NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5454 | 1hfn | 4914 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H1 LEU 1 12.379 -24.273 -16.301 2 H2 LEU 1 H2 LEU 1 13.667 -24.102 -17.390 3 H3 LEU 1 H3 LEU 1 13.978 -24.449 -15.757 4 HA LEU 1 HA LEU 1 14.437 -22.190 -15.919 5 1HB LEU 1 1HB LEU 1 13.160 -22.191 -18.226 6 2HB LEU 1 2HB LEU 1 11.807 -21.619 -17.250 7 HG LEU 1 HG LEU 1 14.441 -20.300 -16.808 8 1HD1 LEU 1 1HD1 LEU 1 12.923 -20.261 -19.375 9 2HD1 LEU 1 2HD1 LEU 1 13.534 -18.720 -18.775 10 3HD1 LEU 1 3HD1 LEU 1 14.650 -20.050 -19.088 11 1HD2 LEU 1 1HD2 LEU 1 11.519 -19.661 -16.687 12 2HD2 LEU 1 2HD2 LEU 1 12.786 -19.331 -15.506 13 3HD2 LEU 1 3HD2 LEU 1 12.648 -18.332 -16.952 14 H GLY 2 H GLY 2 14.208 -21.844 -13.794 15 1HA GLY 2 1HA GLY 2 12.934 -22.151 -11.737 16 2HA GLY 2 2HA GLY 2 11.475 -21.791 -12.656 17 H ALA 3 H ALA 3 11.160 -19.612 -13.413 18 HA ALA 3 HA ALA 3 12.849 -17.549 -12.174 19 1HB ALA 3 1HB ALA 3 10.642 -17.363 -14.237 20 2HB ALA 3 2HB ALA 3 11.521 -15.978 -13.591 21 3HB ALA 3 3HB ALA 3 12.373 -17.206 -14.528 22 H SER 4 H SER 4 9.345 -17.798 -12.768 23 HA SER 4 HA SER 4 8.563 -17.780 -10.053 24 1HB SER 4 1HB SER 4 8.978 -15.119 -11.342 25 2HB SER 4 2HB SER 4 7.575 -15.328 -10.299 26 HG SER 4 HG SER 4 9.843 -14.717 -9.436 27 H TRP 5 H TRP 5 7.073 -19.269 -10.815 28 HA TRP 5 HA TRP 5 5.121 -18.385 -12.820 29 1HB TRP 5 1HB TRP 5 6.296 -20.791 -12.539 30 2HB TRP 5 2HB TRP 5 4.874 -21.052 -11.530 31 HD1 TRP 5 HD1 TRP 5 5.727 -19.774 -15.079 32 HE1 TRP 5 HE1 TRP 5 3.793 -20.429 -16.653 33 HE3 TRP 5 HE3 TRP 5 2.530 -21.899 -11.711 34 HZ2 TRP 5 HZ2 TRP 5 1.228 -21.688 -16.503 35 HZ3 TRP 5 HZ3 TRP 5 0.351 -22.817 -12.452 36 HH2 TRP 5 HH2 TRP 5 -0.303 -22.714 -14.842 37 H HIS 6 H HIS 6 2.801 -19.207 -12.305 38 HA HIS 6 HA HIS 6 0.885 -18.928 -11.064 39 1HB HIS 6 1HB HIS 6 2.883 -19.813 -9.032 40 2HB HIS 6 2HB HIS 6 1.351 -19.159 -8.455 41 HD1 HIS 6 HD1 HIS 6 2.748 -22.289 -9.194 42 HD2 HIS 6 HD2 HIS 6 -0.869 -20.500 -10.238 43 HE1 HIS 6 HE1 HIS 6 1.180 -24.169 -9.843 44 H ARG 7 H ARG 7 0.115 -16.923 -11.169 45 HA ARG 7 HA ARG 7 0.525 -15.051 -9.083 46 1HB ARG 7 1HB ARG 7 1.581 -13.241 -10.496 47 2HB ARG 7 2HB ARG 7 2.663 -14.562 -10.055 48 1HG ARG 7 1HG ARG 7 2.854 -15.300 -12.206 49 2HG ARG 7 2HG ARG 7 1.166 -14.955 -12.580 50 1HD ARG 7 1HD ARG 7 3.042 -12.665 -12.126 51 2HD ARG 7 2HD ARG 7 3.102 -13.516 -13.665 52 HE ARG 7 HE ARG 7 0.422 -12.775 -12.916 53 1HH1 ARG 7 1HH1 ARG 7 3.388 -11.630 -14.381 54 2HH1 ARG 7 2HH1 ARG 7 2.591 -10.406 -15.307 55 1HH2 ARG 7 1HH2 ARG 7 -0.577 -11.166 -14.141 56 2HH2 ARG 7 2HH2 ARG 7 0.366 -10.144 -15.174 57 HA PRO 8 HA PRO 8 -3.200 -14.368 -11.701 58 1HB PRO 8 1HB PRO 8 -5.028 -14.568 -9.680 59 2HB PRO 8 2HB PRO 8 -4.417 -15.955 -10.594 60 1HG PRO 8 1HG PRO 8 -3.812 -15.119 -7.822 61 2HG PRO 8 2HG PRO 8 -3.723 -16.725 -8.560 62 1HD PRO 8 1HD PRO 8 -1.542 -14.971 -8.035 63 2HD PRO 8 2HD PRO 8 -1.491 -16.486 -8.967 64 H ASP 9 H ASP 9 -2.738 -12.190 -12.070 65 HA ASP 9 HA ASP 9 -3.096 -9.925 -11.918 66 1HB ASP 9 1HB ASP 9 -5.341 -10.889 -10.795 67 2HB ASP 9 2HB ASP 9 -4.648 -10.083 -9.389 68 H LYS 10 H LYS 10 -3.098 -10.968 -8.517 69 HA LYS 10 HA LYS 10 -0.445 -10.244 -7.941 70 1HB LYS 10 1HB LYS 10 -2.349 -8.017 -7.997 71 2HB LYS 10 2HB LYS 10 -1.518 -8.165 -6.450 72 1HG LYS 10 1HG LYS 10 0.507 -7.601 -7.334 73 2HG LYS 10 2HG LYS 10 0.209 -8.476 -8.836 74 1HD LYS 10 1HD LYS 10 -1.508 -6.597 -9.343 75 2HD LYS 10 2HD LYS 10 -0.674 -5.696 -8.076 76 1HE LYS 10 1HE LYS 10 1.478 -6.059 -9.283 77 2HE LYS 10 2HE LYS 10 0.587 -6.855 -10.580 78 1HZ LYS 10 1HZ LYS 10 0.117 -4.072 -9.656 79 2HZ LYS 10 2HZ LYS 10 1.013 -4.499 -11.035 80 3HZ LYS 10 3HZ LYS 10 -0.650 -4.842 -10.958 81 H CYS 11 H CYS 11 -3.367 -9.366 -6.137 82 HA CYS 11 HA CYS 11 -4.214 -10.096 -4.131 83 1HB CYS 11 1HB CYS 11 -2.913 -12.697 -4.967 84 2HB CYS 11 2HB CYS 11 -4.127 -12.517 -3.701 85 H CYS 12 H CYS 12 -3.242 -9.108 -2.466 86 HA CYS 12 HA CYS 12 -0.609 -10.136 -1.586 87 1HB CYS 12 1HB CYS 12 -1.034 -7.606 -2.273 88 2HB CYS 12 2HB CYS 12 -1.657 -7.509 -0.627 89 H LEU 13 H LEU 13 -1.553 -11.830 -0.375 90 HA LEU 13 HA LEU 13 -3.572 -11.499 1.567 91 1HB LEU 13 1HB LEU 13 -2.669 -13.594 2.549 92 2HB LEU 13 2HB LEU 13 -3.012 -13.699 0.836 93 HG LEU 13 HG LEU 13 -0.405 -13.070 0.692 94 1HD1 LEU 13 1HD1 LEU 13 -0.626 -13.204 3.378 95 2HD1 LEU 13 2HD1 LEU 13 -0.286 -14.901 3.035 96 3HD1 LEU 13 3HD1 LEU 13 0.849 -13.652 2.523 97 1HD2 LEU 13 1HD2 LEU 13 -1.677 -15.101 -0.180 98 2HD2 LEU 13 2HD2 LEU 13 -0.004 -15.403 0.292 99 3HD2 LEU 13 3HD2 LEU 13 -1.322 -15.878 1.364 100 H GLY 14 H GLY 14 -0.105 -10.997 1.647 101 1HA GLY 14 1HA GLY 14 1.307 -10.479 3.452 102 2HA GLY 14 2HA GLY 14 -0.079 -10.567 4.534 103 H TYR 15 H TYR 15 0.528 -8.589 5.510 104 HA TYR 15 HA TYR 15 0.288 -6.185 3.812 105 1HB TYR 15 1HB TYR 15 -1.177 -6.707 6.408 106 2HB TYR 15 2HB TYR 15 -1.067 -5.126 5.634 107 HD1 TYR 15 HD1 TYR 15 -2.103 -4.730 3.427 108 HD2 TYR 15 HD2 TYR 15 -2.587 -8.455 5.502 109 HE1 TYR 15 HE1 TYR 15 -3.992 -5.307 1.936 110 HE2 TYR 15 HE2 TYR 15 -4.481 -9.038 4.010 111 HH TYR 15 HH TYR 15 -6.230 -7.372 2.525 112 H GLN 16 H GLN 16 0.915 -4.185 5.123 113 HA GLN 16 HA GLN 16 3.528 -4.667 6.247 114 1HB GLN 16 1HB GLN 16 2.508 -2.546 4.900 115 2HB GLN 16 2HB GLN 16 2.306 -1.981 6.556 116 1HG GLN 16 1HG GLN 16 4.683 -2.418 7.017 117 2HG GLN 16 2HG GLN 16 4.898 -3.028 5.375 118 2HE2 GLN 16 2HE2 GLN 16 3.114 -0.161 6.597 119 1HE2 GLN 16 1HE2 GLN 16 3.934 0.951 5.617 120 H LYS 17 H LYS 17 4.216 -3.830 8.331 121 HA LYS 17 HA LYS 17 2.065 -3.814 10.357 122 1HB LYS 17 1HB LYS 17 4.575 -5.445 10.269 123 2HB LYS 17 2HB LYS 17 3.963 -4.901 11.831 124 1HG LYS 17 1HG LYS 17 1.659 -5.801 10.818 125 2HG LYS 17 2HG LYS 17 2.759 -6.821 9.889 126 1HD LYS 17 1HD LYS 17 3.264 -6.567 12.819 127 2HD LYS 17 2HD LYS 17 1.887 -7.546 12.312 128 1HE LYS 17 1HE LYS 17 4.499 -7.951 10.911 129 2HE LYS 17 2HE LYS 17 4.310 -8.617 12.533 130 1HZ LYS 17 1HZ LYS 17 2.449 -9.098 10.269 131 2HZ LYS 17 2HZ LYS 17 3.644 -10.182 10.792 132 3HZ LYS 17 3HZ LYS 17 2.350 -9.787 11.819 133 H ARG 18 H ARG 18 3.485 -1.622 9.032 134 HA ARG 18 HA ARG 18 4.338 -0.223 11.433 135 1HB ARG 18 1HB ARG 18 6.438 0.593 10.330 136 2HB ARG 18 2HB ARG 18 6.466 -1.125 10.728 137 1HG ARG 18 1HG ARG 18 5.907 -1.713 8.431 138 2HG ARG 18 2HG ARG 18 5.726 -0.010 8.008 139 1HD ARG 18 1HD ARG 18 8.000 0.385 8.041 140 2HD ARG 18 2HD ARG 18 8.309 -0.878 9.227 141 HE ARG 18 HE ARG 18 8.343 -1.173 6.374 142 1HH1 ARG 18 1HH1 ARG 18 7.616 -2.837 9.367 143 2HH1 ARG 18 2HH1 ARG 18 7.910 -4.405 8.699 144 1HH2 ARG 18 1HH2 ARG 18 8.718 -3.237 5.544 145 2HH2 ARG 18 2HH2 ARG 18 8.530 -4.632 6.554 146 HA PRO 19 HA PRO 19 2.276 2.876 8.958 147 1HB PRO 19 1HB PRO 19 2.423 4.936 10.744 148 2HB PRO 19 2HB PRO 19 1.296 3.582 10.897 149 1HG PRO 19 1HG PRO 19 3.710 4.182 12.469 150 2HG PRO 19 2HG PRO 19 2.315 3.177 12.885 151 1HD PRO 19 1HD PRO 19 4.891 2.288 11.989 152 2HD PRO 19 2HD PRO 19 3.452 1.293 12.318 153 H LEU 20 H LEU 20 3.026 4.091 7.316 154 HA LEU 20 HA LEU 20 5.664 5.393 7.620 155 1HB LEU 20 1HB LEU 20 4.469 5.247 4.929 156 2HB LEU 20 2HB LEU 20 6.120 4.987 5.441 157 HG LEU 20 HG LEU 20 3.837 3.008 5.483 158 1HD1 LEU 20 1HD1 LEU 20 5.488 3.643 3.451 159 2HD1 LEU 20 2HD1 LEU 20 6.509 2.470 4.284 160 3HD1 LEU 20 3HD1 LEU 20 4.905 2.000 3.719 161 1HD2 LEU 20 1HD2 LEU 20 6.460 3.042 6.927 162 2HD2 LEU 20 2HD2 LEU 20 4.910 2.372 7.436 163 3HD2 LEU 20 3HD2 LEU 20 5.898 1.511 6.258 164 HA PRO 21 HA PRO 21 3.639 9.313 7.226 165 1HB PRO 21 1HB PRO 21 5.772 10.852 6.477 166 2HB PRO 21 2HB PRO 21 5.545 10.217 8.115 167 1HG PRO 21 1HG PRO 21 7.464 9.382 6.033 168 2HG PRO 21 2HG PRO 21 7.554 9.190 7.789 169 1HD PRO 21 1HD PRO 21 6.828 7.195 5.875 170 2HD PRO 21 2HD PRO 21 6.770 7.054 7.647 171 H GLN 22 H GLN 22 2.627 10.601 5.713 172 HA GLN 22 HA GLN 22 2.705 9.792 2.961 173 1HB GLN 22 1HB GLN 22 0.692 10.715 4.254 174 2HB GLN 22 2HB GLN 22 1.410 12.306 4.004 175 1HG GLN 22 1HG GLN 22 1.244 10.580 1.596 176 2HG GLN 22 2HG GLN 22 -0.297 11.147 2.238 177 2HE2 GLN 22 2HE2 GLN 22 1.388 11.987 -0.228 178 1HE2 GLN 22 1HE2 GLN 22 1.475 13.676 -0.089 179 H VAL 23 H VAL 23 4.681 11.859 4.762 180 HA VAL 23 HA VAL 23 5.160 14.052 3.152 181 HB VAL 23 HB VAL 23 6.119 13.734 5.398 182 1HG1 VAL 23 1HG1 VAL 23 6.793 11.248 4.618 183 2HG1 VAL 23 2HG1 VAL 23 8.333 12.057 4.332 184 3HG1 VAL 23 3HG1 VAL 23 7.611 12.081 5.940 185 1HG2 VAL 23 1HG2 VAL 23 7.182 15.184 3.470 186 2HG2 VAL 23 2HG2 VAL 23 8.059 14.953 4.984 187 3HG2 VAL 23 3HG2 VAL 23 8.480 13.994 3.565 188 H LEU 24 H LEU 24 5.986 10.723 2.548 189 HA LEU 24 HA LEU 24 7.429 11.601 0.125 190 1HB LEU 24 1HB LEU 24 9.075 9.988 0.342 191 2HB LEU 24 2HB LEU 24 8.898 10.629 1.954 192 HG LEU 24 HG LEU 24 9.144 8.333 2.290 193 1HD1 LEU 24 1HD1 LEU 24 7.076 9.287 3.386 194 2HD1 LEU 24 2HD1 LEU 24 6.136 8.578 2.074 195 3HD1 LEU 24 3HD1 LEU 24 7.055 7.538 3.161 196 1HD2 LEU 24 1HD2 LEU 24 8.594 8.017 -0.308 197 2HD2 LEU 24 2HD2 LEU 24 8.530 6.668 0.826 198 3HD2 LEU 24 3HD2 LEU 24 7.044 7.489 0.347 199 H LEU 25 H LEU 25 4.675 10.113 1.167 200 HA LEU 25 HA LEU 25 4.598 7.939 -0.738 201 1HB LEU 25 1HB LEU 25 3.286 8.380 1.559 202 2HB LEU 25 2HB LEU 25 2.116 9.047 0.447 203 HG LEU 25 HG LEU 25 1.865 6.920 -0.662 204 1HD1 LEU 25 1HD1 LEU 25 4.382 6.328 0.790 205 2HD1 LEU 25 2HD1 LEU 25 3.222 5.002 0.710 206 3HD1 LEU 25 3HD1 LEU 25 3.820 5.741 -0.774 207 1HD2 LEU 25 1HD2 LEU 25 1.714 7.071 2.316 208 2HD2 LEU 25 2HD2 LEU 25 0.418 6.871 1.136 209 3HD2 LEU 25 3HD2 LEU 25 1.440 5.500 1.566 210 H SER 26 H SER 26 2.600 7.880 -2.244 211 HA SER 26 HA SER 26 2.221 10.530 -3.503 212 1HB SER 26 1HB SER 26 2.911 7.921 -4.853 213 2HB SER 26 2HB SER 26 2.216 9.287 -5.720 214 HG SER 26 HG SER 26 4.726 8.984 -4.531 215 H SER 27 H SER 27 1.072 7.171 -3.918 216 HA SER 27 HA SER 27 -1.653 7.946 -3.273 217 1HB SER 27 1HB SER 27 -1.436 6.680 -5.943 218 2HB SER 27 2HB SER 27 -2.619 7.831 -5.335 219 HG SER 27 HG SER 27 -1.169 9.468 -5.647 220 H TRP 28 H TRP 28 -3.058 5.871 -4.202 221 HA TRP 28 HA TRP 28 -1.645 3.379 -3.583 222 1HB TRP 28 1HB TRP 28 -3.462 2.735 -1.963 223 2HB TRP 28 2HB TRP 28 -2.406 4.022 -1.384 224 HD1 TRP 28 HD1 TRP 28 -3.378 6.523 -1.409 225 HE1 TRP 28 HE1 TRP 28 -5.796 7.413 -1.359 226 HE3 TRP 28 HE3 TRP 28 -5.907 2.266 -2.676 227 HZ2 TRP 28 HZ2 TRP 28 -8.453 6.440 -1.818 228 HZ3 TRP 28 HZ3 TRP 28 -8.374 2.279 -2.861 229 HH2 TRP 28 HH2 TRP 28 -9.651 4.358 -2.428 230 H TYR 29 H TYR 29 -2.498 1.632 -4.632 231 HA TYR 29 HA TYR 29 -4.963 2.138 -6.183 232 1HB TYR 29 1HB TYR 29 -4.132 0.848 -7.985 233 2HB TYR 29 2HB TYR 29 -2.797 1.883 -7.503 234 HD1 TYR 29 HD1 TYR 29 -0.896 0.914 -6.134 235 HD2 TYR 29 HD2 TYR 29 -4.004 -1.526 -7.823 236 HE1 TYR 29 HE1 TYR 29 0.522 -1.095 -5.849 237 HE2 TYR 29 HE2 TYR 29 -2.582 -3.536 -7.533 238 HH TYR 29 HH TYR 29 0.417 -3.642 -7.284 239 HA PRO 30 HA PRO 30 -6.621 -1.299 -3.946 240 1HB PRO 30 1HB PRO 30 -8.844 -1.770 -5.464 241 2HB PRO 30 2HB PRO 30 -8.682 -0.404 -4.351 242 1HG PRO 30 1HG PRO 30 -8.595 -0.438 -7.308 243 2HG PRO 30 2HG PRO 30 -9.039 0.875 -6.208 244 1HD PRO 30 1HD PRO 30 -6.560 0.570 -7.563 245 2HD PRO 30 2HD PRO 30 -6.929 1.741 -6.276 246 H THR 31 H THR 31 -7.003 -3.561 -4.040 247 HA THR 31 HA THR 31 -5.478 -4.936 -6.084 248 HB THR 31 HB THR 31 -6.503 -6.947 -4.625 249 HG1 THR 31 HG1 THR 31 -6.588 -6.039 -2.437 250 1HG2 THR 31 1HG2 THR 31 -4.087 -6.018 -4.907 251 2HG2 THR 31 2HG2 THR 31 -4.395 -5.203 -3.373 252 3HG2 THR 31 3HG2 THR 31 -4.462 -6.963 -3.466 253 H SER 32 H SER 32 -6.629 -7.241 -6.595 254 HA SER 32 HA SER 32 -8.953 -6.505 -8.207 255 1HB SER 32 1HB SER 32 -6.835 -8.056 -8.816 256 2HB SER 32 2HB SER 32 -7.934 -9.295 -8.218 257 HG SER 32 HG SER 32 -8.550 -7.332 -10.181 258 H GLN 33 H GLN 33 -10.709 -8.235 -8.369 259 HA GLN 33 HA GLN 33 -11.585 -8.861 -5.630 260 1HB GLN 33 1HB GLN 33 -12.970 -8.306 -8.206 261 2HB GLN 33 2HB GLN 33 -13.759 -9.417 -7.087 262 1HG GLN 33 1HG GLN 33 -14.069 -7.794 -5.472 263 2HG GLN 33 2HG GLN 33 -12.651 -6.873 -5.978 264 2HE2 GLN 33 2HE2 GLN 33 -16.073 -7.079 -6.258 265 1HE2 GLN 33 1HE2 GLN 33 -16.265 -5.922 -7.484 266 H LEU 34 H LEU 34 -9.589 -10.476 -7.105 267 HA LEU 34 HA LEU 34 -11.066 -13.038 -7.104 268 1HB LEU 34 1HB LEU 34 -8.621 -12.543 -8.778 269 2HB LEU 34 2HB LEU 34 -9.752 -13.871 -8.880 270 HG LEU 34 HG LEU 34 -10.167 -12.524 -10.778 271 1HD1 LEU 34 1HD1 LEU 34 -12.142 -12.977 -8.933 272 2HD1 LEU 34 2HD1 LEU 34 -12.288 -11.236 -9.178 273 3HD1 LEU 34 3HD1 LEU 34 -12.420 -12.335 -10.552 274 1HD2 LEU 34 1HD2 LEU 34 -9.005 -10.501 -9.408 275 2HD2 LEU 34 2HD2 LEU 34 -9.957 -10.244 -10.869 276 3HD2 LEU 34 3HD2 LEU 34 -10.694 -10.009 -9.285 277 H CYS 35 H CYS 35 -9.709 -11.727 -4.909 278 HA CYS 35 HA CYS 35 -7.539 -13.691 -4.445 279 1HB CYS 35 1HB CYS 35 -7.668 -10.957 -3.163 280 2HB CYS 35 2HB CYS 35 -6.324 -12.093 -3.149 281 H SER 36 H SER 36 -7.249 -14.312 -2.189 282 HA SER 36 HA SER 36 -9.682 -15.025 -0.936 283 1HB SER 36 1HB SER 36 -7.480 -16.218 -0.651 284 2HB SER 36 2HB SER 36 -6.964 -14.889 0.383 285 HG SER 36 HG SER 36 -7.876 -16.581 1.600 286 H LYS 37 H LYS 37 -7.167 -12.741 0.101 287 HA LYS 37 HA LYS 37 -9.251 -11.074 1.345 288 1HB LYS 37 1HB LYS 37 -7.769 -10.716 3.320 289 2HB LYS 37 2HB LYS 37 -8.349 -12.377 3.190 290 1HG LYS 37 1HG LYS 37 -6.107 -12.675 1.783 291 2HG LYS 37 2HG LYS 37 -5.599 -11.289 2.748 292 1HD LYS 37 1HD LYS 37 -6.714 -12.807 4.691 293 2HD LYS 37 2HD LYS 37 -6.167 -14.078 3.596 294 1HE LYS 37 1HE LYS 37 -3.972 -12.493 3.590 295 2HE LYS 37 2HE LYS 37 -4.578 -12.161 5.213 296 1HZ LYS 37 1HZ LYS 37 -4.683 -14.570 5.589 297 2HZ LYS 37 2HZ LYS 37 -3.997 -14.835 4.061 298 3HZ LYS 37 3HZ LYS 37 -3.102 -14.038 5.266 299 HA PRO 38 HA PRO 38 -6.154 -8.632 -1.079 300 1HB PRO 38 1HB PRO 38 -7.922 -7.458 -2.796 301 2HB PRO 38 2HB PRO 38 -7.165 -9.030 -3.088 302 1HG PRO 38 1HG PRO 38 -9.948 -8.404 -2.313 303 2HG PRO 38 2HG PRO 38 -9.305 -9.815 -3.164 304 1HD PRO 38 1HD PRO 38 -10.029 -9.665 -0.412 305 2HD PRO 38 2HD PRO 38 -9.193 -11.010 -1.225 306 H GLY 39 H GLY 39 -5.526 -6.665 -0.399 307 1HA GLY 39 1HA GLY 39 -5.864 -4.970 1.345 308 2HA GLY 39 2HA GLY 39 -7.547 -4.879 0.829 309 H VAL 40 H VAL 40 -4.524 -3.468 0.562 310 HA VAL 40 HA VAL 40 -4.841 -2.456 -2.149 311 HB VAL 40 HB VAL 40 -4.908 -0.504 0.166 312 1HG1 VAL 40 1HG1 VAL 40 -3.955 -0.044 -2.289 313 2HG1 VAL 40 2HG1 VAL 40 -5.671 0.182 -2.625 314 3HG1 VAL 40 3HG1 VAL 40 -4.873 1.165 -1.398 315 1HG2 VAL 40 1HG2 VAL 40 -7.113 -1.488 -1.657 316 2HG2 VAL 40 2HG2 VAL 40 -7.036 -1.658 0.097 317 3HG2 VAL 40 3HG2 VAL 40 -7.247 -0.063 -0.627 318 H ILE 41 H ILE 41 -2.957 -1.760 -3.007 319 HA ILE 41 HA ILE 41 -0.595 -1.872 -1.247 320 HB ILE 41 HB ILE 41 -0.963 -2.448 -4.186 321 1HG1 ILE 41 1HG1 ILE 41 0.364 -4.519 -3.320 322 2HG1 ILE 41 2HG1 ILE 41 -0.124 -3.949 -1.724 323 1HG2 ILE 41 1HG2 ILE 41 1.085 -1.067 -3.953 324 2HG2 ILE 41 2HG2 ILE 41 1.671 -2.161 -2.698 325 3HG2 ILE 41 3HG2 ILE 41 1.484 -2.739 -4.354 326 1HD1 ILE 41 1HD1 ILE 41 -2.174 -4.216 -3.907 327 2HD1 ILE 41 2HD1 ILE 41 -1.673 -5.637 -2.990 328 3HD1 ILE 41 3HD1 ILE 41 -2.401 -4.263 -2.158 329 H PHE 42 H PHE 42 0.569 -0.093 -0.925 330 HA PHE 42 HA PHE 42 -0.274 2.391 -2.203 331 1HB PHE 42 1HB PHE 42 1.615 1.759 0.066 332 2HB PHE 42 2HB PHE 42 1.453 3.381 -0.607 333 HD1 PHE 42 HD1 PHE 42 -0.786 0.566 0.489 334 HD2 PHE 42 HD2 PHE 42 -0.056 4.799 0.440 335 HE1 PHE 42 HE1 PHE 42 -2.826 0.935 1.849 336 HE2 PHE 42 HE2 PHE 42 -2.094 5.163 1.801 337 HZ PHE 42 HZ PHE 42 -3.478 3.236 2.508 338 H LEU 43 H LEU 43 1.469 3.936 -2.878 339 HA LEU 43 HA LEU 43 3.856 2.644 -3.992 340 1HB LEU 43 1HB LEU 43 2.292 4.451 -5.776 341 2HB LEU 43 2HB LEU 43 3.476 3.234 -6.196 342 HG LEU 43 HG LEU 43 0.822 2.416 -5.045 343 1HD1 LEU 43 1HD1 LEU 43 0.434 4.001 -6.956 344 2HD1 LEU 43 2HD1 LEU 43 1.387 2.926 -7.979 345 3HD1 LEU 43 3HD1 LEU 43 -0.128 2.360 -7.277 346 1HD2 LEU 43 1HD2 LEU 43 3.103 1.199 -6.522 347 2HD2 LEU 43 2HD2 LEU 43 2.074 0.501 -5.270 348 3HD2 LEU 43 3HD2 LEU 43 1.495 0.604 -6.934 349 H THR 44 H THR 44 5.245 3.854 -2.759 350 HA THR 44 HA THR 44 4.927 6.609 -2.182 351 HB THR 44 HB THR 44 7.294 6.550 -1.532 352 HG1 THR 44 HG1 THR 44 7.228 3.979 -2.726 353 1HG2 THR 44 1HG2 THR 44 5.354 4.461 -0.717 354 2HG2 THR 44 2HG2 THR 44 7.026 4.192 -0.223 355 3HG2 THR 44 3HG2 THR 44 6.189 5.666 0.262 356 H LYS 45 H LYS 45 6.683 8.232 -2.887 357 HA LYS 45 HA LYS 45 6.382 8.725 -5.656 358 1HB LYS 45 1HB LYS 45 8.453 9.884 -3.774 359 2HB LYS 45 2HB LYS 45 7.959 10.559 -5.327 360 1HG LYS 45 1HG LYS 45 5.882 11.233 -4.531 361 2HG LYS 45 2HG LYS 45 5.862 10.016 -3.254 362 1HD LYS 45 1HD LYS 45 6.251 12.074 -2.129 363 2HD LYS 45 2HD LYS 45 7.834 11.301 -2.224 364 1HE LYS 45 1HE LYS 45 7.963 12.632 -4.521 365 2HE LYS 45 2HE LYS 45 6.791 13.675 -3.717 366 1HZ LYS 45 1HZ LYS 45 8.333 13.837 -1.832 367 2HZ LYS 45 2HZ LYS 45 9.475 12.922 -2.696 368 3HZ LYS 45 3HZ LYS 45 9.006 14.448 -3.267 369 H ARG 46 H ARG 46 9.307 7.887 -3.803 370 HA ARG 46 HA ARG 46 10.351 6.526 -6.212 371 1HB ARG 46 1HB ARG 46 11.438 8.760 -5.786 372 2HB ARG 46 2HB ARG 46 12.031 8.097 -4.262 373 1HG ARG 46 1HG ARG 46 13.447 6.572 -5.318 374 2HG ARG 46 2HG ARG 46 12.507 6.583 -6.811 375 1HD ARG 46 1HD ARG 46 13.225 8.974 -7.149 376 2HD ARG 46 2HD ARG 46 14.302 8.788 -5.769 377 HE ARG 46 HE ARG 46 14.733 7.775 -8.426 378 1HH1 ARG 46 1HH1 ARG 46 15.381 7.206 -5.034 379 2HH1 ARG 46 2HH1 ARG 46 16.826 6.307 -5.344 380 1HH2 ARG 46 1HH2 ARG 46 16.622 6.598 -8.787 381 2HH2 ARG 46 2HH2 ARG 46 17.525 5.965 -7.450 382 H GLY 47 H GLY 47 9.338 6.051 -3.099 383 1HA GLY 47 1HA GLY 47 9.833 4.542 -1.429 384 2HA GLY 47 2HA GLY 47 11.454 4.395 -2.101 385 H ARG 48 H ARG 48 8.502 2.878 -1.652 386 HA ARG 48 HA ARG 48 8.701 1.081 -3.942 387 1HB ARG 48 1HB ARG 48 9.623 0.365 -1.212 388 2HB ARG 48 2HB ARG 48 8.624 -0.832 -2.036 389 1HG ARG 48 1HG ARG 48 10.127 -0.836 -3.952 390 2HG ARG 48 2HG ARG 48 11.087 0.461 -3.240 391 1HD ARG 48 1HD ARG 48 12.085 -1.816 -2.908 392 2HD ARG 48 2HD ARG 48 11.765 -0.958 -1.404 393 HE ARG 48 HE ARG 48 9.591 -2.675 -2.226 394 1HH1 ARG 48 1HH1 ARG 48 12.647 -2.523 -0.526 395 2HH1 ARG 48 2HH1 ARG 48 12.301 -3.906 0.453 396 1HH2 ARG 48 1HH2 ARG 48 9.179 -4.474 -0.928 397 2HH2 ARG 48 2HH2 ARG 48 10.354 -5.002 0.229 398 H GLN 49 H GLN 49 7.099 -0.916 -3.295 399 HA GLN 49 HA GLN 49 4.530 0.395 -2.837 400 1HB GLN 49 1HB GLN 49 5.398 -2.254 -3.949 401 2HB GLN 49 2HB GLN 49 3.746 -2.048 -3.371 402 1HG GLN 49 1HG GLN 49 3.387 -1.303 -5.503 403 2HG GLN 49 2HG GLN 49 4.004 0.212 -4.844 404 2HE2 GLN 49 2HE2 GLN 49 4.492 -2.071 -7.308 405 1HE2 GLN 49 1HE2 GLN 49 6.071 -1.624 -7.744 406 H VAL 50 H VAL 50 2.909 -0.741 -1.454 407 HA VAL 50 HA VAL 50 3.980 -2.409 0.685 408 HB VAL 50 HB VAL 50 2.887 0.362 1.234 409 1HG1 VAL 50 1HG1 VAL 50 2.106 -1.372 2.877 410 2HG1 VAL 50 2HG1 VAL 50 3.794 -1.756 3.211 411 3HG1 VAL 50 3HG1 VAL 50 3.159 -0.156 3.597 412 1HG2 VAL 50 1HG2 VAL 50 5.597 -0.938 1.509 413 2HG2 VAL 50 2HG2 VAL 50 5.182 0.551 0.661 414 3HG2 VAL 50 3HG2 VAL 50 5.163 0.505 2.424 415 H CYS 51 H CYS 51 2.518 -3.894 1.122 416 HA CYS 51 HA CYS 51 -0.233 -3.618 0.240 417 1HB CYS 51 1HB CYS 51 1.157 -5.818 1.797 418 2HB CYS 51 2HB CYS 51 -0.491 -5.902 1.177 419 H ALA 52 H ALA 52 -1.638 -2.473 1.450 420 HA ALA 52 HA ALA 52 -1.562 -2.872 4.373 421 1HB ALA 52 1HB ALA 52 -0.548 -0.606 3.351 422 2HB ALA 52 2HB ALA 52 -2.250 -0.149 3.416 423 3HB ALA 52 3HB ALA 52 -1.416 -0.655 4.886 424 H ASP 53 H ASP 53 -3.505 -2.996 5.347 425 HA ASP 53 HA ASP 53 -5.863 -3.033 3.605 426 1HB ASP 53 1HB ASP 53 -5.158 -4.223 6.247 427 2HB ASP 53 2HB ASP 53 -6.855 -3.840 5.952 428 H LYS 54 H LYS 54 -7.396 -1.501 3.667 429 HA LYS 54 HA LYS 54 -7.007 0.978 4.880 430 1HB LYS 54 1HB LYS 54 -9.417 1.394 4.404 431 2HB LYS 54 2HB LYS 54 -8.552 0.715 3.024 432 1HG LYS 54 1HG LYS 54 -9.351 -1.579 4.164 433 2HG LYS 54 2HG LYS 54 -10.640 -0.528 4.750 434 1HD LYS 54 1HD LYS 54 -11.564 -1.118 2.724 435 2HD LYS 54 2HD LYS 54 -10.616 0.273 2.194 436 1HE LYS 54 1HE LYS 54 -9.016 -1.031 1.161 437 2HE LYS 54 2HE LYS 54 -9.256 -2.385 2.266 438 1HZ LYS 54 1HZ LYS 54 -11.359 -1.571 0.360 439 2HZ LYS 54 2HZ LYS 54 -10.108 -2.622 -0.107 440 3HZ LYS 54 3HZ LYS 54 -11.163 -3.059 1.150 441 H SER 55 H SER 55 -8.320 -1.948 6.221 442 HA SER 55 HA SER 55 -9.898 -0.948 8.302 443 1HB SER 55 1HB SER 55 -8.466 -3.467 7.754 444 2HB SER 55 2HB SER 55 -8.795 -3.146 9.454 445 HG SER 55 HG SER 55 -10.633 -3.230 7.292 446 H LYS 56 H LYS 56 -6.431 -1.063 7.920 447 HA LYS 56 HA LYS 56 -5.623 -0.791 10.600 448 1HB LYS 56 1HB LYS 56 -4.331 0.313 8.093 449 2HB LYS 56 2HB LYS 56 -3.550 0.195 9.669 450 1HG LYS 56 1HG LYS 56 -4.408 -2.346 9.430 451 2HG LYS 56 2HG LYS 56 -4.216 -1.952 7.721 452 1HD LYS 56 1HD LYS 56 -1.928 -1.649 7.904 453 2HD LYS 56 2HD LYS 56 -2.021 -1.185 9.603 454 1HE LYS 56 1HE LYS 56 -1.005 -3.446 9.271 455 2HE LYS 56 2HE LYS 56 -2.468 -3.489 10.255 456 1HZ LYS 56 1HZ LYS 56 -2.454 -3.963 7.328 457 2HZ LYS 56 2HZ LYS 56 -2.344 -5.210 8.473 458 3HZ LYS 56 3HZ LYS 56 -3.733 -4.232 8.414 459 H ASP 57 H ASP 57 -4.261 1.431 11.049 460 HA ASP 57 HA ASP 57 -6.355 3.497 11.130 461 1HB ASP 57 1HB ASP 57 -3.922 2.942 12.809 462 2HB ASP 57 2HB ASP 57 -4.690 4.530 12.826 463 H TRP 58 H TRP 58 -2.802 3.354 10.770 464 HA TRP 58 HA TRP 58 -2.566 5.962 9.727 465 1HB TRP 58 1HB TRP 58 -0.313 5.278 8.967 466 2HB TRP 58 2HB TRP 58 -0.621 4.856 10.646 467 HD1 TRP 58 HD1 TRP 58 -1.100 2.251 11.188 468 HE1 TRP 58 HE1 TRP 58 -0.300 0.125 9.974 469 HE3 TRP 58 HE3 TRP 58 0.224 4.251 6.684 470 HZ2 TRP 58 HZ2 TRP 58 0.768 -0.637 7.413 471 HZ3 TRP 58 HZ3 TRP 58 1.134 2.809 4.887 472 HH2 TRP 58 HH2 TRP 58 1.406 0.382 5.246 473 H VAL 59 H VAL 59 -3.310 2.910 8.208 474 HA VAL 59 HA VAL 59 -2.821 3.799 5.522 475 HB VAL 59 HB VAL 59 -4.589 1.532 6.471 476 1HG1 VAL 59 1HG1 VAL 59 -4.598 2.513 4.002 477 2HG1 VAL 59 2HG1 VAL 59 -3.093 1.605 3.875 478 3HG1 VAL 59 3HG1 VAL 59 -4.593 0.770 4.274 479 1HG2 VAL 59 1HG2 VAL 59 -2.150 1.543 7.255 480 2HG2 VAL 59 2HG2 VAL 59 -2.662 0.128 6.335 481 3HG2 VAL 59 3HG2 VAL 59 -1.711 1.390 5.553 482 H LYS 60 H LYS 60 -5.529 3.857 7.742 483 HA LYS 60 HA LYS 60 -7.566 4.478 5.868 484 1HB LYS 60 1HB LYS 60 -7.809 3.759 8.337 485 2HB LYS 60 2HB LYS 60 -7.550 5.463 8.715 486 1HG LYS 60 1HG LYS 60 -9.526 6.136 7.678 487 2HG LYS 60 2HG LYS 60 -9.579 4.715 6.633 488 1HD LYS 60 1HD LYS 60 -10.084 3.297 8.597 489 2HD LYS 60 2HD LYS 60 -10.060 4.728 9.628 490 1HE LYS 60 1HE LYS 60 -11.835 4.720 7.213 491 2HE LYS 60 2HE LYS 60 -12.346 3.831 8.647 492 1HZ LYS 60 1HZ LYS 60 -11.385 6.609 8.868 493 2HZ LYS 60 2HZ LYS 60 -12.993 6.289 8.426 494 3HZ LYS 60 3HZ LYS 60 -12.395 5.744 9.920 495 H LYS 61 H LYS 61 -5.462 6.500 7.890 496 HA LYS 61 HA LYS 61 -6.537 9.000 7.152 497 1HB LYS 61 1HB LYS 61 -4.756 8.344 8.987 498 2HB LYS 61 2HB LYS 61 -3.608 8.714 7.701 499 1HG LYS 61 1HG LYS 61 -4.344 10.955 7.528 500 2HG LYS 61 2HG LYS 61 -5.841 10.619 8.398 501 1HD LYS 61 1HD LYS 61 -4.610 11.613 10.090 502 2HD LYS 61 2HD LYS 61 -4.160 9.924 10.334 503 1HE LYS 61 1HE LYS 61 -2.552 11.585 8.425 504 2HE LYS 61 2HE LYS 61 -2.290 11.786 10.159 505 1HZ LYS 61 1HZ LYS 61 -2.196 9.218 10.137 506 2HZ LYS 61 2HZ LYS 61 -1.865 9.407 8.482 507 3HZ LYS 61 3HZ LYS 61 -0.835 10.104 9.635 508 H LEU 62 H LEU 62 -3.912 7.065 5.754 509 HA LEU 62 HA LEU 62 -3.083 8.926 3.799 510 1HB LEU 62 1HB LEU 62 -3.050 5.915 3.699 511 2HB LEU 62 2HB LEU 62 -2.207 6.966 2.585 512 HG LEU 62 HG LEU 62 -1.625 7.254 5.499 513 1HD1 LEU 62 1HD1 LEU 62 -1.104 4.852 3.826 514 2HD1 LEU 62 2HD1 LEU 62 0.257 5.449 4.775 515 3HD1 LEU 62 3HD1 LEU 62 -1.245 4.995 5.577 516 1HD2 LEU 62 1HD2 LEU 62 -0.329 7.748 2.855 517 2HD2 LEU 62 2HD2 LEU 62 -0.339 8.753 4.305 518 3HD2 LEU 62 3HD2 LEU 62 0.728 7.351 4.210 519 H MET 63 H MET 63 -5.486 6.344 3.749 520 HA MET 63 HA MET 63 -6.251 6.394 1.077 521 1HB MET 63 1HB MET 63 -7.768 5.814 3.605 522 2HB MET 63 2HB MET 63 -8.584 5.792 2.042 523 1HG MET 63 1HG MET 63 -6.395 4.322 1.431 524 2HG MET 63 2HG MET 63 -6.542 3.931 3.142 525 1HE MET 63 1HE MET 63 -7.089 3.243 -0.090 526 2HE MET 63 2HE MET 63 -7.237 1.592 0.504 527 3HE MET 63 3HE MET 63 -8.582 2.334 -0.359 528 H GLN 64 H GLN 64 -7.165 8.543 3.708 529 HA GLN 64 HA GLN 64 -9.040 10.015 2.024 530 1HB GLN 64 1HB GLN 64 -9.155 9.568 4.631 531 2HB GLN 64 2HB GLN 64 -8.149 11.016 4.696 532 1HG GLN 64 1HG GLN 64 -9.802 12.371 3.754 533 2HG GLN 64 2HG GLN 64 -10.627 11.007 2.997 534 2HE2 GLN 64 2HE2 GLN 64 -9.574 11.464 6.412 535 1HE2 GLN 64 1HE2 GLN 64 -11.123 11.255 7.071 536 H GLN 65 H GLN 65 -5.762 10.276 3.221 537 HA GLN 65 HA GLN 65 -5.410 13.044 2.570 538 1HB GLN 65 1HB GLN 65 -3.609 10.790 3.358 539 2HB GLN 65 2HB GLN 65 -2.901 12.247 2.665 540 1HG GLN 65 1HG GLN 65 -4.618 13.364 4.445 541 2HG GLN 65 2HG GLN 65 -4.243 11.857 5.283 542 2HE2 GLN 65 2HE2 GLN 65 -2.052 11.531 6.030 543 1HE2 GLN 65 1HE2 GLN 65 -0.902 12.780 6.014 544 H LEU 66 H LEU 66 -4.855 9.989 0.905 545 HA LEU 66 HA LEU 66 -3.862 11.463 -1.451 546 1HB LEU 66 1HB LEU 66 -3.655 8.579 -0.648 547 2HB LEU 66 2HB LEU 66 -3.269 9.143 -2.259 548 HG LEU 66 HG LEU 66 -1.219 8.962 -1.075 549 1HD1 LEU 66 1HD1 LEU 66 -1.939 11.258 -2.280 550 2HD1 LEU 66 2HD1 LEU 66 -1.601 11.876 -0.664 551 3HD1 LEU 66 3HD1 LEU 66 -0.346 11.022 -1.561 552 1HD2 LEU 66 1HD2 LEU 66 -2.577 9.170 1.192 553 2HD2 LEU 66 2HD2 LEU 66 -0.864 9.581 1.133 554 3HD2 LEU 66 3HD2 LEU 66 -2.080 10.857 1.074 555 HA PRO 67 HA PRO 67 -7.656 10.527 -3.502 556 1HB PRO 67 1HB PRO 67 -6.851 10.665 -6.116 557 2HB PRO 67 2HB PRO 67 -7.081 12.078 -5.077 558 1HG PRO 67 1HG PRO 67 -4.568 10.833 -6.018 559 2HG PRO 67 2HG PRO 67 -4.883 12.501 -5.522 560 1HD PRO 67 1HD PRO 67 -3.613 10.492 -3.968 561 2HD PRO 67 2HD PRO 67 -4.162 12.084 -3.396 562 H VAL 68 H VAL 68 -5.422 9.057 -5.836 563 HA VAL 68 HA VAL 68 -5.484 6.399 -5.145 564 HB VAL 68 HB VAL 68 -8.089 7.291 -6.216 565 1HG1 VAL 68 1HG1 VAL 68 -7.206 6.250 -8.295 566 2HG1 VAL 68 2HG1 VAL 68 -6.879 4.771 -7.394 567 3HG1 VAL 68 3HG1 VAL 68 -8.539 5.327 -7.602 568 1HG2 VAL 68 1HG2 VAL 68 -6.960 5.324 -4.379 569 2HG2 VAL 68 2HG2 VAL 68 -8.556 6.068 -4.383 570 3HG2 VAL 68 3HG2 VAL 68 -8.252 4.636 -5.362 571 H THR 69 H THR 69 -4.925 4.968 -7.014 572 HA THR 69 HA THR 69 -4.015 6.406 -9.400 573 HB THR 69 HB THR 69 -2.074 6.508 -7.938 574 HG1 THR 69 HG1 THR 69 -0.982 6.025 -9.641 575 1HG2 THR 69 1HG2 THR 69 -3.031 4.247 -6.785 576 2HG2 THR 69 2HG2 THR 69 -1.761 3.565 -7.801 577 3HG2 THR 69 3HG2 THR 69 -1.366 4.797 -6.603 578 H ALA 70 H ALA 70 -5.079 5.308 -10.922 579 HA ALA 70 HA ALA 70 -4.440 2.535 -11.384 580 1HB ALA 70 1HB ALA 70 -6.790 1.742 -11.362 581 2HB ALA 70 2HB ALA 70 -7.287 3.292 -10.683 582 3HB ALA 70 3HB ALA 70 -6.233 2.220 -9.759 583 H ARG 71 H ARG 71 -4.200 2.376 -13.504 584 HA ARG 71 HA ARG 71 -6.142 3.584 -15.314 585 1HB ARG 71 1HB ARG 71 -4.072 5.175 -14.760 586 2HB ARG 71 2HB ARG 71 -3.295 4.165 -15.979 587 1HG ARG 71 1HG ARG 71 -5.071 4.664 -17.580 588 2HG ARG 71 2HG ARG 71 -5.938 5.598 -16.361 589 1HD ARG 71 1HD ARG 71 -3.777 7.001 -16.179 590 2HD ARG 71 2HD ARG 71 -3.314 6.243 -17.699 591 HE ARG 71 HE ARG 71 -5.942 7.335 -17.885 592 1HH1 ARG 71 1HH1 ARG 71 -2.564 8.250 -17.813 593 2HH1 ARG 71 2HH1 ARG 71 -2.820 9.698 -18.726 594 1HH2 ARG 71 1HH2 ARG 71 -6.232 9.231 -19.071 595 2HH2 ARG 71 2HH2 ARG 71 -4.878 10.250 -19.432 No H/Q in entry = 595 Start of MODEL 2 1 H1 LEU 1 H1 LEU 1 -6.629 -4.132 -13.127 2 H2 LEU 1 H2 LEU 1 -7.942 -3.226 -12.545 3 H3 LEU 1 H3 LEU 1 -8.125 -4.885 -12.860 4 HA LEU 1 HA LEU 1 -9.144 -3.711 -14.644 5 1HB LEU 1 1HB LEU 1 -7.519 -1.680 -14.078 6 2HB LEU 1 2HB LEU 1 -6.554 -2.398 -15.367 7 HG LEU 1 HG LEU 1 -9.498 -1.752 -15.656 8 1HD1 LEU 1 1HD1 LEU 1 -7.034 -0.101 -16.079 9 2HD1 LEU 1 2HD1 LEU 1 -8.374 0.080 -17.212 10 3HD1 LEU 1 3HD1 LEU 1 -8.623 0.391 -15.494 11 1HD2 LEU 1 1HD2 LEU 1 -7.311 -2.781 -17.436 12 2HD2 LEU 1 2HD2 LEU 1 -8.992 -3.302 -17.320 13 3HD2 LEU 1 3HD2 LEU 1 -8.591 -1.794 -18.141 14 H GLY 2 H GLY 2 -5.622 -4.152 -15.043 15 1HA GLY 2 1HA GLY 2 -5.892 -6.712 -16.304 16 2HA GLY 2 2HA GLY 2 -4.418 -5.755 -16.196 17 H ALA 3 H ALA 3 -6.632 -7.026 -18.288 18 HA ALA 3 HA ALA 3 -6.942 -4.957 -20.214 19 1HB ALA 3 1HB ALA 3 -5.352 -5.860 -21.918 20 2HB ALA 3 2HB ALA 3 -4.664 -6.898 -20.669 21 3HB ALA 3 3HB ALA 3 -4.545 -5.144 -20.522 22 H SER 4 H SER 4 -6.029 -8.392 -20.486 23 HA SER 4 HA SER 4 -8.781 -9.035 -21.296 24 1HB SER 4 1HB SER 4 -7.761 -10.483 -23.146 25 2HB SER 4 2HB SER 4 -7.803 -8.746 -23.430 26 HG SER 4 HG SER 4 -5.679 -8.639 -23.168 27 H TRP 5 H TRP 5 -5.661 -10.727 -21.327 28 HA TRP 5 HA TRP 5 -6.150 -12.258 -18.983 29 1HB TRP 5 1HB TRP 5 -6.475 -14.472 -20.107 30 2HB TRP 5 2HB TRP 5 -7.853 -13.385 -20.278 31 HD1 TRP 5 HD1 TRP 5 -8.324 -12.341 -22.663 32 HE1 TRP 5 HE1 TRP 5 -7.524 -12.987 -25.027 33 HE3 TRP 5 HE3 TRP 5 -4.457 -15.453 -21.465 34 HZ2 TRP 5 HZ2 TRP 5 -5.509 -14.609 -26.248 35 HZ3 TRP 5 HZ3 TRP 5 -3.115 -16.534 -23.246 36 HH2 TRP 5 HH2 TRP 5 -3.636 -16.116 -25.634 37 H HIS 6 H HIS 6 -4.192 -12.740 -18.269 38 HA HIS 6 HA HIS 6 -2.167 -13.809 -20.066 39 1HB HIS 6 1HB HIS 6 -2.011 -11.079 -18.868 40 2HB HIS 6 2HB HIS 6 -0.536 -12.044 -18.943 41 HD1 HIS 6 HD1 HIS 6 -1.615 -9.463 -20.775 42 HD2 HIS 6 HD2 HIS 6 -1.036 -13.430 -21.917 43 HE1 HIS 6 HE1 HIS 6 -1.312 -9.447 -23.290 44 H ARG 7 H ARG 7 -2.100 -12.218 -16.893 45 HA ARG 7 HA ARG 7 -1.665 -14.799 -15.577 46 1HB ARG 7 1HB ARG 7 0.594 -13.885 -16.242 47 2HB ARG 7 2HB ARG 7 0.274 -12.513 -15.180 48 1HG ARG 7 1HG ARG 7 -0.139 -14.182 -13.316 49 2HG ARG 7 2HG ARG 7 0.475 -15.432 -14.400 50 1HD ARG 7 1HD ARG 7 2.122 -12.967 -14.038 51 2HD ARG 7 2HD ARG 7 2.088 -14.131 -12.719 52 HE ARG 7 HE ARG 7 2.573 -15.583 -15.050 53 1HH1 ARG 7 1HH1 ARG 7 4.125 -13.039 -13.213 54 2HH1 ARG 7 2HH1 ARG 7 5.718 -13.505 -13.698 55 1HH2 ARG 7 1HH2 ARG 7 4.668 -16.157 -15.657 56 2HH2 ARG 7 2HH2 ARG 7 6.026 -15.255 -15.069 57 HA PRO 8 HA PRO 8 -4.160 -11.915 -13.013 58 1HB PRO 8 1HB PRO 8 -6.162 -13.685 -12.445 59 2HB PRO 8 2HB PRO 8 -6.129 -12.673 -13.896 60 1HG PRO 8 1HG PRO 8 -5.647 -15.576 -13.623 61 2HG PRO 8 2HG PRO 8 -6.192 -14.652 -15.030 62 1HD PRO 8 1HD PRO 8 -3.559 -15.632 -14.550 63 2HD PRO 8 2HD PRO 8 -4.068 -14.530 -15.852 64 H ASP 9 H ASP 9 -2.748 -11.852 -11.265 65 HA ASP 9 HA ASP 9 -3.405 -13.340 -8.956 66 1HB ASP 9 1HB ASP 9 -2.202 -15.138 -10.234 67 2HB ASP 9 2HB ASP 9 -0.751 -14.136 -10.175 68 H LYS 10 H LYS 10 -3.187 -10.680 -9.393 69 HA LYS 10 HA LYS 10 -0.586 -9.839 -8.297 70 1HB LYS 10 1HB LYS 10 -1.939 -8.718 -10.309 71 2HB LYS 10 2HB LYS 10 -2.703 -7.857 -8.973 72 1HG LYS 10 1HG LYS 10 -0.535 -7.104 -8.158 73 2HG LYS 10 2HG LYS 10 0.294 -8.062 -9.386 74 1HD LYS 10 1HD LYS 10 -1.052 -6.713 -11.112 75 2HD LYS 10 2HD LYS 10 -1.438 -5.618 -9.783 76 1HE LYS 10 1HE LYS 10 0.823 -5.011 -9.470 77 2HE LYS 10 2HE LYS 10 1.413 -6.405 -10.374 78 1HZ LYS 10 1HZ LYS 10 0.299 -5.423 -12.359 79 2HZ LYS 10 2HZ LYS 10 0.021 -4.017 -11.446 80 3HZ LYS 10 3HZ LYS 10 1.610 -4.518 -11.768 81 H CYS 11 H CYS 11 -2.565 -11.268 -6.689 82 HA CYS 11 HA CYS 11 -3.781 -9.299 -4.938 83 1HB CYS 11 1HB CYS 11 -3.483 -12.277 -4.472 84 2HB CYS 11 2HB CYS 11 -4.613 -11.179 -3.681 85 H CYS 12 H CYS 12 -3.392 -10.221 -2.434 86 HA CYS 12 HA CYS 12 -0.484 -10.307 -1.982 87 1HB CYS 12 1HB CYS 12 -1.615 -7.915 -1.826 88 2HB CYS 12 2HB CYS 12 -2.115 -8.506 -0.242 89 H LEU 13 H LEU 13 0.137 -11.293 -0.070 90 HA LEU 13 HA LEU 13 -2.004 -12.808 1.284 91 1HB LEU 13 1HB LEU 13 0.158 -13.825 0.129 92 2HB LEU 13 2HB LEU 13 0.885 -13.422 1.670 93 HG LEU 13 HG LEU 13 -1.551 -15.189 1.328 94 1HD1 LEU 13 1HD1 LEU 13 0.598 -16.119 0.388 95 2HD1 LEU 13 2HD1 LEU 13 1.303 -15.965 1.998 96 3HD1 LEU 13 3HD1 LEU 13 -0.061 -17.052 1.732 97 1HD2 LEU 13 1HD2 LEU 13 0.008 -14.124 3.645 98 2HD2 LEU 13 2HD2 LEU 13 -1.717 -14.469 3.516 99 3HD2 LEU 13 3HD2 LEU 13 -0.568 -15.787 3.748 100 H GLY 14 H GLY 14 0.750 -10.691 1.805 101 1HA GLY 14 1HA GLY 14 1.647 -10.290 4.073 102 2HA GLY 14 2HA GLY 14 0.000 -10.485 4.665 103 H TYR 15 H TYR 15 1.140 -8.248 5.460 104 HA TYR 15 HA TYR 15 0.486 -6.110 3.552 105 1HB TYR 15 1HB TYR 15 -0.748 -6.418 6.296 106 2HB TYR 15 2HB TYR 15 -0.772 -4.912 5.379 107 HD1 TYR 15 HD1 TYR 15 -1.817 -8.485 5.309 108 HD2 TYR 15 HD2 TYR 15 -2.279 -4.590 3.568 109 HE1 TYR 15 HE1 TYR 15 -3.770 -9.295 4.013 110 HE2 TYR 15 HE2 TYR 15 -4.230 -5.394 2.272 111 HH TYR 15 HH TYR 15 -4.969 -7.858 1.409 112 H GLN 16 H GLN 16 0.880 -3.909 4.868 113 HA GLN 16 HA GLN 16 3.654 -3.749 5.297 114 1HB GLN 16 1HB GLN 16 2.196 -1.815 4.670 115 2HB GLN 16 2HB GLN 16 1.551 -1.821 6.309 116 1HG GLN 16 1HG GLN 16 3.346 -0.165 6.130 117 2HG GLN 16 2HG GLN 16 3.850 -1.479 7.193 118 2HE2 GLN 16 2HE2 GLN 16 5.428 -3.040 6.336 119 1HE2 GLN 16 1HE2 GLN 16 6.384 -2.651 4.990 120 H LYS 17 H LYS 17 0.954 -3.892 7.579 121 HA LYS 17 HA LYS 17 0.866 -4.388 9.823 122 1HB LYS 17 1HB LYS 17 3.336 -5.807 8.926 123 2HB LYS 17 2HB LYS 17 3.038 -5.657 10.658 124 1HG LYS 17 1HG LYS 17 0.929 -6.659 8.737 125 2HG LYS 17 2HG LYS 17 2.072 -7.742 9.533 126 1HD LYS 17 1HD LYS 17 1.127 -7.442 11.608 127 2HD LYS 17 2HD LYS 17 0.635 -5.784 11.260 128 1HE LYS 17 1HE LYS 17 -1.412 -6.933 11.277 129 2HE LYS 17 2HE LYS 17 -1.011 -6.882 9.560 130 1HZ LYS 17 1HZ LYS 17 0.159 -9.106 10.064 131 2HZ LYS 17 2HZ LYS 17 -0.833 -9.142 11.439 132 3HZ LYS 17 3HZ LYS 17 -1.531 -9.086 9.891 133 H ARG 18 H ARG 18 2.362 -1.922 8.700 134 HA ARG 18 HA ARG 18 3.161 -0.890 11.269 135 1HB ARG 18 1HB ARG 18 5.190 -1.431 9.108 136 2HB ARG 18 2HB ARG 18 5.422 -0.127 10.272 137 1HG ARG 18 1HG ARG 18 4.955 -1.907 12.080 138 2HG ARG 18 2HG ARG 18 5.220 -3.091 10.799 139 1HD ARG 18 1HD ARG 18 7.390 -2.910 11.507 140 2HD ARG 18 2HD ARG 18 7.381 -1.547 10.393 141 HE ARG 18 HE ARG 18 7.675 -0.168 12.220 142 1HH1 ARG 18 1HH1 ARG 18 6.228 -3.170 13.291 143 2HH1 ARG 18 2HH1 ARG 18 6.278 -2.729 14.963 144 1HH2 ARG 18 1HH2 ARG 18 7.722 0.367 14.411 145 2HH2 ARG 18 2HH2 ARG 18 7.116 -0.745 15.594 146 HA PRO 19 HA PRO 19 1.688 2.630 8.985 147 1HB PRO 19 1HB PRO 19 2.113 4.555 10.874 148 2HB PRO 19 2HB PRO 19 0.795 3.375 10.945 149 1HG PRO 19 1HG PRO 19 3.259 3.522 12.559 150 2HG PRO 19 2HG PRO 19 1.719 2.731 12.922 151 1HD PRO 19 1HD PRO 19 4.127 1.484 12.007 152 2HD PRO 19 2HD PRO 19 2.539 0.718 12.247 153 H LEU 20 H LEU 20 2.629 3.737 7.393 154 HA LEU 20 HA LEU 20 5.423 4.632 7.730 155 1HB LEU 20 1HB LEU 20 4.171 4.767 5.056 156 2HB LEU 20 2HB LEU 20 5.784 4.277 5.517 157 HG LEU 20 HG LEU 20 3.267 2.603 5.565 158 1HD1 LEU 20 1HD1 LEU 20 4.911 3.102 3.492 159 2HD1 LEU 20 2HD1 LEU 20 5.810 1.786 4.247 160 3HD1 LEU 20 3HD1 LEU 20 4.144 1.532 3.731 161 1HD2 LEU 20 1HD2 LEU 20 5.949 2.216 6.863 162 2HD2 LEU 20 2HD2 LEU 20 4.345 1.815 7.479 163 3HD2 LEU 20 3HD2 LEU 20 5.087 0.813 6.231 164 HA PRO 21 HA PRO 21 4.032 8.828 7.522 165 1HB PRO 21 1HB PRO 21 6.326 10.056 6.682 166 2HB PRO 21 2HB PRO 21 6.100 9.405 8.315 167 1HG PRO 21 1HG PRO 21 7.743 8.359 6.093 168 2HG PRO 21 2HG PRO 21 7.910 8.104 7.836 169 1HD PRO 21 1HD PRO 21 6.782 6.293 5.939 170 2HD PRO 21 2HD PRO 21 6.797 6.118 7.709 171 H GLN 22 H GLN 22 2.969 10.123 6.101 172 HA GLN 22 HA GLN 22 2.929 9.476 3.309 173 1HB GLN 22 1HB GLN 22 0.957 10.342 4.596 174 2HB GLN 22 2HB GLN 22 1.753 11.914 4.656 175 1HG GLN 22 1HG GLN 22 1.614 10.685 1.965 176 2HG GLN 22 2HG GLN 22 0.060 11.144 2.658 177 2HE2 GLN 22 2HE2 GLN 22 0.041 12.859 0.912 178 1HE2 GLN 22 1HE2 GLN 22 0.896 14.301 1.178 179 H VAL 23 H VAL 23 5.044 11.362 5.155 180 HA VAL 23 HA VAL 23 5.569 13.618 3.652 181 HB VAL 23 HB VAL 23 6.583 13.134 5.843 182 1HG1 VAL 23 1HG1 VAL 23 7.114 10.667 4.911 183 2HG1 VAL 23 2HG1 VAL 23 8.681 11.419 4.612 184 3HG1 VAL 23 3HG1 VAL 23 8.014 11.388 6.245 185 1HG2 VAL 23 1HG2 VAL 23 7.660 14.625 3.940 186 2HG2 VAL 23 2HG2 VAL 23 8.546 14.304 5.430 187 3HG2 VAL 23 3HG2 VAL 23 8.912 13.382 3.972 188 H LEU 24 H LEU 24 6.236 10.295 2.841 189 HA LEU 24 HA LEU 24 7.636 11.251 0.420 190 1HB LEU 24 1HB LEU 24 9.223 9.569 0.495 191 2HB LEU 24 2HB LEU 24 9.119 10.119 2.146 192 HG LEU 24 HG LEU 24 9.284 7.797 2.335 193 1HD1 LEU 24 1HD1 LEU 24 7.293 8.769 3.555 194 2HD1 LEU 24 2HD1 LEU 24 6.284 8.168 2.239 195 3HD1 LEU 24 3HD1 LEU 24 7.197 7.038 3.237 196 1HD2 LEU 24 1HD2 LEU 24 8.616 7.671 -0.262 197 2HD2 LEU 24 2HD2 LEU 24 8.578 6.256 0.789 198 3HD2 LEU 24 3HD2 LEU 24 7.088 7.132 0.437 199 H LEU 25 H LEU 25 4.857 9.809 1.471 200 HA LEU 25 HA LEU 25 4.630 7.708 -0.475 201 1HB LEU 25 1HB LEU 25 3.303 8.245 1.792 202 2HB LEU 25 2HB LEU 25 2.209 8.994 0.655 203 HG LEU 25 HG LEU 25 1.830 6.889 -0.461 204 1HD1 LEU 25 1HD1 LEU 25 4.306 6.147 0.961 205 2HD1 LEU 25 2HD1 LEU 25 3.056 4.903 0.997 206 3HD1 LEU 25 3HD1 LEU 25 3.641 5.519 -0.547 207 1HD2 LEU 25 1HD2 LEU 25 1.620 7.055 2.510 208 2HD2 LEU 25 2HD2 LEU 25 0.344 6.919 1.300 209 3HD2 LEU 25 3HD2 LEU 25 1.276 5.495 1.762 210 H SER 26 H SER 26 2.668 7.798 -2.023 211 HA SER 26 HA SER 26 2.486 10.470 -3.270 212 1HB SER 26 1HB SER 26 4.073 8.560 -4.345 213 2HB SER 26 2HB SER 26 2.544 8.158 -5.120 214 HG SER 26 HG SER 26 4.068 9.889 -6.026 215 H SER 27 H SER 27 1.249 7.191 -3.966 216 HA SER 27 HA SER 27 -1.489 8.101 -3.468 217 1HB SER 27 1HB SER 27 -1.123 6.708 -6.056 218 2HB SER 27 2HB SER 27 -2.279 7.953 -5.601 219 HG SER 27 HG SER 27 -0.696 9.487 -5.839 220 H TRP 28 H TRP 28 -2.868 6.010 -4.542 221 HA TRP 28 HA TRP 28 -1.669 3.480 -3.772 222 1HB TRP 28 1HB TRP 28 -3.462 2.987 -2.093 223 2HB TRP 28 2HB TRP 28 -2.349 4.251 -1.574 224 HD1 TRP 28 HD1 TRP 28 -3.241 6.740 -1.483 225 HE1 TRP 28 HE1 TRP 28 -5.619 7.737 -1.489 226 HE3 TRP 28 HE3 TRP 28 -5.907 2.650 -2.992 227 HZ2 TRP 28 HZ2 TRP 28 -8.298 6.902 -2.078 228 HZ3 TRP 28 HZ3 TRP 28 -8.362 2.780 -3.267 229 HH2 TRP 28 HH2 TRP 28 -9.563 4.898 -2.806 230 H TYR 29 H TYR 29 -2.759 1.732 -4.659 231 HA TYR 29 HA TYR 29 -5.263 2.370 -6.097 232 1HB TYR 29 1HB TYR 29 -4.577 1.166 -8.048 233 2HB TYR 29 2HB TYR 29 -3.288 2.298 -7.659 234 HD1 TYR 29 HD1 TYR 29 -4.338 -1.263 -7.407 235 HD2 TYR 29 HD2 TYR 29 -1.085 1.528 -7.123 236 HE1 TYR 29 HE1 TYR 29 -2.730 -3.148 -7.324 237 HE2 TYR 29 HE2 TYR 29 0.522 -0.359 -7.038 238 HH TYR 29 HH TYR 29 0.014 -3.252 -8.022 239 HA PRO 30 HA PRO 30 -6.641 -1.327 -4.072 240 1HB PRO 30 1HB PRO 30 -9.011 -1.663 -5.386 241 2HB PRO 30 2HB PRO 30 -8.739 -0.422 -4.153 242 1HG PRO 30 1HG PRO 30 -8.983 -0.131 -7.084 243 2HG PRO 30 2HG PRO 30 -9.291 1.051 -5.804 244 1HD PRO 30 1HD PRO 30 -6.976 0.894 -7.460 245 2HD PRO 30 2HD PRO 30 -7.208 1.946 -6.044 246 H THR 31 H THR 31 -6.076 -3.405 -4.347 247 HA THR 31 HA THR 31 -5.544 -4.430 -7.018 248 HB THR 31 HB THR 31 -3.939 -4.882 -5.209 249 HG1 THR 31 HG1 THR 31 -3.620 -6.894 -5.841 250 1HG2 THR 31 1HG2 THR 31 -6.318 -6.250 -3.938 251 2HG2 THR 31 2HG2 THR 31 -4.654 -6.549 -3.434 252 3HG2 THR 31 3HG2 THR 31 -5.347 -4.935 -3.273 253 H SER 32 H SER 32 -6.119 -7.079 -6.854 254 HA SER 32 HA SER 32 -8.839 -7.217 -7.537 255 1HB SER 32 1HB SER 32 -6.700 -9.216 -6.986 256 2HB SER 32 2HB SER 32 -8.367 -9.783 -6.987 257 HG SER 32 HG SER 32 -8.570 -8.748 -9.060 258 H GLN 33 H GLN 33 -10.601 -8.251 -6.485 259 HA GLN 33 HA GLN 33 -10.508 -7.949 -3.555 260 1HB GLN 33 1HB GLN 33 -12.632 -7.666 -5.620 261 2HB GLN 33 2HB GLN 33 -13.123 -8.269 -4.037 262 1HG GLN 33 1HG GLN 33 -12.246 -6.327 -2.931 263 2HG GLN 33 2HG GLN 33 -11.444 -5.777 -4.401 264 2HE2 GLN 33 2HE2 GLN 33 -13.493 -4.290 -2.855 265 1HE2 GLN 33 1HE2 GLN 33 -14.793 -4.037 -3.918 266 H LEU 34 H LEU 34 -11.095 -10.255 -6.118 267 HA LEU 34 HA LEU 34 -12.092 -12.290 -4.296 268 1HB LEU 34 1HB LEU 34 -11.350 -12.465 -7.217 269 2HB LEU 34 2HB LEU 34 -12.118 -13.734 -6.292 270 HG LEU 34 HG LEU 34 -13.827 -12.704 -7.584 271 1HD1 LEU 34 1HD1 LEU 34 -14.114 -12.987 -4.970 272 2HD1 LEU 34 2HD1 LEU 34 -14.211 -11.226 -5.005 273 3HD1 LEU 34 3HD1 LEU 34 -15.367 -12.191 -5.922 274 1HD2 LEU 34 1HD2 LEU 34 -12.287 -10.539 -7.752 275 2HD2 LEU 34 2HD2 LEU 34 -14.031 -10.434 -7.995 276 3HD2 LEU 34 3HD2 LEU 34 -13.329 -9.984 -6.442 277 H CYS 35 H CYS 35 -9.856 -11.712 -3.165 278 HA CYS 35 HA CYS 35 -7.956 -13.818 -4.010 279 1HB CYS 35 1HB CYS 35 -7.173 -11.200 -2.707 280 2HB CYS 35 2HB CYS 35 -6.092 -12.452 -3.318 281 H SER 36 H SER 36 -6.376 -14.240 -2.074 282 HA SER 36 HA SER 36 -7.982 -15.220 0.084 283 1HB SER 36 1HB SER 36 -5.592 -15.626 1.084 284 2HB SER 36 2HB SER 36 -6.133 -16.575 -0.298 285 HG SER 36 HG SER 36 -4.151 -15.777 -0.833 286 H LYS 37 H LYS 37 -5.675 -12.577 -0.303 287 HA LYS 37 HA LYS 37 -6.823 -11.273 2.066 288 1HB LYS 37 1HB LYS 37 -3.943 -12.039 1.694 289 2HB LYS 37 2HB LYS 37 -4.355 -10.582 2.599 290 1HG LYS 37 1HG LYS 37 -5.894 -13.032 3.281 291 2HG LYS 37 2HG LYS 37 -4.195 -13.022 3.752 292 1HD LYS 37 1HD LYS 37 -5.745 -10.546 4.321 293 2HD LYS 37 2HD LYS 37 -6.126 -11.962 5.302 294 1HE LYS 37 1HE LYS 37 -3.914 -12.130 6.126 295 2HE LYS 37 2HE LYS 37 -3.273 -11.083 4.861 296 1HZ LYS 37 1HZ LYS 37 -4.801 -9.326 5.868 297 2HZ LYS 37 2HZ LYS 37 -4.880 -10.346 7.225 298 3HZ LYS 37 3HZ LYS 37 -3.386 -9.722 6.722 299 HA PRO 38 HA PRO 38 -6.070 -8.388 -1.477 300 1HB PRO 38 1HB PRO 38 -8.641 -7.512 -1.749 301 2HB PRO 38 2HB PRO 38 -8.000 -8.945 -2.564 302 1HG PRO 38 1HG PRO 38 -9.865 -8.767 -0.276 303 2HG PRO 38 2HG PRO 38 -9.657 -10.062 -1.465 304 1HD PRO 38 1HD PRO 38 -8.657 -10.019 1.202 305 2HD PRO 38 2HD PRO 38 -8.282 -11.216 -0.059 306 H GLY 39 H GLY 39 -6.195 -6.062 -1.548 307 1HA GLY 39 1HA GLY 39 -5.673 -4.727 0.831 308 2HA GLY 39 2HA GLY 39 -7.389 -4.489 0.505 309 H VAL 40 H VAL 40 -4.463 -3.100 0.135 310 HA VAL 40 HA VAL 40 -4.834 -2.058 -2.564 311 HB VAL 40 HB VAL 40 -4.846 -0.168 -0.197 312 1HG1 VAL 40 1HG1 VAL 40 -3.922 0.373 -2.640 313 2HG1 VAL 40 2HG1 VAL 40 -5.643 0.584 -2.965 314 3HG1 VAL 40 3HG1 VAL 40 -4.856 1.549 -1.718 315 1HG2 VAL 40 1HG2 VAL 40 -7.077 -1.117 -2.011 316 2HG2 VAL 40 2HG2 VAL 40 -6.975 -1.319 -0.262 317 3HG2 VAL 40 3HG2 VAL 40 -7.201 0.288 -0.952 318 H ILE 41 H ILE 41 -2.962 -1.383 -3.468 319 HA ILE 41 HA ILE 41 -0.554 -1.637 -1.810 320 HB ILE 41 HB ILE 41 -1.158 -2.082 -4.693 321 1HG1 ILE 41 1HG1 ILE 41 -0.912 -3.896 -3.017 322 2HG1 ILE 41 2HG1 ILE 41 0.275 -4.017 -4.312 323 1HG2 ILE 41 1HG2 ILE 41 1.594 -1.224 -3.734 324 2HG2 ILE 41 2HG2 ILE 41 1.259 -1.960 -5.301 325 3HG2 ILE 41 3HG2 ILE 41 0.594 -0.375 -4.908 326 1HD1 ILE 41 1HD1 ILE 41 1.432 -2.385 -2.301 327 2HD1 ILE 41 2HD1 ILE 41 0.719 -3.775 -1.488 328 3HD1 ILE 41 3HD1 ILE 41 1.905 -4.019 -2.766 329 H PHE 42 H PHE 42 0.328 0.142 -1.062 330 HA PHE 42 HA PHE 42 -0.377 2.736 -2.164 331 1HB PHE 42 1HB PHE 42 1.185 1.784 0.218 332 2HB PHE 42 2HB PHE 42 1.389 3.440 -0.345 333 HD1 PHE 42 HD1 PHE 42 -1.109 0.960 0.854 334 HD2 PHE 42 HD2 PHE 42 -0.284 5.092 0.026 335 HE1 PHE 42 HE1 PHE 42 -3.209 1.609 2.004 336 HE2 PHE 42 HE2 PHE 42 -2.384 5.740 1.171 337 HZ PHE 42 HZ PHE 42 -3.844 4.001 2.165 338 H LEU 43 H LEU 43 0.868 3.946 -3.473 339 HA LEU 43 HA LEU 43 3.471 2.818 -4.291 340 1HB LEU 43 1HB LEU 43 1.292 4.192 -5.691 341 2HB LEU 43 2HB LEU 43 2.875 4.820 -6.090 342 HG LEU 43 HG LEU 43 3.596 2.632 -6.855 343 1HD1 LEU 43 1HD1 LEU 43 2.199 1.380 -5.140 344 2HD1 LEU 43 2HD1 LEU 43 0.813 1.637 -6.197 345 3HD1 LEU 43 3HD1 LEU 43 2.188 0.689 -6.762 346 1HD2 LEU 43 1HD2 LEU 43 2.011 4.230 -8.224 347 2HD2 LEU 43 2HD2 LEU 43 2.366 2.617 -8.840 348 3HD2 LEU 43 3HD2 LEU 43 0.840 2.928 -8.014 349 H THR 44 H THR 44 4.966 3.688 -2.932 350 HA THR 44 HA THR 44 4.838 6.334 -1.900 351 HB THR 44 HB THR 44 7.249 5.952 -1.338 352 HG1 THR 44 HG1 THR 44 7.501 4.556 -3.283 353 1HG2 THR 44 1HG2 THR 44 5.028 4.090 -0.652 354 2HG2 THR 44 2HG2 THR 44 6.651 3.642 -0.126 355 3HG2 THR 44 3HG2 THR 44 5.949 5.175 0.390 356 H LYS 45 H LYS 45 6.571 7.990 -2.353 357 HA LYS 45 HA LYS 45 6.410 8.875 -5.015 358 1HB LYS 45 1HB LYS 45 8.047 9.650 -2.639 359 2HB LYS 45 2HB LYS 45 8.521 10.271 -4.221 360 1HG LYS 45 1HG LYS 45 6.651 11.579 -4.420 361 2HG LYS 45 2HG LYS 45 5.626 10.426 -3.567 362 1HD LYS 45 1HD LYS 45 5.749 12.003 -1.909 363 2HD LYS 45 2HD LYS 45 7.251 11.155 -1.538 364 1HE LYS 45 1HE LYS 45 8.581 12.796 -2.540 365 2HE LYS 45 2HE LYS 45 7.262 13.386 -3.551 366 1HZ LYS 45 1HZ LYS 45 7.292 13.633 -0.597 367 2HZ LYS 45 2HZ LYS 45 7.859 14.846 -1.638 368 3HZ LYS 45 3HZ LYS 45 6.226 14.382 -1.688 369 H ARG 46 H ARG 46 9.216 7.533 -3.276 370 HA ARG 46 HA ARG 46 10.248 6.545 -5.865 371 1HB ARG 46 1HB ARG 46 11.459 8.598 -5.048 372 2HB ARG 46 2HB ARG 46 11.967 7.650 -3.650 373 1HG ARG 46 1HG ARG 46 13.345 6.272 -4.908 374 2HG ARG 46 2HG ARG 46 12.412 6.516 -6.385 375 1HD ARG 46 1HD ARG 46 13.215 8.938 -6.330 376 2HD ARG 46 2HD ARG 46 14.348 8.436 -5.080 377 HE ARG 46 HE ARG 46 14.538 7.870 -7.905 378 1HH1 ARG 46 1HH1 ARG 46 15.421 6.782 -4.697 379 2HH1 ARG 46 2HH1 ARG 46 16.804 5.904 -5.253 380 1HH2 ARG 46 1HH2 ARG 46 16.349 6.712 -8.586 381 2HH2 ARG 46 2HH2 ARG 46 17.327 5.864 -7.434 382 H GLY 47 H GLY 47 9.118 5.613 -2.900 383 1HA GLY 47 1HA GLY 47 9.494 3.832 -1.491 384 2HA GLY 47 2HA GLY 47 11.105 3.678 -2.177 385 H ARG 48 H ARG 48 8.122 2.263 -1.909 386 HA ARG 48 HA ARG 48 8.123 0.880 -4.475 387 1HB ARG 48 1HB ARG 48 9.277 -0.279 -2.025 388 2HB ARG 48 2HB ARG 48 8.088 -1.311 -2.811 389 1HG ARG 48 1HG ARG 48 9.389 -0.713 -5.002 390 2HG ARG 48 2HG ARG 48 10.689 -0.261 -3.898 391 1HD ARG 48 1HD ARG 48 11.046 -2.424 -3.210 392 2HD ARG 48 2HD ARG 48 9.357 -2.878 -3.409 393 HE ARG 48 HE ARG 48 10.633 -2.356 -5.929 394 1HH1 ARG 48 1HH1 ARG 48 10.241 -4.749 -3.404 395 2HH1 ARG 48 2HH1 ARG 48 10.553 -6.081 -4.462 396 1HH2 ARG 48 1HH2 ARG 48 11.035 -4.122 -7.273 397 2HH2 ARG 48 2HH2 ARG 48 11.000 -5.731 -6.634 398 H GLN 49 H GLN 49 6.526 -1.226 -3.956 399 HA GLN 49 HA GLN 49 3.977 0.020 -3.384 400 1HB GLN 49 1HB GLN 49 4.849 -2.709 -4.314 401 2HB GLN 49 2HB GLN 49 3.183 -2.400 -3.832 402 1HG GLN 49 1HG GLN 49 3.024 -0.586 -5.483 403 2HG GLN 49 2HG GLN 49 4.704 -0.850 -5.947 404 2HE2 GLN 49 2HE2 GLN 49 2.266 -1.172 -7.653 405 1HE2 GLN 49 1HE2 GLN 49 2.289 -2.785 -8.181 406 H VAL 50 H VAL 50 2.480 -0.771 -1.779 407 HA VAL 50 HA VAL 50 3.657 -2.389 0.393 408 HB VAL 50 HB VAL 50 2.286 0.257 0.846 409 1HG1 VAL 50 1HG1 VAL 50 3.724 -1.653 2.716 410 2HG1 VAL 50 2HG1 VAL 50 3.090 -0.073 3.176 411 3HG1 VAL 50 3HG1 VAL 50 1.986 -1.353 2.676 412 1HG2 VAL 50 1HG2 VAL 50 5.215 -0.505 1.034 413 2HG2 VAL 50 2HG2 VAL 50 4.503 0.600 -0.142 414 3HG2 VAL 50 3HG2 VAL 50 4.537 1.033 1.567 415 H CYS 51 H CYS 51 2.267 -3.965 0.874 416 HA CYS 51 HA CYS 51 -0.513 -3.843 0.097 417 1HB CYS 51 1HB CYS 51 1.146 -5.854 1.620 418 2HB CYS 51 2HB CYS 51 -0.600 -6.028 1.454 419 H ALA 52 H ALA 52 -1.763 -2.432 1.215 420 HA ALA 52 HA ALA 52 -1.667 -2.609 4.172 421 1HB ALA 52 1HB ALA 52 -0.807 -0.429 2.978 422 2HB ALA 52 2HB ALA 52 -2.529 -0.089 2.809 423 3HB ALA 52 3HB ALA 52 -1.828 -0.314 4.412 424 H ASP 53 H ASP 53 -3.522 -3.037 5.155 425 HA ASP 53 HA ASP 53 -5.941 -3.334 3.546 426 1HB ASP 53 1HB ASP 53 -4.983 -4.320 6.172 427 2HB ASP 53 2HB ASP 53 -6.712 -3.988 6.073 428 H LYS 54 H LYS 54 -7.604 -1.951 3.551 429 HA LYS 54 HA LYS 54 -7.402 0.635 4.615 430 1HB LYS 54 1HB LYS 54 -8.912 -0.070 2.732 431 2HB LYS 54 2HB LYS 54 -9.982 -0.789 3.936 432 1HG LYS 54 1HG LYS 54 -10.005 1.493 5.082 433 2HG LYS 54 2HG LYS 54 -9.236 2.125 3.626 434 1HD LYS 54 1HD LYS 54 -11.171 0.987 2.344 435 2HD LYS 54 2HD LYS 54 -11.972 0.888 3.912 436 1HE LYS 54 1HE LYS 54 -11.000 3.407 2.536 437 2HE LYS 54 2HE LYS 54 -12.678 2.937 2.810 438 1HZ LYS 54 1HZ LYS 54 -12.106 2.920 5.241 439 2HZ LYS 54 2HZ LYS 54 -10.645 3.684 4.831 440 3HZ LYS 54 3HZ LYS 54 -12.122 4.452 4.505 441 H SER 55 H SER 55 -8.557 -2.324 6.046 442 HA SER 55 HA SER 55 -10.223 -1.349 8.066 443 1HB SER 55 1HB SER 55 -8.627 -3.793 7.640 444 2HB SER 55 2HB SER 55 -9.023 -3.435 9.317 445 HG SER 55 HG SER 55 -11.059 -3.824 8.908 446 H LYS 56 H LYS 56 -6.749 -1.261 7.758 447 HA LYS 56 HA LYS 56 -6.027 -0.856 10.449 448 1HB LYS 56 1HB LYS 56 -4.711 0.321 7.988 449 2HB LYS 56 2HB LYS 56 -3.972 0.130 9.577 450 1HG LYS 56 1HG LYS 56 -5.157 -2.312 8.358 451 2HG LYS 56 2HG LYS 56 -3.676 -1.699 7.623 452 1HD LYS 56 1HD LYS 56 -2.412 -2.061 9.534 453 2HD LYS 56 2HD LYS 56 -3.805 -1.913 10.608 454 1HE LYS 56 1HE LYS 56 -4.659 -4.084 9.529 455 2HE LYS 56 2HE LYS 56 -3.033 -4.260 8.869 456 1HZ LYS 56 1HZ LYS 56 -2.224 -3.965 11.212 457 2HZ LYS 56 2HZ LYS 56 -3.836 -4.145 11.717 458 3HZ LYS 56 3HZ LYS 56 -3.058 -5.413 10.904 459 H ASP 57 H ASP 57 -4.787 1.455 10.826 460 HA ASP 57 HA ASP 57 -6.971 3.441 10.700 461 1HB ASP 57 1HB ASP 57 -4.704 3.039 12.648 462 2HB ASP 57 2HB ASP 57 -5.624 4.543 12.578 463 H TRP 58 H TRP 58 -3.405 3.284 10.680 464 HA TRP 58 HA TRP 58 -3.003 5.893 9.707 465 1HB TRP 58 1HB TRP 58 -0.737 5.128 9.073 466 2HB TRP 58 2HB TRP 58 -1.171 4.654 10.712 467 HD1 TRP 58 HD1 TRP 58 -1.741 2.069 11.139 468 HE1 TRP 58 HE1 TRP 58 -1.033 -0.053 9.861 469 HE3 TRP 58 HE3 TRP 58 -0.230 4.156 6.736 470 HZ2 TRP 58 HZ2 TRP 58 0.035 -0.773 7.295 471 HZ3 TRP 58 HZ3 TRP 58 0.630 2.737 4.897 472 HH2 TRP 58 HH2 TRP 58 0.762 0.279 5.171 473 H VAL 59 H VAL 59 -3.781 2.908 8.076 474 HA VAL 59 HA VAL 59 -3.095 3.799 5.438 475 HB VAL 59 HB VAL 59 -5.054 1.637 6.246 476 1HG1 VAL 59 1HG1 VAL 59 -3.874 2.585 3.690 477 2HG1 VAL 59 2HG1 VAL 59 -3.910 0.836 3.920 478 3HG1 VAL 59 3HG1 VAL 59 -5.407 1.766 3.985 479 1HG2 VAL 59 1HG2 VAL 59 -2.816 1.314 7.261 480 2HG2 VAL 59 2HG2 VAL 59 -3.134 0.111 6.010 481 3HG2 VAL 59 3HG2 VAL 59 -2.079 1.482 5.667 482 H LYS 60 H LYS 60 -5.930 3.960 7.488 483 HA LYS 60 HA LYS 60 -7.813 4.727 5.511 484 1HB LYS 60 1HB LYS 60 -8.253 3.950 7.925 485 2HB LYS 60 2HB LYS 60 -7.916 5.618 8.389 486 1HG LYS 60 1HG LYS 60 -9.633 6.237 6.528 487 2HG LYS 60 2HG LYS 60 -10.150 4.558 6.669 488 1HD LYS 60 1HD LYS 60 -11.019 4.855 8.773 489 2HD LYS 60 2HD LYS 60 -9.816 6.068 9.212 490 1HE LYS 60 1HE LYS 60 -10.950 7.772 7.963 491 2HE LYS 60 2HE LYS 60 -12.011 6.592 7.196 492 1HZ LYS 60 1HZ LYS 60 -11.966 6.820 10.127 493 2HZ LYS 60 2HZ LYS 60 -12.850 7.948 9.215 494 3HZ LYS 60 3HZ LYS 60 -13.221 6.296 9.107 495 H LYS 61 H LYS 61 -5.758 6.603 7.722 496 HA LYS 61 HA LYS 61 -6.680 9.165 7.014 497 1HB LYS 61 1HB LYS 61 -3.896 8.363 7.899 498 2HB LYS 61 2HB LYS 61 -4.560 9.997 7.929 499 1HG LYS 61 1HG LYS 61 -6.443 9.033 9.386 500 2HG LYS 61 2HG LYS 61 -5.417 7.609 9.568 501 1HD LYS 61 1HD LYS 61 -3.654 8.910 10.567 502 2HD LYS 61 2HD LYS 61 -4.478 10.421 10.183 503 1HE LYS 61 1HE LYS 61 -5.910 8.382 11.849 504 2HE LYS 61 2HE LYS 61 -4.668 9.381 12.607 505 1HZ LYS 61 1HZ LYS 61 -5.869 11.326 11.564 506 2HZ LYS 61 2HZ LYS 61 -7.152 10.259 11.262 507 3HZ LYS 61 3HZ LYS 61 -6.657 10.559 12.860 508 H LEU 62 H LEU 62 -4.066 7.182 5.660 509 HA LEU 62 HA LEU 62 -3.078 9.076 3.817 510 1HB LEU 62 1HB LEU 62 -3.170 6.072 3.596 511 2HB LEU 62 2HB LEU 62 -2.227 7.127 2.569 512 HG LEU 62 HG LEU 62 -1.779 7.286 5.515 513 1HD1 LEU 62 1HD1 LEU 62 -1.278 4.918 3.784 514 2HD1 LEU 62 2HD1 LEU 62 0.039 5.410 4.848 515 3HD1 LEU 62 3HD1 LEU 62 -1.537 5.006 5.524 516 1HD2 LEU 62 1HD2 LEU 62 -0.349 7.830 2.960 517 2HD2 LEU 62 2HD2 LEU 62 -0.333 8.737 4.470 518 3HD2 LEU 62 3HD2 LEU 62 0.641 7.276 4.310 519 H MET 63 H MET 63 -5.587 6.607 3.556 520 HA MET 63 HA MET 63 -6.222 6.789 0.857 521 1HB MET 63 1HB MET 63 -7.907 6.214 3.283 522 2HB MET 63 2HB MET 63 -8.612 6.242 1.666 523 1HG MET 63 1HG MET 63 -6.441 4.702 1.181 524 2HG MET 63 2HG MET 63 -6.715 4.295 2.874 525 1HE MET 63 1HE MET 63 -7.067 3.640 -0.399 526 2HE MET 63 2HE MET 63 -7.248 2.006 0.231 527 3HE MET 63 3HE MET 63 -8.534 2.728 -0.748 528 H GLN 64 H GLN 64 -7.188 8.868 3.527 529 HA GLN 64 HA GLN 64 -8.936 10.483 1.859 530 1HB GLN 64 1HB GLN 64 -7.979 10.750 4.714 531 2HB GLN 64 2HB GLN 64 -9.001 11.954 3.928 532 1HG GLN 64 1HG GLN 64 -10.727 10.282 3.513 533 2HG GLN 64 2HG GLN 64 -9.695 9.013 4.172 534 2HE2 GLN 64 2HE2 GLN 64 -9.189 9.139 6.531 535 1HE2 GLN 64 1HE2 GLN 64 -10.243 9.967 7.571 536 H GLN 65 H GLN 65 -5.649 10.560 3.066 537 HA GLN 65 HA GLN 65 -5.116 13.294 2.431 538 1HB GLN 65 1HB GLN 65 -3.475 10.910 3.170 539 2HB GLN 65 2HB GLN 65 -2.665 12.303 2.457 540 1HG GLN 65 1HG GLN 65 -4.255 13.551 4.275 541 2HG GLN 65 2HG GLN 65 -3.963 12.024 5.107 542 2HE2 GLN 65 2HE2 GLN 65 -2.533 15.057 4.202 543 1HE2 GLN 65 1HE2 GLN 65 -0.983 14.745 4.819 544 H LEU 66 H LEU 66 -4.492 10.215 0.789 545 HA LEU 66 HA LEU 66 -3.580 11.667 -1.601 546 1HB LEU 66 1HB LEU 66 -3.668 8.686 -1.316 547 2HB LEU 66 2HB LEU 66 -2.649 9.658 -2.357 548 HG LEU 66 HG LEU 66 -2.398 9.360 0.645 549 1HD1 LEU 66 1HD1 LEU 66 -0.669 8.474 -1.685 550 2HD1 LEU 66 2HD1 LEU 66 -0.208 8.344 0.012 551 3HD1 LEU 66 3HD1 LEU 66 -1.582 7.424 -0.601 552 1HD2 LEU 66 1HD2 LEU 66 -0.883 11.062 -1.357 553 2HD2 LEU 66 2HD2 LEU 66 -1.790 11.623 0.047 554 3HD2 LEU 66 3HD2 LEU 66 -0.294 10.715 0.269 555 HA PRO 67 HA PRO 67 -7.484 10.892 -3.525 556 1HB PRO 67 1HB PRO 67 -6.781 11.244 -6.148 557 2HB PRO 67 2HB PRO 67 -6.977 12.569 -4.990 558 1HG PRO 67 1HG PRO 67 -4.496 11.425 -6.126 559 2HG PRO 67 2HG PRO 67 -4.801 13.044 -5.481 560 1HD PRO 67 1HD PRO 67 -3.463 10.917 -4.151 561 2HD PRO 67 2HD PRO 67 -3.986 12.458 -3.431 562 H VAL 68 H VAL 68 -5.358 9.636 -6.076 563 HA VAL 68 HA VAL 68 -5.309 6.944 -5.621 564 HB VAL 68 HB VAL 68 -8.039 7.815 -6.310 565 1HG1 VAL 68 1HG1 VAL 68 -6.815 5.569 -7.938 566 2HG1 VAL 68 2HG1 VAL 68 -8.547 5.846 -7.764 567 3HG1 VAL 68 3HG1 VAL 68 -7.538 7.052 -8.563 568 1HG2 VAL 68 1HG2 VAL 68 -6.794 6.066 -4.560 569 2HG2 VAL 68 2HG2 VAL 68 -8.530 6.177 -4.840 570 3HG2 VAL 68 3HG2 VAL 68 -7.570 4.983 -5.713 571 H THR 69 H THR 69 -4.697 5.714 -7.513 572 HA THR 69 HA THR 69 -3.148 7.247 -9.345 573 HB THR 69 HB THR 69 -3.131 4.861 -10.532 574 HG1 THR 69 HG1 THR 69 -4.718 3.912 -9.330 575 1HG2 THR 69 1HG2 THR 69 -1.814 5.739 -7.966 576 2HG2 THR 69 2HG2 THR 69 -1.417 4.192 -8.713 577 3HG2 THR 69 3HG2 THR 69 -1.132 5.694 -9.592 578 H ALA 70 H ALA 70 -3.317 6.976 -11.737 579 HA ALA 70 HA ALA 70 -4.455 7.328 -13.705 580 1HB ALA 70 1HB ALA 70 -6.219 5.895 -14.214 581 2HB ALA 70 2HB ALA 70 -5.399 5.015 -12.925 582 3HB ALA 70 3HB ALA 70 -6.860 5.937 -12.572 583 H ARG 71 H ARG 71 -4.957 9.397 -14.005 584 HA ARG 71 HA ARG 71 -6.530 10.983 -12.288 585 1HB ARG 71 1HB ARG 71 -6.595 12.602 -14.175 586 2HB ARG 71 2HB ARG 71 -4.967 12.005 -13.848 587 1HG ARG 71 1HG ARG 71 -5.797 10.148 -15.647 588 2HG ARG 71 2HG ARG 71 -6.713 11.548 -16.204 589 1HD ARG 71 1HD ARG 71 -4.775 11.970 -17.349 590 2HD ARG 71 2HD ARG 71 -4.330 12.732 -15.826 591 HE ARG 71 HE ARG 71 -3.524 10.145 -15.496 592 1HH1 ARG 71 1HH1 ARG 71 -2.969 12.556 -17.972 593 2HH1 ARG 71 2HH1 ARG 71 -1.409 11.935 -18.388 594 1HH2 ARG 71 1HH2 ARG 71 -1.486 9.367 -16.069 595 2HH2 ARG 71 2HH2 ARG 71 -0.575 10.145 -17.321 No H/Q in entry = 595 Start of MODEL 3 1 H1 LEU 1 H1 LEU 1 6.113 -21.895 -7.131 2 H2 LEU 1 H2 LEU 1 6.863 -21.335 -5.712 3 H3 LEU 1 H3 LEU 1 5.666 -20.398 -6.472 4 HA LEU 1 HA LEU 1 7.036 -19.741 -8.180 5 1HB LEU 1 1HB LEU 1 8.558 -20.061 -5.604 6 2HB LEU 1 2HB LEU 1 9.354 -19.376 -7.021 7 HG LEU 1 HG LEU 1 7.302 -17.814 -7.181 8 1HD1 LEU 1 1HD1 LEU 1 6.871 -19.213 -4.586 9 2HD1 LEU 1 2HD1 LEU 1 6.563 -17.476 -4.615 10 3HD1 LEU 1 3HD1 LEU 1 5.690 -18.545 -5.712 11 1HD2 LEU 1 1HD2 LEU 1 9.305 -17.640 -4.909 12 2HD2 LEU 1 2HD2 LEU 1 9.480 -16.970 -6.531 13 3HD2 LEU 1 3HD2 LEU 1 8.286 -16.296 -5.422 14 H GLY 2 H GLY 2 7.674 -20.805 -9.937 15 1HA GLY 2 1HA GLY 2 8.564 -23.387 -10.184 16 2HA GLY 2 2HA GLY 2 10.032 -22.452 -9.915 17 H ALA 3 H ALA 3 8.144 -23.737 -12.252 18 HA ALA 3 HA ALA 3 9.143 -21.825 -14.262 19 1HB ALA 3 1HB ALA 3 8.537 -24.753 -14.292 20 2HB ALA 3 2HB ALA 3 9.929 -23.889 -14.944 21 3HB ALA 3 3HB ALA 3 8.386 -23.844 -15.796 22 H SER 4 H SER 4 6.766 -21.314 -12.673 23 HA SER 4 HA SER 4 4.482 -21.815 -14.387 24 1HB SER 4 1HB SER 4 3.387 -20.177 -12.711 25 2HB SER 4 2HB SER 4 3.902 -21.751 -12.112 26 HG SER 4 HG SER 4 5.273 -19.271 -11.915 27 H TRP 5 H TRP 5 4.060 -20.663 -16.138 28 HA TRP 5 HA TRP 5 5.093 -17.900 -16.311 29 1HB TRP 5 1HB TRP 5 5.728 -19.695 -18.059 30 2HB TRP 5 2HB TRP 5 4.075 -19.507 -18.644 31 HD1 TRP 5 HD1 TRP 5 7.390 -17.661 -18.349 32 HE1 TRP 5 HE1 TRP 5 7.304 -15.546 -19.821 33 HE3 TRP 5 HE3 TRP 5 2.463 -17.719 -19.691 34 HZ2 TRP 5 HZ2 TRP 5 5.397 -14.073 -21.364 35 HZ3 TRP 5 HZ3 TRP 5 1.539 -15.951 -21.160 36 HH2 TRP 5 HH2 TRP 5 2.999 -14.129 -21.998 37 H HIS 6 H HIS 6 2.239 -19.917 -16.586 38 HA HIS 6 HA HIS 6 0.577 -17.566 -17.201 39 1HB HIS 6 1HB HIS 6 -0.077 -20.523 -17.172 40 2HB HIS 6 2HB HIS 6 -1.238 -19.244 -17.531 41 HD1 HIS 6 HD1 HIS 6 -1.266 -18.342 -19.883 42 HD2 HIS 6 HD2 HIS 6 2.136 -20.626 -19.121 43 HE1 HIS 6 HE1 HIS 6 -0.062 -18.593 -22.097 44 H ARG 7 H ARG 7 0.774 -16.609 -15.114 45 HA ARG 7 HA ARG 7 -1.263 -17.491 -13.278 46 1HB ARG 7 1HB ARG 7 1.031 -18.764 -12.793 47 2HB ARG 7 2HB ARG 7 1.397 -17.256 -11.954 48 1HG ARG 7 1HG ARG 7 -1.105 -17.654 -11.040 49 2HG ARG 7 2HG ARG 7 -0.636 -19.332 -11.316 50 1HD ARG 7 1HD ARG 7 0.873 -17.305 -9.646 51 2HD ARG 7 2HD ARG 7 -0.051 -18.672 -9.034 52 HE ARG 7 HE ARG 7 1.765 -19.835 -10.707 53 1HH1 ARG 7 1HH1 ARG 7 2.026 -17.588 -8.036 54 2HH1 ARG 7 2HH1 ARG 7 3.596 -18.144 -7.574 55 1HH2 ARG 7 1HH2 ARG 7 3.813 -20.530 -10.070 56 2HH2 ARG 7 2HH2 ARG 7 4.601 -19.795 -8.713 57 HA PRO 8 HA PRO 8 -0.424 -12.973 -13.196 58 1HB PRO 8 1HB PRO 8 -3.013 -12.188 -13.583 59 2HB PRO 8 2HB PRO 8 -1.895 -12.572 -14.901 60 1HG PRO 8 1HG PRO 8 -4.192 -14.126 -13.878 61 2HG PRO 8 2HG PRO 8 -3.440 -14.146 -15.480 62 1HD PRO 8 1HD PRO 8 -3.068 -16.056 -13.399 63 2HD PRO 8 2HD PRO 8 -2.163 -15.953 -14.928 64 H ASP 9 H ASP 9 -0.351 -14.300 -10.857 65 HA ASP 9 HA ASP 9 -2.500 -13.224 -9.150 66 1HB ASP 9 1HB ASP 9 -1.550 -15.708 -9.121 67 2HB ASP 9 2HB ASP 9 -0.342 -14.977 -8.063 68 H LYS 10 H LYS 10 -2.151 -11.611 -7.752 69 HA LYS 10 HA LYS 10 0.480 -10.974 -6.746 70 1HB LYS 10 1HB LYS 10 0.493 -8.658 -7.657 71 2HB LYS 10 2HB LYS 10 0.667 -9.893 -8.902 72 1HG LYS 10 1HG LYS 10 -1.478 -9.560 -9.736 73 2HG LYS 10 2HG LYS 10 -2.081 -8.920 -8.206 74 1HD LYS 10 1HD LYS 10 0.063 -7.401 -9.643 75 2HD LYS 10 2HD LYS 10 -1.593 -7.295 -10.241 76 1HE LYS 10 1HE LYS 10 -1.705 -5.598 -8.699 77 2HE LYS 10 2HE LYS 10 -2.067 -6.940 -7.613 78 1HZ LYS 10 1HZ LYS 10 0.731 -6.189 -8.111 79 2HZ LYS 10 2HZ LYS 10 -0.197 -5.273 -7.022 80 3HZ LYS 10 3HZ LYS 10 0.044 -6.933 -6.750 81 H CYS 11 H CYS 11 -2.155 -11.647 -5.729 82 HA CYS 11 HA CYS 11 -3.546 -9.404 -4.730 83 1HB CYS 11 1HB CYS 11 -3.294 -12.118 -3.409 84 2HB CYS 11 2HB CYS 11 -4.579 -10.937 -3.166 85 H CYS 12 H CYS 12 -3.734 -9.491 -2.074 86 HA CYS 12 HA CYS 12 -1.053 -8.635 -1.195 87 1HB CYS 12 1HB CYS 12 -3.840 -7.898 -0.339 88 2HB CYS 12 2HB CYS 12 -2.467 -7.615 0.731 89 H LEU 13 H LEU 13 -0.415 -10.871 -0.855 90 HA LEU 13 HA LEU 13 -1.721 -12.611 0.951 91 1HB LEU 13 1HB LEU 13 0.089 -13.237 -0.675 92 2HB LEU 13 2HB LEU 13 1.240 -12.470 0.398 93 HG LEU 13 HG LEU 13 0.226 -14.133 2.175 94 1HD1 LEU 13 1HD1 LEU 13 -1.501 -14.857 0.386 95 2HD1 LEU 13 2HD1 LEU 13 -0.166 -15.749 -0.343 96 3HD1 LEU 13 3HD1 LEU 13 -0.689 -16.129 1.298 97 1HD2 LEU 13 1HD2 LEU 13 2.561 -14.018 1.011 98 2HD2 LEU 13 2HD2 LEU 13 2.078 -15.531 1.779 99 3HD2 LEU 13 3HD2 LEU 13 1.956 -15.352 0.028 100 H GLY 14 H GLY 14 0.600 -10.018 1.381 101 1HA GLY 14 1HA GLY 14 1.827 -10.051 3.648 102 2HA GLY 14 2HA GLY 14 0.197 -10.205 4.300 103 H TYR 15 H TYR 15 0.429 -8.215 5.414 104 HA TYR 15 HA TYR 15 0.331 -5.830 3.659 105 1HB TYR 15 1HB TYR 15 -1.174 -6.351 6.234 106 2HB TYR 15 2HB TYR 15 -1.157 -4.813 5.374 107 HD1 TYR 15 HD1 TYR 15 -1.762 -8.462 4.700 108 HD2 TYR 15 HD2 TYR 15 -2.836 -4.400 3.824 109 HE1 TYR 15 HE1 TYR 15 -3.570 -9.261 3.205 110 HE2 TYR 15 HE2 TYR 15 -4.642 -5.195 2.328 111 HH TYR 15 HH TYR 15 -4.879 -8.443 1.306 112 H GLN 16 H GLN 16 0.826 -3.781 4.912 113 HA GLN 16 HA GLN 16 3.439 -4.004 6.032 114 1HB GLN 16 1HB GLN 16 2.300 -1.981 4.797 115 2HB GLN 16 2HB GLN 16 1.750 -1.557 6.413 116 1HG GLN 16 1HG GLN 16 3.869 -0.436 5.978 117 2HG GLN 16 2HG GLN 16 4.109 -1.671 7.213 118 2HE2 GLN 16 2HE2 GLN 16 6.459 -1.351 6.302 119 1HE2 GLN 16 1HE2 GLN 16 6.901 -2.358 5.009 120 H LYS 17 H LYS 17 4.058 -4.288 8.076 121 HA LYS 17 HA LYS 17 1.981 -4.298 10.162 122 1HB LYS 17 1HB LYS 17 3.699 -5.510 11.515 123 2HB LYS 17 2HB LYS 17 3.262 -6.353 10.029 124 1HG LYS 17 1HG LYS 17 5.309 -5.991 9.057 125 2HG LYS 17 2HG LYS 17 5.523 -4.428 9.848 126 1HD LYS 17 1HD LYS 17 6.440 -5.356 11.743 127 2HD LYS 17 2HD LYS 17 5.499 -6.842 11.598 128 1HE LYS 17 1HE LYS 17 7.620 -6.200 9.563 129 2HE LYS 17 2HE LYS 17 8.069 -6.921 11.109 130 1HZ LYS 17 1HZ LYS 17 6.172 -8.563 10.553 131 2HZ LYS 17 2HZ LYS 17 6.402 -8.037 8.957 132 3HZ LYS 17 3HZ LYS 17 7.686 -8.757 9.804 133 H ARG 18 H ARG 18 3.209 -1.846 9.060 134 HA ARG 18 HA ARG 18 3.809 -0.570 11.577 135 1HB ARG 18 1HB ARG 18 5.934 -0.961 9.480 136 2HB ARG 18 2HB ARG 18 5.962 0.442 10.549 137 1HG ARG 18 1HG ARG 18 5.636 -1.334 12.450 138 2HG ARG 18 2HG ARG 18 6.249 -2.466 11.245 139 1HD ARG 18 1HD ARG 18 8.296 -1.241 11.009 140 2HD ARG 18 2HD ARG 18 7.667 0.112 11.945 141 HE ARG 18 HE ARG 18 8.844 -2.290 12.993 142 1HH1 ARG 18 1HH1 ARG 18 6.471 0.205 13.627 143 2HH1 ARG 18 2HH1 ARG 18 6.561 0.013 15.343 144 1HH2 ARG 18 1HH2 ARG 18 8.930 -2.507 15.237 145 2HH2 ARG 18 2HH2 ARG 18 7.941 -1.508 16.249 146 HA PRO 19 HA PRO 19 1.924 2.614 9.127 147 1HB PRO 19 1HB PRO 19 2.169 4.697 10.879 148 2HB PRO 19 2HB PRO 19 0.997 3.384 11.065 149 1HG PRO 19 1HG PRO 19 3.465 3.913 12.587 150 2HG PRO 19 2HG PRO 19 2.034 2.981 13.048 151 1HD PRO 19 1HD PRO 19 4.545 1.951 12.143 152 2HD PRO 19 2HD PRO 19 3.059 1.032 12.475 153 H LEU 20 H LEU 20 2.729 3.659 7.423 154 HA LEU 20 HA LEU 20 5.407 4.877 7.610 155 1HB LEU 20 1HB LEU 20 4.066 4.769 4.984 156 2HB LEU 20 2HB LEU 20 5.725 4.425 5.413 157 HG LEU 20 HG LEU 20 3.350 2.567 5.652 158 1HD1 LEU 20 1HD1 LEU 20 4.679 3.061 3.431 159 2HD1 LEU 20 2HD1 LEU 20 5.907 2.036 4.172 160 3HD1 LEU 20 3HD1 LEU 20 4.292 1.398 3.869 161 1HD2 LEU 20 1HD2 LEU 20 6.141 2.429 6.764 162 2HD2 LEU 20 2HD2 LEU 20 4.619 1.976 7.529 163 3HD2 LEU 20 3HD2 LEU 20 5.317 0.948 6.279 164 HA PRO 21 HA PRO 21 3.565 8.895 7.298 165 1HB PRO 21 1HB PRO 21 5.720 10.329 6.408 166 2HB PRO 21 2HB PRO 21 5.559 9.720 8.065 167 1HG PRO 21 1HG PRO 21 7.301 8.760 5.877 168 2HG PRO 21 2HG PRO 21 7.505 8.609 7.629 169 1HD PRO 21 1HD PRO 21 6.583 6.591 5.841 170 2HD PRO 21 2HD PRO 21 6.593 6.518 7.618 171 H GLN 22 H GLN 22 2.501 10.180 5.826 172 HA GLN 22 HA GLN 22 2.392 9.324 3.093 173 1HB GLN 22 1HB GLN 22 0.470 10.307 4.428 174 2HB GLN 22 2HB GLN 22 1.240 11.879 4.216 175 1HG GLN 22 1HG GLN 22 0.958 10.276 1.741 176 2HG GLN 22 2HG GLN 22 -0.558 10.823 2.455 177 2HE2 GLN 22 2HE2 GLN 22 1.524 11.750 0.135 178 1HE2 GLN 22 1HE2 GLN 22 1.439 13.438 0.291 179 H VAL 23 H VAL 23 4.557 11.349 4.718 180 HA VAL 23 HA VAL 23 4.988 13.475 3.001 181 HB VAL 23 HB VAL 23 6.068 13.218 5.207 182 1HG1 VAL 23 1HG1 VAL 23 6.612 10.725 4.700 183 2HG1 VAL 23 2HG1 VAL 23 8.058 11.361 3.918 184 3HG1 VAL 23 3HG1 VAL 23 7.776 11.662 5.633 185 1HG2 VAL 23 1HG2 VAL 23 7.966 13.535 2.868 186 2HG2 VAL 23 2HG2 VAL 23 7.030 14.814 3.642 187 3HG2 VAL 23 3HG2 VAL 23 8.330 14.014 4.525 188 H LEU 24 H LEU 24 6.299 10.200 2.827 189 HA LEU 24 HA LEU 24 7.624 10.822 0.294 190 1HB LEU 24 1HB LEU 24 8.995 9.087 0.718 191 2HB LEU 24 2HB LEU 24 8.411 9.258 2.353 192 HG LEU 24 HG LEU 24 7.326 7.285 0.320 193 1HD1 LEU 24 1HD1 LEU 24 9.674 6.853 1.056 194 2HD1 LEU 24 2HD1 LEU 24 9.100 6.801 2.723 195 3HD1 LEU 24 3HD1 LEU 24 8.542 5.598 1.560 196 1HD2 LEU 24 1HD2 LEU 24 6.330 8.237 2.862 197 2HD2 LEU 24 2HD2 LEU 24 5.607 7.065 1.764 198 3HD2 LEU 24 3HD2 LEU 24 6.746 6.531 2.996 199 H LEU 25 H LEU 25 4.893 9.091 1.589 200 HA LEU 25 HA LEU 25 4.284 7.477 -0.614 201 1HB LEU 25 1HB LEU 25 3.220 7.739 1.829 202 2HB LEU 25 2HB LEU 25 2.033 8.628 0.908 203 HG LEU 25 HG LEU 25 1.497 6.687 -0.413 204 1HD1 LEU 25 1HD1 LEU 25 4.068 5.719 0.701 205 2HD1 LEU 25 2HD1 LEU 25 2.795 4.506 0.567 206 3HD1 LEU 25 3HD1 LEU 25 3.325 5.391 -0.863 207 1HD2 LEU 25 1HD2 LEU 25 1.573 6.495 2.557 208 2HD2 LEU 25 2HD2 LEU 25 0.191 6.449 1.463 209 3HD2 LEU 25 3HD2 LEU 25 1.188 5.012 1.683 210 H SER 26 H SER 26 2.930 7.694 -2.349 211 HA SER 26 HA SER 26 2.329 10.494 -3.105 212 1HB SER 26 1HB SER 26 2.728 9.959 -5.367 213 2HB SER 26 2HB SER 26 4.031 9.175 -4.485 214 HG SER 26 HG SER 26 2.997 7.812 -6.045 215 H SER 27 H SER 27 1.176 7.181 -3.830 216 HA SER 27 HA SER 27 -1.575 8.032 -3.323 217 1HB SER 27 1HB SER 27 -2.420 7.529 -5.496 218 2HB SER 27 2HB SER 27 -1.041 8.594 -5.743 219 HG SER 27 HG SER 27 0.049 6.991 -6.610 220 H TRP 28 H TRP 28 -2.934 5.946 -4.400 221 HA TRP 28 HA TRP 28 -1.668 3.434 -3.613 222 1HB TRP 28 1HB TRP 28 -3.651 2.885 -2.122 223 2HB TRP 28 2HB TRP 28 -2.518 4.063 -1.468 224 HD1 TRP 28 HD1 TRP 28 -3.263 6.639 -1.484 225 HE1 TRP 28 HE1 TRP 28 -5.594 7.736 -1.508 226 HE3 TRP 28 HE3 TRP 28 -6.099 2.647 -2.957 227 HZ2 TRP 28 HZ2 TRP 28 -8.303 7.011 -2.092 228 HZ3 TRP 28 HZ3 TRP 28 -8.546 2.883 -3.238 229 HH2 TRP 28 HH2 TRP 28 -9.652 5.058 -2.804 230 H TYR 29 H TYR 29 -2.481 1.723 -4.726 231 HA TYR 29 HA TYR 29 -4.922 2.227 -6.319 232 1HB TYR 29 1HB TYR 29 -4.002 0.971 -8.161 233 2HB TYR 29 2HB TYR 29 -2.854 2.227 -7.716 234 HD1 TYR 29 HD1 TYR 29 -0.926 1.546 -6.086 235 HD2 TYR 29 HD2 TYR 29 -3.334 -1.270 -8.263 236 HE1 TYR 29 HE1 TYR 29 0.826 -0.180 -5.799 237 HE2 TYR 29 HE2 TYR 29 -1.579 -2.996 -7.970 238 HH TYR 29 HH TYR 29 0.412 -3.279 -6.032 239 HA PRO 30 HA PRO 30 -6.352 -1.500 -4.396 240 1HB PRO 30 1HB PRO 30 -8.544 -1.967 -5.956 241 2HB PRO 30 2HB PRO 30 -8.465 -0.694 -4.728 242 1HG PRO 30 1HG PRO 30 -8.394 -0.466 -7.675 243 2HG PRO 30 2HG PRO 30 -8.893 0.723 -6.464 244 1HD PRO 30 1HD PRO 30 -6.404 0.643 -7.850 245 2HD PRO 30 2HD PRO 30 -6.837 1.708 -6.492 246 H THR 31 H THR 31 -6.074 -3.676 -4.572 247 HA THR 31 HA THR 31 -5.038 -4.705 -7.120 248 HB THR 31 HB THR 31 -3.669 -5.143 -5.154 249 HG1 THR 31 HG1 THR 31 -3.378 -7.225 -5.580 250 1HG2 THR 31 1HG2 THR 31 -6.295 -5.946 -4.031 251 2HG2 THR 31 2HG2 THR 31 -4.907 -6.915 -3.540 252 3HG2 THR 31 3HG2 THR 31 -4.919 -5.178 -3.241 253 H SER 32 H SER 32 -5.611 -7.254 -7.221 254 HA SER 32 HA SER 32 -8.269 -7.415 -8.100 255 1HB SER 32 1HB SER 32 -6.952 -9.916 -7.176 256 2HB SER 32 2HB SER 32 -7.796 -9.578 -8.684 257 HG SER 32 HG SER 32 -5.449 -9.781 -8.825 258 H GLN 33 H GLN 33 -10.154 -7.977 -7.174 259 HA GLN 33 HA GLN 33 -10.246 -8.116 -4.269 260 1HB GLN 33 1HB GLN 33 -11.855 -6.789 -5.804 261 2HB GLN 33 2HB GLN 33 -12.634 -8.348 -6.080 262 1HG GLN 33 1HG GLN 33 -13.266 -8.578 -3.835 263 2HG GLN 33 2HG GLN 33 -12.043 -7.437 -3.275 264 2HE2 GLN 33 2HE2 GLN 33 -13.751 -6.173 -2.178 265 1HE2 GLN 33 1HE2 GLN 33 -14.788 -5.175 -3.078 266 H LEU 34 H LEU 34 -10.347 -10.319 -6.931 267 HA LEU 34 HA LEU 34 -11.759 -12.395 -5.482 268 1HB LEU 34 1HB LEU 34 -10.258 -12.489 -8.099 269 2HB LEU 34 2HB LEU 34 -11.212 -13.798 -7.440 270 HG LEU 34 HG LEU 34 -12.544 -12.760 -9.114 271 1HD1 LEU 34 1HD1 LEU 34 -13.523 -13.137 -6.700 272 2HD1 LEU 34 2HD1 LEU 34 -13.611 -11.376 -6.673 273 3HD1 LEU 34 3HD1 LEU 34 -14.482 -12.282 -7.909 274 1HD2 LEU 34 1HD2 LEU 34 -11.077 -10.582 -8.887 275 2HD2 LEU 34 2HD2 LEU 34 -12.735 -10.465 -9.475 276 3HD2 LEU 34 3HD2 LEU 34 -12.364 -10.068 -7.797 277 H CYS 35 H CYS 35 -9.941 -11.864 -3.765 278 HA CYS 35 HA CYS 35 -7.897 -13.978 -4.074 279 1HB CYS 35 1HB CYS 35 -7.426 -11.312 -2.716 280 2HB CYS 35 2HB CYS 35 -6.247 -12.603 -2.946 281 H SER 36 H SER 36 -7.005 -14.674 -1.941 282 HA SER 36 HA SER 36 -9.079 -15.453 -0.193 283 1HB SER 36 1HB SER 36 -6.115 -15.346 0.408 284 2HB SER 36 2HB SER 36 -7.322 -16.307 1.257 285 HG SER 36 HG SER 36 -5.996 -16.842 -1.026 286 H LYS 37 H LYS 37 -6.855 -12.746 -0.173 287 HA LYS 37 HA LYS 37 -8.490 -11.320 1.724 288 1HB LYS 37 1HB LYS 37 -6.640 -10.954 3.365 289 2HB LYS 37 2HB LYS 37 -7.223 -12.618 3.334 290 1HG LYS 37 1HG LYS 37 -5.305 -12.882 1.505 291 2HG LYS 37 2HG LYS 37 -4.624 -11.500 2.364 292 1HD LYS 37 1HD LYS 37 -5.041 -12.845 4.516 293 2HD LYS 37 2HD LYS 37 -5.279 -14.237 3.459 294 1HE LYS 37 1HE LYS 37 -2.985 -13.349 2.408 295 2HE LYS 37 2HE LYS 37 -2.788 -12.695 4.034 296 1HZ LYS 37 1HZ LYS 37 -3.636 -15.490 3.677 297 2HZ LYS 37 2HZ LYS 37 -1.997 -15.087 3.511 298 3HZ LYS 37 3HZ LYS 37 -2.804 -14.775 4.974 299 HA PRO 38 HA PRO 38 -6.026 -8.714 -1.183 300 1HB PRO 38 1HB PRO 38 -8.145 -7.460 -2.365 301 2HB PRO 38 2HB PRO 38 -7.485 -9.007 -2.916 302 1HG PRO 38 1HG PRO 38 -10.007 -8.449 -1.481 303 2HG PRO 38 2HG PRO 38 -9.581 -9.814 -2.523 304 1HD PRO 38 1HD PRO 38 -9.639 -9.791 0.330 305 2HD PRO 38 2HD PRO 38 -9.038 -11.097 -0.718 306 H GLY 39 H GLY 39 -6.426 -6.209 -1.641 307 1HA GLY 39 1HA GLY 39 -6.117 -4.821 0.768 308 2HA GLY 39 2HA GLY 39 -7.795 -4.629 0.267 309 H VAL 40 H VAL 40 -4.959 -3.096 0.217 310 HA VAL 40 HA VAL 40 -5.076 -2.138 -2.551 311 HB VAL 40 HB VAL 40 -5.283 -0.224 -0.214 312 1HG1 VAL 40 1HG1 VAL 40 -4.228 0.236 -2.671 313 2HG1 VAL 40 2HG1 VAL 40 -5.927 0.568 -2.996 314 3HG1 VAL 40 3HG1 VAL 40 -5.079 1.460 -1.735 315 1HG2 VAL 40 1HG2 VAL 40 -7.361 -1.252 -2.160 316 2HG2 VAL 40 2HG2 VAL 40 -7.400 -1.348 -0.400 317 3HG2 VAL 40 3HG2 VAL 40 -7.576 0.212 -1.201 318 H ILE 41 H ILE 41 -3.151 -1.478 -3.315 319 HA ILE 41 HA ILE 41 -0.854 -1.705 -1.499 320 HB ILE 41 HB ILE 41 -1.102 -1.779 -4.517 321 1HG1 ILE 41 1HG1 ILE 41 0.019 -4.035 -4.057 322 2HG1 ILE 41 2HG1 ILE 41 -0.343 -3.747 -2.356 323 1HG2 ILE 41 1HG2 ILE 41 0.971 -0.545 -3.867 324 2HG2 ILE 41 2HG2 ILE 41 1.445 -1.918 -2.866 325 3HG2 ILE 41 3HG2 ILE 41 1.326 -2.102 -4.616 326 1HD1 ILE 41 1HD1 ILE 41 -2.525 -3.478 -4.405 327 2HD1 ILE 41 2HD1 ILE 41 -2.063 -5.078 -3.823 328 3HD1 ILE 41 3HD1 ILE 41 -2.654 -3.864 -2.688 329 H PHE 42 H PHE 42 0.579 -0.053 -1.180 330 HA PHE 42 HA PHE 42 -0.321 2.613 -2.071 331 1HB PHE 42 1HB PHE 42 1.145 1.604 0.334 332 2HB PHE 42 2HB PHE 42 1.467 3.246 -0.220 333 HD1 PHE 42 HD1 PHE 42 -1.116 0.938 1.062 334 HD2 PHE 42 HD2 PHE 42 -0.220 4.976 -0.097 335 HE1 PHE 42 HE1 PHE 42 -3.226 1.711 2.112 336 HE2 PHE 42 HE2 PHE 42 -2.328 5.747 0.954 337 HZ PHE 42 HZ PHE 42 -3.829 4.116 2.064 338 H LEU 43 H LEU 43 0.829 3.658 -3.559 339 HA LEU 43 HA LEU 43 3.515 2.643 -4.231 340 1HB LEU 43 1HB LEU 43 1.785 4.574 -5.770 341 2HB LEU 43 2HB LEU 43 3.270 3.833 -6.323 342 HG LEU 43 HG LEU 43 1.044 2.006 -5.556 343 1HD1 LEU 43 1HD1 LEU 43 1.080 3.740 -8.043 344 2HD1 LEU 43 2HD1 LEU 43 0.103 2.281 -7.882 345 3HD1 LEU 43 3HD1 LEU 43 -0.188 3.659 -6.821 346 1HD2 LEU 43 1HD2 LEU 43 3.417 1.439 -6.463 347 2HD2 LEU 43 2HD2 LEU 43 2.034 0.610 -7.179 348 3HD2 LEU 43 3HD2 LEU 43 2.783 1.968 -8.020 349 H THR 44 H THR 44 5.028 3.659 -3.018 350 HA THR 44 HA THR 44 4.711 6.329 -2.057 351 HB THR 44 HB THR 44 7.028 6.130 -1.309 352 HG1 THR 44 HG1 THR 44 7.015 3.746 -2.844 353 1HG2 THR 44 1HG2 THR 44 5.038 3.985 -0.877 354 2HG2 THR 44 2HG2 THR 44 6.687 3.587 -0.398 355 3HG2 THR 44 3HG2 THR 44 5.883 4.993 0.298 356 H LYS 45 H LYS 45 6.448 8.016 -2.535 357 HA LYS 45 HA LYS 45 6.242 8.833 -5.216 358 1HB LYS 45 1HB LYS 45 7.950 9.695 -2.905 359 2HB LYS 45 2HB LYS 45 8.257 10.349 -4.514 360 1HG LYS 45 1HG LYS 45 6.273 11.509 -4.574 361 2HG LYS 45 2HG LYS 45 5.425 10.313 -3.594 362 1HD LYS 45 1HD LYS 45 5.611 11.903 -1.965 363 2HD LYS 45 2HD LYS 45 7.230 11.227 -1.779 364 1HE LYS 45 1HE LYS 45 8.084 12.908 -3.411 365 2HE LYS 45 2HE LYS 45 6.472 13.620 -3.482 366 1HZ LYS 45 1HZ LYS 45 6.597 14.011 -1.090 367 2HZ LYS 45 2HZ LYS 45 8.171 13.372 -1.058 368 3HZ LYS 45 3HZ LYS 45 7.850 14.804 -1.913 369 H ARG 46 H ARG 46 9.106 7.616 -3.470 370 HA ARG 46 HA ARG 46 10.128 6.578 -6.045 371 1HB ARG 46 1HB ARG 46 11.265 8.713 -5.335 372 2HB ARG 46 2HB ARG 46 11.848 7.840 -3.917 373 1HG ARG 46 1HG ARG 46 13.190 6.399 -5.195 374 2HG ARG 46 2HG ARG 46 12.283 6.716 -6.675 375 1HD ARG 46 1HD ARG 46 13.315 8.772 -7.031 376 2HD ARG 46 2HD ARG 46 13.719 8.978 -5.330 377 HE ARG 46 HE ARG 46 15.353 7.737 -7.309 378 1HH1 ARG 46 1HH1 ARG 46 14.409 7.486 -3.947 379 2HH1 ARG 46 2HH1 ARG 46 15.886 6.721 -3.472 380 1HH2 ARG 46 1HH2 ARG 46 17.263 6.737 -6.647 381 2HH2 ARG 46 2HH2 ARG 46 17.489 6.299 -4.986 382 H GLY 47 H GLY 47 9.094 5.704 -3.037 383 1HA GLY 47 1HA GLY 47 9.601 4.006 -1.556 384 2HA GLY 47 2HA GLY 47 11.195 3.886 -2.294 385 H ARG 48 H ARG 48 8.217 2.411 -1.920 386 HA ARG 48 HA ARG 48 8.267 0.908 -4.420 387 1HB ARG 48 1HB ARG 48 9.345 -0.140 -1.873 388 2HB ARG 48 2HB ARG 48 8.223 -1.213 -2.707 389 1HG ARG 48 1HG ARG 48 9.686 -0.503 -4.822 390 2HG ARG 48 2HG ARG 48 10.905 -0.228 -3.578 391 1HD ARG 48 1HD ARG 48 11.305 -2.458 -3.932 392 2HD ARG 48 2HD ARG 48 10.010 -2.618 -2.750 393 HE ARG 48 HE ARG 48 8.653 -3.466 -4.429 394 1HH1 ARG 48 1HH1 ARG 48 11.422 -1.869 -5.857 395 2HH1 ARG 48 2HH1 ARG 48 11.049 -2.407 -7.458 396 1HH2 ARG 48 1HH2 ARG 48 8.203 -4.145 -6.533 397 2HH2 ARG 48 2HH2 ARG 48 9.244 -3.684 -7.840 398 H GLN 49 H GLN 49 6.662 -1.148 -3.904 399 HA GLN 49 HA GLN 49 4.129 0.136 -3.257 400 1HB GLN 49 1HB GLN 49 4.944 -2.444 -4.549 401 2HB GLN 49 2HB GLN 49 3.312 -2.268 -3.905 402 1HG GLN 49 1HG GLN 49 2.739 -0.612 -5.426 403 2HG GLN 49 2HG GLN 49 4.409 -0.084 -5.634 404 2HE2 GLN 49 2HE2 GLN 49 5.764 -2.351 -6.369 405 1HE2 GLN 49 1HE2 GLN 49 5.106 -3.022 -7.782 406 H VAL 50 H VAL 50 2.623 -0.768 -1.739 407 HA VAL 50 HA VAL 50 3.631 -2.740 0.169 408 HB VAL 50 HB VAL 50 2.828 0.046 1.049 409 1HG1 VAL 50 1HG1 VAL 50 3.316 -2.539 2.470 410 2HG1 VAL 50 2HG1 VAL 50 3.897 -1.060 3.236 411 3HG1 VAL 50 3HG1 VAL 50 2.185 -1.241 2.857 412 1HG2 VAL 50 1HG2 VAL 50 5.493 -1.389 0.944 413 2HG2 VAL 50 2HG2 VAL 50 5.054 0.115 0.134 414 3HG2 VAL 50 3HG2 VAL 50 5.217 0.074 1.890 415 H CYS 51 H CYS 51 2.033 -4.098 0.592 416 HA CYS 51 HA CYS 51 -0.693 -3.537 -0.131 417 1HB CYS 51 1HB CYS 51 0.770 -5.841 1.096 418 2HB CYS 51 2HB CYS 51 -0.982 -5.763 1.286 419 H ALA 52 H ALA 52 -2.126 -2.458 1.085 420 HA ALA 52 HA ALA 52 -1.906 -2.642 4.017 421 1HB ALA 52 1HB ALA 52 -0.779 -0.536 3.175 422 2HB ALA 52 2HB ALA 52 -2.365 -0.012 2.612 423 3HB ALA 52 3HB ALA 52 -2.087 -0.284 4.332 424 H ASP 53 H ASP 53 -3.797 -2.878 5.017 425 HA ASP 53 HA ASP 53 -6.237 -2.821 3.388 426 1HB ASP 53 1HB ASP 53 -5.374 -4.206 5.863 427 2HB ASP 53 2HB ASP 53 -7.067 -3.714 5.813 428 H LYS 54 H LYS 54 -7.806 -1.345 3.635 429 HA LYS 54 HA LYS 54 -7.354 1.087 4.945 430 1HB LYS 54 1HB LYS 54 -9.767 1.532 4.564 431 2HB LYS 54 2HB LYS 54 -8.957 0.918 3.125 432 1HG LYS 54 1HG LYS 54 -10.078 -1.181 4.875 433 2HG LYS 54 2HG LYS 54 -11.283 -0.115 4.153 434 1HD LYS 54 1HD LYS 54 -9.701 -0.565 1.994 435 2HD LYS 54 2HD LYS 54 -9.485 -2.089 2.858 436 1HE LYS 54 1HE LYS 54 -12.268 -1.052 2.647 437 2HE LYS 54 2HE LYS 54 -11.538 -1.677 1.168 438 1HZ LYS 54 1HZ LYS 54 -10.986 -3.716 2.369 439 2HZ LYS 54 2HZ LYS 54 -11.758 -3.115 3.758 440 3HZ LYS 54 3HZ LYS 54 -12.661 -3.432 2.357 441 H SER 55 H SER 55 -8.542 -1.918 6.194 442 HA SER 55 HA SER 55 -10.124 -1.089 8.336 443 1HB SER 55 1HB SER 55 -8.534 -3.489 7.694 444 2HB SER 55 2HB SER 55 -8.874 -3.245 9.404 445 HG SER 55 HG SER 55 -10.486 -4.407 8.016 446 H LYS 56 H LYS 56 -6.651 -1.027 7.935 447 HA LYS 56 HA LYS 56 -5.885 -0.740 10.636 448 1HB LYS 56 1HB LYS 56 -4.568 0.412 8.163 449 2HB LYS 56 2HB LYS 56 -3.815 0.257 9.750 450 1HG LYS 56 1HG LYS 56 -5.029 -2.189 8.534 451 2HG LYS 56 2HG LYS 56 -3.491 -1.618 7.885 452 1HD LYS 56 1HD LYS 56 -2.583 -1.582 10.223 453 2HD LYS 56 2HD LYS 56 -4.091 -2.314 10.774 454 1HE LYS 56 1HE LYS 56 -3.700 -4.233 9.253 455 2HE LYS 56 2HE LYS 56 -2.171 -3.511 8.753 456 1HZ LYS 56 1HZ LYS 56 -2.854 -4.224 11.552 457 2HZ LYS 56 2HZ LYS 56 -1.922 -5.193 10.513 458 3HZ LYS 56 3HZ LYS 56 -1.357 -3.662 10.985 459 H ASP 57 H ASP 57 -4.591 1.504 11.108 460 HA ASP 57 HA ASP 57 -6.706 3.561 11.038 461 1HB ASP 57 1HB ASP 57 -5.429 4.583 12.945 462 2HB ASP 57 2HB ASP 57 -6.080 2.982 13.294 463 H TRP 58 H TRP 58 -3.206 3.108 10.638 464 HA TRP 58 HA TRP 58 -2.795 5.808 9.746 465 1HB TRP 58 1HB TRP 58 -0.522 5.047 9.126 466 2HB TRP 58 2HB TRP 58 -0.941 4.646 10.788 467 HD1 TRP 58 HD1 TRP 58 -1.379 2.088 11.374 468 HE1 TRP 58 HE1 TRP 58 -0.653 -0.083 10.192 469 HE3 TRP 58 HE3 TRP 58 -0.111 3.956 6.798 470 HZ2 TRP 58 HZ2 TRP 58 0.336 -0.923 7.628 471 HZ3 TRP 58 HZ3 TRP 58 0.724 2.458 5.011 472 HH2 TRP 58 HH2 TRP 58 0.946 0.026 5.421 473 H VAL 59 H VAL 59 -3.690 2.813 8.242 474 HA VAL 59 HA VAL 59 -2.981 3.583 5.564 475 HB VAL 59 HB VAL 59 -4.958 1.484 6.489 476 1HG1 VAL 59 1HG1 VAL 59 -3.880 2.348 3.867 477 2HG1 VAL 59 2HG1 VAL 59 -3.865 0.606 4.146 478 3HG1 VAL 59 3HG1 VAL 59 -5.381 1.501 4.243 479 1HG2 VAL 59 1HG2 VAL 59 -1.986 1.327 5.894 480 2HG2 VAL 59 2HG2 VAL 59 -2.752 1.087 7.464 481 3HG2 VAL 59 3HG2 VAL 59 -3.028 -0.070 6.162 482 H LYS 60 H LYS 60 -5.782 3.875 7.649 483 HA LYS 60 HA LYS 60 -7.654 4.635 5.645 484 1HB LYS 60 1HB LYS 60 -8.111 3.880 8.071 485 2HB LYS 60 2HB LYS 60 -7.773 5.553 8.511 486 1HG LYS 60 1HG LYS 60 -9.508 6.307 6.900 487 2HG LYS 60 2HG LYS 60 -9.879 4.621 6.537 488 1HD LYS 60 1HD LYS 60 -10.275 4.330 9.056 489 2HD LYS 60 2HD LYS 60 -10.266 6.091 9.149 490 1HE LYS 60 1HE LYS 60 -11.970 5.803 7.095 491 2HE LYS 60 2HE LYS 60 -12.271 4.268 7.910 492 1HZ LYS 60 1HZ LYS 60 -12.595 5.548 9.984 493 2HZ LYS 60 2HZ LYS 60 -12.471 6.984 9.090 494 3HZ LYS 60 3HZ LYS 60 -13.747 5.904 8.787 495 H LYS 61 H LYS 61 -5.503 6.454 7.793 496 HA LYS 61 HA LYS 61 -6.395 9.042 7.107 497 1HB LYS 61 1HB LYS 61 -3.914 7.911 8.320 498 2HB LYS 61 2HB LYS 61 -3.858 9.568 7.715 499 1HG LYS 61 1HG LYS 61 -4.564 9.832 9.947 500 2HG LYS 61 2HG LYS 61 -6.072 9.894 9.033 501 1HD LYS 61 1HD LYS 61 -6.233 7.365 9.423 502 2HD LYS 61 2HD LYS 61 -4.950 7.576 10.616 503 1HE LYS 61 1HE LYS 61 -7.585 9.076 10.635 504 2HE LYS 61 2HE LYS 61 -7.220 7.673 11.640 505 1HZ LYS 61 1HZ LYS 61 -5.322 8.923 12.551 506 2HZ LYS 61 2HZ LYS 61 -5.808 10.284 11.663 507 3HZ LYS 61 3HZ LYS 61 -6.815 9.665 12.882 508 H LEU 62 H LEU 62 -3.880 6.969 5.708 509 HA LEU 62 HA LEU 62 -2.845 8.825 3.856 510 1HB LEU 62 1HB LEU 62 -3.066 5.830 3.622 511 2HB LEU 62 2HB LEU 62 -2.097 6.849 2.583 512 HG LEU 62 HG LEU 62 -1.622 6.886 5.541 513 1HD1 LEU 62 1HD1 LEU 62 -1.141 4.653 3.642 514 2HD1 LEU 62 2HD1 LEU 62 0.214 5.090 4.682 515 3HD1 LEU 62 3HD1 LEU 62 -1.329 4.624 5.394 516 1HD2 LEU 62 1HD2 LEU 62 -0.225 7.633 3.018 517 2HD2 LEU 62 2HD2 LEU 62 -0.212 8.436 4.588 518 3HD2 LEU 62 3HD2 LEU 62 0.783 7.005 4.322 519 H MET 63 H MET 63 -5.436 6.437 3.595 520 HA MET 63 HA MET 63 -6.106 6.697 0.911 521 1HB MET 63 1HB MET 63 -7.814 6.156 3.335 522 2HB MET 63 2HB MET 63 -8.482 6.166 1.704 523 1HG MET 63 1HG MET 63 -6.350 4.585 1.268 524 2HG MET 63 2HG MET 63 -6.608 4.229 2.975 525 1HE MET 63 1HE MET 63 -7.149 3.746 -0.358 526 2HE MET 63 2HE MET 63 -7.336 2.045 0.091 527 3HE MET 63 3HE MET 63 -8.665 2.908 -0.680 528 H GLN 64 H GLN 64 -7.019 8.725 3.644 529 HA GLN 64 HA GLN 64 -8.720 10.430 2.021 530 1HB GLN 64 1HB GLN 64 -8.802 9.881 4.635 531 2HB GLN 64 2HB GLN 64 -7.767 11.309 4.702 532 1HG GLN 64 1HG GLN 64 -9.422 12.718 3.916 533 2HG GLN 64 2HG GLN 64 -10.220 11.439 3.000 534 2HE2 GLN 64 2HE2 GLN 64 -11.690 10.004 4.160 535 1HE2 GLN 64 1HE2 GLN 64 -12.261 10.394 5.710 536 H GLN 65 H GLN 65 -5.441 10.403 3.253 537 HA GLN 65 HA GLN 65 -4.857 13.148 2.709 538 1HB GLN 65 1HB GLN 65 -3.262 10.716 3.383 539 2HB GLN 65 2HB GLN 65 -2.422 12.112 2.710 540 1HG GLN 65 1HG GLN 65 -4.368 12.766 4.837 541 2HG GLN 65 2HG GLN 65 -3.003 11.790 5.372 542 2HE2 GLN 65 2HE2 GLN 65 -3.857 14.887 3.821 543 1HE2 GLN 65 1HE2 GLN 65 -2.370 15.641 4.138 544 H LEU 66 H LEU 66 -4.539 10.136 0.904 545 HA LEU 66 HA LEU 66 -3.519 11.656 -1.416 546 1HB LEU 66 1HB LEU 66 -3.610 8.667 -1.234 547 2HB LEU 66 2HB LEU 66 -2.598 9.674 -2.247 548 HG LEU 66 HG LEU 66 -2.324 9.265 0.740 549 1HD1 LEU 66 1HD1 LEU 66 -1.524 7.588 -1.215 550 2HD1 LEU 66 2HD1 LEU 66 -0.154 8.697 -1.216 551 3HD1 LEU 66 3HD1 LEU 66 -0.591 7.837 0.260 552 1HD2 LEU 66 1HD2 LEU 66 -1.192 11.266 -1.155 553 2HD2 LEU 66 2HD2 LEU 66 -1.506 11.408 0.575 554 3HD2 LEU 66 3HD2 LEU 66 -0.072 10.553 0.005 555 HA PRO 67 HA PRO 67 -7.422 10.965 -3.358 556 1HB PRO 67 1HB PRO 67 -6.707 11.268 -5.985 557 2HB PRO 67 2HB PRO 67 -6.871 12.610 -4.844 558 1HG PRO 67 1HG PRO 67 -4.417 11.380 -5.953 559 2HG PRO 67 2HG PRO 67 -4.682 13.021 -5.346 560 1HD PRO 67 1HD PRO 67 -3.393 10.908 -3.962 561 2HD PRO 67 2HD PRO 67 -3.912 12.462 -3.270 562 H VAL 68 H VAL 68 -5.316 9.618 -5.874 563 HA VAL 68 HA VAL 68 -5.497 6.905 -5.315 564 HB VAL 68 HB VAL 68 -7.981 8.028 -6.469 565 1HG1 VAL 68 1HG1 VAL 68 -7.057 7.011 -8.538 566 2HG1 VAL 68 2HG1 VAL 68 -6.857 5.482 -7.680 567 3HG1 VAL 68 3HG1 VAL 68 -8.472 6.137 -7.950 568 1HG2 VAL 68 1HG2 VAL 68 -7.084 5.897 -4.674 569 2HG2 VAL 68 2HG2 VAL 68 -8.607 6.783 -4.695 570 3HG2 VAL 68 3HG2 VAL 68 -8.392 5.376 -5.734 571 H THR 69 H THR 69 -4.910 5.571 -7.237 572 HA THR 69 HA THR 69 -2.829 6.821 -8.707 573 HB THR 69 HB THR 69 -3.177 4.563 -10.107 574 HG1 THR 69 HG1 THR 69 -4.308 3.095 -9.022 575 1HG2 THR 69 1HG2 THR 69 -1.410 5.400 -8.294 576 2HG2 THR 69 2HG2 THR 69 -2.217 4.181 -7.307 577 3HG2 THR 69 3HG2 THR 69 -1.454 3.720 -8.828 578 H ALA 70 H ALA 70 -2.722 7.562 -10.775 579 HA ALA 70 HA ALA 70 -4.728 7.130 -12.749 580 1HB ALA 70 1HB ALA 70 -5.687 9.369 -12.859 581 2HB ALA 70 2HB ALA 70 -6.002 8.666 -11.272 582 3HB ALA 70 3HB ALA 70 -4.729 9.873 -11.466 583 H ARG 71 H ARG 71 -4.413 8.715 -14.625 584 HA ARG 71 HA ARG 71 -1.757 9.923 -14.746 585 1HB ARG 71 1HB ARG 71 -2.582 7.563 -16.442 586 2HB ARG 71 2HB ARG 71 -1.284 8.664 -16.905 587 1HG ARG 71 1HG ARG 71 -0.122 8.185 -14.777 588 2HG ARG 71 2HG ARG 71 -1.413 7.070 -14.327 589 1HD ARG 71 1HD ARG 71 -0.756 5.474 -15.850 590 2HD ARG 71 2HD ARG 71 -0.116 6.661 -16.980 591 HE ARG 71 HE ARG 71 1.514 6.714 -14.704 592 1HH1 ARG 71 1HH1 ARG 71 0.631 4.478 -17.248 593 2HH1 ARG 71 2HH1 ARG 71 2.144 3.640 -17.192 594 1HH2 ARG 71 1HH2 ARG 71 3.472 5.594 -14.663 595 2HH2 ARG 71 2HH2 ARG 71 3.738 4.265 -15.742 No H/Q in entry = 595 Start of MODEL 4 1 H1 LEU 1 H1 LEU 1 -9.827 -1.983 -26.012 2 H2 LEU 1 H2 LEU 1 -11.260 -2.427 -26.803 3 H3 LEU 1 H3 LEU 1 -9.825 -2.233 -27.692 4 HA LEU 1 HA LEU 1 -9.814 0.090 -27.395 5 1HB LEU 1 1HB LEU 1 -11.728 -1.195 -28.835 6 2HB LEU 1 2HB LEU 1 -12.746 -0.244 -27.755 7 HG LEU 1 HG LEU 1 -12.279 1.010 -29.816 8 1HD1 LEU 1 1HD1 LEU 1 -12.428 2.175 -27.569 9 2HD1 LEU 1 2HD1 LEU 1 -10.664 2.208 -27.552 10 3HD1 LEU 1 3HD1 LEU 1 -11.551 3.066 -28.812 11 1HD2 LEU 1 1HD2 LEU 1 -9.916 -0.218 -29.931 12 2HD2 LEU 1 2HD2 LEU 1 -10.160 1.359 -30.681 13 3HD2 LEU 1 3HD2 LEU 1 -9.382 1.244 -29.102 14 H GLY 2 H GLY 2 -9.673 1.387 -25.689 15 1HA GLY 2 1HA GLY 2 -11.892 2.209 -24.151 16 2HA GLY 2 2HA GLY 2 -10.205 2.533 -23.761 17 H ALA 3 H ALA 3 -9.299 1.482 -22.089 18 HA ALA 3 HA ALA 3 -10.962 -0.469 -20.650 19 1HB ALA 3 1HB ALA 3 -9.315 -2.120 -20.505 20 2HB ALA 3 2HB ALA 3 -8.024 -1.009 -20.961 21 3HB ALA 3 3HB ALA 3 -9.165 -1.580 -22.178 22 H SER 4 H SER 4 -11.331 1.031 -19.038 23 HA SER 4 HA SER 4 -9.343 2.648 -17.832 24 1HB SER 4 1HB SER 4 -11.909 1.640 -16.586 25 2HB SER 4 2HB SER 4 -10.961 3.030 -16.060 26 HG SER 4 HG SER 4 -11.726 4.163 -17.679 27 H TRP 5 H TRP 5 -10.450 -0.626 -17.246 28 HA TRP 5 HA TRP 5 -8.616 -0.853 -14.946 29 1HB TRP 5 1HB TRP 5 -9.797 -3.021 -14.529 30 2HB TRP 5 2HB TRP 5 -10.856 -1.613 -14.440 31 HD1 TRP 5 HD1 TRP 5 -12.687 -1.316 -16.297 32 HE1 TRP 5 HE1 TRP 5 -13.610 -2.889 -18.119 33 HE3 TRP 5 HE3 TRP 5 -9.121 -4.970 -16.198 34 HZ2 TRP 5 HZ2 TRP 5 -12.927 -5.369 -19.370 35 HZ3 TRP 5 HZ3 TRP 5 -9.281 -6.924 -17.714 36 HH2 TRP 5 HH2 TRP 5 -11.178 -7.128 -19.298 37 H HIS 6 H HIS 6 -7.007 -2.392 -14.888 38 HA HIS 6 HA HIS 6 -6.305 -3.569 -17.507 39 1HB HIS 6 1HB HIS 6 -4.692 -2.494 -15.236 40 2HB HIS 6 2HB HIS 6 -4.016 -3.819 -16.184 41 HD1 HIS 6 HD1 HIS 6 -6.037 -0.754 -17.244 42 HD2 HIS 6 HD2 HIS 6 -2.408 -2.626 -18.082 43 HE1 HIS 6 HE1 HIS 6 -4.966 0.569 -19.119 44 H ARG 7 H ARG 7 -4.662 -5.527 -16.993 45 HA ARG 7 HA ARG 7 -6.254 -7.673 -16.140 46 1HB ARG 7 1HB ARG 7 -3.281 -7.386 -16.541 47 2HB ARG 7 2HB ARG 7 -4.011 -8.908 -16.029 48 1HG ARG 7 1HG ARG 7 -5.572 -8.686 -18.035 49 2HG ARG 7 2HG ARG 7 -4.522 -7.381 -18.589 50 1HD ARG 7 1HD ARG 7 -2.625 -9.186 -18.129 51 2HD ARG 7 2HD ARG 7 -3.958 -10.310 -18.374 52 HE ARG 7 HE ARG 7 -3.809 -9.846 -20.629 53 1HH1 ARG 7 1HH1 ARG 7 -2.485 -7.148 -18.834 54 2HH1 ARG 7 2HH1 ARG 7 -2.009 -6.289 -20.258 55 1HH2 ARG 7 1HH2 ARG 7 -3.171 -8.693 -22.458 56 2HH2 ARG 7 2HH2 ARG 7 -2.392 -7.154 -22.292 57 HA PRO 8 HA PRO 8 -5.488 -6.905 -11.730 58 1HB PRO 8 1HB PRO 8 -7.596 -8.371 -10.801 59 2HB PRO 8 2HB PRO 8 -7.743 -6.714 -11.408 60 1HG PRO 8 1HG PRO 8 -8.587 -9.252 -12.665 61 2HG PRO 8 2HG PRO 8 -9.198 -7.611 -12.917 62 1HD PRO 8 1HD PRO 8 -7.405 -9.043 -14.607 63 2HD PRO 8 2HD PRO 8 -7.865 -7.331 -14.745 64 H ASP 9 H ASP 9 -3.652 -8.048 -11.238 65 HA ASP 9 HA ASP 9 -3.941 -10.666 -10.097 66 1HB ASP 9 1HB ASP 9 -2.790 -10.365 -12.830 67 2HB ASP 9 2HB ASP 9 -1.989 -11.478 -11.721 68 H LYS 10 H LYS 10 -3.135 -9.337 -8.360 69 HA LYS 10 HA LYS 10 -0.357 -9.617 -7.931 70 1HB LYS 10 1HB LYS 10 -0.702 -7.526 -9.576 71 2HB LYS 10 2HB LYS 10 -0.964 -6.708 -8.035 72 1HG LYS 10 1HG LYS 10 1.188 -7.694 -7.208 73 2HG LYS 10 2HG LYS 10 1.465 -8.340 -8.825 74 1HD LYS 10 1HD LYS 10 1.373 -6.052 -9.756 75 2HD LYS 10 2HD LYS 10 1.117 -5.408 -8.134 76 1HE LYS 10 1HE LYS 10 3.285 -5.970 -7.430 77 2HE LYS 10 2HE LYS 10 3.495 -7.159 -8.716 78 1HZ LYS 10 1HZ LYS 10 3.245 -5.134 -10.255 79 2HZ LYS 10 2HZ LYS 10 3.618 -4.219 -8.873 80 3HZ LYS 10 3HZ LYS 10 4.724 -5.366 -9.453 81 H CYS 11 H CYS 11 -2.788 -10.175 -6.582 82 HA CYS 11 HA CYS 11 -3.431 -8.326 -4.551 83 1HB CYS 11 1HB CYS 11 -3.584 -11.347 -4.415 84 2HB CYS 11 2HB CYS 11 -4.456 -10.209 -3.389 85 H CYS 12 H CYS 12 -3.163 -9.353 -2.132 86 HA CYS 12 HA CYS 12 -0.257 -9.764 -1.739 87 1HB CYS 12 1HB CYS 12 -2.073 -8.116 0.037 88 2HB CYS 12 2HB CYS 12 -0.339 -8.354 0.236 89 H LEU 13 H LEU 13 0.352 -11.096 -0.044 90 HA LEU 13 HA LEU 13 -1.765 -12.883 0.947 91 1HB LEU 13 1HB LEU 13 1.196 -13.083 0.644 92 2HB LEU 13 2HB LEU 13 0.393 -14.090 1.827 93 HG LEU 13 HG LEU 13 -0.494 -14.049 -1.053 94 1HD1 LEU 13 1HD1 LEU 13 2.010 -14.585 -0.726 95 2HD1 LEU 13 2HD1 LEU 13 1.460 -16.039 0.107 96 3HD1 LEU 13 3HD1 LEU 13 1.037 -15.779 -1.586 97 1HD2 LEU 13 1HD2 LEU 13 -1.853 -15.071 0.886 98 2HD2 LEU 13 2HD2 LEU 13 -1.531 -16.115 -0.498 99 3HD2 LEU 13 3HD2 LEU 13 -0.580 -16.288 0.977 100 H GLY 14 H GLY 14 -0.983 -10.086 1.977 101 1HA GLY 14 1HA GLY 14 0.180 -10.337 4.541 102 2HA GLY 14 2HA GLY 14 -1.576 -10.424 4.678 103 H TYR 15 H TYR 15 0.155 -8.325 5.689 104 HA TYR 15 HA TYR 15 -0.191 -6.054 3.908 105 1HB TYR 15 1HB TYR 15 -1.774 -6.284 6.473 106 2HB TYR 15 2HB TYR 15 -1.554 -4.784 5.574 107 HD1 TYR 15 HD1 TYR 15 -2.415 -4.587 3.239 108 HD2 TYR 15 HD2 TYR 15 -3.306 -7.976 5.718 109 HE1 TYR 15 HE1 TYR 15 -4.277 -5.198 1.725 110 HE2 TYR 15 HE2 TYR 15 -5.169 -8.594 4.201 111 HH TYR 15 HH TYR 15 -5.505 -7.705 1.247 112 H GLN 16 H GLN 16 0.514 -4.007 5.005 113 HA GLN 16 HA GLN 16 3.061 -4.453 6.246 114 1HB GLN 16 1HB GLN 16 2.225 -2.443 4.737 115 2HB GLN 16 2HB GLN 16 1.743 -1.763 6.281 116 1HG GLN 16 1HG GLN 16 4.020 -1.038 5.651 117 2HG GLN 16 2HG GLN 16 4.034 -1.993 7.127 118 2HE2 GLN 16 2HE2 GLN 16 3.653 -3.528 3.931 119 1HE2 GLN 16 1HE2 GLN 16 5.172 -4.278 3.934 120 H LYS 17 H LYS 17 3.353 -4.924 8.309 121 HA LYS 17 HA LYS 17 1.293 -4.444 10.273 122 1HB LYS 17 1HB LYS 17 2.944 -5.430 11.864 123 2HB LYS 17 2HB LYS 17 2.625 -6.462 10.470 124 1HG LYS 17 1HG LYS 17 4.686 -5.923 9.450 125 2HG LYS 17 2HG LYS 17 4.913 -4.497 10.462 126 1HD LYS 17 1HD LYS 17 6.351 -6.013 11.491 127 2HD LYS 17 2HD LYS 17 4.876 -6.244 12.432 128 1HE LYS 17 1HE LYS 17 4.293 -8.216 11.199 129 2HE LYS 17 2HE LYS 17 5.543 -7.908 9.994 130 1HZ LYS 17 1HZ LYS 17 7.201 -8.154 11.786 131 2HZ LYS 17 2HZ LYS 17 5.955 -8.605 12.849 132 3HZ LYS 17 3HZ LYS 17 6.318 -9.572 11.500 133 H ARG 18 H ARG 18 3.849 -2.578 9.005 134 HA ARG 18 HA ARG 18 3.886 -0.892 11.433 135 1HB ARG 18 1HB ARG 18 5.978 -1.558 9.408 136 2HB ARG 18 2HB ARG 18 5.998 0.054 10.125 137 1HG ARG 18 1HG ARG 18 5.653 -1.374 12.368 138 2HG ARG 18 2HG ARG 18 6.481 -2.596 11.403 139 1HD ARG 18 1HD ARG 18 7.534 0.221 11.623 140 2HD ARG 18 2HD ARG 18 7.949 -1.012 12.810 141 HE ARG 18 HE ARG 18 8.424 -1.969 10.167 142 1HH1 ARG 18 1HH1 ARG 18 9.713 0.195 12.599 143 2HH1 ARG 18 2HH1 ARG 18 11.338 0.052 12.026 144 1HH2 ARG 18 1HH2 ARG 18 10.558 -2.127 9.454 145 2HH2 ARG 18 2HH2 ARG 18 11.815 -1.251 10.261 146 HA PRO 19 HA PRO 19 1.948 2.157 8.859 147 1HB PRO 19 1HB PRO 19 2.298 4.346 10.458 148 2HB PRO 19 2HB PRO 19 1.121 3.067 10.782 149 1HG PRO 19 1HG PRO 19 3.662 3.656 12.153 150 2HG PRO 19 2HG PRO 19 2.239 2.784 12.740 151 1HD PRO 19 1HD PRO 19 4.690 1.648 11.803 152 2HD PRO 19 2HD PRO 19 3.203 0.781 12.253 153 H LEU 20 H LEU 20 2.532 3.406 7.169 154 HA LEU 20 HA LEU 20 5.321 4.358 7.056 155 1HB LEU 20 1HB LEU 20 3.535 4.410 4.677 156 2HB LEU 20 2HB LEU 20 5.262 4.148 4.767 157 HG LEU 20 HG LEU 20 3.086 2.147 5.413 158 1HD1 LEU 20 1HD1 LEU 20 3.752 2.727 2.983 159 2HD1 LEU 20 2HD1 LEU 20 5.286 1.942 3.358 160 3HD1 LEU 20 3HD1 LEU 20 3.781 1.026 3.449 161 1HD2 LEU 20 1HD2 LEU 20 6.008 2.228 6.012 162 2HD2 LEU 20 2HD2 LEU 20 4.701 1.449 6.903 163 3HD2 LEU 20 3HD2 LEU 20 5.345 0.696 5.445 164 HA PRO 21 HA PRO 21 3.716 8.507 7.241 165 1HB PRO 21 1HB PRO 21 5.988 9.858 6.545 166 2HB PRO 21 2HB PRO 21 5.742 9.097 8.127 167 1HG PRO 21 1HG PRO 21 7.479 8.252 5.893 168 2HG PRO 21 2HG PRO 21 7.606 7.887 7.620 169 1HD PRO 21 1HD PRO 21 6.588 6.174 5.571 170 2HD PRO 21 2HD PRO 21 6.570 5.878 7.326 171 H GLN 22 H GLN 22 2.694 9.912 5.880 172 HA GLN 22 HA GLN 22 2.711 9.420 3.054 173 1HB GLN 22 1HB GLN 22 0.756 10.279 4.484 174 2HB GLN 22 2HB GLN 22 1.538 11.856 4.383 175 1HG GLN 22 1HG GLN 22 1.254 10.389 1.817 176 2HG GLN 22 2HG GLN 22 -0.246 10.968 2.543 177 2HE2 GLN 22 2HE2 GLN 22 1.880 11.913 0.280 178 1HE2 GLN 22 1HE2 GLN 22 1.877 13.593 0.522 179 H VAL 23 H VAL 23 4.766 11.216 5.062 180 HA VAL 23 HA VAL 23 5.325 13.544 3.679 181 HB VAL 23 HB VAL 23 6.265 12.973 5.882 182 1HG1 VAL 23 1HG1 VAL 23 6.852 10.551 4.859 183 2HG1 VAL 23 2HG1 VAL 23 8.423 11.329 4.660 184 3HG1 VAL 23 3HG1 VAL 23 7.689 11.218 6.260 185 1HG2 VAL 23 1HG2 VAL 23 8.317 13.536 3.721 186 2HG2 VAL 23 2HG2 VAL 23 7.371 14.731 4.609 187 3HG2 VAL 23 3HG2 VAL 23 8.594 13.774 5.446 188 H LEU 24 H LEU 24 6.048 10.263 2.761 189 HA LEU 24 HA LEU 24 7.490 11.323 0.413 190 1HB LEU 24 1HB LEU 24 9.128 9.685 0.479 191 2HB LEU 24 2HB LEU 24 8.978 10.210 2.136 192 HG LEU 24 HG LEU 24 9.212 7.895 2.305 193 1HD1 LEU 24 1HD1 LEU 24 7.159 8.777 3.487 194 2HD1 LEU 24 2HD1 LEU 24 6.205 8.167 2.136 195 3HD1 LEU 24 3HD1 LEU 24 7.127 7.049 3.137 196 1HD2 LEU 24 1HD2 LEU 24 8.669 7.751 -0.293 197 2HD2 LEU 24 2HD2 LEU 24 8.540 6.331 0.745 198 3HD2 LEU 24 3HD2 LEU 24 7.091 7.236 0.305 199 H LEU 25 H LEU 25 4.737 9.763 1.354 200 HA LEU 25 HA LEU 25 4.641 7.759 -0.730 201 1HB LEU 25 1HB LEU 25 3.361 7.981 1.612 202 2HB LEU 25 2HB LEU 25 2.177 8.754 0.587 203 HG LEU 25 HG LEU 25 1.895 6.743 -0.713 204 1HD1 LEU 25 1HD1 LEU 25 4.436 6.005 0.632 205 2HD1 LEU 25 2HD1 LEU 25 3.266 4.698 0.435 206 3HD1 LEU 25 3HD1 LEU 25 3.848 5.581 -0.976 207 1HD2 LEU 25 1HD2 LEU 25 1.811 6.598 2.270 208 2HD2 LEU 25 2HD2 LEU 25 0.486 6.537 1.107 209 3HD2 LEU 25 3HD2 LEU 25 1.498 5.116 1.365 210 H SER 26 H SER 26 2.602 7.844 -2.207 211 HA SER 26 HA SER 26 2.210 10.603 -3.189 212 1HB SER 26 1HB SER 26 2.556 9.984 -5.438 213 2HB SER 26 2HB SER 26 3.880 9.229 -4.560 214 HG SER 26 HG SER 26 3.102 7.591 -5.716 215 H SER 27 H SER 27 1.054 7.265 -3.747 216 HA SER 27 HA SER 27 -1.673 8.060 -3.137 217 1HB SER 27 1HB SER 27 -2.622 7.620 -5.285 218 2HB SER 27 2HB SER 27 -1.286 8.735 -5.550 219 HG SER 27 HG SER 27 -1.379 5.937 -5.976 220 H TRP 28 H TRP 28 -3.056 5.990 -4.238 221 HA TRP 28 HA TRP 28 -1.712 3.473 -3.595 222 1HB TRP 28 1HB TRP 28 -3.606 2.831 -2.044 223 2HB TRP 28 2HB TRP 28 -2.507 4.050 -1.401 224 HD1 TRP 28 HD1 TRP 28 -3.376 6.566 -1.280 225 HE1 TRP 28 HE1 TRP 28 -5.752 7.564 -1.250 226 HE3 TRP 28 HE3 TRP 28 -6.053 2.529 -2.916 227 HZ2 TRP 28 HZ2 TRP 28 -8.431 6.753 -1.847 228 HZ3 TRP 28 HZ3 TRP 28 -8.509 2.674 -3.176 229 HH2 TRP 28 HH2 TRP 28 -9.702 4.779 -2.642 230 H TYR 29 H TYR 29 -2.605 1.734 -4.664 231 HA TYR 29 HA TYR 29 -5.029 2.315 -6.253 232 1HB TYR 29 1HB TYR 29 -4.175 1.070 -8.092 233 2HB TYR 29 2HB TYR 29 -2.878 2.139 -7.580 234 HD1 TYR 29 HD1 TYR 29 -0.965 1.202 -6.195 235 HD2 TYR 29 HD2 TYR 29 -3.949 -1.297 -8.015 236 HE1 TYR 29 HE1 TYR 29 0.523 -0.758 -5.945 237 HE2 TYR 29 HE2 TYR 29 -2.458 -3.260 -7.760 238 HH TYR 29 HH TYR 29 0.209 -3.527 -7.571 239 HA PRO 30 HA PRO 30 -6.640 -1.271 -4.183 240 1HB PRO 30 1HB PRO 30 -8.944 -1.565 -5.620 241 2HB PRO 30 2HB PRO 30 -8.700 -0.303 -4.403 242 1HG PRO 30 1HG PRO 30 -8.774 -0.077 -7.348 243 2HG PRO 30 2HG PRO 30 -9.109 1.146 -6.115 244 1HD PRO 30 1HD PRO 30 -6.715 0.869 -7.637 245 2HD PRO 30 2HD PRO 30 -6.988 1.967 -6.264 246 H THR 31 H THR 31 -6.857 -3.507 -4.419 247 HA THR 31 HA THR 31 -5.958 -4.588 -7.017 248 HB THR 31 HB THR 31 -4.482 -5.147 -5.162 249 HG1 THR 31 HG1 THR 31 -4.337 -6.978 -6.130 250 1HG2 THR 31 1HG2 THR 31 -7.068 -5.728 -3.840 251 2HG2 THR 31 2HG2 THR 31 -5.758 -6.855 -3.486 252 3HG2 THR 31 3HG2 THR 31 -5.556 -5.136 -3.149 253 H SER 32 H SER 32 -6.731 -7.028 -7.165 254 HA SER 32 HA SER 32 -9.549 -6.927 -7.595 255 1HB SER 32 1HB SER 32 -9.079 -9.544 -7.817 256 2HB SER 32 2HB SER 32 -8.603 -8.406 -9.073 257 HG SER 32 HG SER 32 -6.629 -8.975 -8.683 258 H GLN 33 H GLN 33 -11.080 -8.537 -6.699 259 HA GLN 33 HA GLN 33 -10.578 -8.935 -3.809 260 1HB GLN 33 1HB GLN 33 -12.495 -7.381 -4.665 261 2HB GLN 33 2HB GLN 33 -13.327 -8.896 -5.015 262 1HG GLN 33 1HG GLN 33 -13.420 -9.521 -2.769 263 2HG GLN 33 2HG GLN 33 -12.049 -8.501 -2.325 264 2HE2 GLN 33 2HE2 GLN 33 -15.523 -8.454 -3.078 265 1HE2 GLN 33 1HE2 GLN 33 -15.806 -6.899 -2.460 266 H LEU 34 H LEU 34 -9.872 -10.761 -6.047 267 HA LEU 34 HA LEU 34 -11.561 -13.067 -5.275 268 1HB LEU 34 1HB LEU 34 -10.908 -14.056 -7.446 269 2HB LEU 34 2HB LEU 34 -11.872 -12.603 -7.602 270 HG LEU 34 HG LEU 34 -9.413 -11.510 -7.769 271 1HD1 LEU 34 1HD1 LEU 34 -9.146 -14.409 -8.411 272 2HD1 LEU 34 2HD1 LEU 34 -8.302 -13.258 -9.448 273 3HD1 LEU 34 3HD1 LEU 34 -7.966 -13.297 -7.717 274 1HD2 LEU 34 1HD2 LEU 34 -11.427 -11.525 -9.383 275 2HD2 LEU 34 2HD2 LEU 34 -9.823 -11.319 -10.090 276 3HD2 LEU 34 3HD2 LEU 34 -10.625 -12.889 -10.162 277 H CYS 35 H CYS 35 -9.200 -12.045 -3.891 278 HA CYS 35 HA CYS 35 -7.392 -14.356 -4.285 279 1HB CYS 35 1HB CYS 35 -6.667 -11.572 -3.340 280 2HB CYS 35 2HB CYS 35 -5.555 -12.937 -3.461 281 H SER 36 H SER 36 -5.905 -14.378 -2.126 282 HA SER 36 HA SER 36 -7.638 -15.310 -0.073 283 1HB SER 36 1HB SER 36 -5.139 -15.932 -0.625 284 2HB SER 36 2HB SER 36 -4.783 -14.614 0.488 285 HG SER 36 HG SER 36 -5.191 -16.959 1.243 286 H LYS 37 H LYS 37 -5.250 -12.673 0.020 287 HA LYS 37 HA LYS 37 -6.995 -11.290 1.974 288 1HB LYS 37 1HB LYS 37 -3.993 -10.990 1.757 289 2HB LYS 37 2HB LYS 37 -5.044 -10.371 3.029 290 1HG LYS 37 1HG LYS 37 -5.635 -12.704 3.648 291 2HG LYS 37 2HG LYS 37 -4.520 -13.296 2.415 292 1HD LYS 37 1HD LYS 37 -3.060 -13.315 4.183 293 2HD LYS 37 2HD LYS 37 -2.865 -11.621 3.732 294 1HE LYS 37 1HE LYS 37 -4.938 -12.553 5.728 295 2HE LYS 37 2HE LYS 37 -3.317 -12.046 6.201 296 1HZ LYS 37 1HZ LYS 37 -3.855 -9.968 4.820 297 2HZ LYS 37 2HZ LYS 37 -5.473 -10.449 4.981 298 3HZ LYS 37 3HZ LYS 37 -4.547 -10.114 6.364 299 HA PRO 38 HA PRO 38 -6.570 -8.478 -1.646 300 1HB PRO 38 1HB PRO 38 -9.223 -7.884 -1.889 301 2HB PRO 38 2HB PRO 38 -8.458 -9.287 -2.648 302 1HG PRO 38 1HG PRO 38 -10.283 -9.176 -0.327 303 2HG PRO 38 2HG PRO 38 -9.959 -10.510 -1.444 304 1HD PRO 38 1HD PRO 38 -8.915 -10.194 1.193 305 2HD PRO 38 2HD PRO 38 -8.455 -11.432 0.001 306 H GLY 39 H GLY 39 -6.124 -6.361 -1.379 307 1HA GLY 39 1HA GLY 39 -6.054 -4.902 0.864 308 2HA GLY 39 2HA GLY 39 -7.735 -4.684 0.382 309 H VAL 40 H VAL 40 -4.900 -3.172 0.320 310 HA VAL 40 HA VAL 40 -5.025 -2.205 -2.446 311 HB VAL 40 HB VAL 40 -5.177 -0.292 -0.106 312 1HG1 VAL 40 1HG1 VAL 40 -4.143 0.172 -2.547 313 2HG1 VAL 40 2HG1 VAL 40 -5.847 0.456 -2.902 314 3HG1 VAL 40 3HG1 VAL 40 -5.039 1.392 -1.645 315 1HG2 VAL 40 1HG2 VAL 40 -7.288 -1.441 -1.924 316 2HG2 VAL 40 2HG2 VAL 40 -7.325 -1.264 -0.170 317 3HG2 VAL 40 3HG2 VAL 40 -7.486 0.156 -1.203 318 H ILE 41 H ILE 41 -3.102 -1.556 -3.227 319 HA ILE 41 HA ILE 41 -0.806 -1.709 -1.386 320 HB ILE 41 HB ILE 41 -1.078 -2.183 -4.359 321 1HG1 ILE 41 1HG1 ILE 41 0.219 -4.293 -3.499 322 2HG1 ILE 41 2HG1 ILE 41 -0.378 -3.786 -1.919 323 1HG2 ILE 41 1HG2 ILE 41 1.500 -1.966 -2.765 324 2HG2 ILE 41 2HG2 ILE 41 1.373 -2.509 -4.438 325 3HG2 ILE 41 3HG2 ILE 41 0.973 -0.842 -4.019 326 1HD1 ILE 41 1HD1 ILE 41 -2.378 -3.803 -4.114 327 2HD1 ILE 41 2HD1 ILE 41 -1.796 -5.382 -3.586 328 3HD1 ILE 41 3HD1 ILE 41 -2.551 -4.288 -2.427 329 H PHE 42 H PHE 42 0.439 0.020 -1.037 330 HA PHE 42 HA PHE 42 -0.352 2.562 -2.249 331 1HB PHE 42 1HB PHE 42 1.444 1.820 0.061 332 2HB PHE 42 2HB PHE 42 1.382 3.460 -0.587 333 HD1 PHE 42 HD1 PHE 42 -0.792 0.723 0.742 334 HD2 PHE 42 HD2 PHE 42 -0.326 4.939 0.064 335 HE1 PHE 42 HE1 PHE 42 -2.867 1.158 2.028 336 HE2 PHE 42 HE2 PHE 42 -2.404 5.373 1.349 337 HZ PHE 42 HZ PHE 42 -3.673 3.483 2.331 338 H LEU 43 H LEU 43 1.314 4.041 -3.045 339 HA LEU 43 HA LEU 43 3.728 2.699 -4.072 340 1HB LEU 43 1HB LEU 43 2.359 4.616 -5.879 341 2HB LEU 43 2HB LEU 43 3.363 3.237 -6.265 342 HG LEU 43 HG LEU 43 1.307 1.853 -5.392 343 1HD1 LEU 43 1HD1 LEU 43 0.309 4.297 -4.816 344 2HD1 LEU 43 2HD1 LEU 43 -0.298 4.119 -6.462 345 3HD1 LEU 43 3HD1 LEU 43 -0.716 2.925 -5.234 346 1HD2 LEU 43 1HD2 LEU 43 2.281 2.281 -7.801 347 2HD2 LEU 43 2HD2 LEU 43 0.677 1.570 -7.623 348 3HD2 LEU 43 3HD2 LEU 43 0.845 3.287 -7.992 349 H THR 44 H THR 44 5.253 3.817 -2.971 350 HA THR 44 HA THR 44 5.009 6.562 -2.255 351 HB THR 44 HB THR 44 7.365 6.409 -1.634 352 HG1 THR 44 HG1 THR 44 7.240 3.950 -3.035 353 1HG2 THR 44 1HG2 THR 44 5.422 4.285 -0.924 354 2HG2 THR 44 2HG2 THR 44 7.098 3.980 -0.469 355 3HG2 THR 44 3HG2 THR 44 6.275 5.425 0.117 356 H LYS 45 H LYS 45 6.690 8.205 -2.979 357 HA LYS 45 HA LYS 45 6.371 8.736 -5.732 358 1HB LYS 45 1HB LYS 45 8.460 9.858 -3.846 359 2HB LYS 45 2HB LYS 45 7.975 10.554 -5.392 360 1HG LYS 45 1HG LYS 45 5.967 11.322 -4.574 361 2HG LYS 45 2HG LYS 45 5.809 9.993 -3.424 362 1HD LYS 45 1HD LYS 45 6.236 11.945 -2.111 363 2HD LYS 45 2HD LYS 45 7.753 11.045 -2.146 364 1HE LYS 45 1HE LYS 45 8.307 12.498 -4.231 365 2HE LYS 45 2HE LYS 45 7.018 13.551 -3.647 366 1HZ LYS 45 1HZ LYS 45 8.164 13.653 -1.499 367 2HZ LYS 45 2HZ LYS 45 9.433 12.718 -2.133 368 3HZ LYS 45 3HZ LYS 45 9.123 14.263 -2.761 369 H ARG 46 H ARG 46 9.324 7.856 -3.941 370 HA ARG 46 HA ARG 46 10.324 6.537 -6.393 371 1HB ARG 46 1HB ARG 46 11.423 8.761 -5.950 372 2HB ARG 46 2HB ARG 46 12.043 8.071 -4.449 373 1HG ARG 46 1HG ARG 46 13.400 6.519 -5.572 374 2HG ARG 46 2HG ARG 46 12.471 6.648 -7.066 375 1HD ARG 46 1HD ARG 46 14.362 7.905 -7.587 376 2HD ARG 46 2HD ARG 46 13.255 9.149 -7.017 377 HE ARG 46 HE ARG 46 14.894 8.054 -4.911 378 1HH1 ARG 46 1HH1 ARG 46 14.770 10.393 -7.513 379 2HH1 ARG 46 2HH1 ARG 46 15.964 11.420 -6.798 380 1HH2 ARG 46 1HH2 ARG 46 16.448 9.421 -4.015 381 2HH2 ARG 46 2HH2 ARG 46 16.908 10.875 -4.836 382 H GLY 47 H GLY 47 9.371 6.013 -3.268 383 1HA GLY 47 1HA GLY 47 9.914 4.485 -1.624 384 2HA GLY 47 2HA GLY 47 11.505 4.320 -2.357 385 H ARG 48 H ARG 48 8.518 2.863 -1.844 386 HA ARG 48 HA ARG 48 8.645 1.068 -4.142 387 1HB ARG 48 1HB ARG 48 9.597 0.333 -1.432 388 2HB ARG 48 2HB ARG 48 8.540 -0.837 -2.217 389 1HG ARG 48 1HG ARG 48 9.993 -0.927 -4.162 390 2HG ARG 48 2HG ARG 48 11.001 0.367 -3.513 391 1HD ARG 48 1HD ARG 48 12.220 -1.511 -2.885 392 2HD ARG 48 2HD ARG 48 11.241 -1.238 -1.449 393 HE ARG 48 HE ARG 48 10.128 -3.225 -1.892 394 1HH1 ARG 48 1HH1 ARG 48 11.885 -2.205 -4.743 395 2HH1 ARG 48 2HH1 ARG 48 11.568 -3.673 -5.601 396 1HH2 ARG 48 1HH2 ARG 48 9.738 -5.123 -3.047 397 2HH2 ARG 48 2HH2 ARG 48 10.364 -5.311 -4.652 398 H GLN 49 H GLN 49 7.003 -0.897 -3.454 399 HA GLN 49 HA GLN 49 4.492 0.507 -2.873 400 1HB GLN 49 1HB GLN 49 5.233 -1.950 -4.377 401 2HB GLN 49 2HB GLN 49 3.661 -1.945 -3.576 402 1HG GLN 49 1HG GLN 49 2.820 -0.299 -4.934 403 2HG GLN 49 2HG GLN 49 4.381 0.508 -5.098 404 2HE2 GLN 49 2HE2 GLN 49 2.228 -0.833 -7.054 405 1HE2 GLN 49 1HE2 GLN 49 3.229 -1.651 -8.153 406 H VAL 50 H VAL 50 2.865 -0.623 -1.542 407 HA VAL 50 HA VAL 50 3.846 -2.583 0.377 408 HB VAL 50 HB VAL 50 2.949 0.167 1.282 409 1HG1 VAL 50 1HG1 VAL 50 2.685 -2.287 2.602 410 2HG1 VAL 50 2HG1 VAL 50 4.156 -1.592 3.282 411 3HG1 VAL 50 3HG1 VAL 50 2.642 -0.691 3.350 412 1HG2 VAL 50 1HG2 VAL 50 5.629 -1.234 1.259 413 2HG2 VAL 50 2HG2 VAL 50 5.213 0.315 0.525 414 3HG2 VAL 50 3HG2 VAL 50 5.296 0.164 2.280 415 H CYS 51 H CYS 51 2.253 -3.888 1.010 416 HA CYS 51 HA CYS 51 -0.446 -3.419 0.043 417 1HB CYS 51 1HB CYS 51 0.735 -5.696 1.657 418 2HB CYS 51 2HB CYS 51 -0.899 -5.663 0.998 419 H ALA 52 H ALA 52 -2.033 -2.504 1.210 420 HA ALA 52 HA ALA 52 -1.983 -2.720 4.131 421 1HB ALA 52 1HB ALA 52 -0.962 -0.678 4.205 422 2HB ALA 52 2HB ALA 52 -2.618 -0.116 3.989 423 3HB ALA 52 3HB ALA 52 -1.534 -0.214 2.603 424 H ASP 53 H ASP 53 -3.966 -2.604 5.082 425 HA ASP 53 HA ASP 53 -6.269 -2.622 3.251 426 1HB ASP 53 1HB ASP 53 -5.674 -3.843 5.896 427 2HB ASP 53 2HB ASP 53 -7.339 -3.331 5.624 428 H LYS 54 H LYS 54 -7.862 -1.127 3.353 429 HA LYS 54 HA LYS 54 -7.376 1.385 4.524 430 1HB LYS 54 1HB LYS 54 -9.751 1.880 3.969 431 2HB LYS 54 2HB LYS 54 -8.875 1.157 2.619 432 1HG LYS 54 1HG LYS 54 -9.803 -1.089 3.809 433 2HG LYS 54 2HG LYS 54 -11.084 0.036 4.258 434 1HD LYS 54 1HD LYS 54 -11.729 0.400 2.062 435 2HD LYS 54 2HD LYS 54 -10.125 0.036 1.422 436 1HE LYS 54 1HE LYS 54 -11.443 -1.836 0.806 437 2HE LYS 54 2HE LYS 54 -10.548 -2.376 2.226 438 1HZ LYS 54 1HZ LYS 54 -13.306 -1.278 2.277 439 2HZ LYS 54 2HZ LYS 54 -12.918 -2.931 2.335 440 3HZ LYS 54 3HZ LYS 54 -12.446 -1.900 3.601 441 H SER 55 H SER 55 -8.940 -1.481 5.758 442 HA SER 55 HA SER 55 -10.470 -0.389 7.834 443 1HB SER 55 1HB SER 55 -9.992 -2.916 6.955 444 2HB SER 55 2HB SER 55 -9.078 -2.912 8.459 445 HG SER 55 HG SER 55 -11.105 -3.421 9.066 446 H LYS 56 H LYS 56 -7.024 -0.885 7.550 447 HA LYS 56 HA LYS 56 -6.290 -0.791 10.264 448 1HB LYS 56 1HB LYS 56 -4.758 0.293 7.887 449 2HB LYS 56 2HB LYS 56 -4.083 -0.090 9.470 450 1HG LYS 56 1HG LYS 56 -5.279 -2.443 8.945 451 2HG LYS 56 2HG LYS 56 -4.954 -1.920 7.292 452 1HD LYS 56 1HD LYS 56 -2.931 -2.918 7.714 453 2HD LYS 56 2HD LYS 56 -2.570 -1.331 8.395 454 1HE LYS 56 1HE LYS 56 -3.449 -2.226 10.615 455 2HE LYS 56 2HE LYS 56 -3.430 -3.826 9.874 456 1HZ LYS 56 1HZ LYS 56 -1.019 -3.167 9.255 457 2HZ LYS 56 2HZ LYS 56 -1.176 -2.054 10.528 458 3HZ LYS 56 3HZ LYS 56 -1.359 -3.717 10.823 459 H ASP 57 H ASP 57 -4.682 1.248 10.813 460 HA ASP 57 HA ASP 57 -6.539 3.516 10.991 461 1HB ASP 57 1HB ASP 57 -4.081 2.724 12.543 462 2HB ASP 57 2HB ASP 57 -4.774 4.341 12.667 463 H TRP 58 H TRP 58 -2.999 3.181 10.654 464 HA TRP 58 HA TRP 58 -2.612 5.745 9.577 465 1HB TRP 58 1HB TRP 58 -0.406 4.906 8.802 466 2HB TRP 58 2HB TRP 58 -0.730 4.549 10.494 467 HD1 TRP 58 HD1 TRP 58 -1.272 2.009 11.139 468 HE1 TRP 58 HE1 TRP 58 -0.665 -0.202 9.964 469 HE3 TRP 58 HE3 TRP 58 -0.106 3.772 6.497 470 HZ2 TRP 58 HZ2 TRP 58 0.203 -1.110 7.378 471 HZ3 TRP 58 HZ3 TRP 58 0.606 2.223 4.700 472 HH2 TRP 58 HH2 TRP 58 0.759 -0.210 5.135 473 H VAL 59 H VAL 59 -3.586 2.757 8.078 474 HA VAL 59 HA VAL 59 -3.022 3.546 5.380 475 HB VAL 59 HB VAL 59 -5.057 1.525 6.350 476 1HG1 VAL 59 1HG1 VAL 59 -3.631 1.985 3.718 477 2HG1 VAL 59 2HG1 VAL 59 -4.514 0.507 4.095 478 3HG1 VAL 59 3HG1 VAL 59 -5.367 2.049 4.017 479 1HG2 VAL 59 1HG2 VAL 59 -2.094 1.268 5.756 480 2HG2 VAL 59 2HG2 VAL 59 -2.895 0.971 7.300 481 3HG2 VAL 59 3HG2 VAL 59 -3.183 -0.107 5.934 482 H LYS 60 H LYS 60 -5.692 3.932 7.611 483 HA LYS 60 HA LYS 60 -7.646 4.769 5.719 484 1HB LYS 60 1HB LYS 60 -7.966 3.997 8.173 485 2HB LYS 60 2HB LYS 60 -7.590 5.669 8.590 486 1HG LYS 60 1HG LYS 60 -9.451 6.500 7.336 487 2HG LYS 60 2HG LYS 60 -9.712 4.937 6.561 488 1HD LYS 60 1HD LYS 60 -10.039 4.058 8.998 489 2HD LYS 60 2HD LYS 60 -10.302 5.757 9.396 490 1HE LYS 60 1HE LYS 60 -11.766 4.513 7.082 491 2HE LYS 60 2HE LYS 60 -12.358 4.283 8.727 492 1HZ LYS 60 1HZ LYS 60 -11.818 6.905 7.440 493 2HZ LYS 60 2HZ LYS 60 -13.355 6.222 7.678 494 3HZ LYS 60 3HZ LYS 60 -12.413 6.674 9.014 495 H LYS 61 H LYS 61 -5.386 6.518 7.829 496 HA LYS 61 HA LYS 61 -6.221 9.128 7.187 497 1HB LYS 61 1HB LYS 61 -4.492 8.223 8.977 498 2HB LYS 61 2HB LYS 61 -3.328 8.580 7.700 499 1HG LYS 61 1HG LYS 61 -3.478 10.585 8.969 500 2HG LYS 61 2HG LYS 61 -4.458 10.880 7.532 501 1HD LYS 61 1HD LYS 61 -5.915 11.588 9.200 502 2HD LYS 61 2HD LYS 61 -6.399 9.900 9.034 503 1HE LYS 61 1HE LYS 61 -6.119 10.034 11.335 504 2HE LYS 61 2HE LYS 61 -4.508 9.511 10.844 505 1HZ LYS 61 1HZ LYS 61 -3.975 11.969 10.703 506 2HZ LYS 61 2HZ LYS 61 -5.411 12.233 11.567 507 3HZ LYS 61 3HZ LYS 61 -4.159 11.317 12.261 508 H LEU 62 H LEU 62 -3.762 7.038 5.711 509 HA LEU 62 HA LEU 62 -2.783 8.895 3.825 510 1HB LEU 62 1HB LEU 62 -2.991 5.895 3.619 511 2HB LEU 62 2HB LEU 62 -2.053 6.913 2.549 512 HG LEU 62 HG LEU 62 -1.492 7.037 5.483 513 1HD1 LEU 62 1HD1 LEU 62 -0.942 4.739 3.629 514 2HD1 LEU 62 2HD1 LEU 62 0.236 5.149 4.878 515 3HD1 LEU 62 3HD1 LEU 62 -1.413 4.712 5.328 516 1HD2 LEU 62 1HD2 LEU 62 -0.028 7.427 2.880 517 2HD2 LEU 62 2HD2 LEU 62 -0.186 8.541 4.236 518 3HD2 LEU 62 3HD2 LEU 62 0.874 7.137 4.367 519 H MET 63 H MET 63 -5.378 6.506 3.665 520 HA MET 63 HA MET 63 -6.119 6.746 0.991 521 1HB MET 63 1HB MET 63 -7.651 6.092 3.486 522 2HB MET 63 2HB MET 63 -8.499 6.262 1.950 523 1HG MET 63 1HG MET 63 -6.459 4.692 1.145 524 2HG MET 63 2HG MET 63 -6.562 4.179 2.828 525 1HE MET 63 1HE MET 63 -7.054 3.394 -0.245 526 2HE MET 63 2HE MET 63 -7.477 1.827 0.439 527 3HE MET 63 3HE MET 63 -8.633 2.673 -0.587 528 H GLN 64 H GLN 64 -6.868 8.811 3.732 529 HA GLN 64 HA GLN 64 -8.675 10.484 2.176 530 1HB GLN 64 1HB GLN 64 -7.566 10.853 4.971 531 2HB GLN 64 2HB GLN 64 -8.831 11.834 4.230 532 1HG GLN 64 1HG GLN 64 -10.248 9.826 3.986 533 2HG GLN 64 2HG GLN 64 -8.986 8.847 4.736 534 2HE2 GLN 64 2HE2 GLN 64 -10.734 11.927 5.475 535 1HE2 GLN 64 1HE2 GLN 64 -10.946 11.573 7.122 536 H GLN 65 H GLN 65 -5.354 10.469 3.287 537 HA GLN 65 HA GLN 65 -4.790 13.207 2.690 538 1HB GLN 65 1HB GLN 65 -3.167 10.780 3.335 539 2HB GLN 65 2HB GLN 65 -2.357 12.179 2.633 540 1HG GLN 65 1HG GLN 65 -3.876 13.408 4.519 541 2HG GLN 65 2HG GLN 65 -3.596 11.856 5.309 542 2HE2 GLN 65 2HE2 GLN 65 -2.049 14.821 4.215 543 1HE2 GLN 65 1HE2 GLN 65 -0.524 14.489 4.884 544 H LEU 66 H LEU 66 -4.645 10.187 0.895 545 HA LEU 66 HA LEU 66 -3.779 11.709 -1.493 546 1HB LEU 66 1HB LEU 66 -3.517 8.738 -1.247 547 2HB LEU 66 2HB LEU 66 -2.655 9.835 -2.305 548 HG LEU 66 HG LEU 66 -2.265 9.781 0.693 549 1HD1 LEU 66 1HD1 LEU 66 -1.672 7.594 -0.330 550 2HD1 LEU 66 2HD1 LEU 66 -0.625 8.432 -1.476 551 3HD1 LEU 66 3HD1 LEU 66 -0.247 8.457 0.248 552 1HD2 LEU 66 1HD2 LEU 66 -1.602 11.730 -1.051 553 2HD2 LEU 66 2HD2 LEU 66 -0.594 11.321 0.338 554 3HD2 LEU 66 3HD2 LEU 66 -0.200 