34 HB ILE 34 -10.090 2.723 1.391 262 1HG1 ILE 34 2HG1 ILE 34 -8.447 1.248 2.790 263 2HG1 ILE 34 1HG1 ILE 34 -9.195 2.053 4.166 264 1HG2 ILE 34 1HG2 ILE 34 -7.627 2.852 1.391 265 2HG2 ILE 34 2HG2 ILE 34 -7.720 3.976 2.747 266 3HG2 ILE 34 3HG2 ILE 34 -8.406 4.419 1.185 267 1HD1 ILE 34 1HD1 ILE 34 -10.383 0.144 2.214 268 2HD1 ILE 34 2HD1 ILE 34 -11.416 1.307 3.040 269 3HD1 ILE 34 3HD1 ILE 34 -10.466 0.153 3.975 270 HA PRO 35 HA PRO 35 -11.612 7.780 1.602 271 1HB PRO 35 2HB PRO 35 -11.010 9.685 3.381 272 2HB PRO 35 1HB PRO 35 -12.393 8.608 3.622 273 1HG PRO 35 2HG PRO 35 -9.611 8.373 4.743 274 2HG PRO 35 1HG PRO 35 -11.162 8.311 5.616 275 1HD PRO 35 2HD PRO 35 -9.863 6.069 4.899 276 2HD PRO 35 1HD PRO 35 -11.636 6.163 4.860 277 H VAL 36 H VAL 36 -9.908 7.460 0.046 278 HA VAL 36 HA VAL 36 -7.871 9.514 0.227 279 HB VAL 36 HB VAL 36 -6.048 8.002 -0.479 280 1HG1 VAL 36 1HG1 VAL 36 -7.358 7.375 2.167 281 2HG1 VAL 36 2HG1 VAL 36 -6.121 8.589 1.840 282 3HG1 VAL 36 3HG1 VAL 36 -5.723 6.875 1.729 283 1HG2 VAL 36 1HG2 VAL 36 -8.052 5.840 0.122 284 2HG2 VAL 36 2HG2 VAL 36 -6.337 5.578 -0.192 285 3HG2 VAL 36 3HG2 VAL 36 -7.374 6.240 -1.456 286 H ILE 37 H ILE 37 -6.781 9.827 -1.919 287 HA ILE 37 HA ILE 37 -8.775 9.411 -4.010 288 HB ILE 37 HB ILE 37 -6.290 11.106 -4.177 289 1HG1 ILE 37 2HG1 ILE 37 -7.692 11.872 -2.314 290 2HG1 ILE 37 1HG1 ILE 37 -7.728 13.023 -3.646 291 1HG2 ILE 37 1HG2 ILE 37 -7.268 10.502 -6.322 292 2HG2 ILE 37 2HG2 ILE 37 -7.490 12.220 -5.993 293 3HG2 ILE 37 3HG2 ILE 37 -8.837 11.101 -5.786 294 1HD1 ILE 37 1HD1 ILE 37 -9.929 12.737 -2.679 295 2HD1 ILE 37 2HD1 ILE 37 -9.863 11.003 -2.995 296 3HD1 ILE 37 3HD1 ILE 37 -9.900 12.145 -4.340 297 H ALA 38 H ALA 38 -8.537 8.032 -5.607 298 HA ALA 38 HA ALA 38 -6.537 6.074 -5.621 299 1HB ALA 38 1HB ALA 38 -8.829 5.809 -6.533 300 2HB ALA 38 2HB ALA 38 -7.560 5.242 -7.619 301 3HB ALA 38 3HB ALA 38 -8.348 6.792 -7.917 302 H GLU 39 H GLU 39 -6.875 9.000 -7.618 303 HA GLU 39 HA GLU 39 -4.621 8.301 -9.247 304 1HB GLU 39 2HB GLU 39 -4.828 10.649 -10.093 305 2HB GLU 39 1HB GLU 39 -6.271 9.662 -10.264 306 1HG GLU 39 2HG GLU 39 -7.203 10.729 -8.249 307 2HG GLU 39 1HG GLU 39 -5.775 11.759 -8.163 308 H GLN 40 H GLN 40 -5.043 9.824 -6.208 309 HA GLN 40 HA GLN 40 -2.731 11.430 -6.117 310 1HB GLN 40 2HB GLN 40 -4.778 10.761 -4.356 311 2HB GLN 40 1HB GLN 40 -3.332 10.126 -3.591 312 1HG GLN 40 2HG GLN 40 -2.411 12.534 -4.218 313 2HG GLN 40 1HG GLN 40 -4.129 12.922 -4.126 314 1HE2 GLN 40 1HE2 GLN 40 -5.203 