10.681 -1.256 555 HA PRO 67 HA PRO 67 -7.688 10.501 -3.165 556 1HB PRO 67 1HB PRO 67 -7.199 10.902 -5.829 557 2HB PRO 67 2HB PRO 67 -7.463 12.210 -4.666 558 1HG PRO 67 1HG PRO 67 -4.948 11.311 -5.946 559 2HG PRO 67 2HG PRO 67 -5.385 12.906 -5.316 560 1HD PRO 67 1HD PRO 67 -3.738 10.987 -4.031 561 2HD PRO 67 2HD PRO 67 -4.412 12.461 -3.297 562 H VAL 68 H VAL 68 -5.749 9.444 -5.944 563 HA VAL 68 HA VAL 68 -5.385 6.768 -5.355 564 HB VAL 68 HB VAL 68 -8.135 7.248 -5.519 565 1HG1 VAL 68 1HG1 VAL 68 -7.909 7.424 -8.026 566 2HG1 VAL 68 2HG1 VAL 68 -7.361 5.749 -8.030 567 3HG1 VAL 68 3HG1 VAL 68 -8.987 6.142 -7.473 568 1HG2 VAL 68 1HG2 VAL 68 -6.605 4.670 -5.930 569 2HG2 VAL 68 2HG2 VAL 68 -7.038 5.387 -4.379 570 3HG2 VAL 68 3HG2 VAL 68 -8.300 4.785 -5.453 571 H THR 69 H THR 69 -4.301 5.749 -6.993 572 HA THR 69 HA THR 69 -3.722 7.406 -9.339 573 HB THR 69 HB THR 69 -1.768 6.584 -8.189 574 HG1 THR 69 HG1 THR 69 -0.818 5.492 -9.903 575 1HG2 THR 69 1HG2 THR 69 -3.144 3.908 -8.451 576 2HG2 THR 69 2HG2 THR 69 -1.419 4.049 -8.114 577 3HG2 THR 69 3HG2 THR 69 -2.595 4.707 -6.978 578 H ALA 70 H ALA 70 -5.202 4.366 -8.441 579 HA ALA 70 HA ALA 70 -6.196 4.084 -11.183 580 1HB ALA 70 1HB ALA 70 -5.760 1.497 -10.739 581 2HB ALA 70 2HB ALA 70 -4.531 2.523 -11.480 582 3HB ALA 70 3HB ALA 70 -4.439 2.138 -9.761 583 H ARG 71 H ARG 71 -8.152 2.971 -11.343 584 HA ARG 71 HA ARG 71 -9.375 1.794 -8.993 585 1HB ARG 71 1HB ARG 71 -9.702 4.358 -8.861 586 2HB ARG 71 2HB ARG 71 -10.821 4.138 -10.208 587 1HG ARG 71 1HG ARG 71 -11.129 2.279 -7.904 588 2HG ARG 71 2HG ARG 71 -11.606 3.957 -7.637 589 1HD ARG 71 1HD ARG 71 -13.583 3.204 -8.517 590 2HD ARG 71 2HD ARG 71 -12.764 3.573 -10.030 591 HE ARG 71 HE ARG 71 -12.792 1.312 -10.496 592 1HH1 ARG 71 1HH1 ARG 71 -13.062 1.758 -7.034 593 2HH1 ARG 71 2HH1 ARG 71 -13.266 0.071 -6.718 594 1HH2 ARG 71 1HH2 ARG 71 -13.059 -0.880 -10.039 595 2HH2 ARG 71 2HH2 ARG 71 -13.265 -1.412 -8.403 No H/Q in entry = 595 Start of MODEL 5 1 H1 LEU 1 H1 LEU 1 -0.487 -28.744 -17.713 2 H2 LEU 1 H2 LEU 1 -0.423 -27.212 -18.437 3 H3 LEU 1 H3 LEU 1 0.663 -28.424 -18.923 4 HA LEU 1 HA LEU 1 1.712 -28.411 -16.757 5 1HB LEU 1 1HB LEU 1 2.046 -26.581 -18.740 6 2HB LEU 1 2HB LEU 1 1.633 -25.511 -17.403 7 HG LEU 1 HG LEU 1 4.066 -25.831 -17.523 8 1HD1 LEU 1 1HD1 LEU 1 2.956 -25.581 -15.299 9 2HD1 LEU 1 2HD1 LEU 1 2.901 -27.339 -15.165 10 3HD1 LEU 1 3HD1 LEU 1 4.456 -26.507 -15.217 11 1HD2 LEU 1 1HD2 LEU 1 3.714 -28.224 -18.518 12 2HD2 LEU 1 2HD2 LEU 1 5.114 -27.930 -17.487 13 3HD2 LEU 1 3HD2 LEU 1 3.688 -28.738 -16.831 14 H GLY 2 H GLY 2 0.699 -28.684 -14.841 15 1HA GLY 2 1HA GLY 2 -0.527 -28.216 -12.939 16 2HA GLY 2 2HA GLY 2 -1.412 -27.018 -13.879 17 H ALA 3 H ALA 3 1.783 -27.549 -12.391 18 HA ALA 3 HA ALA 3 3.194 -26.137 -11.249 19 1HB ALA 3 1HB ALA 3 2.886 -23.606 -12.002 20 2HB ALA 3 2HB ALA 3 1.979 -24.359 -13.315 21 3HB ALA 3 3HB ALA 3 3.669 -24.785 -13.053 22 H SER 4 H SER 4 2.306 -26.420 -9.216 23 HA SER 4 HA SER 4 -0.033 -25.163 -8.257 24 1HB SER 4 1HB SER 4 2.314 -25.832 -6.496 25 2HB SER 4 2HB SER 4 0.596 -25.911 -6.118 26 HG SER 4 HG SER 4 1.422 -27.979 -6.538 27 H TRP 5 H TRP 5 -0.234 -23.410 -6.762 28 HA TRP 5 HA TRP 5 1.126 -21.064 -7.551 29 1HB TRP 5 1HB TRP 5 0.042 -20.032 -5.543 30 2HB TRP 5 2HB TRP 5 -1.085 -20.904 -6.582 31 HD1 TRP 5 HD1 TRP 5 -2.267 -23.012 -5.622 32 HE1 TRP 5 HE1 TRP 5 -2.340 -24.104 -3.288 33 HE3 TRP 5 HE3 TRP 5 1.535 -20.476 -3.342 34 HZ2 TRP 5 HZ2 TRP 5 -0.966 -23.927 -0.785 35 HZ3 TRP 5 HZ3 TRP 5 2.131 -20.957 -0.986 36 HH2 TRP 5 HH2 TRP 5 0.886 -22.678 0.295 37 H HIS 6 H HIS 6 2.291 -19.612 -5.986 38 HA HIS 6 HA HIS 6 3.764 -20.806 -3.827 39 1HB HIS 6 1HB HIS 6 5.012 -20.561 -6.527 40 2HB HIS 6 2HB HIS 6 5.997 -20.168 -5.118 41 HD1 HIS 6 HD1 HIS 6 5.899 -22.120 -3.154 42 HD2 HIS 6 HD2 HIS 6 4.916 -23.274 -7.039 43 HE1 HIS 6 HE1 HIS 6 6.095 -24.644 -3.223 44 H ARG 7 H ARG 7 3.697 -18.220 -6.245 45 HA ARG 7 HA ARG 7 3.756 -16.226 -4.116 46 1HB ARG 7 1HB ARG 7 6.007 -16.690 -6.016 47 2HB ARG 7 2HB ARG 7 5.573 -15.020 -5.650 48 1HG ARG 7 1HG ARG 7 5.616 -15.762 -3.171 49 2HG ARG 7 2HG ARG 7 6.496 -17.175 -3.753 50 1HD ARG 7 1HD ARG 7 8.002 -15.438 -4.976 51 2HD ARG 7 2HD ARG 7 7.308 -14.279 -3.848 52 HE ARG 7 HE ARG 7 9.235 -16.343 -3.233 53 1HH1 ARG 7 1HH1 ARG 7 6.688 -14.314 -1.947 54 2HH1 ARG 7 2HH1 ARG 7 7.281 -14.401 -0.325 55 1HH2 ARG 7 1HH2 ARG 7 9.974 -16.432 -1.105 56 2HH2 ARG 7 2HH2 ARG 7 9.126 -15.590 0.150 57 HA PRO 8 HA PRO 8 1.135 -14.972 -7.669 58 1HB PRO 8 1HB PRO 8 -1.035 -14.238 -6.181 59 2HB PRO 8 2HB PRO 8 -0.733 -15.895 -6.727 60 1HG PRO 8 1HG PRO 8 -0.477 -14.736 -4.019 61 2HG PRO 8 2HG PRO 8 -0.764 -16.413 -4.506 62 1HD PRO 8 1HD PRO 8 1.710 -15.288 -3.655 63 2HD PRO 8 2HD PRO 8 1.459 -16.907 -4.346 64 H ASP 9 H ASP 9 2.511 -13.161 -8.044 65 HA ASP 9 HA ASP 9 2.573 -10.859 -6.366 66 1HB ASP 9 1HB ASP 9 3.314 -11.268 -9.269 67 2HB ASP 9 2HB ASP 9 3.550 -9.744 -8.413 68 H LYS 10 H LYS 10 0.325 -10.479 -5.964 69 HA LYS 10 HA LYS 10 -0.803 -8.452 -7.565 70 1HB LYS 10 1HB LYS 10 -1.221 -10.685 -8.907 71 2HB LYS 10 2HB LYS 10 -2.525 -10.891 -7.737 72 1HG LYS 10 1HG LYS 10 -3.411 -9.715 -9.665 73 2HG LYS 10 2HG LYS 10 -3.326 -8.584 -8.314 74 1HD LYS 10 1HD LYS 10 -1.512 -7.432 -9.213 75 2HD LYS 10 2HD LYS 10 -0.987 -8.811 -10.180 76 1HE LYS 10 1HE LYS 10 -2.717 -8.488 -11.776 77 2HE LYS 10 2HE LYS 10 -3.607 -7.402 -10.707 78 1HZ LYS 10 1HZ LYS 10 -1.750 -5.831 -10.871 79 2HZ LYS 10 2HZ LYS 10 -0.978 -6.862 -11.976 80 3HZ LYS 10 3HZ LYS 10 -2.461 -6.141 -12.383 81 H CYS 11 H CYS 11 -2.168 -11.225 -5.803 82 HA CYS 11 HA CYS 11 -3.575 -9.334 -4.030 83 1HB CYS 11 1HB CYS 11 -3.999 -12.324 -4.259 84 2HB CYS 11 2HB CYS 11 -5.044 -11.153 -3.458 85 H CYS 12 H CYS 12 -1.431 -8.938 -2.999 86 HA CYS 12 HA CYS 12 -0.022 -10.927 -1.583 87 1HB CYS 12 1HB CYS 12 0.875 -9.025 -0.233 88 2HB CYS 12 2HB CYS 12 0.998 -8.767 -1.972 89 H LEU 13 H LEU 13 -0.392 -11.946 0.277 90 HA LEU 13 HA LEU 13 -2.891 -11.480 1.676 91 1HB LEU 13 1HB LEU 13 -0.745 -13.377 2.559 92 2HB LEU 13 2HB LEU 13 -2.473 -13.482 2.822 93 HG LEU 13 HG LEU 13 -1.434 -13.631 0.018 94 1HD1 LEU 13 1HD1 LEU 13 -0.039 -15.164 1.474 95 2HD1 LEU 13 2HD1 LEU 13 -1.531 -16.002 1.902 96 3HD1 LEU 13 3HD1 LEU 13 -0.976 -15.988 0.228 97 1HD2 LEU 13 1HD2 LEU 13 -3.742 -14.813 1.589 98 2HD2 LEU 13 2HD2 LEU 13 -3.827 -13.609 0.304 99 3HD2 LEU 13 3HD2 LEU 13 -3.373 -15.270 -0.074 100 H GLY 14 H GLY 14 0.542 -10.982 2.194 101 1HA GLY 14 1HA GLY 14 1.710 -10.128 4.024 102 2HA GLY 14 2HA GLY 14 0.223 -10.194 4.968 103 H TYR 15 H TYR 15 1.418 -8.023 5.533 104 HA TYR 15 HA TYR 15 0.758 -5.885 3.641 105 1HB TYR 15 1HB TYR 15 -0.384 -6.041 6.440 106 2HB TYR 15 2HB TYR 15 -0.454 -4.615 5.406 107 HD1 TYR 15 HD1 TYR 15 -1.602 -8.109 5.817 108 HD2 TYR 15 HD2 TYR 15 -1.936 -4.505 3.506 109 HE1 TYR 15 HE1 TYR 15 -3.616 -9.018 4.690 110 HE2 TYR 15 HE2 TYR 15 -3.949 -5.412 2.380 111 HH TYR 15 HH TYR 15 -4.877 -7.758 1.888 112 H GLN 16 H GLN 16 1.254 -3.690 4.950 113 HA GLN 16 HA GLN 16 4.040 -3.615 5.303 114 1HB GLN 16 1HB GLN 16 2.607 -1.635 4.745 115 2HB GLN 16 2HB GLN 16 2.039 -1.634 6.410 116 1HG GLN 16 1HG GLN 16 3.873 -0.034 6.163 117 2HG GLN 16 2HG GLN 16 4.382 -1.371 7.191 118 2HE2 GLN 16 2HE2 GLN 16 6.614 -0.504 6.405 119 1HE2 GLN 16 1HE2 GLN 16 7.220 -1.162 4.962 120 H LYS 17 H LYS 17 1.440 -3.426 7.703 121 HA LYS 17 HA LYS 17 1.342 -4.309 9.853 122 1HB LYS 17 1HB LYS 17 3.340 -5.830 9.157 123 2HB LYS 17 2HB LYS 17 4.325 -4.637 10.005 124 1HG LYS 17 1HG LYS 17 3.449 -5.171 12.067 125 2HG LYS 17 2HG LYS 17 1.882 -5.628 11.399 126 1HD LYS 17 1HD LYS 17 3.046 -7.644 10.366 127 2HD LYS 17 2HD LYS 17 4.443 -7.236 11.363 128 1HE LYS 17 1HE LYS 17 1.669 -7.645 12.501 129 2HE LYS 17 2HE LYS 17 2.863 -8.938 12.385 130 1HZ LYS 17 1HZ LYS 17 3.436 -6.355 13.716 131 2HZ LYS 17 2HZ LYS 17 2.785 -7.684 14.550 132 3HZ LYS 17 3HZ LYS 17 4.312 -7.807 13.823 133 H ARG 18 H ARG 18 4.039 -2.165 9.019 134 HA ARG 18 HA ARG 18 3.547 -0.667 11.512 135 1HB ARG 18 1HB ARG 18 5.764 0.395 11.032 136 2HB ARG 18 2HB ARG 18 5.864 -1.347 11.295 137 1HG ARG 18 1HG ARG 18 6.011 -1.776 8.931 138 2HG ARG 18 2HG ARG 18 5.637 -0.095 8.547 139 1HD ARG 18 1HD ARG 18 8.003 -0.305 8.316 140 2HD ARG 18 2HD ARG 18 7.735 0.540 9.837 141 HE ARG 18 HE ARG 18 7.880 -2.239 10.341 142 1HH1 ARG 18 1HH1 ARG 18 9.912 0.439 9.366 143 2HH1 ARG 18 2HH1 ARG 18 11.346 -0.257 10.038 144 1HH2 ARG 18 1HH2 ARG 18 9.773 -3.111 11.202 145 2HH2 ARG 18 2HH2 ARG 18 11.270 -2.250 11.069 146 HA PRO 19 HA PRO 19 1.947 2.613 9.016 147 1HB PRO 19 1HB PRO 19 2.236 4.705 10.748 148 2HB PRO 19 2HB PRO 19 1.019 3.434 10.933 149 1HG PRO 19 1HG PRO 19 3.481 3.901 12.485 150 2HG PRO 19 2HG PRO 19 2.015 3.021 12.936 151 1HD PRO 19 1HD PRO 19 4.505 1.902 12.076 152 2HD PRO 19 2HD PRO 19 2.987 1.032 12.404 153 H LEU 20 H LEU 20 2.669 3.905 7.418 154 HA LEU 20 HA LEU 20 5.443 4.919 7.595 155 1HB LEU 20 1HB LEU 20 4.069 4.905 4.976 156 2HB LEU 20 2HB LEU 20 5.733 4.544 5.373 157 HG LEU 20 HG LEU 20 3.350 2.696 5.589 158 1HD1 LEU 20 1HD1 LEU 20 5.764 2.943 3.818 159 2HD1 LEU 20 2HD1 LEU 20 5.049 1.356 4.099 160 3HD1 LEU 20 3HD1 LEU 20 4.085 2.641 3.373 161 1HD2 LEU 20 1HD2 LEU 20 6.029 2.630 6.873 162 2HD2 LEU 20 2HD2 LEU 20 4.517 1.881 7.386 163 3HD2 LEU 20 3HD2 LEU 20 5.492 1.126 6.125 164 HA PRO 21 HA PRO 21 3.765 9.015 7.372 165 1HB PRO 21 1HB PRO 21 5.976 10.378 6.514 166 2HB PRO 21 2HB PRO 21 5.792 9.738 8.156 167 1HG PRO 21 1HG PRO 21 7.496 8.761 5.947 168 2HG PRO 21 2HG PRO 21 7.687 8.557 7.693 169 1HD PRO 21 1HD PRO 21 6.682 6.628 5.848 170 2HD PRO 21 2HD PRO 21 6.697 6.503 7.623 171 H GLN 22 H GLN 22 2.562 10.120 5.915 172 HA GLN 22 HA GLN 22 2.538 9.418 3.162 173 1HB GLN 22 1HB GLN 22 0.602 10.353 4.538 174 2HB GLN 22 2HB GLN 22 1.349 11.936 4.320 175 1HG GLN 22 1HG GLN 22 1.373 10.905 1.750 176 2HG GLN 22 2HG GLN 22 -0.149 10.293 2.395 177 2HE2 GLN 22 2HE2 GLN 22 0.537 12.591 0.422 178 1HE2 GLN 22 1HE2 GLN 22 -0.333 13.912 1.038 179 H VAL 23 H VAL 23 4.531 11.574 4.918 180 HA VAL 23 HA VAL 23 4.966 13.679 3.182 181 HB VAL 23 HB VAL 23 5.925 13.525 5.451 182 1HG1 VAL 23 1HG1 VAL 23 6.702 11.022 4.789 183 2HG1 VAL 23 2HG1 VAL 23 8.212 11.884 4.500 184 3HG1 VAL 23 3HG1 VAL 23 7.452 11.945 6.090 185 1HG2 VAL 23 1HG2 VAL 23 6.894 15.064 3.728 186 2HG2 VAL 23 2HG2 VAL 23 8.063 14.554 4.947 187 3HG2 VAL 23 3HG2 VAL 23 8.082 13.819 3.344 188 H LEU 24 H LEU 24 6.144 10.401 3.000 189 HA LEU 24 HA LEU 24 7.707 11.049 0.583 190 1HB LEU 24 1HB LEU 24 8.687 8.841 0.839 191 2HB LEU 24 2HB LEU 24 8.868 9.766 2.315 192 HG LEU 24 HG LEU 24 6.700 8.500 3.059 193 1HD1 LEU 24 1HD1 LEU 24 7.275 7.284 0.491 194 2HD1 LEU 24 2HD1 LEU 24 7.365 6.076 1.773 195 3HD1 LEU 24 3HD1 LEU 24 5.896 7.028 1.558 196 1HD2 LEU 24 1HD2 LEU 24 8.951 8.254 4.053 197 2HD2 LEU 24 2HD2 LEU 24 8.107 6.707 3.972 198 3HD2 LEU 24 3HD2 LEU 24 9.368 7.087 2.798 199 H LEU 25 H LEU 25 5.000 9.223 1.819 200 HA LEU 25 HA LEU 25 4.505 7.511 -0.332 201 1HB LEU 25 1HB LEU 25 3.326 7.889 2.039 202 2HB LEU 25 2HB LEU 25 2.175 8.736 1.032 203 HG LEU 25 HG LEU 25 1.721 6.726 -0.237 204 1HD1 LEU 25 1HD1 LEU 25 4.121 5.720 1.260 205 2HD1 LEU 25 2HD1 LEU 25 2.878 4.572 0.760 206 3HD1 LEU 25 3HD1 LEU 25 3.717 5.545 -0.449 207 1HD2 LEU 25 1HD2 LEU 25 1.612 6.693 2.741 208 2HD2 LEU 25 2HD2 LEU 25 0.298 6.613 1.568 209 3HD2 LEU 25 3HD2 LEU 25 1.257 5.175 1.917 210 H SER 26 H SER 26 3.064 7.606 -2.068 211 HA SER 26 HA SER 26 2.589 10.351 -3.073 212 1HB SER 26 1HB SER 26 4.136 8.487 -4.269 213 2HB SER 26 2HB SER 26 2.581 8.097 -4.995 214 HG SER 26 HG SER 26 3.416 9.680 -6.251 215 H SER 27 H SER 27 1.319 7.093 -3.833 216 HA SER 27 HA SER 27 -1.399 7.996 -3.212 217 1HB SER 27 1HB SER 27 -2.292 7.559 -5.378 218 2HB SER 27 2HB SER 27 -0.881 8.577 -5.637 219 HG SER 27 HG SER 27 -1.342 5.949 -6.323 220 H TRP 28 H TRP 28 -2.784 5.899 -4.385 221 HA TRP 28 HA TRP 28 -1.539 3.383 -3.591 222 1HB TRP 28 1HB TRP 28 -3.475 2.823 -2.077 223 2HB TRP 28 2HB TRP 28 -2.398 4.065 -1.443 224 HD1 TRP 28 HD1 TRP 28 -3.252 6.599 -1.506 225 HE1 TRP 28 HE1 TRP 28 -5.626 7.597 -1.583 226 HE3 TRP 28 HE3 TRP 28 -5.904 2.469 -2.948 227 HZ2 TRP 28 HZ2 TRP 28 -8.293 6.754 -2.184 228 HZ3 TRP 28 HZ3 TRP 28 -8.354 2.602 -3.268 229 HH2 TRP 28 HH2 TRP 28 -9.553 4.737 -2.884 230 H TYR 29 H TYR 29 -2.424 1.641 -4.632 231 HA TYR 29 HA TYR 29 -4.842 2.175 -6.243 232 1HB TYR 29 1HB TYR 29 -3.959 0.887 -8.075 233 2HB TYR 29 2HB TYR 29 -2.772 2.110 -7.642 234 HD1 TYR 29 HD1 TYR 29 -0.812 1.406 -6.108 235 HD2 TYR 29 HD2 TYR 29 -3.403 -1.397 -8.081 236 HE1 TYR 29 HE1 TYR 29 0.891 -0.369 -5.827 237 HE2 TYR 29 HE2 TYR 29 -1.697 -3.173 -7.796 238 HH TYR 29 HH TYR 29 1.264 -2.824 -7.377 239 HA PRO 30 HA PRO 30 -6.273 -1.466 -4.131 240 1HB PRO 30 1HB PRO 30 -8.634 -1.793 -5.463 241 2HB PRO 30 2HB PRO 30 -8.360 -0.547 -4.236 242 1HG PRO 30 1HG PRO 30 -8.577 -0.275 -7.172 243 2HG PRO 30 2HG PRO 30 -8.888 0.919 -5.903 244 1HD PRO 30 1HD PRO 30 -6.562 0.734 -7.538 245 2HD PRO 30 2HD PRO 30 -6.795 1.794 -6.129 246 H THR 31 H THR 31 -6.500 -3.700 -4.389 247 HA THR 31 HA THR 31 -5.613 -4.745 -7.000 248 HB THR 31 HB THR 31 -4.169 -5.406 -5.185 249 HG1 THR 31 HG1 THR 31 -4.457 -7.668 -5.306 250 1HG2 THR 31 1HG2 THR 31 -6.765 -5.858 -3.814 251 2HG2 THR 31 2HG2 THR 31 -5.461 -6.980 -3.428 252 3HG2 THR 31 3HG2 THR 31 -5.241 -5.250 -3.169 253 H SER 32 H SER 32 -6.445 -7.125 -7.291 254 HA SER 32 HA SER 32 -9.240 -6.958 -7.771 255 1HB SER 32 1HB SER 32 -7.952 -9.634 -7.671 256 2HB SER 32 2HB SER 32 -9.007 -8.935 -8.895 257 HG SER 32 HG SER 32 -6.266 -8.856 -8.643 258 H GLN 33 H GLN 33 -10.968 -7.983 -6.783 259 HA GLN 33 HA GLN 33 -10.502 -8.766 -3.991 260 1HB GLN 33 1HB GLN 33 -12.989 -8.468 -3.798 261 2HB GLN 33 2HB GLN 33 -12.108 -6.997 -4.190 262 1HG GLN 33 1HG GLN 33 -12.971 -6.890 -6.316 263 2HG GLN 33 2HG GLN 33 -13.063 -8.642 -6.480 264 2HE2 GLN 33 2HE2 GLN 33 -15.309 -8.683 -7.113 265 1HE2 GLN 33 1HE2 GLN 33 -16.555 -8.257 -6.042 266 H LEU 34 H LEU 34 -10.057 -10.531 -6.362 267 HA LEU 34 HA LEU 34 -11.989 -12.660 -5.655 268 1HB LEU 34 1HB LEU 34 -10.480 -12.502 -8.254 269 2HB LEU 34 2HB LEU 34 -11.827 -13.543 -7.854 270 HG LEU 34 HG LEU 34 -12.687 -11.901 -9.325 271 1HD1 LEU 34 1HD1 LEU 34 -13.839 -12.280 -6.971 272 2HD1 LEU 34 2HD1 LEU 34 -13.413 -10.586 -6.733 273 3HD1 LEU 34 3HD1 LEU 34 -14.451 -11.053 -8.080 274 1HD2 LEU 34 1HD2 LEU 34 -10.618 -10.365 -8.744 275 2HD2 LEU 34 2HD2 LEU 34 -12.113 -9.647 -9.343 276 3HD2 LEU 34 3HD2 LEU 34 -11.751 -9.619 -7.617 277 H CYS 35 H CYS 35 -9.776 -12.259 -4.088 278 HA CYS 35 HA CYS 35 -8.112 -14.607 -4.769 279 1HB CYS 35 1HB CYS 35 -7.191 -11.924 -3.738 280 2HB CYS 35 2HB CYS 35 -6.190 -13.373 -3.698 281 H SER 36 H SER 36 -10.344 -13.526 -2.659 282 HA SER 36 HA SER 36 -10.908 -14.018 -0.497 283 1HB SER 36 1HB SER 36 -10.381 -16.148 0.297 284 2HB SER 36 2HB SER 36 -10.216 -16.341 -1.444 285 HG SER 36 HG SER 36 -8.421 -16.875 0.336 286 H LYS 37 H LYS 37 -8.471 -12.253 -1.183 287 HA LYS 37 HA LYS 37 -7.810 -11.566 1.492 288 1HB LYS 37 1HB LYS 37 -6.109 -13.539 0.196 289 2HB LYS 37 2HB LYS 37 -5.199 -12.076 0.562 290 1HG LYS 37 1HG LYS 37 -6.927 -13.569 2.557 291 2HG LYS 37 2HG LYS 37 -5.171 -13.708 2.444 292 1HD LYS 37 1HD LYS 37 -5.379 -11.025 2.577 293 2HD LYS 37 2HD LYS 37 -6.831 -11.465 3.477 294 1HE LYS 37 1HE LYS 37 -4.030 -12.476 4.055 295 2HE LYS 37 2HE LYS 37 -4.890 -11.250 4.986 296 1HZ LYS 37 1HZ LYS 37 -6.604 -12.877 5.481 297 2HZ LYS 37 2HZ LYS 37 -5.773 -14.057 4.586 298 3HZ LYS 37 3HZ LYS 37 -5.089 -13.426 6.007 299 HA PRO 38 HA PRO 38 -7.067 -8.482 -1.927 300 1HB PRO 38 1HB PRO 38 -9.199 -6.845 -1.453 301 2HB PRO 38 2HB PRO 38 -9.255 -8.246 -2.531 302 1HG PRO 38 1HG PRO 38 -10.428 -7.906 0.161 303 2HG PRO 38 2HG PRO 38 -10.914 -8.987 -1.153 304 1HD PRO 38 1HD PRO 38 -9.412 -9.687 1.166 305 2HD PRO 38 2HD PRO 38 -9.734 -10.715 -0.250 306 H GLY 39 H GLY 39 -7.468 -5.868 -1.553 307 1HA GLY 39 1HA GLY 39 -5.685 -5.214 0.647 308 2HA GLY 39 2HA GLY 39 -7.300 -4.513 0.763 309 H VAL 40 H VAL 40 -4.619 -3.248 0.322 310 HA VAL 40 HA VAL 40 -4.795 -2.257 -2.415 311 HB VAL 40 HB VAL 40 -4.985 -0.298 -0.115 312 1HG1 VAL 40 1HG1 VAL 40 -4.016 0.101 -2.616 313 2HG1 VAL 40 2HG1 VAL 40 -5.729 0.395 -2.898 314 3HG1 VAL 40 3HG1 VAL 40 -4.859 1.340 -1.692 315 1HG2 VAL 40 1HG2 VAL 40 -7.114 -1.392 -1.970 316 2HG2 VAL 40 2HG2 VAL 40 -7.093 -1.469 -0.208 317 3HG2 VAL 40 3HG2 VAL 40 -7.314 0.081 -1.020 318 H ILE 41 H ILE 41 -2.903 -1.524 -3.183 319 HA ILE 41 HA ILE 41 -0.581 -1.693 -1.384 320 HB ILE 41 HB ILE 41 -0.891 -1.914 -4.383 321 1HG1 ILE 41 1HG1 ILE 41 0.326 -4.103 -3.834 322 2HG1 ILE 41 2HG1 ILE 41 -0.019 -3.736 -2.144 323 1HG2 ILE 41 1HG2 ILE 41 1.158 -0.582 -3.874 324 2HG2 ILE 41 2HG2 ILE 41 1.707 -1.880 -2.814 325 3HG2 ILE 41 3HG2 ILE 41 1.542 -2.167 -4.545 326 1HD1 ILE 41 1HD1 ILE 41 -2.277 -3.568 -4.093 327 2HD1 ILE 41 2HD1 ILE 41 -1.715 -5.172 -3.618 328 3HD1 ILE 41 3HD1 ILE 41 -2.294 -4.043 -2.394 329 H PHE 42 H PHE 42 0.701 0.038 -1.011 330 HA PHE 42 HA PHE 42 -0.229 2.627 -2.055 331 1HB PHE 42 1HB PHE 42 1.094 1.723 0.439 332 2HB PHE 42 2HB PHE 42 1.628 3.282 -0.185 333 HD1 PHE 42 HD1 PHE 42 -1.258 1.359 1.088 334 HD2 PHE 42 HD2 PHE 42 0.133 5.185 -0.279 335 HE1 PHE 42 HE1 PHE 42 -3.317 2.424 1.971 336 HE2 PHE 42 HE2 PHE 42 -1.925 6.249 0.602 337 HZ PHE 42 HZ PHE 42 -3.649 4.870 1.730 338 H LEU 43 H LEU 43 0.873 3.618 -3.594 339 HA LEU 43 HA LEU 43 3.592 2.690 -4.235 340 1HB LEU 43 1HB LEU 43 1.796 4.537 -5.802 341 2HB LEU 43 2HB LEU 43 3.305 3.840 -6.347 342 HG LEU 43 HG LEU 43 1.130 1.963 -5.544 343 1HD1 LEU 43 1HD1 LEU 43 1.168 3.570 -8.116 344 2HD1 LEU 43 2HD1 LEU 43 0.171 2.142 -7.845 345 3HD1 LEU 43 3HD1 LEU 43 -0.091 3.596 -6.883 346 1HD2 LEU 43 1HD2 LEU 43 3.569 1.510 -6.451 347 2HD2 LEU 43 2HD2 LEU 43 2.221 0.525 -7.020 348 3HD2 LEU 43 3HD2 LEU 43 2.831 1.846 -8.016 349 H THR 44 H THR 44 4.980 3.750 -2.892 350 HA THR 44 HA THR 44 4.656 6.402 -1.976 351 HB THR 44 HB THR 44 7.043 6.254 -1.351 352 HG1 THR 44 HG1 THR 44 7.507 4.950 -3.352 353 1HG2 THR 44 1HG2 THR 44 5.117 4.038 -0.811 354 2HG2 THR 44 2HG2 THR 44 6.768 3.867 -0.217 355 3HG2 THR 44 3HG2 THR 44 5.785 5.237 0.293 356 H LYS 45 H LYS 45 6.326 8.156 -2.474 357 HA LYS 45 HA LYS 45 6.018 8.982 -5.153 358 1HB LYS 45 1HB LYS 45 7.766 9.925 -2.893 359 2HB LYS 45 2HB LYS 45 7.895 10.640 -4.501 360 1HG LYS 45 1HG LYS 45 5.794 11.591 -4.403 361 2HG LYS 45 2HG LYS 45 5.162 10.337 -3.336 362 1HD LYS 45 1HD LYS 45 5.375 11.917 -1.714 363 2HD LYS 45 2HD LYS 45 7.080 11.466 -1.739 364 1HE LYS 45 1HE LYS 45 7.318 13.219 -3.624 365 2HE LYS 45 2HE LYS 45 5.742 13.807 -3.096 366 1HZ LYS 45 1HZ LYS 45 6.706 13.933 -0.813 367 2HZ LYS 45 2HZ LYS 45 8.231 13.626 -1.497 368 3HZ LYS 45 3HZ LYS 45 7.378 15.027 -1.926 369 H ARG 46 H ARG 46 8.984 7.975 -3.444 370 HA ARG 46 HA ARG 46 10.033 7.007 -6.036 371 1HB ARG 46 1HB ARG 46 11.096 9.158 -5.268 372 2HB ARG 46 2HB ARG 46 11.703 8.274 -3.866 373 1HG ARG 46 1HG ARG 46 13.113 6.925 -5.162 374 2HG ARG 46 2HG ARG 46 12.188 7.210 -6.637 375 1HD ARG 46 1HD ARG 46 12.906 9.698 -6.310 376 2HD ARG 46 2HD ARG 46 14.150 9.026 -5.261 377 HE ARG 46 HE ARG 46 14.036 7.725 -7.830 378 1HH1 ARG 46 1HH1 ARG 46 15.284 10.491 -6.085 379 2HH1 ARG 46 2HH1 ARG 46 16.609 10.722 -7.172 380 1HH2 ARG 46 1HH2 ARG 46 15.778 8.062 -9.223 381 2HH2 ARG 46 2HH2 ARG 46 16.888 9.359 -8.934 382 H GLY 47 H GLY 47 9.081 6.063 -2.987 383 1HA GLY 47 1HA GLY 47 9.625 4.320 -1.583 384 2HA GLY 47 2HA GLY 47 11.211 4.257 -2.343 385 H ARG 48 H ARG 48 8.300 2.690 -1.953 386 HA ARG 48 HA ARG 48 8.307 1.271 -4.500 387 1HB ARG 48 1HB ARG 48 9.516 0.174 -2.035 388 2HB ARG 48 2HB ARG 48 8.381 -0.903 -2.845 389 1HG ARG 48 1HG ARG 48 9.609 -0.642 -4.957 390 2HG ARG 48 2HG ARG 48 10.729 0.477 -4.179 391 1HD ARG 48 1HD ARG 48 11.795 -1.187 -3.001 392 2HD ARG 48 2HD ARG 48 10.347 -2.181 -2.889 393 HE ARG 48 HE ARG 48 11.345 -1.983 -5.582 394 1HH1 ARG 48 1HH1 ARG 48 11.720 -3.643 -2.524 395 2HH1 ARG 48 2HH1 ARG 48 12.403 -5.057 -3.245 396 1HH2 ARG 48 1HH2 ARG 48 12.240 -3.848 -6.483 397 2HH2 ARG 48 2HH2 ARG 48 12.696 -5.175 -5.468 398 H GLN 49 H GLN 49 6.777 -0.847 -3.985 399 HA GLN 49 HA GLN 49 4.213 0.325 -3.349 400 1HB GLN 49 1HB GLN 49 5.171 -2.311 -4.392 401 2HB GLN 49 2HB GLN 49 3.555 -2.213 -3.694 402 1HG GLN 49 1HG GLN 49 2.788 -0.745 -5.328 403 2HG GLN 49 2HG GLN 49 4.405 -0.135 -5.682 404 2HE2 GLN 49 2HE2 GLN 49 5.877 -2.373 -6.262 405 1HE2 GLN 49 1HE2 GLN 49 5.197 -3.231 -7.559 406 H VAL 50 H VAL 50 2.743 -0.564 -1.750 407 HA VAL 50 HA VAL 50 3.921 -2.182 0.383 408 HB VAL 50 HB VAL 50 2.829 0.596 0.897 409 1HG1 VAL 50 1HG1 VAL 50 3.472 -1.736 2.638 410 2HG1 VAL 50 2HG1 VAL 50 3.974 -0.147 3.218 411 3HG1 VAL 50 3HG1 VAL 50 2.275 -0.461 2.865 412 1HG2 VAL 50 1HG2 VAL 50 5.619 -0.575 1.063 413 2HG2 VAL 50 2HG2 VAL 50 5.074 0.711 -0.012 414 3HG2 VAL 50 3HG2 VAL 50 5.169 0.995 1.726 415 H CYS 51 H CYS 51 2.463 -3.712 0.734 416 HA CYS 51 HA CYS 51 -0.318 -3.425 0.069 417 1HB CYS 51 1HB CYS 51 1.230 -5.550 1.568 418 2HB CYS 51 2HB CYS 51 -0.507 -5.648 1.288 419 H ALA 52 H ALA 52 -1.806 -2.420 1.288 420 HA ALA 52 HA ALA 52 -1.436 -2.446 4.224 421 1HB ALA 52 1HB ALA 52 -0.865 -0.223 2.892 422 2HB ALA 52 2HB ALA 52 -2.617 -0.025 2.948 423 3HB ALA 52 3HB ALA 52 -1.698 -0.174 4.445 424 H ASP 53 H ASP 53 -3.232 -2.692 5.426 425 HA ASP 53 HA ASP 53 -5.712 -3.332 3.991 426 1HB ASP 53 1HB ASP 53 -4.548 -4.057 6.636 427 2HB ASP 53 2HB ASP 53 -6.305 -3.945 6.535 428 H LYS 54 H LYS 54 -7.429 -2.022 4.020 429 HA LYS 54 HA LYS 54 -7.305 0.607 4.994 430 1HB LYS 54 1HB LYS 54 -9.775 -1.035 4.372 431 2HB LYS 54 2HB LYS 54 -9.711 0.723 4.512 432 1HG LYS 54 1HG LYS 54 -8.202 0.875 2.616 433 2HG LYS 54 2HG LYS 54 -8.078 -0.881 2.526 434 1HD LYS 54 1HD LYS 54 -10.581 -0.944 2.156 435 2HD LYS 54 2HD LYS 54 -10.531 0.812 1.999 436 1HE LYS 54 1HE LYS 54 -8.853 0.558 0.164 437 2HE LYS 54 2HE LYS 54 -9.048 -1.191 0.274 438 1HZ LYS 54 1HZ LYS 54 -11.409 0.530 -0.074 439 2HZ LYS 54 2HZ LYS 54 -10.447 0.138 -1.418 440 3HZ LYS 54 3HZ LYS 54 -11.192 -1.093 -0.515 441 H SER 55 H SER 55 -8.286 -2.361 6.540 442 HA SER 55 HA SER 55 -9.895 -1.404 8.612 443 1HB SER 55 1HB SER 55 -8.220 -3.792 8.171 444 2HB SER 55 2HB SER 55 -8.555 -3.409 9.856 445 HG SER 55 HG SER 55 -10.440 -4.245 9.491 446 H LYS 56 H LYS 56 -6.439 -1.200 8.155 447 HA LYS 56 HA LYS 56 -5.632 -0.684 10.804 448 1HB LYS 56 1HB LYS 56 -4.442 0.443 8.258 449 2HB LYS 56 2HB LYS 56 -3.642 0.331 9.825 450 1HG LYS 56 1HG LYS 56 -4.794 -2.185 8.726 451 2HG LYS 56 2HG LYS 56 -3.352 -1.555 7.929 452 1HD LYS 56 1HD LYS 56 -2.016 -1.894 9.769 453 2HD LYS 56 2HD LYS 56 -3.332 -1.609 10.908 454 1HE LYS 56 1HE LYS 56 -4.324 -3.812 10.196 455 2HE LYS 56 2HE LYS 56 -2.864 -4.103 9.252 456 1HZ LYS 56 1HZ LYS 56 -2.867 -3.523 12.162 457 2HZ LYS 56 2HZ LYS 56 -2.827 -5.088 11.511 458 3HZ LYS 56 3HZ LYS 56 -1.544 -4.014 11.215 459 H ASP 57 H ASP 57 -4.455 1.677 11.054 460 HA ASP 57 HA ASP 57 -6.694 3.602 10.885 461 1HB ASP 57 1HB ASP 57 -5.545 4.766 12.778 462 2HB ASP 57 2HB ASP 57 -6.093 3.139 13.182 463 H TRP 58 H TRP 58 -3.173 3.275 10.578 464 HA TRP 58 HA TRP 58 -2.797 5.956 9.650 465 1HB TRP 58 1HB TRP 58 -0.523 5.226 9.045 466 2HB TRP 58 2HB TRP 58 -0.945 4.770 10.692 467 HD1 TRP 58 HD1 TRP 58 -1.383 2.187 11.190 468 HE1 TRP 58 HE1 TRP 58 -0.638 0.060 9.940 469 HE3 TRP 58 HE3 TRP 58 -0.082 4.215 6.692 470 HZ2 TRP 58 HZ2 TRP 58 0.380 -0.686 7.360 471 HZ3 TRP 58 HZ3 TRP 58 0.775 2.781 4.864 472 HH2 TRP 58 HH2 TRP 58 1.005 0.339 5.192 473 H VAL 59 H VAL 59 -3.618 2.936 8.128 474 HA VAL 59 HA VAL 59 -2.931 3.755 5.458 475 HB VAL 59 HB VAL 59 -4.853 1.586 6.331 476 1HG1 VAL 59 1HG1 VAL 59 -4.768 2.471 3.883 477 2HG1 VAL 59 2HG1 VAL 59 -3.194 1.678 3.815 478 3HG1 VAL 59 3HG1 VAL 59 -4.644 0.731 4.143 479 1HG2 VAL 59 1HG2 VAL 59 -2.560 1.384 7.322 480 2HG2 VAL 59 2HG2 VAL 59 -2.942 0.081 6.196 481 3HG2 VAL 59 3HG2 VAL 59 -1.894 1.406 5.689 482 H LYS 60 H LYS 60 -5.757 3.919 7.523 483 HA LYS 60 HA LYS 60 -7.654 4.626 5.534 484 1HB LYS 60 1HB LYS 60 -8.076 3.891 7.971 485 2HB LYS 60 2HB LYS 60 -7.773 5.578 8.390 486 1HG LYS 60 1HG LYS 60 -9.551 6.299 6.854 487 2HG LYS 60 2HG LYS 60 -9.844 4.622 6.391 488 1HD LYS 60 1HD LYS 60 -10.530 4.058 8.648 489 2HD LYS 60 2HD LYS 60 -10.083 5.663 9.228 490 1HE LYS 60 1HE LYS 60 -12.357 5.970 8.914 491 2HE LYS 60 2HE LYS 60 -11.761 6.445 7.322 492 1HZ LYS 60 1HZ LYS 60 -12.091 4.081 6.645 493 2HZ LYS 60 2HZ LYS 60 -12.891 3.822 8.121 494 3HZ LYS 60 3HZ LYS 60 -13.522 4.922 6.990 495 H LYS 61 H LYS 61 -5.541 6.530 7.649 496 HA LYS 61 HA LYS 61 -6.497 9.084 6.920 497 1HB LYS 61 1HB LYS 61 -4.786 8.314 8.791 498 2HB LYS 61 2HB LYS 61 -3.599 8.695 7.542 499 1HG LYS 61 1HG LYS 61 -4.247 10.955 7.440 500 2HG LYS 61 2HG LYS 61 -5.803 10.639 8.208 501 1HD LYS 61 1HD LYS 61 -3.323 10.008 9.755 502 2HD LYS 61 2HD LYS 61 -3.785 11.702 9.583 503 1HE LYS 61 1HE LYS 61 -5.909 9.743 10.349 504 2HE LYS 61 2HE LYS 61 -4.736 10.215 11.578 505 1HZ LYS 61 1HZ LYS 61 -6.305 12.128 9.938 506 2HZ LYS 61 2HZ LYS 61 -6.722 11.651 11.514 507 3HZ LYS 61 3HZ LYS 61 -5.282 12.505 11.241 508 H LEU 62 H LEU 62 -3.911 7.060 5.575 509 HA LEU 62 HA LEU 62 -2.941 8.904 3.672 510 1HB LEU 62 1HB LEU 62 -3.063 5.897 3.491 511 2HB LEU 62 2HB LEU 62 -2.103 6.935 2.462 512 HG LEU 62 HG LEU 62 -1.712 6.922 5.445 513 1HD1 LEU 62 1HD1 LEU 62 -0.965 4.875 3.421 514 2HD1 LEU 62 2HD1 LEU 62 0.294 5.349 4.562 515 3HD1 LEU 62 3HD1 LEU 62 -1.234 4.701 5.154 516 1HD2 LEU 62 1HD2 LEU 62 -0.268 7.882 3.005 517 2HD2 LEU 62 2HD2 LEU 62 -0.470 8.672 4.568 518 3HD2 LEU 62 3HD2 LEU 62 0.695 7.362 4.387 519 H MET 63 H MET 63 -5.428 6.405 3.480 520 HA MET 63 HA MET 63 -6.126 6.550 0.800 521 1HB MET 63 1HB MET 63 -7.783 6.033 3.260 522 2HB MET 63 2HB MET 63 -8.490 5.998 1.646 523 1HG MET 63 1HG MET 63 -6.315 4.459 1.204 524 2HG MET 63 2HG MET 63 -6.567 4.115 2.915 525 1HE MET 63 1HE MET 63 -7.056 3.526 -0.391 526 2HE MET 63 2HE MET 63 -7.250 1.846 0.099 527 3HE MET 63 3HE MET 63 -8.571 2.692 -0.720 528 H GLN 64 H GLN 64 -7.067 8.670 3.452 529 HA GLN 64 HA GLN 64 -8.820 10.253 1.746 530 1HB GLN 64 1HB GLN 64 -8.018 10.388 4.645 531 2HB GLN 64 2HB GLN 64 -8.869 11.726 3.873 532 1HG GLN 64 1HG GLN 64 -10.645 10.122 3.149 533 2HG GLN 64 2HG GLN 64 -9.822 8.854 4.058 534 2HE2 GLN 64 2HE2 GLN 64 -12.199 11.263 4.312 535 1HE2 GLN 64 1HE2 GLN 64 -12.273 11.354 6.006 536 H GLN 65 H GLN 65 -5.580 10.387 3.074 537 HA GLN 65 HA GLN 65 -5.094 13.138 2.480 538 1HB GLN 65 1HB GLN 65 -3.407 10.791 3.242 539 2HB GLN 65 2HB GLN 65 -2.624 12.237 2.607 540 1HG GLN 65 1HG GLN 65 -4.702 12.722 4.664 541 2HG GLN 65 2HG GLN 65 -3.252 11.899 5.232 542 2HE2 GLN 65 2HE2 GLN 65 -4.165 14.749 3.214 543 1HE2 GLN 65 1HE2 GLN 65 -2.871 15.714 3.741 544 H LEU 66 H LEU 66 -4.637 10.106 0.756 545 HA LEU 66 HA LEU 66 -3.639 11.613 -1.588 546 1HB LEU 66 1HB LEU 66 -3.487 8.637 -1.299 547 2HB LEU 66 2HB LEU 66 -2.530 9.691 -2.316 548 HG LEU 66 HG LEU 66 -2.328 9.606 0.703 549 1HD1 LEU 66 1HD1 LEU 66 -1.608 7.553 -0.881 550 2HD1 LEU 66 2HD1 LEU 66 -0.174 8.563 -1.071 551 3HD1 LEU 66 3HD1 LEU 66 -0.667 8.025 0.534 552 1HD2 LEU 66 1HD2 LEU 66 -0.891 11.046 -1.517 553 2HD2 LEU 66 2HD2 LEU 66 -1.481 11.683 0.018 554 3HD2 LEU 66 3HD2 LEU 66 -0.040 10.667 -0.018 555 HA PRO 67 HA PRO 67 -7.461 10.527 -3.521 556 1HB PRO 67 1HB PRO 67 -6.762 10.820 -6.154 557 2HB PRO 67 2HB PRO 67 -7.058 12.175 -5.055 558 1HG PRO 67 1HG PRO 67 -4.488 11.127 -6.101 559 2HG PRO 67 2HG PRO 67 -4.912 12.766 -5.585 560 1HD PRO 67 1HD PRO 67 -3.434 10.886 -4.082 561 2HD PRO 67 2HD PRO 67 -4.155 12.389 -3.460 562 H VAL 68 H VAL 68 -5.316 9.309 -6.074 563 HA VAL 68 HA VAL 68 -5.142 6.639 -5.369 564 HB VAL 68 HB VAL 68 -7.821 7.202 -5.822 565 1HG1 VAL 68 1HG1 VAL 68 -7.488 7.452 -8.255 566 2HG1 VAL 68 2HG1 VAL 68 -6.781 5.838 -8.319 567 3HG1 VAL 68 3HG1 VAL 68 -8.477 6.040 -7.878 568 1HG2 VAL 68 1HG2 VAL 68 -6.487 5.187 -4.806 569 2HG2 VAL 68 2HG2 VAL 68 -8.125 4.938 -5.412 570 3HG2 VAL 68 3HG2 VAL 68 -6.739 4.468 -6.396 571 H THR 69 H THR 69 -4.630 5.223 -7.293 572 HA THR 69 HA THR 69 -2.719 6.507 -8.928 573 HB THR 69 HB THR 69 -3.111 4.231 -10.291 574 HG1 THR 69 HG1 THR 69 -4.976 3.712 -9.089 575 1HG2 THR 69 1HG2 THR 69 -1.130 4.989 -8.894 576 2HG2 THR 69 2HG2 THR 69 -1.914 4.220 -7.514 577 3HG2 THR 69 3HG2 THR 69 -1.423 3.249 -8.901 578 H ALA 70 H ALA 70 -2.713 6.968 -11.138 579 HA ALA 70 HA ALA 70 -5.115 6.692 -12.725 580 1HB ALA 70 1HB ALA 70 -5.207 9.207 -13.160 581 2HB ALA 70 2HB ALA 70 -5.839 8.661 -11.607 582 3HB ALA 70 3HB ALA 70 -4.237 9.392 -11.700 583 H ARG 71 H ARG 71 -4.791 7.882 -14.883 584 HA ARG 71 HA ARG 71 -1.975 7.502 -15.699 585 1HB ARG 71 1HB ARG 71 -4.517 7.367 -17.340 586 2HB ARG 71 2HB ARG 71 -2.885 7.175 -17.982 587 1HG ARG 71 1HG ARG 71 -3.361 4.956 -17.602 588 2HG ARG 71 2HG ARG 71 -2.753 5.370 -15.999 589 1HD ARG 71 1HD ARG 71 -5.314 6.093 -15.660 590 2HD ARG 71 2HD ARG 71 -5.549 4.863 -16.896 591 HE ARG 71 HE ARG 71 -3.856 3.981 -14.729 592 1HH1 ARG 71 1HH1 ARG 71 -7.165 4.365 -15.810 593 2HH1 ARG 71 2HH1 ARG 71 -7.767 3.123 -14.768 594 1HH2 ARG 71 1HH2 ARG 71 -4.684 2.369 -13.388 595 2HH2 ARG 71 2HH2 ARG 71 -6.377 2.001 -13.408 No H/Q in entry = 595 Start of MODEL 6 1 H1 LEU 1 H1 LEU 1 3.972 -32.156 -6.394 2 H2 LEU 1 H2 LEU 1 5.315 -32.296 -5.366 3 H3 LEU 1 H3 LEU 1 3.915 -33.211 -5.063 4 HA LEU 1 HA LEU 1 2.719 -31.419 -4.286 5 1HB LEU 1 1HB LEU 1 5.623 -30.919 -3.566 6 2HB LEU 1 2HB LEU 1 4.242 -30.237 -2.707 7 HG LEU 1 HG LEU 1 4.483 -33.211 -3.125 8 1HD1 LEU 1 1HD1 LEU 1 6.495 -31.937 -1.902 9 2HD1 LEU 1 2HD1 LEU 1 5.361 -31.981 -0.551 10 3HD1 LEU 1 3HD1 LEU 1 5.883 -33.483 -1.313 11 1HD2 LEU 1 1HD2 LEU 1 2.917 -31.317 -1.403 12 2HD2 LEU 1 2HD2 LEU 1 2.358 -32.727 -2.305 13 3HD2 LEU 1 3HD2 LEU 1 3.248 -32.940 -0.797 14 H GLY 2 H GLY 2 1.940 -29.426 -4.709 15 1HA GLY 2 1HA GLY 2 3.357 -27.826 -6.740 16 2HA GLY 2 2HA GLY 2 2.837 -27.046 -5.249 17 H ALA 3 H ALA 3 1.649 -28.937 -8.011 18 HA ALA 3 HA ALA 3 -0.335 -28.876 -9.172 19 1HB ALA 3 1HB ALA 3 -2.323 -28.928 -7.948 20 2HB ALA 3 2HB ALA 3 -1.135 -29.472 -6.764 21 3HB ALA 3 3HB ALA 3 -1.717 -27.808 -6.729 22 H SER 4 H SER 4 0.342 -27.179 -10.519 23 HA SER 4 HA SER 4 0.152 -25.126 -11.538 24 1HB SER 4 1HB SER 4 -2.101 -24.373 -9.719 25 2HB SER 4 2HB SER 4 -1.903 -24.062 -11.442 26 HG SER 4 HG SER 4 -3.313 -25.703 -11.399 27 H TRP 5 H TRP 5 -0.105 -22.655 -10.945 28 HA TRP 5 HA TRP 5 1.469 -22.187 -8.480 29 1HB TRP 5 1HB TRP 5 2.455 -20.227 -9.685 30 2HB TRP 5 2HB TRP 5 2.883 -21.780 -10.399 31 HD1 TRP 5 HD1 TRP 5 1.611 -22.483 -12.668 32 HE1 TRP 5 HE1 TRP 5 0.528 -21.039 -14.510 33 HE3 TRP 5 HE3 TRP 5 1.190 -18.045 -10.176 34 HZ2 TRP 5 HZ2 TRP 5 -0.393 -18.356 -14.876 35 HZ3 TRP 5 HZ3 TRP 5 0.208 -16.064 -11.293 36 HH2 TRP 5 HH2 TRP 5 -0.583 -16.213 -13.638 37 H HIS 6 H HIS 6 0.264 -21.201 -7.010 38 HA HIS 6 HA HIS 6 -1.877 -19.375 -7.889 39 1HB HIS 6 1HB HIS 6 -1.421 -21.029 -5.441 40 2HB HIS 6 2HB HIS 6 -2.372 -19.550 -5.295 41 HD1 HIS 6 HD1 HIS 6 -4.475 -19.367 -6.988 42 HD2 HIS 6 HD2 HIS 6 -2.811 -23.164 -6.561 43 HE1 HIS 6 HE1 HIS 6 -6.185 -21.003 -7.889 44 H ARG 7 H ARG 7 -2.257 -17.532 -6.255 45 HA ARG 7 HA ARG 7 -1.532 -15.530 -5.386 46 1HB ARG 7 1HB ARG 7 -0.525 -17.072 -3.673 47 2HB ARG 7 2HB ARG 7 0.970 -17.044 -4.609 48 1HG ARG 7 1HG ARG 7 1.128 -14.618 -4.351 49 2HG ARG 7 2HG ARG 7 -0.414 -14.586 -3.497 50 1HD ARG 7 1HD ARG 7 0.644 -16.203 -1.823 51 2HD ARG 7 2HD ARG 7 2.186 -15.826 -2.585 52 HE ARG 7 HE ARG 7 0.673 -14.115 -0.814 53 1HH1 ARG 7 1HH1 ARG 7 3.031 -14.207 -3.399 54 2HH1 ARG 7 2HH1 ARG 7 3.716 -12.674 -2.981 55 1HH2 ARG 7 1HH2 ARG 7 1.595 -12.122 -0.303 56 2HH2 ARG 7 2HH2 ARG 7 2.911 -11.503 -1.243 57 HA PRO 8 HA PRO 8 1.155 -14.663 -9.003 58 1HB PRO 8 1HB PRO 8 -0.375 -12.640 -10.016 59 2HB PRO 8 2HB PRO 8 -0.650 -14.351 -10.372 60 1HG PRO 8 1HG PRO 8 -2.202 -12.522 -8.644 61 2HG PRO 8 2HG PRO 8 -2.720 -13.991 -9.482 62 1HD PRO 8 1HD PRO 8 -2.083 -13.744 -6.718 63 2HD PRO 8 2HD PRO 8 -2.395 -15.252 -7.610 64 H ASP 9 H ASP 9 1.565 -12.139 -9.876 65 HA ASP 9 HA ASP 9 2.782 -10.849 -7.547 66 1HB ASP 9 1HB ASP 9 3.112 -10.524 -10.526 67 2HB ASP 9 2HB ASP 9 3.774 -9.347 -9.392 68 H LYS 10 H LYS 10 0.618 -10.226 -6.744 69 HA LYS 10 HA LYS 10 0.092 -7.497 -7.194 70 1HB LYS 10 1HB LYS 10 -0.914 -8.772 -9.301 71 2HB LYS 10 2HB LYS 10 -2.248 -9.060 -8.184 72 1HG LYS 10 1HG LYS 10 -1.987 -6.487 -7.676 73 2HG LYS 10 2HG LYS 10 -1.206 -6.459 -9.258 74 1HD LYS 10 1HD LYS 10 -3.855 -7.841 -8.907 75 2HD LYS 10 2HD LYS 10 -3.790 -6.093 -9.127 76 1HE LYS 10 1HE LYS 10 -2.356 -6.518 -11.181 77 2HE LYS 10 2HE LYS 10 -2.760 -8.227 -11.011 78 1HZ LYS 10 1HZ LYS 10 -5.101 -7.651 -11.152 79 2HZ LYS 10 2HZ LYS 10 -4.711 -6.009 -11.321 80 3HZ LYS 10 3HZ LYS 10 -4.267 -7.116 -12.531 81 H CYS 11 H CYS 11 -1.288 -10.613 -6.277 82 HA CYS 11 HA CYS 11 -3.072 -9.491 -4.308 83 1HB CYS 11 1HB CYS 11 -2.138 -12.365 -4.509 84 2HB CYS 11 2HB CYS 11 -3.594 -11.766 -3.719 85 H CYS 12 H CYS 12 -2.917 -10.436 -1.999 86 HA CYS 12 HA CYS 12 -0.444 -11.129 -0.857 87 1HB CYS 12 1HB CYS 12 0.100 -8.981 0.294 88 2HB CYS 12 2HB CYS 12 0.339 -8.916 -1.451 89 H LEU 13 H LEU 13 -1.049 -12.175 0.901 90 HA LEU 13 HA LEU 13 -3.611 -11.627 2.153 91 1HB LEU 13 1HB LEU 13 -1.522 -13.562 3.117 92 2HB LEU 13 2HB LEU 13 -3.243 -13.589 3.430 93 HG LEU 13 HG LEU 13 -2.104 -13.970 0.661 94 1HD1 LEU 13 1HD1 LEU 13 -2.386 -15.882 2.948 95 2HD1 LEU 13 2HD1 LEU 13 -2.757 -16.460 1.324 96 3HD1 LEU 13 3HD1 LEU 13 -1.155 -15.819 1.686 97 1HD2 LEU 13 1HD2 LEU 13 -4.767 -14.273 2.014 98 2HD2 LEU 13 2HD2 LEU 13 -4.389 -13.562 0.445 99 3HD2 LEU 13 3HD2 LEU 13 -4.382 -15.314 0.644 100 H GLY 14 H GLY 14 -0.199 -11.187 2.829 101 1HA GLY 14 1HA GLY 14 0.883 -10.343 4.724 102 2HA GLY 14 2HA GLY 14 -0.671 -10.275 5.552 103 H TYR 15 H TYR 15 0.333 -8.139 6.201 104 HA TYR 15 HA TYR 15 0.163 -6.067 4.133 105 1HB TYR 15 1HB TYR 15 -1.540 -6.103 6.633 106 2HB TYR 15 2HB TYR 15 -1.317 -4.686 5.606 107 HD1 TYR 15 HD1 TYR 15 -2.666 -8.140 5.732 108 HD2 TYR 15 HD2 TYR 15 -2.390 -4.504 3.469 109 HE1 TYR 15 HE1 TYR 15 -4.437 -8.959 4.200 110 HE2 TYR 15 HE2 TYR 15 -4.160 -5.316 1.938 111 HH TYR 15 HH TYR 15 -6.189 -7.805 2.636 112 H GLN 16 H GLN 16 0.727 -3.877 5.129 113 HA GLN 16 HA GLN 16 3.262 -4.105 6.410 114 1HB GLN 16 1HB GLN 16 2.259 -2.177 4.892 115 2HB GLN 16 2HB GLN 16 1.759 -1.521 6.446 116 1HG GLN 16 1HG GLN 16 3.954 -0.630 5.880 117 2HG GLN 16 2HG GLN 16 4.114 -1.728 7.249 118 2HE2 GLN 16 2HE2 GLN 16 5.299 -3.699 6.937 119 1HE2 GLN 16 1HE2 GLN 16 6.130 -4.046 5.499 120 H LYS 17 H LYS 17 3.511 -4.665 8.465 121 HA LYS 17 HA LYS 17 1.443 -4.223 10.425 122 1HB LYS 17 1HB LYS 17 3.029 -5.251 12.011 123 2HB LYS 17 2HB LYS 17 2.838 -6.228 10.557 124 1HG LYS 17 1HG LYS 17 4.922 -4.567 9.854 125 2HG LYS 17 2HG LYS 17 5.219 -4.817 11.573 126 1HD LYS 17 1HD LYS 17 6.340 -6.635 10.623 127 2HD LYS 17 2HD LYS 17 4.770 -7.338 11.014 128 1HE LYS 17 1HE LYS 17 4.002 -7.007 8.725 129 2HE LYS 17 2HE LYS 17 5.500 -6.176 8.311 130 1HZ LYS 17 1HZ LYS 17 6.720 -8.202 8.820 131 2HZ LYS 17 2HZ LYS 17 5.268 -9.002 9.191 132 3HZ LYS 17 3HZ LYS 17 5.563 -8.478 7.606 133 H ARG 18 H ARG 18 3.851 -2.229 9.152 134 HA ARG 18 HA ARG 18 3.858 -0.585 11.608 135 1HB ARG 18 1HB ARG 18 6.018 -0.996 9.539 136 2HB ARG 18 2HB ARG 18 6.024 0.369 10.655 137 1HG ARG 18 1HG ARG 18 5.687 -2.434 11.699 138 2HG ARG 18 2HG ARG 18 7.296 -1.812 11.330 139 1HD ARG 18 1HD ARG 18 5.461 -0.104 12.959 140 2HD ARG 18 2HD ARG 18 6.217 -1.489 13.740 141 HE ARG 18 HE ARG 18 7.525 0.950 12.911 142 1HH1 ARG 18 1HH1 ARG 18 7.962 -2.462 13.563 143 2HH1 ARG 18 2HH1 ARG 18 9.649 -2.298 13.903 144 1HH2 ARG 18 1HH2 ARG 18 9.728 1.119 13.364 145 2HH2 ARG 18 2HH2 ARG 18 10.643 -0.288 13.792 146 HA PRO 19 HA PRO 19 2.017 2.476 8.984 147 1HB PRO 19 1HB PRO 19 2.379 4.676 10.565 148 2HB PRO 19 2HB PRO 19 1.185 3.415 10.893 149 1HG PRO 19 1HG PRO 19 3.723 3.985 12.278 150 2HG PRO 19 2HG PRO 19 2.283 3.142 12.865 151 1HD PRO 19 1HD PRO 19 4.723 1.958 11.963 152 2HD PRO 19 2HD PRO 19 3.219 1.117 12.407 153 H LEU 20 H LEU 20 2.707 3.563 7.235 154 HA LEU 20 HA LEU 20 5.482 4.554 7.191 155 1HB LEU 20 1HB LEU 20 3.838 4.560 4.723 156 2HB LEU 20 2HB LEU 20 5.533 4.188 4.939 157 HG LEU 20 HG LEU 20 3.173 2.366 5.449 158 1HD1 LEU 20 1HD1 LEU 20 5.471 2.411 3.480 159 2HD1 LEU 20 2HD1 LEU 20 4.485 0.975 3.758 160 3HD1 LEU 20 3HD1 LEU 20 3.743 2.445 3.127 161 1HD2 LEU 20 1HD2 LEU 20 5.980 2.292 6.424 162 2HD2 LEU 20 2HD2 LEU 20 4.531 1.557 7.109 163 3HD2 LEU 20 3HD2 LEU 20 5.356 0.784 5.756 164 HA PRO 21 HA PRO 21 3.932 8.709 7.137 165 1HB PRO 21 1HB PRO 21 6.162 10.006 6.227 166 2HB PRO 21 2HB PRO 21 6.009 9.344 7.864 167 1HG PRO 21 1HG PRO 21 7.599 8.341 5.582 168 2HG PRO 21 2HG PRO 21 7.844 8.104 7.318 169 1HD PRO 21 1HD PRO 21 6.707 6.240 5.484 170 2HD PRO 21 2HD PRO 21 6.773 6.090 7.256 171 H GLN 22 H GLN 22 2.843 10.035 5.758 172 HA GLN 22 HA GLN 22 2.612 9.339 2.997 173 1HB GLN 22 1HB GLN 22 0.805 10.365 4.465 174 2HB GLN 22 2HB GLN 22 1.647 11.902 4.267 175 1HG GLN 22 1HG GLN 22 1.147 10.383 1.767 176 2HG GLN 22 2HG GLN 22 -0.285 11.028 2.570 177 2HE2 GLN 22 2HE2 GLN 22 1.293 11.906 0.042 178 1HE2 GLN 22 1HE2 GLN 22 1.537 13.567 0.289 179 H VAL 23 H VAL 23 4.904 11.223 4.647 180 HA VAL 23 HA VAL 23 5.387 13.381 2.993 181 HB VAL 23 HB VAL 23 6.511 12.987 5.161 182 1HG1 VAL 23 1HG1 VAL 23 6.963 10.503 4.516 183 2HG1 VAL 23 2HG1 VAL 23 8.412 11.135 3.739 184 3HG1 VAL 23 3HG1 VAL 23 8.172 11.358 5.471 185 1HG2 VAL 23 1HG2 VAL 23 8.400 13.318 2.814 186 2HG2 VAL 23 2HG2 VAL 23 7.468 14.605 3.579 187 3HG2 VAL 23 3HG2 VAL 23 8.745 13.788 4.479 188 H LEU 24 H LEU 24 6.560 10.070 2.651 189 HA LEU 24 HA LEU 24 7.816 10.754 0.095 190 1HB LEU 24 1HB LEU 24 9.186 8.995 0.416 191 2HB LEU 24 2HB LEU 24 8.677 9.140 2.080 192 HG LEU 24 HG LEU 24 7.499 7.209 0.058 193 1HD1 LEU 24 1HD1 LEU 24 9.703 7.019 2.067 194 2HD1 LEU 24 2HD1 LEU 24 8.674 5.610 1.810 195 3HD1 LEU 24 3HD1 LEU 24 9.581 6.297 0.462 196 1HD2 LEU 24 1HD2 LEU 24 6.603 8.122 2.656 197 2HD2 LEU 24 2HD2 LEU 24 5.824 6.992 1.555 198 3HD2 LEU 24 3HD2 LEU 24 6.998 6.410 2.732 199 H LEU 25 H LEU 25 5.118 9.022 1.454 200 HA LEU 25 HA LEU 25 4.382 7.395 -0.669 201 1HB LEU 25 1HB LEU 25 3.341 7.844 1.748 202 2HB LEU 25 2HB LEU 25 2.207 8.769 0.791 203 HG LEU 25 HG LEU 25 1.576 6.796 -0.465 204 1HD1 LEU 25 1HD1 LEU 25 4.026 5.709 0.822 205 2HD1 LEU 25 2HD1 LEU 25 2.675 4.590 0.650 206 3HD1 LEU 25 3HD1 LEU 25 3.353 5.379 -0.774 207 1HD2 LEU 25 1HD2 LEU 25 1.576 6.749 2.517 208 2HD2 LEU 25 2HD2 LEU 25 0.216 6.794 1.396 209 3HD2 LEU 25 3HD2 LEU 25 1.066 5.277 1.691 210 H SER 26 H SER 26 2.957 7.575 -2.372 211 HA SER 26 HA SER 26 2.549 10.342 -3.348 212 1HB SER 26 1HB SER 26 4.074 8.631 -4.621 213 2HB SER 26 2HB SER 26 2.540 7.960 -5.168 214 HG SER 26 HG SER 26 2.239 9.666 -6.373 215 H SER 27 H SER 27 1.170 7.090 -3.929 216 HA SER 27 HA SER 27 -1.503 8.059 -3.283 217 1HB SER 27 1HB SER 27 -2.480 7.626 -5.426 218 2HB SER 27 2HB SER 27 -1.091 8.670 -5.707 219 HG SER 27 HG SER 27 -1.093 6.916 -7.147 220 H TRP 28 H TRP 28 -3.002 6.041 -4.341 221 HA TRP 28 HA TRP 28 -1.767 3.480 -3.659 222 1HB TRP 28 1HB TRP 28 -3.654 2.940 -2.079 223 2HB TRP 28 2HB TRP 28 -2.520 4.144 -1.474 224 HD1 TRP 28 HD1 TRP 28 -3.315 6.703 -1.470 225 HE1 TRP 28 HE1 TRP 28 -5.668 7.754 -1.421 226 HE3 TRP 28 HE3 TRP 28 -6.125 2.652 -2.834 227 HZ2 TRP 28 HZ2 TRP 28 -8.379 6.977 -1.903 228 HZ3 TRP 28 HZ3 TRP 28 -8.583 2.842 -3.032 229 HH2 TRP 28 HH2 TRP 28 -9.715 4.996 -2.567 230 H TYR 29 H TYR 29 -2.683 1.793 -4.724 231 HA TYR 29 HA TYR 29 -5.153 2.387 -6.244 232 1HB TYR 29 1HB TYR 29 -4.368 1.060 -8.088 233 2HB TYR 29 2HB TYR 29 -3.125 2.241 -7.697 234 HD1 TYR 29 HD1 TYR 29 -1.145 1.477 -6.230 235 HD2 TYR 29 HD2 TYR 29 -3.901 -1.245 -8.089 236 HE1 TYR 29 HE1 TYR 29 0.505 -0.356 -5.998 237 HE2 TYR 29 HE2 TYR 29 -2.249 -3.078 -7.853 238 HH TYR 29 HH TYR 29 0.571 -2.991 -7.633 239 HA PRO 30 HA PRO 30 -6.813 -1.145 -4.207 240 1HB PRO 30 1HB PRO 30 -8.921 -1.689 -5.858 241 2HB PRO 30 2HB PRO 30 -8.876 -0.326 -4.730 242 1HG PRO 30 1HG PRO 30 -8.594 -0.337 -7.678 243 2HG PRO 30 2HG PRO 30 -9.178 0.943 -6.606 244 1HD PRO 30 1HD PRO 30 -6.608 0.792 -7.789 245 2HD PRO 30 2HD PRO 30 -7.109 1.903 -6.492 246 H THR 31 H THR 31 -7.012 -3.392 -4.268 247 HA THR 31 HA THR 31 -5.443 -4.714 -6.340 248 HB THR 31 HB THR 31 -6.144 -6.739 -4.738 249 HG1 THR 31 HG1 THR 31 -7.536 -5.281 -3.557 250 1HG2 THR 31 1HG2 THR 31 -4.018 -4.685 -4.649 251 2HG2 THR 31 2HG2 THR 31 -4.209 -5.637 -3.177 252 3HG2 THR 31 3HG2 THR 31 -3.888 -6.442 -4.713 253 H SER 32 H SER 32 -6.399 -7.129 -6.672 254 HA SER 32 HA SER 32 -8.869 -6.707 -8.160 255 1HB SER 32 1HB SER 32 -6.745 -8.793 -8.089 256 2HB SER 32 2HB SER 32 -8.355 -9.297 -8.591 257 HG SER 32 HG SER 32 -8.304 -7.618 -10.140 258 H GLN 33 H GLN 33 -10.253 -8.941 -8.094 259 HA GLN 33 HA GLN 33 -11.189 -9.089 -5.312 260 1HB GLN 33 1HB GLN 33 -12.800 -8.529 -7.157 261 2HB GLN 33 2HB GLN 33 -12.545 -10.153 -7.796 262 1HG GLN 33 1HG GLN 33 -13.570 -11.180 -5.965 263 2HG GLN 33 2HG GLN 33 -13.291 -9.796 -4.908 264 2HE2 GLN 33 2HE2 GLN 33 -15.525 -11.224 -7.162 265 1HE2 GLN 33 1HE2 GLN 33 -16.680 -9.980 -7.117 266 H LEU 34 H LEU 34 -9.807 -11.040 -7.865 267 HA LEU 34 HA LEU 34 -10.216 -13.509 -6.348 268 1HB LEU 34 1HB LEU 34 -8.827 -13.090 -8.994 269 2HB LEU 34 2HB LEU 34 -9.224 -14.631 -8.270 270 HG LEU 34 HG LEU 34 -10.827 -14.246 -9.985 271 1HD1 LEU 34 1HD1 LEU 34 -11.620 -14.874 -7.558 272 2HD1 LEU 34 2HD1 LEU 34 -12.365 -13.277 -7.594 273 3HD1 LEU 34 3HD1 LEU 34 -12.818 -14.488 -8.793 274 1HD2 LEU 34 1HD2 LEU 34 -10.294 -11.620 -9.713 275 2HD2 LEU 34 2HD2 LEU 34 -11.748 -12.209 -10.521 276 3HD2 LEU 34 3HD2 LEU 34 -11.824 -11.684 -8.839 277 H CYS 35 H CYS 35 -8.793 -12.185 -4.700 278 HA CYS 35 HA CYS 35 -6.006 -13.098 -5.096 279 1HB CYS 35 1HB CYS 35 -7.014 -10.455 -4.102 280 2HB CYS 35 2HB CYS 35 -5.462 -11.075 -3.545 281 H SER 36 H SER 36 -8.567 -14.025 -3.539 282 HA SER 36 HA SER 36 -8.920 -15.230 -1.616 283 1HB SER 36 1HB SER 36 -6.170 -14.807 -0.569 284 2HB SER 36 2HB SER 36 -7.152 -16.269 -0.599 285 HG SER 36 HG SER 36 -6.797 -16.273 -2.908 286 H LYS 37 H LYS 37 -6.476 -12.832 -0.654 287 HA LYS 37 HA LYS 37 -8.488 -11.471 1.001 288 1HB LYS 37 1HB LYS 37 -7.321 -13.146 2.449 289 2HB LYS 37 2HB LYS 37 -5.796 -12.339 2.087 290 1HG LYS 37 1HG LYS 37 -6.357 -10.432 3.291 291 2HG LYS 37 2HG LYS 37 -8.090 -10.702 3.107 292 1HD LYS 37 1HD LYS 37 -7.712 -11.269 5.356 293 2HD LYS 37 2HD LYS 37 -7.675 -12.834 4.545 294 1HE LYS 37 1HE LYS 37 -5.077 -12.165 4.299 295 2HE LYS 37 2HE LYS 37 -5.454 -11.290 5.784 296 1HZ LYS 37 1HZ LYS 37 -6.253 -14.109 5.428 297 2HZ LYS 37 2HZ LYS 37 -4.696 -13.704 5.973 298 3HZ LYS 37 3HZ LYS 37 -6.062 -13.233 6.868 299 HA PRO 38 HA PRO 38 -5.544 -8.592 -1.134 300 1HB PRO 38 1HB PRO 38 -7.375 -7.282 -2.673 301 2HB PRO 38 2HB PRO 38 -6.554 -8.766 -3.175 302 1HG PRO 38 1HG PRO 38 -9.356 -8.370 -2.330 303 2HG PRO 38 2HG PRO 38 -8.657 -9.638 -3.344 304 1HD PRO 38 1HD PRO 38 -9.366 -9.841 -0.584 305 2HD PRO 38 2HD PRO 38 -8.512 -11.056 -1.563 306 H GLY 39 H GLY 39 -6.086 -6.061 -1.585 307 1HA GLY 39 1HA GLY 39 -6.191 -4.758 0.859 308 2HA GLY 39 2HA GLY 39 -7.841 -4.743 0.235 309 H VAL 40 H VAL 40 -4.797 -3.255 0.144 310 HA VAL 40 HA VAL 40 -5.081 -2.071 -2.489 311 HB VAL 40 HB VAL 40 -5.249 -0.250 -0.073 312 1HG1 VAL 40 1HG1 VAL 40 -4.211 0.342 -2.470 313 2HG1 VAL 40 2HG1 VAL 40 -5.916 0.587 -2.847 314 3HG1 VAL 40 3HG1 VAL 40 -5.158 1.501 -1.543 315 1HG2 VAL 40 1HG2 VAL 40 -7.377 -1.131 -2.040 316 2HG2 VAL 40 2HG2 VAL 40 -7.368 -1.419 -0.299 317 3HG2 VAL 40 3HG2 VAL 40 -7.559 0.220 -0.922 318 H ILE 41 H ILE 41 -3.176 -1.404 -3.268 319 HA ILE 41 HA ILE 41 -0.852 -1.604 -1.473 320 HB ILE 41 HB ILE 41 -1.176 -1.853 -4.466 321 1HG1 ILE 41 1HG1 ILE 41 0.041 -4.026 -3.937 322 2HG1 ILE 41 2HG1 ILE 41 -0.202 -3.640 -2.234 323 1HG2 ILE 41 1HG2 ILE 41 1.434 -1.720 -2.916 324 2HG2 ILE 41 2HG2 ILE 41 1.275 -2.113 -4.628 325 3HG2 ILE 41 3HG2 ILE 41 0.859 -0.499 -4.052 326 1HD1 ILE 41 1HD1 ILE 41 -2.598 -3.448 -3.980 327 2HD1 ILE 41 2HD1 ILE 41 -1.983 -5.071 -3.671 328 3HD1 ILE 41 3HD1 ILE 41 -2.457 -4.036 -2.324 329 H PHE 42 H PHE 42 0.484 0.093 -1.129 330 HA PHE 42 HA PHE 42 -0.423 2.708 -2.126 331 1HB PHE 42 1HB PHE 42 1.149 1.784 0.249 332 2HB PHE 42 2HB PHE 42 1.424 3.414 -0.362 333 HD1 PHE 42 HD1 PHE 42 -1.121 1.097 1.014 334 HD2 PHE 42 HD2 PHE 42 -0.230 5.139 -0.132 335 HE1 PHE 42 HE1 PHE 42 -3.188 1.873 2.143 336 HE2 PHE 42 HE2 PHE 42 -2.296 5.915 0.993 337 HZ PHE 42 HZ PHE 42 -3.774 4.283 2.135 338 H LEU 43 H LEU 43 0.622 3.612 -3.772 339 HA LEU 43 HA LEU 43 3.296 2.631 -4.495 340 1HB LEU 43 1HB LEU 43 1.533 4.570 -5.986 341 2HB LEU 43 2HB LEU 43 2.974 3.783 -6.590 342 HG LEU 43 HG LEU 43 0.711 2.049 -5.702 343 1HD1 LEU 43 1HD1 LEU 43 0.782 3.619 -8.298 344 2HD1 LEU 43 2HD1 LEU 43 -0.321 2.287 -7.956 345 3HD1 LEU 43 3HD1 LEU 43 -0.421 3.777 -7.018 346 1HD2 LEU 43 1HD2 LEU 43 2.997 1.284 -6.579 347 2HD2 LEU 43 2HD2 LEU 43 1.587 0.593 -7.382 348 3HD2 LEU 43 3HD2 LEU 43 2.486 1.902 -8.149 349 H THR 44 H THR 44 4.738 3.640 -3.134 350 HA THR 44 HA THR 44 4.519 6.333 -2.289 351 HB THR 44 HB THR 44 6.839 6.104 -1.565 352 HG1 THR 44 HG1 THR 44 6.737 3.764 -3.159 353 1HG2 THR 44 1HG2 THR 44 4.801 4.031 -1.057 354 2HG2 THR 44 2HG2 THR 44 6.447 3.557 -0.638 355 3HG2 THR 44 3HG2 THR 44 5.734 5.000 0.084 356 H LYS 45 H LYS 45 6.127 8.045 -2.837 357 HA LYS 45 HA LYS 45 5.981 8.739 -5.556 358 1HB LYS 45 1HB LYS 45 7.748 9.749 -3.324 359 2HB LYS 45 2HB LYS 45 7.767 10.446 -4.944 360 1HG LYS 45 1HG LYS 45 5.632 11.319 -4.748 361 2HG LYS 45 2HG LYS 45 5.122 10.087 -3.592 362 1HD LYS 45 1HD LYS 45 5.371 11.813 -2.104 363 2HD LYS 45 2HD LYS 45 7.053 11.284 -2.134 364 1HE LYS 45 1HE LYS 45 7.191 12.915 -4.217 365 2HE LYS 45 2HE LYS 45 5.794 13.665 -3.445 366 1HZ LYS 45 1HZ LYS 45 8.302 13.064 -1.988 367 2HZ LYS 45 2HZ LYS 45 8.024 14.550 -2.762 368 3HZ LYS 45 3HZ LYS 45 7.017 14.057 -1.489 369 H ARG 46 H ARG 46 8.839 7.732 -3.675 370 HA ARG 46 HA ARG 46 9.994 6.644 -6.170 371 1HB ARG 46 1HB ARG 46 10.974 8.876 -5.243 372 2HB ARG 46 2HB ARG 46 11.720 7.830 -4.033 373 1HG ARG 46 1HG ARG 46 12.506 6.398 -6.035 374 2HG ARG 46 2HG ARG 46 12.102 7.799 -7.025 375 1HD ARG 46 1HD ARG 46 13.775 9.108 -6.107 376 2HD ARG 46 2HD ARG 46 13.767 8.231 -4.581 377 HE ARG 46 HE ARG 46 14.695 6.641 -6.808 378 1HH1 ARG 46 1HH1 ARG 46 15.615 8.960 -4.352 379 2HH1 ARG 46 2HH1 ARG 46 17.277 8.479 -4.359 380 1HH2 ARG 46 1HH2 ARG 46 16.870 6.046 -6.785 381 2HH2 ARG 46 2HH2 ARG 46 17.983 6.843 -5.724 382 H GLY 47 H GLY 47 8.873 5.836 -3.157 383 1HA GLY 47 1HA GLY 47 9.360 4.183 -1.620 384 2HA GLY 47 2HA GLY 47 10.978 4.074 -2.305 385 H ARG 48 H ARG 48 8.006 2.559 -1.989 386 HA ARG 48 HA ARG 48 8.173 0.977 -4.438 387 1HB ARG 48 1HB ARG 48 8.431 -0.421 -1.763 388 2HB ARG 48 2HB ARG 48 8.526 -1.146 -3.366 389 1HG ARG 48 1HG ARG 48 10.560 0.223 -3.822 390 2HG ARG 48 2HG ARG 48 10.485 0.814 -2.165 391 1HD ARG 48 1HD ARG 48 10.462 -1.686 -1.493 392 2HD ARG 48 2HD ARG 48 11.029 -1.984 -3.133 393 HE ARG 48 HE ARG 48 12.568 -0.893 -0.959 394 1HH1 ARG 48 1HH1 ARG 48 12.185 -0.915 -4.439 395 2HH1 ARG 48 2HH1 ARG 48 13.835 -0.492 -4.736 396 1HH2 ARG 48 1HH2 ARG 48 14.711 -0.342 -1.392 397 2HH2 ARG 48 2HH2 ARG 48 15.255 -0.170 -3.028 398 H GLN 49 H GLN 49 6.602 -1.162 -3.637 399 HA GLN 49 HA GLN 49 4.027 0.171 -3.149 400 1HB GLN 49 1HB GLN 49 4.869 -2.343 -4.535 401 2HB GLN 49 2HB GLN 49 3.247 -2.254 -3.850 402 1HG GLN 49 1HG GLN 49 2.595 -0.520 -5.266 403 2HG GLN 49 2HG GLN 49 4.254 0.018 -5.533 404 2HE2 GLN 49 2HE2 GLN 49 1.786 -1.386 -7.176 405 1HE2 GLN 49 1HE2 GLN 49 2.660 -2.367 -8.249 406 H VAL 50 H VAL 50 2.641 -0.493 -1.512 407 HA VAL 50 HA VAL 50 3.609 -2.590 0.322 408 HB VAL 50 HB VAL 50 2.732 0.180 1.193 409 1HG1 VAL 50 1HG1 VAL 50 3.366 -2.366 2.682 410 2HG1 VAL 50 2HG1 VAL 50 3.606 -0.793 3.444 411 3HG1 VAL 50 3HG1 VAL 50 1.998 -1.273 2.900 412 1HG2 VAL 50 1HG2 VAL 50 5.061 -0.062 0.217 413 2HG2 VAL 50 2HG2 VAL 50 5.009 0.500 1.888 414 3HG2 VAL 50 3HG2 VAL 50 5.415 -1.179 1.536 415 H CYS 51 H CYS 51 2.048 -3.997 0.713 416 HA CYS 51 HA CYS 51 -0.683 -3.502 -0.057 417 1HB CYS 51 1HB CYS 51 0.852 -5.790 1.081 418 2HB CYS 51 2HB CYS 51 -0.889 -5.773 1.354 419 H ALA 52 H ALA 52 -2.024 -2.310 1.136 420 HA ALA 52 HA ALA 52 -1.912 -2.601 4.072 421 1HB ALA 52 1HB ALA 52 -0.881 -0.419 3.102 422 2HB ALA 52 2HB ALA 52 -2.557 0.043 2.805 423 3HB ALA 52 3HB ALA 52 -2.014 -0.300 4.448 424 H ASP 53 H ASP 53 -3.832 -2.672 5.106 425 HA ASP 53 HA ASP 53 -6.237 -2.786 3.412 426 1HB ASP 53 1HB ASP 53 -5.428 -4.028 6.000 427 2HB ASP 53 2HB ASP 53 -7.137 -3.650 5.783 428 H LYS 54 H LYS 54 -8.283 -2.062 4.709 429 HA LYS 54 HA LYS 54 -7.712 0.668 5.657 430 1HB LYS 54 1HB LYS 54 -10.134 1.067 5.263 431 2HB LYS 54 2HB LYS 54 -9.283 0.538 3.814 432 1HG LYS 54 1HG LYS 54 -10.412 -1.636 5.479 433 2HG LYS 54 2HG LYS 54 -11.597 -0.595 4.690 434 1HD LYS 54 1HD LYS 54 -11.000 -1.278 2.581 435 2HD LYS 54 2HD LYS 54 -9.307 -1.504 3.021 436 1HE LYS 54 1HE LYS 54 -9.646 -3.651 3.787 437 2HE LYS 54 2HE LYS 54 -11.306 -3.324 4.283 438 1HZ LYS 54 1HZ LYS 54 -11.856 -3.166 1.871 439 2HZ LYS 54 2HZ LYS 54 -10.298 -3.751 1.529 440 3HZ LYS 54 3HZ LYS 54 -11.395 -4.717 2.389 441 H SER 55 H SER 55 -7.368 -1.745 7.301 442 HA SER 55 HA SER 55 -9.504 -1.452 9.299 443 1HB SER 55 1HB SER 55 -8.271 -3.705 8.387 444 2HB SER 55 2HB SER 55 -7.314 -3.357 9.822 445 HG SER 55 HG SER 55 -10.052 -3.926 9.567 446 H LYS 56 H LYS 56 -6.070 -0.976 8.779 447 HA LYS 56 HA LYS 56 -5.372 -0.370 11.471 448 1HB LYS 56 1HB LYS 56 -4.038 0.587 8.925 449 2HB LYS 56 2HB LYS 56 -3.320 0.555 10.536 450 1HG LYS 56 1HG LYS 56 -4.444 -2.010 9.526 451 2HG LYS 56 2HG LYS 56 -2.960 -1.438 8.764 452 1HD LYS 56 1HD LYS 56 -2.135 -2.686 10.564 453 2HD LYS 56 2HD LYS 56 -2.152 -1.050 11.224 454 1HE LYS 56 1HE LYS 56 -3.891 -1.495 12.649 455 2HE LYS 56 2HE LYS 56 -4.658 -2.620 11.528 456 1HZ LYS 56 1HZ LYS 56 -2.672 -4.112 12.025 457 2HZ LYS 56 2HZ LYS 56 -2.397 -3.104 13.366 458 3HZ LYS 56 3HZ LYS 56 -3.858 -3.963 13.229 459 H ASP 57 H ASP 57 -4.174 2.018 11.572 460 HA ASP 57 HA ASP 57 -6.411 3.911 11.194 461 1HB ASP 57 1HB ASP 57 -5.454 3.352 13.552 462 2HB ASP 57 2HB ASP 57 -4.114 4.392 13.069 463 H TRP 58 H TRP 58 -3.025 3.321 10.566 464 HA TRP 58 HA TRP 58 -2.531 6.017 9.646 465 1HB TRP 58 1HB TRP 58 -0.329 5.149 8.924 466 2HB TRP 58 2HB TRP 58 -0.670 4.817 10.617 467 HD1 TRP 58 HD1 TRP 58 -1.167 2.293 11.308 468 HE1 TRP 58 HE1 TRP 58 -0.580 0.062 10.160 469 HE3 TRP 58 HE3 TRP 58 -0.084 3.976 6.617 470 HZ2 TRP 58 HZ2 TRP 58 0.243 -0.888 7.576 471 HZ3 TRP 58 HZ3 TRP 58 0.599 2.397 4.836 472 HH2 TRP 58 HH2 TRP 58 0.762 -0.028 5.309 473 H VAL 59 H VAL 59 -3.665 3.048 8.261 474 HA VAL 59 HA VAL 59 -3.041 3.749 5.533 475 HB VAL 59 HB VAL 59 -5.071 1.742 6.539 476 1HG1 VAL 59 1HG1 VAL 59 -3.920 2.486 3.896 477 2HG1 VAL 59 2HG1 VAL 59 -4.100 0.760 4.217 478 3HG1 VAL 59 3HG1 VAL 59 -5.507 1.822 4.284 479 1HG2 VAL 59 1HG2 VAL 59 -2.731 1.420 7.435 480 2HG2 VAL 59 2HG2 VAL 59 -3.303 0.096 6.419 481 3HG2 VAL 59 3HG2 VAL 59 -2.176 1.285 5.767 482 H LYS 60 H LYS 60 -5.723 4.169 7.748 483 HA LYS 60 HA LYS 60 -7.664 4.962 5.822 484 1HB LYS 60 1HB LYS 60 -8.019 4.246 8.282 485 2HB LYS 60 2HB LYS 60 -7.634 5.922 8.675 486 1HG LYS 60 1HG LYS 60 -9.529 6.752 7.608 487 2HG LYS 60 2HG LYS 60 -9.659 5.358 6.535 488 1HD LYS 60 1HD LYS 60 -10.155 3.987 8.657 489 2HD LYS 60 2HD LYS 60 -10.405 5.541 9.455 490 1HE LYS 60 1HE LYS 60 -12.208 6.110 7.998 491 2HE LYS 60 2HE LYS 60 -11.817 4.799 6.886 492 1HZ LYS 60 1HZ LYS 60 -12.253 3.285 8.863 493 2HZ LYS 60 2HZ LYS 60 -13.001 4.627 9.588 494 3HZ LYS 60 3HZ LYS 60 -13.603 4.007 8.129 495 H LYS 61 H LYS 61 -5.398 6.758 7.881 496 HA LYS 61 HA LYS 61 -6.249 9.353 7.169 497 1HB LYS 61 1HB LYS 61 -4.496 8.459 8.979 498 2HB LYS 61 2HB LYS 61 -3.355 8.887 7.703 499 1HG LYS 61 1HG LYS 61 -4.321 11.154 7.593 500 2HG LYS 61 2HG LYS 61 -5.468 10.729 8.865 501 1HD LYS 61 1HD LYS 61 -3.776 11.761 10.097 502 2HD LYS 61 2HD LYS 61 -3.303 10.065 10.203 503 1HE LYS 61 1HE LYS 61 -1.527 10.323 8.744 504 2HE LYS 61 2HE LYS 61 -2.294 11.658 7.882 505 1HZ LYS 61 1HZ LYS 61 -2.010 12.869 10.134 506 2HZ LYS 61 2HZ LYS 61 -0.823 11.691 10.430 507 3HZ LYS 61 3HZ LYS 61 -0.680 12.728 9.091 508 H LEU 62 H LEU 62 -3.800 7.206 5.766 509 HA LEU 62 HA LEU 62 -2.788 9.010 3.845 510 1HB LEU 62 1HB LEU 62 -3.027 6.010 3.687 511 2HB LEU 62 2HB LEU 62 -2.058 7.004 2.623 512 HG LEU 62 HG LEU 62 -1.569 7.082 5.581 513 1HD1 LEU 62 1HD1 LEU 62 -0.968 4.878 3.647 514 2HD1 LEU 62 2HD1 LEU 62 0.243 5.280 4.866 515 3HD1 LEU 62 3HD1 LEU 62 -1.376 4.785 5.359 516 1HD2 LEU 62 1HD2 LEU 62 -0.201 7.836 3.049 517 2HD2 LEU 62 2HD2 LEU 62 -0.152 8.617 4.629 518 3HD2 LEU 62 3HD2 LEU 62 0.830 7.184 4.323 519 H MET 63 H MET 63 -5.389 6.620 3.704 520 HA MET 63 HA MET 63 -6.114 6.813 1.027 521 1HB MET 63 1HB MET 63 -7.701 6.266 3.520 522 2HB MET 63 2HB MET 63 -8.498 6.359 1.950 523 1HG MET 63 1HG MET 63 -6.438 4.749 1.290 524 2HG MET 63 2HG MET 63 -6.595 4.321 2.992 525 1HE MET 63 1HE MET 63 -7.177 3.680 -0.218 526 2HE MET 63 2HE MET 63 -7.455 2.046 0.398 527 3HE MET 63 3HE MET 63 -8.721 2.881 -0.499 528 H GLN 64 H GLN 64 -6.883 8.944 3.713 529 HA GLN 64 HA GLN 64 -8.651 10.600 2.099 530 1HB GLN 64 1HB GLN 64 -7.622 10.829 4.931 531 2HB GLN 64 2HB GLN 64 -8.627 12.064 4.173 532 1HG GLN 64 1HG GLN 64 -10.379 10.379 3.745 533 2HG GLN 64 2HG GLN 64 -9.377 9.145 4.509 534 2HE2 GLN 64 2HE2 GLN 64 -11.328 12.038 5.140 535 1HE2 GLN 64 1HE2 GLN 64 -11.383 11.841 6.825 536 H GLN 65 H GLN 65 -5.337 10.582 3.234 537 HA GLN 65 HA GLN 65 -4.748 13.302 2.590 538 1HB GLN 65 1HB GLN 65 -3.157 10.879 3.296 539 2HB GLN 65 2HB GLN 65 -2.322 12.240 2.550 540 1HG GLN 65 1HG GLN 65 -4.194 12.993 4.709 541 2HG GLN 65 2HG GLN 65 -2.827 12.015 5.238 542 2HE2 GLN 65 2HE2 GLN 65 -0.612 12.859 4.655 543 1HE2 GLN 65 1HE2 GLN 65 -0.399 14.532 4.463 544 H LEU 66 H LEU 66 -4.487 10.230 0.869 545 HA LEU 66 HA LEU 66 -3.587 11.699 -1.531 546 1HB LEU 66 1HB LEU 66 -3.326 8.801 -0.782 547 2HB LEU 66 2HB LEU 66 -2.973 9.423 -2.378 548 HG LEU 66 HG LEU 66 -0.897 9.228 -1.266 549 1HD1 LEU 66 1HD1 LEU 66 -1.518 11.498 -2.403 550 2HD1 LEU 66 2HD1 LEU 66 -1.484 12.128 -0.757 551 3HD1 LEU 66 3HD1 LEU 66 -0.037 11.394 -1.450 552 1HD2 LEU 66 1HD2 LEU 66 -2.269 9.352 1.045 553 2HD2 LEU 66 2HD2 LEU 66 -0.526 9.610 0.968 554 3HD2 LEU 66 3HD2 LEU 66 -1.621 10.992 1.015 555 HA PRO 67 HA PRO 67 -7.537 10.733 -3.267 556 1HB PRO 67 1HB PRO 67 -6.967 11.031 -5.930 557 2HB PRO 67 2HB PRO 67 -7.172 12.385 -4.808 558 1HG PRO 67 1HG PRO 67 -4.687 11.284 -5.994 559 2HG PRO 67 2HG PRO 67 -5.042 12.928 -5.440 560 1HD PRO 67 1HD PRO 67 -3.538 10.990 -4.034 561 2HD PRO 67 2HD PRO 67 -4.180 12.508 -3.363 562 H VAL 68 H VAL 68 -5.546 9.486 -5.928 563 HA VAL 68 HA VAL 68 -5.393 6.811 -5.253 564 HB VAL 68 HB VAL 68 -8.084 7.428 -5.564 565 1HG1 VAL 68 1HG1 VAL 68 -7.622 7.599 -8.087 566 2HG1 VAL 68 2HG1 VAL 68 -7.377 5.853 -8.036 567 3HG1 VAL 68 3HG1 VAL 68 -8.936 6.538 -7.578 568 1HG2 VAL 68 1HG2 VAL 68 -6.756 5.396 -4.600 569 2HG2 VAL 68 2HG2 VAL 68 -8.413 5.162 -5.155 570 3HG2 VAL 68 3HG2 VAL 68 -7.063 4.677 -6.181 571 H THR 69 H THR 69 -4.969 5.402 -7.181 572 HA THR 69 HA THR 69 -3.150 6.671 -8.926 573 HB THR 69 HB THR 69 -3.627 4.387 -10.255 574 HG1 THR 69 HG1 THR 69 -5.164 3.408 -9.200 575 1HG2 THR 69 1HG2 THR 69 -1.569 5.157 -8.974 576 2HG2 THR 69 2HG2 THR 69 -2.267 4.380 -7.554 577 3HG2 THR 69 3HG2 THR 69 -1.855 3.418 -8.973 578 H ALA 70 H ALA 70 -3.272 7.223 -11.088 579 HA ALA 70 HA ALA 70 -4.236 8.037 -13.010 580 1HB ALA 70 1HB ALA 70 -6.002 5.730 -12.305 581 2HB ALA 70 2HB ALA 70 -5.001 5.982 -13.735 582 3HB ALA 70 3HB ALA 70 -6.532 6.842 -13.567 583 H ARG 71 H ARG 71 -6.169 9.213 -13.856 584 HA ARG 71 HA ARG 71 -7.039 11.154 -11.999 585 1HB ARG 71 1HB ARG 71 -8.602 11.864 -13.816 586 2HB ARG 71 2HB ARG 71 -6.933 11.690 -14.361 587 1HG ARG 71 1HG ARG 71 -7.398 9.846 -15.646 588 2HG ARG 71 2HG ARG 71 -8.656 9.271 -14.551 589 1HD ARG 71 1HD ARG 71 -9.832 11.539 -15.401 590 2HD ARG 71 2HD ARG 71 -8.845 11.189 -16.816 591 HE ARG 71 HE ARG 71 -10.308 9.471 -17.306 592 1HH1 ARG 71 1HH1 ARG 71 -10.530 10.211 -13.892 593 2HH1 ARG 71 2HH1 ARG 71 -11.824 9.095 -13.618 594 1HH2 ARG 71 1HH2 ARG 71 -11.994 8.028 -16.905 595 2HH2 ARG 71 2HH2 ARG 71 -12.647 7.868 -15.309 No H/Q in entry = 595 Start of MODEL 7 1 H1 LEU 1 H1 LEU 1 16.377 -5.725 5.132 2 H2 LEU 1 H2 LEU 1 17.209 -4.257 4.932 3 H3 LEU 1 H3 LEU 1 15.878 -4.340 5.980 4 HA LEU 1 HA LEU 1 14.349 -4.560 4.232 5 1HB LEU 1 1HB LEU 1 16.476 -2.489 3.948 6 2HB LEU 1 2HB LEU 1 15.333 -2.658 2.614 7 HG LEU 1 HG LEU 1 13.473 -2.542 4.343 8 1HD1 LEU 1 1HD1 LEU 1 15.891 -2.071 6.047 9 2HD1 LEU 1 2HD1 LEU 1 14.408 -1.198 6.431 10 3HD1 LEU 1 3HD1 LEU 1 14.415 -2.961 6.421 11 1HD2 LEU 1 1HD2 LEU 1 14.237 -0.619 2.897 12 2HD2 LEU 1 2HD2 LEU 1 13.528 -0.122 4.434 13 3HD2 LEU 1 3HD2 LEU 1 15.279 -0.108 4.226 14 H GLY 2 H GLY 2 14.049 -4.594 1.818 15 1HA GLY 2 1HA GLY 2 16.150 -6.203 0.489 16 2HA GLY 2 2HA GLY 2 15.023 -5.148 -0.359 17 H ALA 3 H ALA 3 13.332 -6.107 -1.273 18 HA ALA 3 HA ALA 3 12.255 -8.578 -0.071 19 1HB ALA 3 1HB ALA 3 10.389 -8.034 -1.854 20 2HB ALA 3 2HB ALA 3 10.435 -7.168 -0.319 21 3HB ALA 3 3HB ALA 3 11.084 -6.414 -1.776 22 H SER 4 H SER 4 11.112 -9.920 -1.968 23 HA SER 4 HA SER 4 13.319 -10.774 -3.680 24 1HB SER 4 1HB SER 4 11.970 -12.445 -2.411 25 2HB SER 4 2HB SER 4 10.561 -11.983 -3.362 26 HG SER 4 HG SER 4 11.286 -13.340 -4.783 27 H TRP 5 H TRP 5 12.228 -11.763 -5.879 28 HA TRP 5 HA TRP 5 10.509 -9.742 -7.119 29 1HB TRP 5 1HB TRP 5 13.287 -9.596 -7.411 30 2HB TRP 5 2HB TRP 5 12.745 -10.395 -8.885 31 HD1 TRP 5 HD1 TRP 5 13.594 -7.143 -7.997 32 HE1 TRP 5 HE1 TRP 5 12.166 -5.334 -9.152 33 HE3 TRP 5 HE3 TRP 5 9.635 -9.984 -9.530 34 HZ2 TRP 5 HZ2 TRP 5 9.676 -5.119 -10.541 35 HZ3 TRP 5 HZ3 TRP 5 7.753 -8.953 -10.766 36 HH2 TRP 5 HH2 TRP 5 7.767 -6.526 -11.273 37 H HIS 6 H HIS 6 9.961 -12.400 -6.401 38 HA HIS 6 HA HIS 6 9.651 -13.631 -9.073 39 1HB HIS 6 1HB HIS 6 11.328 -14.763 -7.428 40 2HB HIS 6 2HB HIS 6 9.875 -15.302 -6.586 41 HD1 HIS 6 HD1 HIS 6 8.317 -16.976 -7.825 42 HD2 HIS 6 HD2 HIS 6 11.730 -15.949 -9.987 43 HE1 HIS 6 HE1 HIS 6 8.465 -18.614 -9.750 44 H ARG 7 H ARG 7 7.859 -11.871 -7.617 45 HA ARG 7 HA ARG 7 5.543 -13.681 -7.470 46 1HB ARG 7 1HB ARG 7 6.262 -11.605 -5.388 47 2HB ARG 7 2HB ARG 7 4.696 -12.411 -5.490 48 1HG ARG 7 1HG ARG 7 5.684 -14.563 -5.082 49 2HG ARG 7 2HG ARG 7 7.314 -13.914 -5.262 50 1HD ARG 7 1HD ARG 7 6.803 -14.187 -2.890 51 2HD ARG 7 2HD ARG 7 6.937 -12.475 -3.275 52 HE ARG 7 HE ARG 7 4.229 -13.346 -3.494 53 1HH1 ARG 7 1HH1 ARG 7 6.702 -12.546 -1.149 54 2HH1 ARG 7 2HH1 ARG 7 5.561 -12.078 0.064 55 1HH2 ARG 7 1HH2 ARG 7 2.776 -12.726 -1.884 56 2HH2 ARG 7 2HH2 ARG 7 3.357 -12.179 -0.347 57 HA PRO 8 HA PRO 8 3.746 -10.390 -9.823 58 1HB PRO 8 1HB PRO 8 1.104 -11.036 -9.564 59 2HB PRO 8 2HB PRO 8 2.240 -11.937 -10.579 60 1HG PRO 8 1HG PRO 8 1.042 -12.689 -7.982 61 2HG PRO 8 2HG PRO 8 1.674 -13.721 -9.274 62 1HD PRO 8 1HD PRO 8 2.986 -13.045 -6.837 63 2HD PRO 8 2HD PRO 8 3.693 -13.903 -8.227 64 H ASP 9 H ASP 9 1.854 -8.739 -9.695 65 HA ASP 9 HA ASP 9 1.880 -7.561 -6.988 66 1HB ASP 9 1HB ASP 9 1.244 -6.243 -9.639 67 2HB ASP 9 2HB ASP 9 1.381 -5.435 -8.076 68 H LYS 10 H LYS 10 0.094 -9.719 -7.756 69 HA LYS 10 HA LYS 10 -2.490 -8.302 -7.478 70 1HB LYS 10 1HB LYS 10 -1.708 -10.563 -9.252 71 2HB LYS 10 2HB LYS 10 -3.313 -10.624 -8.521 72 1HG LYS 10 1HG LYS 10 -3.481 -9.474 -10.656 73 2HG LYS 10 2HG LYS 10 -3.724 -8.298 -9.363 74 1HD LYS 10 1HD LYS 10 -1.743 -7.221 -9.782 75 2HD LYS 10 2HD LYS 10 -0.923 -8.703 -10.276 76 1HE LYS 10 1HE LYS 10 -1.837 -8.629 -12.449 77 2HE LYS 10 2HE LYS 10 -3.110 -7.506 -11.970 78 1HZ LYS 10 1HZ LYS 10 -1.409 -5.817 -11.596 79 2HZ LYS 10 2HZ LYS 10 -0.206 -6.900 -12.113 80 3HZ LYS 10 3HZ LYS 10 -1.395 -6.363 -13.201 81 H CYS 11 H CYS 11 -3.784 -8.941 -5.848 82 HA CYS 11 HA CYS 11 -4.456 -9.962 -3.909 83 1HB CYS 11 1HB CYS 11 -3.134 -12.377 -5.164 84 2HB CYS 11 2HB CYS 11 -4.260 -12.412 -3.807 85 H CYS 12 H CYS 12 -3.408 -9.170 -2.191 86 HA CYS 12 HA CYS 12 -0.613 -9.975 -1.723 87 1HB CYS 12 1HB CYS 12 -1.629 -7.500 -1.603 88 2HB CYS 12 2HB CYS 12 -1.976 -8.005 0.050 89 H LEU 13 H LEU 13 -0.012 -11.172 0.002 90 HA LEU 13 HA LEU 13 -2.175 -12.340 1.617 91 1HB LEU 13 1HB LEU 13 -0.275 -13.629 0.310 92 2HB LEU 13 2HB LEU 13 0.651 -13.277 1.751 93 HG LEU 13 HG LEU 13 -1.488 -14.329 2.942 94 1HD1 LEU 13 1HD1 LEU 13 -2.408 -14.572 0.460 95 2HD1 LEU 13 2HD1 LEU 13 -1.426 -16.037 0.484 96 3HD1 LEU 13 3HD1 LEU 13 -2.718 -15.823 1.665 97 1HD2 LEU 13 1HD2 LEU 13 0.900 -15.122 2.997 98 2HD2 LEU 13 2HD2 LEU 13 -0.278 -16.435 3.009 99 3HD2 LEU 13 3HD2 LEU 13 0.581 -16.035 1.521 100 H GLY 14 H GLY 14 0.775 -10.464 1.855 101 1HA GLY 14 1HA GLY 14 1.938 -10.133 4.005 102 2HA GLY 14 2HA GLY 14 0.362 -10.251 4.782 103 H TYR 15 H TYR 15 0.652 -8.206 5.753 104 HA TYR 15 HA TYR 15 0.494 -5.910 3.889 105 1HB TYR 15 1HB TYR 15 -1.041 -6.359 6.459 106 2HB TYR 15 2HB TYR 15 -0.989 -4.824 5.593 107 HD1 TYR 15 HD1 TYR 15 -2.061 -4.564 3.414 108 HD2 TYR 15 HD2 TYR 15 -2.215 -8.296 5.531 109 HE1 TYR 15 HE1 TYR 15 -3.862 -5.344 1.902 110 HE2 TYR 15 HE2 TYR 15 -4.017 -9.080 4.018 111 HH TYR 15 HH TYR 15 -5.884 -7.301 2.309 112 H GLN 16 H GLN 16 0.947 -3.799 5.118 113 HA GLN 16 HA GLN 16 3.549 -4.047 6.326 114 1HB GLN 16 1HB GLN 16 2.511 -2.085 4.862 115 2HB GLN 16 2HB GLN 16 2.038 -1.476 6.444 116 1HG GLN 16 1HG GLN 16 4.196 -0.547 5.998 117 2HG GLN 16 2HG GLN 16 4.453 -1.840 7.167 118 2HE2 GLN 16 2HE2 GLN 16 6.553 -0.954 5.431 119 1HE2 GLN 16 1HE2 GLN 16 6.916 -2.214 4.353 120 H LYS 17 H LYS 17 3.895 -4.493 8.383 121 HA LYS 17 HA LYS 17 1.793 -4.259 10.350 122 1HB LYS 17 1HB LYS 17 3.606 -6.076 10.270 123 2HB LYS 17 2HB LYS 17 4.688 -4.854 10.940 124 1HG LYS 17 1HG LYS 17 3.578 -4.779 12.967 125 2HG LYS 17 2HG LYS 17 2.032 -5.246 12.256 126 1HD LYS 17 1HD LYS 17 3.191 -7.526 11.786 127 2HD LYS 17 2HD LYS 17 4.373 -6.997 12.984 128 1HE LYS 17 1HE LYS 17 2.857 -8.068 14.369 129 2HE LYS 17 2HE LYS 17 2.187 -6.437 14.388 130 1HZ LYS 17 1HZ LYS 17 0.792 -7.151 12.452 131 2HZ LYS 17 2HZ LYS 17 1.298 -8.742 12.751 132 3HZ LYS 17 3HZ LYS 17 0.412 -7.898 13.930 133 H ARG 18 H ARG 18 4.148 -2.128 9.112 134 HA ARG 18 HA ARG 18 3.955 -0.454 11.543 135 1HB ARG 18 1HB ARG 18 6.202 -0.859 9.588 136 2HB ARG 18 2HB ARG 18 6.073 0.645 10.501 137 1HG ARG 18 1HG ARG 18 5.909 -0.766 12.602 138 2HG ARG 18 2HG ARG 18 6.334 -2.161 11.608 139 1HD ARG 18 1HD ARG 18 8.354 -0.748 10.836 140 2HD ARG 18 2HD ARG 18 7.996 0.280 12.219 141 HE ARG 18 HE ARG 18 8.906 -1.354 13.578 142 1HH1 ARG 18 1HH1 ARG 18 8.017 -2.783 10.508 143 2HH1 ARG 18 2HH1 ARG 18 8.707 -4.321 10.896 144 1HH2 ARG 18 1HH2 ARG 18 9.792 -3.375 14.043 145 2HH2 ARG 18 2HH2 ARG 18 9.704 -4.656 12.879 146 HA PRO 19 HA PRO 19 1.991 2.471 8.861 147 1HB PRO 19 1HB PRO 19 2.233 4.715 10.402 148 2HB PRO 19 2HB PRO 19 1.102 3.402 10.748 149 1HG PRO 19 1HG PRO 19 3.601 4.124 12.133 150 2HG PRO 19 2HG PRO 19 2.201 3.221 12.729 151 1HD PRO 19 1HD PRO 19 4.700 2.141 11.865 152 2HD PRO 19 2HD PRO 19 3.234 1.236 12.310 153 H LEU 20 H LEU 20 2.651 3.525 7.083 154 HA LEU 20 HA LEU 20 5.382 4.597 6.993 155 1HB LEU 20 1HB LEU 20 3.597 4.614 4.612 156 2HB LEU 20 2HB LEU 20 5.325 4.356 4.709 157 HG LEU 20 HG LEU 20 3.142 2.361 5.351 158 1HD1 LEU 20 1HD1 LEU 20 4.076 3.013 2.925 159 2HD1 LEU 20 2HD1 LEU 20 5.355 1.897 3.404 160 3HD1 LEU 20 3HD1 LEU 20 3.679 1.348 3.352 161 1HD2 LEU 20 1HD2 LEU 20 6.038 2.459 6.035 162 2HD2 LEU 20 2HD2 LEU 20 4.714 1.645 6.867 163 3HD2 LEU 20 3HD2 LEU 20 5.425 0.922 5.425 164 HA PRO 21 HA PRO 21 3.771 8.737 7.134 165 1HB PRO 21 1HB PRO 21 6.008 10.088 6.333 166 2HB PRO 21 2HB PRO 21 5.823 9.356 7.936 167 1HG PRO 21 1HG PRO 21 7.482 8.476 5.656 168 2HG PRO 21 2HG PRO 21 7.678 8.149 7.383 169 1HD PRO 21 1HD PRO 21 6.600 6.382 5.416 170 2HD PRO 21 2HD PRO 21 6.638 6.130 7.177 171 H GLN 22 H GLN 22 2.604 9.996 5.771 172 HA GLN 22 HA GLN 22 2.609 9.497 2.952 173 1HB GLN 22 1HB GLN 22 0.636 10.238 4.439 174 2HB GLN 22 2HB GLN 22 1.297 11.864 4.265 175 1HG GLN 22 1HG GLN 22 1.040 10.290 1.758 176 2HG GLN 22 2HG GLN 22 -0.472 10.795 2.512 177 2HE2 GLN 22 2HE2 GLN 22 -0.227 13.276 3.364 178 1HE2 GLN 22 1HE2 GLN 22 0.396 14.337 2.196 179 H VAL 23 H VAL 23 4.577 11.436 4.912 180 HA VAL 23 HA VAL 23 4.955 13.790 3.516 181 HB VAL 23 HB VAL 23 5.984 13.275 5.696 182 1HG1 VAL 23 1HG1 VAL 23 6.708 10.902 4.646 183 2HG1 VAL 23 2HG1 VAL 23 8.217 11.785 4.414 184 3HG1 VAL 23 3HG1 VAL 23 7.532 11.618 6.030 185 1HG2 VAL 23 1HG2 VAL 23 6.924 15.088 4.300 186 2HG2 VAL 23 2HG2 VAL 23 8.178 14.300 5.257 187 3HG2 VAL 23 3HG2 VAL 23 8.014 13.930 3.540 188 H LEU 24 H LEU 24 5.881 10.560 2.593 189 HA LEU 24 HA LEU 24 7.180 11.699 0.198 190 1HB LEU 24 1HB LEU 24 8.933 10.186 0.234 191 2HB LEU 24 2HB LEU 24 8.788 10.707 1.892 192 HG LEU 24 HG LEU 24 9.190 8.414 2.064 193 1HD1 LEU 24 1HD1 LEU 24 7.111 9.161 3.295 194 2HD1 LEU 24 2HD1 LEU 24 6.168 8.469 1.976 195 3HD1 LEU 24 3HD1 LEU 24 7.196 7.432 2.961 196 1HD2 LEU 24 1HD2 LEU 24 8.554 8.233 -0.529 197 2HD2 LEU 24 2HD2 LEU 24 8.624 6.812 0.513 198 3HD2 LEU 24 3HD2 LEU 24 7.070 7.563 0.147 199 H LEU 25 H LEU 25 4.571 9.962 1.228 200 HA LEU 25 HA LEU 25 4.549 7.860 -0.728 201 1HB LEU 25 1HB LEU 25 3.176 8.247 1.528 202 2HB LEU 25 2HB LEU 25 2.026 8.941 0.409 203 HG LEU 25 HG LEU 25 1.835 6.835 -0.774 204 1HD1 LEU 25 1HD1 LEU 25 4.352 6.288 0.599 205 2HD1 LEU 25 2HD1 LEU 25 3.198 4.971 0.813 206 3HD1 LEU 25 3HD1 LEU 25 3.651 5.492 -0.808 207 1HD2 LEU 25 1HD2 LEU 25 1.565 6.891 2.210 208 2HD2 LEU 25 2HD2 LEU 25 0.308 6.816 0.975 209 3HD2 LEU 25 3HD2 LEU 25 1.249 5.376 1.363 210 H SER 26 H SER 26 2.675 7.758 -2.327 211 HA SER 26 HA SER 26 2.324 10.395 -3.627 212 1HB SER 26 1HB SER 26 3.867 8.520 -4.711 213 2HB SER 26 2HB SER 26 2.314 7.900 -5.263 214 HG SER 26 HG SER 26 3.623 9.690 -6.463 215 H SER 27 H SER 27 1.049 7.072 -3.899 216 HA SER 27 HA SER 27 -1.636 7.942 -3.247 217 1HB SER 27 1HB SER 27 -1.522 6.634 -5.903 218 2HB SER 27 2HB SER 27 -2.636 7.853 -5.295 219 HG SER 27 HG SER 27 -1.293 8.796 -6.816 220 H TRP 28 H TRP 28 -3.061 5.815 -4.275 221 HA TRP 28 HA TRP 28 -1.652 3.364 -3.501 222 1HB TRP 28 1HB TRP 28 -3.619 2.727 -2.024 223 2HB TRP 28 2HB TRP 28 -2.547 3.964 -1.374 224 HD1 TRP 28 HD1 TRP 28 -3.418 6.502 -1.419 225 HE1 TRP 28 HE1 TRP 28 -5.803 7.477 -1.456 226 HE3 TRP 28 HE3 TRP 28 -6.050 2.363 -2.867 227 HZ2 TRP 28 HZ2 TRP 28 -8.470 6.616 -2.022 228 HZ3 TRP 28 HZ3 TRP 28 -8.505 2.474 -3.149 229 HH2 TRP 28 HH2 TRP 28 -9.720 4.593 -2.729 230 H TYR 29 H TYR 29 -2.292 1.637 -4.650 231 HA TYR 29 HA TYR 29 -4.719 1.968 -6.304 232 1HB TYR 29 1HB TYR 29 -3.714 0.671 -8.045 233 2HB TYR 29 2HB TYR 29 -2.551 1.903 -7.577 234 HD1 TYR 29 HD1 TYR 29 -0.576 1.272 -6.137 235 HD2 TYR 29 HD2 TYR 29 -3.262 -1.657 -7.766 236 HE1 TYR 29 HE1 TYR 29 1.108 -0.497 -5.731 237 HE2 TYR 29 HE2 TYR 29 -1.576 -3.428 -7.358 238 HH TYR 29 HH TYR 29 0.782 -3.294 -5.359 239 HA PRO 30 HA PRO 30 -6.012 -1.602 -3.932 240 1HB PRO 30 1HB PRO 30 -8.529 -1.814 -4.970 241 2HB PRO 30 2HB PRO 30 -8.063 -0.610 -3.758 242 1HG PRO 30 1HG PRO 30 -8.629 -0.253 -6.637 243 2HG PRO 30 2HG PRO 30 -8.734 0.916 -5.313 244 1HD PRO 30 1HD PRO 30 -6.636 0.691 -7.229 245 2HD PRO 30 2HD PRO 30 -6.654 1.725 -5.781 246 H THR 31 H THR 31 -5.436 -3.645 -4.325 247 HA THR 31 HA THR 31 -5.015 -4.717 -6.910 248 HB THR 31 HB THR 31 -3.788 -5.634 -5.049 249 HG1 THR 31 HG1 THR 31 -4.239 -7.152 -6.604 250 1HG2 THR 31 1HG2 THR 31 -6.536 -6.104 -3.912 251 2HG2 THR 31 2HG2 THR 31 -5.144 -7.026 -3.343 252 3HG2 THR 31 3HG2 THR 31 -5.167 -5.270 -3.176 253 H SER 32 H SER 32 -6.071 -6.995 -7.383 254 HA SER 32 HA SER 32 -8.737 -6.527 -8.157 255 1HB SER 32 1HB SER 32 -7.856 -9.341 -7.770 256 2HB SER 32 2HB SER 32 -8.654 -8.590 -9.147 257 HG SER 32 HG SER 32 -6.652 -8.771 -9.884 258 H GLN 33 H GLN 33 -10.698 -7.401 -7.414 259 HA GLN 33 HA GLN 33 -10.746 -7.853 -4.512 260 1HB GLN 33 1HB GLN 33 -12.276 -6.203 -5.929 261 2HB GLN 33 2HB GLN 33 -13.250 -7.663 -6.121 262 1HG GLN 33 1HG GLN 33 -13.391 -7.948 -3.711 263 2HG GLN 33 2HG GLN 33 -12.288 -6.596 -3.451 264 2HE2 GLN 33 2HE2 GLN 33 -13.771 -5.178 -2.387 265 1HE2 GLN 33 1HE2 GLN 33 -15.155 -4.555 -3.148 266 H LEU 34 H LEU 34 -9.996 -9.915 -6.639 267 HA LEU 34 HA LEU 34 -12.030 -11.940 -5.928 268 1HB LEU 34 1HB LEU 34 -10.122 -12.113 -8.248 269 2HB LEU 34 2HB LEU 34 -11.516 -13.119 -7.930 270 HG LEU 34 HG LEU 34 -12.119 -11.697 -9.729 271 1HD1 LEU 34 1HD1 LEU 34 -13.208 -10.640 -7.109 272 2HD1 LEU 34 2HD1 LEU 34 -13.850 -10.160 -8.679 273 3HD1 LEU 34 3HD1 LEU 34 -13.935 -11.846 -8.170 274 1HD2 LEU 34 1HD2 LEU 34 -10.184 -10.033 -8.942 275 2HD2 LEU 34 2HD2 LEU 34 -11.509 -9.482 -9.968 276 3HD2 LEU 34 3HD2 LEU 34 -11.551 -9.172 -8.233 277 H CYS 35 H CYS 35 -9.783 -11.115 -4.294 278 HA CYS 35 HA CYS 35 -8.018 -13.480 -4.449 279 1HB CYS 35 1HB CYS 35 -7.585 -11.022 -2.740 280 2HB CYS 35 2HB CYS 35 -6.413 -12.268 -3.154 281 H SER 36 H SER 36 -7.418 -14.494 -2.389 282 HA SER 36 HA SER 36 -9.678 -15.239 -0.869 283 1HB SER 36 1HB SER 36 -6.815 -15.497 0.053 284 2HB SER 36 2HB SER 36 -8.185 -16.519 0.479 285 HG SER 36 HG SER 36 -6.535 -17.025 -1.379 286 H LYS 37 H LYS 37 -7.182 -12.826 -0.399 287 HA LYS 37 HA LYS 37 -8.794 -11.432 1.550 288 1HB LYS 37 1HB LYS 37 -6.971 -11.414 3.284 289 2HB LYS 37 2HB LYS 37 -7.763 -12.979 3.089 290 1HG LYS 37 1HG LYS 37 -5.904 -13.962 2.184 291 2HG LYS 37 2HG LYS 37 -5.399 -12.487 1.358 292 1HD LYS 37 1HD LYS 37 -4.199 -11.725 3.157 293 2HD LYS 37 2HD LYS 37 -5.315 -12.426 4.329 294 1HE LYS 37 1HE LYS 37 -3.590 -14.204 2.619 295 2HE LYS 37 2HE LYS 37 -2.943 -13.480 4.091 296 1HZ LYS 37 1HZ LYS 37 -4.965 -14.404 5.233 297 2HZ LYS 37 2HZ LYS 37 -5.257 -15.308 3.825 298 3HZ LYS 37 3HZ LYS 37 -3.829 -15.550 4.712 299 HA PRO 38 HA PRO 38 -5.862 -8.886 -0.990 300 1HB PRO 38 1HB PRO 38 -7.739 -7.459 -2.366 301 2HB PRO 38 2HB PRO 38 -7.100 -9.019 -2.905 302 1HG PRO 38 1HG PRO 38 -9.749 -8.370 -1.765 303 2HG PRO 38 2HG PRO 38 -9.274 -9.705 -2.823 304 1HD PRO 38 1HD PRO 38 -9.694 -9.828 -0.008 305 2HD PRO 38 2HD PRO 38 -9.018 -11.108 -1.043 306 H GLY 39 H GLY 39 -6.064 -6.361 -1.387 307 1HA GLY 39 1HA GLY 39 -5.853 -5.013 1.000 308 2HA GLY 39 2HA GLY 39 -7.543 -4.830 0.534 309 H VAL 40 H VAL 40 -4.668 -3.312 0.425 310 HA VAL 40 HA VAL 40 -4.808 -2.324 -2.313 311 HB VAL 40 HB VAL 40 -5.164 -0.393 -0.006 312 1HG1 VAL 40 1HG1 VAL 40 -4.069 0.091 -2.431 313 2HG1 VAL 40 2HG1 VAL 40 -5.773 0.315 -2.821 314 3HG1 VAL 40 3HG1 VAL 40 -5.024 1.280 -1.550 315 1HG2 VAL 40 1HG2 VAL 40 -7.158 -1.482 -2.009 316 2HG2 VAL 40 2HG2 VAL 40 -7.212 -1.670 -0.256 317 3HG2 VAL 40 3HG2 VAL 40 -7.454 -0.080 -0.981 318 H ILE 41 H ILE 41 -2.895 -1.548 -3.019 319 HA ILE 41 HA ILE 41 -0.649 -1.646 -1.122 320 HB ILE 41 HB ILE 41 -0.787 -1.817 -4.139 321 1HG1 ILE 41 1HG1 ILE 41 0.399 -4.032 -3.536 322 2HG1 ILE 41 2HG1 ILE 41 -0.143 -3.712 -1.888 323 1HG2 ILE 41 1HG2 ILE 41 1.610 -1.557 -2.309 324 2HG2 ILE 41 2HG2 ILE 41 1.728 -2.295 -3.907 325 3HG2 ILE 41 3HG2 ILE 41 1.234 -0.607 -3.748 326 1HD1 ILE 41 1HD1 ILE 41 -2.104 -3.556 -4.160 327 2HD1 ILE 41 2HD1 ILE 41 -1.672 -5.125 -3.480 328 3HD1 ILE 41 3HD1 ILE 41 -2.405 -3.892 -2.454 329 H PHE 42 H PHE 42 0.938 0.019 -1.138 330 HA PHE 42 HA PHE 42 -0.101 2.634 -2.064 331 1HB PHE 42 1HB PHE 42 1.470 1.860 0.390 332 2HB PHE 42 2HB PHE 42 1.475 3.517 -0.214 333 HD1 PHE 42 HD1 PHE 42 -0.718 0.771 1.005 334 HD2 PHE 42 HD2 PHE 42 -0.395 4.956 0.095 335 HE1 PHE 42 HE1 PHE 42 -2.910 1.177 2.093 336 HE2 PHE 42 HE2 PHE 42 -2.587 5.361 1.181 337 HZ PHE 42 HZ PHE 42 -3.843 3.473 2.184 338 H LEU 43 H LEU 43 1.049 3.572 -3.620 339 HA LEU 43 HA LEU 43 3.788 2.617 -4.128 340 1HB LEU 43 1HB LEU 43 2.590 4.562 -5.995 341 2HB LEU 43 2HB LEU 43 3.510 3.111 -6.319 342 HG LEU 43 HG LEU 43 1.194 2.001 -5.455 343 1HD1 LEU 43 1HD1 LEU 43 0.312 4.429 -5.264 344 2HD1 LEU 43 2HD1 LEU 43 0.271 4.406 -7.027 345 3HD1 LEU 43 3HD1 LEU 43 -0.701 3.258 -6.107 346 1HD2 LEU 43 1HD2 LEU 43 1.793 3.025 -8.251 347 2HD2 LEU 43 2HD2 LEU 43 2.350 1.497 -7.567 348 3HD2 LEU 43 3HD2 LEU 43 0.630 1.757 -7.864 349 H THR 44 H THR 44 5.209 3.731 -2.905 350 HA THR 44 HA THR 44 4.866 6.419 -2.067 351 HB THR 44 HB THR 44 7.308 6.300 -1.525 352 HG1 THR 44 HG1 THR 44 7.703 4.830 -3.361 353 1HG2 THR 44 1HG2 THR 44 5.267 4.327 -0.653 354 2HG2 THR 44 2HG2 THR 44 6.931 4.003 -0.170 355 3HG2 THR 44 3HG2 THR 44 6.159 5.519 0.293 356 H LYS 45 H LYS 45 6.601 8.117 -2.631 357 HA LYS 45 HA LYS 45 6.291 8.850 -5.343 358 1HB LYS 45 1HB LYS 45 8.116 9.836 -3.152 359 2HB LYS 45 2HB LYS 45 8.167 10.511 -4.781 360 1HG LYS 45 1HG LYS 45 6.083 11.484 -4.595 361 2HG LYS 45 2HG LYS 45 5.493 10.252 -3.480 362 1HD LYS 45 1HD LYS 45 5.767 11.943 -1.955 363 2HD LYS 45 2HD LYS 45 7.424 11.338 -1.942 364 1HE LYS 45 1HE LYS 45 8.235 13.121 -3.148 365 2HE LYS 45 2HE LYS 45 6.728 13.339 -4.038 366 1HZ LYS 45 1HZ LYS 45 6.958 13.920 -1.145 367 2HZ LYS 45 2HZ LYS 45 7.286 15.089 -2.334 368 3HZ LYS 45 3HZ LYS 45 5.735 14.405 -2.216 369 H ARG 46 H ARG 46 9.226 7.849 -3.587 370 HA ARG 46 HA ARG 46 10.255 6.707 -6.114 371 1HB ARG 46 1HB ARG 46 11.346 8.895 -5.507 372 2HB ARG 46 2HB ARG 46 11.951 8.106 -4.049 373 1HG ARG 46 1HG ARG 46 13.379 6.705 -5.233 374 2HG ARG 46 2HG ARG 46 12.405 6.784 -6.701 375 1HD ARG 46 1HD ARG 46 13.067 9.230 -6.870 376 2HD ARG 46 2HD ARG 46 14.225 8.924 -5.580 377 HE ARG 46 HE ARG 46 14.529 7.047 -7.721 378 1HH1 ARG 46 1HH1 ARG 46 15.231 10.341 -6.763 379 2HH1 ARG 46 2HH1 ARG 46 16.615 10.464 -7.793 380 1HH2 ARG 46 1HH2 ARG 46 16.341 7.252 -9.049 381 2HH2 ARG 46 2HH2 ARG 46 17.239 8.732 -9.076 382 H GLY 47 H GLY 47 9.281 5.973 -3.030 383 1HA GLY 47 1HA GLY 47 9.792 4.327 -1.503 384 2HA GLY 47 2HA GLY 47 11.401 4.230 -2.212 385 H ARG 48 H ARG 48 8.467 2.683 -1.823 386 HA ARG 48 HA ARG 48 8.595 1.079 -4.256 387 1HB ARG 48 1HB ARG 48 9.659 0.167 -1.654 388 2HB ARG 48 2HB ARG 48 8.562 -0.963 -2.441 389 1HG ARG 48 1HG ARG 48 10.458 -1.614 -3.540 390 2HG ARG 48 2HG ARG 48 10.086 -0.227 -4.565 391 1HD ARG 48 1HD ARG 48 11.439 1.029 -2.600 392 2HD ARG 48 2HD ARG 48 12.208 -0.551 -2.509 393 HE ARG 48 HE ARG 48 12.515 1.389 -4.616 394 1HH1 ARG 48 1HH1 ARG 48 12.566 -2.030 -3.863 395 2HH1 ARG 48 2HH1 ARG 48 13.610 -2.421 -5.186 396 1HH2 ARG 48 1HH2 ARG 48 13.875 0.835 -6.328 397 2HH2 ARG 48 2HH2 ARG 48 14.346 -0.814 -6.570 398 H GLN 49 H GLN 49 7.018 -0.987 -3.669 399 HA GLN 49 HA GLN 49 4.467 0.299 -3.029 400 1HB GLN 49 1HB GLN 49 5.297 -2.161 -4.495 401 2HB GLN 49 2HB GLN 49 3.711 -2.158 -3.726 402 1HG GLN 49 1HG GLN 49 2.960 -0.322 -5.003 403 2HG GLN 49 2HG GLN 49 4.600 0.146 -5.455 404 2HE2 GLN 49 2HE2 GLN 49 3.116 -3.123 -5.577 405 1HE2 GLN 49 1HE2 GLN 49 3.318 -3.316 -7.251 406 H VAL 50 H VAL 50 3.052 -0.468 -1.443 407 HA VAL 50 HA VAL 50 4.022 -2.569 0.367 408 HB VAL 50 HB VAL 50 3.240 0.202 1.316 409 1HG1 VAL 50 1HG1 VAL 50 3.986 -2.350 2.764 410 2HG1 VAL 50 2HG1 VAL 50 4.049 -0.764 3.532 411 3HG1 VAL 50 3HG1 VAL 50 2.512 -1.398 2.944 412 1HG2 VAL 50 1HG2 VAL 50 5.863 -1.236 0.998 413 2HG2 VAL 50 2HG2 VAL 50 5.447 0.418 0.549 414 3HG2 VAL 50 3HG2 VAL 50 5.668 -0.005 2.246 415 H CYS 51 H CYS 51 2.425 -3.877 0.957 416 HA CYS 51 HA CYS 51 -0.289 -3.360 0.135 417 1HB CYS 51 1HB CYS 51 0.963 -5.591 1.752 418 2HB CYS 51 2HB CYS 51 -0.743 -5.541 1.313 419 H ALA 52 H ALA 52 -1.975 -2.660 1.361 420 HA ALA 52 HA ALA 52 -1.741 -2.601 4.268 421 1HB ALA 52 1HB ALA 52 -0.852 -0.500 4.152 422 2HB ALA 52 2HB ALA 52 -2.550 -0.057 3.983 423 3HB ALA 52 3HB ALA 52 -1.529 -0.186 2.553 424 H ASP 53 H ASP 53 -3.655 -2.911 5.204 425 HA ASP 53 HA ASP 53 -6.029 -3.035 3.498 426 1HB ASP 53 1HB ASP 53 -5.442 -3.976 6.307 427 2HB ASP 53 2HB ASP 53 -7.067 -3.999 5.622 428 H LYS 54 H LYS 54 -7.765 -1.716 3.682 429 HA LYS 54 HA LYS 54 -7.482 0.857 4.769 430 1HB LYS 54 1HB LYS 54 -9.151 -0.027 2.979 431 2HB LYS 54 2HB LYS 54 -10.181 -0.403 4.361 432 1HG LYS 54 1HG LYS 54 -8.936 2.312 4.251 433 2HG LYS 54 2HG LYS 54 -10.284 1.979 3.163 434 1HD LYS 54 1HD LYS 54 -11.260 0.930 5.476 435 2HD LYS 54 2HD LYS 54 -10.259 2.235 6.116 436 1HE LYS 54 1HE LYS 54 -12.316 2.597 3.920 437 2HE LYS 54 2HE LYS 54 -12.620 2.936 5.624 438 1HZ LYS 54 1HZ LYS 54 -10.278 4.134 4.315 439 2HZ LYS 54 2HZ LYS 54 -11.812 4.813 4.045 440 3HZ LYS 54 3HZ LYS 54 -11.197 4.712 5.623 441 H SER 55 H SER 55 -8.620 -2.120 6.189 442 HA SER 55 HA SER 55 -10.134 -1.152 8.330 443 1HB SER 55 1HB SER 55 -8.660 -3.637 7.738 444 2HB SER 55 2HB SER 55 -8.939 -3.317 9.446 445 HG SER 55 HG SER 55 -10.635 -4.305 7.743 446 H LYS 56 H LYS 56 -6.678 -1.217 7.830 447 HA LYS 56 HA LYS 56 -5.803 -0.891 10.487 448 1HB LYS 56 1HB LYS 56 -4.658 -0.262 7.798 449 2HB LYS 56 2HB LYS 56 -3.882 0.422 9.226 450 1HG LYS 56 1HG LYS 56 -4.593 -2.492 9.211 451 2HG LYS 56 2HG LYS 56 -3.151 -1.955 8.348 452 1HD LYS 56 1HD LYS 56 -2.377 -0.816 10.430 453 2HD LYS 56 2HD LYS 56 -3.770 -1.489 11.278 454 1HE LYS 56 1HE LYS 56 -2.170 -3.104 11.753 455 2HE LYS 56 2HE LYS 56 -2.871 -3.770 10.278 456 1HZ LYS 56 1HZ LYS 56 -0.459 -2.042 10.387 457 2HZ LYS 56 2HZ LYS 56 -0.439 -3.733 10.225 458 3HZ LYS 56 3HZ LYS 56 -1.112 -2.766 8.999 459 H ASP 57 H ASP 57 -4.468 1.311 10.915 460 HA ASP 57 HA ASP 57 -6.538 3.403 10.959 461 1HB ASP 57 1HB ASP 57 -4.098 2.858 12.631 462 2HB ASP 57 2HB ASP 57 -4.851 4.452 12.625 463 H TRP 58 H TRP 58 -2.987 3.246 10.625 464 HA TRP 58 HA TRP 58 -2.715 5.808 9.502 465 1HB TRP 58 1HB TRP 58 -0.486 5.030 8.699 466 2HB TRP 58 2HB TRP 58 -0.767 4.732 10.410 467 HD1 TRP 58 HD1 TRP 58 -1.202 2.197 11.166 468 HE1 TRP 58 HE1 TRP 58 -0.516 -0.032 10.075 469 HE3 TRP 58 HE3 TRP 58 -0.150 3.815 6.446 470 HZ2 TRP 58 HZ2 TRP 58 0.364 -1.009 7.520 471 HZ3 TRP 58 HZ3 TRP 58 0.609 2.225 4.706 472 HH2 TRP 58 HH2 TRP 58 0.865 -0.181 5.237 473 H VAL 59 H VAL 59 -3.582 2.751 8.077 474 HA VAL 59 HA VAL 59 -3.082 3.483 5.356 475 HB VAL 59 HB VAL 59 -5.053 1.448 6.425 476 1HG1 VAL 59 1HG1 VAL 59 -3.758 1.930 3.733 477 2HG1 VAL 59 2HG1 VAL 59 -4.489 0.385 4.165 478 3HG1 VAL 59 3HG1 VAL 59 -5.479 1.843 4.107 479 1HG2 VAL 59 1HG2 VAL 59 -2.109 1.230 5.729 480 2HG2 VAL 59 2HG2 VAL 59 -2.838 0.988 7.316 481 3HG2 VAL 59 3HG2 VAL 59 -3.164 -0.154 6.012 482 H LYS 60 H LYS 60 -5.749 3.836 7.596 483 HA LYS 60 HA LYS 60 -7.738 4.601 5.719 484 1HB LYS 60 1HB LYS 60 -7.886 3.928 8.278 485 2HB LYS 60 2HB LYS 60 -7.759 5.671 8.509 486 1HG LYS 60 1HG LYS 60 -9.625 5.858 6.736 487 2HG LYS 60 2HG LYS 60 -9.879 4.134 7.007 488 1HD LYS 60 1HD LYS 60 -10.325 4.503 9.359 489 2HD LYS 60 2HD LYS 60 -9.889 6.207 9.218 490 1HE LYS 60 1HE LYS 60 -12.009 5.226 7.376 491 2HE LYS 60 2HE LYS 60 -12.442 5.350 9.082 492 1HZ LYS 60 1HZ LYS 60 -11.033 7.575 7.777 493 2HZ LYS 60 2HZ LYS 60 -12.704 7.391 7.533 494 3HZ LYS 60 3HZ LYS 60 -12.089 7.604 9.102 495 H LYS 61 H LYS 61 -5.543 6.473 7.801 496 HA LYS 61 HA LYS 61 -6.441 9.036 7.080 497 1HB LYS 61 1HB LYS 61 -4.816 8.403 8.956 498 2HB LYS 61 2HB LYS 61 -3.563 8.391 7.714 499 1HG LYS 61 1HG LYS 61 -3.837 10.692 7.248 500 2HG LYS 61 2HG LYS 61 -5.408 10.754 8.048 501 1HD LYS 61 1HD LYS 61 -2.854 10.111 9.534 502 2HD LYS 61 2HD LYS 61 -3.459 11.758 9.357 503 1HE LYS 61 1HE LYS 61 -5.718 10.651 10.221 504 2HE LYS 61 2HE LYS 61 -4.601 9.478 10.919 505 1HZ LYS 61 1HZ LYS 61 -4.113 12.362 11.252 506 2HZ LYS 61 2HZ LYS 61 -5.229 11.573 12.256 507 3HZ LYS 61 3HZ LYS 61 -3.608 11.068 12.231 508 H LEU 62 H LEU 62 -3.952 6.963 5.635 509 HA LEU 62 HA LEU 62 -2.997 8.810 3.725 510 1HB LEU 62 1HB LEU 62 -3.170 5.808 3.552 511 2HB LEU 62 2HB LEU 62 -2.251 6.826 2.466 512 HG LEU 62 HG LEU 62 -1.673 6.983 5.394 513 1HD1 LEU 62 1HD1 LEU 62 -1.183 4.658 3.577 514 2HD1 LEU 62 2HD1 LEU 62 0.089 5.109 4.713 515 3HD1 LEU 62 3HD1 LEU 62 -1.513 4.678 5.308 516 1HD2 LEU 62 1HD2 LEU 62 -0.362 7.558 2.784 517 2HD2 LEU 62 2HD2 LEU 62 -0.265 8.439 4.308 518 3HD2 LEU 62 3HD2 LEU 62 0.689 6.974 4.075 519 H MET 63 H MET 63 -5.568 6.392 3.599 520 HA MET 63 HA MET 63 -6.308 6.580 0.923 521 1HB MET 63 1HB MET 63 -7.886 6.015 3.420 522 2HB MET 63 2HB MET 63 -8.675 6.077 1.844 523 1HG MET 63 1HG MET 63 -6.549 4.505 1.237 524 2HG MET 63 2HG MET 63 -6.771 4.073 2.930 525 1HE MET 63 1HE MET 63 -7.175 3.367 -0.278 526 2HE MET 63 2HE MET 63 -7.445 1.758 0.385 527 3HE MET 63 3HE MET 63 -8.687 2.512 -0.612 528 H GLN 64 H GLN 64 -7.107 8.688 3.623 529 HA GLN 64 HA GLN 64 -8.887 10.328 2.002 530 1HB GLN 64 1HB GLN 64 -8.999 9.825 4.596 531 2HB GLN 64 2HB GLN 64 -7.893 11.197 4.684 532 1HG GLN 64 1HG GLN 64 -9.496 12.564 3.385 533 2HG GLN 64 2HG GLN 64 -10.609 11.196 3.332 534 2HE2 GLN 64 2HE2 GLN 64 -8.627 12.669 5.972 535 1HE2 GLN 64 1HE2 GLN 64 -9.925 12.818 7.054 536 H GLN 65 H GLN 65 -5.586 10.343 3.165 537 HA GLN 65 HA GLN 65 -5.053 13.094 2.567 538 1HB GLN 65 1HB GLN 65 -3.404 10.706 3.290 539 2HB GLN 65 2HB GLN 65 -2.603 12.123 2.614 540 1HG GLN 65 1HG GLN 65 -4.221 13.319 4.438 541 2HG GLN 65 2HG GLN 65 -3.936 11.776 5.242 542 2HE2 GLN 65 2HE2 GLN 65 -2.017 11.635 6.413 543 1HE2 GLN 65 1HE2 GLN 65 -0.680 12.660 6.210 544 H LEU 66 H LEU 66 -4.791 10.055 0.817 545 HA LEU 66 HA LEU 66 -3.827 11.549 -1.551 546 1HB LEU 66 1HB LEU 66 -3.640 8.576 -1.260 547 2HB LEU 66 2HB LEU 66 -2.720 9.638 -2.302 548 HG LEU 66 HG LEU 66 -2.422 9.348 0.697 549 1HD1 LEU 66 1HD1 LEU 66 -0.645 8.629 -1.654 550 2HD1 LEU 66 2HD1 LEU 66 -0.148 8.545 0.037 551 3HD1 LEU 66 3HD1 LEU 66 -1.440 7.500 -0.557 552 1HD2 LEU 66 1HD2 LEU 66 -1.460 11.379 -1.262 553 2HD2 LEU 66 2HD2 LEU 66 -1.802 11.553 0.459 554 3HD2 LEU 66 3HD2 LEU 66 -0.292 10.810 -0.069 555 HA PRO 67 HA PRO 67 -7.682 10.434 -3.391 556 1HB PRO 67 1HB PRO 67 -7.035 10.673 -6.044 557 2HB PRO 67 2HB PRO 67 -7.304 12.050 -4.964 558 1HG PRO 67 1HG PRO 67 -4.760 10.974 -6.042 559 2HG PRO 67 2HG PRO 67 -5.168 12.623 -5.547 560 1HD PRO 67 1HD PRO 67 -3.666 10.764 -4.041 561 2HD PRO 67 2HD PRO 67 -4.368 12.282 -3.432 562 H VAL 68 H VAL 68 -5.574 9.157 -5.950 563 HA VAL 68 HA VAL 68 -5.439 6.495 -5.187 564 HB VAL 68 HB VAL 68 -8.096 7.074 -5.646 565 1HG1 VAL 68 1HG1 VAL 68 -7.566 7.305 -8.130 566 2HG1 VAL 68 2HG1 VAL 68 -7.220 5.577 -8.119 567 3HG1 VAL 68 3HG1 VAL 68 -8.836 6.155 -7.714 568 1HG2 VAL 68 1HG2 VAL 68 -6.752 5.025 -4.682 569 2HG2 VAL 68 2HG2 VAL 68 -8.415 4.821 -5.232 570 3HG2 VAL 68 3HG2 VAL 68 -7.075 4.333 -6.271 571 H THR 69 H THR 69 -4.980 5.026 -7.101 572 HA THR 69 HA THR 69 -3.103 6.365 -8.813 573 HB THR 69 HB THR 69 -3.188 3.925 -9.896 574 HG1 THR 69 HG1 THR 69 -5.021 3.352 -8.637 575 1HG2 THR 69 1HG2 THR 69 -1.361 5.086 -8.541 576 2HG2 THR 69 2HG2 THR 69 -2.067 4.321 -7.117 577 3HG2 THR 69 3HG2 THR 69 -1.412 3.327 -8.419 578 H ALA 70 H ALA 70 -3.113 6.290 -11.139 579 HA ALA 70 HA ALA 70 -4.061 6.692 -13.195 580 1HB ALA 70 1HB ALA 70 -5.944 5.334 -13.870 581 2HB ALA 70 2HB ALA 70 -4.865 4.339 -12.891 582 3HB ALA 70 3HB ALA 70 -6.348 4.985 -12.189 583 H ARG 71 H ARG 71 -4.407 8.881 -12.973 584 HA ARG 71 HA ARG 71 -7.158 9.670 -12.208 585 1HB ARG 71 1HB ARG 71 -6.175 11.888 -11.589 586 2HB ARG 71 2HB ARG 71 -5.622 10.561 -10.566 587 1HG ARG 71 1HG ARG 71 -3.492 10.548 -11.494 588 2HG ARG 71 2HG ARG 71 -4.040 11.253 -13.016 589 1HD ARG 71 1HD ARG 71 -4.628 13.326 -11.503 590 2HD ARG 71 2HD ARG 71 -3.455 12.609 -10.404 591 HE ARG 71 HE ARG 71 -2.883 13.940 -12.892 592 1HH1 ARG 71 1HH1 ARG 71 -1.781 11.476 -10.664 593 2HH1 ARG 71 2HH1 ARG 71 -0.129 11.610 -11.157 594 1HH2 ARG 71 1HH2 ARG 71 -0.718 14.082 -13.505 595 2HH2 ARG 71 2HH2 ARG 71 0.470 13.072 -12.751 No H/Q in entry = 595 Start of MODEL 8 1 H1 LEU 1 H1 LEU 1 3.038 -16.455 7.492 2 H2 LEU 1 H2 LEU 1 4.243 -17.223 8.405 3 H3 LEU 1 H3 LEU 1 3.396 -15.904 9.059 4 HA LEU 1 HA LEU 1 4.484 -14.360 7.766 5 1HB LEU 1 1HB LEU 1 6.181 -16.584 8.767 6 2HB LEU 1 2HB LEU 1 6.964 -15.470 7.650 7 HG LEU 1 HG LEU 1 7.256 -14.741 9.992 8 1HD1 LEU 1 1HD1 LEU 1 6.852 -13.135 7.976 9 2HD1 LEU 1 2HD1 LEU 1 5.299 -12.820 8.753 10 3HD1 LEU 1 3HD1 LEU 1 6.801 -12.474 9.610 11 1HD2 LEU 1 1HD2 LEU 1 4.805 -15.725 10.481 12 2HD2 LEU 1 2HD2 LEU 1 5.522 -14.464 11.483 13 3HD2 LEU 1 3HD2 LEU 1 4.366 -14.037 10.222 14 H GLY 2 H GLY 2 6.513 -14.356 6.053 15 1HA GLY 2 1HA GLY 2 5.366 -15.592 3.636 16 2HA GLY 2 2HA GLY 2 7.075 -15.834 3.990 17 H ALA 3 H ALA 3 8.522 -14.193 3.620 18 HA ALA 3 HA ALA 3 7.762 -11.479 3.145 19 1HB ALA 3 1HB ALA 3 10.001 -11.974 3.938 20 2HB ALA 3 2HB ALA 3 10.323 -12.965 2.516 21 3HB ALA 3 3HB ALA 3 10.113 -11.223 2.347 22 H SER 4 H SER 4 6.987 -10.585 1.362 23 HA SER 4 HA SER 4 6.259 -10.312 -0.799 24 1HB SER 4 1HB SER 4 7.871 -10.557 -2.500 25 2HB SER 4 2HB SER 4 8.819 -10.257 -1.048 26 HG SER 4 HG SER 4 8.848 -12.378 -2.678 27 H TRP 5 H TRP 5 6.073 -11.674 -3.015 28 HA TRP 5 HA TRP 5 5.660 -14.478 -2.781 29 1HB TRP 5 1HB TRP 5 3.452 -12.727 -1.964 30 2HB TRP 5 2HB TRP 5 2.996 -13.847 -3.247 31 HD1 TRP 5 HD1 TRP 5 3.398 -13.660 0.399 32 HE1 TRP 5 HE1 TRP 5 3.345 -16.014 1.449 33 HE3 TRP 5 HE3 TRP 5 3.915 -16.513 -3.805 34 HZ2 TRP 5 HZ2 TRP 5 3.502 -18.746 0.617 35 HZ3 TRP 5 HZ3 TRP 5 3.959 -18.986 -3.648 36 HH2 TRP 5 HH2 TRP 5 3.753 -20.105 -1.445 37 H HIS 6 H HIS 6 5.285 -15.412 -4.753 38 HA HIS 6 HA HIS 6 4.983 -13.550 -7.035 39 1HB HIS 6 1HB HIS 6 6.298 -15.231 -8.349 40 2HB HIS 6 2HB HIS 6 7.221 -14.462 -7.059 41 HD1 HIS 6 HD1 HIS 6 7.416 -15.902 -4.775 42 HD2 HIS 6 HD2 HIS 6 6.156 -18.003 -8.147 43 HE1 HIS 6 HE1 HIS 6 7.709 -18.359 -4.238 44 H ARG 7 H ARG 7 2.694 -13.846 -6.926 45 HA ARG 7 HA ARG 7 1.824 -16.448 -8.039 46 1HB ARG 7 1HB ARG 7 0.492 -14.732 -5.943 47 2HB ARG 7 2HB ARG 7 -0.399 -15.933 -6.879 48 1HG ARG 7 1HG ARG 7 2.148 -16.658 -5.434 49 2HG ARG 7 2HG ARG 7 0.589 -16.686 -4.610 50 1HD ARG 7 1HD ARG 7 0.761 -18.039 -7.260 51 2HD ARG 7 2HD ARG 7 1.549 -18.828 -5.899 52 HE ARG 7 HE ARG 7 -1.295 -18.559 -6.327 53 1HH1 ARG 7 1HH1 ARG 7 1.222 -18.958 -3.927 54 2HH1 ARG 7 2HH1 ARG 7 0.161 -19.686 -2.771 55 1HH2 ARG 7 1HH2 ARG 7 -2.644 -19.511 -4.791 56 2HH2 ARG 7 2HH2 ARG 7 -2.010 -19.998 -3.254 57 HA PRO 8 HA PRO 8 -0.065 -13.997 -11.193 58 1HB PRO 8 1HB PRO 8 -2.121 -15.620 -11.970 59 2HB PRO 8 2HB PRO 8 -0.419 -15.947 -12.332 60 1HG PRO 8 1HG PRO 8 -2.212 -17.273 -10.391 61 2HG PRO 8 2HG PRO 8 -0.765 -17.896 -11.196 62 1HD PRO 8 1HD PRO 8 -0.943 -16.936 -8.521 63 2HD PRO 8 2HD PRO 8 0.542 -17.361 -9.404 64 H ASP 9 H ASP 9 -0.786 -12.392 -9.504 65 HA ASP 9 HA ASP 9 -3.480 -11.652 -9.888 66 1HB ASP 9 1HB ASP 9 -4.293 -11.938 -7.539 67 2HB ASP 9 2HB ASP 9 -4.065 -13.464 -8.393 68 H LYS 10 H LYS 10 -0.710 -11.535 -7.702 69 HA LYS 10 HA LYS 10 0.400 -9.777 -6.719 70 1HB LYS 10 1HB LYS 10 0.063 -8.986 -9.249 71 2HB LYS 10 2HB LYS 10 -0.944 -7.769 -8.461 72 1HG LYS 10 1HG LYS 10 1.185 -7.668 -6.822 73 2HG LYS 10 2HG LYS 10 2.000 -8.190 -8.297 74 1HD LYS 10 1HD LYS 10 0.124 -5.814 -8.151 75 2HD LYS 10 2HD LYS 10 1.880 -5.692 -8.050 76 1HE LYS 10 1HE LYS 10 0.784 -7.248 -10.337 77 2HE LYS 10 2HE LYS 10 0.554 -5.500 -10.387 78 1HZ LYS 10 1HZ LYS 10 3.157 -6.855 -9.931 79 2HZ LYS 10 2HZ LYS 10 2.645 -6.219 -11.421 80 3HZ LYS 10 3HZ LYS 10 2.904 -5.183 -10.103 81 H CYS 11 H CYS 11 -2.215 -10.591 -5.745 82 HA CYS 11 HA CYS 11 -3.609 -8.179 -4.955 83 1HB CYS 11 1HB CYS 11 -3.952 -11.090 -4.234 84 2HB CYS 11 2HB CYS 11 -4.934 -9.805 -3.529 85 H CYS 12 H CYS 12 -1.073 -10.185 -3.679 86 HA CYS 12 HA CYS 12 0.244 -9.970 -1.806 87 1HB CYS 12 1HB CYS 12 -0.160 -7.433 -2.459 88 2HB CYS 12 2HB CYS 12 -1.124 -7.441 -0.983 89 H LEU 13 H LEU 13 -0.203 -11.403 -0.281 90 HA LEU 13 HA LEU 13 -2.798 -11.506 1.002 91 1HB LEU 13 1HB LEU 13 -1.073 -13.435 0.379 92 2HB LEU 13 2HB LEU 13 -0.493 -13.099 1.996 93 HG LEU 13 HG LEU 13 -3.083 -13.360 2.578 94 1HD1 LEU 13 1HD1 LEU 13 -3.549 -13.703 0.083 95 2HD1 LEU 13 2HD1 LEU 13 -2.752 -15.266 0.254 96 3HD1 LEU 13 3HD1 LEU 13 -4.217 -14.919 1.173 97 1HD2 LEU 13 1HD2 LEU 13 -0.932 -15.427 2.178 98 2HD2 LEU 13 2HD2 LEU 13 -1.565 -14.766 3.685 99 3HD2 LEU 13 3HD2 LEU 13 -2.525 -15.915 2.754 100 H GLY 14 H GLY 14 0.510 -11.404 2.307 101 1HA GLY 14 1HA GLY 14 1.376 -10.421 4.205 102 2HA GLY 14 2HA GLY 14 -0.238 -10.564 4.896 103 H TYR 15 H TYR 15 1.299 -8.386 5.525 104 HA TYR 15 HA TYR 15 0.618 -6.171 3.770 105 1HB TYR 15 1HB TYR 15 -0.678 -6.498 6.483 106 2HB TYR 15 2HB TYR 15 -0.611 -4.967 5.612 107 HD1 TYR 15 HD1 TYR 15 -1.706 -4.748 3.378 108 HD2 TYR 15 HD2 TYR 15 -2.182 -8.249 5.816 109 HE1 TYR 15 HE1 TYR 15 -3.668 -5.423 2.021 110 HE2 TYR 15 HE2 TYR 15 -4.144 -8.928 4.458 111 HH TYR 15 HH TYR 15 -5.844 -6.995 2.594 112 H GLN 16 H GLN 16 1.182 -4.034 4.996 113 HA GLN 16 HA GLN 16 3.932 -4.093 5.566 114 1HB GLN 16 1HB GLN 16 2.731 -2.067 4.783 115 2HB GLN 16 2HB GLN 16 1.933 -1.954 6.342 116 1HG GLN 16 1HG GLN 16 3.928 -0.446 6.130 117 2HG GLN 16 2HG GLN 16 4.053 -1.585 7.464 118 2HE2 GLN 16 2HE2 GLN 16 5.576 -0.504 4.558 119 1HE2 GLN 16 1HE2 GLN 16 6.795 -1.682 4.510 120 H LYS 17 H LYS 17 1.218 -3.480 7.765 121 HA LYS 17 HA LYS 17 0.891 -4.191 9.958 122 1HB LYS 17 1HB LYS 17 2.830 -5.936 9.441 123 2HB LYS 17 2HB LYS 17 3.766 -4.829 10.446 124 1HG LYS 17 1HG LYS 17 1.062 -5.607 11.433 125 2HG LYS 17 2HG LYS 17 2.329 -6.831 11.506 126 1HD LYS 17 1HD LYS 17 3.577 -5.651 13.044 127 2HD LYS 17 2HD LYS 17 3.010 -4.087 12.461 128 1HE LYS 17 1HE LYS 17 0.923 -4.307 13.586 129 2HE LYS 17 2HE LYS 17 1.179 -6.026 13.882 130 1HZ LYS 17 1HZ LYS 17 3.185 -5.302 15.212 131 2HZ LYS 17 2HZ LYS 17 2.552 -3.727 15.141 132 3HZ LYS 17 3HZ LYS 17 1.669 -4.967 15.894 133 H ARG 18 H ARG 18 3.917 -2.508 9.178 134 HA ARG 18 HA ARG 18 3.587 -0.814 11.551 135 1HB ARG 18 1HB ARG 18 5.824 0.094 10.889 136 2HB ARG 18 2HB ARG 18 5.842 -1.643 11.199 137 1HG ARG 18 1HG ARG 18 5.871 -2.162 8.875 138 2HG ARG 18 2HG ARG 18 5.440 -0.512 8.425 139 1HD ARG 18 1HD ARG 18 7.854 -0.979 8.066 140 2HD ARG 18 2HD ARG 18 7.589 0.310 9.235 141 HE ARG 18 HE ARG 18 7.767 -2.045 10.704 142 1HH1 ARG 18 1HH1 ARG 18 9.807 -0.215 8.525 143 2HH1 ARG 18 2HH1 ARG 18 11.274 -0.738 9.278 144 1HH2 ARG 18 1HH2 ARG 18 9.704 -2.702 11.655 145 2HH2 ARG 18 2HH2 ARG 18 11.218 -2.134 11.035 146 HA PRO 19 HA PRO 19 1.936 2.393 8.985 147 1HB PRO 19 1HB PRO 19 2.245 4.519 10.672 148 2HB PRO 19 2HB PRO 19 1.017 3.263 10.882 149 1HG PRO 19 1HG PRO 19 3.491 3.732 12.420 150 2HG PRO 19 2HG PRO 19 2.011 2.888 12.895 151 1HD PRO 19 1HD PRO 19 4.476 1.703 12.068 152 2HD PRO 19 2HD PRO 19 2.938 0.869 12.395 153 H LEU 20 H LEU 20 2.598 3.769 7.419 154 HA LEU 20 HA LEU 20 5.409 4.690 7.506 155 1HB LEU 20 1HB LEU 20 3.903 4.755 4.954 156 2HB LEU 20 2HB LEU 20 5.589 4.398 5.252 157 HG LEU 20 HG LEU 20 3.237 2.526 5.592 158 1HD1 LEU 20 1HD1 LEU 20 5.345 2.990 3.553 159 2HD1 LEU 20 2HD1 LEU 20 5.024 1.304 3.957 160 3HD1 LEU 20 3HD1 LEU 20 3.720 2.331 3.364 161 1HD2 LEU 20 1HD2 LEU 20 6.047 2.433 6.593 162 2HD2 LEU 20 2HD2 LEU 20 4.585 1.737 7.289 163 3HD2 LEU 20 3HD2 LEU 20 5.378 0.943 5.930 164 HA PRO 21 HA PRO 21 3.811 8.827 7.446 165 1HB PRO 21 1HB PRO 21 6.053 10.161 6.626 166 2HB PRO 21 2HB PRO 21 5.858 9.471 8.247 167 1HG PRO 21 1HG PRO 21 7.539 8.536 6.005 168 2HG PRO 21 2HG PRO 21 7.716 8.249 7.742 169 1HD PRO 21 1HD PRO 21 6.655 6.439 5.802 170 2HD PRO 21 2HD PRO 21 6.687 6.223 7.567 171 H GLN 22 H GLN 22 2.664 10.060 6.037 172 HA GLN 22 HA GLN 22 2.696 9.478 3.229 173 1HB GLN 22 1HB GLN 22 0.699 10.244 4.663 174 2HB GLN 22 2HB GLN 22 1.359 11.869 4.479 175 1HG GLN 22 1HG GLN 22 1.463 11.068 1.905 176 2HG GLN 22 2HG GLN 22 0.095 10.098 2.450 177 2HE2 GLN 22 2HE2 GLN 22 0.117 12.527 0.646 178 1HE2 GLN 22 1HE2 GLN 22 -0.934 13.633 1.388 179 H VAL 23 H VAL 23 4.655 11.455 5.146 180 HA VAL 23 HA VAL 23 5.030 13.785 3.709 181 HB VAL 23 HB VAL 23 6.048 13.320 5.902 182 1HG1 VAL 23 1HG1 VAL 23 6.769 10.922 4.914 183 2HG1 VAL 23 2HG1 VAL 23 8.281 11.794 4.663 184 3HG1 VAL 23 3HG1 VAL 23 7.593 11.670 6.283 185 1HG2 VAL 23 1HG2 VAL 23 6.997 15.084 4.416 186 2HG2 VAL 23 2HG2 VAL 23 8.211 14.368 5.476 187 3HG2 VAL 23 3HG2 VAL 23 8.135 13.897 3.778 188 H LEU 24 H LEU 24 5.936 10.542 2.826 189 HA LEU 24 HA LEU 24 7.285 11.650 0.442 190 1HB LEU 24 1HB LEU 24 9.004 10.098 0.504 191 2HB LEU 24 2HB LEU 24 8.848 10.628 2.160 192 HG LEU 24 HG LEU 24 9.200 8.328 2.341 193 1HD1 LEU 24 1HD1 LEU 24 7.125 9.117 3.549 194 2HD1 LEU 24 2HD1 LEU 24 6.180 8.454 2.216 195 3HD1 LEU 24 3HD1 LEU 24 7.170 7.387 3.210 196 1HD2 LEU 24 1HD2 LEU 24 8.615 8.139 -0.252 197 2HD2 LEU 24 2HD2 LEU 24 8.593 6.723 0.800 198 3HD2 LEU 24 3HD2 LEU 24 7.085 7.537 0.387 199 H LEU 25 H LEU 25 4.625 9.966 1.436 200 HA LEU 25 HA LEU 25 4.607 7.898 -0.571 201 1HB LEU 25 1HB LEU 25 3.263 8.208 1.728 202 2HB LEU 25 2HB LEU 25 2.082 8.888 0.633 203 HG LEU 25 HG LEU 25 1.900 6.802 -0.566 204 1HD1 LEU 25 1HD1 LEU 25 4.406 6.191 0.926 205 2HD1 LEU 25 2HD1 LEU 25 3.288 4.851 0.670 206 3HD1 LEU 25 3HD1 LEU 25 3.933 5.737 -0.711 207 1HD2 LEU 25 1HD2 LEU 25 1.726 6.820 2.413 208 2HD2 LEU 25 2HD2 LEU 25 0.447 6.617 1.216 209 3HD2 LEU 25 3HD2 LEU 25 1.519 5.270 1.598 210 H SER 26 H SER 26 2.630 7.840 -2.099 211 HA SER 26 HA SER 26 2.193 10.522 -3.264 212 1HB SER 26 1HB SER 26 3.861 8.740 -4.429 213 2HB SER 26 2HB SER 26 2.334 8.249 -5.156 214 HG SER 26 HG SER 26 2.332 10.026 -6.274 215 H SER 27 H SER 27 1.148 7.180 -3.975 216 HA SER 27 HA SER 27 -1.621 7.893 -3.353 217 1HB SER 27 1HB SER 27 -0.681 8.059 -5.996 218 2HB SER 27 2HB SER 27 -1.566 6.541 -5.920 219 HG SER 27 HG SER 27 -2.444 9.161 -5.310 220 H TRP 28 H TRP 28 -2.858 5.706 -4.505 221 HA TRP 28 HA TRP 28 -1.451 3.282 -3.718 222 1HB TRP 28 1HB TRP 28 -3.328 2.610 -2.168 223 2HB TRP 28 2HB TRP 28 -2.294 3.897 -1.555 224 HD1 TRP 28 HD1 TRP 28 -3.272 6.390 -1.577 225 HE1 TRP 28 HE1 TRP 28 -5.695 7.273 -1.593 226 HE3 TRP 28 HE3 TRP 28 -5.742 2.142 -2.980 227 HZ2 TRP 28 HZ2 TRP 28 -8.333 6.294 -2.150 228 HZ3 TRP 28 HZ3 TRP 28 -8.202 2.146 -3.245 229 HH2 TRP 28 HH2 TRP 28 -9.502 4.214 -2.827 230 H TYR 29 H TYR 29 -2.197 1.521 -4.809 231 HA TYR 29 HA TYR 29 -4.588 1.965 -6.484 232 1HB TYR 29 1HB TYR 29 -3.663 0.635 -8.194 233 2HB TYR 29 2HB TYR 29 -2.323 1.622 -7.632 234 HD1 TYR 29 HD1 TYR 29 -3.825 -1.759 -7.561 235 HD2 TYR 29 HD2 TYR 29 -0.392 0.620 -6.548 236 HE1 TYR 29 HE1 TYR 29 -2.515 -3.823 -7.143 237 HE2 TYR 29 HE2 TYR 29 0.913 -1.443 -6.132 238 HH TYR 29 HH TYR 29 0.884 -3.795 -6.762 239 HA PRO 30 HA PRO 30 -6.381 -1.357 -4.147 240 1HB PRO 30 1HB PRO 30 -8.651 -1.708 -5.624 241 2HB PRO 30 2HB PRO 30 -8.398 -0.352 -4.516 242 1HG PRO 30 1HG PRO 30 -8.376 -0.388 -7.472 243 2HG PRO 30 2HG PRO 30 -8.714 0.948 -6.364 244 1HD PRO 30 1HD PRO 30 -6.284 0.479 -7.774 245 2HD PRO 30 2HD PRO 30 -6.562 1.691 -6.502 246 H THR 31 H THR 31 -7.047 -3.588 -4.294 247 HA THR 31 HA THR 31 -5.654 -5.034 -6.427 248 HB THR 31 HB THR 31 -6.447 -7.017 -4.874 249 HG1 THR 31 HG1 THR 31 -7.787 -5.609 -3.629 250 1HG2 THR 31 1HG2 THR 31 -4.111 -6.262 -5.218 251 2HG2 THR 31 2HG2 THR 31 -4.350 -5.010 -3.999 252 3HG2 THR 31 3HG2 THR 31 -4.412 -6.713 -3.541 253 H SER 32 H SER 32 -6.936 -7.321 -6.767 254 HA SER 32 HA SER 32 -9.109 -6.660 -8.439 255 1HB SER 32 1HB SER 32 -7.819 -8.635 -8.920 256 2HB SER 32 2HB SER 32 -8.200 -9.331 -7.348 257 HG SER 32 HG SER 32 -9.500 -10.050 -9.208 258 H GLN 33 H GLN 33 -9.894 -9.296 -6.244 259 HA GLN 33 HA GLN 33 -11.432 -7.952 -4.340 260 1HB GLN 33 1HB GLN 33 -12.624 -7.500 -6.731 261 2HB GLN 33 2HB GLN 33 -13.396 -9.019 -6.289 262 1HG GLN 33 1HG GLN 33 -14.208 -8.111 -4.225 263 2HG GLN 33 2HG GLN 33 -13.210 -6.666 -4.395 264 2HE2 GLN 33 2HE2 GLN 33 -14.811 -5.050 -4.626 265 1HE2 GLN 33 1HE2 GLN 33 -15.986 -5.059 -5.851 266 H LEU 34 H LEU 34 -11.352 -10.730 -6.517 267 HA LEU 34 HA LEU 34 -12.399 -12.462 -4.390 268 1HB LEU 34 1HB LEU 34 -12.461 -14.203 -6.153 269 2HB LEU 34 2HB LEU 34 -13.459 -12.809 -6.492 270 HG LEU 34 HG LEU 34 -11.296 -12.062 -7.874 271 1HD1 LEU 34 1HD1 LEU 34 -11.021 -14.999 -7.407 272 2HD1 LEU 34 2HD1 LEU 34 -10.617 -14.367 -9.002 273 3HD1 LEU 34 3HD1 LEU 34 -9.769 -13.769 -7.576 274 1HD2 LEU 34 1HD2 LEU 34 -13.654 -12.505 -8.675 275 2HD2 LEU 34 2HD2 LEU 34 -12.396 -12.923 -9.838 276 3HD2 LEU 34 3HD2 LEU 34 -13.187 -14.191 -8.902 277 H CYS 35 H CYS 35 -9.813 -11.391 -3.998 278 HA CYS 35 HA CYS 35 -8.001 -13.645 -4.538 279 1HB CYS 35 1HB CYS 35 -7.634 -10.764 -3.885 280 2HB CYS 35 2HB CYS 35 -6.402 -11.885 -3.306 281 H SER 36 H SER 36 -10.163 -13.886 -2.611 282 HA SER 36 HA SER 36 -10.475 -14.875 -0.561 283 1HB SER 36 1HB SER 36 -8.224 -15.987 -1.169 284 2HB SER 36 2HB SER 36 -7.508 -14.814 -0.068 285 HG SER 36 HG SER 36 -8.536 -17.070 0.601 286 H LYS 37 H LYS 37 -7.606 -12.813 -0.090 287 HA LYS 37 HA LYS 37 -9.193 -11.047 1.633 288 1HB LYS 37 1HB LYS 37 -7.399 -11.131 3.392 289 2HB LYS 37 2HB LYS 37 -8.331 -12.621 3.242 290 1HG LYS 37 1HG LYS 37 -6.493 -13.411 1.627 291 2HG LYS 37 2HG LYS 37 -5.538 -12.060 2.237 292 1HD LYS 37 1HD LYS 37 -6.844 -13.816 4.261 293 2HD LYS 37 2HD LYS 37 -5.465 -14.484 3.387 294 1HE LYS 37 1HE LYS 37 -3.978 -13.014 4.331 295 2HE LYS 37 2HE LYS 37 -5.162 -11.708 4.412 296 1HZ LYS 37 1HZ LYS 37 -6.265 -12.956 6.222 297 2HZ LYS 37 2HZ LYS 37 -4.980 -14.069 6.202 298 3HZ LYS 37 3HZ LYS 37 -4.696 -12.445 6.615 299 HA PRO 38 HA PRO 38 -5.938 -8.879 -0.891 300 1HB PRO 38 1HB PRO 38 -7.597 -7.544 -2.598 301 2HB PRO 38 2HB PRO 38 -6.961 -9.163 -2.916 302 1HG PRO 38 1HG PRO 38 -9.695 -8.336 -2.173 303 2HG PRO 38 2HG PRO 38 -9.148 -9.795 -3.010 304 1HD PRO 38 1HD PRO 38 -9.888 -9.564 -0.257 305 2HD PRO 38 2HD PRO 38 -9.194 -10.989 -1.068 306 H GLY 39 H GLY 39 -5.354 -6.671 -0.789 307 1HA GLY 39 1HA GLY 39 -5.496 -5.050 1.172 308 2HA GLY 39 2HA GLY 39 -7.189 -4.893 0.707 309 H VAL 40 H VAL 40 -4.279 -3.420 0.483 310 HA VAL 40 HA VAL 40 -4.484 -2.514 -2.280 311 HB VAL 40 HB VAL 40 -4.709 -0.489 -0.044 312 1HG1 VAL 40 1HG1 VAL 40 -3.715 -0.127 -2.515 313 2HG1 VAL 40 2HG1 VAL 40 -5.430 0.062 -2.874 314 3HG1 VAL 40 3HG1 VAL 40 -4.657 1.107 -1.681 315 1HG2 VAL 40 1HG2 VAL 40 -6.822 -1.646 -1.882 316 2HG2 VAL 40 2HG2 VAL 40 -6.793 -1.726 -0.121 317 3HG2 VAL 40 3HG2 VAL 40 -7.043 -0.179 -0.929 318 H ILE 41 H ILE 41 -2.582 -1.802 -3.073 319 HA ILE 41 HA ILE 41 -0.295 -1.816 -1.212 320 HB ILE 41 HB ILE 41 -0.530 -2.405 -4.164 321 1HG1 ILE 41 1HG1 ILE 41 0.810 -4.450 -3.228 322 2HG1 ILE 41 2HG1 ILE 41 0.191 -3.906 -1.670 323 1HG2 ILE 41 1HG2 ILE 41 1.902 -1.648 -2.567 324 2HG2 ILE 41 2HG2 ILE 41 2.050 -2.858 -3.843 325 3HG2 ILE 41 3HG2 ILE 41 1.489 -1.230 -4.232 326 1HD1 ILE 41 1HD1 ILE 41 -1.630 -4.298 -4.046 327 2HD1 ILE 41 2HD1 ILE 41 -1.240 -5.622 -2.947 328 3HD1 ILE 41 3HD1 ILE 41 -2.068 -4.186 -2.341 329 H PHE 42 H PHE 42 0.613 0.057 -0.732 330 HA PHE 42 HA PHE 42 -0.154 2.487 -2.115 331 1HB PHE 42 1HB PHE 42 1.553 1.871 0.288 332 2HB PHE 42 2HB PHE 42 1.550 3.480 -0.435 333 HD1 PHE 42 HD1 PHE 42 -0.633 0.866 1.070 334 HD2 PHE 42 HD2 PHE 42 -0.258 4.982 -0.096 335 HE1 PHE 42 HE1 PHE 42 -2.756 1.390 2.239 336 HE2 PHE 42 HE2 PHE 42 -2.382 5.506 1.071 337 HZ PHE 42 HZ PHE 42 -3.630 3.711 2.240 338 H LEU 43 H LEU 43 1.338 3.949 -3.081 339 HA LEU 43 HA LEU 43 3.900 2.743 -3.928 340 1HB LEU 43 1HB LEU 43 2.285 4.472 -5.766 341 2HB LEU 43 2HB LEU 43 3.603 3.388 -6.155 342 HG LEU 43 HG LEU 43 1.994 1.494 -5.456 343 1HD1 LEU 43 1HD1 LEU 43 0.286 3.899 -5.249 344 2HD1 LEU 43 2HD1 LEU 43 -0.423 2.575 -6.173 345 3HD1 LEU 43 3HD1 LEU 43 0.092 2.311 -4.508 346 1HD2 LEU 43 1HD2 LEU 43 2.685 2.406 -7.827 347 2HD2 LEU 43 2HD2 LEU 43 1.341 1.273 -7.688 348 3HD2 LEU 43 3HD2 LEU 43 1.025 2.998 -7.870 349 H THR 44 H THR 44 5.311 3.982 -2.799 350 HA THR 44 HA THR 44 4.910 6.711 -2.150 351 HB THR 44 HB THR 44 7.274 6.720 -1.531 352 HG1 THR 44 HG1 THR 44 7.305 4.217 -2.863 353 1HG2 THR 44 1HG2 THR 44 5.476 4.472 -0.796 354 2HG2 THR 44 2HG2 THR 44 7.164 4.321 -0.306 355 3HG2 THR 44 3HG2 THR 44 6.212 5.706 0.227 356 H LYS 45 H LYS 45 6.489 8.449 -2.882 357 HA LYS 45 HA LYS 45 6.119 8.971 -5.623 358 1HB LYS 45 1HB LYS 45 8.171 10.168 -3.743 359 2HB LYS 45 2HB LYS 45 7.681 10.842 -5.299 360 1HG LYS 45 1HG LYS 45 5.646 11.556 -4.507 361 2HG LYS 45 2HG LYS 45 5.505 10.219 -3.365 362 1HD LYS 45 1HD LYS 45 5.848 12.217 -2.067 363 2HD LYS 45 2HD LYS 45 7.357 11.304 -2.019 364 1HE LYS 45 1HE LYS 45 8.456 12.781 -3.445 365 2HE LYS 45 2HE LYS 45 6.955 13.345 -4.181 366 1HZ LYS 45 1HZ LYS 45 6.433 14.288 -1.903 367 2HZ LYS 45 2HZ LYS 45 8.070 14.030 -1.529 368 3HZ LYS 45 3HZ LYS 45 7.640 15.076 -2.796 369 H ARG 46 H ARG 46 9.146 8.210 -3.899 370 HA ARG 46 HA ARG 46 10.147 6.946 -6.380 371 1HB ARG 46 1HB ARG 46 11.145 9.223 -5.960 372 2HB ARG 46 2HB ARG 46 11.838 8.562 -4.478 373 1HG ARG 46 1HG ARG 46 13.255 7.101 -5.634 374 2HG ARG 46 2HG ARG 46 12.265 7.142 -7.093 375 1HD ARG 46 1HD ARG 46 13.088 9.223 -7.754 376 2HD ARG 46 2HD ARG 46 13.564 9.666 -6.118 377 HE ARG 46 HE ARG 46 15.165 8.256 -8.038 378 1HH1 ARG 46 1HH1 ARG 46 14.513 8.588 -4.615 379 2HH1 ARG 46 2HH1 ARG 46 16.091 8.058 -4.148 380 1HH2 ARG 46 1HH2 ARG 46 17.211 7.570 -7.385 381 2HH2 ARG 46 2HH2 ARG 46 17.607 7.486 -5.701 382 H GLY 47 H GLY 47 9.294 6.366 -3.239 383 1HA GLY 47 1HA GLY 47 9.935 4.856 -1.620 384 2HA GLY 47 2HA GLY 47 11.533 4.807 -2.358 385 H ARG 48 H ARG 48 8.660 3.140 -1.845 386 HA ARG 48 HA ARG 48 8.901 1.378 -4.159 387 1HB ARG 48 1HB ARG 48 9.919 0.688 -1.459 388 2HB ARG 48 2HB ARG 48 8.948 -0.549 -2.255 389 1HG ARG 48 1HG ARG 48 10.403 -0.274 -4.293 390 2HG ARG 48 2HG ARG 48 11.439 0.790 -3.343 391 1HD ARG 48 1HD ARG 48 12.315 -1.508 -3.332 392 2HD ARG 48 2HD ARG 48 11.818 -1.020 -1.716 393 HE ARG 48 HE ARG 48 9.636 -2.299 -2.935 394 1HH1 ARG 48 1HH1 ARG 48 12.867 -3.063 -1.827 395 2HH1 ARG 48 2HH1 ARG 48 12.480 -4.711 -1.479 396 1HH2 ARG 48 1HH2 ARG 48 9.174 -4.457 -2.467 397 2HH2 ARG 48 2HH2 ARG 48 10.407 -5.496 -1.837 398 H GLN 49 H GLN 49 7.411 -0.708 -3.481 399 HA GLN 49 HA GLN 49 4.797 0.491 -2.966 400 1HB GLN 49 1HB GLN 49 5.767 -2.032 -4.224 401 2HB GLN 49 2HB GLN 49 4.170 -2.051 -3.476 402 1HG GLN 49 1HG GLN 49 3.287 -0.559 -4.993 403 2HG GLN 49 2HG GLN 49 4.826 0.269 -5.232 404 2HE2 GLN 49 2HE2 GLN 49 5.847 -0.193 -7.179 405 1HE2 GLN 49 1HE2 GLN 49 5.578 -1.585 -8.113 406 H VAL 50 H VAL 50 3.267 -0.589 -1.520 407 HA VAL 50 HA VAL 50 4.356 -2.345 0.532 408 HB VAL 50 HB VAL 50 3.331 0.417 1.242 409 1HG1 VAL 50 1HG1 VAL 50 2.734 -1.433 2.844 410 2HG1 VAL 50 2HG1 VAL 50 4.458 -1.753 3.035 411 3HG1 VAL 50 3HG1 VAL 50 3.788 -0.203 3.541 412 1HG2 VAL 50 1HG2 VAL 50 6.080 -0.845 1.329 413 2HG2 VAL 50 2HG2 VAL 50 5.589 0.589 0.428 414 3HG2 VAL 50 3HG2 VAL 50 5.670 0.637 2.189 415 H CYS 51 H CYS 51 2.837 -3.738 1.127 416 HA CYS 51 HA CYS 51 0.095 -3.378 0.240 417 1HB CYS 51 1HB CYS 51 1.271 -5.618 1.906 418 2HB CYS 51 2HB CYS 51 -0.264 -5.639 1.039 419 H ALA 52 H ALA 52 -1.569 -2.679 1.465 420 HA ALA 52 HA ALA 52 -1.419 -2.864 4.374 421 1HB ALA 52 1HB ALA 52 -0.372 -0.621 3.428 422 2HB ALA 52 2HB ALA 52 -2.067 -0.153 3.306 423 3HB ALA 52 3HB ALA 52 -1.389 -0.615 4.867 424 H ASP 53 H ASP 53 -3.373 -3.073 5.297 425 HA ASP 53 HA ASP 53 -5.697 -3.182 3.530 426 1HB ASP 53 1HB ASP 53 -5.025 -4.218 6.242 427 2HB ASP 53 2HB ASP 53 -6.722 -3.876 5.906 428 H LYS 54 H LYS 54 -7.478 -1.887 3.684 429 HA LYS 54 HA LYS 54 -7.161 0.741 4.673 430 1HB LYS 54 1HB LYS 54 -8.727 0.067 2.831 431 2HB LYS 54 2HB LYS 54 -9.775 -0.654 4.053 432 1HG LYS 54 1HG LYS 54 -10.039 1.507 5.159 433 2HG LYS 54 2HG LYS 54 -8.908 2.252 4.028 434 1HD LYS 54 1HD LYS 54 -10.472 1.531 2.161 435 2HD LYS 54 2HD LYS 54 -11.639 1.101 3.412 436 1HE LYS 54 1HE LYS 54 -11.012 3.585 4.248 437 2HE LYS 54 2HE LYS 54 -10.724 3.788 2.520 438 1HZ LYS 54 1HZ LYS 54 -13.185 2.473 3.450 439 2HZ LYS 54 2HZ LYS 54 -13.080 4.165 3.470 440 3HZ LYS 54 3HZ LYS 54 -12.900 3.322 2.006 441 H SER 55 H SER 55 -8.416 -2.185 6.113 442 HA SER 55 HA SER 55 -9.982 -1.171 8.183 443 1HB SER 55 1HB SER 55 -9.183 -3.663 7.451 444 2HB SER 55 2HB SER 55 -8.242 -3.433 8.920 445 HG SER 55 HG SER 55 -10.024 -3.788 9.956 446 H LYS 56 H LYS 56 -6.516 -1.168 7.799 447 HA LYS 56 HA LYS 56 -5.723 -0.813 10.475 448 1HB LYS 56 1HB LYS 56 -4.496 0.166 7.891 449 2HB LYS 56 2HB LYS 56 -3.720 0.352 9.464 450 1HG LYS 56 1HG LYS 56 -4.717 -2.362 8.702 451 2HG LYS 56 2HG LYS 56 -3.235 -1.778 7.945 452 1HD LYS 56 1HD LYS 56 -2.124 -1.554 10.024 453 2HD LYS 56 2HD LYS 56 -3.633 -1.641 10.934 454 1HE LYS 56 1HE LYS 56 -3.821 -4.017 9.791 455 2HE LYS 56 2HE LYS 56 -2.071 -3.849 9.642 456 1HZ LYS 56 1HZ LYS 56 -3.496 -3.397 12.198 457 2HZ LYS 56 2HZ LYS 56 -2.920 -4.928 11.737 458 3HZ LYS 56 3HZ LYS 56 -1.835 -3.639 11.953 459 H ASP 57 H ASP 57 -4.486 1.425 10.964 460 HA ASP 57 HA ASP 57 -6.618 3.459 10.909 461 1HB ASP 57 1HB ASP 57 -4.302 2.935 12.753 462 2HB ASP 57 2HB ASP 57 -5.071 4.522 12.703 463 H TRP 58 H TRP 58 -3.084 3.171 10.558 464 HA TRP 58 HA TRP 58 -2.748 5.831 9.597 465 1HB TRP 58 1HB TRP 58 -0.483 5.111 8.944 466 2HB TRP 58 2HB TRP 58 -0.872 4.639 10.593 467 HD1 TRP 58 HD1 TRP 58 -1.320 2.044 11.065 468 HE1 TRP 58 HE1 TRP 58 -0.583 -0.066 9.782 469 HE3 TRP 58 HE3 TRP 58 -0.049 4.132 6.592 470 HZ2 TRP 58 HZ2 TRP 58 0.416 -0.778 7.181 471 HZ3 TRP 58 HZ3 TRP 58 0.790 2.727 4.733 472 HH2 TRP 58 HH2 TRP 58 1.023 0.279 5.023 473 H VAL 59 H VAL 59 -3.574 2.811 8.077 474 HA VAL 59 HA VAL 59 -2.959 3.650 5.395 475 HB VAL 59 HB VAL 59 -4.810 1.441 6.327 476 1HG1 VAL 59 1HG1 VAL 59 -3.742 2.343 3.695 477 2HG1 VAL 59 2HG1 VAL 59 -3.783 0.603 3.983 478 3HG1 VAL 59 3HG1 VAL 59 -5.269 1.547 4.075 479 1HG2 VAL 59 1HG2 VAL 59 -2.494 1.263 7.231 480 2HG2 VAL 59 2HG2 VAL 59 -2.861 -0.019 6.077 481 3HG2 VAL 59 3HG2 VAL 59 -1.869 1.353 5.585 482 H LYS 60 H LYS 60 -5.732 3.788 7.532 483 HA LYS 60 HA LYS 60 -7.692 4.438 5.586 484 1HB LYS 60 1HB LYS 60 -8.031 3.711 8.041 485 2HB LYS 60 2HB LYS 60 -7.766 5.411 8.435 486 1HG LYS 60 1HG LYS 60 -9.575 5.999 6.784 487 2HG LYS 60 2HG LYS 60 -9.911 4.275 6.620 488 1HD LYS 60 1HD LYS 60 -10.072 4.328 9.236 489 2HD LYS 60 2HD LYS 60 -10.316 6.059 9.005 490 1HE LYS 60 1HE LYS 60 -12.510 5.339 8.874 491 2HE LYS 60 2HE LYS 60 -12.053 5.212 7.175 492 1HZ LYS 60 1HZ LYS 60 -11.321 2.855 7.823 493 2HZ LYS 60 2HZ LYS 60 -12.313 3.073 9.185 494 3HZ LYS 60 3HZ LYS 60 -12.981 3.161 7.629 495 H LYS 61 H LYS 61 -5.607 6.422 7.664 496 HA LYS 61 HA LYS 61 -6.646 8.937 6.910 497 1HB LYS 61 1HB LYS 61 -4.912 8.251 8.785 498 2HB LYS 61 2HB LYS 61 -3.735 8.634 7.529 499 1HG LYS 61 1HG LYS 61 -4.320 10.875 7.467 500 2HG LYS 61 2HG LYS 61 -5.966 10.568 8.022 501 1HD LYS 61 1HD LYS 61 -5.014 11.503 9.932 502 2HD LYS 61 2HD LYS 61 -4.763 9.782 10.230 503 1HE LYS 61 1HE LYS 61 -2.482 9.904 9.478 504 2HE LYS 61 2HE LYS 61 -2.709 11.543 8.869 505 1HZ LYS 61 1HZ LYS 61 -3.155 12.259 11.157 506 2HZ LYS 61 2HZ LYS 61 -2.832 10.688 11.710 507 3HZ LYS 61 3HZ LYS 61 -1.597 11.603 10.986 508 H LEU 62 H LEU 62 -3.985 6.997 5.585 509 HA LEU 62 HA LEU 62 -3.106 8.857 3.654 510 1HB LEU 62 1HB LEU 62 -3.057 5.845 3.567 511 2HB LEU 62 2HB LEU 62 -2.184 6.895 2.473 512 HG LEU 62 HG LEU 62 -1.707 7.171 5.413 513 1HD1 LEU 62 1HD1 LEU 62 -0.922 4.877 3.645 514 2HD1 LEU 62 2HD1 LEU 62 0.204 5.434 4.883 515 3HD1 LEU 62 3HD1 LEU 62 -1.400 4.867 5.342 516 1HD2 LEU 62 1HD2 LEU 62 -0.220 7.614 2.829 517 2HD2 LEU 62 2HD2 LEU 62 -0.521 8.755 4.140 518 3HD2 LEU 62 3HD2 LEU 62 0.663 7.465 4.349 519 H MET 63 H MET 63 -5.491 6.257 3.521 520 HA MET 63 HA MET 63 -6.165 6.328 0.822 521 1HB MET 63 1HB MET 63 -7.742 5.682 3.295 522 2HB MET 63 2HB MET 63 -8.525 5.691 1.715 523 1HG MET 63 1HG MET 63 -6.322 4.253 1.105 524 2HG MET 63 2HG MET 63 -6.477 3.828 2.808 525 1HE MET 63 1HE MET 63 -6.933 3.105 -0.402 526 2HE MET 63 2HE MET 63 -7.101 1.465 0.219 527 3HE MET 63 3HE MET 63 -8.412 2.201 -0.714 528 H GLN 64 H GLN 64 -7.164 8.443 3.445 529 HA GLN 64 HA GLN 64 -9.023 9.906 1.738 530 1HB GLN 64 1HB GLN 64 -9.465 9.511 4.186 531 2HB GLN 64 2HB GLN 64 -8.119 10.596 4.541 532 1HG GLN 64 1HG GLN 64 -9.377 12.241 2.929 533 2HG GLN 64 2HG GLN 64 -10.775 11.227 3.287 534 2HE2 GLN 64 2HE2 GLN 64 -11.972 12.237 4.902 535 1HE2 GLN 64 1HE2 GLN 64 -11.315 12.969 6.284 536 H GLN 65 H GLN 65 -5.779 10.200 3.024 537 HA GLN 65 HA GLN 65 -5.427 12.965 2.376 538 1HB GLN 65 1HB GLN 65 -3.642 10.722 3.213 539 2HB GLN 65 2HB GLN 65 -2.912 12.163 2.506 540 1HG GLN 65 1HG GLN 65 -4.986 12.720 4.536 541 2HG GLN 65 2HG GLN 65 -3.557 11.897 5.159 542 2HE2 GLN 65 2HE2 GLN 65 -2.396 13.592 6.139 543 1HE2 GLN 65 1HE2 GLN 65 -1.938 15.015 5.338 544 H LEU 66 H LEU 66 -4.923 9.924 0.690 545 HA LEU 66 HA LEU 66 -3.903 11.419 -1.651 546 1HB LEU 66 1HB LEU 66 -3.769 8.442 -1.341 547 2HB LEU 66 2HB LEU 66 -2.809 9.482 -2.372 548 HG LEU 66 HG LEU 66 -2.591 9.225 0.636 549 1HD1 LEU 66 1HD1 LEU 66 -1.618 7.520 -1.207 550 2HD1 LEU 66 2HD1 LEU 66 -0.335 8.730 -1.245 551 3HD1 LEU 66 3HD1 LEU 66 -0.738 7.917 0.268 552 1HD2 LEU 66 1HD2 LEU 66 -1.437 11.155 -1.352 553 2HD2 LEU 66 2HD2 LEU 66 -2.010 11.456 0.288 554 3HD2 LEU 66 3HD2 LEU 66 -0.456 10.663 0.028 555 HA PRO 67 HA PRO 67 -7.673 10.344 -3.675 556 1HB PRO 67 1HB PRO 67 -6.890 10.539 -6.294 557 2HB PRO 67 2HB PRO 67 -7.185 11.932 -5.243 558 1HG PRO 67 1HG PRO 67 -4.614 10.812 -6.197 559 2HG PRO 67 2HG PRO 67 -5.013 12.464 -5.705 560 1HD PRO 67 1HD PRO 67 -3.630 10.542 -4.149 561 2HD PRO 67 2HD PRO 67 -4.287 12.091 -3.572 562 H VAL 68 H VAL 68 -5.386 9.000 -6.030 563 HA VAL 68 HA VAL 68 -5.403 6.321 -5.307 564 HB VAL 68 HB VAL 68 -7.912 7.190 -6.618 565 1HG1 VAL 68 1HG1 VAL 68 -6.838 6.118 -8.583 566 2HG1 VAL 68 2HG1 VAL 68 -6.561 4.665 -7.622 567 3HG1 VAL 68 3HG1 VAL 68 -8.208 5.179 -7.990 568 1HG2 VAL 68 1HG2 VAL 68 -6.936 5.230 -4.670 569 2HG2 VAL 68 2HG2 VAL 68 -8.509 6.015 -4.783 570 3HG2 VAL 68 3HG2 VAL 68 -8.177 4.570 -5.734 571 H THR 69 H THR 69 -4.644 4.919 -7.115 572 HA THR 69 HA THR 69 -2.600 6.229 -8.585 573 HB THR 69 HB THR 69 -2.693 3.872 -9.834 574 HG1 THR 69 HG1 THR 69 -4.406 2.900 -9.046 575 1HG2 THR 69 1HG2 THR 69 -1.036 4.887 -8.103 576 2HG2 THR 69 2HG2 THR 69 -1.899 3.891 -6.931 577 3HG2 THR 69 3HG2 THR 69 -1.079 3.135 -8.298 578 H ALA 70 H ALA 70 -2.616 7.144 -10.533 579 HA ALA 70 HA ALA 70 -4.296 6.312 -12.681 580 1HB ALA 70 1HB ALA 70 -5.383 8.734 -12.739 581 2HB ALA 70 2HB ALA 70 -5.184 8.607 -10.992 582 3HB ALA 70 3HB ALA 70 -6.147 7.411 -11.859 583 H ARG 71 H ARG 71 -2.710 9.207 -11.338 584 HA ARG 71 HA ARG 71 -1.225 9.459 -13.887 585 1HB ARG 71 1HB ARG 71 -3.030 11.261 -13.280 586 2HB ARG 71 2HB ARG 71 -1.800 11.840 -12.156 587 1HG ARG 71 1HG ARG 71 -0.172 11.932 -14.048 588 2HG ARG 71 2HG ARG 71 -1.475 11.480 -15.148 589 1HD ARG 71 1HD ARG 71 -2.679 13.535 -13.908 590 2HD ARG 71 2HD ARG 71 -1.006 14.049 -13.716 591 HE ARG 71 HE ARG 71 -1.323 13.309 -16.391 592 1HH1 ARG 71 1HH1 ARG 71 -2.611 15.700 -14.182 593 2HH1 ARG 71 2HH1 ARG 71 -2.901 16.862 -15.429 594 1HH2 ARG 71 1HH2 ARG 71 -1.718 14.853 -17.986 595 2HH2 ARG 71 2HH2 ARG 71 -2.400 16.389 -17.565 No H/Q in entry = 595 Start of MODEL 9 1 H1 LEU 1 H1 LEU 1 -5.056 -17.682 -5.947 2 H2 LEU 1 H2 LEU 1 -5.174 -19.338 -5.599 3 H3 LEU 1 H3 LEU 1 -3.823 -18.455 -5.069 4 HA LEU 1 HA LEU 1 -3.092 -18.109 -7.322 5 1HB LEU 1 1HB LEU 1 -3.710 -20.914 -6.414 6 2HB LEU 1 2HB LEU 1 -2.885 -20.630 -7.946 7 HG LEU 1 HG LEU 1 -1.935 -19.373 -5.368 8 1HD1 LEU 1 1HD1 LEU 1 -1.468 -22.128 -6.471 9 2HD1 LEU 1 2HD1 LEU 1 -0.164 -21.308 -5.612 10 3HD1 LEU 1 3HD1 LEU 1 -1.696 -21.624 -4.797 11 1HD2 LEU 1 1HD2 LEU 1 -0.836 -19.814 -8.143 12 2HD2 LEU 1 2HD2 LEU 1 -0.936 -18.312 -7.224 13 3HD2 LEU 1 3HD2 LEU 1 0.249 -19.540 -6.780 14 H GLY 2 H GLY 2 -3.355 -19.349 -9.552 15 1HA GLY 2 1HA GLY 2 -4.959 -18.534 -11.306 16 2HA GLY 2 2HA GLY 2 -6.220 -19.247 -10.304 17 H ALA 3 H ALA 3 -6.767 -20.489 -12.223 18 HA ALA 3 HA ALA 3 -5.120 -22.930 -12.422 19 1HB ALA 3 1HB ALA 3 -7.150 -24.012 -13.290 20 2HB ALA 3 2HB ALA 3 -8.014 -22.478 -13.191 21 3HB ALA 3 3HB ALA 3 -7.456 -23.272 -11.718 22 H SER 4 H SER 4 -3.859 -23.080 -14.142 23 HA SER 4 HA SER 4 -3.058 -22.900 -16.291 24 1HB SER 4 1HB SER 4 -5.245 -24.033 -16.803 25 2HB SER 4 2HB SER 4 -5.943 -22.440 -17.077 26 HG SER 4 HG SER 4 -3.651 -23.477 -18.397 27 H TRP 5 H TRP 5 -2.930 -21.385 -18.199 28 HA TRP 5 HA TRP 5 -2.540 -19.278 -19.027 29 1HB TRP 5 1HB TRP 5 -5.152 -19.131 -17.752 30 2HB TRP 5 2HB TRP 5 -4.314 -17.585 -17.646 31 HD1 TRP 5 HD1 TRP 5 -6.753 -18.881 -19.724 32 HE1 TRP 5 HE1 TRP 5 -6.518 -18.185 -22.195 33 HE3 TRP 5 HE3 TRP 5 -1.882 -17.348 -19.750 34 HZ2 TRP 5 HZ2 TRP 5 -4.527 -17.117 -23.952 35 HZ3 TRP 5 HZ3 TRP 5 -0.843 -16.497 -21.833 36 HH2 TRP 5 HH2 TRP 5 -2.158 -16.380 -23.932 37 H HIS 6 H HIS 6 -0.707 -18.340 -18.472 38 HA HIS 6 HA HIS 6 0.176 -18.016 -15.792 39 1HB HIS 6 1HB HIS 6 1.615 -18.180 -17.908 40 2HB HIS 6 2HB HIS 6 1.253 -16.470 -18.145 41 HD1 HIS 6 HD1 HIS 6 2.260 -18.532 -15.084 42 HD2 HIS 6 HD2 HIS 6 3.307 -15.006 -17.046 43 HE1 HIS 6 HE1 HIS 6 4.121 -17.481 -13.724 44 H ARG 7 H ARG 7 -1.545 -16.878 -14.774 45 HA ARG 7 HA ARG 7 -1.625 -13.992 -15.437 46 1HB ARG 7 1HB ARG 7 -3.790 -15.324 -15.704 47 2HB ARG 7 2HB ARG 7 -3.780 -15.491 -13.948 48 1HG ARG 7 1HG ARG 7 -5.052 -13.550 -14.238 49 2HG ARG 7 2HG ARG 7 -3.438 -12.892 -13.969 50 1HD ARG 7 1HD ARG 7 -4.027 -11.733 -15.882 51 2HD ARG 7 2HD ARG 7 -3.254 -13.141 -16.598 52 HE ARG 7 HE ARG 7 -5.998 -13.702 -16.260 53 1HH1 ARG 7 1HH1 ARG 7 -3.898 -11.634 -18.149 54 2HH1 ARG 7 2HH1 ARG 7 -4.990 -11.556 -19.488 55 1HH2 ARG 7 1HH2 ARG 7 -7.393 -13.575 -18.028 56 2HH2 ARG 7 2HH2 ARG 7 -6.953 -12.645 -19.422 57 HA PRO 8 HA PRO 8 0.157 -14.268 -11.217 58 1HB PRO 8 1HB PRO 8 2.067 -12.350 -11.587 59 2HB PRO 8 2HB PRO 8 2.290 -14.053 -12.014 60 1HG PRO 8 1HG PRO 8 1.862 -11.717 -13.776 61 2HG PRO 8 2HG PRO 8 2.655 -13.260 -14.123 62 1HD PRO 8 1HD PRO 8 0.019 -12.498 -14.878 63 2HD PRO 8 2HD PRO 8 0.742 -14.117 -15.023 64 H ASP 9 H ASP 9 -1.689 -13.345 -10.250 65 HA ASP 9 HA ASP 9 -1.958 -10.414 -10.367 66 1HB ASP 9 1HB ASP 9 -3.813 -12.652 -9.635 67 2HB ASP 9 2HB ASP 9 -4.100 -11.039 -8.983 68 H LYS 10 H LYS 10 -1.194 -9.216 -8.767 69 HA LYS 10 HA LYS 10 -0.009 -10.383 -6.435 70 1HB LYS 10 1HB LYS 10 -0.655 -7.470 -6.952 71 2HB LYS 10 2HB LYS 10 0.496 -8.104 -5.774 72 1HG LYS 10 1HG LYS 10 1.863 -9.048 -7.571 73 2HG LYS 10 2HG LYS 10 0.692 -8.504 -8.774 74 1HD LYS 10 1HD LYS 10 1.143 -6.194 -8.289 75 2HD LYS 10 2HD LYS 10 2.105 -6.619 -6.873 76 1HE LYS 10 1HE LYS 10 3.552 -7.972 -8.588 77 2HE LYS 10 2HE LYS 10 2.794 -6.920 -9.784 78 1HZ LYS 10 1HZ LYS 10 4.165 -5.918 -7.353 79 2HZ LYS 10 2HZ LYS 10 4.929 -6.077 -8.861 80 3HZ LYS 10 3HZ LYS 10 3.621 -5.008 -8.677 81 H CYS 11 H CYS 11 -1.453 -11.406 -5.132 82 HA CYS 11 HA CYS 11 -3.918 -10.047 -4.321 83 1HB CYS 11 1HB CYS 11 -2.820 -12.785 -3.627 84 2HB CYS 11 2HB CYS 11 -4.401 -12.177 -3.151 85 H CYS 12 H CYS 12 -0.977 -9.404 -3.417 86 HA CYS 12 HA CYS 12 -0.008 -8.537 -1.542 87 1HB CYS 12 1HB CYS 12 -2.896 -8.490 -0.837 88 2HB CYS 12 2HB CYS 12 -1.749 -8.324 0.489 89 H LEU 13 H LEU 13 -2.420 -10.653 -0.018 90 HA LEU 13 HA LEU 13 -2.195 -12.500 1.340 91 1HB LEU 13 1HB LEU 13 -0.534 -13.033 -0.690 92 2HB LEU 13 2HB LEU 13 0.645 -12.923 0.598 93 HG LEU 13 HG LEU 13 -0.725 -14.649 1.851 94 1HD1 LEU 13 1HD1 LEU 13 -2.755 -14.135 0.296 95 2HD1 LEU 13 2HD1 LEU 13 -1.969 -15.244 -0.829 96 3HD1 LEU 13 3HD1 LEU 13 -2.462 -15.808 0.768 97 1HD2 LEU 13 1HD2 LEU 13 1.328 -15.010 0.254 98 2HD2 LEU 13 2HD2 LEU 13 0.397 -16.410 0.785 99 3HD2 LEU 13 3HD2 LEU 13 0.134 -15.735 -0.822 100 H GLY 14 H GLY 14 -1.007 -9.686 1.956 101 1HA GLY 14 1HA GLY 14 1.160 -9.918 3.711 102 2HA GLY 14 2HA GLY 14 -0.313 -10.172 4.644 103 H TYR 15 H TYR 15 0.883 -8.082 5.534 104 HA TYR 15 HA TYR 15 0.255 -5.675 4.022 105 1HB TYR 15 1HB TYR 15 -1.130 -6.265 6.649 106 2HB TYR 15 2HB TYR 15 -1.195 -4.733 5.777 107 HD1 TYR 15 HD1 TYR 15 -2.278 -4.607 3.539 108 HD2 TYR 15 HD2 TYR 15 -2.415 -8.171 5.930 109 HE1 TYR 15 HE1 TYR 15 -4.135 -5.470 2.142 110 HE2 TYR 15 HE2 TYR 15 -4.271 -9.037 4.531 111 HH TYR 15 HH TYR 15 -5.094 -7.717 1.548 112 H GLN 16 H GLN 16 0.843 -3.692 5.303 113 HA GLN 16 HA GLN 16 3.435 -4.127 6.520 114 1HB GLN 16 1HB GLN 16 2.576 -2.127 4.980 115 2HB GLN 16 2HB GLN 16 2.154 -1.436 6.543 116 1HG GLN 16 1HG GLN 16 4.395 -0.723 6.058 117 2HG GLN 16 2HG GLN 16 4.517 -1.970 7.297 118 2HE2 GLN 16 2HE2 GLN 16 6.745 -1.445 5.645 119 1HE2 GLN 16 1HE2 GLN 16 6.986 -2.759 4.598 120 H LYS 17 H LYS 17 3.764 -4.443 8.599 121 HA LYS 17 HA LYS 17 1.640 -4.062 10.521 122 1HB LYS 17 1HB LYS 17 4.490 -5.030 10.758 123 2HB LYS 17 2HB LYS 17 3.430 -4.835 12.155 124 1HG LYS 17 1HG LYS 17 1.756 -6.247 10.649 125 2HG LYS 17 2HG LYS 17 3.256 -6.797 9.902 126 1HD LYS 17 1HD LYS 17 4.007 -7.829 11.839 127 2HD LYS 17 2HD LYS 17 3.076 -6.762 12.891 128 1HE LYS 17 1HE LYS 17 2.043 -8.960 12.925 129 2HE LYS 17 2HE LYS 17 0.981 -7.856 12.052 130 1HZ LYS 17 1HZ LYS 17 2.174 -8.664 9.986 131 2HZ LYS 17 2HZ LYS 17 2.785 -9.923 10.948 132 3HZ LYS 17 3HZ LYS 17 1.109 -9.757 10.725 133 H ARG 18 H ARG 18 4.135 -2.094 9.256 134 HA ARG 18 HA ARG 18 4.007 -0.336 11.629 135 1HB ARG 18 1HB ARG 18 6.136 0.653 10.753 136 2HB ARG 18 2HB ARG 18 6.287 -1.039 11.226 137 1HG ARG 18 1HG ARG 18 6.086 -1.758 8.911 138 2HG ARG 18 2HG ARG 18 5.774 -0.102 8.389 139 1HD ARG 18 1HD ARG 18 8.264 -0.595 9.949 140 2HD ARG 18 2HD ARG 18 8.225 -1.185 8.291 141 HE ARG 18 HE ARG 18 7.312 1.506 8.387 142 1HH1 ARG 18 1HH1 ARG 18 10.227 -0.414 8.658 143 2HH1 ARG 18 2HH1 ARG 18 11.254 0.862 8.104 144 1HH2 ARG 18 1HH2 ARG 18 8.688 3.142 7.668 145 2HH2 ARG 18 2HH2 ARG 18 10.392 2.859 7.548 146 HA PRO 19 HA PRO 19 2.036 2.568 8.926 147 1HB PRO 19 1HB PRO 19 2.324 4.829 10.432 148 2HB PRO 19 2HB PRO 19 1.179 3.536 10.809 149 1HG PRO 19 1HG PRO 19 3.701 4.246 12.157 150 2HG PRO 19 2HG PRO 19 2.298 3.366 12.778 151 1HD PRO 19 1HD PRO 19 4.777 2.250 11.897 152 2HD PRO 19 2HD PRO 19 3.309 1.367 12.379 153 H LEU 20 H LEU 20 2.614 3.728 7.173 154 HA LEU 20 HA LEU 20 5.378 4.729 7.025 155 1HB LEU 20 1HB LEU 20 3.587 4.694 4.650 156 2HB LEU 20 2HB LEU 20 5.314 4.437 4.746 157 HG LEU 20 HG LEU 20 3.145 2.456 5.478 158 1HD1 LEU 20 1HD1 LEU 20 5.224 2.530 3.271 159 2HD1 LEU 20 2HD1 LEU 20 4.142 1.175 3.592 160 3HD1 LEU 20 3HD1 LEU 20 3.483 2.725 3.069 161 1HD2 LEU 20 1HD2 LEU 20 5.662 2.648 6.635 162 2HD2 LEU 20 2HD2 LEU 20 4.691 1.182 6.543 163 3HD2 LEU 20 3HD2 LEU 20 5.921 1.501 5.322 164 HA PRO 21 HA PRO 21 3.747 8.869 7.085 165 1HB PRO 21 1HB PRO 21 6.002 10.211 6.326 166 2HB PRO 21 2HB PRO 21 5.777 9.500 7.933 167 1HG PRO 21 1HG PRO 21 7.499 8.597 5.711 168 2HG PRO 21 2HG PRO 21 7.643 8.285 7.446 169 1HD PRO 21 1HD PRO 21 6.618 6.505 5.460 170 2HD PRO 21 2HD PRO 21 6.621 6.262 7.222 171 H GLN 22 H GLN 22 2.698 10.216 5.693 172 HA GLN 22 HA GLN 22 2.688 9.643 2.884 173 1HB GLN 22 1HB GLN 22 0.737 10.523 4.291 174 2HB GLN 22 2HB GLN 22 1.510 12.104 4.170 175 1HG GLN 22 1HG GLN 22 1.230 10.604 1.623 176 2HG GLN 22 2HG GLN 22 -0.271 11.182 2.344 177 2HE2 GLN 22 2HE2 GLN 22 0.238 13.624 3.350 178 1HE2 GLN 22 1HE2 GLN 22 0.901 14.672 2.191 179 H VAL 23 H VAL 23 4.752 11.516 4.814 180 HA VAL 23 HA VAL 23 5.286 13.805 3.369 181 HB VAL 23 HB VAL 23 6.277 13.279 5.560 182 1HG1 VAL 23 1HG1 VAL 23 6.836 10.838 4.593 183 2HG1 VAL 23 2HG1 VAL 23 8.398 11.605 4.304 184 3HG1 VAL 23 3HG1 VAL 23 7.734 11.544 5.937 185 1HG2 VAL 23 1HG2 VAL 23 7.330 14.930 3.921 186 2HG2 VAL 23 2HG2 VAL 23 8.402 14.304 5.173 187 3HG2 VAL 23 3HG2 VAL 23 8.491 13.660 3.534 188 H LEU 24 H LEU 24 6.012 10.507 2.509 189 HA LEU 24 HA LEU 24 7.394 11.520 0.104 190 1HB LEU 24 1HB LEU 24 9.034 9.884 0.169 191 2HB LEU 24 2HB LEU 24 8.918 10.436 1.819 192 HG LEU 24 HG LEU 24 9.156 8.123 2.020 193 1HD1 LEU 24 1HD1 LEU 24 7.135 9.033 3.236 194 2HD1 LEU 24 2HD1 LEU 24 6.145 8.400 1.922 195 3HD1 LEU 24 3HD1 LEU 24 7.092 7.299 2.921 196 1HD2 LEU 24 1HD2 LEU 24 8.488 7.966 -0.578 197 2HD2 LEU 24 2HD2 LEU 24 8.500 6.554 0.478 198 3HD2 LEU 24 3HD2 LEU 24 6.982 7.379 0.126 199 H LEU 25 H LEU 25 4.663 9.982 1.143 200 HA LEU 25 HA LEU 25 4.519 7.911 -0.861 201 1HB LEU 25 1HB LEU 25 3.243 8.275 1.474 202 2HB LEU 25 2HB LEU 25 2.066 8.993 0.401 203 HG LEU 25 HG LEU 25 1.767 6.915 -0.773 204 1HD1 LEU 25 1HD1 LEU 25 4.384 6.325 0.356 205 2HD1 LEU 25 2HD1 LEU 25 3.250 5.012 0.669 206 3HD1 LEU 25 3HD1 LEU 25 3.547 5.544 -0.984 207 1HD2 LEU 25 1HD2 LEU 25 1.717 6.906 2.218 208 2HD2 LEU 25 2HD2 LEU 25 0.375 6.838 1.076 209 3HD2 LEU 25 3HD2 LEU 25 1.354 5.401 1.374 210 H SER 26 H SER 26 2.471 7.949 -2.316 211 HA SER 26 HA SER 26 2.085 10.653 -3.440 212 1HB SER 26 1HB SER 26 2.433 9.909 -5.667 213 2HB SER 26 2HB SER 26 3.786 9.271 -4.741 214 HG SER 26 HG SER 26 1.805 7.968 -6.074 215 H SER 27 H SER 27 0.992 7.277 -3.847 216 HA SER 27 HA SER 27 -1.756 8.041 -3.299 217 1HB SER 27 1HB SER 27 -0.770 7.662 -6.049 218 2HB SER 27 2HB SER 27 -2.230 6.763 -5.658 219 HG SER 27 HG SER 27 -1.750 9.536 -5.628 220 H TRP 28 H TRP 28 -3.145 5.956 -4.098 221 HA TRP 28 HA TRP 28 -1.724 3.485 -3.383 222 1HB TRP 28 1HB TRP 28 -3.575 2.889 -1.795 223 2HB TRP 28 2HB TRP 28 -2.585 4.237 -1.241 224 HD1 TRP 28 HD1 TRP 28 -3.641 6.664 -1.277 225 HE1 TRP 28 HE1 TRP 28 -6.076 7.494 -1.426 226 HE3 TRP 28 HE3 TRP 28 -5.949 2.357 -2.788 227 HZ2 TRP 28 HZ2 TRP 28 -8.659 6.461 -2.117 228 HZ3 TRP 28 HZ3 TRP 28 -8.389 2.315 -3.186 229 HH2 TRP 28 HH2 TRP 28 -9.749 4.359 -2.847 230 H TYR 29 H TYR 29 -2.675 1.623 -4.250 231 HA TYR 29 HA TYR 29 -5.148 2.051 -5.784 232 1HB TYR 29 1HB TYR 29 -4.324 1.231 -7.790 233 2HB TYR 29 2HB TYR 29 -2.968 2.171 -7.192 234 HD1 TYR 29 HD1 TYR 29 -1.270 0.739 -5.628 235 HD2 TYR 29 HD2 TYR 29 -3.913 -0.880 -8.604 236 HE1 TYR 29 HE1 TYR 29 0.165 -1.272 -5.817 237 HE2 TYR 29 HE2 TYR 29 -2.475 -2.885 -8.791 238 HH TYR 29 HH TYR 29 -0.705 -4.054 -6.980 239 HA PRO 30 HA PRO 30 -6.112 -1.778 -3.730 240 1HB PRO 30 1HB PRO 30 -8.615 -2.132 -4.760 241 2HB PRO 30 2HB PRO 30 -8.233 -0.957 -3.493 242 1HG PRO 30 1HG PRO 30 -8.858 -0.501 -6.343 243 2HG PRO 30 2HG PRO 30 -9.032 0.590 -4.961 244 1HD PRO 30 1HD PRO 30 -6.945 0.609 -6.907 245 2HD PRO 30 2HD PRO 30 -7.034 1.581 -5.419 246 H THR 31 H THR 31 -5.503 -3.804 -4.214 247 HA THR 31 HA THR 31 -5.026 -4.668 -6.890 248 HB THR 31 HB THR 31 -3.658 -5.604 -5.149 249 HG1 THR 31 HG1 THR 31 -3.779 -7.254 -6.433 250 1HG2 THR 31 1HG2 THR 31 -6.295 -6.081 -3.857 251 2HG2 THR 31 2HG2 THR 31 -5.025 -7.268 -3.556 252 3HG2 THR 31 3HG2 THR 31 -4.764 -5.573 -3.142 253 H SER 32 H SER 32 -5.931 -7.001 -7.454 254 HA SER 32 HA SER 32 -8.629 -6.686 -8.158 255 1HB SER 32 1HB SER 32 -7.599 -9.458 -7.886 256 2HB SER 32 2HB SER 32 -8.429 -8.690 -9.235 257 HG SER 32 HG SER 32 -6.460 -8.634 -10.013 258 H GLN 33 H GLN 33 -10.536 -7.413 -7.320 259 HA GLN 33 HA GLN 33 -10.645 -7.842 -4.490 260 1HB GLN 33 1HB GLN 33 -13.100 -8.139 -4.915 261 2HB GLN 33 2HB GLN 33 -12.445 -6.618 -5.512 262 1HG GLN 33 1HG GLN 33 -12.473 -7.365 -7.762 263 2HG GLN 33 2HG GLN 33 -12.656 -9.053 -7.287 264 2HE2 GLN 33 2HE2 GLN 33 -14.715 -9.635 -8.024 265 1HE2 GLN 33 1HE2 GLN 33 -16.132 -8.756 -7.704 266 H LEU 34 H LEU 34 -10.796 -9.879 -7.333 267 HA LEU 34 HA LEU 34 -11.682 -12.212 -5.875 268 1HB LEU 34 1HB LEU 34 -11.648 -13.347 -7.917 269 2HB LEU 34 2HB LEU 34 -12.192 -11.732 -8.292 270 HG LEU 34 HG LEU 34 -9.639 -13.111 -9.060 271 1HD1 LEU 34 1HD1 LEU 34 -11.602 -13.053 -10.556 272 2HD1 LEU 34 2HD1 LEU 34 -11.590 -11.290 -10.491 273 3HD1 LEU 34 3HD1 LEU 34 -10.245 -12.154 -11.236 274 1HD2 LEU 34 1HD2 LEU 34 -8.985 -10.914 -7.973 275 2HD2 LEU 34 2HD2 LEU 34 -8.602 -11.008 -9.687 276 3HD2 LEU 34 3HD2 LEU 34 -10.010 -10.098 -9.148 277 H CYS 35 H CYS 35 -9.663 -11.519 -4.407 278 HA CYS 35 HA CYS 35 -7.465 -13.342 -5.174 279 1HB CYS 35 1HB CYS 35 -7.388 -10.526 -4.262 280 2HB CYS 35 2HB CYS 35 -6.217 -11.601 -3.509 281 H SER 36 H SER 36 -9.944 -13.659 -3.466 282 HA SER 36 HA SER 36 -10.488 -14.810 -1.555 283 1HB SER 36 1HB SER 36 -7.711 -15.140 -0.589 284 2HB SER 36 2HB SER 36 -9.001 -16.327 -0.745 285 HG SER 36 HG SER 36 -6.989 -16.127 -2.302 286 H LYS 37 H LYS 37 -7.475 -13.168 -0.626 287 HA LYS 37 HA LYS 37 -9.033 -11.510 1.258 288 1HB LYS 37 1HB LYS 37 -7.179 -11.741 2.900 289 2HB LYS 37 2HB LYS 37 -7.990 -13.273 2.580 290 1HG LYS 37 1HG LYS 37 -6.073 -14.200 1.846 291 2HG LYS 37 2HG LYS 37 -5.839 -12.901 0.680 292 1HD LYS 37 1HD LYS 37 -3.940 -12.946 2.201 293 2HD LYS 37 2HD LYS 37 -4.886 -11.490 2.512 294 1HE LYS 37 1HE LYS 37 -4.217 -12.680 4.608 295 2HE LYS 37 2HE LYS 37 -5.966 -12.542 4.424 296 1HZ LYS 37 1HZ LYS 37 -4.524 -14.916 3.431 297 2HZ LYS 37 2HZ LYS 37 -4.980 -14.802 5.060 298 3HZ LYS 37 3HZ LYS 37 -6.165 -14.758 3.844 299 HA PRO 38 HA PRO 38 -6.086 -8.986 -1.282 300 1HB PRO 38 1HB PRO 38 -7.936 -7.353 -2.451 301 2HB PRO 38 2HB PRO 38 -7.427 -8.907 -3.126 302 1HG PRO 38 1HG PRO 38 -9.969 -8.178 -1.812 303 2HG PRO 38 2HG PRO 38 -9.627 -9.479 -2.962 304 1HD PRO 38 1HD PRO 38 -9.909 -9.724 -0.132 305 2HD PRO 38 2HD PRO 38 -9.395 -10.990 -1.272 306 H GLY 39 H GLY 39 -6.405 -6.374 -1.618 307 1HA GLY 39 1HA GLY 39 -5.892 -5.190 0.862 308 2HA GLY 39 2HA GLY 39 -7.584 -4.878 0.472 309 H VAL 40 H VAL 40 -4.731 -3.425 0.394 310 HA VAL 40 HA VAL 40 -4.818 -2.397 -2.335 311 HB VAL 40 HB VAL 40 -5.134 -0.495 0.005 312 1HG1 VAL 40 1HG1 VAL 40 -4.048 0.005 -2.426 313 2HG1 VAL 40 2HG1 VAL 40 -5.749 0.282 -2.785 314 3HG1 VAL 40 3HG1 VAL 40 -4.958 1.199 -1.505 315 1HG2 VAL 40 1HG2 VAL 40 -7.146 -1.601 -1.960 316 2HG2 VAL 40 2HG2 VAL 40 -7.224 -1.641 -0.199 317 3HG2 VAL 40 3HG2 VAL 40 -7.416 -0.112 -1.057 318 H ILE 41 H ILE 41 -2.900 -1.565 -3.005 319 HA ILE 41 HA ILE 41 -0.661 -1.734 -1.092 320 HB ILE 41 HB ILE 41 -0.778 -2.009 -4.101 321 1HG1 ILE 41 1HG1 ILE 41 0.340 -4.239 -3.392 322 2HG1 ILE 41 2HG1 ILE 41 -0.258 -3.846 -1.779 323 1HG2 ILE 41 1HG2 ILE 41 1.573 -1.636 -2.260 324 2HG2 ILE 41 2HG2 ILE 41 1.735 -2.628 -3.710 325 3HG2 ILE 41 3HG2 ILE 41 1.284 -0.927 -3.851 326 1HD1 ILE 41 1HD1 ILE 41 -2.186 -3.594 -4.037 327 2HD1 ILE 41 2HD1 ILE 41 -1.738 -5.226 -3.539 328 3HD1 ILE 41 3HD1 ILE 41 -2.463 -4.116 -2.375 329 H PHE 42 H PHE 42 0.661 -0.013 -0.760 330 HA PHE 42 HA PHE 42 -0.239 2.570 -1.817 331 1HB PHE 42 1HB PHE 42 1.521 1.712 0.464 332 2HB PHE 42 2HB PHE 42 1.680 3.342 -0.188 333 HD1 PHE 42 HD1 PHE 42 -0.360 4.837 -0.288 334 HD2 PHE 42 HD2 PHE 42 -0.308 1.116 1.854 335 HE1 PHE 42 HE1 PHE 42 -2.364 5.543 0.985 336 HE2 PHE 42 HE2 PHE 42 -2.310 1.825 3.133 337 HZ PHE 42 HZ PHE 42 -3.340 4.039 2.700 338 H LEU 43 H LEU 43 0.982 3.846 -3.143 339 HA LEU 43 HA LEU 43 3.524 2.677 -4.110 340 1HB LEU 43 1HB LEU 43 1.292 4.073 -5.506 341 2HB LEU 43 2HB LEU 43 2.917 4.300 -6.115 342 HG LEU 43 HG LEU 43 3.144 1.913 -6.513 343 1HD1 LEU 43 1HD1 LEU 43 0.392 1.766 -5.251 344 2HD1 LEU 43 2HD1 LEU 43 1.148 0.436 -6.127 345 3HD1 LEU 43 3HD1 LEU 43 1.876 1.037 -4.639 346 1HD2 LEU 43 1HD2 LEU 43 0.607 3.216 -7.521 347 2HD2 LEU 43 2HD2 LEU 43 2.155 3.066 -8.351 348 3HD2 LEU 43 3HD2 LEU 43 1.144 1.642 -8.107 349 H THR 44 H THR 44 5.061 3.731 -2.956 350 HA THR 44 HA THR 44 4.873 6.454 -2.153 351 HB THR 44 HB THR 44 7.325 6.225 -1.717 352 HG1 THR 44 HG1 THR 44 7.569 4.707 -3.543 353 1HG2 THR 44 1HG2 THR 44 5.257 4.327 -0.730 354 2HG2 THR 44 2HG2 THR 44 6.930 3.992 -0.290 355 3HG2 THR 44 3HG2 THR 44 6.194 5.530 0.157 356 H LYS 45 H LYS 45 6.559 8.103 -2.875 357 HA LYS 45 HA LYS 45 6.188 8.696 -5.612 358 1HB LYS 45 1HB LYS 45 8.020 9.781 -3.485 359 2HB LYS 45 2HB LYS 45 8.160 10.327 -5.157 360 1HG LYS 45 1HG LYS 45 6.143 11.421 -5.116 361 2HG LYS 45 2HG LYS 45 5.419 10.263 -3.999 362 1HD LYS 45 1HD LYS 45 5.664 12.040 -2.553 363 2HD LYS 45 2HD LYS 45 7.252 11.301 -2.346 364 1HE LYS 45 1HE LYS 45 7.821 12.832 -4.463 365 2HE LYS 45 2HE LYS 45 6.497 13.793 -3.806 366 1HZ LYS 45 1HZ LYS 45 7.642 13.759 -1.648 367 2HZ LYS 45 2HZ LYS 45 8.943 12.935 -2.358 368 3HZ LYS 45 3HZ LYS 45 8.565 14.514 -2.857 369 H ARG 46 H ARG 46 9.126 7.693 -3.871 370 HA ARG 46 HA ARG 46 10.086 6.417 -6.360 371 1HB ARG 46 1HB ARG 46 11.221 8.622 -5.900 372 2HB ARG 46 2HB ARG 46 11.851 7.900 -4.417 373 1HG ARG 46 1HG ARG 46 13.230 6.420 -5.556 374 2HG ARG 46 2HG ARG 46 12.218 6.430 -7.001 375 1HD ARG 46 1HD ARG 46 14.095 7.693 -7.646 376 2HD ARG 46 2HD ARG 46 12.903 8.916 -7.218 377 HE ARG 46 HE ARG 46 14.261 9.542 -5.444 378 1HH1 ARG 46 1HH1 ARG 46 15.249 6.396 -6.620 379 2HH1 ARG 46 2HH1 ARG 46 16.662 6.342 -5.624 380 1HH2 ARG 46 1HH2 ARG 46 16.114 9.430 -4.162 381 2HH2 ARG 46 2HH2 ARG 46 17.149 8.044 -4.243 382 H GLY 47 H GLY 47 9.150 5.851 -3.245 383 1HA GLY 47 1HA GLY 47 9.642 4.279 -1.643 384 2HA GLY 47 2HA GLY 47 11.264 4.173 -2.314 385 H ARG 48 H ARG 48 8.324 2.613 -1.925 386 HA ARG 48 HA ARG 48 8.565 0.867 -4.249 387 1HB ARG 48 1HB ARG 48 9.571 0.149 -1.572 388 2HB ARG 48 2HB ARG 48 8.489 -1.047 -2.280 389 1HG ARG 48 1HG ARG 48 9.899 -0.852 -4.409 390 2HG ARG 48 2HG ARG 48 11.069 0.031 -3.428 391 1HD ARG 48 1HD ARG 48 11.795 -2.222 -3.334 392 2HD ARG 48 2HD ARG 48 10.963 -1.955 -1.806 393 HE ARG 48 HE ARG 48 9.169 -2.972 -3.785 394 1HH1 ARG 48 1HH1 ARG 48 11.748 -3.915 -1.614 395 2HH1 ARG 48 2HH1 ARG 48 11.200 -5.550 -1.490 396 1HH2 ARG 48 1HH2 ARG 48 8.487 -5.114 -3.594 397 2HH2 ARG 48 2HH2 ARG 48 9.369 -6.225 -2.600 398 H GLN 49 H GLN 49 7.009 -1.200 -3.555 399 HA GLN 49 HA GLN 49 4.426 0.087 -2.979 400 1HB GLN 49 1HB GLN 49 5.281 -2.248 -4.612 401 2HB GLN 49 2HB GLN 49 3.701 -2.343 -3.838 402 1HG GLN 49 1HG GLN 49 2.820 -0.653 -5.113 403 2HG GLN 49 2HG GLN 49 4.352 0.215 -5.208 404 2HE2 GLN 49 2HE2 GLN 49 6.033 -0.756 -6.711 405 1HE2 GLN 49 1HE2 GLN 49 5.496 -1.614 -8.074 406 H VAL 50 H VAL 50 3.133 -0.570 -1.314 407 HA VAL 50 HA VAL 50 3.994 -2.882 0.298 408 HB VAL 50 HB VAL 50 3.358 -0.154 1.456 409 1HG1 VAL 50 1HG1 VAL 50 4.210 -2.762 2.755 410 2HG1 VAL 50 2HG1 VAL 50 4.052 -1.218 3.591 411 3HG1 VAL 50 3HG1 VAL 50 2.627 -1.997 2.903 412 1HG2 VAL 50 1HG2 VAL 50 5.945 -1.691 1.123 413 2HG2 VAL 50 2HG2 VAL 50 5.560 -0.089 0.494 414 3HG2 VAL 50 3HG2 VAL 50 5.768 -0.328 2.228 415 H CYS 51 H CYS 51 2.356 -4.095 1.017 416 HA CYS 51 HA CYS 51 -0.339 -3.501 0.191 417 1HB CYS 51 1HB CYS 51 0.910 -5.723 1.809 418 2HB CYS 51 2HB CYS 51 -0.835 -5.602 1.580 419 H ALA 52 H ALA 52 -2.073 -2.878 1.471 420 HA ALA 52 HA ALA 52 -1.637 -2.513 4.342 421 1HB ALA 52 1HB ALA 52 -0.929 -0.410 2.971 422 2HB ALA 52 2HB ALA 52 -2.666 -0.162 2.792 423 3HB ALA 52 3HB ALA 52 -1.943 -0.208 4.399 424 H ASP 53 H ASP 53 -3.474 -2.586 5.535 425 HA ASP 53 HA ASP 53 -5.958 -3.192 4.068 426 1HB ASP 53 1HB ASP 53 -4.864 -3.972 6.738 427 2HB ASP 53 2HB ASP 53 -6.615 -3.868 6.551 428 H LYS 54 H LYS 54 -7.692 -1.898 4.197 429 HA LYS 54 HA LYS 54 -7.501 0.736 5.144 430 1HB LYS 54 1HB LYS 54 -9.971 0.819 4.835 431 2HB LYS 54 2HB LYS 54 -9.129 0.137 3.443 432 1HG LYS 54 1HG LYS 54 -9.558 -2.126 4.867 433 2HG LYS 54 2HG LYS 54 -10.954 -1.180 5.382 434 1HD LYS 54 1HD LYS 54 -10.203 -1.483 2.469 435 2HD LYS 54 2HD LYS 54 -11.277 -2.617 3.287 436 1HE LYS 54 1HE LYS 54 -12.774 -0.748 3.906 437 2HE LYS 54 2HE LYS 54 -11.708 0.376 3.063 438 1HZ LYS 54 1HZ LYS 54 -12.770 -1.972 1.645 439 2HZ LYS 54 2HZ LYS 54 -13.750 -0.602 1.846 440 3HZ LYS 54 3HZ LYS 54 -12.270 -0.473 1.020 441 H SER 55 H SER 55 -8.415 -2.210 6.765 442 HA SER 55 HA SER 55 -9.914 -1.206 8.905 443 1HB SER 55 1HB SER 55 -9.060 -3.681 8.192 444 2HB SER 55 2HB SER 55 -8.006 -3.359 9.564 445 HG SER 55 HG SER 55 -9.830 -4.171 10.445 446 H LYS 56 H LYS 56 -6.479 -1.108 8.278 447 HA LYS 56 HA LYS 56 -5.530 -0.585 10.877 448 1HB LYS 56 1HB LYS 56 -4.527 -0.079 8.115 449 2HB LYS 56 2HB LYS 56 -3.761 0.799 9.440 450 1HG LYS 56 1HG LYS 56 -2.547 -1.269 9.129 451 2HG LYS 56 2HG LYS 56 -3.468 -1.406 10.627 452 1HD LYS 56 1HD LYS 56 -5.156 -2.745 9.571 453 2HD LYS 56 2HD LYS 56 -4.500 -2.413 7.967 454 1HE LYS 56 1HE LYS 56 -2.800 -3.742 10.069 455 2HE LYS 56 2HE LYS 56 -3.920 -4.689 9.088 456 1HZ LYS 56 1HZ LYS 56 -2.858 -3.696 7.102 457 2HZ LYS 56 2HZ LYS 56 -1.699 -2.978 8.115 458 3HZ LYS 56 3HZ LYS 56 -1.806 -4.668 8.017 459 H ASP 57 H ASP 57 -4.313 1.723 11.123 460 HA ASP 57 HA ASP 57 -6.497 3.708 11.017 461 1HB ASP 57 1HB ASP 57 -5.226 4.860 12.839 462 2HB ASP 57 2HB ASP 57 -5.786 3.248 13.286 463 H TRP 58 H TRP 58 -3.012 3.289 10.517 464 HA TRP 58 HA TRP 58 -2.656 5.956 9.518 465 1HB TRP 58 1HB TRP 58 -0.409 5.176 8.815 466 2HB TRP 58 2HB TRP 58 -0.750 4.853 10.510 467 HD1 TRP 58 HD1 TRP 58 -1.128 2.323 11.239 468 HE1 TRP 58 HE1 TRP 58 -0.434 0.105 10.130 469 HE3 TRP 58 HE3 TRP 58 -0.116 3.976 6.524 470 HZ2 TRP 58 HZ2 TRP 58 0.438 -0.851 7.560 471 HZ3 TRP 58 HZ3 TRP 58 0.644 2.405 4.768 472 HH2 TRP 58 HH2 TRP 58 0.919 -0.003 5.280 473 H VAL 59 H VAL 59 -3.618 2.926 8.139 474 HA VAL 59 HA VAL 59 -3.006 3.602 5.412 475 HB VAL 59 HB VAL 59 -4.984 1.576 6.488 476 1HG1 VAL 59 1HG1 VAL 59 -4.097 2.367 3.796 477 2HG1 VAL 59 2HG1 VAL 59 -3.940 0.638 4.105 478 3HG1 VAL 59 3HG1 VAL 59 -5.506 1.429 4.284 479 1HG2 VAL 59 1HG2 VAL 59 -2.060 1.291 5.733 480 2HG2 VAL 59 2HG2 VAL 59 -2.713 1.214 7.369 481 3HG2 VAL 59 3HG2 VAL 59 -3.129 -0.034 6.194 482 H LYS 60 H LYS 60 -5.741 3.940 7.582 483 HA LYS 60 HA LYS 60 -7.682 4.681 5.651 484 1HB LYS 60 1HB LYS 60 -8.030 3.997 8.115 485 2HB LYS 60 2HB LYS 60 -7.663 5.680 8.493 486 1HG LYS 60 1HG LYS 60 -9.497 6.458 7.117 487 2HG LYS 60 2HG LYS 60 -9.797 4.827 6.517 488 1HD LYS 60 1HD LYS 60 -9.984 4.343 9.158 489 2HD LYS 60 2HD LYS 60 -10.488 6.034 9.149 490 1HE LYS 60 1HE LYS 60 -12.534 5.079 8.724 491 2HE LYS 60 2HE LYS 60 -11.942 5.159 7.065 492 1HZ LYS 60 1HZ LYS 60 -11.461 2.818 8.812 493 2HZ LYS 60 2HZ LYS 60 -12.838 2.948 7.826 494 3HZ LYS 60 3HZ LYS 60 -11.295 2.920 7.124 495 H LYS 61 H LYS 61 -5.470 6.571 7.684 496 HA LYS 61 HA LYS 61 -6.382 9.128 6.918 497 1HB LYS 61 1HB LYS 61 -4.658 8.360 8.775 498 2HB LYS 61 2HB LYS 61 -3.483 8.688 7.501 499 1HG LYS 61 1HG LYS 61 -4.540 10.954 7.207 500 2HG LYS 61 2HG LYS 61 -5.532 10.617 8.627 501 1HD LYS 61 1HD LYS 61 -3.414 10.219 9.926 502 2HD LYS 61 2HD LYS 61 -2.507 10.769 8.516 503 1HE LYS 61 1HE LYS 61 -2.741 12.696 9.896 504 2HE LYS 61 2HE LYS 61 -3.938 12.895 8.616 505 1HZ LYS 61 1HZ LYS 61 -4.622 11.591 11.176 506 2HZ LYS 61 2HZ LYS 61 -4.687 13.276 11.002 507 3HZ LYS 61 3HZ LYS 61 -5.664 12.285 10.028 508 H LEU 62 H LEU 62 -3.877 7.019 5.558 509 HA LEU 62 HA LEU 62 -2.936 8.841 3.604 510 1HB LEU 62 1HB LEU 62 -2.977 5.828 3.552 511 2HB LEU 62 2HB LEU 62 -2.081 6.841 2.444 512 HG LEU 62 HG LEU 62 -1.577 7.111 5.382 513 1HD1 LEU 62 1HD1 LEU 62 -0.748 4.848 3.571 514 2HD1 LEU 62 2HD1 LEU 62 0.256 5.333 4.937 515 3HD1 LEU 62 3HD1 LEU 62 -1.391 4.765 5.211 516 1HD2 LEU 62 1HD2 LEU 62 -0.230 7.688 2.784 517 2HD2 LEU 62 2HD2 LEU 62 -0.257 8.639 4.269 518 3HD2 LEU 62 3HD2 LEU 62 0.806 7.238 4.138 519 H MET 63 H MET 63 -5.389 6.293 3.517 520 HA MET 63 HA MET 63 -6.067 6.440 0.802 521 1HB MET 63 1HB MET 63 -7.629 5.669 3.252 522 2HB MET 63 2HB MET 63 -8.390 5.696 1.664 523 1HG MET 63 1HG MET 63 -6.350 4.283 0.900 524 2HG MET 63 2HG MET 63 -6.101 3.987 2.620 525 1HE MET 63 1HE MET 63 -6.931 2.749 -0.234 526 2HE MET 63 2HE MET 63 -8.089 1.432 -0.003 527 3HE MET 63 3HE MET 63 -8.649 3.025 -0.503 528 H GLN 64 H GLN 64 -7.102 8.394 3.538 529 HA GLN 64 HA GLN 64 -9.003 9.906 1.933 530 1HB GLN 64 1HB GLN 64 -8.976 9.354 4.565 531 2HB GLN 64 2HB GLN 64 -8.140 10.907 4.594 532 1HG GLN 64 1HG GLN 64 -10.284 11.716 4.655 533 2HG GLN 64 2HG GLN 64 -10.154 11.527 2.907 534 2HE2 GLN 64 2HE2 GLN 64 -12.301 10.944 5.292 535 1HE2 GLN 64 1HE2 GLN 64 -13.024 9.520 4.717 536 H GLN 65 H GLN 65 -5.737 10.210 3.164 537 HA GLN 65 HA GLN 65 -5.426 12.993 2.585 538 1HB GLN 65 1HB GLN 65 -3.599 10.740 3.306 539 2HB GLN 65 2HB GLN 65 -2.903 12.214 2.635 540 1HG GLN 65 1HG GLN 65 -4.935 12.665 4.734 541 2HG GLN 65 2HG GLN 65 -3.475 11.851 5.290 542 2HE2 GLN 65 2HE2 GLN 65 -2.036 13.370 6.100 543 1HE2 GLN 65 1HE2 GLN 65 -1.746 14.899 5.421 544 H LEU 66 H LEU 66 -4.898 10.000 0.827 545 HA LEU 66 HA LEU 66 -4.004 11.554 -1.524 546 1HB LEU 66 1HB LEU 66 -3.549 8.692 -0.739 547 2HB LEU 66 2HB LEU 66 -3.265 9.281 -2.362 548 HG LEU 66 HG LEU 66 -1.162 9.265 -1.291 549 1HD1 LEU 66 1HD1 LEU 66 -2.055 11.507 -2.409 550 2HD1 LEU 66 2HD1 LEU 66 -1.823 12.126 -0.774 551 3HD1 LEU 66 3HD1 LEU 66 -0.462 11.431 -1.654 552 1HD2 LEU 66 1HD2 LEU 66 -2.388 9.247 1.041 553 2HD2 LEU 66 2HD2 LEU 66 -0.740 9.862 0.919 554 3HD2 LEU 66 3HD2 LEU 66 -2.099 10.986 0.976 555 HA PRO 67 HA PRO 67 -7.806 10.334 -3.406 556 1HB PRO 67 1HB PRO 67 -7.149 10.604 -6.053 557 2HB PRO 67 2HB PRO 67 -7.462 11.969 -4.969 558 1HG PRO 67 1HG PRO 67 -4.885 10.973 -6.044 559 2HG PRO 67 2HG PRO 67 -5.336 12.603 -5.524 560 1HD PRO 67 1HD PRO 67 -3.801 10.742 -4.042 561 2HD PRO 67 2HD PRO 67 -4.514 12.248 -3.420 562 H VAL 68 H VAL 68 -5.644 9.135 -5.943 563 HA VAL 68 HA VAL 68 -5.558 6.422 -5.183 564 HB VAL 68 HB VAL 68 -7.975 7.290 -6.710 565 1HG1 VAL 68 1HG1 VAL 68 -6.758 6.040 -8.473 566 2HG1 VAL 68 2HG1 VAL 68 -6.579 4.675 -7.369 567 3HG1 VAL 68 3HG1 VAL 68 -8.183 5.160 -7.921 568 1HG2 VAL 68 1HG2 VAL 68 -7.196 5.399 -4.581 569 2HG2 VAL 68 2HG2 VAL 68 -8.686 6.317 -4.782 570 3HG2 VAL 68 3HG2 VAL 68 -8.458 4.807 -5.660 571 H THR 69 H THR 69 -4.665 5.078 -6.982 572 HA THR 69 HA THR 69 -2.541 6.378 -8.277 573 HB THR 69 HB THR 69 -2.471 3.986 -7.831 574 HG1 THR 69 HG1 THR 69 -1.250 3.843 -9.507 575 1HG2 THR 69 1HG2 THR 69 -4.777 3.885 -9.788 576 2HG2 THR 69 2HG2 THR 69 -3.858 2.461 -9.296 577 3HG2 THR 69 3HG2 THR 69 -4.781 3.373 -8.101 578 H ALA 70 H ALA 70 -2.229 6.020 -10.773 579 HA ALA 70 HA ALA 70 -3.892 7.848 -12.105 580 1HB ALA 70 1HB ALA 70 -2.655 7.370 -14.053 581 2HB ALA 70 2HB ALA 70 -2.323 5.715 -13.540 582 3HB ALA 70 3HB ALA 70 -1.521 7.065 -12.738 583 H ARG 71 H ARG 71 -3.812 4.295 -12.243 584 HA ARG 71 HA ARG 71 -6.642 4.276 -12.962 585 1HB ARG 71 1HB ARG 71 -4.858 4.198 -15.028 586 2HB ARG 71 2HB ARG 71 -5.032 2.480 -14.673 587 1HG ARG 71 1HG ARG 71 -7.383 4.353 -15.056 588 2HG ARG 71 2HG ARG 71 -6.697 3.374 -16.353 589 1HD ARG 71 1HD ARG 71 -8.225 1.836 -15.649 590 2HD ARG 71 2HD ARG 71 -7.004 1.478 -14.433 591 HE ARG 71 HE ARG 71 -8.632 3.570 -13.474 592 1HH1 ARG 71 1HH1 ARG 71 -8.831 0.161 -14.245 593 2HH1 ARG 71 2HH1 ARG 71 -10.080 -0.144 -13.087 594 1HH2 ARG 71 1HH2 ARG 71 -10.259 3.128 -11.976 595 2HH2 ARG 71 2HH2 ARG 71 -10.882 1.521 -11.812 No H/Q in entry = 595 Start of MODEL 10 1 H1 LEU 1 H1 LEU 1 -2.901 7.569 -22.833 2 H2 LEU 1 H2 LEU 1 -2.282 9.092 -22.416 3 H3 LEU 1 H3 LEU 1 -2.229 7.819 -21.293 4 HA LEU 1 HA LEU 1 -3.996 9.333 -20.710 5 1HB LEU 1 1HB LEU 1 -4.808 8.789 -23.571 6 2HB LEU 1 2HB LEU 1 -5.954 9.401 -22.375 7 HG LEU 1 HG LEU 1 -3.330 10.799 -22.567 8 1HD1 LEU 1 1HD1 LEU 1 -4.142 10.355 -24.948 9 2HD1 LEU 1 2HD1 LEU 1 -5.544 11.350 -24.555 10 3HD1 LEU 1 3HD1 LEU 1 -3.927 12.052 -24.515 11 1HD2 LEU 1 1HD2 LEU 1 -6.227 11.605 -22.175 12 2HD2 LEU 1 2HD2 LEU 1 -4.961 11.559 -20.948 13 3HD2 LEU 1 3HD2 LEU 1 -4.893 12.757 -22.242 14 H GLY 2 H GLY 2 -3.930 7.473 -19.312 15 1HA GLY 2 1HA GLY 2 -6.030 5.487 -19.963 16 2HA GLY 2 2HA GLY 2 -5.692 6.071 -18.337 17 H ALA 3 H ALA 3 -4.913 3.780 -20.758 18 HA ALA 3 HA ALA 3 -3.552 1.927 -20.785 19 1HB ALA 3 1HB ALA 3 -1.799 3.804 -20.731 20 2HB ALA 3 2HB ALA 3 -1.273 2.200 -20.217 21 3HB ALA 3 3HB ALA 3 -1.637 3.438 -19.013 22 H SER 4 H SER 4 -4.395 0.272 -19.702 23 HA SER 4 HA SER 4 -3.571 -0.288 -17.014 24 1HB SER 4 1HB SER 4 -6.025 -0.480 -16.215 25 2HB SER 4 2HB SER 4 -5.281 1.116 -16.232 26 HG SER 4 HG SER 4 -7.027 1.531 -17.372 27 H TRP 5 H TRP 5 -4.754 -2.313 -16.198 28 HA TRP 5 HA TRP 5 -5.229 -4.104 -18.508 29 1HB TRP 5 1HB TRP 5 -3.523 -4.362 -16.140 30 2HB TRP 5 2HB TRP 5 -4.595 -5.744 -16.351 31 HD1 TRP 5 HD1 TRP 5 -1.276 -5.000 -17.144 32 HE1 TRP 5 HE1 TRP 5 -0.481 -6.054 -19.358 33 HE3 TRP 5 HE3 TRP 5 -5.789 -6.105 -19.262 34 HZ2 TRP 5 HZ2 TRP 5 -1.611 -7.214 -21.718 35 HZ3 TRP 5 HZ3 TRP 5 -5.901 -7.184 -21.492 36 HH2 TRP 5 HH2 TRP 5 -3.820 -7.738 -22.721 37 H HIS 6 H HIS 6 -6.256 -6.276 -17.329 38 HA HIS 6 HA HIS 6 -8.626 -5.339 -15.834 39 1HB HIS 6 1HB HIS 6 -8.664 -7.343 -18.102 40 2HB HIS 6 2HB HIS 6 -10.054 -6.801 -17.161 41 HD1 HIS 6 HD1 HIS 6 -10.979 -4.435 -17.639 42 HD2 HIS 6 HD2 HIS 6 -7.671 -5.422 -19.976 43 HE1 HIS 6 HE1 HIS 6 -10.823 -2.664 -19.443 44 H ARG 7 H ARG 7 -9.096 -6.505 -14.096 45 HA ARG 7 HA ARG 7 -8.715 -7.983 -12.363 46 1HB ARG 7 1HB ARG 7 -9.280 -10.339 -12.984 47 2HB ARG 7 2HB ARG 7 -10.453 -9.152 -13.545 48 1HG ARG 7 1HG ARG 7 -9.558 -9.223 -15.786 49 2HG ARG 7 2HG ARG 7 -8.199 -10.217 -15.266 50 1HD ARG 7 1HD ARG 7 -10.926 -11.251 -14.679 51 2HD ARG 7 2HD ARG 7 -10.413 -11.271 -16.363 52 HE ARG 7 HE ARG 7 -8.443 -12.373 -14.562 53 1HH1 ARG 7 1HH1 ARG 7 -11.327 -13.055 -16.424 54 2HH1 ARG 7 2HH1 ARG 7 -10.993 -14.748 -16.534 55 1HH2 ARG 7 1HH2 ARG 7 -8.045 -14.586 -14.729 56 2HH2 ARG 7 2HH2 ARG 7 -9.152 -15.610 -15.583 57 HA PRO 8 HA PRO 8 -4.374 -9.197 -13.584 58 1HB PRO 8 1HB PRO 8 -3.013 -7.317 -12.147 59 2HB PRO 8 2HB PRO 8 -3.546 -7.079 -13.818 60 1HG PRO 8 1HG PRO 8 -4.622 -5.915 -11.321 61 2HG PRO 8 2HG PRO 8 -4.693 -5.295 -12.976 62 1HD PRO 8 1HD PRO 8 -6.784 -6.611 -11.566 63 2HD PRO 8 2HD PRO 8 -6.766 -6.190 -13.294 64 H ASP 9 H ASP 9 -4.449 -11.078 -12.368 65 HA ASP 9 HA ASP 9 -4.799 -11.222 -9.568 66 1HB ASP 9 1HB ASP 9 -4.888 -13.100 -11.399 67 2HB ASP 9 2HB ASP 9 -3.168 -13.261 -11.043 68 H LYS 10 H LYS 10 -3.505 -10.264 -8.144 69 HA LYS 10 HA LYS 10 -0.746 -10.995 -7.929 70 1HB LYS 10 1HB LYS 10 -0.870 -9.142 -9.764 71 2HB LYS 10 2HB LYS 10 -1.129 -8.055 -8.399 72 1HG LYS 10 1HG LYS 10 0.957 -9.452 -7.431 73 2HG LYS 10 2HG LYS 10 1.301 -9.600 -9.155 74 1HD LYS 10 1HD LYS 10 1.714 -7.358 -9.407 75 2HD LYS 10 2HD LYS 10 0.528 -6.896 -8.184 76 1HE LYS 10 1HE LYS 10 2.031 -7.074 -6.461 77 2HE LYS 10 2HE LYS 10 2.903 -8.406 -7.220 78 1HZ LYS 10 1HZ LYS 10 3.563 -6.587 -8.923 79 2HZ LYS 10 2HZ LYS 10 3.177 -5.513 -7.664 80 3HZ LYS 10 3HZ LYS 10 4.383 -6.684 -7.437 81 H CYS 11 H CYS 11 -3.141 -10.997 -6.322 82 HA CYS 11 HA CYS 11 -3.195 -8.906 -4.426 83 1HB CYS 11 1HB CYS 11 -3.923 -11.809 -3.974 84 2HB CYS 11 2HB CYS 11 -4.459 -10.430 -3.015 85 H CYS 12 H CYS 12 -2.892 -9.800 -1.956 86 HA CYS 12 HA CYS 12 -0.307 -11.118 -1.647 87 1HB CYS 12 1HB CYS 12 0.569 -9.248 -0.232 88 2HB CYS 12 2HB CYS 12 0.414 -8.827 -1.937 89 H LEU 13 H LEU 13 0.033 -11.946 0.412 90 HA LEU 13 HA LEU 13 -2.390 -12.132 2.053 91 1HB LEU 13 1HB LEU 13 0.219 -13.643 2.154 92 2HB LEU 13 2HB LEU 13 -1.120 -13.909 3.248 93 HG LEU 13 HG LEU 13 -1.150 -15.626 1.561 94 1HD1 LEU 13 1HD1 LEU 13 -3.340 -14.714 2.265 95 2HD1 LEU 13 2HD1 LEU 13 -3.268 -13.542 0.948 96 3HD1 LEU 13 3HD1 LEU 13 -3.382 -15.265 0.590 97 1HD2 LEU 13 1HD2 LEU 13 0.132 -14.110 -0.100 98 2HD2 LEU 13 2HD2 LEU 13 -1.067 -15.216 -0.770 99 3HD2 LEU 13 3HD2 LEU 13 -1.457 -13.507 -0.569 100 H GLY 14 H GLY 14 0.905 -10.944 2.159 101 1HA GLY 14 1HA GLY 14 2.121 -10.061 3.979 102 2HA GLY 14 2HA GLY 14 0.695 -10.253 4.996 103 H TYR 15 H TYR 15 1.719 -7.976 5.468 104 HA TYR 15 HA TYR 15 0.796 -5.923 3.600 105 1HB TYR 15 1HB TYR 15 -0.304 -6.252 6.399 106 2HB TYR 15 2HB TYR 15 -0.441 -4.760 5.470 107 HD1 TYR 15 HD1 TYR 15 -1.442 -8.314 5.646 108 HD2 TYR 15 HD2 TYR 15 -1.909 -4.594 3.553 109 HE1 TYR 15 HE1 TYR 15 -3.408 -9.236 4.449 110 HE2 TYR 15 HE2 TYR 15 -3.874 -5.513 2.355 111 HH TYR 15 HH TYR 15 -5.588 -8.007 3.281 112 H GLN 16 H GLN 16 1.127 -3.678 4.920 113 HA GLN 16 HA GLN 16 3.899 -3.351 5.180 114 1HB GLN 16 1HB GLN 16 2.318 -1.489 4.708 115 2HB GLN 16 2HB GLN 16 1.730 -1.598 6.364 116 1HG GLN 16 1HG GLN 16 3.419 0.194 6.127 117 2HG GLN 16 2HG GLN 16 3.978 -1.075 7.213 118 2HE2 GLN 16 2HE2 GLN 16 5.610 -2.612 6.349 119 1HE2 GLN 16 1HE2 GLN 16 6.580 -2.166 5.030 120 H LYS 17 H LYS 17 1.396 -3.826 7.625 121 HA LYS 17 HA LYS 17 1.504 -4.464 9.828 122 1HB LYS 17 1HB LYS 17 3.261 -6.087 8.649 123 2HB LYS 17 2HB LYS 17 4.391 -5.176 9.650 124 1HG LYS 17 1HG LYS 17 2.669 -5.617 11.564 125 2HG LYS 17 2HG LYS 17 2.081 -6.902 10.508 126 1HD LYS 17 1HD LYS 17 4.723 -7.408 10.362 127 2HD LYS 17 2HD LYS 17 4.663 -6.685 11.970 128 1HE LYS 17 1HE LYS 17 4.170 -8.845 12.571 129 2HE LYS 17 2HE LYS 17 2.536 -8.323 12.165 130 1HZ LYS 17 1HZ LYS 17 4.384 -9.560 10.205 131 2HZ LYS 17 2HZ LYS 17 3.259 -10.450 11.114 132 3HZ LYS 17 3HZ LYS 17 2.720 -9.270 10.021 133 H ARG 18 H ARG 18 2.584 -1.754 8.805 134 HA ARG 18 HA ARG 18 3.196 -0.696 11.366 135 1HB ARG 18 1HB ARG 18 5.493 0.101 10.904 136 2HB ARG 18 2HB ARG 18 5.408 -1.658 10.976 137 1HG ARG 18 1HG ARG 18 5.449 -1.834 8.574 138 2HG ARG 18 2HG ARG 18 5.258 -0.091 8.389 139 1HD ARG 18 1HD ARG 18 7.441 0.356 9.090 140 2HD ARG 18 2HD ARG 18 7.586 -1.176 9.943 141 HE ARG 18 HE ARG 18 8.273 -0.703 7.222 142 1HH1 ARG 18 1HH1 ARG 18 6.811 -3.097 9.317 143 2HH1 ARG 18 2HH1 ARG 18 7.268 -4.424 8.307 144 1HH2 ARG 18 1HH2 ARG 18 8.850 -2.463 5.935 145 2HH2 ARG 18 2HH2 ARG 18 8.413 -4.071 6.409 146 HA PRO 19 HA PRO 19 1.792 2.782 9.017 147 1HB PRO 19 1HB PRO 19 2.123 4.737 10.894 148 2HB PRO 19 2HB PRO 19 0.836 3.526 10.948 149 1HG PRO 19 1HG PRO 19 3.253 3.755 12.617 150 2HG PRO 19 2HG PRO 19 1.727 2.925 12.952 151 1HD PRO 19 1HD PRO 19 4.192 1.738 12.106 152 2HD PRO 19 2HD PRO 19 2.622 0.930 12.323 153 H LEU 20 H LEU 20 2.696 3.970 7.463 154 HA LEU 20 HA LEU 20 5.444 4.992 7.867 155 1HB LEU 20 1HB LEU 20 4.340 4.969 5.130 156 2HB LEU 20 2HB LEU 20 5.941 4.557 5.699 157 HG LEU 20 HG LEU 20 3.488 2.787 5.685 158 1HD1 LEU 20 1HD1 LEU 20 5.227 3.310 3.666 159 2HD1 LEU 20 2HD1 LEU 20 6.077 1.989 4.470 160 3HD1 LEU 20 3HD1 LEU 20 4.433 1.750 3.879 161 1HD2 LEU 20 1HD2 LEU 20 6.086 2.606 7.146 162 2HD2 LEU 20 2HD2 LEU 20 4.494 2.009 7.610 163 3HD2 LEU 20 3HD2 LEU 20 5.454 1.126 6.426 164 HA PRO 21 HA PRO 21 3.822 9.083 7.389 165 1HB PRO 21 1HB PRO 21 6.007 10.406 6.408 166 2HB PRO 21 2HB PRO 21 5.868 9.842 8.083 167 1HG PRO 21 1HG PRO 21 7.512 8.762 5.876 168 2HG PRO 21 2HG PRO 21 7.753 8.642 7.624 169 1HD PRO 21 1HD PRO 21 6.701 6.626 5.904 170 2HD PRO 21 2HD PRO 21 6.761 6.587 7.682 171 H GLN 22 H GLN 22 2.685 10.270 5.915 172 HA GLN 22 HA GLN 22 2.584 9.399 3.182 173 1HB GLN 22 1HB GLN 22 0.656 10.341 4.590 174 2HB GLN 22 2HB GLN 22 1.343 11.929 4.249 175 1HG GLN 22 1HG GLN 22 1.035 10.148 1.898 176 2HG GLN 22 2HG GLN 22 -0.469 10.700 2.633 177 2HE2 GLN 22 2HE2 GLN 22 -0.197 13.251 3.297 178 1HE2 GLN 22 1HE2 GLN 22 0.381 14.214 2.025 179 H VAL 23 H VAL 23 4.690 11.485 4.791 180 HA VAL 23 HA VAL 23 5.019 13.638 3.074 181 HB VAL 23 HB VAL 23 6.107 13.437 5.281 182 1HG1 VAL 23 1HG1 VAL 23 6.764 10.944 4.669 183 2HG1 VAL 23 2HG1 VAL 23 8.239 11.709 4.084 184 3HG1 VAL 23 3HG1 VAL 23 7.761 11.891 5.771 185 1HG2 VAL 23 1HG2 VAL 23 7.014 14.862 3.295 186 2HG2 VAL 23 2HG2 VAL 23 8.042 14.627 4.707 187 3HG2 VAL 23 3HG2 VAL 23 8.314 13.671 3.250 188 H LEU 24 H LEU 24 6.302 10.373 2.841 189 HA LEU 24 HA LEU 24 7.667 11.058 0.334 190 1HB LEU 24 1HB LEU 24 9.049 9.300 0.692 191 2HB LEU 24 2HB LEU 24 8.565 9.555 2.350 192 HG LEU 24 HG LEU 24 7.309 7.498 0.509 193 1HD1 LEU 24 1HD1 LEU 24 9.493 7.257 2.585 194 2HD1 LEU 24 2HD1 LEU 24 8.621 5.880 1.912 195 3HD1 LEU 24 3HD1 LEU 24 9.611 6.895 0.862 196 1HD2 LEU 24 1HD2 LEU 24 6.726 8.493 3.204 197 2HD2 LEU 24 2HD2 LEU 24 5.739 7.489 2.145 198 3HD2 LEU 24 3HD2 LEU 24 6.963 6.748 3.167 199 H LEU 25 H LEU 25 4.992 9.245 1.631 200 HA LEU 25 HA LEU 25 4.415 7.571 -0.514 201 1HB LEU 25 1HB LEU 25 3.291 7.935 1.881 202 2HB LEU 25 2HB LEU 25 2.132 8.807 0.904 203 HG LEU 25 HG LEU 25 1.625 6.821 -0.377 204 1HD1 LEU 25 1HD1 LEU 25 4.099 5.829 0.959 205 2HD1 LEU 25 2HD1 LEU 25 2.818 4.654 0.667 206 3HD1 LEU 25 3HD1 LEU 25 3.519 5.547 -0.682 207 1HD2 LEU 25 1HD2 LEU 25 1.587 6.737 2.602 208 2HD2 LEU 25 2HD2 LEU 25 0.244 6.695 1.458 209 3HD2 LEU 25 3HD2 LEU 25 1.193 5.239 1.758 210 H SER 26 H SER 26 3.179 7.697 -2.307 211 HA SER 26 HA SER 26 2.627 10.433 -3.281 212 1HB SER 26 1HB SER 26 4.164 8.598 -4.487 213 2HB SER 26 2HB SER 26 2.605 8.125 -5.154 214 HG SER 26 HG SER 26 2.597 9.884 -6.306 215 H SER 27 H SER 27 1.330 7.169 -3.953 216 HA SER 27 HA SER 27 -1.374 8.084 -3.321 217 1HB SER 27 1HB SER 27 -1.149 6.772 -5.967 218 2HB SER 27 2HB SER 27 -2.267 8.014 -5.418 219 HG SER 27 HG SER 27 -0.849 8.966 -6.837 220 H TRP 28 H TRP 28 -2.797 6.009 -4.437 221 HA TRP 28 HA TRP 28 -1.553 3.480 -3.681 222 1HB TRP 28 1HB TRP 28 -3.453 2.938 -2.120 223 2HB TRP 28 2HB TRP 28 -2.357 4.178 -1.514 224 HD1 TRP 28 HD1 TRP 28 -3.209 6.705 -1.537 225 HE1 TRP 28 HE1 TRP 28 -5.581 7.715 -1.579 226 HE3 TRP 28 HE3 TRP 28 -5.894 2.600 -2.981 227 HZ2 TRP 28 HZ2 TRP 28 -8.258 6.888 -2.156 228 HZ3 TRP 28 HZ3 TRP 28 -8.347 2.745 -3.271 229 HH2 TRP 28 HH2 TRP 28 -9.533 4.881 -2.858 230 H TYR 29 H TYR 29 -2.503 1.735 -4.684 231 HA TYR 29 HA TYR 29 -4.944 2.310 -6.247 232 1HB TYR 29 1HB TYR 29 -4.117 1.083 -8.127 233 2HB TYR 29 2HB TYR 29 -2.868 2.234 -7.671 234 HD1 TYR 29 HD1 TYR 29 -0.891 1.405 -6.266 235 HD2 TYR 29 HD2 TYR 29 -3.702 -1.244 -8.148 236 HE1 TYR 29 HE1 TYR 29 0.727 -0.461 -6.063 237 HE2 TYR 29 HE2 TYR 29 -2.082 -3.109 -7.942 238 HH TYR 29 HH TYR 29 0.900 -2.926 -7.646 239 HA PRO 30 HA PRO 30 -6.386 -1.357 -4.197 240 1HB PRO 30 1HB PRO 30 -8.730 -1.684 -5.559 241 2HB PRO 30 2HB PRO 30 -8.476 -0.441 -4.326 242 1HG PRO 30 1HG PRO 30 -8.660 -0.160 -7.263 243 2HG PRO 30 2HG PRO 30 -8.984 1.029 -5.993 244 1HD PRO 30 1HD PRO 30 -6.639 0.848 -7.603 245 2HD PRO 30 2HD PRO 30 -6.892 1.911 -6.199 246 H THR 31 H THR 31 -6.432 -3.576 -4.449 247 HA THR 31 HA THR 31 -5.629 -4.590 -7.098 248 HB THR 31 HB THR 31 -4.084 -5.163 -5.330 249 HG1 THR 31 HG1 THR 31 -5.547 -7.538 -5.640 250 1HG2 THR 31 1HG2 THR 31 -6.608 -5.830 -3.889 251 2HG2 THR 31 2HG2 THR 31 -5.180 -6.797 -3.523 252 3HG2 THR 31 3HG2 THR 31 -5.145 -5.049 -3.290 253 H SER 32 H SER 32 -6.360 -6.983 -7.376 254 HA SER 32 HA SER 32 -9.165 -6.977 -7.740 255 1HB SER 32 1HB SER 32 -7.751 -9.588 -7.594 256 2HB SER 32 2HB SER 32 -8.877 -8.982 -8.805 257 HG SER 32 HG SER 32 -7.210 -7.634 -9.571 258 H GLN 33 H GLN 33 -10.813 -7.672 -6.502 259 HA GLN 33 HA GLN 33 -10.172 -8.584 -3.790 260 1HB GLN 33 1HB GLN 33 -12.583 -8.080 -3.359 261 2HB GLN 33 2HB GLN 33 -11.647 -6.680 -3.868 262 1HG GLN 33 1HG GLN 33 -12.737 -6.515 -5.874 263 2HG GLN 33 2HG GLN 33 -12.913 -8.262 -6.038 264 2HE2 GLN 33 2HE2 GLN 33 -14.299 -5.404 -4.406 265 1HE2 GLN 33 1HE2 GLN 33 -15.803 -6.120 -4.081 266 H LEU 34 H LEU 34 -10.053 -10.347 -6.187 267 HA LEU 34 HA LEU 34 -12.119 -12.307 -5.384 268 1HB LEU 34 1HB LEU 34 -10.731 -12.243 -8.054 269 2HB LEU 34 2HB LEU 34 -12.132 -13.183 -7.596 270 HG LEU 34 HG LEU 34 -12.933 -11.456 -9.004 271 1HD1 LEU 34 1HD1 LEU 34 -14.028 -11.792 -6.639 272 2HD1 LEU 34 2HD1 LEU 34 -13.410 -10.169 -6.332 273 3HD1 LEU 34 3HD1 LEU 34 -14.545 -10.447 -7.653 274 1HD2 LEU 34 1HD2 LEU 34 -10.722 -10.091 -8.492 275 2HD2 LEU 34 2HD2 LEU 34 -12.180 -9.257 -9.032 276 3HD2 LEU 34 3HD2 LEU 34 -11.755 -9.273 -7.320 277 H CYS 35 H CYS 35 -9.608 -11.969 -4.078 278 HA CYS 35 HA CYS 35 -8.094 -14.342 -4.969 279 1HB CYS 35 1HB CYS 35 -7.330 -11.916 -3.363 280 2HB CYS 35 2HB CYS 35 -6.362 -13.389 -3.305 281 H SER 36 H SER 36 -8.512 -12.766 -1.818 282 HA SER 36 HA SER 36 -10.020 -14.844 -0.623 283 1HB SER 36 1HB SER 36 -7.582 -15.819 -1.027 284 2HB SER 36 2HB SER 36 -7.233 -14.914 0.443 285 HG SER 36 HG SER 36 -8.057 -17.193 0.596 286 H LYS 37 H LYS 37 -7.522 -12.395 -0.124 287 HA LYS 37 HA LYS 37 -9.189 -10.894 1.657 288 1HB LYS 37 1HB LYS 37 -7.719 -11.064 3.653 289 2HB LYS 37 2HB LYS 37 -8.512 -12.592 3.268 290 1HG LYS 37 1HG LYS 37 -6.555 -13.617 2.682 291 2HG LYS 37 2HG LYS 37 -5.880 -12.150 1.973 292 1HD LYS 37 1HD LYS 37 -5.305 -11.270 4.134 293 2HD LYS 37 2HD LYS 37 -6.213 -12.539 4.956 294 1HE LYS 37 1HE LYS 37 -3.784 -13.007 3.203 295 2HE LYS 37 2HE LYS 37 -3.764 -12.982 4.966 296 1HZ LYS 37 1HZ LYS 37 -5.546 -14.754 4.811 297 2HZ LYS 37 2HZ LYS 37 -5.112 -14.911 3.176 298 3HZ LYS 37 3HZ LYS 37 -3.968 -15.221 4.390 299 HA PRO 38 HA PRO 38 -5.592 -8.686 -0.335 300 1HB PRO 38 1HB PRO 38 -6.970 -7.310 -2.249 301 2HB PRO 38 2HB PRO 38 -6.290 -8.926 -2.499 302 1HG PRO 38 1HG PRO 38 -9.110 -8.112 -2.153 303 2HG PRO 38 2HG PRO 38 -8.439 -9.542 -2.949 304 1HD PRO 38 1HD PRO 38 -9.589 -9.420 -0.342 305 2HD PRO 38 2HD PRO 38 -8.746 -10.802 -1.077 306 H GLY 39 H GLY 39 -5.827 -6.120 -1.122 307 1HA GLY 39 1HA GLY 39 -5.951 -4.567 1.126 308 2HA GLY 39 2HA GLY 39 -7.607 -4.558 0.520 309 H VAL 40 H VAL 40 -4.608 -3.078 0.340 310 HA VAL 40 HA VAL 40 -4.877 -2.140 -2.408 311 HB VAL 40 HB VAL 40 -4.955 -0.148 -0.131 312 1HG1 VAL 40 1HG1 VAL 40 -4.013 0.216 -2.637 313 2HG1 VAL 40 2HG1 VAL 40 -5.726 0.521 -2.916 314 3HG1 VAL 40 3HG1 VAL 40 -4.841 1.478 -1.729 315 1HG2 VAL 40 1HG2 VAL 40 -7.142 -1.225 -1.925 316 2HG2 VAL 40 2HG2 VAL 40 -7.090 -1.256 -0.163 317 3HG2 VAL 40 3HG2 VAL 40 -7.294 0.275 -1.013 318 H ILE 41 H ILE 41 -2.984 -1.524 -3.270 319 HA ILE 41 HA ILE 41 -0.612 -1.725 -1.551 320 HB ILE 41 HB ILE 41 -1.021 -1.917 -4.540 321 1HG1 ILE 41 1HG1 ILE 41 0.151 -4.142 -4.043 322 2HG1 ILE 41 2HG1 ILE 41 -0.127 -3.777 -2.339 323 1HG2 ILE 41 1HG2 ILE 41 1.072 -0.648 -4.118 324 2HG2 ILE 41 2HG2 ILE 41 1.618 -1.929 -3.035 325 3HG2 ILE 41 3HG2 ILE 41 1.412 -2.257 -4.755 326 1HD1 ILE 41 1HD1 ILE 41 -2.402 -3.630 -4.303 327 2HD1 ILE 41 2HD1 ILE 41 -1.911 -5.184 -3.630 328 3HD1 ILE 41 3HD1 ILE 41 -2.457 -3.893 -2.560 329 H PHE 42 H PHE 42 0.568 0.004 -1.043 330 HA PHE 42 HA PHE 42 -0.257 2.611 -2.096 331 1HB PHE 42 1HB PHE 42 1.285 1.682 0.298 332 2HB PHE 42 2HB PHE 42 1.532 3.326 -0.293 333 HD1 PHE 42 HD1 PHE 42 -1.002 0.928 0.974 334 HD2 PHE 42 HD2 PHE 42 -0.145 5.015 -0.033 335 HE1 PHE 42 HE1 PHE 42 -3.110 1.642 2.069 336 HE2 PHE 42 HE2 PHE 42 -2.251 5.728 1.062 337 HZ PHE 42 HZ PHE 42 -3.733 4.042 2.115 338 H LEU 43 H LEU 43 0.884 3.704 -3.552 339 HA LEU 43 HA LEU 43 3.559 2.691 -4.285 340 1HB LEU 43 1HB LEU 43 1.849 4.622 -5.839 341 2HB LEU 43 2HB LEU 43 3.264 3.760 -6.400 342 HG LEU 43 HG LEU 43 0.744 2.322 -5.573 343 1HD1 LEU 43 1HD1 LEU 43 0.507 4.109 -7.464 344 2HD1 LEU 43 2HD1 LEU 43 1.451 2.972 -8.427 345 3HD1 LEU 43 3HD1 LEU 43 -0.105 2.481 -7.755 346 1HD2 LEU 43 1HD2 LEU 43 3.343 1.661 -6.871 347 2HD2 LEU 43 2HD2 LEU 43 2.340 0.683 -5.800 348 3HD2 LEU 43 3HD2 LEU 43 1.913 0.845 -7.504 349 H THR 44 H THR 44 4.966 3.733 -2.929 350 HA THR 44 HA THR 44 4.669 6.406 -2.048 351 HB THR 44 HB THR 44 7.068 6.232 -1.425 352 HG1 THR 44 HG1 THR 44 7.493 4.829 -3.348 353 1HG2 THR 44 1HG2 THR 44 5.006 4.225 -0.724 354 2HG2 THR 44 2HG2 THR 44 6.656 3.841 -0.237 355 3HG2 THR 44 3HG2 THR 44 5.900 5.336 0.314 356 H LYS 45 H LYS 45 6.295 8.153 -2.563 357 HA LYS 45 HA LYS 45 6.080 8.896 -5.271 358 1HB LYS 45 1HB LYS 45 7.724 9.920 -2.971 359 2HB LYS 45 2HB LYS 45 7.940 10.578 -4.593 360 1HG LYS 45 1HG LYS 45 5.836 11.529 -4.642 361 2HG LYS 45 2HG LYS 45 5.149 10.316 -3.563 362 1HD LYS 45 1HD LYS 45 5.280 11.953 -1.990 363 2HD LYS 45 2HD LYS 45 6.985 11.508 -1.915 364 1HE LYS 45 1HE LYS 45 7.249 13.189 -3.903 365 2HE LYS 45 2HE LYS 45 5.701 13.822 -3.345 366 1HZ LYS 45 1HZ LYS 45 8.128 13.496 -1.665 367 2HZ LYS 45 2HZ LYS 45 7.571 14.964 -2.312 368 3HZ LYS 45 3HZ LYS 45 6.644 14.137 -1.154 369 H ARG 46 H ARG 46 8.966 7.889 -3.433 370 HA ARG 46 HA ARG 46 10.125 6.909 -5.972 371 1HB ARG 46 1HB ARG 46 11.151 9.070 -5.182 372 2HB ARG 46 2HB ARG 46 11.706 8.199 -3.752 373 1HG ARG 46 1HG ARG 46 13.188 6.870 -4.967 374 2HG ARG 46 2HG ARG 46 12.296 7.080 -6.475 375 1HD ARG 46 1HD ARG 46 12.971 9.641 -6.034 376 2HD ARG 46 2HD ARG 46 14.309 8.863 -5.197 377 HE ARG 46 HE ARG 46 14.224 7.567 -7.597 378 1HH1 ARG 46 1HH1 ARG 46 14.355 10.939 -6.669 379 2HH1 ARG 46 2HH1 ARG 46 15.218 11.414 -8.091 380 1HH2 ARG 46 1HH2 ARG 46 15.349 8.228 -9.437 381 2HH2 ARG 46 2HH2 ARG 46 15.777 9.894 -9.646 382 H GLY 47 H GLY 47 9.040 5.981 -2.971 383 1HA GLY 47 1HA GLY 47 9.540 4.260 -1.520 384 2HA GLY 47 2HA GLY 47 11.155 4.197 -2.214 385 H ARG 48 H ARG 48 8.249 2.610 -1.914 386 HA ARG 48 HA ARG 48 8.352 1.170 -4.446 387 1HB ARG 48 1HB ARG 48 9.500 0.107 -1.939 388 2HB ARG 48 2HB ARG 48 8.405 -0.992 -2.775 389 1HG ARG 48 1HG ARG 48 9.694 -0.815 -4.821 390 2HG ARG 48 2HG ARG 48 10.717 0.439 -4.116 391 1HD ARG 48 1HD ARG 48 11.792 -1.813 -4.089 392 2HD ARG 48 2HD ARG 48 11.595 -1.126 -2.479 393 HE ARG 48 HE ARG 48 9.376 -2.794 -3.223 394 1HH1 ARG 48 1HH1 ARG 48 12.656 -2.829 -1.999 395 2HH1 ARG 48 2HH1 ARG 48 12.458 -4.344 -1.190 396 1HH2 ARG 48 1HH2 ARG 48 9.162 -4.768 -2.153 397 2HH2 ARG 48 2HH2 ARG 48 10.498 -5.434 -1.275 398 H GLN 49 H GLN 49 6.835 -0.965 -3.963 399 HA GLN 49 HA GLN 49 4.241 0.176 -3.383 400 1HB GLN 49 1HB GLN 49 5.160 -2.567 -4.260 401 2HB GLN 49 2HB GLN 49 3.474 -2.175 -3.939 402 1HG GLN 49 1HG GLN 49 3.447 -1.604 -6.150 403 2HG GLN 49 2HG GLN 49 4.155 -0.100 -5.563 404 2HE2 GLN 49 2HE2 GLN 49 5.740 0.419 -7.095 405 1HE2 GLN 49 1HE2 GLN 49 6.945 -0.651 -7.628 406 H VAL 50 H VAL 50 2.744 -0.782 -1.843 407 HA VAL 50 HA VAL 50 3.859 -2.478 0.253 408 HB VAL 50 HB VAL 50 2.812 0.287 0.910 409 1HG1 VAL 50 1HG1 VAL 50 2.415 -1.643 2.554 410 2HG1 VAL 50 2HG1 VAL 50 4.167 -1.703 2.741 411 3HG1 VAL 50 3HG1 VAL 50 3.282 -0.245 3.186 412 1HG2 VAL 50 1HG2 VAL 50 5.609 -0.876 0.914 413 2HG2 VAL 50 2HG2 VAL 50 5.026 0.491 -0.035 414 3HG2 VAL 50 3HG2 VAL 50 5.177 0.634 1.717 415 H CYS 51 H CYS 51 2.349 -3.945 0.629 416 HA CYS 51 HA CYS 51 -0.419 -3.545 -0.070 417 1HB CYS 51 1HB CYS 51 1.231 -5.765 1.033 418 2HB CYS 51 2HB CYS 51 -0.488 -5.794 1.420 419 H ALA 52 H ALA 52 -1.819 -2.443 1.161 420 HA ALA 52 HA ALA 52 -1.504 -2.601 4.099 421 1HB ALA 52 1HB ALA 52 -0.674 -0.412 3.210 422 2HB ALA 52 2HB ALA 52 -2.297 -0.102 2.594 423 3HB ALA 52 3HB ALA 52 -2.027 -0.260 4.330 424 H ASP 53 H ASP 53 -3.289 -3.102 5.172 425 HA ASP 53 HA ASP 53 -5.765 -3.515 3.704 426 1HB ASP 53 1HB ASP 53 -4.711 -4.264 6.388 427 2HB ASP 53 2HB ASP 53 -6.460 -4.116 6.221 428 H LYS 54 H LYS 54 -7.404 -2.123 3.628 429 HA LYS 54 HA LYS 54 -7.257 0.484 4.659 430 1HB LYS 54 1HB LYS 54 -9.765 -1.030 3.892 431 2HB LYS 54 2HB LYS 54 -9.585 0.721 3.984 432 1HG LYS 54 1HG LYS 54 -8.457 0.845 2.002 433 2HG LYS 54 2HG LYS 54 -7.600 -0.672 2.277 434 1HD LYS 54 1HD LYS 54 -10.549 -0.808 1.816 435 2HD LYS 54 2HD LYS 54 -9.514 -0.476 0.426 436 1HE LYS 54 1HE LYS 54 -8.448 -2.536 0.553 437 2HE LYS 54 2HE LYS 54 -8.762 -2.708 2.280 438 1HZ LYS 54 1HZ LYS 54 -11.106 -3.038 1.778 439 2HZ LYS 54 2HZ LYS 54 -10.789 -2.898 0.117 440 3HZ LYS 54 3HZ LYS 54 -10.146 -4.202 0.997 441 H SER 55 H SER 55 -8.451 -2.475 6.069 442 HA SER 55 HA SER 55 -10.156 -1.507 8.053 443 1HB SER 55 1HB SER 55 -9.228 -3.973 7.384 444 2HB SER 55 2HB SER 55 -8.365 -3.693 8.892 445 HG SER 55 HG SER 55 -10.273 -4.477 9.549 446 H LYS 56 H LYS 56 -6.680 -1.370 7.822 447 HA LYS 56 HA LYS 56 -6.018 -0.961 10.526 448 1HB LYS 56 1HB LYS 56 -4.676 0.249 8.096 449 2HB LYS 56 2HB LYS 56 -3.964 0.063 9.700 450 1HG LYS 56 1HG LYS 56 -5.084 -2.395 8.452 451 2HG LYS 56 2HG LYS 56 -3.603 -1.752 7.741 452 1HD LYS 56 1HD LYS 56 -2.857 -3.235 9.437 453 2HD LYS 56 2HD LYS 56 -2.704 -1.628 10.150 454 1HE LYS 56 1HE LYS 56 -4.567 -1.915 11.529 455 2HE LYS 56 2HE LYS 56 -5.259 -3.170 10.500 456 1HZ LYS 56 1HZ LYS 56 -2.786 -3.463 12.118 457 2HZ LYS 56 2HZ LYS 56 -4.314 -4.067 12.552 458 3HZ LYS 56 3HZ LYS 56 -3.517 -4.671 11.178 459 H ASP 57 H ASP 57 -4.825 1.375 10.929 460 HA ASP 57 HA ASP 57 -7.039 3.325 10.745 461 1HB ASP 57 1HB ASP 57 -4.889 2.871 12.799 462 2HB ASP 57 2HB ASP 57 -5.701 4.431 12.672 463 H TRP 58 H TRP 58 -3.479 3.118 10.723 464 HA TRP 58 HA TRP 58 -3.097 5.781 9.819 465 1HB TRP 58 1HB TRP 58 -0.791 5.079 9.290 466 2HB TRP 58 2HB TRP 58 -1.281 4.586 10.907 467 HD1 TRP 58 HD1 TRP 58 -1.748 1.988 11.321 468 HE1 TRP 58 HE1 TRP 58 -0.917 -0.105 10.067 469 HE3 TRP 58 HE3 TRP 58 -0.211 4.127 6.954 470 HZ2 TRP 58 HZ2 TRP 58 0.249 -0.785 7.529 471 HZ3 TRP 58 HZ3 TRP 58 0.758 2.745 5.143 472 HH2 TRP 58 HH2 TRP 58 0.987 0.297 5.425 473 H VAL 59 H VAL 59 -3.769 2.780 8.177 474 HA VAL 59 HA VAL 59 -2.988 3.668 5.566 475 HB VAL 59 HB VAL 59 -4.938 1.479 6.327 476 1HG1 VAL 59 1HG1 VAL 59 -3.730 2.441 3.786 477 2HG1 VAL 59 2HG1 VAL 59 -3.757 0.693 4.019 478 3HG1 VAL 59 3HG1 VAL 59 -5.261 1.611 4.059 479 1HG2 VAL 59 1HG2 VAL 59 -1.946 1.411 5.818 480 2HG2 VAL 59 2HG2 VAL 59 -2.732 1.165 7.377 481 3HG2 VAL 59 3HG2 VAL 59 -2.966 -0.004 6.077 482 H LYS 60 H LYS 60 -5.901 3.802 7.507 483 HA LYS 60 HA LYS 60 -7.703 4.577 5.452 484 1HB LYS 60 1HB LYS 60 -8.226 3.778 7.858 485 2HB LYS 60 2HB LYS 60 -7.957 5.459 8.320 486 1HG LYS 60 1HG LYS 60 -9.599 6.020 6.381 487 2HG LYS 60 2HG LYS 60 -10.071 4.325 6.496 488 1HD LYS 60 1HD LYS 60 -10.676 4.591 8.831 489 2HD LYS 60 2HD LYS 60 -10.052 6.242 8.844 490 1HE LYS 60 1HE LYS 60 -12.349 6.587 8.542 491 2HE LYS 60 2HE LYS 60 -11.744 6.625 6.886 492 1HZ LYS 60 1HZ LYS 60 -12.644 4.100 8.117 493 2HZ LYS 60 2HZ LYS 60 -13.757 5.162 7.405 494 3HZ LYS 60 3HZ LYS 60 -12.507 4.491 6.470 495 H LYS 61 H LYS 61 -5.662 6.384 7.711 496 HA LYS 61 HA LYS 61 -6.555 8.977 7.056 497 1HB LYS 61 1HB LYS 61 -4.099 7.840 8.310 498 2HB LYS 61 2HB LYS 61 -4.034 9.507 7.737 499 1HG LYS 61 1HG LYS 61 -6.398 9.613 8.997 500 2HG LYS 61 2HG LYS 61 -5.653 8.325 9.942 501 1HD LYS 61 1HD LYS 61 -4.311 10.984 9.387 502 2HD LYS 61 2HD LYS 61 -5.236 10.642 10.850 503 1HE LYS 61 1HE LYS 61 -2.883 8.975 9.923 504 2HE LYS 61 2HE LYS 61 -2.755 10.279 11.104 505 1HZ LYS 61 1HZ LYS 61 -4.668 9.006 12.260 506 2HZ LYS 61 2HZ LYS 61 -4.119 7.685 11.343 507 3HZ LYS 61 3HZ LYS 61 -3.071 8.452 12.434 508 H LEU 62 H LEU 62 -3.938 6.991 5.703 509 HA LEU 62 HA LEU 62 -2.910 8.896 3.898 510 1HB LEU 62 1HB LEU 62 -3.041 5.897 3.633 511 2HB LEU 62 2HB LEU 62 -2.082 6.950 2.618 512 HG LEU 62 HG LEU 62 -1.658 7.003 5.582 513 1HD1 LEU 62 1HD1 LEU 62 -1.090 4.766 3.705 514 2HD1 LEU 62 2HD1 LEU 62 0.218 5.229 4.793 515 3HD1 LEU 62 3HD1 LEU 62 -1.342 4.738 5.449 516 1HD2 LEU 62 1HD2 LEU 62 -0.239 7.763 3.079 517 2HD2 LEU 62 2HD2 LEU 62 -0.247 8.560 4.652 518 3HD2 LEU 62 3HD2 LEU 62 0.766 7.141 4.387 519 H MET 63 H MET 63 -5.433 6.454 3.562 520 HA MET 63 HA MET 63 -6.058 6.688 0.868 521 1HB MET 63 1HB MET 63 -7.783 6.130 3.274 522 2HB MET 63 2HB MET 63 -8.451 6.154 1.642 523 1HG MET 63 1HG MET 63 -6.317 4.587 1.186 524 2HG MET 63 2HG MET 63 -6.563 4.215 2.890 525 1HE MET 63 1HE MET 63 -7.048 3.635 -0.408 526 2HE MET 63 2HE MET 63 -7.249 1.965 0.113 527 3HE MET 63 3HE MET 63 -8.560 2.795 -0.736 528 H GLN 64 H GLN 64 -7.025 8.738 3.564 529 HA GLN 64 HA GLN 64 -8.728 10.405 1.903 530 1HB GLN 64 1HB GLN 64 -7.770 10.756 4.755 531 2HB GLN 64 2HB GLN 64 -8.955 11.785 3.951 532 1HG GLN 64 1HG GLN 64 -10.417 9.824 3.594 533 2HG GLN 64 2HG GLN 64 -9.237 8.802 4.418 534 2HE2 GLN 64 2HE2 GLN 64 -11.900 10.954 4.902 535 1HE2 GLN 64 1HE2 GLN 64 -11.824 11.010 6.596 536 H GLN 65 H GLN 65 -5.462 10.426 3.170 537 HA GLN 65 HA GLN 65 -4.896 13.166 2.595 538 1HB GLN 65 1HB GLN 65 -3.293 10.759 3.326 539 2HB GLN 65 2HB GLN 65 -2.452 12.144 2.635 540 1HG GLN 65 1HG GLN 65 -4.419 12.838 4.726 541 2HG GLN 65 2HG GLN 65 -3.061 11.870 5.296 542 2HE2 GLN 65 2HE2 GLN 65 -3.982 15.010 4.005 543 1HE2 GLN 65 1HE2 GLN 65 -2.459 15.738 4.186 544 H LEU 66 H LEU 66 -4.522 10.132 0.836 545 HA LEU 66 HA LEU 66 -3.545 11.648 -1.507 546 1HB LEU 66 1HB LEU 66 -3.457 8.665 -1.250 547 2HB LEU 66 2HB LEU 66 -2.501 9.704 -2.284 548 HG LEU 66 HG LEU 66 -2.222 9.704 0.723 549 1HD1 LEU 66 1HD1 LEU 66 -1.163 7.843 -1.347 550 2HD1 LEU 66 2HD1 LEU 66 -0.028 8.392 -0.115 551 3HD1 LEU 66 3HD1 LEU 66 -1.503 7.551 0.358 552 1HD2 LEU 66 1HD2 LEU 66 -0.859 10.964 -1.609 553 2HD2 LEU 66 2HD2 LEU 66 -1.102 11.589 0.023 554 3HD2 LEU 66 3HD2 LEU 66 0.173 10.411 -0.289 555 HA PRO 67 HA PRO 67 -7.432 10.679 -3.381 556 1HB PRO 67 1HB PRO 67 -6.786 11.054 -6.017 557 2HB PRO 67 2HB PRO 67 -7.041 12.375 -4.867 558 1HG PRO 67 1HG PRO 67 -4.508 11.336 -6.005 559 2HG PRO 67 2HG PRO 67 -4.900 12.960 -5.419 560 1HD PRO 67 1HD PRO 67 -3.415 11.003 -4.022 561 2HD PRO 67 2HD PRO 67 -4.093 12.495 -3.331 562 H VAL 68 H VAL 68 -5.348 9.525 -6.014 563 HA VAL 68 HA VAL 68 -5.193 6.832 -5.403 564 HB VAL 68 HB VAL 68 -7.875 7.440 -5.790 565 1HG1 VAL 68 1HG1 VAL 68 -7.254 7.650 -8.309 566 2HG1 VAL 68 2HG1 VAL 68 -7.134 5.891 -8.258 567 3HG1 VAL 68 3HG1 VAL 68 -8.659 6.683 -7.858 568 1HG2 VAL 68 1HG2 VAL 68 -6.695 5.429 -4.758 569 2HG2 VAL 68 2HG2 VAL 68 -8.209 5.099 -5.600 570 3HG2 VAL 68 3HG2 VAL 68 -6.669 4.739 -6.380 571 H THR 69 H THR 69 -4.380 5.556 -7.158 572 HA THR 69 HA THR 69 -2.792 7.056 -8.977 573 HB THR 69 HB THR 69 -2.086 4.890 -9.830 574 HG1 THR 69 HG1 THR 69 -4.218 3.893 -8.255 575 1HG2 THR 69 1HG2 THR 69 -2.445 5.173 -6.857 576 2HG2 THR 69 2HG2 THR 69 -1.613 3.775 -7.537 577 3HG2 THR 69 3HG2 THR 69 -0.983 5.397 -7.816 578 H ALA 70 H ALA 70 -2.774 6.343 -11.377 579 HA ALA 70 HA ALA 70 -5.213 5.625 -12.646 580 1HB ALA 70 1HB ALA 70 -4.620 8.483 -13.232 581 2HB ALA 70 2HB ALA 70 -5.471 8.126 -11.730 582 3HB ALA 70 3HB ALA 70 -6.157 7.619 -13.274 583 H ARG 71 H ARG 71 -2.668 8.033 -13.324 584 HA ARG 71 HA ARG 71 -2.159 6.791 -15.911 585 1HB ARG 71 1HB ARG 71 -0.922 9.209 -14.571 586 2HB ARG 71 2HB ARG 71 -0.555 8.668 -16.209 587 1HG ARG 71 1HG ARG 71 -2.830 9.031 -16.920 588 2HG ARG 71 2HG ARG 71 -3.353 9.340 -15.264 589 1HD ARG 71 1HD ARG 71 -2.383 11.441 -15.201 590 2HD ARG 71 2HD ARG 71 -1.159 11.026 -16.397 591 HE ARG 71 HE ARG 71 -2.634 11.689 -18.064 592 1HH1 ARG 71 1HH1 ARG 71 -4.370 11.273 -15.053 593 2HH1 ARG 71 2HH1 ARG 71 -5.838 11.944 -15.676 594 1HH2 ARG 71 1HH2 ARG 71 -4.568 12.557 -18.835 595 2HH2 ARG 71 2HH2 ARG 71 -5.951 12.665 -17.799 No H/Q in entry = 595 Start of MODEL 11 1 H1 LEU 1 H1 LEU 1 -9.160 -28.130 -6.598 2 H2 LEU 1 H2 LEU 1 -10.403 -29.250 -6.880 3 H3 LEU 1 H3 LEU 1 -9.367 -29.449 -5.546 4 HA LEU 1 HA LEU 1 -7.540 -30.007 -6.893 5 1HB LEU 1 1HB LEU 1 -10.152 -31.298 -7.639 6 2HB LEU 1 2HB LEU 1 -8.662 -31.809 -8.433 7 HG LEU 1 HG LEU 1 -8.811 -31.608 -5.430 8 1HD1 LEU 1 1HD1 LEU 1 -10.003 -33.665 -7.231 9 2HD1 LEU 1 2HD1 LEU 1 -9.139 -34.244 -5.807 10 3HD1 LEU 1 3HD1 LEU 1 -10.510 -33.150 -5.621 11 1HD2 LEU 1 1HD2 LEU 1 -7.087 -32.984 -7.487 12 2HD2 LEU 1 2HD2 LEU 1 -6.595 -31.914 -6.173 13 3HD2 LEU 1 3HD2 LEU 1 -7.128 -33.557 -5.819 14 H GLY 2 H GLY 2 -10.333 -29.046 -8.875 15 1HA GLY 2 1HA GLY 2 -9.126 -28.974 -11.382 16 2HA GLY 2 2HA GLY 2 -8.777 -27.425 -10.621 17 H ALA 3 H ALA 3 -10.306 -25.877 -10.642 18 HA ALA 3 HA ALA 3 -12.587 -26.119 -12.288 19 1HB ALA 3 1HB ALA 3 -13.578 -27.436 -10.518 20 2HB ALA 3 2HB ALA 3 -13.123 -26.233 -9.311 21 3HB ALA 3 3HB ALA 3 -14.345 -25.848 -10.523 22 H SER 4 H SER 4 -12.043 -24.170 -13.137 23 HA SER 4 HA SER 4 -11.904 -21.884 -13.335 24 1HB SER 4 1HB SER 4 -13.286 -21.650 -10.670 25 2HB SER 4 2HB SER 4 -13.369 -20.559 -12.051 26 HG SER 4 HG SER 4 -15.123 -22.265 -11.569 27 H TRP 5 H TRP 5 -9.833 -21.279 -13.168 28 HA TRP 5 HA TRP 5 -8.836 -20.559 -10.492 29 1HB TRP 5 1HB TRP 5 -6.584 -21.449 -11.126 30 2HB TRP 5 2HB TRP 5 -7.806 -22.704 -10.924 31 HD1 TRP 5 HD1 TRP 5 -8.848 -23.774 -13.175 32 HE1 TRP 5 HE1 TRP 5 -7.835 -24.033 -15.532 33 HE3 TRP 5 HE3 TRP 5 -5.016 -20.412 -12.866 34 HZ2 TRP 5 HZ2 TRP 5 -5.684 -22.957 -17.081 35 HZ3 TRP 5 HZ3 TRP 5 -3.503 -20.049 -14.793 36 HH2 TRP 5 HH2 TRP 5 -3.831 -21.316 -16.900 37 H HIS 6 H HIS 6 -9.940 -18.986 -12.666 38 HA HIS 6 HA HIS 6 -7.560 -17.340 -13.285 39 1HB HIS 6 1HB HIS 6 -8.791 -18.636 -15.237 40 2HB HIS 6 2HB HIS 6 -9.933 -17.298 -15.104 41 HD1 HIS 6 HD1 HIS 6 -6.512 -18.149 -16.265 42 HD2 HIS 6 HD2 HIS 6 -8.758 -14.694 -15.634 43 HE1 HIS 6 HE1 HIS 6 -5.272 -16.267 -17.420 44 H ARG 7 H ARG 7 -8.072 -16.186 -11.332 45 HA ARG 7 HA ARG 7 -9.432 -13.795 -11.705 46 1HB ARG 7 1HB ARG 7 -11.202 -15.987 -10.870 47 2HB ARG 7 2HB ARG 7 -11.269 -14.592 -9.796 48 1HG ARG 7 1HG ARG 7 -12.228 -13.254 -11.375 49 2HG ARG 7 2HG ARG 7 -11.276 -13.949 -12.687 50 1HD ARG 7 1HD ARG 7 -12.716 -15.858 -12.837 51 2HD ARG 7 2HD ARG 7 -13.533 -15.440 -11.335 52 HE ARG 7 HE ARG 7 -14.854 -13.948 -12.525 53 1HH1 ARG 7 1HH1 ARG 7 -12.081 -14.862 -14.456 54 2HH1 ARG 7 2HH1 ARG 7 -12.669 -14.074 -15.879 55 1HH2 ARG 7 1HH2 ARG 7 -15.584 -12.933 -14.403 56 2HH2 ARG 7 2HH2 ARG 7 -14.635 -12.991 -15.851 57 HA PRO 8 HA PRO 8 -8.325 -14.169 -7.101 58 1HB PRO 8 1HB PRO 8 -7.779 -16.617 -6.020 59 2HB PRO 8 2HB PRO 8 -9.405 -15.922 -6.107 60 1HG PRO 8 1HG PRO 8 -8.214 -18.115 -7.696 61 2HG PRO 8 2HG PRO 8 -9.910 -17.797 -7.304 62 1HD PRO 8 1HD PRO 8 -8.610 -17.240 -9.765 63 2HD PRO 8 2HD PRO 8 -10.233 -16.705 -9.276 64 H ASP 9 H ASP 9 -6.401 -13.207 -7.963 65 HA ASP 9 HA ASP 9 -3.979 -14.424 -7.115 66 1HB ASP 9 1HB ASP 9 -2.893 -14.594 -9.362 67 2HB ASP 9 2HB ASP 9 -4.168 -15.787 -9.106 68 H LYS 10 H LYS 10 -2.045 -13.140 -8.182 69 HA LYS 10 HA LYS 10 -0.970 -11.119 -8.364 70 1HB LYS 10 1HB LYS 10 -2.619 -11.004 -10.357 71 2HB LYS 10 2HB LYS 10 -3.538 -9.894 -9.339 72 1HG LYS 10 1HG LYS 10 -0.979 -8.918 -9.058 73 2HG LYS 10 2HG LYS 10 -0.970 -9.478 -10.731 74 1HD LYS 10 1HD LYS 10 -3.386 -8.225 -10.647 75 2HD LYS 10 2HD LYS 10 -2.479 -7.248 -9.491 76 1HE LYS 10 1HE LYS 10 -0.919 -6.566 -11.088 77 2HE LYS 10 2HE LYS 10 -1.231 -7.954 -12.132 78 1HZ LYS 10 1HZ LYS 10 -3.206 -5.802 -11.610 79 2HZ LYS 10 2HZ LYS 10 -2.169 -5.826 -12.955 80 3HZ LYS 10 3HZ LYS 10 -3.325 -7.051 -12.755 81 H CYS 11 H CYS 11 -2.667 -11.812 -5.935 82 HA CYS 11 HA CYS 11 -3.345 -9.120 -4.978 83 1HB CYS 11 1HB CYS 11 -3.786 -11.846 -3.737 84 2HB CYS 11 2HB CYS 11 -4.293 -10.315 -3.020 85 H CYS 12 H CYS 12 -2.845 -9.103 -2.396 86 HA CYS 12 HA CYS 12 0.076 -9.121 -2.285 87 1HB CYS 12 1HB CYS 12 -2.097 -7.802 -0.712 88 2HB CYS 12 2HB CYS 12 -0.517 -8.031 0.038 89 H LEU 13 H LEU 13 -2.700 -10.529 -0.614 90 HA LEU 13 HA LEU 13 -2.870 -12.311 0.838 91 1HB LEU 13 1HB LEU 13 -1.191 -13.143 -1.081 92 2HB LEU 13 2HB LEU 13 -0.108 -13.225 0.290 93 HG LEU 13 HG LEU 13 -2.802 -14.512 0.513 94 1HD1 LEU 13 1HD1 LEU 13 -1.415 -15.078 -1.708 95 2HD1 LEU 13 2HD1 LEU 13 -0.540 -16.119 -0.584 96 3HD1 LEU 13 3HD1 LEU 13 -2.277 -16.326 -0.808 97 1HD2 LEU 13 1HD2 LEU 13 -0.034 -14.847 1.648 98 2HD2 LEU 13 2HD2 LEU 13 -1.567 -14.663 2.502 99 3HD2 LEU 13 3HD2 LEU 13 -1.179 -16.187 1.707 100 H GLY 14 H GLY 14 -1.362 -9.724 1.529 101 1HA GLY 14 1HA GLY 14 0.695 -10.186 3.358 102 2HA GLY 14 2HA GLY 14 -0.826 -10.308 4.242 103 H TYR 15 H TYR 15 0.851 -8.318 4.987 104 HA TYR 15 HA TYR 15 0.193 -5.875 3.546 105 1HB TYR 15 1HB TYR 15 -0.817 -6.348 6.358 106 2HB TYR 15 2HB TYR 15 -0.860 -4.803 5.508 107 HD1 TYR 15 HD1 TYR 15 -2.263 -4.513 3.490 108 HD2 TYR 15 HD2 TYR 15 -2.349 -8.130 5.801 109 HE1 TYR 15 HE1 TYR 15 -4.376 -5.171 2.375 110 HE2 TYR 15 HE2 TYR 15 -4.464 -8.792 4.685 111 HH TYR 15 HH TYR 15 -6.438 -6.845 3.191 112 H GLN 16 H GLN 16 1.110 -3.939 4.677 113 HA GLN 16 HA GLN 16 3.853 -4.322 5.195 114 1HB GLN 16 1HB GLN 16 2.322 -2.136 4.626 115 2HB GLN 16 2HB GLN 16 2.634 -1.878 6.338 116 1HG GLN 16 1HG GLN 16 4.726 -2.344 4.186 117 2HG GLN 16 2HG GLN 16 4.391 -0.818 4.997 118 2HE2 GLN 16 2HE2 GLN 16 5.334 -0.470 7.068 119 1HE2 GLN 16 1HE2 GLN 16 6.340 -1.605 7.829 120 H LYS 17 H LYS 17 1.109 -3.767 7.339 121 HA LYS 17 HA LYS 17 0.773 -4.491 9.517 122 1HB LYS 17 1HB LYS 17 2.842 -6.093 9.025 123 2HB LYS 17 2HB LYS 17 3.658 -4.957 10.099 124 1HG LYS 17 1HG LYS 17 1.409 -5.323 11.523 125 2HG LYS 17 2HG LYS 17 1.459 -6.877 10.690 126 1HD LYS 17 1HD LYS 17 3.817 -7.170 11.457 127 2HD LYS 17 2HD LYS 17 3.672 -5.670 12.375 128 1HE LYS 17 1HE LYS 17 1.491 -6.901 13.312 129 2HE LYS 17 2HE LYS 17 2.425 -8.334 12.884 130 1HZ LYS 17 1HZ LYS 17 4.299 -7.341 14.157 131 2HZ LYS 17 2HZ LYS 17 3.235 -6.133 14.701 132 3HZ LYS 17 3HZ LYS 17 2.960 -7.759 15.108 133 H ARG 18 H ARG 18 3.735 -2.620 8.910 134 HA ARG 18 HA ARG 18 3.152 -0.994 11.289 135 1HB ARG 18 1HB ARG 18 5.571 -0.834 9.479 136 2HB ARG 18 2HB ARG 18 5.380 -0.109 11.074 137 1HG ARG 18 1HG ARG 18 5.190 -3.094 10.626 138 2HG ARG 18 2HG ARG 18 6.718 -2.288 10.989 139 1HD ARG 18 1HD ARG 18 4.290 -1.862 12.720 140 2HD ARG 18 2HD ARG 18 5.347 -3.247 12.971 141 HE ARG 18 HE ARG 18 7.073 -1.132 12.926 142 1HH1 ARG 18 1HH1 ARG 18 4.148 -1.834 14.716 143 2HH1 ARG 18 2HH1 ARG 18 4.638 -0.916 16.098 144 1HH2 ARG 18 1HH2 ARG 18 7.673 0.054 14.748 145 2HH2 ARG 18 2HH2 ARG 18 6.616 0.145 16.118 146 HA PRO 19 HA PRO 19 1.703 2.298 8.742 147 1HB PRO 19 1HB PRO 19 2.174 4.442 10.367 148 2HB PRO 19 2HB PRO 19 0.897 3.251 10.649 149 1HG PRO 19 1HG PRO 19 3.435 3.641 12.094 150 2HG PRO 19 2HG PRO 19 1.942 2.859 12.631 151 1HD PRO 19 1HD PRO 19 4.338 1.578 11.725 152 2HD PRO 19 2HD PRO 19 2.794 0.803 12.149 153 H LEU 20 H LEU 20 2.355 3.634 7.136 154 HA LEU 20 HA LEU 20 5.225 4.308 7.011 155 1HB LEU 20 1HB LEU 20 3.408 4.662 4.679 156 2HB LEU 20 2HB LEU 20 5.104 4.239 4.714 157 HG LEU 20 HG LEU 20 3.037 2.281 5.679 158 1HD1 LEU 20 1HD1 LEU 20 2.722 3.347 3.239 159 2HD1 LEU 20 2HD1 LEU 20 3.977 2.171 2.852 160 3HD1 LEU 20 3HD1 LEU 20 2.450 1.633 3.550 161 1HD2 LEU 20 1HD2 LEU 20 5.908 2.321 4.974 162 2HD2 LEU 20 2HD2 LEU 20 5.031 1.246 6.063 163 3HD2 LEU 20 3HD2 LEU 20 5.018 0.945 4.326 164 HA PRO 21 HA PRO 21 4.076 8.586 7.391 165 1HB PRO 21 1HB PRO 21 6.411 9.734 6.558 166 2HB PRO 21 2HB PRO 21 6.213 8.942 8.130 167 1HG PRO 21 1HG PRO 21 7.681 8.014 5.741 168 2HG PRO 21 2HG PRO 21 7.903 7.576 7.440 169 1HD PRO 21 1HD PRO 21 6.564 6.046 5.429 170 2HD PRO 21 2HD PRO 21 6.653 5.689 7.170 171 H GLN 22 H GLN 22 2.941 9.957 6.122 172 HA GLN 22 HA GLN 22 2.799 9.611 3.292 173 1HB GLN 22 1HB GLN 22 0.958 10.476 4.840 174 2HB GLN 22 2HB GLN 22 1.802 12.023 4.803 175 1HG GLN 22 1HG GLN 22 1.333 10.731 2.169 176 2HG GLN 22 2HG GLN 22 -0.098 11.340 2.999 177 2HE2 GLN 22 2HE2 GLN 22 1.417 12.414 0.563 178 1HE2 GLN 22 1HE2 GLN 22 1.747 14.032 0.958 179 H VAL 23 H VAL 23 5.001 11.309 5.256 180 HA VAL 23 HA VAL 23 5.576 13.639 3.900 181 HB VAL 23 HB VAL 23 6.611 12.960 6.037 182 1HG1 VAL 23 1HG1 VAL 23 7.102 10.572 4.880 183 2HG1 VAL 23 2HG1 VAL 23 8.675 11.335 4.645 184 3HG1 VAL 23 3HG1 VAL 23 8.012 11.164 6.270 185 1HG2 VAL 23 1HG2 VAL 23 7.649 14.713 4.575 186 2HG2 VAL 23 2HG2 VAL 23 8.815 13.877 5.600 187 3HG2 VAL 23 3HG2 VAL 23 8.690 13.465 3.890 188 H LEU 24 H LEU 24 6.183 10.362 2.879 189 HA LEU 24 HA LEU 24 7.473 11.444 0.454 190 1HB LEU 24 1HB LEU 24 9.133 9.824 0.407 191 2HB LEU 24 2HB LEU 24 9.089 10.350 2.071 192 HG LEU 24 HG LEU 24 9.358 8.038 2.230 193 1HD1 LEU 24 1HD1 LEU 24 7.373 8.905 3.538 194 2HD1 LEU 24 2HD1 LEU 24 6.342 8.273 2.255 195 3HD1 LEU 24 3HD1 LEU 24 7.343 7.174 3.203 196 1HD2 LEU 24 1HD2 LEU 24 8.564 7.925 -0.346 197 2HD2 LEU 24 2HD2 LEU 24 8.683 6.494 0.678 198 3HD2 LEU 24 3HD2 LEU 24 7.120 7.271 0.429 199 H LEU 25 H LEU 25 4.803 9.858 1.558 200 HA LEU 25 HA LEU 25 4.599 7.760 -0.383 201 1HB LEU 25 1HB LEU 25 3.280 8.282 1.892 202 2HB LEU 25 2HB LEU 25 2.158 9.001 0.760 203 HG LEU 25 HG LEU 25 1.830 6.877 -0.350 204 1HD1 LEU 25 1HD1 LEU 25 4.277 6.174 1.178 205 2HD1 LEU 25 2HD1 LEU 25 3.060 4.904 1.052 206 3HD1 LEU 25 3HD1 LEU 25 3.741 5.619 -0.407 207 1HD2 LEU 25 1HD2 LEU 25 1.600 7.074 2.616 208 2HD2 LEU 25 2HD2 LEU 25 0.335 6.882 1.401 209 3HD2 LEU 25 3HD2 LEU 25 1.306 5.493 1.891 210 H SER 26 H SER 26 2.652 7.775 -1.928 211 HA SER 26 HA SER 26 2.389 10.428 -3.206 212 1HB SER 26 1HB SER 26 3.996 8.546 -4.274 213 2HB SER 26 2HB SER 26 2.464 8.065 -4.996 214 HG SER 26 HG SER 26 2.235 10.188 -5.762 215 H SER 27 H SER 27 1.193 7.113 -3.799 216 HA SER 27 HA SER 27 -1.548 7.965 -3.253 217 1HB SER 27 1HB SER 27 -1.217 6.621 -5.872 218 2HB SER 27 2HB SER 27 -2.393 7.826 -5.366 219 HG SER 27 HG SER 27 -1.078 8.967 -6.635 220 H TRP 28 H TRP 28 -2.926 5.876 -4.279 221 HA TRP 28 HA TRP 28 -1.623 3.376 -3.501 222 1HB TRP 28 1HB TRP 28 -3.561 2.806 -1.984 223 2HB TRP 28 2HB TRP 28 -2.481 4.048 -1.358 224 HD1 TRP 28 HD1 TRP 28 -3.351 6.563 -1.343 225 HE1 TRP 28 HE1 TRP 28 -5.723 7.567 -1.445 226 HE3 TRP 28 HE3 TRP 28 -5.969 2.472 -2.942 227 HZ2 TRP 28 HZ2 TRP 28 -8.379 6.736 -2.137 228 HZ3 TRP 28 HZ3 TRP 28 -8.411 2.611 -3.314 229 HH2 TRP 28 HH2 TRP 28 -9.620 4.735 -2.908 230 H TYR 29 H TYR 29 -2.418 1.659 -4.607 231 HA TYR 29 HA TYR 29 -4.868 2.135 -6.197 232 1HB TYR 29 1HB TYR 29 -3.954 0.889 -8.036 233 2HB TYR 29 2HB TYR 29 -2.780 2.119 -7.582 234 HD1 TYR 29 HD1 TYR 29 -0.814 1.421 -6.068 235 HD2 TYR 29 HD2 TYR 29 -3.387 -1.398 -8.041 236 HE1 TYR 29 HE1 TYR 29 0.903 -0.344 -5.790 237 HE2 TYR 29 HE2 TYR 29 -1.669 -3.164 -7.760 238 HH TYR 29 HH TYR 29 1.031 -3.067 -7.468 239 HA PRO 30 HA PRO 30 -6.288 -1.553 -4.194 240 1HB PRO 30 1HB PRO 30 -8.515 -2.020 -5.706 241 2HB PRO 30 2HB PRO 30 -8.403 -0.737 -4.491 242 1HG PRO 30 1HG PRO 30 -8.384 -0.533 -7.440 243 2HG PRO 30 2HG PRO 30 -8.859 0.667 -6.230 244 1HD PRO 30 1HD PRO 30 -6.399 0.575 -7.659 245 2HD PRO 30 2HD PRO 30 -6.799 1.642 -6.292 246 H THR 31 H THR 31 -6.150 -3.758 -4.372 247 HA THR 31 HA THR 31 -5.127 -4.812 -6.923 248 HB THR 31 HB THR 31 -3.719 -5.247 -4.989 249 HG1 THR 31 HG1 THR 31 -3.391 -7.179 -5.695 250 1HG2 THR 31 1HG2 THR 31 -6.328 -6.080 -3.804 251 2HG2 THR 31 2HG2 THR 31 -4.875 -6.933 -3.281 252 3HG2 THR 31 3HG2 THR 31 -4.996 -5.186 -3.071 253 H SER 32 H SER 32 -5.719 -7.315 -7.059 254 HA SER 32 HA SER 32 -8.433 -7.466 -7.792 255 1HB SER 32 1HB SER 32 -7.788 -10.085 -7.484 256 2HB SER 32 2HB SER 32 -7.334 -9.126 -8.890 257 HG SER 32 HG SER 32 -5.421 -9.834 -8.242 258 H GLN 33 H GLN 33 -10.245 -8.055 -6.744 259 HA GLN 33 HA GLN 33 -9.998 -8.649 -3.865 260 1HB GLN 33 1HB GLN 33 -11.409 -6.673 -4.864 261 2HB GLN 33 2HB GLN 33 -12.595 -7.940 -5.178 262 1HG GLN 33 1HG GLN 33 -12.839 -8.453 -2.896 263 2HG GLN 33 2HG GLN 33 -11.308 -7.687 -2.466 264 2HE2 GLN 33 2HE2 GLN 33 -14.466 -7.205 -1.954 265 1HE2 GLN 33 1HE2 GLN 33 -14.550 -5.511 -2.024 266 H LEU 34 H LEU 34 -9.657 -10.652 -5.999 267 HA LEU 34 HA LEU 34 -12.045 -12.333 -5.600 268 1HB LEU 34 1HB LEU 34 -9.722 -12.796 -7.464 269 2HB LEU 34 2HB LEU 34 -11.221 -13.695 -7.416 270 HG LEU 34 HG LEU 34 -11.363 -12.268 -9.305 271 1HD1 LEU 34 1HD1 LEU 34 -13.402 -12.302 -7.889 272 2HD1 LEU 34 2HD1 LEU 34 -12.818 -10.871 -7.039 273 3HD1 LEU 34 3HD1 LEU 34 -13.227 -10.773 -8.752 274 1HD2 LEU 34 1HD2 LEU 34 -9.483 -10.752 -8.283 275 2HD2 LEU 34 2HD2 LEU 34 -10.656 -10.039 -9.390 276 3HD2 LEU 34 3HD2 LEU 34 -10.835 -9.812 -7.651 277 H CYS 35 H CYS 35 -8.629 -12.094 -4.901 278 HA CYS 35 HA CYS 35 -8.117 -14.767 -4.152 279 1HB CYS 35 1HB CYS 35 -6.873 -12.304 -2.906 280 2HB CYS 35 2HB CYS 35 -6.183 -13.923 -2.980 281 H SER 36 H SER 36 -7.266 -14.861 -1.592 282 HA SER 36 HA SER 36 -9.787 -14.587 -0.083 283 1HB SER 36 1HB SER 36 -7.435 -16.444 0.183 284 2HB SER 36 2HB SER 36 -8.570 -16.209 1.509 285 HG SER 36 HG SER 36 -9.285 -16.924 -1.147 286 H LYS 37 H LYS 37 -7.554 -12.511 -0.529 287 HA LYS 37 HA LYS 37 -7.662 -11.380 2.081 288 1HB LYS 37 1HB LYS 37 -5.851 -13.237 2.244 289 2HB LYS 37 2HB LYS 37 -4.861 -12.137 1.285 290 1HG LYS 37 1HG LYS 37 -4.676 -10.602 2.983 291 2HG LYS 37 2HG LYS 37 -6.280 -10.961 3.622 292 1HD LYS 37 1HD LYS 37 -5.297 -13.237 4.325 293 2HD LYS 37 2HD LYS 37 -3.718 -12.505 4.030 294 1HE LYS 37 1HE LYS 37 -4.145 -12.133 6.339 295 2HE LYS 37 2HE LYS 37 -4.497 -10.593 5.555 296 1HZ LYS 37 1HZ LYS 37 -6.564 -12.647 6.100 297 2HZ LYS 37 2HZ LYS 37 -6.208 -11.383 7.174 298 3HZ LYS 37 3HZ LYS 37 -6.803 -11.034 5.621 299 HA PRO 38 HA PRO 38 -6.487 -8.593 -1.473 300 1HB PRO 38 1HB PRO 38 -8.888 -7.358 -1.852 301 2HB PRO 38 2HB PRO 38 -8.415 -8.855 -2.671 302 1HG PRO 38 1HG PRO 38 -10.366 -8.454 -0.490 303 2HG PRO 38 2HG PRO 38 -10.263 -9.754 -1.685 304 1HD PRO 38 1HD PRO 38 -9.413 -9.855 1.043 305 2HD PRO 38 2HD PRO 38 -9.170 -11.099 -0.207 306 H GLY 39 H GLY 39 -6.435 -6.223 -1.526 307 1HA GLY 39 1HA GLY 39 -5.748 -5.003 0.863 308 2HA GLY 39 2HA GLY 39 -7.450 -4.621 0.608 309 H VAL 40 H VAL 40 -4.655 -3.192 0.368 310 HA VAL 40 HA VAL 40 -4.835 -2.207 -2.380 311 HB VAL 40 HB VAL 40 -5.003 -0.268 -0.066 312 1HG1 VAL 40 1HG1 VAL 40 -4.044 0.173 -2.540 313 2HG1 VAL 40 2HG1 VAL 40 -5.762 0.411 -2.853 314 3HG1 VAL 40 3HG1 VAL 40 -4.942 1.388 -1.635 315 1HG2 VAL 40 1HG2 VAL 40 -7.167 -1.249 -1.945 316 2HG2 VAL 40 2HG2 VAL 40 -7.095 -1.532 -0.206 317 3HG2 VAL 40 3HG2 VAL 40 -7.338 0.102 -0.823 318 H ILE 41 H ILE 41 -2.937 -1.458 -3.154 319 HA ILE 41 HA ILE 41 -0.620 -1.650 -1.349 320 HB ILE 41 HB ILE 41 -0.911 -1.872 -4.350 321 1HG1 ILE 41 1HG1 ILE 41 0.271 -4.074 -3.802 322 2HG1 ILE 41 2HG1 ILE 41 -0.050 -3.704 -2.108 323 1HG2 ILE 41 1HG2 ILE 41 1.145 -0.557 -3.831 324 2HG2 ILE 41 2HG2 ILE 41 1.674 -1.850 -2.754 325 3HG2 ILE 41 3HG2 ILE 41 1.525 -2.150 -4.486 326 1HD1 ILE 41 1HD1 ILE 41 -2.351 -3.466 -3.979 327 2HD1 ILE 41 2HD1 ILE 41 -1.781 -5.098 -3.628 328 3HD1 ILE 41 3HD1 ILE 41 -2.309 -4.046 -2.314 329 H PHE 42 H PHE 42 0.661 0.070 -0.952 330 HA PHE 42 HA PHE 42 -0.236 2.668 -2.002 331 1HB PHE 42 1HB PHE 42 1.241 1.789 0.450 332 2HB PHE 42 2HB PHE 42 1.486 3.428 -0.152 333 HD1 PHE 42 HD1 PHE 42 -1.079 1.007 1.020 334 HD2 PHE 42 HD2 PHE 42 -0.198 5.102 0.071 335 HE1 PHE 42 HE1 PHE 42 -3.231 1.704 2.034 336 HE2 PHE 42 HE2 PHE 42 -2.350 5.798 1.083 337 HZ PHE 42 HZ PHE 42 -3.867 4.102 2.068 338 H LEU 43 H LEU 43 0.878 3.630 -3.555 339 HA LEU 43 HA LEU 43 3.601 2.696 -4.162 340 1HB LEU 43 1HB LEU 43 1.882 4.588 -5.757 341 2HB LEU 43 2HB LEU 43 3.344 3.786 -6.286 342 HG LEU 43 HG LEU 43 1.079 2.043 -5.450 343 1HD1 LEU 43 1HD1 LEU 43 1.063 3.893 -7.820 344 2HD1 LEU 43 2HD1 LEU 43 0.311 2.304 -7.946 345 3HD1 LEU 43 3HD1 LEU 43 -0.263 3.460 -6.742 346 1HD2 LEU 43 1HD2 LEU 43 3.359 1.287 -6.302 347 2HD2 LEU 43 2HD2 LEU 43 1.973 0.625 -7.168 348 3HD2 LEU 43 3HD2 LEU 43 2.900 1.951 -7.869 349 H THR 44 H THR 44 5.023 3.755 -2.861 350 HA THR 44 HA THR 44 4.704 6.416 -1.944 351 HB THR 44 HB THR 44 7.135 6.265 -1.395 352 HG1 THR 44 HG1 THR 44 7.532 4.869 -3.297 353 1HG2 THR 44 1HG2 THR 44 5.121 4.203 -0.640 354 2HG2 THR 44 2HG2 THR 44 6.784 3.951 -0.112 355 3HG2 THR 44 3HG2 THR 44 5.922 5.413 0.363 356 H LYS 45 H LYS 45 6.446 8.124 -2.451 357 HA LYS 45 HA LYS 45 6.120 8.981 -5.116 358 1HB LYS 45 1HB LYS 45 7.919 9.827 -2.866 359 2HB LYS 45 2HB LYS 45 8.132 10.516 -4.476 360 1HG LYS 45 1HG LYS 45 6.141 11.655 -4.406 361 2HG LYS 45 2HG LYS 45 5.351 10.420 -3.423 362 1HD LYS 45 1HD LYS 45 5.586 12.021 -1.795 363 2HD LYS 45 2HD LYS 45 7.176 11.275 -1.639 364 1HE LYS 45 1HE LYS 45 7.779 13.002 -3.576 365 2HE LYS 45 2HE LYS 45 6.422 13.887 -2.881 366 1HZ LYS 45 1HZ LYS 45 7.508 13.640 -0.691 367 2HZ LYS 45 2HZ LYS 45 8.854 12.953 -1.460 368 3HZ LYS 45 3HZ LYS 45 8.419 14.562 -1.791 369 H ARG 46 H ARG 46 9.096 7.881 -3.492 370 HA ARG 46 HA ARG 46 10.026 6.816 -6.090 371 1HB ARG 46 1HB ARG 46 11.167 8.964 -5.432 372 2HB ARG 46 2HB ARG 46 11.805 8.110 -4.026 373 1HG ARG 46 1HG ARG 46 13.212 6.787 -5.290 374 2HG ARG 46 2HG ARG 46 12.158 6.835 -6.705 375 1HD ARG 46 1HD ARG 46 12.785 9.414 -6.657 376 2HD ARG 46 2HD ARG 46 14.197 8.824 -5.788 377 HE ARG 46 HE ARG 46 14.992 7.991 -7.791 378 1HH1 ARG 46 1HH1 ARG 46 11.534 8.473 -8.047 379 2HH1 ARG 46 2HH1 ARG 46 11.489 8.070 -9.728 380 1HH2 ARG 46 1HH2 ARG 46 14.887 7.471 -9.984 381 2HH2 ARG 46 2HH2 ARG 46 13.369 7.507 -10.817 382 H GLY 47 H GLY 47 9.139 5.979 -3.005 383 1HA GLY 47 1HA GLY 47 9.676 4.267 -1.561 384 2HA GLY 47 2HA GLY 47 11.254 4.169 -2.332 385 H ARG 48 H ARG 48 8.309 2.657 -1.890 386 HA ARG 48 HA ARG 48 8.318 1.150 -4.386 387 1HB ARG 48 1HB ARG 48 9.475 0.123 -1.868 388 2HB ARG 48 2HB ARG 48 8.334 -0.964 -2.656 389 1HG ARG 48 1HG ARG 48 9.596 -0.777 -4.764 390 2HG ARG 48 2HG ARG 48 10.735 0.324 -3.988 391 1HD ARG 48 1HD ARG 48 11.143 -1.530 -2.279 392 2HD ARG 48 2HD ARG 48 10.264 -2.597 -3.369 393 HE ARG 48 HE ARG 48 12.949 -1.597 -3.728 394 1HH1 ARG 48 1HH1 ARG 48 10.087 -2.774 -5.364 395 2HH1 ARG 48 2HH1 ARG 48 10.962 -3.296 -6.761 396 1HH2 ARG 48 1HH2 ARG 48 14.052 -2.293 -5.568 397 2HH2 ARG 48 2HH2 ARG 48 13.188 -3.027 -6.878 398 H GLN 49 H GLN 49 6.747 -0.921 -3.819 399 HA GLN 49 HA GLN 49 4.201 0.327 -3.212 400 1HB GLN 49 1HB GLN 49 5.105 -2.280 -4.339 401 2HB GLN 49 2HB GLN 49 3.521 -2.233 -3.563 402 1HG GLN 49 1HG GLN 49 2.810 -0.414 -5.014 403 2HG GLN 49 2HG GLN 49 4.422 -0.306 -5.723 404 2HE2 GLN 49 2HE2 GLN 49 3.460 -0.809 -7.864 405 1HE2 GLN 49 1HE2 GLN 49 3.021 -2.404 -8.245 406 H VAL 50 H VAL 50 2.696 -0.554 -1.643 407 HA VAL 50 HA VAL 50 3.824 -2.213 0.487 408 HB VAL 50 HB VAL 50 2.788 0.592 0.978 409 1HG1 VAL 50 1HG1 VAL 50 3.414 -1.708 2.827 410 2HG1 VAL 50 2HG1 VAL 50 3.564 -0.040 3.378 411 3HG1 VAL 50 3HG1 VAL 50 2.004 -0.649 2.828 412 1HG2 VAL 50 1HG2 VAL 50 5.492 -0.733 1.146 413 2HG2 VAL 50 2HG2 VAL 50 5.051 0.759 0.314 414 3HG2 VAL 50 3HG2 VAL 50 5.125 0.719 2.076 415 H CYS 51 H CYS 51 2.360 -3.744 0.751 416 HA CYS 51 HA CYS 51 -0.413 -3.423 0.061 417 1HB CYS 51 1HB CYS 51 0.891 -5.617 1.696 418 2HB CYS 51 2HB CYS 51 -0.680 -5.691 0.901 419 H ALA 52 H ALA 52 -1.721 -2.185 1.287 420 HA ALA 52 HA ALA 52 -1.399 -2.361 4.233 421 1HB ALA 52 1HB ALA 52 -0.894 -0.122 2.917 422 2HB ALA 52 2HB ALA 52 -2.651 0.034 2.962 423 3HB ALA 52 3HB ALA 52 -1.739 -0.095 4.465 424 H ASP 53 H ASP 53 -3.197 -2.624 5.464 425 HA ASP 53 HA ASP 53 -5.599 -3.545 4.115 426 1HB ASP 53 1HB ASP 53 -4.470 -3.703 6.839 427 2HB ASP 53 2HB ASP 53 -6.224 -3.536 6.786 428 H LYS 54 H LYS 54 -7.675 -2.816 5.571 429 HA LYS 54 HA LYS 54 -7.741 0.127 5.297 430 1HB LYS 54 1HB LYS 54 -10.071 -1.809 5.260 431 2HB LYS 54 2HB LYS 54 -10.132 -0.078 4.926 432 1HG LYS 54 1HG LYS 54 -8.294 -1.826 3.319 433 2HG LYS 54 2HG LYS 54 -10.012 -1.775 2.925 434 1HD LYS 54 1HD LYS 54 -9.548 0.869 3.161 435 2HD LYS 54 2HD LYS 54 -7.942 0.343 2.652 436 1HE LYS 54 1HE LYS 54 -9.303 0.891 0.687 437 2HE LYS 54 2HE LYS 54 -8.961 -0.839 0.721 438 1HZ LYS 54 1HZ LYS 54 -11.402 0.170 2.008 439 2HZ LYS 54 2HZ LYS 54 -11.368 0.011 0.320 440 3HZ LYS 54 3HZ LYS 54 -11.101 -1.347 1.305 441 H SER 55 H SER 55 -8.457 -2.591 7.388 442 HA SER 55 HA SER 55 -9.932 -1.307 9.392 443 1HB SER 55 1HB SER 55 -8.310 -3.762 9.203 444 2HB SER 55 2HB SER 55 -8.521 -3.123 10.829 445 HG SER 55 HG SER 55 -10.708 -3.268 10.591 446 H LYS 56 H LYS 56 -6.528 -1.200 8.645 447 HA LYS 56 HA LYS 56 -5.481 -0.352 11.105 448 1HB LYS 56 1HB LYS 56 -4.619 0.359 8.292 449 2HB LYS 56 2HB LYS 56 -3.674 0.698 9.742 450 1HG LYS 56 1HG LYS 56 -4.641 -2.086 9.068 451 2HG LYS 56 2HG LYS 56 -3.093 -1.463 8.495 452 1HD LYS 56 1HD LYS 56 -2.560 -0.902 10.922 453 2HD LYS 56 2HD LYS 56 -3.981 -1.850 11.361 454 1HE LYS 56 1HE LYS 56 -2.898 -3.694 9.851 455 2HE LYS 56 2HE LYS 56 -1.414 -2.773 10.096 456 1HZ LYS 56 1HZ LYS 56 -3.125 -3.542 12.375 457 2HZ LYS 56 2HZ LYS 56 -1.971 -4.617 11.751 458 3HZ LYS 56 3HZ LYS 56 -1.481 -3.115 12.376 459 H ASP 57 H ASP 57 -4.444 1.972 11.235 460 HA ASP 57 HA ASP 57 -6.671 3.883 10.868 461 1HB ASP 57 1HB ASP 57 -5.583 5.167 12.718 462 2HB ASP 57 2HB ASP 57 -6.144 3.568 13.207 463 H TRP 58 H TRP 58 -3.268 3.300 10.300 464 HA TRP 58 HA TRP 58 -2.738 6.001 9.431 465 1HB TRP 58 1HB TRP 58 -0.541 5.139 8.733 466 2HB TRP 58 2HB TRP 58 -0.920 4.706 10.396 467 HD1 TRP 58 HD1 TRP 58 -1.481 2.150 10.915 468 HE1 TRP 58 HE1 TRP 58 -0.893 -0.012 9.643 469 HE3 TRP 58 HE3 TRP 58 -0.254 4.107 6.371 470 HZ2 TRP 58 HZ2 TRP 58 -0.013 -0.812 7.022 471 HZ3 TRP 58 HZ3 TRP 58 0.454 2.635 4.509 472 HH2 TRP 58 HH2 TRP 58 0.572 0.183 4.830 473 H VAL 59 H VAL 59 -3.852 3.061 7.954 474 HA VAL 59 HA VAL 59 -3.211 3.849 5.256 475 HB VAL 59 HB VAL 59 -5.202 1.775 6.205 476 1HG1 VAL 59 1HG1 VAL 59 -4.105 2.623 3.573 477 2HG1 VAL 59 2HG1 VAL 59 -4.226 0.884 3.844 478 3HG1 VAL 59 3HG1 VAL 59 -5.666 1.897 3.960 479 1HG2 VAL 59 1HG2 VAL 59 -2.255 1.543 5.517 480 2HG2 VAL 59 2HG2 VAL 59 -2.964 1.344 7.120 481 3HG2 VAL 59 3HG2 VAL 59 -3.329 0.183 5.845 482 H LYS 60 H LYS 60 -5.933 4.151 7.443 483 HA LYS 60 HA LYS 60 -7.867 4.963 5.524 484 1HB LYS 60 1HB LYS 60 -8.265 4.194 7.943 485 2HB LYS 60 2HB LYS 60 -7.847 5.843 8.407 486 1HG LYS 60 1HG LYS 60 -9.643 6.749 7.064 487 2HG LYS 60 2HG LYS 60 -9.990 5.162 6.377 488 1HD LYS 60 1HD LYS 60 -10.274 4.484 8.924 489 2HD LYS 60 2HD LYS 60 -10.582 6.211 9.120 490 1HE LYS 60 1HE LYS 60 -12.727 5.536 8.631 491 2HE LYS 60 2HE LYS 60 -12.142 5.768 6.983 492 1HZ LYS 60 1HZ LYS 60 -12.111 3.199 8.476 493 2HZ LYS 60 2HZ LYS 60 -13.225 3.619 7.264 494 3HZ LYS 60 3HZ LYS 60 -11.585 3.430 6.877 495 H LYS 61 H LYS 61 -5.659 6.767 7.643 496 HA LYS 61 HA LYS 61 -6.541 9.356 6.953 497 1HB LYS 61 1HB LYS 61 -4.830 8.508 8.794 498 2HB LYS 61 2HB LYS 61 -3.649 8.880 7.538 499 1HG LYS 61 1HG LYS 61 -4.599 11.162 7.340 500 2HG LYS 61 2HG LYS 61 -5.737 10.788 8.634 501 1HD LYS 61 1HD LYS 61 -3.457 10.084 9.873 502 2HD LYS 61 2HD LYS 61 -2.808 11.304 8.778 503 1HE LYS 61 1HE LYS 61 -4.227 13.000 9.652 504 2HE LYS 61 2HE LYS 61 -5.253 11.824 10.474 505 1HZ LYS 61 1HZ LYS 61 -3.323 11.237 11.863 506 2HZ LYS 61 2HZ LYS 61 -2.435 12.487 11.131 507 3HZ LYS 61 3HZ LYS 61 -3.809 12.850 12.062 508 H LEU 62 H LEU 62 -4.001 7.297 5.570 509 HA LEU 62 HA LEU 62 -3.040 9.152 3.669 510 1HB LEU 62 1HB LEU 62 -3.154 6.147 3.474 511 2HB LEU 62 2HB LEU 62 -2.199 7.198 2.455 512 HG LEU 62 HG LEU 62 -1.785 7.238 5.423 513 1HD1 LEU 62 1HD1 LEU 62 -0.988 5.116 3.450 514 2HD1 LEU 62 2HD1 LEU 62 0.085 5.505 4.794 515 3HD1 LEU 62 3HD1 LEU 62 -1.553 4.934 5.110 516 1HD2 LEU 62 1HD2 LEU 62 -0.324 7.998 2.923 517 2HD2 LEU 62 2HD2 LEU 62 -0.457 8.870 4.450 518 3HD2 LEU 62 3HD2 LEU 62 0.634 7.491 4.315 519 H MET 63 H MET 63 -5.542 6.665 3.506 520 HA MET 63 HA MET 63 -6.244 6.807 0.823 521 1HB MET 63 1HB MET 63 -7.802 6.197 3.310 522 2HB MET 63 2HB MET 63 -8.638 6.318 1.762 523 1HG MET 63 1HG MET 63 -6.541 4.762 1.033 524 2HG MET 63 2HG MET 63 -6.703 4.274 2.718 525 1HE MET 63 1HE MET 63 -7.071 3.440 -0.357 526 2HE MET 63 2HE MET 63 -7.484 1.880 0.347 527 3HE MET 63 3HE MET 63 -8.619 2.676 -0.740 528 H GLN 64 H GLN 64 -7.069 8.970 3.462 529 HA GLN 64 HA GLN 64 -8.880 10.539 1.798 530 1HB GLN 64 1HB GLN 64 -9.219 10.153 4.291 531 2HB GLN 64 2HB GLN 64 -7.863 11.251 4.551 532 1HG GLN 64 1HG GLN 64 -9.025 13.037 3.368 533 2HG GLN 64 2HG GLN 64 -10.351 11.946 2.964 534 2HE2 GLN 64 2HE2 GLN 64 -12.052 11.845 4.449 535 1HE2 GLN 64 1HE2 GLN 64 -11.983 12.449 6.033 536 H GLN 65 H GLN 65 -5.581 10.620 2.959 537 HA GLN 65 HA GLN 65 -5.086 13.365 2.287 538 1HB GLN 65 1HB GLN 65 -3.432 11.033 3.142 539 2HB GLN 65 2HB GLN 65 -2.620 12.404 2.391 540 1HG GLN 65 1HG GLN 65 -4.612 13.170 4.426 541 2HG GLN 65 2HG GLN 65 -3.265 12.230 5.063 542 2HE2 GLN 65 2HE2 GLN 65 -1.066 13.127 4.771 543 1HE2 GLN 65 1HE2 GLN 65 -0.851 14.782 4.464 544 H LEU 66 H LEU 66 -4.714 10.267 0.656 545 HA LEU 66 HA LEU 66 -3.666 11.673 -1.725 546 1HB LEU 66 1HB LEU 66 -3.664 8.701 -1.310 547 2HB LEU 66 2HB LEU 66 -2.709 9.642 -2.435 548 HG LEU 66 HG LEU 66 -2.371 9.719 0.572 549 1HD1 LEU 66 1HD1 LEU 66 -1.812 7.507 -0.488 550 2HD1 LEU 66 2HD1 LEU 66 -0.649 8.348 -1.512 551 3HD1 LEU 66 3HD1 LEU 66 -0.424 8.316 0.237 552 1HD2 LEU 66 1HD2 LEU 66 -1.146 11.119 -1.754 553 2HD2 LEU 66 2HD2 LEU 66 -1.387 11.686 -0.101 554 3HD2 LEU 66 3HD2 LEU 66 -0.048 10.599 -0.475 555 HA PRO 67 HA PRO 67 -7.523 10.745 -3.670 556 1HB PRO 67 1HB PRO 67 -6.796 11.031 -6.295 557 2HB PRO 67 2HB PRO 67 -7.038 12.386 -5.184 558 1HG PRO 67 1HG PRO 67 -4.517 11.265 -6.251 559 2HG PRO 67 2HG PRO 67 -4.867 12.897 -5.664 560 1HD PRO 67 1HD PRO 67 -3.496 10.848 -4.247 561 2HD PRO 67 2HD PRO 67 -4.067 12.398 -3.585 562 H VAL 68 H VAL 68 -5.325 9.457 -6.143 563 HA VAL 68 HA VAL 68 -5.249 6.779 -5.595 564 HB VAL 68 HB VAL 68 -7.965 7.594 -6.393 565 1HG1 VAL 68 1HG1 VAL 68 -6.631 5.362 -7.947 566 2HG1 VAL 68 2HG1 VAL 68 -8.380 5.527 -7.781 567 3HG1 VAL 68 3HG1 VAL 68 -7.449 6.780 -8.603 568 1HG2 VAL 68 1HG2 VAL 68 -6.768 5.927 -4.548 569 2HG2 VAL 68 2HG2 VAL 68 -8.492 5.976 -4.910 570 3HG2 VAL 68 3HG2 VAL 68 -7.457 4.785 -5.699 571 H THR 69 H THR 69 -4.497 5.517 -7.389 572 HA THR 69 HA THR 69 -2.878 6.947 -9.190 573 HB THR 69 HB THR 69 -2.393 4.796 -10.192 574 HG1 THR 69 HG1 THR 69 -4.635 3.896 -8.715 575 1HG2 THR 69 1HG2 THR 69 -1.576 5.339 -7.853 576 2HG2 THR 69 2HG2 THR 69 -2.892 4.334 -7.249 577 3HG2 THR 69 3HG2 THR 69 -1.627 3.622 -8.251 578 H ALA 70 H ALA 70 -4.187 8.430 -10.304 579 HA ALA 70 HA ALA 70 -6.507 7.743 -11.774 580 1HB ALA 70 1HB ALA 70 -4.554 9.999 -12.291 581 2HB ALA 70 2HB ALA 70 -5.923 10.073 -11.182 582 3HB ALA 70 3HB ALA 70 -6.199 9.887 -12.915 583 H ARG 71 H ARG 71 -5.941 5.788 -12.851 584 HA ARG 71 HA ARG 71 -4.605 6.276 -15.420 585 1HB ARG 71 1HB ARG 71 -3.735 4.317 -13.339 586 2HB ARG 71 2HB ARG 71 -3.629 3.841 -15.034 587 1HG ARG 71 1HG ARG 71 -2.134 5.586 -15.559 588 2HG ARG 71 2HG ARG 71 -2.550 6.499 -14.108 589 1HD ARG 71 1HD ARG 71 -1.210 5.217 -12.745 590 2HD ARG 71 2HD ARG 71 -1.412 3.771 -13.728 591 HE ARG 71 HE ARG 71 0.676 5.716 -13.976 592 1HH1 ARG 71 1HH1 ARG 71 -1.334 3.511 -15.807 593 2HH1 ARG 71 2HH1 ARG 71 -0.175 3.333 -17.079 594 1HH2 ARG 71 1HH2 ARG 71 2.158 5.455 -15.655 595 2HH2 ARG 71 2HH2 ARG 71 1.786 4.423 -16.996 No H/Q in entry = 595 Start of MODEL 12 1 H1 LEU 1 H1 LEU 1 -5.445 -5.405 -19.795 2 H2 LEU 1 H2 LEU 1 -4.446 -4.253 -19.047 3 H3 LEU 1 H3 LEU 1 -6.059 -4.424 -18.551 4 HA LEU 1 HA LEU 1 -6.908 -3.422 -20.439 5 1HB LEU 1 1HB LEU 1 -5.634 -1.856 -18.942 6 2HB LEU 1 2HB LEU 1 -4.240 -2.050 -20.004 7 HG LEU 1 HG LEU 1 -5.961 -1.407 -21.893 8 1HD1 LEU 1 1HD1 LEU 1 -7.218 -0.306 -19.365 9 2HD1 LEU 1 2HD1 LEU 1 -7.604 0.281 -20.983 10 3HD1 LEU 1 3HD1 LEU 1 -7.964 -1.388 -20.541 11 1HD2 LEU 1 1HD2 LEU 1 -3.941 -0.110 -21.107 12 2HD2 LEU 1 2HD2 LEU 1 -5.267 0.902 -21.679 13 3HD2 LEU 1 3HD2 LEU 1 -4.989 0.707 -19.948 14 H GLY 2 H GLY 2 -7.049 -3.611 -22.587 15 1HA GLY 2 1HA GLY 2 -4.674 -3.776 -24.259 16 2HA GLY 2 2HA GLY 2 -6.343 -3.710 -24.815 17 H ALA 3 H ALA 3 -7.631 -5.752 -23.968 18 HA ALA 3 HA ALA 3 -8.025 -7.984 -24.350 19 1HB ALA 3 1HB ALA 3 -6.338 -7.365 -26.372 20 2HB ALA 3 2HB ALA 3 -5.360 -8.555 -25.513 21 3HB ALA 3 3HB ALA 3 -6.966 -8.991 -26.097 22 H SER 4 H SER 4 -4.494 -7.883 -23.850 23 HA SER 4 HA SER 4 -3.139 -8.942 -22.329 24 1HB SER 4 1HB SER 4 -3.696 -8.695 -20.057 25 2HB SER 4 2HB SER 4 -4.538 -7.367 -20.846 26 HG SER 4 HG SER 4 -5.581 -9.208 -19.329 27 H TRP 5 H TRP 5 -3.010 -10.859 -20.768 28 HA TRP 5 HA TRP 5 -4.982 -12.930 -21.018 29 1HB TRP 5 1HB TRP 5 -2.872 -12.763 -23.023 30 2HB TRP 5 2HB TRP 5 -2.793 -14.282 -22.138 31 HD1 TRP 5 HD1 TRP 5 -4.129 -13.240 -25.181 32 HE1 TRP 5 HE1 TRP 5 -6.339 -14.413 -25.803 33 HE3 TRP 5 HE3 TRP 5 -5.468 -15.077 -20.609 34 HZ2 TRP 5 HZ2 TRP 5 -8.403 -15.930 -24.529 35 HZ3 TRP 5 HZ3 TRP 5 -7.558 -16.381 -20.341 36 HH2 TRP 5 HH2 TRP 5 -9.026 -16.809 -22.293 37 H HIS 6 H HIS 6 -3.492 -11.543 -18.953 38 HA HIS 6 HA HIS 6 -2.255 -13.898 -17.676 39 1HB HIS 6 1HB HIS 6 -0.577 -12.366 -16.624 40 2HB HIS 6 2HB HIS 6 -0.388 -12.522 -18.370 41 HD1 HIS 6 HD1 HIS 6 -1.091 -10.480 -19.841 42 HD2 HIS 6 HD2 HIS 6 -1.400 -9.798 -15.740 43 HE1 HIS 6 HE1 HIS 6 -1.395 -7.983 -19.552 44 H ARG 7 H ARG 7 -1.784 -13.139 -15.232 45 HA ARG 7 HA ARG 7 -4.349 -12.033 -14.249 46 1HB ARG 7 1HB ARG 7 -2.648 -14.304 -13.332 47 2HB ARG 7 2HB ARG 7 -3.486 -13.355 -12.101 48 1HG ARG 7 1HG ARG 7 -5.603 -13.659 -13.486 49 2HG ARG 7 2HG ARG 7 -4.708 -14.847 -14.434 50 1HD ARG 7 1HD ARG 7 -4.638 -16.373 -12.717 51 2HD ARG 7 2HD ARG 7 -4.605 -15.131 -11.472 52 HE ARG 7 HE ARG 7 -6.909 -15.287 -11.365 53 1HH1 ARG 7 1HH1 ARG 7 -5.824 -16.533 -14.452 54 2HH1 ARG 7 2HH1 ARG 7 -7.406 -17.046 -14.929 55 1HH2 ARG 7 1HH2 ARG 7 -8.954 -15.971 -12.026 56 2HH2 ARG 7 2HH2 ARG 7 -9.164 -16.732 -13.567 57 HA PRO 8 HA PRO 8 -1.142 -9.124 -12.728 58 1HB PRO 8 1HB PRO 8 -2.572 -6.847 -13.208 59 2HB PRO 8 2HB PRO 8 -1.563 -7.648 -14.423 60 1HG PRO 8 1HG PRO 8 -4.511 -7.553 -14.200 61 2HG PRO 8 2HG PRO 8 -3.494 -7.799 -15.627 62 1HD PRO 8 1HD PRO 8 -4.887 -9.805 -14.164 63 2HD PRO 8 2HD PRO 8 -3.697 -10.066 -15.460 64 H ASP 9 H ASP 9 -1.813 -6.888 -11.360 65 HA ASP 9 HA ASP 9 -2.534 -6.114 -9.318 66 1HB ASP 9 1HB ASP 9 -4.904 -7.923 -9.855 67 2HB ASP 9 2HB ASP 9 -4.833 -6.647 -8.637 68 H LYS 10 H LYS 10 -0.977 -6.962 -7.996 69 HA LYS 10 HA LYS 10 -0.824 -9.672 -7.178 70 1HB LYS 10 1HB LYS 10 0.206 -7.224 -5.723 71 2HB LYS 10 2HB LYS 10 0.737 -8.889 -5.478 72 1HG LYS 10 1HG LYS 10 1.963 -8.930 -7.413 73 2HG LYS 10 2HG LYS 10 0.842 -7.869 -8.269 74 1HD LYS 10 1HD LYS 10 1.711 -5.921 -7.138 75 2HD LYS 10 2HD LYS 10 2.689 -6.920 -6.062 76 1HE LYS 10 1HE LYS 10 3.738 -7.828 -8.285 77 2HE LYS 10 2HE LYS 10 3.086 -6.347 -8.988 78 1HZ LYS 10 1HZ LYS 10 4.233 -5.134 -7.149 79 2HZ LYS 10 2HZ LYS 10 5.011 -6.591 -6.745 80 3HZ LYS 10 3HZ LYS 10 5.273 -5.876 -8.264 81 H CYS 11 H CYS 11 -2.153 -10.756 -5.897 82 HA CYS 11 HA CYS 11 -4.322 -9.625 -4.511 83 1HB CYS 11 1HB CYS 11 -2.984 -12.278 -3.923 84 2HB CYS 11 2HB CYS 11 -4.642 -11.819 -3.532 85 H CYS 12 H CYS 12 -1.174 -10.791 -3.344 86 HA CYS 12 HA CYS 12 0.015 -10.338 -1.430 87 1HB CYS 12 1HB CYS 12 -0.783 -7.925 -2.244 88 2HB CYS 12 2HB CYS 12 -1.711 -8.002 -0.747 89 H LEU 13 H LEU 13 -0.230 -11.672 0.221 90 HA LEU 13 HA LEU 13 -2.849 -11.906 1.531 91 1HB LEU 13 1HB LEU 13 -1.668 -13.834 2.719 92 2HB LEU 13 2HB LEU 13 -2.045 -14.030 1.021 93 HG LEU 13 HG LEU 13 0.659 -12.971 1.670 94 1HD1 LEU 13 1HD1 LEU 13 -0.316 -15.743 2.354 95 2HD1 LEU 13 2HD1 LEU 13 1.365 -15.460 1.902 96 3HD1 LEU 13 3HD1 LEU 13 0.686 -14.659 3.319 97 1HD2 LEU 13 1HD2 LEU 13 -0.732 -14.572 -0.417 98 2HD2 LEU 13 2HD2 LEU 13 0.512 -13.333 -0.592 99 3HD2 LEU 13 3HD2 LEU 13 0.961 -14.974 -0.126 100 H GLY 14 H GLY 14 0.467 -10.946 2.129 101 1HA GLY 14 1HA GLY 14 1.475 -10.429 4.228 102 2HA GLY 14 2HA GLY 14 -0.124 -10.440 4.967 103 H TYR 15 H TYR 15 0.268 -8.394 5.907 104 HA TYR 15 HA TYR 15 0.253 -6.136 3.989 105 1HB TYR 15 1HB TYR 15 -1.297 -6.457 6.568 106 2HB TYR 15 2HB TYR 15 -1.139 -4.927 5.703 107 HD1 TYR 15 HD1 TYR 15 -2.098 -4.654 3.439 108 HD2 TYR 15 HD2 TYR 15 -2.688 -8.244 5.721 109 HE1 TYR 15 HE1 TYR 15 -3.946 -5.312 1.923 110 HE2 TYR 15 HE2 TYR 15 -4.535 -8.904 4.204 111 HH TYR 15 HH TYR 15 -5.050 -8.178 1.512 112 H GLN 16 H GLN 16 0.810 -4.022 5.185 113 HA GLN 16 HA GLN 16 3.421 -4.370 6.342 114 1HB GLN 16 1HB GLN 16 2.326 -2.355 4.906 115 2HB GLN 16 2HB GLN 16 2.103 -1.716 6.532 116 1HG GLN 16 1HG GLN 16 4.628 -2.543 6.802 117 2HG GLN 16 2HG GLN 16 4.634 -2.300 5.056 118 2HE2 GLN 16 2HE2 GLN 16 6.030 -0.658 7.126 119 1HE2 GLN 16 1HE2 GLN 16 5.427 0.918 6.944 120 H LYS 17 H LYS 17 4.064 -4.150 8.425 121 HA LYS 17 HA LYS 17 1.915 -3.913 10.439 122 1HB LYS 17 1HB LYS 17 3.559 -5.017 11.978 123 2HB LYS 17 2HB LYS 17 3.087 -6.025 10.608 124 1HG LYS 17 1HG LYS 17 5.139 -5.761 9.531 125 2HG LYS 17 2HG LYS 17 5.498 -4.251 10.370 126 1HD LYS 17 1HD LYS 17 5.285 -6.864 11.865 127 2HD LYS 17 2HD LYS 17 6.799 -6.353 11.116 128 1HE LYS 17 1HE LYS 17 7.046 -4.527 12.540 129 2HE LYS 17 2HE LYS 17 5.317 -4.423 12.872 130 1HZ LYS 17 1HZ LYS 17 7.061 -6.645 13.782 131 2HZ LYS 17 2HZ LYS 17 6.634 -5.312 14.744 132 3HZ LYS 17 3HZ LYS 17 5.437 -6.390 14.200 133 H ARG 18 H ARG 18 3.176 -1.655 9.113 134 HA ARG 18 HA ARG 18 3.887 -0.143 11.472 135 1HB ARG 18 1HB ARG 18 5.913 -0.749 9.325 136 2HB ARG 18 2HB ARG 18 6.011 0.725 10.289 137 1HG ARG 18 1HG ARG 18 5.794 -0.837 12.340 138 2HG ARG 18 2HG ARG 18 6.198 -2.137 11.220 139 1HD ARG 18 1HD ARG 18 8.210 -0.710 10.531 140 2HD ARG 18 2HD ARG 18 7.866 0.273 11.950 141 HE ARG 18 HE ARG 18 8.711 -1.435 13.278 142 1HH1 ARG 18 1HH1 ARG 18 8.083 -2.651 10.055 143 2HH1 ARG 18 2HH1 ARG 18 8.845 -4.173 10.358 144 1HH2 ARG 18 1HH2 ARG 18 9.695 -3.434 13.630 145 2HH2 ARG 18 2HH2 ARG 18 9.750 -4.615 12.365 146 HA PRO 19 HA PRO 19 1.963 2.830 8.818 147 1HB PRO 19 1HB PRO 19 2.363 5.080 10.311 148 2HB PRO 19 2HB PRO 19 1.176 3.827 10.705 149 1HG PRO 19 1HG PRO 19 3.738 4.448 12.021 150 2HG PRO 19 2HG PRO 19 2.323 3.597 12.655 151 1HD PRO 19 1HD PRO 19 4.763 2.431 11.706 152 2HD PRO 19 2HD PRO 19 3.292 1.582 12.239 153 H LEU 20 H LEU 20 2.567 3.839 7.016 154 HA LEU 20 HA LEU 20 5.343 4.719 6.721 155 1HB LEU 20 1HB LEU 20 3.327 4.904 4.530 156 2HB LEU 20 2HB LEU 20 5.045 4.590 4.430 157 HG LEU 20 HG LEU 20 3.395 2.487 5.741 158 1HD1 LEU 20 1HD1 LEU 20 2.055 3.290 3.744 159 2HD1 LEU 20 2HD1 LEU 20 3.422 2.825 2.733 160 3HD1 LEU 20 3HD1 LEU 20 2.561 1.602 3.668 161 1HD2 LEU 20 1HD2 LEU 20 5.664 2.543 3.731 162 2HD2 LEU 20 2HD2 LEU 20 5.796 2.184 5.452 163 3HD2 LEU 20 3HD2 LEU 20 4.947 1.069 4.380 164 HA PRO 21 HA PRO 21 4.036 8.967 7.061 165 1HB PRO 21 1HB PRO 21 6.346 10.170 6.234 166 2HB PRO 21 2HB PRO 21 6.150 9.409 7.821 167 1HG PRO 21 1HG PRO 21 7.683 8.475 5.476 168 2HG PRO 21 2HG PRO 21 7.891 8.081 7.188 169 1HD PRO 21 1HD PRO 21 6.630 6.467 5.192 170 2HD PRO 21 2HD PRO 21 6.707 6.149 6.941 171 H GLN 22 H GLN 22 2.898 10.300 5.743 172 HA GLN 22 HA GLN 22 2.786 9.864 2.926 173 1HB GLN 22 1HB GLN 22 0.921 10.758 4.426 174 2HB GLN 22 2HB GLN 22 1.751 12.313 4.352 175 1HG GLN 22 1HG GLN 22 1.320 10.937 1.754 176 2HG GLN 22 2HG GLN 22 -0.124 11.562 2.550 177 2HE2 GLN 22 2HE2 GLN 22 1.347 12.585 0.092 178 1HE2 GLN 22 1HE2 GLN 22 1.690 14.210 0.443 179 H VAL 23 H VAL 23 4.947 11.658 4.856 180 HA VAL 23 HA VAL 23 5.509 13.940 3.408 181 HB VAL 23 HB VAL 23 6.514 13.374 5.592 182 1HG1 VAL 23 1HG1 VAL 23 7.072 10.946 4.542 183 2HG1 VAL 23 2HG1 VAL 23 8.637 11.729 4.320 184 3HG1 VAL 23 3HG1 VAL 23 7.932 11.610 5.932 185 1HG2 VAL 23 1HG2 VAL 23 7.551 15.013 3.889 186 2HG2 VAL 23 2HG2 VAL 23 8.584 14.450 5.202 187 3HG2 VAL 23 3HG2 VAL 23 8.744 13.748 3.593 188 H LEU 24 H LEU 24 6.216 10.624 2.580 189 HA LEU 24 HA LEU 24 7.517 11.604 0.116 190 1HB LEU 24 1HB LEU 24 9.203 10.013 0.178 191 2HB LEU 24 2HB LEU 24 9.125 10.622 1.811 192 HG LEU 24 HG LEU 24 9.432 8.328 2.090 193 1HD1 LEU 24 1HD1 LEU 24 7.417 9.218 3.328 194 2HD1 LEU 24 2HD1 LEU 24 6.413 8.513 2.062 195 3HD1 LEU 24 3HD1 LEU 24 7.417 7.474 3.073 196 1HD2 LEU 24 1HD2 LEU 24 8.758 8.030 -0.467 197 2HD2 LEU 24 2HD2 LEU 24 8.732 6.665 0.650 198 3HD2 LEU 24 3HD2 LEU 24 7.233 7.502 0.245 199 H LEU 25 H LEU 25 4.860 10.023 1.268 200 HA LEU 25 HA LEU 25 4.724 7.903 -0.695 201 1HB LEU 25 1HB LEU 25 3.537 8.230 1.682 202 2HB LEU 25 2HB LEU 25 2.296 8.925 0.670 203 HG LEU 25 HG LEU 25 2.003 6.840 -0.510 204 1HD1 LEU 25 1HD1 LEU 25 4.590 6.200 0.814 205 2HD1 LEU 25 2HD1 LEU 25 3.437 4.875 0.657 206 3HD1 LEU 25 3HD1 LEU 25 3.996 5.731 -0.779 207 1HD2 LEU 25 1HD2 LEU 25 2.026 6.870 2.475 208 2HD2 LEU 25 2HD2 LEU 25 0.666 6.701 1.365 209 3HD2 LEU 25 3HD2 LEU 25 1.725 5.326 1.677 210 H SER 26 H SER 26 2.642 7.854 -2.095 211 HA SER 26 HA SER 26 2.162 10.539 -3.240 212 1HB SER 26 1HB SER 26 3.166 8.095 -4.568 213 2HB SER 26 2HB SER 26 1.899 8.962 -5.430 214 HG SER 26 HG SER 26 4.273 9.586 -5.653 215 H SER 27 H SER 27 0.963 7.279 -4.032 216 HA SER 27 HA SER 27 -1.715 8.016 -3.080 217 1HB SER 27 1HB SER 27 -1.639 6.800 -5.779 218 2HB SER 27 2HB SER 27 -2.779 7.951 -5.095 219 HG SER 27 HG SER 27 -0.445 8.363 -6.487 220 H TRP 28 H TRP 28 -3.174 5.960 -4.008 221 HA TRP 28 HA TRP 28 -1.738 3.463 -3.423 222 1HB TRP 28 1HB TRP 28 -3.595 2.787 -1.857 223 2HB TRP 28 2HB TRP 28 -2.548 4.061 -1.236 224 HD1 TRP 28 HD1 TRP 28 -3.515 6.556 -1.208 225 HE1 TRP 28 HE1 TRP 28 -5.933 7.452 -1.195 226 HE3 TRP 28 HE3 TRP 28 -6.023 2.346 -2.663 227 HZ2 TRP 28 HZ2 TRP 28 -8.578 6.502 -1.748 228 HZ3 TRP 28 HZ3 TRP 28 -8.484 2.373 -2.912 229 HH2 TRP 28 HH2 TRP 28 -9.767 4.443 -2.452 230 H TYR 29 H TYR 29 -2.532 1.730 -4.528 231 HA TYR 29 HA TYR 29 -4.971 2.221 -6.125 232 1HB TYR 29 1HB TYR 29 -4.078 0.976 -7.927 233 2HB TYR 29 2HB TYR 29 -2.765 2.015 -7.392 234 HD1 TYR 29 HD1 TYR 29 -0.828 1.059 -6.141 235 HD2 TYR 29 HD2 TYR 29 -3.994 -1.422 -7.656 236 HE1 TYR 29 HE1 TYR 29 0.600 -0.942 -5.853 237 HE2 TYR 29 HE2 TYR 29 -2.561 -3.424 -7.364 238 HH TYR 29 HH TYR 29 -0.556 -4.042 -5.856 239 HA PRO 30 HA PRO 30 -6.639 -1.288 -4.011 240 1HB PRO 30 1HB PRO 30 -8.791 -1.783 -5.622 241 2HB PRO 30 2HB PRO 30 -8.702 -0.428 -4.487 242 1HG PRO 30 1HG PRO 30 -8.499 -0.421 -7.438 243 2HG PRO 30 2HG PRO 30 -9.010 0.868 -6.340 244 1HD PRO 30 1HD PRO 30 -6.473 0.624 -7.601 245 2HD PRO 30 2HD PRO 30 -6.917 1.777 -6.321 246 H THR 31 H THR 31 -6.950 -3.559 -4.152 247 HA THR 31 HA THR 31 -5.453 -4.820 -6.334 248 HB THR 31 HB THR 31 -5.947 -6.878 -4.727 249 HG1 THR 31 HG1 THR 31 -7.311 -5.685 -3.364 250 1HG2 THR 31 1HG2 THR 31 -3.986 -4.641 -4.154 251 2HG2 THR 31 2HG2 THR 31 -3.877 -6.267 -3.478 252 3HG2 THR 31 3HG2 THR 31 -3.719 -6.021 -5.217 253 H SER 32 H SER 32 -6.399 -7.239 -6.636 254 HA SER 32 HA SER 32 -8.903 -6.850 -8.017 255 1HB SER 32 1HB SER 32 -6.918 -9.065 -7.767 256 2HB SER 32 2HB SER 32 -8.556 -9.470 -8.268 257 HG SER 32 HG SER 32 -6.928 -7.458 -9.440 258 H GLN 33 H GLN 33 -10.853 -7.954 -7.621 259 HA GLN 33 HA GLN 33 -11.248 -8.657 -4.797 260 1HB GLN 33 1HB GLN 33 -13.667 -8.362 -5.352 261 2HB GLN 33 2HB GLN 33 -12.710 -6.903 -5.579 262 1HG GLN 33 1HG GLN 33 -12.672 -7.188 -7.950 263 2HG GLN 33 2HG GLN 33 -13.281 -8.839 -7.831 264 2HE2 GLN 33 2HE2 GLN 33 -14.236 -5.613 -8.340 265 1HE2 GLN 33 1HE2 GLN 33 -15.900 -5.809 -8.067 266 H LEU 34 H LEU 34 -9.996 -10.573 -6.491 267 HA LEU 34 HA LEU 34 -11.884 -12.760 -6.149 268 1HB LEU 34 1HB LEU 34 -11.271 -13.614 -8.493 269 2HB LEU 34 2HB LEU 34 -12.516 -12.398 -8.343 270 HG LEU 34 HG LEU 34 -10.912 -12.084 -10.259 271 1HD1 LEU 34 1HD1 LEU 34 -12.193 -10.245 -8.744 272 2HD1 LEU 34 2HD1 LEU 34 -10.528 -9.696 -8.541 273 3HD1 LEU 34 3HD1 LEU 34 -11.223 -9.825 -10.156 274 1HD2 LEU 34 1HD2 LEU 34 -8.998 -11.400 -8.004 275 2HD2 LEU 34 2HD2 LEU 34 -8.854 -12.777 -9.097 276 3HD2 LEU 34 3HD2 LEU 34 -8.691 -11.136 -9.720 277 H CYS 35 H CYS 35 -9.708 -12.296 -4.642 278 HA CYS 35 HA CYS 35 -7.693 -14.224 -5.631 279 1HB CYS 35 1HB CYS 35 -7.422 -11.857 -3.778 280 2HB CYS 35 2HB CYS 35 -6.183 -13.106 -3.908 281 H SER 36 H SER 36 -8.548 -12.939 -2.440 282 HA SER 36 HA SER 36 -9.770 -15.247 -1.403 283 1HB SER 36 1HB SER 36 -7.252 -15.958 -1.816 284 2HB SER 36 2HB SER 36 -6.992 -15.086 -0.308 285 HG SER 36 HG SER 36 -7.681 -16.855 0.588 286 H LYS 37 H LYS 37 -7.516 -12.630 -0.686 287 HA LYS 37 HA LYS 37 -9.331 -11.324 1.080 288 1HB LYS 37 1HB LYS 37 -7.945 -11.549 3.154 289 2HB LYS 37 2HB LYS 37 -8.721 -13.056 2.663 290 1HG LYS 37 1HG LYS 37 -6.732 -14.030 2.005 291 2HG LYS 37 2HG LYS 37 -5.988 -12.483 1.598 292 1HD LYS 37 1HD LYS 37 -6.677 -13.075 4.460 293 2HD LYS 37 2HD LYS 37 -5.214 -13.770 3.761 294 1HE LYS 37 1HE LYS 37 -4.452 -11.523 3.100 295 2HE LYS 37 2HE LYS 37 -5.918 -10.820 3.781 296 1HZ LYS 37 1HZ LYS 37 -4.158 -12.517 5.429 297 2HZ LYS 37 2HZ LYS 37 -3.807 -10.870 5.207 298 3HZ LYS 37 3HZ LYS 37 -5.273 -11.339 5.926 299 HA PRO 38 HA PRO 38 -5.674 -8.915 -0.546 300 1HB PRO 38 1HB PRO 38 -6.938 -7.522 -2.523 301 2HB PRO 38 2HB PRO 38 -6.186 -9.104 -2.767 302 1HG PRO 38 1HG PRO 38 -9.049 -8.389 -2.633 303 2HG PRO 38 2HG PRO 38 -8.269 -9.773 -3.410 304 1HD PRO 38 1HD PRO 38 -9.632 -9.758 -0.902 305 2HD PRO 38 2HD PRO 38 -8.698 -11.096 -1.610 306 H GLY 39 H GLY 39 -5.546 -6.438 -0.870 307 1HA GLY 39 1HA GLY 39 -5.981 -4.932 1.239 308 2HA GLY 39 2HA GLY 39 -7.620 -4.958 0.591 309 H VAL 40 H VAL 40 -4.628 -3.412 0.509 310 HA VAL 40 HA VAL 40 -4.872 -2.357 -2.193 311 HB VAL 40 HB VAL 40 -5.095 -0.465 0.162 312 1HG1 VAL 40 1HG1 VAL 40 -4.040 0.078 -2.240 313 2HG1 VAL 40 2HG1 VAL 40 -5.745 0.281 -2.640 314 3HG1 VAL 40 3HG1 VAL 40 -5.018 1.245 -1.355 315 1HG2 VAL 40 1HG2 VAL 40 -7.174 -1.484 -1.786 316 2HG2 VAL 40 2HG2 VAL 40 -7.187 -1.656 -0.031 317 3HG2 VAL 40 3HG2 VAL 40 -7.404 -0.067 -0.763 318 H ILE 41 H ILE 41 -2.967 -1.637 -2.969 319 HA ILE 41 HA ILE 41 -0.668 -1.751 -1.130 320 HB ILE 41 HB ILE 41 -0.929 -2.196 -4.106 321 1HG1 ILE 41 1HG1 ILE 41 0.381 -4.305 -3.286 322 2HG1 ILE 41 2HG1 ILE 41 -0.201 -3.825 -1.692 323 1HG2 ILE 41 1HG2 ILE 41 1.588 -1.773 -2.470 324 2HG2 ILE 41 2HG2 ILE 41 1.586 -2.602 -4.027 325 3HG2 ILE 41 3HG2 ILE 41 1.095 -0.910 -3.929 326 1HD1 ILE 41 1HD1 ILE 41 -2.048 -4.113 -4.068 327 2HD1 ILE 41 2HD1 ILE 41 -1.693 -5.454 -2.978 328 3HD1 ILE 41 3HD1 ILE 41 -2.485 -4.003 -2.363 329 H PHE 42 H PHE 42 0.733 -0.063 -0.950 330 HA PHE 42 HA PHE 42 -0.181 2.506 -2.045 331 1HB PHE 42 1HB PHE 42 1.665 1.735 0.209 332 2HB PHE 42 2HB PHE 42 1.676 3.367 -0.458 333 HD1 PHE 42 HD1 PHE 42 -0.427 0.810 1.215 334 HD2 PHE 42 HD2 PHE 42 -0.120 4.902 -0.051 335 HE1 PHE 42 HE1 PHE 42 -2.441 1.374 2.546 336 HE2 PHE 42 HE2 PHE 42 -2.134 5.467 1.280 337 HZ PHE 42 HZ PHE 42 -3.295 3.702 2.579 338 H LEU 43 H LEU 43 1.453 4.012 -2.871 339 HA LEU 43 HA LEU 43 3.848 2.725 -3.997 340 1HB LEU 43 1HB LEU 43 2.291 4.569 -5.742 341 2HB LEU 43 2HB LEU 43 3.407 3.296 -6.183 342 HG LEU 43 HG LEU 43 1.584 1.668 -5.364 343 1HD1 LEU 43 1HD1 LEU 43 0.245 4.311 -5.147 344 2HD1 LEU 43 2HD1 LEU 43 -0.704 3.021 -5.884 345 3HD1 LEU 43 3HD1 LEU 43 -0.057 2.820 -4.257 346 1HD2 LEU 43 1HD2 LEU 43 1.152 3.452 -7.779 347 2HD2 LEU 43 2HD2 LEU 43 2.127 1.983 -7.725 348 3HD2 LEU 43 3HD2 LEU 43 0.376 1.886 -7.538 349 H THR 44 H THR 44 5.314 3.913 -2.851 350 HA THR 44 HA THR 44 5.023 6.661 -2.210 351 HB THR 44 HB THR 44 7.406 6.587 -1.654 352 HG1 THR 44 HG1 THR 44 7.298 4.079 -2.969 353 1HG2 THR 44 1HG2 THR 44 5.526 4.450 -0.825 354 2HG2 THR 44 2HG2 THR 44 7.219 4.190 -0.408 355 3HG2 THR 44 3HG2 THR 44 6.386 5.637 0.156 356 H LYS 45 H LYS 45 6.681 8.322 -2.992 357 HA LYS 45 HA LYS 45 6.283 8.804 -5.748 358 1HB LYS 45 1HB LYS 45 8.369 9.999 -3.904 359 2HB LYS 45 2HB LYS 45 7.883 10.650 -5.471 360 1HG LYS 45 1HG LYS 45 5.876 11.431 -4.678 361 2HG LYS 45 2HG LYS 45 5.703 10.116 -3.516 362 1HD LYS 45 1HD LYS 45 6.171 11.864 -2.072 363 2HD LYS 45 2HD LYS 45 7.807 11.289 -2.394 364 1HE LYS 45 1HE LYS 45 7.914 12.962 -4.293 365 2HE LYS 45 2HE LYS 45 6.395 13.630 -3.695 366 1HZ LYS 45 1HZ LYS 45 8.892 13.370 -2.108 367 2HZ LYS 45 2HZ LYS 45 8.329 14.806 -2.814 368 3HZ LYS 45 3HZ LYS 45 7.434 14.063 -1.576 369 H ARG 46 H ARG 46 9.283 8.007 -4.000 370 HA ARG 46 HA ARG 46 10.260 6.655 -6.441 371 1HB ARG 46 1HB ARG 46 11.320 8.912 -6.079 372 2HB ARG 46 2HB ARG 46 11.986 8.274 -4.573 373 1HG ARG 46 1HG ARG 46 13.449 6.859 -5.656 374 2HG ARG 46 2HG ARG 46 12.391 6.662 -7.053 375 1HD ARG 46 1HD ARG 46 13.163 8.567 -8.083 376 2HD ARG 46 2HD ARG 46 13.492 9.385 -6.560 377 HE ARG 46 HE ARG 46 15.271 7.188 -6.906 378 1HH1 ARG 46 1HH1 ARG 46 14.633 10.429 -8.066 379 2HH1 ARG 46 2HH1 ARG 46 16.286 10.725 -8.484 380 1HH2 ARG 46 1HH2 ARG 46 17.413 7.617 -7.466 381 2HH2 ARG 46 2HH2 ARG 46 17.847 9.148 -8.147 382 H GLY 47 H GLY 47 9.380 6.186 -3.289 383 1HA GLY 47 1HA GLY 47 9.988 4.714 -1.617 384 2HA GLY 47 2HA GLY 47 11.570 4.570 -2.375 385 H ARG 48 H ARG 48 8.620 3.059 -1.778 386 HA ARG 48 HA ARG 48 8.768 1.203 -4.027 387 1HB ARG 48 1HB ARG 48 9.736 0.561 -1.295 388 2HB ARG 48 2HB ARG 48 8.719 -0.656 -2.065 389 1HG ARG 48 1HG ARG 48 10.305 -0.145 -4.146 390 2HG ARG 48 2HG ARG 48 11.420 0.344 -2.869 391 1HD ARG 48 1HD ARG 48 11.507 -1.792 -1.941 392 2HD ARG 48 2HD ARG 48 9.950 -2.260 -2.618 393 HE ARG 48 HE ARG 48 11.536 -1.891 -4.819 394 1HH1 ARG 48 1HH1 ARG 48 11.821 -3.788 -1.891 395 2HH1 ARG 48 2HH1 ARG 48 12.764 -5.024 -2.649 396 1HH2 ARG 48 1HH2 ARG 48 12.767 -3.525 -5.767 397 2HH2 ARG 48 2HH2 ARG 48 13.296 -4.878 -4.825 398 H GLN 49 H GLN 49 7.170 -0.772 -3.286 399 HA GLN 49 HA GLN 49 4.647 0.594 -2.638 400 1HB GLN 49 1HB GLN 49 5.358 -1.854 -4.213 401 2HB GLN 49 2HB GLN 49 3.753 -1.721 -3.502 402 1HG GLN 49 1HG GLN 49 3.280 -0.623 -5.452 403 2HG GLN 49 2HG GLN 49 3.982 0.750 -4.597 404 2HE2 GLN 49 2HE2 GLN 49 5.327 1.831 -6.042 405 1HE2 GLN 49 1HE2 GLN 49 6.432 1.079 -7.087 406 H VAL 50 H VAL 50 3.064 -0.605 -1.332 407 HA VAL 50 HA VAL 50 4.068 -2.702 0.419 408 HB VAL 50 HB VAL 50 3.235 -0.020 1.559 409 1HG1 VAL 50 1HG1 VAL 50 2.538 -1.990 2.912 410 2HG1 VAL 50 2HG1 VAL 50 4.214 -2.539 2.937 411 3HG1 VAL 50 3HG1 VAL 50 3.771 -1.025 3.726 412 1HG2 VAL 50 1HG2 VAL 50 5.906 -1.433 1.382 413 2HG2 VAL 50 2HG2 VAL 50 5.483 0.145 0.715 414 3HG2 VAL 50 3HG2 VAL 50 5.598 -0.072 2.462 415 H CYS 51 H CYS 51 2.458 -3.947 1.222 416 HA CYS 51 HA CYS 51 -0.242 -3.447 0.260 417 1HB CYS 51 1HB CYS 51 0.925 -5.728 1.878 418 2HB CYS 51 2HB CYS 51 -0.732 -5.665 1.279 419 H ALA 52 H ALA 52 -1.878 -2.636 1.448 420 HA ALA 52 HA ALA 52 -1.741 -2.735 4.368 421 1HB ALA 52 1HB ALA 52 -0.812 -0.658 4.396 422 2HB ALA 52 2HB ALA 52 -2.474 -0.142 4.114 423 3HB ALA 52 3HB ALA 52 -1.352 -0.280 2.761 424 H ASP 53 H ASP 53 -3.708 -2.875 5.289 425 HA ASP 53 HA ASP 53 -6.027 -2.934 3.497 426 1HB ASP 53 1HB ASP 53 -5.391 -4.073 6.181 427 2HB ASP 53 2HB ASP 53 -7.079 -3.720 5.813 428 H LYS 54 H LYS 54 -7.764 -1.594 3.681 429 HA LYS 54 HA LYS 54 -7.409 0.984 4.741 430 1HB LYS 54 1HB LYS 54 -9.860 1.256 4.351 431 2HB LYS 54 2HB LYS 54 -9.005 0.595 2.957 432 1HG LYS 54 1HG LYS 54 -9.750 -1.636 3.454 433 2HG LYS 54 2HG LYS 54 -10.390 -1.135 5.020 434 1HD LYS 54 1HD LYS 54 -11.867 0.502 3.637 435 2HD LYS 54 2HD LYS 54 -11.464 -0.537 2.270 436 1HE LYS 54 1HE LYS 54 -12.216 -2.502 3.732 437 2HE LYS 54 2HE LYS 54 -12.907 -1.295 4.815 438 1HZ LYS 54 1HZ LYS 54 -14.023 -0.394 2.726 439 2HZ LYS 54 2HZ LYS 54 -13.631 -1.887 2.014 440 3HZ LYS 54 3HZ LYS 54 -14.634 -1.839 3.380 441 H SER 55 H SER 55 -8.628 -1.949 6.185 442 HA SER 55 HA SER 55 -10.131 -0.922 8.308 443 1HB SER 55 1HB SER 55 -9.086 -3.086 9.476 444 2HB SER 55 2HB SER 55 -10.327 -3.203 8.233 445 HG SER 55 HG SER 55 -7.782 -4.067 8.194 446 H LYS 56 H LYS 56 -6.678 -1.033 7.811 447 HA LYS 56 HA LYS 56 -5.783 -0.739 10.462 448 1HB LYS 56 1HB LYS 56 -4.666 -0.113 7.770 449 2HB LYS 56 2HB LYS 56 -3.891 0.629 9.171 450 1HG LYS 56 1HG LYS 56 -4.525 -2.314 9.171 451 2HG LYS 56 2HG LYS 56 -3.062 -1.718 8.384 452 1HD LYS 56 1HD LYS 56 -2.130 -0.963 10.381 453 2HD LYS 56 2HD LYS 56 -3.699 -0.805 11.171 454 1HE LYS 56 1HE LYS 56 -2.622 -2.731 12.133 455 2HE LYS 56 2HE LYS 56 -3.894 -3.329 11.068 456 1HZ LYS 56 1HZ LYS 56 -1.144 -2.946 10.072 457 2HZ LYS 56 2HZ LYS 56 -1.576 -4.367 10.897 458 3HZ LYS 56 3HZ LYS 56 -2.370 -3.948 9.459 459 H ASP 57 H ASP 57 -4.435 1.467 10.897 460 HA ASP 57 HA ASP 57 -6.514 3.552 10.986 461 1HB ASP 57 1HB ASP 57 -4.097 2.955 12.671 462 2HB ASP 57 2HB ASP 57 -4.816 4.567 12.676 463 H TRP 58 H TRP 58 -2.962 3.370 10.620 464 HA TRP 58 HA TRP 58 -2.727 5.973 9.547 465 1HB TRP 58 1HB TRP 58 -0.476 5.246 8.768 466 2HB TRP 58 2HB TRP 58 -0.770 4.927 10.473 467 HD1 TRP 58 HD1 TRP 58 -1.058 2.399 11.231 468 HE1 TRP 58 HE1 TRP 58 -0.346 0.188 10.116 469 HE3 TRP 58 HE3 TRP 58 -0.248 4.038 6.476 470 HZ2 TRP 58 HZ2 TRP 58 0.462 -0.768 7.523 471 HZ3 TRP 58 HZ3 TRP 58 0.492 2.473 4.703 472 HH2 TRP 58 HH2 TRP 58 0.849 0.076 5.221 473 H VAL 59 H VAL 59 -3.498 2.895 8.104 474 HA VAL 59 HA VAL 59 -2.989 3.620 