12.720 -2.148 315 2HE2 GLN 40 2HE2 GLN 40 -4.347 12.623 -0.650 316 H VAL 41 H VAL 41 -3.309 8.024 -5.517 317 HA VAL 41 HA VAL 41 -0.579 7.562 -4.672 318 HB VAL 41 HB VAL 41 -1.194 5.310 -4.250 319 1HG1 VAL 41 1HG1 VAL 41 -3.590 6.991 -3.530 320 2HG1 VAL 41 2HG1 VAL 41 -2.049 7.026 -2.671 321 3HG1 VAL 41 3HG1 VAL 41 -3.011 5.548 -2.698 322 1HG2 VAL 41 1HG2 VAL 41 -3.772 5.849 -5.711 323 2HG2 VAL 41 2HG2 VAL 41 -3.316 4.339 -4.925 324 3HG2 VAL 41 3HG2 VAL 41 -2.419 4.906 -6.332 325 H ALA 42 H ALA 42 -2.417 7.558 -7.537 326 HA ALA 42 HA ALA 42 -1.052 5.618 -9.044 327 1HB ALA 42 1HB ALA 42 -3.226 6.532 -9.685 328 2HB ALA 42 2HB ALA 42 -2.047 6.674 -10.990 329 3HB ALA 42 3HB ALA 42 -2.468 8.088 -10.023 330 H ARG 43 H ARG 43 -0.315 8.964 -8.326 331 HA ARG 43 HA ARG 43 1.820 9.044 -10.302 332 1HB ARG 43 2HB ARG 43 2.113 11.389 -9.510 333 2HB ARG 43 1HB ARG 43 0.500 11.033 -10.114 334 1HG ARG 43 2HG ARG 43 -0.052 12.178 -8.236 335 2HG ARG 43 1HG ARG 43 0.035 10.551 -7.558 336 1HD ARG 43 2HD ARG 43 1.208 12.070 -6.106 337 2HD ARG 43 1HD ARG 43 2.377 11.007 -6.888 338 HE ARG 43 HE ARG 43 2.139 13.328 -8.427 339 1HH1 ARG 43 1HH1 ARG 43 3.289 12.349 -5.286 340 2HH1 ARG 43 2HH1 ARG 43 4.485 13.599 -5.194 341 1HH2 ARG 43 1HH2 ARG 43 3.708 14.976 -8.312 342 2HH2 ARG 43 2HH2 ARG 43 4.724 15.092 -6.913 343 H GLU 44 H GLU 44 1.504 8.096 -7.076 344 HA GLU 44 HA GLU 44 4.376 8.537 -6.603 345 1HB GLU 44 2HB GLU 44 3.775 8.252 -4.202 346 2HB GLU 44 1HB GLU 44 3.245 9.754 -4.941 347 1HG GLU 44 2HG GLU 44 1.014 8.786 -5.210 348 2HG GLU 44 1HG GLU 44 1.575 7.307 -4.439 349 H GLN 45 H GLN 45 2.932 6.260 -7.881 350 HA GLN 45 HA GLN 45 3.457 4.080 -6.025 351 1HB GLN 45 2HB GLN 45 1.269 4.043 -7.092 352 2HB GLN 45 1HB GLN 45 2.011 4.160 -8.682 353 1HG GLN 45 2HG GLN 45 3.200 1.943 -7.935 354 2HG GLN 45 1HG GLN 45 1.824 1.837 -6.836 355 1HE2 GLN 45 1HE2 GLN 45 2.885 1.730 -10.125 356 2HE2 GLN 45 2HE2 GLN 45 1.401 1.165 -10.806 357 HA PRO 46 HA PRO 46 7.512 4.170 -8.240 358 1HB PRO 46 2HB PRO 46 8.267 1.948 -6.663 359 2HB PRO 46 1HB PRO 46 8.698 3.639 -6.389 360 1HG PRO 46 2HG PRO 46 6.483 2.029 -5.199 361 2HG PRO 46 1HG PRO 46 7.489 3.283 -4.446 362 1HD PRO 46 2HD PRO 46 5.000 3.814 -5.148 363 2HD PRO 46 1HD PRO 46 6.279 5.005 -5.477 364 H GLU 47 H GLU 47 7.407 3.323 -10.219 365 HA GLU 47 HA GLU 47 6.025 1.024 -10.992 366 1HB GLU 47 2HB GLU 47 6.521 2.453 -12.751 367 2HB GLU 47 1HB GLU 47 8.185 2.685 -12.229 368 1HG GLU 47 2HG GLU 47 8.689 0.374 -12.927 369 