5.392 475 HB VAL 59 HB VAL 59 -4.991 1.611 6.467 476 1HG1 VAL 59 1HG1 VAL 59 -3.792 2.171 3.761 477 2HG1 VAL 59 2HG1 VAL 59 -4.338 0.547 4.176 478 3HG1 VAL 59 3HG1 VAL 59 -5.480 1.890 4.184 479 1HG2 VAL 59 1HG2 VAL 59 -2.697 1.217 7.311 480 2HG2 VAL 59 2HG2 VAL 59 -3.180 -0.030 6.160 481 3HG2 VAL 59 3HG2 VAL 59 -2.088 1.260 5.656 482 H LYS 60 H LYS 60 -5.706 3.939 7.588 483 HA LYS 60 HA LYS 60 -7.645 4.763 5.689 484 1HB LYS 60 1HB LYS 60 -7.961 4.014 8.158 485 2HB LYS 60 2HB LYS 60 -7.627 5.701 8.547 486 1HG LYS 60 1HG LYS 60 -9.426 6.286 6.802 487 2HG LYS 60 2HG LYS 60 -9.887 4.585 6.882 488 1HD LYS 60 1HD LYS 60 -10.110 4.841 9.380 489 2HD LYS 60 2HD LYS 60 -9.857 6.574 9.168 490 1HE LYS 60 1HE LYS 60 -12.217 6.304 9.188 491 2HE LYS 60 2HE LYS 60 -11.797 6.483 7.484 492 1HZ LYS 60 1HZ LYS 60 -11.989 3.830 8.776 493 2HZ LYS 60 2HZ LYS 60 -13.345 4.592 8.099 494 3HZ LYS 60 3HZ LYS 60 -12.013 4.201 7.118 495 H LYS 61 H LYS 61 -5.399 6.547 7.778 496 HA LYS 61 HA LYS 61 -6.261 9.146 7.112 497 1HB LYS 61 1HB LYS 61 -3.676 8.015 8.144 498 2HB LYS 61 2HB LYS 61 -3.778 9.715 7.686 499 1HG LYS 61 1HG LYS 61 -5.965 8.645 9.403 500 2HG LYS 61 2HG LYS 61 -4.387 8.869 10.160 501 1HD LYS 61 1HD LYS 61 -5.343 10.971 10.478 502 2HD LYS 61 2HD LYS 61 -4.473 11.215 8.963 503 1HE LYS 61 1HE LYS 61 -6.408 11.203 7.688 504 2HE LYS 61 2HE LYS 61 -7.284 10.194 8.840 505 1HZ LYS 61 1HZ LYS 61 -7.359 12.070 10.364 506 2HZ LYS 61 2HZ LYS 61 -6.534 13.038 9.244 507 3HZ LYS 61 3HZ LYS 61 -8.090 12.464 8.882 508 H LEU 62 H LEU 62 -3.692 7.122 5.707 509 HA LEU 62 HA LEU 62 -2.872 8.990 3.738 510 1HB LEU 62 1HB LEU 62 -2.740 5.980 3.762 511 2HB LEU 62 2HB LEU 62 -1.974 6.986 2.553 512 HG LEU 62 HG LEU 62 -1.318 7.418 5.445 513 1HD1 LEU 62 1HD1 LEU 62 -1.198 4.934 4.810 514 2HD1 LEU 62 2HD1 LEU 62 0.091 5.394 3.699 515 3HD1 LEU 62 3HD1 LEU 62 0.283 5.659 5.433 516 1HD2 LEU 62 1HD2 LEU 62 -0.111 7.920 2.746 517 2HD2 LEU 62 2HD2 LEU 62 -0.235 9.004 4.132 518 3HD2 LEU 62 3HD2 LEU 62 0.969 7.715 4.125 519 H MET 63 H MET 63 -5.165 6.301 3.697 520 HA MET 63 HA MET 63 -5.907 6.380 1.002 521 1HB MET 63 1HB MET 63 -7.274 5.492 3.510 522 2HB MET 63 2HB MET 63 -8.208 5.589 2.017 523 1HG MET 63 1HG MET 63 -6.282 4.257 0.937 524 2HG MET 63 2HG MET 63 -5.764 3.909 2.585 525 1HE MET 63 1HE MET 63 -6.911 2.514 -0.105 526 2HE MET 63 2HE MET 63 -8.288 1.441 0.184 527 3HE MET 63 3HE MET 63 -8.555 3.140 -0.195 528 H GLN 64 H GLN 64 -6.884 8.393 3.700 529 HA GLN 64 HA GLN 64 -8.923 9.757 2.108 530 1HB GLN 64 1HB GLN 64 -9.175 9.245 4.597 531 2HB GLN 64 2HB GLN 64 -7.981 10.515 4.874 532 1HG GLN 64 1HG GLN 64 -9.438 12.081 3.550 533 2HG GLN 64 2HG GLN 64 -10.664 10.813 3.498 534 2HE2 GLN 64 2HE2 GLN 64 -12.162 10.929 5.164 535 1HE2 GLN 64 1HE2 GLN 64 -11.883 11.639 6.681 536 H GLN 65 H GLN 65 -5.663 10.221 3.299 537 HA GLN 65 HA GLN 65 -5.502 13.020 2.707 538 1HB GLN 65 1HB GLN 65 -3.568 10.874 3.465 539 2HB GLN 65 2HB GLN 65 -2.938 12.363 2.762 540 1HG GLN 65 1HG GLN 65 -4.990 12.783 4.843 541 2HG GLN 65 2HG GLN 65 -3.514 12.018 5.427 542 2HE2 GLN 65 2HE2 GLN 65 -1.961 13.501 6.071 543 1HE2 GLN 65 1HE2 GLN 65 -1.774 15.063 5.431 544 H LEU 66 H LEU 66 -4.818 10.047 0.964 545 HA LEU 66 HA LEU 66 -3.870 11.611 -1.354 546 1HB LEU 66 1HB LEU 66 -3.805 8.621 -1.126 547 2HB LEU 66 2HB LEU 66 -2.851 9.657 -2.164 548 HG LEU 66 HG LEU 66 -2.560 9.414 0.840 549 1HD1 LEU 66 1HD1 LEU 66 -1.763 7.585 -0.971 550 2HD1 LEU 66 2HD1 LEU 66 -0.398 8.697 -1.077 551 3HD1 LEU 66 3HD1 LEU 66 -0.820 7.962 0.470 552 1HD2 LEU 66 1HD2 LEU 66 -1.998 11.627 -0.598 553 2HD2 LEU 66 2HD2 LEU 66 -1.001 11.103 0.761 554 3HD2 LEU 66 3HD2 LEU 66 -0.516 10.718 -0.891 555 HA PRO 67 HA PRO 67 -7.647 10.681 -3.432 556 1HB PRO 67 1HB PRO 67 -6.839 10.812 -6.045 557 2HB PRO 67 2HB PRO 67 -7.059 12.226 -5.007 558 1HG PRO 67 1HG PRO 67 -4.555 10.960 -5.943 559 2HG PRO 67 2HG PRO 67 -4.858 12.632 -5.454 560 1HD PRO 67 1HD PRO 67 -3.601 10.624 -3.891 561 2HD PRO 67 2HD PRO 67 -4.148 12.219 -3.324 562 H VAL 68 H VAL 68 -5.427 9.192 -5.765 563 HA VAL 68 HA VAL 68 -5.515 6.535 -5.067 564 HB VAL 68 HB VAL 68 -8.103 7.452 -6.160 565 1HG1 VAL 68 1HG1 VAL 68 -7.236 6.397 -8.231 566 2HG1 VAL 68 2HG1 VAL 68 -6.892 4.925 -7.323 567 3HG1 VAL 68 3HG1 VAL 68 -8.558 5.465 -7.528 568 1HG2 VAL 68 1HG2 VAL 68 -7.010 5.481 -4.307 569 2HG2 VAL 68 2HG2 VAL 68 -8.598 6.245 -4.325 570 3HG2 VAL 68 3HG2 VAL 68 -8.302 4.804 -5.295 571 H THR 69 H THR 69 -4.937 5.099 -6.915 572 HA THR 69 HA THR 69 -4.027 6.509 -9.316 573 HB THR 69 HB THR 69 -2.096 6.657 -7.843 574 HG1 THR 69 HG1 THR 69 -1.715 4.515 -9.654 575 1HG2 THR 69 1HG2 THR 69 -3.018 4.409 -6.656 576 2HG2 THR 69 2HG2 THR 69 -1.759 3.714 -7.677 577 3HG2 THR 69 3HG2 THR 69 -1.351 4.962 -6.501 578 H ALA 70 H ALA 70 -3.954 5.242 -11.120 579 HA ALA 70 HA ALA 70 -3.819 2.414 -11.134 580 1HB ALA 70 1HB ALA 70 -6.006 1.703 -11.327 581 2HB ALA 70 2HB ALA 70 -6.218 3.030 -10.186 582 3HB ALA 70 3HB ALA 70 -6.579 3.271 -11.895 583 H ARG 71 H ARG 71 -2.437 2.719 -12.844 584 HA ARG 71 HA ARG 71 -3.252 4.260 -15.166 585 1HB ARG 71 1HB ARG 71 -0.792 2.775 -14.341 586 2HB ARG 71 2HB ARG 71 -1.051 3.089 -16.058 587 1HG ARG 71 1HG ARG 71 -1.307 5.280 -13.996 588 2HG ARG 71 2HG ARG 71 0.246 4.875 -14.727 589 1HD ARG 71 1HD ARG 71 -0.626 5.319 -16.949 590 2HD ARG 71 2HD ARG 71 -2.244 5.569 -16.304 591 HE ARG 71 HE ARG 71 -0.083 7.477 -16.313 592 1HH1 ARG 71 1HH1 ARG 71 -2.998 6.470 -14.656 593 2HH1 ARG 71 2HH1 ARG 71 -3.297 8.039 -13.992 594 1HH2 ARG 71 1HH2 ARG 71 -0.511 9.506 -15.426 595 2HH2 ARG 71 2HH2 ARG 71 -1.903 9.744 -14.423 No H/Q in entry = 595 Start of MODEL 13 1 H1 LEU 1 H1 LEU 1 0.313 -14.318 -15.801 2 H2 LEU 1 H2 LEU 1 -1.013 -13.525 -15.094 3 H3 LEU 1 H3 LEU 1 -0.918 -15.218 -15.052 4 HA LEU 1 HA LEU 1 -1.469 -15.468 -17.255 5 1HB LEU 1 1HB LEU 1 -2.869 -13.094 -16.040 6 2HB LEU 1 2HB LEU 1 -3.280 -13.629 -17.670 7 HG LEU 1 HG LEU 1 -3.504 -15.986 -16.631 8 1HD1 LEU 1 1HD1 LEU 1 -3.120 -14.242 -14.248 9 2HD1 LEU 1 2HD1 LEU 1 -4.363 -15.487 -14.128 10 3HD1 LEU 1 3HD1 LEU 1 -2.694 -15.937 -14.481 11 1HD2 LEU 1 1HD2 LEU 1 -5.344 -14.249 -17.313 12 2HD2 LEU 1 2HD2 LEU 1 -5.801 -15.627 -16.311 13 3HD2 LEU 1 3HD2 LEU 1 -5.548 -14.045 -15.573 14 H GLY 2 H GLY 2 -1.293 -11.917 -16.978 15 1HA GLY 2 1HA GLY 2 -0.493 -10.327 -18.451 16 2HA GLY 2 2HA GLY 2 -0.449 -11.581 -19.688 17 H ALA 3 H ALA 3 1.192 -11.800 -16.591 18 HA ALA 3 HA ALA 3 3.786 -11.555 -17.999 19 1HB ALA 3 1HB ALA 3 4.729 -10.496 -16.156 20 2HB ALA 3 2HB ALA 3 3.098 -9.828 -16.145 21 3HB ALA 3 3HB ALA 3 3.523 -11.137 -15.041 22 H SER 4 H SER 4 5.520 -12.575 -16.297 23 HA SER 4 HA SER 4 4.896 -15.401 -16.313 24 1HB SER 4 1HB SER 4 7.274 -15.432 -15.192 25 2HB SER 4 2HB SER 4 7.111 -15.072 -16.908 26 HG SER 4 HG SER 4 7.488 -12.984 -16.519 27 H TRP 5 H TRP 5 6.361 -13.412 -13.764 28 HA TRP 5 HA TRP 5 4.531 -14.665 -11.812 29 1HB TRP 5 1HB TRP 5 6.449 -14.764 -10.204 30 2HB TRP 5 2HB TRP 5 6.628 -15.850 -11.582 31 HD1 TRP 5 HD1 TRP 5 8.598 -15.439 -13.220 32 HE1 TRP 5 HE1 TRP 5 10.587 -13.800 -13.247 33 HE3 TRP 5 HE3 TRP 5 7.159 -12.247 -9.503 34 HZ2 TRP 5 HZ2 TRP 5 11.453 -11.445 -11.873 35 HZ3 TRP 5 HZ3 TRP 5 8.583 -10.316 -8.883 36 HH2 TRP 5 HH2 TRP 5 10.727 -9.911 -10.062 37 H HIS 6 H HIS 6 3.815 -13.355 -10.192 38 HA HIS 6 HA HIS 6 5.007 -10.937 -9.366 39 1HB HIS 6 1HB HIS 6 3.350 -9.342 -10.358 40 2HB HIS 6 2HB HIS 6 4.448 -10.047 -11.543 41 HD1 HIS 6 HD1 HIS 6 2.055 -9.136 -12.894 42 HD2 HIS 6 HD2 HIS 6 2.034 -12.809 -10.922 43 HE1 HIS 6 HE1 HIS 6 0.150 -10.474 -13.891 44 H ARG 7 H ARG 7 4.386 -12.082 -7.440 45 HA ARG 7 HA ARG 7 3.055 -12.401 -5.593 46 1HB ARG 7 1HB ARG 7 1.202 -10.397 -6.900 47 2HB ARG 7 2HB ARG 7 1.260 -10.831 -5.191 48 1HG ARG 7 1HG ARG 7 3.729 -10.076 -5.276 49 2HG ARG 7 2HG ARG 7 3.304 -9.305 -6.804 50 1HD ARG 7 1HD ARG 7 2.790 -7.553 -5.424 51 2HD ARG 7 2HD ARG 7 1.260 -8.414 -5.299 52 HE ARG 7 HE ARG 7 2.767 -9.501 -3.297 53 1HH1 ARG 7 1HH1 ARG 7 1.925 -6.225 -4.196 54 2HH1 ARG 7 2HH1 ARG 7 1.992 -5.641 -2.569 55 1HH2 ARG 7 1HH2 ARG 7 2.843 -8.699 -1.192 56 2HH2 ARG 7 2HH2 ARG 7 2.507 -7.029 -0.881 57 HA PRO 8 HA PRO 8 -0.010 -15.329 -6.839 58 1HB PRO 8 1HB PRO 8 -1.393 -15.659 -4.505 59 2HB PRO 8 2HB PRO 8 0.239 -16.289 -4.779 60 1HG PRO 8 1HG PRO 8 -0.636 -13.996 -3.125 61 2HG PRO 8 2HG PRO 8 0.805 -15.011 -2.974 62 1HD PRO 8 1HD PRO 8 0.683 -12.402 -4.096 63 2HD PRO 8 2HD PRO 8 2.066 -13.519 -4.151 64 H ASP 9 H ASP 9 -1.570 -14.732 -8.245 65 HA ASP 9 HA ASP 9 -3.546 -13.912 -9.084 66 1HB ASP 9 1HB ASP 9 -4.367 -13.911 -6.169 67 2HB ASP 9 2HB ASP 9 -5.459 -13.769 -7.548 68 H LYS 10 H LYS 10 -1.382 -12.076 -8.250 69 HA LYS 10 HA LYS 10 -0.995 -9.815 -8.133 70 1HB LYS 10 1HB LYS 10 -3.704 -10.007 -9.361 71 2HB LYS 10 2HB LYS 10 -3.169 -8.425 -8.795 72 1HG LYS 10 1HG LYS 10 -1.209 -10.021 -10.372 73 2HG LYS 10 2HG LYS 10 -2.577 -9.338 -11.254 74 1HD LYS 10 1HD LYS 10 -2.049 -7.103 -10.385 75 2HD LYS 10 2HD LYS 10 -0.707 -7.769 -9.454 76 1HE LYS 10 1HE LYS 10 0.385 -7.002 -11.372 77 2HE LYS 10 2HE LYS 10 0.092 -8.693 -11.776 78 1HZ LYS 10 1HZ LYS 10 -2.069 -7.856 -12.780 79 2HZ LYS 10 2HZ LYS 10 -1.392 -6.304 -12.684 80 3HZ LYS 10 3HZ LYS 10 -0.638 -7.502 -13.624 81 H CYS 11 H CYS 11 -2.115 -11.299 -5.775 82 HA CYS 11 HA CYS 11 -3.116 -8.931 -4.310 83 1HB CYS 11 1HB CYS 11 -3.960 -11.818 -3.962 84 2HB CYS 11 2HB CYS 11 -4.405 -10.507 -2.870 85 H CYS 12 H CYS 12 -2.973 -9.622 -1.796 86 HA CYS 12 HA CYS 12 -0.492 -11.034 -1.208 87 1HB CYS 12 1HB CYS 12 0.433 -9.094 0.068 88 2HB CYS 12 2HB CYS 12 0.388 -8.827 -1.674 89 H LEU 13 H LEU 13 -0.890 -12.242 0.507 90 HA LEU 13 HA LEU 13 -3.197 -11.838 2.160 91 1HB LEU 13 1HB LEU 13 -2.204 -13.712 3.507 92 2HB LEU 13 2HB LEU 13 -2.549 -14.080 1.831 93 HG LEU 13 HG LEU 13 0.212 -13.151 2.391 94 1HD1 LEU 13 1HD1 LEU 13 -0.348 -14.624 4.354 95 2HD1 LEU 13 2HD1 LEU 13 -0.694 -15.924 3.214 96 3HD1 LEU 13 3HD1 LEU 13 0.936 -15.263 3.328 97 1HD2 LEU 13 1HD2 LEU 13 -1.043 -14.217 0.249 98 2HD2 LEU 13 2HD2 LEU 13 0.684 -14.425 0.539 99 3HD2 LEU 13 3HD2 LEU 13 -0.447 -15.698 0.997 100 H GLY 14 H GLY 14 0.227 -11.139 2.422 101 1HA GLY 14 1HA GLY 14 1.422 -10.447 4.368 102 2HA GLY 14 2HA GLY 14 -0.116 -10.190 5.188 103 H TYR 15 H TYR 15 0.527 -8.085 5.798 104 HA TYR 15 HA TYR 15 0.589 -6.127 3.577 105 1HB TYR 15 1HB TYR 15 -0.747 -5.868 6.283 106 2HB TYR 15 2HB TYR 15 -0.589 -4.558 5.112 107 HD1 TYR 15 HD1 TYR 15 -1.908 -8.038 5.494 108 HD2 TYR 15 HD2 TYR 15 -2.158 -4.309 3.378 109 HE1 TYR 15 HE1 TYR 15 -3.931 -8.845 4.307 110 HE2 TYR 15 HE2 TYR 15 -4.181 -5.114 2.192 111 HH TYR 15 HH TYR 15 -6.030 -7.527 3.147 112 H GLN 16 H GLN 16 1.236 -3.859 4.767 113 HA GLN 16 HA GLN 16 3.987 -4.053 5.277 114 1HB GLN 16 1HB GLN 16 2.400 -1.976 4.701 115 2HB GLN 16 2HB GLN 16 2.513 -1.744 6.441 116 1HG GLN 16 1HG GLN 16 4.897 -2.092 4.599 117 2HG GLN 16 2HG GLN 16 4.309 -0.537 5.186 118 2HE2 GLN 16 2HE2 GLN 16 6.283 -3.263 5.973 119 1HE2 GLN 16 1HE2 GLN 16 6.628 -2.821 7.576 120 H LYS 17 H LYS 17 1.254 -3.676 7.484 121 HA LYS 17 HA LYS 17 0.999 -4.439 9.659 122 1HB LYS 17 1HB LYS 17 2.928 -6.073 9.181 123 2HB LYS 17 2HB LYS 17 3.967 -4.866 9.940 124 1HG LYS 17 1HG LYS 17 3.364 -6.244 11.746 125 2HG LYS 17 2HG LYS 17 2.215 -4.911 11.868 126 1HD LYS 17 1HD LYS 17 0.708 -6.639 11.966 127 2HD LYS 17 2HD LYS 17 0.826 -6.517 10.210 128 1HE LYS 17 1HE LYS 17 2.449 -8.301 10.124 129 2HE LYS 17 2HE LYS 17 2.586 -8.330 11.882 130 1HZ LYS 17 1HZ LYS 17 0.014 -8.810 10.505 131 2HZ LYS 17 2HZ LYS 17 1.112 -10.068 10.816 132 3HZ LYS 17 3HZ LYS 17 0.438 -9.187 12.102 133 H ARG 18 H ARG 18 3.860 -2.440 8.990 134 HA ARG 18 HA ARG 18 3.279 -0.873 11.412 135 1HB ARG 18 1HB ARG 18 5.720 -1.355 9.773 136 2HB ARG 18 2HB ARG 18 5.555 0.227 10.535 137 1HG ARG 18 1HG ARG 18 5.213 -0.848 12.722 138 2HG ARG 18 2HG ARG 18 5.347 -2.437 11.969 139 1HD ARG 18 1HD ARG 18 7.504 -1.987 12.861 140 2HD ARG 18 2HD ARG 18 7.643 -1.689 11.132 141 HE ARG 18 HE ARG 18 8.061 0.538 11.612 142 1HH1 ARG 18 1HH1 ARG 18 6.569 -0.982 14.390 143 2HH1 ARG 18 2HH1 ARG 18 6.774 0.405 15.402 144 1HH2 ARG 18 1HH2 ARG 18 8.309 2.324 12.966 145 2HH2 ARG 18 2HH2 ARG 18 7.751 2.263 14.604 146 HA PRO 19 HA PRO 19 1.822 2.446 8.896 147 1HB PRO 19 1HB PRO 19 2.270 4.568 10.557 148 2HB PRO 19 2HB PRO 19 0.999 3.365 10.815 149 1HG PRO 19 1HG PRO 19 3.522 3.755 12.283 150 2HG PRO 19 2HG PRO 19 2.035 2.945 12.795 151 1HD PRO 19 1HD PRO 19 4.456 1.712 11.875 152 2HD PRO 19 2HD PRO 19 2.924 0.909 12.292 153 H LEU 20 H LEU 20 2.519 3.733 7.274 154 HA LEU 20 HA LEU 20 5.368 4.511 7.269 155 1HB LEU 20 1HB LEU 20 3.767 4.680 4.781 156 2HB LEU 20 2HB LEU 20 5.437 4.216 5.008 157 HG LEU 20 HG LEU 20 3.001 2.486 5.501 158 1HD1 LEU 20 1HD1 LEU 20 4.078 3.070 3.117 159 2HD1 LEU 20 2HD1 LEU 20 5.201 1.801 3.606 160 3HD1 LEU 20 3HD1 LEU 20 3.475 1.456 3.496 161 1HD2 LEU 20 1HD2 LEU 20 5.345 2.329 6.898 162 2HD2 LEU 20 2HD2 LEU 20 4.329 0.938 6.526 163 3HD2 LEU 20 3HD2 LEU 20 5.720 1.310 5.510 164 HA PRO 21 HA PRO 21 4.029 8.737 7.330 165 1HB PRO 21 1HB PRO 21 6.333 9.945 6.493 166 2HB PRO 21 2HB PRO 21 6.123 9.236 8.103 167 1HG PRO 21 1HG PRO 21 7.701 8.240 5.814 168 2HG PRO 21 2HG PRO 21 7.893 7.915 7.542 169 1HD PRO 21 1HD PRO 21 6.688 6.204 5.598 170 2HD PRO 21 2HD PRO 21 6.734 5.960 7.360 171 H GLN 22 H GLN 22 2.873 9.986 5.970 172 HA GLN 22 HA GLN 22 2.833 9.508 3.150 173 1HB GLN 22 1HB GLN 22 0.887 10.299 4.590 174 2HB GLN 22 2HB GLN 22 1.639 11.893 4.562 175 1HG GLN 22 1HG GLN 22 1.358 10.547 1.930 176 2HG GLN 22 2HG GLN 22 -0.143 11.066 2.696 177 2HE2 GLN 22 2HE2 GLN 22 1.206 12.248 0.292 178 1HE2 GLN 22 1HE2 GLN 22 1.487 13.875 0.685 179 H VAL 23 H VAL 23 4.879 11.391 5.104 180 HA VAL 23 HA VAL 23 5.348 13.719 3.707 181 HB VAL 23 HB VAL 23 6.376 13.148 5.876 182 1HG1 VAL 23 1HG1 VAL 23 7.012 10.762 4.799 183 2HG1 VAL 23 2HG1 VAL 23 8.546 11.599 4.557 184 3HG1 VAL 23 3HG1 VAL 23 7.875 11.441 6.180 185 1HG2 VAL 23 1HG2 VAL 23 7.352 14.887 4.286 186 2HG2 VAL 23 2HG2 VAL 23 8.463 14.249 5.498 187 3HG2 VAL 23 3HG2 VAL 23 8.545 13.669 3.834 188 H LEU 24 H LEU 24 6.140 10.464 2.747 189 HA LEU 24 HA LEU 24 7.461 11.579 0.352 190 1HB LEU 24 1HB LEU 24 9.169 10.011 0.367 191 2HB LEU 24 2HB LEU 24 9.054 10.537 2.026 192 HG LEU 24 HG LEU 24 9.389 8.234 2.198 193 1HD1 LEU 24 1HD1 LEU 24 7.341 9.035 3.444 194 2HD1 LEU 24 2HD1 LEU 24 6.368 8.381 2.127 195 3HD1 LEU 24 3HD1 LEU 24 7.368 7.306 3.101 196 1HD2 LEU 24 1HD2 LEU 24 8.714 8.080 -0.395 197 2HD2 LEU 24 2HD2 LEU 24 8.784 6.655 0.642 198 3HD2 LEU 24 3HD2 LEU 24 7.234 7.427 0.305 199 H LEU 25 H LEU 25 4.806 9.912 1.377 200 HA LEU 25 HA LEU 25 4.736 7.826 -0.593 201 1HB LEU 25 1HB LEU 25 3.370 8.233 1.676 202 2HB LEU 25 2HB LEU 25 2.225 8.920 0.546 203 HG LEU 25 HG LEU 25 2.004 6.809 -0.605 204 1HD1 LEU 25 1HD1 LEU 25 4.465 6.165 0.947 205 2HD1 LEU 25 2HD1 LEU 25 3.314 4.851 0.705 206 3HD1 LEU 25 3HD1 LEU 25 4.007 5.682 -0.686 207 1HD2 LEU 25 1HD2 LEU 25 1.776 6.909 2.369 208 2HD2 LEU 25 2HD2 LEU 25 0.515 6.709 1.152 209 3HD2 LEU 25 3HD2 LEU 25 1.542 5.344 1.591 210 H SER 26 H SER 26 2.796 7.775 -2.155 211 HA SER 26 HA SER 26 2.499 10.427 -3.436 212 1HB SER 26 1HB SER 26 4.035 8.508 -4.519 213 2HB SER 26 2HB SER 26 2.474 8.013 -5.166 214 HG SER 26 HG SER 26 3.527 9.538 -6.510 215 H SER 27 H SER 27 1.205 7.128 -3.908 216 HA SER 27 HA SER 27 -1.487 8.009 -3.250 217 1HB SER 27 1HB SER 27 -0.559 7.790 -6.025 218 2HB SER 27 2HB SER 27 -2.020 6.868 -5.693 219 HG SER 27 HG SER 27 -2.135 9.247 -6.268 220 H TRP 28 H TRP 28 -2.992 6.030 -4.184 221 HA TRP 28 HA TRP 28 -1.686 3.464 -3.597 222 1HB TRP 28 1HB TRP 28 -3.596 2.871 -2.059 223 2HB TRP 28 2HB TRP 28 -2.493 4.084 -1.416 224 HD1 TRP 28 HD1 TRP 28 -3.331 6.617 -1.352 225 HE1 TRP 28 HE1 TRP 28 -5.699 7.638 -1.353 226 HE3 TRP 28 HE3 TRP 28 -6.038 2.575 -2.925 227 HZ2 TRP 28 HZ2 TRP 28 -8.382 6.842 -1.954 228 HZ3 TRP 28 HZ3 TRP 28 -8.491 2.738 -3.204 229 HH2 TRP 28 HH2 TRP 28 -9.667 4.865 -2.718 230 H TYR 29 H TYR 29 -2.582 1.756 -4.681 231 HA TYR 29 HA TYR 29 -5.017 2.340 -6.249 232 1HB TYR 29 1HB TYR 29 -4.155 1.149 -8.129 233 2HB TYR 29 2HB TYR 29 -2.894 2.263 -7.619 234 HD1 TYR 29 HD1 TYR 29 -0.935 1.376 -6.248 235 HD2 TYR 29 HD2 TYR 29 -3.820 -1.202 -8.120 236 HE1 TYR 29 HE1 TYR 29 0.632 -0.530 -6.046 237 HE2 TYR 29 HE2 TYR 29 -2.250 -3.108 -7.913 238 HH TYR 29 HH TYR 29 -0.274 -3.700 -6.360 239 HA PRO 30 HA PRO 30 -6.496 -1.349 -4.255 240 1HB PRO 30 1HB PRO 30 -8.827 -1.648 -5.645 241 2HB PRO 30 2HB PRO 30 -8.582 -0.422 -4.392 242 1HG PRO 30 1HG PRO 30 -8.735 -0.100 -7.326 243 2HG PRO 30 2HG PRO 30 -9.066 1.074 -6.044 244 1HD PRO 30 1HD PRO 30 -6.704 0.900 -7.634 245 2HD PRO 30 2HD PRO 30 -6.968 1.948 -6.221 246 H THR 31 H THR 31 -6.469 -3.557 -4.537 247 HA THR 31 HA THR 31 -5.686 -4.523 -7.207 248 HB THR 31 HB THR 31 -4.117 -5.108 -5.462 249 HG1 THR 31 HG1 THR 31 -4.006 -7.169 -5.988 250 1HG2 THR 31 1HG2 THR 31 -6.621 -5.796 -4.011 251 2HG2 THR 31 2HG2 THR 31 -5.211 -6.806 -3.696 252 3HG2 THR 31 3HG2 THR 31 -5.133 -5.068 -3.404 253 H SER 32 H SER 32 -6.385 -6.933 -7.502 254 HA SER 32 HA SER 32 -9.186 -6.959 -7.873 255 1HB SER 32 1HB SER 32 -7.216 -8.414 -8.939 256 2HB SER 32 2HB SER 32 -7.727 -9.549 -7.693 257 HG SER 32 HG SER 32 -9.461 -8.272 -9.547 258 H GLN 33 H GLN 33 -10.830 -8.041 -6.806 259 HA GLN 33 HA GLN 33 -10.211 -8.789 -4.015 260 1HB GLN 33 1HB GLN 33 -11.877 -6.880 -4.603 261 2HB GLN 33 2HB GLN 33 -12.977 -8.192 -5.027 262 1HG GLN 33 1HG GLN 33 -12.607 -9.183 -2.766 263 2HG GLN 33 2HG GLN 33 -11.615 -7.783 -2.349 264 2HE2 GLN 33 2HE2 GLN 33 -14.514 -8.847 -1.576 265 1HE2 GLN 33 1HE2 GLN 33 -15.438 -7.424 -1.634 266 H LEU 34 H LEU 34 -9.962 -10.538 -6.401 267 HA LEU 34 HA LEU 34 -11.968 -12.585 -5.661 268 1HB LEU 34 1HB LEU 34 -11.607 -13.510 -7.929 269 2HB LEU 34 2HB LEU 34 -12.324 -11.913 -7.931 270 HG LEU 34 HG LEU 34 -9.731 -11.222 -8.193 271 1HD1 LEU 34 1HD1 LEU 34 -9.991 -14.068 -9.067 272 2HD1 LEU 34 2HD1 LEU 34 -8.985 -12.983 -10.027 273 3HD1 LEU 34 3HD1 LEU 34 -8.622 -13.244 -8.322 274 1HD2 LEU 34 1HD2 LEU 34 -11.668 -12.114 -10.341 275 2HD2 LEU 34 2HD2 LEU 34 -11.462 -10.484 -9.698 276 3HD2 LEU 34 3HD2 LEU 34 -10.188 -11.214 -10.675 277 H CYS 35 H CYS 35 -9.444 -12.088 -4.340 278 HA CYS 35 HA CYS 35 -7.821 -14.402 -5.173 279 1HB CYS 35 1HB CYS 35 -7.200 -12.055 -3.371 280 2HB CYS 35 2HB CYS 35 -6.115 -13.427 -3.599 281 H SER 36 H SER 36 -8.412 -12.882 -2.025 282 HA SER 36 HA SER 36 -9.914 -14.937 -0.851 283 1HB SER 36 1HB SER 36 -8.005 -16.399 -1.138 284 2HB SER 36 2HB SER 36 -6.927 -15.198 -0.434 285 HG SER 36 HG SER 36 -7.451 -16.606 1.183 286 H LYS 37 H LYS 37 -7.321 -12.599 -0.384 287 HA LYS 37 HA LYS 37 -8.871 -11.151 1.569 288 1HB LYS 37 1HB LYS 37 -7.170 -11.323 3.383 289 2HB LYS 37 2HB LYS 37 -7.980 -12.856 3.058 290 1HG LYS 37 1HG LYS 37 -5.977 -13.225 1.387 291 2HG LYS 37 2HG LYS 37 -5.174 -12.021 2.395 292 1HD LYS 37 1HD LYS 37 -6.583 -14.336 3.692 293 2HD LYS 37 2HD LYS 37 -4.969 -14.565 3.018 294 1HE LYS 37 1HE LYS 37 -3.974 -13.161 4.558 295 2HE LYS 37 2HE LYS 37 -5.425 -12.179 4.758 296 1HZ LYS 37 1HZ LYS 37 -6.416 -14.249 5.816 297 2HZ LYS 37 2HZ LYS 37 -4.822 -14.830 5.918 298 3HZ LYS 37 3HZ LYS 37 -5.262 -13.397 6.720 299 HA PRO 38 HA PRO 38 -5.580 -8.801 -0.760 300 1HB PRO 38 1HB PRO 38 -7.205 -7.413 -2.459 301 2HB PRO 38 2HB PRO 38 -6.525 -9.004 -2.832 302 1HG PRO 38 1HG PRO 38 -9.300 -8.267 -2.133 303 2HG PRO 38 2HG PRO 38 -8.699 -9.663 -3.039 304 1HD PRO 38 1HD PRO 38 -9.533 -9.624 -0.310 305 2HD PRO 38 2HD PRO 38 -8.757 -10.972 -1.175 306 H GLY 39 H GLY 39 -5.959 -6.225 -1.447 307 1HA GLY 39 1HA GLY 39 -5.921 -4.768 0.906 308 2HA GLY 39 2HA GLY 39 -7.587 -4.699 0.336 309 H VAL 40 H VAL 40 -4.691 -3.133 0.261 310 HA VAL 40 HA VAL 40 -4.910 -2.143 -2.487 311 HB VAL 40 HB VAL 40 -5.003 -0.221 -0.153 312 1HG1 VAL 40 1HG1 VAL 40 -4.092 0.224 -2.649 313 2HG1 VAL 40 2HG1 VAL 40 -5.812 0.494 -2.918 314 3HG1 VAL 40 3HG1 VAL 40 -4.947 1.446 -1.712 315 1HG2 VAL 40 1HG2 VAL 40 -7.185 -1.391 -1.875 316 2HG2 VAL 40 2HG2 VAL 40 -7.136 -1.239 -0.118 317 3HG2 VAL 40 3HG2 VAL 40 -7.362 0.194 -1.121 318 H ILE 41 H ILE 41 -3.012 -1.421 -3.300 319 HA ILE 41 HA ILE 41 -0.678 -1.610 -1.514 320 HB ILE 41 HB ILE 41 -1.002 -1.997 -4.492 321 1HG1 ILE 41 1HG1 ILE 41 0.206 -4.158 -3.804 322 2HG1 ILE 41 2HG1 ILE 41 -0.142 -3.680 -2.143 323 1HG2 ILE 41 1HG2 ILE 41 1.061 -0.667 -4.123 324 2HG2 ILE 41 2HG2 ILE 41 1.603 -1.851 -2.932 325 3HG2 ILE 41 3HG2 ILE 41 1.443 -2.315 -4.626 326 1HD1 ILE 41 1HD1 ILE 41 -2.412 -3.576 -4.065 327 2HD1 ILE 41 2HD1 ILE 41 -1.847 -5.177 -3.590 328 3HD1 ILE 41 3HD1 ILE 41 -2.400 -4.038 -2.363 329 H PHE 42 H PHE 42 0.564 0.113 -1.133 330 HA PHE 42 HA PHE 42 -0.267 2.691 -2.224 331 1HB PHE 42 1HB PHE 42 1.468 1.794 0.043 332 2HB PHE 42 2HB PHE 42 1.745 3.394 -0.645 333 HD1 PHE 42 HD1 PHE 42 0.012 5.130 -0.558 334 HD2 PHE 42 HD2 PHE 42 -0.605 1.259 1.201 335 HE1 PHE 42 HE1 PHE 42 -1.950 6.006 0.680 336 HE2 PHE 42 HE2 PHE 42 -2.566 2.137 2.439 337 HZ PHE 42 HZ PHE 42 -3.238 4.508 2.180 338 H LEU 43 H LEU 43 1.397 4.210 -2.993 339 HA LEU 43 HA LEU 43 3.725 2.907 -4.243 340 1HB LEU 43 1HB LEU 43 1.890 4.809 -5.694 341 2HB LEU 43 2HB LEU 43 3.308 4.018 -6.346 342 HG LEU 43 HG LEU 43 1.083 2.309 -5.316 343 1HD1 LEU 43 1HD1 LEU 43 0.962 4.167 -7.639 344 2HD1 LEU 43 2HD1 LEU 43 0.381 2.524 -7.909 345 3HD1 LEU 43 3HD1 LEU 43 -0.344 3.518 -6.647 346 1HD2 LEU 43 1HD2 LEU 43 3.479 1.750 -6.425 347 2HD2 LEU 43 2HD2 LEU 43 2.068 0.715 -6.647 348 3HD2 LEU 43 3HD2 LEU 43 2.509 1.881 -7.893 349 H THR 44 H THR 44 5.203 3.936 -2.938 350 HA THR 44 HA THR 44 5.050 6.656 -2.166 351 HB THR 44 HB THR 44 7.399 6.412 -1.529 352 HG1 THR 44 HG1 THR 44 7.196 3.977 -2.966 353 1HG2 THR 44 1HG2 THR 44 5.408 4.275 -0.923 354 2HG2 THR 44 2HG2 THR 44 7.063 4.031 -0.365 355 3HG2 THR 44 3HG2 THR 44 6.157 5.452 0.157 356 H LYS 45 H LYS 45 6.698 8.314 -2.815 357 HA LYS 45 HA LYS 45 6.455 8.944 -5.544 358 1HB LYS 45 1HB LYS 45 8.503 9.953 -3.552 359 2HB LYS 45 2HB LYS 45 8.129 10.701 -5.105 360 1HG LYS 45 1HG LYS 45 6.070 11.475 -4.399 361 2HG LYS 45 2HG LYS 45 5.861 10.167 -3.235 362 1HD LYS 45 1HD LYS 45 6.261 12.155 -1.954 363 2HD LYS 45 2HD LYS 45 7.751 11.212 -1.893 364 1HE LYS 45 1HE LYS 45 8.525 12.580 -3.914 365 2HE LYS 45 2HE LYS 45 7.164 13.650 -3.580 366 1HZ LYS 45 1HZ LYS 45 9.320 12.951 -1.661 367 2HZ LYS 45 2HZ LYS 45 9.192 14.416 -2.505 368 3HZ LYS 45 3HZ LYS 45 8.014 13.996 -1.354 369 H ARG 46 H ARG 46 9.376 7.935 -3.762 370 HA ARG 46 HA ARG 46 10.389 6.736 -6.269 371 1HB ARG 46 1HB ARG 46 11.466 8.968 -5.454 372 2HB ARG 46 2HB ARG 46 12.235 7.939 -4.245 373 1HG ARG 46 1HG ARG 46 12.971 6.439 -6.166 374 2HG ARG 46 2HG ARG 46 12.443 7.724 -7.255 375 1HD ARG 46 1HD ARG 46 14.681 8.280 -6.968 376 2HD ARG 46 2HD ARG 46 13.926 9.248 -5.707 377 HE ARG 46 HE ARG 46 14.525 6.861 -4.477 378 1HH1 ARG 46 1HH1 ARG 46 16.346 9.262 -6.262 379 2HH1 ARG 46 2HH1 ARG 46 17.813 8.954 -5.399 380 1HH2 ARG 46 1HH2 ARG 46 16.460 6.493 -3.378 381 2HH2 ARG 46 2HH2 ARG 46 17.878 7.400 -3.780 382 H GLY 47 H GLY 47 9.382 6.052 -3.185 383 1HA GLY 47 1HA GLY 47 9.864 4.416 -1.635 384 2HA GLY 47 2HA GLY 47 11.467 4.273 -2.346 385 H ARG 48 H ARG 48 8.482 2.806 -1.947 386 HA ARG 48 HA ARG 48 8.588 1.173 -4.362 387 1HB ARG 48 1HB ARG 48 9.624 0.265 -1.746 388 2HB ARG 48 2HB ARG 48 8.515 -0.855 -2.536 389 1HG ARG 48 1HG ARG 48 9.977 -0.340 -4.668 390 2HG ARG 48 2HG ARG 48 11.184 0.146 -3.476 391 1HD ARG 48 1HD ARG 48 9.746 -2.485 -3.213 392 2HD ARG 48 2HD ARG 48 11.150 -2.334 -4.265 393 HE ARG 48 HE ARG 48 11.158 -2.369 -1.381 394 1HH1 ARG 48 1HH1 ARG 48 12.849 -1.247 -4.233 395 2HH1 ARG 48 2HH1 ARG 48 14.376 -1.147 -3.427 396 1HH2 ARG 48 1HH2 ARG 48 13.168 -2.224 -0.368 397 2HH2 ARG 48 2HH2 ARG 48 14.557 -1.695 -1.258 398 H GLN 49 H GLN 49 6.977 -0.860 -3.764 399 HA GLN 49 HA GLN 49 4.445 0.468 -3.146 400 1HB GLN 49 1HB GLN 49 5.250 -2.004 -4.598 401 2HB GLN 49 2HB GLN 49 3.675 -2.011 -3.803 402 1HG GLN 49 1HG GLN 49 3.057 -1.085 -5.824 403 2HG GLN 49 2HG GLN 49 3.499 0.389 -4.963 404 2HE2 GLN 49 2HE2 GLN 49 5.859 1.106 -5.276 405 1HE2 GLN 49 1HE2 GLN 49 6.575 0.811 -6.786 406 H VAL 50 H VAL 50 2.880 -0.581 -1.719 407 HA VAL 50 HA VAL 50 3.914 -2.533 0.190 408 HB VAL 50 HB VAL 50 3.041 0.220 1.103 409 1HG1 VAL 50 1HG1 VAL 50 2.461 -1.755 2.593 410 2HG1 VAL 50 2HG1 VAL 50 4.193 -2.060 2.731 411 3HG1 VAL 50 3HG1 VAL 50 3.511 -0.548 3.330 412 1HG2 VAL 50 1HG2 VAL 50 5.744 -1.137 0.994 413 2HG2 VAL 50 2HG2 VAL 50 5.268 0.367 0.206 414 3HG2 VAL 50 3HG2 VAL 50 5.421 0.302 1.962 415 H CYS 51 H CYS 51 2.345 -3.838 0.875 416 HA CYS 51 HA CYS 51 -0.390 -3.389 0.028 417 1HB CYS 51 1HB CYS 51 1.096 -5.608 1.392 418 2HB CYS 51 2HB CYS 51 -0.662 -5.559 1.514 419 H ALA 52 H ALA 52 -1.745 -2.138 1.171 420 HA ALA 52 HA ALA 52 -1.382 -2.037 4.114 421 1HB ALA 52 1HB ALA 52 -0.905 0.096 2.797 422 2HB ALA 52 2HB ALA 52 -2.632 0.145 2.447 423 3HB ALA 52 3HB ALA 52 -2.066 0.233 4.115 424 H ASP 53 H ASP 53 -3.173 -2.173 5.407 425 HA ASP 53 HA ASP 53 -5.632 -3.121 4.083 426 1HB ASP 53 1HB ASP 53 -4.320 -3.679 6.693 427 2HB ASP 53 2HB ASP 53 -6.084 -3.667 6.677 428 H LYS 54 H LYS 54 -7.410 -1.910 4.094 429 HA LYS 54 HA LYS 54 -7.445 0.745 5.021 430 1HB LYS 54 1HB LYS 54 -9.908 0.630 4.615 431 2HB LYS 54 2HB LYS 54 -8.949 0.045 3.255 432 1HG LYS 54 1HG LYS 54 -9.366 -2.245 3.831 433 2HG LYS 54 2HG LYS 54 -10.059 -1.792 5.389 434 1HD LYS 54 1HD LYS 54 -11.714 -0.388 3.848 435 2HD LYS 54 2HD LYS 54 -11.258 -1.605 2.656 436 1HE LYS 54 1HE LYS 54 -11.990 -3.396 4.099 437 2HE LYS 54 2HE LYS 54 -12.243 -2.278 5.440 438 1HZ LYS 54 1HZ LYS 54 -13.682 -2.071 2.857 439 2HZ LYS 54 2HZ LYS 54 -14.290 -2.923 4.191 440 3HZ LYS 54 3HZ LYS 54 -14.024 -1.249 4.304 441 H SER 55 H SER 55 -8.284 -2.264 6.583 442 HA SER 55 HA SER 55 -9.909 -1.326 8.667 443 1HB SER 55 1HB SER 55 -7.958 -3.456 9.320 444 2HB SER 55 2HB SER 55 -9.698 -3.407 9.571 445 HG SER 55 HG SER 55 -9.266 -4.859 7.935 446 H LYS 56 H LYS 56 -6.449 -1.166 8.200 447 HA LYS 56 HA LYS 56 -5.638 -0.645 10.846 448 1HB LYS 56 1HB LYS 56 -4.497 0.014 8.149 449 2HB LYS 56 2HB LYS 56 -3.764 0.690 9.604 450 1HG LYS 56 1HG LYS 56 -4.305 -2.266 9.210 451 2HG LYS 56 2HG LYS 56 -2.752 -1.500 8.874 452 1HD LYS 56 1HD LYS 56 -2.914 -0.589 11.298 453 2HD LYS 56 2HD LYS 56 -4.148 -1.829 11.526 454 1HE LYS 56 1HE LYS 56 -2.548 -3.559 10.790 455 2HE LYS 56 2HE LYS 56 -1.312 -2.321 10.568 456 1HZ LYS 56 1HZ LYS 56 -2.692 -2.626 13.157 457 2HZ LYS 56 2HZ LYS 56 -1.369 -3.616 12.763 458 3HZ LYS 56 3HZ LYS 56 -1.175 -1.933 12.830 459 H ASP 57 H ASP 57 -4.478 1.656 11.200 460 HA ASP 57 HA ASP 57 -6.670 3.622 11.013 461 1HB ASP 57 1HB ASP 57 -5.447 4.793 12.858 462 2HB ASP 57 2HB ASP 57 -6.005 3.178 13.293 463 H TRP 58 H TRP 58 -3.160 3.268 10.605 464 HA TRP 58 HA TRP 58 -2.780 5.934 9.647 465 1HB TRP 58 1HB TRP 58 -0.545 5.163 8.953 466 2HB TRP 58 2HB TRP 58 -0.909 4.707 10.614 467 HD1 TRP 58 HD1 TRP 58 -1.372 2.130 11.120 468 HE1 TRP 58 HE1 TRP 58 -0.722 -0.004 9.832 469 HE3 TRP 58 HE3 TRP 58 -0.223 4.156 6.585 470 HZ2 TRP 58 HZ2 TRP 58 0.171 -0.757 7.204 471 HZ3 TRP 58 HZ3 TRP 58 0.526 2.719 4.710 472 HH2 TRP 58 HH2 TRP 58 0.721 0.269 5.016 473 H VAL 59 H VAL 59 -3.683 2.912 8.167 474 HA VAL 59 HA VAL 59 -3.112 3.712 5.466 475 HB VAL 59 HB VAL 59 -5.007 1.566 6.457 476 1HG1 VAL 59 1HG1 VAL 59 -3.987 2.427 3.801 477 2HG1 VAL 59 2HG1 VAL 59 -4.012 0.689 4.096 478 3HG1 VAL 59 3HG1 VAL 59 -5.500 1.625 4.218 479 1HG2 VAL 59 1HG2 VAL 59 -2.721 1.276 7.347 480 2HG2 VAL 59 2HG2 VAL 59 -3.082 0.049 6.132 481 3HG2 VAL 59 3HG2 VAL 59 -2.067 1.429 5.717 482 H LYS 60 H LYS 60 -5.844 3.917 7.651 483 HA LYS 60 HA LYS 60 -7.835 4.598 5.758 484 1HB LYS 60 1HB LYS 60 -7.920 4.031 8.381 485 2HB LYS 60 2HB LYS 60 -7.977 5.790 8.478 486 1HG LYS 60 1HG LYS 60 -9.921 5.873 7.040 487 2HG LYS 60 2HG LYS 60 -9.805 4.143 6.710 488 1HD LYS 60 1HD LYS 60 -11.351 4.021 8.397 489 2HD LYS 60 2HD LYS 60 -9.907 4.072 9.409 490 1HE LYS 60 1HE LYS 60 -11.296 5.754 10.320 491 2HE LYS 60 2HE LYS 60 -10.162 6.644 9.305 492 1HZ LYS 60 1HZ LYS 60 -12.842 5.738 8.408 493 2HZ LYS 60 2HZ LYS 60 -12.512 7.298 8.994 494 3HZ LYS 60 3HZ LYS 60 -11.772 6.754 7.568 495 H LYS 61 H LYS 61 -5.652 6.570 7.746 496 HA LYS 61 HA LYS 61 -6.638 9.096 6.974 497 1HB LYS 61 1HB LYS 61 -4.874 8.406 8.810 498 2HB LYS 61 2HB LYS 61 -3.719 8.710 7.511 499 1HG LYS 61 1HG LYS 61 -3.903 10.816 8.529 500 2HG LYS 61 2HG LYS 61 -5.042 10.937 7.187 501 1HD LYS 61 1HD LYS 61 -6.776 10.016 8.924 502 2HD LYS 61 2HD LYS 61 -5.608 10.581 10.117 503 1HE LYS 61 1HE LYS 61 -6.806 12.529 9.879 504 2HE LYS 61 2HE LYS 61 -5.673 12.760 8.547 505 1HZ LYS 61 1HZ LYS 61 -7.374 11.554 7.145 506 2HZ LYS 61 2HZ LYS 61 -8.462 11.778 8.427 507 3HZ LYS 61 3HZ LYS 61 -7.785 13.125 7.644 508 H LEU 62 H LEU 62 -4.051 7.080 5.611 509 HA LEU 62 HA LEU 62 -3.199 8.883 3.612 510 1HB LEU 62 1HB LEU 62 -3.200 5.871 3.634 511 2HB LEU 62 2HB LEU 62 -2.381 6.849 2.437 512 HG LEU 62 HG LEU 62 -1.716 7.302 5.313 513 1HD1 LEU 62 1HD1 LEU 62 -1.031 4.873 3.668 514 2HD1 LEU 62 2HD1 LEU 62 0.071 5.458 4.914 515 3HD1 LEU 62 3HD1 LEU 62 -1.562 4.954 5.347 516 1HD2 LEU 62 1HD2 LEU 62 -0.496 7.633 2.610 517 2HD2 LEU 62 2HD2 LEU 62 -0.434 8.706 4.009 518 3HD2 LEU 62 3HD2 LEU 62 0.602 7.280 3.945 519 H MET 63 H MET 63 -5.656 6.349 3.629 520 HA MET 63 HA MET 63 -6.388 6.372 0.936 521 1HB MET 63 1HB MET 63 -7.933 5.813 3.453 522 2HB MET 63 2HB MET 63 -8.724 5.774 1.879 523 1HG MET 63 1HG MET 63 -6.472 4.305 1.363 524 2HG MET 63 2HG MET 63 -6.759 3.895 3.053 525 1HE MET 63 1HE MET 63 -7.243 3.544 -0.322 526 2HE MET 63 2HE MET 63 -7.351 1.817 0.043 527 3HE MET 63 3HE MET 63 -8.716 2.652 -0.694 528 H GLN 64 H GLN 64 -7.288 8.548 3.545 529 HA GLN 64 HA GLN 64 -9.150 10.018 1.843 530 1HB GLN 64 1HB GLN 64 -9.458 9.594 4.366 531 2HB GLN 64 2HB GLN 64 -8.248 10.857 4.590 532 1HG GLN 64 1HG GLN 64 -10.596 11.347 2.778 533 2HG GLN 64 2HG GLN 64 -10.785 11.518 4.524 534 2HE2 GLN 64 2HE2 GLN 64 -10.560 13.549 2.147 535 1HE2 GLN 64 1HE2 GLN 64 -9.417 14.670 2.714 536 H GLN 65 H GLN 65 -5.956 10.387 3.279 537 HA GLN 65 HA GLN 65 -5.559 13.108 2.560 538 1HB GLN 65 1HB GLN 65 -3.803 10.855 3.429 539 2HB GLN 65 2HB GLN 65 -3.048 12.272 2.701 540 1HG GLN 65 1HG GLN 65 -4.764 13.489 4.409 541 2HG GLN 65 2HG GLN 65 -4.451 12.002 5.304 542 2HE2 GLN 65 2HE2 GLN 65 -3.393 15.061 5.267 543 1HE2 GLN 65 1HE2 GLN 65 -1.741 14.835 5.588 544 H LEU 66 H LEU 66 -4.683 10.048 1.024 545 HA LEU 66 HA LEU 66 -3.725 11.469 -1.362 546 1HB LEU 66 1HB LEU 66 -3.613 8.575 -0.519 547 2HB LEU 66 2HB LEU 66 -3.125 9.126 -2.106 548 HG LEU 66 HG LEU 66 -1.337 10.473 -1.107 549 1HD1 LEU 66 1HD1 LEU 66 -2.755 9.680 1.393 550 2HD1 LEU 66 2HD1 LEU 66 -0.996 9.761 1.463 551 3HD1 LEU 66 3HD1 LEU 66 -1.926 11.186 1.001 552 1HD2 LEU 66 1HD2 LEU 66 -1.598 7.547 -0.556 553 2HD2 LEU 66 2HD2 LEU 66 -0.449 8.394 -1.590 554 3HD2 LEU 66 3HD2 LEU 66 -0.224 8.392 0.158 555 HA PRO 67 HA PRO 67 -7.560 10.540 -3.372 556 1HB PRO 67 1HB PRO 67 -6.815 10.931 -5.978 557 2HB PRO 67 2HB PRO 67 -7.099 12.244 -4.825 558 1HG PRO 67 1HG PRO 67 -4.542 11.206 -5.895 559 2HG PRO 67 2HG PRO 67 -4.934 12.816 -5.276 560 1HD PRO 67 1HD PRO 67 -3.531 10.774 -3.889 561 2HD PRO 67 2HD PRO 67 -4.161 12.286 -3.193 562 H VAL 68 H VAL 68 -5.488 9.391 -6.006 563 HA VAL 68 HA VAL 68 -5.226 6.717 -5.470 564 HB VAL 68 HB VAL 68 -8.003 7.312 -5.757 565 1HG1 VAL 68 1HG1 VAL 68 -7.595 7.155 -8.252 566 2HG1 VAL 68 2HG1 VAL 68 -7.132 5.473 -7.993 567 3HG1 VAL 68 3HG1 VAL 68 -8.768 6.007 -7.607 568 1HG2 VAL 68 1HG2 VAL 68 -6.650 5.490 -4.479 569 2HG2 VAL 68 2HG2 VAL 68 -8.271 5.101 -5.056 570 3HG2 VAL 68 3HG2 VAL 68 -6.859 4.542 -5.953 571 H THR 69 H THR 69 -3.955 5.878 -7.009 572 HA THR 69 HA THR 69 -3.433 7.494 -9.375 573 HB THR 69 HB THR 69 -1.506 6.634 -8.177 574 HG1 THR 69 HG1 THR 69 -1.028 6.676 -10.271 575 1HG2 THR 69 1HG2 THR 69 -3.102 4.151 -8.243 576 2HG2 THR 69 2HG2 THR 69 -1.382 3.931 -8.566 577 3HG2 THR 69 3HG2 THR 69 -1.907 4.693 -7.065 578 H ALA 70 H ALA 70 -3.030 6.258 -11.465 579 HA ALA 70 HA ALA 70 -5.463 4.816 -12.121 580 1HB ALA 70 1HB ALA 70 -4.106 6.589 -13.556 581 2HB ALA 70 2HB ALA 70 -3.238 5.147 -14.085 582 3HB ALA 70 3HB ALA 70 -4.979 5.267 -14.331 583 H ARG 71 H ARG 71 -4.809 3.044 -14.005 584 HA ARG 71 HA ARG 71 -3.290 1.008 -12.501 585 1HB ARG 71 1HB ARG 71 -5.389 0.756 -14.664 586 2HB ARG 71 2HB ARG 71 -4.465 -0.607 -14.033 587 1HG ARG 71 1HG ARG 71 -5.542 -0.581 -12.004 588 2HG ARG 71 2HG ARG 71 -5.776 1.168 -12.033 589 1HD ARG 71 1HD ARG 71 -7.597 0.986 -13.579 590 2HD ARG 71 2HD ARG 71 -7.251 -0.712 -13.884 591 HE ARG 71 HE ARG 71 -7.762 -0.566 -11.177 592 1HH1 ARG 71 1HH1 ARG 71 -9.485 0.284 -14.103 593 2HH1 ARG 71 2HH1 ARG 71 -11.041 0.007 -13.401 594 1HH2 ARG 71 1HH2 ARG 71 -9.810 -0.917 -10.302 595 2HH2 ARG 71 2HH2 ARG 71 -11.226 -0.668 -11.268 No H/Q in entry = 595 Start of MODEL 14 1 H1 LEU 1 H1 LEU 1 -16.891 -17.343 -26.673 2 H2 LEU 1 H2 LEU 1 -17.701 -18.755 -26.189 3 H3 LEU 1 H3 LEU 1 -17.089 -17.683 -25.024 4 HA LEU 1 HA LEU 1 -15.551 -19.418 -25.049 5 1HB LEU 1 1HB LEU 1 -14.604 -20.239 -27.223 6 2HB LEU 1 2HB LEU 1 -16.331 -20.552 -27.053 7 HG LEU 1 HG LEU 1 -15.535 -17.968 -28.308 8 1HD1 LEU 1 1HD1 LEU 1 -15.134 -20.692 -29.539 9 2HD1 LEU 1 2HD1 LEU 1 -15.507 -19.290 -30.542 10 3HD1 LEU 1 3HD1 LEU 1 -14.044 -19.305 -29.557 11 1HD2 LEU 1 1HD2 LEU 1 -17.776 -19.943 -28.375 12 2HD2 LEU 1 2HD2 LEU 1 -17.836 -18.183 -28.288 13 3HD2 LEU 1 3HD2 LEU 1 -17.497 -18.977 -29.825 14 H GLY 2 H GLY 2 -13.313 -19.087 -24.976 15 1HA GLY 2 1HA GLY 2 -12.461 -16.365 -25.122 16 2HA GLY 2 2HA GLY 2 -11.773 -17.311 -26.440 17 H ALA 3 H ALA 3 -9.963 -16.286 -24.836 18 HA ALA 3 HA ALA 3 -8.845 -18.612 -23.489 19 1HB ALA 3 1HB ALA 3 -7.551 -15.900 -23.590 20 2HB ALA 3 2HB ALA 3 -6.788 -17.489 -23.528 21 3HB ALA 3 3HB ALA 3 -7.568 -16.942 -25.012 22 H SER 4 H SER 4 -7.397 -17.726 -21.463 23 HA SER 4 HA SER 4 -9.307 -16.395 -19.633 24 1HB SER 4 1HB SER 4 -8.660 -17.883 -17.862 25 2HB SER 4 2HB SER 4 -9.094 -18.878 -19.248 26 HG SER 4 HG SER 4 -7.130 -19.571 -18.377 27 H TRP 5 H TRP 5 -7.841 -16.085 -17.430 28 HA TRP 5 HA TRP 5 -5.280 -14.859 -18.195 29 1HB TRP 5 1HB TRP 5 -5.870 -12.816 -16.871 30 2HB TRP 5 2HB TRP 5 -6.824 -13.003 -18.342 31 HD1 TRP 5 HD1 TRP 5 -9.377 -13.176 -18.100 32 HE1 TRP 5 HE1 TRP 5 -11.008 -13.241 -16.104 33 HE3 TRP 5 HE3 TRP 5 -6.053 -13.713 -14.261 34 HZ2 TRP 5 HZ2 TRP 5 -10.914 -13.488 -13.255 35 HZ3 TRP 5 HZ3 TRP 5 -6.850 -13.860 -11.919 36 HH2 TRP 5 HH2 TRP 5 -9.273 -13.748 -11.411 37 H HIS 6 H HIS 6 -3.813 -14.623 -16.486 38 HA HIS 6 HA HIS 6 -4.493 -16.223 -14.097 39 1HB HIS 6 1HB HIS 6 -1.755 -15.548 -15.199 40 2HB HIS 6 2HB HIS 6 -2.106 -16.632 -13.853 41 HD1 HIS 6 HD1 HIS 6 -1.877 -18.987 -14.618 42 HD2 HIS 6 HD2 HIS 6 -3.579 -16.588 -17.572 43 HE1 HIS 6 HE1 HIS 6 -2.408 -20.517 -16.565 44 H ARG 7 H ARG 7 -3.187 -13.175 -15.233 45 HA ARG 7 HA ARG 7 -2.784 -11.177 -14.168 46 1HB ARG 7 1HB ARG 7 -5.158 -11.936 -13.218 47 2HB ARG 7 2HB ARG 7 -4.240 -12.044 -11.716 48 1HG ARG 7 1HG ARG 7 -3.368 -9.697 -12.250 49 2HG ARG 7 2HG ARG 7 -4.621 -9.625 -13.489 50 1HD ARG 7 1HD ARG 7 -6.125 -10.471 -11.434 51 2HD ARG 7 2HD ARG 7 -4.882 -9.620 -10.523 52 HE ARG 7 HE ARG 7 -5.740 -7.616 -11.322 53 1HH1 ARG 7 1HH1 ARG 7 -6.968 -10.270 -13.246 54 2HH1 ARG 7 2HH1 ARG 7 -8.080 -9.271 -14.118 55 1HH2 ARG 7 1HH2 ARG 7 -7.204 -6.351 -12.482 56 2HH2 ARG 7 2HH2 ARG 7 -8.213 -7.072 -13.691 57 HA PRO 8 HA PRO 8 0.474 -13.016 -11.498 58 1HB PRO 8 1HB PRO 8 2.591 -11.862 -12.782 59 2HB PRO 8 2HB PRO 8 1.860 -13.395 -13.277 60 1HG PRO 8 1HG PRO 8 1.681 -10.734 -14.551 61 2HG PRO 8 2HG PRO 8 1.490 -12.341 -15.266 62 1HD PRO 8 1HD PRO 8 -0.595 -10.540 -14.542 63 2HD PRO 8 2HD PRO 8 -0.780 -12.231 -15.063 64 H ASP 9 H ASP 9 1.263 -12.074 -9.676 65 HA ASP 9 HA ASP 9 1.752 -10.473 -8.100 66 1HB ASP 9 1HB ASP 9 2.385 -8.767 -10.522 67 2HB ASP 9 2HB ASP 9 2.868 -8.425 -8.860 68 H LYS 10 H LYS 10 -0.001 -9.847 -7.021 69 HA LYS 10 HA LYS 10 -1.294 -7.395 -7.555 70 1HB LYS 10 1HB LYS 10 -2.469 -9.767 -8.824 71 2HB LYS 10 2HB LYS 10 -3.608 -8.888 -7.805 72 1HG LYS 10 1HG LYS 10 -1.938 -7.150 -9.507 73 2HG LYS 10 2HG LYS 10 -3.005 -8.227 -10.407 74 1HD LYS 10 1HD LYS 10 -4.910 -7.444 -8.981 75 2HD LYS 10 2HD LYS 10 -3.819 -6.277 -8.234 76 1HE LYS 10 1HE LYS 10 -4.103 -6.386 -11.229 77 2HE LYS 10 2HE LYS 10 -5.280 -5.504 -10.254 78 1HZ LYS 10 1HZ LYS 10 -2.373 -5.080 -9.931 79 2HZ LYS 10 2HZ LYS 10 -3.264 -4.232 -11.099 80 3HZ LYS 10 3HZ LYS 10 -3.652 -4.068 -9.453 81 H CYS 11 H CYS 11 -2.450 -10.546 -6.388 82 HA CYS 11 HA CYS 11 -3.663 -9.521 -4.044 83 1HB CYS 11 1HB CYS 11 -2.595 -12.338 -4.366 84 2HB CYS 11 2HB CYS 11 -3.919 -11.800 -3.336 85 H CYS 12 H CYS 12 -2.908 -10.662 -1.846 86 HA CYS 12 HA CYS 12 -0.191 -11.033 -1.286 87 1HB CYS 12 1HB CYS 12 0.317 -8.871 -0.123 88 2HB CYS 12 2HB CYS 12 0.204 -8.724 -1.876 89 H LEU 13 H LEU 13 -0.364 -12.283 0.429 90 HA LEU 13 HA LEU 13 -2.628 -12.138 2.209 91 1HB LEU 13 1HB LEU 13 -0.127 -13.734 2.677 92 2HB LEU 13 2HB LEU 13 -1.746 -14.060 3.256 93 HG LEU 13 HG LEU 13 -1.256 -14.067 0.304 94 1HD1 LEU 13 1HD1 LEU 13 0.594 -15.401 1.269 95 2HD1 LEU 13 2HD1 LEU 13 -0.576 -16.349 2.187 96 3HD1 LEU 13 3HD1 LEU 13 -0.564 -16.427 0.425 97 1HD2 LEU 13 1HD2 LEU 13 -3.080 -15.440 2.283 98 2HD2 LEU 13 2HD2 LEU 13 -3.519 -14.403 0.926 99 3HD2 LEU 13 3HD2 LEU 13 -2.910 -16.030 0.630 100 H GLY 14 H GLY 14 0.731 -11.135 2.256 101 1HA GLY 14 1HA GLY 14 2.002 -10.313 4.080 102 2HA GLY 14 2HA GLY 14 0.546 -10.326 5.070 103 H TYR 15 H TYR 15 0.865 -8.204 5.759 104 HA TYR 15 HA TYR 15 0.696 -6.095 3.700 105 1HB TYR 15 1HB TYR 15 -1.081 -6.422 6.123 106 2HB TYR 15 2HB TYR 15 -0.909 -4.893 5.261 107 HD1 TYR 15 HD1 TYR 15 -1.630 -8.521 4.621 108 HD2 TYR 15 HD2 TYR 15 -2.300 -4.447 3.442 109 HE1 TYR 15 HE1 TYR 15 -3.278 -9.281 2.931 110 HE2 TYR 15 HE2 TYR 15 -3.948 -5.204 1.753 111 HH TYR 15 HH TYR 15 -4.402 -7.316 0.450 112 H GLN 16 H GLN 16 0.959 -3.871 4.853 113 HA GLN 16 HA GLN 16 3.522 -3.820 6.044 114 1HB GLN 16 1HB GLN 16 2.249 -1.913 4.815 115 2HB GLN 16 2HB GLN 16 1.540 -1.589 6.389 116 1HG GLN 16 1HG GLN 16 3.526 -0.208 6.122 117 2HG GLN 16 2HG GLN 16 3.835 -1.430 7.355 118 2HE2 GLN 16 2HE2 GLN 16 5.386 -3.104 6.874 119 1HE2 GLN 16 1HE2 GLN 16 6.363 -3.059 5.488 120 H LYS 17 H LYS 17 4.139 -4.173 8.069 121 HA LYS 17 HA LYS 17 2.072 -4.295 10.166 122 1HB LYS 17 1HB LYS 17 4.928 -5.296 10.276 123 2HB LYS 17 2HB LYS 17 3.647 -5.618 11.445 124 1HG LYS 17 1HG LYS 17 3.409 -7.530 10.203 125 2HG LYS 17 2HG LYS 17 2.415 -6.472 9.199 126 1HD LYS 17 1HD LYS 17 4.164 -6.125 7.637 127 2HD LYS 17 2HD LYS 17 5.389 -6.740 8.747 128 1HE LYS 17 1HE LYS 17 4.321 -8.991 8.622 129 2HE LYS 17 2HE LYS 17 3.190 -8.357 7.426 130 1HZ LYS 17 1HZ LYS 17 5.123 -7.741 6.051 131 2HZ LYS 17 2HZ LYS 17 6.143 -8.511 7.171 132 3HZ LYS 17 3HZ LYS 17 5.000 -9.417 6.305 133 H ARG 18 H ARG 18 3.078 -1.786 9.167 134 HA ARG 18 HA ARG 18 3.661 -0.505 11.649 135 1HB ARG 18 1HB ARG 18 5.869 0.449 10.954 136 2HB ARG 18 2HB ARG 18 5.923 -1.287 11.265 137 1HG ARG 18 1HG ARG 18 6.040 -1.823 8.983 138 2HG ARG 18 2HG ARG 18 5.389 -0.262 8.486 139 1HD ARG 18 1HD ARG 18 7.444 0.855 9.215 140 2HD ARG 18 2HD ARG 18 8.095 -0.678 9.785 141 HE ARG 18 HE ARG 18 8.036 0.256 7.062 142 1HH1 ARG 18 1HH1 ARG 18 8.010 -2.594 9.095 143 2HH1 ARG 18 2HH1 ARG 18 8.679 -3.614 7.869 144 1HH2 ARG 18 1HH2 ARG 18 8.906 -1.109 5.491 145 2HH2 ARG 18 2HH2 ARG 18 9.183 -2.782 5.845 146 HA PRO 19 HA PRO 19 1.929 2.703 9.141 147 1HB PRO 19 1HB PRO 19 2.280 4.824 10.829 148 2HB PRO 19 2HB PRO 19 1.058 3.567 11.064 149 1HG PRO 19 1HG PRO 19 3.567 4.034 12.541 150 2HG PRO 19 2HG PRO 19 2.101 3.185 13.049 151 1HD PRO 19 1HD PRO 19 4.547 2.007 12.159 152 2HD PRO 19 2HD PRO 19 3.019 1.170 12.516 153 H LEU 20 H LEU 20 2.740 3.689 7.404 154 HA LEU 20 HA LEU 20 5.489 4.732 7.486 155 1HB LEU 20 1HB LEU 20 3.973 4.747 4.944 156 2HB LEU 20 2HB LEU 20 5.646 4.341 5.249 157 HG LEU 20 HG LEU 20 3.227 2.565 5.624 158 1HD1 LEU 20 1HD1 LEU 20 4.080 2.806 3.319 159 2HD1 LEU 20 2HD1 LEU 20 5.696 2.363 3.871 160 3HD1 LEU 20 3HD1 LEU 20 4.386 1.184 3.941 161 1HD2 LEU 20 1HD2 LEU 20 6.052 2.342 6.616 162 2HD2 LEU 20 2HD2 LEU 20 4.551 1.879 7.416 163 3HD2 LEU 20 3HD2 LEU 20 5.203 0.880 6.116 164 HA PRO 21 HA PRO 21 3.938 8.882 7.348 165 1HB PRO 21 1HB PRO 21 6.192 10.170 6.488 166 2HB PRO 21 2HB PRO 21 5.994 9.521 8.126 167 1HG PRO 21 1HG PRO 21 7.652 8.511 5.899 168 2HG PRO 21 2HG PRO 21 7.838 8.271 7.642 169 1HD PRO 21 1HD PRO 21 6.751 6.416 5.762 170 2HD PRO 21 2HD PRO 21 6.779 6.254 7.535 171 H GLN 22 H GLN 22 2.823 10.128 5.926 172 HA GLN 22 HA GLN 22 2.797 9.472 3.136 173 1HB GLN 22 1HB GLN 22 0.841 10.338 4.554 174 2HB GLN 22 2HB GLN 22 1.559 11.935 4.352 175 1HG GLN 22 1HG GLN 22 1.286 10.323 1.874 176 2HG GLN 22 2HG GLN 22 -0.224 10.875 2.601 177 2HE2 GLN 22 2HE2 GLN 22 1.559 11.797 0.156 178 1HE2 GLN 22 1HE2 GLN 22 1.593 13.483 0.349 179 H VAL 23 H VAL 23 4.845 11.439 4.974 180 HA VAL 23 HA VAL 23 5.285 13.708 3.462 181 HB VAL 23 HB VAL 23 6.316 13.272 5.654 182 1HG1 VAL 23 1HG1 VAL 23 6.940 10.822 4.726 183 2HG1 VAL 23 2HG1 VAL 23 8.479 11.633 4.439 184 3HG1 VAL 23 3HG1 VAL 23 7.802 11.578 6.066 185 1HG2 VAL 23 1HG2 VAL 23 7.306 14.951 4.087 186 2HG2 VAL 23 2HG2 VAL 23 8.498 14.243 5.176 187 3HG2 VAL 23 3HG2 VAL 23 8.406 13.705 3.500 188 H LEU 24 H LEU 24 6.074 10.409 2.666 189 HA LEU 24 HA LEU 24 7.430 11.404 0.237 190 1HB LEU 24 1HB LEU 24 9.088 9.791 0.318 191 2HB LEU 24 2HB LEU 24 8.967 10.352 1.966 192 HG LEU 24 HG LEU 24 9.231 8.042 2.178 193 1HD1 LEU 24 1HD1 LEU 24 7.203 8.942 3.393 194 2HD1 LEU 24 2HD1 LEU 24 6.218 8.283 2.089 195 3HD1 LEU 24 3HD1 LEU 24 7.181 7.205 3.095 196 1HD2 LEU 24 1HD2 LEU 24 8.554 7.865 -0.418 197 2HD2 LEU 24 2HD2 LEU 24 8.593 6.458 0.646 198 3HD2 LEU 24 3HD2 LEU 24 7.060 7.260 0.298 199 H LEU 25 H LEU 25 4.719 9.850 1.309 200 HA LEU 25 HA LEU 25 4.577 7.719 -0.611 201 1HB LEU 25 1HB LEU 25 3.224 8.230 1.642 202 2HB LEU 25 2HB LEU 25 2.109 8.940 0.499 203 HG LEU 25 HG LEU 25 1.815 6.813 -0.615 204 1HD1 LEU 25 1HD1 LEU 25 4.233 6.120 0.971 205 2HD1 LEU 25 2HD1 LEU 25 3.028 4.845 0.790 206 3HD1 LEU 25 3HD1 LEU 25 3.752 5.583 -0.638 207 1HD2 LEU 25 1HD2 LEU 25 1.546 7.009 2.350 208 2HD2 LEU 25 2HD2 LEU 25 0.297 6.821 1.118 209 3HD2 LEU 25 3HD2 LEU 25 1.261 5.431 1.615 210 H SER 26 H SER 26 2.653 7.703 -2.185 211 HA SER 26 HA SER 26 2.448 10.339 -3.519 212 1HB SER 26 1HB SER 26 3.921 8.345 -4.557 213 2HB SER 26 2HB SER 26 2.346 7.891 -5.200 214 HG SER 26 HG SER 26 3.092 9.318 -6.651 215 H SER 27 H SER 27 1.054 7.076 -3.921 216 HA SER 27 HA SER 27 -1.613 8.054 -3.293 217 1HB SER 27 1HB SER 27 -2.599 7.639 -5.429 218 2HB SER 27 2HB SER 27 -1.189 8.649 -5.730 219 HG SER 27 HG SER 27 -1.646 5.961 -6.310 220 H TRP 28 H TRP 28 -3.083 5.989 -4.423 221 HA TRP 28 HA TRP 28 -1.836 3.459 -3.649 222 1HB TRP 28 1HB TRP 28 -3.785 2.917 -2.144 223 2HB TRP 28 2HB TRP 28 -2.693 4.145 -1.509 224 HD1 TRP 28 HD1 TRP 28 -3.530 6.659 -1.476 225 HE1 TRP 28 HE1 TRP 28 -5.887 7.698 -1.579 226 HE3 TRP 28 HE3 TRP 28 -6.200 2.636 -3.154 227 HZ2 TRP 28 HZ2 TRP 28 -8.548 6.921 -2.285 228 HZ3 TRP 28 HZ3 TRP 28 -8.638 2.817 -3.536 229 HH2 TRP 28 HH2 TRP 28 -9.816 4.954 -3.102 230 H TYR 29 H TYR 29 -2.810 1.670 -4.568 231 HA TYR 29 HA TYR 29 -5.203 2.200 -6.214 232 1HB TYR 29 1HB TYR 29 -4.329 1.075 -8.101 233 2HB TYR 29 2HB TYR 29 -3.031 2.128 -7.561 234 HD1 TYR 29 HD1 TYR 29 -4.261 -1.374 -7.566 235 HD2 TYR 29 HD2 TYR 29 -0.934 1.229 -6.791 236 HE1 TYR 29 HE1 TYR 29 -2.762 -3.341 -7.398 237 HE2 TYR 29 HE2 TYR 29 0.563 -0.738 -6.620 238 HH TYR 29 HH TYR 29 -0.341 -3.832 -7.657 239 HA PRO 30 HA PRO 30 -6.611 -1.485 -4.180 240 1HB PRO 30 1HB PRO 30 -8.890 -1.908 -5.623 241 2HB PRO 30 2HB PRO 30 -8.721 -0.634 -4.406 242 1HG PRO 30 1HG PRO 30 -8.801 -0.414 -7.352 243 2HG PRO 30 2HG PRO 30 -9.204 0.791 -6.121 244 1HD PRO 30 1HD PRO 30 -6.795 0.639 -7.639 245 2HD PRO 30 2HD PRO 30 -7.132 1.727 -6.273 246 H THR 31 H THR 31 -5.917 -3.536 -4.385 247 HA THR 31 HA THR 31 -5.157 -4.600 -6.963 248 HB THR 31 HB THR 31 -3.764 -5.135 -5.058 249 HG1 THR 31 HG1 THR 31 -3.661 -6.838 -6.324 250 1HG2 THR 31 1HG2 THR 31 -6.384 -5.894 -3.863 251 2HG2 THR 31 2HG2 THR 31 -4.969 -6.829 -3.381 252 3HG2 THR 31 3HG2 THR 31 -5.003 -5.085 -3.122 253 H SER 32 H SER 32 -5.785 -7.077 -7.222 254 HA SER 32 HA SER 32 -8.471 -7.160 -8.016 255 1HB SER 32 1HB SER 32 -6.308 -9.177 -7.690 256 2HB SER 32 2HB SER 32 -7.958 -9.776 -7.825 257 HG SER 32 HG SER 32 -6.759 -7.908 -9.597 258 H GLN 33 H GLN 33 -10.324 -7.641 -7.027 259 HA GLN 33 HA GLN 33 -10.361 -7.987 -4.161 260 1HB GLN 33 1HB GLN 33 -12.076 -6.761 -5.784 261 2HB GLN 33 2HB GLN 33 -12.824 -8.359 -5.802 262 1HG GLN 33 1HG GLN 33 -13.854 -7.278 -3.971 263 2HG GLN 33 2HG GLN 33 -12.602 -8.270 -3.224 264 2HE2 GLN 33 2HE2 GLN 33 -13.862 -5.165 -3.214 265 1HE2 GLN 33 1HE2 GLN 33 -12.505 -4.330 -2.627 266 H LEU 34 H LEU 34 -10.657 -10.029 -6.974 267 HA LEU 34 HA LEU 34 -11.991 -12.243 -5.919 268 1HB LEU 34 1HB LEU 34 -9.690 -12.319 -7.861 269 2HB LEU 34 2HB LEU 34 -10.923 -13.542 -7.648 270 HG LEU 34 HG LEU 34 -11.612 -10.744 -8.534 271 1HD1 LEU 34 1HD1 LEU 34 -9.883 -11.859 -10.032 272 2HD1 LEU 34 2HD1 LEU 34 -11.091 -13.104 -10.353 273 3HD1 LEU 34 3HD1 LEU 34 -11.403 -11.431 -10.817 274 1HD2 LEU 34 1HD2 LEU 34 -12.941 -13.459 -8.790 275 2HD2 LEU 34 2HD2 LEU 34 -13.458 -12.136 -7.743 276 3HD2 LEU 34 3HD2 LEU 34 -13.564 -11.966 -9.495 277 H CYS 35 H CYS 35 -8.804 -11.055 -5.254 278 HA CYS 35 HA CYS 35 -7.442 -13.365 -4.481 279 1HB CYS 35 1HB CYS 35 -7.266 -10.693 -3.064 280 2HB CYS 35 2HB CYS 35 -6.033 -11.951 -3.118 281 H SER 36 H SER 36 -6.972 -14.147 -2.288 282 HA SER 36 HA SER 36 -9.278 -14.922 -0.894 283 1HB SER 36 1HB SER 36 -6.383 -14.862 -0.040 284 2HB SER 36 2HB SER 36 -7.664 -15.562 0.946 285 HG SER 36 HG SER 36 -8.075 -17.030 -0.676 286 H LYS 37 H LYS 37 -6.741 -12.702 0.227 287 HA LYS 37 HA LYS 37 -8.805 -11.095 1.581 288 1HB LYS 37 1HB LYS 37 -7.304 -10.870 3.561 289 2HB LYS 37 2HB LYS 37 -7.897 -12.515 3.333 290 1HG LYS 37 1HG LYS 37 -5.670 -12.748 1.898 291 2HG LYS 37 2HG LYS 37 -5.143 -11.419 2.931 292 1HD LYS 37 1HD LYS 37 -5.873 -12.788 4.923 293 2HD LYS 37 2HD LYS 37 -6.138 -14.139 3.819 294 1HE LYS 37 1HE LYS 37 -3.682 -13.618 3.040 295 2HE LYS 37 2HE LYS 37 -3.557 -12.819 4.607 296 1HZ LYS 37 1HZ LYS 37 -4.585 -15.578 4.319 297 2HZ LYS 37 2HZ LYS 37 -2.932 -15.245 4.528 298 3HZ LYS 37 3HZ LYS 37 -4.050 -14.801 5.728 299 HA PRO 38 HA PRO 38 -5.707 -8.530 -0.716 300 1HB PRO 38 1HB PRO 38 -7.481 -7.238 -2.341 301 2HB PRO 38 2HB PRO 38 -6.736 -8.792 -2.741 302 1HG PRO 38 1HG PRO 38 -9.509 -8.202 -1.898 303 2HG PRO 38 2HG PRO 38 -8.885 -9.555 -2.852 304 1HD PRO 38 1HD PRO 38 -9.584 -9.600 -0.094 305 2HD PRO 38 2HD PRO 38 -8.748 -10.882 -1.001 306 H GLY 39 H GLY 39 -6.152 -6.006 -1.357 307 1HA GLY 39 1HA GLY 39 -6.141 -4.532 0.985 308 2HA GLY 39 2HA GLY 39 -7.808 -4.499 0.415 309 H VAL 40 H VAL 40 -4.841 -2.983 0.242 310 HA VAL 40 HA VAL 40 -5.106 -2.022 -2.495 311 HB VAL 40 HB VAL 40 -5.286 -0.058 -0.195 312 1HG1 VAL 40 1HG1 VAL 40 -4.257 0.407 -2.623 313 2HG1 VAL 40 2HG1 VAL 40 -5.966 0.601 -3.013 314 3HG1 VAL 40 3HG1 VAL 40 -5.227 1.604 -1.765 315 1HG2 VAL 40 1HG2 VAL 40 -7.392 -1.145 -2.080 316 2HG2 VAL 40 2HG2 VAL 40 -7.388 -1.234 -0.318 317 3HG2 VAL 40 3HG2 VAL 40 -7.607 0.321 -1.123 318 H ILE 41 H ILE 41 -3.207 -1.363 -3.325 319 HA ILE 41 HA ILE 41 -0.862 -1.531 -1.565 320 HB ILE 41 HB ILE 41 -1.185 -1.669 -4.572 321 1HG1 ILE 41 1HG1 ILE 41 -0.060 -3.925 -4.081 322 2HG1 ILE 41 2HG1 ILE 41 -0.417 -3.602 -2.385 323 1HG2 ILE 41 1HG2 ILE 41 1.282 -1.341 -2.883 324 2HG2 ILE 41 2HG2 ILE 41 1.360 -2.311 -4.351 325 3HG2 ILE 41 3HG2 ILE 41 0.900 -0.611 -4.442 326 1HD1 ILE 41 1HD1 ILE 41 -2.610 -3.339 -4.417 327 2HD1 ILE 41 2HD1 ILE 41 -2.145 -4.945 -3.852 328 3HD1 ILE 41 3HD1 ILE 41 -2.721 -3.738 -2.702 329 H PHE 42 H PHE 42 0.559 0.128 -1.302 330 HA PHE 42 HA PHE 42 -0.353 2.773 -2.235 331 1HB PHE 42 1HB PHE 42 1.208 1.812 0.134 332 2HB PHE 42 2HB PHE 42 1.493 3.447 -0.460 333 HD1 PHE 42 HD1 PHE 42 -0.272 5.137 -0.414 334 HD2 PHE 42 HD2 PHE 42 -0.945 1.167 1.081 335 HE1 PHE 42 HE1 PHE 42 -2.340 5.913 0.711 336 HE2 PHE 42 HE2 PHE 42 -3.016 1.943 2.204 337 HZ PHE 42 HZ PHE 42 -3.711 4.315 2.023 338 H LEU 43 H LEU 43 0.883 3.992 -3.559 339 HA LEU 43 HA LEU 43 3.467 2.844 -4.417 340 1HB LEU 43 1HB LEU 43 1.938 4.976 -5.878 341 2HB LEU 43 2HB LEU 43 3.205 3.940 -6.491 342 HG LEU 43 HG LEU 43 1.197 3.171 -7.476 343 1HD1 LEU 43 1HD1 LEU 43 2.707 1.516 -5.864 344 2HD1 LEU 43 2HD1 LEU 43 1.066 1.180 -5.316 345 3HD1 LEU 43 3HD1 LEU 43 1.489 0.974 -7.015 346 1HD2 LEU 43 1HD2 LEU 43 -0.088 4.349 -5.399 347 2HD2 LEU 43 2HD2 LEU 43 -0.868 3.203 -6.489 348 3HD2 LEU 43 3HD2 LEU 43 -0.247 2.656 -4.933 349 H THR 44 H THR 44 4.965 3.742 -3.045 350 HA THR 44 HA THR 44 4.845 6.414 -2.085 351 HB THR 44 HB THR 44 7.193 6.077 -1.438 352 HG1 THR 44 HG1 THR 44 6.937 3.670 -2.915 353 1HG2 THR 44 1HG2 THR 44 5.104 4.012 -0.940 354 2HG2 THR 44 2HG2 THR 44 6.742 3.648 -0.397 355 3HG2 THR 44 3HG2 THR 44 5.915 5.088 0.198 356 H LYS 45 H LYS 45 6.575 8.062 -2.595 357 HA LYS 45 HA LYS 45 6.395 8.875 -5.280 358 1HB LYS 45 1HB LYS 45 8.193 9.688 -3.007 359 2HB LYS 45 2HB LYS 45 8.393 10.380 -4.618 360 1HG LYS 45 1HG LYS 45 6.396 11.520 -4.530 361 2HG LYS 45 2HG LYS 45 5.630 10.310 -3.498 362 1HD LYS 45 1HD LYS 45 5.920 12.004 -1.951 363 2HD LYS 45 2HD LYS 45 7.456 11.157 -1.755 364 1HE LYS 45 1HE LYS 45 7.905 13.536 -1.986 365 2HE LYS 45 2HE LYS 45 8.467 12.711 -3.440 366 1HZ LYS 45 1HZ LYS 45 5.729 13.780 -3.334 367 2HZ LYS 45 2HZ LYS 45 7.027 14.830 -3.650 368 3HZ LYS 45 3HZ LYS 45 6.730 13.517 -4.682 369 H ARG 46 H ARG 46 9.216 7.598 -3.521 370 HA ARG 46 HA ARG 46 10.222 6.493 -6.072 371 1HB ARG 46 1HB ARG 46 11.410 8.615 -5.403 372 2HB ARG 46 2HB ARG 46 11.963 7.757 -3.964 373 1HG ARG 46 1HG ARG 46 13.285 6.268 -5.198 374 2HG ARG 46 2HG ARG 46 12.383 6.552 -6.687 375 1HD ARG 46 1HD ARG 46 14.385 7.739 -7.031 376 2HD ARG 46 2HD ARG 46 13.254 8.983 -6.508 377 HE ARG 46 HE ARG 46 14.643 7.871 -4.276 378 1HH1 ARG 46 1HH1 ARG 46 15.034 10.054 -6.985 379 2HH1 ARG 46 2HH1 ARG 46 16.257 10.990 -6.200 380 1HH2 ARG 46 1HH2 ARG 46 16.241 9.121 -3.288 381 2HH2 ARG 46 2HH2 ARG 46 16.936 10.468 -4.125 382 H GLY 47 H GLY 47 9.135 5.697 -3.075 383 1HA GLY 47 1HA GLY 47 9.567 4.017 -1.555 384 2HA GLY 47 2HA GLY 47 11.185 3.871 -2.233 385 H ARG 48 H ARG 48 8.169 2.434 -1.948 386 HA ARG 48 HA ARG 48 8.314 0.868 -4.403 387 1HB ARG 48 1HB ARG 48 9.332 -0.102 -1.814 388 2HB ARG 48 2HB ARG 48 8.191 -1.195 -2.591 389 1HG ARG 48 1HG ARG 48 10.328 0.016 -4.292 390 2HG ARG 48 2HG ARG 48 10.796 -1.262 -3.170 391 1HD ARG 48 1HD ARG 48 9.365 -2.838 -4.178 392 2HD ARG 48 2HD ARG 48 8.410 -1.595 -4.977 393 HE ARG 48 HE ARG 48 11.163 -1.652 -5.848 394 1HH1 ARG 48 1HH1 ARG 48 7.980 -3.034 -6.302 395 2HH1 ARG 48 2HH1 ARG 48 8.299 -3.520 -7.931 396 1HH2 ARG 48 1HH2 ARG 48 11.538 -2.302 -7.974 397 2HH2 ARG 48 2HH2 ARG 48 10.296 -3.111 -8.871 398 H GLN 49 H GLN 49 6.696 -1.198 -3.836 399 HA GLN 49 HA GLN 49 4.144 0.120 -3.282 400 1HB GLN 49 1HB GLN 49 4.986 -2.369 -4.695 401 2HB GLN 49 2HB GLN 49 3.371 -2.323 -3.987 402 1HG GLN 49 1HG GLN 49 2.630 -0.706 -5.439 403 2HG GLN 49 2HG GLN 49 4.212 0.065 -5.552 404 2HE2 GLN 49 2HE2 GLN 49 5.307 -0.305 -7.481 405 1HE2 GLN 49 1HE2 GLN 49 5.012 -1.605 -8.531 406 H VAL 50 H VAL 50 2.695 -0.598 -1.698 407 HA VAL 50 HA VAL 50 3.614 -2.701 0.142 408 HB VAL 50 HB VAL 50 2.839 0.092 1.032 409 1HG1 VAL 50 1HG1 VAL 50 2.095 -1.779 2.546 410 2HG1 VAL 50 2HG1 VAL 50 3.784 -2.268 2.690 411 3HG1 VAL 50 3HG1 VAL 50 3.267 -0.691 3.287 412 1HG2 VAL 50 1HG2 VAL 50 5.476 -1.405 1.133 413 2HG2 VAL 50 2HG2 VAL 50 5.112 -0.011 0.114 414 3HG2 VAL 50 3HG2 VAL 50 5.175 0.170 1.867 415 H CYS 51 H CYS 51 1.996 -4.051 0.533 416 HA CYS 51 HA CYS 51 -0.722 -3.427 -0.202 417 1HB CYS 51 1HB CYS 51 0.755 -5.799 0.785 418 2HB CYS 51 2HB CYS 51 -0.936 -5.714 1.272 419 H ALA 52 H ALA 52 -2.060 -2.273 1.033 420 HA ALA 52 HA ALA 52 -1.846 -2.549 3.965 421 1HB ALA 52 1HB ALA 52 -0.759 -0.417 3.098 422 2HB ALA 52 2HB ALA 52 -2.376 0.096 2.614 423 3HB ALA 52 3HB ALA 52 -2.018 -0.204 4.314 424 H ASP 53 H ASP 53 -3.709 -2.961 4.920 425 HA ASP 53 HA ASP 53 -6.168 -2.891 3.347 426 1HB ASP 53 1HB ASP 53 -5.662 -3.872 6.170 427 2HB ASP 53 2HB ASP 53 -7.164 -4.071 5.266 428 H LYS 54 H LYS 54 -7.649 -1.332 3.496 429 HA LYS 54 HA LYS 54 -7.226 1.066 4.863 430 1HB LYS 54 1HB LYS 54 -9.626 1.543 4.399 431 2HB LYS 54 2HB LYS 54 -8.757 0.951 2.983 432 1HG LYS 54 1HG LYS 54 -10.559 -0.461 2.850 433 2HG LYS 54 2HG LYS 54 -9.600 -1.405 3.990 434 1HD LYS 54 1HD LYS 54 -10.848 -0.663 5.846 435 2HD LYS 54 2HD LYS 54 -11.505 0.717 4.965 436 1HE LYS 54 1HE LYS 54 -13.123 -0.538 3.926 437 2HE LYS 54 2HE LYS 54 -12.111 -1.982 3.866 438 1HZ LYS 54 1HZ LYS 54 -12.406 -2.154 6.309 439 2HZ LYS 54 2HZ LYS 54 -13.542 -0.893 6.226 440 3HZ LYS 54 3HZ LYS 54 -13.845 -2.359 5.428 441 H SER 55 H SER 55 -8.541 -1.928 6.023 442 HA SER 55 HA SER 55 -10.170 -1.082 8.124 443 1HB SER 55 1HB SER 55 -9.329 -3.510 7.230 444 2HB SER 55 2HB SER 55 -8.425 -3.378 8.734 445 HG SER 55 HG SER 55 -10.238 -3.911 9.642 446 H LYS 56 H LYS 56 -6.690 -1.103 7.831 447 HA LYS 56 HA LYS 56 -6.000 -0.859 10.559 448 1HB LYS 56 1HB LYS 56 -4.669 -0.266 7.963 449 2HB LYS 56 2HB LYS 56 -4.008 0.511 9.402 450 1HG LYS 56 1HG LYS 56 -4.573 -2.459 9.237 451 2HG LYS 56 2HG LYS 56 -3.001 -1.753 8.860 452 1HD LYS 56 1HD LYS 56 -3.252 -0.599 11.199 453 2HD LYS 56 2HD LYS 56 -4.428 -1.879 11.502 454 1HE LYS 56 1HE LYS 56 -1.649 -2.459 10.462 455 2HE LYS 56 2HE LYS 56 -2.012 -2.384 12.187 456 1HZ LYS 56 1HZ LYS 56 -3.460 -4.119 10.264 457 2HZ LYS 56 2HZ LYS 56 -2.153 -4.645 11.214 458 3HZ LYS 56 3HZ LYS 56 -3.590 -4.132 11.958 459 H ASP 57 H ASP 57 -4.664 1.349 11.084 460 HA ASP 57 HA ASP 57 -6.740 3.440 11.017 461 1HB ASP 57 1HB ASP 57 -4.376 2.980 12.843 462 2HB ASP 57 2HB ASP 57 -5.333 4.461 12.865 463 H TRP 58 H TRP 58 -3.174 3.217 10.887 464 HA TRP 58 HA TRP 58 -2.829 5.824 9.843 465 1HB TRP 58 1HB TRP 58 -0.541 5.092 9.252 466 2HB TRP 58 2HB TRP 58 -0.968 4.686 10.910 467 HD1 TRP 58 HD1 TRP 58 -1.305 2.137 11.518 468 HE1 TRP 58 HE1 TRP 58 -0.579 -0.031 10.331 469 HE3 TRP 58 HE3 TRP 58 -0.219 3.987 6.890 470 HZ2 TRP 58 HZ2 TRP 58 0.341 -0.877 7.740 471 HZ3 TRP 58 HZ3 TRP 58 0.581 2.490 5.087 472 HH2 TRP 58 HH2 TRP 58 0.858 0.064 5.506 473 H VAL 59 H VAL 59 -3.554 2.756 8.362 474 HA VAL 59 HA VAL 59 -2.858 3.484 5.688 475 HB VAL 59 HB VAL 59 -4.899 1.441 6.597 476 1HG1 VAL 59 1HG1 VAL 59 -4.752 2.225 4.132 477 2HG1 VAL 59 2HG1 VAL 59 -3.195 1.398 4.107 478 3HG1 VAL 59 3HG1 VAL 59 -4.670 0.490 4.442 479 1HG2 VAL 59 1HG2 VAL 59 -2.645 1.139 7.641 480 2HG2 VAL 59 2HG2 VAL 59 -3.068 -0.167 6.534 481 3HG2 VAL 59 3HG2 VAL 59 -1.942 1.091 6.025 482 H LYS 60 H LYS 60 -5.805 3.579 7.618 483 HA LYS 60 HA LYS 60 -7.620 4.374 5.641 484 1HB LYS 60 1HB LYS 60 -8.038 3.696 8.105 485 2HB LYS 60 2HB LYS 60 -7.760 5.400 8.466 486 1HG LYS 60 1HG LYS 60 -9.697 6.079 7.437 487 2HG LYS 60 2HG LYS 60 -9.616 4.808 6.217 488 1HD LYS 60 1HD LYS 60 -10.133 3.169 8.134 489 2HD LYS 60 2HD LYS 60 -10.581 4.595 9.071 490 1HE LYS 60 1HE LYS 60 -12.636 4.162 8.140 491 2HE LYS 60 2HE LYS 60 -11.962 5.125 6.824 492 1HZ LYS 60 1HZ LYS 60 -11.138 2.992 5.866 493 2HZ LYS 60 2HZ LYS 60 -12.046 2.168 7.036 494 3HZ LYS 60 3HZ LYS 60 -12.830 3.147 5.889 495 H LYS 61 H LYS 61 -5.552 6.334 7.763 496 HA LYS 61 HA LYS 61 -6.503 8.858 6.944 497 1HB LYS 61 1HB LYS 61 -3.756 8.067 7.943 498 2HB LYS 61 2HB LYS 61 -4.333 9.726 7.790 499 1HG LYS 61 1HG LYS 61 -6.273 9.080 9.291 500 2HG LYS 61 2HG LYS 61 -5.435 7.556 9.588 501 1HD LYS 61 1HD LYS 61 -4.585 8.793 11.342 502 2HD LYS 61 2HD LYS 61 -3.399 9.203 10.102 503 1HE LYS 61 1HE LYS 61 -4.729 11.225 9.531 504 2HE LYS 61 2HE LYS 61 -5.851 10.830 10.832 505 1HZ LYS 61 1HZ LYS 61 -3.861 10.859 12.339 506 2HZ LYS 61 2HZ LYS 61 -2.985 11.546 11.059 507 3HZ LYS 61 3HZ LYS 61 -4.322 12.369 11.710 508 H LEU 62 H LEU 62 -3.940 6.784 5.649 509 HA LEU 62 HA LEU 62 -2.916 8.623 3.762 510 1HB LEU 62 1HB LEU 62 -3.022 5.616 3.648 511 2HB LEU 62 2HB LEU 62 -2.102 6.624 2.555 512 HG LEU 62 HG LEU 62 -1.624 6.744 5.519 513 1HD1 LEU 62 1HD1 LEU 62 -0.870 4.633 3.541 514 2HD1 LEU 62 2HD1 LEU 62 0.336 5.116 4.735 515 3HD1 LEU 62 3HD1 LEU 62 -1.222 4.482 5.261 516 1HD2 LEU 62 1HD2 LEU 62 -0.311 7.635 2.996 517 2HD2 LEU 62 2HD2 LEU 62 -0.360 8.421 4.573 518 3HD2 LEU 62 3HD2 LEU 62 0.755 7.084 4.289 519 H MET 63 H MET 63 -5.375 6.081 3.486 520 HA MET 63 HA MET 63 -5.986 6.351 0.775 521 1HB MET 63 1HB MET 63 -7.871 5.711 3.054 522 2HB MET 63 2HB MET 63 -8.223 5.457 1.350 523 1HG MET 63 1HG MET 63 -5.909 4.190 2.841 524 2HG MET 63 2HG MET 63 -7.425 3.378 2.471 525 1HE MET 63 1HE MET 63 -8.192 2.553 0.610 526 2HE MET 63 2HE MET 63 -8.203 3.826 -0.609 527 3HE MET 63 3HE MET 63 -7.386 2.292 -0.934 528 H GLN 64 H GLN 64 -7.279 8.108 3.554 529 HA GLN 64 HA GLN 64 -9.040 9.739 1.950 530 1HB GLN 64 1HB GLN 64 -8.230 9.691 4.839 531 2HB GLN 64 2HB GLN 64 -9.059 11.105 4.185 532 1HG GLN 64 1HG GLN 64 -10.986 9.866 3.623 533 2HG GLN 64 2HG GLN 64 -10.130 8.326 3.714 534 2HE2 GLN 64 2HE2 GLN 64 -12.559 9.503 5.266 535 1HE2 GLN 64 1HE2 GLN 64 -12.157 9.221 6.891 536 H GLN 65 H GLN 65 -5.779 9.972 3.205 537 HA GLN 65 HA GLN 65 -5.455 12.780 2.771 538 1HB GLN 65 1HB GLN 65 -3.640 10.486 3.374 539 2HB GLN 65 2HB GLN 65 -2.934 11.984 2.769 540 1HG GLN 65 1HG GLN 65 -4.955 12.357 4.893 541 2HG GLN 65 2HG GLN 65 -3.504 11.502 5.407 542 2HE2 GLN 65 2HE2 GLN 65 -2.840 13.412 6.680 543 1HE2 GLN 65 1HE2 GLN 65 -2.201 14.779 5.904 544 H LEU 66 H LEU 66 -4.623 9.878 0.919 545 HA LEU 66 HA LEU 66 -3.771 11.557 -1.345 546 1HB LEU 66 1HB LEU 66 -3.571 8.575 -0.948 547 2HB LEU 66 2HB LEU 66 -2.929 9.469 -2.308 548 HG LEU 66 HG LEU 66 -2.032 9.880 0.552 549 1HD1 LEU 66 1HD1 LEU 66 -1.584 7.570 -0.460 550 2HD1 LEU 66 2HD1 LEU 66 -0.558 8.396 -1.632 551 3HD1 LEU 66 3HD1 LEU 66 -0.167 8.468 0.086 552 1HD2 LEU 66 1HD2 LEU 66 -1.363 11.046 -2.105 553 2HD2 LEU 66 2HD2 LEU 66 -1.301 11.786 -0.505 554 3HD2 LEU 66 3HD2 LEU 66 -0.005 10.712 -1.031 555 HA PRO 67 HA PRO 67 -7.587 10.662 -3.381 556 1HB PRO 67 1HB PRO 67 -6.873 11.181 -5.974 557 2HB PRO 67 2HB PRO 67 -7.160 12.435 -4.758 558 1HG PRO 67 1HG PRO 67 -4.599 11.467 -5.893 559 2HG PRO 67 2HG PRO 67 -5.005 13.050 -5.214 560 1HD PRO 67 1HD PRO 67 -3.561 10.990 -3.911 561 2HD PRO 67 2HD PRO 67 -4.230 12.452 -3.148 562 H VAL 68 H VAL 68 -5.525 9.653 -6.084 563 HA VAL 68 HA VAL 68 -5.314 6.937 -5.627 564 HB VAL 68 HB VAL 68 -8.030 7.559 -5.920 565 1HG1 VAL 68 1HG1 VAL 68 -7.742 7.845 -8.371 566 2HG1 VAL 68 2HG1 VAL 68 -7.113 6.201 -8.467 567 3HG1 VAL 68 3HG1 VAL 68 -8.782 6.478 -7.969 568 1HG2 VAL 68 1HG2 VAL 68 -7.065 5.601 -4.804 569 2HG2 VAL 68 2HG2 VAL 68 -8.314 5.113 -5.950 570 3HG2 VAL 68 3HG2 VAL 68 -6.611 4.923 -6.367 571 H THR 69 H THR 69 -4.341 5.865 -7.353 572 HA THR 69 HA THR 69 -3.349 7.642 -9.446 573 HB THR 69 HB THR 69 -1.692 6.264 -8.340 574 HG1 THR 69 HG1 THR 69 -0.945 5.113 -10.208 575 1HG2 THR 69 1HG2 THR 69 -3.572 4.026 -9.094 576 2HG2 THR 69 2HG2 THR 69 -1.878 3.728 -8.704 577 3HG2 THR 69 3HG2 THR 69 -2.949 4.436 -7.496 578 H ALA 70 H ALA 70 -3.059 6.554 -11.664 579 HA ALA 70 HA ALA 70 -4.039 5.785 -13.598 580 1HB ALA 70 1HB ALA 70 -5.722 3.973 -11.868 581 2HB ALA 70 2HB ALA 70 -5.198 3.715 -13.532 582 3HB ALA 70 3HB ALA 70 -4.027 3.633 -12.216 583 H ARG 71 H ARG 71 -6.003 5.868 -14.846 584 HA ARG 71 HA ARG 71 -7.981 6.852 -15.482 585 1HB ARG 71 1HB ARG 71 -8.491 6.041 -12.660 586 2HB ARG 71 2HB ARG 71 -9.633 7.159 -13.407 587 1HG ARG 71 1HG ARG 71 -8.763 4.548 -14.676 588 2HG ARG 71 2HG ARG 71 -10.231 4.730 -13.715 589 1HD ARG 71 1HD ARG 71 -10.576 6.796 -15.397 590 2HD ARG 71 2HD ARG 71 -9.604 5.759 -16.437 591 HE ARG 71 HE ARG 71 -11.524 4.073 -15.477 592 1HH1 ARG 71 1HH1 ARG 71 -11.614 7.195 -17.059 593 2HH1 ARG 71 2HH1 ARG 71 -13.148 6.899 -17.803 594 1HH2 ARG 71 1HH2 ARG 71 -13.521 3.729 -16.467 595 2HH2 ARG 71 2HH2 ARG 71 -14.219 4.956 -17.471 No H/Q in entry = 595 Start of MODEL 15 1 H1 LEU 1 H1 LEU 1 -19.231 -5.040 -20.440 2 H2 LEU 1 H2 LEU 1 -19.734 -6.642 -20.186 3 H3 LEU 1 H3 LEU 1 -20.856 -5.376 -20.075 4 HA LEU 1 HA LEU 1 -19.996 -4.593 -18.072 5 1HB LEU 1 1HB LEU 1 -21.082 -7.020 -18.180 6 2HB LEU 1 2HB LEU 1 -19.472 -7.510 -17.654 7 HG LEU 1 HG LEU 1 -20.731 -5.208 -16.235 8 1HD1 LEU 1 1HD1 LEU 1 -22.559 -6.888 -16.431 9 2HD1 LEU 1 2HD1 LEU 1 -21.494 -8.098 -15.713 10 3HD1 LEU 1 3HD1 LEU 1 -22.002 -6.698 -14.768 11 1HD2 LEU 1 1HD2 LEU 1 -18.421 -6.144 -15.781 12 2HD2 LEU 1 2HD2 LEU 1 -19.484 -6.109 -14.373 13 3HD2 LEU 1 3HD2 LEU 1 -19.203 -7.625 -15.229 14 H GLY 2 H GLY 2 -18.117 -3.540 -17.821 15 1HA GLY 2 1HA GLY 2 -15.752 -4.993 -17.064 16 2HA GLY 2 2HA GLY 2 -15.911 -3.242 -17.177 17 H ALA 3 H ALA 3 -14.321 -2.557 -18.470 18 HA ALA 3 HA ALA 3 -13.551 -4.124 -20.822 19 1HB ALA 3 1HB ALA 3 -15.409 -2.444 -21.430 20 2HB ALA 3 2HB ALA 3 -14.191 -1.199 -21.153 21 3HB ALA 3 3HB ALA 3 -13.938 -2.418 -22.403 22 H SER 4 H SER 4 -12.284 -3.446 -18.295 23 HA SER 4 HA SER 4 -10.009 -1.852 -19.319 24 1HB SER 4 1HB SER 4 -10.765 -2.088 -16.408 25 2HB SER 4 2HB SER 4 -9.621 -0.969 -17.144 26 HG SER 4 HG SER 4 -11.263 0.314 -17.350 27 H TRP 5 H TRP 5 -11.010 -4.455 -17.139 28 HA TRP 5 HA TRP 5 -8.310 -5.637 -17.434 29 1HB TRP 5 1HB TRP 5 -8.747 -6.753 -15.235 30 2HB TRP 5 2HB TRP 5 -8.638 -4.998 -15.125 31 HD1 TRP 5 HD1 TRP 5 -10.727 -3.691 -14.332 32 HE1 TRP 5 HE1 TRP 5 -13.075 -4.383 -13.525 33 HE3 TRP 5 HE3 TRP 5 -10.678 -8.635 -15.613 34 HZ2 TRP 5 HZ2 TRP 5 -14.716 -6.724 -13.434 35 HZ3 TRP 5 HZ3 TRP 5 -12.645 -10.071 -15.154 36 HH2 TRP 5 HH2 TRP 5 -14.662 -9.124 -14.068 37 H HIS 6 H HIS 6 -8.197 -7.939 -17.531 38 HA HIS 6 HA HIS 6 -10.647 -9.148 -18.656 39 1HB HIS 6 1HB HIS 6 -8.328 -8.968 -19.929 40 2HB HIS 6 2HB HIS 6 -7.964 -10.413 -18.985 41 HD1 HIS 6 HD1 HIS 6 -10.650 -9.112 -21.354 42 HD2 HIS 6 HD2 HIS 6 -9.072 -12.734 -20.023 43 HE1 HIS 6 HE1 HIS 6 -11.768 -10.925 -22.723 44 H ARG 7 H ARG 7 -7.709 -10.287 -17.008 45 HA ARG 7 HA ARG 7 -9.353 -11.681 -15.023 46 1HB ARG 7 1HB ARG 7 -7.702 -13.011 -17.117 47 2HB ARG 7 2HB ARG 7 -7.649 -13.686 -15.488 48 1HG ARG 7 1HG ARG 7 -10.305 -13.006 -16.712 49 2HG ARG 7 2HG ARG 7 -9.497 -14.504 -17.175 50 1HD ARG 7 1HD ARG 7 -9.401 -15.234 -14.867 51 2HD ARG 7 2HD ARG 7 -10.025 -13.685 -14.308 52 HE ARG 7 HE ARG 7 -11.567 -15.876 -15.381 53 1HH1 ARG 7 1HH1 ARG 7 -11.449 -12.407 -14.929 54 2HH1 ARG 7 2HH1 ARG 7 -13.167 -12.225 -15.004 55 1HH2 ARG 7 1HH2 ARG 7 -13.802 -15.594 -15.473 56 2HH2 ARG 7 2HH2 ARG 7 -14.489 -14.013 -15.309 57 HA PRO 8 HA PRO 8 -5.484 -9.958 -13.227 58 1HB PRO 8 1HB PRO 8 -6.674 -8.672 -11.132 59 2HB PRO 8 2HB PRO 8 -6.473 -7.955 -12.739 60 1HG PRO 8 1HG PRO 8 -8.922 -8.979 -11.435 61 2HG PRO 8 2HG PRO 8 -8.748 -7.773 -12.718 62 1HD PRO 8 1HD PRO 8 -9.509 -10.501 -13.035 63 2HD PRO 8 2HD PRO 8 -9.132 -9.341 -14.330 64 H ASP 9 H ASP 9 -4.271 -11.089 -11.804 65 HA ASP 9 HA ASP 9 -5.569 -12.449 -9.544 66 1HB ASP 9 1HB ASP 9 -4.215 -14.505 -10.023 67 2HB ASP 9 2HB ASP 9 -5.472 -14.187 -11.218 68 H LYS 10 H LYS 10 -4.590 -11.143 -8.055 69 HA LYS 10 HA LYS 10 -1.945 -11.767 -7.265 70 1HB LYS 10 1HB LYS 10 -0.925 -9.509 -7.622 71 2HB LYS 10 2HB LYS 10 -1.214 -10.397 -9.117 72 1HG LYS 10 1HG LYS 10 -3.536 -9.129 -9.053 73 2HG LYS 10 2HG LYS 10 -2.650 -7.999 -8.030 74 1HD LYS 10 1HD LYS 10 -1.293 -7.298 -9.742 75 2HD LYS 10 2HD LYS 10 -1.293 -8.877 -10.528 76 1HE LYS 10 1HE LYS 10 -3.750 -7.117 -10.451 77 2HE LYS 10 2HE LYS 10 -2.557 -7.011 -11.745 78 1HZ LYS 10 1HZ LYS 10 -2.892 -9.563 -11.838 79 2HZ LYS 10 2HZ LYS 10 -4.365 -9.225 -11.062 80 3HZ LYS 10 3HZ LYS 10 -4.025 -8.542 -12.580 81 H CYS 11 H CYS 11 -2.926 -12.018 -5.274 82 HA CYS 11 HA CYS 11 -3.698 -9.494 -3.936 83 1HB CYS 11 1HB CYS 11 -4.941 -12.210 -3.442 84 2HB CYS 11 2HB CYS 11 -5.376 -10.697 -2.648 85 H CYS 12 H CYS 12 -1.823 -9.143 -2.846 86 HA CYS 12 HA CYS 12 -0.204 -11.113 -1.641 87 1HB CYS 12 1HB CYS 12 0.732 -9.215 -0.308 88 2HB CYS 12 2HB CYS 12 0.687 -8.899 -2.041 89 H LEU 13 H LEU 13 -0.610 -12.379 0.030 90 HA LEU 13 HA LEU 13 -2.913 -12.139 1.662 91 1HB LEU 13 1HB LEU 13 -0.391 -13.744 2.036 92 2HB LEU 13 2HB LEU 13 -1.803 -13.889 3.060 93 HG LEU 13 HG LEU 13 -2.056 -14.296 0.094 94 1HD1 LEU 13 1HD1 LEU 13 -1.094 -16.314 2.144 95 2HD1 LEU 13 2HD1 LEU 13 -1.638 -16.727 0.518 96 3HD1 LEU 13 3HD1 LEU 13 -0.197 -15.734 0.742 97 1HD2 LEU 13 1HD2 LEU 13 -3.469 -15.366 2.559 98 2HD2 LEU 13 2HD2 LEU 13 -4.104 -14.182 1.416 99 3HD2 LEU 13 3HD2 LEU 13 -3.847 -15.850 0.905 100 H GLY 14 H GLY 14 0.480 -12.037 2.716 101 1HA GLY 14 1HA GLY 14 1.526 -10.864 4.404 102 2HA GLY 14 2HA GLY 14 -0.036 -10.853 5.219 103 H TYR 15 H TYR 15 0.350 -8.717 5.963 104 HA TYR 15 HA TYR 15 0.194 -6.643 3.857 105 1HB TYR 15 1HB TYR 15 -1.340 -6.873 6.443 106 2HB TYR 15 2HB TYR 15 -1.141 -5.331 5.612 107 HD1 TYR 15 HD1 TYR 15 -1.946 -5.086 3.235 108 HD2 TYR 15 HD2 TYR 15 -2.868 -8.522 5.640 109 HE1 TYR 15 HE1 TYR 15 -3.780 -5.682 1.678 110 HE2 TYR 15 HE2 TYR 15 -4.703 -9.120 4.083 111 HH TYR 15 HH TYR 15 -4.989 -8.036 1.078 112 H GLN 16 H GLN 16 0.538 -4.395 5.076 113 HA GLN 16 HA GLN 16 3.275 -4.442 5.965 114 1HB GLN 16 1HB GLN 16 2.206 -2.611 4.568 115 2HB GLN 16 2HB GLN 16 1.376 -2.095 6.024 116 1HG GLN 16 1HG GLN 16 4.145 -2.444 6.658 117 2HG GLN 16 2HG GLN 16 4.042 -1.487 5.188 118 2HE2 GLN 16 2HE2 GLN 16 2.438 -1.643 8.427 119 1HE2 GLN 16 1HE2 GLN 16 2.305 0.036 8.591 120 H LYS 17 H LYS 17 4.098 -3.896 7.971 121 HA LYS 17 HA LYS 17 2.143 -3.693 10.176 122 1HB LYS 17 1HB LYS 17 4.519 -5.487 9.896 123 2HB LYS 17 2HB LYS 17 4.104 -4.876 11.498 124 1HG LYS 17 1HG LYS 17 2.816 -6.808 11.435 125 2HG LYS 17 2HG LYS 17 1.664 -5.629 10.804 126 1HD LYS 17 1HD LYS 17 1.777 -6.455 8.665 127 2HD LYS 17 2HD LYS 17 3.470 -6.924 8.824 128 1HE LYS 17 1HE LYS 17 2.499 -8.666 10.560 129 2HE LYS 17 2HE LYS 17 1.005 -8.413 9.658 130 1HZ LYS 17 1HZ LYS 17 3.617 -9.195 8.481 131 2HZ LYS 17 2HZ LYS 17 2.305 -10.238 8.745 132 3HZ LYS 17 3HZ LYS 17 2.168 -8.969 7.624 133 H ARG 18 H ARG 18 4.475 -2.043 8.540 134 HA ARG 18 HA ARG 18 5.209 -0.462 10.929 135 1HB ARG 18 1HB ARG 18 7.355 0.089 9.680 136 2HB ARG 18 2HB ARG 18 7.248 -1.552 10.311 137 1HG ARG 18 1HG ARG 18 7.289 -2.469 8.240 138 2HG ARG 18 2HG ARG 18 6.126 -1.304 7.609 139 1HD ARG 18 1HD ARG 18 8.390 -1.154 6.534 140 2HD ARG 18 2HD ARG 18 7.860 0.348 7.283 141 HE ARG 18 HE ARG 18 9.454 -1.304 9.038 142 1HH1 ARG 18 1HH1 ARG 18 9.536 1.121 6.515 143 2HH1 ARG 18 2HH1 ARG 18 11.097 1.708 6.974 144 1HH2 ARG 18 1HH2 ARG 18 11.487 -0.509 9.602 145 2HH2 ARG 18 2HH2 ARG 18 12.194 0.795 8.706 146 HA PRO 19 HA PRO 19 2.809 2.143 8.041 147 1HB PRO 19 1HB PRO 19 2.386 4.178 9.846 148 2HB PRO 19 2HB PRO 19 1.372 2.736 9.681 149 1HG PRO 19 1HG PRO 19 3.506 3.322 11.692 150 2HG PRO 19 2HG PRO 19 1.949 2.501 11.907 151 1HD PRO 19 1HD PRO 19 4.309 1.134 11.713 152 2HD PRO 19 2HD PRO 19 2.764 0.462 11.134 153 H LEU 20 H LEU 20 3.530 3.482 6.598 154 HA LEU 20 HA LEU 20 6.113 4.793 6.974 155 1HB LEU 20 1HB LEU 20 4.717 5.214 4.424 156 2HB LEU 20 2HB LEU 20 6.355 4.685 4.731 157 HG LEU 20 HG LEU 20 3.866 2.958 4.700 158 1HD1 LEU 20 1HD1 LEU 20 5.202 3.892 2.569 159 2HD1 LEU 20 2HD1 LEU 20 6.236 2.515 2.949 160 3HD1 LEU 20 3HD1 LEU 20 4.524 2.265 2.610 161 1HD2 LEU 20 1HD2 LEU 20 5.869 2.423 6.352 162 2HD2 LEU 20 2HD2 LEU 20 5.141 1.140 5.386 163 3HD2 LEU 20 3HD2 LEU 20 6.657 1.876 4.873 164 HA PRO 21 HA PRO 21 4.257 8.806 7.364 165 1HB PRO 21 1HB PRO 21 6.312 10.386 6.500 166 2HB PRO 21 2HB PRO 21 6.318 9.533 8.053 167 1HG PRO 21 1HG PRO 21 7.857 8.958 5.601 168 2HG PRO 21 2HG PRO 21 8.201 8.510 7.277 169 1HD PRO 21 1HD PRO 21 7.089 6.839 5.233 170 2HD PRO 21 2HD PRO 21 7.318 6.433 6.951 171 H GLN 22 H GLN 22 2.851 9.983 6.152 172 HA GLN 22 HA GLN 22 2.680 9.649 3.326 173 1HB GLN 22 1HB GLN 22 0.771 10.175 4.938 174 2HB GLN 22 2HB GLN 22 1.341 11.844 4.902 175 1HG GLN 22 1HG GLN 22 1.013 10.524 2.260 176 2HG GLN 22 2HG GLN 22 -0.474 10.869 3.143 177 2HE2 GLN 22 2HE2 GLN 22 1.104 12.208 0.734 178 1HE2 GLN 22 1HE2 GLN 22 1.020 13.857 1.127 179 H VAL 23 H VAL 23 4.627 11.684 5.236 180 HA VAL 23 HA VAL 23 4.745 14.082 3.884 181 HB VAL 23 HB VAL 23 5.933 13.591 5.991 182 1HG1 VAL 23 1HG1 VAL 23 6.810 11.330 4.809 183 2HG1 VAL 23 2HG1 VAL 23 8.217 12.360 4.538 184 3HG1 VAL 23 3HG1 VAL 23 7.637 12.072 6.179 185 1HG2 VAL 23 1HG2 VAL 23 6.660 15.359 4.129 186 2HG2 VAL 23 2HG2 VAL 23 7.605 15.132 5.601 187 3HG2 VAL 23 3HG2 VAL 23 8.113 14.360 4.100 188 H LEU 24 H LEU 24 5.854 10.965 2.785 189 HA LEU 24 HA LEU 24 6.923 12.299 0.378 190 1HB LEU 24 1HB LEU 24 8.813 10.964 0.266 191 2HB LEU 24 2HB LEU 24 8.708 11.417 1.948 192 HG LEU 24 HG LEU 24 9.336 9.172 2.018 193 1HD1 LEU 24 1HD1 LEU 24 7.255 9.675 3.369 194 2HD1 LEU 24 2HD1 LEU 24 6.322 8.928 2.073 195 3HD1 LEU 24 3HD1 LEU 24 7.496 7.973 2.977 196 1HD2 LEU 24 1HD2 LEU 24 8.581 9.015 -0.547 197 2HD2 LEU 24 2HD2 LEU 24 8.853 7.575 0.436 198 3HD2 LEU 24 3HD2 LEU 24 7.213 8.170 0.180 199 H LEU 25 H LEU 25 4.546 10.279 1.456 200 HA LEU 25 HA LEU 25 4.615 8.204 -0.499 201 1HB LEU 25 1HB LEU 25 3.158 8.581 1.711 202 2HB LEU 25 2HB LEU 25 2.018 9.204 0.542 203 HG LEU 25 HG LEU 25 1.923 7.068 -0.588 204 1HD1 LEU 25 1HD1 LEU 25 4.344 6.546 1.067 205 2HD1 LEU 25 2HD1 LEU 25 3.255 5.185 0.801 206 3HD1 LEU 25 3HD1 LEU 25 3.970 6.022 -0.575 207 1HD2 LEU 25 1HD2 LEU 25 1.568 7.222 2.368 208 2HD2 LEU 25 2HD2 LEU 25 0.373 6.917 1.108 209 3HD2 LEU 25 3HD2 LEU 25 1.452 5.624 1.630 210 H SER 26 H SER 26 2.731 8.020 -2.135 211 HA SER 26 HA SER 26 2.383 10.631 -3.490 212 1HB SER 26 1HB SER 26 3.934 8.608 -4.462 213 2HB SER 26 2HB SER 26 2.385 8.237 -5.214 214 HG SER 26 HG SER 26 4.128 10.108 -5.883 215 H SER 27 H SER 27 1.155 7.312 -3.966 216 HA SER 27 HA SER 27 -1.564 8.153 -3.345 217 1HB SER 27 1HB SER 27 -2.501 7.730 -5.498 218 2HB SER 27 2HB SER 27 -1.127 8.797 -5.771 219 HG SER 27 HG SER 27 -0.685 7.238 -7.161 220 H TRP 28 H TRP 28 -2.895 6.005 -4.574 221 HA TRP 28 HA TRP 28 -1.535 3.545 -3.786 222 1HB TRP 28 1HB TRP 28 -3.467 2.885 -2.305 223 2HB TRP 28 2HB TRP 28 -2.446 4.163 -1.648 224 HD1 TRP 28 HD1 TRP 28 -3.407 6.662 -1.699 225 HE1 TRP 28 HE1 TRP 28 -5.823 7.556 -1.779 226 HE3 TRP 28 HE3 TRP 28 -5.868 2.440 -3.201 227 HZ2 TRP 28 HZ2 TRP 28 -8.448 6.604 -2.400 228 HZ3 TRP 28 HZ3 TRP 28 -8.320 2.467 -3.532 229 HH2 TRP 28 HH2 TRP 28 -9.614 4.543 -3.132 230 H TYR 29 H TYR 29 -2.303 1.770 -4.855 231 HA TYR 29 HA TYR 29 -4.683 2.203 -6.549 232 1HB TYR 29 1HB TYR 29 -3.700 0.974 -8.329 233 2HB TYR 29 2HB TYR 29 -2.463 2.096 -7.783 234 HD1 TYR 29 HD1 TYR 29 -0.545 1.266 -6.379 235 HD2 TYR 29 HD2 TYR 29 -3.429 -1.397 -8.129 236 HE1 TYR 29 HE1 TYR 29 0.999 -0.641 -6.032 237 HE2 TYR 29 HE2 TYR 29 -1.881 -3.302 -7.780 238 HH TYR 29 HH TYR 29 0.137 -3.730 -6.023 239 HA PRO 30 HA PRO 30 -6.155 -1.382 -4.358 240 1HB PRO 30 1HB PRO 30 -8.493 -1.736 -5.724 241 2HB PRO 30 2HB PRO 30 -8.242 -0.463 -4.519 242 1HG PRO 30 1HG PRO 30 -8.410 -0.252 -7.463 243 2HG PRO 30 2HG PRO 30 -8.736 0.968 -6.224 244 1HD PRO 30 1HD PRO 30 -6.383 0.740 -7.818 245 2HD PRO 30 2HD PRO 30 -6.640 1.837 -6.441 246 H THR 31 H THR 31 -6.318 -3.620 -4.574 247 HA THR 31 HA THR 31 -5.472 -4.702 -7.189 248 HB THR 31 HB THR 31 -3.933 -5.238 -5.392 249 HG1 THR 31 HG1 THR 31 -4.001 -7.459 -5.579 250 1HG2 THR 31 1HG2 THR 31 -6.462 -5.770 -3.946 251 2HG2 THR 31 2HG2 THR 31 -5.137 -6.884 -3.608 252 3HG2 THR 31 3HG2 THR 31 -4.925 -5.154 -3.340 253 H SER 32 H SER 32 -6.219 -7.154 -7.312 254 HA SER 32 HA SER 32 -8.985 -7.143 -7.809 255 1HB SER 32 1HB SER 32 -7.674 -9.749 -7.234 256 2HB SER 32 2HB SER 32 -8.707 -9.281 -8.580 257 HG SER 32 HG SER 32 -6.893 -7.956 -9.278 258 H GLN 33 H GLN 33 -10.698 -7.404 -6.532 259 HA GLN 33 HA GLN 33 -10.264 -8.150 -3.731 260 1HB GLN 33 1HB GLN 33 -12.588 -7.296 -3.436 261 2HB GLN 33 2HB GLN 33 -11.477 -6.083 -4.063 262 1HG GLN 33 1HG GLN 33 -12.407 -6.148 -6.201 263 2HG GLN 33 2HG GLN 33 -13.045 -7.779 -5.982 264 2HE2 GLN 33 2HE2 GLN 33 -13.497 -4.423 -4.758 265 1HE2 GLN 33 1HE2 GLN 33 -15.156 -4.603 -4.449 266 H LEU 34 H LEU 34 -10.290 -10.130 -5.946 267 HA LEU 34 HA LEU 34 -12.672 -11.693 -5.154 268 1HB LEU 34 1HB LEU 34 -12.324 -12.947 -7.251 269 2HB LEU 34 2HB LEU 34 -12.690 -11.256 -7.511 270 HG LEU 34 HG LEU 34 -10.008 -11.109 -7.586 271 1HD1 LEU 34 1HD1 LEU 34 -10.741 -13.962 -8.081 272 2HD1 LEU 34 2HD1 LEU 34 -9.472 -13.240 -9.070 273 3HD1 LEU 34 3HD1 LEU 34 -9.302 -13.291 -7.315 274 1HD2 LEU 34 1HD2 LEU 34 -11.851 -11.998 -9.820 275 2HD2 LEU 34 2HD2 LEU 34 -11.486 -10.336 -9.354 276 3HD2 LEU 34 3HD2 LEU 34 -10.229 -11.348 -10.067 277 H CYS 35 H CYS 35 -10.193 -11.490 -3.647 278 HA CYS 35 HA CYS 35 -9.235 -14.282 -3.895 279 1HB CYS 35 1HB CYS 35 -7.709 -11.916 -2.780 280 2HB CYS 35 2HB CYS 35 -7.100 -13.559 -2.975 281 H SER 36 H SER 36 -7.983 -14.676 -1.584 282 HA SER 36 HA SER 36 -10.053 -15.129 0.271 283 1HB SER 36 1HB SER 36 -7.051 -15.166 0.541 284 2HB SER 36 2HB SER 36 -8.120 -15.544 1.888 285 HG SER 36 HG SER 36 -8.034 -16.819 -0.652 286 H LYS 37 H LYS 37 -7.340 -12.834 0.440 287 HA LYS 37 HA LYS 37 -9.059 -10.972 1.930 288 1HB LYS 37 1HB LYS 37 -7.139 -10.538 3.521 289 2HB LYS 37 2HB LYS 37 -7.951 -12.089 3.732 290 1HG LYS 37 1HG LYS 37 -6.125 -13.283 3.077 291 2HG LYS 37 2HG LYS 37 -5.698 -12.127 1.817 292 1HD LYS 37 1HD LYS 37 -4.368 -10.886 3.211 293 2HD LYS 37 2HD LYS 37 -5.388 -11.187 4.619 294 1HE LYS 37 1HE LYS 37 -3.719 -13.374 3.373 295 2HE LYS 37 2HE LYS 37 -3.067 -12.299 4.610 296 1HZ LYS 37 1HZ LYS 37 -5.642 -13.647 5.059 297 2HZ LYS 37 2HZ LYS 37 -4.196 -14.507 5.296 298 3HZ LYS 37 3HZ LYS 37 -4.502 -13.101 6.194 299 HA PRO 38 HA PRO 38 -6.482 -8.743 -1.141 300 1HB PRO 38 1HB PRO 38 -8.505 -7.213 -2.155 301 2HB PRO 38 2HB PRO 38 -8.130 -8.847 -2.724 302 1HG PRO 38 1HG PRO 38 -10.394 -7.910 -1.070 303 2HG PRO 38 2HG PRO 38 -10.274 -9.333 -2.115 304 1HD PRO 38 1HD PRO 38 -10.053 -9.278 0.727 305 2HD PRO 38 2HD PRO 38 -9.740 -10.665 -0.343 306 H GLY 39 H GLY 39 -6.054 -6.393 -1.403 307 1HA GLY 39 1HA GLY 39 -5.454 -5.000 0.823 308 2HA GLY 39 2HA GLY 39 -7.147 -4.576 0.587 309 H VAL 40 H VAL 40 -4.635 -2.961 0.392 310 HA VAL 40 HA VAL 40 -4.714 -2.185 -2.452 311 HB VAL 40 HB VAL 40 -4.865 -0.166 -0.205 312 1HG1 VAL 40 1HG1 VAL 40 -3.933 0.192 -2.701 313 2HG1 VAL 40 2HG1 VAL 40 -5.654 0.412 -3.006 314 3HG1 VAL 40 3HG1 VAL 40 -4.830 1.435 -1.831 315 1HG2 VAL 40 1HG2 VAL 40 -6.932 -1.656 -0.507 316 2HG2 VAL 40 2HG2 VAL 40 -7.187 0.082 -0.648 317 3HG2 VAL 40 3HG2 VAL 40 -7.093 -0.914 -2.099 318 H ILE 41 H ILE 41 -2.821 -1.426 -3.263 319 HA ILE 41 HA ILE 41 -0.500 -1.548 -1.454 320 HB ILE 41 HB ILE 41 -0.770 -1.958 -4.437 321 1HG1 ILE 41 1HG1 ILE 41 0.464 -4.121 -3.616 322 2HG1 ILE 41 2HG1 ILE 41 -0.157 -3.643 -2.036 323 1HG2 ILE 41 1HG2 ILE 41 1.765 -1.792 -2.770 324 2HG2 ILE 41 2HG2 ILE 41 1.691 -2.371 -4.435 325 3HG2 ILE 41 3HG2 ILE 41 1.299 -0.690 -4.067 326 1HD1 ILE 41 1HD1 ILE 41 -2.024 -3.682 -4.384 327 2HD1 ILE 41 2HD1 ILE 41 -1.604 -5.202 -3.594 328 3HD1 ILE 41 3HD1 ILE 41 -2.380 -3.915 -2.671 329 H PHE 42 H PHE 42 0.619 0.235 -1.020 330 HA PHE 42 HA PHE 42 -0.187 2.755 -2.246 331 1HB PHE 42 1HB PHE 42 1.589 2.022 0.076 332 2HB PHE 42 2HB PHE 42 1.593 3.651 -0.598 333 HD1 PHE 42 HD1 PHE 42 -0.538 1.055 0.981 334 HD2 PHE 42 HD2 PHE 42 -0.221 5.162 -0.231 335 HE1 PHE 42 HE1 PHE 42 -2.605 1.586 2.239 336 HE2 PHE 42 HE2 PHE 42 -2.291 5.694 1.026 337 HZ PHE 42 HZ PHE 42 -3.482 3.907 2.266 338 H LEU 43 H LEU 43 1.515 4.297 -2.921 339 HA LEU 43 HA LEU 43 3.939 3.028 -3.999 340 1HB LEU 43 1HB LEU 43 2.433 4.905 -5.758 341 2HB LEU 43 2HB LEU 43 3.597 3.674 -6.189 342 HG LEU 43 HG LEU 43 0.897 2.901 -5.112 343 1HD1 LEU 43 1HD1 LEU 43 1.611 3.632 -7.967 344 2HD1 LEU 43 2HD1 LEU 43 0.142 2.779 -7.495 345 3HD1 LEU 43 3HD1 LEU 43 0.417 4.432 -6.944 346 1HD2 LEU 43 1HD2 LEU 43 3.192 1.638 -6.521 347 2HD2 LEU 43 2HD2 LEU 43 2.089 0.952 -5.329 348 3HD2 LEU 43 3HD2 LEU 43 1.586 1.100 -7.013 349 H THR 44 H THR 44 5.298 4.190 -2.681 350 HA THR 44 HA THR 44 4.991 6.926 -2.029 351 HB THR 44 HB THR 44 7.340 6.825 -1.326 352 HG1 THR 44 HG1 THR 44 7.286 4.306 -2.624 353 1HG2 THR 44 1HG2 THR 44 5.417 4.647 -0.663 354 2HG2 THR 44 2HG2 THR 44 7.066 4.484 -0.060 355 3HG2 THR 44 3HG2 THR 44 6.103 5.895 0.377 356 H LYS 45 H LYS 45 6.689 8.598 -2.664 357 HA LYS 45 HA LYS 45 6.471 9.160 -5.417 358 1HB LYS 45 1HB LYS 45 8.266 10.272 -3.259 359 2HB LYS 45 2HB LYS 45 8.306 10.868 -4.920 360 1HG LYS 45 1HG LYS 45 6.244 11.862 -4.761 361 2HG LYS 45 2HG LYS 45 5.623 10.637 -3.654 362 1HD LYS 45 1HD LYS 45 5.847 12.356 -2.146 363 2HD LYS 45 2HD LYS 45 7.491 11.726 -2.057 364 1HE LYS 45 1HE LYS 45 6.858 13.749 -4.169 365 2HE LYS 45 2HE LYS 45 7.054 14.305 -2.507 366 1HZ LYS 45 1HZ LYS 45 9.029 12.562 -3.862 367 2HZ LYS 45 2HZ LYS 45 9.126 14.257 -3.893 368 3HZ LYS 45 3HZ LYS 45 9.222 13.425 -2.415 369 H ARG 46 H ARG 46 9.359 8.248 -3.536 370 HA ARG 46 HA ARG 46 10.450 6.978 -5.974 371 1HB ARG 46 1HB ARG 46 11.514 9.205 -5.466 372 2HB ARG 46 2HB ARG 46 12.093 8.498 -3.955 373 1HG ARG 46 1HG ARG 46 13.519 7.000 -5.047 374 2HG ARG 46 2HG ARG 46 12.613 7.087 -6.558 375 1HD ARG 46 1HD ARG 46 14.518 8.368 -7.030 376 2HD ARG 46 2HD ARG 46 13.329 9.586 -6.579 377 HE ARG 46 HE ARG 46 14.689 10.121 -4.793 378 1HH1 ARG 46 1HH1 ARG 46 15.376 6.837 -5.794 379 2HH1 ARG 46 2HH1 ARG 46 16.667 6.641 -4.659 380 1HH2 ARG 46 1HH2 ARG 46 16.379 9.822 -3.329 381 2HH2 ARG 46 2HH2 ARG 46 17.231 8.316 -3.275 382 H GLY 47 H GLY 47 9.392 6.392 -2.901 383 1HA GLY 47 1HA GLY 47 9.892 4.848 -1.260 384 2HA GLY 47 2HA GLY 47 11.515 4.722 -1.930 385 H ARG 48 H ARG 48 8.551 3.193 -1.544 386 HA ARG 48 HA ARG 48 8.787 1.447 -3.870 387 1HB ARG 48 1HB ARG 48 9.682 0.680 -1.149 388 2HB ARG 48 2HB ARG 48 8.684 -0.502 -1.993 389 1HG ARG 48 1HG ARG 48 10.274 -0.029 -4.014 390 2HG ARG 48 2HG ARG 48 11.363 0.612 -2.783 391 1HD ARG 48 1HD ARG 48 10.102 -2.046 -2.279 392 2HD ARG 48 2HD ARG 48 11.399 -1.966 -3.468 393 HE ARG 48 HE ARG 48 11.662 -1.682 -0.605 394 1HH1 ARG 48 1HH1 ARG 48 13.058 -0.868 -3.709 395 2HH1 ARG 48 2HH1 ARG 48 14.648 -0.648 -3.065 396 1HH2 ARG 48 1HH2 ARG 48 13.749 -1.386 0.195 397 2HH2 ARG 48 2HH2 ARG 48 15.038 -0.939 -0.873 398 H GLN 49 H GLN 49 7.184 -0.573 -3.273 399 HA GLN 49 HA GLN 49 4.614 0.738 -2.751 400 1HB GLN 49 1HB GLN 49 5.466 -1.766 -4.156 401 2HB GLN 49 2HB GLN 49 3.824 -1.654 -3.524 402 1HG GLN 49 1HG GLN 49 3.431 -0.691 -5.567 403 2HG GLN 49 2HG GLN 49 3.990 0.755 -4.725 404 2HE2 GLN 49 2HE2 GLN 49 4.937 -1.742 -7.058 405 1HE2 GLN 49 1HE2 GLN 49 6.334 -0.947 -7.603 406 H VAL 50 H VAL 50 2.982 -0.472 -1.465 407 HA VAL 50 HA VAL 50 4.047 -2.381 0.478 408 HB VAL 50 HB VAL 50 2.935 0.299 1.351 409 1HG1 VAL 50 1HG1 VAL 50 2.277 -1.641 2.802 410 2HG1 VAL 50 2HG1 VAL 50 3.989 -2.001 3.023 411 3HG1 VAL 50 3HG1 VAL 50 3.323 -0.482 3.622 412 1HG2 VAL 50 1HG2 VAL 50 5.688 -0.941 1.401 413 2HG2 VAL 50 2HG2 VAL 50 5.205 0.602 0.697 414 3HG2 VAL 50 3HG2 VAL 50 5.242 0.406 2.450 415 H CYS 51 H CYS 51 2.582 -3.883 0.851 416 HA CYS 51 HA CYS 51 -0.156 -3.598 -0.048 417 1HB CYS 51 1HB CYS 51 1.540 -5.781 1.067 418 2HB CYS 51 2HB CYS 51 -0.198 -5.917 1.319 419 H ALA 52 H ALA 52 -1.793 -2.804 1.169 420 HA ALA 52 HA ALA 52 -1.825 -3.274 4.040 421 1HB ALA 52 1HB ALA 52 -0.564 -0.991 3.247 422 2HB ALA 52 2HB ALA 52 -2.219 -0.416 3.442 423 3HB ALA 52 3HB ALA 52 -1.388 -1.187 4.793 424 H ASP 53 H ASP 53 -3.836 -3.511 4.756 425 HA ASP 53 HA ASP 53 -6.042 -3.185 2.910 426 1HB ASP 53 1HB ASP 53 -5.659 -4.399 5.606 427 2HB ASP 53 2HB ASP 53 -7.288 -3.880 5.170 428 H LYS 54 H LYS 54 -7.518 -1.586 2.885 429 HA LYS 54 HA LYS 54 -7.020 0.884 4.122 430 1HB LYS 54 1HB LYS 54 -9.365 1.455 3.441 431 2HB LYS 54 2HB LYS 54 -8.384 0.791 2.133 432 1HG LYS 54 1HG LYS 54 -9.566 -1.182 2.060 433 2HG LYS 54 2HG LYS 54 -9.933 -1.148 3.784 434 1HD LYS 54 1HD LYS 54 -11.397 0.930 3.183 435 2HD LYS 54 2HD LYS 54 -11.309 0.303 1.536 436 1HE LYS 54 1HE LYS 54 -12.584 -1.543 2.022 437 2HE LYS 54 2HE LYS 54 -11.977 -1.656 3.674 438 1HZ LYS 54 1HZ LYS 54 -13.271 0.538 3.986 439 2HZ LYS 54 2HZ LYS 54 -14.115 0.054 2.594 440 3HZ LYS 54 3HZ LYS 54 -14.124 -0.928 3.980 441 H SER 55 H SER 55 -8.715 -1.931 5.269 442 HA SER 55 HA SER 55 -10.399 -0.820 7.202 443 1HB SER 55 1HB SER 55 -9.133 -3.448 6.762 444 2HB SER 55 2HB SER 55 -9.627 -3.117 8.418 445 HG SER 55 HG SER 55 -11.418 -3.908 7.462 446 H LYS 56 H LYS 56 -6.934 -1.140 7.162 447 HA LYS 56 HA LYS 56 -6.353 -1.059 9.904 448 1HB LYS 56 1HB LYS 56 -4.904 -0.291 7.417 449 2HB LYS 56 2HB LYS 56 -4.276 0.319 8.948 450 1HG LYS 56 1HG LYS 56 -4.977 -2.595 8.570 451 2HG LYS 56 2HG LYS 56 -3.384 -1.962 8.153 452 1HD LYS 56 1HD LYS 56 -2.855 -1.455 10.364 453 2HD LYS 56 2HD LYS 56 -4.547 -1.337 10.849 454 1HE LYS 56 1HE LYS 56 -4.629 -3.883 10.245 455 2HE LYS 56 2HE LYS 56 -2.875 -3.799 10.412 456 1HZ LYS 56 1HZ LYS 56 -4.642 -2.698 12.500 457 2HZ LYS 56 2HZ LYS 56 -4.274 -4.353 12.468 458 3HZ LYS 56 3HZ LYS 56 -3.028 -3.210 12.629 459 H ASP 57 H ASP 57 -4.988 1.041 10.667 460 HA ASP 57 HA ASP 57 -6.985 3.204 10.702 461 1HB ASP 57 1HB ASP 57 -5.886 2.046 12.816 462 2HB ASP 57 2HB ASP 57 -4.594 3.203 12.493 463 H TRP 58 H TRP 58 -3.426 2.879 10.663 464 HA TRP 58 HA TRP 58 -2.949 5.543 9.860 465 1HB TRP 58 1HB TRP 58 -0.677 4.785 9.276 466 2HB TRP 58 2HB TRP 58 -1.174 4.185 10.855 467 HD1 TRP 58 HD1 TRP 58 -1.865 1.574 11.013 468 HE1 TRP 58 HE1 TRP 58 -1.105 -0.444 9.601 469 HE3 TRP 58 HE3 TRP 58 0.014 4.002 6.942 470 HZ2 TRP 58 HZ2 TRP 58 0.143 -0.965 7.064 471 HZ3 TRP 58 HZ3 TRP 58 0.979 2.735 5.048 472 HH2 TRP 58 HH2 TRP 58 1.051 0.263 5.104 473 H VAL 59 H VAL 59 -3.684 2.642 8.072 474 HA VAL 59 HA VAL 59 -2.970 3.696 5.502 475 HB VAL 59 HB VAL 59 -4.833 1.413 6.191 476 1HG1 VAL 59 1HG1 VAL 59 -3.658 2.497 3.662 477 2HG1 VAL 59 2HG1 VAL 59 -3.797 0.746 3.822 478 3HG1 VAL 59 3HG1 VAL 59 -5.236 1.758 3.937 479 1HG2 VAL 59 1HG2 VAL 59 -1.845 1.626 5.826 480 2HG2 VAL 59 2HG2 VAL 59 -2.736 0.868 7.145 481 3HG2 VAL 59 3HG2 VAL 59 -2.693 0.104 5.556 482 H LYS 60 H LYS 60 -5.961 3.359 7.354 483 HA LYS 60 HA LYS 60 -7.787 4.267 5.448 484 1HB LYS 60 1HB LYS 60 -8.280 3.320 7.768 485 2HB LYS 60 2HB LYS 60 -7.975 4.945 8.383 486 1HG LYS 60 1HG LYS 60 -9.781 5.869 7.144 487 2HG LYS 60 2HG LYS 60 -9.925 4.430 6.134 488 1HD LYS 60 1HD LYS 60 -10.672 3.118 8.064 489 2HD LYS 60 2HD LYS 60 -10.466 4.517 9.118 490 1HE LYS 60 1HE LYS 60 -12.763 4.573 8.627 491 2HE LYS 60 2HE LYS 60 -12.085 5.710 7.461 492 1HZ LYS 60 1HZ LYS 60 -11.928 3.731 5.917 493 2HZ LYS 60 2HZ LYS 60 -12.939 2.915 7.007 494 3HZ LYS 60 3HZ LYS 60 -13.489 4.323 6.232 495 H LYS 61 H LYS 61 -5.565 6.058 7.503 496 HA LYS 61 HA LYS 61 -6.731 8.629 6.914 497 1HB LYS 61 1HB LYS 61 -4.245 7.680 8.290 498 2HB LYS 61 2HB LYS 61 -4.343 9.362 7.767 499 1HG LYS 61 1HG LYS 61 -6.582 9.490 8.957 500 2HG LYS 61 2HG LYS 61 -6.217 7.909 9.649 501 1HD LYS 61 1HD LYS 61 -5.491 9.529 11.260 502 2HD LYS 61 2HD LYS 61 -4.030 8.914 10.483 503 1HE LYS 61 1HE LYS 61 -3.904 10.857 9.042 504 2HE LYS 61 2HE LYS 61 -5.466 11.438 9.618 505 1HZ LYS 61 1HZ LYS 61 -3.297 10.942 11.540 506 2HZ LYS 61 2HZ LYS 61 -3.295 12.378 10.631 507 3HZ LYS 61 3HZ LYS 61 -4.605 12.021 11.649 508 H LEU 62 H LEU 62 -4.124 6.650 5.624 509 HA LEU 62 HA LEU 62 -3.058 8.643 3.877 510 1HB LEU 62 1HB LEU 62 -2.934 5.636 3.737 511 2HB LEU 62 2HB LEU 62 -2.030 6.717 2.700 512 HG LEU 62 HG LEU 62 -1.706 7.019 5.652 513 1HD1 LEU 62 1HD1 LEU 62 -0.944 4.643 4.019 514 2HD1 LEU 62 2HD1 LEU 62 0.255 5.258 5.158 515 3HD1 LEU 62 3HD1 LEU 62 -1.333 4.754 5.735 516 1HD2 LEU 62 1HD2 LEU 62 -0.241 7.593 3.129 517 2HD2 LEU 62 2HD2 LEU 62 -0.316 8.526 4.622 518 3HD2 LEU 62 3HD2 LEU 62 0.752 7.127 4.509 519 H MET 63 H MET 63 -5.378 6.000 3.501 520 HA MET 63 HA MET 63 -5.851 6.209 0.748 521 1HB MET 63 1HB MET 63 -7.779 5.469 2.961 522 2HB MET 63 2HB MET 63 -8.091 5.234 1.245 523 1HG MET 63 1HG MET 63 -5.744 4.034 2.740 524 2HG MET 63 2HG MET 63 -7.228 3.169 2.357 525 1HE MET 63 1HE MET 63 -7.915 2.273 0.538 526 2HE MET 63 2HE MET 63 -8.022 3.509 -0.712 527 3HE MET 63 3HE MET 63 -7.095 2.041 -1.012 528 H GLN 64 H GLN 64 -7.319 7.925 3.461 529 HA GLN 64 HA GLN 64 -9.079 9.474 1.765 530 1HB GLN 64 1HB GLN 64 -9.483 8.834 4.229 531 2HB GLN 64 2HB GLN 64 -8.368 10.146 4.615 532 1HG GLN 64 1HG GLN 64 -9.898 11.513 2.946 533 2HG GLN 64 2HG GLN 64 -11.088 10.278 3.359 534 2HE2 GLN 64 2HE2 GLN 64 -11.237 9.879 5.877 535 1HE2 GLN 64 1HE2 GLN 64 -11.200 11.272 6.845 536 H GLN 65 H GLN 65 -5.912 9.836 3.213 537 HA GLN 65 HA GLN 65 -5.689 12.660 2.791 538 1HB GLN 65 1HB GLN 65 -3.815 10.456 3.538 539 2HB GLN 65 2HB GLN 65 -3.143 11.989 2.982 540 1HG GLN 65 1HG GLN 65 -5.332 12.259 4.949 541 2HG GLN 65 2HG GLN 65 -3.884 11.474 5.572 542 2HE2 GLN 65 2HE2 GLN 65 -1.830 12.801 4.255 543 1HE2 GLN 65 1HE2 GLN 65 -1.865 14.455 4.634 544 H LEU 66 H LEU 66 -4.973 9.791 0.902 545 HA LEU 66 HA LEU 66 -3.871 11.488 -1.254 546 1HB LEU 66 1HB LEU 66 -3.714 8.495 -0.916 547 2HB LEU 66 2HB LEU 66 -2.965 9.428 -2.191 548 HG LEU 66 HG LEU 66 -2.265 9.507 0.753 549 1HD1 LEU 66 1HD1 LEU 66 -1.490 7.527 -0.596 550 2HD1 LEU 66 2HD1 LEU 66 -0.632 8.648 -1.653 551 3HD1 LEU 66 3HD1 LEU 66 -0.174 8.511 0.044 552 1HD2 LEU 66 1HD2 LEU 66 -1.208 11.085 -1.614 553 2HD2 LEU 66 2HD2 LEU 66 -2.014 11.734 -0.186 554 3HD2 LEU 66 3HD2 LEU 66 -0.411 11.014 -0.043 555 HA PRO 67 HA PRO 67 -7.569 10.674 -3.515 556 1HB PRO 67 1HB PRO 67 -6.673 11.036 -6.081 557 2HB PRO 67 2HB PRO 67 -6.983 12.359 -4.946 558 1HG PRO 67 1HG PRO 67 -4.394 11.217 -5.843 559 2HG PRO 67 2HG PRO 67 -4.780 12.861 -5.315 560 1HD PRO 67 1HD PRO 67 -3.495 10.900 -3.757 561 2HD PRO 67 2HD PRO 67 -4.235 12.396 -3.140 562 H VAL 68 H VAL 68 -5.310 9.448 -5.963 563 HA VAL 68 HA VAL 68 -5.348 6.746 -5.337 564 HB VAL 68 HB VAL 68 -7.921 7.425 -5.945 565 1HG1 VAL 68 1HG1 VAL 68 -6.744 6.381 -8.535 566 2HG1 VAL 68 2HG1 VAL 68 -8.466 6.535 -8.178 567 3HG1 VAL 68 3HG1 VAL 68 -7.456 7.976 -8.291 568 1HG2 VAL 68 1HG2 VAL 68 -6.853 5.278 -5.046 569 2HG2 VAL 68 2HG2 VAL 68 -8.330 5.098 -5.994 570 3HG2 VAL 68 3HG2 VAL 68 -6.764 4.755 -6.728 571 H THR 69 H THR 69 -4.914 5.366 -7.387 572 HA THR 69 HA THR 69 -2.801 6.718 -8.833 573 HB THR 69 HB THR 69 -2.931 4.295 -10.031 574 HG1 THR 69 HG1 THR 69 -3.778 3.765 -7.391 575 1HG2 THR 69 1HG2 THR 69 -1.204 5.541 -8.400 576 2HG2 THR 69 2HG2 THR 69 -1.777 4.301 -7.284 577 3HG2 THR 69 3HG2 THR 69 -1.036 3.836 -8.815 578 H ALA 70 H ALA 70 -5.543 4.721 -9.946 579 HA ALA 70 HA ALA 70 -5.463 5.641 -12.614 580 1HB ALA 70 1HB ALA 70 -6.685 3.695 -12.460 581 2HB ALA 70 2HB ALA 70 -7.448 4.169 -10.942 582 3HB ALA 70 3HB ALA 70 -8.002 4.868 -12.464 583 H ARG 71 H ARG 71 -8.104 6.275 -10.311 584 HA ARG 71 HA ARG 71 -8.022 9.090 -10.481 585 1HB ARG 71 1HB ARG 71 -8.678 8.478 -12.877 586 2HB ARG 71 2HB ARG 71 -10.213 7.929 -12.201 587 1HG ARG 71 1HG ARG 71 -10.334 10.244 -11.070 588 2HG ARG 71 2HG ARG 71 -9.055 10.716 -12.189 589 1HD ARG 71 1HD ARG 71 -11.795 9.653 -12.915 590 2HD ARG 71 2HD ARG 71 -11.197 11.288 -13.177 591 HE ARG 71 HE ARG 71 -10.698 9.001 -14.839 592 1HH1 ARG 71 1HH1 ARG 71 -9.331 12.017 -13.703 593 2HH1 ARG 71 2HH1 ARG 71 -8.316 12.210 -15.089 594 1HH2 ARG 71 1HH2 ARG 71 -9.357 9.292 -16.629 595 2HH2 ARG 71 2HH2 ARG 71 -8.329 10.681 -16.734 No H/Q in entry = 595 Start of MODEL 16 1 H1 LEU 1 H1 LEU 1 -6.352 -23.909 3.004 2 H2 LEU 1 H2 LEU 1 -7.409 -23.643 1.705 3 H3 LEU 1 H3 LEU 1 -7.416 -25.138 2.512 4 HA LEU 1 HA LEU 1 -5.442 -25.832 1.579 5 1HB LEU 1 1HB LEU 1 -7.464 -25.161 -0.067 6 2HB LEU 1 2HB LEU 1 -6.215 -24.100 -0.717 7 HG LEU 1 HG LEU 1 -5.426 -26.915 -0.149 8 1HD1 LEU 1 1HD1 LEU 1 -7.689 -27.059 -1.246 9 2HD1 LEU 1 2HD1 LEU 1 -7.027 -26.158 -2.610 10 3HD1 LEU 1 3HD1 LEU 1 -6.385 -27.751 -2.211 11 1HD2 LEU 1 1HD2 LEU 1 -3.950 -25.058 -1.097 12 2HD2 LEU 1 2HD2 LEU 1 -3.988 -26.552 -2.032 13 3HD2 LEU 1 3HD2 LEU 1 -4.926 -25.155 -2.562 14 H GLY 2 H GLY 2 -3.322 -25.424 1.110 15 1HA GLY 2 1HA GLY 2 -1.822 -23.481 2.070 16 2HA GLY 2 2HA GLY 2 -2.451 -22.659 0.645 17 H ALA 3 H ALA 3 -0.118 -22.561 0.104 18 HA ALA 3 HA ALA 3 1.379 -24.897 -0.509 19 1HB ALA 3 1HB ALA 3 -0.176 -25.291 -2.292 20 2HB ALA 3 2HB ALA 3 1.289 -24.634 -3.021 21 3HB ALA 3 3HB ALA 3 -0.121 -23.601 -2.791 22 H SER 4 H SER 4 3.437 -24.287 -0.512 23 HA SER 4 HA SER 4 5.326 -22.980 -0.627 24 1HB SER 4 1HB SER 4 4.784 -22.818 -3.015 25 2HB SER 4 2HB SER 4 3.700 -21.469 -2.688 26 HG SER 4 HG SER 4 5.628 -20.573 -3.246 27 H TRP 5 H TRP 5 6.117 -20.659 -0.357 28 HA TRP 5 HA TRP 5 4.305 -19.283 1.532 29 1HB TRP 5 1HB TRP 5 7.174 -18.519 1.522 30 2HB TRP 5 2HB TRP 5 6.070 -18.727 2.875 31 HD1 TRP 5 HD1 TRP 5 6.129 -20.986 4.139 32 HE1 TRP 5 HE1 TRP 5 7.502 -23.156 3.879 33 HE3 TRP 5 HE3 TRP 5 8.321 -20.095 -0.380 34 HZ2 TRP 5 HZ2 TRP 5 9.296 -24.353 1.996 35 HZ3 TRP 5 HZ3 TRP 5 9.858 -21.763 -1.386 36 HH2 TRP 5 HH2 TRP 5 10.347 -23.888 -0.205 37 H HIS 6 H HIS 6 6.422 -18.898 -1.232 38 HA HIS 6 HA HIS 6 6.443 -16.099 -1.427 39 1HB HIS 6 1HB HIS 6 6.567 -18.206 -3.592 40 2HB HIS 6 2HB HIS 6 6.869 -16.490 -3.865 41 HD1 HIS 6 HD1 HIS 6 9.378 -17.020 -4.456 42 HD2 HIS 6 HD2 HIS 6 8.280 -18.024 -0.562 43 HE1 HIS 6 HE1 HIS 6 11.531 -17.433 -3.187 44 H ARG 7 H ARG 7 5.168 -14.636 -2.561 45 HA ARG 7 HA ARG 7 2.583 -15.627 -3.578 46 1HB ARG 7 1HB ARG 7 1.469 -13.665 -2.483 47 2HB ARG 7 2HB ARG 7 2.093 -14.854 -1.339 48 1HG ARG 7 1HG ARG 7 3.739 -13.455 -0.566 49 2HG ARG 7 2HG ARG 7 3.957 -12.677 -2.134 50 1HD ARG 7 1HD ARG 7 1.359 -12.248 -0.737 51 2HD ARG 7 2HD ARG 7 2.772 -11.422 -0.090 52 HE ARG 7 HE ARG 7 1.369 -10.733 -2.471 53 1HH1 ARG 7 1HH1 ARG 7 4.598 -10.938 -1.134 54 2HH1 ARG 7 2HH1 ARG 7 5.227 -9.701 -2.167 55 1HH2 ARG 7 1HH2 ARG 7 2.230 -9.126 -3.799 56 2HH2 ARG 7 2HH2 ARG 7 3.899 -8.683 -3.664 57 HA PRO 8 HA PRO 8 4.545 -12.395 -6.314 58 1HB PRO 8 1HB PRO 8 5.123 -13.983 -8.459 59 2HB PRO 8 2HB PRO 8 6.237 -13.711 -7.111 60 1HG PRO 8 1HG PRO 8 4.655 -16.118 -7.778 61 2HG PRO 8 2HG PRO 8 6.151 -15.974 -6.844 62 1HD PRO 8 1HD PRO 8 3.512 -16.294 -5.809 63 2HD PRO 8 2HD PRO 8 4.993 -15.960 -4.880 64 H ASP 9 H ASP 9 2.187 -11.829 -6.241 65 HA ASP 9 HA ASP 9 1.023 -12.106 -8.888 66 1HB ASP 9 1HB ASP 9 -0.117 -13.455 -6.485 67 2HB ASP 9 2HB ASP 9 -1.237 -12.694 -7.615 68 H LYS 10 H LYS 10 -1.327 -11.013 -8.702 69 HA LYS 10 HA LYS 10 -0.821 -8.291 -8.014 70 1HB LYS 10 1HB LYS 10 -3.261 -9.790 -8.943 71 2HB LYS 10 2HB LYS 10 -3.356 -8.092 -8.474 72 1HG LYS 10 1HG LYS 10 -1.285 -9.062 -10.443 73 2HG LYS 10 2HG LYS 10 -2.907 -8.608 -10.966 74 1HD LYS 10 1HD LYS 10 -2.581 -6.378 -10.509 75 2HD LYS 10 2HD LYS 10 -1.482 -6.705 -9.168 76 1HE LYS 10 1HE LYS 10 -0.688 -7.322 -12.011 77 2HE LYS 10 2HE LYS 10 -0.472 -5.706 -11.335 78 1HZ LYS 10 1HZ LYS 10 0.492 -8.061 -9.855 79 2HZ LYS 10 2HZ LYS 10 1.418 -7.431 -11.129 80 3HZ LYS 10 3HZ LYS 10 1.040 -6.453 -9.792 81 H CYS 11 H CYS 11 -2.346 -10.976 -6.376 82 HA CYS 11 HA CYS 11 -3.916 -9.667 -4.478 83 1HB CYS 11 1HB CYS 11 -2.250 -12.150 -3.999 84 2HB CYS 11 2HB CYS 11 -3.687 -11.657 -3.107 85 H CYS 12 H CYS 12 -3.144 -10.106 -1.976 86 HA CYS 12 HA CYS 12 -0.619 -8.592 -1.673 87 1HB CYS 12 1HB CYS 12 -3.311 -8.150 -0.478 88 2HB CYS 12 2HB CYS 12 -1.911 -7.863 0.553 89 H LEU 13 H LEU 13 -2.912 -10.720 0.009 90 HA LEU 13 HA LEU 13 -2.571 -12.499 1.432 91 1HB LEU 13 1HB LEU 13 -0.507 -12.772 -0.249 92 2HB LEU 13 2HB LEU 13 0.387 -12.384 1.204 93 HG LEU 13 HG LEU 13 -1.147 -14.308 2.225 94 1HD1 LEU 13 1HD1 LEU 13 -1.231 -14.656 -0.752 95 2HD1 LEU 13 2HD1 LEU 13 -1.133 -16.089 0.271 96 3HD1 LEU 13 3HD1 LEU 13 -2.487 -14.972 0.444 97 1HD2 LEU 13 1HD2 LEU 13 1.327 -14.641 0.505 98 2HD2 LEU 13 2HD2 LEU 13 1.265 -14.399 2.250 99 3HD2 LEU 13 3HD2 LEU 13 0.696 -15.913 1.549 100 H GLY 14 H GLY 14 0.343 -10.497 1.835 101 1HA GLY 14 1HA GLY 14 1.334 -10.044 3.972 102 2HA GLY 14 2HA GLY 14 -0.236 -10.331 4.721 103 H TYR 15 H TYR 15 1.299 -8.041 5.253 104 HA TYR 15 HA TYR 15 0.258 -5.847 3.656 105 1HB TYR 15 1HB TYR 15 -0.644 -6.280 6.511 106 2HB TYR 15 2HB TYR 15 -0.824 -4.759 5.640 107 HD1 TYR 15 HD1 TYR 15 -1.909 -5.003 3.216 108 HD2 TYR 15 HD2 TYR 15 -2.405 -7.809 6.427 109 HE1 TYR 15 HE1 TYR 15 -3.979 -5.843 2.155 110 HE2 TYR 15 HE2 TYR 15 -4.479 -8.656 5.363 111 HH TYR 15 HH TYR 15 -5.280 -8.167 2.253 112 H GLN 16 H GLN 16 0.816 -3.698 4.901 113 HA GLN 16 HA GLN 16 3.603 -3.524 5.098 114 1HB GLN 16 1HB GLN 16 2.165 -1.567 4.653 115 2HB GLN 16 2HB GLN 16 1.528 -1.664 6.291 116 1HG GLN 16 1HG GLN 16 3.303 0.049 6.113 117 2HG GLN 16 2HG GLN 16 3.770 -1.251 7.205 118 2HE2 GLN 16 2HE2 GLN 16 5.288 -2.926 6.298 119 1HE2 GLN 16 1HE2 GLN 16 6.345 -2.486 5.046 120 H LYS 17 H LYS 17 1.147 -3.872 7.609 121 HA LYS 17 HA LYS 17 1.276 -4.524 9.806 122 1HB LYS 17 1HB LYS 17 2.794 -6.302 8.662 123 2HB LYS 17 2HB LYS 17 4.120 -5.394 9.388 124 1HG LYS 17 1HG LYS 17 2.538 -5.560 11.542 125 2HG LYS 17 2HG LYS 17 1.985 -7.010 10.704 126 1HD LYS 17 1HD LYS 17 4.933 -6.506 10.961 127 2HD LYS 17 2HD LYS 17 4.046 -7.150 12.343 128 1HE LYS 17 1HE LYS 17 3.066 -8.787 10.470 129 2HE LYS 17 2HE LYS 17 4.605 -8.409 9.695 130 1HZ LYS 17 1HZ LYS 17 5.607 -8.932 11.967 131 2HZ LYS 17 2HZ LYS 17 4.124 -9.685 12.313 132 3HZ LYS 17 3HZ LYS 17 5.073 -10.238 11.021 133 H ARG 18 H ARG 18 2.376 -1.855 8.819 134 HA ARG 18 HA ARG 18 3.136 -0.850 11.348 135 1HB ARG 18 1HB ARG 18 5.454 -0.151 10.828 136 2HB ARG 18 2HB ARG 18 5.292 -1.905 10.902 137 1HG ARG 18 1HG ARG 18 5.260 -2.080 8.499 138 2HG ARG 18 2HG ARG 18 5.147 -0.328 8.321 139 1HD ARG 18 1HD ARG 18 7.389 -0.438 9.784 140 2HD ARG 18 2HD ARG 18 7.502 -2.018 9.018 141 HE ARG 18 HE ARG 18 6.966 -0.329 6.936 142 1HH1 ARG 18 1HH1 ARG 18 9.377 -0.378 9.473 143 2HH1 ARG 18 2HH1 ARG 18 10.571 0.419 8.509 144 1HH2 ARG 18 1HH2 ARG 18 8.552 0.708 5.714 145 2HH2 ARG 18 2HH2 ARG 18 10.111 1.030 6.399 146 HA PRO 19 HA PRO 19 1.825 2.692 9.037 147 1HB PRO 19 1HB PRO 19 2.226 4.615 10.933 148 2HB PRO 19 2HB PRO 19 0.899 3.446 10.979 149 1HG PRO 19 1HG PRO 19 3.328 3.578 12.642 150 2HG PRO 19 2HG PRO 19 1.778 2.794 12.972 151 1HD PRO 19 1HD PRO 19 4.203 1.540 12.103 152 2HD PRO 19 2HD PRO 19 2.609 0.779 12.322 153 H LEU 20 H LEU 20 2.779 3.829 7.478 154 HA LEU 20 HA LEU 20 5.553 4.775 7.891 155 1HB LEU 20 1HB LEU 20 4.457 4.805 5.153 156 2HB LEU 20 2HB LEU 20 6.038 4.327 5.725 157 HG LEU 20 HG LEU 20 3.519 2.653 5.687 158 1HD1 LEU 20 1HD1 LEU 20 5.271 3.122 3.675 159 2HD1 LEU 20 2HD1 LEU 20 6.091 1.782 4.479 160 3HD1 LEU 20 3HD1 LEU 20 4.442 1.580 3.886 161 1HD2 LEU 20 1HD2 LEU 20 6.112 2.350 7.145 162 2HD2 LEU 20 2HD2 LEU 20 4.492 1.841 7.621 163 3HD2 LEU 20 3HD2 LEU 20 5.396 0.906 6.431 164 HA PRO 21 HA PRO 21 4.062 8.916 7.428 165 1HB PRO 21 1HB PRO 21 6.269 10.173 6.412 166 2HB PRO 21 2HB PRO 21 6.141 9.612 8.088 167 1HG PRO 21 1HG PRO 21 7.712 8.484 5.852 168 2HG PRO 21 2HG PRO 21 7.981 8.357 7.596 169 1HD PRO 21 1HD PRO 21 6.840 6.372 5.897 170 2HD PRO 21 2HD PRO 21 6.927 6.334 7.674 171 H GLN 22 H GLN 22 2.913 10.109 5.977 172 HA GLN 22 HA GLN 22 2.744 9.254 3.244 173 1HB GLN 22 1HB GLN 22 0.873 10.246 4.701 174 2HB GLN 22 2HB GLN 22 1.588 11.814 4.333 175 1HG GLN 22 1HG GLN 22 1.176 10.022 2.005 176 2HG GLN 22 2HG GLN 22 -0.294 10.623 2.772 177 2HE2 GLN 22 2HE2 GLN 22 1.697 11.369 0.283 178 1HE2 GLN 22 1HE2 GLN 22 1.584 13.063 0.301 179 H VAL 23 H VAL 23 4.922 11.300 4.817 180 HA VAL 23 HA VAL 23 5.267 13.448 3.109 181 HB VAL 23 HB VAL 23 6.410 13.192 5.283 182 1HG1 VAL 23 1HG1 VAL 23 6.987 10.700 4.660 183 2HG1 VAL 23 2HG1 VAL 23 8.444 11.416 3.975 184 3HG1 VAL 23 3HG1 VAL 23 8.080 11.623 5.688 185 1HG2 VAL 23 1HG2 VAL 23 7.290 14.772 3.581 186 2HG2 VAL 23 2HG2 VAL 23 8.568 14.118 4.606 187 3HG2 VAL 23 3HG2 VAL 23 8.344 13.496 2.971 188 H LEU 24 H LEU 24 6.529 10.172 2.824 189 HA LEU 24 HA LEU 24 7.821 10.860 0.285 190 1HB LEU 24 1HB LEU 24 9.221 9.136 0.646 191 2HB LEU 24 2HB LEU 24 8.676 9.272 2.297 192 HG LEU 24 HG LEU 24 7.569 7.318 0.258 193 1HD1 LEU 24 1HD1 LEU 24 9.998 7.050 1.111 194 2HD1 LEU 24 2HD1 LEU 24 9.255 6.646 2.659 195 3HD1 LEU 24 3HD1 LEU 24 8.917 5.661 1.236 196 1HD2 LEU 24 1HD2 LEU 24 6.619 8.217 2.838 197 2HD2 LEU 24 2HD2 LEU 24 5.882 7.059 1.735 198 3HD2 LEU 24 3HD2 LEU 24 7.054 6.513 2.931 199 H LEU 25 H LEU 25 5.139 9.076 1.611 200 HA LEU 25 HA LEU 25 4.477 7.434 -0.529 201 1HB LEU 25 1HB LEU 25 3.394 7.839 1.878 202 2HB LEU 25 2HB LEU 25 2.247 8.739 0.913 203 HG LEU 25 HG LEU 25 1.692 6.759 -0.370 204 1HD1 LEU 25 1HD1 LEU 25 4.126 5.705 0.995 205 2HD1 LEU 25 2HD1 LEU 25 2.810 4.567 0.705 206 3HD1 LEU 25 3HD1 LEU 25 3.549 5.424 -0.648 207 1HD2 LEU 25 1HD2 LEU 25 1.615 6.731 2.604 208 2HD2 LEU 25 2HD2 LEU 25 0.289 6.672 1.444 209 3HD2 LEU 25 3HD2 LEU 25 1.215 5.215 1.797 210 H SER 26 H SER 26 3.046 7.587 -2.236 211 HA SER 26 HA SER 26 2.579 10.348 -3.200 212 1HB SER 26 1HB SER 26 4.146 8.567 -4.440 213 2HB SER 26 2HB SER 26 2.597 8.077 -5.119 214 HG SER 26 HG SER 26 3.079 9.688 -6.426 215 H SER 27 H SER 27 1.319 7.082 -3.951 216 HA SER 27 HA SER 27 -1.402 8.005 -3.358 217 1HB SER 27 1HB SER 27 -2.285 7.489 -5.511 218 2HB SER 27 2HB SER 27 -0.871 8.498 -5.799 219 HG SER 27 HG SER 27 -1.340 5.874 -6.441 220 H TRP 28 H TRP 28 -2.800 5.894 -4.430 221 HA TRP 28 HA TRP 28 -1.574 3.388 -3.592 222 1HB TRP 28 1HB TRP 28 -3.475 2.896 -2.010 223 2HB TRP 28 2HB TRP 28 -2.354 4.129 -1.439 224 HD1 TRP 28 HD1 TRP 28 -3.170 6.661 -1.463 225 HE1 TRP 28 HE1 TRP 28 -5.524 7.710 -1.506 226 HE3 TRP 28 HE3 TRP 28 -5.927 2.593 -2.885 227 HZ2 TRP 28 HZ2 TRP 28 -8.217 6.924 -2.079 228 HZ3 TRP 28 HZ3 TRP 28 -8.378 2.778 -3.171 229 HH2 TRP 28 HH2 TRP 28 -9.526 4.936 -2.767 230 H TYR 29 H TYR 29 -2.478 1.656 -4.600 231 HA TYR 29 HA TYR 29 -4.982 2.146 -6.090 232 1HB TYR 29 1HB TYR 29 -4.155 0.881 -7.979 233 2HB TYR 29 2HB TYR 29 -3.026 2.181 -7.623 234 HD1 TYR 29 HD1 TYR 29 -0.989 1.573 -6.080 235 HD2 TYR 29 HD2 TYR 29 -3.401 -1.323 -8.143 236 HE1 TYR 29 HE1 TYR 29 0.842 -0.084 -5.900 237 HE2 TYR 29 HE2 TYR 29 -1.568 -2.981 -7.956 238 HH TYR 29 HH TYR 29 1.081 -2.768 -7.698 239 HA PRO 30 HA PRO 30 -6.211 -1.575 -4.016 240 1HB PRO 30 1HB PRO 30 -8.554 -2.031 -5.342 241 2HB PRO 30 2HB PRO 30 -8.346 -0.770 -4.118 242 1HG PRO 30 1HG PRO 30 -8.576 -0.514 -7.056 243 2HG PRO 30 2HG PRO 30 -8.958 0.659 -5.787 244 1HD PRO 30 1HD PRO 30 -6.627 0.618 -7.417 245 2HD PRO 30 2HD PRO 30 -6.915 1.651 -5.998 246 H THR 31 H THR 31 -6.114 -3.779 -4.235 247 HA THR 31 HA THR 31 -5.231 -4.797 -6.845 248 HB THR 31 HB THR 31 -3.780 -5.356 -4.991 249 HG1 THR 31 HG1 THR 31 -3.707 -7.104 -6.161 250 1HG2 THR 31 1HG2 THR 31 -6.372 -6.000 -3.687 251 2HG2 THR 31 2HG2 THR 31 -4.999 -7.026 -3.273 252 3HG2 THR 31 3HG2 THR 31 -4.913 -5.286 -3.001 253 H SER 32 H SER 32 -5.918 -7.256 -7.080 254 HA SER 32 HA SER 32 -8.642 -7.292 -7.753 255 1HB SER 32 1HB SER 32 -6.493 -9.340 -7.546 256 2HB SER 32 2HB SER 32 -8.157 -9.917 -7.603 257 HG SER 32 HG SER 32 -6.673 -8.473 -9.497 258 H GLN 33 H GLN 33 -10.452 -8.131 -6.795 259 HA GLN 33 HA GLN 33 -10.378 -8.327 -3.889 260 1HB GLN 33 1HB GLN 33 -12.166 -7.065 -5.179 261 2HB GLN 33 2HB GLN 33 -12.791 -8.637 -5.679 262 1HG GLN 33 1HG GLN 33 -13.411 -9.233 -3.506 263 2HG GLN 33 2HG GLN 33 -12.278 -8.100 -2.767 264 2HE2 GLN 33 2HE2 GLN 33 -12.812 -5.665 -3.488 265 1HE2 GLN 33 1HE2 GLN 33 -14.456 -5.249 -3.405 266 H LEU 34 H LEU 34 -10.715 -10.419 -6.668 267 HA LEU 34 HA LEU 34 -11.943 -12.657 -5.555 268 1HB LEU 34 1HB LEU 34 -9.831 -12.357 -7.670 269 2HB LEU 34 2HB LEU 34 -10.464 -13.924 -7.223 270 HG LEU 34 HG LEU 34 -12.556 -13.488 -8.179 271 1HD1 LEU 34 1HD1 LEU 34 -12.869 -11.268 -7.024 272 2HD1 LEU 34 2HD1 LEU 34 -11.895 -10.528 -8.294 273 3HD1 LEU 34 3HD1 LEU 34 -13.437 -11.286 -8.693 274 1HD2 LEU 34 1HD2 LEU 34 -10.709 -13.600 -9.852 275 2HD2 LEU 34 2HD2 LEU 34 -12.079 -12.643 -10.417 276 3HD2 LEU 34 3HD2 LEU 34 -10.623 -11.839 -9.831 277 H CYS 35 H CYS 35 -8.728 -11.407 -5.056 278 HA CYS 35 HA CYS 35 -7.400 -13.718 -4.171 279 1HB CYS 35 1HB CYS 35 -7.042 -10.871 -3.201 280 2HB CYS 35 2HB CYS 35 -5.886 -12.188 -2.991 281 H SER 36 H SER 36 -7.137 -14.659 -2.164 282 HA SER 36 HA SER 36 -9.365 -14.728 -0.445 283 1HB SER 36 1HB SER 36 -7.642 -16.538 -0.655 284 2HB SER 36 2HB SER 36 -6.530 -15.521 0.257 285 HG SER 36 HG SER 36 -7.474 -16.581 1.851 286 H LYS 37 H LYS 37 -6.320 -12.964 -0.275 287 HA LYS 37 HA LYS 37 -7.425 -11.414 1.992 288 1HB LYS 37 1HB LYS 37 -5.476 -12.909 2.605 289 2HB LYS 37 2HB LYS 37 -4.485 -11.944 1.513 290 1HG LYS 37 1HG LYS 37 -4.121 -10.588 3.288 291 2HG LYS 37 2HG LYS 37 -5.767 -10.012 3.032 292 1HD LYS 37 1HD LYS 37 -5.989 -10.672 5.222 293 2HD LYS 37 2HD LYS 37 -6.316 -12.229 4.458 294 1HE LYS 37 1HE LYS 37 -3.723 -12.542 4.567 295 2HE LYS 37 2HE LYS 37 -3.792 -11.272 5.789 296 1HZ LYS 37 1HZ LYS 37 -5.507 -12.627 6.936 297 2HZ LYS 37 2HZ LYS 37 -5.205 -13.880 5.830 298 3HZ LYS 37 3HZ LYS 37 -3.977 -13.358 6.883 299 HA PRO 38 HA PRO 38 -6.411 -8.551 -1.496 300 1HB PRO 38 1HB PRO 38 -8.862 -7.361 -1.673 301 2HB PRO 38 2HB PRO 38 -8.424 -8.840 -2.540 302 1HG PRO 38 1HG PRO 38 -10.194 -8.495 -0.199 303 2HG PRO 38 2HG PRO 38 -10.175 -9.777 -1.418 304 1HD PRO 38 1HD PRO 38 -9.108 -9.915 1.223 305 2HD PRO 38 2HD PRO 38 -8.918 -11.123 -0.071 306 H GLY 39 H GLY 39 -6.726 -6.098 -1.585 307 1HA GLY 39 1HA GLY 39 -5.806 -4.922 0.823 308 2HA GLY 39 2HA GLY 39 -7.511 -4.535 0.595 309 H VAL 40 H VAL 40 -4.649 -3.190 0.258 310 HA VAL 40 HA VAL 40 -4.895 -2.183 -2.468 311 HB VAL 40 HB VAL 40 -5.060 -0.269 -0.123 312 1HG1 VAL 40 1HG1 VAL 40 -4.048 0.224 -2.579 313 2HG1 VAL 40 2HG1 VAL 40 -5.755 0.512 -2.900 314 3HG1 VAL 40 3HG1 VAL 40 -4.926 1.426 -1.641 315 1HG2 VAL 40 1HG2 VAL 40 -7.181 -1.220 -2.068 316 2HG2 VAL 40 2HG2 VAL 40 -7.165 -1.475 -0.324 317 3HG2 VAL 40 3HG2 VAL 40 -7.374 0.151 -0.975 318 H ILE 41 H ILE 41 -3.008 -1.453 -3.278 319 HA ILE 41 HA ILE 41 -0.649 -1.687 -1.540 320 HB ILE 41 HB ILE 41 -1.005 -1.749 -4.545 321 1HG1 ILE 41 1HG1 ILE 41 0.173 -3.993 -4.120 322 2HG1 ILE 41 2HG1 ILE 41 -0.173 -3.713 -2.413 323 1HG2 ILE 41 1HG2 ILE 41 1.074 -0.496 -3.987 324 2HG2 ILE 41 2HG2 ILE 41 1.599 -1.848 -2.982 325 3HG2 ILE 41 3HG2 ILE 41 1.428 -2.058 -4.724 326 1HD1 ILE 41 1HD1 ILE 41 -2.421 -3.385 -4.352 327 2HD1 ILE 41 2HD1 ILE 41 -1.891 -5.026 -3.981 328 3HD1 ILE 41 3HD1 ILE 41 -2.450 -3.967 -2.686 329 H PHE 42 H PHE 42 0.638 0.017 -1.096 330 HA PHE 42 HA PHE 42 -0.274 2.661 -2.009 331 1HB PHE 42 1HB PHE 42 1.334 1.680 0.327 332 2HB PHE 42 2HB PHE 42 1.526 3.346 -0.216 333 HD1 PHE 42 HD1 PHE 42 -0.854 0.863 1.140 334 HD2 PHE 42 HD2 PHE 42 -0.246 4.969 0.034 335 HE1 PHE 42 HE1 PHE 42 -2.950 1.489 2.309 336 HE2 PHE 42 HE2 PHE 42 -2.341 5.595 1.202 337 HZ PHE 42 HZ PHE 42 -3.693 3.856 2.342 338 H LEU 43 H LEU 43 0.765 3.607 -3.634 339 HA LEU 43 HA LEU 43 3.458 2.676 -4.356 340 1HB LEU 43 1HB LEU 43 1.555 4.501 -5.825 341 2HB LEU 43 2HB LEU 43 3.106 3.957 -6.426 342 HG LEU 43 HG LEU 43 1.071 1.898 -5.672 343 1HD1 LEU 43 1HD1 LEU 43 0.969 3.760 -8.041 344 2HD1 LEU 43 2HD1 LEU 43 0.347 2.114 -8.165 345 3HD1 LEU 43 3HD1 LEU 43 -0.348 3.232 -6.993 346 1HD2 LEU 43 1HD2 LEU 43 3.568 1.668 -6.578 347 2HD2 LEU 43 2HD2 LEU 43 2.305 0.554 -7.102 348 3HD2 LEU 43 3HD2 LEU 43 2.773 1.904 -8.135 349 H THR 44 H THR 44 4.909 3.707 -3.050 350 HA THR 44 HA THR 44 4.628 6.383 -2.156 351 HB THR 44 HB THR 44 6.958 6.203 -1.460 352 HG1 THR 44 HG1 THR 44 6.904 3.889 -3.094 353 1HG2 THR 44 1HG2 THR 44 5.016 4.011 -1.000 354 2HG2 THR 44 2HG2 THR 44 6.679 3.680 -0.516 355 3HG2 THR 44 3HG2 THR 44 5.824 5.065 0.161 356 H LYS 45 H LYS 45 6.204 8.134 -2.701 357 HA LYS 45 HA LYS 45 5.980 8.886 -5.394 358 1HB LYS 45 1HB LYS 45 7.790 9.858 -3.184 359 2HB LYS 45 2HB LYS 45 7.787 10.584 -4.791 360 1HG LYS 45 1HG LYS 45 5.655 11.452 -4.549 361 2HG LYS 45 2HG LYS 45 5.160 10.198 -3.413 362 1HD LYS 45 1HD LYS 45 5.426 11.894 -1.894 363 2HD LYS 45 2HD LYS 45 7.107 11.365 -1.954 364 1HE LYS 45 1HE LYS 45 7.304 13.671 -2.317 365 2HE LYS 45 2HE LYS 45 7.292 13.034 -3.961 366 1HZ LYS 45 1HZ LYS 45 4.776 13.355 -3.806 367 2HZ LYS 45 2HZ LYS 45 5.113 14.361 -2.480 368 3HZ LYS 45 3HZ LYS 45 5.740 14.735 -4.014 369 H ARG 46 H ARG 46 8.919 7.885 -3.635 370 HA ARG 46 HA ARG 46 9.990 6.853 -6.193 371 1HB ARG 46 1HB ARG 46 11.032 9.038 -5.489 372 2HB ARG 46 2HB ARG 46 11.641 8.201 -4.060 373 1HG ARG 46 1HG ARG 46 13.102 6.873 -5.289 374 2HG ARG 46 2HG ARG 46 12.141 7.003 -6.763 375 1HD ARG 46 1HD ARG 46 13.866 8.436 -7.307 376 2HD ARG 46 2HD ARG 46 12.770 9.574 -6.530 377 HE ARG 46 HE ARG 46 14.402 8.545 -4.518 378 1HH1 ARG 46 1HH1 ARG 46 14.784 10.390 -7.469 379 2HH1 ARG 46 2HH1 ARG 46 16.191 11.222 -6.900 380 1HH2 ARG 46 1HH2 ARG 46 16.237 9.652 -3.816 381 2HH2 ARG 46 2HH2 ARG 46 17.007 10.809 -4.851 382 H GLY 47 H GLY 47 8.991 5.973 -3.165 383 1HA GLY 47 1HA GLY 47 9.567 4.304 -1.672 384 2HA GLY 47 2HA GLY 47 11.153 4.222 -2.430 385 H ARG 48 H ARG 48 8.208 2.676 -2.017 386 HA ARG 48 HA ARG 48 8.280 1.155 -4.503 387 1HB ARG 48 1HB ARG 48 9.403 0.153 -1.958 388 2HB ARG 48 2HB ARG 48 8.299 -0.953 -2.772 389 1HG ARG 48 1HG ARG 48 9.605 -0.849 -4.813 390 2HG ARG 48 2HG ARG 48 10.640 0.409 -4.134 391 1HD ARG 48 1HD ARG 48 11.691 -1.070 -2.660 392 2HD ARG 48 2HD ARG 48 10.364 -2.224 -2.714 393 HE ARG 48 HE ARG 48 12.630 -2.193 -4.436 394 1HH1 ARG 48 1HH1 ARG 48 9.176 -2.765 -4.439 395 2HH1 ARG 48 2HH1 ARG 48 9.243 -3.852 -5.783 396 1HH2 ARG 48 1HH2 ARG 48 12.672 -3.615 -6.187 397 2HH2 ARG 48 2HH2 ARG 48 11.204 -4.330 -6.765 398 H GLN 49 H GLN 49 6.731 -0.932 -3.962 399 HA GLN 49 HA GLN 49 4.171 0.293 -3.297 400 1HB GLN 49 1HB GLN 49 5.050 -2.235 -4.632 401 2HB GLN 49 2HB GLN 49 3.445 -2.178 -3.905 402 1HG GLN 49 1HG GLN 49 2.715 -0.471 -5.331 403 2HG GLN 49 2HG GLN 49 4.357 0.057 -5.698 404 2HE2 GLN 49 2HE2 GLN 49 3.033 -3.281 -5.796 405 1HE2 GLN 49 1HE2 GLN 49 3.347 -3.517 -7.448 406 H VAL 50 H VAL 50 2.716 -0.609 -1.740 407 HA VAL 50 HA VAL 50 3.832 -2.530 0.176 408 HB VAL 50 HB VAL 50 2.775 0.162 1.066 409 1HG1 VAL 50 1HG1 VAL 50 2.546 -1.989 2.523 410 2HG1 VAL 50 2HG1 VAL 50 4.292 -1.846 2.722 411 3HG1 VAL 50 3HG1 VAL 50 3.233 -0.544 3.261 412 1HG2 VAL 50 1HG2 VAL 50 5.596 -0.926 0.884 413 2HG2 VAL 50 2HG2 VAL 50 4.947 0.484 0.046 414 3HG2 VAL 50 3HG2 VAL 50 5.156 0.518 1.797 415 H CYS 51 H CYS 51 2.331 -4.006 0.527 416 HA CYS 51 HA CYS 51 -0.439 -3.591 -0.143 417 1HB CYS 51 1HB CYS 51 1.196 -5.843 0.948 418 2HB CYS 51 2HB CYS 51 -0.548 -5.887 1.197 419 H ALA 52 H ALA 52 -2.027 -2.861 1.169 420 HA ALA 52 HA ALA 52 -1.838 -3.208 4.050 421 1HB ALA 52 1HB ALA 52 -0.515 -1.127 3.570 422 2HB ALA 52 2HB ALA 52 -1.994 -0.406 2.933 423 3HB ALA 52 3HB ALA 52 -1.903 -0.880 4.630 424 H ASP 53 H ASP 53 -3.791 -3.472 4.900 425 HA ASP 53 HA ASP 53 -6.127 -3.325 3.235 426 1HB ASP 53 1HB ASP 53 -5.504 -4.199 6.002 427 2HB ASP 53 2HB ASP 53 -7.153 -3.644 5.725 428 H LYS 54 H LYS 54 -8.142 -2.307 4.619 429 HA LYS 54 HA LYS 54 -7.400 0.536 4.944 430 1HB LYS 54 1HB LYS 54 -10.092 -0.672 4.251 431 2HB LYS 54 2HB LYS 54 -9.737 1.050 4.384 432 1HG LYS 54 1HG LYS 54 -9.398 0.843 2.126 433 2HG LYS 54 2HG LYS 54 -7.792 0.338 2.655 434 1HD LYS 54 1HD LYS 54 -8.558 -1.327 1.103 435 2HD LYS 54 2HD LYS 54 -8.680 -2.041 2.712 436 1HE LYS 54 1HE LYS 54 -11.124 -0.922 2.557 437 2HE LYS 54 2HE LYS 54 -10.838 -1.204 0.840 438 1HZ LYS 54 1HZ LYS 54 -10.222 -3.525 1.462 439 2HZ LYS 54 2HZ LYS 54 -10.781 -3.202 3.030 440 3HZ LYS 54 3HZ LYS 54 -11.856 -3.136 1.716 441 H SER 55 H SER 55 -8.855 -2.220 6.494 442 HA SER 55 HA SER 55 -10.389 -1.039 8.493 443 1HB SER 55 1HB SER 55 -8.709 -3.341 9.296 444 2HB SER 55 2HB SER 55 -10.442 -3.095 9.474 445 HG SER 55 HG SER 55 -9.310 -4.584 7.714 446 H LYS 56 H LYS 56 -6.931 -1.120 8.120 447 HA LYS 56 HA LYS 56 -6.110 -0.707 10.775 448 1HB LYS 56 1HB LYS 56 -4.838 0.456 8.286 449 2HB LYS 56 2HB LYS 56 -4.056 0.182 9.844 450 1HG LYS 56 1HG LYS 56 -4.869 -2.300 9.475 451 2HG LYS 56 2HG LYS 56 -4.914 -1.817 7.779 452 1HD LYS 56 1HD LYS 56 -2.588 -1.250 7.783 453 2HD LYS 56 2HD LYS 56 -2.497 -1.364 9.541 454 1HE LYS 56 1HE LYS 56 -3.329 -3.753 7.910 455 2HE LYS 56 2HE LYS 56 -1.620 -3.367 8.116 456 1HZ LYS 56 1HZ LYS 56 -2.163 -3.242 10.577 457 2HZ LYS 56 2HZ LYS 56 -3.616 -4.034 10.192 458 3HZ LYS 56 3HZ LYS 56 -2.132 -4.788 9.873 459 H ASP 57 H ASP 57 -4.785 1.585 11.065 460 HA ASP 57 HA ASP 57 -6.920 3.628 10.978 461 1HB ASP 57 1HB ASP 57 -5.822 2.726 13.211 462 2HB ASP 57 2HB ASP 57 -4.559 3.883 12.791 463 H TRP 58 H TRP 58 -3.384 3.240 10.784 464 HA TRP 58 HA TRP 58 -2.919 5.886 9.853 465 1HB TRP 58 1HB TRP 58 -0.661 5.095 9.270 466 2HB TRP 58 2HB TRP 58 -1.124 4.622 10.900 467 HD1 TRP 58 HD1 TRP 58 -1.719 2.037 11.314 468 HE1 TRP 58 HE1 TRP 58 -0.985 -0.085 10.050 469 HE3 TRP 58 HE3 TRP 58 -0.110 4.126 6.948 470 HZ2 TRP 58 HZ2 TRP 58 0.143 -0.805 7.504 471 HZ3 TRP 58 HZ3 TRP 58 0.791 2.709 5.129 472 HH2 TRP 58 HH2 TRP 58 0.918 0.254 5.401 473 H VAL 59 H VAL 59 -3.784 2.912 8.256 474 HA VAL 59 HA VAL 59 -3.046 3.789 5.616 475 HB VAL 59 HB VAL 59 -4.982 1.605 6.425 476 1HG1 VAL 59 1HG1 VAL 59 -3.812 2.556 3.857 477 2HG1 VAL 59 2HG1 VAL 59 -3.884 0.810 4.091 478 3HG1 VAL 59 3HG1 VAL 59 -5.361 1.771 4.163 479 1HG2 VAL 59 1HG2 VAL 59 -2.734 1.298 7.411 480 2HG2 VAL 59 2HG2 VAL 59 -3.038 0.109 6.144 481 3HG2 VAL 59 3HG2 VAL 59 -2.010 1.504 5.816 482 H LYS 60 H LYS 60 -5.904 3.924 7.639 483 HA LYS 60 HA LYS 60 -7.775 4.677 5.653 484 1HB LYS 60 1HB LYS 60 -8.214 3.947 8.089 485 2HB LYS 60 2HB LYS 60 -7.896 5.630 8.508 486 1HG LYS 60 1HG LYS 60 -9.814 6.390 7.501 487 2HG LYS 60 2HG LYS 60 -9.771 5.150 6.247 488 1HD LYS 60 1HD LYS 60 -10.283 3.492 8.188 489 2HD LYS 60 2HD LYS 60 -10.788 4.933 9.073 490 1HE LYS 60 1HE LYS 60 -12.332 5.503 7.203 491 2HE LYS 60 2HE LYS 60 -11.874 4.002 6.398 492 1HZ LYS 60 1HZ LYS 60 -12.879 3.991 9.173 493 2HZ LYS 60 2HZ LYS 60 -13.957 4.010 7.860 494 3HZ LYS 60 3HZ LYS 60 -12.864 2.725 8.039 495 H LYS 61 H LYS 61 -5.671 6.568 7.793 496 HA LYS 61 HA LYS 61 -6.598 9.125 7.035 497 1HB LYS 61 1HB LYS 61 -4.961 8.387 8.959 498 2HB LYS 61 2HB LYS 61 -3.720 8.680 7.740 499 1HG LYS 61 1HG LYS 61 -4.138 10.948 7.655 500 2HG LYS 61 2HG LYS 61 -5.836 10.758 8.092 501 1HD LYS 61 1HD LYS 61 -5.174 10.192 10.407 502 2HD LYS 61 2HD LYS 61 -3.479 10.411 9.969 503 1HE LYS 61 1HE LYS 61 -5.524 12.597 9.564 504 2HE LYS 61 2HE LYS 61 -4.646 12.412 11.083 505 1HZ LYS 61 1HZ LYS 61 -3.184 12.480 8.528 506 2HZ LYS 61 2HZ LYS 61 -3.688 13.929 9.253 507 3HZ LYS 61 3HZ LYS 61 -2.640 12.882 10.086 508 H LEU 62 H LEU 62 -3.992 7.083 5.761 509 HA LEU 62 HA LEU 62 -2.971 8.913 3.872 510 1HB LEU 62 1HB LEU 62 -3.080 5.905 3.761 511 2HB LEU 62 2HB LEU 62 -2.132 6.908 2.687 512 HG LEU 62 HG LEU 62 -1.692 7.168 5.633 513 1HD1 LEU 62 1HD1 LEU 62 -1.158 4.770 3.955 514 2HD1 LEU 62 2HD1 LEU 62 0.151 5.304 5.010 515 3HD1 LEU 62 3HD1 LEU 62 -1.420 4.896 5.694 516 1HD2 LEU 62 1HD2 LEU 62 -0.271 7.685 3.069 517 2HD2 LEU 62 2HD2 LEU 62 -0.261 8.614 4.567 518 3HD2 LEU 62 3HD2 LEU 62 0.729 7.163 4.424 519 H MET 63 H MET 63 -5.490 6.450 3.651 520 HA MET 63 HA MET 63 -6.095 6.579 0.939 521 1HB MET 63 1HB MET 63 -7.818 6.057 3.352 522 2HB MET 63 2HB MET 63 -8.485 6.031 1.720 523 1HG MET 63 1HG MET 63 -6.310 4.489 1.319 524 2HG MET 63 2HG MET 63 -6.586 4.144 3.024 525 1HE MET 63 1HE MET 63 -7.093 3.662 -0.321 526 2HE MET 63 2HE MET 63 -7.253 1.959 0.100 527 3HE MET 63 3HE MET 63 -8.602 2.803 -0.656 528 H GLN 64 H GLN 64 -7.099 8.700 3.565 529 HA GLN 64 HA GLN 64 -8.812 10.286 1.827 530 1HB GLN 64 1HB GLN 64 -9.120 9.828 4.381 531 2HB GLN 64 2HB GLN 64 -7.956 11.140 4.574 532 1HG GLN 64 1HG GLN 64 -9.377 12.640 3.265 533 2HG GLN 64 2HG GLN 64 -10.522 11.331 2.970 534 2HE2 GLN 64 2HE2 GLN 64 -12.049 10.850 4.614 535 1HE2 GLN 64 1HE2 GLN 64 -12.115 11.675 6.096 536 H GLN 65 H GLN 65 -5.592 10.414 3.203 537 HA GLN 65 HA GLN 65 -5.072 13.154 2.595 538 1HB GLN 65 1HB GLN 65 -3.426 10.793 3.393 539 2HB GLN 65 2HB GLN 65 -2.607 12.199 2.713 540 1HG GLN 65 1HG GLN 65 -4.652 12.835 4.752 541 2HG GLN 65 2HG GLN 65 -3.266 11.931 5.357 542 2HE2 GLN 65 2HE2 GLN 65 -3.937 14.770 3.228 543 1HE2 GLN 65 1HE2 GLN 65 -2.601 15.668 3.767 544 H LEU 66 H LEU 66 -4.510 10.099 0.915 545 HA LEU 66 HA LEU 66 -3.418 11.557 -1.400 546 1HB LEU 66 1HB LEU 66 -3.622 8.575 -1.100 547 2HB LEU 66 2HB LEU 66 -2.599 9.485 -2.189 548 HG LEU 66 HG LEU 66 -2.282 9.447 0.821 549 1HD1 LEU 66 1HD1 LEU 66 -1.106 7.787 -1.392 550 2HD1 LEU 66 2HD1 LEU 66 -0.145 8.135 0.044 551 3HD1 LEU 66 3HD1 LEU 66 -1.677 7.276 0.196 552 1HD2 LEU 66 1HD2 LEU 66 -0.861 10.758 -1.473 553 2HD2 LEU 66 2HD2 LEU 66 -1.230 11.403 0.127 554 3HD2 LEU 66 3HD2 LEU 66 0.083 10.243 -0.075 555 HA PRO 67 HA PRO 67 -7.244 10.974 -3.525 556 1HB PRO 67 1HB PRO 67 -6.390 11.200 -6.117 557 2HB PRO 67 2HB PRO 67 -6.555 12.568 -5.008 558 1HG PRO 67 1HG PRO 67 -4.102 11.224 -5.978 559 2HG PRO 67 2HG PRO 67 -4.328 12.882 -5.405 560 1HD PRO 67 1HD PRO 67 -3.198 10.735 -3.933 561 2HD PRO 67 2HD PRO 67 -3.675 12.324 -3.290 562 H VAL 68 H VAL 68 -5.070 9.498 -5.909 563 HA VAL 68 HA VAL 68 -5.286 6.817 -5.362 564 HB VAL 68 HB VAL 68 -7.832 7.904 -6.395 565 1HG1 VAL 68 1HG1 VAL 68 -7.006 6.925 -8.522 566 2HG1 VAL 68 2HG1 VAL 68 -6.740 5.389 -7.697 567 3HG1 VAL 68 3HG1 VAL 68 -8.376 6.024 -7.874 568 1HG2 VAL 68 1HG2 VAL 68 -6.823 5.796 -4.648 569 2HG2 VAL 68 2HG2 VAL 68 -8.381 6.618 -4.629 570 3HG2 VAL 68 3HG2 VAL 68 -8.139 5.220 -5.671 571 H THR 69 H THR 69 -4.783 5.457 -7.289 572 HA THR 69 HA THR 69 -2.742 6.638 -8.838 573 HB THR 69 HB THR 69 -3.259 4.427 -10.270 574 HG1 THR 69 HG1 THR 69 -4.817 3.365 -9.384 575 1HG2 THR 69 1HG2 THR 69 -1.283 5.040 -8.762 576 2HG2 THR 69 2HG2 THR 69 -2.150 4.211 -7.470 577 3HG2 THR 69 3HG2 THR 69 -1.653 3.322 -8.909 578 H ALA 70 H ALA 70 -2.635 7.089 -11.064 579 HA ALA 70 HA ALA 70 -4.972 8.359 -12.131 580 1HB ALA 70 1HB ALA 70 -3.594 9.112 -13.871 581 2HB ALA 70 2HB ALA 70 -2.525 7.714 -13.759 582 3HB ALA 70 3HB ALA 70 -2.475 8.965 -12.516 583 H ARG 71 H ARG 71 -5.094 7.860 -14.748 584 HA ARG 71 HA ARG 71 -5.865 5.005 -14.885 585 1HB ARG 71 1HB ARG 71 -7.030 7.392 -16.340 586 2HB ARG 71 2HB ARG 71 -7.509 5.715 -16.606 587 1HG ARG 71 1HG ARG 71 -8.618 5.566 -14.598 588 2HG ARG 71 2HG ARG 71 -7.527 6.693 -13.792 589 1HD ARG 71 1HD ARG 71 -9.416 8.017 -13.972 590 2HD ARG 71 2HD ARG 71 -8.598 8.430 -15.475 591 HE ARG 71 HE ARG 71 -10.182 6.304 -16.157 592 1HH1 ARG 71 1HH1 ARG 71 -10.763 9.386 -14.603 593 2HH1 ARG 71 2HH1 ARG 71 -12.381 9.510 -15.202 594 1HH2 ARG 71 1HH2 ARG 71 -12.296 6.506 -16.915 595 2HH2 ARG 71 2HH2 ARG 71 -13.243 7.895 -16.500 No H/Q in entry = 595 Start of MODEL 17 1 H1 LEU 1 H1 LEU 1 11.735 -15.020 -7.787 2 H2 LEU 1 H2 LEU 1 11.074 -14.057 -6.553 3 H3 LEU 1 H3 LEU 1 10.740 -15.718 -6.600 4 HA LEU 1 HA LEU 1 8.839 -14.495 -7.397 5 1HB LEU 1 1HB LEU 1 10.551 -12.643 -8.263 6 2HB LEU 1 2HB LEU 1 10.423 -13.559 -9.763 7 HG LEU 1 HG LEU 1 8.768 -11.745 -9.726 8 1HD1 LEU 1 1HD1 LEU 1 8.287 -14.232 -10.543 9 2HD1 LEU 1 2HD1 LEU 1 7.095 -14.178 -9.245 10 3HD1 LEU 1 3HD1 LEU 1 7.020 -13.006 -10.560 11 1HD2 LEU 1 1HD2 LEU 1 8.634 -11.903 -7.118 12 2HD2 LEU 1 2HD2 LEU 1 7.187 -11.449 -8.017 13 3HD2 LEU 1 3HD2 LEU 1 7.375 -13.098 -7.425 14 H GLY 2 H GLY 2 8.192 -16.607 -7.711 15 1HA GLY 2 1HA GLY 2 8.111 -18.712 -8.769 16 2HA GLY 2 2HA GLY 2 9.225 -18.115 -9.996 17 H ALA 3 H ALA 3 6.484 -19.460 -10.041 18 HA ALA 3 HA ALA 3 4.816 -17.451 -11.342 19 1HB ALA 3 1HB ALA 3 5.670 -19.900 -12.893 20 2HB ALA 3 2HB ALA 3 4.711 -18.536 -13.471 21 3HB ALA 3 3HB ALA 3 6.422 -18.319 -13.099 22 H SER 4 H SER 4 3.183 -17.866 -9.911 23 HA SER 4 HA SER 4 2.354 -20.462 -9.105 24 1HB SER 4 1HB SER 4 0.652 -17.965 -9.157 25 2HB SER 4 2HB SER 4 0.438 -19.383 -8.135 26 HG SER 4 HG SER 4 1.672 -18.335 -6.797 27 H TRP 5 H TRP 5 1.493 -18.358 -11.772 28 HA TRP 5 HA TRP 5 0.351 -18.766 -13.725 29 1HB TRP 5 1HB TRP 5 1.498 -21.117 -13.370 30 2HB TRP 5 2HB TRP 5 -0.151 -21.625 -13.004 31 HD1 TRP 5 HD1 TRP 5 1.837 -19.856 -15.796 32 HE1 TRP 5 HE1 TRP 5 0.653 -20.308 -18.041 33 HE3 TRP 5 HE3 TRP 5 -2.267 -22.396 -14.132 34 HZ2 TRP 5 HZ2 TRP 5 -1.722 -21.580 -19.003 35 HZ3 TRP 5 HZ3 TRP 5 -3.973 -23.216 -15.731 36 HH2 TRP 5 HH2 TRP 5 -3.706 -22.811 -18.162 37 H HIS 6 H HIS 6 -1.143 -21.003 -11.396 38 HA HIS 6 HA HIS 6 -3.796 -20.450 -12.187 39 1HB HIS 6 1HB HIS 6 -2.713 -21.551 -9.585 40 2HB HIS 6 2HB HIS 6 -4.424 -21.509 -10.007 41 HD1 HIS 6 HD1 HIS 6 -1.750 -23.795 -10.048 42 HD2 HIS 6 HD2 HIS 6 -4.647 -22.776 -12.868 43 HE1 HIS 6 HE1 HIS 6 -1.865 -25.723 -11.684 44 H ARG 7 H ARG 7 -2.398 -19.655 -9.021 45 HA ARG 7 HA ARG 7 -3.732 -17.021 -9.158 46 1HB ARG 7 1HB ARG 7 -3.745 -18.970 -6.843 47 2HB ARG 7 2HB ARG 7 -4.223 -17.277 -6.704 48 1HG ARG 7 1HG ARG 7 -5.720 -17.964 -8.834 49 2HG ARG 7 2HG ARG 7 -5.624 -19.537 -8.041 50 1HD ARG 7 1HD ARG 7 -6.766 -18.817 -6.163 51 2HD ARG 7 2HD ARG 7 -6.245 -17.147 -6.356 52 HE ARG 7 HE ARG 7 -8.018 -18.041 -8.455 53 1HH1 ARG 7 1HH1 ARG 7 -7.833 -16.704 -5.226 54 2HH1 ARG 7 2HH1 ARG 7 -9.405 -15.987 -5.310 55 1HH2 ARG 7 1HH2 ARG 7 -10.061 -17.089 -8.525 56 2HH2 ARG 7 2HH2 ARG 7 -10.657 -16.202 -7.162 57 HA PRO 8 HA PRO 8 0.635 -16.426 -7.878 58 1HB PRO 8 1HB PRO 8 1.127 -14.295 -9.514 59 2HB PRO 8 2HB PRO 8 1.292 -15.983 -10.023 60 1HG PRO 8 1HG PRO 8 -0.794 -14.009 -10.725 61 2HG PRO 8 2HG PRO 8 -0.255 -15.443 -11.610 62 1HD PRO 8 1HD PRO 8 -2.604 -15.208 -10.014 63 2HD PRO 8 2HD PRO 8 -1.948 -16.697 -10.735 64 H ASP 9 H ASP 9 1.763 -14.192 -7.310 65 HA ASP 9 HA ASP 9 0.282 -13.012 -5.207 66 1HB ASP 9 1HB ASP 9 2.156 -11.356 -5.133 67 2HB ASP 9 2HB ASP 9 2.700 -13.033 -5.114 68 H LYS 10 H LYS 10 -1.238 -11.511 -5.275 69 HA LYS 10 HA LYS 10 -1.096 -9.305 -7.156 70 1HB LYS 10 1HB LYS 10 -2.269 -11.127 -8.426 71 2HB LYS 10 2HB LYS 10 -3.531 -11.100 -7.193 72 1HG LYS 10 1HG LYS 10 -4.221 -9.689 -9.052 73 2HG LYS 10 2HG LYS 10 -3.867 -8.664 -7.662 74 1HD LYS 10 1HD LYS 10 -2.020 -7.735 -8.643 75 2HD LYS 10 2HD LYS 10 -1.583 -9.229 -9.474 76 1HE LYS 10 1HE LYS 10 -2.273 -7.854 -11.244 77 2HE LYS 10 2HE LYS 10 -3.732 -8.780 -10.890 78 1HZ LYS 10 1HZ LYS 10 -3.157 -6.136 -9.681 79 2HZ LYS 10 2HZ LYS 10 -4.050 -6.326 -11.114 80 3HZ LYS 10 3HZ LYS 10 -4.622 -6.990 -9.658 81 H CYS 11 H CYS 11 -3.100 -11.020 -4.784 82 HA CYS 11 HA CYS 11 -4.239 -8.489 -3.856 83 1HB CYS 11 1HB CYS 11 -4.751 -11.301 -2.862 84 2HB CYS 11 2HB CYS 11 -5.680 -9.859 -2.454 85 H CYS 12 H CYS 12 -1.327 -9.597 -3.382 86 HA CYS 12 HA CYS 12 0.239 -9.453 -1.712 87 1HB CYS 12 1HB CYS 12 -1.921 -7.694 -0.542 88 2HB CYS 12 2HB CYS 12 -0.338 -7.907 0.206 89 H LEU 13 H LEU 13 0.557 -11.403 -0.817 90 HA LEU 13 HA LEU 13 -1.357 -12.898 0.622 91 1HB LEU 13 1HB LEU 13 1.632 -12.997 0.429 92 2HB LEU 13 2HB LEU 13 0.790 -14.018 1.573 93 HG LEU 13 HG LEU 13 1.304 -15.197 -0.530 94 1HD1 LEU 13 1HD1 LEU 13 -0.966 -15.349 0.902 95 2HD1 LEU 13 2HD1 LEU 13 -1.655 -14.856 -0.646 96 3HD1 LEU 13 3HD1 LEU 13 -0.697 -16.333 -0.536 97 1HD2 LEU 13 1HD2 LEU 13 1.115 -13.123 -1.962 98 2HD2 LEU 13 2HD2 LEU 13 0.273 -14.528 -2.615 99 3HD2 LEU 13 3HD2 LEU 13 -0.637 -13.249 -1.811 100 H GLY 14 H GLY 14 0.972 -10.468 1.585 101 1HA GLY 14 1HA GLY 14 1.581 -10.365 4.052 102 2HA GLY 14 2HA GLY 14 -0.151 -10.541 4.322 103 H TYR 15 H TYR 15 1.289 -8.354 5.292 104 HA TYR 15 HA TYR 15 0.730 -6.123 3.470 105 1HB TYR 15 1HB TYR 15 -0.518 -6.419 6.213 106 2HB TYR 15 2HB TYR 15 -0.513 -4.924 5.278 107 HD1 TYR 15 HD1 TYR 15 -1.715 -8.433 5.346 108 HD2 TYR 15 HD2 TYR 15 -1.960 -4.619 3.389 109 HE1 TYR 15 HE1 TYR 15 -3.700 -9.211 4.079 110 HE2 TYR 15 HE2 TYR 15 -3.943 -5.395 2.122 111 HH TYR 15 HH TYR 15 -4.882 -8.680 2.010 112 H GLN 16 H GLN 16 1.374 -3.996 4.621 113 HA GLN 16 HA GLN 16 4.107 -4.099 5.243 114 1HB GLN 16 1HB GLN 16 2.383 -2.066 4.687 115 2HB GLN 16 2HB GLN 16 2.613 -1.825 6.413 116 1HG GLN 16 1HG GLN 16 4.836 -2.066 4.361 117 2HG GLN 16 2HG GLN 16 4.286 -0.566 5.102 118 2HE2 GLN 16 2HE2 GLN 16 4.965 -0.102 7.265 119 1HE2 GLN 16 1HE2 GLN 16 6.075 -1.076 8.100 120 H LYS 17 H LYS 17 1.282 -3.844 7.348 121 HA LYS 17 HA LYS 17 0.971 -4.634 9.504 122 1HB LYS 17 1HB LYS 17 3.108 -6.109 9.007 123 2HB LYS 17 2HB LYS 17 3.890 -4.933 10.064 124 1HG LYS 17 1HG LYS 17 2.050 -5.349 11.745 125 2HG LYS 17 2HG LYS 17 1.501 -6.676 10.719 126 1HD LYS 17 1HD LYS 17 4.396 -6.620 11.428 127 2HD LYS 17 2HD LYS 17 3.262 -7.054 12.709 128 1HE LYS 17 1HE LYS 17 2.263 -8.765 11.185 129 2HE LYS 17 2HE LYS 17 3.508 -8.384 9.996 130 1HZ LYS 17 1HZ LYS 17 5.110 -8.839 11.935 131 2HZ LYS 17 2HZ LYS 17 3.795 -9.654 12.638 132 3HZ LYS 17 3HZ LYS 17 4.406 -10.160 11.135 133 H ARG 18 H ARG 18 3.813 -2.560 8.994 134 HA ARG 18 HA ARG 18 3.042 -1.014 11.379 135 1HB ARG 18 1HB ARG 18 5.603 -1.514 9.967 136 2HB ARG 18 2HB ARG 18 5.377 0.114 10.606 137 1HG ARG 18 1HG ARG 18 4.624 -2.123 12.413 138 2HG ARG 18 2HG ARG 18 6.347 -1.921 12.096 139 1HD ARG 18 1HD ARG 18 6.016 0.551 12.642 140 2HD ARG 18 2HD ARG 18 4.426 0.105 13.252 141 HE ARG 18 HE ARG 18 6.941 -0.336 14.562 142 1HH1 ARG 18 1HH1 ARG 18 3.719 -1.637 14.133 143 2HH1 ARG 18 2HH1 ARG 18 3.725 -2.459 15.653 144 1HH2 ARG 18 1HH2 ARG 18 6.907 -1.425 16.537 145 2HH2 ARG 18 2HH2 ARG 18 5.514 -2.342 17.005 146 HA PRO 19 HA PRO 19 1.698 2.289 8.797 147 1HB PRO 19 1HB PRO 19 2.123 4.445 10.421 148 2HB PRO 19 2HB PRO 19 0.839 3.254 10.673 149 1HG PRO 19 1HG PRO 19 3.338 3.654 12.184 150 2HG PRO 19 2HG PRO 19 1.829 2.879 12.686 151 1HD PRO 19 1HD PRO 19 4.245 1.584 11.862 152 2HD PRO 19 2HD PRO 19 2.685 0.816 12.239 153 H LEU 20 H LEU 20 2.321 3.815 7.311 154 HA LEU 20 HA LEU 20 5.209 4.449 7.211 155 1HB LEU 20 1HB LEU 20 3.456 4.736 4.822 156 2HB LEU 20 2HB LEU 20 5.160 4.353 4.912 157 HG LEU 20 HG LEU 20 3.249 2.299 5.930 158 1HD1 LEU 20 1HD1 LEU 20 2.575 3.421 3.577 159 2HD1 LEU 20 2HD1 LEU 20 3.806 2.295 3.006 160 3HD1 LEU 20 3HD1 LEU 20 2.400 1.693 3.885 161 1HD2 LEU 20 1HD2 LEU 20 5.982 2.512 4.797 162 2HD2 LEU 20 2HD2 LEU 20 5.355 1.413 6.025 163 3HD2 LEU 20 3HD2 LEU 20 5.073 1.081 4.316 164 HA PRO 21 HA PRO 21 3.960 8.710 7.463 165 1HB PRO 21 1HB PRO 21 6.294 9.890 6.673 166 2HB PRO 21 2HB PRO 21 6.069 9.126 8.257 167 1HG PRO 21 1HG PRO 21 7.626 8.183 5.931 168 2HG PRO 21 2HG PRO 21 7.803 7.779 7.645 169 1HD PRO 21 1HD PRO 21 6.552 6.190 5.620 170 2HD PRO 21 2HD PRO 21 6.604 5.860 7.368 171 H GLN 22 H GLN 22 2.832 10.024 6.124 172 HA GLN 22 HA GLN 22 2.815 9.610 3.294 173 1HB GLN 22 1HB GLN 22 0.854 10.394 4.692 174 2HB GLN 22 2HB GLN 22 1.640 11.971 4.767 175 1HG GLN 22 1HG GLN 22 1.450 10.803 2.053 176 2HG GLN 22 2HG GLN 22 -0.095 11.224 2.791 177 2HE2 GLN 22 2HE2 GLN 22 -0.172 12.975 1.082 178 1HE2 GLN 22 1HE2 GLN 22 0.665 14.424 1.365 179 H VAL 23 H VAL 23 4.885 11.400 5.300 180 HA VAL 23 HA VAL 23 5.416 13.746 3.953 181 HB VAL 23 HB VAL 23 6.408 13.114 6.122 182 1HG1 VAL 23 1HG1 VAL 23 7.002 10.734 5.005 183 2HG1 VAL 23 2HG1 VAL 23 8.557 11.539 4.800 184 3HG1 VAL 23 3HG1 VAL 23 7.860 11.365 6.410 185 1HG2 VAL 23 1HG2 VAL 23 8.371 13.790 3.913 186 2HG2 VAL 23 2HG2 VAL 23 7.469 14.926 4.915 187 3HG2 VAL 23 3HG2 VAL 23 8.735 13.931 5.633 188 H LEU 24 H LEU 24 6.145 10.488 2.947 189 HA LEU 24 HA LEU 24 7.511 11.611 0.583 190 1HB LEU 24 1HB LEU 24 9.183 10.005 0.585 191 2HB LEU 24 2HB LEU 24 9.066 10.506 2.252 192 HG LEU 24 HG LEU 24 9.349 8.195 2.387 193 1HD1 LEU 24 1HD1 LEU 24 7.308 9.021 3.630 194 2HD1 LEU 24 2HD1 LEU 24 6.333 8.408 2.295 195 3HD1 LEU 24 3HD1 LEU 24 7.303 7.297 3.261 196 1HD2 LEU 24 1HD2 LEU 24 8.665 8.112 -0.218 197 2HD2 LEU 24 2HD2 LEU 24 8.749 6.668 0.790 198 3HD2 LEU 24 3HD2 LEU 24 7.193 7.440 0.484 199 H LEU 25 H LEU 25 4.813 9.982 1.563 200 HA LEU 25 HA LEU 25 4.707 7.951 -0.476 201 1HB LEU 25 1HB LEU 25 3.378 8.280 1.824 202 2HB LEU 25 2HB LEU 25 2.231 9.041 0.748 203 HG LEU 25 HG LEU 25 1.957 6.989 -0.502 204 1HD1 LEU 25 1HD1 LEU 25 4.411 6.229 1.004 205 2HD1 LEU 25 2HD1 LEU 25 3.227 4.951 0.728 206 3HD1 LEU 25 3HD1 LEU 25 3.927 5.814 -0.640 207 1HD2 LEU 25 1HD2 LEU 25 1.749 6.965 2.476 208 2HD2 LEU 25 2HD2 LEU 25 0.475 6.864 1.261 209 3HD2 LEU 25 3HD2 LEU 25 1.460 5.447 1.626 210 H SER 26 H SER 26 2.763 7.989 -2.025 211 HA SER 26 HA SER 26 2.385 10.706 -3.129 212 1HB SER 26 1HB SER 26 3.536 8.317 -4.450 213 2HB SER 26 2HB SER 26 2.373 9.238 -5.397 214 HG SER 26 HG SER 26 4.240 10.273 -5.757 215 H SER 27 H SER 27 1.334 7.448 -4.125 216 HA SER 27 HA SER 27 -1.444 8.142 -3.464 217 1HB SER 27 1HB SER 27 -1.046 6.914 -6.131 218 2HB SER 27 2HB SER 27 -2.276 8.046 -5.584 219 HG SER 27 HG SER 27 -1.080 9.573 -6.366 220 H TRP 28 H TRP 28 -2.815 6.098 -4.395 221 HA TRP 28 HA TRP 28 -1.402 3.599 -3.751 222 1HB TRP 28 1HB TRP 28 -3.328 2.922 -2.274 223 2HB TRP 28 2HB TRP 28 -2.319 4.205 -1.608 224 HD1 TRP 28 HD1 TRP 28 -3.295 6.704 -1.670 225 HE1 TRP 28 HE1 TRP 28 -5.719 7.577 -1.749 226 HE3 TRP 28 HE3 TRP 28 -5.724 2.454 -3.148 227 HZ2 TRP 28 HZ2 TRP 28 -8.338 6.602 -2.359 228 HZ3 TRP 28 HZ3 TRP 28 -8.177 2.460 -3.471 229 HH2 TRP 28 HH2 TRP 28 -9.487 4.526 -3.079 230 H TYR 29 H TYR 29 -2.193 1.820 -4.820 231 HA TYR 29 HA TYR 29 -4.547 2.298 -6.539 232 1HB TYR 29 1HB TYR 29 -3.572 1.081 -8.312 233 2HB TYR 29 2HB TYR 29 -2.285 2.117 -7.716 234 HD1 TYR 29 HD1 TYR 29 -0.439 1.139 -6.303 235 HD2 TYR 29 HD2 TYR 29 -3.449 -1.304 -8.157 236 HE1 TYR 29 HE1 TYR 29 0.984 -0.861 -5.983 237 HE2 TYR 29 HE2 TYR 29 -2.022 -3.306 -7.831 238 HH TYR 29 HH TYR 29 0.672 -3.616 -7.568 239 HA PRO 30 HA PRO 30 -6.127 -1.239 -4.333 240 1HB PRO 30 1HB PRO 30 -8.496 -1.489 -5.670 241 2HB PRO 30 2HB PRO 30 -8.179 -0.239 -4.456 242 1HG PRO 30 1HG PRO 30 -8.380 0.009 -7.394 243 2HG PRO 30 2HG PRO 30 -8.639 1.228 -6.139 244 1HD PRO 30 1HD PRO 30 -6.320 0.922 -7.769 245 2HD PRO 30 2HD PRO 30 -6.514 2.017 -6.381 246 H THR 31 H THR 31 -6.642 -3.475 -4.627 247 HA THR 31 HA THR 31 -5.840 -4.555 -7.266 248 HB THR 31 HB THR 31 -4.200 -5.126 -5.565 249 HG1 THR 31 HG1 THR 31 -4.672 -6.750 -7.035 250 1HG2 THR 31 1HG2 THR 31 -6.652 -5.683 -3.992 251 2HG2 THR 31 2HG2 THR 31 -5.299 -6.787 -3.741 252 3HG2 THR 31 3HG2 THR 31 -5.090 -5.059 -3.461 253 H SER 32 H SER 32 -6.638 -6.977 -7.370 254 HA SER 32 HA SER 32 -9.471 -6.878 -7.559 255 1HB SER 32 1HB SER 32 -7.382 -8.963 -7.964 256 2HB SER 32 2HB SER 32 -9.042 -9.506 -7.742 257 HG SER 32 HG SER 32 -9.649 -8.389 -9.519 258 H GLN 33 H GLN 33 -11.045 -7.531 -6.201 259 HA GLN 33 HA GLN 33 -10.234 -8.366 -3.509 260 1HB GLN 33 1HB GLN 33 -12.602 -7.812 -2.933 261 2HB GLN 33 2HB GLN 33 -11.689 -6.442 -3.553 262 1HG GLN 33 1HG GLN 33 -13.085 -8.059 -5.606 263 2HG GLN 33 2HG GLN 33 -14.142 -7.193 -4.492 264 2HE2 GLN 33 2HE2 GLN 33 -14.796 -5.601 -6.083 265 1HE2 GLN 33 1HE2 GLN 33 -13.718 -4.425 -6.665 266 H LEU 34 H LEU 34 -10.274 -10.208 -5.831 267 HA LEU 34 HA LEU 34 -12.556 -11.950 -5.337 268 1HB LEU 34 1HB LEU 34 -10.200 -12.700 -7.018 269 2HB LEU 34 2HB LEU 34 -11.876 -13.174 -7.192 270 HG LEU 34 HG LEU 34 -11.038 -10.318 -7.637 271 1HD1 LEU 34 1HD1 LEU 34 -10.550 -12.708 -9.343 272 2HD1 LEU 34 2HD1 LEU 34 -11.157 -11.259 -10.146 273 3HD1 LEU 34 3HD1 LEU 34 -9.646 -11.197 -9.237 274 1HD2 LEU 34 1HD2 LEU 34 -13.467 -11.121 -7.432 275 2HD2 LEU 34 2HD2 LEU 34 -13.063 -10.203 -8.883 276 3HD2 LEU 34 3HD2 LEU 34 -13.201 -11.961 -8.961 277 H CYS 35 H CYS 35 -9.150 -11.727 -4.562 278 HA CYS 35 HA CYS 35 -8.662 -14.372 -3.750 279 1HB CYS 35 1HB CYS 35 -7.479 -11.847 -2.572 280 2HB CYS 35 2HB CYS 35 -6.796 -13.469 -2.470 281 H SER 36 H SER 36 -7.917 -14.550 -1.223 282 HA SER 36 HA SER 36 -10.450 -14.513 0.215 283 1HB SER 36 1HB SER 36 -7.738 -15.681 0.841 284 2HB SER 36 2HB SER 36 -9.074 -15.705 1.988 285 HG SER 36 HG SER 36 -10.301 -16.793 0.374 286 H LYS 37 H LYS 37 -7.363 -12.861 0.245 287 HA LYS 37 HA LYS 37 -8.422 -11.058 2.322 288 1HB LYS 37 1HB LYS 37 -6.142 -10.936 3.338 289 2HB LYS 37 2HB LYS 37 -6.905 -12.515 3.521 290 1HG LYS 37 1HG LYS 37 -5.651 -13.004 1.227 291 2HG LYS 37 2HG LYS 37 -4.593 -11.714 1.798 292 1HD LYS 37 1HD LYS 37 -4.125 -12.905 3.843 293 2HD LYS 37 2HD LYS 37 -5.346 -14.124 3.471 294 1HE LYS 37 1HE LYS 37 -4.067 -14.907 1.565 295 2HE LYS 37 2HE LYS 37 -2.902 -13.597 1.757 296 1HZ LYS 37 1HZ LYS 37 -3.418 -15.471 3.971 297 2HZ LYS 37 2HZ LYS 37 -2.355 -15.901 2.722 298 3HZ LYS 37 3HZ LYS 37 -2.040 -14.525 3.669 299 HA PRO 38 HA PRO 38 -6.660 -8.661 -1.191 300 1HB PRO 38 1HB PRO 38 -8.838 -7.066 -1.597 301 2HB PRO 38 2HB PRO 38 -8.637 -8.658 -2.342 302 1HG PRO 38 1HG PRO 38 -10.434 -7.831 -0.147 303 2HG PRO 38 2HG PRO 38 -10.582 -9.185 -1.276 304 1HD PRO 38 1HD PRO 38 -9.694 -9.303 1.434 305 2HD PRO 38 2HD PRO 38 -9.674 -10.625 0.242 306 H GLY 39 H GLY 39 -6.524 -6.193 -1.446 307 1HA GLY 39 1HA GLY 39 -5.429 -5.022 0.846 308 2HA GLY 39 2HA GLY 39 -7.090 -4.449 0.713 309 H VAL 40 H VAL 40 -4.537 -2.982 0.429 310 HA VAL 40 HA VAL 40 -4.619 -2.217 -2.416 311 HB VAL 40 HB VAL 40 -4.657 -0.151 -0.211 312 1HG1 VAL 40 1HG1 VAL 40 -3.817 0.092 -2.765 313 2HG1 VAL 40 2HG1 VAL 40 -5.540 0.387 -2.991 314 3HG1 VAL 40 3HG1 VAL 40 -4.608 1.397 -1.886 315 1HG2 VAL 40 1HG2 VAL 40 -6.872 -1.580 -1.604 316 2HG2 VAL 40 2HG2 VAL 40 -6.827 -0.886 0.017 317 3HG2 VAL 40 3HG2 VAL 40 -7.049 0.160 -1.386 318 H ILE 41 H ILE 41 -2.719 -1.505 -3.244 319 HA ILE 41 HA ILE 41 -0.384 -1.655 -1.449 320 HB ILE 41 HB ILE 41 -0.696 -2.167 -4.411 321 1HG1 ILE 41 1HG1 ILE 41 0.429 -4.346 -3.603 322 2HG1 ILE 41 2HG1 ILE 41 0.012 -3.798 -1.979 323 1HG2 ILE 41 1HG2 ILE 41 1.878 -2.061 -2.799 324 2HG2 ILE 41 2HG2 ILE 41 1.737 -2.586 -4.478 325 3HG2 ILE 41 3HG2 ILE 41 1.405 -0.906 -4.048 326 1HD1 ILE 41 1HD1 ILE 41 -2.191 -3.623 -3.945 327 2HD1 ILE 41 2HD1 ILE 41 -1.661 -5.263 -3.569 328 3HD1 ILE 41 3HD1 ILE 41 -2.211 -4.197 -2.277 329 H PHE 42 H PHE 42 0.282 0.291 -0.825 330 HA PHE 42 HA PHE 42 -0.334 2.701 -2.238 331 1HB PHE 42 1HB PHE 42 1.227 1.989 0.201 332 2HB PHE 42 2HB PHE 42 1.596 3.527 -0.579 333 HD1 PHE 42 HD1 PHE 42 -1.183 1.487 0.839 334 HD2 PHE 42 HD2 PHE 42 0.139 5.385 -0.387 335 HE1 PHE 42 HE1 PHE 42 -3.217 2.492 1.840 336 HE2 PHE 42 HE2 PHE 42 -1.895 6.390 0.613 337 HZ PHE 42 HZ PHE 42 -3.573 4.943 1.728 338 H LEU 43 H LEU 43 1.332 4.231 -2.982 339 HA LEU 43 HA LEU 43 3.758 2.930 -4.036 340 1HB LEU 43 1HB LEU 43 1.988 4.744 -5.668 341 2HB LEU 43 2HB LEU 43 3.449 3.941 -6.202 342 HG LEU 43 HG LEU 43 1.173 2.257 -5.240 343 1HD1 LEU 43 1HD1 LEU 43 1.192 4.015 -7.642 344 2HD1 LEU 43 2HD1 LEU 43 0.634 2.359 -7.878 345 3HD1 LEU 43 3HD1 LEU 43 -0.172 3.403 -6.707 346 1HD2 LEU 43 1HD2 LEU 43 3.633 1.662 -6.165 347 2HD2 LEU 43 2HD2 LEU 43 2.240 0.617 -6.452 348 3HD2 LEU 43 3HD2 LEU 43 2.771 1.742 -7.702 349 H THR 44 H THR 44 5.216 4.039 -2.809 350 HA THR 44 HA THR 44 4.960 6.761 -2.060 351 HB THR 44 HB THR 44 7.323 6.612 -1.437 352 HG1 THR 44 HG1 THR 44 7.213 4.122 -2.787 353 1HG2 THR 44 1HG2 THR 44 5.386 4.457 -0.770 354 2HG2 THR 44 2HG2 THR 44 7.057 4.205 -0.264 355 3HG2 THR 44 3HG2 THR 44 6.174 5.628 0.287 356 H LYS 45 H LYS 45 6.674 8.420 -2.715 357 HA LYS 45 HA LYS 45 6.351 9.065 -5.437 358 1HB LYS 45 1HB LYS 45 8.448 10.062 -3.491 359 2HB LYS 45 2HB LYS 45 8.044 10.814 -5.035 360 1HG LYS 45 1HG LYS 45 6.011 11.604 -4.279 361 2HG LYS 45 2HG LYS 45 5.810 10.288 -3.123 362 1HD LYS 45 1HD LYS 45 6.265 12.167 -1.764 363 2HD LYS 45 2HD LYS 45 7.818 11.338 -1.876 364 1HE LYS 45 1HE LYS 45 8.494 12.846 -3.712 365 2HE LYS 45 2HE LYS 45 6.945 13.682 -3.592 366 1HZ LYS 45 1HZ LYS 45 7.483 14.255 -1.301 367 2HZ LYS 45 2HZ LYS 45 8.981 13.475 -1.439 368 3HZ LYS 45 3HZ LYS 45 8.655 14.856 -2.373 369 H ARG 46 H ARG 46 9.293 8.023 -3.717 370 HA ARG 46 HA ARG 46 10.238 6.792 -6.235 371 1HB ARG 46 1HB ARG 46 11.375 8.986 -5.733 372 2HB ARG 46 2HB ARG 46 12.011 8.234 -4.269 373 1HG ARG 46 1HG ARG 46 13.410 6.811 -5.438 374 2HG ARG 46 2HG ARG 46 12.368 6.787 -6.862 375 1HD ARG 46 1HD ARG 46 14.196 8.089 -7.562 376 2HD ARG 46 2HD ARG 46 12.996 9.291 -7.101 377 HE ARG 46 HE ARG 46 14.715 8.609 -4.907 378 1HH1 ARG 46 1HH1 ARG 46 14.511 10.510 -7.840 379 2HH1 ARG 46 2HH1 ARG 46 15.665 11.678 -7.298 380 1HH2 ARG 46 1HH2 ARG 46 16.215 10.156 -4.240 381 2HH2 ARG 46 2HH2 ARG 46 16.622 11.481 -5.277 382 H GLY 47 H GLY 47 9.311 6.151 -3.136 383 1HA GLY 47 1HA GLY 47 9.848 4.561 -1.556 384 2HA GLY 47 2HA GLY 47 11.444 4.434 -2.287 385 H ARG 48 H ARG 48 8.487 2.922 -1.822 386 HA ARG 48 HA ARG 48 8.607 1.233 -4.198 387 1HB ARG 48 1HB ARG 48 9.652 0.403 -1.558 388 2HB ARG 48 2HB ARG 48 8.572 -0.752 -2.335 389 1HG ARG 48 1HG ARG 48 9.948 -0.657 -4.386 390 2HG ARG 48 2HG ARG 48 11.035 0.487 -3.598 391 1HD ARG 48 1HD ARG 48 11.613 -1.168 -1.904 392 2HD ARG 48 2HD ARG 48 10.448 -2.304 -2.576 393 HE ARG 48 HE ARG 48 13.095 -1.750 -3.589 394 1HH1 ARG 48 1HH1 ARG 48 9.879 -2.859 -4.416 395 2HH1 ARG 48 2HH1 ARG 48 10.421 -3.759 -5.790 396 1HH2 ARG 48 1HH2 ARG 48 13.758 -2.937 -5.388 397 2HH2 ARG 48 2HH2 ARG 48 12.597 -3.804 -6.337 398 H GLN 49 H GLN 49 7.029 -0.803 -3.557 399 HA GLN 49 HA GLN 49 4.461 0.477 -3.080 400 1HB GLN 49 1HB GLN 49 5.387 -2.128 -4.179 401 2HB GLN 49 2HB GLN 49 3.801 -2.105 -3.409 402 1HG GLN 49 1HG GLN 49 3.341 -1.563 -5.661 403 2HG GLN 49 2HG GLN 49 3.354 0.001 -4.843 404 2HE2 GLN 49 2HE2 GLN 49 4.888 -1.896 -7.312 405 1HE2 GLN 49 1HE2 GLN 49 6.102 -0.778 -7.706 406 H VAL 50 H VAL 50 2.858 -0.643 -1.638 407 HA VAL 50 HA VAL 50 3.979 -2.147 0.591 408 HB VAL 50 HB VAL 50 2.775 0.602 1.005 409 1HG1 VAL 50 1HG1 VAL 50 3.541 -1.612 2.914 410 2HG1 VAL 50 2HG1 VAL 50 3.484 0.073 3.427 411 3HG1 VAL 50 3HG1 VAL 50 2.025 -0.715 2.832 412 1HG2 VAL 50 1HG2 VAL 50 5.553 -0.541 1.351 413 2HG2 VAL 50 2HG2 VAL 50 5.065 0.825 0.348 414 3HG2 VAL 50 3HG2 VAL 50 5.044 0.969 2.107 415 H CYS 51 H CYS 51 2.572 -3.754 0.763 416 HA CYS 51 HA CYS 51 -0.196 -3.525 0.008 417 1HB CYS 51 1HB CYS 51 1.215 -5.700 1.579 418 2HB CYS 51 2HB CYS 51 -0.388 -5.822 0.856 419 H ALA 52 H ALA 52 -1.468 -2.232 1.236 420 HA ALA 52 HA ALA 52 -1.280 -2.551 4.180 421 1HB ALA 52 1HB ALA 52 -0.791 -0.250 2.903 422 2HB ALA 52 2HB ALA 52 -2.546 -0.122 3.024 423 3HB ALA 52 3HB ALA 52 -1.572 -0.304 4.483 424 H ASP 53 H ASP 53 -3.126 -2.848 5.340 425 HA ASP 53 HA ASP 53 -5.502 -3.625 3.812 426 1HB ASP 53 1HB ASP 53 -4.432 -4.204 6.525 427 2HB ASP 53 2HB ASP 53 -6.188 -4.151 6.366 428 H LYS 54 H LYS 54 -7.295 -2.426 3.707 429 HA LYS 54 HA LYS 54 -7.375 0.247 4.566 430 1HB LYS 54 1HB LYS 54 -9.820 0.120 4.041 431 2HB LYS 54 2HB LYS 54 -8.788 -0.485 2.744 432 1HG LYS 54 1HG LYS 54 -9.248 -2.756 3.297 433 2HG LYS 54 2HG LYS 54 -9.963 -2.310 4.848 434 1HD LYS 54 1HD LYS 54 -11.812 -1.176 3.685 435 2HD LYS 54 2HD LYS 54 -11.097 -1.593 2.128 436 1HE LYS 54 1HE LYS 54 -12.582 -3.352 2.350 437 2HE LYS 54 2HE LYS 54 -11.173 -4.050 3.149 438 1HZ LYS 54 1HZ LYS 54 -13.092 -2.462 4.711 439 2HZ LYS 54 2HZ LYS 54 -13.460 -4.076 4.328 440 3HZ LYS 54 3HZ LYS 54 -12.064 -3.710 5.223 441 H SER 55 H SER 55 -8.306 -2.716 6.162 442 HA SER 55 HA SER 55 -10.032 -1.720 8.132 443 1HB SER 55 1HB SER 55 -8.348 -4.119 7.807 444 2HB SER 55 2HB SER 55 -8.750 -3.703 9.470 445 HG SER 55 HG SER 55 -10.967 -3.544 8.702 446 H LYS 56 H LYS 56 -6.564 -1.513 7.808 447 HA LYS 56 HA LYS 56 -5.833 -0.978 10.467 448 1HB LYS 56 1HB LYS 56 -4.651 -0.031 7.850 449 2HB LYS 56 2HB LYS 56 -3.910 0.291 9.419 450 1HG LYS 56 1HG LYS 56 -4.666 -2.511 8.600 451 2HG LYS 56 2HG LYS 56 -3.117 -1.809 8.130 452 1HD LYS 56 1HD LYS 56 -2.339 -1.712 10.315 453 2HD LYS 56 2HD LYS 56 -3.964 -1.625 10.998 454 1HE LYS 56 1HE LYS 56 -3.528 -3.821 11.504 455 2HE LYS 56 2HE LYS 56 -4.111 -4.061 9.857 456 1HZ LYS 56 1HZ LYS 56 -1.694 -3.708 9.191 457 2HZ LYS 56 2HZ LYS 56 -1.323 -3.967 10.829 458 3HZ LYS 56 3HZ LYS 56 -2.091 -5.184 9.926 459 H ASP 57 H ASP 57 -4.761 1.360 10.872 460 HA ASP 57 HA ASP 57 -7.012 3.258 10.635 461 1HB ASP 57 1HB ASP 57 -4.730 3.178 12.623 462 2HB ASP 57 2HB ASP 57 -6.005 4.396 12.588 463 H TRP 58 H TRP 58 -3.471 3.034 10.448 464 HA TRP 58 HA TRP 58 -3.117 5.727 9.576 465 1HB TRP 58 1HB TRP 58 -0.823 5.032 8.979 466 2HB TRP 58 2HB TRP 58 -1.265 4.538 10.610 467 HD1 TRP 58 HD1 TRP 58 -1.683 1.946 11.053 468 HE1 TRP 58 HE1 TRP 58 -0.903 -0.151 9.776 469 HE3 TRP 58 HE3 TRP 58 -0.345 4.066 6.610 470 HZ2 TRP 58 HZ2 TRP 58 0.151 -0.843 7.193 471 HZ3 TRP 58 HZ3 TRP 58 0.546 2.673 4.763 472 HH2 TRP 58 HH2 TRP 58 0.791 0.226 5.050 473 H VAL 59 H VAL 59 -3.828 2.727 7.949 474 HA VAL 59 HA VAL 59 -3.112 3.629 5.319 475 HB VAL 59 HB VAL 59 -5.052 1.430 6.063 476 1HG1 VAL 59 1HG1 VAL 59 -4.877 2.356 3.655 477 2HG1 VAL 59 2HG1 VAL 59 -3.269 1.634 3.636 478 3HG1 VAL 59 3HG1 VAL 59 -4.689 0.616 3.867 479 1HG2 VAL 59 1HG2 VAL 59 -2.832 1.172 7.175 480 2HG2 VAL 59 2HG2 VAL 59 -3.121 -0.073 5.960 481 3HG2 VAL 59 3HG2 VAL 59 -2.056 1.285 5.596 482 H LYS 60 H LYS 60 -5.994 3.683 7.312 483 HA LYS 60 HA LYS 60 -7.862 4.406 5.310 484 1HB LYS 60 1HB LYS 60 -8.326 3.618 7.711 485 2HB LYS 60 2HB LYS 60 -8.033 5.292 8.187 486 1HG LYS 60 1HG LYS 60 -9.733 5.879 6.300 487 2HG LYS 60 2HG LYS 60 -10.218 4.188 6.432 488 1HD LYS 60 1HD LYS 60 -10.823 4.444 8.732 489 2HD LYS 60 2HD LYS 60 -10.046 6.025 8.831 490 1HE LYS 60 1HE LYS 60 -12.205 6.743 8.514 491 2HE LYS 60 2HE LYS 60 -11.760 6.528 6.821 492 1HZ LYS 60 1HZ LYS 60 -12.982 4.381 8.457 493 2HZ LYS 60 2HZ LYS 60 -13.895 5.457 7.516 494 3HZ LYS 60 3HZ LYS 60 -12.778 4.415 6.770 495 H LYS 61 H LYS 61 -5.900 6.350 7.549 496 HA LYS 61 HA LYS 61 -6.891 8.878 6.811 497 1HB LYS 61 1HB LYS 61 -4.190 8.040 7.881 498 2HB LYS 61 2HB LYS 61 -4.663 9.724 7.655 499 1HG LYS 61 1HG LYS 61 -6.350 9.601 9.289 500 2HG LYS 61 2HG LYS 61 -6.417 7.840 9.219 501 1HD LYS 61 1HD LYS 61 -5.271 8.432 11.256 502 2HD LYS 61 2HD LYS 61 -4.062 7.803 10.136 503 1HE LYS 61 1HE LYS 61 -2.974 9.730 10.780 504 2HE LYS 61 2HE LYS 61 -3.923 10.386 9.446 505 1HZ LYS 61 1HZ LYS 61 -5.697 10.782 11.220 506 2HZ LYS 61 2HZ LYS 61 -4.440 10.576 12.345 507 3HZ LYS 61 3HZ LYS 61 -4.353 11.822 11.197 508 H LEU 62 H LEU 62 -4.174 6.984 5.533 509 HA LEU 62 HA LEU 62 -3.229 8.902 3.691 510 1HB LEU 62 1HB LEU 62 -3.169 5.894 3.548 511 2HB LEU 62 2HB LEU 62 -2.287 6.954 2.473 512 HG LEU 62 HG LEU 62 -1.838 7.248 5.409 513 1HD1 LEU 62 1HD1 LEU 62 -1.015 4.924 3.685 514 2HD1 LEU 62 2HD1 LEU 62 0.028 5.467 4.999 515 3HD1 LEU 62 3HD1 LEU 62 -1.610 4.917 5.344 516 1HD2 LEU 62 1HD2 LEU 62 -0.419 7.740 2.825 517 2HD2 LEU 62 2HD2 LEU 62 -0.518 8.759 4.261 518 3HD2 LEU 62 3HD2 LEU 62 0.569 7.370 4.238 519 H MET 63 H MET 63 -5.623 6.326 3.412 520 HA MET 63 HA MET 63 -6.200 6.448 0.694 521 1HB MET 63 1HB MET 63 -7.903 5.817 3.090 522 2HB MET 63 2HB MET 63 -8.593 5.826 1.468 523 1HG MET 63 1HG MET 63 -6.383 4.359 0.984 524 2HG MET 63 2HG MET 63 -6.624 3.951 2.682 525 1HE MET 63 1HE MET 63 -7.046 3.380 -0.614 526 2HE MET 63 2HE MET 63 -7.213 1.692 -0.113 527 3HE MET 63 3HE MET 63 -8.524 2.493 -0.974 528 H GLN 64 H GLN 64 -7.290 8.530 3.312 529 HA GLN 64 HA GLN 64 -9.047 10.052 1.552 530 1HB GLN 64 1HB GLN 64 -8.469 9.999 4.470 531 2HB GLN 64 2HB GLN 64 -9.021 11.529 3.786 532 1HG GLN 64 1HG GLN 64 -10.499 9.090 2.939 533 2HG GLN 64 2HG GLN 64 -10.728 9.608 4.609 534 2HE2 GLN 64 2HE2 GLN 64 -11.922 11.547 4.990 535 1HE2 GLN 64 1HE2 GLN 64 -12.645 12.444 3.743 536 H GLN 65 H GLN 65 -5.868 10.295 3.005 537 HA GLN 65 HA GLN 65 -5.456 13.065 2.409 538 1HB GLN 65 1HB GLN 65 -3.725 10.788 3.289 539 2HB GLN 65 2HB GLN 65 -2.962 12.248 2.664 540 1HG GLN 65 1HG GLN 65 -4.785 13.358 4.335 541 2HG GLN 65 2HG GLN 65 -4.484 11.838 5.178 542 2HE2 GLN 65 2HE2 GLN 65 -3.625 14.531 6.068 543 1HE2 GLN 65 1HE2 GLN 65 -1.930 14.485 6.149 544 H LEU 66 H LEU 66 -4.932 10.047 0.706 545 HA LEU 66 HA LEU 66 -3.781 11.547 -1.569 546 1HB LEU 66 1HB LEU 66 -3.517 8.663 -0.737 547 2HB LEU 66 2HB LEU 66 -3.078 9.224 -2.335 548 HG LEU 66 HG LEU 66 -1.331 10.634 -1.413 549 1HD1 LEU 66 1HD1 LEU 66 -2.667 9.911 1.170 550 2HD1 LEU 66 2HD1 LEU 66 -0.932 10.227 1.171 551 3HD1 LEU 66 3HD1 LEU 66 -2.055 11.473 0.628 552 1HD2 LEU 66 1HD2 LEU 66 -1.266 7.912 -1.500 553 2HD2 LEU 66 2HD2 LEU 66 0.129 8.903 -1.078 554 3HD2 LEU 66 3HD2 LEU 66 -0.858 8.183 0.193 555 HA PRO 67 HA PRO 67 -7.515 10.515 -3.693 556 1HB PRO 67 1HB PRO 67 -6.690 10.834 -6.287 557 2HB PRO 67 2HB PRO 67 -7.028 12.179 -5.186 558 1HG PRO 67 1HG PRO 67 -4.419 11.122 -6.122 559 2HG PRO 67 2HG PRO 67 -4.854 12.758 -5.605 560 1HD PRO 67 1HD PRO 67 -3.464 10.845 -4.060 561 2HD PRO 67 2HD PRO 67 -4.199 12.348 -3.452 562 H VAL 68 H VAL 68 -5.326 9.305 -6.208 563 HA VAL 68 HA VAL 68 -5.169 6.631 -5.508 564 HB VAL 68 HB VAL 68 -7.833 7.190 -5.979 565 1HG1 VAL 68 1HG1 VAL 68 -7.365 7.494 -8.431 566 2HG1 VAL 68 2HG1 VAL 68 -6.854 5.807 -8.486 567 3HG1 VAL 68 3HG1 VAL 68 -8.520 6.211 -8.067 568 1HG2 VAL 68 1HG2 VAL 68 -6.465 5.137 -5.042 569 2HG2 VAL 68 2HG2 VAL 68 -8.127 4.933 -5.595 570 3HG2 VAL 68 3HG2 VAL 68 -6.786 4.470 -6.643 571 H THR 69 H THR 69 -4.505 5.243 -7.342 572 HA THR 69 HA THR 69 -2.652 6.589 -9.002 573 HB THR 69 HB THR 69 -2.835 4.235 -10.257 574 HG1 THR 69 HG1 THR 69 -4.724 3.704 -9.026 575 1HG2 THR 69 1HG2 THR 69 -0.944 5.161 -8.874 576 2HG2 THR 69 2HG2 THR 69 -1.729 4.482 -7.449 577 3HG2 THR 69 3HG2 THR 69 -1.152 3.416 -8.731 578 H ALA 70 H ALA 70 -2.679 7.103 -11.162 579 HA ALA 70 HA ALA 70 -3.568 7.775 -13.174 580 1HB ALA 70 1HB ALA 70 -5.129 6.326 -14.266 581 2HB ALA 70 2HB ALA 70 -4.057 5.294 -13.319 582 3HB ALA 70 3HB ALA 70 -5.679 5.657 -12.729 583 H ARG 71 H ARG 71 -4.269 9.808 -12.680 584 HA ARG 71 HA ARG 71 -6.689 10.331 -11.233 585 1HB ARG 71 1HB ARG 71 -6.331 12.684 -12.007 586 2HB ARG 71 2HB ARG 71 -4.926 11.989 -11.200 587 1HG ARG 71 1HG ARG 71 -3.719 11.780 -13.180 588 2HG ARG 71 2HG ARG 71 -5.174 11.723 -14.178 589 1HD ARG 71 1HD ARG 71 -5.485 14.040 -14.084 590 2HD ARG 71 2HD ARG 71 -4.526 14.209 -12.618 591 HE ARG 71 HE ARG 71 -2.894 13.270 -14.752 592 1HH1 ARG 71 1HH1 ARG 71 -4.527 16.144 -13.598 593 2HH1 ARG 71 2HH1 ARG 71 -3.410 17.222 -14.362 594 1HH2 ARG 71 1HH2 ARG 71 -1.462 14.711 -15.731 595 2HH2 ARG 71 2HH2 ARG 71 -1.689 16.419 -15.559 No H/Q in entry = 595 Start of MODEL 18 1 H1 LEU 1 H1 LEU 1 -9.108 -9.349 -31.491 2 H2 LEU 1 H2 LEU 1 -8.757 -9.761 -33.101 3 H3 LEU 1 H3 LEU 1 -9.307 -10.948 -32.018 4 HA LEU 1 HA LEU 1 -7.024 -11.334 -32.165 5 1HB LEU 1 1HB LEU 1 -6.854 -8.319 -32.040 6 2HB LEU 1 2HB LEU 1 -5.448 -9.343 -31.744 7 HG LEU 1 HG LEU 1 -7.059 -9.938 -34.178 8 1HD1 LEU 1 1HD1 LEU 1 -5.458 -7.428 -33.738 9 2HD1 LEU 1 2HD1 LEU 1 -5.518 -8.169 -35.338 10 3HD1 LEU 1 3HD1 LEU 1 -7.005 -7.626 -34.562 11 1HD2 LEU 1 1HD2 LEU 1 -4.208 -10.067 -33.247 12 2HD2 LEU 1 2HD2 LEU 1 -5.199 -11.328 -33.979 13 3HD2 LEU 1 3HD2 LEU 1 -4.540 -10.033 -34.978 14 H GLY 2 H GLY 2 -7.056 -12.472 -30.312 15 1HA GLY 2 1HA GLY 2 -7.586 -12.753 -27.982 16 2HA GLY 2 2HA GLY 2 -7.315 -11.028 -27.750 17 H ALA 3 H ALA 3 -6.100 -12.642 -26.005 18 HA ALA 3 HA ALA 3 -3.557 -13.648 -26.718 19 1HB ALA 3 1HB ALA 3 -2.761 -11.489 -27.201 20 2HB ALA 3 2HB ALA 3 -3.666 -10.760 -25.876 21 3HB ALA 3 3HB ALA 3 -2.251 -11.753 -25.533 22 H SER 4 H SER 4 -2.146 -13.938 -24.748 23 HA SER 4 HA SER 4 -3.878 -14.551 -22.450 24 1HB SER 4 1HB SER 4 -1.039 -15.473 -22.892 25 2HB SER 4 2HB SER 4 -2.224 -16.131 -21.767 26 HG SER 4 HG SER 4 -3.500 -16.627 -23.679 27 H TRP 5 H TRP 5 -0.530 -13.471 -22.970 28 HA TRP 5 HA TRP 5 0.789 -11.961 -21.841 29 1HB TRP 5 1HB TRP 5 -1.418 -10.576 -22.374 30 2HB TRP 5 2HB TRP 5 -1.591 -10.633 -20.620 31 HD1 TRP 5 HD1 TRP 5 1.024 -9.630 -23.280 32 HE1 TRP 5 HE1 TRP 5 2.477 -7.737 -22.305 33 HE3 TRP 5 HE3 TRP 5 -0.897 -9.388 -18.554 34 HZ2 TRP 5 HZ2 TRP 5 2.784 -6.309 -19.845 35 HZ3 TRP 5 HZ3 TRP 5 -0.006 -7.754 -16.917 36 HH2 TRP 5 HH2 TRP 5 1.830 -6.216 -17.556 37 H HIS 6 H HIS 6 1.545 -11.370 -19.716 38 HA HIS 6 HA HIS 6 0.498 -13.178 -17.620 39 1HB HIS 6 1HB HIS 6 2.794 -13.024 -16.635 40 2HB HIS 6 2HB HIS 6 2.759 -13.787 -18.226 41 HD1 HIS 6 HD1 HIS 6 3.560 -12.300 -20.272 42 HD2 HIS 6 HD2 HIS 6 4.250 -10.624 -16.518 43 HE1 HIS 6 HE1 HIS 6 5.200 -10.402 -20.625 44 H ARG 7 H ARG 7 -0.520 -12.203 -16.013 45 HA ARG 7 HA ARG 7 -0.279 -9.332 -15.626 46 1HB ARG 7 1HB ARG 7 -2.085 -11.485 -14.630 47 2HB ARG 7 2HB ARG 7 -1.900 -10.045 -13.630 48 1HG ARG 7 1HG ARG 7 -3.583 -9.271 -14.984 49 2HG ARG 7 2HG ARG 7 -2.222 -8.861 -16.029 50 1HD ARG 7 1HD ARG 7 -3.462 -10.060 -17.546 51 2HD ARG 7 2HD ARG 7 -2.575 -11.394 -16.818 52 HE ARG 7 HE ARG 7 -4.583 -12.172 -15.986 53 1HH1 ARG 7 1HH1 ARG 7 -4.889 -8.756 -16.688 54 2HH1 ARG 7 2HH1 ARG 7 -6.577 -8.713 -16.310 55 1HH2 ARG 7 1HH2 ARG 7 -6.784 -12.072 -15.502 56 2HH2 ARG 7 2HH2 ARG 7 -7.642 -10.574 -15.643 57 HA PRO 8 HA PRO 8 2.451 -9.555 -12.160 58 1HB PRO 8 1HB PRO 8 1.600 -7.460 -10.627 59 2HB PRO 8 2HB PRO 8 2.467 -7.269 -12.158 60 1HG PRO 8 1HG PRO 8 -0.391 -6.810 -11.549 61 2HG PRO 8 2HG PRO 8 0.618 -6.106 -12.821 62 1HD PRO 8 1HD PRO 8 -1.269 -8.216 -13.122 63 2HD PRO 8 2HD PRO 8 -0.100 -7.651 -14.337 64 H ASP 9 H ASP 9 2.225 -8.998 -9.518 65 HA ASP 9 HA ASP 9 1.018 -11.300 -8.424 66 1HB ASP 9 1HB ASP 9 2.221 -8.810 -7.291 67 2HB ASP 9 2HB ASP 9 1.275 -9.851 -6.226 68 H LYS 10 H LYS 10 0.080 -7.889 -8.119 69 HA LYS 10 HA LYS 10 -1.954 -6.870 -7.826 70 1HB LYS 10 1HB LYS 10 -3.118 -9.548 -8.624 71 2HB LYS 10 2HB LYS 10 -3.996 -8.023 -8.528 72 1HG LYS 10 1HG LYS 10 -1.584 -8.479 -10.305 73 2HG LYS 10 2HG LYS 10 -3.255 -8.603 -10.856 74 1HD LYS 10 1HD LYS 10 -3.367 -6.185 -9.660 75 2HD LYS 10 2HD LYS 10 -1.671 -6.189 -10.144 76 1HE LYS 10 1HE LYS 10 -2.542 -5.400 -12.112 77 2HE LYS 10 2HE LYS 10 -2.786 -7.119 -12.423 78 1HZ LYS 10 1HZ LYS 10 -5.012 -6.830 -11.322 79 2HZ LYS 10 2HZ LYS 10 -4.758 -5.153 -11.415 80 3HZ LYS 10 3HZ LYS 10 -4.837 -6.077 -12.835 81 H CYS 11 H CYS 11 -2.711 -10.187 -6.794 82 HA CYS 11 HA CYS 11 -4.123 -9.406 -4.484 83 1HB CYS 11 1HB CYS 11 -2.682 -12.035 -4.914 84 2HB CYS 11 2HB CYS 11 -4.024 -11.733 -3.813 85 H CYS 12 H CYS 12 -3.240 -10.679 -2.320 86 HA CYS 12 HA CYS 12 -0.500 -10.459 -1.686 87 1HB CYS 12 1HB CYS 12 -1.061 -8.007 -2.026 88 2HB CYS 12 2HB CYS 12 -2.123 -8.139 -0.625 89 H LEU 13 H LEU 13 -0.077 -10.938 0.535 90 HA LEU 13 HA LEU 13 -2.468 -11.824 2.041 91 1HB LEU 13 1HB LEU 13 -0.748 -13.518 3.033 92 2HB LEU 13 2HB LEU 13 -1.561 -13.860 1.523 93 HG LEU 13 HG LEU 13 1.144 -12.548 1.516 94 1HD1 LEU 13 1HD1 LEU 13 0.869 -14.819 2.906 95 2HD1 LEU 13 2HD1 LEU 13 0.923 -15.516 1.286 96 3HD1 LEU 13 3HD1 LEU 13 2.266 -14.532 1.868 97 1HD2 LEU 13 1HD2 LEU 13 -0.593 -13.072 -0.480 98 2HD2 LEU 13 2HD2 LEU 13 1.155 -13.137 -0.706 99 3HD2 LEU 13 3HD2 LEU 13 0.247 -14.622 -0.424 100 H GLY 14 H GLY 14 0.888 -10.721 2.251 101 1HA GLY 14 1HA GLY 14 2.065 -10.009 4.174 102 2HA GLY 14 2HA GLY 14 0.568 -10.110 5.099 103 H TYR 15 H TYR 15 0.943 -7.998 5.939 104 HA TYR 15 HA TYR 15 0.712 -5.803 3.979 105 1HB TYR 15 1HB TYR 15 -0.954 -6.150 6.481 106 2HB TYR 15 2HB TYR 15 -0.904 -4.681 5.507 107 HD1 TYR 15 HD1 TYR 15 -1.564 -8.359 5.251 108 HD2 TYR 15 HD2 TYR 15 -2.302 -4.451 3.642 109 HE1 TYR 15 HE1 TYR 15 -3.244 -9.316 3.698 110 HE2 TYR 15 HE2 TYR 15 -3.980 -5.401 2.087 111 HH TYR 15 HH TYR 15 -4.185 -8.371 1.202 112 H GLN 16 H GLN 16 1.067 -3.640 5.084 113 HA GLN 16 HA GLN 16 3.608 -3.693 6.383 114 1HB GLN 16 1HB GLN 16 2.554 -1.830 4.887 115 2HB GLN 16 2HB GLN 16 1.818 -1.285 6.377 116 1HG GLN 16 1HG GLN 16 3.933 -0.111 6.015 117 2HG GLN 16 2HG GLN 16 4.053 -1.151 7.429 118 2HE2 GLN 16 2HE2 GLN 16 5.196 -0.678 4.132 119 1HE2 GLN 16 1HE2 GLN 16 6.372 -1.900 4.175 120 H LYS 17 H LYS 17 3.847 -4.329 8.422 121 HA LYS 17 HA LYS 17 1.723 -4.101 10.354 122 1HB LYS 17 1HB LYS 17 3.415 -5.013 11.943 123 2HB LYS 17 2HB LYS 17 3.222 -6.002 10.495 124 1HG LYS 17 1HG LYS 17 5.301 -5.461 9.678 125 2HG LYS 17 2HG LYS 17 5.275 -3.846 10.387 126 1HD LYS 17 1HD LYS 17 6.866 -4.941 11.712 127 2HD LYS 17 2HD LYS 17 5.394 -5.120 12.668 128 1HE LYS 17 1HE LYS 17 6.086 -7.318 12.665 129 2HE LYS 17 2HE LYS 17 5.147 -7.324 11.173 130 1HZ LYS 17 1HZ LYS 17 8.047 -6.718 11.257 131 2HZ LYS 17 2HZ LYS 17 7.436 -8.284 11.008 132 3HZ LYS 17 3HZ LYS 17 7.096 -7.047 9.893 133 H ARG 18 H ARG 18 4.061 -1.925 9.212 134 HA ARG 18 HA ARG 18 3.846 -0.351 11.709 135 1HB ARG 18 1HB ARG 18 5.999 0.692 11.149 136 2HB ARG 18 2HB ARG 18 6.170 -1.055 11.311 137 1HG ARG 18 1HG ARG 18 5.597 -0.841 8.647 138 2HG ARG 18 2HG ARG 18 6.478 0.660 8.918 139 1HD ARG 18 1HD ARG 18 8.076 -1.035 10.272 140 2HD ARG 18 2HD ARG 18 7.429 -2.152 9.076 141 HE ARG 18 HE ARG 18 8.722 -1.085 7.481 142 1HH1 ARG 18 1HH1 ARG 18 8.343 1.023 10.249 143 2HH1 ARG 18 2HH1 ARG 18 9.430 2.218 9.631 144 1HH2 ARG 18 1HH2 ARG 18 10.132 0.497 6.712 145 2HH2 ARG 18 2HH2 ARG 18 10.436 1.924 7.645 146 HA PRO 19 HA PRO 19 1.941 2.686 9.114 147 1HB PRO 19 1HB PRO 19 2.135 4.856 10.761 148 2HB PRO 19 2HB PRO 19 1.003 3.522 11.022 149 1HG PRO 19 1HG PRO 19 3.469 4.195 12.493 150 2HG PRO 19 2HG PRO 19 2.062 3.259 13.018 151 1HD PRO 19 1HD PRO 19 4.587 2.233 12.158 152 2HD PRO 19 2HD PRO 19 3.118 1.301 12.535 153 H LEU 20 H LEU 20 2.591 3.918 7.436 154 HA LEU 20 HA LEU 20 5.298 5.102 7.545 155 1HB LEU 20 1HB LEU 20 3.902 4.938 4.946 156 2HB LEU 20 2HB LEU 20 5.582 4.657 5.337 157 HG LEU 20 HG LEU 20 3.276 2.723 5.628 158 1HD1 LEU 20 1HD1 LEU 20 4.737 3.280 3.432 159 2HD1 LEU 20 2HD1 LEU 20 5.812 2.108 4.194 160 3HD1 LEU 20 3HD1 LEU 20 4.154 1.656 3.795 161 1HD2 LEU 20 1HD2 LEU 20 6.012 2.760 6.832 162 2HD2 LEU 20 2HD2 LEU 20 4.512 2.095 7.477 163 3HD2 LEU 20 3HD2 LEU 20 5.402 1.218 6.231 164 HA PRO 21 HA PRO 21 3.373 9.085 7.245 165 1HB PRO 21 1HB PRO 21 5.531 10.563 6.436 166 2HB PRO 21 2HB PRO 21 5.328 9.937 8.082 167 1HG PRO 21 1HG PRO 21 7.157 9.029 5.946 168 2HG PRO 21 2HG PRO 21 7.303 8.861 7.700 169 1HD PRO 21 1HD PRO 21 6.472 6.850 5.855 170 2HD PRO 21 2HD PRO 21 6.434 6.752 7.632 171 H GLN 22 H GLN 22 2.365 10.398 5.747 172 HA GLN 22 HA GLN 22 2.329 9.545 3.011 173 1HB GLN 22 1HB GLN 22 0.393 10.570 4.337 174 2HB GLN 22 2HB GLN 22 1.170 12.128 4.051 175 1HG GLN 22 1HG GLN 22 0.916 10.433 1.643 176 2HG GLN 22 2HG GLN 22 -0.620 10.950 2.336 177 2HE2 GLN 22 2HE2 GLN 22 1.627 11.891 0.089 178 1HE2 GLN 22 1HE2 GLN 22 1.400 13.572 0.149 179 H VAL 23 H VAL 23 4.460 11.558 4.699 180 HA VAL 23 HA VAL 23 4.948 13.671 2.973 181 HB VAL 23 HB VAL 23 5.938 13.447 5.227 182 1HG1 VAL 23 1HG1 VAL 23 6.510 10.950 4.777 183 2HG1 VAL 23 2HG1 VAL 23 7.983 11.580 4.046 184 3HG1 VAL 23 3HG1 VAL 23 7.633 11.905 5.744 185 1HG2 VAL 23 1HG2 VAL 23 7.935 13.733 2.967 186 2HG2 VAL 23 2HG2 VAL 23 6.956 15.022 3.670 187 3HG2 VAL 23 3HG2 VAL 23 8.217 14.249 4.631 188 H LEU 24 H LEU 24 6.271 10.397 2.905 189 HA LEU 24 HA LEU 24 7.678 10.983 0.405 190 1HB LEU 24 1HB LEU 24 9.060 9.278 0.911 191 2HB LEU 24 2HB LEU 24 8.429 9.486 2.525 192 HG LEU 24 HG LEU 24 7.429 7.440 0.520 193 1HD1 LEU 24 1HD1 LEU 24 9.297 7.215 2.889 194 2HD1 LEU 24 2HD1 LEU 24 8.563 5.831 2.078 195 3HD1 LEU 24 3HD1 LEU 24 9.674 6.881 1.199 196 1HD2 LEU 24 1HD2 LEU 24 6.354 8.445 3.013 197 2HD2 LEU 24 2HD2 LEU 24 5.670 7.245 1.921 198 3HD2 LEU 24 3HD2 LEU 24 6.781 6.748 3.195 199 H LEU 25 H LEU 25 4.935 9.245 1.662 200 HA LEU 25 HA LEU 25 4.395 7.537 -0.479 201 1HB LEU 25 1HB LEU 25 3.232 7.956 1.898 202 2HB LEU 25 2HB LEU 25 2.095 8.805 0.880 203 HG LEU 25 HG LEU 25 1.583 6.794 -0.345 204 1HD1 LEU 25 1HD1 LEU 25 4.076 5.841 0.972 205 2HD1 LEU 25 2HD1 LEU 25 2.791 4.652 0.762 206 3HD1 LEU 25 3HD1 LEU 25 3.452 5.492 -0.640 207 1HD2 LEU 25 1HD2 LEU 25 1.587 6.716 2.643 208 2HD2 LEU 25 2HD2 LEU 25 0.224 6.746 1.525 209 3HD2 LEU 25 3HD2 LEU 25 1.119 5.249 1.784 210 H SER 26 H SER 26 3.107 7.663 -2.271 211 HA SER 26 HA SER 26 2.628 10.409 -3.264 212 1HB SER 26 1HB SER 26 4.156 8.533 -4.447 213 2HB SER 26 2HB SER 26 2.599 8.132 -5.164 214 HG SER 26 HG SER 26 3.041 9.749 -6.434 215 H SER 27 H SER 27 1.314 7.165 -3.990 216 HA SER 27 HA SER 27 -1.388 8.085 -3.365 217 1HB SER 27 1HB SER 27 -0.399 8.131 -6.038 218 2HB SER 27 2HB SER 27 -1.562 6.813 -5.927 219 HG SER 27 HG SER 27 -2.811 8.546 -6.266 220 H TRP 28 H TRP 28 -2.793 6.016 -4.572 221 HA TRP 28 HA TRP 28 -1.570 3.472 -3.889 222 1HB TRP 28 1HB TRP 28 -3.365 2.895 -2.240 223 2HB TRP 28 2HB TRP 28 -2.269 4.150 -1.669 224 HD1 TRP 28 HD1 TRP 28 -3.177 6.670 -1.641 225 HE1 TRP 28 HE1 TRP 28 -5.573 7.618 -1.554 226 HE3 TRP 28 HE3 TRP 28 -5.829 2.498 -2.953 227 HZ2 TRP 28 HZ2 TRP 28 -8.257 6.721 -1.994 228 HZ3 TRP 28 HZ3 TRP 28 -8.297 2.580 -3.115 229 HH2 TRP 28 HH2 TRP 28 -9.514 4.683 -2.634 230 H TYR 29 H TYR 29 -2.601 1.757 -4.862 231 HA TYR 29 HA TYR 29 -5.067 2.429 -6.360 232 1HB TYR 29 1HB TYR 29 -4.367 1.074 -8.210 233 2HB TYR 29 2HB TYR 29 -3.050 2.176 -7.836 234 HD1 TYR 29 HD1 TYR 29 -4.255 -1.317 -7.418 235 HD2 TYR 29 HD2 TYR 29 -0.903 1.357 -7.177 236 HE1 TYR 29 HE1 TYR 29 -2.728 -3.255 -7.174 237 HE2 TYR 29 HE2 TYR 29 0.624 -0.583 -6.930 238 HH TYR 29 HH TYR 29 0.681 -2.949 -7.426 239 HA PRO 30 HA PRO 30 -6.764 -1.012 -4.175 240 1HB PRO 30 1HB PRO 30 -9.039 -1.389 -5.643 241 2HB PRO 30 2HB PRO 30 -8.808 -0.054 -4.504 242 1HG PRO 30 1HG PRO 30 -8.793 -0.022 -7.464 243 2HG PRO 30 2HG PRO 30 -9.184 1.274 -6.323 244 1HD PRO 30 1HD PRO 30 -6.746 0.958 -7.742 245 2HD PRO 30 2HD PRO 30 -7.053 2.090 -6.405 246 H THR 31 H THR 31 -7.318 -3.242 -4.325 247 HA THR 31 HA THR 31 -5.976 -4.632 -6.538 248 HB THR 31 HB THR 31 -6.466 -6.662 -5.014 249 HG1 THR 31 HG1 THR 31 -6.752 -4.628 -3.080 250 1HG2 THR 31 1HG2 THR 31 -4.245 -5.574 -5.268 251 2HG2 THR 31 2HG2 THR 31 -4.671 -4.459 -3.969 252 3HG2 THR 31 3HG2 THR 31 -4.515 -6.183 -3.635 253 H SER 32 H SER 32 -7.104 -6.932 -6.868 254 HA SER 32 HA SER 32 -9.688 -6.340 -8.053 255 1HB SER 32 1HB SER 32 -7.736 -7.893 -8.953 256 2HB SER 32 2HB SER 32 -8.546 -9.106 -7.966 257 HG SER 32 HG SER 32 -9.208 -8.521 -10.338 258 H GLN 33 H GLN 33 -10.982 -8.802 -7.777 259 HA GLN 33 HA GLN 33 -11.680 -8.733 -4.904 260 1HB GLN 33 1HB GLN 33 -13.370 -8.236 -6.911 261 2HB GLN 33 2HB GLN 33 -13.501 -9.995 -6.895 262 1HG GLN 33 1HG GLN 33 -15.114 -9.485 -5.322 263 2HG GLN 33 2HG GLN 33 -13.705 -9.592 -4.266 264 2HE2 GLN 33 2HE2 GLN 33 -12.666 -7.520 -3.620 265 1HE2 GLN 33 1HE2 GLN 33 -13.562 -6.079 -3.658 266 H LEU 34 H LEU 34 -10.806 -10.796 -7.597 267 HA LEU 34 HA LEU 34 -11.209 -13.243 -6.074 268 1HB LEU 34 1HB LEU 34 -10.143 -12.650 -8.821 269 2HB LEU 34 2HB LEU 34 -10.104 -14.256 -8.135 270 HG LEU 34 HG LEU 34 -12.343 -14.600 -8.475 271 1HD1 LEU 34 1HD1 LEU 34 -13.076 -12.795 -6.931 272 2HD1 LEU 34 2HD1 LEU 34 -12.846 -11.614 -8.220 273 3HD1 LEU 34 3HD1 LEU 34 -14.083 -12.862 -8.379 274 1HD2 LEU 34 1HD2 LEU 34 -11.254 -13.841 -10.633 275 2HD2 LEU 34 2HD2 LEU 34 -13.012 -13.689 -10.591 276 3HD2 LEU 34 3HD2 LEU 34 -11.998 -12.264 -10.365 277 H CYS 35 H CYS 35 -9.656 -11.994 -4.506 278 HA CYS 35 HA CYS 35 -6.937 -13.060 -4.989 279 1HB CYS 35 1HB CYS 35 -7.779 -10.396 -3.900 280 2HB CYS 35 2HB CYS 35 -6.230 -11.099 -3.439 281 H SER 36 H SER 36 -9.652 -13.391 -3.105 282 HA SER 36 HA SER 36 -10.067 -14.531 -1.179 283 1HB SER 36 1HB SER 36 -8.580 -16.128 -0.430 284 2HB SER 36 2HB SER 36 -7.993 -15.873 -2.066 285 HG SER 36 HG SER 36 -6.846 -15.271 0.366 286 H LYS 37 H LYS 37 -6.921 -12.916 -0.641 287 HA LYS 37 HA LYS 37 -8.191 -11.402 1.554 288 1HB LYS 37 1HB LYS 37 -6.889 -13.283 2.510 289 2HB LYS 37 2HB LYS 37 -5.455 -12.707 1.665 290 1HG LYS 37 1HG LYS 37 -5.213 -10.860 3.042 291 2HG LYS 37 2HG LYS 37 -6.935 -10.784 3.419 292 1HD LYS 37 1HD LYS 37 -6.226 -11.680 5.407 293 2HD LYS 37 2HD LYS 37 -6.358 -13.188 4.500 294 1HE LYS 37 1HE LYS 37 -3.865 -12.462 3.772 295 2HE LYS 37 2HE LYS 37 -3.930 -11.701 5.361 296 1HZ LYS 37 1HZ LYS 37 -4.730 -14.516 4.922 297 2HZ LYS 37 2HZ LYS 37 -3.129 -14.075 5.283 298 3HZ LYS 37 3HZ LYS 37 -4.373 -13.744 6.390 299 HA PRO 38 HA PRO 38 -5.580 -8.748 -1.285 300 1HB PRO 38 1HB PRO 38 -7.571 -7.260 -2.406 301 2HB PRO 38 2HB PRO 38 -6.990 -8.788 -3.078 302 1HG PRO 38 1HG PRO 38 -9.512 -8.205 -1.641 303 2HG PRO 38 2HG PRO 38 -9.163 -9.462 -2.834 304 1HD PRO 38 1HD PRO 38 -9.307 -9.803 -0.020 305 2HD PRO 38 2HD PRO 38 -8.698 -10.987 -1.201 306 H GLY 39 H GLY 39 -6.097 -6.158 -1.625 307 1HA GLY 39 1HA GLY 39 -5.587 -4.927 0.839 308 2HA GLY 39 2HA GLY 39 -7.306 -4.730 0.494 309 H VAL 40 H VAL 40 -4.348 -3.306 0.144 310 HA VAL 40 HA VAL 40 -4.738 -2.206 -2.517 311 HB VAL 40 HB VAL 40 -4.803 -0.316 -0.154 312 1HG1 VAL 40 1HG1 VAL 40 -3.893 0.193 -2.622 313 2HG1 VAL 40 2HG1 VAL 40 -5.616 0.422 -2.915 314 3HG1 VAL 40 3HG1 VAL 40 -4.795 1.382 -1.685 315 1HG2 VAL 40 1HG2 VAL 40 -7.018 -1.283 -1.981 316 2HG2 VAL 40 2HG2 VAL 40 -6.921 -1.506 -0.234 317 3HG2 VAL 40 3HG2 VAL 40 -7.158 0.108 -0.905 318 H ILE 41 H ILE 41 -2.866 -1.599 -3.407 319 HA ILE 41 HA ILE 41 -0.474 -1.755 -1.713 320 HB ILE 41 HB ILE 41 -1.055 -2.318 -4.573 321 1HG1 ILE 41 1HG1 ILE 41 -0.744 -4.053 -2.826 322 2HG1 ILE 41 2HG1 ILE 41 0.436 -4.192 -4.125 323 1HG2 ILE 41 1HG2 ILE 41 1.698 -1.393 -3.682 324 2HG2 ILE 41 2HG2 ILE 41 1.316 -2.116 -5.245 325 3HG2 ILE 41 3HG2 ILE 41 0.653 -0.541 -4.814 326 1HD1 ILE 41 1HD1 ILE 41 1.433 -2.433 -2.060 327 2HD1 ILE 41 2HD1 ILE 41 0.958 -3.982 -1.369 328 3HD1 ILE 41 3HD1 ILE 41 2.136 -3.926 -2.678 329 H PHE 42 H PHE 42 0.326 0.062 -0.989 330 HA PHE 42 HA PHE 42 -0.403 2.611 -2.154 331 1HB PHE 42 1HB PHE 42 0.980 1.672 0.300 332 2HB PHE 42 2HB PHE 42 1.516 3.230 -0.325 333 HD1 PHE 42 HD1 PHE 42 -1.387 1.327 0.958 334 HD2 PHE 42 HD2 PHE 42 0.080 5.162 -0.298 335 HE1 PHE 42 HE1 PHE 42 -3.398 2.411 1.922 336 HE2 PHE 42 HE2 PHE 42 -1.931 6.247 0.663 337 HZ PHE 42 HZ PHE 42 -3.668 4.872 1.778 338 H LEU 43 H LEU 43 0.785 3.795 -3.521 339 HA LEU 43 HA LEU 43 3.409 2.721 -4.341 340 1HB LEU 43 1HB LEU 43 1.673 4.742 -5.756 341 2HB LEU 43 2HB LEU 43 3.128 3.998 -6.381 342 HG LEU 43 HG LEU 43 0.490 2.618 -5.839 343 1HD1 LEU 43 1HD1 LEU 43 0.592 4.074 -7.861 344 2HD1 LEU 43 2HD1 LEU 43 1.994 3.158 -8.417 345 3HD1 LEU 43 3HD1 LEU 43 0.425 2.367 -8.271 346 1HD2 LEU 43 1HD2 LEU 43 3.248 1.624 -6.340 347 2HD2 LEU 43 2HD2 LEU 43 1.903 0.843 -5.508 348 3HD2 LEU 43 3HD2 LEU 43 1.964 0.850 -7.270 349 H THR 44 H THR 44 4.855 3.642 -2.927 350 HA THR 44 HA THR 44 4.673 6.312 -1.974 351 HB THR 44 HB THR 44 7.067 5.990 -1.350 352 HG1 THR 44 HG1 THR 44 7.397 4.584 -3.295 353 1HG2 THR 44 1HG2 THR 44 4.878 4.104 -0.687 354 2HG2 THR 44 2HG2 THR 44 6.498 3.617 -0.192 355 3HG2 THR 44 3HG2 THR 44 5.828 5.148 0.371 356 H LYS 45 H LYS 45 6.367 8.001 -2.459 357 HA LYS 45 HA LYS 45 6.216 8.792 -5.153 358 1HB LYS 45 1HB LYS 45 7.801 9.702 -2.788 359 2HB LYS 45 2HB LYS 45 8.257 10.292 -4.387 360 1HG LYS 45 1HG LYS 45 6.320 11.496 -4.651 361 2HG LYS 45 2HG LYS 45 5.357 10.347 -3.724 362 1HD LYS 45 1HD LYS 45 5.453 11.822 -2.017 363 2HD LYS 45 2HD LYS 45 7.146 11.366 -1.842 364 1HE LYS 45 1HE LYS 45 7.230 13.713 -2.070 365 2HE LYS 45 2HE LYS 45 7.596 13.129 -3.693 366 1HZ LYS 45 1HZ LYS 45 4.876 13.879 -2.774 367 2HZ LYS 45 2HZ LYS 45 5.911 14.923 -3.620 368 3HZ LYS 45 3HZ LYS 45 5.354 13.498 -4.359 369 H ARG 46 H ARG 46 9.028 7.576 -3.330 370 HA ARG 46 HA ARG 46 10.130 6.555 -5.877 371 1HB ARG 46 1HB ARG 46 11.270 8.661 -5.091 372 2HB ARG 46 2HB ARG 46 11.784 7.759 -3.664 373 1HG ARG 46 1HG ARG 46 13.144 6.305 -4.914 374 2HG ARG 46 2HG ARG 46 12.314 6.681 -6.425 375 1HD ARG 46 1HD ARG 46 13.440 8.681 -6.710 376 2HD ARG 46 2HD ARG 46 13.696 8.904 -4.982 377 HE ARG 46 HE ARG 46 15.698 7.763 -5.201 378 1HH1 ARG 46 1HH1 ARG 46 13.651 7.029 -7.944 379 2HH1 ARG 46 2HH1 ARG 46 14.879 6.126 -8.762 380 1HH2 ARG 46 1HH2 ARG 46 17.269 6.578 -6.302 381 2HH2 ARG 46 2HH2 ARG 46 16.910 5.872 -7.843 382 H GLY 47 H GLY 47 8.986 5.668 -2.901 383 1HA GLY 47 1HA GLY 47 9.396 3.934 -1.441 384 2HA GLY 47 2HA GLY 47 11.016 3.800 -2.115 385 H ARG 48 H ARG 48 8.052 2.328 -1.835 386 HA ARG 48 HA ARG 48 8.119 0.871 -4.359 387 1HB ARG 48 1HB ARG 48 9.273 -0.186 -1.865 388 2HB ARG 48 2HB ARG 48 8.119 -1.271 -2.631 389 1HG ARG 48 1HG ARG 48 9.349 -1.171 -4.732 390 2HG ARG 48 2HG ARG 48 10.451 0.034 -4.064 391 1HD ARG 48 1HD ARG 48 11.723 -1.833 -3.662 392 2HD ARG 48 2HD ARG 48 10.751 -1.863 -2.195 393 HE ARG 48 HE ARG 48 9.541 -3.313 -4.374 394 1HH1 ARG 48 1HH1 ARG 48 11.861 -3.491 -1.760 395 2HH1 ARG 48 2HH1 ARG 48 11.744 -5.212 -1.623 396 1HH2 ARG 48 1HH2 ARG 48 9.418 -5.555 -4.161 397 2HH2 ARG 48 2HH2 ARG 48 10.372 -6.372 -2.969 398 H GLN 49 H GLN 49 6.574 -1.262 -3.792 399 HA GLN 49 HA GLN 49 3.980 -0.073 -3.295 400 1HB GLN 49 1HB GLN 49 4.960 -2.781 -4.163 401 2HB GLN 49 2HB GLN 49 3.290 -2.560 -3.653 402 1HG GLN 49 1HG GLN 49 3.174 -2.170 -5.965 403 2HG GLN 49 2HG GLN 49 3.311 -0.540 -5.307 404 2HE2 GLN 49 2HE2 GLN 49 5.455 0.519 -5.440 405 1HE2 GLN 49 1HE2 GLN 49 6.601 -0.016 -6.572 406 H VAL 50 H VAL 50 2.503 -0.799 -1.666 407 HA VAL 50 HA VAL 50 3.674 -2.357 0.553 408 HB VAL 50 HB VAL 50 2.284 0.294 0.918 409 1HG1 VAL 50 1HG1 VAL 50 3.331 -1.827 2.757 410 2HG1 VAL 50 2HG1 VAL 50 3.479 -0.145 3.261 411 3HG1 VAL 50 3HG1 VAL 50 1.889 -0.824 2.913 412 1HG2 VAL 50 1HG2 VAL 50 5.212 -0.471 1.119 413 2HG2 VAL 50 2HG2 VAL 50 4.496 0.652 -0.037 414 3HG2 VAL 50 3HG2 VAL 50 4.547 1.065 1.677 415 H CYS 51 H CYS 51 2.294 -3.955 1.004 416 HA CYS 51 HA CYS 51 -0.457 -3.922 0.191 417 1HB CYS 51 1HB CYS 51 1.124 -5.760 2.000 418 2HB CYS 51 2HB CYS 51 -0.591 -5.994 1.668 419 H ALA 52 H ALA 52 -1.555 -2.228 1.118 420 HA ALA 52 HA ALA 52 -1.466 -1.982 4.053 421 1HB ALA 52 1HB ALA 52 -1.102 0.009 2.432 422 2HB ALA 52 2HB ALA 52 -2.161 0.235 3.823 423 3HB ALA 52 3HB ALA 52 -2.853 -0.047 2.225 424 H ASP 53 H ASP 53 -3.155 -2.391 5.308 425 HA ASP 53 HA ASP 53 -5.644 -3.318 4.023 426 1HB ASP 53 1HB ASP 53 -4.197 -4.046 6.520 427 2HB ASP 53 2HB ASP 53 -5.959 -4.067 6.588 428 H LYS 54 H LYS 54 -7.419 -2.108 4.186 429 HA LYS 54 HA LYS 54 -7.445 0.460 5.297 430 1HB LYS 54 1HB LYS 54 -9.045 -0.412 3.567 431 2HB LYS 54 2HB LYS 54 -9.877 -1.286 4.853 432 1HG LYS 54 1HG LYS 54 -11.015 0.832 4.501 433 2HG LYS 54 2HG LYS 54 -10.185 0.894 6.056 434 1HD LYS 54 1HD LYS 54 -8.622 2.417 5.319 435 2HD LYS 54 2HD LYS 54 -8.667 1.818 3.661 436 1HE LYS 54 1HE LYS 54 -10.868 3.426 4.991 437 2HE LYS 54 2HE LYS 54 -9.687 4.073 3.851 438 1HZ LYS 54 1HZ LYS 54 -10.538 2.133 2.373 439 2HZ LYS 54 2HZ LYS 54 -11.911 2.216 3.371 440 3HZ LYS 54 3HZ LYS 54 -11.427 3.573 2.473 441 H SER 55 H SER 55 -7.959 -2.624 6.809 442 HA SER 55 HA SER 55 -9.556 -1.923 8.994 443 1HB SER 55 1HB SER 55 -7.622 -4.067 8.391 444 2HB SER 55 2HB SER 55 -7.890 -3.759 10.103 445 HG SER 55 HG SER 55 -9.878 -4.461 9.915 446 H LYS 56 H LYS 56 -6.167 -1.339 8.359 447 HA LYS 56 HA LYS 56 -5.358 -0.682 10.996 448 1HB LYS 56 1HB LYS 56 -4.296 -0.031 8.260 449 2HB LYS 56 2HB LYS 56 -3.592 0.715 9.695 450 1HG LYS 56 1HG LYS 56 -2.346 -1.309 9.190 451 2HG LYS 56 2HG LYS 56 -3.279 -1.578 10.663 452 1HD LYS 56 1HD LYS 56 -4.949 -2.831 9.480 453 2HD LYS 56 2HD LYS 56 -4.278 -2.365 7.916 454 1HE LYS 56 1HE LYS 56 -3.518 -4.602 8.346 455 2HE LYS 56 2HE LYS 56 -2.135 -3.540 8.613 456 1HZ LYS 56 1HZ LYS 56 -3.948 -4.534 10.745 457 2HZ LYS 56 2HZ LYS 56 -2.424 -5.188 10.388 458 3HZ LYS 56 3HZ LYS 56 -2.549 -3.596 10.966 459 H ASP 57 H ASP 57 -4.388 1.725 11.222 460 HA ASP 57 HA ASP 57 -6.715 3.517 10.864 461 1HB ASP 57 1HB ASP 57 -5.856 2.918 13.225 462 2HB ASP 57 2HB ASP 57 -4.490 3.967 12.842 463 H TRP 58 H TRP 58 -3.210 3.257 10.583 464 HA TRP 58 HA TRP 58 -2.866 5.959 9.678 465 1HB TRP 58 1HB TRP 58 -0.570 5.250 9.079 466 2HB TRP 58 2HB TRP 58 -0.993 4.849 10.739 467 HD1 TRP 58 HD1 TRP 58 -1.339 2.290 11.348 468 HE1 TRP 58 HE1 TRP 58 -0.574 0.128 10.176 469 HE3 TRP 58 HE3 TRP 58 -0.175 4.149 6.742 470 HZ2 TRP 58 HZ2 TRP 58 0.410 -0.708 7.610 471 HZ3 TRP 58 HZ3 TRP 58 0.679 2.659 4.960 472 HH2 TRP 58 HH2 TRP 58 0.968 0.237 5.386 473 H VAL 59 H VAL 59 -3.624 2.918 8.166 474 HA VAL 59 HA VAL 59 -2.907 3.692 5.498 475 HB VAL 59 HB VAL 59 -4.918 1.599 6.359 476 1HG1 VAL 59 1HG1 VAL 59 -4.973 2.238 3.964 477 2HG1 VAL 59 2HG1 VAL 59 -3.244 1.914 3.847 478 3HG1 VAL 59 3HG1 VAL 59 -4.367 0.596 4.178 479 1HG2 VAL 59 1HG2 VAL 59 -2.725 1.256 7.446 480 2HG2 VAL 59 2HG2 VAL 59 -3.022 0.025 6.219 481 3HG2 VAL 59 3HG2 VAL 59 -1.931 1.368 5.876 482 H LYS 60 H LYS 60 -5.764 3.914 7.518 483 HA LYS 60 HA LYS 60 -7.604 4.686 5.497 484 1HB LYS 60 1HB LYS 60 -8.086 3.919 7.919 485 2HB LYS 60 2HB LYS 60 -7.773 5.597 8.363 486 1HG LYS 60 1HG LYS 60 -9.547 6.389 6.946 487 2HG LYS 60 2HG LYS 60 -9.749 4.797 6.213 488 1HD LYS 60 1HD LYS 60 -10.683 3.879 8.182 489 2HD LYS 60 2HD LYS 60 -10.100 5.211 9.180 490 1HE LYS 60 1HE LYS 60 -12.339 5.796 8.927 491 2HE LYS 60 2HE LYS 60 -11.608 6.670 7.582 492 1HZ LYS 60 1HZ LYS 60 -12.066 4.511 6.291 493 2HZ LYS 60 2HZ LYS 60 -13.162 4.168 7.538 494 3HZ LYS 60 3HZ LYS 60 -13.360 5.567 6.596 495 H LYS 61 H LYS 61 -5.482 6.494 7.678 496 HA LYS 61 HA LYS 61 -6.364 9.089 7.008 497 1HB LYS 61 1HB LYS 61 -3.766 8.012 8.084 498 2HB LYS 61 2HB LYS 61 -3.958 9.725 7.710 499 1HG LYS 61 1HG LYS 61 -6.047 9.692 9.155 500 2HG LYS 61 2HG LYS 61 -5.563 8.078 9.678 501 1HD LYS 61 1HD LYS 61 -4.606 9.439 11.327 502 2HD LYS 61 2HD LYS 61 -3.266 9.213 10.203 503 1HE LYS 61 1HE LYS 61 -3.256 11.534 10.539 504 2HE LYS 61 2HE LYS 61 -4.190 11.369 9.053 505 1HZ LYS 61 1HZ LYS 61 -5.562 11.312 11.654 506 2HZ LYS 61 2HZ LYS 61 -5.104 12.801 10.983 507 3HZ LYS 61 3HZ LYS 61 -6.160 11.776 10.133 508 H LEU 62 H LEU 62 -3.809 7.046 5.627 509 HA LEU 62 HA LEU 62 -2.794 8.908 3.768 510 1HB LEU 62 1HB LEU 62 -2.988 5.911 3.511 511 2HB LEU 62 2HB LEU 62 -1.997 6.952 2.515 512 HG LEU 62 HG LEU 62 -1.624 6.837 5.499 513 1HD1 LEU 62 1HD1 LEU 62 -0.886 4.859 3.396 514 2HD1 LEU 62 2HD1 LEU 62 0.349 5.250 4.593 515 3HD1 LEU 62 3HD1 LEU 62 -1.208 4.610 5.111 516 1HD2 LEU 62 1HD2 LEU 62 -0.188 7.899 3.109 517 2HD2 LEU 62 2HD2 LEU 62 -0.305 8.568 4.737 518 3HD2 LEU 62 3HD2 LEU 62 0.804 7.237 4.409 519 H MET 63 H MET 63 -5.329 6.466 3.507 520 HA MET 63 HA MET 63 -6.023 6.683 0.834 521 1HB MET 63 1HB MET 63 -7.685 6.146 3.288 522 2HB MET 63 2HB MET 63 -8.400 6.162 1.676 523 1HG MET 63 1HG MET 63 -6.275 4.591 1.172 524 2HG MET 63 2HG MET 63 -6.484 4.226 2.883 525 1HE MET 63 1HE MET 63 -6.948 3.469 -0.338 526 2HE MET 63 2HE MET 63 -7.145 1.856 0.338 527 3HE MET 63 3HE MET 63 -8.443 2.567 -0.617 528 H GLN 64 H GLN 64 -6.911 8.772 3.526 529 HA GLN 64 HA GLN 64 -8.649 10.421 1.877 530 1HB GLN 64 1HB GLN 64 -8.867 9.943 4.435 531 2HB GLN 64 2HB GLN 64 -7.656 11.216 4.599 532 1HG GLN 64 1HG GLN 64 -9.094 12.754 3.312 533 2HG GLN 64 2HG GLN 64 -10.310 11.484 3.154 534 2HE2 GLN 64 2HE2 GLN 64 -8.339 12.742 5.915 535 1HE2 GLN 64 1HE2 GLN 64 -9.665 12.927 6.957 536 H GLN 65 H GLN 65 -5.367 10.442 3.096 537 HA GLN 65 HA GLN 65 -4.803 13.179 2.503 538 1HB GLN 65 1HB GLN 65 -3.182 10.767 3.201 539 2HB GLN 65 2HB GLN 65 -2.362 12.172 2.523 540 1HG GLN 65 1HG GLN 65 -3.942 13.394 4.359 541 2HG GLN 65 2HG GLN 65 -3.688 11.843 5.158 542 2HE2 GLN 65 2HE2 GLN 65 -1.453 11.237 5.698 543 1HE2 GLN 65 1HE2 GLN 65 -0.226 12.410 5.753 544 H LEU 66 H LEU 66 -4.508 10.144 0.740 545 HA LEU 66 HA LEU 66 -3.581 11.659 -1.629 546 1HB LEU 66 1HB LEU 66 -3.379 8.683 -1.299 547 2HB LEU 66 2HB LEU 66 -2.521 9.714 -2.423 548 HG LEU 66 HG LEU 66 -2.086 9.787 0.568 549 1HD1 LEU 66 1HD1 LEU 66 -1.537 7.588 -0.767 550 2HD1 LEU 66 2HD1 LEU 66 -0.187 8.534 -1.392 551 3HD1 LEU 66 3HD1 LEU 66 -0.340 8.255 0.342 552 1HD2 LEU 66 1HD2 LEU 66 -0.968 11.172 -1.819 553 2HD2 LEU 66 2HD2 LEU 66 -1.146 11.753 -0.162 554 3HD2 LEU 66 3HD2 LEU 66 0.189 10.680 -0.583 555 HA PRO 67 HA PRO 67 -7.422 10.534 -3.485 556 1HB PRO 67 1HB PRO 67 -6.761 10.704 -6.138 557 2HB PRO 67 2HB PRO 67 -7.014 12.110 -5.091 558 1HG PRO 67 1HG PRO 67 -4.482 10.970 -6.134 559 2HG PRO 67 2HG PRO 67 -4.865 12.636 -5.678 560 1HD PRO 67 1HD PRO 67 -3.399 10.788 -4.124 561 2HD PRO 67 2HD PRO 67 -4.077 12.330 -3.554 562 H VAL 68 H VAL 68 -5.339 9.169 -6.019 563 HA VAL 68 HA VAL 68 -5.223 6.526 -5.195 564 HB VAL 68 HB VAL 68 -7.879 7.113 -5.631 565 1HG1 VAL 68 1HG1 VAL 68 -7.444 7.332 -8.108 566 2HG1 VAL 68 2HG1 VAL 68 -7.003 5.625 -8.116 567 3HG1 VAL 68 3HG1 VAL 68 -8.641 6.110 -7.675 568 1HG2 VAL 68 1HG2 VAL 68 -6.877 5.152 -4.485 569 2HG2 VAL 68 2HG2 VAL 68 -8.216 4.707 -5.542 570 3HG2 VAL 68 3HG2 VAL 68 -6.553 4.427 -6.059 571 H THR 69 H THR 69 -4.925 5.001 -7.166 572 HA THR 69 HA THR 69 -4.034 6.375 -9.579 573 HB THR 69 HB THR 69 -2.041 6.544 -8.186 574 HG1 THR 69 HG1 THR 69 -0.699 5.638 -9.634 575 1HG2 THR 69 1HG2 THR 69 -2.926 4.053 -7.170 576 2HG2 THR 69 2HG2 THR 69 -1.376 3.748 -7.954 577 3HG2 THR 69 3HG2 THR 69 -1.497 4.963 -6.682 578 H ALA 70 H ALA 70 -3.392 4.855 -11.277 579 HA ALA 70 HA ALA 70 -3.864 2.043 -10.964 580 1HB ALA 70 1HB ALA 70 -5.919 1.773 -12.037 581 2HB ALA 70 2HB ALA 70 -6.208 3.193 -11.032 582 3HB ALA 70 3HB ALA 70 -5.869 3.385 -12.752 583 H ARG 71 H ARG 71 -1.843 3.832 -12.018 584 HA ARG 71 HA ARG 71 -1.674 2.711 -14.737 585 1HB ARG 71 1HB ARG 71 -1.220 5.605 -13.983 586 2HB ARG 71 2HB ARG 71 -0.661 4.894 -15.497 587 1HG ARG 71 1HG ARG 71 -2.952 4.295 -16.103 588 2HG ARG 71 2HG ARG 71 -3.544 4.902 -14.556 589 1HD ARG 71 1HD ARG 71 -2.694 7.159 -15.144 590 2HD ARG 71 2HD ARG 71 -2.181 6.541 -16.710 591 HE ARG 71 HE ARG 71 -4.388 6.642 -17.412 592 1HH1 ARG 71 1HH1 ARG 71 -4.266 6.819 -13.919 593 2HH1 ARG 71 2HH1 ARG 71 -5.955 7.162 -13.764 594 1HH2 ARG 71 1HH2 ARG 71 -6.585 7.091 -17.165 595 2HH2 ARG 71 2HH2 ARG 71 -7.258 7.315 -15.586 No H/Q in entry = 595 Start of MODEL 19 1 H1 LEU 1 H1 LEU 1 18.979 -4.101 8.025 2 H2 LEU 1 H2 LEU 1 18.757 -2.732 7.045 3 H3 LEU 1 H3 LEU 1 18.017 -2.811 8.568 4 HA LEU 1 HA LEU 1 16.521 -4.482 7.888 5 1HB LEU 1 1HB LEU 1 16.900 -2.130 6.085 6 2HB LEU 1 2HB LEU 1 15.744 -3.366 5.585 7 HG LEU 1 HG LEU 1 15.719 -2.158 8.357 8 1HD1 LEU 1 1HD1 LEU 1 14.454 -1.206 5.793 9 2HD1 LEU 1 2HD1 LEU 1 13.687 -0.885 7.349 10 3HD1 LEU 1 3HD1 LEU 1 15.304 -0.264 7.018 11 1HD2 LEU 1 1HD2 LEU 1 13.934 -3.930 6.711 12 2HD2 LEU 1 2HD2 LEU 1 14.436 -4.112 8.392 13 3HD2 LEU 1 3HD2 LEU 1 13.225 -2.906 7.959 14 H GLY 2 H GLY 2 15.877 -6.091 6.398 15 1HA GLY 2 1HA GLY 2 16.373 -7.947 5.105 16 2HA GLY 2 2HA GLY 2 18.055 -7.422 5.080 17 H ALA 3 H ALA 3 16.990 -8.488 2.816 18 HA ALA 3 HA ALA 3 15.976 -6.409 1.070 19 1HB ALA 3 1HB ALA 3 18.746 -7.525 0.570 20 2HB ALA 3 2HB ALA 3 18.413 -5.898 1.162 21 3HB ALA 3 3HB ALA 3 17.874 -6.378 -0.447 22 H SER 4 H SER 4 14.320 -7.825 0.584 23 HA SER 4 HA SER 4 15.017 -10.447 -0.546 24 1HB SER 4 1HB SER 4 12.342 -9.239 0.189 25 2HB SER 4 2HB SER 4 12.561 -10.846 -0.497 26 HG SER 4 HG SER 4 13.787 -9.909 1.888 27 H TRP 5 H TRP 5 13.637 -7.337 -1.394 28 HA TRP 5 HA TRP 5 13.146 -6.369 -3.421 29 1HB TRP 5 1HB TRP 5 15.158 -8.458 -4.153 30 2HB TRP 5 2HB TRP 5 14.279 -7.642 -5.446 31 HD1 TRP 5 HD1 TRP 5 16.553 -6.861 -2.444 32 HE1 TRP 5 HE1 TRP 5 17.708 -4.595 -2.867 33 HE3 TRP 5 HE3 TRP 5 14.213 -5.470 -6.764 34 HZ2 TRP 5 HZ2 TRP 5 17.647 -2.473 -4.785 35 HZ3 TRP 5 HZ3 TRP 5 14.779 -3.324 -7.866 36 HH2 TRP 5 HH2 TRP 5 16.492 -1.825 -6.883 37 H HIS 6 H HIS 6 12.068 -6.784 -5.562 38 HA HIS 6 HA HIS 6 10.287 -7.629 -6.746 39 1HB HIS 6 1HB HIS 6 11.248 -10.232 -5.531 40 2HB HIS 6 2HB HIS 6 10.040 -10.104 -6.811 41 HD1 HIS 6 HD1 HIS 6 11.732 -11.404 -8.395 42 HD2 HIS 6 HD2 HIS 6 13.048 -7.659 -7.123 43 HE1 HIS 6 HE1 HIS 6 13.678 -10.781 -9.893 44 H ARG 7 H ARG 7 8.827 -6.440 -5.419 45 HA ARG 7 HA ARG 7 7.536 -7.894 -3.222 46 1HB ARG 7 1HB ARG 7 7.606 -5.050 -4.127 47 2HB ARG 7 2HB ARG 7 6.179 -5.607 -3.252 48 1HG ARG 7 1HG ARG 7 7.722 -4.775 -1.606 49 2HG ARG 7 2HG ARG 7 7.747 -6.535 -1.490 50 1HD ARG 7 1HD ARG 7 9.765 -6.604 -2.901 51 2HD ARG 7 2HD ARG 7 9.741 -4.848 -3.028 52 HE ARG 7 HE ARG 7 10.672 -4.738 -0.908 53 1HH1 ARG 7 1HH1 ARG 7 9.336 -7.931 -1.427 54 2HH1 ARG 7 2HH1 ARG 7 9.987 -8.566 0.043 55 1HH2 ARG 7 1HH2 ARG 7 11.503 -5.607 1.000 56 2HH2 ARG 7 2HH2 ARG 7 11.203 -7.263 1.407 57 HA PRO 8 HA PRO 8 4.101 -8.982 -5.795 58 1HB PRO 8 1HB PRO 8 2.229 -9.472 -3.867 59 2HB PRO 8 2HB PRO 8 3.590 -10.550 -4.211 60 1HG PRO 8 1HG PRO 8 3.168 -8.736 -1.915 61 2HG PRO 8 2HG PRO 8 4.152 -10.203 -2.028 62 1HD PRO 8 1HD PRO 8 5.085 -7.513 -2.132 63 2HD PRO 8 2HD PRO 8 6.033 -8.984 -2.453 64 H ASP 9 H ASP 9 2.892 -7.644 -7.004 65 HA ASP 9 HA ASP 9 1.745 -5.225 -5.826 66 1HB ASP 9 1HB ASP 9 1.706 -6.139 -8.712 67 2HB ASP 9 2HB ASP 9 1.317 -4.529 -8.107 68 H LYS 10 H LYS 10 0.760 -8.254 -7.305 69 HA LYS 10 HA LYS 10 -2.027 -7.624 -7.469 70 1HB LYS 10 1HB LYS 10 -0.740 -10.364 -7.333 71 2HB LYS 10 2HB LYS 10 -2.345 -9.978 -7.956 72 1HG LYS 10 1HG LYS 10 0.244 -8.902 -9.111 73 2HG LYS 10 2HG LYS 10 -0.656 -10.266 -9.772 74 1HD LYS 10 1HD LYS 10 -2.662 -8.735 -9.959 75 2HD LYS 10 2HD LYS 10 -1.595 -7.395 -9.536 76 1HE LYS 10 1HE LYS 10 -0.103 -8.377 -11.485 77 2HE LYS 10 2HE LYS 10 -1.631 -9.077 -12.019 78 1HZ LYS 10 1HZ LYS 10 -2.587 -6.794 -11.812 79 2HZ LYS 10 2HZ LYS 10 -1.007 -6.212 -11.582 80 3HZ LYS 10 3HZ LYS 10 -1.432 -6.971 -13.042 81 H CYS 11 H CYS 11 -3.315 -9.764 -6.271 82 HA CYS 11 HA CYS 11 -3.774 -8.863 -3.672 83 1HB CYS 11 1HB CYS 11 -4.220 -11.673 -4.704 84 2HB CYS 11 2HB CYS 11 -5.019 -10.923 -3.324 85 H CYS 12 H CYS 12 -2.675 -9.031 -1.850 86 HA CYS 12 HA CYS 12 -0.612 -11.143 -1.626 87 1HB CYS 12 1HB CYS 12 0.555 -9.582 -0.059 88 2HB CYS 12 2HB CYS 12 0.442 -8.963 -1.706 89 H LEU 13 H LEU 13 -0.119 -11.780 0.637 90 HA LEU 13 HA LEU 13 -2.634 -12.061 2.146 91 1HB LEU 13 1HB LEU 13 -0.060 -13.617 2.151 92 2HB LEU 13 2HB LEU 13 -1.276 -13.820 3.393 93 HG LEU 13 HG LEU 13 -2.906 -14.457 1.591 94 1HD1 LEU 13 1HD1 LEU 13 -0.459 -13.933 -0.043 95 2HD1 LEU 13 2HD1 LEU 13 -1.498 -15.274 -0.527 96 3HD1 LEU 13 3HD1 LEU 13 -2.153 -13.638 -0.435 97 1HD2 LEU 13 1HD2 LEU 13 -0.353 -16.088 1.797 98 2HD2 LEU 13 2HD2 LEU 13 -1.719 -16.162 2.909 99 3HD2 LEU 13 3HD2 LEU 13 -1.909 -16.704 1.242 100 H GLY 14 H GLY 14 0.700 -10.984 2.412 101 1HA GLY 14 1HA GLY 14 1.843 -10.173 4.320 102 2HA GLY 14 2HA GLY 14 0.333 -10.242 5.226 103 H TYR 15 H TYR 15 1.356 -8.027 5.789 104 HA TYR 15 HA TYR 15 0.778 -5.969 3.783 105 1HB TYR 15 1HB TYR 15 -0.599 -6.140 6.472 106 2HB TYR 15 2HB TYR 15 -0.574 -4.687 5.472 107 HD1 TYR 15 HD1 TYR 15 -1.717 -8.208 5.652 108 HD2 TYR 15 HD2 TYR 15 -1.897 -4.514 3.469 109 HE1 TYR 15 HE1 TYR 15 -3.609 -9.091 4.313 110 HE2 TYR 15 HE2 TYR 15 -3.787 -5.396 2.130 111 HH TYR 15 HH TYR 15 -5.656 -7.786 2.942 112 H GLN 16 H GLN 16 1.137 -3.720 4.995 113 HA GLN 16 HA GLN 16 3.882 -3.591 5.617 114 1HB GLN 16 1HB GLN 16 2.537 -1.673 4.742 115 2HB GLN 16 2HB GLN 16 1.753 -1.555 6.312 116 1HG GLN 16 1HG GLN 16 3.607 0.054 6.146 117 2HG GLN 16 2HG GLN 16 3.946 -1.158 7.380 118 2HE2 GLN 16 2HE2 GLN 16 6.282 -0.454 6.922 119 1HE2 GLN 16 1HE2 GLN 16 7.094 -1.214 5.642 120 H LYS 17 H LYS 17 1.021 -3.343 7.699 121 HA LYS 17 HA LYS 17 0.740 -3.649 9.960 122 1HB LYS 17 1HB LYS 17 2.080 -5.804 9.255 123 2HB LYS 17 2HB LYS 17 3.383 -5.038 10.164 124 1HG LYS 17 1HG LYS 17 1.640 -4.719 12.040 125 2HG LYS 17 2HG LYS 17 0.664 -5.892 11.155 126 1HD LYS 17 1HD LYS 17 2.410 -7.562 11.319 127 2HD LYS 17 2HD LYS 17 3.523 -6.390 12.026 128 1HE LYS 17 1HE LYS 17 2.502 -6.455 14.085 129 2HE LYS 17 2HE LYS 17 0.906 -6.763 13.401 130 1HZ LYS 17 1HZ LYS 17 3.126 -8.732 13.524 131 2HZ LYS 17 2HZ LYS 17 1.787 -8.696 14.571 132 3HZ LYS 17 3HZ LYS 17 1.568 -9.022 12.918 133 H ARG 18 H ARG 18 2.554 -1.444 8.770 134 HA ARG 18 HA ARG 18 3.419 -0.408 11.347 135 1HB ARG 18 1HB ARG 18 5.312 -0.861 9.032 136 2HB ARG 18 2HB ARG 18 5.655 0.253 10.354 137 1HG ARG 18 1HG ARG 18 5.037 -2.694 10.709 138 2HG ARG 18 2HG ARG 18 6.658 -2.003 10.716 139 1HD ARG 18 1HD ARG 18 5.748 -0.432 12.567 140 2HD ARG 18 2HD ARG 18 4.434 -1.594 12.706 141 HE ARG 18 HE ARG 18 6.825 -3.041 12.807 142 1HH1 ARG 18 1HH1 ARG 18 5.175 -0.587 14.680 143 2HH1 ARG 18 2HH1 ARG 18 5.871 -1.100 16.178 144 1HH2 ARG 18 1HH2 ARG 18 7.710 -3.678 14.782 145 2HH2 ARG 18 2HH2 ARG 18 7.294 -2.835 16.237 146 HA PRO 19 HA PRO 19 1.913 3.156 9.128 147 1HB PRO 19 1HB PRO 19 2.317 5.027 11.073 148 2HB PRO 19 2HB PRO 19 0.997 3.848 11.096 149 1HG PRO 19 1HG PRO 19 3.434 3.954 12.749 150 2HG PRO 19 2HG PRO 19 1.897 3.138 13.060 151 1HD PRO 19 1HD PRO 19 4.337 1.950 12.130 152 2HD PRO 19 2HD PRO 19 2.760 1.156 12.352 153 H LEU 20 H LEU 20 2.928 4.170 7.528 154 HA LEU 20 HA LEU 20 5.660 5.205 7.981 155 1HB LEU 20 1HB LEU 20 4.650 5.173 5.220 156 2HB LEU 20 2HB LEU 20 6.202 4.678 5.855 157 HG LEU 20 HG LEU 20 3.659 3.036 5.817 158 1HD1 LEU 20 1HD1 LEU 20 6.237 3.029 4.252 159 2HD1 LEU 20 2HD1 LEU 20 5.263 1.566 4.404 160 3HD1 LEU 20 3HD1 LEU 20 4.581 3.005 3.646 161 1HD2 LEU 20 1HD2 LEU 20 5.441 2.845 7.790 162 2HD2 LEU 20 2HD2 LEU 20 4.728 1.406 7.066 163 3HD2 LEU 20 3HD2 LEU 20 6.335 1.934 6.574 164 HA PRO 21 HA PRO 21 4.126 9.310 7.378 165 1HB PRO 21 1HB PRO 21 6.319 10.565 6.330 166 2HB PRO 21 2HB PRO 21 6.195 10.050 8.021 167 1HG PRO 21 1HG PRO 21 7.787 8.880 5.821 168 2HG PRO 21 2HG PRO 21 8.051 8.803 7.569 169 1HD PRO 21 1HD PRO 21 6.936 6.761 5.919 170 2HD PRO 21 2HD PRO 21 7.024 6.769 7.696 171 H GLN 22 H GLN 22 2.958 10.436 5.895 172 HA GLN 22 HA GLN 22 2.761 9.501 3.203 173 1HB GLN 22 1HB GLN 22 0.870 10.499 4.506 174 2HB GLN 22 2HB GLN 22 1.656 12.070 4.356 175 1HG GLN 22 1HG GLN 22 1.345 10.567 1.821 176 2HG GLN 22 2HG GLN 22 -0.158 11.115 2.562 177 2HE2 GLN 22 2HE2 GLN 22 -0.289 12.637 0.653 178 1HE2 GLN 22 1HE2 GLN 22 0.588 14.089 0.707 179 H VAL 23 H VAL 23 4.962 11.623 4.677 180 HA VAL 23 HA VAL 23 5.343 13.669 2.875 181 HB VAL 23 HB VAL 23 6.516 13.463 5.040 182 1HG1 VAL 23 1HG1 VAL 23 7.047 10.959 4.554 183 2HG1 VAL 23 2HG1 VAL 23 8.460 11.587 3.711 184 3HG1 VAL 23 3HG1 VAL 23 8.238 11.918 5.429 185 1HG2 VAL 23 1HG2 VAL 23 7.380 14.775 2.918 186 2HG2 VAL 23 2HG2 VAL 23 8.391 14.643 4.357 187 3HG2 VAL 23 3HG2 VAL 23 8.681 13.586 2.975 188 H LEU 24 H LEU 24 6.643 10.387 2.722 189 HA LEU 24 HA LEU 24 7.866 10.955 0.126 190 1HB LEU 24 1HB LEU 24 9.257 9.233 0.536 191 2HB LEU 24 2HB LEU 24 8.736 9.439 2.188 192 HG LEU 24 HG LEU 24 7.579 7.420 0.243 193 1HD1 LEU 24 1HD1 LEU 24 10.010 7.137 1.036 194 2HD1 LEU 24 2HD1 LEU 24 9.319 6.844 2.633 195 3HD1 LEU 24 3HD1 LEU 24 8.912 5.779 1.288 196 1HD2 LEU 24 1HD2 LEU 24 6.675 8.427 2.797 197 2HD2 LEU 24 2HD2 LEU 24 5.916 7.227 1.756 198 3HD2 LEU 24 3HD2 LEU 24 7.104 6.726 2.957 199 H LEU 25 H LEU 25 5.190 9.245 1.559 200 HA LEU 25 HA LEU 25 4.511 7.566 -0.568 201 1HB LEU 25 1HB LEU 25 3.522 7.907 1.890 202 2HB LEU 25 2HB LEU 25 2.311 8.778 0.982 203 HG LEU 25 HG LEU 25 1.753 6.798 -0.289 204 1HD1 LEU 25 1HD1 LEU 25 4.271 5.784 0.963 205 2HD1 LEU 25 2HD1 LEU 25 2.978 4.624 0.660 206 3HD1 LEU 25 3HD1 LEU 25 3.661 5.551 -0.676 207 1HD2 LEU 25 1HD2 LEU 25 1.845 6.709 2.687 208 2HD2 LEU 25 2HD2 LEU 25 0.455 6.663 1.604 209 3HD2 LEU 25 3HD2 LEU 25 1.420 5.211 1.861 210 H SER 26 H SER 26 3.027 7.706 -2.218 211 HA SER 26 HA SER 26 2.441 10.470 -3.112 212 1HB SER 26 1HB SER 26 2.372 8.274 -5.100 213 2HB SER 26 2HB SER 26 2.976 9.920 -5.255 214 HG SER 26 HG SER 26 4.511 8.010 -5.147 215 H SER 27 H SER 27 1.206 7.211 -3.900 216 HA SER 27 HA SER 27 -1.484 7.995 -3.066 217 1HB SER 27 1HB SER 27 -2.516 7.619 -5.195 218 2HB SER 27 2HB SER 27 -1.198 8.756 -5.460 219 HG SER 27 HG SER 27 -0.608 7.330 -6.896 220 H TRP 28 H TRP 28 -2.947 5.995 -4.132 221 HA TRP 28 HA TRP 28 -1.593 3.445 -3.616 222 1HB TRP 28 1HB TRP 28 -3.429 2.760 -2.046 223 2HB TRP 28 2HB TRP 28 -2.384 4.024 -1.401 224 HD1 TRP 28 HD1 TRP 28 -3.364 6.508 -1.295 225 HE1 TRP 28 HE1 TRP 28 -5.783 7.397 -1.263 226 HE3 TRP 28 HE3 TRP 28 -5.847 2.339 -2.890 227 HZ2 TRP 28 HZ2 TRP 28 -8.426 6.455 -1.858 228 HZ3 TRP 28 HZ3 TRP 28 -8.309 2.364 -3.148 229 HH2 TRP 28 HH2 TRP 28 -9.602 4.413 -2.630 230 H TYR 29 H TYR 29 -2.556 1.707 -4.661 231 HA TYR 29 HA TYR 29 -4.969 2.363 -6.236 232 1HB TYR 29 1HB TYR 29 -4.142 1.268 -8.141 233 2HB TYR 29 2HB TYR 29 -2.759 2.168 -7.540 234 HD1 TYR 29 HD1 TYR 29 -0.931 0.960 -6.282 235 HD2 TYR 29 HD2 TYR 29 -4.159 -1.119 -8.211 236 HE1 TYR 29 HE1 TYR 29 0.364 -1.152 -6.183 237 HE2 TYR 29 HE2 TYR 29 -2.859 -3.230 -8.112 238 HH TYR 29 HH TYR 29 -0.591 -3.980 -7.901 239 HA PRO 30 HA PRO 30 -6.580 -1.250 -4.203 240 1HB PRO 30 1HB PRO 30 -8.946 -1.439 -5.553 241 2HB PRO 30 2HB PRO 30 -8.623 -0.228 -4.304 242 1HG PRO 30 1HG PRO 30 -8.812 0.105 -7.235 243 2HG PRO 30 2HG PRO 30 -9.065 1.291 -5.947 244 1HD PRO 30 1HD PRO 30 -6.743 1.009 -7.577 245 2HD PRO 30 2HD PRO 30 -6.933 2.067 -6.160 246 H THR 31 H THR 31 -6.958 -3.473 -4.528 247 HA THR 31 HA THR 31 -6.151 -4.481 -7.187 248 HB THR 31 HB THR 31 -4.629 -5.174 -5.427 249 HG1 THR 31 HG1 THR 31 -4.889 -6.789 -6.844 250 1HG2 THR 31 1HG2 THR 31 -7.173 -5.645 -3.991 251 2HG2 THR 31 2HG2 THR 31 -5.919 -6.857 -3.731 252 3HG2 THR 31 3HG2 THR 31 -5.597 -5.164 -3.365 253 H SER 32 H SER 32 -7.019 -6.847 -7.463 254 HA SER 32 HA SER 32 -9.844 -6.649 -7.762 255 1HB SER 32 1HB SER 32 -8.012 -8.154 -8.993 256 2HB SER 32 2HB SER 32 -8.541 -9.328 -7.792 257 HG SER 32 HG SER 32 -10.691 -8.932 -8.506 258 H GLN 33 H GLN 33 -11.506 -7.603 -6.636 259 HA GLN 33 HA GLN 33 -10.853 -8.442 -3.903 260 1HB GLN 33 1HB GLN 33 -13.305 -8.144 -3.530 261 2HB GLN 33 2HB GLN 33 -12.486 -6.672 -4.037 262 1HG GLN 33 1HG GLN 33 -13.523 -8.355 -6.241 263 2HG GLN 33 2HG GLN 33 -14.759 -7.638 -5.207 264 2HE2 GLN 33 2HE2 GLN 33 -13.847 -5.155 -4.587 265 1HE2 GLN 33 1HE2 GLN 33 -13.518 -4.244 -5.980 266 H LEU 34 H LEU 34 -10.535 -10.199 -6.296 267 HA LEU 34 HA LEU 34 -12.448 -12.322 -5.531 268 1HB LEU 34 1HB LEU 34 -12.053 -13.252 -7.789 269 2HB LEU 34 2HB LEU 34 -12.826 -11.682 -7.808 270 HG LEU 34 HG LEU 34 -10.263 -10.898 -8.077 271 1HD1 LEU 34 1HD1 LEU 34 -10.409 -13.764 -8.912 272 2HD1 LEU 34 2HD1 LEU 34 -9.440 -12.654 -9.881 273 3HD1 LEU 34 3HD1 LEU 34 -9.076 -12.878 -8.169 274 1HD2 LEU 34 1HD2 LEU 34 -12.336 -10.561 -9.565 275 2HD2 LEU 34 2HD2 LEU 34 -10.766 -10.548 -10.366 276 3HD2 LEU 34 3HD2 LEU 34 -11.785 -11.986 -10.445 277 H CYS 35 H CYS 35 -9.939 -11.705 -4.220 278 HA CYS 35 HA CYS 35 -8.357 -14.107 -4.932 279 1HB CYS 35 1HB CYS 35 -7.394 -11.654 -3.440 280 2HB CYS 35 2HB CYS 35 -6.412 -13.012 -3.985 281 H SER 36 H SER 36 -6.886 -14.512 -2.752 282 HA SER 36 HA SER 36 -8.834 -15.481 -0.832 283 1HB SER 36 1HB SER 36 -6.849 -16.838 -1.539 284 2HB SER 36 2HB SER 36 -5.815 -15.671 -0.723 285 HG SER 36 HG SER 36 -7.430 -17.646 0.301 286 H LYS 37 H LYS 37 -6.371 -12.996 -1.048 287 HA LYS 37 HA LYS 37 -7.400 -11.809 1.438 288 1HB LYS 37 1HB LYS 37 -5.345 -13.147 1.993 289 2HB LYS 37 2HB LYS 37 -4.438 -12.110 0.892 290 1HG LYS 37 1HG LYS 37 -4.100 -10.854 2.769 291 2HG LYS 37 2HG LYS 37 -5.705 -10.227 2.391 292 1HD LYS 37 1HD LYS 37 -6.081 -10.870 4.573 293 2HD LYS 37 2HD LYS 37 -6.453 -12.396 3.770 294 1HE LYS 37 1HE LYS 37 -4.921 -13.226 5.253 295 2HE LYS 37 2HE LYS 37 -3.769 -12.661 4.044 296 1HZ LYS 37 1HZ LYS 37 -4.720 -10.801 6.111 297 2HZ LYS 37 2HZ LYS 37 -3.524 -11.936 6.507 298 3HZ LYS 37 3HZ LYS 37 -3.246 -10.811 5.265 299 HA PRO 38 HA PRO 38 -6.801 -8.638 -1.825 300 1HB PRO 38 1HB PRO 38 -9.193 -7.376 -1.444 301 2HB PRO 38 2HB PRO 38 -8.982 -8.791 -2.486 302 1HG PRO 38 1HG PRO 38 -10.264 -8.594 0.171 303 2HG PRO 38 2HG PRO 38 -10.531 -9.769 -1.125 304 1HD PRO 38 1HD PRO 38 -8.996 -10.164 1.242 305 2HD PRO 38 2HD PRO 38 -9.094 -11.256 -0.160 306 H GLY 39 H GLY 39 -6.906 -6.212 -1.693 307 1HA GLY 39 1HA GLY 39 -5.617 -5.273 0.668 308 2HA GLY 39 2HA GLY 39 -7.286 -4.710 0.613 309 H VAL 40 H VAL 40 -4.512 -3.420 0.241 310 HA VAL 40 HA VAL 40 -4.721 -2.382 -2.482 311 HB VAL 40 HB VAL 40 -4.816 -0.477 -0.135 312 1HG1 VAL 40 1HG1 VAL 40 -3.867 -0.015 -2.608 313 2HG1 VAL 40 2HG1 VAL 40 -5.583 0.253 -2.913 314 3HG1 VAL 40 3HG1 VAL 40 -4.744 1.204 -1.687 315 1HG2 VAL 40 1HG2 VAL 40 -7.002 -1.531 -1.942 316 2HG2 VAL 40 2HG2 VAL 40 -6.951 -1.569 -0.180 317 3HG2 VAL 40 3HG2 VAL 40 -7.163 -0.035 -1.023 318 H ILE 41 H ILE 41 -2.813 -1.706 -3.287 319 HA ILE 41 HA ILE 41 -0.483 -1.911 -1.494 320 HB ILE 41 HB ILE 41 -0.833 -2.320 -4.464 321 1HG1 ILE 41 1HG1 ILE 41 0.444 -4.454 -3.740 322 2HG1 ILE 41 2HG1 ILE 41 0.031 -3.967 -2.095 323 1HG2 ILE 41 1HG2 ILE 41 1.740 -1.907 -2.919 324 2HG2 ILE 41 2HG2 ILE 41 1.685 -2.759 -4.462 325 3HG2 ILE 41 3HG2 ILE 41 1.208 -1.062 -4.375 326 1HD1 ILE 41 1HD1 ILE 41 -2.158 -3.963 -4.125 327 2HD1 ILE 41 2HD1 ILE 41 -1.594 -5.526 -3.536 328 3HD1 ILE 41 3HD1 ILE 41 -2.226 -4.333 -2.403 329 H PHE 42 H PHE 42 0.423 -0.090 -0.865 330 HA PHE 42 HA PHE 42 -0.270 2.447 -2.075 331 1HB PHE 42 1HB PHE 42 1.287 1.561 0.320 332 2HB PHE 42 2HB PHE 42 1.586 3.175 -0.323 333 HD1 PHE 42 HD1 PHE 42 -1.031 0.909 1.022 334 HD2 PHE 42 HD2 PHE 42 -0.011 4.934 -0.077 335 HE1 PHE 42 HE1 PHE 42 -3.097 1.733 2.120 336 HE2 PHE 42 HE2 PHE 42 -2.075 5.758 1.021 337 HZ PHE 42 HZ PHE 42 -3.618 4.158 2.123 338 H LEU 43 H LEU 43 1.063 3.808 -3.210 339 HA LEU 43 HA LEU 43 3.649 2.666 -4.102 340 1HB LEU 43 1HB LEU 43 1.504 4.147 -5.563 341 2HB LEU 43 2HB LEU 43 3.166 4.341 -6.077 342 HG LEU 43 HG LEU 43 3.339 1.959 -6.539 343 1HD1 LEU 43 1HD1 LEU 43 0.650 1.926 -5.195 344 2HD1 LEU 43 2HD1 LEU 43 1.045 0.698 -6.396 345 3HD1 LEU 43 3HD1 LEU 43 2.030 0.857 -4.943 346 1HD2 LEU 43 1HD2 LEU 43 2.189 3.637 -8.146 347 2HD2 LEU 43 2HD2 LEU 43 1.961 1.918 -8.462 348 3HD2 LEU 43 3HD2 LEU 43 0.686 2.846 -7.673 349 H THR 44 H THR 44 5.204 3.717 -2.979 350 HA THR 44 HA THR 44 4.873 6.395 -2.024 351 HB THR 44 HB THR 44 7.198 6.224 -1.311 352 HG1 THR 44 HG1 THR 44 7.195 3.828 -2.828 353 1HG2 THR 44 1HG2 THR 44 5.271 4.008 -0.863 354 2HG2 THR 44 2HG2 THR 44 6.930 3.722 -0.334 355 3HG2 THR 44 3HG2 THR 44 6.028 5.097 0.300 356 H LYS 45 H LYS 45 6.571 8.096 -2.551 357 HA LYS 45 HA LYS 45 6.319 8.884 -5.237 358 1HB LYS 45 1HB LYS 45 7.921 9.811 -2.903 359 2HB LYS 45 2HB LYS 45 8.418 10.365 -4.501 360 1HG LYS 45 1HG LYS 45 6.576 11.677 -4.763 361 2HG LYS 45 2HG LYS 45 5.507 10.499 -4.004 362 1HD LYS 45 1HD LYS 45 5.715 11.449 -1.950 363 2HD LYS 45 2HD LYS 45 7.446 11.721 -2.147 364 1HE LYS 45 1HE LYS 45 6.719 13.912 -2.191 365 2HE LYS 45 2HE LYS 45 6.585 13.534 -3.908 366 1HZ LYS 45 1HZ LYS 45 4.379 13.265 -1.938 367 2HZ LYS 45 2HZ LYS 45 4.573 14.577 -3.001 368 3HZ LYS 45 3HZ LYS 45 4.271 13.025 -3.616 369 H ARG 46 H ARG 46 9.259 7.800 -3.533 370 HA ARG 46 HA ARG 46 10.249 6.728 -6.107 371 1HB ARG 46 1HB ARG 46 11.362 8.886 -5.430 372 2HB ARG 46 2HB ARG 46 11.976 8.035 -4.010 373 1HG ARG 46 1HG ARG 46 13.387 6.680 -5.259 374 2HG ARG 46 2HG ARG 46 12.390 6.804 -6.710 375 1HD ARG 46 1HD ARG 46 13.198 8.959 -7.225 376 2HD ARG 46 2HD ARG 46 13.810 9.215 -5.594 377 HE ARG 46 HE ARG 46 15.142 7.011 -6.805 378 1HH1 ARG 46 1HH1 ARG 46 14.958 10.506 -6.905 379 2HH1 ARG 46 2HH1 ARG 46 16.586 10.688 -7.461 380 1HH2 ARG 46 1HH2 ARG 46 17.258 7.294 -7.530 381 2HH2 ARG 46 2HH2 ARG 46 17.879 8.887 -7.812 382 H GLY 47 H GLY 47 9.270 5.876 -3.073 383 1HA GLY 47 1HA GLY 47 9.789 4.182 -1.599 384 2HA GLY 47 2HA GLY 47 11.394 4.103 -2.318 385 H ARG 48 H ARG 48 8.464 2.546 -1.963 386 HA ARG 48 HA ARG 48 8.558 1.049 -4.462 387 1HB ARG 48 1HB ARG 48 9.720 0.045 -1.945 388 2HB ARG 48 2HB ARG 48 8.587 -1.066 -2.710 389 1HG ARG 48 1HG ARG 48 9.918 -0.463 -4.900 390 2HG ARG 48 2HG ARG 48 11.181 0.013 -3.765 391 1HD ARG 48 1HD ARG 48 10.541 -2.354 -2.684 392 2HD ARG 48 2HD ARG 48 10.072 -2.691 -4.346 393 HE ARG 48 HE ARG 48 12.320 -2.700 -4.926 394 1HH1 ARG 48 1HH1 ARG 48 11.924 -1.212 -1.782 395 2HH1 ARG 48 2HH1 ARG 48 13.625 -1.130 -1.482 396 1HH2 ARG 48 1HH2 ARG 48 14.530 -2.573 -4.493 397 2HH2 ARG 48 2HH2 ARG 48 15.090 -1.893 -3.002 398 H GLN 49 H GLN 49 7.029 -1.074 -3.908 399 HA GLN 49 HA GLN 49 4.449 0.123 -3.330 400 1HB GLN 49 1HB GLN 49 5.398 -2.484 -4.448 401 2HB GLN 49 2HB GLN 49 3.779 -2.402 -3.754 402 1HG GLN 49 1HG GLN 49 3.239 -1.723 -5.878 403 2HG GLN 49 2HG GLN 49 3.729 -0.152 -5.242 404 2HE2 GLN 49 2HE2 GLN 49 4.467 0.543 -7.388 405 1HE2 GLN 49 1HE2 GLN 49 5.902 -0.071 -8.055 406 H VAL 50 H VAL 50 2.952 -0.813 -1.777 407 HA VAL 50 HA VAL 50 4.086 -2.511 0.312 408 HB VAL 50 HB VAL 50 3.037 0.262 0.931 409 1HG1 VAL 50 1HG1 VAL 50 3.775 -2.121 2.595 410 2HG1 VAL 50 2HG1 VAL 50 4.107 -0.508 3.227 411 3HG1 VAL 50 3HG1 VAL 50 2.455 -0.971 2.814 412 1HG2 VAL 50 1HG2 VAL 50 5.812 -0.945 1.007 413 2HG2 VAL 50 2HG2 VAL 50 5.271 0.423 0.035 414 3HG2 VAL 50 3HG2 VAL 50 5.390 0.579 1.788 415 H CYS 51 H CYS 51 2.602 -3.947 0.866 416 HA CYS 51 HA CYS 51 -0.155 -3.675 0.069 417 1HB CYS 51 1HB CYS 51 1.513 -5.756 1.399 418 2HB CYS 51 2HB CYS 51 -0.222 -5.802 1.711 419 H ALA 52 H ALA 52 -1.610 -2.514 1.177 420 HA ALA 52 HA ALA 52 -1.387 -2.458 4.123 421 1HB ALA 52 1HB ALA 52 -0.587 -0.317 2.885 422 2HB ALA 52 2HB ALA 52 -2.304 -0.040 2.594 423 3HB ALA 52 3HB ALA 52 -1.696 -0.145 4.246 424 H ASP 53 H ASP 53 -3.236 -2.708 5.212 425 HA ASP 53 HA ASP 53 -5.680 -3.168 3.647 426 1HB ASP 53 1HB ASP 53 -4.677 -4.062 6.311 427 2HB ASP 53 2HB ASP 53 -6.420 -3.892 6.108 428 H LYS 54 H LYS 54 -7.210 -1.664 3.562 429 HA LYS 54 HA LYS 54 -7.034 0.854 4.755 430 1HB LYS 54 1HB LYS 54 -9.439 1.107 4.146 431 2HB LYS 54 2HB LYS 54 -8.452 0.488 2.821 432 1HG LYS 54 1HG LYS 54 -9.224 -1.751 3.170 433 2HG LYS 54 2HG LYS 54 -9.974 -1.323 4.708 434 1HD LYS 54 1HD LYS 54 -11.719 -0.135 3.672 435 2HD LYS 54 2HD LYS 54 -10.826 0.039 2.160 436 1HE LYS 54 1HE LYS 54 -11.119 -2.275 1.615 437 2HE LYS 54 2HE LYS 54 -11.713 -2.647 3.232 438 1HZ LYS 54 1HZ LYS 54 -13.574 -1.063 2.747 439 2HZ LYS 54 2HZ LYS 54 -13.056 -1.048 1.131 440 3HZ LYS 54 3HZ LYS 54 -13.589 -2.499 1.838 441 H SER 55 H SER 55 -8.273 -2.135 6.035 442 HA SER 55 HA SER 55 -10.008 -1.203 8.024 443 1HB SER 55 1HB SER 55 -9.130 -3.664 7.269 444 2HB SER 55 2HB SER 55 -8.283 -3.465 8.798 445 HG SER 55 HG SER 55 -10.114 -3.683 9.795 446 H LYS 56 H LYS 56 -6.524 -1.169 7.840 447 HA LYS 56 HA LYS 56 -5.887 -0.864 10.564 448 1HB LYS 56 1HB LYS 56 -4.470 0.379 8.193 449 2HB LYS 56 2HB LYS 56 -3.786 0.105 9.795 450 1HG LYS 56 1HG LYS 56 -4.978 -2.270 8.468 451 2HG LYS 56 2HG LYS 56 -3.492 -1.647 7.753 452 1HD LYS 56 1HD LYS 56 -2.746 -3.194 9.384 453 2HD LYS 56 2HD LYS 56 -2.562 -1.620 10.161 454 1HE LYS 56 1HE LYS 56 -5.209 -2.905 10.511 455 2HE LYS 56 2HE LYS 56 -3.862 -3.714 11.311 456 1HZ LYS 56 1HZ LYS 56 -4.144 -0.798 11.542 457 2HZ LYS 56 2HZ LYS 56 -5.114 -1.805 12.504 458 3HZ LYS 56 3HZ LYS 56 -3.422 -1.900 12.616 459 H ASP 57 H ASP 57 -4.608 1.432 11.025 460 HA ASP 57 HA ASP 57 -6.789 3.417 10.983 461 1HB ASP 57 1HB ASP 57 -5.660 2.569 13.168 462 2HB ASP 57 2HB ASP 57 -4.331 3.631 12.699 463 H TRP 58 H TRP 58 -3.220 3.331 10.822 464 HA TRP 58 HA TRP 58 -2.962 5.956 9.812 465 1HB TRP 58 1HB TRP 58 -0.660 5.315 9.200 466 2HB TRP 58 2HB TRP 58 -1.066 4.832 10.843 467 HD1 TRP 58 HD1 TRP 58 -1.524 2.211 11.276 468 HE1 TRP 58 HE1 TRP 58 -0.655 0.130 10.030 469 HE3 TRP 58 HE3 TRP 58 -0.021 4.365 6.903 470 HZ2 TRP 58 HZ2 TRP 58 0.522 -0.537 7.493 471 HZ3 TRP 58 HZ3 TRP 58 0.973 2.993 5.098 472 HH2 TRP 58 HH2 TRP 58 1.244 0.552 5.387 473 H VAL 59 H VAL 59 -3.605 2.903 8.254 474 HA VAL 59 HA VAL 59 -2.981 3.808 5.595 475 HB VAL 59 HB VAL 59 -4.721 1.485 6.459 476 1HG1 VAL 59 1HG1 VAL 59 -3.692 2.505 3.861 477 2HG1 VAL 59 2HG1 VAL 59 -3.580 0.763 4.111 478 3HG1 VAL 59 3HG1 VAL 59 -5.146 1.568 4.204 479 1HG2 VAL 59 1HG2 VAL 59 -1.751 1.684 5.872 480 2HG2 VAL 59 2HG2 VAL 59 -2.487 1.302 7.428 481 3HG2 VAL 59 3HG2 VAL 59 -2.625 0.168 6.084 482 H LYS 60 H LYS 60 -5.799 3.794 7.674 483 HA LYS 60 HA LYS 60 -7.760 4.349 5.703 484 1HB LYS 60 1HB LYS 60 -8.105 3.652 8.165 485 2HB LYS 60 2HB LYS 60 -7.897 5.364 8.537 486 1HG LYS 60 1HG LYS 60 -9.834 5.987 7.391 487 2HG LYS 60 2HG LYS 60 -9.816 4.544 6.377 488 1HD LYS 60 1HD LYS 60 -10.174 3.255 8.616 489 2HD LYS 60 2HD LYS 60 -10.692 4.820 9.243 490 1HE LYS 60 1HE LYS 60 -12.192 4.899 7.103 491 2HE LYS 60 2HE LYS 60 -11.935 3.155 7.068 492 1HZ LYS 60 1HZ LYS 60 -12.744 3.037 9.350 493 2HZ LYS 60 2HZ LYS 60 -13.032 4.711 9.347 494 3HZ LYS 60 3HZ LYS 60 -13.917 3.699 8.314 495 H LYS 61 H LYS 61 -5.784 6.438 7.785 496 HA LYS 61 HA LYS 61 -6.885 8.906 6.972 497 1HB LYS 61 1HB LYS 61 -5.154 8.296 8.882 498 2HB LYS 61 2HB LYS 61 -3.977 8.715 7.636 499 1HG LYS 61 1HG LYS 61 -4.375 10.771 8.715 500 2HG LYS 61 2HG LYS 61 -5.420 10.847 7.295 501 1HD LYS 61 1HD LYS 61 -6.990 11.410 8.873 502 2HD LYS 61 2HD LYS 61 -7.121 9.657 9.012 503 1HE LYS 61 1HE LYS 61 -5.268 9.823 10.786 504 2HE LYS 61 2HE LYS 61 -5.589 11.558 10.791 505 1HZ LYS 61 1HZ LYS 61 -7.630 9.454 11.263 506 2HZ LYS 61 2HZ LYS 61 -6.866 10.352 12.482 507 3HZ LYS 61 3HZ LYS 61 -7.871 11.134 11.356 508 H LEU 62 H LEU 62 -4.158 7.017 5.717 509 HA LEU 62 HA LEU 62 -3.289 8.867 3.769 510 1HB LEU 62 1HB LEU 62 -3.179 5.856 3.739 511 2HB LEU 62 2HB LEU 62 -2.321 6.896 2.627 512 HG LEU 62 HG LEU 62 -1.859 7.272 5.555 513 1HD1 LEU 62 1HD1 LEU 62 -1.191 4.860 3.945 514 2HD1 LEU 62 2HD1 LEU 62 0.098 5.515 4.955 515 3HD1 LEU 62 3HD1 LEU 62 -1.430 5.024 5.684 516 1HD2 LEU 62 1HD2 LEU 62 -0.503 7.786 2.952 517 2HD2 LEU 62 2HD2 LEU 62 -0.550 8.778 4.409 518 3HD2 LEU 62 3HD2 LEU 62 0.539 7.395 4.320 519 H MET 63 H MET 63 -5.624 6.228 3.660 520 HA MET 63 HA MET 63 -6.274 6.216 0.958 521 1HB MET 63 1HB MET 63 -7.882 5.637 3.430 522 2HB MET 63 2HB MET 63 -8.625 5.562 1.832 523 1HG MET 63 1HG MET 63 -6.347 4.149 1.370 524 2HG MET 63 2HG MET 63 -6.609 3.770 3.071 525 1HE MET 63 1HE MET 63 -7.038 3.230 -0.262 526 2HE MET 63 2HE MET 63 -7.111 1.528 0.214 527 3HE MET 63 3HE MET 63 -8.477 2.277 -0.610 528 H GLN 64 H GLN 64 -7.345 8.386 3.510 529 HA GLN 64 HA GLN 64 -9.136 9.801 1.672 530 1HB GLN 64 1HB GLN 64 -8.598 10.010 4.630 531 2HB GLN 64 2HB GLN 64 -9.531 11.234 3.767 532 1HG GLN 64 1HG GLN 64 -11.017 9.387 2.910 533 2HG GLN 64 2HG GLN 64 -10.161 8.278 3.981 534 2HE2 GLN 64 2HE2 GLN 64 -12.973 9.935 3.875 535 1HE2 GLN 64 1HE2 GLN 64 -13.181 10.294 5.521 536 H GLN 65 H GLN 65 -6.010 10.139 3.202 537 HA GLN 65 HA GLN 65 -5.723 12.946 2.685 538 1HB GLN 65 1HB GLN 65 -3.896 10.750 3.581 539 2HB GLN 65 2HB GLN 65 -3.211 12.280 3.038 540 1HG GLN 65 1HG GLN 65 -5.161 13.215 4.660 541 2HG GLN 65 2HG GLN 65 -4.820 11.682 5.463 542 2HE2 GLN 65 2HE2 GLN 65 -2.651 11.360 6.347 543 1HE2 GLN 65 1HE2 GLN 65 -1.593 12.669 6.573 544 H LEU 66 H LEU 66 -4.836 9.977 1.002 545 HA LEU 66 HA LEU 66 -3.545 11.530 -1.135 546 1HB LEU 66 1HB LEU 66 -3.693 8.589 -0.518 547 2HB LEU 66 2HB LEU 66 -3.108 9.184 -2.055 548 HG LEU 66 HG LEU 66 -1.262 10.326 -0.954 549 1HD1 LEU 66 1HD1 LEU 66 -2.833 9.607 1.484 550 2HD1 LEU 66 2HD1 LEU 66 -1.075 9.622 1.615 551 3HD1 LEU 66 3HD1 LEU 66 -1.936 11.082 1.123 552 1HD2 LEU 66 1HD2 LEU 66 -1.779 7.430 -0.515 553 2HD2 LEU 66 2HD2 LEU 66 -0.458 8.217 -1.375 554 3HD2 LEU 66 3HD2 LEU 66 -0.432 8.124 0.385 555 HA PRO 67 HA PRO 67 -7.101 11.157 -3.708 556 1HB PRO 67 1HB PRO 67 -5.963 11.227 -6.200 557 2HB PRO 67 2HB PRO 67 -6.120 12.639 -5.144 558 1HG PRO 67 1HG PRO 67 -3.712 11.045 -5.804 559 2HG PRO 67 2HG PRO 67 -3.844 12.741 -5.320 560 1HD PRO 67 1HD PRO 67 -3.064 10.587 -3.657 561 2HD PRO 67 2HD PRO 67 -3.494 12.228 -3.121 562 H VAL 68 H VAL 68 -4.881 9.436 -5.873 563 HA VAL 68 HA VAL 68 -5.196 6.807 -5.347 564 HB VAL 68 HB VAL 68 -7.782 7.901 -6.305 565 1HG1 VAL 68 1HG1 VAL 68 -6.670 5.369 -7.555 566 2HG1 VAL 68 2HG1 VAL 68 -8.374 5.822 -7.569 567 3HG1 VAL 68 3HG1 VAL 68 -7.190 6.822 -8.409 568 1HG2 VAL 68 1HG2 VAL 68 -6.975 6.419 -4.218 569 2HG2 VAL 68 2HG2 VAL 68 -8.618 6.345 -4.849 570 3HG2 VAL 68 3HG2 VAL 68 -7.439 5.118 -5.312 571 H THR 69 H THR 69 -4.630 5.431 -7.155 572 HA THR 69 HA THR 69 -2.772 6.629 -8.905 573 HB THR 69 HB THR 69 -3.154 4.298 -10.136 574 HG1 THR 69 HG1 THR 69 -4.598 3.164 -9.157 575 1HG2 THR 69 1HG2 THR 69 -1.169 5.055 -8.801 576 2HG2 THR 69 2HG2 THR 69 -1.984 4.475 -7.349 577 3HG2 THR 69 3HG2 THR 69 -1.529 3.338 -8.617 578 H ALA 70 H ALA 70 -2.822 6.514 -11.285 579 HA ALA 70 HA ALA 70 -3.733 7.122 -13.308 580 1HB ALA 70 1HB ALA 70 -5.739 6.081 -13.988 581 2HB ALA 70 2HB ALA 70 -5.041 4.961 -12.818 582 3HB ALA 70 3HB ALA 70 -6.367 6.022 -12.341 583 H ARG 71 H ARG 71 -5.437 8.507 -14.327 584 HA ARG 71 HA ARG 71 -5.725 10.925 -12.882 585 1HB ARG 71 1HB ARG 71 -7.176 10.012 -15.378 586 2HB ARG 71 2HB ARG 71 -7.101 11.669 -14.781 587 1HG ARG 71 1HG ARG 71 -4.552 10.152 -15.248 588 2HG ARG 71 2HG ARG 71 -5.394 10.878 -16.618 589 1HD ARG 71 1HD ARG 71 -5.471 13.004 -15.074 590 2HD ARG 71 2HD ARG 71 -4.133 12.216 -14.245 591 HE ARG 71 HE ARG 71 -4.036 13.488 -16.819 592 1HH1 ARG 71 1HH1 ARG 71 -2.671 10.908 -14.887 593 2HH1 ARG 71 2HH1 ARG 71 -1.176 10.895 -15.756 594 1HH2 ARG 71 1HH2 ARG 71 -2.071 13.438 -17.925 595 2HH2 ARG 71 2HH2 ARG 71 -0.837 12.315 -17.462 No H/Q in entry = 595 Start of MODEL 20 1 H1 LEU 1 H1 LEU 1 10.821 -16.283 -9.437 2 H2 LEU 1 H2 LEU 1 12.388 -15.660 -9.650 3 H3 LEU 1 H3 LEU 1 11.085 -15.006 -10.522 4 HA LEU 1 HA LEU 1 10.943 -16.781 -11.954 5 1HB LEU 1 1HB LEU 1 13.817 -16.358 -11.121 6 2HB LEU 1 2HB LEU 1 13.388 -17.412 -12.469 7 HG LEU 1 HG LEU 1 12.265 -14.628 -12.342 8 1HD1 LEU 1 1HD1 LEU 1 15.071 -15.456 -13.012 9 2HD1 LEU 1 2HD1 LEU 1 14.319 -14.149 -13.927 10 3HD1 LEU 1 3HD1 LEU 1 14.505 -14.008 -12.179 11 1HD2 LEU 1 1HD2 LEU 1 11.713 -16.616 -14.013 12 2HD2 LEU 1 2HD2 LEU 1 11.848 -14.960 -14.605 13 3HD2 LEU 1 3HD2 LEU 1 13.199 -16.078 -14.795 14 H GLY 2 H GLY 2 9.801 -18.487 -11.051 15 1HA GLY 2 1HA GLY 2 10.791 -20.293 -9.115 16 2HA GLY 2 2HA GLY 2 11.129 -20.936 -10.720 17 H ALA 3 H ALA 3 9.678 -22.682 -10.117 18 HA ALA 3 HA ALA 3 7.003 -22.218 -11.072 19 1HB ALA 3 1HB ALA 3 8.399 -24.342 -11.403 20 2HB ALA 3 2HB ALA 3 7.980 -24.740 -9.737 21 3HB ALA 3 3HB ALA 3 6.710 -24.565 -10.948 22 H SER 4 H SER 4 5.342 -23.714 -9.640 23 HA SER 4 HA SER 4 4.010 -23.817 -7.790 24 1HB SER 4 1HB SER 4 4.952 -23.936 -5.680 25 2HB SER 4 2HB SER 4 6.338 -24.304 -6.697 26 HG SER 4 HG SER 4 7.061 -22.745 -5.373 27 H TRP 5 H TRP 5 6.038 -20.914 -7.300 28 HA TRP 5 HA TRP 5 3.875 -19.343 -6.330 29 1HB TRP 5 1HB TRP 5 6.435 -18.972 -6.050 30 2HB TRP 5 2HB TRP 5 6.321 -18.153 -7.608 31 HD1 TRP 5 HD1 TRP 5 4.963 -17.958 -4.024 32 HE1 TRP 5 HE1 TRP 5 4.138 -15.554 -3.592 33 HE3 TRP 5 HE3 TRP 5 5.524 -15.978 -8.697 34 HZ2 TRP 5 HZ2 TRP 5 3.764 -13.115 -5.037 35 HZ3 TRP 5 HZ3 TRP 5 4.926 -13.615 -9.142 36 HH2 TRP 5 HH2 TRP 5 4.048 -12.181 -7.319 37 H HIS 6 H HIS 6 2.250 -19.736 -7.945 38 HA HIS 6 HA HIS 6 1.997 -17.656 -9.832 39 1HB HIS 6 1HB HIS 6 3.739 -19.203 -10.954 40 2HB HIS 6 2HB HIS 6 2.386 -20.306 -11.206 41 HD1 HIS 6 HD1 HIS 6 1.377 -19.985 -13.453 42 HD2 HIS 6 HD2 HIS 6 2.764 -16.381 -11.883 43 HE1 HIS 6 HE1 HIS 6 0.845 -18.203 -15.172 44 H ARG 7 H ARG 7 -0.117 -17.339 -9.898 45 HA ARG 7 HA ARG 7 -2.051 -19.154 -10.711 46 1HB ARG 7 1HB ARG 7 -1.250 -19.844 -8.131 47 2HB ARG 7 2HB ARG 7 -2.729 -18.920 -7.874 48 1HG ARG 7 1HG ARG 7 -3.986 -20.367 -9.318 49 2HG ARG 7 2HG ARG 7 -2.522 -21.165 -9.894 50 1HD ARG 7 1HD ARG 7 -3.484 -21.217 -7.023 51 2HD ARG 7 2HD ARG 7 -3.763 -22.507 -8.188 52 HE ARG 7 HE ARG 7 -0.986 -21.896 -8.034 53 1HH1 ARG 7 1HH1 ARG 7 -3.567 -23.474 -6.272 54 2HH1 ARG 7 2HH1 ARG 7 -2.499 -24.563 -5.459 55 1HH2 ARG 7 1HH2 ARG 7 0.372 -23.336 -6.951 56 2HH2 ARG 7 2HH2 ARG 7 -0.288 -24.488 -5.839 57 HA PRO 8 HA PRO 8 -4.241 -15.367 -8.874 58 1HB PRO 8 1HB PRO 8 -2.908 -13.706 -7.164 59 2HB PRO 8 2HB PRO 8 -3.803 -15.141 -6.641 60 1HG PRO 8 1HG PRO 8 -0.886 -14.706 -6.793 61 2HG PRO 8 2HG PRO 8 -1.806 -15.838 -5.792 62 1HD PRO 8 1HD PRO 8 -0.382 -16.437 -8.187 63 2HD PRO 8 2HD PRO 8 -1.449 -17.527 -7.275 64 H ASP 9 H ASP 9 -4.387 -13.062 -9.415 65 HA ASP 9 HA ASP 9 -2.674 -12.366 -11.620 66 1HB ASP 9 1HB ASP 9 -5.020 -11.047 -10.278 67 2HB ASP 9 2HB ASP 9 -4.061 -10.181 -11.479 68 H LYS 10 H LYS 10 -3.581 -10.386 -8.817 69 HA LYS 10 HA LYS 10 -0.778 -9.779 -8.267 70 1HB LYS 10 1HB LYS 10 -1.188 -7.327 -8.371 71 2HB LYS 10 2HB LYS 10 -1.302 -8.114 -9.943 72 1HG LYS 10 1HG LYS 10 -3.836 -8.311 -9.432 73 2HG LYS 10 2HG LYS 10 -3.532 -7.088 -8.197 74 1HD LYS 10 1HD LYS 10 -2.461 -6.611 -10.948 75 2HD LYS 10 2HD LYS 10 -4.189 -6.389 -10.678 76 1HE LYS 10 1HE LYS 10 -3.701 -4.845 -8.814 77 2HE LYS 10 2HE LYS 10 -1.972 -5.062 -9.088 78 1HZ LYS 10 1HZ LYS 10 -3.814 -4.114 -11.204 79 2HZ LYS 10 2HZ LYS 10 -3.025 -3.051 -10.145 80 3HZ LYS 10 3HZ LYS 10 -2.117 -4.043 -11.183 81 H CYS 11 H CYS 11 -2.995 -11.097 -6.891 82 HA CYS 11 HA CYS 11 -4.150 -9.461 -4.905 83 1HB CYS 11 1HB CYS 11 -3.405 -12.382 -4.620 84 2HB CYS 11 2HB CYS 11 -4.638 -11.506 -3.716 85 H CYS 12 H CYS 12 -3.571 -10.383 -2.464 86 HA CYS 12 HA CYS 12 -0.679 -10.218 -2.039 87 1HB CYS 12 1HB CYS 12 -2.044 -7.888 -1.943 88 2HB CYS 12 2HB CYS 12 -2.289 -8.439 -0.286 89 H LEU 13 H LEU 13 -0.018 -10.949 0.028 90 HA LEU 13 HA LEU 13 -2.114 -12.454 1.481 91 1HB LEU 13 1HB LEU 13 -0.454 -14.095 2.052 92 2HB LEU 13 2HB LEU 13 -0.493 -13.889 0.314 93 HG LEU 13 HG LEU 13 1.499 -12.179 0.888 94 1HD1 LEU 13 1HD1 LEU 13 1.179 -13.966 3.244 95 2HD1 LEU 13 2HD1 LEU 13 2.824 -13.748 2.645 96 3HD1 LEU 13 3HD1 LEU 13 1.875 -12.349 3.145 97 1HD2 LEU 13 1HD2 LEU 13 1.746 -15.200 0.690 98 2HD2 LEU 13 2HD2 LEU 13 1.617 -14.083 -0.669 99 3HD2 LEU 13 3HD2 LEU 13 3.044 -14.050 0.366 100 H GLY 14 H GLY 14 0.820 -10.519 1.770 101 1HA GLY 14 1HA GLY 14 1.898 -10.060 3.909 102 2HA GLY 14 2HA GLY 14 0.329 -10.281 4.679 103 H TYR 15 H TYR 15 1.037 -8.131 5.589 104 HA TYR 15 HA TYR 15 0.603 -5.874 3.758 105 1HB TYR 15 1HB TYR 15 -1.031 -6.414 6.248 106 2HB TYR 15 2HB TYR 15 -0.983 -4.857 5.423 107 HD1 TYR 15 HD1 TYR 15 -1.877 -8.445 5.023 108 HD2 TYR 15 HD2 TYR 15 -2.175 -4.487 3.394 109 HE1 TYR 15 HE1 TYR 15 -3.579 -9.239 3.403 110 HE2 TYR 15 HE2 TYR 15 -3.874 -5.274 1.773 111 HH TYR 15 HH TYR 15 -4.434 -8.531 1.143 112 H GLN 16 H GLN 16 0.903 -3.752 5.038 113 HA GLN 16 HA GLN 16 3.469 -3.908 6.341 114 1HB GLN 16 1HB GLN 16 2.391 -1.982 4.840 115 2HB GLN 16 2HB GLN 16 1.878 -1.391 6.416 116 1HG GLN 16 1HG GLN 16 4.046 -0.422 5.881 117 2HG GLN 16 2HG GLN 16 4.239 -1.566 7.207 118 2HE2 GLN 16 2HE2 GLN 16 6.590 -1.326 6.144 119 1HE2 GLN 16 1HE2 GLN 16 6.965 -2.499 4.977 120 H LYS 17 H LYS 17 3.660 -4.503 8.390 121 HA LYS 17 HA LYS 17 1.482 -4.226 10.266 122 1HB LYS 17 1HB LYS 17 3.116 -5.184 11.896 123 2HB LYS 17 2HB LYS 17 2.906 -6.174 10.451 124 1HG LYS 17 1HG LYS 17 4.991 -5.594 9.583 125 2HG LYS 17 2HG LYS 17 5.068 -4.092 10.504 126 1HD LYS 17 1HD LYS 17 5.160 -5.571 12.602 127 2HD LYS 17 2HD LYS 17 5.487 -6.911 11.503 128 1HE LYS 17 1HE LYS 17 7.104 -4.401 11.239 129 2HE LYS 17 2HE LYS 17 7.485 -5.525 12.543 130 1HZ LYS 17 1HZ LYS 17 7.637 -7.300 10.881 131 2HZ LYS 17 2HZ LYS 17 7.357 -6.168 9.646 132 3HZ LYS 17 3HZ LYS 17 8.763 -6.065 10.594 133 H ARG 18 H ARG 18 3.814 -2.072 9.147 134 HA ARG 18 HA ARG 18 3.654 -0.517 11.657 135 1HB ARG 18 1HB ARG 18 5.949 -0.973 9.786 136 2HB ARG 18 2HB ARG 18 5.831 0.563 10.647 137 1HG ARG 18 1HG ARG 18 5.665 -0.668 12.793 138 2HG ARG 18 2HG ARG 18 5.838 -2.190 11.920 139 1HD ARG 18 1HD ARG 18 8.046 -1.533 11.128 140 2HD ARG 18 2HD ARG 18 7.873 0.053 11.872 141 HE ARG 18 HE ARG 18 7.571 -2.041 13.801 142 1HH1 ARG 18 1HH1 ARG 18 9.950 -0.258 11.953 143 2HH1 ARG 18 2HH1 ARG 18 11.208 -0.513 13.112 144 1HH2 ARG 18 1HH2 ARG 18 9.239 -2.350 15.286 145 2HH2 ARG 18 2HH2 ARG 18 10.811 -1.688 14.983 146 HA PRO 19 HA PRO 19 1.844 2.551 9.029 147 1HB PRO 19 1HB PRO 19 2.058 4.723 10.671 148 2HB PRO 19 2HB PRO 19 0.892 3.415 10.916 149 1HG PRO 19 1HG PRO 19 3.347 4.036 12.427 150 2HG PRO 19 2HG PRO 19 1.912 3.134 12.931 151 1HD PRO 19 1HD PRO 19 4.426 2.046 12.115 152 2HD PRO 19 2HD PRO 19 2.929 1.149 12.468 153 H LEU 20 H LEU 20 2.528 3.771 7.364 154 HA LEU 20 HA LEU 20 5.265 4.883 7.484 155 1HB LEU 20 1HB LEU 20 3.851 4.741 4.887 156 2HB LEU 20 2HB LEU 20 5.533 4.451 5.266 157 HG LEU 20 HG LEU 20 3.219 2.531 5.596 158 1HD1 LEU 20 1HD1 LEU 20 5.621 2.751 3.790 159 2HD1 LEU 20 2HD1 LEU 20 4.871 1.186 4.100 160 3HD1 LEU 20 3HD1 LEU 20 3.934 2.480 3.355 161 1HD2 LEU 20 1HD2 LEU 20 5.953 2.579 6.783 162 2HD2 LEU 20 2HD2 LEU 20 4.468 1.863 7.409 163 3HD2 LEU 20 3HD2 LEU 20 5.385 1.035 6.150 164 HA PRO 21 HA PRO 21 3.464 8.922 7.179 165 1HB PRO 21 1HB PRO 21 5.654 10.328 6.330 166 2HB PRO 21 2HB PRO 21 5.457 9.718 7.983 167 1HG PRO 21 1HG PRO 21 7.225 8.741 5.824 168 2HG PRO 21 2HG PRO 21 7.393 8.581 7.577 169 1HD PRO 21 1HD PRO 21 6.475 6.585 5.761 170 2HD PRO 21 2HD PRO 21 6.456 6.500 7.538 171 H GLN 22 H GLN 22 2.542 10.336 5.693 172 HA GLN 22 HA GLN 22 2.356 9.453 2.976 173 1HB GLN 22 1HB GLN 22 0.559 10.667 4.337 174 2HB GLN 22 2HB GLN 22 1.461 12.145 3.998 175 1HG GLN 22 1HG GLN 22 0.939 10.395 1.659 176 2HG GLN 22 2HG GLN 22 -0.478 11.176 2.362 177 2HE2 GLN 22 2HE2 GLN 22 1.447 11.679 -0.140 178 1HE2 GLN 22 1HE2 GLN 22 1.640 13.365 -0.092 179 H VAL 23 H VAL 23 4.679 11.327 4.582 180 HA VAL 23 HA VAL 23 5.314 13.349 2.793 181 HB VAL 23 HB VAL 23 6.315 13.100 5.038 182 1HG1 VAL 23 1HG1 VAL 23 6.664 10.552 4.652 183 2HG1 VAL 23 2HG1 VAL 23 8.175 11.032 3.880 184 3HG1 VAL 23 3HG1 VAL 23 7.883 11.431 5.572 185 1HG2 VAL 23 1HG2 VAL 23 7.415 14.465 3.239 186 2HG2 VAL 23 2HG2 VAL 23 8.537 13.849 4.452 187 3HG2 VAL 23 3HG2 VAL 23 8.431 13.071 2.871 188 H LEU 24 H LEU 24 6.355 9.970 2.792 189 HA LEU 24 HA LEU 24 7.765 10.380 0.256 190 1HB LEU 24 1HB LEU 24 9.057 8.633 0.820 191 2HB LEU 24 2HB LEU 24 8.424 8.890 2.426 192 HG LEU 24 HG LEU 24 7.378 6.872 0.424 193 1HD1 LEU 24 1HD1 LEU 24 9.291 6.733 2.723 194 2HD1 LEU 24 2HD1 LEU 24 8.285 5.335 2.341 195 3HD1 LEU 24 3HD1 LEU 24 9.398 5.978 1.133 196 1HD2 LEU 24 1HD2 LEU 24 6.217 8.005 2.809 197 2HD2 LEU 24 2HD2 LEU 24 5.539 6.799 1.720 198 3HD2 LEU 24 3HD2 LEU 24 6.546 6.295 3.075 199 H LEU 25 H LEU 25 4.866 8.974 1.549 200 HA LEU 25 HA LEU 25 4.327 7.397 -0.770 201 1HB LEU 25 1HB LEU 25 3.424 7.273 1.766 202 2HB LEU 25 2HB LEU 25 2.087 8.084 0.991 203 HG LEU 25 HG LEU 25 1.649 6.228 -0.432 204 1HD1 LEU 25 1HD1 LEU 25 4.448 5.469 0.284 205 2HD1 LEU 25 2HD1 LEU 25 3.309 4.161 -0.031 206 3HD1 LEU 25 3HD1 LEU 25 3.624 5.376 -1.270 207 1HD2 LEU 25 1HD2 LEU 25 2.323 5.501 2.413 208 2HD2 LEU 25 2HD2 LEU 25 0.737 5.740 1.680 209 3HD2 LEU 25 3HD2 LEU 25 1.669 4.290 1.310 210 H SER 26 H SER 26 3.195 7.803 -2.496 211 HA SER 26 HA SER 26 2.280 10.574 -2.884 212 1HB SER 26 1HB SER 26 3.857 9.170 -4.490 213 2HB SER 26 2HB SER 26 2.315 8.588 -5.111 214 HG SER 26 HG SER 26 2.119 10.431 -6.078 215 H SER 27 H SER 27 1.143 7.385 -4.047 216 HA SER 27 HA SER 27 -1.579 8.096 -3.197 217 1HB SER 27 1HB SER 27 -1.364 6.921 -5.906 218 2HB SER 27 2HB SER 27 -2.530 8.072 -5.268 219 HG SER 27 HG SER 27 -0.892 8.855 -6.840 220 H TRP 28 H TRP 28 -2.975 6.053 -4.300 221 HA TRP 28 HA TRP 28 -1.619 3.528 -3.696 222 1HB TRP 28 1HB TRP 28 -3.531 2.866 -2.172 223 2HB TRP 28 2HB TRP 28 -2.433 4.071 -1.502 224 HD1 TRP 28 HD1 TRP 28 -3.291 6.597 -1.377 225 HE1 TRP 28 HE1 TRP 28 -5.667 7.599 -1.338 226 HE3 TRP 28 HE3 TRP 28 -5.979 2.573 -3.029 227 HZ2 TRP 28 HZ2 TRP 28 -8.346 6.798 -1.937 228 HZ3 TRP 28 HZ3 TRP 28 -8.435 2.724 -3.283 229 HH2 TRP 28 HH2 TRP 28 -9.623 4.829 -2.738 230 H TYR 29 H TYR 29 -2.689 1.704 -4.564 231 HA TYR 29 HA TYR 29 -5.072 2.304 -6.192 232 1HB TYR 29 1HB TYR 29 -4.225 1.120 -8.090 233 2HB TYR 29 2HB TYR 29 -2.996 2.281 -7.612 234 HD1 TYR 29 HD1 TYR 29 -0.990 1.468 -6.251 235 HD2 TYR 29 HD2 TYR 29 -3.786 -1.206 -8.121 236 HE1 TYR 29 HE1 TYR 29 0.659 -0.367 -6.096 237 HE2 TYR 29 HE2 TYR 29 -2.131 -3.045 -7.958 238 HH TYR 29 HH TYR 29 -0.137 -3.598 -6.506 239 HA PRO 30 HA PRO 30 -6.523 -1.401 -4.253 240 1HB PRO 30 1HB PRO 30 -8.753 -1.832 -5.769 241 2HB PRO 30 2HB PRO 30 -8.629 -0.565 -4.539 242 1HG PRO 30 1HG PRO 30 -8.608 -0.327 -7.487 243 2HG PRO 30 2HG PRO 30 -9.077 0.861 -6.263 244 1HD PRO 30 1HD PRO 30 -6.617 0.776 -7.690 245 2HD PRO 30 2HD PRO 30 -7.008 1.822 -6.305 246 H THR 31 H THR 31 -6.357 -3.593 -4.441 247 HA THR 31 HA THR 31 -5.393 -4.643 -7.015 248 HB THR 31 HB THR 31 -3.943 -5.043 -5.082 249 HG1 THR 31 HG1 THR 31 -3.629 -6.773 -6.210 250 1HG2 THR 31 1HG2 THR 31 -6.410 -5.461 -3.734 251 2HG2 THR 31 2HG2 THR 31 -5.521 -6.981 -3.669 252 3HG2 THR 31 3HG2 THR 31 -4.784 -5.504 -3.052 253 H SER 32 H SER 32 -5.970 -7.231 -6.965 254 HA SER 32 HA SER 32 -8.671 -7.384 -7.744 255 1HB SER 32 1HB SER 32 -6.507 -9.372 -7.231 256 2HB SER 32 2HB SER 32 -8.163 -9.961 -7.338 257 HG SER 32 HG SER 32 -8.283 -8.765 -9.349 258 H GLN 33 H GLN 33 -10.473 -7.529 -6.600 259 HA GLN 33 HA GLN 33 -10.402 -7.747 -3.730 260 1HB GLN 33 1HB GLN 33 -12.505 -7.284 -5.793 261 2HB GLN 33 2HB GLN 33 -13.014 -7.874 -4.211 262 1HG GLN 33 1HG GLN 33 -11.529 -5.992 -3.245 263 2HG GLN 33 2HG GLN 33 -11.554 -5.319 -4.876 264 2HE2 GLN 33 2HE2 GLN 33 -13.371 -5.646 -1.945 265 1HE2 GLN 33 1HE2 GLN 33 -14.800 -4.919 -2.502 266 H LEU 34 H LEU 34 -10.990 -9.919 -6.395 267 HA LEU 34 HA LEU 34 -12.208 -11.956 -4.723 268 1HB LEU 34 1HB LEU 34 -11.260 -12.071 -7.587 269 2HB LEU 34 2HB LEU 34 -12.146 -13.335 -6.766 270 HG LEU 34 HG LEU 34 -13.713 -12.185 -8.137 271 1HD1 LEU 34 1HD1 LEU 34 -14.444 -12.664 -5.783 272 2HD1 LEU 34 2HD1 LEU 34 -14.016 -11.005 -5.361 273 3HD1 LEU 34 3HD1 LEU 34 -15.304 -11.314 -6.525 274 1HD2 LEU 34 1HD2 LEU 34 -12.102 -10.103 -8.183 275 2HD2 LEU 34 2HD2 LEU 34 -13.834 -9.873 -8.421 276 3HD2 LEU 34 3HD2 LEU 34 -13.109 -9.540 -6.849 277 H CYS 35 H CYS 35 -10.045 -11.540 -3.405 278 HA CYS 35 HA CYS 35 -8.225 -13.749 -4.147 279 1HB CYS 35 1HB CYS 35 -7.346 -11.153 -2.859 280 2HB CYS 35 2HB CYS 35 -6.313 -12.493 -3.355 281 H SER 36 H SER 36 -6.934 -14.504 -2.230 282 HA SER 36 HA SER 36 -8.662 -15.247 -0.123 283 1HB SER 36 1HB SER 36 -6.359 -16.268 -0.973 284 2HB SER 36 2HB SER 36 -5.708 -15.255 0.313 285 HG SER 36 HG SER 36 -6.792 -17.605 0.571 286 H LYS 37 H LYS 37 -6.159 -12.774 -0.388 287 HA LYS 37 HA LYS 37 -7.309 -11.417 1.953 288 1HB LYS 37 1HB LYS 37 -4.327 -11.807 1.597 289 2HB LYS 37 2HB LYS 37 -5.142 -11.010 2.944 290 1HG LYS 37 1HG LYS 37 -6.406 -13.396 3.013 291 2HG LYS 37 2HG LYS 37 -4.853 -13.910 2.353 292 1HD LYS 37 1HD LYS 37 -4.782 -12.034 4.667 293 2HD LYS 37 2HD LYS 37 -5.276 -13.695 4.996 294 1HE LYS 37 1HE LYS 37 -2.890 -13.336 3.257 295 2HE LYS 37 2HE LYS 37 -2.691 -12.939 4.964 296 1HZ LYS 37 1HZ LYS 37 -3.676 -15.138 5.478 297 2HZ LYS 37 2HZ LYS 37 -3.633 -15.510 3.821 298 3HZ LYS 37 3HZ LYS 37 -2.188 -15.233 4.664 299 HA PRO 38 HA PRO 38 -6.379 -8.522 -1.517 300 1HB PRO 38 1HB PRO 38 -8.861 -7.396 -1.668 301 2HB PRO 38 2HB PRO 38 -8.395 -8.869 -2.532 302 1HG PRO 38 1HG PRO 38 -10.140 -8.559 -0.165 303 2HG PRO 38 2HG PRO 38 -10.110 -9.841 -1.384 304 1HD PRO 38 1HD PRO 38 -9.003 -9.959 1.238 305 2HD PRO 38 2HD PRO 38 -8.793 -11.155 -0.063 306 H GLY 39 H GLY 39 -6.593 -6.116 -1.609 307 1HA GLY 39 1HA GLY 39 -5.743 -4.892 0.785 308 2HA GLY 39 2HA GLY 39 -7.446 -4.514 0.535 309 H VAL 40 H VAL 40 -4.672 -3.072 0.263 310 HA VAL 40 HA VAL 40 -4.883 -2.134 -2.502 311 HB VAL 40 HB VAL 40 -5.028 -0.198 -0.178 312 1HG1 VAL 40 1HG1 VAL 40 -4.009 0.291 -2.606 313 2HG1 VAL 40 2HG1 VAL 40 -5.716 0.505 -2.985 314 3HG1 VAL 40 3HG1 VAL 40 -4.960 1.485 -1.730 315 1HG2 VAL 40 1HG2 VAL 40 -7.137 -1.383 -1.975 316 2HG2 VAL 40 2HG2 VAL 40 -7.161 -1.206 -0.221 317 3HG2 VAL 40 3HG2 VAL 40 -7.351 0.212 -1.254 318 H ILE 41 H ILE 41 -2.992 -1.439 -3.331 319 HA ILE 41 HA ILE 41 -0.640 -1.617 -1.572 320 HB ILE 41 HB ILE 41 -0.999 -1.917 -4.558 321 1HG1 ILE 41 1HG1 ILE 41 0.239 -4.097 -3.931 322 2HG1 ILE 41 2HG1 ILE 41 -0.154 -3.678 -2.262 323 1HG2 ILE 41 1HG2 ILE 41 1.619 -1.811 -3.016 324 2HG2 ILE 41 2HG2 ILE 41 1.447 -2.237 -4.720 325 3HG2 ILE 41 3HG2 ILE 41 1.063 -0.602 -4.178 326 1HD1 ILE 41 1HD1 ILE 41 -2.366 -3.542 -4.257 327 2HD1 ILE 41 2HD1 ILE 41 -1.810 -5.145 -3.776 328 3HD1 ILE 41 3HD1 ILE 41 -2.411 -4.019 -2.559 329 H PHE 42 H PHE 42 0.595 0.105 -1.165 330 HA PHE 42 HA PHE 42 -0.229 2.694 -2.272 331 1HB PHE 42 1HB PHE 42 1.506 1.874 0.058 332 2HB PHE 42 2HB PHE 42 1.481 3.533 -0.540 333 HD1 PHE 42 HD1 PHE 42 -0.670 0.801 0.798 334 HD2 PHE 42 HD2 PHE 42 -0.315 5.001 -0.033 335 HE1 PHE 42 HE1 PHE 42 -2.769 1.228 2.051 336 HE2 PHE 42 HE2 PHE 42 -2.412 5.425 1.221 337 HZ PHE 42 HZ PHE 42 -3.638 3.540 2.264 338 H LEU 43 H LEU 43 1.333 4.164 -3.145 339 HA LEU 43 HA LEU 43 3.790 2.855 -4.156 340 1HB LEU 43 1HB LEU 43 2.442 4.967 -5.767 341 2HB LEU 43 2HB LEU 43 3.500 3.677 -6.289 342 HG LEU 43 HG LEU 43 1.388 2.205 -5.480 343 1HD1 LEU 43 1HD1 LEU 43 0.359 4.695 -5.120 344 2HD1 LEU 43 2HD1 LEU 43 -0.101 4.410 -6.798 345 3HD1 LEU 43 3HD1 LEU 43 -0.624 3.293 -5.537 346 1HD2 LEU 43 1HD2 LEU 43 1.891 3.605 -8.116 347 2HD2 LEU 43 2HD2 LEU 43 2.315 1.953 -7.666 348 3HD2 LEU 43 3HD2 LEU 43 0.626 2.391 -7.925 349 H THR 44 H THR 44 5.377 3.806 -3.010 350 HA THR 44 HA THR 44 5.230 6.465 -2.010 351 HB THR 44 HB THR 44 7.556 6.156 -1.387 352 HG1 THR 44 HG1 THR 44 7.402 3.816 -2.974 353 1HG2 THR 44 1HG2 THR 44 5.568 3.989 -0.960 354 2HG2 THR 44 2HG2 THR 44 7.231 3.641 -0.490 355 3HG2 THR 44 3HG2 THR 44 6.385 5.017 0.219 356 H LYS 45 H LYS 45 7.136 8.050 -2.553 357 HA LYS 45 HA LYS 45 6.777 8.968 -5.194 358 1HB LYS 45 1HB LYS 45 9.228 9.568 -3.547 359 2HB LYS 45 2HB LYS 45 8.518 10.549 -4.817 360 1HG LYS 45 1HG LYS 45 7.670 10.225 -1.974 361 2HG LYS 45 2HG LYS 45 7.773 11.667 -2.950 362 1HD LYS 45 1HD LYS 45 5.603 9.558 -3.140 363 2HD LYS 45 2HD LYS 45 5.430 11.178 -2.477 364 1HE LYS 45 1HE LYS 45 6.536 11.562 -5.036 365 2HE LYS 45 2HE LYS 45 5.304 10.318 -5.247 366 1HZ LYS 45 1HZ LYS 45 3.864 11.863 -3.826 367 2HZ LYS 45 2HZ LYS 45 5.000 13.064 -4.220 368 3HZ LYS 45 3HZ LYS 45 4.131 12.284 -5.450 369 H ARG 46 H ARG 46 9.715 7.643 -3.733 370 HA ARG 46 HA ARG 46 10.367 6.289 -6.277 371 1HB ARG 46 1HB ARG 46 11.710 8.395 -5.937 372 2HB ARG 46 2HB ARG 46 12.381 7.643 -4.488 373 1HG ARG 46 1HG ARG 46 13.621 6.116 -5.682 374 2HG ARG 46 2HG ARG 46 12.453 6.045 -7.003 375 1HD ARG 46 1HD ARG 46 13.213 8.567 -7.346 376 2HD ARG 46 2HD ARG 46 14.665 8.002 -6.528 377 HE ARG 46 HE ARG 46 14.081 6.155 -8.548 378 1HH1 ARG 46 1HH1 ARG 46 14.974 9.528 -8.258 379 2HH1 ARG 46 2HH1 ARG 46 15.782 9.561 -9.788 380 1HH2 ARG 46 1HH2 ARG 46 15.144 6.243 -10.534 381 2HH2 ARG 46 2HH2 ARG 46 15.879 7.720 -11.066 382 H GLY 47 H GLY 47 9.594 5.814 -3.118 383 1HA GLY 47 1HA GLY 47 9.994 4.197 -1.550 384 2HA GLY 47 2HA GLY 47 11.610 4.029 -2.218 385 H ARG 48 H ARG 48 8.587 2.613 -1.856 386 HA ARG 48 HA ARG 48 8.756 0.863 -4.181 387 1HB ARG 48 1HB ARG 48 9.611 0.045 -1.458 388 2HB ARG 48 2HB ARG 48 8.581 -1.091 -2.324 389 1HG ARG 48 1HG ARG 48 10.475 -1.795 -3.345 390 2HG ARG 48 2HG ARG 48 10.388 -0.300 -4.274 391 1HD ARG 48 1HD ARG 48 11.789 0.842 -2.629 392 2HD ARG 48 2HD ARG 48 11.812 -0.596 -1.615 393 HE ARG 48 HE ARG 48 12.797 -1.098 -4.276 394 1HH1 ARG 48 1HH1 ARG 48 13.646 0.121 -1.106 395 2HH1 ARG 48 2HH1 ARG 48 15.330 -0.226 -1.299 396 1HH2 ARG 48 1HH2 ARG 48 15.000 -1.535 -4.485 397 2HH2 ARG 48 2HH2 ARG 48 16.091 -1.156 -3.194 398 H GLN 49 H GLN 49 7.069 -1.091 -3.586 399 HA GLN 49 HA GLN 49 4.562 0.324 -3.025 400 1HB GLN 49 1HB GLN 49 5.306 -2.136 -4.531 401 2HB GLN 49 2HB GLN 49 3.716 -2.104 -3.768 402 1HG GLN 49 1HG GLN 49 3.153 -1.087 -5.752 403 2HG GLN 49 2HG GLN 49 3.687 0.344 -4.871 404 2HE2 GLN 49 2HE2 GLN 49 4.053 -1.154 -7.806 405 1HE2 GLN 49 1HE2 GLN 49 5.606 -0.602 -8.213 406 H VAL 50 H VAL 50 2.953 -0.673 -1.628 407 HA VAL 50 HA VAL 50 3.903 -2.715 0.237 408 HB VAL 50 HB VAL 50 3.027 0.013 1.216 409 1HG1 VAL 50 1HG1 VAL 50 3.732 -2.592 2.549 410 2HG1 VAL 50 2HG1 VAL 50 4.007 -1.066 3.388 411 3HG1 VAL 50 3HG1 VAL 50 2.378 -1.511 2.876 412 1HG2 VAL 50 1HG2 VAL 50 5.739 -1.319 1.046 413 2HG2 VAL 50 2HG2 VAL 50 5.253 0.224 0.343 414 3HG2 VAL 50 3HG2 VAL 50 5.413 0.063 2.091 415 H CYS 51 H CYS 51 2.301 -4.015 0.838 416 HA CYS 51 HA CYS 51 -0.404 -3.490 -0.060 417 1HB CYS 51 1HB CYS 51 1.025 -5.789 1.216 418 2HB CYS 51 2HB CYS 51 -0.732 -5.721 1.331 419 H ALA 52 H ALA 52 -1.842 -2.371 1.104 420 HA ALA 52 HA ALA 52 -1.755 -2.595 4.040 421 1HB ALA 52 1HB ALA 52 -0.801 -0.528 4.046 422 2HB ALA 52 2HB ALA 52 -2.465 -0.001 3.801 423 3HB ALA 52 3HB ALA 52 -1.373 -0.145 2.424 424 H ASP 53 H ASP 53 -3.677 -3.029 4.861 425 HA ASP 53 HA ASP 53 -6.033 -2.925 3.148 426 1HB ASP 53 1HB ASP 53 -5.352 -4.178 5.771 427 2HB ASP 53 2HB ASP 53 -7.047 -3.830 5.433 428 H LYS 54 H LYS 54 -7.667 -1.500 3.315 429 HA LYS 54 HA LYS 54 -7.318 0.976 4.581 430 1HB LYS 54 1HB LYS 54 -9.742 1.332 4.110 431 2HB LYS 54 2HB LYS 54 -8.842 0.748 2.710 432 1HG LYS 54 1HG LYS 54 -9.780 -1.382 2.823 433 2HG LYS 54 2HG LYS 54 -10.149 -1.238 4.542 434 1HD LYS 54 1HD LYS 54 -12.269 -0.902 3.724 435 2HD LYS 54 2HD LYS 54 -11.692 0.761 3.621 436 1HE LYS 54 1HE LYS 54 -12.658 0.250 1.487 437 2HE LYS 54 2HE LYS 54 -10.910 0.220 1.262 438 1HZ LYS 54 1HZ LYS 54 -12.404 -2.234 1.939 439 2HZ LYS 54 2HZ LYS 54 -12.271 -1.708 0.329 440 3HZ LYS 54 3HZ LYS 54 -10.875 -2.087 1.221 441 H SER 55 H SER 55 -8.582 -2.027 5.802 442 HA SER 55 HA SER 55 -10.204 -1.151 7.896 443 1HB SER 55 1HB SER 55 -10.150 -3.482 7.393 444 2HB SER 55 2HB SER 55 -8.416 -3.558 7.667 445 HG SER 55 HG SER 55 -10.451 -3.756 9.431 446 H LYS 56 H LYS 56 -6.727 -1.168 7.586 447 HA LYS 56 HA LYS 56 -6.012 -0.943 10.304 448 1HB LYS 56 1HB LYS 56 -4.617 0.268 7.903 449 2HB LYS 56 2HB LYS 56 -3.903 -0.006 9.493 450 1HG LYS 56 1HG LYS 56 -5.171 -2.320 8.074 451 2HG LYS 56 2HG LYS 56 -3.574 -1.780 7.554 452 1HD LYS 56 1HD LYS 56 -4.268 -2.403 10.436 453 2HD LYS 56 2HD LYS 56 -3.537 -3.571 9.337 454 1HE LYS 56 1HE LYS 56 -1.774 -1.684 8.914 455 2HE LYS 56 2HE LYS 56 -2.366 -1.031 10.441 456 1HZ LYS 56 1HZ LYS 56 -2.010 -3.366 11.333 457 2HZ LYS 56 2HZ LYS 56 -1.090 -3.648 9.933 458 3HZ LYS 56 3HZ LYS 56 -0.623 -2.438 11.031 459 H ASP 57 H ASP 57 -4.669 1.280 10.810 460 HA ASP 57 HA ASP 57 -6.770 3.342 10.862 461 1HB ASP 57 1HB ASP 57 -4.392 2.748 12.598 462 2HB ASP 57 2HB ASP 57 -5.108 4.361 12.593 463 H TRP 58 H TRP 58 -3.206 3.281 10.681 464 HA TRP 58 HA TRP 58 -2.942 5.861 9.608 465 1HB TRP 58 1HB TRP 58 -0.669 5.149 8.887 466 2HB TRP 58 2HB TRP 58 -1.015 4.774 10.571 467 HD1 TRP 58 HD1 TRP 58 -1.469 2.203 11.196 468 HE1 TRP 58 HE1 TRP 58 -0.712 0.028 10.043 469 HE3 TRP 58 HE3 TRP 58 -0.187 4.036 6.609 470 HZ2 TRP 58 HZ2 TRP 58 0.308 -0.828 7.501 471 HZ3 TRP 58 HZ3 TRP 58 0.680 2.527 4.846 472 HH2 TRP 58 HH2 TRP 58 0.925 0.101 5.285 473 H VAL 59 H VAL 59 -3.665 2.809 8.084 474 HA VAL 59 HA VAL 59 -3.092 3.638 5.402 475 HB VAL 59 HB VAL 59 -5.000 1.477 6.328 476 1HG1 VAL 59 1HG1 VAL 59 -3.540 2.008 3.724 477 2HG1 VAL 59 2HG1 VAL 59 -4.378 0.500 4.092 478 3HG1 VAL 59 3HG1 VAL 59 -5.284 2.009 3.981 479 1HG2 VAL 59 1HG2 VAL 59 -2.740 1.196 7.297 480 2HG2 VAL 59 2HG2 VAL 59 -3.069 -0.037 6.081 481 3HG2 VAL 59 3HG2 VAL 59 -2.037 1.337 5.687 482 H LYS 60 H LYS 60 -5.862 3.788 7.542 483 HA LYS 60 HA LYS 60 -7.824 4.483 5.618 484 1HB LYS 60 1HB LYS 60 -8.129 3.756 8.088 485 2HB LYS 60 2HB LYS 60 -7.874 5.460 8.464 486 1HG LYS 60 1HG LYS 60 -9.785 6.137 7.246 487 2HG LYS 60 2HG LYS 60 -9.882 4.601 6.383 488 1HD LYS 60 1HD LYS 60 -10.663 3.445 8.303 489 2HD LYS 60 2HD LYS 60 -10.190 4.759 9.382 490 1HE LYS 60 1HE LYS 60 -11.956 6.153 8.644 491 2HE LYS 60 2HE LYS 60 -12.240 5.171 7.207 492 1HZ LYS 60 1HZ LYS 60 -12.567 4.047 9.917 493 2HZ LYS 60 2HZ LYS 60 -13.826 4.908 9.168 494 3HZ LYS 60 3HZ LYS 60 -13.219 3.492 8.453 495 H LYS 61 H LYS 61 -5.752 6.444 7.741 496 HA LYS 61 HA LYS 61 -6.739 8.971 6.994 497 1HB LYS 61 1HB LYS 61 -4.096 8.036 8.086 498 2HB LYS 61 2HB LYS 61 -4.348 9.726 7.651 499 1HG LYS 61 1HG LYS 61 -6.495 9.570 9.087 500 2HG LYS 61 2HG LYS 61 -5.781 8.097 9.746 501 1HD LYS 61 1HD LYS 61 -3.650 9.714 9.971 502 2HD LYS 61 2HD LYS 61 -4.922 10.932 10.076 503 1HE LYS 61 1HE LYS 61 -5.851 9.981 12.011 504 2HE LYS 61 2HE LYS 61 -5.089 8.416 11.721 505 1HZ LYS 61 1HZ LYS 61 -3.627 10.911 12.394 506 2HZ LYS 61 2HZ LYS 61 -4.011 9.684 13.506 507 3HZ LYS 61 3HZ LYS 61 -2.953 9.365 12.215 508 H LEU 62 H LEU 62 -4.089 7.026 5.654 509 HA LEU 62 HA LEU 62 -3.198 8.892 3.731 510 1HB LEU 62 1HB LEU 62 -3.178 5.879 3.635 511 2HB LEU 62 2HB LEU 62 -2.301 6.920 2.536 512 HG LEU 62 HG LEU 62 -1.796 7.212 5.467 513 1HD1 LEU 62 1HD1 LEU 62 -1.080 4.866 3.739 514 2HD1 LEU 62 2HD1 LEU 62 0.066 5.416 4.961 515 3HD1 LEU 62 3HD1 LEU 62 -1.550 4.896 5.438 516 1HD2 LEU 62 1HD2 LEU 62 -0.169 7.417 2.916 517 2HD2 LEU 62 2HD2 LEU 62 -0.672 8.739 3.969 518 3HD2 LEU 62 3HD2 LEU 62 0.527 7.575 4.529 519 H MET 63 H MET 63 -5.621 6.338 3.616 520 HA MET 63 HA MET 63 -6.297 6.397 0.917 521 1HB MET 63 1HB MET 63 -7.846 5.759 3.403 522 2HB MET 63 2HB MET 63 -8.667 5.805 1.844 523 1HG MET 63 1HG MET 63 -6.491 4.338 1.170 524 2HG MET 63 2HG MET 63 -6.644 3.881 2.865 525 1HE MET 63 1HE MET 63 -7.281 3.455 -0.435 526 2HE MET 63 2HE MET 63 -7.395 1.756 0.011 527 3HE MET 63 3HE MET 63 -8.779 2.575 -0.729 528 H GLN 64 H GLN 64 -7.255 8.559 3.520 529 HA GLN 64 HA GLN 64 -9.055 10.035 1.734 530 1HB GLN 64 1HB GLN 64 -8.567 9.982 4.679 531 2HB GLN 64 2HB GLN 64 -9.192 11.469 3.966 532 1HG GLN 64 1HG GLN 64 -10.970 10.058 2.835 533 2HG GLN 64 2HG GLN 64 -10.425 8.708 3.832 534 2HE2 GLN 64 2HE2 GLN 64 -11.706 12.054 4.077 535 1HE2 GLN 64 1HE2 GLN 64 -12.405 11.835 5.608 536 H GLN 65 H GLN 65 -5.946 10.319 3.321 537 HA GLN 65 HA GLN 65 -5.577 13.109 2.788 538 1HB GLN 65 1HB GLN 65 -3.835 10.864 3.726 539 2HB GLN 65 2HB GLN 65 -3.080 12.354 3.161 540 1HG GLN 65 1HG GLN 65 -5.016 13.388 4.751 541 2HG GLN 65 2HG GLN 65 -4.720 11.865 5.587 542 2HE2 GLN 65 2HE2 GLN 65 -2.394 11.421 6.206 543 1HE2 GLN 65 1HE2 GLN 65 -1.372 12.738 6.524 544 H LEU 66 H LEU 66 -4.956 10.144 1.040 545 HA LEU 66 HA LEU 66 -3.439 11.582 -1.026 546 1HB LEU 66 1HB LEU 66 -4.063 8.640 -0.782 547 2HB LEU 66 2HB LEU 66 -2.964 9.371 -1.927 548 HG LEU 66 HG LEU 66 -2.605 9.281 1.076 549 1HD1 LEU 66 1HD1 LEU 66 -1.372 7.780 -1.240 550 2HD1 LEU 66 2HD1 LEU 66 -0.584 7.886 0.335 551 3HD1 LEU 66 3HD1 LEU 66 -2.163 7.115 0.188 552 1HD2 LEU 66 1HD2 LEU 66 -1.258 10.772 -1.118 553 2HD2 LEU 66 2HD2 LEU 66 -1.405 11.177 0.592 554 3HD2 LEU 66 3HD2 LEU 66 -0.199 10.004 0.064 555 HA PRO 67 HA PRO 67 -6.917 11.699 -3.748 556 1HB PRO 67 1HB PRO 67 -5.732 11.391 -6.197 557 2HB PRO 67 2HB PRO 67 -5.657 12.867 -5.238 558 1HG PRO 67 1HG PRO 67 -3.563 10.829 -5.702 559 2HG PRO 67 2HG PRO 67 -3.398 12.560 -5.369 560 1HD PRO 67 1HD PRO 67 -3.014 10.488 -3.509 561 2HD PRO 67 2HD PRO 67 -3.231 12.208 -3.114 562 H VAL 68 H VAL 68 -4.694 9.313 -5.086 563 HA VAL 68 HA VAL 68 -5.081 6.916 -4.927 564 HB VAL 68 HB VAL 68 -7.519 7.236 -4.259 565 1HG1 VAL 68 1HG1 VAL 68 -7.933 8.565 -6.503 566 2HG1 VAL 68 2HG1 VAL 68 -8.169 6.952 -7.176 567 3HG1 VAL 68 3HG1 VAL 68 -9.194 7.516 -5.857 568 1HG2 VAL 68 1HG2 VAL 68 -6.394 5.051 -4.748 569 2HG2 VAL 68 2HG2 VAL 68 -8.128 5.048 -5.068 570 3HG2 VAL 68 3HG2 VAL 68 -6.986 5.174 -6.404 571 H THR 69 H THR 69 -5.056 5.460 -6.748 572 HA THR 69 HA THR 69 -3.872 6.649 -9.035 573 HB THR 69 HB THR 69 -4.390 4.196 -9.950 574 HG1 THR 69 HG1 THR 69 -5.767 3.810 -8.108 575 1HG2 THR 69 1HG2 THR 69 -2.177 5.244 -9.318 576 2HG2 THR 69 2HG2 THR 69 -2.443 4.650 -7.679 577 3HG2 THR 69 3HG2 THR 69 -2.281 3.509 -9.013 578 H ALA 70 H ALA 70 -7.083 5.329 -8.388 579 HA ALA 70 HA ALA 70 -9.090 5.577 -9.471 580 1HB ALA 70 1HB ALA 70 -7.553 7.944 -10.344 581 2HB ALA 70 2HB ALA 70 -9.191 7.834 -9.706 582 3HB ALA 70 3HB ALA 70 -8.883 7.484 -11.406 583 H ARG 71 H ARG 71 -6.966 6.468 -12.180 584 HA ARG 71 HA ARG 71 -6.623 5.490 -14.234 585 1HB ARG 71 1HB ARG 71 -5.757 3.626 -12.780 586 2HB ARG 71 2HB ARG 71 -7.359 2.894 -12.869 587 1HG ARG 71 1HG ARG 71 -6.940 3.327 -15.496 588 2HG ARG 71 2HG ARG 71 -5.267 3.134 -14.971 589 1HD ARG 71 1HD ARG 71 -7.539 1.174 -14.562 590 2HD ARG 71 2HD ARG 71 -6.124 0.954 -15.586 591 HE ARG 71 HE ARG 71 -5.051 1.361 -13.111 592 1HH1 ARG 71 1HH1 ARG 71 -7.496 -0.812 -14.358 593 2HH1 ARG 71 2HH1 ARG 71 -7.147 -2.050 -13.202 594 1HH2 ARG 71 1HH2 ARG 71 -4.629 -0.280 -11.622 595 2HH2 ARG 71 2HH2 ARG 71 -5.538 -1.753 -11.667 No H/Q in entry = 595 Start of MODEL 21 1 H1 LEU 1 H1 LEU 1 6.505 -23.985 2.492 2 H2 LEU 1 H2 LEU 1 6.978 -22.650 1.559 3 H3 LEU 1 H3 LEU 1 7.597 -24.194 1.207 4 HA LEU 1 HA LEU 1 8.964 -24.234 3.064 5 1HB LEU 1 1HB LEU 1 9.256 -22.272 1.204 6 2HB LEU 1 2HB LEU 1 9.152 -21.295 2.665 7 HG LEU 1 HG LEU 1 11.492 -21.865 2.181 8 1HD1 LEU 1 1HD1 LEU 1 10.444 -21.873 4.585 9 2HD1 LEU 1 2HD1 LEU 1 10.747 -23.609 4.514 10 3HD1 LEU 1 3HD1 LEU 1 12.087 -22.473 4.357 11 1HD2 LEU 1 1HD2 LEU 1 10.683 -24.125 1.086 12 2HD2 LEU 1 2HD2 LEU 1 12.269 -24.038 1.853 13 3HD2 LEU 1 3HD2 LEU 1 10.912 -24.764 2.714 14 H GLY 2 H GLY 2 7.276 -21.101 3.333 15 1HA GLY 2 1HA GLY 2 7.459 -20.203 5.741 16 2HA GLY 2 2HA GLY 2 6.675 -21.724 6.157 17 H ALA 3 H ALA 3 4.519 -22.100 5.429 18 HA ALA 3 HA ALA 3 2.328 -21.500 5.075 19 1HB ALA 3 1HB ALA 3 3.005 -18.620 5.560 20 2HB ALA 3 2HB ALA 3 3.111 -19.771 6.892 21 3HB ALA 3 3HB ALA 3 1.578 -19.532 6.055 22 H SER 4 H SER 4 4.225 -21.486 2.875 23 HA SER 4 HA SER 4 4.287 -20.945 0.641 24 1HB SER 4 1HB SER 4 1.678 -21.255 1.154 25 2HB SER 4 2HB SER 4 1.665 -19.540 0.755 26 HG SER 4 HG SER 4 1.429 -21.117 -1.032 27 H TRP 5 H TRP 5 5.941 -19.444 0.753 28 HA TRP 5 HA TRP 5 5.077 -16.641 0.479 29 1HB TRP 5 1HB TRP 5 5.950 -17.117 2.827 30 2HB TRP 5 2HB TRP 5 7.521 -17.404 2.079 31 HD1 TRP 5 HD1 TRP 5 5.216 -14.677 3.184 32 HE1 TRP 5 HE1 TRP 5 6.248 -12.379 2.639 33 HE3 TRP 5 HE3 TRP 5 9.097 -16.138 0.205 34 HZ2 TRP 5 HZ2 TRP 5 8.433 -11.303 1.138 35 HZ3 TRP 5 HZ3 TRP 5 10.637 -14.458 -0.768 36 HH2 TRP 5 HH2 TRP 5 10.310 -12.045 -0.306 37 H HIS 6 H HIS 6 5.741 -15.961 -1.438 38 HA HIS 6 HA HIS 6 8.428 -16.007 -2.290 39 1HB HIS 6 1HB HIS 6 7.640 -18.478 -2.606 40 2HB HIS 6 2HB HIS 6 6.778 -17.837 -4.004 41 HD1 HIS 6 HD1 HIS 6 9.232 -19.772 -4.293 42 HD2 HIS 6 HD2 HIS 6 9.448 -15.615 -4.524 43 HE1 HIS 6 HE1 HIS 6 11.331 -19.235 -5.606 44 H ARG 7 H ARG 7 8.217 -13.950 -2.979 45 HA ARG 7 HA ARG 7 7.632 -12.176 -4.320 46 1HB ARG 7 1HB ARG 7 7.088 -14.556 -6.027 47 2HB ARG 7 2HB ARG 7 6.414 -13.012 -6.550 48 1HG ARG 7 1HG ARG 7 8.585 -11.977 -6.569 49 2HG ARG 7 2HG ARG 7 9.319 -13.371 -5.774 50 1HD ARG 7 1HD ARG 7 7.955 -13.550 -8.466 51 2HD ARG 7 2HD ARG 7 9.677 -13.229 -8.290 52 HE ARG 7 HE ARG 7 9.117 -15.516 -6.785 53 1HH1 ARG 7 1HH1 ARG 7 8.995 -14.505 -10.135 54 2HH1 ARG 7 2HH1 ARG 7 9.284 -16.099 -10.744 55 1HH2 ARG 7 1HH2 ARG 7 9.490 -17.577 -7.622 56 2HH2 ARG 7 2HH2 ARG 7 9.561 -17.824 -9.335 57 HA PRO 8 HA PRO 8 3.371 -11.329 -3.517 58 1HB PRO 8 1HB PRO 8 2.833 -9.335 -5.305 59 2HB PRO 8 2HB PRO 8 3.848 -9.120 -3.872 60 1HG PRO 8 1HG PRO 8 4.633 -9.295 -6.718 61 2HG PRO 8 2HG PRO 8 5.467 -8.519 -5.363 62 1HD PRO 8 1HD PRO 8 6.095 -11.040 -6.527 63 2HD PRO 8 2HD PRO 8 6.780 -10.356 -5.034 64 H ASP 9 H ASP 9 1.157 -11.369 -4.333 65 HA ASP 9 HA ASP 9 0.865 -12.728 -6.946 66 1HB ASP 9 1HB ASP 9 -0.161 -13.532 -4.257 67 2HB ASP 9 2HB ASP 9 -1.181 -13.831 -5.665 68 H LYS 10 H LYS 10 0.581 -9.925 -6.285 69 HA LYS 10 HA LYS 10 -0.814 -8.192 -6.860 70 1HB LYS 10 1HB LYS 10 -1.547 -9.749 -8.715 71 2HB LYS 10 2HB LYS 10 -2.871 -10.254 -7.664 72 1HG LYS 10 1HG LYS 10 -3.998 -8.280 -7.905 73 2HG LYS 10 2HG LYS 10 -2.517 -7.323 -7.949 74 1HD LYS 10 1HD LYS 10 -3.117 -7.113 -10.157 75 2HD LYS 10 2HD LYS 10 -2.221 -8.628 -10.276 76 1HE LYS 10 1HE LYS 10 -4.308 -9.901 -10.032 77 2HE LYS 10 2HE LYS 10 -5.218 -8.400 -9.864 78 1HZ LYS 10 1HZ LYS 10 -3.508 -8.832 -12.221 79 2HZ LYS 10 2HZ LYS 10 -5.056 -9.528 -12.162 80 3HZ LYS 10 3HZ LYS 10 -4.881 -7.845 -12.058 81 H CYS 11 H CYS 11 -3.031 -10.732 -5.715 82 HA CYS 11 HA CYS 11 -4.735 -9.083 -4.251 83 1HB CYS 11 1HB CYS 11 -4.003 -11.942 -3.577 84 2HB CYS 11 2HB CYS 11 -5.463 -11.088 -3.081 85 H CYS 12 H CYS 12 -1.620 -10.430 -3.397 86 HA CYS 12 HA CYS 12 -0.221 -10.064 -1.612 87 1HB CYS 12 1HB CYS 12 -1.143 -7.626 -2.193 88 2HB CYS 12 2HB CYS 12 -1.873 -7.800 -0.598 89 H LEU 13 H LEU 13 -0.294 -11.548 -0.069 90 HA LEU 13 HA LEU 13 -2.726 -11.992 1.472 91 1HB LEU 13 1HB LEU 13 -0.104 -13.365 1.943 92 2HB LEU 13 2HB LEU 13 -1.722 -13.955 2.262 93 HG LEU 13 HG LEU 13 -0.834 -13.442 -0.563 94 1HD1 LEU 13 1HD1 LEU 13 -0.016 -15.652 1.283 95 2HD1 LEU 13 2HD1 LEU 13 -0.376 -16.055 -0.396 96 3HD1 LEU 13 3HD1 LEU 13 0.894 -14.889 -0.021 97 1HD2 LEU 13 1HD2 LEU 13 -3.216 -13.916 -0.069 98 2HD2 LEU 13 2HD2 LEU 13 -2.485 -15.220 -1.004 99 3HD2 LEU 13 3HD2 LEU 13 -2.745 -15.417 0.729 100 H GLY 14 H GLY 14 0.483 -10.645 1.890 101 1HA GLY 14 1HA GLY 14 1.505 -10.144 4.029 102 2HA GLY 14 2HA GLY 14 -0.106 -10.115 4.739 103 H TYR 15 H TYR 15 0.511 -8.016 5.590 104 HA TYR 15 HA TYR 15 0.576 -5.850 3.587 105 1HB TYR 15 1HB TYR 15 -1.261 -5.993 5.991 106 2HB TYR 15 2HB TYR 15 -1.024 -4.559 4.993 107 HD1 TYR 15 HD1 TYR 15 -2.020 -8.159 4.803 108 HD2 TYR 15 HD2 TYR 15 -2.265 -4.263 3.015 109 HE1 TYR 15 HE1 TYR 15 -3.693 -9.009 3.182 110 HE2 TYR 15 HE2 TYR 15 -3.938 -5.111 1.393 111 HH TYR 15 HH TYR 15 -5.563 -8.007 1.776 112 H GLN 16 H GLN 16 0.987 -3.686 4.780 113 HA GLN 16 HA GLN 16 3.480 -3.920 6.132 114 1HB GLN 16 1HB GLN 16 2.410 -1.908 4.759 115 2HB GLN 16 2HB GLN 16 1.891 -1.408 6.364 116 1HG GLN 16 1HG GLN 16 4.025 -0.393 6.025 117 2HG GLN 16 2HG GLN 16 4.302 -1.751 7.113 118 2HE2 GLN 16 2HE2 GLN 16 6.399 -0.688 5.467 119 1HE2 GLN 16 1HE2 GLN 16 6.820 -1.867 4.321 120 H LYS 17 H LYS 17 3.777 -4.507 8.159 121 HA LYS 17 HA LYS 17 1.636 -4.422 10.096 122 1HB LYS 17 1HB LYS 17 3.561 -6.167 9.901 123 2HB LYS 17 2HB LYS 17 4.507 -4.972 10.789 124 1HG LYS 17 1HG LYS 17 2.305 -4.949 12.318 125 2HG LYS 17 2HG LYS 17 2.173 -6.592 11.691 126 1HD LYS 17 1HD LYS 17 4.780 -5.581 12.811 127 2HD LYS 17 2HD LYS 17 3.532 -6.228 13.876 128 1HE LYS 17 1HE LYS 17 4.620 -8.198 13.422 129 2HE LYS 17 2HE LYS 17 3.549 -8.177 12.021 130 1HZ LYS 17 1HZ LYS 17 6.233 -6.927 11.981 131 2HZ LYS 17 2HZ LYS 17 5.985 -8.557 11.569 132 3HZ LYS 17 3HZ LYS 17 5.242 -7.326 10.663 133 H ARG 18 H ARG 18 3.975 -2.182 9.029 134 HA ARG 18 HA ARG 18 3.683 -0.642 11.537 135 1HB ARG 18 1HB ARG 18 6.011 -0.785 9.613 136 2HB ARG 18 2HB ARG 18 5.843 0.481 10.831 137 1HG ARG 18 1HG ARG 18 5.607 -1.378 12.556 138 2HG ARG 18 2HG ARG 18 6.112 -2.497 11.290 139 1HD ARG 18 1HD ARG 18 8.134 -0.953 10.957 140 2HD ARG 18 2HD ARG 18 7.678 -0.210 12.487 141 HE ARG 18 HE ARG 18 7.872 -3.068 12.696 142 1HH1 ARG 18 1HH1 ARG 18 9.742 -0.109 12.630 143 2HH1 ARG 18 2HH1 ARG 18 11.052 -0.783 13.536 144 1HH2 ARG 18 1HH2 ARG 18 9.603 -3.906 13.874 145 2HH2 ARG 18 2HH2 ARG 18 10.975 -2.915 14.236 146 HA PRO 19 HA PRO 19 1.880 2.453 8.948 147 1HB PRO 19 1HB PRO 19 2.204 4.646 10.544 148 2HB PRO 19 2HB PRO 19 1.027 3.363 10.860 149 1HG PRO 19 1HG PRO 19 3.554 3.965 12.256 150 2HG PRO 19 2HG PRO 19 2.126 3.095 12.833 151 1HD PRO 19 1HD PRO 19 4.586 1.955 11.927 152 2HD PRO 19 2HD PRO 19 3.095 1.088 12.361 153 H LEU 20 H LEU 20 2.492 3.687 7.255 154 HA LEU 20 HA LEU 20 5.281 4.639 7.173 155 1HB LEU 20 1HB LEU 20 3.530 4.704 4.770 156 2HB LEU 20 2HB LEU 20 5.252 4.417 4.888 157 HG LEU 20 HG LEU 20 3.025 2.453 5.464 158 1HD1 LEU 20 1HD1 LEU 20 3.978 3.094 3.069 159 2HD1 LEU 20 2HD1 LEU 20 5.293 2.025 3.556 160 3HD1 LEU 20 3HD1 LEU 20 3.640 1.415 3.485 161 1HD2 LEU 20 1HD2 LEU 20 5.864 2.522 6.305 162 2HD2 LEU 20 2HD2 LEU 20 4.512 1.615 6.980 163 3HD2 LEU 20 3HD2 LEU 20 5.351 1.014 5.551 164 HA PRO 21 HA PRO 21 3.731 8.800 7.303 165 1HB PRO 21 1HB PRO 21 5.982 10.122 6.494 166 2HB PRO 21 2HB PRO 21 5.795 9.390 8.098 167 1HG PRO 21 1HG PRO 21 7.434 8.490 5.809 168 2HG PRO 21 2HG PRO 21 7.630 8.159 7.536 169 1HD PRO 21 1HD PRO 21 6.519 6.411 5.568 170 2HD PRO 21 2HD PRO 21 6.566 6.153 7.328 171 H GLN 22 H GLN 22 2.525 9.995 5.934 172 HA GLN 22 HA GLN 22 2.560 9.526 3.110 173 1HB GLN 22 1HB GLN 22 0.565 10.208 4.592 174 2HB GLN 22 2HB GLN 22 1.192 11.850 4.446 175 1HG GLN 22 1HG GLN 22 0.972 10.301 1.919 176 2HG GLN 22 2HG GLN 22 -0.547 10.782 2.673 177 2HE2 GLN 22 2HE2 GLN 22 -0.140 13.270 3.663 178 1HE2 GLN 22 1HE2 GLN 22 0.396 14.345 2.463 179 H VAL 23 H VAL 23 4.466 11.497 5.102 180 HA VAL 23 HA VAL 23 4.799 13.870 3.730 181 HB VAL 23 HB VAL 23 5.815 13.354 5.918 182 1HG1 VAL 23 1HG1 VAL 23 6.631 11.023 4.833 183 2HG1 VAL 23 2HG1 VAL 23 8.114 11.961 4.651 184 3HG1 VAL 23 3HG1 VAL 23 7.402 11.738 6.249 185 1HG2 VAL 23 1HG2 VAL 23 6.753 15.068 4.138 186 2HG2 VAL 23 2HG2 VAL 23 7.651 14.743 5.621 187 3HG2 VAL 23 3HG2 VAL 23 8.128 13.963 4.112 188 H LEU 24 H LEU 24 5.801 10.676 2.764 189 HA LEU 24 HA LEU 24 7.119 11.888 0.414 190 1HB LEU 24 1HB LEU 24 8.907 10.414 0.455 191 2HB LEU 24 2HB LEU 24 8.720 10.906 2.119 192 HG LEU 24 HG LEU 24 9.172 8.620 2.262 193 1HD1 LEU 24 1HD1 LEU 24 7.055 9.298 3.467 194 2HD1 LEU 24 2HD1 LEU 24 6.150 8.609 2.119 195 3HD1 LEU 24 3HD1 LEU 24 7.184 7.577 3.106 196 1HD2 LEU 24 1HD2 LEU 24 8.586 8.465 -0.345 197 2HD2 LEU 24 2HD2 LEU 24 8.670 7.029 0.677 198 3HD2 LEU 24 3HD2 LEU 24 7.106 7.749 0.295 199 H LEU 25 H LEU 25 4.533 10.066 1.357 200 HA LEU 25 HA LEU 25 4.609 7.986 -0.608 201 1HB LEU 25 1HB LEU 25 3.118 8.376 1.581 202 2HB LEU 25 2HB LEU 25 2.015 9.022 0.390 203 HG LEU 25 HG LEU 25 1.927 6.895 -0.760 204 1HD1 LEU 25 1HD1 LEU 25 4.306 6.355 0.934 205 2HD1 LEU 25 2HD1 LEU 25 3.200 5.000 0.705 206 3HD1 LEU 25 3HD1 LEU 25 3.932 5.788 -0.693 207 1HD2 LEU 25 1HD2 LEU 25 1.565 6.925 2.223 208 2HD2 LEU 25 2HD2 LEU 25 0.339 6.899 0.955 209 3HD2 LEU 25 3HD2 LEU 25 1.256 5.438 1.325 210 H SER 26 H SER 26 2.782 7.859 -2.277 211 HA SER 26 HA SER 26 2.506 10.486 -3.620 212 1HB SER 26 1HB SER 26 4.053 8.524 -4.602 213 2HB SER 26 2HB SER 26 2.506 8.015 -5.272 214 HG SER 26 HG SER 26 3.965 9.697 -6.387 215 H SER 27 H SER 27 1.199 7.186 -4.015 216 HA SER 27 HA SER 27 -1.496 8.068 -3.425 217 1HB SER 27 1HB SER 27 -1.286 6.890 -6.135 218 2HB SER 27 2HB SER 27 -2.427 8.073 -5.508 219 HG SER 27 HG SER 27 -1.140 9.612 -6.139 220 H TRP 28 H TRP 28 -2.933 6.034 -4.574 221 HA TRP 28 HA TRP 28 -1.609 3.509 -3.884 222 1HB TRP 28 1HB TRP 28 -3.567 2.858 -2.450 223 2HB TRP 28 2HB TRP 28 -2.555 4.123 -1.756 224 HD1 TRP 28 HD1 TRP 28 -3.508 6.611 -1.745 225 HE1 TRP 28 HE1 TRP 28 -5.914 7.525 -1.888 226 HE3 TRP 28 HE3 TRP 28 -5.935 2.461 -3.485 227 HZ2 TRP 28 HZ2 TRP 28 -8.518 6.615 -2.636 228 HZ3 TRP 28 HZ3 TRP 28 -8.372 2.517 -3.907 229 HH2 TRP 28 HH2 TRP 28 -9.668 4.587 -3.485 230 H TYR 29 H TYR 29 -2.386 1.776 -4.999 231 HA TYR 29 HA TYR 29 -4.716 2.291 -6.745 232 1HB TYR 29 1HB TYR 29 -3.733 1.047 -8.504 233 2HB TYR 29 2HB TYR 29 -2.451 2.090 -7.907 234 HD1 TYR 29 HD1 TYR 29 -3.700 -1.364 -8.113 235 HD2 TYR 29 HD2 TYR 29 -0.534 1.157 -6.670 236 HE1 TYR 29 HE1 TYR 29 -2.280 -3.360 -7.741 237 HE2 TYR 29 HE2 TYR 29 0.885 -0.841 -6.301 238 HH TYR 29 HH TYR 29 0.438 -3.688 -7.648 239 HA PRO 30 HA PRO 30 -6.453 -1.225 -4.680 240 1HB PRO 30 1HB PRO 30 -8.582 -1.679 -6.333 241 2HB PRO 30 2HB PRO 30 -8.501 -0.341 -5.176 242 1HG PRO 30 1HG PRO 30 -8.253 -0.292 -8.123 243 2HG PRO 30 2HG PRO 30 -8.771 0.985 -7.013 244 1HD PRO 30 1HD PRO 30 -6.217 0.739 -8.239 245 2HD PRO 30 2HD PRO 30 -6.672 1.877 -6.948 246 H THR 31 H THR 31 -6.660 -3.483 -4.818 247 HA THR 31 HA THR 31 -5.449 -4.694 -7.227 248 HB THR 31 HB THR 31 -4.152 -5.018 -5.158 249 HG1 THR 31 HG1 THR 31 -4.211 -7.356 -5.228 250 1HG2 THR 31 1HG2 THR 31 -6.683 -5.287 -3.965 251 2HG2 THR 31 2HG2 THR 31 -5.948 -6.888 -3.859 252 3HG2 THR 31 3HG2 THR 31 -5.116 -5.488 -3.181 253 H SER 32 H SER 32 -6.136 -7.294 -6.940 254 HA SER 32 HA SER 32 -8.741 -7.423 -7.989 255 1HB SER 32 1HB SER 32 -6.749 -9.415 -7.027 256 2HB SER 32 2HB SER 32 -8.416 -9.954 -7.202 257 HG SER 32 HG SER 32 -7.499 -10.231 -9.174 258 H GLN 33 H GLN 33 -10.675 -8.244 -7.127 259 HA GLN 33 HA GLN 33 -10.948 -7.806 -4.228 260 1HB GLN 33 1HB GLN 33 -12.765 -7.524 -6.568 261 2HB GLN 33 2HB GLN 33 -13.490 -8.012 -5.036 262 1HG GLN 33 1HG GLN 33 -11.659 -5.618 -5.347 263 2HG GLN 33 2HG GLN 33 -13.421 -5.520 -5.372 264 2HE2 GLN 33 2HE2 GLN 33 -11.138 -4.721 -3.321 265 1HE2 GLN 33 1HE2 GLN 33 -11.774 -5.269 -1.845 266 H LEU 34 H LEU 34 -11.309 -10.213 -6.736 267 HA LEU 34 HA LEU 34 -12.666 -12.094 -4.983 268 1HB LEU 34 1HB LEU 34 -11.532 -12.463 -7.756 269 2HB LEU 34 2HB LEU 34 -12.493 -13.641 -6.892 270 HG LEU 34 HG LEU 34 -13.943 -12.598 -8.462 271 1HD1 LEU 34 1HD1 LEU 34 -14.606 -12.721 -5.902 272 2HD1 LEU 34 2HD1 LEU 34 -14.603 -10.964 -6.038 273 3HD1 LEU 34 3HD1 LEU 34 -15.669 -11.925 -7.063 274 1HD2 LEU 34 1HD2 LEU 34 -12.293 -10.541 -8.563 275 2HD2 LEU 34 2HD2 LEU 34 -13.996 -10.324 -8.963 276 3HD2 LEU 34 3HD2 LEU 34 -13.397 -9.855 -7.372 277 H CYS 35 H CYS 35 -10.578 -11.566 -3.573 278 HA CYS 35 HA CYS 35 -8.688 -13.794 -4.055 279 1HB CYS 35 1HB CYS 35 -8.020 -11.143 -2.750 280 2HB CYS 35 2HB CYS 35 -6.904 -12.470 -3.068 281 H SER 36 H SER 36 -7.544 -14.425 -1.975 282 HA SER 36 HA SER 36 -9.452 -15.250 -0.065 283 1HB SER 36 1HB SER 36 -6.436 -15.163 -0.007 284 2HB SER 36 2HB SER 36 -7.388 -15.793 1.336 285 HG SER 36 HG SER 36 -6.916 -16.839 -1.180 286 H LYS 37 H LYS 37 -7.281 -12.500 -0.220 287 HA LYS 37 HA LYS 37 -8.812 -11.003 1.663 288 1HB LYS 37 1HB LYS 37 -7.032 -10.758 3.391 289 2HB LYS 37 2HB LYS 37 -7.701 -12.389 3.324 290 1HG LYS 37 1HG LYS 37 -5.720 -12.750 1.583 291 2HG LYS 37 2HG LYS 37 -5.004 -11.410 2.480 292 1HD LYS 37 1HD LYS 37 -5.260 -12.629 4.580 293 2HD LYS 37 2HD LYS 37 -6.077 -13.948 3.743 294 1HE LYS 37 1HE LYS 37 -4.001 -14.237 2.339 295 2HE LYS 37 2HE LYS 37 -3.201 -13.066 3.388 296 1HZ LYS 37 1HZ LYS 37 -4.504 -15.545 4.369 297 2HZ LYS 37 2HZ LYS 37 -2.847 -15.424 4.026 298 3HZ LYS 37 3HZ LYS 37 -3.530 -14.474 5.258 299 HA PRO 38 HA PRO 38 -5.987 -8.634 -1.145 300 1HB PRO 38 1HB PRO 38 -7.924 -7.379 -2.603 301 2HB PRO 38 2HB PRO 38 -7.259 -8.967 -3.014 302 1HG PRO 38 1HG PRO 38 -9.902 -8.277 -1.884 303 2HG PRO 38 2HG PRO 38 -9.412 -9.694 -2.821 304 1HD PRO 38 1HD PRO 38 -9.775 -9.556 0.004 305 2HD PRO 38 2HD PRO 38 -9.097 -10.917 -0.921 306 H GLY 39 H GLY 39 -5.845 -6.245 -1.482 307 1HA GLY 39 1HA GLY 39 -5.791 -4.713 0.724 308 2HA GLY 39 2HA GLY 39 -7.474 -4.547 0.230 309 H VAL 40 H VAL 40 -4.605 -3.046 0.079 310 HA VAL 40 HA VAL 40 -4.708 -2.194 -2.709 311 HB VAL 40 HB VAL 40 -5.084 -0.170 -0.490 312 1HG1 VAL 40 1HG1 VAL 40 -3.921 0.240 -2.880 313 2HG1 VAL 40 2HG1 VAL 40 -5.611 0.410 -3.354 314 3HG1 VAL 40 3HG1 VAL 40 -4.938 1.448 -2.097 315 1HG2 VAL 40 1HG2 VAL 40 -7.031 -1.392 -2.457 316 2HG2 VAL 40 2HG2 VAL 40 -7.145 -1.388 -0.697 317 3HG2 VAL 40 3HG2 VAL 40 -7.349 0.114 -1.598 318 H ILE 41 H ILE 41 -2.783 -1.514 -3.445 319 HA ILE 41 HA ILE 41 -0.549 -1.511 -1.529 320 HB ILE 41 HB ILE 41 -0.697 -1.952 -4.516 321 1HG1 ILE 41 1HG1 ILE 41 0.532 -4.081 -3.703 322 2HG1 ILE 41 2HG1 ILE 41 -0.015 -3.606 -2.095 323 1HG2 ILE 41 1HG2 ILE 41 1.701 -1.403 -2.768 324 2HG2 ILE 41 2HG2 ILE 41 1.845 -2.419 -4.202 325 3HG2 ILE 41 3HG2 ILE 41 1.325 -0.740 -4.360 326 1HD1 ILE 41 1HD1 ILE 41 -1.996 -3.671 -4.347 327 2HD1 ILE 41 2HD1 ILE 41 -1.519 -5.185 -3.579 328 3HD1 ILE 41 3HD1 ILE 41 -2.264 -3.905 -2.620 329 H PHE 42 H PHE 42 0.760 0.226 -1.271 330 HA PHE 42 HA PHE 42 -0.163 2.759 -2.441 331 1HB PHE 42 1HB PHE 42 1.438 2.004 -0.024 332 2HB PHE 42 2HB PHE 42 1.654 3.608 -0.724 333 HD1 PHE 42 HD1 PHE 42 -0.713 1.318 0.925 334 HD2 PHE 42 HD2 PHE 42 -0.147 5.244 -0.718 335 HE1 PHE 42 HE1 PHE 42 -2.803 2.078 2.018 336 HE2 PHE 42 HE2 PHE 42 -2.237 6.004 0.376 337 HZ PHE 42 HZ PHE 42 -3.564 4.420 1.748 338 H LEU 43 H LEU 43 1.319 4.246 -3.364 339 HA LEU 43 HA LEU 43 3.835 3.028 -4.343 340 1HB LEU 43 1HB LEU 43 1.698 4.537 -5.770 341 2HB LEU 43 2HB LEU 43 3.354 4.792 -6.272 342 HG LEU 43 HG LEU 43 3.592 2.469 -6.875 343 1HD1 LEU 43 1HD1 LEU 43 0.926 2.202 -5.485 344 2HD1 LEU 43 2HD1 LEU 43 1.454 1.021 -6.683 345 3HD1 LEU 43 3HD1 LEU 43 2.402 1.273 -5.218 346 1HD2 LEU 43 1HD2 LEU 43 0.927 3.590 -7.792 347 2HD2 LEU 43 2HD2 LEU 43 2.497 3.931 -8.518 348 3HD2 LEU 43 3HD2 LEU 43 1.819 2.304 -8.604 349 H THR 44 H THR 44 5.275 4.013 -2.946 350 HA THR 44 HA THR 44 5.050 6.705 -2.067 351 HB THR 44 HB THR 44 7.384 6.459 -1.346 352 HG1 THR 44 HG1 THR 44 7.254 4.023 -2.791 353 1HG2 THR 44 1HG2 THR 44 5.414 4.248 -0.892 354 2HG2 THR 44 2HG2 THR 44 7.030 4.105 -0.201 355 3HG2 THR 44 3HG2 THR 44 6.001 5.469 0.236 356 H LYS 45 H LYS 45 6.696 8.410 -2.591 357 HA LYS 45 HA LYS 45 6.571 9.129 -5.303 358 1HB LYS 45 1HB LYS 45 8.362 10.077 -3.062 359 2HB LYS 45 2HB LYS 45 8.401 10.786 -4.677 360 1HG LYS 45 1HG LYS 45 6.300 11.725 -4.469 361 2HG LYS 45 2HG LYS 45 5.740 10.483 -3.350 362 1HD LYS 45 1HD LYS 45 6.012 12.202 -1.844 363 2HD LYS 45 2HD LYS 45 7.656 11.565 -1.817 364 1HE LYS 45 1HE LYS 45 8.009 13.856 -2.178 365 2HE LYS 45 2HE LYS 45 8.058 13.201 -3.814 366 1HZ LYS 45 1HZ LYS 45 5.685 13.746 -4.021 367 2HZ LYS 45 2HZ LYS 45 5.726 14.473 -2.489 368 3HZ LYS 45 3HZ LYS 45 6.646 15.123 -3.760 369 H ARG 46 H ARG 46 9.402 8.042 -3.432 370 HA ARG 46 HA ARG 46 10.521 6.903 -5.920 371 1HB ARG 46 1HB ARG 46 11.599 9.092 -5.281 372 2HB ARG 46 2HB ARG 46 12.148 8.298 -3.803 373 1HG ARG 46 1HG ARG 46 13.586 6.860 -4.946 374 2HG ARG 46 2HG ARG 46 12.691 7.006 -6.458 375 1HD ARG 46 1HD ARG 46 13.514 9.237 -6.819 376 2HD ARG 46 2HD ARG 46 14.215 9.300 -5.206 377 HE ARG 46 HE ARG 46 15.460 7.163 -6.385 378 1HH1 ARG 46 1HH1 ARG 46 15.018 10.526 -7.252 379 2HH1 ARG 46 2HH1 ARG 46 16.507 10.612 -8.129 380 1HH2 ARG 46 1HH2 ARG 46 17.394 7.321 -7.537 381 2HH2 ARG 46 2HH2 ARG 46 17.842 8.815 -8.290 382 H GLY 47 H GLY 47 9.388 6.150 -2.928 383 1HA GLY 47 1HA GLY 47 9.844 4.531 -1.350 384 2HA GLY 47 2HA GLY 47 11.484 4.435 -1.979 385 H ARG 48 H ARG 48 8.517 2.887 -1.740 386 HA ARG 48 HA ARG 48 8.799 1.257 -4.141 387 1HB ARG 48 1HB ARG 48 9.765 0.397 -1.493 388 2HB ARG 48 2HB ARG 48 8.690 -0.757 -2.275 389 1HG ARG 48 1HG ARG 48 10.804 0.471 -3.976 390 2HG ARG 48 2HG ARG 48 11.335 -0.696 -2.765 391 1HD ARG 48 1HD ARG 48 10.880 -2.033 -4.649 392 2HD ARG 48 2HD ARG 48 9.430 -2.195 -3.665 393 HE ARG 48 HE ARG 48 9.262 -0.046 -5.585 394 1HH1 ARG 48 1HH1 ARG 48 8.849 -3.487 -5.091 395 2HH1 ARG 48 2HH1 ARG 48 7.722 -3.653 -6.393 396 1HH2 ARG 48 1HH2 ARG 48 7.789 -0.308 -7.273 397 2HH2 ARG 48 2HH2 ARG 48 7.126 -1.870 -7.618 398 H GLN 49 H GLN 49 7.226 -0.846 -3.566 399 HA GLN 49 HA GLN 49 4.629 0.417 -3.117 400 1HB GLN 49 1HB GLN 49 5.560 -2.099 -4.425 401 2HB GLN 49 2HB GLN 49 3.925 -2.053 -3.771 402 1HG GLN 49 1HG GLN 49 3.197 -0.549 -5.330 403 2HG GLN 49 2HG GLN 49 4.734 0.315 -5.363 404 2HE2 GLN 49 2HE2 GLN 49 5.101 0.256 -7.640 405 1HE2 GLN 49 1HE2 GLN 49 5.311 -1.190 -8.504 406 H VAL 50 H VAL 50 3.076 -0.469 -1.661 407 HA VAL 50 HA VAL 50 3.987 -2.455 0.281 408 HB VAL 50 HB VAL 50 3.208 0.353 1.122 409 1HG1 VAL 50 1HG1 VAL 50 3.757 -2.194 2.656 410 2HG1 VAL 50 2HG1 VAL 50 3.938 -0.604 3.401 411 3HG1 VAL 50 3HG1 VAL 50 2.366 -1.117 2.788 412 1HG2 VAL 50 1HG2 VAL 50 5.820 -1.172 1.136 413 2HG2 VAL 50 2HG2 VAL 50 5.477 0.375 0.361 414 3HG2 VAL 50 3HG2 VAL 50 5.551 0.267 2.120 415 H CYS 51 H CYS 51 2.360 -3.724 0.869 416 HA CYS 51 HA CYS 51 -0.325 -3.192 -0.067 417 1HB CYS 51 1HB CYS 51 0.791 -5.428 1.649 418 2HB CYS 51 2HB CYS 51 -0.855 -5.368 1.020 419 H ALA 52 H ALA 52 -1.923 -2.244 1.068 420 HA ALA 52 HA ALA 52 -1.587 -2.023 4.001 421 1HB ALA 52 1HB ALA 52 -1.214 0.104 2.429 422 2HB ALA 52 2HB ALA 52 -2.972 0.171 2.550 423 3HB ALA 52 3HB ALA 52 -1.985 0.231 4.011 424 H ASP 53 H ASP 53 -3.299 -2.532 5.188 425 HA ASP 53 HA ASP 53 -5.805 -3.201 3.785 426 1HB ASP 53 1HB ASP 53 -4.447 -4.223 6.231 427 2HB ASP 53 2HB ASP 53 -6.210 -4.199 6.242 428 H LYS 54 H LYS 54 -7.578 -2.011 4.092 429 HA LYS 54 HA LYS 54 -7.541 0.466 5.386 430 1HB LYS 54 1HB LYS 54 -9.888 -1.292 4.643 431 2HB LYS 54 2HB LYS 54 -10.038 0.379 5.188 432 1HG LYS 54 1HG LYS 54 -9.162 1.239 3.242 433 2HG LYS 54 2HG LYS 54 -8.121 -0.159 2.969 434 1HD LYS 54 1HD LYS 54 -10.433 -1.409 2.641 435 2HD LYS 54 2HD LYS 54 -11.011 0.216 2.274 436 1HE LYS 54 1HE LYS 54 -8.804 0.259 0.771 437 2HE LYS 54 2HE LYS 54 -9.065 -1.486 0.781 438 1HZ LYS 54 1HZ LYS 54 -11.478 -0.842 0.216 439 2HZ LYS 54 2HZ LYS 54 -10.812 0.644 -0.261 440 3HZ LYS 54 3HZ LYS 54 -10.307 -0.793 -1.014 441 H SER 55 H SER 55 -8.050 -2.704 6.696 442 HA SER 55 HA SER 55 -9.614 -2.167 8.946 443 1HB SER 55 1HB SER 55 -7.334 -4.020 9.317 444 2HB SER 55 2HB SER 55 -9.042 -4.254 9.663 445 HG SER 55 HG SER 55 -8.932 -5.388 7.879 446 H LYS 56 H LYS 56 -6.241 -1.498 8.310 447 HA LYS 56 HA LYS 56 -5.458 -0.949 10.995 448 1HB LYS 56 1HB LYS 56 -4.322 -0.461 8.287 449 2HB LYS 56 2HB LYS 56 -3.725 0.551 9.603 450 1HG LYS 56 1HG LYS 56 -3.892 -2.456 9.849 451 2HG LYS 56 2HG LYS 56 -2.467 -1.648 9.194 452 1HD LYS 56 1HD LYS 56 -2.200 -0.367 11.256 453 2HD LYS 56 2HD LYS 56 -3.681 -1.064 11.911 454 1HE LYS 56 1HE LYS 56 -2.544 -3.354 11.528 455 2HE LYS 56 2HE LYS 56 -1.048 -2.433 11.366 456 1HZ LYS 56 1HZ LYS 56 -2.838 -2.013 13.673 457 2HZ LYS 56 2HZ LYS 56 -1.712 -3.285 13.673 458 3HZ LYS 56 3HZ LYS 56 -1.177 -1.681 13.536 459 H ASP 57 H ASP 57 -4.430 1.467 11.225 460 HA ASP 57 HA ASP 57 -6.753 3.270 10.907 461 1HB ASP 57 1HB ASP 57 -4.559 3.186 12.982 462 2HB ASP 57 2HB ASP 57 -5.648 4.561 12.795 463 H TRP 58 H TRP 58 -3.250 3.002 10.575 464 HA TRP 58 HA TRP 58 -2.930 5.710 9.659 465 1HB TRP 58 1HB TRP 58 -0.637 5.016 9.051 466 2HB TRP 58 2HB TRP 58 -1.043 4.599 10.712 467 HD1 TRP 58 HD1 TRP 58 -1.319 2.045 11.320 468 HE1 TRP 58 HE1 TRP 58 -0.573 -0.109 10.120 469 HE3 TRP 58 HE3 TRP 58 -0.337 3.917 6.674 470 HZ2 TRP 58 HZ2 TRP 58 0.329 -0.936 7.518 471 HZ3 TRP 58 HZ3 TRP 58 0.466 2.434 4.861 472 HH2 TRP 58 HH2 TRP 58 0.795 0.013 5.276 473 H VAL 59 H VAL 59 -3.647 2.639 8.190 474 HA VAL 59 HA VAL 59 -2.965 3.368 5.512 475 HB VAL 59 HB VAL 59 -4.986 1.310 6.435 476 1HG1 VAL 59 1HG1 VAL 59 -3.429 1.727 3.869 477 2HG1 VAL 59 2HG1 VAL 59 -4.296 0.239 4.249 478 3HG1 VAL 59 3HG1 VAL 59 -5.180 1.754 4.069 479 1HG2 VAL 59 1HG2 VAL 59 -2.742 1.012 7.480 480 2HG2 VAL 59 2HG2 VAL 59 -3.131 -0.283 6.347 481 3HG2 VAL 59 3HG2 VAL 59 -2.021 1.002 5.870 482 H LYS 60 H LYS 60 -5.869 3.539 7.494 483 HA LYS 60 HA LYS 60 -7.696 4.286 5.487 484 1HB LYS 60 1HB LYS 60 -8.152 3.618 7.939 485 2HB LYS 60 2HB LYS 60 -7.842 5.313 8.315 486 1HG LYS 60 1HG LYS 60 -9.633 6.045 6.889 487 2HG LYS 60 2HG LYS 60 -9.837 4.428 6.216 488 1HD LYS 60 1HD LYS 60 -10.434 3.613 8.515 489 2HD LYS 60 2HD LYS 60 -10.394 5.288 9.068 490 1HE LYS 60 1HE LYS 60 -12.252 5.896 7.761 491 2HE LYS 60 2HE LYS 60 -12.076 4.502 6.697 492 1HZ LYS 60 1HZ LYS 60 -12.661 4.164 9.570 493 2HZ LYS 60 2HZ LYS 60 -13.908 4.444 8.450 494 3HZ LYS 60 3HZ LYS 60 -12.919 3.070 8.299 495 H LYS 61 H LYS 61 -5.804 6.323 7.729 496 HA LYS 61 HA LYS 61 -6.703 8.797 6.720 497 1HB LYS 61 1HB LYS 61 -4.632 9.739 7.739 498 2HB LYS 61 2HB LYS 61 -5.519 8.686 8.842 499 1HG LYS 61 1HG LYS 61 -4.003 6.848 8.407 500 2HG LYS 61 2HG LYS 61 -3.189 7.764 7.138 501 1HD LYS 61 1HD LYS 61 -1.797 7.964 9.066 502 2HD LYS 61 2HD LYS 61 -2.650 9.502 8.934 503 1HE LYS 61 1HE LYS 61 -4.423 8.163 10.457 504 2HE LYS 61 2HE LYS 61 -2.946 7.338 10.956 505 1HZ LYS 61 1HZ LYS 61 -1.967 9.580 11.326 506 2HZ LYS 61 2HZ LYS 61 -3.507 10.249 11.062 507 3HZ LYS 61 3HZ LYS 61 -3.246 9.199 12.372 508 H LEU 62 H LEU 62 -4.215 6.587 5.635 509 HA LEU 62 HA LEU 62 -2.879 8.345 3.849 510 1HB LEU 62 1HB LEU 62 -3.171 5.364 3.982 511 2HB LEU 62 2HB LEU 62 -2.344 6.136 2.649 512 HG LEU 62 HG LEU 62 -1.545 6.451 5.546 513 1HD1 LEU 62 1HD1 LEU 62 -0.576 4.606 3.349 514 2HD1 LEU 62 2HD1 LEU 62 0.336 4.920 4.825 515 3HD1 LEU 62 3HD1 LEU 62 -1.245 4.145 4.913 516 1HD2 LEU 62 1HD2 LEU 62 -0.516 7.420 2.899 517 2HD2 LEU 62 2HD2 LEU 62 -0.590 8.267 4.444 518 3HD2 LEU 62 3HD2 LEU 62 0.649 7.043 4.168 519 H MET 63 H MET 63 -5.322 5.829 3.296 520 HA MET 63 HA MET 63 -5.776 6.203 0.584 521 1HB MET 63 1HB MET 63 -7.805 5.517 2.720 522 2HB MET 63 2HB MET 63 -8.062 5.325 0.991 523 1HG MET 63 1HG MET 63 -5.837 3.987 2.556 524 2HG MET 63 2HG MET 63 -7.344 3.203 2.094 525 1HE MET 63 1HE MET 63 -7.946 2.289 0.271 526 2HE MET 63 2HE MET 63 -8.007 3.535 -0.974 527 3HE MET 63 3HE MET 63 -7.083 2.062 -1.256 528 H GLN 64 H GLN 64 -7.237 7.913 3.308 529 HA GLN 64 HA GLN 64 -8.871 9.596 1.624 530 1HB GLN 64 1HB GLN 64 -9.333 8.940 4.073 531 2HB GLN 64 2HB GLN 64 -8.150 10.181 4.491 532 1HG GLN 64 1HG GLN 64 -9.468 11.831 3.159 533 2HG GLN 64 2HG GLN 64 -10.686 10.586 2.878 534 2HE2 GLN 64 2HE2 GLN 64 -12.416 11.292 4.178 535 1HE2 GLN 64 1HE2 GLN 64 -12.288 11.601 5.841 536 H GLN 65 H GLN 65 -5.685 9.738 3.059 537 HA GLN 65 HA GLN 65 -5.293 12.552 2.742 538 1HB GLN 65 1HB GLN 65 -3.559 10.205 3.367 539 2HB GLN 65 2HB GLN 65 -2.787 11.699 2.835 540 1HG GLN 65 1HG GLN 65 -4.902 12.081 4.862 541 2HG GLN 65 2HG GLN 65 -3.509 11.162 5.429 542 2HE2 GLN 65 2HE2 GLN 65 -4.241 14.186 3.602 543 1HE2 GLN 65 1HE2 GLN 65 -2.930 15.056 4.238 544 H LEU 66 H LEU 66 -4.799 9.737 0.699 545 HA LEU 66 HA LEU 66 -3.677 11.496 -1.399 546 1HB LEU 66 1HB LEU 66 -3.377 8.565 -0.866 547 2HB LEU 66 2HB LEU 66 -3.053 9.243 -2.447 548 HG LEU 66 HG LEU 66 -0.976 9.040 -1.275 549 1HD1 LEU 66 1HD1 LEU 66 -1.707 11.287 -2.493 550 2HD1 LEU 66 2HD1 LEU 66 -1.505 11.948 -0.870 551 3HD1 LEU 66 3HD1 LEU 66 -0.150 11.157 -1.675 552 1HD2 LEU 66 1HD2 LEU 66 -2.394 9.288 1.009 553 2HD2 LEU 66 2HD2 LEU 66 -0.647 9.529 0.942 554 3HD2 LEU 66 3HD2 LEU 66 -1.732 10.920 0.896 555 HA PRO 67 HA PRO 67 -7.337 10.723 -3.730 556 1HB PRO 67 1HB PRO 67 -6.406 10.968 -6.295 557 2HB PRO 67 2HB PRO 67 -6.660 12.339 -5.203 558 1HG PRO 67 1HG PRO 67 -4.125 11.055 -6.056 559 2HG PRO 67 2HG PRO 67 -4.432 12.725 -5.556 560 1HD PRO 67 1HD PRO 67 -3.263 10.709 -3.962 561 2HD PRO 67 2HD PRO 67 -3.890 12.269 -3.379 562 H VAL 68 H VAL 68 -5.150 9.329 -6.151 563 HA VAL 68 HA VAL 68 -5.280 6.650 -5.431 564 HB VAL 68 HB VAL 68 -7.826 7.356 -5.986 565 1HG1 VAL 68 1HG1 VAL 68 -7.238 7.951 -8.368 566 2HG1 VAL 68 2HG1 VAL 68 -6.872 6.247 -8.634 567 3HG1 VAL 68 3HG1 VAL 68 -8.509 6.740 -8.204 568 1HG2 VAL 68 1HG2 VAL 68 -6.786 5.163 -5.191 569 2HG2 VAL 68 2HG2 VAL 68 -8.279 5.034 -6.121 570 3HG2 VAL 68 3HG2 VAL 68 -6.729 4.698 -6.893 571 H THR 69 H THR 69 -4.852 5.178 -7.386 572 HA THR 69 HA THR 69 -3.646 6.575 -9.652 573 HB THR 69 HB THR 69 -1.767 6.528 -8.148 574 HG1 THR 69 HG1 THR 69 -0.404 5.407 -9.428 575 1HG2 THR 69 1HG2 THR 69 -2.937 3.950 -7.392 576 2HG2 THR 69 2HG2 THR 69 -1.192 3.869 -7.625 577 3HG2 THR 69 3HG2 THR 69 -1.874 5.015 -6.472 578 H ALA 70 H ALA 70 -3.902 5.464 -11.484 579 HA ALA 70 HA ALA 70 -3.772 2.661 -11.757 580 1HB ALA 70 1HB ALA 70 -6.197 2.224 -12.237 581 2HB ALA 70 2HB ALA 70 -6.566 3.802 -11.542 582 3HB ALA 70 3HB ALA 70 -5.851 2.541 -10.538 583 H ARG 71 H ARG 71 -6.095 5.007 -13.093 584 HA ARG 71 HA ARG 71 -6.393 5.822 -15.222 585 1HB ARG 71 1HB ARG 71 -3.857 6.404 -14.689 586 2HB ARG 71 2HB ARG 71 -3.564 5.216 -15.959 587 1HG ARG 71 1HG ARG 71 -4.907 6.456 -17.533 588 2HG ARG 71 2HG ARG 71 -5.464 7.554 -16.269 589 1HD ARG 71 1HD ARG 71 -3.402 8.636 -16.112 590 2HD ARG 71 2HD ARG 71 -2.523 7.272 -16.795 591 HE ARG 71 HE ARG 71 -2.896 8.174 -18.892 592 1HH1 ARG 71 1HH1 ARG 71 -5.224 9.506 -16.641 593 2HH1 ARG 71 2HH1 ARG 71 -5.881 10.610 -17.799 594 1HH2 ARG 71 1HH2 ARG 71 -3.781 9.629 -20.369 595 2HH2 ARG 71 2HH2 ARG 71 -5.072 10.682 -19.892 No H/Q in entry = 595 Start of MODEL 22 1 H1 LEU 1 H1 LEU 1 -19.350 6.519 -12.479 2 H2 LEU 1 H2 LEU 1 -18.050 6.655 -11.398 3 H3 LEU 1 H3 LEU 1 -17.867 5.773 -12.839 4 HA LEU 1 HA LEU 1 -18.133 4.143 -11.210 5 1HB LEU 1 1HB LEU 1 -19.060 5.988 -9.596 6 2HB LEU 1 2HB LEU 1 -20.636 5.458 -10.185 7 HG LEU 1 HG LEU 1 -19.929 3.086 -9.607 8 1HD1 LEU 1 1HD1 LEU 1 -17.675 4.649 -8.325 9 2HD1 LEU 1 2HD1 LEU 1 -18.101 3.008 -7.837 10 3HD1 LEU 1 3HD1 LEU 1 -17.546 3.322 -9.481 11 1HD2 LEU 1 1HD2 LEU 1 -21.242 4.890 -8.138 12 2HD2 LEU 1 2HD2 LEU 1 -20.819 3.308 -7.483 13 3HD2 LEU 1 3HD2 LEU 1 -19.826 4.715 -7.100 14 H GLY 2 H GLY 2 -18.557 3.046 -13.161 15 1HA GLY 2 1HA GLY 2 -20.836 3.102 -14.725 16 2HA GLY 2 2HA GLY 2 -21.209 1.999 -13.402 17 H ALA 3 H ALA 3 -19.780 2.322 -16.438 18 HA ALA 3 HA ALA 3 -19.231 -0.432 -16.719 19 1HB ALA 3 1HB ALA 3 -19.694 0.928 -18.672 20 2HB ALA 3 2HB ALA 3 -18.078 0.240 -18.829 21 3HB ALA 3 3HB ALA 3 -18.275 1.927 -18.356 22 H SER 4 H SER 4 -17.653 -1.544 -15.798 23 HA SER 4 HA SER 4 -15.197 -0.180 -14.959 24 1HB SER 4 1HB SER 4 -16.328 -1.667 -13.342 25 2HB SER 4 2HB SER 4 -16.125 -3.019 -14.453 26 HG SER 4 HG SER 4 -14.335 -1.841 -12.758 27 H TRP 5 H TRP 5 -13.159 -0.749 -15.658 28 HA TRP 5 HA TRP 5 -12.978 -1.781 -18.330 29 1HB TRP 5 1HB TRP 5 -11.460 -0.028 -17.086 30 2HB TRP 5 2HB TRP 5 -10.576 -1.463 -16.570 31 HD1 TRP 5 HD1 TRP 5 -11.230 0.732 -19.553 32 HE1 TRP 5 HE1 TRP 5 -9.828 -0.090 -21.555 33 HE3 TRP 5 HE3 TRP 5 -9.544 -3.712 -17.685 34 HZ2 TRP 5 HZ2 TRP 5 -8.208 -2.337 -22.270 35 HZ3 TRP 5 HZ3 TRP 5 -8.075 -5.172 -19.045 36 HH2 TRP 5 HH2 TRP 5 -7.405 -4.490 -21.333 37 H HIS 6 H HIS 6 -12.413 -3.033 -15.106 38 HA HIS 6 HA HIS 6 -11.980 -5.154 -14.329 39 1HB HIS 6 1HB HIS 6 -13.882 -5.547 -16.133 40 2HB HIS 6 2HB HIS 6 -12.575 -6.351 -17.002 41 HD1 HIS 6 HD1 HIS 6 -11.855 -8.634 -16.177 42 HD2 HIS 6 HD2 HIS 6 -14.408 -6.714 -13.498 43 HE1 HIS 6 HE1 HIS 6 -12.437 -10.338 -14.395 44 H ARG 7 H ARG 7 -9.828 -5.216 -13.984 45 HA ARG 7 HA ARG 7 -8.179 -6.439 -16.086 46 1HB ARG 7 1HB ARG 7 -6.326 -4.840 -15.576 47 2HB ARG 7 2HB ARG 7 -7.714 -4.074 -16.350 48 1HG ARG 7 1HG ARG 7 -8.305 -2.912 -14.458 49 2HG ARG 7 2HG ARG 7 -7.721 -4.176 -13.374 50 1HD ARG 7 1HD ARG 7 -5.462 -3.496 -13.622 51 2HD ARG 7 2HD ARG 7 -5.829 -2.512 -15.035 52 HE ARG 7 HE ARG 7 -7.284 -1.536 -12.808 53 1HH1 ARG 7 1HH1 ARG 7 -4.014 -1.730 -14.045 54 2HH1 ARG 7 2HH1 ARG 7 -3.501 -0.292 -13.232 55 1HH2 ARG 7 1HH2 ARG 7 -6.572 0.334 -11.766 56 2HH2 ARG 7 2HH2 ARG 7 -4.935 0.868 -11.953 57 HA PRO 8 HA PRO 8 -6.565 -8.626 -12.598 58 1HB PRO 8 1HB PRO 8 -4.122 -9.392 -13.551 59 2HB PRO 8 2HB PRO 8 -5.653 -10.094 -14.096 60 1HG PRO 8 1HG PRO 8 -3.840 -8.225 -15.498 61 2HG PRO 8 2HG PRO 8 -5.009 -9.374 -16.164 62 1HD PRO 8 1HD PRO 8 -5.355 -6.560 -15.888 63 2HD PRO 8 2HD PRO 8 -6.596 -7.746 -16.358 64 H ASP 9 H ASP 9 -6.323 -6.967 -11.034 65 HA ASP 9 HA ASP 9 -4.050 -5.226 -10.960 66 1HB ASP 9 1HB ASP 9 -5.901 -5.978 -8.688 67 2HB ASP 9 2HB ASP 9 -4.854 -4.561 -8.774 68 H LYS 10 H LYS 10 -3.000 -5.256 -8.522 69 HA LYS 10 HA LYS 10 -1.494 -7.776 -8.490 70 1HB LYS 10 1HB LYS 10 -0.985 -5.002 -7.489 71 2HB LYS 10 2HB LYS 10 -0.146 -6.352 -6.726 72 1HG LYS 10 1HG LYS 10 0.750 -7.068 -8.878 73 2HG LYS 10 2HG LYS 10 -0.170 -5.813 -9.710 74 1HD LYS 10 1HD LYS 10 1.844 -4.707 -9.503 75 2HD LYS 10 2HD LYS 10 1.113 -4.246 -7.965 76 1HE LYS 10 1HE LYS 10 2.260 -6.105 -6.842 77 2HE LYS 10 2HE LYS 10 2.964 -6.613 -8.378 78 1HZ LYS 10 1HZ LYS 10 3.379 -3.936 -7.169 79 2HZ LYS 10 2HZ LYS 10 4.456 -5.234 -6.985 80 3HZ LYS 10 3HZ LYS 10 4.169 -4.582 -8.528 81 H CYS 11 H CYS 11 -2.243 -9.316 -7.202 82 HA CYS 11 HA CYS 11 -4.084 -8.949 -5.094 83 1HB CYS 11 1HB CYS 11 -2.136 -11.245 -5.435 84 2HB CYS 11 2HB CYS 11 -3.638 -11.268 -4.516 85 H CYS 12 H CYS 12 -3.317 -10.166 -2.880 86 HA CYS 12 HA CYS 12 -0.825 -8.912 -1.934 87 1HB CYS 12 1HB CYS 12 -3.590 -8.433 -0.876 88 2HB CYS 12 2HB CYS 12 -2.227 -8.435 0.240 89 H LEU 13 H LEU 13 -0.069 -9.821 0.096 90 HA LEU 13 HA LEU 13 -1.134 -12.535 0.621 91 1HB LEU 13 1HB LEU 13 1.155 -12.297 -0.604 92 2HB LEU 13 2HB LEU 13 1.759 -11.833 0.972 93 HG LEU 13 HG LEU 13 0.332 -14.444 0.422 94 1HD1 LEU 13 1HD1 LEU 13 2.691 -13.870 -0.691 95 2HD1 LEU 13 2HD1 LEU 13 3.273 -14.266 0.926 96 3HD1 LEU 13 3HD1 LEU 13 2.364 -15.460 -0.001 97 1HD2 LEU 13 1HD2 LEU 13 1.829 -13.255 2.762 98 2HD2 LEU 13 2HD2 LEU 13 0.206 -13.944 2.739 99 3HD2 LEU 13 3HD2 LEU 13 1.613 -14.997 2.596 100 H GLY 14 H GLY 14 0.806 -9.865 1.889 101 1HA GLY 14 1HA GLY 14 1.337 -10.120 4.403 102 2HA GLY 14 2HA GLY 14 -0.410 -10.295 4.542 103 H TYR 15 H TYR 15 -0.639 -8.410 5.773 104 HA TYR 15 HA TYR 15 -0.638 -5.959 4.180 105 1HB TYR 15 1HB TYR 15 -1.744 -6.551 6.929 106 2HB TYR 15 2HB TYR 15 -1.864 -4.993 6.121 107 HD1 TYR 15 HD1 TYR 15 -2.963 -8.521 6.061 108 HD2 TYR 15 HD2 TYR 15 -3.305 -4.664 4.217 109 HE1 TYR 15 HE1 TYR 15 -4.964 -9.294 4.814 110 HE2 TYR 15 HE2 TYR 15 -5.300 -5.424 2.974 111 HH TYR 15 HH TYR 15 -7.119 -7.847 3.728 112 H GLN 16 H GLN 16 -0.007 -3.926 5.287 113 HA GLN 16 HA GLN 16 2.723 -4.124 6.172 114 1HB GLN 16 1HB GLN 16 2.023 -2.237 4.785 115 2HB GLN 16 2HB GLN 16 0.861 -1.738 5.999 116 1HG GLN 16 1HG GLN 16 2.908 -0.375 6.131 117 2HG GLN 16 2HG GLN 16 2.712 -1.343 7.590 118 2HE2 GLN 16 2HE2 GLN 16 4.741 -0.803 4.791 119 1HE2 GLN 16 1HE2 GLN 16 5.922 -1.958 5.182 120 H LYS 17 H LYS 17 3.555 -3.834 8.179 121 HA LYS 17 HA LYS 17 1.624 -3.865 10.406 122 1HB LYS 17 1HB LYS 17 3.400 -5.716 10.077 123 2HB LYS 17 2HB LYS 17 4.553 -4.511 10.652 124 1HG LYS 17 1HG LYS 17 3.169 -4.192 12.692 125 2HG LYS 17 2HG LYS 17 2.077 -5.457 12.127 126 1HD LYS 17 1HD LYS 17 3.453 -6.771 13.414 127 2HD LYS 17 2HD LYS 17 4.400 -6.796 11.926 128 1HE LYS 17 1HE LYS 17 4.861 -4.524 13.804 129 2HE LYS 17 2HE LYS 17 5.488 -6.104 14.272 130 1HZ LYS 17 1HZ LYS 17 6.384 -6.147 11.876 131 2HZ LYS 17 2HZ LYS 17 6.162 -4.463 11.921 132 3HZ LYS 17 3HZ LYS 17 7.200 -5.217 13.035 133 H ARG 18 H ARG 18 4.057 -1.922 8.902 134 HA ARG 18 HA ARG 18 4.140 -0.179 11.292 135 1HB ARG 18 1HB ARG 18 6.119 -0.458 9.019 136 2HB ARG 18 2HB ARG 18 6.223 0.765 10.286 137 1HG ARG 18 1HG ARG 18 6.045 -1.272 11.917 138 2HG ARG 18 2HG ARG 18 6.542 -2.217 10.513 139 1HD ARG 18 1HD ARG 18 8.598 -1.684 11.478 140 2HD ARG 18 2HD ARG 18 8.415 -0.407 10.280 141 HE ARG 18 HE ARG 18 7.311 0.371 12.803 142 1HH1 ARG 18 1HH1 ARG 18 10.329 -0.027 11.075 143 2HH1 ARG 18 2HH1 ARG 18 11.159 1.159 12.022 144 1HH2 ARG 18 1HH2 ARG 18 8.430 1.911 14.013 145 2HH2 ARG 18 2HH2 ARG 18 10.094 2.248 13.671 146 HA PRO 19 HA PRO 19 1.996 2.763 8.741 147 1HB PRO 19 1HB PRO 19 2.283 4.970 10.328 148 2HB PRO 19 2HB PRO 19 1.161 3.648 10.674 149 1HG PRO 19 1HG PRO 19 3.703 4.334 12.001 150 2HG PRO 19 2HG PRO 19 2.317 3.427 12.621 151 1HD PRO 19 1HD PRO 19 4.781 2.348 11.669 152 2HD PRO 19 2HD PRO 19 3.317 1.442 12.121 153 H LEU 20 H LEU 20 2.838 3.504 6.884 154 HA LEU 20 HA LEU 20 5.493 4.657 6.776 155 1HB LEU 20 1HB LEU 20 3.662 4.770 4.437 156 2HB LEU 20 2HB LEU 20 5.379 4.440 4.495 157 HG LEU 20 HG LEU 20 3.131 2.526 5.158 158 1HD1 LEU 20 1HD1 LEU 20 4.033 3.173 2.721 159 2HD1 LEU 20 2HD1 LEU 20 5.281 2.005 3.155 160 3HD1 LEU 20 3HD1 LEU 20 3.586 1.518 3.135 161 1HD2 LEU 20 1HD2 LEU 20 5.253 2.396 6.623 162 2HD2 LEU 20 2HD2 LEU 20 4.762 0.922 5.791 163 3HD2 LEU 20 3HD2 LEU 20 6.086 1.895 5.151 164 HA PRO 21 HA PRO 21 3.974 8.835 7.034 165 1HB PRO 21 1HB PRO 21 6.264 10.144 6.318 166 2HB PRO 21 2HB PRO 21 6.025 9.377 7.897 167 1HG PRO 21 1HG PRO 21 7.712 8.512 5.632 168 2HG PRO 21 2HG PRO 21 7.857 8.134 7.354 169 1HD PRO 21 1HD PRO 21 6.777 6.453 5.313 170 2HD PRO 21 2HD PRO 21 6.774 6.150 7.066 171 H GLN 22 H GLN 22 3.003 10.312 5.703 172 HA GLN 22 HA GLN 22 2.860 9.813 2.900 173 1HB GLN 22 1HB GLN 22 1.081 10.894 4.399 174 2HB GLN 22 2HB GLN 22 2.020 12.378 4.239 175 1HG GLN 22 1HG GLN 22 1.904 11.641 1.640 176 2HG GLN 22 2HG GLN 22 0.390 10.940 2.211 177 2HE2 GLN 22 2HE2 GLN 22 1.134 13.509 0.564 178 1HE2 GLN 22 1HE2 GLN 22 0.211 14.718 1.319 179 H VAL 23 H VAL 23 5.138 11.505 4.798 180 HA VAL 23 HA VAL 23 5.870 13.687 3.262 181 HB VAL 23 HB VAL 23 6.797 13.179 5.487 182 1HG1 VAL 23 1HG1 VAL 23 7.171 10.658 4.610 183 2HG1 VAL 23 2HG1 VAL 23 8.795 11.293 4.349 184 3HG1 VAL 23 3HG1 VAL 23 8.078 11.339 5.960 185 1HG2 VAL 23 1HG2 VAL 23 8.004 14.738 4.004 186 2HG2 VAL 23 2HG2 VAL 23 9.132 13.824 5.007 187 3HG2 VAL 23 3HG2 VAL 23 8.905 13.388 3.314 188 H LEU 24 H LEU 24 6.417 10.284 2.645 189 HA LEU 24 HA LEU 24 7.800 11.053 0.150 190 1HB LEU 24 1HB LEU 24 9.379 9.369 0.323 191 2HB LEU 24 2HB LEU 24 9.303 10.039 1.932 192 HG LEU 24 HG LEU 24 9.458 7.736 2.287 193 1HD1 LEU 24 1HD1 LEU 24 7.488 8.816 3.455 194 2HD1 LEU 24 2HD1 LEU 24 6.459 8.112 2.208 195 3HD1 LEU 24 3HD1 LEU 24 7.386 7.065 3.280 196 1HD2 LEU 24 1HD2 LEU 24 8.753 7.421 -0.282 197 2HD2 LEU 24 2HD2 LEU 24 8.710 6.088 0.871 198 3HD2 LEU 24 3HD2 LEU 24 7.228 6.956 0.470 199 H LEU 25 H LEU 25 5.029 9.696 1.349 200 HA LEU 25 HA LEU 25 4.775 7.490 -0.485 201 1HB LEU 25 1HB LEU 25 3.553 8.009 1.803 202 2HB LEU 25 2HB LEU 25 2.425 8.835 0.752 203 HG LEU 25 HG LEU 25 1.914 6.776 -0.410 204 1HD1 LEU 25 1HD1 LEU 25 4.330 5.817 1.067 205 2HD1 LEU 25 2HD1 LEU 25 3.029 4.659 0.787 206 3HD1 LEU 25 3HD1 LEU 25 3.806 5.459 -0.579 207 1HD2 LEU 25 1HD2 LEU 25 1.831 6.890 2.569 208 2HD2 LEU 25 2HD2 LEU 25 0.504 6.828 1.408 209 3HD2 LEU 25 3HD2 LEU 25 1.395 5.359 1.808 210 H SER 26 H SER 26 2.861 7.464 -2.029 211 HA SER 26 HA SER 26 2.608 10.090 -3.375 212 1HB SER 26 1HB SER 26 4.029 8.088 -4.450 213 2HB SER 26 2HB SER 26 2.428 7.611 -5.007 214 HG SER 26 HG SER 26 2.316 9.364 -6.217 215 H SER 27 H SER 27 1.164 6.823 -3.260 216 HA SER 27 HA SER 27 -1.427 7.772 -2.593 217 1HB SER 27 1HB SER 27 -2.603 7.544 -4.657 218 2HB SER 27 2HB SER 27 -1.212 8.567 -4.999 219 HG SER 27 HG SER 27 -1.577 5.814 -5.556 220 H TRP 28 H TRP 28 -3.042 5.859 -3.684 221 HA TRP 28 HA TRP 28 -1.780 3.253 -3.165 222 1HB TRP 28 1HB TRP 28 -3.763 2.634 -1.720 223 2HB TRP 28 2HB TRP 28 -2.650 3.790 -0.989 224 HD1 TRP 28 HD1 TRP 28 -3.426 6.333 -0.830 225 HE1 TRP 28 HE1 TRP 28 -5.762 7.422 -0.864 226 HE3 TRP 28 HE3 TRP 28 -6.193 2.452 -2.693 227 HZ2 TRP 28 HZ2 TRP 28 -8.441 6.738 -1.591 228 HZ3 TRP 28 HZ3 TRP 28 -8.626 2.705 -3.046 229 HH2 TRP 28 HH2 TRP 28 -9.756 4.842 -2.496 230 H TYR 29 H TYR 29 -2.649 1.603 -4.349 231 HA TYR 29 HA TYR 29 -5.019 2.287 -5.979 232 1HB TYR 29 1HB TYR 29 -4.130 0.994 -7.817 233 2HB TYR 29 2HB TYR 29 -2.937 2.190 -7.330 234 HD1 TYR 29 HD1 TYR 29 -1.054 1.411 -5.708 235 HD2 TYR 29 HD2 TYR 29 -3.585 -1.284 -7.898 236 HE1 TYR 29 HE1 TYR 29 0.614 -0.389 -5.423 237 HE2 TYR 29 HE2 TYR 29 -1.912 -3.088 -7.605 238 HH TYR 29 HH TYR 29 1.183 -2.613 -6.815 239 HA PRO 30 HA PRO 30 -6.723 -1.352 -4.117 240 1HB PRO 30 1HB PRO 30 -8.955 -1.607 -5.669 241 2HB PRO 30 2HB PRO 30 -8.770 -0.382 -4.406 242 1HG PRO 30 1HG PRO 30 -8.696 -0.071 -7.345 243 2HG PRO 30 2HG PRO 30 -9.107 1.113 -6.097 244 1HD PRO 30 1HD PRO 30 -6.638 0.908 -7.497 245 2HD PRO 30 2HD PRO 30 -6.982 1.943 -6.092 246 H THR 31 H THR 31 -7.001 -3.574 -4.431 247 HA THR 31 HA THR 31 -5.935 -4.610 -6.983 248 HB THR 31 HB THR 31 -4.602 -5.229 -5.033 249 HG1 THR 31 HG1 THR 31 -4.839 -6.783 -6.654 250 1HG2 THR 31 1HG2 THR 31 -7.198 -6.386 -3.986 251 2HG2 THR 31 2HG2 THR 31 -5.613 -6.656 -3.260 252 3HG2 THR 31 3HG2 THR 31 -6.301 -5.034 -3.298 253 H SER 32 H SER 32 -6.750 -7.095 -7.138 254 HA SER 32 HA SER 32 -9.413 -6.974 -8.007 255 1HB SER 32 1HB SER 32 -8.354 -9.615 -7.147 256 2HB SER 32 2HB SER 32 -9.154 -9.155 -8.646 257 HG SER 32 HG SER 32 -7.167 -9.194 -9.369 258 H GLN 33 H GLN 33 -11.045 -8.741 -7.174 259 HA GLN 33 HA GLN 33 -11.807 -7.907 -4.531 260 1HB GLN 33 1HB GLN 33 -13.261 -8.675 -6.645 261 2HB GLN 33 2HB GLN 33 -13.163 -10.223 -5.807 262 1HG GLN 33 1HG GLN 33 -13.904 -9.011 -3.704 263 2HG GLN 33 2HG GLN 33 -14.237 -7.609 -4.721 264 2HE2 GLN 33 2HE2 GLN 33 -16.354 -7.521 -5.456 265 1HE2 GLN 33 1HE2 GLN 33 -17.363 -8.866 -5.693 266 H LEU 34 H LEU 34 -11.445 -11.199 -5.843 267 HA LEU 34 HA LEU 34 -11.058 -12.311 -3.235 268 1HB LEU 34 1HB LEU 34 -10.709 -13.489 -5.987 269 2HB LEU 34 2HB LEU 34 -10.491 -14.402 -4.511 270 HG LEU 34 HG LEU 34 -12.668 -14.923 -5.289 271 1HD1 LEU 34 1HD1 LEU 34 -12.484 -14.294 -2.847 272 2HD1 LEU 34 2HD1 LEU 34 -13.107 -12.701 -3.278 273 3HD1 LEU 34 3HD1 LEU 34 -14.106 -14.134 -3.523 274 1HD2 LEU 34 1HD2 LEU 34 -12.573 -12.615 -6.675 275 2HD2 LEU 34 2HD2 LEU 34 -14.084 -13.473 -6.370 276 3HD2 LEU 34 3HD2 LEU 34 -13.626 -12.104 -5.356 277 H CYS 35 H CYS 35 -8.827 -12.962 -5.919 278 HA CYS 35 HA CYS 35 -6.527 -13.049 -5.987 279 1HB CYS 35 1HB CYS 35 -7.219 -10.526 -4.624 280 2HB CYS 35 2HB CYS 35 -5.584 -11.090 -4.308 281 H SER 36 H SER 36 -8.071 -14.438 -3.707 282 HA SER 36 HA SER 36 -7.508 -15.847 -1.978 283 1HB SER 36 1HB SER 36 -5.211 -15.814 -3.454 284 2HB SER 36 2HB SER 36 -4.630 -15.182 -1.917 285 HG SER 36 HG SER 36 -5.443 -17.695 -2.592 286 H LYS 37 H LYS 37 -5.100 -13.260 -1.730 287 HA LYS 37 HA LYS 37 -6.272 -12.473 0.871 288 1HB LYS 37 1HB LYS 37 -3.487 -13.089 0.104 289 2HB LYS 37 2HB LYS 37 -3.682 -11.584 1.001 290 1HG LYS 37 1HG LYS 37 -3.589 -12.959 2.820 291 2HG LYS 37 2HG LYS 37 -5.295 -13.224 2.452 292 1HD LYS 37 1HD LYS 37 -4.238 -15.389 2.706 293 2HD LYS 37 2HD LYS 37 -4.608 -15.159 0.996 294 1HE LYS 37 1HE LYS 37 -2.399 -14.970 0.401 295 2HE LYS 37 2HE LYS 37 -1.947 -14.202 1.923 296 1HZ LYS 37 1HZ LYS 37 -2.298 -16.396 3.000 297 2HZ LYS 37 2HZ LYS 37 -2.499 -17.080 1.461 298 3HZ LYS 37 3HZ LYS 37 -1.015 -16.372 1.888 299 HA PRO 38 HA PRO 38 -6.520 -8.839 -1.893 300 1HB PRO 38 1HB PRO 38 -8.659 -7.676 -0.651 301 2HB PRO 38 2HB PRO 38 -8.796 -8.946 -1.876 302 1HG PRO 38 1HG PRO 38 -9.147 -9.123 1.067 303 2HG PRO 38 2HG PRO 38 -9.903 -10.074 -0.220 304 1HD PRO 38 1HD PRO 38 -7.763 -10.918 1.400 305 2HD PRO 38 2HD PRO 38 -8.272 -11.677 -0.127 306 H GLY 39 H GLY 39 -7.202 -6.378 -1.045 307 1HA GLY 39 1HA GLY 39 -5.188 -5.774 1.035 308 2HA GLY 39 2HA GLY 39 -6.748 -4.954 1.004 309 H VAL 40 H VAL 40 -6.037 -2.880 0.569 310 HA VAL 40 HA VAL 40 -5.268 -2.360 -2.171 311 HB VAL 40 HB VAL 40 -5.518 -0.386 0.116 312 1HG1 VAL 40 1HG1 VAL 40 -4.421 0.011 -2.349 313 2HG1 VAL 40 2HG1 VAL 40 -6.111 0.377 -2.678 314 3HG1 VAL 40 3HG1 VAL 40 -5.244 1.261 -1.423 315 1HG2 VAL 40 1HG2 VAL 40 -7.533 -1.620 -1.746 316 2HG2 VAL 40 2HG2 VAL 40 -7.662 -1.323 -0.011 317 3HG2 VAL 40 3HG2 VAL 40 -7.771 0.022 -1.147 318 H ILE 41 H ILE 41 -3.345 -1.653 -2.927 319 HA ILE 41 HA ILE 41 -1.047 -1.873 -1.107 320 HB ILE 41 HB ILE 41 -1.290 -1.942 -4.123 321 1HG1 ILE 41 1HG1 ILE 41 -0.191 -4.227 -3.638 322 2HG1 ILE 41 2HG1 ILE 41 -0.667 -3.945 -1.962 323 1HG2 ILE 41 1HG2 ILE 41 0.795 -0.764 -3.499 324 2HG2 ILE 41 2HG2 ILE 41 1.230 -2.106 -2.437 325 3HG2 ILE 41 3HG2 ILE 41 1.141 -2.355 -4.181 326 1HD1 ILE 41 1HD1 ILE 41 -2.695 -3.587 -4.145 327 2HD1 ILE 41 2HD1 ILE 41 -2.309 -5.213 -3.581 328 3HD1 ILE 41 3HD1 ILE 41 -2.942 -4.015 -2.453 329 H PHE 42 H PHE 42 0.513 -0.253 -0.975 330 HA PHE 42 HA PHE 42 -0.440 2.430 -1.729 331 1HB PHE 42 1HB PHE 42 1.418 1.387 0.379 332 2HB PHE 42 2HB PHE 42 1.671 3.019 -0.236 333 HD1 PHE 42 HD1 PHE 42 -0.287 4.650 -0.220 334 HD2 PHE 42 HD2 PHE 42 -0.324 0.925 1.921 335 HE1 PHE 42 HE1 PHE 42 -2.144 5.484 1.197 336 HE2 PHE 42 HE2 PHE 42 -2.182 1.760 3.338 337 HZ PHE 42 HZ PHE 42 -3.090 4.040 2.976 338 H LEU 43 H LEU 43 1.101 3.938 -2.644 339 HA LEU 43 HA LEU 43 3.352 2.651 -4.060 340 1HB LEU 43 1HB LEU 43 1.358 4.589 -5.233 341 2HB LEU 43 2HB LEU 43 2.824 4.058 -6.029 342 HG LEU 43 HG LEU 43 0.748 2.065 -5.151 343 1HD1 LEU 43 1HD1 LEU 43 0.652 4.015 -7.404 344 2HD1 LEU 43 2HD1 LEU 43 0.180 2.354 -7.763 345 3HD1 LEU 43 3HD1 LEU 43 -0.670 3.263 -6.512 346 1HD2 LEU 43 1HD2 LEU 43 3.203 1.634 -6.049 347 2HD2 LEU 43 2HD2 LEU 43 1.864 0.627 -6.599 348 3HD2 LEU 43 3HD2 LEU 43 2.453 1.942 -7.614 349 H THR 44 H THR 44 5.000 3.567 -2.895 350 HA THR 44 HA THR 44 4.943 6.301 -2.037 351 HB THR 44 HB THR 44 7.259 5.939 -1.372 352 HG1 THR 44 HG1 THR 44 6.990 3.510 -2.810 353 1HG2 THR 44 1HG2 THR 44 5.159 3.917 -0.794 354 2HG2 THR 44 2HG2 THR 44 6.798 3.518 -0.283 355 3HG2 THR 44 3HG2 THR 44 6.024 4.988 0.308 356 H LYS 45 H LYS 45 6.661 7.871 -2.710 357 HA LYS 45 HA LYS 45 6.444 8.490 -5.438 358 1HB LYS 45 1HB LYS 45 8.383 9.410 -3.315 359 2HB LYS 45 2HB LYS 45 8.422 10.038 -4.963 360 1HG LYS 45 1HG LYS 45 6.407 11.142 -4.742 361 2HG LYS 45 2HG LYS 45 5.784 9.989 -3.561 362 1HD LYS 45 1HD LYS 45 6.203 11.852 -2.217 363 2HD LYS 45 2HD LYS 45 7.703 10.941 -2.037 364 1HE LYS 45 1HE LYS 45 8.835 12.321 -3.641 365 2HE LYS 45 2HE LYS 45 7.325 13.088 -4.137 366 1HZ LYS 45 1HZ LYS 45 8.458 13.264 -1.400 367 2HZ LYS 45 2HZ LYS 45 8.685 14.444 -2.600 368 3HZ LYS 45 3HZ LYS 45 7.126 14.117 -2.010 369 H ARG 46 H ARG 46 9.322 7.336 -3.677 370 HA ARG 46 HA ARG 46 10.230 6.036 -6.174 371 1HB ARG 46 1HB ARG 46 11.474 8.168 -5.661 372 2HB ARG 46 2HB ARG 46 12.048 7.387 -4.185 373 1HG ARG 46 1HG ARG 46 13.376 5.873 -5.333 374 2HG ARG 46 2HG ARG 46 12.368 5.929 -6.780 375 1HD ARG 46 1HD ARG 46 13.184 8.462 -6.816 376 2HD ARG 46 2HD ARG 46 14.532 7.794 -5.901 377 HE ARG 46 HE ARG 46 15.278 6.797 -7.852 378 1HH1 ARG 46 1HH1 ARG 46 11.903 7.651 -8.214 379 2HH1 ARG 46 2HH1 ARG 46 11.856 7.215 -9.887 380 1HH2 ARG 46 1HH2 ARG 46 15.172 6.240 -10.035 381 2HH2 ARG 46 2HH2 ARG 46 13.689 6.423 -10.911 382 H GLY 47 H GLY 47 9.227 5.461 -3.085 383 1HA GLY 47 1HA GLY 47 9.640 3.841 -1.500 384 2HA GLY 47 2HA GLY 47 11.247 3.638 -2.191 385 H ARG 48 H ARG 48 8.200 2.275 -1.812 386 HA ARG 48 HA ARG 48 8.310 0.578 -4.181 387 1HB ARG 48 1HB ARG 48 9.292 -0.285 -1.538 388 2HB ARG 48 2HB ARG 48 8.128 -1.385 -2.270 389 1HG ARG 48 1HG ARG 48 9.512 -1.895 -4.044 390 2HG ARG 48 2HG ARG 48 10.300 -0.317 -4.017 391 1HD ARG 48 1HD ARG 48 10.686 -2.457 -1.908 392 2HD ARG 48 2HD ARG 48 11.791 -2.174 -3.249 393 HE ARG 48 HE ARG 48 11.315 0.217 -1.734 394 1HH1 ARG 48 1HH1 ARG 48 13.125 -2.779 -1.780 395 2HH1 ARG 48 2HH1 ARG 48 14.405 -2.153 -0.800 396 1HH2 ARG 48 1HH2 ARG 48 13.005 0.994 -0.459 397 2HH2 ARG 48 2HH2 ARG 48 14.340 -0.036 -0.058 398 H GLN 49 H GLN 49 6.630 -1.399 -3.544 399 HA GLN 49 HA GLN 49 4.143 0.028 -2.891 400 1HB GLN 49 1HB GLN 49 4.825 -2.318 -4.596 401 2HB GLN 49 2HB GLN 49 3.243 -2.310 -3.815 402 1HG GLN 49 1HG GLN 49 2.593 -0.305 -4.888 403 2HG GLN 49 2HG GLN 49 4.253 0.096 -5.328 404 2HE2 GLN 49 2HE2 GLN 49 4.121 0.065 -7.610 405 1HE2 GLN 49 1HE2 GLN 49 3.627 -1.291 -8.505 406 H VAL 50 H VAL 50 2.627 -0.879 -1.426 407 HA VAL 50 HA VAL 50 3.453 -3.203 0.149 408 HB VAL 50 HB VAL 50 2.961 -0.532 1.485 409 1HG1 VAL 50 1HG1 VAL 50 2.338 -2.718 2.675 410 2HG1 VAL 50 2HG1 VAL 50 4.065 -3.081 2.680 411 3HG1 VAL 50 3HG1 VAL 50 3.459 -1.655 3.525 412 1HG2 VAL 50 1HG2 VAL 50 5.511 -2.066 0.922 413 2HG2 VAL 50 2HG2 VAL 50 5.111 -0.429 0.404 414 3HG2 VAL 50 3HG2 VAL 50 5.404 -0.767 2.110 415 H CYS 51 H CYS 51 1.756 -4.368 0.777 416 HA CYS 51 HA CYS 51 -0.912 -3.619 0.063 417 1HB CYS 51 1HB CYS 51 0.184 -5.878 1.754 418 2HB CYS 51 2HB CYS 51 -1.527 -5.694 1.374 419 H ALA 52 H ALA 52 -2.705 -3.299 1.548 420 HA ALA 52 HA ALA 52 -2.254 -2.931 4.348 421 1HB ALA 52 1HB ALA 52 -1.198 -0.865 3.056 422 2HB ALA 52 2HB ALA 52 -2.876 -0.321 3.061 423 3HB ALA 52 3HB ALA 52 -2.055 -0.660 4.583 424 H ASP 53 H ASP 53 -4.110 -2.969 5.440 425 HA ASP 53 HA ASP 53 -6.609 -3.084 3.932 426 1HB ASP 53 1HB ASP 53 -5.675 -3.982 6.586 427 2HB ASP 53 2HB ASP 53 -7.325 -3.361 6.569 428 H LYS 54 H LYS 54 -8.076 -1.487 3.854 429 HA LYS 54 HA LYS 54 -7.467 1.129 4.678 430 1HB LYS 54 1HB LYS 54 -9.849 1.634 4.167 431 2HB LYS 54 2HB LYS 54 -9.061 0.713 2.886 432 1HG LYS 54 1HG LYS 54 -9.995 -1.331 4.381 433 2HG LYS 54 2HG LYS 54 -11.215 -0.115 4.761 434 1HD LYS 54 1HD LYS 54 -11.722 0.204 2.416 435 2HD LYS 54 2HD LYS 54 -10.378 -0.835 1.939 436 1HE LYS 54 1HE LYS 54 -12.401 -1.998 3.793 437 2HE LYS 54 2HE LYS 54 -12.889 -1.760 2.116 438 1HZ LYS 54 1HZ LYS 54 -10.364 -3.111 2.869 439 2HZ LYS 54 2HZ LYS 54 -11.823 -3.953 2.651 440 3HZ LYS 54 3HZ LYS 54 -11.129 -3.099 1.356 441 H SER 55 H SER 55 -9.067 -1.495 6.332 442 HA SER 55 HA SER 55 -10.459 -0.097 8.318 443 1HB SER 55 1HB SER 55 -10.100 -2.729 7.748 444 2HB SER 55 2HB SER 55 -9.116 -2.570 9.198 445 HG SER 55 HG SER 55 -11.608 -2.927 9.226 446 H LYS 56 H LYS 56 -7.044 -0.621 7.902 447 HA LYS 56 HA LYS 56 -6.122 -0.331 10.531 448 1HB LYS 56 1HB LYS 56 -4.961 0.191 7.830 449 2HB LYS 56 2HB LYS 56 -4.118 0.837 9.238 450 1HG LYS 56 1HG LYS 56 -3.187 -1.323 8.926 451 2HG LYS 56 2HG LYS 56 -4.346 -1.524 10.240 452 1HD LYS 56 1HD LYS 56 -6.049 -2.244 8.531 453 2HD LYS 56 2HD LYS 56 -4.765 -2.219 7.321 454 1HE LYS 56 1HE LYS 56 -4.446 -3.782 9.879 455 2HE LYS 56 2HE LYS 56 -5.284 -4.477 8.492 456 1HZ LYS 56 1HZ LYS 56 -3.237 -3.765 7.185 457 2HZ LYS 56 2HZ LYS 56 -2.472 -3.594 8.692 458 3HZ LYS 56 3HZ LYS 56 -3.078 -5.106 8.210 459 H ASP 57 H ASP 57 -4.596 1.746 10.950 460 HA ASP 57 HA ASP 57 -6.487 3.989 11.087 461 1HB ASP 57 1HB ASP 57 -5.042 2.970 13.069 462 2HB ASP 57 2HB ASP 57 -3.821 4.070 12.427 463 H TRP 58 H TRP 58 -2.954 3.705 10.658 464 HA TRP 58 HA TRP 58 -2.642 6.217 9.444 465 1HB TRP 58 1HB TRP 58 -0.447 5.373 8.639 466 2HB TRP 58 2HB TRP 58 -0.711 5.098 10.357 467 HD1 TRP 58 HD1 TRP 58 -1.224 2.583 11.140 468 HE1 TRP 58 HE1 TRP 58 -0.613 0.325 10.062 469 HE3 TRP 58 HE3 TRP 58 -0.148 4.131 6.399 470 HZ2 TRP 58 HZ2 TRP 58 0.222 -0.696 7.513 471 HZ3 TRP 58 HZ3 TRP 58 0.554 2.503 4.669 472 HH2 TRP 58 HH2 TRP 58 0.737 0.094 5.220 473 H VAL 59 H VAL 59 -3.610 3.146 8.119 474 HA VAL 59 HA VAL 59 -3.150 3.835 5.368 475 HB VAL 59 HB VAL 59 -5.085 1.789 6.485 476 1HG1 VAL 59 1HG1 VAL 59 -3.998 2.464 3.787 477 2HG1 VAL 59 2HG1 VAL 59 -4.214 0.757 4.173 478 3HG1 VAL 59 3HG1 VAL 59 -5.592 1.856 4.235 479 1HG2 VAL 59 1HG2 VAL 59 -2.783 1.465 7.353 480 2HG2 VAL 59 2HG2 VAL 59 -3.239 0.185 6.228 481 3HG2 VAL 59 3HG2 VAL 59 -2.170 1.484 5.700 482 H LYS 60 H LYS 60 -5.765 4.191 7.668 483 HA LYS 60 HA LYS 60 -7.818 4.870 5.830 484 1HB LYS 60 1HB LYS 60 -7.820 4.291 8.448 485 2HB LYS 60 2HB LYS 60 -7.849 6.051 8.559 486 1HG LYS 60 1HG LYS 60 -9.833 6.157 7.154 487 2HG LYS 60 2HG LYS 60 -9.771 4.415 6.878 488 1HD LYS 60 1HD LYS 60 -11.254 4.383 8.624 489 2HD LYS 60 2HD LYS 60 -9.775 4.441 9.582 490 1HE LYS 60 1HE LYS 60 -10.000 7.026 9.350 491 2HE LYS 60 2HE LYS 60 -11.674 6.681 8.914 492 1HZ LYS 60 1HZ LYS 60 -11.925 5.461 10.982 493 2HZ LYS 60 2HZ LYS 60 -10.312 5.794 11.400 494 3HZ LYS 60 3HZ LYS 60 -11.442 7.058 11.286 495 H LYS 61 H LYS 61 -5.702 6.886 7.877 496 HA LYS 61 HA LYS 61 -6.674 9.383 7.046 497 1HB LYS 61 1HB LYS 61 -5.080 8.923 8.973 498 2HB LYS 61 2HB LYS 61 -3.794 8.829 7.769 499 1HG LYS 61 1HG LYS 61 -3.954 11.085 7.218 500 2HG LYS 61 2HG LYS 61 -5.631 11.201 7.754 501 1HD LYS 61 1HD LYS 61 -3.393 10.647 9.702 502 2HD LYS 61 2HD LYS 61 -3.840 12.294 9.256 503 1HE LYS 61 1HE LYS 61 -6.041 12.046 10.124 504 2HE LYS 61 2HE LYS 61 -5.884 10.293 10.228 505 1HZ LYS 61 1HZ LYS 61 -4.127 10.626 11.894 506 2HZ LYS 61 2HZ LYS 61 -4.411 12.300 11.846 507 3HZ LYS 61 3HZ LYS 61 -5.625 11.250 12.397 508 H LEU 62 H LEU 62 -3.961 7.463 5.782 509 HA LEU 62 HA LEU 62 -3.205 9.284 3.750 510 1HB LEU 62 1HB LEU 62 -2.927 6.289 3.916 511 2HB LEU 62 2HB LEU 62 -2.197 7.266 2.663 512 HG LEU 62 HG LEU 62 -1.573 8.059 5.454 513 1HD1 LEU 62 1HD1 LEU 62 -1.547 5.404 5.067 514 2HD1 LEU 62 2HD1 LEU 62 0.018 5.793 4.353 515 3HD1 LEU 62 3HD1 LEU 62 -0.317 6.223 6.031 516 1HD2 LEU 62 1HD2 LEU 62 -0.340 8.046 2.746 517 2HD2 LEU 62 2HD2 LEU 62 -0.289 9.285 3.999 518 3HD2 LEU 62 3HD2 LEU 62 0.768 7.877 4.108 519 H MET 63 H MET 63 -5.444 6.563 3.833 520 HA MET 63 HA MET 63 -6.126 6.417 1.127 521 1HB MET 63 1HB MET 63 -7.428 5.645 3.676 522 2HB MET 63 2HB MET 63 -8.496 5.808 2.282 523 1HG MET 63 1HG MET 63 -6.576 4.419 1.082 524 2HG MET 63 2HG MET 63 -6.241 3.891 2.731 525 1HE MET 63 1HE MET 63 -7.163 2.900 -0.057 526 2HE MET 63 2HE MET 63 -8.242 1.527 0.223 527 3HE MET 63 3HE MET 63 -8.892 3.058 -0.356 528 H GLN 64 H GLN 64 -7.070 8.739 3.570 529 HA GLN 64 HA GLN 64 -9.029 9.950 1.734 530 1HB GLN 64 1HB GLN 64 -9.567 9.528 4.196 531 2HB GLN 64 2HB GLN 64 -8.431 10.829 4.558 532 1HG GLN 64 1HG GLN 64 -9.724 12.383 3.176 533 2HG GLN 64 2HG GLN 64 -10.834 11.088 2.726 534 2HE2 GLN 64 2HE2 GLN 64 -10.064 13.420 5.196 535 1HE2 GLN 64 1HE2 GLN 64 -11.295 12.979 6.278 536 H GLN 65 H GLN 65 -5.918 10.488 3.237 537 HA GLN 65 HA GLN 65 -5.743 13.275 2.551 538 1HB GLN 65 1HB GLN 65 -3.866 11.218 3.651 539 2HB GLN 65 2HB GLN 65 -3.210 12.720 3.003 540 1HG GLN 65 1HG GLN 65 -5.254 13.695 4.511 541 2HG GLN 65 2HG GLN 65 -4.828 12.261 5.445 542 2HE2 GLN 65 2HE2 GLN 65 -3.711 13.293 7.176 543 1HE2 GLN 65 1HE2 GLN 65 -2.293 14.198 6.952 544 H LEU 66 H LEU 66 -4.850 10.242 1.042 545 HA LEU 66 HA LEU 66 -3.308 11.561 -1.051 546 1HB LEU 66 1HB LEU 66 -3.931 8.735 -0.334 547 2HB LEU 66 2HB LEU 66 -3.399 9.105 -1.956 548 HG LEU 66 HG LEU 66 -1.497 8.430 -0.660 549 1HD1 LEU 66 1HD1 LEU 66 -1.464 10.583 -2.183 550 2HD1 LEU 66 2HD1 LEU 66 -1.176 11.405 -0.650 551 3HD1 LEU 66 3HD1 LEU 66 -0.055 10.163 -1.211 552 1HD2 LEU 66 1HD2 LEU 66 -2.464 8.919 1.569 553 2HD2 LEU 66 2HD2 LEU 66 -0.844 9.595 1.401 554 3HD2 LEU 66 3HD2 LEU 66 -2.255 10.644 1.264 555 HA PRO 67 HA PRO 67 -6.633 11.765 -3.958 556 1HB PRO 67 1HB PRO 67 -5.365 11.259 -6.327 557 2HB PRO 67 2HB PRO 67 -5.204 12.764 -5.424 558 1HG PRO 67 1HG PRO 67 -3.270 10.554 -5.727 559 2HG PRO 67 2HG PRO 67 -2.979 12.270 -5.413 560 1HD PRO 67 1HD PRO 67 -2.894 10.186 -3.507 561 2HD PRO 67 2HD PRO 67 -2.906 11.929 -3.156 562 H VAL 68 H VAL 68 -4.516 9.145 -4.993 563 HA VAL 68 HA VAL 68 -5.032 6.809 -4.839 564 HB VAL 68 HB VAL 68 -7.469 7.348 -4.153 565 1HG1 VAL 68 1HG1 VAL 68 -7.875 8.419 -6.518 566 2HG1 VAL 68 2HG1 VAL 68 -8.107 6.747 -7.031 567 3HG1 VAL 68 3HG1 VAL 68 -9.146 7.439 -5.784 568 1HG2 VAL 68 1HG2 VAL 68 -6.501 5.091 -4.278 569 2HG2 VAL 68 2HG2 VAL 68 -8.178 5.090 -4.820 570 3HG2 VAL 68 3HG2 VAL 68 -6.871 5.025 -6.000 571 H THR 69 H THR 69 -4.987 5.316 -6.571 572 HA THR 69 HA THR 69 -5.059 6.496 -9.264 573 HB THR 69 HB THR 69 -2.719 6.610 -8.580 574 HG1 THR 69 HG1 THR 69 -3.114 4.383 -10.282 575 1HG2 THR 69 1HG2 THR 69 -3.287 4.329 -7.106 576 2HG2 THR 69 2HG2 THR 69 -2.282 3.718 -8.420 577 3HG2 THR 69 3HG2 THR 69 -1.679 5.002 -7.375 578 H ALA 70 H ALA 70 -6.451 5.322 -10.385 579 HA ALA 70 HA ALA 70 -6.147 2.454 -10.583 580 1HB ALA 70 1HB ALA 70 -7.549 2.137 -8.784 581 2HB ALA 70 2HB ALA 70 -8.384 3.670 -9.027 582 3HB ALA 70 3HB ALA 70 -8.751 2.292 -10.065 583 H ARG 71 H ARG 71 -6.043 2.454 -12.750 584 HA ARG 71 HA ARG 71 -8.429 3.312 -14.224 585 1HB ARG 71 1HB ARG 71 -5.623 4.257 -14.851 586 2HB ARG 71 2HB ARG 71 -6.984 4.395 -15.965 587 1HG ARG 71 1HG ARG 71 -8.183 5.542 -13.932 588 2HG ARG 71 2HG ARG 71 -6.539 5.797 -13.345 589 1HD ARG 71 1HD ARG 71 -5.960 6.884 -15.498 590 2HD ARG 71 2HD ARG 71 -7.622 6.672 -16.037 591 HE ARG 71 HE ARG 71 -8.203 8.507 -14.753 592 1HH1 ARG 71 1HH1 ARG 71 -5.134 7.245 -13.635 593 2HH1 ARG 71 2HH1 ARG 71 -4.880 8.542 -12.518 594 1HH2 ARG 71 1HH2 ARG 71 -7.831 10.178 -13.284 595 2HH2 ARG 71 2HH2 ARG 71 -6.392 10.188 -12.320 No H/Q in entry = 595 Start of MODEL 23 1 H1 LEU 1 H1 LEU 1 13.529 -14.376 -1.928 2 H2 LEU 1 H2 LEU 1 14.448 -13.210 -1.105 3 H3 LEU 1 H3 LEU 1 14.887 -14.845 -1.021 4 HA LEU 1 HA LEU 1 13.810 -14.184 1.022 5 1HB LEU 1 1HB LEU 1 12.442 -12.394 -0.267 6 2HB LEU 1 2HB LEU 1 11.311 -13.706 -0.598 7 HG LEU 1 HG LEU 1 12.263 -13.190 2.211 8 1HD1 LEU 1 1HD1 LEU 1 10.109 -11.739 0.665 9 2HD1 LEU 1 2HD1 LEU 1 10.067 -11.869 2.424 10 3HD1 LEU 1 3HD1 LEU 1 11.411 -11.046 1.633 11 1HD2 LEU 1 1HD2 LEU 1 9.930 -14.552 0.867 12 2HD2 LEU 1 2HD2 LEU 1 11.075 -15.224 2.028 13 3HD2 LEU 1 3HD2 LEU 1 9.846 -14.076 2.562 14 H GLY 2 H GLY 2 13.994 -16.300 1.554 15 1HA GLY 2 1HA GLY 2 11.726 -18.017 1.223 16 2HA GLY 2 2HA GLY 2 13.252 -18.446 1.990 17 H ALA 3 H ALA 3 12.106 -20.357 0.516 18 HA ALA 3 HA ALA 3 13.508 -20.316 -2.088 19 1HB ALA 3 1HB ALA 3 13.355 -22.674 -0.194 20 2HB ALA 3 2HB ALA 3 14.782 -21.665 -0.439 21 3HB ALA 3 3HB ALA 3 14.156 -22.644 -1.766 22 H SER 4 H SER 4 10.725 -19.772 -1.461 23 HA SER 4 HA SER 4 9.292 -22.158 -2.374 24 1HB SER 4 1HB SER 4 8.498 -20.424 -0.560 25 2HB SER 4 2HB SER 4 7.979 -19.495 -1.963 26 HG SER 4 HG SER 4 6.372 -20.823 -2.145 27 H TRP 5 H TRP 5 7.317 -21.284 -3.905 28 HA TRP 5 HA TRP 5 8.294 -19.551 -6.025 29 1HB TRP 5 1HB TRP 5 7.959 -21.302 -7.783 30 2HB TRP 5 2HB TRP 5 9.332 -21.621 -6.725 31 HD1 TRP 5 HD1 TRP 5 9.180 -23.656 -5.068 32 HE1 TRP 5 HE1 TRP 5 7.566 -25.660 -4.900 33 HE3 TRP 5 HE3 TRP 5 5.443 -22.042 -8.152 34 HZ2 TRP 5 HZ2 TRP 5 5.027 -26.472 -5.938 35 HZ3 TRP 5 HZ3 TRP 5 3.441 -23.449 -8.545 36 HH2 TRP 5 HH2 TRP 5 3.228 -25.659 -7.442 37 H HIS 6 H HIS 6 6.662 -18.660 -7.197 38 HA HIS 6 HA HIS 6 4.071 -19.768 -7.499 39 1HB HIS 6 1HB HIS 6 2.831 -18.133 -6.064 40 2HB HIS 6 2HB HIS 6 3.766 -19.311 -5.142 41 HD1 HIS 6 HD1 HIS 6 3.101 -15.837 -5.158 42 HD2 HIS 6 HD2 HIS 6 6.585 -18.073 -4.678 43 HE1 HIS 6 HE1 HIS 6 4.776 -14.317 -4.018 44 H ARG 7 H ARG 7 2.597 -18.303 -8.589 45 HA ARG 7 HA ARG 7 3.775 -15.798 -9.565 46 1HB ARG 7 1HB ARG 7 3.158 -16.419 -11.919 47 2HB ARG 7 2HB ARG 7 4.486 -17.372 -11.254 48 1HG ARG 7 1HG ARG 7 3.194 -19.290 -11.051 49 2HG ARG 7 2HG ARG 7 1.685 -18.385 -10.922 50 1HD ARG 7 1HD ARG 7 1.532 -19.239 -13.086 51 2HD ARG 7 2HD ARG 7 2.227 -17.648 -13.376 52 HE ARG 7 HE ARG 7 4.096 -18.721 -14.199 53 1HH1 ARG 7 1HH1 ARG 7 2.429 -20.883 -12.008 54 2HH1 ARG 7 2HH1 ARG 7 3.514 -22.198 -12.299 55 1HH2 ARG 7 1HH2 ARG 7 5.487 -20.462 -14.549 56 2HH2 ARG 7 2HH2 ARG 7 5.232 -21.964 -13.725 57 HA PRO 8 HA PRO 8 -0.840 -15.671 -8.884 58 1HB PRO 8 1HB PRO 8 -0.871 -13.983 -6.736 59 2HB PRO 8 2HB PRO 8 -0.767 -15.744 -6.598 60 1HG PRO 8 1HG PRO 8 1.325 -13.703 -6.156 61 2HG PRO 8 2HG PRO 8 1.189 -15.340 -5.498 62 1HD PRO 8 1HD PRO 8 2.856 -14.501 -7.652 63 2HD PRO 8 2HD PRO 8 2.560 -16.173 -7.119 64 H ASP 9 H ASP 9 -2.260 -13.621 -8.742 65 HA ASP 9 HA ASP 9 -1.419 -11.791 -10.755 66 1HB ASP 9 1HB ASP 9 -3.786 -11.832 -8.884 67 2HB ASP 9 2HB ASP 9 -3.529 -10.537 -10.053 68 H LYS 10 H LYS 10 -2.601 -10.842 -7.550 69 HA LYS 10 HA LYS 10 -0.260 -9.577 -6.637 70 1HB LYS 10 1HB LYS 10 -1.279 -8.159 -8.759 71 2HB LYS 10 2HB LYS 10 -2.045 -7.353 -7.390 72 1HG LYS 10 1HG LYS 10 0.915 -7.954 -7.420 73 2HG LYS 10 2HG LYS 10 0.263 -6.472 -8.119 74 1HD LYS 10 1HD LYS 10 -0.738 -5.854 -5.986 75 2HD LYS 10 2HD LYS 10 -0.227 -7.382 -5.269 76 1HE LYS 10 1HE LYS 10 1.292 -5.470 -4.701 77 2HE LYS 10 2HE LYS 10 2.113 -6.785 -5.539 78 1HZ LYS 10 1HZ LYS 10 0.950 -4.584 -7.100 79 2HZ LYS 10 2HZ LYS 10 2.440 -4.348 -6.318 80 3HZ LYS 10 3HZ LYS 10 2.275 -5.584 -7.467 81 H CYS 11 H CYS 11 -2.390 -11.143 -5.600 82 HA CYS 11 HA CYS 11 -4.327 -9.666 -4.182 83 1HB CYS 11 1HB CYS 11 -3.051 -12.281 -3.345 84 2HB CYS 11 2HB CYS 11 -4.611 -11.653 -2.817 85 H CYS 12 H CYS 12 -1.084 -10.782 -3.267 86 HA CYS 12 HA CYS 12 0.351 -10.114 -1.601 87 1HB CYS 12 1HB CYS 12 -0.334 -7.836 -2.668 88 2HB CYS 12 2HB CYS 12 -1.292 -7.630 -1.201 89 H LEU 13 H LEU 13 -0.600 -11.876 -0.350 90 HA LEU 13 HA LEU 13 -2.723 -11.521 1.479 91 1HB LEU 13 1HB LEU 13 -1.606 -13.697 0.734 92 2HB LEU 13 2HB LEU 13 -0.369 -13.340 1.920 93 HG LEU 13 HG LEU 13 -3.245 -13.409 2.769 94 1HD1 LEU 13 1HD1 LEU 13 -2.851 -15.481 1.462 95 2HD1 LEU 13 2HD1 LEU 13 -1.434 -15.824 2.455 96 3HD1 LEU 13 3HD1 LEU 13 -3.042 -15.821 3.182 97 1HD2 LEU 13 1HD2 LEU 13 -0.578 -14.060 4.061 98 2HD2 LEU 13 2HD2 LEU 13 -1.585 -12.647 4.380 99 3HD2 LEU 13 3HD2 LEU 13 -2.139 -14.252 4.859 100 H GLY 14 H GLY 14 0.770 -11.089 1.779 101 1HA GLY 14 1HA GLY 14 2.057 -10.263 3.534 102 2HA GLY 14 2HA GLY 14 0.634 -10.341 4.568 103 H TYR 15 H TYR 15 1.106 -8.265 5.415 104 HA TYR 15 HA TYR 15 0.698 -6.030 3.520 105 1HB TYR 15 1HB TYR 15 -0.548 -6.411 6.251 106 2HB TYR 15 2HB TYR 15 -0.559 -4.881 5.375 107 HD1 TYR 15 HD1 TYR 15 -1.809 -4.633 3.277 108 HD2 TYR 15 HD2 TYR 15 -1.883 -8.305 5.499 109 HE1 TYR 15 HE1 TYR 15 -3.766 -5.386 1.960 110 HE2 TYR 15 HE2 TYR 15 -3.842 -9.063 4.179 111 HH TYR 15 HH TYR 15 -4.871 -7.455 1.332 112 H GLN 16 H GLN 16 1.224 -3.880 4.717 113 HA GLN 16 HA GLN 16 3.970 -3.850 5.291 114 1HB GLN 16 1HB GLN 16 2.682 -1.861 4.530 115 2HB GLN 16 2HB GLN 16 1.916 -1.782 6.110 116 1HG GLN 16 1HG GLN 16 3.852 -0.214 5.882 117 2HG GLN 16 2HG GLN 16 4.056 -1.375 7.187 118 2HE2 GLN 16 2HE2 GLN 16 4.494 -2.302 3.776 119 1HE2 GLN 16 1HE2 GLN 16 6.170 -2.529 3.885 120 H LYS 17 H LYS 17 1.243 -3.354 7.503 121 HA LYS 17 HA LYS 17 0.940 -4.089 9.686 122 1HB LYS 17 1HB LYS 17 2.917 -5.786 9.105 123 2HB LYS 17 2HB LYS 17 3.811 -4.709 10.177 124 1HG LYS 17 1HG LYS 17 1.871 -4.960 11.823 125 2HG LYS 17 2HG LYS 17 1.306 -6.283 10.800 126 1HD LYS 17 1HD LYS 17 3.563 -7.357 11.053 127 2HD LYS 17 2HD LYS 17 3.979 -6.098 12.216 128 1HE LYS 17 1HE LYS 17 1.667 -6.858 13.309 129 2HE LYS 17 2HE LYS 17 2.057 -8.368 12.486 130 1HZ LYS 17 1HZ LYS 17 4.073 -6.977 14.128 131 2HZ LYS 17 2HZ LYS 17 2.930 -8.009 14.848 132 3HZ LYS 17 3HZ LYS 17 4.009 -8.613 13.681 133 H ARG 18 H ARG 18 3.912 -2.312 8.916 134 HA ARG 18 HA ARG 18 3.560 -0.710 11.354 135 1HB ARG 18 1HB ARG 18 5.809 0.216 10.765 136 2HB ARG 18 2HB ARG 18 5.820 -1.529 11.027 137 1HG ARG 18 1HG ARG 18 5.890 -1.983 8.687 138 2HG ARG 18 2HG ARG 18 5.486 -0.315 8.279 139 1HD ARG 18 1HD ARG 18 7.617 0.456 8.711 140 2HD ARG 18 2HD ARG 18 7.935 -0.785 9.919 141 HE ARG 18 HE ARG 18 7.728 -2.109 7.481 142 1HH1 ARG 18 1HH1 ARG 18 9.753 0.373 8.893 143 2HH1 ARG 18 2HH1 ARG 18 11.134 -0.052 7.941 144 1HH2 ARG 18 1HH2 ARG 18 9.552 -2.629 6.259 145 2HH2 ARG 18 2HH2 ARG 18 11.022 -1.737 6.461 146 HA PRO 19 HA PRO 19 1.985 2.593 8.857 147 1HB PRO 19 1HB PRO 19 2.270 4.654 10.626 148 2HB PRO 19 2HB PRO 19 1.032 3.399 10.768 149 1HG PRO 19 1HG PRO 19 3.474 3.805 12.371 150 2HG PRO 19 2HG PRO 19 1.983 2.946 12.784 151 1HD PRO 19 1HD PRO 19 4.466 1.790 11.959 152 2HD PRO 19 2HD PRO 19 2.925 0.947 12.238 153 H LEU 20 H LEU 20 2.801 3.804 7.254 154 HA LEU 20 HA LEU 20 5.574 4.790 7.500 155 1HB LEU 20 1HB LEU 20 4.223 4.913 4.875 156 2HB LEU 20 2HB LEU 20 5.866 4.467 5.272 157 HG LEU 20 HG LEU 20 3.404 2.716 5.408 158 1HD1 LEU 20 1HD1 LEU 20 5.799 2.974 3.629 159 2HD1 LEU 20 2HD1 LEU 20 5.118 1.369 3.894 160 3HD1 LEU 20 3HD1 LEU 20 4.119 2.648 3.203 161 1HD2 LEU 20 1HD2 LEU 20 6.102 2.464 6.653 162 2HD2 LEU 20 2HD2 LEU 20 4.549 1.835 7.203 163 3HD2 LEU 20 3HD2 LEU 20 5.423 1.017 5.908 164 HA PRO 21 HA PRO 21 4.112 8.958 7.303 165 1HB PRO 21 1HB PRO 21 6.176 10.217 6.017 166 2HB PRO 21 2HB PRO 21 6.259 9.635 7.691 167 1HG PRO 21 1HG PRO 21 7.537 8.540 5.266 168 2HG PRO 21 2HG PRO 21 7.998 8.356 6.962 169 1HD PRO 21 1HD PRO 21 6.626 6.445 5.340 170 2HD PRO 21 2HD PRO 21 6.946 6.336 7.087 171 H GLN 22 H GLN 22 2.655 10.005 6.091 172 HA GLN 22 HA GLN 22 2.046 9.303 3.428 173 1HB GLN 22 1HB GLN 22 0.435 10.341 5.030 174 2HB GLN 22 2HB GLN 22 1.302 11.867 4.862 175 1HG GLN 22 1HG GLN 22 0.535 10.583 2.307 176 2HG GLN 22 2HG GLN 22 -0.815 11.135 3.296 177 2HE2 GLN 22 2HE2 GLN 22 -1.244 12.898 1.748 178 1HE2 GLN 22 1HE2 GLN 22 -0.238 14.264 1.696 179 H VAL 23 H VAL 23 4.127 11.752 4.808 180 HA VAL 23 HA VAL 23 4.435 13.419 2.573 181 HB VAL 23 HB VAL 23 5.230 14.140 4.736 182 1HG1 VAL 23 1HG1 VAL 23 6.885 11.631 4.581 183 2HG1 VAL 23 2HG1 VAL 23 7.362 12.969 5.625 184 3HG1 VAL 23 3HG1 VAL 23 5.810 12.168 5.869 185 1HG2 VAL 23 1HG2 VAL 23 6.604 14.623 2.514 186 2HG2 VAL 23 2HG2 VAL 23 7.207 15.150 4.085 187 3HG2 VAL 23 3HG2 VAL 23 7.839 13.678 3.347 188 H LEU 24 H LEU 24 5.882 10.352 3.397 189 HA LEU 24 HA LEU 24 7.812 10.448 1.234 190 1HB LEU 24 1HB LEU 24 8.591 9.205 3.037 191 2HB LEU 24 2HB LEU 24 7.027 8.509 3.368 192 HG LEU 24 HG LEU 24 8.895 6.964 2.511 193 1HD1 LEU 24 1HD1 LEU 24 6.221 6.761 2.470 194 2HD1 LEU 24 2HD1 LEU 24 6.514 6.718 0.733 195 3HD1 LEU 24 3HD1 LEU 24 7.263 5.516 1.783 196 1HD2 LEU 24 1HD2 LEU 24 9.029 8.831 0.465 197 2HD2 LEU 24 2HD2 LEU 24 9.699 7.201 0.402 198 3HD2 LEU 24 3HD2 LEU 24 8.100 7.522 -0.265 199 H LEU 25 H LEU 25 4.782 8.841 1.990 200 HA LEU 25 HA LEU 25 4.589 7.290 -0.372 201 1HB LEU 25 1HB LEU 25 3.235 7.350 1.955 202 2HB LEU 25 2HB LEU 25 2.105 8.207 0.938 203 HG LEU 25 HG LEU 25 1.825 6.303 -0.492 204 1HD1 LEU 25 1HD1 LEU 25 4.335 5.411 0.842 205 2HD1 LEU 25 2HD1 LEU 25 3.166 4.158 0.427 206 3HD1 LEU 25 3HD1 LEU 25 3.818 5.207 -0.831 207 1HD2 LEU 25 1HD2 LEU 25 1.790 5.788 2.471 208 2HD2 LEU 25 2HD2 LEU 25 0.432 6.028 1.372 209 3HD2 LEU 25 3HD2 LEU 25 1.323 4.507 1.352 210 H SER 26 H SER 26 2.568 7.576 -1.837 211 HA SER 26 HA SER 26 2.273 10.416 -2.605 212 1HB SER 26 1HB SER 26 3.932 9.464 -4.110 213 2HB SER 26 2HB SER 26 2.867 8.115 -4.479 214 HG SER 26 HG SER 26 2.793 9.834 -6.037 215 H SER 27 H SER 27 1.143 7.307 -3.937 216 HA SER 27 HA SER 27 -1.638 8.100 -3.326 217 1HB SER 27 1HB SER 27 -1.176 6.758 -5.925 218 2HB SER 27 2HB SER 27 -2.362 7.980 -5.484 219 HG SER 27 HG SER 27 -0.742 9.529 -5.590 220 H TRP 28 H TRP 28 -2.943 5.984 -4.482 221 HA TRP 28 HA TRP 28 -1.683 3.490 -3.659 222 1HB TRP 28 1HB TRP 28 -3.604 2.910 -2.143 223 2HB TRP 28 2HB TRP 28 -2.549 4.176 -1.520 224 HD1 TRP 28 HD1 TRP 28 -3.444 6.695 -1.612 225 HE1 TRP 28 HE1 TRP 28 -5.838 7.649 -1.678 226 HE3 TRP 28 HE3 TRP 28 -6.030 2.500 -2.983 227 HZ2 TRP 28 HZ2 TRP 28 -8.494 6.749 -2.246 228 HZ3 TRP 28 HZ3 TRP 28 -8.485 2.583 -3.282 229 HH2 TRP 28 HH2 TRP 28 -9.721 4.701 -2.914 230 H TYR 29 H TYR 29 -2.514 1.745 -4.708 231 HA TYR 29 HA TYR 29 -4.950 2.214 -6.318 232 1HB TYR 29 1HB TYR 29 -4.040 0.900 -8.127 233 2HB TYR 29 2HB TYR 29 -2.894 2.173 -7.729 234 HD1 TYR 29 HD1 TYR 29 -0.913 1.570 -6.175 235 HD2 TYR 29 HD2 TYR 29 -3.404 -1.362 -8.088 236 HE1 TYR 29 HE1 TYR 29 0.848 -0.140 -5.852 237 HE2 TYR 29 HE2 TYR 29 -1.640 -3.072 -7.762 238 HH TYR 29 HH TYR 29 0.510 -3.140 -5.791 239 HA PRO 30 HA PRO 30 -6.365 -1.430 -4.236 240 1HB PRO 30 1HB PRO 30 -8.594 -1.933 -5.731 241 2HB PRO 30 2HB PRO 30 -8.479 -0.625 -4.545 242 1HG PRO 30 1HG PRO 30 -8.468 -0.486 -7.498 243 2HG PRO 30 2HG PRO 30 -8.942 0.739 -6.314 244 1HD PRO 30 1HD PRO 30 -6.486 0.622 -7.746 245 2HD PRO 30 2HD PRO 30 -6.883 1.715 -6.400 246 H THR 31 H THR 31 -6.416 -3.673 -4.393 247 HA THR 31 HA THR 31 -5.305 -4.788 -6.886 248 HB THR 31 HB THR 31 -3.972 -5.230 -4.894 249 HG1 THR 31 HG1 THR 31 -4.135 -7.560 -4.943 250 1HG2 THR 31 1HG2 THR 31 -6.638 -5.893 -3.780 251 2HG2 THR 31 2HG2 THR 31 -5.301 -6.918 -3.258 252 3HG2 THR 31 3HG2 THR 31 -5.233 -5.177 -2.991 253 H SER 32 H SER 32 -5.974 -7.312 -6.929 254 HA SER 32 HA SER 32 -8.637 -7.392 -7.820 255 1HB SER 32 1HB SER 32 -7.095 -9.043 -8.628 256 2HB SER 32 2HB SER 32 -6.758 -9.613 -6.996 257 HG SER 32 HG SER 32 -9.183 -9.802 -8.461 258 H GLN 33 H GLN 33 -10.536 -8.033 -6.917 259 HA GLN 33 HA GLN 33 -10.640 -8.072 -3.997 260 1HB GLN 33 1HB GLN 33 -12.227 -6.702 -5.436 261 2HB GLN 33 2HB GLN 33 -12.974 -8.229 -5.907 262 1HG GLN 33 1HG GLN 33 -13.867 -8.600 -3.818 263 2HG GLN 33 2HG GLN 33 -12.555 -7.757 -2.992 264 2HE2 GLN 33 2HE2 GLN 33 -13.730 -6.174 -1.831 265 1HE2 GLN 33 1HE2 GLN 33 -14.739 -5.025 -2.569 266 H LEU 34 H LEU 34 -11.040 -10.227 -6.719 267 HA LEU 34 HA LEU 34 -12.518 -12.294 -5.562 268 1HB LEU 34 1HB LEU 34 -10.339 -12.325 -7.635 269 2HB LEU 34 2HB LEU 34 -11.173 -13.781 -7.142 270 HG LEU 34 HG LEU 34 -12.217 -13.063 -9.149 271 1HD1 LEU 34 1HD1 LEU 34 -13.713 -13.602 -7.106 272 2HD1 LEU 34 2HD1 LEU 34 -14.033 -11.868 -7.058 273 3HD1 LEU 34 3HD1 LEU 34 -14.468 -12.806 -8.487 274 1HD2 LEU 34 1HD2 LEU 34 -11.248 -10.679 -8.862 275 2HD2 LEU 34 2HD2 LEU 34 -12.810 -10.834 -9.666 276 3HD2 LEU 34 3HD2 LEU 34 -12.734 -10.331 -7.978 277 H CYS 35 H CYS 35 -9.212 -11.336 -5.036 278 HA CYS 35 HA CYS 35 -8.125 -13.722 -4.037 279 1HB CYS 35 1HB CYS 35 -7.522 -10.905 -3.105 280 2HB CYS 35 2HB CYS 35 -6.486 -12.319 -2.901 281 H SER 36 H SER 36 -8.049 -14.650 -2.023 282 HA SER 36 HA SER 36 -10.301 -14.418 -0.353 283 1HB SER 36 1HB SER 36 -8.539 -16.341 -0.571 284 2HB SER 36 2HB SER 36 -7.690 -15.457 0.694 285 HG SER 36 HG SER 36 -9.178 -16.028 2.075 286 H LYS 37 H LYS 37 -7.069 -13.028 -0.128 287 HA LYS 37 HA LYS 37 -8.027 -11.339 2.107 288 1HB LYS 37 1HB LYS 37 -6.168 -13.075 2.596 289 2HB LYS 37 2HB LYS 37 -5.124 -12.003 1.664 290 1HG LYS 37 1HG LYS 37 -5.064 -10.431 3.304 291 2HG LYS 37 2HG LYS 37 -6.781 -10.609 3.667 292 1HD LYS 37 1HD LYS 37 -5.968 -11.538 5.597 293 2HD LYS 37 2HD LYS 37 -5.886 -12.985 4.591 294 1HE LYS 37 1HE LYS 37 -3.702 -13.003 5.260 295 2HE LYS 37 2HE LYS 37 -3.510 -11.826 3.960 296 1HZ LYS 37 1HZ LYS 37 -4.196 -10.160 5.812 297 2HZ LYS 37 2HZ LYS 37 -3.669 -11.384 6.860 298 3HZ LYS 37 3HZ LYS 37 -2.593 -10.719 5.725 299 HA PRO 38 HA PRO 38 -6.782 -8.584 -1.381 300 1HB PRO 38 1HB PRO 38 -9.086 -7.124 -1.478 301 2HB PRO 38 2HB PRO 38 -8.847 -8.640 -2.359 302 1HG PRO 38 1HG PRO 38 -10.492 -8.103 0.038 303 2HG PRO 38 2HG PRO 38 -10.653 -9.379 -1.178 304 1HD PRO 38 1HD PRO 38 -9.521 -9.631 1.430 305 2HD PRO 38 2HD PRO 38 -9.519 -10.856 0.139 306 H GLY 39 H GLY 39 -6.732 -6.145 -1.464 307 1HA GLY 39 1HA GLY 39 -5.591 -5.053 0.854 308 2HA GLY 39 2HA GLY 39 -7.269 -4.518 0.781 309 H VAL 40 H VAL 40 -4.661 -3.054 0.444 310 HA VAL 40 HA VAL 40 -4.817 -2.201 -2.357 311 HB VAL 40 HB VAL 40 -5.055 -0.200 -0.101 312 1HG1 VAL 40 1HG1 VAL 40 -4.064 0.191 -2.585 313 2HG1 VAL 40 2HG1 VAL 40 -5.780 0.422 -2.908 314 3HG1 VAL 40 3HG1 VAL 40 -4.966 1.419 -1.704 315 1HG2 VAL 40 1HG2 VAL 40 -7.133 -1.419 -1.926 316 2HG2 VAL 40 2HG2 VAL 40 -7.139 -1.371 -0.163 317 3HG2 VAL 40 3HG2 VAL 40 -7.383 0.111 -1.086 318 H ILE 41 H ILE 41 -2.935 -1.472 -3.159 319 HA ILE 41 HA ILE 41 -0.598 -1.591 -1.387 320 HB ILE 41 HB ILE 41 -0.938 -1.714 -4.391 321 1HG1 ILE 41 1HG1 ILE 41 0.342 -3.884 -3.946 322 2HG1 ILE 41 2HG1 ILE 41 0.040 -3.586 -2.234 323 1HG2 ILE 41 1HG2 ILE 41 1.072 -0.343 -3.889 324 2HG2 ILE 41 2HG2 ILE 41 1.672 -1.629 -2.840 325 3HG2 ILE 41 3HG2 ILE 41 1.510 -1.908 -4.574 326 1HD1 ILE 41 1HD1 ILE 41 -2.257 -3.466 -4.159 327 2HD1 ILE 41 2HD1 ILE 41 -1.660 -5.039 -3.632 328 3HD1 ILE 41 3HD1 ILE 41 -2.260 -3.880 -2.445 329 H PHE 42 H PHE 42 1.022 0.071 -1.522 330 HA PHE 42 HA PHE 42 -0.070 2.704 -2.325 331 1HB PHE 42 1HB PHE 42 1.553 1.918 0.093 332 2HB PHE 42 2HB PHE 42 1.481 3.585 -0.477 333 HD1 PHE 42 HD1 PHE 42 -0.593 0.727 0.703 334 HD2 PHE 42 HD2 PHE 42 -0.420 4.946 -0.077 335 HE1 PHE 42 HE1 PHE 42 -2.771 1.028 1.848 336 HE2 PHE 42 HE2 PHE 42 -2.599 5.246 1.068 337 HZ PHE 42 HZ PHE 42 -3.772 3.290 2.034 338 H LEU 43 H LEU 43 1.106 3.794 -3.758 339 HA LEU 43 HA LEU 43 3.781 2.779 -4.441 340 1HB LEU 43 1HB LEU 43 2.539 4.983 -5.992 341 2HB LEU 43 2HB LEU 43 3.511 3.638 -6.541 342 HG LEU 43 HG LEU 43 1.261 2.313 -5.801 343 1HD1 LEU 43 1HD1 LEU 43 0.354 4.751 -5.328 344 2HD1 LEU 43 2HD1 LEU 43 0.126 4.781 -7.075 345 3HD1 LEU 43 3HD1 LEU 43 -0.685 3.555 -6.102 346 1HD2 LEU 43 1HD2 LEU 43 2.316 3.474 -8.319 347 2HD2 LEU 43 2HD2 LEU 43 1.865 1.810 -7.950 348 3HD2 LEU 43 3HD2 LEU 43 0.622 2.988 -8.370 349 H THR 44 H THR 44 5.268 3.682 -3.082 350 HA THR 44 HA THR 44 5.040 6.285 -1.983 351 HB THR 44 HB THR 44 7.361 6.001 -1.300 352 HG1 THR 44 HG1 THR 44 7.282 3.837 -3.124 353 1HG2 THR 44 1HG2 THR 44 5.444 3.723 -1.085 354 2HG2 THR 44 2HG2 THR 44 7.090 3.469 -0.506 355 3HG2 THR 44 3HG2 THR 44 6.104 4.759 0.180 356 H LYS 45 H LYS 45 6.677 8.037 -2.393 357 HA LYS 45 HA LYS 45 6.470 8.995 -5.024 358 1HB LYS 45 1HB LYS 45 8.318 9.752 -2.759 359 2HB LYS 45 2HB LYS 45 8.302 10.607 -4.302 360 1HG LYS 45 1HG LYS 45 6.261 11.569 -3.905 361 2HG LYS 45 2HG LYS 45 5.656 10.167 -3.022 362 1HD LYS 45 1HD LYS 45 5.925 11.566 -1.226 363 2HD LYS 45 2HD LYS 45 7.581 10.964 -1.307 364 1HE LYS 45 1HE LYS 45 8.003 13.237 -1.320 365 2HE LYS 45 2HE LYS 45 7.840 12.961 -3.054 366 1HZ LYS 45 1HZ LYS 45 5.404 13.464 -2.714 367 2HZ LYS 45 2HZ LYS 45 5.824 14.048 -1.179 368 3HZ LYS 45 3HZ LYS 45 6.470 14.779 -2.570 369 H ARG 46 H ARG 46 9.364 7.777 -3.337 370 HA ARG 46 HA ARG 46 10.414 6.874 -5.950 371 1HB ARG 46 1HB ARG 46 11.500 9.003 -5.146 372 2HB ARG 46 2HB ARG 46 12.096 8.084 -3.762 373 1HG ARG 46 1HG ARG 46 13.584 6.868 -5.029 374 2HG ARG 46 2HG ARG 46 12.565 6.925 -6.469 375 1HD ARG 46 1HD ARG 46 13.289 9.070 -7.057 376 2HD ARG 46 2HD ARG 46 13.812 9.449 -5.419 377 HE ARG 46 HE ARG 46 15.872 8.533 -5.941 378 1HH1 ARG 46 1HH1 ARG 46 13.483 7.340 -8.203 379 2HH1 ARG 46 2HH1 ARG 46 14.649 6.515 -9.175 380 1HH2 ARG 46 1HH2 ARG 46 17.361 7.443 -7.237 381 2HH2 ARG 46 2HH2 ARG 46 16.828 6.571 -8.635 382 H GLY 47 H GLY 47 9.389 5.851 -2.988 383 1HA GLY 47 1HA GLY 47 9.953 4.120 -1.559 384 2HA GLY 47 2HA GLY 47 11.528 4.034 -2.337 385 H ARG 48 H ARG 48 8.548 2.543 -1.958 386 HA ARG 48 HA ARG 48 8.560 1.113 -4.495 387 1HB ARG 48 1HB ARG 48 9.728 0.008 -2.024 388 2HB ARG 48 2HB ARG 48 8.550 -1.046 -2.799 389 1HG ARG 48 1HG ARG 48 9.816 -0.579 -4.989 390 2HG ARG 48 2HG ARG 48 11.096 0.082 -3.969 391 1HD ARG 48 1HD ARG 48 11.644 -2.221 -4.337 392 2HD ARG 48 2HD ARG 48 11.050 -2.104 -2.683 393 HE ARG 48 HE ARG 48 8.891 -2.712 -4.412 394 1HH1 ARG 48 1HH1 ARG 48 11.784 -4.157 -3.072 395 2HH1 ARG 48 2HH1 ARG 48 11.152 -5.764 -3.144 396 1HH2 ARG 48 1HH2 ARG 48 8.104 -4.825 -4.488 397 2HH2 ARG 48 2HH2 ARG 48 9.087 -6.142 -3.939 398 H GLN 49 H GLN 49 6.966 -0.980 -3.955 399 HA GLN 49 HA GLN 49 4.435 0.276 -3.400 400 1HB GLN 49 1HB GLN 49 5.143 -2.587 -4.040 401 2HB GLN 49 2HB GLN 49 3.508 -1.949 -3.924 402 1HG GLN 49 1HG GLN 49 5.642 -1.033 -5.871 403 2HG GLN 49 2HG GLN 49 4.220 -1.991 -6.259 404 2HE2 GLN 49 2HE2 GLN 49 4.809 0.631 -7.409 405 1HE2 GLN 49 1HE2 GLN 49 3.563 1.677 -6.923 406 H VAL 50 H VAL 50 2.921 -0.482 -1.800 407 HA VAL 50 HA VAL 50 3.992 -2.099 0.393 408 HB VAL 50 HB VAL 50 2.972 0.724 0.796 409 1HG1 VAL 50 1HG1 VAL 50 3.087 -1.567 2.573 410 2HG1 VAL 50 2HG1 VAL 50 4.151 -0.286 3.157 411 3HG1 VAL 50 3HG1 VAL 50 2.442 0.044 2.881 412 1HG2 VAL 50 1HG2 VAL 50 5.703 -0.553 1.067 413 2HG2 VAL 50 2HG2 VAL 50 5.242 0.770 -0.003 414 3HG2 VAL 50 3HG2 VAL 50 5.302 1.027 1.740 415 H CYS 51 H CYS 51 2.497 -3.574 0.767 416 HA CYS 51 HA CYS 51 -0.274 -3.189 0.027 417 1HB CYS 51 1HB CYS 51 1.050 -5.451 1.549 418 2HB CYS 51 2HB CYS 51 -0.583 -5.472 0.888 419 H ALA 52 H ALA 52 -1.898 -2.521 1.333 420 HA ALA 52 HA ALA 52 -1.635 -2.789 4.226 421 1HB ALA 52 1HB ALA 52 -0.724 -0.452 3.133 422 2HB ALA 52 2HB ALA 52 -2.404 -0.048 3.482 423 3HB ALA 52 3HB ALA 52 -1.347 -0.616 4.774 424 H ASP 53 H ASP 53 -3.531 -3.206 5.132 425 HA ASP 53 HA ASP 53 -5.929 -3.169 3.485 426 1HB ASP 53 1HB ASP 53 -5.276 -4.211 6.236 427 2HB ASP 53 2HB ASP 53 -6.945 -4.101 5.675 428 H LYS 54 H LYS 54 -7.560 -1.738 3.625 429 HA LYS 54 HA LYS 54 -7.218 0.773 4.810 430 1HB LYS 54 1HB LYS 54 -8.823 0.216 2.953 431 2HB LYS 54 2HB LYS 54 -9.883 -0.502 4.167 432 1HG LYS 54 1HG LYS 54 -9.857 1.688 5.396 433 2HG LYS 54 2HG LYS 54 -8.956 2.380 4.047 434 1HD LYS 54 1HD LYS 54 -10.861 1.536 2.548 435 2HD LYS 54 2HD LYS 54 -11.772 1.286 4.037 436 1HE LYS 54 1HE LYS 54 -11.647 3.615 4.604 437 2HE LYS 54 2HE LYS 54 -10.473 3.926 3.325 438 1HZ LYS 54 1HZ LYS 54 -12.280 3.085 1.767 439 2HZ LYS 54 2HZ LYS 54 -13.348 3.298 3.068 440 3HZ LYS 54 3HZ LYS 54 -12.493 4.628 2.447 441 H SER 55 H SER 55 -8.351 -2.204 6.189 442 HA SER 55 HA SER 55 -9.961 -1.292 8.284 443 1HB SER 55 1HB SER 55 -8.797 -3.390 9.463 444 2HB SER 55 2HB SER 55 -10.005 -3.578 8.196 445 HG SER 55 HG SER 55 -7.415 -4.284 8.199 446 H LYS 56 H LYS 56 -6.492 -1.198 7.875 447 HA LYS 56 HA LYS 56 -5.701 -0.837 10.554 448 1HB LYS 56 1HB LYS 56 -4.439 0.364 8.077 449 2HB LYS 56 2HB LYS 56 -3.662 0.149 9.647 450 1HG LYS 56 1HG LYS 56 -4.892 -2.267 8.410 451 2HG LYS 56 2HG LYS 56 -3.409 -1.657 7.674 452 1HD LYS 56 1HD LYS 56 -2.127 -2.148 9.514 453 2HD LYS 56 2HD LYS 56 -3.448 -1.845 10.644 454 1HE LYS 56 1HE LYS 56 -4.470 -3.996 9.422 455 2HE LYS 56 2HE LYS 56 -2.760 -4.337 9.155 456 1HZ LYS 56 1HZ LYS 56 -2.475 -3.875 11.605 457 2HZ LYS 56 2HZ LYS 56 -4.164 -3.953 11.732 458 3HZ LYS 56 3HZ LYS 56 -3.291 -5.310 11.203 459 H ASP 57 H ASP 57 -4.436 1.476 10.915 460 HA ASP 57 HA ASP 57 -6.624 3.460 10.865 461 1HB ASP 57 1HB ASP 57 -5.361 4.545 12.742 462 2HB ASP 57 2HB ASP 57 -5.955 2.928 13.121 463 H TRP 58 H TRP 58 -3.113 3.106 10.430 464 HA TRP 58 HA TRP 58 -2.777 5.807 9.525 465 1HB TRP 58 1HB TRP 58 -0.506 5.110 8.882 466 2HB TRP 58 2HB TRP 58 -0.893 4.630 10.529 467 HD1 TRP 58 HD1 TRP 58 -1.310 2.031 10.996 468 HE1 TRP 58 HE1 TRP 58 -0.543 -0.068 9.714 469 HE3 TRP 58 HE3 TRP 58 -0.055 4.138 6.525 470 HZ2 TRP 58 HZ2 TRP 58 0.473 -0.765 7.117 471 HZ3 TRP 58 HZ3 TRP 58 0.810 2.745 4.671 472 HH2 TRP 58 HH2 TRP 58 1.074 0.301 4.962 473 H VAL 59 H VAL 59 -3.573 2.775 8.013 474 HA VAL 59 HA VAL 59 -2.966 3.608 5.331 475 HB VAL 59 HB VAL 59 -4.792 1.389 6.284 476 1HG1 VAL 59 1HG1 VAL 59 -3.427 1.941 3.630 477 2HG1 VAL 59 2HG1 VAL 59 -4.263 0.441 4.028 478 3HG1 VAL 59 3HG1 VAL 59 -5.164 1.955 3.937 479 1HG2 VAL 59 1HG2 VAL 59 -2.465 1.229 7.153 480 2HG2 VAL 59 2HG2 VAL 59 -2.826 -0.050 5.992 481 3HG2 VAL 59 3HG2 VAL 59 -1.860 1.341 5.499 482 H LYS 60 H LYS 60 -5.740 3.759 7.468 483 HA LYS 60 HA LYS 60 -7.689 4.415 5.501 484 1HB LYS 60 1HB LYS 60 -8.077 3.668 7.932 485 2HB LYS 60 2HB LYS 60 -7.774 5.352 8.365 486 1HG LYS 60 1HG LYS 60 -9.577 6.077 6.853 487 2HG LYS 60 2HG LYS 60 -9.876 4.399 6.396 488 1HD LYS 60 1HD LYS 60 -10.580 3.829 8.620 489 2HD LYS 60 2HD LYS 60 -10.026 5.378 9.256 490 1HE LYS 60 1HE LYS 60 -11.714 6.555 7.921 491 2HE LYS 60 2HE LYS 60 -12.248 5.027 7.221 492 1HZ LYS 60 1HZ LYS 60 -12.679 4.292 9.570 493 2HZ LYS 60 2HZ LYS 60 -12.457 5.907 10.041 494 3HZ LYS 60 3HZ LYS 60 -13.716 5.500 8.977 495 H LYS 61 H LYS 61 -5.561 6.346 7.570 496 HA LYS 61 HA LYS 61 -6.573 8.890 6.889 497 1HB LYS 61 1HB LYS 61 -3.884 7.949 7.872 498 2HB LYS 61 2HB LYS 61 -4.191 9.648 7.510 499 1HG LYS 61 1HG LYS 61 -6.214 8.255 9.192 500 2HG LYS 61 2HG LYS 61 -4.653 8.588 9.942 501 1HD LYS 61 1HD LYS 61 -4.868 10.974 9.216 502 2HD LYS 61 2HD LYS 61 -6.489 10.608 8.623 503 1HE LYS 61 1HE LYS 61 -7.316 10.184 10.790 504 2HE LYS 61 2HE LYS 61 -5.699 9.977 11.464 505 1HZ LYS 61 1HZ LYS 61 -5.277 12.323 11.078 506 2HZ LYS 61 2HZ LYS 61 -6.837 12.521 10.436 507 3HZ LYS 61 3HZ LYS 61 -6.639 12.116 12.071 508 H LEU 62 H LEU 62 -4.002 6.916 5.442 509 HA LEU 62 HA LEU 62 -3.105 8.790 3.538 510 1HB LEU 62 1HB LEU 62 -3.205 5.784 3.371 511 2HB LEU 62 2HB LEU 62 -2.344 6.814 2.249 512 HG LEU 62 HG LEU 62 -1.674 7.088 5.139 513 1HD1 LEU 62 1HD1 LEU 62 -1.380 4.608 3.536 514 2HD1 LEU 62 2HD1 LEU 62 0.064 5.138 4.397 515 3HD1 LEU 62 3HD1 LEU 62 -1.425 4.823 5.284 516 1HD2 LEU 62 1HD2 LEU 62 -0.432 7.467 2.458 517 2HD2 LEU 62 2HD2 LEU 62 -0.291 8.454 3.912 518 3HD2 LEU 62 3HD2 LEU 62 0.648 6.969 3.762 519 H MET 63 H MET 63 -5.641 6.339 3.408 520 HA MET 63 HA MET 63 -6.378 6.521 0.729 521 1HB MET 63 1HB MET 63 -8.024 5.985 3.197 522 2HB MET 63 2HB MET 63 -8.706 5.915 1.573 523 1HG MET 63 1HG MET 63 -6.495 4.407 1.192 524 2HG MET 63 2HG MET 63 -6.776 4.082 2.901 525 1HE MET 63 1HE MET 63 -7.253 3.541 -0.438 526 2HE MET 63 2HE MET 63 -7.390 1.842 0.006 527 3HE MET 63 3HE MET 63 -8.747 2.654 -0.771 528 H GLN 64 H GLN 64 -7.312 8.551 3.458 529 HA GLN 64 HA GLN 64 -9.072 10.188 1.820 530 1HB GLN 64 1HB GLN 64 -9.513 9.708 4.254 531 2HB GLN 64 2HB GLN 64 -8.124 10.724 4.641 532 1HG GLN 64 1HG GLN 64 -9.154 12.663 3.716 533 2HG GLN 64 2HG GLN 64 -10.402 11.708 2.914 534 2HE2 GLN 64 2HE2 GLN 64 -11.409 10.076 4.857 535 1HE2 GLN 64 1HE2 GLN 64 -11.999 10.974 6.171 536 H GLN 65 H GLN 65 -5.812 10.292 3.099 537 HA GLN 65 HA GLN 65 -5.346 13.065 2.564 538 1HB GLN 65 1HB GLN 65 -3.651 10.712 3.284 539 2HB GLN 65 2HB GLN 65 -2.868 12.154 2.639 540 1HG GLN 65 1HG GLN 65 -4.904 12.694 4.712 541 2HG GLN 65 2HG GLN 65 -3.501 11.794 5.281 542 2HE2 GLN 65 2HE2 GLN 65 -4.187 14.657 3.185 543 1HE2 GLN 65 1HE2 GLN 65 -2.879 15.570 3.764 544 H LEU 66 H LEU 66 -4.908 10.073 0.772 545 HA LEU 66 HA LEU 66 -3.915 11.626 -1.543 546 1HB LEU 66 1HB LEU 66 -3.770 8.648 -1.388 547 2HB LEU 66 2HB LEU 66 -2.761 9.759 -2.286 548 HG LEU 66 HG LEU 66 -2.693 9.477 0.726 549 1HD1 LEU 66 1HD1 LEU 66 -0.991 8.217 -1.442 550 2HD1 LEU 66 2HD1 LEU 66 -0.522 8.274 0.257 551 3HD1 LEU 66 3HD1 LEU 66 -1.964 7.382 -0.232 552 1HD2 LEU 66 1HD2 LEU 66 -1.315 11.156 -1.303 553 2HD2 LEU 66 2HD2 LEU 66 -1.662 11.496 0.392 554 3HD2 LEU 66 3HD2 LEU 66 -0.291 10.475 -0.040 555 HA PRO 67 HA PRO 67 -7.759 10.573 -3.461 556 1HB PRO 67 1HB PRO 67 -7.100 10.991 -6.088 557 2HB PRO 67 2HB PRO 67 -7.400 12.293 -4.926 558 1HG PRO 67 1HG PRO 67 -4.832 11.332 -6.053 559 2HG PRO 67 2HG PRO 67 -5.271 12.939 -5.456 560 1HD PRO 67 1HD PRO 67 -3.747 11.008 -4.062 561 2HD PRO 67 2HD PRO 67 -4.470 12.477 -3.363 562 H VAL 68 H VAL 68 -5.647 9.501 -6.106 563 HA VAL 68 HA VAL 68 -5.397 6.812 -5.520 564 HB VAL 68 HB VAL 68 -8.105 7.333 -5.878 565 1HG1 VAL 68 1HG1 VAL 68 -7.643 7.624 -8.366 566 2HG1 VAL 68 2HG1 VAL 68 -7.230 5.909 -8.394 567 3HG1 VAL 68 3HG1 VAL 68 -8.858 6.418 -7.942 568 1HG2 VAL 68 1HG2 VAL 68 -6.611 5.290 -5.035 569 2HG2 VAL 68 2HG2 VAL 68 -8.322 5.099 -5.420 570 3HG2 VAL 68 3HG2 VAL 68 -7.095 4.627 -6.596 571 H THR 69 H THR 69 -4.179 5.802 -7.054 572 HA THR 69 HA THR 69 -3.378 7.460 -9.332 573 HB THR 69 HB THR 69 -1.558 6.600 -7.982 574 HG1 THR 69 HG1 THR 69 -1.245 6.633 -10.236 575 1HG2 THR 69 1HG2 THR 69 -3.135 4.092 -8.220 576 2HG2 THR 69 2HG2 THR 69 -1.378 3.924 -8.234 577 3HG2 THR 69 3HG2 THR 69 -2.180 4.698 -6.867 578 H ALA 70 H ALA 70 -3.439 6.759 -11.455 579 HA ALA 70 HA ALA 70 -4.174 4.176 -12.317 580 1HB ALA 70 1HB ALA 70 -6.454 4.306 -12.778 581 2HB ALA 70 2HB ALA 70 -6.353 5.104 -11.208 582 3HB ALA 70 3HB ALA 70 -6.475 6.067 -12.681 583 H ARG 71 H ARG 71 -4.753 4.151 -14.658 584 HA ARG 71 HA ARG 71 -4.569 6.441 -16.298 585 1HB ARG 71 1HB ARG 71 -2.145 6.092 -15.261 586 2HB ARG 71 2HB ARG 71 -2.029 4.893 -16.550 587 1HG ARG 71 1HG ARG 71 -2.101 6.472 -18.214 588 2HG ARG 71 2HG ARG 71 -3.161 7.542 -17.296 589 1HD ARG 71 1HD ARG 71 -1.153 7.950 -15.756 590 2HD ARG 71 2HD ARG 71 -0.177 7.177 -17.000 591 HE ARG 71 HE ARG 71 -0.383 9.100 -18.280 592 1HH1 ARG 71 1HH1 ARG 71 -2.813 9.110 -15.761 593 2HH1 ARG 71 2HH1 ARG 71 -3.329 10.724 -16.108 594 1HH2 ARG 71 1HH2 ARG 71 -1.085 11.201 -18.699 595 2HH2 ARG 71 2HH2 ARG 71 -2.360 11.900 -17.757 No H/Q in entry = 595 Start of MODEL 24 1 H1 LEU 1 H1 LEU 1 20.763 -19.880 -1.427 2 H2 LEU 1 H2 LEU 1 20.891 -20.809 -2.844 3 H3 LEU 1 H3 LEU 1 22.111 -19.698 -2.440 4 HA LEU 1 HA LEU 1 20.923 -18.587 -4.074 5 1HB LEU 1 1HB LEU 1 19.049 -20.298 -3.998 6 2HB LEU 1 2HB LEU 1 18.360 -19.371 -2.664 7 HG LEU 1 HG LEU 1 18.506 -17.333 -4.222 8 1HD1 LEU 1 1HD1 LEU 1 19.145 -19.602 -6.094 9 2HD1 LEU 1 2HD1 LEU 1 18.298 -18.173 -6.689 10 3HD1 LEU 1 3HD1 LEU 1 19.905 -18.015 -5.978 11 1HD2 LEU 1 1HD2 LEU 1 16.466 -18.913 -3.661 12 2HD2 LEU 1 2HD2 LEU 1 16.324 -17.723 -4.955 13 3HD2 LEU 1 3HD2 LEU 1 16.649 -19.412 -5.343 14 H GLY 2 H GLY 2 20.405 -16.407 -3.938 15 1HA GLY 2 1HA GLY 2 20.756 -14.387 -2.778 16 2HA GLY 2 2HA GLY 2 20.604 -15.259 -1.255 17 H ALA 3 H ALA 3 18.239 -16.457 -1.326 18 HA ALA 3 HA ALA 3 16.077 -14.990 -2.421 19 1HB ALA 3 1HB ALA 3 16.149 -17.395 -1.378 20 2HB ALA 3 2HB ALA 3 14.681 -16.426 -1.239 21 3HB ALA 3 3HB ALA 3 15.792 -16.547 0.126 22 H SER 4 H SER 4 15.221 -13.114 -1.837 23 HA SER 4 HA SER 4 14.958 -12.269 0.879 24 1HB SER 4 1HB SER 4 17.284 -11.698 0.769 25 2HB SER 4 2HB SER 4 17.089 -10.955 -0.816 26 HG SER 4 HG SER 4 16.495 -9.195 0.150 27 H TRP 5 H TRP 5 12.839 -11.869 0.381 28 HA TRP 5 HA TRP 5 11.022 -10.687 -0.361 29 1HB TRP 5 1HB TRP 5 12.154 -8.738 0.535 30 2HB TRP 5 2HB TRP 5 13.162 -8.612 -0.900 31 HD1 TRP 5 HD1 TRP 5 12.387 -6.384 -1.882 32 HE1 TRP 5 HE1 TRP 5 10.150 -5.452 -2.753 33 HE3 TRP 5 HE3 TRP 5 9.202 -10.091 -0.348 34 HZ2 TRP 5 HZ2 TRP 5 7.389 -6.170 -2.798 35 HZ3 TRP 5 HZ3 TRP 5 6.782 -9.933 -0.822 36 HH2 TRP 5 HH2 TRP 5 5.870 -7.980 -2.044 37 H HIS 6 H HIS 6 10.122 -11.644 -2.065 38 HA HIS 6 HA HIS 6 10.418 -10.651 -4.678 39 1HB HIS 6 1HB HIS 6 12.595 -12.089 -4.268 40 2HB HIS 6 2HB HIS 6 11.505 -13.438 -4.592 41 HD1 HIS 6 HD1 HIS 6 11.565 -14.064 -6.995 42 HD2 HIS 6 HD2 HIS 6 12.028 -9.953 -6.488 43 HE1 HIS 6 HE1 HIS 6 11.774 -13.076 -9.317 44 H ARG 7 H ARG 7 8.304 -10.774 -5.084 45 HA ARG 7 HA ARG 7 7.062 -13.281 -5.613 46 1HB ARG 7 1HB ARG 7 7.017 -12.865 -2.970 47 2HB ARG 7 2HB ARG 7 5.606 -11.903 -3.412 48 1HG ARG 7 1HG ARG 7 4.837 -13.937 -4.772 49 2HG ARG 7 2HG ARG 7 6.083 -14.845 -3.914 50 1HD ARG 7 1HD ARG 7 5.071 -14.419 -1.795 51 2HD ARG 7 2HD ARG 7 4.002 -13.196 -2.474 52 HE ARG 7 HE ARG 7 3.506 -15.662 -3.762 53 1HH1 ARG 7 1HH1 ARG 7 3.106 -14.120 -0.645 54 2HH1 ARG 7 2HH1 ARG 7 1.722 -15.068 -0.227 55 1HH2 ARG 7 1HH2 ARG 7 1.698 -16.875 -3.178 56 2HH2 ARG 7 2HH2 ARG 7 0.929 -16.615 -1.648 57 HA PRO 8 HA PRO 8 5.106 -9.667 -7.654 58 1HB PRO 8 1HB PRO 8 5.170 -10.698 -10.183 59 2HB PRO 8 2HB PRO 8 6.516 -9.816 -9.448 60 1HG PRO 8 1HG PRO 8 6.242 -12.711 -9.983 61 2HG PRO 8 2HG PRO 8 7.704 -11.728 -9.822 62 1HD PRO 8 1HD PRO 8 6.589 -13.452 -7.849 63 2HD PRO 8 2HD PRO 8 7.925 -12.298 -7.624 64 H ASP 9 H ASP 9 2.991 -9.772 -7.056 65 HA ASP 9 HA ASP 9 1.176 -11.375 -8.642 66 1HB ASP 9 1HB ASP 9 1.978 -12.834 -6.658 67 2HB ASP 9 2HB ASP 9 0.998 -11.758 -5.662 68 H LYS 10 H LYS 10 -0.876 -10.533 -8.680 69 HA LYS 10 HA LYS 10 -1.216 -7.827 -7.955 70 1HB LYS 10 1HB LYS 10 -2.995 -9.978 -9.005 71 2HB LYS 10 2HB LYS 10 -3.755 -8.543 -8.312 72 1HG LYS 10 1HG LYS 10 -1.876 -7.343 -9.826 73 2HG LYS 10 2HG LYS 10 -2.109 -8.812 -10.776 74 1HD LYS 10 1HD LYS 10 -4.688 -8.202 -10.304 75 2HD LYS 10 2HD LYS 10 -4.002 -6.577 -10.248 76 1HE LYS 10 1HE LYS 10 -2.780 -7.305 -12.450 77 2HE LYS 10 2HE LYS 10 -4.045 -8.532 -12.532 78 1HZ LYS 10 1HZ LYS 10 -4.740 -5.710 -12.045 79 2HZ LYS 10 2HZ LYS 10 -4.441 -6.251 -13.625 80 3HZ LYS 10 3HZ LYS 10 -5.692 -6.949 -12.713 81 H CYS 11 H CYS 11 -2.504 -10.810 -6.534 82 HA CYS 11 HA CYS 11 -4.006 -9.636 -4.464 83 1HB CYS 11 1HB CYS 11 -2.552 -12.292 -4.352 84 2HB CYS 11 2HB CYS 11 -3.941 -11.808 -3.383 85 H CYS 12 H CYS 12 -3.256 -10.474 -2.065 86 HA CYS 12 HA CYS 12 -0.555 -10.177 -1.330 87 1HB CYS 12 1HB CYS 12 -1.284 -7.786 -2.190 88 2HB CYS 12 2HB CYS 12 -2.019 -7.676 -0.590 89 H LEU 13 H LEU 13 -1.167 -11.864 0.038 90 HA LEU 13 HA LEU 13 -3.320 -11.676 1.901 91 1HB LEU 13 1HB LEU 13 -0.861 -13.423 1.964 92 2HB LEU 13 2HB LEU 13 -2.268 -13.623 2.984 93 HG LEU 13 HG LEU 13 -2.582 -13.687 0.000 94 1HD1 LEU 13 1HD1 LEU 13 -1.523 -15.885 1.792 95 2HD1 LEU 13 2HD1 LEU 13 -2.283 -16.211 0.235 96 3HD1 LEU 13 3HD1 LEU 13 -0.801 -15.257 0.310 97 1HD2 LEU 13 1HD2 LEU 13 -4.491 -13.682 1.727 98 2HD2 LEU 13 2HD2 LEU 13 -4.520 -14.969 0.522 99 3HD2 LEU 13 3HD2 LEU 13 -3.952 -15.305 2.157 100 H GLY 14 H GLY 14 0.129 -10.984 2.035 101 1HA GLY 14 1HA GLY 14 1.439 -10.258 3.850 102 2HA GLY 14 2HA GLY 14 -0.004 -10.255 4.862 103 H TYR 15 H TYR 15 0.919 -8.135 5.535 104 HA TYR 15 HA TYR 15 0.505 -5.978 3.578 105 1HB TYR 15 1HB TYR 15 -0.861 -6.149 6.273 106 2HB TYR 15 2HB TYR 15 -0.807 -4.696 5.274 107 HD1 TYR 15 HD1 TYR 15 -1.955 -8.234 5.365 108 HD2 TYR 15 HD2 TYR 15 -2.239 -4.433 3.387 109 HE1 TYR 15 HE1 TYR 15 -3.885 -9.064 4.048 110 HE2 TYR 15 HE2 TYR 15 -4.169 -5.263 2.069 111 HH TYR 15 HH TYR 15 -4.985 -7.646 1.311 112 H GLN 16 H GLN 16 0.978 -3.795 4.837 113 HA GLN 16 HA GLN 16 3.717 -3.797 5.461 114 1HB GLN 16 1HB GLN 16 2.408 -1.797 4.686 115 2HB GLN 16 2HB GLN 16 1.699 -1.705 6.293 116 1HG GLN 16 1HG GLN 16 3.600 -0.182 6.168 117 2HG GLN 16 2HG GLN 16 3.989 -1.509 7.260 118 2HE2 GLN 16 2HE2 GLN 16 5.491 -3.183 6.463 119 1HE2 GLN 16 1HE2 GLN 16 6.516 -2.863 5.148 120 H LYS 17 H LYS 17 0.901 -3.430 7.588 121 HA LYS 17 HA LYS 17 0.598 -3.887 9.823 122 1HB LYS 17 1HB LYS 17 1.883 -6.023 9.193 123 2HB LYS 17 2HB LYS 17 3.297 -5.227 9.886 124 1HG LYS 17 1HG LYS 17 2.441 -5.267 12.037 125 2HG LYS 17 2HG LYS 17 0.766 -5.256 11.483 126 1HD LYS 17 1HD LYS 17 0.943 -7.576 10.758 127 2HD LYS 17 2HD LYS 17 2.660 -7.604 11.169 128 1HE LYS 17 1HE LYS 17 0.438 -7.075 13.163 129 2HE LYS 17 2HE LYS 17 1.212 -8.644 12.930 130 1HZ LYS 17 1HZ LYS 17 3.370 -7.433 13.351 131 2HZ LYS 17 2HZ LYS 17 2.430 -6.132 13.910 132 3HZ LYS 17 3HZ LYS 17 2.348 -7.635 14.693 133 H ARG 18 H ARG 18 2.546 -1.687 8.628 134 HA ARG 18 HA ARG 18 3.258 -0.599 11.244 135 1HB ARG 18 1HB ARG 18 5.191 -1.233 9.032 136 2HB ARG 18 2HB ARG 18 5.475 0.167 10.067 137 1HG ARG 18 1HG ARG 18 4.770 -2.362 11.455 138 2HG ARG 18 2HG ARG 18 6.352 -2.316 10.682 139 1HD ARG 18 1HD ARG 18 7.118 -0.595 12.035 140 2HD ARG 18 2HD ARG 18 5.500 0.023 12.344 141 HE ARG 18 HE ARG 18 5.744 -2.555 13.488 142 1HH1 ARG 18 1HH1 ARG 18 6.901 0.720 13.921 143 2HH1 ARG 18 2HH1 ARG 18 7.121 0.538 15.626 144 1HH2 ARG 18 1HH2 ARG 18 6.044 -2.750 15.714 145 2HH2 ARG 18 2HH2 ARG 18 6.640 -1.409 16.635 146 HA PRO 19 HA PRO 19 1.768 2.953 9.030 147 1HB PRO 19 1HB PRO 19 2.335 4.876 10.879 148 2HB PRO 19 2HB PRO 19 1.003 3.721 11.029 149 1HG PRO 19 1HG PRO 19 3.545 3.833 12.511 150 2HG PRO 19 2HG PRO 19 2.021 3.048 12.947 151 1HD PRO 19 1HD PRO 19 4.382 1.804 11.885 152 2HD PRO 19 2HD PRO 19 2.817 1.036 12.247 153 H LEU 20 H LEU 20 2.708 3.829 7.310 154 HA LEU 20 HA LEU 20 5.493 4.769 7.477 155 1HB LEU 20 1HB LEU 20 4.058 4.888 4.894 156 2HB LEU 20 2HB LEU 20 5.698 4.393 5.245 157 HG LEU 20 HG LEU 20 3.184 2.733 5.522 158 1HD1 LEU 20 1HD1 LEU 20 4.533 3.203 3.277 159 2HD1 LEU 20 2HD1 LEU 20 5.611 1.978 3.945 160 3HD1 LEU 20 3HD1 LEU 20 3.916 1.593 3.645 161 1HD2 LEU 20 1HD2 LEU 20 5.916 2.431 6.662 162 2HD2 LEU 20 2HD2 LEU 20 4.373 1.828 7.266 163 3HD2 LEU 20 3HD2 LEU 20 5.195 0.988 5.951 164 HA PRO 21 HA PRO 21 4.106 8.972 7.326 165 1HB PRO 21 1HB PRO 21 6.356 10.190 6.366 166 2HB PRO 21 2HB PRO 21 6.212 9.549 8.012 167 1HG PRO 21 1HG PRO 21 7.737 8.481 5.717 168 2HG PRO 21 2HG PRO 21 7.997 8.244 7.451 169 1HD PRO 21 1HD PRO 21 6.770 6.413 5.636 170 2HD PRO 21 2HD PRO 21 6.869 6.261 7.406 171 H GLN 22 H GLN 22 2.870 10.114 5.941 172 HA GLN 22 HA GLN 22 2.821 9.507 3.137 173 1HB GLN 22 1HB GLN 22 0.862 10.244 4.644 174 2HB GLN 22 2HB GLN 22 1.473 11.880 4.403 175 1HG GLN 22 1HG GLN 22 1.203 10.218 1.955 176 2HG GLN 22 2HG GLN 22 -0.305 10.706 2.728 177 2HE2 GLN 22 2HE2 GLN 22 1.655 11.686 0.310 178 1HE2 GLN 22 1HE2 GLN 22 1.479 13.371 0.434 179 H VAL 23 H VAL 23 4.801 11.533 4.975 180 HA VAL 23 HA VAL 23 5.081 13.860 3.513 181 HB VAL 23 HB VAL 23 6.168 13.423 5.682 182 1HG1 VAL 23 1HG1 VAL 23 6.936 11.046 4.656 183 2HG1 VAL 23 2HG1 VAL 23 8.418 11.966 4.398 184 3HG1 VAL 23 3HG1 VAL 23 7.750 11.805 6.023 185 1HG2 VAL 23 1HG2 VAL 23 7.036 15.115 3.916 186 2HG2 VAL 23 2HG2 VAL 23 8.097 14.706 5.264 187 3HG2 VAL 23 3HG2 VAL 23 8.356 13.968 3.683 188 H LEU 24 H LEU 24 6.021 10.630 2.617 189 HA LEU 24 HA LEU 24 7.289 11.754 0.197 190 1HB LEU 24 1HB LEU 24 9.047 10.243 0.228 191 2HB LEU 24 2HB LEU 24 8.917 10.781 1.883 192 HG LEU 24 HG LEU 24 9.327 8.491 2.074 193 1HD1 LEU 24 1HD1 LEU 24 7.259 9.239 3.321 194 2HD1 LEU 24 2HD1 LEU 24 6.301 8.543 2.015 195 3HD1 LEU 24 3HD1 LEU 24 7.339 7.509 2.995 196 1HD2 LEU 24 1HD2 LEU 24 8.691 8.269 -0.504 197 2HD2 LEU 24 2HD2 LEU 24 8.722 6.860 0.557 198 3HD2 LEU 24 3HD2 LEU 24 7.188 7.639 0.169 199 H LEU 25 H LEU 25 4.693 10.016 1.259 200 HA LEU 25 HA LEU 25 4.668 7.884 -0.652 201 1HB LEU 25 1HB LEU 25 3.245 8.368 1.567 202 2HB LEU 25 2HB LEU 25 2.123 9.002 0.387 203 HG LEU 25 HG LEU 25 1.940 6.846 -0.686 204 1HD1 LEU 25 1HD1 LEU 25 4.361 6.272 0.961 205 2HD1 LEU 25 2HD1 LEU 25 3.231 4.943 0.704 206 3HD1 LEU 25 3HD1 LEU 25 3.969 5.753 -0.678 207 1HD2 LEU 25 1HD2 LEU 25 1.714 6.958 2.308 208 2HD2 LEU 25 2HD2 LEU 25 0.433 6.907 1.097 209 3HD2 LEU 25 3HD2 LEU 25 1.355 5.449 1.469 210 H SER 26 H SER 26 2.752 7.770 -2.254 211 HA SER 26 HA SER 26 2.478 10.377 -3.629 212 1HB SER 26 1HB SER 26 4.063 8.432 -4.603 213 2HB SER 26 2HB SER 26 2.527 7.923 -5.298 214 HG SER 26 HG SER 26 3.761 10.474 -5.507 215 H SER 27 H SER 27 1.232 7.054 -4.060 216 HA SER 27 HA SER 27 -1.487 7.911 -3.495 217 1HB SER 27 1HB SER 27 -2.048 6.830 -5.897 218 2HB SER 27 2HB SER 27 -1.802 8.557 -5.664 219 HG SER 27 HG SER 27 -0.331 6.774 -7.062 220 H TRP 28 H TRP 28 -2.965 5.921 -4.400 221 HA TRP 28 HA TRP 28 -1.625 3.376 -3.771 222 1HB TRP 28 1HB TRP 28 -3.601 2.774 -2.305 223 2HB TRP 28 2HB TRP 28 -2.513 3.984 -1.628 224 HD1 TRP 28 HD1 TRP 28 -3.350 6.505 -1.551 225 HE1 TRP 28 HE1 TRP 28 -5.706 7.543 -1.642 226 HE3 TRP 28 HE3 TRP 28 -6.012 2.510 -3.316 227 HZ2 TRP 28 HZ2 TRP 28 -8.364 6.779 -2.378 228 HZ3 TRP 28 HZ3 TRP 28 -8.448 2.699 -3.702 229 HH2 TRP 28 HH2 TRP 28 -9.628 4.826 -3.234 230 H TYR 29 H TYR 29 -2.426 1.648 -4.882 231 HA TYR 29 HA TYR 29 -4.804 2.162 -6.560 232 1HB TYR 29 1HB TYR 29 -3.852 0.904 -8.350 233 2HB TYR 29 2HB TYR 29 -2.614 2.034 -7.820 234 HD1 TYR 29 HD1 TYR 29 -0.708 1.204 -6.363 235 HD2 TYR 29 HD2 TYR 29 -3.545 -1.452 -8.199 236 HE1 TYR 29 HE1 TYR 29 0.842 -0.698 -6.015 237 HE2 TYR 29 HE2 TYR 29 -1.992 -3.352 -7.847 238 HH TYR 29 HH TYR 29 0.430 -3.383 -5.770 239 HA PRO 30 HA PRO 30 -6.399 -1.442 -4.514 240 1HB PRO 30 1HB PRO 30 -8.622 -1.834 -6.051 241 2HB PRO 30 2HB PRO 30 -8.474 -0.544 -4.849 242 1HG PRO 30 1HG PRO 30 -8.416 -0.374 -7.799 243 2HG PRO 30 2HG PRO 30 -8.848 0.860 -6.607 244 1HD PRO 30 1HD PRO 30 -6.377 0.632 -8.012 245 2HD PRO 30 2HD PRO 30 -6.748 1.745 -6.674 246 H THR 31 H THR 31 -6.374 -3.666 -4.681 247 HA THR 31 HA THR 31 -5.389 -4.768 -7.231 248 HB THR 31 HB THR 31 -3.959 -5.213 -5.307 249 HG1 THR 31 HG1 THR 31 -4.113 -6.867 -6.806 250 1HG2 THR 31 1HG2 THR 31 -6.547 -6.149 -4.104 251 2HG2 THR 31 2HG2 THR 31 -5.017 -6.824 -3.543 252 3HG2 THR 31 3HG2 THR 31 -5.318 -5.092 -3.411 253 H SER 32 H SER 32 -6.051 -7.303 -7.237 254 HA SER 32 HA SER 32 -8.737 -7.394 -8.030 255 1HB SER 32 1HB SER 32 -6.629 -9.425 -7.493 256 2HB SER 32 2HB SER 32 -8.295 -9.990 -7.572 257 HG SER 32 HG SER 32 -7.589 -10.012 -9.641 258 H GLN 33 H GLN 33 -10.570 -8.363 -7.110 259 HA GLN 33 HA GLN 33 -10.700 -8.099 -4.205 260 1HB GLN 33 1HB GLN 33 -12.453 -7.157 -5.804 261 2HB GLN 33 2HB GLN 33 -12.972 -8.825 -6.055 262 1HG GLN 33 1HG GLN 33 -13.462 -9.096 -3.701 263 2HG GLN 33 2HG GLN 33 -12.757 -7.523 -3.326 264 2HE2 GLN 33 2HE2 GLN 33 -13.891 -5.586 -4.346 265 1HE2 GLN 33 1HE2 GLN 33 -15.566 -5.685 -4.602 266 H LEU 34 H LEU 34 -10.798 -10.570 -6.678 267 HA LEU 34 HA LEU 34 -11.647 -12.632 -4.806 268 1HB LEU 34 1HB LEU 34 -10.731 -12.854 -7.674 269 2HB LEU 34 2HB LEU 34 -11.401 -14.156 -6.719 270 HG LEU 34 HG LEU 34 -13.139 -13.395 -8.156 271 1HD1 LEU 34 1HD1 LEU 34 -13.744 -13.750 -5.731 272 2HD1 LEU 34 2HD1 LEU 34 -13.621 -12.005 -5.507 273 3HD1 LEU 34 3HD1 LEU 34 -14.837 -12.670 -6.598 274 1HD2 LEU 34 1HD2 LEU 34 -11.894 -11.117 -8.465 275 2HD2 LEU 34 2HD2 LEU 34 -13.651 -11.151 -8.607 276 3HD2 LEU 34 3HD2 LEU 34 -12.898 -10.579 -7.119 277 H CYS 35 H CYS 35 -9.561 -11.716 -3.608 278 HA CYS 35 HA CYS 35 -7.336 -13.546 -4.303 279 1HB CYS 35 1HB CYS 35 -7.265 -10.715 -3.274 280 2HB CYS 35 2HB CYS 35 -5.894 -11.806 -3.090 281 H SER 36 H SER 36 -9.746 -13.660 -2.363 282 HA SER 36 HA SER 36 -10.146 -14.627 -0.333 283 1HB SER 36 1HB SER 36 -8.594 -16.060 0.601 284 2HB SER 36 2HB SER 36 -7.985 -15.943 -1.043 285 HG SER 36 HG SER 36 -6.949 -14.980 1.339 286 H LYS 37 H LYS 37 -7.092 -12.813 0.071 287 HA LYS 37 HA LYS 37 -8.471 -11.127 2.064 288 1HB LYS 37 1HB LYS 37 -7.019 -12.821 3.196 289 2HB LYS 37 2HB LYS 37 -5.634 -12.157 2.330 290 1HG LYS 37 1HG LYS 37 -5.599 -10.230 3.582 291 2HG LYS 37 2HG LYS 37 -7.349 -10.220 3.805 292 1HD LYS 37 1HD LYS 37 -6.376 -10.722 5.947 293 2HD LYS 37 2HD LYS 37 -7.063 -12.225 5.330 294 1HE LYS 37 1HE LYS 37 -5.008 -13.190 4.995 295 2HE LYS 37 2HE LYS 37 -4.237 -11.655 4.595 296 1HZ LYS 37 1HZ LYS 37 -4.367 -11.042 6.944 297 2HZ LYS 37 2HZ LYS 37 -5.035 -12.562 7.308 298 3HZ LYS 37 3HZ LYS 37 -3.451 -12.454 6.712 299 HA PRO 38 HA PRO 38 -6.136 -8.628 -1.089 300 1HB PRO 38 1HB PRO 38 -8.266 -7.283 -2.141 301 2HB PRO 38 2HB PRO 38 -7.697 -8.847 -2.741 302 1HG PRO 38 1HG PRO 38 -10.113 -8.212 -1.161 303 2HG PRO 38 2HG PRO 38 -9.798 -9.578 -2.241 304 1HD PRO 38 1HD PRO 38 -9.700 -9.596 0.607 305 2HD PRO 38 2HD PRO 38 -9.199 -10.905 -0.487 306 H GLY 39 H GLY 39 -6.529 -6.113 -1.542 307 1HA GLY 39 1HA GLY 39 -6.007 -4.729 0.843 308 2HA GLY 39 2HA GLY 39 -7.703 -4.476 0.431 309 H VAL 40 H VAL 40 -4.791 -3.082 0.186 310 HA VAL 40 HA VAL 40 -4.950 -2.198 -2.586 311 HB VAL 40 HB VAL 40 -5.206 -0.170 -0.351 312 1HG1 VAL 40 1HG1 VAL 40 -4.119 0.195 -2.793 313 2HG1 VAL 40 2HG1 VAL 40 -5.819 0.447 -3.187 314 3HG1 VAL 40 3HG1 VAL 40 -5.040 1.441 -1.955 315 1HG2 VAL 40 1HG2 VAL 40 -7.252 -1.305 -2.270 316 2HG2 VAL 40 2HG2 VAL 40 -7.305 -1.343 -0.507 317 3HG2 VAL 40 3HG2 VAL 40 -7.494 0.188 -1.363 318 H ILE 41 H ILE 41 -3.024 -1.529 -3.358 319 HA ILE 41 HA ILE 41 -0.760 -1.578 -1.478 320 HB ILE 41 HB ILE 41 -0.937 -2.042 -4.461 321 1HG1 ILE 41 1HG1 ILE 41 0.225 -4.208 -3.615 322 2HG1 ILE 41 2HG1 ILE 41 -0.345 -3.704 -2.024 323 1HG2 ILE 41 1HG2 ILE 41 1.539 -1.844 -2.712 324 2HG2 ILE 41 2HG2 ILE 41 1.525 -2.461 -4.365 325 3HG2 ILE 41 3HG2 ILE 41 1.118 -0.773 -4.050 326 1HD1 ILE 41 1HD1 ILE 41 -2.260 -3.752 -4.340 327 2HD1 ILE 41 2HD1 ILE 41 -1.868 -5.251 -3.497 328 3HD1 ILE 41 3HD1 ILE 41 -2.597 -3.909 -2.615 329 H PHE 42 H PHE 42 0.554 0.144 -1.228 330 HA PHE 42 HA PHE 42 -0.322 2.679 -2.405 331 1HB PHE 42 1HB PHE 42 1.405 1.902 -0.083 332 2HB PHE 42 2HB PHE 42 1.596 3.501 -0.802 333 HD1 PHE 42 HD1 PHE 42 -0.772 1.213 0.889 334 HD2 PHE 42 HD2 PHE 42 -0.106 5.193 -0.583 335 HE1 PHE 42 HE1 PHE 42 -2.788 2.000 2.100 336 HE2 PHE 42 HE2 PHE 42 -2.121 5.979 0.629 337 HZ PHE 42 HZ PHE 42 -3.461 4.383 1.972 338 H LEU 43 H LEU 43 1.377 4.213 -3.120 339 HA LEU 43 HA LEU 43 3.738 2.897 -4.296 340 1HB LEU 43 1HB LEU 43 2.238 4.925 -5.897 341 2HB LEU 43 2HB LEU 43 3.370 3.705 -6.439 342 HG LEU 43 HG LEU 43 0.615 3.035 -5.392 343 1HD1 LEU 43 1HD1 LEU 43 1.562 3.575 -8.221 344 2HD1 LEU 43 2HD1 LEU 43 0.036 2.785 -7.827 345 3HD1 LEU 43 3HD1 LEU 43 0.316 4.454 -7.333 346 1HD2 LEU 43 1HD2 LEU 43 2.925 1.561 -6.540 347 2HD2 LEU 43 2HD2 LEU 43 1.682 1.009 -5.418 348 3HD2 LEU 43 3HD2 LEU 43 1.338 1.087 -7.144 349 H THR 44 H THR 44 5.177 3.923 -2.945 350 HA THR 44 HA THR 44 5.009 6.635 -2.163 351 HB THR 44 HB THR 44 7.354 6.394 -1.494 352 HG1 THR 44 HG1 THR 44 7.163 3.966 -2.944 353 1HG2 THR 44 1HG2 THR 44 5.344 4.266 -0.920 354 2HG2 THR 44 2HG2 THR 44 6.990 4.012 -0.338 355 3HG2 THR 44 3HG2 THR 44 6.084 5.437 0.172 356 H LYS 45 H LYS 45 6.644 8.313 -2.763 