2HG GLU 47 1HG GLU 47 7.039 0.229 -13.540 370 H ASN 48 H ASN 48 9.260 1.440 -9.767 371 HA ASN 48 HA ASN 48 10.410 -0.988 -10.539 372 1HB ASN 48 2HB ASN 48 11.681 0.895 -9.569 373 2HB ASN 48 1HB ASN 48 10.919 0.594 -8.010 374 1HD2 ASN 48 1HD2 ASN 48 12.872 0.206 -6.999 375 2HD2 ASN 48 2HD2 ASN 48 13.784 -1.236 -7.270 376 H LEU 49 H LEU 49 8.013 -0.273 -8.185 377 HA LEU 49 HA LEU 49 8.160 -3.036 -7.164 378 1HB LEU 49 2HB LEU 49 7.435 -0.473 -5.784 379 2HB LEU 49 1HB LEU 49 6.823 -2.002 -5.193 380 HG LEU 49 HG LEU 49 8.774 -1.364 -3.923 381 1HD1 LEU 49 1HD1 LEU 49 10.122 -3.351 -4.178 382 2HD1 LEU 49 2HD1 LEU 49 9.476 -3.615 -5.800 383 3HD1 LEU 49 3HD1 LEU 49 8.417 -3.753 -4.396 384 1HD2 LEU 49 1HD2 LEU 49 9.784 0.046 -5.724 385 2HD2 LEU 49 2HD2 LEU 49 10.358 -1.440 -6.482 386 3HD2 LEU 49 3HD2 LEU 49 10.928 -0.993 -4.875 387 H ARG 50 H ARG 50 6.688 -1.597 -9.436 388 HA ARG 50 HA ARG 50 3.961 -1.465 -8.927 389 1HB ARG 50 2HB ARG 50 5.165 -0.762 -11.041 390 2HB ARG 50 1HB ARG 50 5.174 -2.454 -11.511 391 1HG ARG 50 2HG ARG 50 2.744 -2.494 -11.499 392 2HG ARG 50 1HG ARG 50 2.709 -0.811 -10.972 393 1HD ARG 50 2HD ARG 50 2.333 -0.800 -13.313 394 2HD ARG 50 1HD ARG 50 3.987 -0.242 -13.062 395 HE ARG 50 HE ARG 50 4.232 -2.929 -13.460 396 1HH1 ARG 50 1HH1 ARG 50 2.804 -0.303 -15.252 397 2HH1 ARG 50 2HH1 ARG 50 3.087 -1.033 -16.797 398 1HH2 ARG 50 1HH2 ARG 50 4.606 -3.898 -15.491 399 2HH2 ARG 50 2HH2 ARG 50 4.109 -3.075 -16.932 400 H THR 51 H THR 51 6.061 -4.152 -9.125 401 HA THR 51 HA THR 51 4.154 -6.161 -9.766 402 HB THR 51 HB THR 51 6.694 -6.565 -8.182 403 HG1 THR 51 1HG THR 51 7.574 -5.702 -9.934 404 1HG2 THR 51 1HG2 THR 51 5.191 -8.347 -10.098 405 2HG2 THR 51 2HG2 THR 51 5.191 -8.492 -8.340 406 3HG2 THR 51 3HG2 THR 51 6.679 -8.763 -9.247 407 H TYR 52 H TYR 52 5.525 -4.949 -6.723 408 HA TYR 52 HA TYR 52 4.143 -6.671 -4.988 409 1HB TYR 52 2HB TYR 52 6.136 -5.264 -4.412 410 2HB TYR 52 1HB TYR 52 5.094 -3.848 -4.446 411 HD1 TYR 52 1HD TYR 52 5.239 -3.133 -2.209 412 HD2 TYR 52 2HD TYR 52 4.250 -7.187 -3.053 413 HE1 TYR 52 1HE TYR 52 4.664 -3.480 0.146 414 HE2 TYR 52 2HE TYR 52 3.670 -7.540 -0.703 415 HH TYR 52 HH TYR 52 3.265 -5.000 1.502 416 H PHE 53 H PHE 53 3.480 -3.338 -5.994 417 HA PHE 53 HA PHE 53 1.168 -2.801 -4.693 418 1HB PHE 53 2HB PHE 53 1.688 -0.996 -5.933 419 2HB PHE 53 1HB PHE 53 2.327 -1.956 -7.262 420 HD1 PHE 53 1HD PHE 53 -0.650 -0.366 -5.845 421 HD2 PHE 53 2HD PHE 53 0.914 -2.617 -9.099 422 HE1 PHE 53 1HE PHE 53 -2.666 0.139 -7.156 423 HE2 PHE 53 2HE PHE 53 -1.098 -2.115 -10.420 424 HZ PHE 53 HZ PHE 53 -2.885 -0.705 -9.450 425 H MET 54 H MET 54 1.431 -4.766 -7.665 426 HA MET 54 HA MET 54 -1.357 -5.178 -7.922 427 1HB MET 54 2HB MET 54 0.934 -6.874 -8.928 428 2HB MET 54 1HB MET 54 -0.737 -6.982 -9.470 429 1HG MET 54 2HG MET 54 -0.647 -4.823 -10.444 430 2HG MET 54 1HG MET 54 0.912 -4.489 -9.696 431 1HE MET 54 1HE MET 54 0.261 -7.528 -13.107 432 2HE MET 54 2HE MET 54 -1.023 -6.580 -12.358 433 3HE MET 54 3HE MET 54 -0.224 -7.858 -11.446 434 H GLU 55 H GLU 55 1.218 -6.992 -6.298 435 HA GLU 55 HA GLU 55 -0.202 -9.286 -5.633 436 1HB GLU 55 2HB GLU 55 1.905 -7.833 -4.016 437 2HB GLU 55 1HB GLU 55 1.376 -9.485 -3.726 438 1HG GLU 55 2HG GLU 55 2.162 -10.107 -5.970 439 2HG GLU 55 1HG GLU 55 2.743 -8.460 -6.200 440 H ARG 56 H ARG 56 0.180 -6.290 -3.752 441 HA ARG 56 HA ARG 56 -1.711 -7.040 -1.774 442 1HB ARG 56 2HB ARG 56 0.054 -4.850 -2.250 443 2HB ARG 56 1HB ARG 56 -1.553 -4.195 -1.968 444 1HG ARG 56 2HG ARG 56 -0.354 -4.315 0.112 445 2HG ARG 56 1HG ARG 56 -1.680 -5.479 0.132 446 1HD ARG 56 2HD ARG 56 -0.122 -7.276 -0.411 447 2HD ARG 56 1HD ARG 56 1.207 -6.119 -0.473 448 HE ARG 56 HE ARG 56 0.146 -5.810 2.022 449 1HH1 ARG 56 1HH1 ARG 56 1.419 -8.497 0.204 450 2HH1 ARG 56 2HH1 ARG 56 1.989 -9.339 1.606 451 1HH2 ARG 56 1HH2 ARG 56 0.893 -6.913 3.871 452 2HH2 ARG 56 2HH2 ARG 56 1.688 -8.442 3.689 453 H LEU 57 H LEU 57 -1.883 -5.350 -4.832 454 HA LEU 57 HA LEU 57 -4.432 -4.258 -4.666 455 1HB LEU 57 2HB LEU 57 -2.946 -3.749 -6.503 456 2HB LEU 57 1HB LEU 57 -2.990 -5.412 -7.050 457 HG LEU 57 HG LEU 57 -5.382 -5.157 -7.596 458 1HD1 LEU 57 1HD1 LEU 57 -5.993 -3.433 -6.013 459 2HD1 LEU 57 2HD1 LEU 57 -6.351 -2.893 -7.652 460 3HD1 LEU 57 3HD1 LEU 57 -4.925 -2.282 -6.813 461 1HD2 LEU 57 1HD2 LEU 57 -3.557 -3.120 -8.860 462 2HD2 LEU 57 2HD2 LEU 57 -5.068 -3.710 -9.551 463 3HD2 LEU 57 3HD2 LEU 57 -3.712 -4.814 -9.322 464 H ARG 58 H ARG 58 -3.593 -7.357 -6.213 465 HA ARG 58 HA ARG 58 -6.181 -8.266 -6.629 466 1HB ARG 58 2HB ARG 58 -5.169 -10.518 -6.784 467 2HB ARG 58 1HB ARG 58 -4.278 -9.309 -7.691 468 1HG ARG 58 2HG ARG 58 -2.622 -9.170 -5.914 469 2HG ARG 58 1HG ARG 58 -3.514 -10.372 -4.984 470 1HD ARG 58 2HD ARG 58 -1.701 -11.471 -6.099 471 2HD ARG 58 1HD ARG 58 -3.210 -11.965 -6.865 472 HE ARG 58 HE ARG 58 -2.238 -9.790 -8.291 473 1HH1 ARG 58 1HH1 ARG 58 -1.283 -13.062 -7.566 474 2HH1 ARG 58 2HH1 ARG 58 -0.395 -13.265 -9.040 475 1HH2 ARG 58 1HH2 ARG 58 -1.072 -10.049 -10.233 476 2HH2 ARG 58 2HH2 ARG 58 -0.275 -11.553 -10.556 477 H HIS 59 H HIS 59 -4.048 -8.703 -3.848 478 HA HIS 59 HA HIS 59 -5.736 -10.446 -2.405 479 1HB HIS 59 2HB HIS 59 -3.297 -10.032 -1.947 480 2HB HIS 59 1HB HIS 59 -3.753 -8.487 -1.237 481 HD1 HIS 59 1HD HIS 59 -3.709 -12.140 -0.569 482 HD2 HIS 59 2HD HIS 59 -5.089 -8.671 1.254 483 HE1 HIS 59 1HE HIS 59 -4.272 -12.799 1.790 484 HE2 HIS 59 2HE HIS 59 -5.079 -10.678 2.884 485 H TYR 60 H TYR 60 -5.266 -6.933 -2.149 486 HA TYR 60 HA TYR 60 -7.068 -6.348 -0.155 487 1HB TYR 60 2HB TYR 60 -6.067 -4.822 -2.525 488 2HB TYR 60 1HB TYR 60 -7.395 -4.148 -1.590 489 HD1 TYR 60 1HD TYR 60 -4.251 -3.447 -2.062 490 HD2 TYR 60 2HD TYR 60 -6.615 -4.899 1.163 491 HE1 TYR 60 1HE TYR 60 -2.648 -2.492 -0.462 492 HE2 TYR 60 2HE TYR 60 -5.018 -3.945 2.771 493 HH TYR 60 HH TYR 60 -2.658 -3.268 2.841 494 H ARG 61 H ARG 61 -7.664 -6.989 -3.547 495 HA ARG 61 HA ARG 61 -10.359 -6.172 -3.635 496 1HB ARG 61 2HB ARG 61 -8.873 -8.227 -5.274 497 2HB ARG 61 1HB ARG 61 -10.511 -7.693 -5.628 498 1HG ARG 61 2HG ARG 61 -9.699 -5.406 -5.923 499 2HG ARG 61 1HG ARG 61 -8.058 -5.950 -5.578 500 1HD ARG 61 2HD ARG 61 -8.229 -7.493 -7.522 501 2HD ARG 61 1HD ARG 61 -9.797 -6.777 -7.897 502 HE ARG 61 HE ARG 61 -7.491 -4.996 -7.721 503 1HH1 ARG 61 1HH1 ARG 61 -9.812 -6.683 -9.701 504 2HH1 ARG 61 2HH1 ARG 61 -9.497 -5.724 -11.107 505 1HH2 ARG 61 1HH2 ARG 61 -7.074 -3.732 -9.564 506 2HH2 ARG 61 2HH2 ARG 61 -7.940 -4.046 -11.030 507 H GLN 62 H GLN 62 -8.876 -9.306 -2.923 508 HA GLN 62 HA GLN 62 -11.257 -10.775 -2.661 509 1HB GLN 62 2HB GLN 62 -8.590 -11.180 -1.292 510 2HB GLN 62 1HB GLN 62 -9.880 -12.373 -1.367 511 1HG GLN 62 2HG GLN 62 -9.681 -12.473 -3.782 512 2HG GLN 62 1HG GLN 62 -8.436 -11.224 -3.744 513 1HE2 GLN 62 1HE2 GLN 62 -6.920 -12.556 -4.716 514 2HE2 GLN 62 2HE2 GLN 62 -6.171 -13.869 -3.879 515 H LEU 63 H LEU 63 -9.437 -8.788 -0.401 516 HA LEU 63 HA LEU 63 -11.176 -9.463 1.809 517 1HB LEU 63 2HB LEU 63 -8.990 -7.391 1.603 518 2HB LEU 63 1HB LEU 63 -9.843 -7.838 3.067 519 HG LEU 63 HG LEU 63 -8.041 -9.660 1.470 520 1HD1 LEU 63 1HD1 LEU 63 -7.618 -8.355 4.155 521 2HD1 LEU 63 2HD1 LEU 63 -6.843 -7.869 2.647 522 3HD1 LEU 63 3HD1 LEU 63 -6.509 -9.458 3.338 523 1HD2 LEU 63 1HD2 LEU 63 -9.819 -10.904 2.559 524 2HD2 LEU 63 2HD2 LEU 63 -9.475 -10.094 4.088 525 3HD2 LEU 63 3HD2 LEU 63 -8.285 -11.186 3.382 526 H SER 64 H SER 64 -11.023 -7.206 -0.741 527 HA SER 64 HA SER 64 -12.368 -5.028 0.418 528 1HB SER 64 2HB SER 64 -12.571 -4.177 -1.731 529 2HB SER 64 1HB SER 64 -11.230 -5.301 -1.950 530 HG SER 64 HG SER 64 -13.454 -5.276 -3.286 531 H LEU 65 H LEU 65 -13.409 -8.086 -0.885 532 HA LEU 65 HA LEU 65 -16.210 -7.447 -0.798 533 1HB LEU 65 2HB LEU 65 -14.954 -10.182 -0.986 534 2HB LEU 65 1HB LEU 65 -16.568 -9.712 -1.484 535 HG LEU 65 HG LEU 65 -14.033 -8.724 -2.794 536 1HD1 LEU 65 1HD1 LEU 65 -14.596 -10.252 -4.616 537 2HD1 LEU 65 2HD1 LEU 65 -15.946 -10.884 -3.672 538 3HD1 LEU 65 3HD1 LEU 65 -14.290 -11.125 -3.115 539 1HD2 LEU 65 1HD2 LEU 65 -16.898 -8.570 -3.713 540 2HD2 LEU 65 2HD2 LEU 65 -15.485 -7.890 -4.520 541 3HD2 LEU 65 3HD2 LEU 65 -16.011 -7.241 -2.968 542 H GLN 66 H GLN 66 -13.985 -9.464 1.137 543 HA GLN 66 HA GLN 66 -15.981 -10.297 2.971 544 1HB GLN 66 2HB GLN 66 -14.356 -11.536 3.951 545 2HB GLN 66 1HB GLN 66 -13.495 -11.165 2.468 546 1HG GLN 66 2HG GLN 66 -11.965 -10.814 4.210 547 2HG GLN 66 1HG GLN 66 -12.476 -9.207 3.697 548 1HE2 GLN 66 1HE2 GLN 66 -12.223 -8.075 5.518 549 2HE2 GLN 66 2HE2 GLN 66 -13.057 -8.384 6.996 550 H LEU 67 H LEU 67 -13.514 -7.727 3.205 551 HA LEU 67 HA LEU 67 -13.920 -6.851 5.757 552 1HB LEU 67 2HB LEU 67 -12.871 -5.693 3.314 553 2HB LEU 67 1HB LEU 67 -13.630 -4.483 4.327 554 HG LEU 67 HG LEU 67 -12.178 -5.612 6.221 555 1HD1 LEU 67 1HD1 LEU 67 -11.398 -7.355 4.544 556 2HD1 LEU 67 2HD1 LEU 67 -10.172 -6.579 5.542 557 3HD1 LEU 67 3HD1 LEU 67 -10.389 -6.079 3.865 558 1HD2 LEU 67 1HD2 LEU 67 -10.987 -3.767 4.157 559 2HD2 LEU 67 2HD2 LEU 67 -10.442 -3.966 5.822 560 3HD2 LEU 67 3HD2 LEU 67 -12.031 -3.277 5.490 561 HA PRO 68 HA PRO 68 -17.819 -4.948 6.372 562 1HB PRO 68 2HB PRO 68 -17.357 -2.419 7.198 563 2HB PRO 68 1HB PRO 68 -16.970 -3.835 8.193 564 1HG PRO 68 2HG PRO 68 -15.160 -2.331 6.318 565 2HG PRO 68 1HG PRO 68 -14.904 -2.678 8.050 566 1HD PRO 68 2HD PRO 68 -13.794 -4.244 6.263 567 2HD PRO 68 1HD PRO 68 -14.630 -4.992 7.640 568 H LYS 69 H LYS 69 -18.836 -2.456 6.057 569 HA LYS 69 HA LYS 69 -19.828 -1.090 4.543 570 1HB LYS 69 2HB LYS 69 -17.256 -1.470 3.015 571 2HB LYS 69 1HB LYS 69 -18.470 -0.248 2.664 572 1HG LYS 69 2HG LYS 69 -16.964 -0.456 5.264 573 2HG LYS 69 1HG LYS 69 -16.524 0.610 3.930 574 1HD LYS 69 2HD LYS 69 -18.601 1.810 4.134 575 2HD LYS 69 1HD LYS 69 -19.186 0.668 5.345 576 1HE LYS 69 2HE LYS 69 -16.753 2.417 5.684 577 2HE LYS 69 1HE LYS 69 -18.358 2.817 6.294 578 1HZ LYS 69 1HZ LYS 69 -16.806 0.400 7.054 579 2HZ LYS 69 2HZ LYS 69 -18.308 0.863 7.680 580 3HZ LYS 69 3HZ LYS 69 -16.937 1.804 7.989 581 H GLY 70 H GLY 70 -18.037 -2.878 2.135 582 1HA GLY 70 2HA GLY 70 -18.853 -4.764 0.906 583 2HA GLY 70 1HA GLY 70 -20.484 -4.310 1.373 584 H SER 71 H SER 71 -19.488 -1.436 0.661 585 HA SER 71 HA SER 71 -19.772 -0.016 -1.094 586 1HB SER 71 2HB SER 71 -17.693 -1.259 -1.817 587 2HB SER 71 1HB SER 71 -18.733 -2.288 -2.800 588 HG SER 71 HG SER 71 -17.985 -0.627 -4.084 589 H ASP 72 H ASP 72 -20.579 -0.262 -3.683 590 HA ASP 72 HA ASP 72 -23.338 -0.625 -3.470 591 1HB ASP 72 2HB ASP 72 -21.617 -0.648 -5.958 592 2HB ASP 72 1HB ASP 72 -23.368 -0.460 -5.939 593 HA PRO 73 HA PRO 73 -24.354 -4.900 -3.727 594 1HB PRO 73 2HB PRO 73 -25.883 -4.233 -6.195 595 2HB PRO 73 1HB PRO 73 -26.393 -5.105 -4.750 596 1HG PRO 73 2HG PRO 73 -27.103 -2.551 -5.224 597 2HG PRO 73 1HG PRO 73 -26.879 -3.204 -3.594 598 1HD PRO 73 2HD PRO 73 -25.213 -1.301 -5.091 599 2HD PRO 73 1HD PRO 73 -25.302 -1.609 -3.350 600 H ALA 74 H ALA 74 -24.241 -3.762 -7.110 601 HA ALA 74 HA ALA 74 -22.779 -6.141 -7.881 602 1HB ALA 74 1HB ALA 74 -23.055 -5.313 -10.166 603 2HB ALA 74 2HB ALA 74 -23.737 -3.812 -9.539 604 3HB ALA 74 3HB ALA 74 -24.590 -5.338 -9.299 605 H TYR 75 H TYR 75 -21.656 -3.749 -6.275 606 HA TYR 75 HA TYR 75 -19.756 -2.552 -6.093 607 1HB TYR 75 2HB TYR 75 -18.984 -5.039 -7.496 608 2HB TYR 75 1HB TYR 75 -17.769 -3.819 -7.167 609 HD1 TYR 75 1HD TYR 75 -20.271 -6.036 -5.576 610 HD2 TYR 75 2HD TYR 75 -16.817 -3.622 -5.008 611 HE1 TYR 75 1HE TYR 75 -20.031 -6.928 -3.297 612 HE2 TYR 75 2HE TYR 75 -16.564 -4.510 -2.723 613 HH TYR 75 HH TYR 75 -17.993 -5.545 -0.989 614 H GLN 76 H GLN 76 -17.647 -1.909 -7.581 615 HA GLN 76 HA GLN 76 -18.843 -0.442 -9.806 616 1HB GLN 76 2HB GLN 76 -16.200 -0.098 -8.385 617 2HB GLN 76 1HB GLN 76 -16.749 0.903 -9.722 618 1HG GLN 76 2HG GLN 76 -17.198 2.124 -7.770 619 2HG GLN 76 1HG GLN 76 -18.749 1.483 -8.309 620 1HE2 GLN 76 1HE2 GLN 76 -19.793 -0.051 -7.088 621 2HE2 GLN 76 2HE2 GLN 76 -19.312 -0.457 -5.480 622 H LYS 77 H LYS 77 -18.650 -1.232 -11.784 623 HA LYS 77 HA LYS 77 -16.567 -3.156 -12.415 624 1HB LYS 77 2HB LYS 77 -18.991 -2.151 -13.901 625 2HB LYS 77 1HB LYS 77 -17.809 -3.223 -14.640 626 1HG LYS 77 2HG LYS 77 -18.510 -5.019 -13.481 627 2HG LYS 77 1HG LYS 77 -18.868 -4.085 -12.031 628 1HD LYS 77 2HD LYS 77 -20.903 -5.012 -13.018 629 2HD LYS 77 1HD LYS 77 -20.915 -3.250 -13.060 630 1HE LYS 77 2HE LYS 77 -20.190 -3.327 -15.414 631 2HE LYS 77 1HE LYS 77 -20.249 -5.088 -15.357 632 1HZ LYS 77 1HZ LYS 77 -22.565 -3.285 -14.904 633 2HZ LYS 77 2HZ LYS 77 -22.609 -4.976 -14.916 634 3HZ LYS 77 3HZ LYS 77 -22.254 -4.131 -16.337 635 H ASP 78 H ASP 78 -14.655 -2.069 -12.627 636 HA ASP 78 HA ASP 78 -14.533 0.286 -14.344 637 1HB ASP 78 2HB ASP 78 -13.345 0.373 -12.203 638 2HB ASP 78 1HB ASP 78 -12.395 -1.037 -12.662 639 H ASP 79 H ASP 79 -13.688 -3.084 -14.330 640 HA ASP 79 HA ASP 79 -12.058 -2.813 -16.731 641 1HB ASP 79 2HB ASP 79 -12.756 -5.246 -15.076 642 2HB ASP 79 1HB ASP 79 -11.661 -5.243 -16.456 643 H ALA 80 H ALA 80 -15.166 -2.607 -16.354 644 HA ALA 80 HA ALA 80 -17.019 -3.027 -17.610 645 1HB ALA 80 1HB ALA 80 -15.567 -2.161 -19.404 646 2HB ALA 80 2HB ALA 80 -16.713 -3.365 -19.990 647 3HB ALA 80 3HB ALA 80 -15.024 -3.806 -19.737 648 H VAL 81 H VAL 81 -15.872 -5.163 -15.962 649 HA VAL 81 HA VAL 81 -16.702 -7.551 -17.465 650 HB VAL 81 HB VAL 81 -15.191 -7.416 -14.851 651 1HG1 VAL 81 1HG1 VAL 81 -16.437 -9.469 -15.054 652 2HG1 VAL 81 2HG1 VAL 81 -14.724 -9.803 -15.311 653 3HG1 VAL 81 3HG1 VAL 81 -15.825 -9.723 -16.688 654 1HG2 VAL 81 1HG2 VAL 81 -13.232 -8.092 -16.172 655 2HG2 VAL 81 2HG2 VAL 81 -13.845 -6.511 -16.656 656 3HG2 VAL 81 3HG2 VAL 81 -14.184 -7.929 -17.648 657 H LYS 82 H LYS 82 -18.728 -8.148 -17.160 658 HA LYS 82 HA LYS 82 -20.400 -7.188 -15.123 659 1HB LYS 82 2HB LYS 82 -21.920 -9.088 -15.869 660 2HB LYS 82 1HB LYS 82 -21.445 -7.931 -17.104 661 1HG LYS 82 2HG LYS 82 -19.560 -9.628 -17.621 662 2HG LYS 82 1HG LYS 82 -20.583 -10.767 -16.740 663 1HD LYS 82 2HD LYS 82 -22.452 -10.213 -18.251 664 2HD LYS 82 1HD LYS 82 -21.382 -9.136 -19.149 665 1HE LYS 82 2HE LYS 82 -19.944 -11.027 -19.715 666 2HE LYS 82 1HE LYS 82 -20.997 -12.107 -18.800 667 1HZ LYS 82 1HZ LYS 82 -21.478 -12.216 -21.158 668 2HZ LYS 82 2HZ LYS 82 -21.777 -10.552 -21.208 669 3HZ LYS 82 3HZ LYS 82 -22.801 -11.568 -20.325 670 H LYS 83 H LYS 83 -21.087 -8.025 -13.200 671 HA LYS 83 HA LYS 83 -21.008 -9.194 -11.253 672 1HB LYS 83 2HB LYS 83 -21.759 -11.071 -12.678 673 2HB LYS 83 1HB LYS 83 -20.080 -11.483 -13.001 674 1HG LYS 83 2HG LYS 83 -19.797 -11.784 -10.513 675 2HG LYS 83 1HG LYS 83 -21.553 -11.656 -10.388 676 1HD LYS 83 2HD LYS 83 -21.819 -13.576 -11.853 677 2HD LYS 83 1HD LYS 83 -20.070 -13.681 -12.065 678 1HE LYS 83 2HE LYS 83 -19.850 -14.049 -9.621 679 2HE LYS 83 1HE LYS 83 -21.609 -14.072 -9.500 680 1HZ LYS 83 1HZ LYS 83 -21.662 -15.990 -10.951 681 2HZ LYS 83 2HZ LYS 83 -20.669 -16.305 -9.617 682 3HZ LYS 83 3HZ LYS 83 -19.979 -15.953 -11.121
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