357 HA LYS 45 HA LYS 45 6.460 8.965 -5.490 358 1HB LYS 45 1HB LYS 45 8.126 10.000 -3.216 359 2HB LYS 45 2HB LYS 45 8.415 10.579 -4.856 360 1HG LYS 45 1HG LYS 45 6.440 11.725 -4.946 361 2HG LYS 45 2HG LYS 45 5.573 10.506 -4.009 362 1HD LYS 45 1HD LYS 45 6.080 11.490 -2.004 363 2HD LYS 45 2HD LYS 45 7.667 12.030 -2.552 364 1HE LYS 45 1HE LYS 45 6.840 13.981 -3.476 365 2HE LYS 45 2HE LYS 45 5.258 13.276 -3.808 366 1HZ LYS 45 1HZ LYS 45 6.291 13.925 -1.100 367 2HZ LYS 45 2HZ LYS 45 5.212 14.895 -1.984 368 3HZ LYS 45 3HZ LYS 45 4.738 13.349 -1.477 369 H ARG 46 H ARG 46 9.338 7.953 -3.640 370 HA ARG 46 HA ARG 46 10.439 6.820 -6.139 371 1HB ARG 46 1HB ARG 46 11.469 9.042 -5.242 372 2HB ARG 46 2HB ARG 46 12.212 7.993 -4.034 373 1HG ARG 46 1HG ARG 46 13.002 6.541 -5.983 374 2HG ARG 46 2HG ARG 46 12.521 7.869 -7.038 375 1HD ARG 46 1HD ARG 46 14.250 8.492 -4.680 376 2HD ARG 46 2HD ARG 46 14.993 7.712 -6.072 377 HE ARG 46 HE ARG 46 13.424 9.938 -6.906 378 1HH1 ARG 46 1HH1 ARG 46 16.444 9.127 -5.334 379 2HH1 ARG 46 2HH1 ARG 46 17.229 10.583 -5.840 380 1HH2 ARG 46 1HH2 ARG 46 14.486 11.822 -7.546 381 2HH2 ARG 46 2HH2 ARG 46 16.132 12.096 -7.082 382 H GLY 47 H GLY 47 9.350 6.058 -3.100 383 1HA GLY 47 1HA GLY 47 9.814 4.398 -1.567 384 2HA GLY 47 2HA GLY 47 11.429 4.271 -2.255 385 H ARG 48 H ARG 48 8.449 2.785 -1.926 386 HA ARG 48 HA ARG 48 8.580 1.210 -4.376 387 1HB ARG 48 1HB ARG 48 9.633 0.254 -1.791 388 2HB ARG 48 2HB ARG 48 8.501 -0.852 -2.568 389 1HG ARG 48 1HG ARG 48 9.871 -1.182 -4.407 390 2HG ARG 48 2HG ARG 48 10.640 0.397 -4.249 391 1HD ARG 48 1HD ARG 48 12.189 -1.428 -3.627 392 2HD ARG 48 2HD ARG 48 11.855 -0.368 -2.262 393 HE ARG 48 HE ARG 48 10.091 -2.650 -2.381 394 1HH1 ARG 48 1HH1 ARG 48 13.222 -1.502 -1.316 395 2HH1 ARG 48 2HH1 ARG 48 13.364 -2.700 -0.076 396 1HH2 ARG 48 1HH2 ARG 48 10.318 -4.194 -0.753 397 2HH2 ARG 48 2HH2 ARG 48 11.735 -4.212 0.242 398 H GLN 49 H GLN 49 6.982 -0.853 -3.821 399 HA GLN 49 HA GLN 49 4.425 0.438 -3.262 400 1HB GLN 49 1HB GLN 49 5.290 -2.121 -4.542 401 2HB GLN 49 2HB GLN 49 3.670 -2.033 -3.853 402 1HG GLN 49 1HG GLN 49 2.933 -0.540 -5.422 403 2HG GLN 49 2HG GLN 49 4.492 0.281 -5.520 404 2HE2 GLN 49 2HE2 GLN 49 2.450 -1.955 -7.117 405 1HE2 GLN 49 1HE2 GLN 49 3.583 -2.539 -8.239 406 H VAL 50 H VAL 50 2.862 -0.554 -1.808 407 HA VAL 50 HA VAL 50 3.861 -2.444 0.172 408 HB VAL 50 HB VAL 50 3.034 0.355 0.986 409 1HG1 VAL 50 1HG1 VAL 50 2.356 -1.517 2.540 410 2HG1 VAL 50 2HG1 VAL 50 4.064 -1.927 2.697 411 3HG1 VAL 50 3HG1 VAL 50 3.477 -0.359 3.253 412 1HG2 VAL 50 1HG2 VAL 50 5.699 -1.079 0.967 413 2HG2 VAL 50 2HG2 VAL 50 5.280 0.416 0.130 414 3HG2 VAL 50 3HG2 VAL 50 5.403 0.394 1.890 415 H CYS 51 H CYS 51 2.264 -3.740 0.788 416 HA CYS 51 HA CYS 51 -0.454 -3.249 -0.066 417 1HB CYS 51 1HB CYS 51 0.743 -5.447 1.645 418 2HB CYS 51 2HB CYS 51 -0.924 -5.415 1.072 419 H ALA 52 H ALA 52 -2.053 -2.339 1.118 420 HA ALA 52 HA ALA 52 -1.597 -2.050 4.030 421 1HB ALA 52 1HB ALA 52 -1.325 0.057 2.416 422 2HB ALA 52 2HB ALA 52 -2.048 0.196 4.018 423 3HB ALA 52 3HB ALA 52 -3.080 0.092 2.592 424 H ASP 53 H ASP 53 -3.271 -2.467 5.317 425 HA ASP 53 HA ASP 53 -5.782 -3.340 4.053 426 1HB ASP 53 1HB ASP 53 -4.346 -4.016 6.569 427 2HB ASP 53 2HB ASP 53 -6.107 -4.018 6.640 428 H LYS 54 H LYS 54 -7.409 -1.944 4.010 429 HA LYS 54 HA LYS 54 -7.423 0.580 5.188 430 1HB LYS 54 1HB LYS 54 -8.919 -0.215 3.316 431 2HB LYS 54 2HB LYS 54 -9.909 -1.015 4.539 432 1HG LYS 54 1HG LYS 54 -10.920 1.121 4.185 433 2HG LYS 54 2HG LYS 54 -10.048 1.250 5.712 434 1HD LYS 54 1HD LYS 54 -8.467 2.674 4.851 435 2HD LYS 54 2HD LYS 54 -8.526 1.936 3.249 436 1HE LYS 54 1HE LYS 54 -10.857 3.525 4.318 437 2HE LYS 54 2HE LYS 54 -9.506 4.318 3.505 438 1HZ LYS 54 1HZ LYS 54 -10.888 2.012 2.284 439 2HZ LYS 54 2HZ LYS 54 -11.487 3.588 2.098 440 3HZ LYS 54 3HZ LYS 54 -9.932 3.199 1.531 441 H SER 55 H SER 55 -8.259 -2.500 6.574 442 HA SER 55 HA SER 55 -9.955 -1.699 8.661 443 1HB SER 55 1HB SER 55 -8.640 -3.718 9.841 444 2HB SER 55 2HB SER 55 -9.856 -3.983 8.595 445 HG SER 55 HG SER 55 -7.202 -4.482 8.553 446 H LYS 56 H LYS 56 -6.490 -1.437 8.260 447 HA LYS 56 HA LYS 56 -5.754 -0.963 10.944 448 1HB LYS 56 1HB LYS 56 -4.554 -0.394 8.275 449 2HB LYS 56 2HB LYS 56 -3.916 0.490 9.660 450 1HG LYS 56 1HG LYS 56 -2.587 -1.434 9.665 451 2HG LYS 56 2HG LYS 56 -3.863 -1.869 10.803 452 1HD LYS 56 1HD LYS 56 -5.098 -2.979 8.947 453 2HD LYS 56 2HD LYS 56 -3.754 -2.614 7.866 454 1HE LYS 56 1HE LYS 56 -2.361 -4.169 8.844 455 2HE LYS 56 2HE LYS 56 -3.114 -4.000 10.430 456 1HZ LYS 56 1HZ LYS 56 -5.145 -5.033 9.230 457 2HZ LYS 56 2HZ LYS 56 -3.992 -5.591 8.119 458 3HZ LYS 56 3HZ LYS 56 -3.880 -6.038 9.754 459 H ASP 57 H ASP 57 -4.609 1.388 11.293 460 HA ASP 57 HA ASP 57 -6.840 3.309 11.040 461 1HB ASP 57 1HB ASP 57 -4.591 3.189 13.064 462 2HB ASP 57 2HB ASP 57 -5.817 4.454 12.991 463 H TRP 58 H TRP 58 -3.321 2.965 10.774 464 HA TRP 58 HA TRP 58 -2.945 5.676 9.904 465 1HB TRP 58 1HB TRP 58 -0.647 4.997 9.383 466 2HB TRP 58 2HB TRP 58 -1.116 4.474 10.996 467 HD1 TRP 58 HD1 TRP 58 -1.337 1.896 11.449 468 HE1 TRP 58 HE1 TRP 58 -0.562 -0.177 10.130 469 HE3 TRP 58 HE3 TRP 58 -0.364 4.041 6.923 470 HZ2 TRP 58 HZ2 TRP 58 0.352 -0.843 7.482 471 HZ3 TRP 58 HZ3 TRP 58 0.461 2.675 5.030 472 HH2 TRP 58 HH2 TRP 58 0.814 0.242 5.304 473 H VAL 59 H VAL 59 -3.710 2.664 8.350 474 HA VAL 59 HA VAL 59 -2.946 3.476 5.706 475 HB VAL 59 HB VAL 59 -4.952 1.356 6.512 476 1HG1 VAL 59 1HG1 VAL 59 -3.281 1.769 4.013 477 2HG1 VAL 59 2HG1 VAL 59 -4.324 0.382 4.319 478 3HG1 VAL 59 3HG1 VAL 59 -5.026 1.990 4.135 479 1HG2 VAL 59 1HG2 VAL 59 -2.588 1.215 7.526 480 2HG2 VAL 59 2HG2 VAL 59 -3.150 -0.189 6.618 481 3HG2 VAL 59 3HG2 VAL 59 -2.028 0.949 5.875 482 H LYS 60 H LYS 60 -5.866 3.595 7.661 483 HA LYS 60 HA LYS 60 -7.689 4.354 5.653 484 1HB LYS 60 1HB LYS 60 -8.175 3.670 8.086 485 2HB LYS 60 2HB LYS 60 -7.831 5.352 8.494 486 1HG LYS 60 1HG LYS 60 -9.512 5.879 6.545 487 2HG LYS 60 2HG LYS 60 -10.068 4.230 6.831 488 1HD LYS 60 1HD LYS 60 -10.632 4.711 9.103 489 2HD LYS 60 2HD LYS 60 -9.778 6.253 9.060 490 1HE LYS 60 1HE LYS 60 -11.401 7.005 7.276 491 2HE LYS 60 2HE LYS 60 -12.319 5.529 7.579 492 1HZ LYS 60 1HZ LYS 60 -12.347 6.249 9.977 493 2HZ LYS 60 2HZ LYS 60 -11.784 7.762 9.448 494 3HZ LYS 60 3HZ LYS 60 -13.288 7.177 8.915 495 H LYS 61 H LYS 61 -5.748 6.351 7.883 496 HA LYS 61 HA LYS 61 -6.640 8.844 6.885 497 1HB LYS 61 1HB LYS 61 -4.571 9.769 7.919 498 2HB LYS 61 2HB LYS 61 -5.468 8.721 9.016 499 1HG LYS 61 1HG LYS 61 -3.960 6.876 8.593 500 2HG LYS 61 2HG LYS 61 -3.139 7.781 7.321 501 1HD LYS 61 1HD LYS 61 -3.288 9.008 10.044 502 2HD LYS 61 2HD LYS 61 -2.149 7.684 9.791 503 1HE LYS 61 1HE LYS 61 -1.448 9.021 7.659 504 2HE LYS 61 2HE LYS 61 -2.226 10.384 8.465 505 1HZ LYS 61 1HZ LYS 61 -0.230 8.697 9.845 506 2HZ LYS 61 2HZ LYS 61 0.234 10.029 8.898 507 3HZ LYS 61 3HZ LYS 61 -0.759 10.259 10.254 508 H LEU 62 H LEU 62 -4.172 6.603 5.821 509 HA LEU 62 HA LEU 62 -2.818 8.342 4.022 510 1HB LEU 62 1HB LEU 62 -3.098 5.367 4.242 511 2HB LEU 62 2HB LEU 62 -2.316 6.082 2.852 512 HG LEU 62 HG LEU 62 -1.430 6.524 5.706 513 1HD1 LEU 62 1HD1 LEU 62 -1.262 4.148 4.900 514 2HD1 LEU 62 2HD1 LEU 62 -0.251 4.723 3.575 515 3HD1 LEU 62 3HD1 LEU 62 0.301 4.892 5.241 516 1HD2 LEU 62 1HD2 LEU 62 -0.452 7.351 2.985 517 2HD2 LEU 62 2HD2 LEU 62 -0.555 8.305 4.465 518 3HD2 LEU 62 3HD2 LEU 62 0.716 7.097 4.282 519 H MET 63 H MET 63 -5.252 5.812 3.497 520 HA MET 63 HA MET 63 -5.715 6.162 0.782 521 1HB MET 63 1HB MET 63 -7.719 5.470 2.940 522 2HB MET 63 2HB MET 63 -8.003 5.283 1.213 523 1HG MET 63 1HG MET 63 -5.733 3.959 2.722 524 2HG MET 63 2HG MET 63 -7.251 3.164 2.317 525 1HE MET 63 1HE MET 63 -7.995 2.374 0.454 526 2HE MET 63 2HE MET 63 -8.003 3.662 -0.759 527 3HE MET 63 3HE MET 63 -7.184 2.138 -1.091 528 H GLN 64 H GLN 64 -7.179 7.881 3.502 529 HA GLN 64 HA GLN 64 -8.845 9.535 1.831 530 1HB GLN 64 1HB GLN 64 -9.092 8.896 4.385 531 2HB GLN 64 2HB GLN 64 -8.099 10.335 4.614 532 1HG GLN 64 1HG GLN 64 -9.748 11.551 3.087 533 2HG GLN 64 2HG GLN 64 -10.796 10.142 3.261 534 2HE2 GLN 64 2HE2 GLN 64 -12.404 11.355 4.491 535 1HE2 GLN 64 1HE2 GLN 64 -12.104 11.846 6.088 536 H GLN 65 H GLN 65 -5.662 9.751 3.277 537 HA GLN 65 HA GLN 65 -5.264 12.542 2.861 538 1HB GLN 65 1HB GLN 65 -3.525 10.205 3.512 539 2HB GLN 65 2HB GLN 65 -2.756 11.678 2.923 540 1HG GLN 65 1HG GLN 65 -4.827 12.117 4.987 541 2HG GLN 65 2HG GLN 65 -3.413 11.226 5.543 542 2HE2 GLN 65 2HE2 GLN 65 -1.817 12.586 6.337 543 1HE2 GLN 65 1HE2 GLN 65 -1.506 14.158 5.780 544 H LEU 66 H LEU 66 -4.572 9.646 0.968 545 HA LEU 66 HA LEU 66 -3.491 11.291 -1.216 546 1HB LEU 66 1HB LEU 66 -3.472 8.352 -0.644 547 2HB LEU 66 2HB LEU 66 -3.092 8.976 -2.233 548 HG LEU 66 HG LEU 66 -1.038 8.587 -1.065 549 1HD1 LEU 66 1HD1 LEU 66 -1.498 10.840 -2.341 550 2HD1 LEU 66 2HD1 LEU 66 -1.346 11.548 -0.732 551 3HD1 LEU 66 3HD1 LEU 66 -0.004 10.639 -1.426 552 1HD2 LEU 66 1HD2 LEU 66 -2.228 8.780 1.225 553 2HD2 LEU 66 2HD2 LEU 66 -0.561 9.345 1.124 554 3HD2 LEU 66 3HD2 LEU 66 -1.888 10.507 1.097 555 HA PRO 67 HA PRO 67 -7.279 10.863 -3.440 556 1HB PRO 67 1HB PRO 67 -6.388 11.241 -6.004 557 2HB PRO 67 2HB PRO 67 -6.559 12.540 -4.815 558 1HG PRO 67 1HG PRO 67 -4.102 11.236 -5.830 559 2HG PRO 67 2HG PRO 67 -4.325 12.860 -5.165 560 1HD PRO 67 1HD PRO 67 -3.228 10.625 -3.806 561 2HD PRO 67 2HD PRO 67 -3.711 12.175 -3.075 562 H VAL 68 H VAL 68 -5.095 9.521 -5.893 563 HA VAL 68 HA VAL 68 -5.408 6.802 -5.477 564 HB VAL 68 HB VAL 68 -7.815 8.062 -6.649 565 1HG1 VAL 68 1HG1 VAL 68 -6.677 5.586 -7.988 566 2HG1 VAL 68 2HG1 VAL 68 -8.310 6.210 -8.219 567 3HG1 VAL 68 3HG1 VAL 68 -6.921 7.156 -8.755 568 1HG2 VAL 68 1HG2 VAL 68 -7.043 5.812 -4.945 569 2HG2 VAL 68 2HG2 VAL 68 -8.539 6.742 -4.969 570 3HG2 VAL 68 3HG2 VAL 68 -8.327 5.386 -6.074 571 H THR 69 H THR 69 -4.755 5.533 -7.394 572 HA THR 69 HA THR 69 -2.589 6.740 -8.740 573 HB THR 69 HB THR 69 -3.005 4.593 -10.283 574 HG1 THR 69 HG1 THR 69 -4.741 3.640 -9.593 575 1HG2 THR 69 1HG2 THR 69 -1.281 5.211 -8.345 576 2HG2 THR 69 2HG2 THR 69 -2.204 3.987 -7.473 577 3HG2 THR 69 3HG2 THR 69 -1.398 3.571 -8.985 578 H ALA 70 H ALA 70 -2.460 7.877 -10.565 579 HA ALA 70 HA ALA 70 -4.393 7.599 -12.696 580 1HB ALA 70 1HB ALA 70 -4.850 10.149 -12.616 581 2HB ALA 70 2HB ALA 70 -5.752 9.107 -11.516 582 3HB ALA 70 3HB ALA 70 -4.370 10.031 -10.923 583 H ARG 71 H ARG 71 -1.527 7.321 -12.316 584 HA ARG 71 HA ARG 71 -0.240 9.596 -13.540 585 1HB ARG 71 1HB ARG 71 0.806 7.800 -11.972 586 2HB ARG 71 2HB ARG 71 0.954 6.840 -13.444 587 1HG ARG 71 1HG ARG 71 2.003 9.025 -14.443 588 2HG ARG 71 2HG ARG 71 2.267 9.454 -12.753 589 1HD ARG 71 1HD ARG 71 3.591 7.495 -12.372 590 2HD ARG 71 2HD ARG 71 3.126 6.800 -13.921 591 HE ARG 71 HE ARG 71 4.442 9.315 -14.272 592 1HH1 ARG 71 1HH1 ARG 71 5.021 5.938 -13.555 593 2HH1 ARG 71 2HH1 ARG 71 6.629 5.962 -14.191 594 1HH2 ARG 71 1HH2 ARG 71 6.543 9.301 -15.091 595 2HH2 ARG 71 2HH2 ARG 71 7.486 7.849 -15.053 No H/Q in entry = 595 Start of MODEL 25 1 H1 LEU 1 H1 LEU 1 -24.969 -13.425 -11.230 2 H2 LEU 1 H2 LEU 1 -23.849 -13.127 -9.987 3 H3 LEU 1 H3 LEU 1 -25.362 -12.363 -9.964 4 HA LEU 1 HA LEU 1 -24.835 -10.911 -11.663 5 1HB LEU 1 1HB LEU 1 -23.458 -10.664 -9.497 6 2HB LEU 1 2HB LEU 1 -22.115 -11.341 -10.420 7 HG LEU 1 HG LEU 1 -22.673 -9.529 -12.182 8 1HD1 LEU 1 1HD1 LEU 1 -24.184 -8.534 -9.754 9 2HD1 LEU 1 2HD1 LEU 1 -23.678 -7.474 -11.070 10 3HD1 LEU 1 3HD1 LEU 1 -24.811 -8.790 -11.382 11 1HD2 LEU 1 1HD2 LEU 1 -21.435 -9.073 -9.473 12 2HD2 LEU 1 2HD2 LEU 1 -20.638 -9.256 -11.036 13 3HD2 LEU 1 3HD2 LEU 1 -21.494 -7.763 -10.652 14 H GLY 2 H GLY 2 -22.614 -13.656 -11.536 15 1HA GLY 2 1HA GLY 2 -22.448 -13.688 -14.442 16 2HA GLY 2 2HA GLY 2 -21.802 -14.902 -13.342 17 H ALA 3 H ALA 3 -20.147 -13.552 -11.723 18 HA ALA 3 HA ALA 3 -17.848 -13.117 -13.323 19 1HB ALA 3 1HB ALA 3 -18.599 -10.575 -11.946 20 2HB ALA 3 2HB ALA 3 -19.319 -10.920 -13.519 21 3HB ALA 3 3HB ALA 3 -17.566 -10.827 -13.353 22 H SER 4 H SER 4 -16.393 -14.031 -12.046 23 HA SER 4 HA SER 4 -15.851 -12.983 -9.417 24 1HB SER 4 1HB SER 4 -17.730 -14.540 -8.928 25 2HB SER 4 2HB SER 4 -16.792 -15.854 -9.630 26 HG SER 4 HG SER 4 -15.859 -16.004 -7.763 27 H TRP 5 H TRP 5 -14.482 -13.363 -11.951 28 HA TRP 5 HA TRP 5 -12.146 -14.811 -10.928 29 1HB TRP 5 1HB TRP 5 -13.607 -16.318 -12.447 30 2HB TRP 5 2HB TRP 5 -13.035 -15.291 -13.763 31 HD1 TRP 5 HD1 TRP 5 -11.719 -17.653 -11.033 32 HE1 TRP 5 HE1 TRP 5 -9.398 -18.514 -11.749 33 HE3 TRP 5 HE3 TRP 5 -11.005 -14.867 -15.253 34 HZ2 TRP 5 HZ2 TRP 5 -7.490 -18.080 -13.835 35 HZ3 TRP 5 HZ3 TRP 5 -8.930 -15.111 -16.584 36 HH2 TRP 5 HH2 TRP 5 -7.173 -16.712 -15.881 37 H HIS 6 H HIS 6 -10.388 -13.617 -11.206 38 HA HIS 6 HA HIS 6 -10.476 -11.418 -13.172 39 1HB HIS 6 1HB HIS 6 -9.942 -11.182 -10.567 40 2HB HIS 6 2HB HIS 6 -8.318 -11.588 -11.122 41 HD1 HIS 6 HD1 HIS 6 -10.927 -9.486 -12.928 42 HD2 HIS 6 HD2 HIS 6 -7.136 -9.074 -11.244 43 HE1 HIS 6 HE1 HIS 6 -10.135 -7.151 -13.508 44 H ARG 7 H ARG 7 -9.082 -11.342 -14.832 45 HA ARG 7 HA ARG 7 -7.550 -13.660 -15.497 46 1HB ARG 7 1HB ARG 7 -8.218 -11.088 -16.771 47 2HB ARG 7 2HB ARG 7 -6.632 -11.721 -17.210 48 1HG ARG 7 1HG ARG 7 -7.634 -13.858 -17.864 49 2HG ARG 7 2HG ARG 7 -9.224 -13.288 -17.356 50 1HD ARG 7 1HD ARG 7 -9.296 -11.645 -19.080 51 2HD ARG 7 2HD ARG 7 -7.580 -11.832 -19.430 52 HE ARG 7 HE ARG 7 -8.913 -14.302 -19.849 53 1HH1 ARG 7 1HH1 ARG 7 -8.591 -11.105 -21.240 54 2HH1 ARG 7 2HH1 ARG 7 -8.922 -11.648 -22.848 55 1HH2 ARG 7 1HH2 ARG 7 -9.340 -14.967 -21.962 56 2HH2 ARG 7 2HH2 ARG 7 -9.343 -13.815 -23.256 57 HA PRO 8 HA PRO 8 -3.717 -11.011 -14.515 58 1HB PRO 8 1HB PRO 8 -4.036 -8.534 -13.410 59 2HB PRO 8 2HB PRO 8 -3.996 -8.833 -15.153 60 1HG PRO 8 1HG PRO 8 -6.300 -8.183 -13.408 61 2HG PRO 8 2HG PRO 8 -6.071 -7.877 -15.136 62 1HD PRO 8 1HD PRO 8 -7.622 -9.955 -13.991 63 2HD PRO 8 2HD PRO 8 -7.154 -9.804 -15.700 64 H ASP 9 H ASP 9 -3.702 -12.674 -12.869 65 HA ASP 9 HA ASP 9 -4.619 -12.070 -10.192 66 1HB ASP 9 1HB ASP 9 -2.940 -14.350 -11.266 67 2HB ASP 9 2HB ASP 9 -3.544 -14.238 -9.612 68 H LYS 10 H LYS 10 -3.540 -10.844 -8.811 69 HA LYS 10 HA LYS 10 -0.734 -11.165 -8.332 70 1HB LYS 10 1HB LYS 10 -1.010 -9.629 -10.458 71 2HB LYS 10 2HB LYS 10 -1.401 -8.397 -9.257 72 1HG LYS 10 1HG LYS 10 0.786 -9.452 -8.089 73 2HG LYS 10 2HG LYS 10 1.179 -9.784 -9.777 74 1HD LYS 10 1HD LYS 10 1.052 -7.479 -10.366 75 2HD LYS 10 2HD LYS 10 0.260 -7.058 -8.848 76 1HE LYS 10 1HE LYS 10 2.224 -7.168 -7.630 77 2HE LYS 10 2HE LYS 10 2.954 -8.350 -8.716 78 1HZ LYS 10 1HZ LYS 10 2.422 -5.534 -9.480 79 2HZ LYS 10 2HZ LYS 10 3.906 -6.066 -8.855 80 3HZ LYS 10 3HZ LYS 10 3.340 -6.681 -10.333 81 H CYS 11 H CYS 11 -3.229 -11.226 -6.873 82 HA CYS 11 HA CYS 11 -3.657 -8.883 -5.351 83 1HB CYS 11 1HB CYS 11 -4.093 -11.748 -4.472 84 2HB CYS 11 2HB CYS 11 -4.854 -10.311 -3.792 85 H CYS 12 H CYS 12 -3.436 -9.389 -2.740 86 HA CYS 12 HA CYS 12 -0.541 -9.851 -2.310 87 1HB CYS 12 1HB CYS 12 -1.510 -7.431 -2.094 88 2HB CYS 12 2HB CYS 12 -2.144 -8.019 -0.556 89 H LEU 13 H LEU 13 0.051 -10.601 -0.183 90 HA LEU 13 HA LEU 13 -2.109 -12.147 1.123 91 1HB LEU 13 1HB LEU 13 0.819 -12.841 0.926 92 2HB LEU 13 2HB LEU 13 -0.400 -13.781 1.758 93 HG LEU 13 HG LEU 13 -0.339 -13.259 -1.224 94 1HD1 LEU 13 1HD1 LEU 13 1.493 -14.733 -0.426 95 2HD1 LEU 13 2HD1 LEU 13 0.302 -15.762 0.368 96 3HD1 LEU 13 3HD1 LEU 13 0.314 -15.620 -1.390 97 1HD2 LEU 13 1HD2 LEU 13 -2.088 -15.036 0.509 98 2HD2 LEU 13 2HD2 LEU 13 -2.610 -13.587 -0.348 99 3HD2 LEU 13 3HD2 LEU 13 -2.104 -15.012 -1.256 100 H GLY 14 H GLY 14 0.943 -10.430 1.596 101 1HA GLY 14 1HA GLY 14 1.949 -9.948 3.724 102 2HA GLY 14 2HA GLY 14 0.388 -10.236 4.487 103 H TYR 15 H TYR 15 1.494 -8.009 5.301 104 HA TYR 15 HA TYR 15 0.605 -5.791 3.590 105 1HB TYR 15 1HB TYR 15 -0.356 -6.249 6.423 106 2HB TYR 15 2HB TYR 15 -0.574 -4.750 5.524 107 HD1 TYR 15 HD1 TYR 15 -1.390 -8.381 5.554 108 HD2 TYR 15 HD2 TYR 15 -2.244 -4.537 3.854 109 HE1 TYR 15 HE1 TYR 15 -3.405 -9.317 4.449 110 HE2 TYR 15 HE2 TYR 15 -4.254 -5.461 2.751 111 HH TYR 15 HH TYR 15 -5.543 -8.518 3.549 112 H GLN 16 H GLN 16 1.053 -3.651 4.914 113 HA GLN 16 HA GLN 16 3.834 -3.406 5.175 114 1HB GLN 16 1HB GLN 16 2.333 -1.488 4.722 115 2HB GLN 16 2HB GLN 16 1.694 -1.615 6.356 116 1HG GLN 16 1HG GLN 16 3.432 0.144 6.191 117 2HG GLN 16 2HG GLN 16 3.914 -1.147 7.288 118 2HE2 GLN 16 2HE2 GLN 16 5.495 -2.770 6.419 119 1HE2 GLN 16 1HE2 GLN 16 6.550 -2.313 5.172 120 H LYS 17 H LYS 17 1.316 -3.822 7.616 121 HA LYS 17 HA LYS 17 1.399 -4.505 9.807 122 1HB LYS 17 1HB LYS 17 4.243 -5.336 9.190 123 2HB LYS 17 2HB LYS 17 3.253 -5.885 10.543 124 1HG LYS 17 1HG LYS 17 2.304 -6.238 7.706 125 2HG LYS 17 2HG LYS 17 3.404 -7.406 8.438 126 1HD LYS 17 1HD LYS 17 0.845 -6.553 9.799 127 2HD LYS 17 2HD LYS 17 0.894 -7.902 8.663 128 1HE LYS 17 1HE LYS 17 2.967 -7.882 10.798 129 2HE LYS 17 2HE LYS 17 1.314 -8.227 11.303 130 1HZ LYS 17 1HZ LYS 17 2.510 -9.594 8.977 131 2HZ LYS 17 2HZ LYS 17 2.778 -10.164 10.552 132 3HZ LYS 17 3HZ LYS 17 1.196 -10.080 9.938 133 H ARG 18 H ARG 18 2.472 -1.799 8.855 134 HA ARG 18 HA ARG 18 3.101 -0.773 11.413 135 1HB ARG 18 1HB ARG 18 5.425 -0.024 10.980 136 2HB ARG 18 2HB ARG 18 5.297 -1.781 11.062 137 1HG ARG 18 1HG ARG 18 5.251 -1.912 8.610 138 2HG ARG 18 2HG ARG 18 5.328 -0.153 8.502 139 1HD ARG 18 1HD ARG 18 7.562 -1.066 8.179 140 2HD ARG 18 2HD ARG 18 7.503 -0.209 9.716 141 HE ARG 18 HE ARG 18 6.900 -2.944 10.142 142 1HH1 ARG 18 1HH1 ARG 18 9.578 -0.849 9.310 143 2HH1 ARG 18 2HH1 ARG 18 10.764 -1.905 9.994 144 1HH2 ARG 18 1HH2 ARG 18 8.479 -4.292 11.021 145 2HH2 ARG 18 2HH2 ARG 18 10.150 -3.838 10.955 146 HA PRO 19 HA PRO 19 1.824 2.747 9.061 147 1HB PRO 19 1HB PRO 19 2.193 4.691 10.943 148 2HB PRO 19 2HB PRO 19 0.868 3.520 10.979 149 1HG PRO 19 1HG PRO 19 3.271 3.672 12.678 150 2HG PRO 19 2HG PRO 19 1.716 2.889 12.992 151 1HD PRO 19 1HD PRO 19 4.153 1.626 12.178 152 2HD PRO 19 2HD PRO 19 2.555 0.868 12.369 153 H LEU 20 H LEU 20 2.738 3.982 7.550 154 HA LEU 20 HA LEU 20 5.532 4.873 7.946 155 1HB LEU 20 1HB LEU 20 4.380 4.904 5.223 156 2HB LEU 20 2HB LEU 20 5.992 4.484 5.754 157 HG LEU 20 HG LEU 20 3.533 2.723 5.774 158 1HD1 LEU 20 1HD1 LEU 20 5.232 3.235 3.733 159 2HD1 LEU 20 2HD1 LEU 20 6.120 1.940 4.535 160 3HD1 LEU 20 3HD1 LEU 20 4.471 1.663 3.972 161 1HD2 LEU 20 1HD2 LEU 20 6.121 2.545 7.241 162 2HD2 LEU 20 2HD2 LEU 20 4.538 1.901 7.674 163 3HD2 LEU 20 3HD2 LEU 20 5.534 1.064 6.484 164 HA PRO 21 HA PRO 21 4.069 9.028 7.531 165 1HB PRO 21 1HB PRO 21 6.316 10.278 6.600 166 2HB PRO 21 2HB PRO 21 6.135 9.685 8.261 167 1HG PRO 21 1HG PRO 21 7.768 8.597 6.053 168 2HG PRO 21 2HG PRO 21 7.966 8.405 7.801 169 1HD PRO 21 1HD PRO 21 6.845 6.510 5.977 170 2HD PRO 21 2HD PRO 21 6.907 6.386 7.751 171 H GLN 22 H GLN 22 2.883 10.152 6.078 172 HA GLN 22 HA GLN 22 2.912 9.447 3.292 173 1HB GLN 22 1HB GLN 22 0.896 10.207 4.701 174 2HB GLN 22 2HB GLN 22 1.510 11.843 4.459 175 1HG GLN 22 1HG GLN 22 1.629 10.939 1.913 176 2HG GLN 22 2HG GLN 22 0.278 9.972 2.504 177 2HE2 GLN 22 2HE2 GLN 22 0.913 12.860 1.002 178 1HE2 GLN 22 1HE2 GLN 22 -0.427 13.756 1.532 179 H VAL 23 H VAL 23 4.843 11.525 5.113 180 HA VAL 23 HA VAL 23 5.142 13.824 3.610 181 HB VAL 23 HB VAL 23 6.205 13.437 5.797 182 1HG1 VAL 23 1HG1 VAL 23 6.960 11.029 4.860 183 2HG1 VAL 23 2HG1 VAL 23 8.451 11.925 4.561 184 3HG1 VAL 23 3HG1 VAL 23 7.791 11.829 6.194 185 1HG2 VAL 23 1HG2 VAL 23 8.157 14.052 3.558 186 2HG2 VAL 23 2HG2 VAL 23 7.107 15.212 4.371 187 3HG2 VAL 23 3HG2 VAL 23 8.416 14.435 5.260 188 H LEU 24 H LEU 24 6.105 10.577 2.794 189 HA LEU 24 HA LEU 24 7.431 11.654 0.383 190 1HB LEU 24 1HB LEU 24 9.132 10.086 0.452 191 2HB LEU 24 2HB LEU 24 8.981 10.617 2.106 192 HG LEU 24 HG LEU 24 9.309 8.311 2.282 193 1HD1 LEU 24 1HD1 LEU 24 7.256 9.120 3.505 194 2HD1 LEU 24 2HD1 LEU 24 6.291 8.483 2.174 195 3HD1 LEU 24 3HD1 LEU 24 7.269 7.392 3.155 196 1HD2 LEU 24 1HD2 LEU 24 8.642 8.168 -0.325 197 2HD2 LEU 24 2HD2 LEU 24 8.743 6.744 0.711 198 3HD2 LEU 24 3HD2 LEU 24 7.177 7.486 0.381 199 H LEU 25 H LEU 25 4.753 10.013 1.399 200 HA LEU 25 HA LEU 25 4.691 7.926 -0.581 201 1HB LEU 25 1HB LEU 25 3.334 8.315 1.703 202 2HB LEU 25 2HB LEU 25 2.180 8.993 0.579 203 HG LEU 25 HG LEU 25 1.949 6.886 -0.561 204 1HD1 LEU 25 1HD1 LEU 25 4.489 6.303 0.835 205 2HD1 LEU 25 2HD1 LEU 25 3.343 4.962 0.801 206 3HD1 LEU 25 3HD1 LEU 25 3.886 5.695 -0.706 207 1HD2 LEU 25 1HD2 LEU 25 1.784 6.969 2.417 208 2HD2 LEU 25 2HD2 LEU 25 0.500 6.764 1.226 209 3HD2 LEU 25 3HD2 LEU 25 1.547 5.405 1.635 210 H SER 26 H SER 26 2.692 7.896 -2.102 211 HA SER 26 HA SER 26 2.371 10.562 -3.343 212 1HB SER 26 1HB SER 26 3.940 8.684 -4.469 213 2HB SER 26 2HB SER 26 2.386 8.200 -5.140 214 HG SER 26 HG SER 26 3.847 10.020 -6.108 215 H SER 27 H SER 27 1.151 7.250 -3.902 216 HA SER 27 HA SER 27 -1.560 8.060 -3.219 217 1HB SER 27 1HB SER 27 -0.668 8.209 -5.926 218 2HB SER 27 2HB SER 27 -1.788 6.857 -5.806 219 HG SER 27 HG SER 27 -3.117 8.537 -6.032 220 H TRP 28 H TRP 28 -2.930 5.981 -4.423 221 HA TRP 28 HA TRP 28 -1.568 3.482 -3.730 222 1HB TRP 28 1HB TRP 28 -3.519 2.791 -2.292 223 2HB TRP 28 2HB TRP 28 -2.503 4.046 -1.588 224 HD1 TRP 28 HD1 TRP 28 -3.456 6.535 -1.543 225 HE1 TRP 28 HE1 TRP 28 -5.863 7.451 -1.649 226 HE3 TRP 28 HE3 TRP 28 -5.906 2.399 -3.288 227 HZ2 TRP 28 HZ2 TRP 28 -8.475 6.547 -2.379 228 HZ3 TRP 28 HZ3 TRP 28 -8.348 2.460 -3.680 229 HH2 TRP 28 HH2 TRP 28 -9.637 4.527 -3.227 230 H TYR 29 H TYR 29 -2.314 1.758 -4.886 231 HA TYR 29 HA TYR 29 -4.651 2.278 -6.616 232 1HB TYR 29 1HB TYR 29 -3.670 1.034 -8.375 233 2HB TYR 29 2HB TYR 29 -2.385 2.067 -7.766 234 HD1 TYR 29 HD1 TYR 29 -0.484 1.113 -6.511 235 HD2 TYR 29 HD2 TYR 29 -3.644 -1.376 -8.019 236 HE1 TYR 29 HE1 TYR 29 0.925 -0.894 -6.155 237 HE2 TYR 29 HE2 TYR 29 -2.234 -3.382 -7.661 238 HH TYR 29 HH TYR 29 -0.002 -3.755 -5.828 239 HA PRO 30 HA PRO 30 -6.360 -1.230 -4.476 240 1HB PRO 30 1HB PRO 30 -8.664 -1.480 -5.921 241 2HB PRO 30 2HB PRO 30 -8.395 -0.219 -4.709 242 1HG PRO 30 1HG PRO 30 -8.450 -0.007 -7.658 243 2HG PRO 30 2HG PRO 30 -8.768 1.230 -6.432 244 1HD PRO 30 1HD PRO 30 -6.373 0.900 -7.940 245 2HD PRO 30 2HD PRO 30 -6.628 2.003 -6.568 246 H THR 31 H THR 31 -6.921 -3.462 -4.778 247 HA THR 31 HA THR 31 -6.053 -4.585 -7.376 248 HB THR 31 HB THR 31 -4.393 -5.046 -5.628 249 HG1 THR 31 HG1 THR 31 -4.204 -7.050 -6.258 250 1HG2 THR 31 1HG2 THR 31 -6.038 -4.899 -3.724 251 2HG2 THR 31 2HG2 THR 31 -6.608 -6.507 -4.172 252 3HG2 THR 31 3HG2 THR 31 -4.945 -6.280 -3.631 253 H SER 32 H SER 32 -6.761 -7.122 -7.222 254 HA SER 32 HA SER 32 -9.550 -7.124 -7.628 255 1HB SER 32 1HB SER 32 -7.437 -9.217 -7.440 256 2HB SER 32 2HB SER 32 -9.115 -9.730 -7.295 257 HG SER 32 HG SER 32 -9.105 -9.602 -9.392 258 H GLN 33 H GLN 33 -11.254 -7.582 -6.341 259 HA GLN 33 HA GLN 33 -10.715 -7.879 -3.472 260 1HB GLN 33 1HB GLN 33 -13.119 -7.250 -3.241 261 2HB GLN 33 2HB GLN 33 -12.150 -6.018 -4.042 262 1HG GLN 33 1HG GLN 33 -13.096 -6.438 -6.123 263 2HG GLN 33 2HG GLN 33 -13.515 -8.100 -5.712 264 2HE2 GLN 33 2HE2 GLN 33 -14.320 -4.783 -4.521 265 1HE2 GLN 33 1HE2 GLN 33 -15.972 -5.111 -4.305 266 H LEU 34 H LEU 34 -10.305 -10.186 -5.013 267 HA LEU 34 HA LEU 34 -12.253 -11.950 -3.760 268 1HB LEU 34 1HB LEU 34 -12.458 -13.238 -5.973 269 2HB LEU 34 2HB LEU 34 -13.452 -11.822 -5.732 270 HG LEU 34 HG LEU 34 -12.452 -12.075 -8.030 271 1HD1 LEU 34 1HD1 LEU 34 -12.989 -9.833 -6.592 272 2HD1 LEU 34 2HD1 LEU 34 -11.297 -9.551 -7.001 273 3HD1 LEU 34 3HD1 LEU 34 -12.481 -9.811 -8.281 274 1HD2 LEU 34 1HD2 LEU 34 -9.897 -11.392 -6.542 275 2HD2 LEU 34 2HD2 LEU 34 -10.242 -12.920 -7.350 276 3HD2 LEU 34 3HD2 LEU 34 -10.075 -11.441 -8.296 277 H CYS 35 H CYS 35 -9.681 -11.623 -3.022 278 HA CYS 35 HA CYS 35 -8.375 -14.094 -4.004 279 1HB CYS 35 1HB CYS 35 -7.240 -11.377 -3.473 280 2HB CYS 35 2HB CYS 35 -6.238 -12.794 -3.160 281 H SER 36 H SER 36 -10.227 -13.721 -1.760 282 HA SER 36 HA SER 36 -10.437 -14.551 0.378 283 1HB SER 36 1HB SER 36 -7.552 -15.174 0.701 284 2HB SER 36 2HB SER 36 -8.967 -16.131 1.130 285 HG SER 36 HG SER 36 -7.449 -16.444 -0.953 286 H LYS 37 H LYS 37 -7.139 -13.208 0.253 287 HA LYS 37 HA LYS 37 -7.946 -11.311 2.380 288 1HB LYS 37 1HB LYS 37 -5.556 -11.330 3.091 289 2HB LYS 37 2HB LYS 37 -6.344 -12.895 3.278 290 1HG LYS 37 1HG LYS 37 -5.242 -12.755 0.627 291 2HG LYS 37 2HG LYS 37 -3.993 -12.273 1.773 292 1HD LYS 37 1HD LYS 37 -5.610 -14.646 2.533 293 2HD LYS 37 2HD LYS 37 -4.512 -14.858 1.169 294 1HE LYS 37 1HE LYS 37 -2.663 -13.925 2.573 295 2HE LYS 37 2HE LYS 37 -3.775 -13.876 3.941 296 1HZ LYS 37 1HZ LYS 37 -4.109 -16.274 3.673 297 2HZ LYS 37 2HZ LYS 37 -2.964 -16.293 2.419 298 3HZ LYS 37 3HZ LYS 37 -2.489 -15.892 4.000 299 HA PRO 38 HA PRO 38 -6.568 -8.832 -1.259 300 1HB PRO 38 1HB PRO 38 -8.716 -7.147 -1.321 301 2HB PRO 38 2HB PRO 38 -8.670 -8.711 -2.148 302 1HG PRO 38 1HG PRO 38 -10.133 -7.925 0.300 303 2HG PRO 38 2HG PRO 38 -10.492 -9.208 -0.867 304 1HD PRO 38 1HD PRO 38 -9.283 -9.528 1.690 305 2HD PRO 38 2HD PRO 38 -9.442 -10.768 0.425 306 H GLY 39 H GLY 39 -5.987 -6.554 -1.402 307 1HA GLY 39 1HA GLY 39 -4.764 -5.491 0.844 308 2HA GLY 39 2HA GLY 39 -6.353 -4.735 0.767 309 H VAL 40 H VAL 40 -5.355 -2.691 0.368 310 HA VAL 40 HA VAL 40 -4.756 -2.288 -2.465 311 HB VAL 40 HB VAL 40 -4.984 -0.189 -0.299 312 1HG1 VAL 40 1HG1 VAL 40 -3.981 0.069 -2.798 313 2HG1 VAL 40 2HG1 VAL 40 -5.694 0.319 -3.131 314 3HG1 VAL 40 3HG1 VAL 40 -4.859 1.352 -1.971 315 1HG2 VAL 40 1HG2 VAL 40 -7.031 -1.709 -0.636 316 2HG2 VAL 40 2HG2 VAL 40 -7.291 0.026 -0.823 317 3HG2 VAL 40 3HG2 VAL 40 -7.141 -1.003 -2.248 318 H ILE 41 H ILE 41 -2.848 -1.611 -3.271 319 HA ILE 41 HA ILE 41 -0.553 -1.664 -1.432 320 HB ILE 41 HB ILE 41 -0.788 -2.045 -4.423 321 1HG1 ILE 41 1HG1 ILE 41 0.371 -4.240 -3.671 322 2HG1 ILE 41 2HG1 ILE 41 -0.148 -3.781 -2.049 323 1HG2 ILE 41 1HG2 ILE 41 1.673 -1.718 -2.694 324 2HG2 ILE 41 2HG2 ILE 41 1.719 -2.583 -4.229 325 3HG2 ILE 41 3HG2 ILE 41 1.278 -0.875 -4.193 326 1HD1 ILE 41 1HD1 ILE 41 -2.142 -3.725 -4.290 327 2HD1 ILE 41 2HD1 ILE 41 -1.719 -5.270 -3.553 328 3HD1 ILE 41 3HD1 ILE 41 -2.410 -3.981 -2.566 329 H PHE 42 H PHE 42 0.681 0.082 -1.087 330 HA PHE 42 HA PHE 42 -0.190 2.629 -2.229 331 1HB PHE 42 1HB PHE 42 1.554 1.819 0.073 332 2HB PHE 42 2HB PHE 42 1.718 3.436 -0.610 333 HD1 PHE 42 HD1 PHE 42 -0.139 5.039 -0.529 334 HD2 PHE 42 HD2 PHE 42 -0.474 1.133 1.225 335 HE1 PHE 42 HE1 PHE 42 -2.161 5.769 0.709 336 HE2 PHE 42 HE2 PHE 42 -2.496 1.863 2.461 337 HZ PHE 42 HZ PHE 42 -3.339 4.180 2.204 338 H LEU 43 H LEU 43 1.427 4.169 -3.008 339 HA LEU 43 HA LEU 43 3.822 2.900 -4.176 340 1HB LEU 43 1HB LEU 43 2.213 4.919 -5.707 341 2HB LEU 43 2HB LEU 43 3.474 3.862 -6.294 342 HG LEU 43 HG LEU 43 1.450 3.028 -7.189 343 1HD1 LEU 43 1HD1 LEU 43 2.994 1.481 -5.449 344 2HD1 LEU 43 2HD1 LEU 43 1.333 1.111 -4.991 345 3HD1 LEU 43 3HD1 LEU 43 1.862 0.877 -6.656 346 1HD2 LEU 43 1HD2 LEU 43 0.199 4.305 -5.167 347 2HD2 LEU 43 2HD2 LEU 43 -0.590 3.067 -6.143 348 3HD2 LEU 43 3HD2 LEU 43 0.091 2.649 -4.570 349 H THR 44 H THR 44 5.278 3.904 -2.844 350 HA THR 44 HA THR 44 5.087 6.601 -1.993 351 HB THR 44 HB THR 44 7.500 6.343 -1.429 352 HG1 THR 44 HG1 THR 44 7.848 4.903 -3.307 353 1HG2 THR 44 1HG2 THR 44 5.388 4.398 -0.647 354 2HG2 THR 44 2HG2 THR 44 7.036 4.049 -0.126 355 3HG2 THR 44 3HG2 THR 44 6.266 5.564 0.342 356 H LYS 45 H LYS 45 6.784 8.270 -2.565 357 HA LYS 45 HA LYS 45 6.557 8.982 -5.283 358 1HB LYS 45 1HB LYS 45 8.233 9.965 -2.998 359 2HB LYS 45 2HB LYS 45 8.554 10.552 -4.630 360 1HG LYS 45 1HG LYS 45 6.601 11.734 -4.737 361 2HG LYS 45 2HG LYS 45 5.702 10.532 -3.811 362 1HD LYS 45 1HD LYS 45 6.222 11.494 -1.797 363 2HD LYS 45 2HD LYS 45 7.818 12.015 -2.340 364 1HE LYS 45 1HE LYS 45 7.026 13.989 -3.224 365 2HE LYS 45 2HE LYS 45 5.451 13.301 -3.622 366 1HZ LYS 45 1HZ LYS 45 6.334 13.751 -0.831 367 2HZ LYS 45 2HZ LYS 45 5.504 14.934 -1.726 368 3HZ LYS 45 3HZ LYS 45 4.761 13.446 -1.398 369 H ARG 46 H ARG 46 9.432 7.913 -3.470 370 HA ARG 46 HA ARG 46 10.502 6.785 -5.984 371 1HB ARG 46 1HB ARG 46 11.571 8.985 -5.081 372 2HB ARG 46 2HB ARG 46 12.304 7.920 -3.880 373 1HG ARG 46 1HG ARG 46 13.006 6.457 -5.892 374 2HG ARG 46 2HG ARG 46 12.635 7.873 -6.877 375 1HD ARG 46 1HD ARG 46 14.421 8.098 -4.462 376 2HD ARG 46 2HD ARG 46 15.069 7.580 -6.015 377 HE ARG 46 HE ARG 46 14.234 10.252 -5.299 378 1HH1 ARG 46 1HH1 ARG 46 14.708 7.999 -7.938 379 2HH1 ARG 46 2HH1 ARG 46 14.911 9.248 -9.117 380 1HH2 ARG 46 1HH2 ARG 46 14.505 11.848 -6.870 381 2HH2 ARG 46 2HH2 ARG 46 14.797 11.409 -8.520 382 H GLY 47 H GLY 47 9.425 6.026 -2.935 383 1HA GLY 47 1HA GLY 47 9.834 4.334 -1.436 384 2HA GLY 47 2HA GLY 47 11.468 4.223 -2.081 385 H ARG 48 H ARG 48 8.521 2.700 -1.814 386 HA ARG 48 HA ARG 48 8.688 1.151 -4.278 387 1HB ARG 48 1HB ARG 48 9.749 0.191 -1.701 388 2HB ARG 48 2HB ARG 48 8.632 -0.926 -2.481 389 1HG ARG 48 1HG ARG 48 9.960 -0.734 -4.582 390 2HG ARG 48 2HG ARG 48 11.111 0.296 -3.730 391 1HD ARG 48 1HD ARG 48 11.219 -1.670 -2.016 392 2HD ARG 48 2HD ARG 48 10.536 -2.629 -3.325 393 HE ARG 48 HE ARG 48 13.234 -1.610 -3.159 394 1HH1 ARG 48 1HH1 ARG 48 10.684 -2.643 -5.324 395 2HH1 ARG 48 2HH1 ARG 48 11.777 -3.047 -6.601 396 1HH2 ARG 48 1HH2 ARG 48 14.624 -2.150 -4.850 397 2HH2 ARG 48 2HH2 ARG 48 13.990 -2.771 -6.338 398 H GLN 49 H GLN 49 7.119 -0.948 -3.726 399 HA GLN 49 HA GLN 49 4.540 0.306 -3.174 400 1HB GLN 49 1HB GLN 49 5.454 -2.201 -4.505 401 2HB GLN 49 2HB GLN 49 3.850 -2.202 -3.771 402 1HG GLN 49 1HG GLN 49 3.006 -0.717 -5.289 403 2HG GLN 49 2HG GLN 49 4.516 0.186 -5.402 404 2HE2 GLN 49 2HE2 GLN 49 5.120 0.088 -7.577 405 1HE2 GLN 49 1HE2 GLN 49 5.174 -1.336 -8.499 406 H VAL 50 H VAL 50 3.010 -0.632 -1.690 407 HA VAL 50 HA VAL 50 4.021 -2.556 0.263 408 HB VAL 50 HB VAL 50 3.095 0.188 1.144 409 1HG1 VAL 50 1HG1 VAL 50 2.774 -2.007 2.576 410 2HG1 VAL 50 2HG1 VAL 50 4.506 -1.834 2.856 411 3HG1 VAL 50 3HG1 VAL 50 3.403 -0.544 3.333 412 1HG2 VAL 50 1HG2 VAL 50 5.852 -1.050 0.979 413 2HG2 VAL 50 2HG2 VAL 50 5.290 0.414 0.173 414 3HG2 VAL 50 3HG2 VAL 50 5.488 0.392 1.926 415 H CYS 51 H CYS 51 2.449 -3.897 0.812 416 HA CYS 51 HA CYS 51 -0.282 -3.431 -0.004 417 1HB CYS 51 1HB CYS 51 1.051 -5.640 1.581 418 2HB CYS 51 2HB CYS 51 -0.674 -5.620 1.218 419 H ALA 52 H ALA 52 -1.963 -2.720 1.256 420 HA ALA 52 HA ALA 52 -1.625 -2.645 4.162 421 1HB ALA 52 1HB ALA 52 -0.699 -0.488 3.071 422 2HB ALA 52 2HB ALA 52 -2.393 -0.098 2.773 423 3HB ALA 52 3HB ALA 52 -1.820 -0.331 4.424 424 H ASP 53 H ASP 53 -3.450 -3.173 5.127 425 HA ASP 53 HA ASP 53 -5.909 -3.402 3.611 426 1HB ASP 53 1HB ASP 53 -4.918 -4.292 6.247 427 2HB ASP 53 2HB ASP 53 -6.629 -3.869 6.216 428 H LYS 54 H LYS 54 -7.352 -1.826 3.384 429 HA LYS 54 HA LYS 54 -7.095 0.737 4.472 430 1HB LYS 54 1HB LYS 54 -9.489 1.049 3.769 431 2HB LYS 54 2HB LYS 54 -8.437 0.425 2.500 432 1HG LYS 54 1HG LYS 54 -9.664 -1.681 4.156 433 2HG LYS 54 2HG LYS 54 -10.834 -0.710 3.264 434 1HD LYS 54 1HD LYS 54 -8.435 -1.551 1.733 435 2HD LYS 54 2HD LYS 54 -9.544 -2.844 2.190 436 1HE LYS 54 1HE LYS 54 -11.424 -1.405 1.260 437 2HE LYS 54 2HE LYS 54 -10.177 -0.355 0.590 438 1HZ LYS 54 1HZ LYS 54 -9.268 -2.253 -0.600 439 2HZ LYS 54 2HZ LYS 54 -10.478 -3.257 0.038 440 3HZ LYS 54 3HZ LYS 54 -10.895 -1.997 -1.023 441 H SER 55 H SER 55 -8.572 -2.128 5.791 442 HA SER 55 HA SER 55 -10.330 -1.013 7.664 443 1HB SER 55 1HB SER 55 -9.514 -3.179 9.005 444 2HB SER 55 2HB SER 55 -10.584 -3.287 7.612 445 HG SER 55 HG SER 55 -8.341 -4.482 7.841 446 H LYS 56 H LYS 56 -6.849 -1.167 7.625 447 HA LYS 56 HA LYS 56 -6.280 -0.888 10.359 448 1HB LYS 56 1HB LYS 56 -4.766 0.316 8.028 449 2HB LYS 56 2HB LYS 56 -4.132 0.040 9.652 450 1HG LYS 56 1HG LYS 56 -5.349 -2.307 8.286 451 2HG LYS 56 2HG LYS 56 -3.805 -1.737 7.652 452 1HD LYS 56 1HD LYS 56 -2.685 -2.118 9.681 453 2HD LYS 56 2HD LYS 56 -4.182 -2.129 10.613 454 1HE LYS 56 1HE LYS 56 -3.832 -4.401 10.509 455 2HE LYS 56 2HE LYS 56 -4.705 -4.201 8.989 456 1HZ LYS 56 1HZ LYS 56 -1.781 -3.875 9.050 457 2HZ LYS 56 2HZ LYS 56 -2.449 -5.435 9.015 458 3HZ LYS 56 3HZ LYS 56 -2.786 -4.339 7.760 459 H ASP 57 H ASP 57 -4.954 1.351 10.902 460 HA ASP 57 HA ASP 57 -7.053 3.422 10.777 461 1HB ASP 57 1HB ASP 57 -4.766 3.037 12.722 462 2HB ASP 57 2HB ASP 57 -5.879 4.405 12.746 463 H TRP 58 H TRP 58 -3.486 3.159 10.799 464 HA TRP 58 HA TRP 58 -3.068 5.803 9.877 465 1HB TRP 58 1HB TRP 58 -0.765 5.083 9.379 466 2HB TRP 58 2HB TRP 58 -1.277 4.575 10.984 467 HD1 TRP 58 HD1 TRP 58 -1.786 1.972 11.353 468 HE1 TRP 58 HE1 TRP 58 -0.955 -0.111 10.083 469 HE3 TRP 58 HE3 TRP 58 -0.145 4.160 7.050 470 HZ2 TRP 58 HZ2 TRP 58 0.251 -0.765 7.552 471 HZ3 TRP 58 HZ3 TRP 58 0.841 2.797 5.232 472 HH2 TRP 58 HH2 TRP 58 1.038 0.341 5.480 473 H VAL 59 H VAL 59 -3.738 2.799 8.240 474 HA VAL 59 HA VAL 59 -2.957 3.698 5.629 475 HB VAL 59 HB VAL 59 -4.865 1.477 6.405 476 1HG1 VAL 59 1HG1 VAL 59 -3.775 2.488 3.843 477 2HG1 VAL 59 2HG1 VAL 59 -3.669 0.741 4.062 478 3HG1 VAL 59 3HG1 VAL 59 -5.234 1.549 4.152 479 1HG2 VAL 59 1HG2 VAL 59 -1.879 1.479 5.869 480 2HG2 VAL 59 2HG2 VAL 59 -2.657 1.170 7.420 481 3HG2 VAL 59 3HG2 VAL 59 -2.861 0.030 6.090 482 H LYS 60 H LYS 60 -5.989 3.486 7.430 483 HA LYS 60 HA LYS 60 -7.771 4.303 5.441 484 1HB LYS 60 1HB LYS 60 -8.244 3.496 7.857 485 2HB LYS 60 2HB LYS 60 -8.062 5.193 8.301 486 1HG LYS 60 1HG LYS 60 -9.721 5.584 6.284 487 2HG LYS 60 2HG LYS 60 -10.154 3.901 6.584 488 1HD LYS 60 1HD LYS 60 -10.576 4.459 8.971 489 2HD LYS 60 2HD LYS 60 -10.214 6.149 8.619 490 1HE LYS 60 1HE LYS 60 -12.049 6.103 6.891 491 2HE LYS 60 2HE LYS 60 -12.475 4.493 7.470 492 1HZ LYS 60 1HZ LYS 60 -12.234 6.713 9.384 493 2HZ LYS 60 2HZ LYS 60 -13.649 6.559 8.455 494 3HZ LYS 60 3HZ LYS 60 -13.172 5.301 9.487 495 H LYS 61 H LYS 61 -5.625 6.187 7.493 496 HA LYS 61 HA LYS 61 -6.736 8.735 6.795 497 1HB LYS 61 1HB LYS 61 -4.177 7.840 8.099 498 2HB LYS 61 2HB LYS 61 -4.395 9.524 7.618 499 1HG LYS 61 1HG LYS 61 -6.606 9.461 8.893 500 2HG LYS 61 2HG LYS 61 -6.066 7.923 9.565 501 1HD LYS 61 1HD LYS 61 -3.988 9.062 10.373 502 2HD LYS 61 2HD LYS 61 -4.656 10.596 9.814 503 1HE LYS 61 1HE LYS 61 -6.316 8.877 11.621 504 2HE LYS 61 2HE LYS 61 -5.005 9.826 12.321 505 1HZ LYS 61 1HZ LYS 61 -5.950 11.792 11.204 506 2HZ LYS 61 2HZ LYS 61 -7.269 10.849 10.696 507 3HZ LYS 61 3HZ LYS 61 -7.005 11.113 12.350 508 H LEU 62 H LEU 62 -4.056 6.762 5.594 509 HA LEU 62 HA LEU 62 -3.059 8.679 3.744 510 1HB LEU 62 1HB LEU 62 -2.886 5.672 3.743 511 2HB LEU 62 2HB LEU 62 -2.017 6.709 2.632 512 HG LEU 62 HG LEU 62 -1.644 7.205 5.548 513 1HD1 LEU 62 1HD1 LEU 62 -0.745 4.762 4.040 514 2HD1 LEU 62 2HD1 LEU 62 0.262 5.430 5.326 515 3HD1 LEU 62 3HD1 LEU 62 -1.376 4.883 5.681 516 1HD2 LEU 62 1HD2 LEU 62 -0.202 7.560 2.967 517 2HD2 LEU 62 2HD2 LEU 62 -0.289 8.634 4.362 518 3HD2 LEU 62 3HD2 LEU 62 0.794 7.242 4.388 519 H MET 63 H MET 63 -5.342 5.990 3.479 520 HA MET 63 HA MET 63 -5.822 6.121 0.714 521 1HB MET 63 1HB MET 63 -7.705 5.344 2.952 522 2HB MET 63 2HB MET 63 -8.021 5.073 1.244 523 1HG MET 63 1HG MET 63 -5.616 3.986 2.735 524 2HG MET 63 2HG MET 63 -7.071 3.059 2.381 525 1HE MET 63 1HE MET 63 -7.825 2.224 0.512 526 2HE MET 63 2HE MET 63 -7.899 3.489 -0.713 527 3HE MET 63 3HE MET 63 -7.006 1.996 -1.031 528 H GLN 64 H GLN 64 -7.331 7.832 3.408 529 HA GLN 64 HA GLN 64 -9.168 9.275 1.703 530 1HB GLN 64 1HB GLN 64 -8.551 9.195 4.613 531 2HB GLN 64 2HB GLN 64 -9.271 10.677 3.983 532 1HG GLN 64 1HG GLN 64 -10.491 8.120 3.074 533 2HG GLN 64 2HG GLN 64 -10.754 8.563 4.760 534 2HE2 GLN 64 2HE2 GLN 64 -12.260 8.815 1.872 535 1HE2 GLN 64 1HE2 GLN 64 -13.039 10.311 2.061 536 H GLN 65 H GLN 65 -6.023 9.821 3.152 537 HA GLN 65 HA GLN 65 -5.907 12.631 2.648 538 1HB GLN 65 1HB GLN 65 -3.948 10.518 3.430 539 2HB GLN 65 2HB GLN 65 -3.326 12.040 2.795 540 1HG GLN 65 1HG GLN 65 -5.220 12.949 4.544 541 2HG GLN 65 2HG GLN 65 -4.682 11.484 5.364 542 2HE2 GLN 65 2HE2 GLN 65 -3.353 14.442 3.800 543 1HE2 GLN 65 1HE2 GLN 65 -1.992 14.540 4.809 544 H LEU 66 H LEU 66 -4.888 9.751 0.883 545 HA LEU 66 HA LEU 66 -3.967 11.435 -1.355 546 1HB LEU 66 1HB LEU 66 -3.723 8.448 -1.063 547 2HB LEU 66 2HB LEU 66 -2.901 9.473 -2.220 548 HG LEU 66 HG LEU 66 -2.452 9.582 0.772 549 1HD1 LEU 66 1HD1 LEU 66 -1.763 7.418 -0.350 550 2HD1 LEU 66 2HD1 LEU 66 -0.676 8.369 -1.362 551 3HD1 LEU 66 3HD1 LEU 66 -0.437 8.318 0.385 552 1HD2 LEU 66 1HD2 LEU 66 -1.956 11.533 -1.025 553 2HD2 LEU 66 2HD2 LEU 66 -0.898 11.223 0.351 554 3HD2 LEU 66 3HD2 LEU 66 -0.492 10.575 -1.238 555 HA PRO 67 HA PRO 67 -7.658 10.395 -3.541 556 1HB PRO 67 1HB PRO 67 -6.837 10.845 -6.117 557 2HB PRO 67 2HB PRO 67 -7.209 12.133 -4.959 558 1HG PRO 67 1HG PRO 67 -4.574 11.180 -5.931 559 2HG PRO 67 2HG PRO 67 -5.049 12.782 -5.349 560 1HD PRO 67 1HD PRO 67 -3.615 10.843 -3.878 561 2HD PRO 67 2HD PRO 67 -4.392 12.298 -3.212 562 H VAL 68 H VAL 68 -5.428 9.349 -6.095 563 HA VAL 68 HA VAL 68 -5.197 6.655 -5.521 564 HB VAL 68 HB VAL 68 -7.889 7.181 -5.985 565 1HG1 VAL 68 1HG1 VAL 68 -6.755 5.962 -8.516 566 2HG1 VAL 68 2HG1 VAL 68 -8.465 6.032 -8.091 567 3HG1 VAL 68 3HG1 VAL 68 -7.570 7.521 -8.391 568 1HG2 VAL 68 1HG2 VAL 68 -6.597 5.183 -4.969 569 2HG2 VAL 68 2HG2 VAL 68 -8.153 4.865 -5.736 570 3HG2 VAL 68 3HG2 VAL 68 -6.656 4.507 -6.598 571 H THR 69 H THR 69 -3.914 5.662 -7.007 572 HA THR 69 HA THR 69 -3.061 7.326 -9.268 573 HB THR 69 HB THR 69 -1.262 6.567 -7.839 574 HG1 THR 69 HG1 THR 69 -0.114 5.302 -9.421 575 1HG2 THR 69 1HG2 THR 69 -2.749 4.007 -8.042 576 2HG2 THR 69 2HG2 THR 69 -0.991 3.883 -8.032 577 3HG2 THR 69 3HG2 THR 69 -1.826 4.670 -6.693 578 H ALA 70 H ALA 70 -2.900 6.512 -11.376 579 HA ALA 70 HA ALA 70 -5.005 4.751 -12.159 580 1HB ALA 70 1HB ALA 70 -3.755 6.687 -13.476 581 2HB ALA 70 2HB ALA 70 -2.741 5.348 -14.012 582 3HB ALA 70 3HB ALA 70 -4.475 5.322 -14.329 583 H ARG 71 H ARG 71 -4.113 3.113 -14.066 584 HA ARG 71 HA ARG 71 -2.471 1.173 -12.563 585 1HB ARG 71 1HB ARG 71 -4.322 0.702 -14.915 586 2HB ARG 71 2HB ARG 71 -3.473 -0.539 -13.992 587 1HG ARG 71 1HG ARG 71 -4.879 -0.357 -12.187 588 2HG ARG 71 2HG ARG 71 -5.140 1.369 -12.433 589 1HD ARG 71 1HD ARG 71 -6.197 -0.521 -14.492 590 2HD ARG 71 2HD ARG 71 -7.055 -0.404 -12.960 591 HE ARG 71 HE ARG 71 -6.488 2.170 -14.137 592 1HH1 ARG 71 1HH1 ARG 71 -8.700 -0.544 -14.112 593 2HH1 ARG 71 2HH1 ARG 71 -10.034 0.395 -14.688 594 1HH2 ARG 71 1HH2 ARG 71 -8.253 3.355 -14.886 595 2HH2 ARG 71 2HH2 ARG 71 -9.785 2.583 -15.123 No H/Q in entry = 595 Start of MODEL 26 1 H1 LEU 1 H1 LEU 1 9.728 -5.877 -11.304 2 H2 LEU 1 H2 LEU 1 10.071 -7.323 -10.481 3 H3 LEU 1 H3 LEU 1 9.765 -5.897 -9.610 4 HA LEU 1 HA LEU 1 11.802 -4.977 -10.082 5 1HB LEU 1 1HB LEU 1 11.906 -7.942 -9.715 6 2HB LEU 1 2HB LEU 1 13.415 -7.102 -10.074 7 HG LEU 1 HG LEU 1 12.526 -5.442 -8.193 8 1HD1 LEU 1 1HD1 LEU 1 11.041 -8.027 -7.775 9 2HD1 LEU 1 2HD1 LEU 1 11.513 -7.042 -6.390 10 3HD1 LEU 1 3HD1 LEU 1 10.448 -6.373 -7.627 11 1HD2 LEU 1 1HD2 LEU 1 14.595 -7.012 -8.288 12 2HD2 LEU 1 2HD2 LEU 1 14.022 -6.499 -6.702 13 3HD2 LEU 1 3HD2 LEU 1 13.625 -8.108 -7.304 14 H GLY 2 H GLY 2 11.004 -7.584 -12.331 15 1HA GLY 2 1HA GLY 2 12.562 -8.021 -14.245 16 2HA GLY 2 2HA GLY 2 12.716 -6.270 -14.361 17 H ALA 3 H ALA 3 11.734 -8.276 -16.315 18 HA ALA 3 HA ALA 3 9.276 -6.871 -17.048 19 1HB ALA 3 1HB ALA 3 10.912 -8.918 -18.568 20 2HB ALA 3 2HB ALA 3 9.523 -8.039 -19.208 21 3HB ALA 3 3HB ALA 3 10.994 -7.169 -18.774 22 H SER 4 H SER 4 7.329 -7.924 -17.540 23 HA SER 4 HA SER 4 6.881 -10.702 -17.322 24 1HB SER 4 1HB SER 4 7.408 -9.856 -14.858 25 2HB SER 4 2HB SER 4 5.718 -9.362 -14.921 26 HG SER 4 HG SER 4 5.883 -11.489 -14.180 27 H TRP 5 H TRP 5 5.216 -10.901 -18.651 28 HA TRP 5 HA TRP 5 2.956 -9.014 -18.381 29 1HB TRP 5 1HB TRP 5 2.641 -9.188 -20.849 30 2HB TRP 5 2HB TRP 5 4.142 -8.386 -20.393 31 HD1 TRP 5 HD1 TRP 5 6.396 -9.989 -20.434 32 HE1 TRP 5 HE1 TRP 5 6.993 -11.895 -22.066 33 HE3 TRP 5 HE3 TRP 5 1.768 -11.010 -22.307 34 HZ2 TRP 5 HZ2 TRP 5 5.671 -13.626 -23.927 35 HZ3 TRP 5 HZ3 TRP 5 1.458 -12.788 -24.009 36 HH2 TRP 5 HH2 TRP 5 3.403 -14.097 -24.821 37 H HIS 6 H HIS 6 2.134 -10.733 -16.982 38 HA HIS 6 HA HIS 6 0.236 -12.354 -18.295 39 1HB HIS 6 1HB HIS 6 2.589 -13.563 -18.624 40 2HB HIS 6 2HB HIS 6 2.238 -14.143 -16.996 41 HD1 HIS 6 HD1 HIS 6 1.256 -16.425 -17.220 42 HD2 HIS 6 HD2 HIS 6 -0.235 -13.824 -20.118 43 HE1 HIS 6 HE1 HIS 6 -0.492 -17.721 -18.516 44 H ARG 7 H ARG 7 -0.741 -13.993 -16.705 45 HA ARG 7 HA ARG 7 -1.790 -14.364 -14.692 46 1HB ARG 7 1HB ARG 7 0.791 -14.535 -14.088 47 2HB ARG 7 2HB ARG 7 0.432 -13.066 -13.179 48 1HG ARG 7 1HG ARG 7 -1.214 -14.156 -11.856 49 2HG ARG 7 2HG ARG 7 -1.282 -15.542 -12.945 50 1HD ARG 7 1HD ARG 7 0.088 -16.452 -11.348 51 2HD ARG 7 2HD ARG 7 1.322 -15.652 -12.315 52 HE ARG 7 HE ARG 7 1.661 -14.164 -10.563 53 1HH1 ARG 7 1HH1 ARG 7 -1.352 -15.881 -10.084 54 2HH1 ARG 7 2HH1 ARG 7 -1.586 -15.253 -8.489 55 1HH2 ARG 7 1HH2 ARG 7 1.316 -13.370 -8.481 56 2HH2 ARG 7 2HH2 ARG 7 -0.090 -13.844 -7.588 57 HA PRO 8 HA PRO 8 -3.132 -9.993 -14.317 58 1HB PRO 8 1HB PRO 8 -5.790 -10.476 -14.715 59 2HB PRO 8 2HB PRO 8 -4.630 -10.225 -16.028 60 1HG PRO 8 1HG PRO 8 -5.934 -12.723 -15.130 61 2HG PRO 8 2HG PRO 8 -5.278 -12.301 -16.718 62 1HD PRO 8 1HD PRO 8 -4.037 -13.937 -14.749 63 2HD PRO 8 2HD PRO 8 -3.295 -13.324 -16.245 64 H ASP 9 H ASP 9 -4.700 -8.962 -12.805 65 HA ASP 9 HA ASP 9 -5.574 -8.676 -10.697 66 1HB ASP 9 1HB ASP 9 -6.215 -11.618 -11.018 67 2HB ASP 9 2HB ASP 9 -6.827 -10.594 -9.720 68 H LYS 10 H LYS 10 -3.447 -8.250 -9.896 69 HA LYS 10 HA LYS 10 -1.987 -10.443 -8.641 70 1HB LYS 10 1HB LYS 10 -0.809 -8.579 -9.834 71 2HB LYS 10 2HB LYS 10 -1.369 -7.482 -8.572 72 1HG LYS 10 1HG LYS 10 -0.312 -9.422 -7.023 73 2HG LYS 10 2HG LYS 10 0.706 -9.610 -8.451 74 1HD LYS 10 1HD LYS 10 1.245 -7.198 -8.382 75 2HD LYS 10 2HD LYS 10 0.245 -7.022 -6.939 76 1HE LYS 10 1HE LYS 10 2.375 -9.117 -6.909 77 2HE LYS 10 2HE LYS 10 2.873 -7.432 -6.755 78 1HZ LYS 10 1HZ LYS 10 1.036 -7.306 -5.003 79 2HZ LYS 10 2HZ LYS 10 1.105 -9.004 -4.991 80 3HZ LYS 10 3HZ LYS 10 2.480 -8.092 -4.584 81 H CYS 11 H CYS 11 -3.123 -11.150 -6.903 82 HA CYS 11 HA CYS 11 -4.355 -9.352 -5.012 83 1HB CYS 11 1HB CYS 11 -3.756 -12.297 -4.646 84 2HB CYS 11 2HB CYS 11 -4.940 -11.332 -3.769 85 H CYS 12 H CYS 12 -3.748 -10.292 -2.557 86 HA CYS 12 HA CYS 12 -0.829 -10.140 -2.250 87 1HB CYS 12 1HB CYS 12 -2.156 -7.842 -2.014 88 2HB CYS 12 2HB CYS 12 -2.471 -8.475 -0.399 89 H LEU 13 H LEU 13 -0.088 -10.795 -0.138 90 HA LEU 13 HA LEU 13 -2.074 -12.352 1.405 91 1HB LEU 13 1HB LEU 13 0.557 -13.220 0.290 92 2HB LEU 13 2HB LEU 13 -0.022 -13.923 1.784 93 HG LEU 13 HG LEU 13 -0.605 -15.372 -0.063 94 1HD1 LEU 13 1HD1 LEU 13 -2.264 -14.877 1.848 95 2HD1 LEU 13 2HD1 LEU 13 -3.150 -13.916 0.664 96 3HD1 LEU 13 3HD1 LEU 13 -2.915 -15.644 0.400 97 1HD2 LEU 13 1HD2 LEU 13 -0.721 -13.141 -1.587 98 2HD2 LEU 13 2HD2 LEU 13 -1.493 -14.655 -2.057 99 3HD2 LEU 13 3HD2 LEU 13 -2.444 -13.381 -1.295 100 H GLY 14 H GLY 14 -0.363 -9.714 1.669 101 1HA GLY 14 1HA GLY 14 1.546 -9.728 3.568 102 2HA GLY 14 2HA GLY 14 0.096 -10.051 4.516 103 H TYR 15 H TYR 15 1.412 -7.825 5.160 104 HA TYR 15 HA TYR 15 0.408 -5.539 3.670 105 1HB TYR 15 1HB TYR 15 -0.570 -6.136 6.474 106 2HB TYR 15 2HB TYR 15 -0.783 -4.595 5.644 107 HD1 TYR 15 HD1 TYR 15 -1.860 -4.720 3.260 108 HD2 TYR 15 HD2 TYR 15 -2.197 -7.806 6.220 109 HE1 TYR 15 HE1 TYR 15 -3.865 -5.596 2.107 110 HE2 TYR 15 HE2 TYR 15 -4.207 -8.692 5.066 111 HH TYR 15 HH TYR 15 -5.891 -6.963 2.727 112 H GLN 16 H GLN 16 0.998 -3.462 4.877 113 HA GLN 16 HA GLN 16 3.771 -3.409 5.331 114 1HB GLN 16 1HB GLN 16 2.427 -1.425 4.651 115 2HB GLN 16 2HB GLN 16 1.721 -1.386 6.259 116 1HG GLN 16 1HG GLN 16 3.575 0.209 6.125 117 2HG GLN 16 2HG GLN 16 3.985 -1.098 7.235 118 2HE2 GLN 16 2HE2 GLN 16 5.494 -2.788 6.416 119 1HE2 GLN 16 1HE2 GLN 16 6.550 -2.427 5.137 120 H LYS 17 H LYS 17 1.051 -3.375 7.597 121 HA LYS 17 HA LYS 17 0.925 -3.814 9.851 122 1HB LYS 17 1HB LYS 17 2.274 -5.872 8.942 123 2HB LYS 17 2HB LYS 17 3.628 -5.108 9.775 124 1HG LYS 17 1HG LYS 17 2.336 -5.068 11.869 125 2HG LYS 17 2HG LYS 17 0.965 -5.811 11.044 126 1HD LYS 17 1HD LYS 17 2.335 -7.794 10.534 127 2HD LYS 17 2HD LYS 17 3.715 -7.055 11.345 128 1HE LYS 17 1HE LYS 17 2.666 -8.570 12.911 129 2HE LYS 17 2HE LYS 17 2.317 -6.923 13.438 130 1HZ LYS 17 1HZ LYS 17 0.472 -8.426 11.682 131 2HZ LYS 17 2HZ LYS 17 0.392 -8.545 13.376 132 3HZ LYS 17 3HZ LYS 17 0.150 -7.046 12.614 133 H ARG 18 H ARG 18 2.496 -1.441 8.728 134 HA ARG 18 HA ARG 18 3.422 -0.472 11.281 135 1HB ARG 18 1HB ARG 18 5.350 -1.082 9.052 136 2HB ARG 18 2HB ARG 18 5.675 0.218 10.200 137 1HG ARG 18 1HG ARG 18 5.142 -1.578 12.016 138 2HG ARG 18 2HG ARG 18 5.434 -2.737 10.719 139 1HD ARG 18 1HD ARG 18 7.654 -1.723 10.323 140 2HD ARG 18 2HD ARG 18 7.364 -0.588 11.637 141 HE ARG 18 HE ARG 18 7.865 -2.282 13.142 142 1HH1 ARG 18 1HH1 ARG 18 7.236 -3.665 9.988 143 2HH1 ARG 18 2HH1 ARG 18 7.728 -5.254 10.462 144 1HH2 ARG 18 1HH2 ARG 18 8.498 -4.369 13.718 145 2HH2 ARG 18 2HH2 ARG 18 8.436 -5.651 12.554 146 HA PRO 19 HA PRO 19 1.982 3.121 9.051 147 1HB PRO 19 1HB PRO 19 2.328 4.966 11.034 148 2HB PRO 19 2HB PRO 19 1.007 3.788 11.003 149 1HG PRO 19 1HG PRO 19 3.399 3.865 12.725 150 2HG PRO 19 2HG PRO 19 1.845 3.063 12.990 151 1HD PRO 19 1HD PRO 19 4.292 1.852 12.126 152 2HD PRO 19 2HD PRO 19 2.697 1.077 12.277 153 H LEU 20 H LEU 20 3.024 4.251 7.537 154 HA LEU 20 HA LEU 20 5.768 5.206 8.096 155 1HB LEU 20 1HB LEU 20 4.815 5.304 5.313 156 2HB LEU 20 2HB LEU 20 6.352 4.776 5.956 157 HG LEU 20 HG LEU 20 3.802 3.149 5.801 158 1HD1 LEU 20 1HD1 LEU 20 5.162 3.552 3.691 159 2HD1 LEU 20 2HD1 LEU 20 6.489 2.699 4.479 160 3HD1 LEU 20 3HD1 LEU 20 4.975 1.859 4.149 161 1HD2 LEU 20 1HD2 LEU 20 5.548 2.873 7.804 162 2HD2 LEU 20 2HD2 LEU 20 4.826 1.471 7.019 163 3HD2 LEU 20 3HD2 LEU 20 6.450 1.992 6.573 164 HA PRO 21 HA PRO 21 4.444 9.381 7.504 165 1HB PRO 21 1HB PRO 21 6.427 10.511 5.990 166 2HB PRO 21 2HB PRO 21 6.620 10.054 7.692 167 1HG PRO 21 1HG PRO 21 7.710 8.759 5.271 168 2HG PRO 21 2HG PRO 21 8.296 8.704 6.938 169 1HD PRO 21 1HD PRO 21 6.801 6.685 5.584 170 2HD PRO 21 2HD PRO 21 7.234 6.719 7.309 171 H GLN 22 H GLN 22 2.920 10.360 6.310 172 HA GLN 22 HA GLN 22 2.129 9.462 3.757 173 1HB GLN 22 1HB GLN 22 0.658 10.679 5.387 174 2HB GLN 22 2HB GLN 22 1.520 12.164 4.980 175 1HG GLN 22 1HG GLN 22 0.538 10.602 2.662 176 2HG GLN 22 2HG GLN 22 -0.718 11.311 3.677 177 2HE2 GLN 22 2HE2 GLN 22 -1.180 12.814 1.836 178 1HE2 GLN 22 1HE2 GLN 22 -0.178 14.161 1.588 179 H VAL 23 H VAL 23 4.313 11.983 4.804 180 HA VAL 23 HA VAL 23 4.526 13.432 2.402 181 HB VAL 23 HB VAL 23 5.413 14.347 4.458 182 1HG1 VAL 23 1HG1 VAL 23 7.102 11.848 4.454 183 2HG1 VAL 23 2HG1 VAL 23 7.550 13.269 5.395 184 3HG1 VAL 23 3HG1 VAL 23 6.026 12.443 5.718 185 1HG2 VAL 23 1HG2 VAL 23 6.640 14.744 2.204 186 2HG2 VAL 23 2HG2 VAL 23 7.471 15.196 3.692 187 3HG2 VAL 23 3HG2 VAL 23 7.889 13.692 2.870 188 H LEU 24 H LEU 24 5.987 10.446 3.487 189 HA LEU 24 HA LEU 24 7.915 10.278 1.362 190 1HB LEU 24 1HB LEU 24 8.506 9.041 3.241 191 2HB LEU 24 2HB LEU 24 6.880 8.466 3.503 192 HG LEU 24 HG LEU 24 8.680 6.774 2.780 193 1HD1 LEU 24 1HD1 LEU 24 6.009 6.743 2.628 194 2HD1 LEU 24 2HD1 LEU 24 6.365 6.648 0.902 195 3HD1 LEU 24 3HD1 LEU 24 6.992 5.419 2.000 196 1HD2 LEU 24 1HD2 LEU 24 9.056 8.559 0.703 197 2HD2 LEU 24 2HD2 LEU 24 9.578 6.875 0.692 198 3HD2 LEU 24 3HD2 LEU 24 8.041 7.324 -0.045 199 H LEU 25 H LEU 25 4.753 8.862 2.027 200 HA LEU 25 HA LEU 25 4.585 7.320 -0.350 201 1HB LEU 25 1HB LEU 25 3.163 7.408 1.936 202 2HB LEU 25 2HB LEU 25 2.092 8.312 0.891 203 HG LEU 25 HG LEU 25 1.813 6.425 -0.574 204 1HD1 LEU 25 1HD1 LEU 25 4.257 5.485 0.816 205 2HD1 LEU 25 2HD1 LEU 25 3.059 4.239 0.462 206 3HD1 LEU 25 3HD1 LEU 25 3.731 5.213 -0.845 207 1HD2 LEU 25 1HD2 LEU 25 1.563 6.002 2.377 208 2HD2 LEU 25 2HD2 LEU 25 0.300 6.114 1.150 209 3HD2 LEU 25 3HD2 LEU 25 1.242 4.632 1.314 210 H SER 26 H SER 26 2.635 7.681 -1.873 211 HA SER 26 HA SER 26 2.411 10.528 -2.618 212 1HB SER 26 1HB SER 26 4.126 8.982 -3.973 213 2HB SER 26 2HB SER 26 2.647 8.546 -4.825 214 HG SER 26 HG SER 26 2.772 10.404 -5.779 215 H SER 27 H SER 27 1.335 7.365 -3.891 216 HA SER 27 HA SER 27 -1.463 8.159 -3.438 217 1HB SER 27 1HB SER 27 -2.068 7.471 -5.745 218 2HB SER 27 2HB SER 27 -1.010 8.878 -5.725 219 HG SER 27 HG SER 27 0.619 7.682 -6.462 220 H TRP 28 H TRP 28 -2.838 6.162 -4.464 221 HA TRP 28 HA TRP 28 -1.555 3.609 -3.800 222 1HB TRP 28 1HB TRP 28 -3.479 2.989 -2.319 223 2HB TRP 28 2HB TRP 28 -2.456 4.261 -1.654 224 HD1 TRP 28 HD1 TRP 28 -3.401 6.768 -1.715 225 HE1 TRP 28 HE1 TRP 28 -5.814 7.673 -1.803 226 HE3 TRP 28 HE3 TRP 28 -5.879 2.553 -3.212 227 HZ2 TRP 28 HZ2 TRP 28 -8.441 6.731 -2.427 228 HZ3 TRP 28 HZ3 TRP 28 -8.329 2.591 -3.548 229 HH2 TRP 28 HH2 TRP 28 -9.614 4.673 -3.157 230 H TYR 29 H TYR 29 -2.541 1.816 -4.736 231 HA TYR 29 HA TYR 29 -4.855 2.400 -6.473 232 1HB TYR 29 1HB TYR 29 -3.942 1.230 -8.302 233 2HB TYR 29 2HB TYR 29 -2.608 2.202 -7.700 234 HD1 TYR 29 HD1 TYR 29 -4.040 -1.210 -7.831 235 HD2 TYR 29 HD2 TYR 29 -0.629 1.168 -6.755 236 HE1 TYR 29 HE1 TYR 29 -2.680 -3.270 -7.589 237 HE2 TYR 29 HE2 TYR 29 0.729 -0.890 -6.512 238 HH TYR 29 HH TYR 29 -0.050 -3.551 -5.963 239 HA PRO 30 HA PRO 30 -6.490 -1.161 -4.381 240 1HB PRO 30 1HB PRO 30 -8.760 -1.496 -5.862 241 2HB PRO 30 2HB PRO 30 -8.550 -0.210 -4.663 242 1HG PRO 30 1HG PRO 30 -8.561 -0.040 -7.614 243 2HG PRO 30 2HG PRO 30 -8.931 1.204 -6.412 244 1HD PRO 30 1HD PRO 30 -6.503 0.914 -7.877 245 2HD PRO 30 2HD PRO 30 -6.812 2.036 -6.530 246 H THR 31 H THR 31 -6.730 -3.407 -4.586 247 HA THR 31 HA THR 31 -5.849 -4.531 -7.177 248 HB THR 31 HB THR 31 -4.253 -4.908 -5.333 249 HG1 THR 31 HG1 THR 31 -4.445 -6.513 -6.888 250 1HG2 THR 31 1HG2 THR 31 -6.713 -5.585 -3.905 251 2HG2 THR 31 2HG2 THR 31 -5.471 -6.825 -3.730 252 3HG2 THR 31 3HG2 THR 31 -5.125 -5.159 -3.267 253 H SER 32 H SER 32 -6.480 -7.151 -6.850 254 HA SER 32 HA SER 32 -9.221 -7.251 -7.490 255 1HB SER 32 1HB SER 32 -7.107 -9.272 -6.921 256 2HB SER 32 2HB SER 32 -8.784 -9.805 -6.869 257 HG SER 32 HG SER 32 -7.424 -8.518 -9.002 258 H GLN 33 H GLN 33 -10.908 -8.446 -6.348 259 HA GLN 33 HA GLN 33 -10.745 -7.985 -3.431 260 1HB GLN 33 1HB GLN 33 -12.532 -6.845 -5.019 261 2HB GLN 33 2HB GLN 33 -13.355 -8.394 -4.828 262 1HG GLN 33 1HG GLN 33 -12.984 -8.102 -2.306 263 2HG GLN 33 2HG GLN 33 -12.565 -6.428 -2.673 264 2HE2 GLN 33 2HE2 GLN 33 -15.012 -7.650 -1.269 265 1HE2 GLN 33 1HE2 GLN 33 -16.336 -6.984 -2.100 266 H LEU 34 H LEU 34 -11.494 -10.313 -5.935 267 HA LEU 34 HA LEU 34 -12.451 -12.297 -4.035 268 1HB LEU 34 1HB LEU 34 -11.865 -12.532 -6.987 269 2HB LEU 34 2HB LEU 34 -12.621 -13.765 -6.003 270 HG LEU 34 HG LEU 34 -14.364 -12.704 -7.225 271 1HD1 LEU 34 1HD1 LEU 34 -14.653 -13.021 -4.683 272 2HD1 LEU 34 2HD1 LEU 34 -14.454 -11.273 -4.567 273 3HD1 LEU 34 3HD1 LEU 34 -15.794 -11.949 -5.492 274 1HD2 LEU 34 1HD2 LEU 34 -12.801 -10.602 -7.553 275 2HD2 LEU 34 2HD2 LEU 34 -14.553 -10.415 -7.615 276 3HD2 LEU 34 3HD2 LEU 34 -13.672 -9.990 -6.147 277 H CYS 35 H CYS 35 -10.143 -11.758 -3.032 278 HA CYS 35 HA CYS 35 -8.345 -13.927 -3.941 279 1HB CYS 35 1HB CYS 35 -7.432 -11.305 -2.735 280 2HB CYS 35 2HB CYS 35 -6.412 -12.597 -3.367 281 H SER 36 H SER 36 -6.782 -14.553 -2.147 282 HA SER 36 HA SER 36 -8.246 -15.421 0.108 283 1HB SER 36 1HB SER 36 -6.070 -16.401 -0.875 284 2HB SER 36 2HB SER 36 -5.245 -15.170 0.076 285 HG SER 36 HG SER 36 -5.934 -17.459 0.944 286 H LYS 37 H LYS 37 -5.977 -12.763 -0.377 287 HA LYS 37 HA LYS 37 -7.062 -11.431 1.998 288 1HB LYS 37 1HB LYS 37 -4.169 -12.180 1.606 289 2HB LYS 37 2HB LYS 37 -4.630 -10.791 2.591 290 1HG LYS 37 1HG LYS 37 -5.867 -13.511 3.024 291 2HG LYS 37 2HG LYS 37 -4.355 -13.047 3.808 292 1HD LYS 37 1HD LYS 37 -6.750 -11.232 3.962 293 2HD LYS 37 2HD LYS 37 -6.608 -12.607 5.059 294 1HE LYS 37 1HE LYS 37 -4.611 -11.780 6.023 295 2HE LYS 37 2HE LYS 37 -4.339 -10.652 4.695 296 1HZ LYS 37 1HZ LYS 37 -6.609 -10.500 6.602 297 2HZ LYS 37 2HZ LYS 37 -5.192 -9.569 6.710 298 3HZ LYS 37 3HZ LYS 37 -6.234 -9.377 5.384 299 HA PRO 38 HA PRO 38 -6.309 -8.570 -1.543 300 1HB PRO 38 1HB PRO 38 -8.823 -7.509 -1.631 301 2HB PRO 38 2HB PRO 38 -8.347 -8.981 -2.489 302 1HG PRO 38 1HG PRO 38 -10.022 -8.678 -0.070 303 2HG PRO 38 2HG PRO 38 -10.000 -9.978 -1.271 304 1HD PRO 38 1HD PRO 38 -8.809 -10.031 1.314 305 2HD PRO 38 2HD PRO 38 -8.607 -11.238 0.023 306 H GLY 39 H GLY 39 -6.523 -6.182 -1.658 307 1HA GLY 39 1HA GLY 39 -5.693 -4.918 0.732 308 2HA GLY 39 2HA GLY 39 -7.386 -4.531 0.432 309 H VAL 40 H VAL 40 -4.783 -2.945 0.296 310 HA VAL 40 HA VAL 40 -4.867 -2.113 -2.528 311 HB VAL 40 HB VAL 40 -5.009 -0.137 -0.242 312 1HG1 VAL 40 1HG1 VAL 40 -4.003 0.269 -2.697 313 2HG1 VAL 40 2HG1 VAL 40 -5.712 0.519 -3.050 314 3HG1 VAL 40 3HG1 VAL 40 -4.910 1.503 -1.826 315 1HG2 VAL 40 1HG2 VAL 40 -7.098 -1.560 -0.606 316 2HG2 VAL 40 2HG2 VAL 40 -7.317 0.181 -0.767 317 3HG2 VAL 40 3HG2 VAL 40 -7.197 -0.829 -2.207 318 H ILE 41 H ILE 41 -2.963 -1.471 -3.347 319 HA ILE 41 HA ILE 41 -0.624 -1.658 -1.575 320 HB ILE 41 HB ILE 41 -0.946 -1.871 -4.575 321 1HG1 ILE 41 1HG1 ILE 41 0.175 -4.122 -4.003 322 2HG1 ILE 41 2HG1 ILE 41 -0.228 -3.744 -2.327 323 1HG2 ILE 41 1HG2 ILE 41 1.517 -1.481 -2.905 324 2HG2 ILE 41 2HG2 ILE 41 1.601 -2.545 -4.309 325 3HG2 ILE 41 3HG2 ILE 41 1.149 -0.851 -4.511 326 1HD1 ILE 41 1HD1 ILE 41 -2.379 -3.486 -4.392 327 2HD1 ILE 41 2HD1 ILE 41 -1.923 -5.103 -3.857 328 3HD1 ILE 41 3HD1 ILE 41 -2.509 -3.919 -2.689 329 H PHE 42 H PHE 42 0.614 0.059 -1.139 330 HA PHE 42 HA PHE 42 -0.210 2.657 -2.224 331 1HB PHE 42 1HB PHE 42 1.482 1.824 0.130 332 2HB PHE 42 2HB PHE 42 1.446 3.491 -0.445 333 HD1 PHE 42 HD1 PHE 42 -0.553 0.759 1.032 334 HD2 PHE 42 HD2 PHE 42 -0.517 4.874 -0.188 335 HE1 PHE 42 HE1 PHE 42 -2.679 1.138 2.250 336 HE2 PHE 42 HE2 PHE 42 -2.644 5.255 1.026 337 HZ PHE 42 HZ PHE 42 -3.723 3.388 2.250 338 H LEU 43 H LEU 43 1.062 3.909 -3.479 339 HA LEU 43 HA LEU 43 3.643 2.750 -4.336 340 1HB LEU 43 1HB LEU 43 2.152 4.901 -5.805 341 2HB LEU 43 2HB LEU 43 3.392 3.829 -6.411 342 HG LEU 43 HG LEU 43 1.367 3.111 -7.401 343 1HD1 LEU 43 1HD1 LEU 43 2.845 1.415 -5.860 344 2HD1 LEU 43 2HD1 LEU 43 1.238 1.160 -5.180 345 3HD1 LEU 43 3HD1 LEU 43 1.521 0.896 -6.901 346 1HD2 LEU 43 1HD2 LEU 43 0.076 4.352 -5.410 347 2HD2 LEU 43 2HD2 LEU 43 -0.707 3.115 -6.392 348 3HD2 LEU 43 3HD2 LEU 43 -0.055 2.700 -4.807 349 H THR 44 H THR 44 5.153 3.639 -2.998 350 HA THR 44 HA THR 44 5.006 6.269 -1.950 351 HB THR 44 HB THR 44 7.326 5.933 -1.285 352 HG1 THR 44 HG1 THR 44 7.160 3.723 -3.051 353 1HG2 THR 44 1HG2 THR 44 5.359 3.697 -1.012 354 2HG2 THR 44 2HG2 THR 44 6.998 3.444 -0.413 355 3HG2 THR 44 3HG2 THR 44 6.020 4.765 0.225 356 H LYS 45 H LYS 45 6.639 7.984 -2.415 357 HA LYS 45 HA LYS 45 6.449 8.875 -5.069 358 1HB LYS 45 1HB LYS 45 8.382 9.677 -2.883 359 2HB LYS 45 2HB LYS 45 8.201 10.538 -4.412 360 1HG LYS 45 1HG LYS 45 6.164 11.415 -3.836 361 2HG LYS 45 2HG LYS 45 5.694 9.987 -2.913 362 1HD LYS 45 1HD LYS 45 6.039 11.466 -1.171 363 2HD LYS 45 2HD LYS 45 7.670 10.811 -1.324 364 1HE LYS 45 1HE LYS 45 8.097 13.103 -1.351 365 2HE LYS 45 2HE LYS 45 7.973 12.755 -3.075 366 1HZ LYS 45 1HZ LYS 45 5.521 13.290 -2.789 367 2HZ LYS 45 2HZ LYS 45 5.956 13.983 -1.300 368 3HZ LYS 45 3HZ LYS 45 6.608 14.596 -2.740 369 H ARG 46 H ARG 46 9.321 7.651 -3.345 370 HA ARG 46 HA ARG 46 10.380 6.717 -5.944 371 1HB ARG 46 1HB ARG 46 11.491 8.829 -5.130 372 2HB ARG 46 2HB ARG 46 12.060 7.902 -3.741 373 1HG ARG 46 1HG ARG 46 13.429 6.521 -5.059 374 2HG ARG 46 2HG ARG 46 12.544 6.899 -6.538 375 1HD ARG 46 1HD ARG 46 13.522 9.033 -6.722 376 2HD ARG 46 2HD ARG 46 14.021 9.049 -5.034 377 HE ARG 46 HE ARG 46 15.943 7.900 -5.645 378 1HH1 ARG 46 1HH1 ARG 46 13.588 7.702 -8.228 379 2HH1 ARG 46 2HH1 ARG 46 14.696 6.967 -9.335 380 1HH2 ARG 46 1HH2 ARG 46 17.355 6.941 -7.119 381 2HH2 ARG 46 2HH2 ARG 46 16.810 6.539 -8.713 382 H GLY 47 H GLY 47 9.312 5.720 -2.986 383 1HA GLY 47 1HA GLY 47 9.816 3.969 -1.563 384 2HA GLY 47 2HA GLY 47 11.412 3.876 -2.298 385 H ARG 48 H ARG 48 8.418 2.395 -2.001 386 HA ARG 48 HA ARG 48 8.486 0.989 -4.554 387 1HB ARG 48 1HB ARG 48 9.603 -0.141 -2.071 388 2HB ARG 48 2HB ARG 48 8.442 -1.190 -2.882 389 1HG ARG 48 1HG ARG 48 9.705 -0.937 -4.998 390 2HG ARG 48 2HG ARG 48 10.879 0.081 -4.165 391 1HD ARG 48 1HD ARG 48 11.740 -2.188 -4.287 392 2HD ARG 48 2HD ARG 48 11.368 -1.806 -2.614 393 HE ARG 48 HE ARG 48 9.966 -3.713 -4.330 394 1HH1 ARG 48 1HH1 ARG 48 9.993 -1.940 -1.302 395 2HH1 ARG 48 2HH1 ARG 48 8.881 -3.017 -0.540 396 1HH2 ARG 48 1HH2 ARG 48 8.520 -5.081 -3.287 397 2HH2 ARG 48 2HH2 ARG 48 8.053 -4.777 -1.648 398 H GLN 49 H GLN 49 6.898 -1.109 -4.090 399 HA GLN 49 HA GLN 49 4.352 0.141 -3.414 400 1HB GLN 49 1HB GLN 49 5.200 -2.356 -4.820 401 2HB GLN 49 2HB GLN 49 3.592 -2.301 -4.100 402 1HG GLN 49 1HG GLN 49 2.835 -0.716 -5.573 403 2HG GLN 49 2HG GLN 49 4.407 0.074 -5.692 404 2HE2 GLN 49 2HE2 GLN 49 6.102 -1.894 -6.573 405 1HE2 GLN 49 1HE2 GLN 49 5.573 -2.532 -8.055 406 H VAL 50 H VAL 50 2.941 -0.621 -1.807 407 HA VAL 50 HA VAL 50 3.940 -2.701 0.015 408 HB VAL 50 HB VAL 50 3.078 0.028 0.996 409 1HG1 VAL 50 1HG1 VAL 50 2.721 -2.122 2.410 410 2HG1 VAL 50 2HG1 VAL 50 4.477 -2.137 2.561 411 3HG1 VAL 50 3HG1 VAL 50 3.552 -0.763 3.164 412 1HG2 VAL 50 1HG2 VAL 50 5.829 -1.229 0.798 413 2HG2 VAL 50 2HG2 VAL 50 5.259 0.183 -0.092 414 3HG2 VAL 50 3HG2 VAL 50 5.468 0.267 1.657 415 H CYS 51 H CYS 51 2.360 -4.039 0.553 416 HA CYS 51 HA CYS 51 -0.381 -3.512 -0.169 417 1HB CYS 51 1HB CYS 51 1.126 -5.783 1.054 418 2HB CYS 51 2HB CYS 51 -0.615 -5.713 1.320 419 H ALA 52 H ALA 52 -2.009 -2.772 1.137 420 HA ALA 52 HA ALA 52 -1.732 -2.869 4.026 421 1HB ALA 52 1HB ALA 52 -0.586 -0.875 3.971 422 2HB ALA 52 2HB ALA 52 -2.243 -0.274 4.007 423 3HB ALA 52 3HB ALA 52 -1.364 -0.346 2.480 424 H ASP 53 H ASP 53 -3.651 -3.223 4.879 425 HA ASP 53 HA ASP 53 -6.042 -3.011 3.263 426 1HB ASP 53 1HB ASP 53 -5.312 -4.173 5.889 427 2HB ASP 53 2HB ASP 53 -6.967 -3.583 5.760 428 H LYS 54 H LYS 54 -7.246 -1.243 3.092 429 HA LYS 54 HA LYS 54 -6.726 1.176 4.396 430 1HB LYS 54 1HB LYS 54 -8.998 1.864 3.588 431 2HB LYS 54 2HB LYS 54 -7.978 1.162 2.332 432 1HG LYS 54 1HG LYS 54 -9.209 -0.802 2.234 433 2HG LYS 54 2HG LYS 54 -9.772 -0.654 3.899 434 1HD LYS 54 1HD LYS 54 -10.960 1.523 2.942 435 2HD LYS 54 2HD LYS 54 -10.830 0.643 1.419 436 1HE LYS 54 1HE LYS 54 -12.304 -0.991 2.077 437 2HE LYS 54 2HE LYS 54 -11.816 -0.895 3.769 438 1HZ LYS 54 1HZ LYS 54 -13.241 1.354 2.511 439 2HZ LYS 54 2HZ LYS 54 -14.109 0.009 3.070 440 3HZ LYS 54 3HZ LYS 54 -13.162 0.917 4.151 441 H SER 55 H SER 55 -8.628 -1.560 5.412 442 HA SER 55 HA SER 55 -10.348 -0.368 7.268 443 1HB SER 55 1HB SER 55 -9.859 -2.700 8.494 444 2HB SER 55 2HB SER 55 -10.867 -2.582 7.056 445 HG SER 55 HG SER 55 -8.485 -3.807 7.399 446 H LYS 56 H LYS 56 -6.912 -0.888 7.393 447 HA LYS 56 HA LYS 56 -6.461 -0.884 10.160 448 1HB LYS 56 1HB LYS 56 -4.869 -0.260 7.741 449 2HB LYS 56 2HB LYS 56 -4.285 0.457 9.242 450 1HG LYS 56 1HG LYS 56 -5.100 -2.387 9.430 451 2HG LYS 56 2HG LYS 56 -3.675 -2.074 8.440 452 1HD LYS 56 1HD LYS 56 -2.574 -2.151 10.436 453 2HD LYS 56 2HD LYS 56 -3.142 -0.490 10.594 454 1HE LYS 56 1HE LYS 56 -4.014 -1.274 12.559 455 2HE LYS 56 2HE LYS 56 -5.323 -1.814 11.509 456 1HZ LYS 56 1HZ LYS 56 -4.169 -3.945 11.273 457 2HZ LYS 56 2HZ LYS 56 -2.975 -3.420 12.360 458 3HZ LYS 56 3HZ LYS 56 -4.573 -3.619 12.891 459 H ASP 57 H ASP 57 -4.975 1.170 10.961 460 HA ASP 57 HA ASP 57 -6.920 3.363 11.072 461 1HB ASP 57 1HB ASP 57 -4.534 2.633 12.767 462 2HB ASP 57 2HB ASP 57 -5.360 4.184 12.922 463 H TRP 58 H TRP 58 -3.350 3.176 10.978 464 HA TRP 58 HA TRP 58 -3.041 5.809 10.004 465 1HB TRP 58 1HB TRP 58 -0.718 5.181 9.512 466 2HB TRP 58 2HB TRP 58 -1.204 4.634 11.112 467 HD1 TRP 58 HD1 TRP 58 -1.624 2.004 11.444 468 HE1 TRP 58 HE1 TRP 58 -0.714 -0.029 10.144 469 HE3 TRP 58 HE3 TRP 58 -0.052 4.317 7.177 470 HZ2 TRP 58 HZ2 TRP 58 0.523 -0.598 7.609 471 HZ3 TRP 58 HZ3 TRP 58 0.989 3.016 5.347 472 HH2 TRP 58 HH2 TRP 58 1.277 0.569 5.557 473 H VAL 59 H VAL 59 -3.618 2.767 8.404 474 HA VAL 59 HA VAL 59 -2.893 3.680 5.779 475 HB VAL 59 HB VAL 59 -4.654 1.351 6.582 476 1HG1 VAL 59 1HG1 VAL 59 -4.862 2.041 4.206 477 2HG1 VAL 59 2HG1 VAL 59 -3.110 1.928 4.034 478 3HG1 VAL 59 3HG1 VAL 59 -4.060 0.477 4.358 479 1HG2 VAL 59 1HG2 VAL 59 -1.670 1.634 6.154 480 2HG2 VAL 59 2HG2 VAL 59 -2.498 1.087 7.613 481 3HG2 VAL 59 3HG2 VAL 59 -2.493 0.075 6.167 482 H LYS 60 H LYS 60 -5.792 3.677 7.748 483 HA LYS 60 HA LYS 60 -7.655 4.235 5.682 484 1HB LYS 60 1HB LYS 60 -8.253 3.510 8.018 485 2HB LYS 60 2HB LYS 60 -7.826 5.131 8.569 486 1HG LYS 60 1HG LYS 60 -9.647 6.114 7.542 487 2HG LYS 60 2HG LYS 60 -9.716 4.898 6.266 488 1HD LYS 60 1HD LYS 60 -10.675 3.271 7.769 489 2HD LYS 60 2HD LYS 60 -10.413 4.326 9.159 490 1HE LYS 60 1HE LYS 60 -11.950 6.004 8.112 491 2HE LYS 60 2HE LYS 60 -12.289 4.837 6.832 492 1HZ LYS 60 1HZ LYS 60 -12.651 4.191 9.698 493 2HZ LYS 60 2HZ LYS 60 -13.886 4.887 8.768 494 3HZ LYS 60 3HZ LYS 60 -13.264 3.363 8.348 495 H LYS 61 H LYS 61 -5.770 6.315 7.852 496 HA LYS 61 HA LYS 61 -6.801 8.778 6.892 497 1HB LYS 61 1HB LYS 61 -5.218 8.161 8.970 498 2HB LYS 61 2HB LYS 61 -3.976 8.666 7.823 499 1HG LYS 61 1HG LYS 61 -4.490 10.726 8.723 500 2HG LYS 61 2HG LYS 61 -5.694 10.678 7.434 501 1HD LYS 61 1HD LYS 61 -7.441 10.345 8.885 502 2HD LYS 61 2HD LYS 61 -6.459 9.415 10.017 503 1HE LYS 61 1HE LYS 61 -7.131 11.642 10.929 504 2HE LYS 61 2HE LYS 61 -5.381 11.448 10.821 505 1HZ LYS 61 1HZ LYS 61 -6.945 12.685 8.639 506 2HZ LYS 61 2HZ LYS 61 -6.369 13.599 9.946 507 3HZ LYS 61 3HZ LYS 61 -5.274 12.786 8.932 508 H LEU 62 H LEU 62 -4.256 6.633 5.800 509 HA LEU 62 HA LEU 62 -2.956 8.390 4.001 510 1HB LEU 62 1HB LEU 62 -3.249 5.412 4.139 511 2HB LEU 62 2HB LEU 62 -2.466 6.166 2.772 512 HG LEU 62 HG LEU 62 -1.566 6.540 5.631 513 1HD1 LEU 62 1HD1 LEU 62 -1.031 4.436 3.582 514 2HD1 LEU 62 2HD1 LEU 62 0.336 5.004 4.540 515 3HD1 LEU 62 3HD1 LEU 62 -1.070 4.308 5.339 516 1HD2 LEU 62 1HD2 LEU 62 -0.531 7.309 2.905 517 2HD2 LEU 62 2HD2 LEU 62 -0.692 8.313 4.346 518 3HD2 LEU 62 3HD2 LEU 62 0.585 7.099 4.254 519 H MET 63 H MET 63 -5.407 5.884 3.443 520 HA MET 63 HA MET 63 -5.883 6.272 0.741 521 1HB MET 63 1HB MET 63 -7.903 5.597 2.890 522 2HB MET 63 2HB MET 63 -8.163 5.394 1.160 523 1HG MET 63 1HG MET 63 -5.928 4.074 2.728 524 2HG MET 63 2HG MET 63 -7.437 3.281 2.282 525 1HE MET 63 1HE MET 63 -8.031 2.327 0.463 526 2HE MET 63 2HE MET 63 -8.135 3.603 -0.758 527 3HE MET 63 3HE MET 63 -7.205 2.143 -1.082 528 H GLN 64 H GLN 64 -7.350 7.978 3.472 529 HA GLN 64 HA GLN 64 -8.968 9.672 1.787 530 1HB GLN 64 1HB GLN 64 -8.253 9.904 4.721 531 2HB GLN 64 2HB GLN 64 -9.451 10.894 3.887 532 1HG GLN 64 1HG GLN 64 -10.776 8.915 3.355 533 2HG GLN 64 2HG GLN 64 -9.549 7.869 4.068 534 2HE2 GLN 64 2HE2 GLN 64 -11.276 10.865 5.128 535 1HE2 GLN 64 1HE2 GLN 64 -11.669 10.261 6.664 536 H GLN 65 H GLN 65 -5.787 9.802 3.226 537 HA GLN 65 HA GLN 65 -5.396 12.622 2.890 538 1HB GLN 65 1HB GLN 65 -3.674 10.287 3.601 539 2HB GLN 65 2HB GLN 65 -2.896 11.779 3.078 540 1HG GLN 65 1HG GLN 65 -5.072 12.176 5.031 541 2HG GLN 65 2HG GLN 65 -3.702 11.262 5.654 542 2HE2 GLN 65 2HE2 GLN 65 -4.749 14.289 5.774 543 1HE2 GLN 65 1HE2 GLN 65 -3.299 15.157 5.606 544 H LEU 66 H LEU 66 -4.828 9.763 0.931 545 HA LEU 66 HA LEU 66 -3.604 11.451 -1.166 546 1HB LEU 66 1HB LEU 66 -3.518 8.486 -0.647 547 2HB LEU 66 2HB LEU 66 -3.037 9.180 -2.178 548 HG LEU 66 HG LEU 66 -1.219 10.385 -1.115 549 1HD1 LEU 66 1HD1 LEU 66 -2.470 9.331 1.427 550 2HD1 LEU 66 2HD1 LEU 66 -0.803 9.900 1.366 551 3HD1 LEU 66 3HD1 LEU 66 -2.126 11.007 1.000 552 1HD2 LEU 66 1HD2 LEU 66 -1.283 7.712 -1.508 553 2HD2 LEU 66 2HD2 LEU 66 0.145 8.550 -0.900 554 3HD2 LEU 66 3HD2 LEU 66 -0.948 7.740 0.223 555 HA PRO 67 HA PRO 67 -7.296 10.892 -3.511 556 1HB PRO 67 1HB PRO 67 -6.337 11.264 -6.052 557 2HB PRO 67 2HB PRO 67 -6.588 12.575 -4.890 558 1HG PRO 67 1HG PRO 67 -4.057 11.307 -5.782 559 2HG PRO 67 2HG PRO 67 -4.352 12.955 -5.205 560 1HD PRO 67 1HD PRO 67 -3.217 10.856 -3.699 561 2HD PRO 67 2HD PRO 67 -3.850 12.385 -3.045 562 H VAL 68 H VAL 68 -5.207 9.612 -6.068 563 HA VAL 68 HA VAL 68 -5.297 6.902 -5.474 564 HB VAL 68 HB VAL 68 -7.878 7.659 -5.879 565 1HG1 VAL 68 1HG1 VAL 68 -6.943 6.678 -8.588 566 2HG1 VAL 68 2HG1 VAL 68 -8.622 6.900 -8.095 567 3HG1 VAL 68 3HG1 VAL 68 -7.552 8.296 -8.235 568 1HG2 VAL 68 1HG2 VAL 68 -6.875 5.463 -5.117 569 2HG2 VAL 68 2HG2 VAL 68 -8.359 5.330 -6.059 570 3HG2 VAL 68 3HG2 VAL 68 -6.801 4.999 -6.816 571 H THR 69 H THR 69 -4.741 5.533 -7.351 572 HA THR 69 HA THR 69 -3.674 7.067 -9.627 573 HB THR 69 HB THR 69 -1.780 6.728 -8.148 574 HG1 THR 69 HG1 THR 69 -0.555 5.322 -9.559 575 1HG2 THR 69 1HG2 THR 69 -3.081 4.139 -7.746 576 2HG2 THR 69 2HG2 THR 69 -1.353 3.984 -8.067 577 3HG2 THR 69 3HG2 THR 69 -1.915 4.981 -6.725 578 H ALA 70 H ALA 70 -3.705 6.019 -11.578 579 HA ALA 70 HA ALA 70 -5.542 3.852 -11.868 580 1HB ALA 70 1HB ALA 70 -5.399 5.406 -13.677 581 2HB ALA 70 2HB ALA 70 -4.732 3.887 -14.273 582 3HB ALA 70 3HB ALA 70 -3.651 5.198 -13.803 583 H ARG 71 H ARG 71 -2.174 3.985 -13.018 584 HA ARG 71 HA ARG 71 -1.673 1.336 -11.857 585 1HB ARG 71 1HB ARG 71 -2.500 1.316 -14.378 586 2HB ARG 71 2HB ARG 71 -0.819 1.752 -14.688 587 1HG ARG 71 1HG ARG 71 -0.008 -0.266 -13.930 588 2HG ARG 71 2HG ARG 71 -1.320 -0.477 -12.771 589 1HD ARG 71 1HD ARG 71 -2.759 -0.613 -15.026 590 2HD ARG 71 2HD ARG 71 -1.218 -1.170 -15.668 591 HE ARG 71 HE ARG 71 -2.951 -2.604 -13.857 592 1HH1 ARG 71 1HH1 ARG 71 0.345 -2.202 -14.961 593 2HH1 ARG 71 2HH1 ARG 71 0.818 -3.798 -14.487 594 1HH2 ARG 71 1HH2 ARG 71 -2.294 -4.676 -13.256 595 2HH2 ARG 71 2HH2 ARG 71 -0.662 -5.188 -13.531 No H/Q in entry = 595 Start of MODEL 27 1 H1 LEU 1 H1 LEU 1 -7.221 -20.681 -27.601 2 H2 LEU 1 H2 LEU 1 -8.575 -21.641 -27.253 3 H3 LEU 1 H3 LEU 1 -8.498 -20.044 -26.679 4 HA LEU 1 HA LEU 1 -7.972 -21.294 -24.812 5 1HB LEU 1 1HB LEU 1 -6.600 -23.023 -26.841 6 2HB LEU 1 2HB LEU 1 -6.030 -23.058 -25.172 7 HG LEU 1 HG LEU 1 -8.972 -23.277 -25.711 8 1HD1 LEU 1 1HD1 LEU 1 -7.529 -24.921 -27.154 9 2HD1 LEU 1 2HD1 LEU 1 -7.233 -25.730 -25.614 10 3HD1 LEU 1 3HD1 LEU 1 -8.881 -25.562 -26.219 11 1HD2 LEU 1 1HD2 LEU 1 -7.067 -24.389 -23.626 12 2HD2 LEU 1 2HD2 LEU 1 -8.202 -23.057 -23.402 13 3HD2 LEU 1 3HD2 LEU 1 -8.803 -24.696 -23.657 14 H GLY 2 H GLY 2 -7.029 -19.524 -23.939 15 1HA GLY 2 1HA GLY 2 -4.138 -19.303 -24.099 16 2HA GLY 2 2HA GLY 2 -5.203 -18.378 -23.044 17 H ALA 3 H ALA 3 -6.774 -16.917 -24.416 18 HA ALA 3 HA ALA 3 -5.079 -15.093 -25.875 19 1HB ALA 3 1HB ALA 3 -5.748 -16.786 -27.621 20 2HB ALA 3 2HB ALA 3 -6.247 -15.132 -27.975 21 3HB ALA 3 3HB ALA 3 -7.422 -16.296 -27.362 22 H SER 4 H SER 4 -5.681 -13.155 -25.203 23 HA SER 4 HA SER 4 -6.960 -11.402 -24.440 24 1HB SER 4 1HB SER 4 -9.158 -12.907 -25.878 25 2HB SER 4 2HB SER 4 -9.304 -11.268 -25.248 26 HG SER 4 HG SER 4 -7.325 -12.126 -27.098 27 H TRP 5 H TRP 5 -6.602 -12.094 -22.267 28 HA TRP 5 HA TRP 5 -9.009 -12.453 -20.781 29 1HB TRP 5 1HB TRP 5 -8.222 -14.836 -21.712 30 2HB TRP 5 2HB TRP 5 -7.175 -14.750 -20.296 31 HD1 TRP 5 HD1 TRP 5 -10.604 -15.632 -21.305 32 HE1 TRP 5 HE1 TRP 5 -12.113 -15.939 -19.238 33 HE3 TRP 5 HE3 TRP 5 -7.597 -13.609 -17.707 34 HZ2 TRP 5 HZ2 TRP 5 -12.053 -15.400 -16.429 35 HZ3 TRP 5 HZ3 TRP 5 -8.347 -13.519 -15.346 36 HH2 TRP 5 HH2 TRP 5 -10.570 -14.411 -14.703 37 H HIS 6 H HIS 6 -8.188 -10.604 -19.763 38 HA HIS 6 HA HIS 6 -5.617 -10.379 -18.620 39 1HB HIS 6 1HB HIS 6 -8.177 -9.048 -17.699 40 2HB HIS 6 2HB HIS 6 -6.534 -8.520 -17.334 41 HD1 HIS 6 HD1 HIS 6 -5.039 -7.902 -19.538 42 HD2 HIS 6 HD2 HIS 6 -9.172 -8.015 -20.073 43 HE1 HIS 6 HE1 HIS 6 -5.517 -6.660 -21.693 44 H ARG 7 H ARG 7 -4.745 -11.337 -16.916 45 HA ARG 7 HA ARG 7 -6.397 -12.086 -14.625 46 1HB ARG 7 1HB ARG 7 -6.406 -14.070 -16.168 47 2HB ARG 7 2HB ARG 7 -4.652 -14.145 -15.994 48 1HG ARG 7 1HG ARG 7 -4.844 -14.495 -13.602 49 2HG ARG 7 2HG ARG 7 -6.588 -14.236 -13.665 50 1HD ARG 7 1HD ARG 7 -5.425 -16.360 -15.413 51 2HD ARG 7 2HD ARG 7 -5.551 -16.691 -13.688 52 HE ARG 7 HE ARG 7 -7.707 -16.640 -15.557 53 1HH1 ARG 7 1HH1 ARG 7 -6.875 -15.816 -12.258 54 2HH1 ARG 7 2HH1 ARG 7 -8.497 -15.997 -11.684 55 1HH2 ARG 7 1HH2 ARG 7 -9.808 -16.865 -14.767 56 2HH2 ARG 7 2HH2 ARG 7 -10.144 -16.586 -13.090 57 HA PRO 8 HA PRO 8 -2.184 -10.640 -13.455 58 1HB PRO 8 1HB PRO 8 -3.002 -8.758 -11.652 59 2HB PRO 8 2HB PRO 8 -2.829 -8.448 -13.386 60 1HG PRO 8 1HG PRO 8 -5.287 -8.758 -11.772 61 2HG PRO 8 2HG PRO 8 -5.043 -7.904 -13.303 62 1HD PRO 8 1HD PRO 8 -6.217 -10.479 -12.953 63 2HD PRO 8 2HD PRO 8 -5.784 -9.703 -14.495 64 H ASP 9 H ASP 9 -1.175 -10.477 -11.218 65 HA ASP 9 HA ASP 9 -2.602 -11.880 -9.091 66 1HB ASP 9 1HB ASP 9 -1.543 -13.661 -10.523 67 2HB ASP 9 2HB ASP 9 0.027 -12.963 -10.123 68 H LYS 10 H LYS 10 -2.344 -9.817 -8.081 69 HA LYS 10 HA LYS 10 0.176 -9.601 -6.645 70 1HB LYS 10 1HB LYS 10 -0.674 -7.647 -8.730 71 2HB LYS 10 2HB LYS 10 0.024 -7.002 -7.243 72 1HG LYS 10 1HG LYS 10 1.970 -8.542 -7.539 73 2HG LYS 10 2HG LYS 10 1.293 -9.047 -9.087 74 1HD LYS 10 1HD LYS 10 1.566 -6.116 -8.653 75 2HD LYS 10 2HD LYS 10 3.061 -7.024 -8.876 76 1HE LYS 10 1HE LYS 10 2.430 -7.776 -11.019 77 2HE LYS 10 2HE LYS 10 0.726 -7.414 -10.741 78 1HZ LYS 10 1HZ LYS 10 1.480 -5.016 -10.547 79 2HZ LYS 10 2HZ LYS 10 2.946 -5.524 -11.233 80 3HZ LYS 10 3HZ LYS 10 1.497 -5.701 -12.102 81 H CYS 11 H CYS 11 -2.602 -10.204 -6.008 82 HA CYS 11 HA CYS 11 -3.851 -7.941 -4.809 83 1HB CYS 11 1HB CYS 11 -4.223 -10.908 -4.613 84 2HB CYS 11 2HB CYS 11 -5.037 -9.848 -3.461 85 H CYS 12 H CYS 12 -1.399 -10.193 -3.759 86 HA CYS 12 HA CYS 12 -0.069 -10.241 -1.885 87 1HB CYS 12 1HB CYS 12 0.070 -7.762 -2.334 88 2HB CYS 12 2HB CYS 12 -1.262 -7.549 -1.199 89 H LEU 13 H LEU 13 -0.245 -11.126 0.109 90 HA LEU 13 HA LEU 13 -2.964 -11.255 1.255 91 1HB LEU 13 1HB LEU 13 -0.644 -13.088 1.823 92 2HB LEU 13 2HB LEU 13 -2.314 -13.317 2.293 93 HG LEU 13 HG LEU 13 -1.650 -13.137 -0.620 94 1HD1 LEU 13 1HD1 LEU 13 -0.991 -15.389 1.262 95 2HD1 LEU 13 2HD1 LEU 13 -1.467 -15.742 -0.399 96 3HD1 LEU 13 3HD1 LEU 13 -0.042 -14.753 -0.081 97 1HD2 LEU 13 1HD2 LEU 13 -3.778 -14.249 1.160 98 2HD2 LEU 13 2HD2 LEU 13 -3.936 -13.378 -0.365 99 3HD2 LEU 13 3HD2 LEU 13 -3.472 -15.080 -0.364 100 H GLY 14 H GLY 14 0.446 -10.795 2.051 101 1HA GLY 14 1HA GLY 14 1.481 -10.004 3.969 102 2HA GLY 14 2HA GLY 14 -0.016 -10.309 4.848 103 H TYR 15 H TYR 15 1.101 -8.115 5.662 104 HA TYR 15 HA TYR 15 0.344 -5.815 4.053 105 1HB TYR 15 1HB TYR 15 -1.052 -6.427 6.664 106 2HB TYR 15 2HB TYR 15 -1.128 -4.878 5.827 107 HD1 TYR 15 HD1 TYR 15 -2.088 -4.759 3.515 108 HD2 TYR 15 HD2 TYR 15 -2.356 -8.300 5.924 109 HE1 TYR 15 HE1 TYR 15 -3.892 -5.608 2.051 110 HE2 TYR 15 HE2 TYR 15 -4.163 -9.159 4.457 111 HH TYR 15 HH TYR 15 -4.813 -7.948 1.444 112 H GLN 16 H GLN 16 0.778 -3.756 5.269 113 HA GLN 16 HA GLN 16 3.429 -3.853 6.339 114 1HB GLN 16 1HB GLN 16 2.706 -1.928 5.024 115 2HB GLN 16 2HB GLN 16 1.434 -1.575 6.181 116 1HG GLN 16 1HG GLN 16 3.368 -0.096 6.529 117 2HG GLN 16 2HG GLN 16 3.150 -1.160 7.915 118 2HE2 GLN 16 2HE2 GLN 16 5.324 -0.277 5.338 119 1HE2 GLN 16 1HE2 GLN 16 6.547 -1.391 5.716 120 H LYS 17 H LYS 17 4.140 -3.347 8.399 121 HA LYS 17 HA LYS 17 2.128 -3.720 10.532 122 1HB LYS 17 1HB LYS 17 5.044 -4.468 10.357 123 2HB LYS 17 2HB LYS 17 4.201 -4.369 11.904 124 1HG LYS 17 1HG LYS 17 2.413 -5.882 10.747 125 2HG LYS 17 2HG LYS 17 3.706 -6.246 9.606 126 1HD LYS 17 1HD LYS 17 5.123 -7.095 11.351 127 2HD LYS 17 2HD LYS 17 4.032 -6.500 12.604 128 1HE LYS 17 1HE LYS 17 2.445 -8.159 12.203 129 2HE LYS 17 2HE LYS 17 2.989 -8.418 10.545 130 1HZ LYS 17 1HZ LYS 17 4.760 -9.021 12.826 131 2HZ LYS 17 2HZ LYS 17 3.596 -10.148 12.314 132 3HZ LYS 17 3HZ LYS 17 4.813 -9.635 11.245 133 H ARG 18 H ARG 18 4.541 -1.586 9.234 134 HA ARG 18 HA ARG 18 4.342 0.106 11.654 135 1HB ARG 18 1HB ARG 18 6.416 1.212 10.791 136 2HB ARG 18 2HB ARG 18 6.643 -0.489 11.199 137 1HG ARG 18 1HG ARG 18 6.454 -1.130 8.864 138 2HG ARG 18 2HG ARG 18 6.048 0.524 8.405 139 1HD ARG 18 1HD ARG 18 8.403 0.110 7.929 140 2HD ARG 18 2HD ARG 18 8.262 1.276 9.242 141 HE ARG 18 HE ARG 18 9.285 -0.264 10.640 142 1HH1 ARG 18 1HH1 ARG 18 8.096 -1.902 7.783 143 2HH1 ARG 18 2HH1 ARG 18 8.841 -3.407 8.199 144 1HH2 ARG 18 1HH2 ARG 18 10.239 -2.245 11.143 145 2HH2 ARG 18 2HH2 ARG 18 10.044 -3.601 10.083 146 HA PRO 19 HA PRO 19 2.199 2.995 9.058 147 1HB PRO 19 1HB PRO 19 2.339 5.200 10.666 148 2HB PRO 19 2HB PRO 19 1.268 3.827 10.970 149 1HG PRO 19 1HG PRO 19 3.736 4.618 12.378 150 2HG PRO 19 2HG PRO 19 2.376 3.640 12.948 151 1HD PRO 19 1HD PRO 19 4.917 2.690 12.056 152 2HD PRO 19 2HD PRO 19 3.490 1.711 12.468 153 H LEU 20 H LEU 20 2.795 4.157 7.322 154 HA LEU 20 HA LEU 20 5.453 5.436 7.331 155 1HB LEU 20 1HB LEU 20 3.937 5.227 4.801 156 2HB LEU 20 2HB LEU 20 5.643 4.999 5.108 157 HG LEU 20 HG LEU 20 3.427 2.993 5.593 158 1HD1 LEU 20 1HD1 LEU 20 4.483 3.546 3.234 159 2HD1 LEU 20 2HD1 LEU 20 5.834 2.593 3.847 160 3HD1 LEU 20 3HD1 LEU 20 4.230 1.870 3.720 161 1HD2 LEU 20 1HD2 LEU 20 5.420 3.087 7.269 162 2HD2 LEU 20 2HD2 LEU 20 5.021 1.536 6.533 163 3HD2 LEU 20 3HD2 LEU 20 6.380 2.479 5.921 164 HA PRO 21 HA PRO 21 3.435 9.383 7.114 165 1HB PRO 21 1HB PRO 21 5.543 10.908 6.269 166 2HB PRO 21 2HB PRO 21 5.391 10.266 7.914 167 1HG PRO 21 1HG PRO 21 7.192 9.413 5.732 168 2HG PRO 21 2HG PRO 21 7.375 9.229 7.481 169 1HD PRO 21 1HD PRO 21 6.541 7.225 5.628 170 2HD PRO 21 2HD PRO 21 6.553 7.103 7.402 171 H GLN 22 H GLN 22 2.230 10.492 5.645 172 HA GLN 22 HA GLN 22 2.218 9.734 2.903 173 1HB GLN 22 1HB GLN 22 0.259 10.642 4.261 174 2HB GLN 22 2HB GLN 22 0.964 12.241 4.019 175 1HG GLN 22 1HG GLN 22 0.695 10.544 1.593 176 2HG GLN 22 2HG GLN 22 -0.806 11.149 2.292 177 2HE2 GLN 22 2HE2 GLN 22 1.279 11.941 -0.075 178 1HE2 GLN 22 1HE2 GLN 22 1.228 13.635 0.013 179 H VAL 23 H VAL 23 4.156 11.969 4.626 180 HA VAL 23 HA VAL 23 4.537 14.030 2.805 181 HB VAL 23 HB VAL 23 5.424 14.028 5.111 182 1HG1 VAL 23 1HG1 VAL 23 6.343 11.532 4.574 183 2HG1 VAL 23 2HG1 VAL 23 7.821 12.461 4.336 184 3HG1 VAL 23 3HG1 VAL 23 6.972 12.536 5.880 185 1HG2 VAL 23 1HG2 VAL 23 7.418 14.411 2.867 186 2HG2 VAL 23 2HG2 VAL 23 6.400 15.638 3.623 187 3HG2 VAL 23 3HG2 VAL 23 7.728 14.914 4.529 188 H LEU 24 H LEU 24 5.828 10.795 2.822 189 HA LEU 24 HA LEU 24 7.431 11.385 0.413 190 1HB LEU 24 1HB LEU 24 8.509 9.237 0.822 191 2HB LEU 24 2HB LEU 24 8.644 10.285 2.217 192 HG LEU 24 HG LEU 24 6.563 8.986 3.094 193 1HD1 LEU 24 1HD1 LEU 24 7.105 7.617 0.599 194 2HD1 LEU 24 2HD1 LEU 24 7.281 6.502 1.953 195 3HD1 LEU 24 3HD1 LEU 24 5.771 7.382 1.726 196 1HD2 LEU 24 1HD2 LEU 24 9.390 7.964 2.892 197 2HD2 LEU 24 2HD2 LEU 24 8.602 8.759 4.255 198 3HD2 LEU 24 3HD2 LEU 24 8.172 7.102 3.831 199 H LEU 25 H LEU 25 4.791 9.506 1.702 200 HA LEU 25 HA LEU 25 4.460 7.651 -0.373 201 1HB LEU 25 1HB LEU 25 3.230 8.032 1.971 202 2HB LEU 25 2HB LEU 25 2.034 8.757 0.922 203 HG LEU 25 HG LEU 25 1.738 6.672 -0.273 204 1HD1 LEU 25 1HD1 LEU 25 4.209 5.927 1.241 205 2HD1 LEU 25 2HD1 LEU 25 3.046 4.655 0.870 206 3HD1 LEU 25 3HD1 LEU 25 3.778 5.588 -0.434 207 1HD2 LEU 25 1HD2 LEU 25 1.650 6.673 2.720 208 2HD2 LEU 25 2HD2 LEU 25 0.321 6.598 1.562 209 3HD2 LEU 25 3HD2 LEU 25 1.300 5.165 1.876 210 H SER 26 H SER 26 3.108 7.583 -2.152 211 HA SER 26 HA SER 26 2.467 10.241 -3.283 212 1HB SER 26 1HB SER 26 4.079 8.396 -4.390 213 2HB SER 26 2HB SER 26 2.538 7.850 -5.043 214 HG SER 26 HG SER 26 2.347 9.669 -6.148 215 H SER 27 H SER 27 1.318 6.896 -3.789 216 HA SER 27 HA SER 27 -1.411 7.668 -3.131 217 1HB SER 27 1HB SER 27 -0.473 7.564 -5.881 218 2HB SER 27 2HB SER 27 -1.779 6.419 -5.607 219 HG SER 27 HG SER 27 -3.113 8.028 -5.190 220 H TRP 28 H TRP 28 -2.792 5.571 -4.132 221 HA TRP 28 HA TRP 28 -1.376 3.087 -3.523 222 1HB TRP 28 1HB TRP 28 -3.147 2.413 -1.873 223 2HB TRP 28 2HB TRP 28 -2.094 3.706 -1.303 224 HD1 TRP 28 HD1 TRP 28 -3.099 6.167 -1.180 225 HE1 TRP 28 HE1 TRP 28 -5.526 7.032 -1.073 226 HE3 TRP 28 HE3 TRP 28 -5.599 1.960 -2.655 227 HZ2 TRP 28 HZ2 TRP 28 -8.178 6.057 -1.566 228 HZ3 TRP 28 HZ3 TRP 28 -8.066 1.959 -2.829 229 HH2 TRP 28 HH2 TRP 28 -9.359 4.000 -2.282 230 H TYR 29 H TYR 29 -2.254 1.338 -4.546 231 HA TYR 29 HA TYR 29 -4.723 1.868 -6.079 232 1HB TYR 29 1HB TYR 29 -3.932 0.529 -7.869 233 2HB TYR 29 2HB TYR 29 -2.590 1.571 -7.420 234 HD1 TYR 29 HD1 TYR 29 -0.660 0.626 -6.092 235 HD2 TYR 29 HD2 TYR 29 -3.819 -1.845 -7.639 236 HE1 TYR 29 HE1 TYR 29 0.761 -1.379 -5.801 237 HE2 TYR 29 HE2 TYR 29 -2.393 -3.850 -7.343 238 HH TYR 29 HH TYR 29 -0.376 -4.455 -5.780 239 HA PRO 30 HA PRO 30 -6.314 -1.520 -3.657 240 1HB PRO 30 1HB PRO 30 -8.806 -1.628 -4.763 241 2HB PRO 30 2HB PRO 30 -8.295 -0.387 -3.609 242 1HG PRO 30 1HG PRO 30 -8.755 -0.164 -6.519 243 2HG PRO 30 2HG PRO 30 -8.812 1.086 -5.270 244 1HD PRO 30 1HD PRO 30 -6.684 0.598 -7.103 245 2HD PRO 30 2HD PRO 30 -6.674 1.726 -5.726 246 H THR 31 H THR 31 -7.388 -3.641 -3.933 247 HA THR 31 HA THR 31 -6.224 -5.087 -6.178 248 HB THR 31 HB THR 31 -7.306 -7.075 -4.938 249 HG1 THR 31 HG1 THR 31 -7.386 -5.242 -2.794 250 1HG2 THR 31 1HG2 THR 31 -4.875 -6.225 -4.848 251 2HG2 THR 31 2HG2 THR 31 -5.316 -5.511 -3.298 252 3HG2 THR 31 3HG2 THR 31 -5.419 -7.257 -3.525 253 H SER 32 H SER 32 -7.827 -7.054 -6.845 254 HA SER 32 HA SER 32 -10.023 -5.704 -8.193 255 1HB SER 32 1HB SER 32 -8.807 -7.144 -9.626 256 2HB SER 32 2HB SER 32 -8.816 -8.455 -8.450 257 HG SER 32 HG SER 32 -10.390 -8.554 -10.245 258 H GLN 33 H GLN 33 -10.270 -9.066 -7.103 259 HA GLN 33 HA GLN 33 -11.865 -8.720 -4.836 260 1HB GLN 33 1HB GLN 33 -13.293 -7.731 -6.912 261 2HB GLN 33 2HB GLN 33 -13.761 -9.426 -7.007 262 1HG GLN 33 1HG GLN 33 -13.996 -9.087 -4.352 263 2HG GLN 33 2HG GLN 33 -14.307 -7.428 -4.867 264 2HE2 GLN 33 2HE2 GLN 33 -15.715 -10.554 -4.559 265 1HE2 GLN 33 1HE2 GLN 33 -17.152 -10.232 -5.405 266 H LEU 34 H LEU 34 -11.391 -10.563 -7.801 267 HA LEU 34 HA LEU 34 -12.428 -13.032 -7.041 268 1HB LEU 34 1HB LEU 34 -9.955 -12.587 -8.702 269 2HB LEU 34 2HB LEU 34 -10.969 -14.013 -8.701 270 HG LEU 34 HG LEU 34 -12.043 -11.311 -9.501 271 1HD1 LEU 34 1HD1 LEU 34 -10.341 -13.243 -11.016 272 2HD1 LEU 34 2HD1 LEU 34 -11.678 -12.473 -11.870 273 3HD1 LEU 34 3HD1 LEU 34 -10.419 -11.484 -11.132 274 1HD2 LEU 34 1HD2 LEU 34 -13.475 -13.408 -8.921 275 2HD2 LEU 34 2HD2 LEU 34 -13.824 -12.544 -10.418 276 3HD2 LEU 34 3HD2 LEU 34 -12.889 -14.038 -10.461 277 H CYS 35 H CYS 35 -9.430 -11.494 -6.114 278 HA CYS 35 HA CYS 35 -8.018 -13.754 -5.197 279 1HB CYS 35 1HB CYS 35 -7.922 -10.946 -4.068 280 2HB CYS 35 2HB CYS 35 -6.689 -12.194 -3.882 281 H SER 36 H SER 36 -7.960 -14.828 -3.273 282 HA SER 36 HA SER 36 -10.309 -15.007 -1.734 283 1HB SER 36 1HB SER 36 -8.492 -16.766 -1.951 284 2HB SER 36 2HB SER 36 -7.558 -15.824 -0.792 285 HG SER 36 HG SER 36 -8.719 -17.261 0.397 286 H LYS 37 H LYS 37 -7.132 -13.726 -0.780 287 HA LYS 37 HA LYS 37 -8.512 -12.032 1.219 288 1HB LYS 37 1HB LYS 37 -6.978 -13.779 2.168 289 2HB LYS 37 2HB LYS 37 -5.643 -12.995 1.323 290 1HG LYS 37 1HG LYS 37 -5.651 -11.166 2.718 291 2HG LYS 37 2HG LYS 37 -7.390 -11.257 2.998 292 1HD LYS 37 1HD LYS 37 -6.491 -11.931 5.064 293 2HD LYS 37 2HD LYS 37 -6.838 -13.465 4.264 294 1HE LYS 37 1HE LYS 37 -4.539 -13.739 3.615 295 2HE LYS 37 2HE LYS 37 -4.142 -12.097 4.120 296 1HZ LYS 37 1HZ LYS 37 -5.178 -14.157 5.982 297 2HZ LYS 37 2HZ LYS 37 -3.519 -13.895 5.722 298 3HZ LYS 37 3HZ LYS 37 -4.480 -12.658 6.373 299 HA PRO 38 HA PRO 38 -6.467 -9.174 -1.756 300 1HB PRO 38 1HB PRO 38 -8.615 -7.536 -2.141 301 2HB PRO 38 2HB PRO 38 -8.329 -9.016 -3.069 302 1HG PRO 38 1HG PRO 38 -10.326 -8.484 -0.959 303 2HG PRO 38 2HG PRO 38 -10.356 -9.679 -2.264 304 1HD PRO 38 1HD PRO 38 -9.714 -10.150 0.478 305 2HD PRO 38 2HD PRO 38 -9.576 -11.304 -0.869 306 H GLY 39 H GLY 39 -6.479 -6.659 -1.715 307 1HA GLY 39 1HA GLY 39 -5.502 -5.747 0.747 308 2HA GLY 39 2HA GLY 39 -7.182 -5.223 0.616 309 H VAL 40 H VAL 40 -4.415 -3.849 0.438 310 HA VAL 40 HA VAL 40 -4.535 -2.732 -2.259 311 HB VAL 40 HB VAL 40 -4.751 -0.899 0.136 312 1HG1 VAL 40 1HG1 VAL 40 -3.725 -0.371 -2.309 313 2HG1 VAL 40 2HG1 VAL 40 -5.432 -0.071 -2.627 314 3HG1 VAL 40 3HG1 VAL 40 -4.603 0.821 -1.352 315 1HG2 VAL 40 1HG2 VAL 40 -6.843 -1.949 -1.779 316 2HG2 VAL 40 2HG2 VAL 40 -6.872 -1.991 -0.015 317 3HG2 VAL 40 3HG2 VAL 40 -7.062 -0.457 -0.864 318 H ILE 41 H ILE 41 -2.626 -2.030 -2.983 319 HA ILE 41 HA ILE 41 -0.342 -2.157 -1.117 320 HB ILE 41 HB ILE 41 -0.609 -2.704 -4.073 321 1HG1 ILE 41 1HG1 ILE 41 0.820 -4.718 -3.165 322 2HG1 ILE 41 2HG1 ILE 41 0.181 -4.204 -1.604 323 1HG2 ILE 41 1HG2 ILE 41 1.956 -2.217 -2.527 324 2HG2 ILE 41 2HG2 ILE 41 1.886 -2.975 -4.119 325 3HG2 ILE 41 3HG2 ILE 41 1.372 -1.298 -3.917 326 1HD1 ILE 41 1HD1 ILE 41 -1.756 -4.434 -3.858 327 2HD1 ILE 41 2HD1 ILE 41 -1.139 -5.934 -3.170 328 3HD1 ILE 41 3HD1 ILE 41 -1.983 -4.775 -2.143 329 H PHE 42 H PHE 42 0.676 -0.326 -0.648 330 HA PHE 42 HA PHE 42 -0.174 2.171 -1.799 331 1HB PHE 42 1HB PHE 42 1.723 1.336 0.356 332 2HB PHE 42 2HB PHE 42 1.915 2.942 -0.347 333 HD1 PHE 42 HD1 PHE 42 0.077 4.599 -0.226 334 HD2 PHE 42 HD2 PHE 42 -0.183 0.780 1.722 335 HE1 PHE 42 HE1 PHE 42 -1.816 5.428 1.143 336 HE2 PHE 42 HE2 PHE 42 -2.076 1.610 3.092 337 HZ PHE 42 HZ PHE 42 -2.893 3.933 2.803 338 H LEU 43 H LEU 43 1.361 3.756 -2.643 339 HA LEU 43 HA LEU 43 3.698 2.616 -4.021 340 1HB LEU 43 1HB LEU 43 1.708 4.409 -5.402 341 2HB LEU 43 2HB LEU 43 3.106 3.630 -6.110 342 HG LEU 43 HG LEU 43 0.993 1.883 -4.930 343 1HD1 LEU 43 1HD1 LEU 43 0.687 3.654 -7.329 344 2HD1 LEU 43 2HD1 LEU 43 0.008 2.028 -7.383 345 3HD1 LEU 43 3HD1 LEU 43 -0.521 3.162 -6.141 346 1HD2 LEU 43 1HD2 LEU 43 3.318 1.403 -6.240 347 2HD2 LEU 43 2HD2 LEU 43 1.936 0.310 -6.305 348 3HD2 LEU 43 3HD2 LEU 43 2.209 1.464 -7.610 349 H THR 44 H THR 44 5.075 3.760 -2.656 350 HA THR 44 HA THR 44 4.738 6.462 -1.925 351 HB THR 44 HB THR 44 7.131 6.385 -1.324 352 HG1 THR 44 HG1 THR 44 7.627 4.994 -3.220 353 1HG2 THR 44 1HG2 THR 44 5.221 4.220 -0.596 354 2HG2 THR 44 2HG2 THR 44 6.887 4.051 -0.049 355 3HG2 THR 44 3HG2 THR 44 5.947 5.466 0.417 356 H LYS 45 H LYS 45 6.303 8.222 -2.560 357 HA LYS 45 HA LYS 45 6.006 8.828 -5.300 358 1HB LYS 45 1HB LYS 45 7.731 10.014 -3.125 359 2HB LYS 45 2HB LYS 45 7.744 10.638 -4.775 360 1HG LYS 45 1HG LYS 45 5.584 11.447 -4.637 361 2HG LYS 45 2HG LYS 45 5.091 10.228 -3.462 362 1HD LYS 45 1HD LYS 45 5.244 11.980 -1.999 363 2HD LYS 45 2HD LYS 45 6.954 11.547 -2.001 364 1HE LYS 45 1HE LYS 45 7.201 13.150 -3.988 365 2HE LYS 45 2HE LYS 45 5.589 13.736 -3.577 366 1HZ LYS 45 1HZ LYS 45 7.782 13.588 -1.594 367 2HZ LYS 45 2HZ LYS 45 7.513 14.962 -2.551 368 3HZ LYS 45 3HZ LYS 45 6.314 14.432 -1.471 369 H ARG 46 H ARG 46 8.965 8.063 -3.462 370 HA ARG 46 HA ARG 46 10.119 6.952 -5.948 371 1HB ARG 46 1HB ARG 46 11.018 9.246 -5.111 372 2HB ARG 46 2HB ARG 46 11.822 8.282 -3.871 373 1HG ARG 46 1HG ARG 46 12.565 6.801 -5.914 374 2HG ARG 46 2HG ARG 46 12.229 8.261 -6.844 375 1HD ARG 46 1HD ARG 46 14.145 7.993 -4.515 376 2HD ARG 46 2HD ARG 46 14.566 8.289 -6.198 377 HE ARG 46 HE ARG 46 13.638 10.243 -4.281 378 1HH1 ARG 46 1HH1 ARG 46 13.857 9.430 -7.680 379 2HH1 ARG 46 2HH1 ARG 46 13.753 11.077 -8.196 380 1HH2 ARG 46 1HH2 ARG 46 13.506 12.377 -4.998 381 2HH2 ARG 46 2HH2 ARG 46 13.557 12.733 -6.693 382 H GLY 47 H GLY 47 9.127 6.206 -2.853 383 1HA GLY 47 1HA GLY 47 9.671 4.579 -1.322 384 2HA GLY 47 2HA GLY 47 11.299 4.561 -1.991 385 H ARG 48 H ARG 48 8.444 2.865 -1.657 386 HA ARG 48 HA ARG 48 8.696 1.263 -4.080 387 1HB ARG 48 1HB ARG 48 9.811 0.431 -1.478 388 2HB ARG 48 2HB ARG 48 8.758 -0.765 -2.230 389 1HG ARG 48 1HG ARG 48 10.105 -0.336 -4.386 390 2HG ARG 48 2HG ARG 48 11.280 0.466 -3.343 391 1HD ARG 48 1HD ARG 48 12.133 -1.662 -3.229 392 2HD ARG 48 2HD ARG 48 10.959 -1.782 -1.923 393 HE ARG 48 HE ARG 48 9.633 -2.502 -4.273 394 1HH1 ARG 48 1HH1 ARG 48 12.319 -3.650 -2.343 395 2HH1 ARG 48 2HH1 ARG 48 12.089 -5.301 -2.800 396 1HH2 ARG 48 1HH2 ARG 48 9.368 -4.668 -4.841 397 2HH2 ARG 48 2HH2 ARG 48 10.432 -5.875 -4.202 398 H GLN 49 H GLN 49 7.241 -0.898 -3.477 399 HA GLN 49 HA GLN 49 4.618 0.246 -2.817 400 1HB GLN 49 1HB GLN 49 5.570 -2.072 -4.426 401 2HB GLN 49 2HB GLN 49 4.009 -2.238 -3.621 402 1HG GLN 49 1HG GLN 49 3.019 -0.607 -4.898 403 2HG GLN 49 2HG GLN 49 4.510 0.321 -5.057 404 2HE2 GLN 49 2HE2 GLN 49 6.289 -1.448 -6.186 405 1HE2 GLN 49 1HE2 GLN 49 5.711 -2.013 -7.679 406 H VAL 50 H VAL 50 3.244 -0.694 -1.274 407 HA VAL 50 HA VAL 50 4.339 -2.826 0.421 408 HB VAL 50 HB VAL 50 3.421 -0.177 1.567 409 1HG1 VAL 50 1HG1 VAL 50 4.553 -2.697 2.823 410 2HG1 VAL 50 2HG1 VAL 50 4.323 -1.174 3.684 411 3HG1 VAL 50 3HG1 VAL 50 2.929 -2.045 3.046 412 1HG2 VAL 50 1HG2 VAL 50 6.184 -1.392 1.275 413 2HG2 VAL 50 2HG2 VAL 50 5.601 0.093 0.523 414 3HG2 VAL 50 3HG2 VAL 50 5.819 0.017 2.271 415 H CYS 51 H CYS 51 2.813 -4.139 1.230 416 HA CYS 51 HA CYS 51 0.086 -3.829 0.350 417 1HB CYS 51 1HB CYS 51 1.254 -5.839 2.294 418 2HB CYS 51 2HB CYS 51 -0.302 -5.959 1.474 419 H ALA 52 H ALA 52 -1.626 -3.048 1.500 420 HA ALA 52 HA ALA 52 -1.343 -2.691 4.397 421 1HB ALA 52 1HB ALA 52 -0.517 -0.606 3.143 422 2HB ALA 52 2HB ALA 52 -2.207 -0.358 2.708 423 3HB ALA 52 3HB ALA 52 -1.726 -0.370 4.404 424 H ASP 53 H ASP 53 -3.237 -2.635 5.509 425 HA ASP 53 HA ASP 53 -5.679 -3.192 3.941 426 1HB ASP 53 1HB ASP 53 -4.666 -4.126 6.586 427 2HB ASP 53 2HB ASP 53 -6.407 -3.898 6.421 428 H LYS 54 H LYS 54 -7.344 -1.807 4.034 429 HA LYS 54 HA LYS 54 -7.086 0.775 5.088 430 1HB LYS 54 1HB LYS 54 -9.546 0.962 4.711 431 2HB LYS 54 2HB LYS 54 -8.676 0.318 3.318 432 1HG LYS 54 1HG LYS 54 -9.333 -1.940 3.860 433 2HG LYS 54 2HG LYS 54 -10.013 -1.424 5.403 434 1HD LYS 54 1HD LYS 54 -11.684 -0.050 4.206 435 2HD LYS 54 2HD LYS 54 -11.016 -0.590 2.665 436 1HE LYS 54 1HE LYS 54 -12.865 -2.026 3.045 437 2HE LYS 54 2HE LYS 54 -11.458 -2.982 3.512 438 1HZ LYS 54 1HZ LYS 54 -12.828 -1.329 5.521 439 2HZ LYS 54 2HZ LYS 54 -13.486 -2.834 5.088 440 3HZ LYS 54 3HZ LYS 54 -11.921 -2.750 5.734 441 H SER 55 H SER 55 -8.070 -2.177 6.627 442 HA SER 55 HA SER 55 -9.672 -1.225 8.711 443 1HB SER 55 1HB SER 55 -7.725 -3.355 9.372 444 2HB SER 55 2HB SER 55 -9.464 -3.302 9.626 445 HG SER 55 HG SER 55 -8.022 -4.300 7.540 446 H LYS 56 H LYS 56 -6.215 -1.045 8.237 447 HA LYS 56 HA LYS 56 -5.391 -0.539 10.881 448 1HB LYS 56 1HB LYS 56 -4.223 0.555 8.309 449 2HB LYS 56 2HB LYS 56 -3.414 0.518 9.876 450 1HG LYS 56 1HG LYS 56 -3.929 -2.040 9.808 451 2HG LYS 56 2HG LYS 56 -4.142 -1.782 8.077 452 1HD LYS 56 1HD LYS 56 -1.851 -0.562 8.200 453 2HD LYS 56 2HD LYS 56 -1.662 -1.396 9.744 454 1HE LYS 56 1HE LYS 56 -2.510 -2.976 7.342 455 2HE LYS 56 2HE LYS 56 -0.812 -2.528 7.512 456 1HZ LYS 56 1HZ LYS 56 -2.428 -3.956 9.554 457 2HZ LYS 56 2HZ LYS 56 -1.281 -4.674 8.526 458 3HZ LYS 56 3HZ LYS 56 -0.789 -3.544 9.695 459 H ASP 57 H ASP 57 -4.219 1.798 11.182 460 HA ASP 57 HA ASP 57 -6.449 3.730 11.057 461 1HB ASP 57 1HB ASP 57 -5.205 4.911 12.893 462 2HB ASP 57 2HB ASP 57 -5.772 3.301 13.331 463 H TRP 58 H TRP 58 -2.928 3.452 10.639 464 HA TRP 58 HA TRP 58 -2.674 6.123 9.618 465 1HB TRP 58 1HB TRP 58 -0.378 5.451 8.989 466 2HB TRP 58 2HB TRP 58 -0.748 5.091 10.672 467 HD1 TRP 58 HD1 TRP 58 -1.029 2.541 11.362 468 HE1 TRP 58 HE1 TRP 58 -0.225 0.365 10.241 469 HE3 TRP 58 HE3 TRP 58 0.013 4.293 6.687 470 HZ2 TRP 58 HZ2 TRP 58 0.736 -0.519 7.683 471 HZ3 TRP 58 HZ3 TRP 58 0.875 2.773 4.931 472 HH2 TRP 58 HH2 TRP 58 1.234 0.371 5.423 473 H VAL 59 H VAL 59 -3.417 3.015 8.254 474 HA VAL 59 HA VAL 59 -2.800 3.697 5.535 475 HB VAL 59 HB VAL 59 -4.673 1.568 6.605 476 1HG1 VAL 59 1HG1 VAL 59 -3.733 2.355 3.910 477 2HG1 VAL 59 2HG1 VAL 59 -3.619 0.631 4.264 478 3HG1 VAL 59 3HG1 VAL 59 -5.174 1.455 4.381 479 1HG2 VAL 59 1HG2 VAL 59 -1.725 1.480 5.892 480 2HG2 VAL 59 2HG2 VAL 59 -2.407 1.324 7.511 481 3HG2 VAL 59 3HG2 VAL 59 -2.707 0.074 6.303 482 H LYS 60 H LYS 60 -5.577 3.972 7.658 483 HA LYS 60 HA LYS 60 -7.513 4.582 5.663 484 1HB LYS 60 1HB LYS 60 -7.895 3.922 8.133 485 2HB LYS 60 2HB LYS 60 -7.610 5.627 8.487 486 1HG LYS 60 1HG LYS 60 -9.481 6.326 7.223 487 2HG LYS 60 2HG LYS 60 -9.592 4.782 6.375 488 1HD LYS 60 1HD LYS 60 -10.012 3.767 8.729 489 2HD LYS 60 2HD LYS 60 -10.365 5.425 9.216 490 1HE LYS 60 1HE LYS 60 -12.481 4.801 8.551 491 2HE LYS 60 2HE LYS 60 -11.858 5.344 6.993 492 1HZ LYS 60 1HZ LYS 60 -11.610 2.545 7.928 493 2HZ LYS 60 2HZ LYS 60 -12.940 3.092 7.025 494 3HZ LYS 60 3HZ LYS 60 -11.378 3.145 6.358 495 H LYS 61 H LYS 61 -5.390 6.563 7.695 496 HA LYS 61 HA LYS 61 -6.369 9.089 6.899 497 1HB LYS 61 1HB LYS 61 -3.626 8.246 7.860 498 2HB LYS 61 2HB LYS 61 -4.108 9.925 7.617 499 1HG LYS 61 1HG LYS 61 -5.936 9.656 9.234 500 2HG LYS 61 2HG LYS 61 -5.505 7.959 9.457 501 1HD LYS 61 1HD LYS 61 -4.317 8.835 11.218 502 2HD LYS 61 2HD LYS 61 -3.106 9.062 9.956 503 1HE LYS 61 1HE LYS 61 -3.254 11.174 11.034 504 2HE LYS 61 2HE LYS 61 -4.197 11.356 9.555 505 1HZ LYS 61 1HZ LYS 61 -5.492 10.473 12.050 506 2HZ LYS 61 2HZ LYS 61 -5.206 12.124 11.774 507 3HZ LYS 61 3HZ LYS 61 -6.180 11.244 10.702 508 H LEU 62 H LEU 62 -3.735 7.077 5.618 509 HA LEU 62 HA LEU 62 -2.850 8.863 3.619 510 1HB LEU 62 1HB LEU 62 -2.849 5.849 3.587 511 2HB LEU 62 2HB LEU 62 -1.931 6.874 2.508 512 HG LEU 62 HG LEU 62 -1.541 7.032 5.487 513 1HD1 LEU 62 1HD1 LEU 62 -0.497 5.002 3.520 514 2HD1 LEU 62 2HD1 LEU 62 0.444 5.448 4.943 515 3HD1 LEU 62 3HD1 LEU 62 -1.157 4.736 5.133 516 1HD2 LEU 62 1HD2 LEU 62 -0.147 7.914 2.994 517 2HD2 LEU 62 2HD2 LEU 62 -0.336 8.759 4.530 518 3HD2 LEU 62 3HD2 LEU 62 0.857 7.469 4.375 519 H MET 63 H MET 63 -5.232 6.263 3.586 520 HA MET 63 HA MET 63 -5.957 6.245 0.904 521 1HB MET 63 1HB MET 63 -7.443 5.660 3.439 522 2HB MET 63 2HB MET 63 -8.318 5.684 1.908 523 1HG MET 63 1HG MET 63 -6.248 4.191 1.127 524 2HG MET 63 2HG MET 63 -6.187 3.812 2.848 525 1HE MET 63 1HE MET 63 -6.737 2.650 -0.015 526 2HE MET 63 2HE MET 63 -7.202 1.131 0.744 527 3HE MET 63 3HE MET 63 -8.335 1.978 -0.318 528 H GLN 64 H GLN 64 -6.854 8.494 3.444 529 HA GLN 64 HA GLN 64 -8.724 9.897 1.678 530 1HB GLN 64 1HB GLN 64 -8.885 9.463 4.319 531 2HB GLN 64 2HB GLN 64 -8.016 10.998 4.348 532 1HG GLN 64 1HG GLN 64 -10.136 11.859 4.228 533 2HG GLN 64 2HG GLN 64 -9.897 11.591 2.502 534 2HE2 GLN 64 2HE2 GLN 64 -11.950 10.854 5.111 535 1HE2 GLN 64 1HE2 GLN 64 -12.780 9.552 4.403 536 H GLN 65 H GLN 65 -5.523 10.219 3.062 537 HA GLN 65 HA GLN 65 -5.171 12.983 2.408 538 1HB GLN 65 1HB GLN 65 -3.392 10.756 3.303 539 2HB GLN 65 2HB GLN 65 -2.656 12.203 2.617 540 1HG GLN 65 1HG GLN 65 -4.795 12.737 4.586 541 2HG GLN 65 2HG GLN 65 -3.372 11.935 5.249 542 2HE2 GLN 65 2HE2 GLN 65 -3.614 14.368 2.606 543 1HE2 GLN 65 1HE2 GLN 65 -2.586 15.495 3.350 544 H LEU 66 H LEU 66 -4.583 9.938 0.756 545 HA LEU 66 HA LEU 66 -3.420 11.399 -1.532 546 1HB LEU 66 1HB LEU 66 -3.516 8.421 -1.092 547 2HB LEU 66 2HB LEU 66 -2.596 9.283 -2.306 548 HG LEU 66 HG LEU 66 -2.118 9.443 0.681 549 1HD1 LEU 66 1HD1 LEU 66 -1.582 7.233 -0.442 550 2HD1 LEU 66 2HD1 LEU 66 -0.432 8.109 -1.453 551 3HD1 LEU 66 3HD1 LEU 66 -0.199 8.043 0.293 552 1HD2 LEU 66 1HD2 LEU 66 -1.027 10.849 -1.708 553 2HD2 LEU 66 2HD2 LEU 66 -1.193 11.419 -0.047 554 3HD2 LEU 66 3HD2 LEU 66 0.140 10.350 -0.483 555 HA PRO 67 HA PRO 67 -7.119 10.676 -3.812 556 1HB PRO 67 1HB PRO 67 -6.165 10.615 -6.378 557 2HB PRO 67 2HB PRO 67 -6.316 12.092 -5.412 558 1HG PRO 67 1HG PRO 67 -3.884 10.560 -6.136 559 2HG PRO 67 2HG PRO 67 -4.065 12.281 -5.764 560 1HD PRO 67 1HD PRO 67 -3.066 10.289 -4.016 561 2HD PRO 67 2HD PRO 67 -3.537 11.945 -3.565 562 H VAL 68 H VAL 68 -4.993 8.904 -6.029 563 HA VAL 68 HA VAL 68 -5.139 6.307 -5.291 564 HB VAL 68 HB VAL 68 -7.836 7.223 -6.113 565 1HG1 VAL 68 1HG1 VAL 68 -6.725 4.649 -7.276 566 2HG1 VAL 68 2HG1 VAL 68 -8.438 5.062 -7.205 567 3HG1 VAL 68 3HG1 VAL 68 -7.337 6.029 -8.187 568 1HG2 VAL 68 1HG2 VAL 68 -6.801 5.915 -4.009 569 2HG2 VAL 68 2HG2 VAL 68 -8.485 5.737 -4.498 570 3HG2 VAL 68 3HG2 VAL 68 -7.293 4.528 -4.980 571 H THR 69 H THR 69 -4.640 4.826 -7.029 572 HA THR 69 HA THR 69 -2.972 5.952 -9.000 573 HB THR 69 HB THR 69 -3.395 3.512 -10.032 574 HG1 THR 69 HG1 THR 69 -4.845 2.598 -8.810 575 1HG2 THR 69 1HG2 THR 69 -1.314 4.464 -8.979 576 2HG2 THR 69 2HG2 THR 69 -1.932 3.932 -7.416 577 3HG2 THR 69 3HG2 THR 69 -1.560 2.746 -8.667 578 H ALA 70 H ALA 70 -3.910 7.386 -10.376 579 HA ALA 70 HA ALA 70 -5.600 6.294 -12.465 580 1HB ALA 70 1HB ALA 70 -7.278 8.187 -12.189 581 2HB ALA 70 2HB ALA 70 -7.378 6.894 -10.994 582 3HB ALA 70 3HB ALA 70 -6.607 8.425 -10.576 583 H ARG 71 H ARG 71 -6.098 8.051 -14.116 584 HA ARG 71 HA ARG 71 -4.441 10.397 -14.144 585 1HB ARG 71 1HB ARG 71 -2.824 8.488 -14.663 586 2HB ARG 71 2HB ARG 71 -3.716 8.283 -16.171 587 1HG ARG 71 1HG ARG 71 -2.875 11.054 -15.488 588 2HG ARG 71 2HG ARG 71 -1.599 9.934 -15.966 589 1HD ARG 71 1HD ARG 71 -3.023 9.340 -17.977 590 2HD ARG 71 2HD ARG 71 -4.072 10.683 -17.540 591 HE ARG 71 HE ARG 71 -2.494 12.108 -18.445 592 1HH1 ARG 71 1HH1 ARG 71 -0.956 9.065 -17.649 593 2HH1 ARG 71 2HH1 ARG 71 0.562 9.522 -18.337 594 1HH2 ARG 71 1HH2 ARG 71 -0.495 12.663 -19.332 595 2HH2 ARG 71 2HH2 ARG 71 0.823 11.541 -19.283 No H/Q in entry = 595 Start of MODEL 28 1 H1 LEU 1 H1 LEU 1 14.838 -11.351 -23.004 2 H2 LEU 1 H2 LEU 1 16.313 -12.177 -22.834 3 H3 LEU 1 H3 LEU 1 16.034 -11.203 -24.199 4 HA LEU 1 HA LEU 1 14.301 -12.682 -24.961 5 1HB LEU 1 1HB LEU 1 16.987 -13.886 -24.273 6 2HB LEU 1 2HB LEU 1 15.789 -14.764 -25.225 7 HG LEU 1 HG LEU 1 16.571 -11.958 -25.980 8 1HD1 LEU 1 1HD1 LEU 1 18.631 -13.422 -25.746 9 2HD1 LEU 1 2HD1 LEU 1 17.940 -14.465 -26.990 10 3HD1 LEU 1 3HD1 LEU 1 18.350 -12.792 -27.369 11 1HD2 LEU 1 1HD2 LEU 1 14.584 -13.343 -26.939 12 2HD2 LEU 1 2HD2 LEU 1 15.663 -12.537 -28.077 13 3HD2 LEU 1 3HD2 LEU 1 15.833 -14.266 -27.775 14 H GLY 2 H GLY 2 12.543 -13.220 -23.759 15 1HA GLY 2 1HA GLY 2 12.445 -15.725 -22.454 16 2HA GLY 2 2HA GLY 2 11.181 -14.500 -22.411 17 H ALA 3 H ALA 3 12.520 -12.405 -21.195 18 HA ALA 3 HA ALA 3 13.228 -13.520 -18.544 19 1HB ALA 3 1HB ALA 3 15.098 -12.302 -19.567 20 2HB ALA 3 2HB ALA 3 14.069 -10.885 -19.778 21 3HB ALA 3 3HB ALA 3 14.489 -11.437 -18.157 22 H SER 4 H SER 4 11.567 -10.898 -20.249 23 HA SER 4 HA SER 4 9.850 -9.500 -19.642 24 1HB SER 4 1HB SER 4 8.015 -10.487 -18.544 25 2HB SER 4 2HB SER 4 8.815 -11.836 -19.342 26 HG SER 4 HG SER 4 8.534 -12.512 -17.291 27 H TRP 5 H TRP 5 8.700 -8.512 -17.615 28 HA TRP 5 HA TRP 5 10.540 -8.256 -15.343 29 1HB TRP 5 1HB TRP 5 10.883 -6.446 -17.240 30 2HB TRP 5 2HB TRP 5 9.448 -5.729 -16.508 31 HD1 TRP 5 HD1 TRP 5 13.040 -6.772 -15.644 32 HE1 TRP 5 HE1 TRP 5 13.795 -5.456 -13.560 33 HE3 TRP 5 HE3 TRP 5 8.665 -4.422 -14.452 34 HZ2 TRP 5 HZ2 TRP 5 12.689 -3.646 -11.639 35 HZ3 TRP 5 HZ3 TRP 5 8.544 -2.909 -12.492 36 HH2 TRP 5 HH2 TRP 5 10.549 -2.519 -11.086 37 H HIS 6 H HIS 6 8.904 -9.343 -14.176 38 HA HIS 6 HA HIS 6 7.050 -7.662 -12.865 39 1HB HIS 6 1HB HIS 6 4.939 -8.747 -13.661 40 2HB HIS 6 2HB HIS 6 5.726 -7.754 -14.888 41 HD1 HIS 6 HD1 HIS 6 5.802 -8.886 -17.096 42 HD2 HIS 6 HD2 HIS 6 6.035 -11.638 -13.972 43 HE1 HIS 6 HE1 HIS 6 5.966 -11.174 -18.168 44 H ARG 7 H ARG 7 5.876 -8.758 -11.203 45 HA ARG 7 HA ARG 7 6.923 -11.472 -10.645 46 1HB ARG 7 1HB ARG 7 6.380 -9.134 -8.829 47 2HB ARG 7 2HB ARG 7 6.400 -10.783 -8.203 48 1HG ARG 7 1HG ARG 7 8.631 -10.153 -7.929 49 2HG ARG 7 2HG ARG 7 8.677 -10.953 -9.501 50 1HD ARG 7 1HD ARG 7 8.550 -8.822 -10.651 51 2HD ARG 7 2HD ARG 7 8.305 -7.969 -9.131 52 HE ARG 7 HE ARG 7 10.704 -9.265 -8.799 53 1HH1 ARG 7 1HH1 ARG 7 9.406 -7.042 -11.172 54 2HH1 ARG 7 2HH1 ARG 7 10.949 -6.351 -11.535 55 1HH2 ARG 7 1HH2 ARG 7 12.696 -8.336 -9.303 56 2HH2 ARG 7 2HH2 ARG 7 12.797 -7.075 -10.487 57 HA PRO 8 HA PRO 8 2.699 -12.755 -10.395 58 1HB PRO 8 1HB PRO 8 2.939 -14.948 -8.783 59 2HB PRO 8 2HB PRO 8 3.482 -14.903 -10.467 60 1HG PRO 8 1HG PRO 8 5.080 -14.873 -7.980 61 2HG PRO 8 2HG PRO 8 5.532 -15.408 -9.604 62 1HD PRO 8 1HD PRO 8 6.223 -12.935 -8.372 63 2HD PRO 8 2HD PRO 8 6.491 -13.391 -10.070 64 H ASP 9 H ASP 9 1.142 -13.813 -8.546 65 HA ASP 9 HA ASP 9 -0.147 -13.374 -6.692 66 1HB ASP 9 1HB ASP 9 2.630 -12.854 -5.730 67 2HB ASP 9 2HB ASP 9 1.287 -12.320 -4.717 68 H LYS 10 H LYS 10 -1.560 -11.813 -7.215 69 HA LYS 10 HA LYS 10 -0.641 -9.006 -7.167 70 1HB LYS 10 1HB LYS 10 -2.805 -10.449 -8.628 71 2HB LYS 10 2HB LYS 10 -3.094 -8.767 -8.179 72 1HG LYS 10 1HG LYS 10 -0.592 -8.525 -9.150 73 2HG LYS 10 2HG LYS 10 -1.135 -9.902 -10.110 74 1HD LYS 10 1HD LYS 10 -3.190 -8.577 -10.714 75 2HD LYS 10 2HD LYS 10 -2.463 -7.185 -9.908 76 1HE LYS 10 1HE LYS 10 -2.020 -7.135 -12.338 77 2HE LYS 10 2HE LYS 10 -0.524 -7.310 -11.423 78 1HZ LYS 10 1HZ LYS 10 -2.005 -9.658 -12.439 79 2HZ LYS 10 2HZ LYS 10 -0.865 -8.842 -13.400 80 3HZ LYS 10 3HZ LYS 10 -0.382 -9.563 -11.943 81 H CYS 11 H CYS 11 -2.913 -11.290 -5.785 82 HA CYS 11 HA CYS 11 -4.581 -9.499 -4.398 83 1HB CYS 11 1HB CYS 11 -3.752 -12.283 -3.545 84 2HB CYS 11 2HB CYS 11 -5.173 -11.397 -2.991 85 H CYS 12 H CYS 12 -1.395 -10.769 -3.682 86 HA CYS 12 HA CYS 12 0.143 -10.246 -2.054 87 1HB CYS 12 1HB CYS 12 -0.711 -7.878 -2.828 88 2HB CYS 12 2HB CYS 12 -1.468 -7.857 -1.235 89 H LEU 13 H LEU 13 -0.062 -11.816 -0.551 90 HA LEU 13 HA LEU 13 -2.285 -11.871 1.307 91 1HB LEU 13 1HB LEU 13 0.241 -13.510 1.146 92 2HB LEU 13 2HB LEU 13 -1.032 -13.776 2.317 93 HG LEU 13 HG LEU 13 -2.597 -14.168 0.360 94 1HD1 LEU 13 1HD1 LEU 13 0.046 -13.904 -1.066 95 2HD1 LEU 13 2HD1 LEU 13 -1.242 -14.908 -1.732 96 3HD1 LEU 13 3HD1 LEU 13 -1.508 -13.183 -1.482 97 1HD2 LEU 13 1HD2 LEU 13 -0.222 -15.901 1.015 98 2HD2 LEU 13 2HD2 LEU 13 -1.912 -16.121 1.471 99 3HD2 LEU 13 3HD2 LEU 13 -1.398 -16.431 -0.188 100 H GLY 14 H GLY 14 1.086 -10.898 1.299 101 1HA GLY 14 1HA GLY 14 2.439 -10.191 3.098 102 2HA GLY 14 2HA GLY 14 1.050 -10.334 4.171 103 H TYR 15 H TYR 15 1.462 -8.254 5.027 104 HA TYR 15 HA TYR 15 0.976 -6.004 3.174 105 1HB TYR 15 1HB TYR 15 -0.321 -6.472 5.867 106 2HB TYR 15 2HB TYR 15 -0.388 -4.942 4.991 107 HD1 TYR 15 HD1 TYR 15 -1.153 -8.587 4.646 108 HD2 TYR 15 HD2 TYR 15 -1.991 -4.596 3.304 109 HE1 TYR 15 HE1 TYR 15 -3.042 -9.441 3.285 110 HE2 TYR 15 HE2 TYR 15 -3.879 -5.446 1.942 111 HH TYR 15 HH TYR 15 -5.445 -7.599 2.118 112 H GLN 16 H GLN 16 1.416 -3.857 4.405 113 HA GLN 16 HA GLN 16 4.144 -3.814 5.109 114 1HB GLN 16 1HB GLN 16 2.310 -1.888 4.449 115 2HB GLN 16 2HB GLN 16 2.519 -1.591 6.173 116 1HG GLN 16 1HG GLN 16 4.786 -1.815 4.167 117 2HG GLN 16 2HG GLN 16 4.140 -0.298 4.793 118 2HE2 GLN 16 2HE2 GLN 16 5.942 -3.231 5.713 119 1HE2 GLN 16 1HE2 GLN 16 6.554 -2.596 7.162 120 H LYS 17 H LYS 17 1.216 -3.641 7.084 121 HA LYS 17 HA LYS 17 0.815 -4.166 9.283 122 1HB LYS 17 1HB LYS 17 2.416 -6.114 8.673 123 2HB LYS 17 2HB LYS 17 3.617 -5.203 9.589 124 1HG LYS 17 1HG LYS 17 1.571 -5.076 11.334 125 2HG LYS 17 2HG LYS 17 1.166 -6.598 10.541 126 1HD LYS 17 1HD LYS 17 3.691 -7.170 10.901 127 2HD LYS 17 2HD LYS 17 3.632 -5.888 12.111 128 1HE LYS 17 1HE LYS 17 3.048 -7.718 13.414 129 2HE LYS 17 2HE LYS 17 1.453 -7.169 12.898 130 1HZ LYS 17 1HZ LYS 17 3.035 -9.217 11.449 131 2HZ LYS 17 2HZ LYS 17 1.853 -9.589 12.612 132 3HZ LYS 17 3HZ LYS 17 1.416 -8.787 11.179 133 H ARG 18 H ARG 18 2.717 -1.761 8.305 134 HA ARG 18 HA ARG 18 2.976 -0.689 11.003 135 1HB ARG 18 1HB ARG 18 5.260 -1.263 9.167 136 2HB ARG 18 2HB ARG 18 5.318 0.209 10.133 137 1HG ARG 18 1HG ARG 18 4.444 -2.068 11.728 138 2HG ARG 18 2HG ARG 18 6.004 -2.378 10.974 139 1HD ARG 18 1HD ARG 18 5.694 0.316 12.152 140 2HD ARG 18 2HD ARG 18 5.689 -1.010 13.309 141 HE ARG 18 HE ARG 18 7.840 -1.440 11.573 142 1HH1 ARG 18 1HH1 ARG 18 6.820 0.936 13.932 143 2HH1 ARG 18 2HH1 ARG 18 8.438 1.380 14.353 144 1HH2 ARG 18 1HH2 ARG 18 9.934 -0.833 12.151 145 2HH2 ARG 18 2HH2 ARG 18 10.187 0.388 13.354 146 HA PRO 19 HA PRO 19 1.688 2.892 8.724 147 1HB PRO 19 1HB PRO 19 2.050 4.785 10.658 148 2HB PRO 19 2HB PRO 19 0.731 3.606 10.670 149 1HG PRO 19 1HG PRO 19 3.140 3.730 12.364 150 2HG PRO 19 2HG PRO 19 1.591 2.930 12.665 151 1HD PRO 19 1HD PRO 19 4.034 1.707 11.806 152 2HD PRO 19 2HD PRO 19 2.444 0.931 11.994 153 H LEU 20 H LEU 20 2.714 4.004 7.172 154 HA LEU 20 HA LEU 20 5.484 4.913 7.655 155 1HB LEU 20 1HB LEU 20 4.412 5.196 4.934 156 2HB LEU 20 2HB LEU 20 5.948 4.564 5.476 157 HG LEU 20 HG LEU 20 3.321 3.068 5.330 158 1HD1 LEU 20 1HD1 LEU 20 5.023 3.632 3.304 159 2HD1 LEU 20 2HD1 LEU 20 5.791 2.177 3.937 160 3HD1 LEU 20 3HD1 LEU 20 4.113 2.126 3.400 161 1HD2 LEU 20 1HD2 LEU 20 5.240 2.618 7.210 162 2HD2 LEU 20 2HD2 LEU 20 4.243 1.345 6.510 163 3HD2 LEU 20 3HD2 LEU 20 5.864 1.641 5.881 164 HA PRO 21 HA PRO 21 4.200 9.136 7.383 165 1HB PRO 21 1HB PRO 21 6.261 10.328 6.034 166 2HB PRO 21 2HB PRO 21 6.376 9.752 7.708 167 1HG PRO 21 1HG PRO 21 7.555 8.610 5.256 168 2HG PRO 21 2HG PRO 21 8.055 8.417 6.940 169 1HD PRO 21 1HD PRO 21 6.583 6.542 5.363 170 2HD PRO 21 2HD PRO 21 6.949 6.429 7.101 171 H GLN 22 H GLN 22 2.726 10.188 6.202 172 HA GLN 22 HA GLN 22 2.041 9.491 3.559 173 1HB GLN 22 1HB GLN 22 0.485 10.561 5.189 174 2HB GLN 22 2HB GLN 22 1.380 12.068 5.007 175 1HG GLN 22 1HG GLN 22 0.470 10.755 2.496 176 2HG GLN 22 2HG GLN 22 -0.781 11.478 3.506 177 2HE2 GLN 22 2HE2 GLN 22 -0.847 12.971 1.456 178 1HE2 GLN 22 1HE2 GLN 22 0.172 14.328 1.484 179 H VAL 23 H VAL 23 4.194 11.908 4.878 180 HA VAL 23 HA VAL 23 4.480 13.560 2.631 181 HB VAL 23 HB VAL 23 5.331 14.269 4.779 182 1HG1 VAL 23 1HG1 VAL 23 6.954 11.742 4.579 183 2HG1 VAL 23 2HG1 VAL 23 7.465 13.069 5.620 184 3HG1 VAL 23 3HG1 VAL 23 5.911 12.284 5.893 185 1HG2 VAL 23 1HG2 VAL 23 6.577 15.025 2.726 186 2HG2 VAL 23 2HG2 VAL 23 7.554 15.020 4.195 187 3HG2 VAL 23 3HG2 VAL 23 7.732 13.723 3.014 188 H LEU 24 H LEU 24 5.879 10.465 3.423 189 HA LEU 24 HA LEU 24 7.773 10.538 1.225 190 1HB LEU 24 1HB LEU 24 8.568 9.295 3.023 191 2HB LEU 24 2HB LEU 24 7.004 8.604 3.371 192 HG LEU 24 HG LEU 24 8.858 7.056 2.485 193 1HD1 LEU 24 1HD1 LEU 24 6.183 6.862 2.486 194 2HD1 LEU 24 2HD1 LEU 24 6.448 6.819 0.744 195 3HD1 LEU 24 3HD1 LEU 24 7.211 5.613 1.782 196 1HD2 LEU 24 1HD2 LEU 24 8.961 8.926 0.439 197 2HD2 LEU 24 2HD2 LEU 24 9.633 7.298 0.366 198 3HD2 LEU 24 3HD2 LEU 24 8.023 7.618 -0.277 199 H LEU 25 H LEU 25 4.742 8.956 2.043 200 HA LEU 25 HA LEU 25 4.488 7.345 -0.241 201 1HB LEU 25 1HB LEU 25 3.080 7.604 2.033 202 2HB LEU 25 2HB LEU 25 2.019 8.459 0.939 203 HG LEU 25 HG LEU 25 1.705 6.491 -0.408 204 1HD1 LEU 25 1HD1 LEU 25 4.117 5.571 1.070 205 2HD1 LEU 25 2HD1 LEU 25 2.901 4.342 0.719 206 3HD1 LEU 25 3HD1 LEU 25 3.632 5.260 -0.596 207 1HD2 LEU 25 1HD2 LEU 25 1.499 6.173 2.575 208 2HD2 LEU 25 2HD2 LEU 25 0.212 6.381 1.387 209 3HD2 LEU 25 3HD2 LEU 25 1.042 4.832 1.524 210 H SER 26 H SER 26 2.930 7.560 -2.007 211 HA SER 26 HA SER 26 2.656 10.379 -2.887 212 1HB SER 26 1HB SER 26 4.305 8.668 -4.099 213 2HB SER 26 2HB SER 26 2.812 8.199 -4.909 214 HG SER 26 HG SER 26 3.839 9.896 -6.013 215 H SER 27 H SER 27 1.427 7.157 -3.833 216 HA SER 27 HA SER 27 -1.328 8.045 -3.413 217 1HB SER 27 1HB SER 27 -0.869 6.834 -6.075 218 2HB SER 27 2HB SER 27 -2.026 8.063 -5.583 219 HG SER 27 HG SER 27 -0.648 9.346 -6.536 220 H TRP 28 H TRP 28 -2.588 5.949 -4.792 221 HA TRP 28 HA TRP 28 -1.341 3.441 -4.046 222 1HB TRP 28 1HB TRP 28 -3.355 2.792 -2.609 223 2HB TRP 28 2HB TRP 28 -2.163 3.857 -1.881 224 HD1 TRP 28 HD1 TRP 28 -2.790 6.539 -1.888 225 HE1 TRP 28 HE1 TRP 28 -5.093 7.677 -1.648 226 HE3 TRP 28 HE3 TRP 28 -5.842 2.607 -3.051 227 HZ2 TRP 28 HZ2 TRP 28 -7.860 6.999 -1.926 228 HZ3 TRP 28 HZ3 TRP 28 -8.299 2.883 -3.053 229 HH2 TRP 28 HH2 TRP 28 -9.311 5.070 -2.489 230 H TYR 29 H TYR 29 -2.427 1.610 -4.808 231 HA TYR 29 HA TYR 29 -4.745 2.143 -6.548 232 1HB TYR 29 1HB TYR 29 -3.850 0.791 -8.330 233 2HB TYR 29 2HB TYR 29 -2.657 2.018 -7.927 234 HD1 TYR 29 HD1 TYR 29 -0.701 1.356 -6.388 235 HD2 TYR 29 HD2 TYR 29 -3.331 -1.506 -8.219 236 HE1 TYR 29 HE1 TYR 29 0.984 -0.424 -6.031 237 HE2 TYR 29 HE2 TYR 29 -1.643 -3.286 -7.859 238 HH TYR 29 HH TYR 29 0.837 -3.429 -7.550 239 HA PRO 30 HA PRO 30 -6.250 -1.394 -4.343 240 1HB PRO 30 1HB PRO 30 -8.492 -1.896 -5.823 241 2HB PRO 30 2HB PRO 30 -8.348 -0.557 -4.674 242 1HG PRO 30 1HG PRO 30 -8.323 -0.503 -7.633 243 2HG PRO 30 2HG PRO 30 -8.798 0.758 -6.487 244 1HD PRO 30 1HD PRO 30 -6.339 0.603 -7.895 245 2HD PRO 30 2HD PRO 30 -6.721 1.703 -6.551 246 H THR 31 H THR 31 -6.345 -3.639 -4.433 247 HA THR 31 HA THR 31 -5.278 -4.851 -6.901 248 HB THR 31 HB THR 31 -3.913 -5.198 -4.898 249 HG1 THR 31 HG1 THR 31 -3.849 -6.920 -6.232 250 1HG2 THR 31 1HG2 THR 31 -6.508 -6.245 -3.769 251 2HG2 THR 31 2HG2 THR 31 -4.946 -6.673 -3.073 252 3HG2 THR 31 3HG2 THR 31 -5.461 -4.986 -3.113 253 H SER 32 H SER 32 -5.965 -7.428 -6.681 254 HA SER 32 HA SER 32 -8.607 -7.544 -7.617 255 1HB SER 32 1HB SER 32 -6.583 -9.555 -6.766 256 2HB SER 32 2HB SER 32 -8.255 -10.089 -6.897 257 HG SER 32 HG SER 32 -7.949 -10.114 -8.966 258 H GLN 33 H GLN 33 -10.538 -8.130 -6.700 259 HA GLN 33 HA GLN 33 -10.688 -7.849 -3.784 260 1HB GLN 33 1HB GLN 33 -12.176 -6.549 -5.430 261 2HB GLN 33 2HB GLN 33 -13.035 -8.073 -5.658 262 1HG GLN 33 1HG GLN 33 -14.222 -6.998 -3.916 263 2HG GLN 33 2HG GLN 33 -13.185 -8.155 -3.081 264 2HE2 GLN 33 2HE2 GLN 33 -13.238 -4.708 -4.119 265 1HE2 GLN 33 1HE2 GLN 33 -12.293 -4.151 -2.824 266 H LEU 34 H LEU 34 -11.154 -10.203 -6.320 267 HA LEU 34 HA LEU 34 -12.523 -12.085 -4.582 268 1HB LEU 34 1HB LEU 34 -11.419 -12.430 -7.369 269 2HB LEU 34 2HB LEU 34 -12.387 -13.608 -6.514 270 HG LEU 34 HG LEU 34 -13.838 -12.524 -8.054 271 1HD1 LEU 34 1HD1 LEU 34 -14.511 -12.702 -5.521 272 2HD1 LEU 34 2HD1 LEU 34 -14.422 -10.941 -5.567 273 3HD1 LEU 34 3HD1 LEU 34 -15.540 -11.796 -6.630 274 1HD2 LEU 34 1HD2 LEU 34 -12.132 -10.465 -8.060 275 2HD2 LEU 34 2HD2 LEU 34 -13.807 -10.276 -8.581 276 3HD2 LEU 34 3HD2 LEU 34 -13.329 -9.794 -6.952 277 H CYS 35 H CYS 35 -10.426 -11.619 -3.176 278 HA CYS 35 HA CYS 35 -8.621 -13.911 -3.654 279 1HB CYS 35 1HB CYS 35 -7.790 -11.216 -2.549 280 2HB CYS 35 2HB CYS 35 -6.742 -12.615 -2.792 281 H SER 36 H SER 36 -7.508 -14.622 -1.647 282 HA SER 36 HA SER 36 -9.363 -15.152 0.409 283 1HB SER 36 1HB SER 36 -7.252 -16.473 -0.173 284 2HB SER 36 2HB SER 36 -6.367 -15.264 0.752 285 HG SER 36 HG SER 36 -6.981 -16.302 2.461 286 H LYS 37 H LYS 37 -6.926 -12.663 0.012 287 HA LYS 37 HA LYS 37 -8.109 -11.144 2.197 288 1HB LYS 37 1HB LYS 37 -5.878 -10.745 3.265 289 2HB LYS 37 2HB LYS 37 -6.463 -12.399 3.442 290 1HG LYS 37 1HG LYS 37 -5.081 -12.562 1.073 291 2HG LYS 37 2HG LYS 37 -4.121 -11.380 1.962 292 1HD LYS 37 1HD LYS 37 -4.964 -14.075 3.067 293 2HD LYS 37 2HD LYS 37 -3.382 -13.736 2.367 294 1HE LYS 37 1HE LYS 37 -2.694 -12.513 4.174 295 2HE LYS 37 2HE LYS 37 -4.302 -11.852 4.470 296 1HZ LYS 37 1HZ LYS 37 -3.577 -14.677 5.000 297 2HZ LYS 37 2HZ LYS 37 -3.488 -13.458 6.177 298 3HZ LYS 37 3HZ LYS 37 -4.987 -13.862 5.483 299 HA PRO 38 HA PRO 38 -6.633 -8.497 -1.244 300 1HB PRO 38 1HB PRO 38 -8.902 -6.989 -1.439 301 2HB PRO 38 2HB PRO 38 -8.680 -8.542 -2.260 302 1HG PRO 38 1HG PRO 38 -10.351 -7.886 0.089 303 2HG PRO 38 2HG PRO 38 -10.528 -9.191 -1.092 304 1HD PRO 38 1HD PRO 38 -9.457 -9.410 1.537 305 2HD PRO 38 2HD PRO 38 -9.442 -10.661 0.272 306 H GLY 39 H GLY 39 -6.988 -5.922 -1.412 307 1HA GLY 39 1HA GLY 39 -5.704 -4.807 0.889 308 2HA GLY 39 2HA GLY 39 -7.382 -4.283 0.777 309 H VAL 40 H VAL 40 -4.572 -3.034 0.312 310 HA VAL 40 HA VAL 40 -4.811 -2.136 -2.458 311 HB VAL 40 HB VAL 40 -4.856 -0.107 -0.220 312 1HG1 VAL 40 1HG1 VAL 40 -4.004 0.179 -2.784 313 2HG1 VAL 40 2HG1 VAL 40 -5.717 0.536 -2.975 314 3HG1 VAL 40 3HG1 VAL 40 -4.740 1.476 -1.849 315 1HG2 VAL 40 1HG2 VAL 40 -7.098 -1.191 -1.939 316 2HG2 VAL 40 2HG2 VAL 40 -6.989 -1.231 -0.179 317 3HG2 VAL 40 3HG2 VAL 40 -7.213 0.306 -1.013 318 H ILE 41 H ILE 41 -2.918 -1.412 -3.297 319 HA ILE 41 HA ILE 41 -0.560 -1.650 -1.555 320 HB ILE 41 HB ILE 41 -0.931 -1.865 -4.548 321 1HG1 ILE 41 1HG1 ILE 41 0.192 -4.112 -4.003 322 2HG1 ILE 41 2HG1 ILE 41 -0.128 -3.725 -2.312 323 1HG2 ILE 41 1HG2 ILE 41 1.182 -0.636 -4.073 324 2HG2 ILE 41 2HG2 ILE 41 1.674 -1.941 -2.992 325 3HG2 ILE 41 3HG2 ILE 41 1.494 -2.248 -4.719 326 1HD1 ILE 41 1HD1 ILE 41 -2.407 -3.415 -4.197 327 2HD1 ILE 41 2HD1 ILE 41 -1.893 -5.065 -3.844 328 3HD1 ILE 41 3HD1 ILE 41 -2.394 -3.998 -2.533 329 H PHE 42 H PHE 42 0.018 0.243 -0.710 330 HA PHE 42 HA PHE 42 -0.502 2.757 -2.055 331 1HB PHE 42 1HB PHE 42 0.604 1.922 0.593 332 2HB PHE 42 2HB PHE 42 1.046 3.517 -0.014 333 HD1 PHE 42 HD1 PHE 42 -1.807 1.323 0.898 334 HD2 PHE 42 HD2 PHE 42 -0.548 5.303 -0.115 335 HE1 PHE 42 HE1 PHE 42 -4.028 2.200 1.579 336 HE2 PHE 42 HE2 PHE 42 -2.766 6.178 0.562 337 HZ PHE 42 HZ PHE 42 -4.509 4.629 1.414 338 H LEU 43 H LEU 43 0.829 3.706 -3.466 339 HA LEU 43 HA LEU 43 3.546 2.641 -3.785 340 1HB LEU 43 1HB LEU 43 3.524 4.234 -5.789 341 2HB LEU 43 2HB LEU 43 2.541 2.789 -5.868 342 HG LEU 43 HG LEU 43 1.216 5.261 -4.874 343 1HD1 LEU 43 1HD1 LEU 43 2.566 6.084 -6.777 344 2HD1 LEU 43 2HD1 LEU 43 1.908 4.802 -7.793 345 3HD1 LEU 43 3HD1 LEU 43 0.848 6.068 -7.174 346 1HD2 LEU 43 1HD2 LEU 43 0.189 2.925 -5.224 347 2HD2 LEU 43 2HD2 LEU 43 -0.684 4.288 -5.924 348 3HD2 LEU 43 3HD2 LEU 43 0.314 3.259 -6.951 349 H THR 44 H THR 44 5.282 3.667 -3.027 350 HA THR 44 HA THR 44 4.957 6.232 -1.726 351 HB THR 44 HB THR 44 7.233 5.945 -0.984 352 HG1 THR 44 HG1 THR 44 7.275 3.892 -2.932 353 1HG2 THR 44 1HG2 THR 44 5.591 3.412 -0.999 354 2HG2 THR 44 2HG2 THR 44 7.098 3.549 -0.094 355 3HG2 THR 44 3HG2 THR 44 5.740 4.604 0.292 356 H LYS 45 H LYS 45 6.625 7.962 -2.137 357 HA LYS 45 HA LYS 45 6.391 8.941 -4.755 358 1HB LYS 45 1HB LYS 45 8.183 9.660 -2.448 359 2HB LYS 45 2HB LYS 45 8.360 10.457 -4.012 360 1HG LYS 45 1HG LYS 45 6.322 11.523 -3.858 361 2HG LYS 45 2HG LYS 45 5.605 10.237 -2.886 362 1HD LYS 45 1HD LYS 45 5.869 11.764 -1.200 363 2HD LYS 45 2HD LYS 45 7.502 11.098 -1.162 364 1HE LYS 45 1HE LYS 45 6.968 13.306 -3.097 365 2HE LYS 45 2HE LYS 45 7.063 13.730 -1.388 366 1HZ LYS 45 1HZ LYS 45 9.119 12.175 -2.860 367 2HZ LYS 45 2HZ LYS 45 9.224 13.833 -2.520 368 3HZ LYS 45 3HZ LYS 45 9.215 12.705 -1.249 369 H ARG 46 H ARG 46 9.352 7.761 -3.147 370 HA ARG 46 HA ARG 46 10.322 6.871 -5.798 371 1HB ARG 46 1HB ARG 46 11.455 8.958 -4.957 372 2HB ARG 46 2HB ARG 46 12.065 7.996 -3.609 373 1HG ARG 46 1HG ARG 46 13.471 6.741 -4.959 374 2HG ARG 46 2HG ARG 46 12.463 6.961 -6.390 375 1HD ARG 46 1HD ARG 46 14.213 9.068 -5.092 376 2HD ARG 46 2HD ARG 46 14.526 8.255 -6.622 377 HE ARG 46 HE ARG 46 12.061 9.388 -6.981 378 1HH1 ARG 46 1HH1 ARG 46 15.184 10.605 -5.966 379 2HH1 ARG 46 2HH1 ARG 46 14.905 12.185 -6.612 380 1HH2 ARG 46 1HH2 ARG 46 11.740 11.462 -7.809 381 2HH2 ARG 46 2HH2 ARG 46 12.973 12.667 -7.647 382 H GLY 47 H GLY 47 9.379 5.812 -2.798 383 1HA GLY 47 1HA GLY 47 9.937 4.012 -1.454 384 2HA GLY 47 2HA GLY 47 11.484 3.912 -2.290 385 H ARG 48 H ARG 48 8.475 2.492 -1.863 386 HA ARG 48 HA ARG 48 8.374 1.155 -4.451 387 1HB ARG 48 1HB ARG 48 9.486 -0.102 -2.009 388 2HB ARG 48 2HB ARG 48 8.320 -1.075 -2.903 389 1HG ARG 48 1HG ARG 48 10.151 -1.660 -4.135 390 2HG ARG 48 2HG ARG 48 9.831 -0.133 -4.957 391 1HD ARG 48 1HD ARG 48 11.289 0.779 -2.876 392 2HD ARG 48 2HD ARG 48 11.978 -0.833 -3.026 393 HE ARG 48 HE ARG 48 11.795 0.563 -5.547 394 1HH1 ARG 48 1HH1 ARG 48 13.724 0.086 -2.665 395 2HH1 ARG 48 2HH1 ARG 48 15.200 0.550 -3.439 396 1HH2 ARG 48 1HH2 ARG 48 13.742 1.159 -6.517 397 2HH2 ARG 48 2HH2 ARG 48 15.212 1.152 -5.601 398 H GLN 49 H GLN 49 6.709 -0.855 -4.023 399 HA GLN 49 HA GLN 49 4.219 0.431 -3.393 400 1HB GLN 49 1HB GLN 49 5.088 -2.204 -4.448 401 2HB GLN 49 2HB GLN 49 3.541 -2.179 -3.603 402 1HG GLN 49 1HG GLN 49 3.032 -1.713 -5.888 403 2HG GLN 49 2HG GLN 49 2.940 -0.162 -5.055 404 2HE2 GLN 49 2HE2 GLN 49 4.725 -2.009 -7.445 405 1HE2 GLN 49 1HE2 GLN 49 5.784 -0.760 -7.894 406 H VAL 50 H VAL 50 2.629 -0.609 -1.873 407 HA VAL 50 HA VAL 50 3.805 -2.012 0.402 408 HB VAL 50 HB VAL 50 2.551 0.731 0.682 409 1HG1 VAL 50 1HG1 VAL 50 3.350 -1.364 2.710 410 2HG1 VAL 50 2HG1 VAL 50 3.259 0.345 3.132 411 3HG1 VAL 50 3HG1 VAL 50 1.816 -0.503 2.577 412 1HG2 VAL 50 1HG2 VAL 50 5.343 -0.347 1.143 413 2HG2 VAL 50 2HG2 VAL 50 4.855 0.893 -0.012 414 3HG2 VAL 50 3HG2 VAL 50 4.800 1.230 1.719 415 H CYS 51 H CYS 51 2.436 -3.687 0.451 416 HA CYS 51 HA CYS 51 -0.354 -3.507 -0.189 417 1HB CYS 51 1HB CYS 51 1.247 -5.646 1.243 418 2HB CYS 51 2HB CYS 51 -0.450 -5.814 0.794 419 H ALA 52 H ALA 52 -1.605 -2.228 1.080 420 HA ALA 52 HA ALA 52 -1.345 -2.570 4.015 421 1HB ALA 52 1HB ALA 52 -0.858 -0.260 2.793 422 2HB ALA 52 2HB ALA 52 -2.615 -0.125 2.874 423 3HB ALA 52 3HB ALA 52 -1.676 -0.321 4.354 424 H ASP 53 H ASP 53 -3.126 -3.008 5.183 425 HA ASP 53 HA ASP 53 -5.547 -3.738 3.728 426 1HB ASP 53 1HB ASP 53 -5.012 -3.926 6.702 427 2HB ASP 53 2HB ASP 53 -6.281 -4.748 5.793 428 H LYS 54 H LYS 54 -7.269 -2.457 3.552 429 HA LYS 54 HA LYS 54 -7.336 0.193 4.460 430 1HB LYS 54 1HB LYS 54 -9.766 0.120 3.887 431 2HB LYS 54 2HB LYS 54 -8.730 -0.510 2.605 432 1HG LYS 54 1HG LYS 54 -9.267 -2.764 3.128 433 2HG LYS 54 2HG LYS 54 -9.961 -2.319 4.688 434 1HD LYS 54 1HD LYS 54 -11.621 -0.892 3.255 435 2HD LYS 54 2HD LYS 54 -11.113 -1.947 1.935 436 1HE LYS 54 1HE LYS 54 -12.291 -2.840 4.583 437 2HE LYS 54 2HE LYS 54 -13.100 -2.882 3.017 438 1HZ LYS 54 1HZ LYS 54 -11.170 -4.311 2.274 439 2HZ LYS 54 2HZ LYS 54 -10.772 -4.470 3.914 440 3HZ LYS 54 3HZ LYS 54 -12.273 -5.029 3.349 441 H SER 55 H SER 55 -8.290 -2.772 6.028 442 HA SER 55 HA SER 55 -10.054 -1.788 7.974 443 1HB SER 55 1HB SER 55 -8.881 -3.761 9.343 444 2HB SER 55 2HB SER 55 -10.014 -4.079 8.033 445 HG SER 55 HG SER 55 -7.364 -4.615 8.208 446 H LYS 56 H LYS 56 -6.585 -1.546 7.691 447 HA LYS 56 HA LYS 56 -5.877 -1.035 10.357 448 1HB LYS 56 1HB LYS 56 -4.711 -0.285 7.702 449 2HB LYS 56 2HB LYS 56 -4.071 0.469 9.163 450 1HG LYS 56 1HG LYS 56 -4.434 -2.518 9.008 451 2HG LYS 56 2HG LYS 56 -2.985 -1.751 8.359 452 1HD LYS 56 1HD LYS 56 -2.753 -0.590 10.624 453 2HD LYS 56 2HD LYS 56 -3.988 -1.704 11.211 454 1HE LYS 56 1HE LYS 56 -2.500 -3.578 10.255 455 2HE LYS 56 2HE LYS 56 -1.233 -2.354 10.160 456 1HZ LYS 56 1HZ LYS 56 -2.752 -2.813 12.652 457 2HZ LYS 56 2HZ LYS 56 -1.378 -3.737 12.271 458 3HZ LYS 56 3HZ LYS 56 -1.249 -2.053 12.454 459 H ASP 57 H ASP 57 -4.843 1.324 10.791 460 HA ASP 57 HA ASP 57 -7.120 3.193 10.533 461 1HB ASP 57 1HB ASP 57 -6.160 4.299 12.560 462 2HB ASP 57 2HB ASP 57 -6.677 2.636 12.847 463 H TRP 58 H TRP 58 -3.584 2.941 10.396 464 HA TRP 58 HA TRP 58 -3.223 5.692 9.675 465 1HB TRP 58 1HB TRP 58 -0.905 5.049 9.148 466 2HB TRP 58 2HB TRP 58 -1.402 4.469 10.734 467 HD1 TRP 58 HD1 TRP 58 -1.737 1.857 11.053 468 HE1 TRP 58 HE1 TRP 58 -0.890 -0.161 9.689 469 HE3 TRP 58 HE3 TRP 58 -0.420 4.209 6.725 470 HZ2 TRP 58 HZ2 TRP 58 0.206 -0.705 7.086 471 HZ3 TRP 58 HZ3 TRP 58 0.523 2.931 4.827 472 HH2 TRP 58 HH2 TRP 58 0.836 0.483 5.003 473 H VAL 59 H VAL 59 -3.808 2.731 7.923 474 HA VAL 59 HA VAL 59 -3.032 3.706 5.351 475 HB VAL 59 HB VAL 59 -5.015 1.513 6.008 476 1HG1 VAL 59 1HG1 VAL 59 -4.981 2.389 3.646 477 2HG1 VAL 59 2HG1 VAL 59 -3.278 1.944 3.559 478 3HG1 VAL 59 3HG1 VAL 59 -4.505 0.697 3.781 479 1HG2 VAL 59 1HG2 VAL 59 -2.765 1.244 7.090 480 2HG2 VAL 59 2HG2 VAL 59 -3.115 -0.001 5.891 481 3HG2 VAL 59 3HG2 VAL 59 -2.032 1.331 5.488 482 H LYS 60 H LYS 60 -5.969 3.784 7.268 483 HA LYS 60 HA LYS 60 -7.730 4.661 5.210 484 1HB LYS 60 1HB LYS 60 -8.284 3.760 7.594 485 2HB LYS 60 2HB LYS 60 -8.068 5.438 8.095 486 1HG LYS 60 1HG LYS 60 -9.772 6.178 6.525 487 2HG LYS 60 2HG LYS 60 -9.923 4.549 5.868 488 1HD LYS 60 1HD LYS 60 -10.359 3.996 8.466 489 2HD LYS 60 2HD LYS 60 -10.946 5.659 8.434 490 1HE LYS 60 1HE LYS 60 -11.837 3.463 6.542 491 2HE LYS 60 2HE LYS 60 -12.756 4.036 7.934 492 1HZ LYS 60 1HZ LYS 60 -12.752 6.259 6.944 493 2HZ LYS 60 2HZ LYS 60 -11.943 5.651 5.579 494 3HZ LYS 60 3HZ LYS 60 -13.514 5.121 5.939 495 H LYS 61 H LYS 61 -5.697 6.313 7.583 496 HA LYS 61 HA LYS 61 -6.524 8.956 7.091 497 1HB LYS 61 1HB LYS 61 -4.885 7.980 8.897 498 2HB LYS 61 2HB LYS 61 -3.652 8.334 7.687 499 1HG LYS 61 1HG LYS 61 -4.097 10.641 7.722 500 2HG LYS 61 2HG LYS 61 -5.696 10.415 8.432 501 1HD LYS 61 1HD LYS 61 -3.349 9.461 10.008 502 2HD LYS 61 2HD LYS 61 -3.608 11.203 9.907 503 1HE LYS 61 1HE LYS 61 -4.970 10.784 11.707 504 2HE LYS 61 2HE LYS 61 -6.133 10.431 10.430 505 1HZ LYS 61 1HZ LYS 61 -4.343 8.325 11.455 506 2HZ LYS 61 2HZ LYS 61 -5.777 8.711 12.278 507 3HZ LYS 61 3HZ LYS 61 -5.843 8.165 10.674 508 H LEU 62 H LEU 62 -4.216 6.871 5.440 509 HA LEU 62 HA LEU 62 -3.040 8.831 3.764 510 1HB LEU 62 1HB LEU 62 -3.531 5.919 3.161 511 2HB LEU 62 2HB LEU 62 -2.443 6.978 2.300 512 HG LEU 62 HG LEU 62 -2.054 6.453 5.230 513 1HD1 LEU 62 1HD1 LEU 62 -2.251 4.348 3.631 514 2HD1 LEU 62 2HD1 LEU 62 -0.639 4.854 3.124 515 3HD1 LEU 62 3HD1 LEU 62 -0.947 4.450 4.812 516 1HD2 LEU 62 1HD2 LEU 62 -0.477 7.496 2.897 517 2HD2 LEU 62 2HD2 LEU 62 -0.602 8.144 4.533 518 3HD2 LEU 62 3HD2 LEU 62 0.381 6.712 4.224 519 H MET 63 H MET 63 -5.794 6.652 3.339 520 HA MET 63 HA MET 63 -6.545 7.181 0.747 521 1HB MET 63 1HB MET 63 -7.853 6.202 3.163 522 2HB MET 63 2HB MET 63 -8.973 7.080 2.120 523 1HG MET 63 1HG MET 63 -9.114 5.003 1.143 524 2HG MET 63 2HG MET 63 -7.753 5.642 0.238 525 1HE MET 63 1HE MET 63 -7.737 3.282 -0.349 526 2HE MET 63 2HE MET 63 -6.010 3.620 -0.285 527 3HE MET 63 3HE MET 63 -6.635 2.126 0.409 528 H GLN 64 H GLN 64 -7.248 9.092 3.636 529 HA GLN 64 HA GLN 64 -8.810 11.053 2.204 530 1HB GLN 64 1HB GLN 64 -8.690 10.418 4.811 531 2HB GLN 64 2HB GLN 64 -7.543 11.759 4.800 532 1HG GLN 64 1HG GLN 64 -9.454 12.999 5.057 533 2HG GLN 64 2HG GLN 64 -9.507 12.849 3.301 534 2HE2 GLN 64 2HE2 GLN 64 -11.100 11.420 2.370 535 1HE2 GLN 64 1HE2 GLN 64 -12.334 10.719 3.299 536 H GLN 65 H GLN 65 -5.450 10.579 3.010 537 HA GLN 65 HA GLN 65 -4.628 13.285 2.499 538 1HB GLN 65 1HB GLN 65 -3.272 10.696 3.087 539 2HB GLN 65 2HB GLN 65 -2.323 11.986 2.353 540 1HG GLN 65 1HG GLN 65 -4.031 12.904 4.569 541 2HG GLN 65 2HG GLN 65 -2.819 11.723 5.057 542 2HE2 GLN 65 2HE2 GLN 65 -1.095 12.906 5.904 543 1HE2 GLN 65 1HE2 GLN 65 -0.393 14.259 5.157 544 H LEU 66 H LEU 66 -4.109 10.207 0.770 545 HA LEU 66 HA LEU 66 -3.382 11.714 -1.648 546 1HB LEU 66 1HB LEU 66 -3.357 8.733 -1.456 547 2HB LEU 66 2HB LEU 66 -2.363 9.785 -2.439 548 HG LEU 66 HG LEU 66 -2.112 9.583 0.569 549 1HD1 LEU 66 1HD1 LEU 66 -1.619 7.412 -0.507 550 2HD1 LEU 66 2HD1 LEU 66 -0.496 8.214 -1.605 551 3HD1 LEU 66 3HD1 LEU 66 -0.151 8.158 0.122 552 1HD2 LEU 66 1HD2 LEU 66 -0.790 11.114 -1.604 553 2HD2 LEU 66 2HD2 LEU 66 -0.972 11.512 0.104 554 3HD2 LEU 66 3HD2 LEU 66 0.293 10.397 -0.410 555 HA PRO 67 HA PRO 67 -7.322 10.816 -3.425 556 1HB PRO 67 1HB PRO 67 -6.707 11.014 -6.089 557 2HB PRO 67 2HB PRO 67 -6.886 12.407 -5.013 558 1HG PRO 67 1HG PRO 67 -4.418 11.189 -6.121 559 2HG PRO 67 2HG PRO 67 -4.732 12.862 -5.637 560 1HD PRO 67 1HD PRO 67 -3.302 10.951 -4.134 561 2HD PRO 67 2HD PRO 67 -3.932 12.499 -3.524 562 H VAL 68 H VAL 68 -5.331 9.424 -6.014 563 HA VAL 68 HA VAL 68 -5.269 6.773 -5.235 564 HB VAL 68 HB VAL 68 -7.923 7.413 -5.589 565 1HG1 VAL 68 1HG1 VAL 68 -7.695 7.704 -8.027 566 2HG1 VAL 68 2HG1 VAL 68 -7.053 6.066 -8.158 567 3HG1 VAL 68 3HG1 VAL 68 -8.717 6.321 -7.633 568 1HG2 VAL 68 1HG2 VAL 68 -6.646 5.346 -4.652 569 2HG2 VAL 68 2HG2 VAL 68 -8.295 5.137 -5.240 570 3HG2 VAL 68 3HG2 VAL 68 -6.930 4.659 -6.251 571 H THR 69 H THR 69 -5.034 5.264 -7.208 572 HA THR 69 HA THR 69 -3.153 6.531 -8.995 573 HB THR 69 HB THR 69 -3.326 4.082 -10.028 574 HG1 THR 69 HG1 THR 69 -4.743 2.998 -8.932 575 1HG2 THR 69 1HG2 THR 69 -1.568 5.368 -8.443 576 2HG2 THR 69 2HG2 THR 69 -2.105 4.122 -7.318 577 3HG2 THR 69 3HG2 THR 69 -1.394 3.666 -8.866 578 H ALA 70 H ALA 70 -6.145 4.652 -9.503 579 HA ALA 70 HA ALA 70 -6.348 5.439 -12.261 580 1HB ALA 70 1HB ALA 70 -8.110 3.977 -12.390 581 2HB ALA 70 2HB ALA 70 -8.740 4.428 -10.806 582 3HB ALA 70 3HB ALA 70 -7.353 3.346 -10.928 583 H ARG 71 H ARG 71 -8.881 6.117 -12.747 584 HA ARG 71 HA ARG 71 -8.980 8.879 -12.169 585 1HB ARG 71 1HB ARG 71 -11.051 6.959 -13.237 586 2HB ARG 71 2HB ARG 71 -11.364 8.685 -13.046 587 1HG ARG 71 1HG ARG 71 -9.031 8.858 -14.348 588 2HG ARG 71 2HG ARG 71 -9.549 7.288 -14.959 589 1HD ARG 71 1HD ARG 71 -11.778 9.121 -15.011 590 2HD ARG 71 2HD ARG 71 -10.400 9.845 -15.830 591 HE ARG 71 HE ARG 71 -10.619 8.255 -17.509 592 1HH1 ARG 71 1HH1 ARG 71 -12.480 7.278 -14.709 593 2HH1 ARG 71 2HH1 ARG 71 -13.241 5.963 -15.533 594 1HH2 ARG 71 1HH2 ARG 71 -11.635 6.531 -18.545 595 2HH2 ARG 71 2HH2 ARG 71 -12.769 5.541 -17.687 No H/Q in entry = 595 Start of MODEL 29 1 H1 LEU 1 H1 LEU 1 13.786 -22.419 -8.579 2 H2 LEU 1 H2 LEU 1 12.506 -23.512 -8.347 3 H3 LEU 1 H3 LEU 1 14.078 -23.935 -7.871 4 HA LEU 1 HA LEU 1 14.815 -24.246 -10.026 5 1HB LEU 1 1HB LEU 1 11.971 -25.141 -9.627 6 2HB LEU 1 2HB LEU 1 12.791 -25.473 -11.153 7 HG LEU 1 HG LEU 1 14.728 -26.302 -9.528 8 1HD1 LEU 1 1HD1 LEU 1 12.960 -25.590 -7.622 9 2HD1 LEU 1 2HD1 LEU 1 12.432 -27.251 -7.886 10 3HD1 LEU 1 3HD1 LEU 1 14.097 -26.921 -7.407 11 1HD2 LEU 1 1HD2 LEU 1 13.295 -27.578 -11.251 12 2HD2 LEU 1 2HD2 LEU 1 13.986 -28.524 -9.933 13 3HD2 LEU 1 3HD2 LEU 1 12.287 -28.051 -9.882 14 H GLY 2 H GLY 2 15.159 -22.089 -10.825 15 1HA GLY 2 1HA GLY 2 13.760 -21.525 -13.228 16 2HA GLY 2 2HA GLY 2 14.945 -20.474 -12.456 17 H ALA 3 H ALA 3 14.130 -18.533 -12.043 18 HA ALA 3 HA ALA 3 11.376 -17.908 -12.036 19 1HB ALA 3 1HB ALA 3 11.230 -17.241 -9.588 20 2HB ALA 3 2HB ALA 3 12.664 -18.233 -9.323 21 3HB ALA 3 3HB ALA 3 11.175 -18.974 -9.910 22 H SER 4 H SER 4 11.334 -15.881 -12.719 23 HA SER 4 HA SER 4 13.643 -14.211 -12.722 24 1HB SER 4 1HB SER 4 12.269 -12.578 -13.800 25 2HB SER 4 2HB SER 4 11.750 -14.147 -14.407 26 HG SER 4 HG SER 4 10.104 -14.074 -12.757 27 H TRP 5 H TRP 5 13.619 -11.959 -11.851 28 HA TRP 5 HA TRP 5 13.465 -11.967 -9.069 29 1HB TRP 5 1HB TRP 5 14.286 -9.823 -9.147 30 2HB TRP 5 2HB TRP 5 14.681 -10.346 -10.775 31 HD1 TRP 5 HD1 TRP 5 13.403 -7.476 -9.125 32 HE1 TRP 5 HE1 TRP 5 11.896 -6.031 -10.634 33 HE3 TRP 5 HE3 TRP 5 12.424 -10.810 -12.877 34 HZ2 TRP 5 HZ2 TRP 5 10.469 -6.251 -13.096 35 HZ3 TRP 5 HZ3 TRP 5 10.992 -10.162 -14.788 36 HH2 TRP 5 HH2 TRP 5 10.012 -7.889 -14.903 37 H HIS 6 H HIS 6 10.948 -11.450 -11.379 38 HA HIS 6 HA HIS 6 9.172 -9.882 -9.860 39 1HB HIS 6 1HB HIS 6 9.052 -10.696 -12.357 40 2HB HIS 6 2HB HIS 6 8.154 -12.046 -11.663 41 HD1 HIS 6 HD1 HIS 6 7.073 -9.485 -13.432 42 HD2 HIS 6 HD2 HIS 6 6.506 -10.214 -9.367 43 HE1 HIS 6 HE1 HIS 6 5.010 -8.183 -12.751 44 H ARG 7 H ARG 7 8.168 -10.319 -8.017 45 HA ARG 7 HA ARG 7 8.167 -13.025 -6.955 46 1HB ARG 7 1HB ARG 7 7.485 -10.315 -5.875 47 2HB ARG 7 2HB ARG 7 6.876 -11.750 -5.051 48 1HG ARG 7 1HG ARG 7 9.230 -12.638 -5.005 49 2HG ARG 7 2HG ARG 7 9.772 -11.084 -5.639 50 1HD ARG 7 1HD ARG 7 8.007 -11.081 -3.229 51 2HD ARG 7 2HD ARG 7 9.689 -11.555 -3.019 52 HE ARG 7 HE ARG 7 9.497 -9.134 -4.522 53 1HH1 ARG 7 1HH1 ARG 7 9.236 -10.416 -1.275 54 2HH1 ARG 7 2HH1 ARG 7 9.680 -8.921 -0.527 55 1HH2 ARG 7 1HH2 ARG 7 10.071 -7.204 -3.506 56 2HH2 ARG 7 2HH2 ARG 7 10.148 -7.116 -1.778 57 HA PRO 8 HA PRO 8 3.983 -13.816 -8.199 58 1HB PRO 8 1HB PRO 8 3.442 -15.943 -6.574 59 2HB PRO 8 2HB PRO 8 4.492 -16.036 -7.996 60 1HG PRO 8 1HG PRO 8 5.211 -16.069 -5.130 61 2HG PRO 8 2HG PRO 8 6.095 -16.712 -6.521 62 1HD PRO 8 1HD PRO 8 6.619 -14.271 -5.141 63 2HD PRO 8 2HD PRO 8 7.378 -14.833 -6.649 64 H ASP 9 H ASP 9 1.742 -14.232 -7.229 65 HA ASP 9 HA ASP 9 -0.020 -13.508 -5.942 66 1HB ASP 9 1HB ASP 9 1.582 -14.715 -4.189 67 2HB ASP 9 2HB ASP 9 1.732 -13.071 -3.569 68 H LYS 10 H LYS 10 -0.759 -11.575 -6.509 69 HA LYS 10 HA LYS 10 0.848 -9.178 -5.921 70 1HB LYS 10 1HB LYS 10 -1.374 -9.781 -7.845 71 2HB LYS 10 2HB LYS 10 -1.071 -8.114 -7.351 72 1HG LYS 10 1HG LYS 10 1.458 -8.855 -7.890 73 2HG LYS 10 2HG LYS 10 0.614 -9.939 -8.995 74 1HD LYS 10 1HD LYS 10 -0.248 -7.078 -8.922 75 2HD LYS 10 2HD LYS 10 1.277 -7.460 -9.726 76 1HE LYS 10 1HE LYS 10 -0.160 -7.775 -11.503 77 2HE LYS 10 2HE LYS 10 -0.213 -9.396 -10.809 78 1HZ LYS 10 1HZ LYS 10 -2.174 -8.710 -9.531 79 2HZ LYS 10 2HZ LYS 10 -2.144 -7.198 -10.306 80 3HZ LYS 10 3HZ LYS 10 -2.433 -8.611 -11.204 81 H CYS 11 H CYS 11 -2.215 -10.739 -5.244 82 HA CYS 11 HA CYS 11 -3.527 -8.588 -3.975 83 1HB CYS 11 1HB CYS 11 -3.799 -11.577 -3.778 84 2HB CYS 11 2HB CYS 11 -4.761 -10.503 -2.760 85 H CYS 12 H CYS 12 -0.857 -10.504 -2.965 86 HA CYS 12 HA CYS 12 0.155 -10.910 -0.933 87 1HB CYS 12 1HB CYS 12 0.833 -8.804 0.199 88 2HB CYS 12 2HB CYS 12 1.110 -8.787 -1.539 89 H LEU 13 H LEU 13 -1.065 -12.175 0.352 90 HA LEU 13 HA LEU 13 -3.406 -11.438 1.721 91 1HB LEU 13 1HB LEU 13 -1.331 -13.548 2.224 92 2HB LEU 13 2HB LEU 13 -2.688 -13.333 3.308 93 HG LEU 13 HG LEU 13 -3.175 -15.121 1.751 94 1HD1 LEU 13 1HD1 LEU 13 -4.872 -13.152 2.344 95 2HD1 LEU 13 2HD1 LEU 13 -4.785 -12.877 0.604 96 3HD1 LEU 13 3HD1 LEU 13 -5.320 -14.439 1.224 97 1HD2 LEU 13 1HD2 LEU 13 -1.578 -14.077 -0.016 98 2HD2 LEU 13 2HD2 LEU 13 -3.019 -14.912 -0.597 99 3HD2 LEU 13 3HD2 LEU 13 -2.989 -13.150 -0.528 100 H GLY 14 H GLY 14 -0.021 -10.996 2.497 101 1HA GLY 14 1HA GLY 14 0.973 -10.270 4.511 102 2HA GLY 14 2HA GLY 14 -0.633 -10.070 5.207 103 H TYR 15 H TYR 15 0.162 -7.982 5.944 104 HA TYR 15 HA TYR 15 0.373 -5.946 3.817 105 1HB TYR 15 1HB TYR 15 -1.388 -5.776 6.274 106 2HB TYR 15 2HB TYR 15 -1.084 -4.449 5.151 107 HD1 TYR 15 HD1 TYR 15 -2.324 -7.980 5.271 108 HD2 TYR 15 HD2 TYR 15 -2.404 -4.206 3.224 109 HE1 TYR 15 HE1 TYR 15 -4.118 -8.825 3.781 110 HE2 TYR 15 HE2 TYR 15 -4.197 -5.050 1.734 111 HH TYR 15 HH TYR 15 -5.943 -7.874 2.381 112 H GLN 16 H GLN 16 0.933 -3.743 4.932 113 HA GLN 16 HA GLN 16 3.481 -4.017 6.107 114 1HB GLN 16 1HB GLN 16 2.469 -1.968 4.883 115 2HB GLN 16 2HB GLN 16 1.800 -1.549 6.453 116 1HG GLN 16 1HG GLN 16 3.914 -0.421 6.280 117 2HG GLN 16 2HG GLN 16 4.134 -1.759 7.405 118 2HE2 GLN 16 2HE2 GLN 16 5.373 -3.636 6.657 119 1HE2 GLN 16 1HE2 GLN 16 6.358 -3.538 5.278 120 H LYS 17 H LYS 17 4.163 -4.179 8.153 121 HA LYS 17 HA LYS 17 2.113 -4.212 10.271 122 1HB LYS 17 1HB LYS 17 3.907 -6.127 9.756 123 2HB LYS 17 2HB LYS 17 4.905 -5.112 10.796 124 1HG LYS 17 1HG LYS 17 2.721 -5.106 12.310 125 2HG LYS 17 2HG LYS 17 2.404 -6.615 11.454 126 1HD LYS 17 1HD LYS 17 5.157 -6.217 12.524 127 2HD LYS 17 2HD LYS 17 3.878 -6.539 13.695 128 1HE LYS 17 1HE LYS 17 3.252 -8.426 11.895 129 2HE LYS 17 2HE LYS 17 4.979 -8.303 11.558 130 1HZ LYS 17 1HZ LYS 17 3.822 -8.696 14.263 131 2HZ LYS 17 2HZ LYS 17 4.432 -9.948 13.290 132 3HZ LYS 17 3HZ LYS 17 5.469 -8.727 13.846 133 H ARG 18 H ARG 18 3.171 -1.762 9.150 134 HA ARG 18 HA ARG 18 3.819 -0.402 11.584 135 1HB ARG 18 1HB ARG 18 6.002 0.514 10.796 136 2HB ARG 18 2HB ARG 18 6.063 -1.218 11.122 137 1HG ARG 18 1HG ARG 18 5.306 -0.447 8.356 138 2HG ARG 18 2HG ARG 18 6.974 -0.113 8.820 139 1HD ARG 18 1HD ARG 18 5.559 -2.787 8.994 140 2HD ARG 18 2HD ARG 18 6.835 -2.351 7.863 141 HE ARG 18 HE ARG 18 7.183 -3.178 10.588 142 1HH1 ARG 18 1HH1 ARG 18 8.517 -1.150 8.067 143 2HH1 ARG 18 2HH1 ARG 18 10.118 -1.197 8.719 144 1HH2 ARG 18 1HH2 ARG 18 9.285 -3.214 11.404 145 2HH2 ARG 18 2HH2 ARG 18 10.551 -2.356 10.592 146 HA PRO 19 HA PRO 19 1.993 2.726 9.041 147 1HB PRO 19 1HB PRO 19 2.392 4.895 10.652 148 2HB PRO 19 2HB PRO 19 1.186 3.640 10.967 149 1HG PRO 19 1HG PRO 19 3.738 4.162 12.345 150 2HG PRO 19 2HG PRO 19 2.296 3.316 12.924 151 1HD PRO 19 1HD PRO 19 4.723 2.134 11.978 152 2HD PRO 19 2HD PRO 19 3.218 1.296 12.421 153 H LEU 20 H LEU 20 2.730 3.678 7.253 154 HA LEU 20 HA LEU 20 5.484 4.698 7.179 155 1HB LEU 20 1HB LEU 20 3.790 4.753 4.746 156 2HB LEU 20 2HB LEU 20 5.482 4.348 4.924 157 HG LEU 20 HG LEU 20 3.101 2.563 5.470 158 1HD1 LEU 20 1HD1 LEU 20 4.256 3.086 3.105 159 2HD1 LEU 20 2HD1 LEU 20 5.380 1.856 3.681 160 3HD1 LEU 20 3HD1 LEU 20 3.665 1.478 3.520 161 1HD2 LEU 20 1HD2 LEU 20 5.935 2.427 6.361 162 2HD2 LEU 20 2HD2 LEU 20 4.493 1.720 7.088 163 3HD2 LEU 20 3HD2 LEU 20 5.257 0.938 5.704 164 HA PRO 21 HA PRO 21 3.979 8.870 7.192 165 1HB PRO 21 1HB PRO 21 6.206 10.149 6.260 166 2HB PRO 21 2HB PRO 21 6.072 9.472 7.892 167 1HG PRO 21 1HG PRO 21 7.621 8.483 5.578 168 2HG PRO 21 2HG PRO 21 7.879 8.209 7.307 169 1HD PRO 21 1HD PRO 21 6.688 6.401 5.443 170 2HD PRO 21 2HD PRO 21 6.792 6.206 7.209 171 H GLN 22 H GLN 22 2.721 10.014 5.836 172 HA GLN 22 HA GLN 22 2.672 9.484 3.018 173 1HB GLN 22 1HB GLN 22 0.706 10.153 4.540 174 2HB GLN 22 2HB GLN 22 1.303 11.803 4.365 175 1HG GLN 22 1HG GLN 22 1.046 10.237 1.853 176 2HG GLN 22 2HG GLN 22 -0.464 10.684 2.646 177 2HE2 GLN 22 2HE2 GLN 22 -0.004 13.192 3.652 178 1HE2 GLN 22 1HE2 GLN 22 0.436 14.272 2.419 179 H VAL 23 H VAL 23 4.614 11.505 4.911 180 HA VAL 23 HA VAL 23 4.863 13.866 3.498 181 HB VAL 23 HB VAL 23 5.952 13.397 5.660 182 1HG1 VAL 23 1HG1 VAL 23 6.771 11.061 4.576 183 2HG1 VAL 23 2HG1 VAL 23 8.235 12.019 4.351 184 3HG1 VAL 23 3HG1 VAL 23 7.563 11.801 5.967 185 1HG2 VAL 23 1HG2 VAL 23 6.777 15.178 4.011 186 2HG2 VAL 23 2HG2 VAL 23 7.915 14.678 5.263 187 3HG2 VAL 23 3HG2 VAL 23 8.081 14.055 3.620 188 H LEU 24 H LEU 24 5.864 10.674 2.535 189 HA LEU 24 HA LEU 24 7.101 11.870 0.136 190 1HB LEU 24 1HB LEU 24 8.909 10.419 0.146 191 2HB LEU 24 2HB LEU 24 8.767 10.943 1.804 192 HG LEU 24 HG LEU 24 9.254 8.668 1.985 193 1HD1 LEU 24 1HD1 LEU 24 7.161 9.333 3.236 194 2HD1 LEU 24 2HD1 LEU 24 6.228 8.615 1.922 195 3HD1 LEU 24 3HD1 LEU 24 7.300 7.609 2.895 196 1HD2 LEU 24 1HD2 LEU 24 8.626 8.442 -0.596 197 2HD2 LEU 24 2HD2 LEU 24 8.714 7.028 0.455 198 3HD2 LEU 24 3HD2 LEU 24 7.150 7.748 0.075 199 H LEU 25 H LEU 25 4.566 10.034 1.169 200 HA LEU 25 HA LEU 25 4.621 7.914 -0.754 201 1HB LEU 25 1HB LEU 25 3.170 8.342 1.460 202 2HB LEU 25 2HB LEU 25 2.034 8.942 0.274 203 HG LEU 25 HG LEU 25 1.932 6.787 -0.809 204 1HD1 LEU 25 1HD1 LEU 25 4.375 6.306 0.819 205 2HD1 LEU 25 2HD1 LEU 25 3.284 4.934 0.619 206 3HD1 LEU 25 3HD1 LEU 25 3.970 5.730 -0.797 207 1HD2 LEU 25 1HD2 LEU 25 1.736 6.788 2.202 208 2HD2 LEU 25 2HD2 LEU 25 0.433 6.881 1.017 209 3HD2 LEU 25 3HD2 LEU 25 1.297 5.363 1.261 210 H SER 26 H SER 26 2.725 7.739 -2.365 211 HA SER 26 HA SER 26 2.420 10.329 -3.769 212 1HB SER 26 1HB SER 26 3.948 8.344 -4.734 213 2HB SER 26 2HB SER 26 2.388 7.824 -5.364 214 HG SER 26 HG SER 26 3.497 9.279 -6.768 215 H SER 27 H SER 27 1.103 7.020 -4.070 216 HA SER 27 HA SER 27 -1.583 7.924 -3.454 217 1HB SER 27 1HB SER 27 -1.424 6.669 -6.131 218 2HB SER 27 2HB SER 27 -2.544 7.880 -5.520 219 HG SER 27 HG SER 27 -0.864 8.542 -7.121 220 H TRP 28 H TRP 28 -3.077 5.914 -4.436 221 HA TRP 28 HA TRP 28 -1.771 3.372 -3.765 222 1HB TRP 28 1HB TRP 28 -3.712 2.788 -2.261 223 2HB TRP 28 2HB TRP 28 -2.621 4.011 -1.614 224 HD1 TRP 28 HD1 TRP 28 -3.472 6.533 -1.558 225 HE1 TRP 28 HE1 TRP 28 -5.840 7.549 -1.622 226 HE3 TRP 28 HE3 TRP 28 -6.125 2.491 -3.222 227 HZ2 TRP 28 HZ2 TRP 28 -8.504 6.748 -2.302 228 HZ3 TRP 28 HZ3 TRP 28 -8.570 2.649 -3.568 229 HH2 TRP 28 HH2 TRP 28 -9.764 4.771 -3.107 230 H TYR 29 H TYR 29 -2.572 1.671 -4.884 231 HA TYR 29 HA TYR 29 -4.967 2.198 -6.537 232 1HB TYR 29 1HB TYR 29 -4.063 0.861 -8.295 233 2HB TYR 29 2HB TYR 29 -2.787 1.965 -7.801 234 HD1 TYR 29 HD1 TYR 29 -0.865 1.123 -6.411 235 HD2 TYR 29 HD2 TYR 29 -3.864 -1.510 -8.006 236 HE1 TYR 29 HE1 TYR 29 0.630 -0.813 -6.030 237 HE2 TYR 29 HE2 TYR 29 -2.365 -3.446 -7.622 238 HH TYR 29 HH TYR 29 0.731 -3.332 -7.275 239 HA PRO 30 HA PRO 30 -6.737 -1.244 -4.406 240 1HB PRO 30 1HB PRO 30 -8.838 -1.771 -6.074 241 2HB PRO 30 2HB PRO 30 -8.778 -0.390 -4.968 242 1HG PRO 30 1HG PRO 30 -8.463 -0.454 -7.912 243 2HG PRO 30 2HG PRO 30 -9.032 0.855 -6.867 244 1HD PRO 30 1HD PRO 30 -6.452 0.630 -8.017 245 2HD PRO 30 2HD PRO 30 -6.943 1.774 -6.746 246 H THR 31 H THR 31 -6.991 -3.504 -4.462 247 HA THR 31 HA THR 31 -5.487 -4.838 -6.598 248 HB THR 31 HB THR 31 -5.900 -6.834 -4.919 249 HG1 THR 31 HG1 THR 31 -7.354 -5.503 -3.667 250 1HG2 THR 31 1HG2 THR 31 -3.984 -4.555 -4.860 251 2HG2 THR 31 2HG2 THR 31 -3.971 -5.650 -3.478 252 3HG2 THR 31 3HG2 THR 31 -3.679 -6.275 -5.101 253 H SER 32 H SER 32 -6.388 -7.271 -6.803 254 HA SER 32 HA SER 32 -8.996 -6.963 -8.057 255 1HB SER 32 1HB SER 32 -6.811 -8.978 -8.130 256 2HB SER 32 2HB SER 32 -8.444 -9.558 -8.444 257 HG SER 32 HG SER 32 -8.617 -7.940 -10.049 258 H GLN 33 H GLN 33 -10.817 -8.245 -7.578 259 HA GLN 33 HA GLN 33 -10.933 -9.092 -4.762 260 1HB GLN 33 1HB GLN 33 -12.603 -7.434 -5.870 261 2HB GLN 33 2HB GLN 33 -13.319 -8.884 -6.574 262 1HG GLN 33 1HG GLN 33 -13.662 -9.848 -4.367 263 2HG GLN 33 2HG GLN 33 -12.818 -8.495 -3.610 264 2HE2 GLN 33 2HE2 GLN 33 -13.954 -6.470 -3.407 265 1HE2 GLN 33 1HE2 GLN 33 -15.607 -6.321 -3.764 266 H LEU 34 H LEU 34 -9.718 -10.729 -6.922 267 HA LEU 34 HA LEU 34 -11.489 -13.086 -6.672 268 1HB LEU 34 1HB LEU 34 -9.582 -12.662 -8.958 269 2HB LEU 34 2HB LEU 34 -10.854 -13.852 -8.821 270 HG LEU 34 HG LEU 34 -11.632 -12.263 -10.386 271 1HD1 LEU 34 1HD1 LEU 34 -13.030 -12.733 -8.090 272 2HD1 LEU 34 2HD1 LEU 34 -12.984 -10.971 -8.094 273 3HD1 LEU 34 3HD1 LEU 34 -13.672 -11.838 -9.466 274 1HD2 LEU 34 1HD2 LEU 34 -9.855 -10.548 -9.446 275 2HD2 LEU 34 2HD2 LEU 34 -11.290 -9.964 -10.287 276 3HD2 LEU 34 3HD2 LEU 34 -11.233 -9.946 -8.525 277 H CYS 35 H CYS 35 -9.582 -12.429 -4.755 278 HA CYS 35 HA CYS 35 -7.477 -14.451 -5.252 279 1HB CYS 35 1HB CYS 35 -7.387 -11.887 -3.663 280 2HB CYS 35 2HB CYS 35 -6.201 -13.174 -3.442 281 H SER 36 H SER 36 -8.652 -12.813 -2.333 282 HA SER 36 HA SER 36 -10.112 -14.959 -1.249 283 1HB SER 36 1HB SER 36 -7.599 -15.798 -1.282 284 2HB SER 36 2HB SER 36 -7.485 -14.803 0.167 285 HG SER 36 HG SER 36 -8.176 -16.728 0.903 286 H LYS 37 H LYS 37 -7.790 -12.420 -0.409 287 HA LYS 37 HA LYS 37 -9.763 -10.883 0.979 288 1HB LYS 37 1HB LYS 37 -8.672 -11.000 3.226 289 2HB LYS 37 2HB LYS 37 -9.440 -12.514 2.745 290 1HG LYS 37 1HG LYS 37 -7.431 -13.605 2.459 291 2HG LYS 37 2HG LYS 37 -6.578 -12.134 1.991 292 1HD LYS 37 1HD LYS 37 -7.613 -12.230 4.777 293 2HD LYS 37 2HD LYS 37 -6.257 -13.295 4.407 294 1HE LYS 37 1HE LYS 37 -4.970 -11.391 3.543 295 2HE LYS 37 2HE LYS 37 -6.332 -10.314 3.850 296 1HZ LYS 37 1HZ LYS 37 -5.082 -11.942 5.983 297 2HZ LYS 37 2HZ LYS 37 -4.542 -10.381 5.601 298 3HZ LYS 37 3HZ LYS 37 -6.131 -10.617 6.154 299 HA PRO 38 HA PRO 38 -5.833 -8.729 -0.325 300 1HB PRO 38 1HB PRO 38 -6.800 -7.405 -2.508 301 2HB PRO 38 2HB PRO 38 -6.095 -9.026 -2.577 302 1HG PRO 38 1HG PRO 38 -8.922 -8.201 -2.814 303 2HG PRO 38 2HG PRO 38 -8.117 -9.655 -3.422 304 1HD PRO 38 1HD PRO 38 -9.757 -9.450 -1.094 305 2HD PRO 38 2HD PRO 38 -8.800 -10.858 -1.613 306 H GLY 39 H GLY 39 -5.714 -6.214 -0.993 307 1HA GLY 39 1HA GLY 39 -6.220 -4.571 1.024 308 2HA GLY 39 2HA GLY 39 -7.825 -4.646 0.299 309 H VAL 40 H VAL 40 -4.858 -3.075 0.280 310 HA VAL 40 HA VAL 40 -4.990 -2.191 -2.498 311 HB VAL 40 HB VAL 40 -5.265 -0.179 -0.255 312 1HG1 VAL 40 1HG1 VAL 40 -4.155 0.225 -2.661 313 2HG1 VAL 40 2HG1 VAL 40 -5.850 0.421 -3.105 314 3HG1 VAL 40 3HG1 VAL 40 -5.140 1.446 -1.857 315 1HG2 VAL 40 1HG2 VAL 40 -7.304 -1.279 -2.203 316 2HG2 VAL 40 2HG2 VAL 40 -7.349 -1.402 -0.444 317 3HG2 VAL 40 3HG2 VAL 40 -7.553 0.166 -1.225 318 H ILE 41 H ILE 41 -3.064 -1.526 -3.256 319 HA ILE 41 HA ILE 41 -0.808 -1.567 -1.362 320 HB ILE 41 HB ILE 41 -1.000 -2.078 -4.334 321 1HG1 ILE 41 1HG1 ILE 41 0.270 -4.176 -3.453 322 2HG1 ILE 41 2HG1 ILE 41 -0.319 -3.659 -1.872 323 1HG2 ILE 41 1HG2 ILE 41 1.491 -1.677 -2.648 324 2HG2 ILE 41 2HG2 ILE 41 1.497 -2.459 -4.229 325 3HG2 ILE 41 3HG2 ILE 41 1.020 -0.766 -4.084 326 1HD1 ILE 41 1HD1 ILE 41 -2.175 -3.935 -4.236 327 2HD1 ILE 41 2HD1 ILE 41 -1.802 -5.304 -3.188 328 3HD1 ILE 41 3HD1 ILE 41 -2.589 -3.872 -2.522 329 H PHE 42 H PHE 42 0.647 0.102 -1.267 330 HA PHE 42 HA PHE 42 -0.273 2.653 -2.410 331 1HB PHE 42 1HB PHE 42 1.427 1.892 -0.062 332 2HB PHE 42 2HB PHE 42 1.648 3.477 -0.801 333 HD1 PHE 42 HD1 PHE 42 -0.133 5.151 -0.765 334 HD2 PHE 42 HD2 PHE 42 -0.667 1.291 1.044 335 HE1 PHE 42 HE1 PHE 42 -2.149 5.984 0.416 336 HE2 PHE 42 HE2 PHE 42 -2.683 2.126 2.224 337 HZ PHE 42 HZ PHE 42 -3.423 4.470 1.911 338 H LEU 43 H LEU 43 1.448 4.166 -3.136 339 HA LEU 43 HA LEU 43 3.823 2.837 -4.250 340 1HB LEU 43 1HB LEU 43 2.311 4.761 -5.957 341 2HB LEU 43 2HB LEU 43 3.452 3.523 -6.429 342 HG LEU 43 HG LEU 43 1.635 1.840 -5.706 343 1HD1 LEU 43 1HD1 LEU 43 0.221 4.467 -5.524 344 2HD1 LEU 43 2HD1 LEU 43 -0.669 3.098 -6.191 345 3HD1 LEU 43 3HD1 LEU 43 0.001 3.005 -4.563 346 1HD2 LEU 43 1HD2 LEU 43 1.260 3.703 -8.067 347 2HD2 LEU 43 2HD2 LEU 43 2.219 2.223 -8.038 348 3HD2 LEU 43 3HD2 LEU 43 0.463 2.139 -7.897 349 H THR 44 H THR 44 5.242 3.953 -2.951 350 HA THR 44 HA THR 44 5.014 6.692 -2.283 351 HB THR 44 HB THR 44 7.354 6.529 -1.593 352 HG1 THR 44 HG1 THR 44 7.237 4.070 -2.995 353 1HG2 THR 44 1HG2 THR 44 5.415 4.351 -0.964 354 2HG2 THR 44 2HG2 THR 44 7.064 4.181 -0.361 355 3HG2 THR 44 3HG2 THR 44 6.099 5.585 0.094 356 H LYS 45 H LYS 45 6.674 8.353 -2.944 357 HA LYS 45 HA LYS 45 6.463 8.899 -5.697 358 1HB LYS 45 1HB LYS 45 8.455 10.013 -3.707 359 2HB LYS 45 2HB LYS 45 8.077 10.709 -5.283 360 1HG LYS 45 1HG LYS 45 6.000 11.458 -4.611 361 2HG LYS 45 2HG LYS 45 5.801 10.166 -3.426 362 1HD LYS 45 1HD LYS 45 6.156 12.099 -2.110 363 2HD LYS 45 2HD LYS 45 7.733 11.307 -2.142 364 1HE LYS 45 1HE LYS 45 8.409 13.424 -2.736 365 2HE LYS 45 2HE LYS 45 7.997 12.823 -4.341 366 1HZ LYS 45 1HZ LYS 45 6.054 14.219 -2.594 367 2HZ LYS 45 2HZ LYS 45 7.018 15.029 -3.730 368 3HZ LYS 45 3HZ LYS 45 5.898 13.861 -4.248 369 H ARG 46 H ARG 46 9.364 8.014 -3.822 370 HA ARG 46 HA ARG 46 10.457 6.755 -6.265 371 1HB ARG 46 1HB ARG 46 11.474 9.030 -5.499 372 2HB ARG 46 2HB ARG 46 12.230 8.058 -4.235 373 1HG ARG 46 1HG ARG 46 12.933 6.487 -6.191 374 2HG ARG 46 2HG ARG 46 12.593 7.880 -7.218 375 1HD ARG 46 1HD ARG 46 14.555 7.756 -4.915 376 2HD ARG 46 2HD ARG 46 14.941 7.928 -6.625 377 HE ARG 46 HE ARG 46 13.319 10.077 -6.066 378 1HH1 ARG 46 1HH1 ARG 46 16.309 8.816 -4.751 379 2HH1 ARG 46 2HH1 ARG 46 16.889 10.375 -4.276 380 1HH2 ARG 46 1HH2 ARG 46 14.114 12.090 -5.430 381 2HH2 ARG 46 2HH2 ARG 46 15.658 12.214 -4.656 382 H GLY 47 H GLY 47 9.400 6.153 -3.177 383 1HA GLY 47 1HA GLY 47 9.886 4.578 -1.563 384 2HA GLY 47 2HA GLY 47 11.497 4.426 -2.255 385 H ARG 48 H ARG 48 8.514 2.953 -1.843 386 HA ARG 48 HA ARG 48 8.667 1.234 -4.195 387 1HB ARG 48 1HB ARG 48 9.611 0.414 -1.508 388 2HB ARG 48 2HB ARG 48 8.559 -0.735 -2.333 389 1HG ARG 48 1HG ARG 48 10.161 -0.134 -4.391 390 2HG ARG 48 2HG ARG 48 11.289 0.212 -3.079 391 1HD ARG 48 1HD ARG 48 9.710 -2.339 -3.031 392 2HD ARG 48 2HD ARG 48 11.133 -2.224 -4.061 393 HE ARG 48 HE ARG 48 11.667 -1.346 -1.378 394 1HH1 ARG 48 1HH1 ARG 48 11.327 -4.174 -3.412 395 2HH1 ARG 48 2HH1 ARG 48 12.341 -5.156 -2.411 396 1HH2 ARG 48 1HH2 ARG 48 12.981 -2.660 -0.102 397 2HH2 ARG 48 2HH2 ARG 48 13.270 -4.308 -0.552 398 H GLN 49 H GLN 49 7.029 -0.763 -3.576 399 HA GLN 49 HA GLN 49 4.506 0.607 -2.988 400 1HB GLN 49 1HB GLN 49 5.261 -1.901 -4.433 401 2HB GLN 49 2HB GLN 49 3.647 -1.774 -3.738 402 1HG GLN 49 1HG GLN 49 3.182 -0.784 -5.753 403 2HG GLN 49 2HG GLN 49 3.805 0.645 -4.928 404 2HE2 GLN 49 2HE2 GLN 49 4.497 -1.738 -7.418 405 1HE2 GLN 49 1HE2 GLN 49 5.928 -1.014 -7.974 406 H VAL 50 H VAL 50 2.908 -0.453 -1.614 407 HA VAL 50 HA VAL 50 3.860 -2.480 0.250 408 HB VAL 50 HB VAL 50 3.101 0.290 1.219 409 1HG1 VAL 50 1HG1 VAL 50 2.303 -1.532 2.700 410 2HG1 VAL 50 2HG1 VAL 50 3.940 -2.185 2.763 411 3HG1 VAL 50 3HG1 VAL 50 3.595 -0.600 3.456 412 1HG2 VAL 50 1HG2 VAL 50 5.717 -1.230 1.143 413 2HG2 VAL 50 2HG2 VAL 50 5.359 0.328 0.400 414 3HG2 VAL 50 3HG2 VAL 50 5.460 0.191 2.155 415 H CYS 51 H CYS 51 2.235 -3.700 1.002 416 HA CYS 51 HA CYS 51 -0.461 -3.187 0.062 417 1HB CYS 51 1HB CYS 51 0.653 -5.397 1.814 418 2HB CYS 51 2HB CYS 51 -0.985 -5.345 1.164 419 H ALA 52 H ALA 52 -2.076 -2.272 1.224 420 HA ALA 52 HA ALA 52 -1.688 -2.019 4.144 421 1HB ALA 52 1HB ALA 52 -1.255 0.097 2.559 422 2HB ALA 52 2HB ALA 52 -3.006 0.233 2.722 423 3HB ALA 52 3HB ALA 52 -1.983 0.248 4.159 424 H ASP 53 H ASP 53 -3.443 -2.322 5.368 425 HA ASP 53 HA ASP 53 -5.964 -2.974 3.978 426 1HB ASP 53 1HB ASP 53 -4.652 -3.953 6.469 427 2HB ASP 53 2HB ASP 53 -6.413 -3.864 6.466 428 H LYS 54 H LYS 54 -7.610 -1.600 4.149 429 HA LYS 54 HA LYS 54 -7.465 0.872 5.435 430 1HB LYS 54 1HB LYS 54 -9.933 -0.705 4.663 431 2HB LYS 54 2HB LYS 54 -9.916 1.008 5.085 432 1HG LYS 54 1HG LYS 54 -8.837 1.622 3.133 433 2HG LYS 54 2HG LYS 54 -8.026 0.064 2.968 434 1HD LYS 54 1HD LYS 54 -9.652 -0.002 1.268 435 2HD LYS 54 2HD LYS 54 -10.418 -0.886 2.587 436 1HE LYS 54 1HE LYS 54 -11.499 1.287 3.295 437 2HE LYS 54 2HE LYS 54 -10.886 2.001 1.802 438 1HZ LYS 54 1HZ LYS 54 -12.062 0.244 0.573 439 2HZ LYS 54 2HZ LYS 54 -12.724 -0.319 2.029 440 3HZ LYS 54 3HZ LYS 54 -13.117 1.234 1.464 441 H SER 55 H SER 55 -8.280 -2.244 6.732 442 HA SER 55 HA SER 55 -9.874 -1.541 8.923 443 1HB SER 55 1HB SER 55 -8.125 -3.808 8.219 444 2HB SER 55 2HB SER 55 -8.397 -3.582 9.943 445 HG SER 55 HG SER 55 -10.245 -4.067 7.871 446 H LYS 56 H LYS 56 -6.425 -1.253 8.398 447 HA LYS 56 HA LYS 56 -5.628 -0.814 11.083 448 1HB LYS 56 1HB LYS 56 -4.369 0.296 8.560 449 2HB LYS 56 2HB LYS 56 -3.594 0.139 10.137 450 1HG LYS 56 1HG LYS 56 -4.805 -2.310 8.921 451 2HG LYS 56 2HG LYS 56 -3.277 -1.724 8.261 452 1HD LYS 56 1HD LYS 56 -2.525 -3.129 9.961 453 2HD LYS 56 2HD LYS 56 -2.577 -1.576 10.796 454 1HE LYS 56 1HE LYS 56 -4.459 -2.136 12.019 455 2HE LYS 56 2HE LYS 56 -5.054 -3.251 10.790 456 1HZ LYS 56 1HZ LYS 56 -3.236 -4.763 11.369 457 2HZ LYS 56 2HZ LYS 56 -2.745 -3.702 12.602 458 3HZ LYS 56 3HZ LYS 56 -4.259 -4.470 12.689 459 H ASP 57 H ASP 57 -4.378 1.547 11.298 460 HA ASP 57 HA ASP 57 -6.595 3.496 11.128 461 1HB ASP 57 1HB ASP 57 -4.293 3.280 13.078 462 2HB ASP 57 2HB ASP 57 -5.368 4.676 12.989 463 H TRP 58 H TRP 58 -3.074 3.143 10.801 464 HA TRP 58 HA TRP 58 -2.717 5.810 9.816 465 1HB TRP 58 1HB TRP 58 -0.442 5.080 9.210 466 2HB TRP 58 2HB TRP 58 -0.847 4.674 10.873 467 HD1 TRP 58 HD1 TRP 58 -1.068 2.141 11.514 468 HE1 TRP 58 HE1 TRP 58 -0.366 -0.028 10.315 469 HE3 TRP 58 HE3 TRP 58 -0.272 3.951 6.812 470 HZ2 TRP 58 HZ2 TRP 58 0.428 -0.890 7.687 471 HZ3 TRP 58 HZ3 TRP 58 0.459 2.446 4.985 472 HH2 TRP 58 HH2 TRP 58 0.804 0.031 5.417 473 H VAL 59 H VAL 59 -3.530 2.746 8.385 474 HA VAL 59 HA VAL 59 -2.848 3.433 5.693 475 HB VAL 59 HB VAL 59 -4.922 1.441 6.643 476 1HG1 VAL 59 1HG1 VAL 59 -3.367 1.798 4.066 477 2HG1 VAL 59 2HG1 VAL 59 -4.276 0.339 4.459 478 3HG1 VAL 59 3HG1 VAL 59 -5.117 1.878 4.276 479 1HG2 VAL 59 1HG2 VAL 59 -2.658 1.105 7.664 480 2HG2 VAL 59 2HG2 VAL 59 -3.134 -0.209 6.589 481 3HG2 VAL 59 3HG2 VAL 59 -1.982 1.009 6.039 482 H LYS 60 H LYS 60 -5.741 3.650 7.693 483 HA LYS 60 HA LYS 60 -7.570 4.457 5.717 484 1HB LYS 60 1HB LYS 60 -7.992 3.805 8.185 485 2HB LYS 60 2HB LYS 60 -7.651 5.498 8.541 486 1HG LYS 60 1HG LYS 60 -9.549 6.254 7.464 487 2HG LYS 60 2HG LYS 60 -9.571 4.904 6.329 488 1HD LYS 60 1HD LYS 60 -10.150 3.414 8.320 489 2HD LYS 60 2HD LYS 60 -10.430 4.900 9.229 490 1HE LYS 60 1HE LYS 60 -12.120 5.610 7.607 491 2HE LYS 60 2HE LYS 60 -11.805 4.180 6.623 492 1HZ LYS 60 1HZ LYS 60 -12.490 2.800 8.495 493 2HZ LYS 60 2HZ LYS 60 -12.828 4.189 9.411 494 3HZ LYS 60 3HZ LYS 60 -13.735 3.847 8.016 495 H LYS 61 H LYS 61 -5.474 6.386 7.848 496 HA LYS 61 HA LYS 61 -6.340 8.915 6.928 497 1HB LYS 61 1HB LYS 61 -4.816 8.265 8.972 498 2HB LYS 61 2HB LYS 61 -3.508 8.474 7.808 499 1HG LYS 61 1HG LYS 61 -3.647 10.656 8.489 500 2HG LYS 61 2HG LYS 61 -4.933 10.710 7.283 501 1HD LYS 61 1HD LYS 61 -5.517 9.911 10.131 502 2HD LYS 61 2HD LYS 61 -5.463 11.609 9.658 503 1HE LYS 61 1HE LYS 61 -7.677 11.246 9.195 504 2HE LYS 61 2HE LYS 61 -7.023 10.640 7.673 505 1HZ LYS 61 1HZ LYS 61 -6.839 8.437 9.000 506 2HZ LYS 61 2HZ LYS 61 -8.019 9.143 9.997 507 3HZ LYS 61 3HZ LYS 61 -8.333 8.902 8.346 508 H LEU 62 H LEU 62 -3.949 6.636 5.743 509 HA LEU 62 HA LEU 62 -2.680 8.372 3.881 510 1HB LEU 62 1HB LEU 62 -2.987 5.383 3.990 511 2HB LEU 62 2HB LEU 62 -2.119 6.191 2.703 512 HG LEU 62 HG LEU 62 -1.394 6.451 5.625 513 1HD1 LEU 62 1HD1 LEU 62 -0.414 4.573 3.463 514 2HD1 LEU 62 2HD1 LEU 62 0.475 4.878 4.955 515 3HD1 LEU 62 3HD1 LEU 62 -1.124 4.139 5.016 516 1HD2 LEU 62 1HD2 LEU 62 -0.266 7.387 3.007 517 2HD2 LEU 62 2HD2 LEU 62 -0.369 8.241 4.546 518 3HD2 LEU 62 3HD2 LEU 62 0.851 6.989 4.312 519 H MET 63 H MET 63 -5.176 5.880 3.493 520 HA MET 63 HA MET 63 -5.746 6.216 0.791 521 1HB MET 63 1HB MET 63 -7.678 5.569 3.026 522 2HB MET 63 2HB MET 63 -8.009 5.351 1.313 523 1HG MET 63 1HG MET 63 -5.718 4.032 2.795 524 2HG MET 63 2HG MET 63 -7.249 3.244 2.425 525 1HE MET 63 1HE MET 63 -8.016 2.414 0.601 526 2HE MET 63 2HE MET 63 -8.045 3.657 -0.648 527 3HE MET 63 3HE MET 63 -7.219 2.131 -0.953 528 H GLN 64 H GLN 64 -7.074 7.954 3.568 529 HA GLN 64 HA GLN 64 -8.784 9.628 1.957 530 1HB GLN 64 1HB GLN 64 -8.019 9.518 4.850 531 2HB GLN 64 2HB GLN 64 -8.765 10.985 4.215 532 1HG GLN 64 1HG GLN 64 -10.636 9.613 3.317 533 2HG GLN 64 2HG GLN 64 -9.906 8.180 4.042 534 2HE2 GLN 64 2HE2 GLN 64 -11.545 7.791 5.631 535 1HE2 GLN 64 1HE2 GLN 64 -11.865 8.873 6.900 536 H GLN 65 H GLN 65 -5.537 9.793 3.254 537 HA GLN 65 HA GLN 65 -5.140 12.591 2.845 538 1HB GLN 65 1HB GLN 65 -3.387 10.245 3.428 539 2HB GLN 65 2HB GLN 65 -2.639 11.727 2.835 540 1HG GLN 65 1HG GLN 65 -4.652 12.139 4.961 541 2HG GLN 65 2HG GLN 65 -3.223 11.241 5.469 542 2HE2 GLN 65 2HE2 GLN 65 -1.706 12.648 6.338 543 1HE2 GLN 65 1HE2 GLN 65 -1.367 14.204 5.748 544 H LEU 66 H LEU 66 -4.586 9.698 0.906 545 HA LEU 66 HA LEU 66 -3.575 11.371 -1.300 546 1HB LEU 66 1HB LEU 66 -3.426 8.436 -0.723 547 2HB LEU 66 2HB LEU 66 -3.126 9.066 -2.328 548 HG LEU 66 HG LEU 66 -1.016 8.765 -1.255 549 1HD1 LEU 66 1HD1 LEU 66 -1.664 11.055 -2.436 550 2HD1 LEU 66 2HD1 LEU 66 -1.367 11.699 -0.822 551 3HD1 LEU 66 3HD1 LEU 66 -0.088 10.838 -1.676 552 1HD2 LEU 66 1HD2 LEU 66 -2.226 8.968 1.086 553 2HD2 LEU 66 2HD2 LEU 66 -0.513 9.358 0.936 554 3HD2 LEU 66 3HD2 LEU 66 -1.713 10.650 0.964 555 HA PRO 67 HA PRO 67 -7.381 10.768 -3.450 556 1HB PRO 67 1HB PRO 67 -6.551 11.075 -6.042 557 2HB PRO 67 2HB PRO 67 -6.721 12.411 -4.895 558 1HG PRO 67 1HG PRO 67 -4.262 11.126 -5.924 559 2HG PRO 67 2HG PRO 67 -4.502 12.762 -5.296 560 1HD PRO 67 1HD PRO 67 -3.339 10.575 -3.905 561 2HD PRO 67 2HD PRO 67 -3.815 12.143 -3.209 562 H VAL 68 H VAL 68 -5.202 9.383 -5.885 563 HA VAL 68 HA VAL 68 -5.509 6.671 -5.354 564 HB VAL 68 HB VAL 68 -7.871 7.898 -6.648 565 1HG1 VAL 68 1HG1 VAL 68 -6.858 6.867 -8.669 566 2HG1 VAL 68 2HG1 VAL 68 -6.768 5.324 -7.819 567 3HG1 VAL 68 3HG1 VAL 68 -8.338 6.041 -8.181 568 1HG2 VAL 68 1HG2 VAL 68 -7.161 5.690 -4.849 569 2HG2 VAL 68 2HG2 VAL 68 -8.630 6.663 -4.912 570 3HG2 VAL 68 3HG2 VAL 68 -8.450 5.271 -5.977 571 H THR 69 H THR 69 -4.852 5.328 -7.246 572 HA THR 69 HA THR 69 -2.662 6.560 -8.600 573 HB THR 69 HB THR 69 -2.889 4.251 -9.934 574 HG1 THR 69 HG1 THR 69 -4.753 3.495 -9.148 575 1HG2 THR 69 1HG2 THR 69 -1.134 5.060 -8.254 576 2HG2 THR 69 2HG2 THR 69 -2.096 4.248 -7.019 577 3HG2 THR 69 3HG2 THR 69 -1.389 3.317 -8.340 578 H ALA 70 H ALA 70 -5.817 5.326 -9.684 579 HA ALA 70 HA ALA 70 -5.862 7.274 -11.841 580 1HB ALA 70 1HB ALA 70 -6.203 4.382 -12.605 581 2HB ALA 70 2HB ALA 70 -4.624 5.164 -12.672 582 3HB ALA 70 3HB ALA 70 -5.954 5.777 -13.654 583 H ARG 71 H ARG 71 -7.836 8.091 -11.781 584 HA ARG 71 HA ARG 71 -10.116 8.292 -11.554 585 1HB ARG 71 1HB ARG 71 -9.783 5.480 -12.509 586 2HB ARG 71 2HB ARG 71 -11.365 5.981 -11.910 587 1HG ARG 71 1HG ARG 71 -10.811 8.104 -13.474 588 2HG ARG 71 2HG ARG 71 -9.891 6.871 -14.337 589 1HD ARG 71 1HD ARG 71 -12.170 5.496 -13.921 590 2HD ARG 71 2HD ARG 71 -12.830 7.128 -13.961 591 HE ARG 71 HE ARG 71 -12.377 7.201 -16.237 592 1HH1 ARG 71 1HH1 ARG 71 -10.620 4.550 -14.773 593 2HH1 ARG 71 2HH1 ARG 71 -10.093 3.912 -16.292 594 1HH2 ARG 71 1HH2 ARG 71 -11.668 6.336 -18.195 595 2HH2 ARG 71 2HH2 ARG 71 -10.679 4.913 -18.214 No H/Q in entry = 595 Start of MODEL 30 1 H1 LEU 1 H1 LEU 1 10.396 -30.177 -12.440 2 H2 LEU 1 H2 LEU 1 11.462 -30.219 -11.117 3 H3 LEU 1 H3 LEU 1 10.453 -28.873 -11.357 4 HA LEU 1 HA LEU 1 12.634 -28.268 -12.054 5 1HB LEU 1 1HB LEU 1 13.077 -30.854 -12.509 6 2HB LEU 1 2HB LEU 1 12.634 -30.399 -14.154 7 HG LEU 1 HG LEU 1 14.668 -28.829 -12.568 8 1HD1 LEU 1 1HD1 LEU 1 15.025 -31.327 -14.229 9 2HD1 LEU 1 2HD1 LEU 1 16.335 -30.165 -14.015 10 3HD1 LEU 1 3HD1 LEU 1 15.648 -30.988 -12.614 11 1HD2 LEU 1 1HD2 LEU 1 14.015 -29.147 -15.514 12 2HD2 LEU 1 2HD2 LEU 1 13.773 -27.706 -14.526 13 3HD2 LEU 1 3HD2 LEU 1 15.407 -28.250 -14.906 14 H GLY 2 H GLY 2 12.021 -26.463 -13.054 15 1HA GLY 2 1HA GLY 2 11.092 -26.552 -15.799 16 2HA GLY 2 2HA GLY 2 11.462 -25.105 -14.864 17 H ALA 3 H ALA 3 9.872 -24.781 -12.952 18 HA ALA 3 HA ALA 3 7.130 -25.210 -13.981 19 1HB ALA 3 1HB ALA 3 8.197 -25.483 -11.183 20 2HB ALA 3 2HB ALA 3 7.166 -26.591 -12.087 21 3HB ALA 3 3HB ALA 3 6.503 -25.080 -11.466 22 H SER 4 H SER 4 6.858 -23.219 -14.900 23 HA SER 4 HA SER 4 6.650 -20.969 -13.027 24 1HB SER 4 1HB SER 4 8.912 -20.949 -14.272 25 2HB SER 4 2HB SER 4 7.966 -20.560 -15.707 26 HG SER 4 HG SER 4 8.744 -18.951 -13.734 27 H TRP 5 H TRP 5 4.558 -20.491 -13.183 28 HA TRP 5 HA TRP 5 3.429 -19.390 -15.519 29 1HB TRP 5 1HB TRP 5 3.496 -22.006 -15.940 30 2HB TRP 5 2HB TRP 5 2.052 -21.973 -14.925 31 HD1 TRP 5 HD1 TRP 5 3.244 -21.277 -18.385 32 HE1 TRP 5 HE1 TRP 5 1.326 -20.303 -19.804 33 HE3 TRP 5 HE3 TRP 5 -0.169 -20.316 -14.711 34 HZ2 TRP 5 HZ2 TRP 5 -1.310 -19.254 -19.431 35 HZ3 TRP 5 HZ3 TRP 5 -2.374 -19.331 -15.270 36 HH2 TRP 5 HH2 TRP 5 -2.948 -18.800 -17.622 37 H HIS 6 H HIS 6 2.792 -21.165 -12.535 38 HA HIS 6 HA HIS 6 0.332 -19.678 -12.047 39 1HB HIS 6 1HB HIS 6 1.766 -21.652 -10.253 40 2HB HIS 6 2HB HIS 6 0.120 -21.052 -10.052 41 HD1 HIS 6 HD1 HIS 6 -0.900 -21.266 -12.941 42 HD2 HIS 6 HD2 HIS 6 1.292 -24.273 -11.061 43 HE1 HIS 6 HE1 HIS 6 -1.436 -23.416 -14.167 44 H ARG 7 H ARG 7 0.262 -19.151 -9.451 45 HA ARG 7 HA ARG 7 0.857 -17.605 -7.855 46 1HB ARG 7 1HB ARG 7 2.942 -19.189 -7.912 47 2HB ARG 7 2HB ARG 7 3.727 -17.823 -8.705 48 1HG ARG 7 1HG ARG 7 2.160 -17.385 -6.176 49 2HG ARG 7 2HG ARG 7 3.812 -17.997 -6.092 50 1HD ARG 7 1HD ARG 7 4.384 -16.029 -7.688 51 2HD ARG 7 2HD ARG 7 2.834 -15.366 -7.183 52 HE ARG 7 HE ARG 7 3.784 -14.856 -5.130 53 1HH1 ARG 7 1HH1 ARG 7 5.803 -17.172 -6.805 54 2HH1 ARG 7 2HH1 ARG 7 7.076 -17.077 -5.638 55 1HH2 ARG 7 1HH2 ARG 7 5.467 -14.762 -3.632 56 2HH2 ARG 7 2HH2 ARG 7 6.889 -15.725 -3.857 57 HA PRO 8 HA PRO 8 1.285 -14.237 -10.940 58 1HB PRO 8 1HB PRO 8 -0.890 -12.810 -10.104 59 2HB PRO 8 2HB PRO 8 -0.977 -14.146 -11.264 60 1HG PRO 8 1HG PRO 8 -1.818 -14.064 -8.429 61 2HG PRO 8 2HG PRO 8 -2.397 -15.091 -9.748 62 1HD PRO 8 1HD PRO 8 -0.578 -15.837 -7.693 63 2HD PRO 8 2HD PRO 8 -0.984 -16.779 -9.146 64 H ASP 9 H ASP 9 1.154 -11.733 -10.513 65 HA ASP 9 HA ASP 9 2.649 -11.222 -8.024 66 1HB ASP 9 1HB ASP 9 2.484 -9.728 -10.644 67 2HB ASP 9 2HB ASP 9 3.250 -9.054 -9.206 68 H LYS 10 H LYS 10 -0.248 -11.487 -8.073 69 HA LYS 10 HA LYS 10 -1.012 -8.725 -7.332 70 1HB LYS 10 1HB LYS 10 -2.229 -10.252 -9.243 71 2HB LYS 10 2HB LYS 10 -3.185 -10.668 -7.821 72 1HG LYS 10 1HG LYS 10 -4.331 -8.766 -8.362 73 2HG LYS 10 2HG LYS 10 -3.008 -7.971 -7.509 74 1HD LYS 10 1HD LYS 10 -3.024 -8.530 -10.488 75 2HD LYS 10 2HD LYS 10 -3.451 -6.980 -9.764 76 1HE LYS 10 1HE LYS 10 -1.140 -7.156 -8.579 77 2HE LYS 10 2HE LYS 10 -0.773 -8.358 -9.817 78 1HZ LYS 10 1HZ LYS 10 -1.743 -5.608 -10.376 79 2HZ LYS 10 2HZ LYS 10 -0.114 -6.087 -10.444 80 3HZ LYS 10 3HZ LYS 10 -1.240 -6.760 -11.520 81 H CYS 11 H CYS 11 -3.241 -9.128 -5.906 82 HA CYS 11 HA CYS 11 -3.988 -9.594 -3.784 83 1HB CYS 11 1HB CYS 11 -2.531 -12.204 -4.219 84 2HB CYS 11 2HB CYS 11 -3.799 -11.904 -3.033 85 H CYS 12 H CYS 12 -3.051 -10.740 -1.592 86 HA CYS 12 HA CYS 12 -0.268 -10.370 -1.099 87 1HB CYS 12 1HB CYS 12 -1.570 -7.969 -1.238 88 2HB CYS 12 2HB CYS 12 -1.731 -8.339 0.477 89 H LEU 13 H LEU 13 0.001 -11.988 0.283 90 HA LEU 13 HA LEU 13 -2.074 -12.918 2.031 91 1HB LEU 13 1HB LEU 13 0.869 -13.580 1.972 92 2HB LEU 13 2HB LEU 13 -0.339 -14.433 2.909 93 HG LEU 13 HG LEU 13 -1.458 -14.780 0.532 94 1HD1 LEU 13 1HD1 LEU 13 1.361 -13.936 -0.016 95 2HD1 LEU 13 2HD1 LEU 13 0.672 -15.231 -0.997 96 3HD1 LEU 13 3HD1 LEU 13 -0.099 -13.646 -0.961 97 1HD2 LEU 13 1HD2 LEU 13 0.879 -16.236 1.770 98 2HD2 LEU 13 2HD2 LEU 13 -0.828 -16.677 1.801 99 3HD2 LEU 13 3HD2 LEU 13 0.098 -16.843 0.309 100 H GLY 14 H GLY 14 0.734 -10.846 2.351 101 1HA GLY 14 1HA GLY 14 1.640 -10.415 4.665 102 2HA GLY 14 2HA GLY 14 -0.047 -10.315 5.160 103 H TYR 15 H TYR 15 0.865 -8.166 5.920 104 HA TYR 15 HA TYR 15 0.808 -6.170 3.738 105 1HB TYR 15 1HB TYR 15 -0.563 -5.955 6.429 106 2HB TYR 15 2HB TYR 15 -0.474 -4.670 5.223 107 HD1 TYR 15 HD1 TYR 15 -1.662 -8.169 5.764 108 HD2 TYR 15 HD2 TYR 15 -2.006 -4.583 3.424 109 HE1 TYR 15 HE1 TYR 15 -3.641 -9.114 4.606 110 HE2 TYR 15 HE2 TYR 15 -3.985 -5.529 2.267 111 HH TYR 15 HH TYR 15 -5.817 -7.721 3.253 112 H GLN 16 H GLN 16 1.360 -3.904 4.939 113 HA GLN 16 HA GLN 16 4.105 -4.049 5.560 114 1HB GLN 16 1HB GLN 16 2.504 -2.008 4.853 115 2HB GLN 16 2HB GLN 16 2.573 -1.717 6.587 116 1HG GLN 16 1HG GLN 16 5.030 -2.158 4.871 117 2HG GLN 16 2HG GLN 16 4.391 -0.561 5.261 118 2HE2 GLN 16 2HE2 GLN 16 6.298 -3.203 6.460 119 1HE2 GLN 16 1HE2 GLN 16 6.568 -2.573 8.013 120 H LYS 17 H LYS 17 1.255 -3.660 7.607 121 HA LYS 17 HA LYS 17 0.897 -4.367 9.786 122 1HB LYS 17 1HB LYS 17 2.859 -5.987 9.465 123 2HB LYS 17 2HB LYS 17 3.857 -4.739 10.212 124 1HG LYS 17 1HG LYS 17 2.368 -4.736 12.186 125 2HG LYS 17 2HG LYS 17 1.388 -6.000 11.443 126 1HD LYS 17 1HD LYS 17 2.807 -7.273 12.778 127 2HD LYS 17 2HD LYS 17 3.700 -7.259 11.257 128 1HE LYS 17 1HE LYS 17 5.279 -5.742 12.038 129 2HE LYS 17 2HE LYS 17 4.178 -5.056 13.232 130 1HZ LYS 17 1HZ LYS 17 4.293 -7.298 14.354 131 2HZ LYS 17 2HZ LYS 17 5.615 -7.640 13.343 132 3HZ LYS 17 3HZ LYS 17 5.694 -6.345 14.440 133 H ARG 18 H ARG 18 3.762 -2.339 9.226 134 HA ARG 18 HA ARG 18 3.018 -0.721 11.568 135 1HB ARG 18 1HB ARG 18 5.558 -0.956 9.956 136 2HB ARG 18 2HB ARG 18 5.281 0.384 11.070 137 1HG ARG 18 1HG ARG 18 6.250 -1.065 12.561 138 2HG ARG 18 2HG ARG 18 4.596 -1.664 12.683 139 1HD ARG 18 1HD ARG 18 5.046 -3.565 11.472 140 2HD ARG 18 2HD ARG 18 6.282 -2.779 10.498 141 HE ARG 18 HE ARG 18 6.683 -4.167 13.000 142 1HH1 ARG 18 1HH1 ARG 18 7.921 -1.686 10.862 143 2HH1 ARG 18 2HH1 ARG 18 9.540 -1.821 11.458 144 1HH2 ARG 18 1HH2 ARG 18 8.806 -4.310 13.747 145 2HH2 ARG 18 2HH2 ARG 18 10.038 -3.294 13.077 146 HA PRO 19 HA PRO 19 1.668 2.527 8.908 147 1HB PRO 19 1HB PRO 19 2.085 4.710 10.495 148 2HB PRO 19 2HB PRO 19 0.803 3.522 10.769 149 1HG PRO 19 1HG PRO 19 3.296 3.956 12.278 150 2HG PRO 19 2HG PRO 19 1.790 3.182 12.789 151 1HD PRO 19 1HD PRO 19 4.218 1.889 11.984 152 2HD PRO 19 2HD PRO 19 2.666 1.118 12.386 153 H LEU 20 H LEU 20 2.393 3.791 7.276 154 HA LEU 20 HA LEU 20 5.253 4.536 7.295 155 1HB LEU 20 1HB LEU 20 3.704 4.664 4.774 156 2HB LEU 20 2HB LEU 20 5.359 4.173 5.048 157 HG LEU 20 HG LEU 20 2.880 2.503 5.535 158 1HD1 LEU 20 1HD1 LEU 20 5.038 2.562 3.430 159 2HD1 LEU 20 2HD1 LEU 20 4.143 1.081 3.766 160 3HD1 LEU 20 3HD1 LEU 20 3.289 2.521 3.214 161 1HD2 LEU 20 1HD2 LEU 20 5.162 2.325 6.996 162 2HD2 LEU 20 2HD2 LEU 20 4.176 0.925 6.577 163 3HD2 LEU 20 3HD2 LEU 20 5.604 1.316 5.620 164 HA PRO 21 HA PRO 21 3.946 8.773 7.231 165 1HB PRO 21 1HB PRO 21 6.274 9.942 6.403 166 2HB PRO 21 2HB PRO 21 6.031 9.277 8.027 167 1HG PRO 21 1HG PRO 21 7.637 8.209 5.789 168 2HG PRO 21 2HG PRO 21 7.802 7.930 7.529 169 1HD PRO 21 1HD PRO 21 6.616 6.174 5.613 170 2HD PRO 21 2HD PRO 21 6.627 5.980 7.382 171 H GLN 22 H GLN 22 2.838 10.016 5.820 172 HA GLN 22 HA GLN 22 2.864 9.456 3.009 173 1HB GLN 22 1HB GLN 22 0.846 10.224 4.294 174 2HB GLN 22 2HB GLN 22 1.592 11.818 4.405 175 1HG GLN 22 1HG GLN 22 1.530 10.654 1.681 176 2HG GLN 22 2HG GLN 22 -0.050 11.045 2.362 177 2HE2 GLN 22 2HE2 GLN 22 -0.101 12.802 0.661 178 1HE2 GLN 22 1HE2 GLN 22 0.701 14.264 0.977 179 H VAL 23 H VAL 23 4.883 11.349 4.951 180 HA VAL 23 HA VAL 23 5.368 13.668 3.538 181 HB VAL 23 HB VAL 23 6.369 13.126 5.723 182 1HG1 VAL 23 1HG1 VAL 23 6.986 10.715 4.700 183 2HG1 VAL 23 2HG1 VAL 23 8.532 11.526 4.451 184 3HG1 VAL 23 3HG1 VAL 23 7.849 11.410 6.073 185 1HG2 VAL 23 1HG2 VAL 23 7.384 14.853 4.194 186 2HG2 VAL 23 2HG2 VAL 23 8.529 14.138 5.330 187 3HG2 VAL 23 3HG2 VAL 23 8.519 13.619 3.645 188 H LEU 24 H LEU 24 6.149 10.397 2.624 189 HA LEU 24 HA LEU 24 7.530 11.472 0.245 190 1HB LEU 24 1HB LEU 24 9.184 9.851 0.287 191 2HB LEU 24 2HB LEU 24 9.053 10.365 1.948 192 HG LEU 24 HG LEU 24 9.310 8.050 2.099 193 1HD1 LEU 24 1HD1 LEU 24 7.275 8.913 3.325 194 2HD1 LEU 24 2HD1 LEU 24 6.297 8.304 1.991 195 3HD1 LEU 24 3HD1 LEU 24 7.247 7.187 2.968 196 1HD2 LEU 24 1HD2 LEU 24 8.694 7.925 -0.497 197 2HD2 LEU 24 2HD2 LEU 24 8.642 6.495 0.534 198 3HD2 LEU 24 3HD2 LEU 24 7.154 7.362 0.152 199 H LEU 25 H LEU 25 4.806 9.890 1.236 200 HA LEU 25 HA LEU 25 4.690 7.822 -0.754 201 1HB LEU 25 1HB LEU 25 3.329 8.234 1.508 202 2HB LEU 25 2HB LEU 25 2.211 8.986 0.393 203 HG LEU 25 HG LEU 25 1.936 6.903 -0.812 204 1HD1 LEU 25 1HD1 LEU 25 4.330 6.138 0.794 205 2HD1 LEU 25 2HD1 LEU 25 3.139 4.876 0.480 206 3HD1 LEU 25 3HD1 LEU 25 3.909 5.715 -0.866 207 1HD2 LEU 25 1HD2 LEU 25 1.675 6.939 2.167 208 2HD2 LEU 25 2HD2 LEU 25 0.416 6.874 0.934 209 3HD2 LEU 25 3HD2 LEU 25 1.345 5.425 1.324 210 H SER 26 H SER 26 2.801 7.834 -2.349 211 HA SER 26 HA SER 26 2.543 10.512 -3.583 212 1HB SER 26 1HB SER 26 4.112 8.646 -4.678 213 2HB SER 26 2HB SER 26 2.571 8.108 -5.338 214 HG SER 26 HG SER 26 3.658 9.690 -6.642 215 H SER 27 H SER 27 1.191 7.228 -3.371 216 HA SER 27 HA SER 27 -1.473 8.118 -3.028 217 1HB SER 27 1HB SER 27 -2.458 7.619 -5.169 218 2HB SER 27 2HB SER 27 -1.153 8.769 -5.433 219 HG SER 27 HG SER 27 -1.412 6.575 -6.679 220 H TRP 28 H TRP 28 -2.973 6.127 -3.964 221 HA TRP 28 HA TRP 28 -1.685 3.569 -3.294 222 1HB TRP 28 1HB TRP 28 -3.616 3.002 -1.798 223 2HB TRP 28 2HB TRP 28 -2.598 4.293 -1.161 224 HD1 TRP 28 HD1 TRP 28 -3.565 6.763 -1.178 225 HE1 TRP 28 HE1 TRP 28 -5.962 7.685 -1.400 226 HE3 TRP 28 HE3 TRP 28 -5.959 2.585 -2.885 227 HZ2 TRP 28 HZ2 TRP 28 -8.551 6.763 -2.214 228 HZ3 TRP 28 HZ3 TRP 28 -8.383 2.637 -3.379 229 HH2 TRP 28 HH2 TRP 28 -9.684 4.719 -3.042 230 H TYR 29 H TYR 29 -2.751 1.756 -4.196 231 HA TYR 29 HA TYR 29 -5.022 2.413 -5.960 232 1HB TYR 29 1HB TYR 29 -4.103 1.319 -7.810 233 2HB TYR 29 2HB TYR 29 -2.731 2.176 -7.128 234 HD1 TYR 29 HD1 TYR 29 -4.381 -1.142 -7.371 235 HD2 TYR 29 HD2 TYR 29 -0.812 0.996 -6.301 236 HE1 TYR 29 HE1 TYR 29 -3.145 -3.283 -7.215 237 HE2 TYR 29 HE2 TYR 29 0.421 -1.145 -6.145 238 HH TYR 29 HH TYR 29 -0.685 -3.877 -5.685 239 HA PRO 30 HA PRO 30 -6.762 -1.118 -3.910 240 1HB PRO 30 1HB PRO 30 -9.047 -1.354 -5.387 241 2HB PRO 30 2HB PRO 30 -8.791 -0.101 -4.162 242 1HG PRO 30 1HG PRO 30 -8.803 0.132 -7.110 243 2HG PRO 30 2HG PRO 30 -9.140 1.358 -5.880 244 1HD PRO 30 1HD PRO 30 -6.724 1.049 -7.352 245 2HD PRO 30 2HD PRO 30 -6.996 2.131 -5.967 246 H THR 31 H THR 31 -6.943 -3.328 -4.117 247 HA THR 31 HA THR 31 -5.620 -4.585 -6.311 248 HB THR 31 HB THR 31 -6.521 -6.706 -5.142 249 HG1 THR 31 HG1 THR 31 -8.200 -5.862 -4.006 250 1HG2 THR 31 1HG2 THR 31 -4.798 -4.676 -3.697 251 2HG2 THR 31 2HG2 THR 31 -4.917 -6.378 -3.247 252 3HG2 THR 31 3HG2 THR 31 -4.247 -5.925 -4.814 253 H SER 32 H SER 32 -6.879 -6.764 -7.082 254 HA SER 32 HA SER 32 -8.987 -5.754 -8.767 255 1HB SER 32 1HB SER 32 -7.381 -8.233 -8.616 256 2HB SER 32 2HB SER 32 -9.007 -8.415 -9.267 257 HG SER 32 HG SER 32 -7.549 -7.866 -10.909 258 H GLN 33 H GLN 33 -9.266 -8.957 -7.279 259 HA GLN 33 HA GLN 33 -11.167 -8.408 -5.307 260 1HB GLN 33 1HB GLN 33 -12.331 -7.764 -7.664 261 2HB GLN 33 2HB GLN 33 -12.724 -9.479 -7.595 262 1HG GLN 33 1HG GLN 33 -14.522 -8.419 -6.473 263 2HG GLN 33 2HG GLN 33 -13.491 -9.025 -5.177 264 2HE2 GLN 33 2HE2 GLN 33 -12.821 -7.501 -3.653 265 1HE2 GLN 33 1HE2 GLN 33 -12.900 -5.820 -3.871 266 H LEU 34 H LEU 34 -10.217 -10.586 -7.906 267 HA LEU 34 HA LEU 34 -11.271 -12.992 -7.037 268 1HB LEU 34 1HB LEU 34 -8.690 -12.362 -8.440 269 2HB LEU 34 2HB LEU 34 -9.154 -14.007 -8.072 270 HG LEU 34 HG LEU 34 -9.771 -13.627 -10.332 271 1HD1 LEU 34 1HD1 LEU 34 -11.534 -14.626 -8.723 272 2HD1 LEU 34 2HD1 LEU 34 -12.361 -13.076 -8.888 273 3HD1 LEU 34 3HD1 LEU 34 -12.089 -14.085 -10.309 274 1HD2 LEU 34 1HD2 LEU 34 -9.664 -11.083 -10.047 275 2HD2 LEU 34 2HD2 LEU 34 -10.909 -11.693 -11.137 276 3HD2 LEU 34 3HD2 LEU 34 -11.340 -11.178 -9.506 277 H CYS 35 H CYS 35 -8.651 -11.165 -5.656 278 HA CYS 35 HA CYS 35 -7.297 -13.200 -4.264 279 1HB CYS 35 1HB CYS 35 -7.729 -10.360 -3.317 280 2HB CYS 35 2HB CYS 35 -6.434 -11.452 -2.829 281 H SER 36 H SER 36 -7.477 -13.971 -2.148 282 HA SER 36 HA SER 36 -10.153 -14.319 -1.198 283 1HB SER 36 1HB SER 36 -8.066 -15.888 -0.952 284 2HB SER 36 2HB SER 36 -7.752 -14.926 0.490 285 HG SER 36 HG SER 36 -9.089 -16.780 0.871 286 H LYS 37 H LYS 37 -7.292 -12.815 0.282 287 HA LYS 37 HA LYS 37 -9.106 -10.986 1.735 288 1HB LYS 37 1HB LYS 37 -7.370 -11.015 3.589 289 2HB LYS 37 2HB LYS 37 -8.312 -12.494 3.411 290 1HG LYS 37 1HG LYS 37 -6.441 -13.412 1.981 291 2HG LYS 37 2HG LYS 37 -5.489 -11.996 2.426 292 1HD LYS 37 1HD LYS 37 -6.182 -12.714 4.883 293 2HD LYS 37 2HD LYS 37 -6.373 -14.295 4.127 294 1HE LYS 37 1HE LYS 37 -4.072 -14.185 3.272 295 2HE LYS 37 2HE LYS 37 -3.875 -12.582 3.982 296 1HZ LYS 37 1HZ LYS 37 -4.381 -13.610 6.166 297 2HZ LYS 37 2HZ LYS 37 -4.335 -15.136 5.421 298 3HZ LYS 37 3HZ LYS 37 -2.940 -14.171 5.463 299 HA PRO 38 HA PRO 38 -5.889 -8.596 -0.583 300 1HB PRO 38 1HB PRO 38 -7.599 -7.074 -2.065 301 2HB PRO 38 2HB PRO 38 -7.013 -8.665 -2.570 302 1HG PRO 38 1HG PRO 38 -9.690 -7.871 -1.601 303 2HG PRO 38 2HG PRO 38 -9.221 -9.241 -2.617 304 1HD PRO 38 1HD PRO 38 -9.817 -9.302 0.173 305 2HD PRO 38 2HD PRO 38 -9.172 -10.634 -0.815 306 H GLY 39 H GLY 39 -6.195 -6.008 -1.134 307 1HA GLY 39 1HA GLY 39 -5.907 -4.625 1.249 308 2HA GLY 39 2HA GLY 39 -7.602 -4.446 0.794 309 H VAL 40 H VAL 40 -4.643 -3.026 0.559 310 HA VAL 40 HA VAL 40 -4.890 -2.050 -2.174 311 HB VAL 40 HB VAL 40 -5.022 -0.074 0.115 312 1HG1 VAL 40 1HG1 VAL 40 -4.009 0.355 -2.314 313 2HG1 VAL 40 2HG1 VAL 40 -5.716 0.542 -2.713 314 3HG1 VAL 40 3HG1 VAL 40 -4.981 1.570 -1.484 315 1HG2 VAL 40 1HG2 VAL 40 -7.171 -1.139 -1.731 316 2HG2 VAL 40 2HG2 VAL 40 -7.143 -1.223 0.030 317 3HG2 VAL 40 3HG2 VAL 40 -7.348 0.332 -0.775 318 H ILE 41 H ILE 41 -2.957 -1.714 -3.007 319 HA ILE 41 HA ILE 41 -0.632 -1.754 -1.224 320 HB ILE 41 HB ILE 41 -0.987 -2.185 -4.195 321 1HG1 ILE 41 1HG1 ILE 41 0.258 -4.345 -3.409 322 2HG1 ILE 41 2HG1 ILE 41 -0.270 -3.849 -1.801 323 1HG2 ILE 41 1HG2 ILE 41 1.523 -1.646 -2.628 324 2HG2 ILE 41 2HG2 ILE 41 1.570 -2.789 -3.972 325 3HG2 ILE 41 3HG2 ILE 41 1.089 -1.115 -4.255 326 1HD1 ILE 41 1HD1 ILE 41 -2.237 -3.941 -4.078 327 2HD1 ILE 41 2HD1 ILE 41 -1.825 -5.413 -3.200 328 3HD1 ILE 41 3HD1 ILE 41 -2.545 -4.049 -2.345 329 H PHE 42 H PHE 42 0.529 0.001 -0.797 330 HA PHE 42 HA PHE 42 -0.258 2.569 -1.853 331 1HB PHE 42 1HB PHE 42 1.727 1.612 0.180 332 2HB PHE 42 2HB PHE 42 1.882 3.244 -0.472 333 HD1 PHE 42 HD1 PHE 42 -0.366 4.640 -0.554 334 HD2 PHE 42 HD2 PHE 42 0.325 1.262 2.007 335 HE1 PHE 42 HE1 PHE 42 -2.177 5.412 0.953 336 HE2 PHE 42 HE2 PHE 42 -1.485 2.036 3.515 337 HZ PHE 42 HZ PHE 42 -2.738 4.107 2.987 338 H LEU 43 H LEU 43 1.324 4.083 -2.763 339 HA LEU 43 HA LEU 43 3.530 2.810 -4.245 340 1HB LEU 43 1HB LEU 43 1.685 4.772 -5.575 341 2HB LEU 43 2HB LEU 43 2.906 3.761 -6.313 342 HG LEU 43 HG LEU 43 0.622 2.401 -4.958 343 1HD1 LEU 43 1HD1 LEU 43 -0.019 4.455 -6.604 344 2HD1 LEU 43 2HD1 LEU 43 0.212 3.178 -7.797 345 3HD1 LEU 43 3HD1 LEU 43 -0.969 2.974 -6.504 346 1HD2 LEU 43 1HD2 LEU 43 2.763 1.520 -6.355 347 2HD2 LEU 43 2HD2 LEU 43 1.223 0.662 -6.332 348 3HD2 LEU 43 3HD2 LEU 43 1.618 1.728 -7.680 349 H THR 44 H THR 44 5.078 3.870 -3.010 350 HA THR 44 HA THR 44 4.927 6.624 -2.322 351 HB THR 44 HB THR 44 7.274 6.410 -1.707 352 HG1 THR 44 HG1 THR 44 7.077 3.954 -3.106 353 1HG2 THR 44 1HG2 THR 44 5.338 4.241 -1.024 354 2HG2 THR 44 2HG2 THR 44 7.003 4.072 -0.465 355 3HG2 THR 44 3HG2 THR 44 6.050 5.477 0.014 356 H LYS 45 H LYS 45 6.507 8.271 -3.092 357 HA LYS 45 HA LYS 45 6.211 8.767 -5.838 358 1HB LYS 45 1HB LYS 45 8.283 9.887 -3.935 359 2HB LYS 45 2HB LYS 45 7.881 10.556 -5.517 360 1HG LYS 45 1HG LYS 45 5.846 11.371 -4.811 361 2HG LYS 45 2HG LYS 45 5.628 10.091 -3.617 362 1HD LYS 45 1HD LYS 45 6.064 11.957 -2.269 363 2HD LYS 45 2HD LYS 45 7.659 11.216 -2.413 364 1HE LYS 45 1HE LYS 45 8.169 13.417 -2.948 365 2HE LYS 45 2HE LYS 45 7.832 12.767 -4.552 366 1HZ LYS 45 1HZ LYS 45 5.771 14.056 -2.855 367 2HZ LYS 45 2HZ LYS 45 6.688 14.903 -4.008 368 3HZ LYS 45 3HZ LYS 45 5.655 13.650 -4.501 369 H ARG 46 H ARG 46 9.189 7.882 -4.085 370 HA ARG 46 HA ARG 46 10.152 6.573 -6.558 371 1HB ARG 46 1HB ARG 46 11.265 8.788 -6.103 372 2HB ARG 46 2HB ARG 46 11.899 8.079 -4.616 373 1HG ARG 46 1HG ARG 46 13.322 6.643 -5.741 374 2HG ARG 46 2HG ARG 46 12.286 6.568 -7.167 375 1HD ARG 46 1HD ARG 46 12.888 9.064 -7.485 376 2HD ARG 46 2HD ARG 46 14.195 8.753 -6.348 377 HE ARG 46 HE ARG 46 15.305 7.602 -8.027 378 1HH1 ARG 46 1HH1 ARG 46 11.931 7.949 -8.889 379 2HH1 ARG 46 2HH1 ARG 46 12.154 7.309 -10.480 380 1HH2 ARG 46 1HH2 ARG 46 15.552 6.773 -10.109 381 2HH2 ARG 46 2HH2 ARG 46 14.186 6.648 -11.167 382 H GLY 47 H GLY 47 9.229 6.023 -3.429 383 1HA GLY 47 1HA GLY 47 9.779 4.472 -1.810 384 2HA GLY 47 2HA GLY 47 11.365 4.316 -2.556 385 H ARG 48 H ARG 48 8.394 2.842 -2.026 386 HA ARG 48 HA ARG 48 8.481 1.092 -4.358 387 1HB ARG 48 1HB ARG 48 9.528 0.312 -1.698 388 2HB ARG 48 2HB ARG 48 8.451 -0.853 -2.464 389 1HG ARG 48 1HG ARG 48 9.845 -0.713 -4.536 390 2HG ARG 48 2HG ARG 48 10.964 0.340 -3.668 391 1HD ARG 48 1HD ARG 48 11.977 -1.702 -3.289 392 2HD ARG 48 2HD ARG 48 10.908 -1.631 -1.893 393 HE ARG 48 HE ARG 48 9.773 -3.444 -2.766 394 1HH1 ARG 48 1HH1 ARG 48 11.524 -1.847 -5.343 395 2HH1 ARG 48 2HH1 ARG 48 11.104 -3.041 -6.522 396 1HH2 ARG 48 1HH2 ARG 48 9.248 -4.977 -4.334 397 2HH2 ARG 48 2HH2 ARG 48 9.826 -4.798 -5.957 398 H GLN 49 H GLN 49 6.890 -0.909 -3.666 399 HA GLN 49 HA GLN 49 4.371 0.434 -2.978 400 1HB GLN 49 1HB GLN 49 5.112 -2.000 -4.537 401 2HB GLN 49 2HB GLN 49 3.543 -1.983 -3.731 402 1HG GLN 49 1HG GLN 49 2.715 -0.320 -5.074 403 2HG GLN 49 2HG GLN 49 4.281 0.474 -5.232 404 2HE2 GLN 49 2HE2 GLN 49 2.739 -2.650 -6.195 405 1HE2 GLN 49 1HE2 GLN 49 3.470 -2.700 -7.727 406 H VAL 50 H VAL 50 2.878 -0.571 -1.496 407 HA VAL 50 HA VAL 50 3.925 -2.667 0.256 408 HB VAL 50 HB VAL 50 3.119 0.023 1.382 409 1HG1 VAL 50 1HG1 VAL 50 2.899 -2.355 2.620 410 2HG1 VAL 50 2HG1 VAL 50 4.606 -2.044 2.929 411 3HG1 VAL 50 3HG1 VAL 50 3.388 -0.891 3.471 412 1HG2 VAL 50 1HG2 VAL 50 5.838 -1.262 1.021 413 2HG2 VAL 50 2HG2 VAL 50 5.273 0.244 0.296 414 3HG2 VAL 50 3HG2 VAL 50 5.539 0.148 2.037 415 H CYS 51 H CYS 51 2.345 -3.978 0.895 416 HA CYS 51 HA CYS 51 -0.384 -3.474 0.150 417 1HB CYS 51 1HB CYS 51 0.889 -5.655 1.820 418 2HB CYS 51 2HB CYS 51 -0.819 -5.619 1.385 419 H ALA 52 H ALA 52 -1.791 -2.292 1.278 420 HA ALA 52 HA ALA 52 -1.256 -1.850 4.151 421 1HB ALA 52 1HB ALA 52 -1.450 0.088 2.402 422 2HB ALA 52 2HB ALA 52 -2.237 0.249 3.972 423 3HB ALA 52 3HB ALA 52 -3.183 -0.200 2.552 424 H ASP 53 H ASP 53 -2.836 -2.146 5.666 425 HA ASP 53 HA ASP 53 -5.144 -3.759 4.802 426 1HB ASP 53 1HB ASP 53 -3.537 -3.568 7.302 427 2HB ASP 53 2HB ASP 53 -5.252 -3.942 7.473 428 H LYS 54 H LYS 54 -7.055 -2.797 4.649 429 HA LYS 54 HA LYS 54 -7.558 -0.120 5.304 430 1HB LYS 54 1HB LYS 54 -9.969 -0.712 5.022 431 2HB LYS 54 2HB LYS 54 -8.953 -1.275 3.694 432 1HG LYS 54 1HG LYS 54 -8.926 -3.519 4.556 433 2HG LYS 54 2HG LYS 54 -9.686 -3.009 6.064 434 1HD LYS 54 1HD LYS 54 -11.778 -2.805 5.107 435 2HD LYS 54 2HD LYS 54 -11.126 -2.420 3.513 436 1HE LYS 54 1HE LYS 54 -10.366 -4.779 3.285 437 2HE LYS 54 2HE LYS 54 -11.113 -5.148 4.840 438 1HZ LYS 54 1HZ LYS 54 -12.552 -4.057 2.483 439 2HZ LYS 54 2HZ LYS 54 -12.548 -5.689 2.944 440 3HZ LYS 54 3HZ LYS 54 -13.245 -4.521 3.963 441 H SER 55 H SER 55 -7.822 -3.031 7.219 442 HA SER 55 HA SER 55 -9.518 -2.111 9.264 443 1HB SER 55 1HB SER 55 -7.551 -4.285 8.951 444 2HB SER 55 2HB SER 55 -7.843 -3.776 10.611 445 HG SER 55 HG SER 55 -9.619 -4.873 10.465 446 H LYS 56 H LYS 56 -6.122 -1.566 8.619 447 HA LYS 56 HA LYS 56 -5.322 -0.615 11.151 448 1HB LYS 56 1HB LYS 56 -4.321 0.144 8.396 449 2HB LYS 56 2HB LYS 56 -3.513 0.551 9.909 450 1HG LYS 56 1HG LYS 56 -4.216 -2.300 9.211 451 2HG LYS 56 2HG LYS 56 -2.699 -1.566 8.691 452 1HD LYS 56 1HD LYS 56 -1.857 -1.449 10.833 453 2HD LYS 56 2HD LYS 56 -3.453 -1.271 11.563 454 1HE LYS 56 1HE LYS 56 -3.730 -3.754 10.576 455 2HE LYS 56 2HE LYS 56 -1.981 -3.747 10.803 456 1HZ LYS 56 1HZ LYS 56 -2.542 -2.807 13.104 457 2HZ LYS 56 2HZ LYS 56 -4.108 -3.400 12.815 458 3HZ LYS 56 3HZ LYS 56 -2.784 -4.464 12.834 459 H ASP 57 H ASP 57 -4.502 1.802 11.272 460 HA ASP 57 HA ASP 57 -6.863 3.492 10.713 461 1HB ASP 57 1HB ASP 57 -4.906 3.407 12.975 462 2HB ASP 57 2HB ASP 57 -5.676 4.940 12.565 463 H TRP 58 H TRP 58 -3.394 3.203 10.370 464 HA TRP 58 HA TRP 58 -3.021 5.919 9.485 465 1HB TRP 58 1HB TRP 58 -0.743 5.196 8.883 466 2HB TRP 58 2HB TRP 58 -1.162 4.752 10.534 467 HD1 TRP 58 HD1 TRP 58 -1.519 2.180 11.075 468 HE1 TRP 58 HE1 TRP 58 -0.785 0.044 9.837 469 HE3 TRP 58 HE3 TRP 58 -0.397 4.153 6.510 470 HZ2 TRP 58 HZ2 TRP 58 0.158 -0.730 7.232 471 HZ3 TRP 58 HZ3 TRP 58 0.417 2.707 4.672 472 HH2 TRP 58 HH2 TRP 58 0.692 0.270 5.028 473 H VAL 59 H VAL 59 -3.821 2.884 7.982 474 HA VAL 59 HA VAL 59 -3.123 3.671 5.307 475 HB VAL 59 HB VAL 59 -5.099 1.545 6.168 476 1HG1 VAL 59 1HG1 VAL 59 -3.479 2.010 3.646 477 2HG1 VAL 59 2HG1 VAL 59 -4.387 0.535 3.981 478 3HG1 VAL 59 3HG1 VAL 59 -5.234 2.071 3.801 479 1HG2 VAL 59 1HG2 VAL 59 -2.866 1.280 7.252 480 2HG2 VAL 59 2HG2 VAL 59 -3.207 -0.005 6.094 481 3HG2 VAL 59 3HG2 VAL 59 -2.118 1.310 5.656 482 H LYS 60 H LYS 60 -5.967 3.864 7.348 483 HA LYS 60 HA LYS 60 -7.839 4.569 5.333 484 1HB LYS 60 1HB LYS 60 -8.304 3.813 7.749 485 2HB LYS 60 2HB LYS 60 -7.998 5.491 8.198 486 1HG LYS 60 1HG LYS 60 -9.797 6.283 6.834 487 2HG LYS 60 2HG LYS 60 -9.974 4.717 6.041 488 1HD LYS 60 1HD LYS 60 -10.524 3.754 8.334 489 2HD LYS 60 2HD LYS 60 -10.633 5.419 8.909 490 1HE LYS 60 1HE LYS 60 -12.849 4.982 8.318 491 2HE LYS 60 2HE LYS 60 -12.230 5.733 6.847 492 1HZ LYS 60 1HZ LYS 60 -12.089 2.812 7.229 493 2HZ LYS 60 2HZ LYS 60 -13.510 3.543 6.649 494 3HZ LYS 60 3HZ LYS 60 -12.062 3.702 5.781 495 H LYS 61 H LYS 61 -5.796 6.487 7.511 496 HA LYS 61 HA LYS 61 -6.759 9.033 6.781 497 1HB LYS 61 1HB LYS 61 -5.085 8.299 8.675 498 2HB LYS 61 2HB LYS 61 -3.865 8.629 7.444 499 1HG LYS 61 1HG LYS 61 -4.745 10.900 7.147 500 2HG LYS 61 2HG LYS 61 -6.014 10.578 8.330 501 1HD LYS 61 1HD LYS 61 -3.181 10.102 9.157 502 2HD LYS 61 2HD LYS 61 -3.737 11.772 9.038 503 1HE LYS 61 1HE LYS 61 -5.604 11.285 10.550 504 2HE LYS 61 2HE LYS 61 -5.118 9.592 10.631 505 1HZ LYS 61 1HZ LYS 61 -3.328 11.822 11.407 506 2HZ LYS 61 2HZ LYS 61 -4.349 11.032 12.511 507 3HZ LYS 61 3HZ LYS 61 -3.121 10.167 11.716 508 H LEU 62 H LEU 62 -4.064 7.107 5.491 509 HA LEU 62 HA LEU 62 -3.181 8.987 3.576 510 1HB LEU 62 1HB LEU 62 -3.052 5.979 3.558 511 2HB LEU 62 2HB LEU 62 -2.225 7.003 2.407 512 HG LEU 62 HG LEU 62 -1.714 7.413 5.327 513 1HD1 LEU 62 1HD1 LEU 62 -1.567 4.961 4.914 514 2HD1 LEU 62 2HD1 LEU 62 -0.417 5.274 3.614 515 3HD1 LEU 62 3HD1 LEU 62 0.002 5.675 5.279 516 1HD2 LEU 62 1HD2 LEU 62 -0.194 7.716 2.728 517 2HD2 LEU 62 2HD2 LEU 62 -0.657 8.980 3.867 518 3HD2 LEU 62 3HD2 LEU 62 0.602 7.822 4.298 519 H MET 63 H MET 63 -5.475 6.304 3.388 520 HA MET 63 HA MET 63 -6.098 6.409 0.668 521 1HB MET 63 1HB MET 63 -7.640 5.575 3.101 522 2HB MET 63 2HB MET 63 -8.442 5.631 1.532 523 1HG MET 63 1HG MET 63 -6.402 4.274 0.677 524 2HG MET 63 2HG MET 63 -6.095 3.940 2.381 525 1HE MET 63 1HE MET 63 -7.121 2.538 -0.517 526 2HE MET 63 2HE MET 63 -8.694 1.752 -0.393 527 3HE MET 63 3HE MET 63 -8.604 3.494 -0.639 528 H GLN 64 H GLN 64 -7.192 8.413 3.328 529 HA GLN 64 HA GLN 64 -9.123 9.824 1.648 530 1HB GLN 64 1HB GLN 64 -8.315 10.093 4.546 531 2HB GLN 64 2HB GLN 64 -9.421 11.219 3.755 532 1HG GLN 64 1HG GLN 64 -10.786 9.175 3.059 533 2HG GLN 64 2HG GLN 64 -9.795 8.250 4.188 534 2HE2 GLN 64 2HE2 GLN 64 -11.449 11.466 4.288 535 1HE2 GLN 64 1HE2 GLN 64 -12.164 11.205 5.805 536 H GLN 65 H GLN 65 -5.925 10.252 3.021 537 HA GLN 65 HA GLN 65 -5.689 13.042 2.459 538 1HB GLN 65 1HB GLN 65 -3.811 10.851 3.227 539 2HB GLN 65 2HB GLN 65 -3.140 12.343 2.570 540 1HG GLN 65 1HG GLN 65 -5.239 12.742 4.612 541 2HG GLN 65 2HG GLN 65 -3.775 11.967 5.209 542 2HE2 GLN 65 2HE2 GLN 65 -1.808 13.216 5.246 543 1HE2 GLN 65 1HE2 GLN 65 -1.787 14.880 4.911 544 H LEU 66 H LEU 66 -4.599 10.104 0.804 545 HA LEU 66 HA LEU 66 -3.823 11.709 -1.539 546 1HB LEU 66 1HB LEU 66 -3.424 8.754 -1.126 547 2HB LEU 66 2HB LEU 66 -2.653 9.782 -2.315 548 HG LEU 66 HG LEU 66 -1.801 10.996 -0.055 549 1HD1 LEU 66 1HD1 LEU 66 -2.561 8.188 0.649 550 2HD1 LEU 66 2HD1 LEU 66 -1.075 8.848 1.332 551 3HD1 LEU 66 3HD1 LEU 66 -2.618 9.646 1.641 552 1HD2 LEU 66 1HD2 LEU 66 -0.409 10.146 -1.922 553 2HD2 LEU 66 2HD2 LEU 66 0.290 9.730 -0.358 554 3HD2 LEU 66 3HD2 LEU 66 -0.575 8.508 -1.290 555 HA PRO 67 HA PRO 67 -7.471 10.381 -3.624 556 1HB PRO 67 1HB PRO 67 -6.692 10.690 -6.232 557 2HB PRO 67 2HB PRO 67 -7.089 12.034 -5.151 558 1HG PRO 67 1HG PRO 67 -4.442 11.111 -6.109 559 2HG PRO 67 2HG PRO 67 -4.956 12.726 -5.595 560 1HD PRO 67 1HD PRO 67 -3.451 10.881 -4.060 561 2HD PRO 67 2HD PRO 67 -4.224 12.368 -3.460 562 H VAL 68 H VAL 68 -5.302 9.230 -6.181 563 HA VAL 68 HA VAL 68 -4.969 6.578 -5.472 564 HB VAL 68 HB VAL 68 -7.710 7.072 -5.879 565 1HG1 VAL 68 1HG1 VAL 68 -7.106 6.981 -8.400 566 2HG1 VAL 68 2HG1 VAL 68 -6.875 5.255 -8.122 567 3HG1 VAL 68 3HG1 VAL 68 -8.447 5.992 -7.820 568 1HG2 VAL 68 1HG2 VAL 68 -6.366 5.233 -4.640 569 2HG2 VAL 68 2HG2 VAL 68 -7.955 4.826 -5.288 570 3HG2 VAL 68 3HG2 VAL 68 -6.497 4.339 -6.154 571 H THR 69 H THR 69 -4.056 5.317 -7.196 572 HA THR 69 HA THR 69 -2.596 6.845 -9.061 573 HB THR 69 HB THR 69 -1.813 4.649 -8.293 574 HG1 THR 69 HG1 THR 69 -1.062 4.015 -10.266 575 1HG2 THR 69 1HG2 THR 69 -4.077 3.563 -8.258 576 2HG2 THR 69 2HG2 THR 69 -4.015 3.486 -10.019 577 3HG2 THR 69 3HG2 THR 69 -2.840 2.593 -9.057 578 H ALA 70 H ALA 70 -5.497 4.841 -9.470 579 HA ALA 70 HA ALA 70 -6.317 6.445 -11.741 580 1HB ALA 70 1HB ALA 70 -6.631 4.287 -13.131 581 2HB ALA 70 2HB ALA 70 -5.015 4.988 -13.049 582 3HB ALA 70 3HB ALA 70 -5.421 3.589 -12.055 583 H ARG 71 H ARG 71 -7.004 3.116 -10.679 584 HA ARG 71 HA ARG 71 -8.937 2.115 -9.939 585 1HB ARG 71 1HB ARG 71 -8.634 4.024 -8.203 586 2HB ARG 71 2HB ARG 71 -9.954 4.809 -9.071 587 1HG ARG 71 1HG ARG 71 -11.037 2.367 -8.823 588 2HG ARG 71 2HG ARG 71 -9.987 2.337 -7.404 589 1HD ARG 71 1HD ARG 71 -11.908 3.298 -6.515 590 2HD ARG 71 2HD ARG 71 -10.988 4.729 -6.971 591 HE ARG 71 HE ARG 71 -12.670 5.219 -8.472 592 1HH1 ARG 71 1HH1 ARG 71 -12.719 1.782 -7.805 593 2HH1 ARG 71 2HH1 ARG 71 -14.127 1.501 -8.769 594 1HH2 ARG 71 1HH2 ARG 71 -14.504 4.807 -9.719 595 2HH2 ARG 71 2HH2 ARG 71 -15.131 3.197 -9.844 No H/Q in entry = 595 Start of MODEL 31 1 H1 LEU 1 H1 LEU 1 -19.586 -14.388 3.417 2 H2 LEU 1 H2 LEU 1 -19.692 -15.909 4.169 3 H3 LEU 1 H3 LEU 1 -20.505 -14.576 4.834 4 HA LEU 1 HA LEU 1 -18.555 -13.571 5.575 5 1HB LEU 1 1HB LEU 1 -19.240 -15.651 6.822 6 2HB LEU 1 2HB LEU 1 -18.064 -16.549 5.860 7 HG LEU 1 HG LEU 1 -16.405 -14.668 6.666 8 1HD1 LEU 1 1HD1 LEU 1 -18.634 -14.591 8.719 9 2HD1 LEU 1 2HD1 LEU 1 -17.009 -13.977 9.019 10 3HD1 LEU 1 3HD1 LEU 1 -18.013 -13.240 7.770 11 1HD2 LEU 1 1HD2 LEU 1 -16.707 -17.239 7.306 12 2HD2 LEU 1 2HD2 LEU 1 -15.594 -16.204 8.199 13 3HD2 LEU 1 3HD2 LEU 1 -17.193 -16.552 8.855 14 H GLY 2 H GLY 2 -17.650 -16.463 3.688 15 1HA GLY 2 1HA GLY 2 -15.076 -16.421 3.245 16 2HA GLY 2 2HA GLY 2 -15.485 -14.914 2.431 17 H ALA 3 H ALA 3 -14.302 -17.081 1.111 18 HA ALA 3 HA ALA 3 -16.116 -18.801 -0.202 19 1HB ALA 3 1HB ALA 3 -15.889 -17.522 -2.480 20 2HB ALA 3 2HB ALA 3 -15.686 -16.106 -1.448 21 3HB ALA 3 3HB ALA 3 -17.162 -17.066 -1.348 22 H SER 4 H SER 4 -15.135 -19.765 -2.197 23 HA SER 4 HA SER 4 -12.441 -20.495 -1.700 24 1HB SER 4 1HB SER 4 -14.099 -20.849 -4.207 25 2HB SER 4 2HB SER 4 -12.567 -21.655 -3.878 26 HG SER 4 HG SER 4 -15.055 -22.265 -3.026 27 H TRP 5 H TRP 5 -10.747 -20.357 -3.484 28 HA TRP 5 HA TRP 5 -10.809 -17.841 -4.981 29 1HB TRP 5 1HB TRP 5 -8.555 -17.206 -4.094 30 2HB TRP 5 2HB TRP 5 -9.838 -17.116 -2.887 31 HD1 TRP 5 HD1 TRP 5 -9.912 -19.018 -1.013 32 HE1 TRP 5 HE1 TRP 5 -8.085 -20.599 -0.111 33 HE3 TRP 5 HE3 TRP 5 -6.435 -18.557 -4.725 34 HZ2 TRP 5 HZ2 TRP 5 -5.492 -21.543 -0.866 35 HZ3 TRP 5 HZ3 TRP 5 -4.298 -19.807 -4.609 36 HH2 TRP 5 HH2 TRP 5 -3.822 -21.298 -2.686 37 H HIS 6 H HIS 6 -10.165 -18.299 -6.966 38 HA HIS 6 HA HIS 6 -8.093 -20.381 -7.340 39 1HB HIS 6 1HB HIS 6 -10.552 -20.864 -8.115 40 2HB HIS 6 2HB HIS 6 -10.137 -19.795 -9.455 41 HD1 HIS 6 HD1 HIS 6 -9.622 -21.315 -11.374 42 HD2 HIS 6 HD2 HIS 6 -7.848 -22.636 -7.841 43 HE1 HIS 6 HE1 HIS 6 -8.186 -23.306 -11.996 44 H ARG 7 H ARG 7 -6.898 -20.149 -9.409 45 HA ARG 7 HA ARG 7 -5.532 -18.929 -10.799 46 1HB ARG 7 1HB ARG 7 -7.948 -18.187 -11.545 47 2HB ARG 7 2HB ARG 7 -7.482 -16.657 -10.802 48 1HG ARG 7 1HG ARG 7 -6.704 -16.333 -12.967 49 2HG ARG 7 2HG ARG 7 -5.267 -17.011 -12.202 50 1HD ARG 7 1HD ARG 7 -5.632 -18.179 -14.291 51 2HD ARG 7 2HD ARG 7 -5.998 -19.280 -12.967 52 HE ARG 7 HE ARG 7 -8.375 -17.963 -13.740 53 1HH1 ARG 7 1HH1 ARG 7 -6.091 -20.326 -14.945 54 2HH1 ARG 7 2HH1 ARG 7 -7.271 -21.135 -15.919 55 1HH2 ARG 7 1HH2 ARG 7 -9.880 -19.046 -15.023 56 2HH2 ARG 7 2HH2 ARG 7 -9.397 -20.418 -15.965 57 HA PRO 8 HA PRO 8 -4.081 -16.238 -7.370 58 1HB PRO 8 1HB PRO 8 -1.571 -17.306 -7.204 59 2HB PRO 8 2HB PRO 8 -2.977 -17.966 -6.356 60 1HG PRO 8 1HG PRO 8 -1.546 -19.022 -8.719 61 2HG PRO 8 2HG PRO 8 -2.523 -19.877 -7.516 62 1HD PRO 8 1HD PRO 8 -3.332 -19.120 -10.141 63 2HD PRO 8 2HD PRO 8 -4.367 -19.788 -8.857 64 H ASP 9 H ASP 9 -4.168 -14.504 -8.955 65 HA ASP 9 HA ASP 9 -1.998 -14.136 -10.823 66 1HB ASP 9 1HB ASP 9 -4.427 -12.586 -10.035 67 2HB ASP 9 2HB ASP 9 -3.113 -11.734 -10.848 68 H LYS 10 H LYS 10 -3.151 -11.961 -8.265 69 HA LYS 10 HA LYS 10 -0.735 -11.825 -6.819 70 1HB LYS 10 1HB LYS 10 -0.042 -9.501 -7.544 71 2HB LYS 10 2HB LYS 10 0.296 -10.780 -8.708 72 1HG LYS 10 1HG LYS 10 -1.197 -9.974 -10.228 73 2HG LYS 10 2HG LYS 10 -2.368 -9.529 -8.988 74 1HD LYS 10 1HD LYS 10 -0.975 -7.561 -8.399 75 2HD LYS 10 2HD LYS 10 0.152 -7.993 -9.685 76 1HE LYS 10 1HE LYS 10 -1.772 -7.852 -11.311 77 2HE LYS 10 2HE LYS 10 -2.756 -7.205 -9.998 78 1HZ LYS 10 1HZ LYS 10 -0.167 -6.015 -10.815 79 2HZ LYS 10 2HZ LYS 10 -1.659 -5.513 -11.457 80 3HZ LYS 10 3HZ LYS 10 -1.349 -5.340 -9.798 81 H CYS 11 H CYS 11 -2.259 -11.871 -5.151 82 HA CYS 11 HA CYS 11 -3.749 -9.338 -4.752 83 1HB CYS 11 1HB CYS 11 -4.429 -12.036 -3.558 84 2HB CYS 11 2HB CYS 11 -5.385 -10.559 -3.466 85 H CYS 12 H CYS 12 -0.937 -10.075 -4.012 86 HA CYS 12 HA CYS 12 0.495 -9.767 -2.245 87 1HB CYS 12 1HB CYS 12 -1.182 -7.755 -2.002 88 2HB CYS 12 2HB CYS 12 -1.729 -8.646 -0.582 89 H LEU 13 H LEU 13 1.010 -10.507 -0.076 90 HA LEU 13 HA LEU 13 -0.647 -12.832 0.694 91 1HB LEU 13 1HB LEU 13 2.298 -12.288 0.892 92 2HB LEU 13 2HB LEU 13 1.533 -13.501 1.895 93 HG LEU 13 HG LEU 13 0.658 -14.454 -0.379 94 1HD1 LEU 13 1HD1 LEU 13 1.787 -12.253 -1.427 95 2HD1 LEU 13 2HD1 LEU 13 3.186 -13.326 -1.486 96 3HD1 LEU 13 3HD1 LEU 13 1.696 -13.773 -2.317 97 1HD2 LEU 13 1HD2 LEU 13 3.524 -14.594 0.599 98 2HD2 LEU 13 2HD2 LEU 13 2.200 -15.691 0.994 99 3HD2 LEU 13 3HD2 LEU 13 2.874 -15.674 -0.636 100 H GLY 14 H GLY 14 0.995 -9.953 1.840 101 1HA GLY 14 1HA GLY 14 1.181 -9.950 4.462 102 2HA GLY 14 2HA GLY 14 -0.569 -10.087 4.323 103 H TYR 15 H TYR 15 0.487 -7.941 5.629 104 HA TYR 15 HA TYR 15 0.448 -5.697 3.720 105 1HB TYR 15 1HB TYR 15 -1.327 -5.912 6.166 106 2HB TYR 15 2HB TYR 15 -1.158 -4.480 5.150 107 HD1 TYR 15 HD1 TYR 15 -2.178 -8.067 5.111 108 HD2 TYR 15 HD2 TYR 15 -2.365 -4.265 3.120 109 HE1 TYR 15 HE1 TYR 15 -3.882 -8.967 3.549 110 HE2 TYR 15 HE2 TYR 15 -4.067 -5.165 1.559 111 HH TYR 15 HH TYR 15 -4.617 -7.742 0.727 112 H GLN 16 H GLN 16 0.968 -3.599 4.879 113 HA GLN 16 HA GLN 16 3.424 -3.905 6.278 114 1HB GLN 16 1HB GLN 16 2.455 -1.874 4.860 115 2HB GLN 16 2HB GLN 16 1.921 -1.333 6.446 116 1HG GLN 16 1HG GLN 16 4.131 -0.413 6.000 117 2HG GLN 16 2HG GLN 16 4.257 -1.613 7.283 118 2HE2 GLN 16 2HE2 GLN 16 5.446 -3.558 6.848 119 1HE2 GLN 16 1HE2 GLN 16 6.309 -3.797 5.406 120 H LYS 17 H LYS 17 3.687 -4.438 8.326 121 HA LYS 17 HA LYS 17 1.512 -4.298 10.219 122 1HB LYS 17 1HB LYS 17 3.357 -6.092 10.116 123 2HB LYS 17 2HB LYS 17 4.381 -4.897 10.913 124 1HG LYS 17 1HG LYS 17 2.963 -4.801 12.822 125 2HG LYS 17 2HG LYS 17 1.659 -5.647 11.989 126 1HD LYS 17 1HD LYS 17 3.292 -7.618 11.776 127 2HD LYS 17 2HD LYS 17 4.286 -6.774 12.964 128 1HE LYS 17 1HE LYS 17 1.368 -7.472 13.389 129 2HE LYS 17 2HE LYS 17 2.714 -8.446 13.984 130 1HZ LYS 17 1HZ LYS 17 3.501 -6.252 15.018 131 2HZ LYS 17 2HZ LYS 17 1.906 -5.725 14.782 132 3HZ LYS 17 3HZ LYS 17 2.216 -7.078 15.762 133 H ARG 18 H ARG 18 3.904 -2.103 9.172 134 HA ARG 18 HA ARG 18 3.582 -0.528 11.656 135 1HB ARG 18 1HB ARG 18 5.932 -0.562 9.744 136 2HB ARG 18 2HB ARG 18 5.767 0.506 11.139 137 1HG ARG 18 1HG ARG 18 6.950 -1.180 12.157 138 2HG ARG 18 2HG ARG 18 5.331 -1.849 12.363 139 1HD ARG 18 1HD ARG 18 5.583 -3.195 10.352 140 2HD ARG 18 2HD ARG 18 7.142 -2.454 10.011 141 HE ARG 18 HE ARG 18 7.254 -3.610 12.577 142 1HH1 ARG 18 1HH1 ARG 18 6.978 -4.573 9.223 143 2HH1 ARG 18 2HH1 ARG 18 7.754 -6.098 9.480 144 1HH2 ARG 18 1HH2 ARG 18 8.260 -5.607 12.867 145 2HH2 ARG 18 2HH2 ARG 18 8.474 -6.680 11.525 146 HA PRO 19 HA PRO 19 1.877 2.567 8.994 147 1HB PRO 19 1HB PRO 19 2.179 4.764 10.592 148 2HB PRO 19 2HB PRO 19 0.981 3.494 10.879 149 1HG PRO 19 1HG PRO 19 3.470 4.079 12.344 150 2HG PRO 19 2HG PRO 19 2.021 3.218 12.882 151 1HD PRO 19 1HD PRO 19 4.501 2.064 12.045 152 2HD PRO 19 2HD PRO 19 2.995 1.206 12.448 153 H LEU 20 H LEU 20 2.505 3.894 7.360 154 HA LEU 20 HA LEU 20 5.310 4.831 7.367 155 1HB LEU 20 1HB LEU 20 3.726 4.808 4.858 156 2HB LEU 20 2HB LEU 20 5.429 4.500 5.107 157 HG LEU 20 HG LEU 20 3.130 2.587 5.557 158 1HD1 LEU 20 1HD1 LEU 20 5.488 2.694 3.659 159 2HD1 LEU 20 2HD1 LEU 20 4.496 1.254 3.885 160 3HD1 LEU 20 3HD1 LEU 20 3.774 2.732 3.244 161 1HD2 LEU 20 1HD2 LEU 20 5.886 2.634 6.643 162 2HD2 LEU 20 2HD2 LEU 20 4.461 1.777 7.227 163 3HD2 LEU 20 3HD2 LEU 20 5.406 1.111 5.897 164 HA PRO 21 HA PRO 21 3.740 8.972 7.245 165 1HB PRO 21 1HB PRO 21 5.951 10.274 6.292 166 2HB PRO 21 2HB PRO 21 5.821 9.631 7.939 167 1HG PRO 21 1HG PRO 21 7.395 8.615 5.653 168 2HG PRO 21 2HG PRO 21 7.656 8.395 7.388 169 1HD PRO 21 1HD PRO 21 6.511 6.508 5.581 170 2HD PRO 21 2HD PRO 21 6.603 6.371 7.352 171 H GLN 22 H GLN 22 2.565 10.200 5.859 172 HA GLN 22 HA GLN 22 2.408 9.512 3.084 173 1HB GLN 22 1HB GLN 22 0.536 10.418 4.587 174 2HB GLN 22 2HB GLN 22 1.259 12.006 4.329 175 1HG GLN 22 1HG GLN 22 0.834 10.363 1.892 176 2HG GLN 22 2HG GLN 22 -0.623 10.954 2.689 177 2HE2 GLN 22 2HE2 GLN 22 1.277 11.797 0.208 178 1HE2 GLN 22 1HE2 GLN 22 1.254 13.488 0.342 179 H VAL 23 H VAL 23 4.539 11.518 4.800 180 HA VAL 23 HA VAL 23 4.888 13.718 3.147 181 HB VAL 23 HB VAL 23 5.922 13.474 5.371 182 1HG1 VAL 23 1HG1 VAL 23 6.651 10.991 4.588 183 2HG1 VAL 23 2HG1 VAL 23 8.162 11.849 4.295 184 3HG1 VAL 23 3HG1 VAL 23 7.443 11.854 5.906 185 1HG2 VAL 23 1HG2 VAL 23 6.912 14.860 3.319 186 2HG2 VAL 23 2HG2 VAL 23 7.750 14.784 4.869 187 3HG2 VAL 23 3HG2 VAL 23 8.262 13.746 3.538 188 H LEU 24 H LEU 24 6.074 10.443 2.782 189 HA LEU 24 HA LEU 24 7.500 11.244 0.328 190 1HB LEU 24 1HB LEU 24 8.968 9.548 0.663 191 2HB LEU 24 2HB LEU 24 8.492 9.794 2.324 192 HG LEU 24 HG LEU 24 7.333 7.659 0.507 193 1HD1 LEU 24 1HD1 LEU 24 9.797 7.450 1.081 194 2HD1 LEU 24 2HD1 LEU 24 9.301 7.303 2.767 195 3HD1 LEU 24 3HD1 LEU 24 8.777 6.102 1.586 196 1HD2 LEU 24 1HD2 LEU 24 6.713 8.641 3.212 197 2HD2 LEU 24 2HD2 LEU 24 5.743 7.640 2.133 198 3HD2 LEU 24 3HD2 LEU 24 6.978 6.901 3.146 199 H LEU 25 H LEU 25 4.887 9.336 1.582 200 HA LEU 25 HA LEU 25 4.442 7.603 -0.543 201 1HB LEU 25 1HB LEU 25 3.228 7.962 1.806 202 2HB LEU 25 2HB LEU 25 2.059 8.746 0.770 203 HG LEU 25 HG LEU 25 1.678 6.711 -0.461 204 1HD1 LEU 25 1HD1 LEU 25 4.089 5.738 1.073 205 2HD1 LEU 25 2HD1 LEU 25 2.925 4.602 0.391 206 3HD1 LEU 25 3HD1 LEU 25 3.806 5.703 -0.668 207 1HD2 LEU 25 1HD2 LEU 25 1.616 6.660 2.519 208 2HD2 LEU 25 2HD2 LEU 25 0.289 6.531 1.365 209 3HD2 LEU 25 3HD2 LEU 25 1.314 5.134 1.689 210 H SER 26 H SER 26 3.303 7.642 -2.407 211 HA SER 26 HA SER 26 2.701 10.332 -3.462 212 1HB SER 26 1HB SER 26 4.255 8.444 -4.575 213 2HB SER 26 2HB SER 26 2.705 7.974 -5.267 214 HG SER 26 HG SER 26 2.558 9.885 -6.267 215 H SER 27 H SER 27 1.414 7.050 -4.064 216 HA SER 27 HA SER 27 -1.295 7.936 -3.451 217 1HB SER 27 1HB SER 27 -0.294 7.865 -6.173 218 2HB SER 27 2HB SER 27 -1.635 6.745 -5.969 219 HG SER 27 HG SER 27 -1.762 9.339 -6.242 220 H TRP 28 H TRP 28 -2.747 5.933 -4.543 221 HA TRP 28 HA TRP 28 -1.480 3.378 -3.852 222 1HB TRP 28 1HB TRP 28 -3.485 2.785 -2.429 223 2HB TRP 28 2HB TRP 28 -2.403 3.980 -1.720 224 HD1 TRP 28 HD1 TRP 28 -3.211 6.533 -1.719 225 HE1 TRP 28 HE1 TRP 28 -5.567 7.574 -1.813 226 HE3 TRP 28 HE3 TRP 28 -5.896 2.507 -3.372 227 HZ2 TRP 28 HZ2 TRP 28 -8.232 6.798 -2.509 228 HZ3 TRP 28 HZ3 TRP 28 -8.334 2.691 -3.742 229 HH2 TRP 28 HH2 TRP 28 -9.507 4.829 -3.310 230 H TYR 29 H TYR 29 -2.275 1.681 -5.006 231 HA TYR 29 HA TYR 29 -4.596 2.258 -6.740 232 1HB TYR 29 1HB TYR 29 -3.638 0.935 -8.485 233 2HB TYR 29 2HB TYR 29 -2.385 2.039 -7.934 234 HD1 TYR 29 HD1 TYR 29 -0.579 1.168 -6.350 235 HD2 TYR 29 HD2 TYR 29 -3.368 -1.416 -8.355 236 HE1 TYR 29 HE1 TYR 29 0.910 -0.766 -5.935 237 HE2 TYR 29 HE2 TYR 29 -1.876 -3.349 -7.935 238 HH TYR 29 HH TYR 29 0.998 -3.380 -7.448 239 HA PRO 30 HA PRO 30 -6.290 -1.259 -4.566 240 1HB PRO 30 1HB PRO 30 -8.716 -1.326 -5.818 241 2HB PRO 30 2HB PRO 30 -8.285 -0.146 -4.570 242 1HG PRO 30 1HG PRO 30 -8.583 0.234 -7.484 243 2HG PRO 30 2HG PRO 30 -8.720 1.414 -6.173 244 1HD PRO 30 1HD PRO 30 -6.488 1.034 -7.911 245 2HD PRO 30 2HD PRO 30 -6.566 2.092 -6.483 246 H THR 31 H THR 31 -6.678 -3.455 -4.869 247 HA THR 31 HA THR 31 -6.221 -4.474 -7.610 248 HB THR 31 HB THR 31 -4.401 -5.086 -6.109 249 HG1 THR 31 HG1 THR 31 -4.567 -7.319 -6.345 250 1HG2 THR 31 1HG2 THR 31 -6.669 -5.697 -4.297 251 2HG2 THR 31 2HG2 THR 31 -5.295 -6.800 -4.226 252 3HG2 THR 31 3HG2 THR 31 -5.061 -5.079 -3.920 253 H SER 32 H SER 32 -7.032 -6.945 -7.583 254 HA SER 32 HA SER 32 -9.843 -6.846 -7.627 255 1HB SER 32 1HB SER 32 -8.537 -9.489 -7.236 256 2HB SER 32 2HB SER 32 -9.759 -8.999 -8.405 257 HG SER 32 HG SER 32 -8.033 -9.044 -9.657 258 H GLN 33 H GLN 33 -11.373 -7.191 -6.134 259 HA GLN 33 HA GLN 33 -10.500 -7.791 -3.394 260 1HB GLN 33 1HB GLN 33 -12.077 -5.817 -4.144 261 2HB GLN 33 2HB GLN 33 -13.319 -7.068 -4.087 262 1HG GLN 33 1HG GLN 33 -12.920 -7.506 -1.781 263 2HG GLN 33 2HG GLN 33 -11.401 -6.611 -1.797 264 2HE2 GLN 33 2HE2 GLN 33 -14.924 -6.260 -1.752 265 1HE2 GLN 33 1HE2 GLN 33 -14.929 -4.602 -1.390 266 H LEU 34 H LEU 34 -10.848 -9.837 -5.603 267 HA LEU 34 HA LEU 34 -12.873 -11.525 -4.263 268 1HB LEU 34 1HB LEU 34 -11.848 -11.908 -7.066 269 2HB LEU 34 2HB LEU 34 -13.224 -12.682 -6.314 270 HG LEU 34 HG LEU 34 -14.107 -11.099 -7.842 271 1HD1 LEU 34 1HD1 LEU 34 -14.118 -9.992 -5.024 272 2HD1 LEU 34 2HD1 LEU 34 -15.130 -9.345 -6.316 273 3HD1 LEU 34 3HD1 LEU 34 -15.337 -11.014 -5.785 274 1HD2 LEU 34 1HD2 LEU 34 -11.748 -9.808 -7.667 275 2HD2 LEU 34 2HD2 LEU 34 -13.197 -9.046 -8.323 276 3HD2 LEU 34 3HD2 LEU 34 -12.724 -8.746 -6.650 277 H CYS 35 H CYS 35 -10.138 -11.165 -3.413 278 HA CYS 35 HA CYS 35 -8.974 -13.806 -4.063 279 1HB CYS 35 1HB CYS 35 -7.566 -11.432 -2.817 280 2HB CYS 35 2HB CYS 35 -6.826 -12.919 -3.406 281 H SER 36 H SER 36 -7.536 -14.585 -2.135 282 HA SER 36 HA SER 36 -9.262 -15.260 -0.007 283 1HB SER 36 1HB SER 36 -6.246 -15.337 0.114 284 2HB SER 36 2HB SER 36 -7.387 -16.350 0.993 285 HG SER 36 HG SER 36 -6.542 -16.457 -1.657 286 H LYS 37 H LYS 37 -6.800 -12.774 -0.367 287 HA LYS 37 HA LYS 37 -7.923 -11.327 1.899 288 1HB LYS 37 1HB LYS 37 -5.681 -11.003 2.946 289 2HB LYS 37 2HB LYS 37 -6.247 -12.672 3.030 290 1HG LYS 37 1HG LYS 37 -4.938 -12.782 0.675 291 2HG LYS 37 2HG LYS 37 -4.002 -11.509 1.460 292 1HD LYS 37 1HD LYS 37 -3.258 -12.909 3.156 293 2HD LYS 37 2HD LYS 37 -4.646 -13.989 3.015 294 1HE LYS 37 1HE LYS 37 -3.573 -14.338 0.564 295 2HE LYS 37 2HE LYS 37 -2.107 -13.955 1.468 296 1HZ LYS 37 1HZ LYS 37 -4.086 -16.022 2.260 297 2HZ LYS 37 2HZ LYS 37 -2.630 -16.344 1.444 298 3HZ LYS 37 3HZ LYS 37 -2.597 -15.702 3.014 299 HA PRO 38 HA PRO 38 -6.369 -8.664 -1.550 300 1HB PRO 38 1HB PRO 38 -8.743 -7.441 -2.121 301 2HB PRO 38 2HB PRO 38 -8.224 -8.970 -2.847 302 1HG PRO 38 1HG PRO 38 -10.292 -8.477 -0.793 303 2HG PRO 38 2HG PRO 38 -10.135 -9.817 -1.936 304 1HD PRO 38 1HD PRO 38 -9.446 -9.842 0.831 305 2HD PRO 38 2HD PRO 38 -9.109 -11.116 -0.366 306 H GLY 39 H GLY 39 -6.630 -6.211 -1.810 307 1HA GLY 39 1HA GLY 39 -5.964 -4.907 0.600 308 2HA GLY 39 2HA GLY 39 -7.646 -4.550 0.214 309 H VAL 40 H VAL 40 -4.916 -3.051 0.130 310 HA VAL 40 HA VAL 40 -4.937 -2.189 -2.678 311 HB VAL 40 HB VAL 40 -5.170 -0.207 -0.401 312 1HG1 VAL 40 1HG1 VAL 40 -4.071 0.183 -2.833 313 2HG1 VAL 40 2HG1 VAL 40 -5.764 0.471 -3.226 314 3HG1 VAL 40 3HG1 VAL 40 -4.973 1.430 -1.976 315 1HG2 VAL 40 1HG2 VAL 40 -7.207 -1.531 -2.146 316 2HG2 VAL 40 2HG2 VAL 40 -7.330 -1.041 -0.456 317 3HG2 VAL 40 3HG2 VAL 40 -7.431 0.170 -1.735 318 H ILE 41 H ILE 41 -2.992 -1.548 -3.415 319 HA ILE 41 HA ILE 41 -0.758 -1.631 -1.496 320 HB ILE 41 HB ILE 41 -0.894 -2.142 -4.474 321 1HG1 ILE 41 1HG1 ILE 41 0.275 -4.282 -3.557 322 2HG1 ILE 41 2HG1 ILE 41 -0.337 -3.746 -1.994 323 1HG2 ILE 41 1HG2 ILE 41 1.160 -0.830 -3.974 324 2HG2 ILE 41 2HG2 ILE 41 1.589 -2.001 -2.726 325 3HG2 ILE 41 3HG2 ILE 41 1.544 -2.494 -4.420 326 1HD1 ILE 41 1HD1 ILE 41 -2.175 -3.899 -4.373 327 2HD1 ILE 41 2HD1 ILE 41 -1.823 -5.341 -3.421 328 3HD1 ILE 41 3HD1 ILE 41 -2.581 -3.944 -2.658 329 H PHE 42 H PHE 42 0.532 0.090 -1.213 330 HA PHE 42 HA PHE 42 -0.298 2.614 -2.429 331 1HB PHE 42 1HB PHE 42 1.378 1.835 -0.074 332 2HB PHE 42 2HB PHE 42 1.620 3.421 -0.805 333 HD1 PHE 42 HD1 PHE 42 -0.870 1.194 0.808 334 HD2 PHE 42 HD2 PHE 42 -0.012 5.164 -0.589 335 HE1 PHE 42 HE1 PHE 42 -2.897 2.041 1.961 336 HE2 PHE 42 HE2 PHE 42 -2.037 6.008 0.566 337 HZ PHE 42 HZ PHE 42 -3.479 4.446 1.841 338 H LEU 43 H LEU 43 1.492 4.152 -3.016 339 HA LEU 43 HA LEU 43 3.848 2.844 -4.185 340 1HB LEU 43 1HB LEU 43 3.448 4.335 -6.241 341 2HB LEU 43 2HB LEU 43 2.556 2.836 -6.112 342 HG LEU 43 HG LEU 43 1.287 5.346 -5.095 343 1HD1 LEU 43 1HD1 LEU 43 2.301 5.785 -7.393 344 2HD1 LEU 43 2HD1 LEU 43 1.226 4.529 -8.008 345 3HD1 LEU 43 3HD1 LEU 43 0.552 5.987 -7.282 346 1HD2 LEU 43 1HD2 LEU 43 0.293 3.016 -4.889 347 2HD2 LEU 43 2HD2 LEU 43 -0.733 4.189 -5.715 348 3HD2 LEU 43 3HD2 LEU 43 0.170 2.995 -6.648 349 H THR 44 H THR 44 5.221 3.892 -2.787 350 HA THR 44 HA THR 44 4.964 6.600 -2.038 351 HB THR 44 HB THR 44 7.234 6.407 -1.185 352 HG1 THR 44 HG1 THR 44 7.244 4.052 -2.759 353 1HG2 THR 44 1HG2 THR 44 5.241 4.241 -0.788 354 2HG2 THR 44 2HG2 THR 44 6.860 3.940 -0.157 355 3HG2 THR 44 3HG2 THR 44 5.951 5.349 0.386 356 H LYS 45 H LYS 45 6.503 8.330 -2.551 357 HA LYS 45 HA LYS 45 6.489 8.994 -5.263 358 1HB LYS 45 1HB LYS 45 8.065 10.036 -2.921 359 2HB LYS 45 2HB LYS 45 8.319 10.675 -4.546 360 1HG LYS 45 1HG LYS 45 6.248 11.671 -4.630 361 2HG LYS 45 2HG LYS 45 5.497 10.433 -3.624 362 1HD LYS 45 1HD LYS 45 5.549 12.084 -2.040 363 2HD LYS 45 2HD LYS 45 7.206 11.518 -1.820 364 1HE LYS 45 1HE LYS 45 7.625 13.228 -3.851 365 2HE LYS 45 2HE LYS 45 6.209 13.999 -3.136 366 1HZ LYS 45 1HZ LYS 45 8.650 13.228 -1.632 367 2HZ LYS 45 2HZ LYS 45 8.319 14.795 -2.191 368 3HZ LYS 45 3HZ LYS 45 7.312 14.080 -1.023 369 H ARG 46 H ARG 46 9.303 8.011 -3.292 370 HA ARG 46 HA ARG 46 10.542 6.966 -5.768 371 1HB ARG 46 1HB ARG 46 11.538 9.149 -5.000 372 2HB ARG 46 2HB ARG 46 12.051 8.313 -3.533 373 1HG ARG 46 1HG ARG 46 13.524 6.897 -4.703 374 2HG ARG 46 2HG ARG 46 12.733 7.204 -6.250 375 1HD ARG 46 1HD ARG 46 13.690 9.339 -6.459 376 2HD ARG 46 2HD ARG 46 14.049 9.448 -4.739 377 HE ARG 46 HE ARG 46 15.477 7.306 -6.027 378 1HH1 ARG 46 1HH1 ARG 46 15.468 10.754 -5.422 379 2HH1 ARG 46 2HH1 ARG 46 17.182 10.904 -5.600 380 1HH2 ARG 46 1HH2 ARG 46 17.708 7.547 -6.251 381 2HH2 ARG 46 2HH2 ARG 46 18.441 9.105 -6.066 382 H GLY 47 H GLY 47 9.351 6.101 -2.797 383 1HA GLY 47 1HA GLY 47 9.844 4.437 -1.264 384 2HA GLY 47 2HA GLY 47 11.460 4.328 -1.951 385 H ARG 48 H ARG 48 8.478 2.828 -1.661 386 HA ARG 48 HA ARG 48 8.631 1.295 -4.136 387 1HB ARG 48 1HB ARG 48 9.593 0.273 -1.526 388 2HB ARG 48 2HB ARG 48 8.536 -0.813 -2.429 389 1HG ARG 48 1HG ARG 48 10.089 -0.139 -4.457 390 2HG ARG 48 2HG ARG 48 11.235 0.261 -3.177 391 1HD ARG 48 1HD ARG 48 10.547 -2.108 -2.242 392 2HD ARG 48 2HD ARG 48 10.067 -2.401 -3.910 393 HE ARG 48 HE ARG 48 12.702 -1.305 -3.791 394 1HH1 ARG 48 1HH1 ARG 48 10.893 -4.256 -3.265 395 2HH1 ARG 48 2HH1 ARG 48 12.248 -5.279 -3.593 396 1HH2 ARG 48 1HH2 ARG 48 14.443 -2.676 -4.211 397 2HH2 ARG 48 2HH2 ARG 48 14.242 -4.394 -4.124 398 H GLN 49 H GLN 49 7.007 -0.750 -3.671 399 HA GLN 49 HA GLN 49 4.460 0.548 -3.087 400 1HB GLN 49 1HB GLN 49 5.310 -1.966 -4.456 401 2HB GLN 49 2HB GLN 49 3.694 -1.911 -3.751 402 1HG GLN 49 1HG GLN 49 3.173 -0.998 -5.790 403 2HG GLN 49 2HG GLN 49 3.705 0.483 -4.991 404 2HE2 GLN 49 2HE2 GLN 49 4.864 1.608 -6.577 405 1HE2 GLN 49 1HE2 GLN 49 6.114 0.936 -7.509 406 H VAL 50 H VAL 50 2.859 -0.520 -1.703 407 HA VAL 50 HA VAL 50 3.851 -2.440 0.255 408 HB VAL 50 HB VAL 50 2.960 0.328 1.106 409 1HG1 VAL 50 1HG1 VAL 50 3.662 -2.186 2.634 410 2HG1 VAL 50 2HG1 VAL 50 3.740 -0.588 3.378 411 3HG1 VAL 50 3HG1 VAL 50 2.204 -1.201 2.766 412 1HG2 VAL 50 1HG2 VAL 50 5.648 -1.064 1.112 413 2HG2 VAL 50 2HG2 VAL 50 5.222 0.447 0.306 414 3HG2 VAL 50 3HG2 VAL 50 5.310 0.381 2.067 415 H CYS 51 H CYS 51 2.266 -3.751 0.887 416 HA CYS 51 HA CYS 51 -0.440 -3.327 -0.044 417 1HB CYS 51 1HB CYS 51 0.829 -5.483 1.664 418 2HB CYS 51 2HB CYS 51 -0.873 -5.479 1.206 419 H ALA 52 H ALA 52 -2.018 -2.315 1.069 420 HA ALA 52 HA ALA 52 -1.699 -2.087 4.003 421 1HB ALA 52 1HB ALA 52 -1.251 0.027 2.417 422 2HB ALA 52 2HB ALA 52 -3.004 0.155 2.559 423 3HB ALA 52 3HB ALA 52 -1.998 0.177 4.007 424 H ASP 53 H ASP 53 -3.419 -2.602 5.156 425 HA ASP 53 HA ASP 53 -5.930 -3.196 3.743 426 1HB ASP 53 1HB ASP 53 -4.649 -4.157 6.257 427 2HB ASP 53 2HB ASP 53 -6.411 -4.092 6.222 428 H LYS 54 H LYS 54 -7.557 -1.797 3.852 429 HA LYS 54 HA LYS 54 -7.458 0.663 5.153 430 1HB LYS 54 1HB LYS 54 -9.917 0.774 4.764 431 2HB LYS 54 2HB LYS 54 -9.016 0.271 3.333 432 1HG LYS 54 1HG LYS 54 -9.462 -2.154 4.343 433 2HG LYS 54 2HG LYS 54 -10.830 -1.329 5.091 434 1HD LYS 54 1HD LYS 54 -10.204 -1.220 2.128 435 2HD LYS 54 2HD LYS 54 -11.367 -2.333 2.849 436 1HE LYS 54 1HE LYS 54 -12.894 -0.672 3.291 437 2HE LYS 54 2HE LYS 54 -11.648 0.549 3.549 438 1HZ LYS 54 1HZ LYS 54 -11.247 0.593 1.168 439 2HZ LYS 54 2HZ LYS 54 -12.448 -0.583 0.922 440 3HZ LYS 54 3HZ LYS 54 -12.869 0.955 1.508 441 H SER 55 H SER 55 -8.319 -2.454 6.426 442 HA SER 55 HA SER 55 -9.962 -1.761 8.578 443 1HB SER 55 1HB SER 55 -8.867 -4.092 7.694 444 2HB SER 55 2HB SER 55 -7.930 -3.817 9.156 445 HG SER 55 HG SER 55 -10.115 -4.939 9.234 446 H LYS 56 H LYS 56 -6.511 -1.409 8.136 447 HA LYS 56 HA LYS 56 -5.771 -0.976 10.835 448 1HB LYS 56 1HB LYS 56 -4.508 0.207 8.347 449 2HB LYS 56 2HB LYS 56 -3.752 0.051 9.933 450 1HG LYS 56 1HG LYS 56 -4.872 -2.433 8.733 451 2HG LYS 56 2HG LYS 56 -3.408 -1.782 7.997 452 1HD LYS 56 1HD LYS 56 -2.557 -1.596 10.464 453 2HD LYS 56 2HD LYS 56 -3.828 -2.768 10.806 454 1HE LYS 56 1HE LYS 56 -2.890 -4.358 9.263 455 2HE LYS 56 2HE LYS 56 -1.752 -3.165 8.639 456 1HZ LYS 56 1HZ LYS 56 -1.805 -4.142 11.442 457 2HZ LYS 56 2HZ LYS 56 -0.744 -4.709 10.243 458 3HZ LYS 56 3HZ LYS 56 -0.658 -3.095 10.756 459 H ASP 57 H ASP 57 -4.594 1.419 11.102 460 HA ASP 57 HA ASP 57 -6.867 3.302 10.926 461 1HB ASP 57 1HB ASP 57 -4.537 3.340 12.858 462 2HB ASP 57 2HB ASP 57 -5.921 4.432 12.867 463 H TRP 58 H TRP 58 -3.328 3.074 10.666 464 HA TRP 58 HA TRP 58 -3.039 5.763 9.728 465 1HB TRP 58 1HB TRP 58 -0.730 5.106 9.150 466 2HB TRP 58 2HB TRP 58 -1.154 4.667 10.800 467 HD1 TRP 58 HD1 TRP 58 -1.435 2.097 11.370 468 HE1 TRP 58 HE1 TRP 58 -0.622 -0.031 10.166 469 HE3 TRP 58 HE3 TRP 58 -0.332 4.044 6.787 470 HZ2 TRP 58 HZ2 TRP 58 0.368 -0.810 7.580 471 HZ3 TRP 58 HZ3 TRP 58 0.546 2.599 4.977 472 HH2 TRP 58 HH2 TRP 58 0.893 0.178 5.368 473 H VAL 59 H VAL 59 -3.705 2.698 8.218 474 HA VAL 59 HA VAL 59 -3.002 3.492 5.556 475 HB VAL 59 HB VAL 59 -4.967 1.351 6.404 476 1HG1 VAL 59 1HG1 VAL 59 -3.312 1.768 3.895 477 2HG1 VAL 59 2HG1 VAL 59 -4.307 0.350 4.224 478 3HG1 VAL 59 3HG1 VAL 59 -5.064 1.930 4.023 479 1HG2 VAL 59 1HG2 VAL 59 -2.742 1.101 7.495 480 2HG2 VAL 59 2HG2 VAL 59 -3.058 -0.181 6.324 481 3HG2 VAL 59 3HG2 VAL 59 -1.982 1.151 5.904 482 H LYS 60 H LYS 60 -5.914 3.565 7.527 483 HA LYS 60 HA LYS 60 -7.762 4.263 5.522 484 1HB LYS 60 1HB LYS 60 -8.210 3.588 7.969 485 2HB LYS 60 2HB LYS 60 -7.924 5.285 8.352 486 1HG LYS 60 1HG LYS 60 -9.792 6.012 7.145 487 2HG LYS 60 2HG LYS 60 -9.832 4.559 6.145 488 1HD LYS 60 1HD LYS 60 -10.277 3.350 8.446 489 2HD LYS 60 2HD LYS 60 -10.814 4.951 8.952 490 1HE LYS 60 1HE LYS 60 -12.545 5.011 7.358 491 2HE LYS 60 2HE LYS 60 -11.810 3.740 6.379 492 1HZ LYS 60 1HZ LYS 60 -12.179 2.253 8.368 493 2HZ LYS 60 2HZ LYS 60 -13.183 3.476 8.988 494 3HZ LYS 60 3HZ LYS 60 -13.571 2.727 7.517 495 H LYS 61 H LYS 61 -5.873 6.326 7.733 496 HA LYS 61 HA LYS 61 -6.825 8.790 6.724 497 1HB LYS 61 1HB LYS 61 -4.393 7.959 8.274 498 2HB LYS 61 2HB LYS 61 -4.490 9.595 7.619 499 1HG LYS 61 1HG LYS 61 -6.791 8.440 9.180 500 2HG LYS 61 2HG LYS 61 -5.417 9.165 10.016 501 1HD LYS 61 1HD LYS 61 -5.740 11.224 8.596 502 2HD LYS 61 2HD LYS 61 -7.230 10.500 7.988 503 1HE LYS 61 1HE LYS 61 -8.130 10.381 10.268 504 2HE LYS 61 2HE LYS 61 -6.629 11.048 10.910 505 1HZ LYS 61 1HZ LYS 61 -7.059 12.990 9.376 506 2HZ LYS 61 2HZ LYS 61 -8.632 12.376 9.185 507 3HZ LYS 61 3HZ LYS 61 -8.083 12.853 10.721 508 H LEU 62 H LEU 62 -4.290 6.611 5.685 509 HA LEU 62 HA LEU 62 -2.988 8.371 3.872 510 1HB LEU 62 1HB LEU 62 -3.186 5.390 4.092 511 2HB LEU 62 2HB LEU 62 -2.393 6.138 2.725 512 HG LEU 62 HG LEU 62 -1.585 6.592 5.601 513 1HD1 LEU 62 1HD1 LEU 62 -0.528 4.707 3.478 514 2HD1 LEU 62 2HD1 LEU 62 0.317 5.074 4.981 515 3HD1 LEU 62 3HD1 LEU 62 -1.247 4.259 5.024 516 1HD2 LEU 62 1HD2 LEU 62 -0.602 7.475 2.908 517 2HD2 LEU 62 2HD2 LEU 62 -0.690 8.385 4.416 518 3HD2 LEU 62 3HD2 LEU 62 0.583 7.187 4.182 519 H MET 63 H MET 63 -5.349 5.770 3.360 520 HA MET 63 HA MET 63 -5.803 6.073 0.641 521 1HB MET 63 1HB MET 63 -7.797 5.365 2.801 522 2HB MET 63 2HB MET 63 -8.088 5.170 1.077 523 1HG MET 63 1HG MET 63 -5.788 3.883 2.574 524 2HG MET 63 2HG MET 63 -7.298 3.065 2.181 525 1HE MET 63 1HE MET 63 -8.085 2.334 0.288 526 2HE MET 63 2HE MET 63 -8.065 3.634 -0.902 527 3HE MET 63 3HE MET 63 -7.270 2.104 -1.266 528 H GLN 64 H GLN 64 -7.297 7.827 3.319 529 HA GLN 64 HA GLN 64 -8.975 9.420 1.584 530 1HB GLN 64 1HB GLN 64 -8.323 9.525 4.528 531 2HB GLN 64 2HB GLN 64 -9.303 10.765 3.743 532 1HG GLN 64 1HG GLN 64 -10.832 8.971 2.914 533 2HG GLN 64 2HG GLN 64 -9.893 7.792 3.830 534 2HE2 GLN 64 2HE2 GLN 64 -9.988 7.910 6.198 535 1HE2 GLN 64 1HE2 GLN 64 -11.222 8.774 6.978 536 H GLN 65 H GLN 65 -5.822 9.701 3.079 537 HA GLN 65 HA GLN 65 -5.492 12.507 2.674 538 1HB GLN 65 1HB GLN 65 -3.707 10.222 3.380 539 2HB GLN 65 2HB GLN 65 -2.967 11.719 2.816 540 1HG GLN 65 1HG GLN 65 -5.112 12.093 4.815 541 2HG GLN 65 2HG GLN 65 -3.692 11.240 5.415 542 2HE2 GLN 65 2HE2 GLN 65 -2.411 12.770 6.462 543 1HE2 GLN 65 1HE2 GLN 65 -2.021 14.298 5.833 544 H LEU 66 H LEU 66 -4.490 9.629 0.866 545 HA LEU 66 HA LEU 66 -3.421 11.290 -1.295 546 1HB LEU 66 1HB LEU 66 -3.454 8.324 -0.783 547 2HB LEU 66 2HB LEU 66 -2.949 8.997 -2.317 548 HG LEU 66 HG LEU 66 -1.089 10.143 -1.247 549 1HD1 LEU 66 1HD1 LEU 66 -2.539 9.290 1.222 550 2HD1 LEU 66 2HD1 LEU 66 -0.780 9.352 1.282 551 3HD1 LEU 66 3HD1 LEU 66 -1.700 10.802 0.883 552 1HD2 LEU 66 1HD2 LEU 66 -1.518 7.222 -0.923 553 2HD2 LEU 66 2HD2 LEU 66 -0.234 8.082 -1.769 554 3HD2 LEU 66 3HD2 LEU 66 -0.168 7.902 -0.017 555 HA PRO 67 HA PRO 67 -7.092 10.852 -3.702 556 1HB PRO 67 1HB PRO 67 -6.078 11.160 -6.227 557 2HB PRO 67 2HB PRO 67 -6.281 12.487 -5.074 558 1HG PRO 67 1HG PRO 67 -3.803 11.128 -5.954 559 2HG PRO 67 2HG PRO 67 -4.029 12.765 -5.321 560 1HD PRO 67 1HD PRO 67 -3.038 10.526 -3.884 561 2HD PRO 67 2HD PRO 67 -3.510 12.099 -3.201 562 H VAL 68 H VAL 68 -4.799 9.419 -5.999 563 HA VAL 68 HA VAL 68 -5.122 6.724 -5.571 564 HB VAL 68 HB VAL 68 -7.547 7.926 -6.756 565 1HG1 VAL 68 1HG1 VAL 68 -6.573 7.002 -8.848 566 2HG1 VAL 68 2HG1 VAL 68 -6.434 5.426 -8.068 567 3HG1 VAL 68 3HG1 VAL 68 -8.025 6.132 -8.353 568 1HG2 VAL 68 1HG2 VAL 68 -6.737 5.716 -5.028 569 2HG2 VAL 68 2HG2 VAL 68 -8.265 6.593 -5.087 570 3HG2 VAL 68 3HG2 VAL 68 -7.991 5.231 -6.170 571 H THR 69 H THR 69 -4.513 5.423 -7.513 572 HA THR 69 HA THR 69 -2.418 6.777 -8.945 573 HB THR 69 HB THR 69 -2.477 4.411 -10.175 574 HG1 THR 69 HG1 THR 69 -4.168 3.419 -9.355 575 1HG2 THR 69 1HG2 THR 69 -1.565 4.986 -7.347 576 2HG2 THR 69 2HG2 THR 69 -1.101 3.539 -8.243 577 3HG2 THR 69 3HG2 THR 69 -0.618 5.131 -8.827 578 H ALA 70 H ALA 70 -2.667 7.902 -10.745 579 HA ALA 70 HA ALA 70 -4.310 6.947 -12.917 580 1HB ALA 70 1HB ALA 70 -5.940 8.619 -12.989 581 2HB ALA 70 2HB ALA 70 -5.852 8.249 -11.267 582 3HB ALA 70 3HB ALA 70 -5.042 9.679 -11.905 583 H ARG 71 H ARG 71 -4.457 9.001 -14.559 584 HA ARG 71 HA ARG 71 -1.807 9.416 -15.440 585 1HB ARG 71 1HB ARG 71 -4.171 9.633 -16.665 586 2HB ARG 71 2HB ARG 71 -3.923 11.336 -16.279 587 1HG ARG 71 1HG ARG 71 -1.624 11.149 -17.305 588 2HG ARG 71 2HG ARG 71 -2.067 9.532 -17.853 589 1HD ARG 71 1HD ARG 71 -3.445 12.127 -18.585 590 2HD ARG 71 2HD ARG 71 -2.480 11.113 -19.653 591 HE ARG 71 HE ARG 71 -4.452 9.434 -18.775 592 1HH1 ARG 71 1HH1 ARG 71 -4.434 12.596 -20.275 593 2HH1 ARG 71 2HH1 ARG 71 -5.956 12.356 -21.062 594 1HH2 ARG 71 1HH2 ARG 71 -6.433 9.163 -19.818 595 2HH2 ARG 71 2HH2 ARG 71 -7.079 10.430 -20.806 No H/Q in entry = 595 Start of MODEL 32 1 H1 LEU 1 H1 LEU 1 -12.316 -11.605 -21.653 2 H2 LEU 1 H2 LEU 1 -12.692 -12.254 -20.132 3 H3 LEU 1 H3 LEU 1 -13.891 -11.456 -21.033 4 HA LEU 1 HA LEU 1 -12.754 -9.363 -20.805 5 1HB LEU 1 1HB LEU 1 -14.215 -10.543 -18.900 6 2HB LEU 1 2HB LEU 1 -12.687 -10.446 -18.023 7 HG LEU 1 HG LEU 1 -13.650 -8.020 -19.491 8 1HD1 LEU 1 1HD1 LEU 1 -15.551 -9.034 -18.078 9 2HD1 LEU 1 2HD1 LEU 1 -14.553 -8.646 -16.677 10 3HD1 LEU 1 3HD1 LEU 1 -15.115 -7.359 -17.744 11 1HD2 LEU 1 1HD2 LEU 1 -12.090 -8.574 -16.950 12 2HD2 LEU 1 2HD2 LEU 1 -11.463 -7.923 -18.465 13 3HD2 LEU 1 3HD2 LEU 1 -12.555 -6.955 -17.474 14 H GLY 2 H GLY 2 -11.157 -11.888 -18.851 15 1HA GLY 2 1HA GLY 2 -8.533 -11.041 -19.694 16 2HA GLY 2 2HA GLY 2 -8.897 -12.306 -18.524 17 H ALA 3 H ALA 3 -6.818 -10.769 -17.913 18 HA ALA 3 HA ALA 3 -7.686 -8.539 -16.229 19 1HB ALA 3 1HB ALA 3 -7.886 -10.067 -14.510 20 2HB ALA 3 2HB ALA 3 -6.682 -11.157 -15.195 21 3HB ALA 3 3HB ALA 3 -6.171 -9.680 -14.377 22 H SER 4 H SER 4 -4.964 -10.661 -17.101 23 HA SER 4 HA SER 4 -3.391 -8.548 -18.151 24 1HB SER 4 1HB SER 4 -1.565 -8.885 -16.282 25 2HB SER 4 2HB SER 4 -2.854 -7.706 -16.063 26 HG SER 4 HG SER 4 -3.078 -8.847 -14.273 27 H TRP 5 H TRP 5 -1.258 -9.274 -18.817 28 HA TRP 5 HA TRP 5 -1.289 -11.953 -19.780 29 1HB TRP 5 1HB TRP 5 -0.044 -9.799 -20.675 30 2HB TRP 5 2HB TRP 5 1.258 -10.391 -19.642 31 HD1 TRP 5 HD1 TRP 5 -0.976 -11.557 -22.556 32 HE1 TRP 5 HE1 TRP 5 0.292 -13.378 -23.869 33 HE3 TRP 5 HE3 TRP 5 3.159 -12.060 -19.601 34 HZ2 TRP 5 HZ2 TRP 5 2.737 -14.854 -23.689 35 HZ3 TRP 5 HZ3 TRP 5 4.940 -13.677 -20.194 36 HH2 TRP 5 HH2 TRP 5 4.734 -15.074 -22.233 37 H HIS 6 H HIS 6 0.188 -10.361 -17.028 38 HA HIS 6 HA HIS 6 0.914 -12.992 -15.944 39 1HB HIS 6 1HB HIS 6 3.111 -12.075 -15.170 40 2HB HIS 6 2HB HIS 6 2.995 -12.241 -16.921 41 HD1 HIS 6 HD1 HIS 6 3.345 -9.719 -14.213 42 HD2 HIS 6 HD2 HIS 6 2.664 -9.728 -18.327 43 HE1 HIS 6 HE1 HIS 6 3.714 -7.342 -15.006 44 H ARG 7 H ARG 7 0.519 -13.173 -13.815 45 HA ARG 7 HA ARG 7 -0.066 -10.698 -12.301 46 1HB ARG 7 1HB ARG 7 -1.540 -13.329 -12.026 47 2HB ARG 7 2HB ARG 7 -1.894 -11.824 -11.177 48 1HG ARG 7 1HG ARG 7 -2.610 -10.742 -13.172 49 2HG ARG 7 2HG ARG 7 -1.912 -12.000 -14.193 50 1HD ARG 7 1HD ARG 7 -3.573 -13.532 -12.752 51 2HD ARG 7 2HD ARG 7 -4.453 -12.012 -12.637 52 HE ARG 7 HE ARG 7 -5.064 -12.295 -14.846 53 1HH1 ARG 7 1HH1 ARG 7 -2.173 -14.166 -14.219 54 2HH1 ARG 7 2HH1 ARG 7 -2.150 -14.872 -15.797 55 1HH2 ARG 7 1HH2 ARG 7 -4.997 -13.239 -16.893 56 2HH2 ARG 7 2HH2 ARG 7 -3.734 -14.352 -17.301 57 HA PRO 8 HA PRO 8 3.009 -13.145 -9.925 58 1HB PRO 8 1HB PRO 8 4.621 -11.034 -9.281 59 2HB PRO 8 2HB PRO 8 4.759 -11.951 -10.788 60 1HG PRO 8 1HG PRO 8 3.700 -9.227 -10.340 61 2HG PRO 8 2HG PRO 8 4.390 -9.943 -11.805 62 1HD PRO 8 1HD PRO 8 1.624 -9.552 -11.239 63 2HD PRO 8 2HD PRO 8 2.317 -10.456 -12.606 64 H ASP 9 H ASP 9 0.935 -13.139 -8.545 65 HA ASP 9 HA ASP 9 -0.049 -12.878 -6.482 66 1HB ASP 9 1HB ASP 9 2.658 -11.739 -5.743 67 2HB ASP 9 2HB ASP 9 1.402 -12.220 -4.602 68 H LYS 10 H LYS 10 -1.515 -11.326 -7.328 69 HA LYS 10 HA LYS 10 -0.840 -8.498 -6.900 70 1HB LYS 10 1HB LYS 10 -3.231 -9.790 -8.235 71 2HB LYS 10 2HB LYS 10 -2.972 -8.051 -8.089 72 1HG LYS 10 1HG LYS 10 -0.608 -8.705 -9.162 73 2HG LYS 10 2HG LYS 10 -1.564 -10.038 -9.811 74 1HD LYS 10 1HD LYS 10 -2.864 -8.657 -11.115 75 2HD LYS 10 2HD LYS 10 -2.742 -7.305 -9.988 76 1HE LYS 10 1HE LYS 10 -0.160 -7.470 -10.728 77 2HE LYS 10 2HE LYS 10 -0.910 -8.103 -12.194 78 1HZ LYS 10 1HZ LYS 10 -1.753 -5.577 -10.890 79 2HZ LYS 10 2HZ LYS 10 -0.608 -5.642 -12.140 80 3HZ LYS 10 3HZ LYS 10 -2.204 -6.152 -12.424 81 H CYS 11 H CYS 11 -2.960 -11.051 -5.767 82 HA CYS 11 HA CYS 11 -4.754 -9.515 -4.239 83 1HB CYS 11 1HB CYS 11 -3.744 -12.308 -3.653 84 2HB CYS 11 2HB CYS 11 -5.224 -11.580 -3.033 85 H CYS 12 H CYS 12 -1.549 -10.796 -3.526 86 HA CYS 12 HA CYS 12 -0.067 -10.370 -1.821 87 1HB CYS 12 1HB CYS 12 -0.982 -7.947 -2.488 88 2HB CYS 12 2HB CYS 12 -1.635 -8.028 -0.852 89 H LEU 13 H LEU 13 -0.157 -11.841 -0.256 90 HA LEU 13 HA LEU 13 -2.510 -12.097 1.441 91 1HB LEU 13 1HB LEU 13 0.084 -13.619 1.279 92 2HB LEU 13 2HB LEU 13 -1.133 -13.941 2.494 93 HG LEU 13 HG LEU 13 -1.310 -15.540 0.663 94 1HD1 LEU 13 1HD1 LEU 13 -3.379 -14.720 1.812 95 2HD1 LEU 13 2HD1 LEU 13 -3.573 -13.524 0.530 96 3HD1 LEU 13 3HD1 LEU 13 -3.672 -15.244 0.154 97 1HD2 LEU 13 1HD2 LEU 13 -0.378 -13.748 -1.002 98 2HD2 LEU 13 2HD2 LEU 13 -1.548 -14.929 -1.592 99 3HD2 LEU 13 3HD2 LEU 13 -2.072 -13.292 -1.192 100 H GLY 14 H GLY 14 0.791 -10.933 1.630 101 1HA GLY 14 1HA GLY 14 2.011 -10.272 3.555 102 2HA GLY 14 2HA GLY 14 0.543 -10.436 4.514 103 H TYR 15 H TYR 15 1.529 -8.263 5.219 104 HA TYR 15 HA TYR 15 0.875 -6.055 3.406 105 1HB TYR 15 1HB TYR 15 -0.435 -6.462 6.104 106 2HB TYR 15 2HB TYR 15 -0.464 -4.940 5.212 107 HD1 TYR 15 HD1 TYR 15 -1.617 -8.447 5.250 108 HD2 TYR 15 HD2 TYR 15 -1.759 -4.693 3.176 109 HE1 TYR 15 HE1 TYR 15 -3.529 -9.266 3.897 110 HE2 TYR 15 HE2 TYR 15 -3.669 -5.506 1.824 111 HH TYR 15 HH TYR 15 -5.533 -8.023 2.609 112 H GLN 16 H GLN 16 1.237 -3.907 4.798 113 HA GLN 16 HA GLN 16 3.990 -3.786 5.365 114 1HB GLN 16 1HB GLN 16 2.593 -1.811 4.743 115 2HB GLN 16 2HB GLN 16 1.854 -1.873 6.338 116 1HG GLN 16 1HG GLN 16 3.665 -0.228 6.333 117 2HG GLN 16 2HG GLN 16 4.104 -1.589 7.364 118 2HE2 GLN 16 2HE2 GLN 16 5.686 -3.165 6.478 119 1HE2 GLN 16 1HE2 GLN 16 6.736 -2.700 5.227 120 H LYS 17 H LYS 17 1.217 -3.643 7.568 121 HA LYS 17 HA LYS 17 0.951 -4.567 9.685 122 1HB LYS 17 1HB LYS 17 3.100 -6.016 9.043 123 2HB LYS 17 2HB LYS 17 3.862 -4.928 10.204 124 1HG LYS 17 1HG LYS 17 1.665 -5.524 11.615 125 2HG LYS 17 2HG LYS 17 1.754 -6.993 10.641 126 1HD LYS 17 1HD LYS 17 4.101 -7.316 11.355 127 2HD LYS 17 2HD LYS 17 3.991 -5.863 12.350 128 1HE LYS 17 1HE LYS 17 2.057 -8.158 12.683 129 2HE LYS 17 2HE LYS 17 3.601 -8.118 13.533 130 1HZ LYS 17 1HZ LYS 17 1.752 -5.818 13.616 131 2HZ LYS 17 2HZ LYS 17 1.571 -7.121 14.686 132 3HZ LYS 17 3HZ LYS 17 3.007 -6.214 14.692 133 H ARG 18 H ARG 18 3.747 -2.468 9.105 134 HA ARG 18 HA ARG 18 3.106 -1.005 11.584 135 1HB ARG 18 1HB ARG 18 5.614 -1.344 9.975 136 2HB ARG 18 2HB ARG 18 5.401 0.113 10.947 137 1HG ARG 18 1HG ARG 18 5.337 -1.078 12.959 138 2HG ARG 18 2HG ARG 18 4.882 -2.586 12.164 139 1HD ARG 18 1HD ARG 18 7.210 -2.362 10.989 140 2HD ARG 18 2HD ARG 18 7.581 -1.273 12.321 141 HE ARG 18 HE ARG 18 6.510 -3.605 13.436 142 1HH1 ARG 18 1HH1 ARG 18 9.312 -2.643 11.571 143 2HH1 ARG 18 2HH1 ARG 18 10.318 -3.886 12.230 144 1HH2 ARG 18 1HH2 ARG 18 7.857 -5.212 14.268 145 2HH2 ARG 18 2HH2 ARG 18 9.504 -5.329 13.744 146 HA PRO 19 HA PRO 19 1.694 2.339 9.065 147 1HB PRO 19 1HB PRO 19 1.926 4.403 10.840 148 2HB PRO 19 2HB PRO 19 0.679 3.152 10.939 149 1HG PRO 19 1HG PRO 19 3.065 3.550 12.626 150 2HG PRO 19 2HG PRO 19 1.558 2.697 12.988 151 1HD PRO 19 1HD PRO 19 4.064 1.531 12.251 152 2HD PRO 19 2HD PRO 19 2.510 0.692 12.472 153 H LEU 20 H LEU 20 2.478 3.717 7.562 154 HA LEU 20 HA LEU 20 5.266 4.658 7.877 155 1HB LEU 20 1HB LEU 20 4.026 4.696 5.194 156 2HB LEU 20 2HB LEU 20 5.664 4.313 5.667 157 HG LEU 20 HG LEU 20 3.254 2.488 5.734 158 1HD1 LEU 20 1HD1 LEU 20 4.878 3.068 3.656 159 2HD1 LEU 20 2HD1 LEU 20 5.831 1.795 4.419 160 3HD1 LEU 20 3HD1 LEU 20 4.178 1.469 3.900 161 1HD2 LEU 20 1HD2 LEU 20 5.874 2.365 7.143 162 2HD2 LEU 20 2HD2 LEU 20 4.323 1.654 7.590 163 3HD2 LEU 20 3HD2 LEU 20 5.329 0.878 6.367 164 HA PRO 21 HA PRO 21 3.661 8.777 7.615 165 1HB PRO 21 1HB PRO 21 5.932 10.114 6.886 166 2HB PRO 21 2HB PRO 21 5.657 9.453 8.508 167 1HG PRO 21 1HG PRO 21 7.461 8.492 6.376 168 2HG PRO 21 2HG PRO 21 7.546 8.235 8.124 169 1HD PRO 21 1HD PRO 21 6.599 6.388 6.156 170 2HD PRO 21 2HD PRO 21 6.546 6.195 7.924 171 H GLN 22 H GLN 22 2.650 10.074 6.150 172 HA GLN 22 HA GLN 22 2.752 9.416 3.355 173 1HB GLN 22 1HB GLN 22 0.688 10.202 4.533 174 2HB GLN 22 2HB GLN 22 1.425 11.797 4.670 175 1HG GLN 22 1HG GLN 22 1.475 10.632 1.949 176 2HG GLN 22 2HG GLN 22 -0.132 11.013 2.564 177 2HE2 GLN 22 2HE2 GLN 22 -0.156 12.783 0.892 178 1HE2 GLN 22 1HE2 GLN 22 0.638 14.244 1.228 179 H VAL 23 H VAL 23 4.732 11.346 5.290 180 HA VAL 23 HA VAL 23 5.243 13.635 3.831 181 HB VAL 23 HB VAL 23 6.192 13.157 6.052 182 1HG1 VAL 23 1HG1 VAL 23 6.824 10.716 5.128 183 2HG1 VAL 23 2HG1 VAL 23 8.376 11.513 4.870 184 3HG1 VAL 23 3HG1 VAL 23 7.672 11.456 6.485 185 1HG2 VAL 23 1HG2 VAL 23 7.255 14.787 4.367 186 2HG2 VAL 23 2HG2 VAL 23 8.266 14.258 5.713 187 3HG2 VAL 23 3HG2 VAL 23 8.478 13.540 4.116 188 H LEU 24 H LEU 24 6.029 10.344 3.008 189 HA LEU 24 HA LEU 24 7.509 11.363 0.663 190 1HB LEU 24 1HB LEU 24 9.108 9.694 0.771 191 2HB LEU 24 2HB LEU 24 8.929 10.213 2.427 192 HG LEU 24 HG LEU 24 9.112 7.890 2.582 193 1HD1 LEU 24 1HD1 LEU 24 7.066 8.812 3.739 194 2HD1 LEU 24 2HD1 LEU 24 6.115 8.242 2.369 195 3HD1 LEU 24 3HD1 LEU 24 6.992 7.089 3.373 196 1HD2 LEU 24 1HD2 LEU 24 8.601 7.775 -0.030 197 2HD2 LEU 24 2HD2 LEU 24 8.435 6.352 0.999 198 3HD2 LEU 24 3HD2 LEU 24 7.008 7.286 0.547 199 H LEU 25 H LEU 25 4.704 9.865 1.566 200 HA LEU 25 HA LEU 25 4.608 7.853 -0.507 201 1HB LEU 25 1HB LEU 25 3.277 8.132 1.807 202 2HB LEU 25 2HB LEU 25 2.126 8.896 0.736 203 HG LEU 25 HG LEU 25 1.879 6.860 -0.543 204 1HD1 LEU 25 1HD1 LEU 25 4.352 6.121 0.930 205 2HD1 LEU 25 2HD1 LEU 25 3.186 4.824 0.670 206 3HD1 LEU 25 3HD1 LEU 25 3.849 5.701 -0.707 207 1HD2 LEU 25 1HD2 LEU 25 1.638 6.824 2.424 208 2HD2 LEU 25 2HD2 LEU 25 0.391 6.634 1.191 209 3HD2 LEU 25 3HD2 LEU 25 1.443 5.279 1.597 210 H SER 26 H SER 26 2.638 7.939 -2.029 211 HA SER 26 HA SER 26 2.285 10.682 -3.076 212 1HB SER 26 1HB SER 26 3.920 8.938 -4.321 213 2HB SER 26 2HB SER 26 2.388 8.474 -5.055 214 HG SER 26 HG SER 26 3.030 10.126 -6.289 215 H SER 27 H SER 27 1.168 7.395 -3.912 216 HA SER 27 HA SER 27 -1.591 8.153 -3.291 217 1HB SER 27 1HB SER 27 -0.573 8.235 -5.955 218 2HB SER 27 2HB SER 27 -1.664 6.858 -5.845 219 HG SER 27 HG SER 27 -3.247 8.240 -5.036 220 H TRP 28 H TRP 28 -2.857 5.998 -4.494 221 HA TRP 28 HA TRP 28 -1.469 3.565 -3.656 222 1HB TRP 28 1HB TRP 28 -3.472 2.873 -2.275 223 2HB TRP 28 2HB TRP 28 -2.483 4.148 -1.566 224 HD1 TRP 28 HD1 TRP 28 -3.439 6.661 -1.693 225 HE1 TRP 28 HE1 TRP 28 -5.856 7.542 -1.843 226 HE3 TRP 28 HE3 TRP 28 -5.836 2.405 -3.194 227 HZ2 TRP 28 HZ2 TRP 28 -8.462 6.566 -2.512 228 HZ3 TRP 28 HZ3 TRP 28 -8.282 2.412 -3.581 229 HH2 TRP 28 HH2 TRP 28 -9.598 4.485 -3.242 230 H TYR 29 H TYR 29 -2.229 1.724 -4.655 231 HA TYR 29 HA TYR 29 -4.384 2.161 -6.623 232 1HB TYR 29 1HB TYR 29 -3.058 1.350 -8.255 233 2HB TYR 29 2HB TYR 29 -1.730 1.506 -7.122 234 HD1 TYR 29 HD1 TYR 29 -4.152 -0.823 -8.648 235 HD2 TYR 29 HD2 TYR 29 -0.747 -0.450 -6.057 236 HE1 TYR 29 HE1 TYR 29 -3.820 -3.274 -8.736 237 HE2 TYR 29 HE2 TYR 29 -0.414 -2.907 -6.143 238 HH TYR 29 HH TYR 29 -1.203 -4.799 -8.116 239 HA PRO 30 HA PRO 30 -6.356 -1.153 -4.360 240 1HB PRO 30 1HB PRO 30 -8.612 -1.347 -5.887 241 2HB PRO 30 2HB PRO 30 -8.328 -0.048 -4.718 242 1HG PRO 30 1HG PRO 30 -8.272 0.042 -7.668 243 2HG PRO 30 2HG PRO 30 -8.543 1.348 -6.507 244 1HD PRO 30 1HD PRO 30 -6.124 0.777 -7.921 245 2HD PRO 30 2HD PRO 30 -6.361 1.990 -6.640 246 H THR 31 H THR 31 -6.820 -3.387 -4.544 247 HA THR 31 HA THR 31 -5.942 -4.622 -7.086 248 HB THR 31 HB THR 31 -4.418 -5.139 -5.252 249 HG1 THR 31 HG1 THR 31 -4.421 -6.936 -6.322 250 1HG2 THR 31 1HG2 THR 31 -6.942 -5.464 -3.794 251 2HG2 THR 31 2HG2 THR 31 -5.804 -6.783 -3.518 252 3HG2 THR 31 3HG2 THR 31 -5.323 -5.121 -3.180 253 H SER 32 H SER 32 -6.794 -7.043 -7.075 254 HA SER 32 HA SER 32 -9.579 -6.913 -7.527 255 1HB SER 32 1HB SER 32 -7.533 -9.070 -7.472 256 2HB SER 32 2HB SER 32 -9.217 -9.561 -7.317 257 HG SER 32 HG SER 32 -8.068 -7.956 -9.361 258 H GLN 33 H GLN 33 -11.314 -7.362 -6.279 259 HA GLN 33 HA GLN 33 -10.824 -7.823 -3.428 260 1HB GLN 33 1HB GLN 33 -13.231 -7.205 -3.204 261 2HB GLN 33 2HB GLN 33 -12.245 -5.936 -3.920 262 1HG GLN 33 1HG GLN 33 -13.414 -7.843 -5.856 263 2HG GLN 33 2HG GLN 33 -14.589 -6.848 -4.997 264 2HE2 GLN 33 2HE2 GLN 33 -14.590 -4.554 -5.406 265 1HE2 GLN 33 1HE2 GLN 33 -13.656 -3.855 -6.640 266 H LEU 34 H LEU 34 -10.729 -9.963 -5.579 267 HA LEU 34 HA LEU 34 -12.814 -11.726 -4.437 268 1HB LEU 34 1HB LEU 34 -12.651 -13.008 -6.550 269 2HB LEU 34 2HB LEU 34 -13.279 -11.387 -6.756 270 HG LEU 34 HG LEU 34 -10.671 -10.916 -7.262 271 1HD1 LEU 34 1HD1 LEU 34 -11.166 -13.830 -7.724 272 2HD1 LEU 34 2HD1 LEU 34 -10.130 -12.951 -8.848 273 3HD1 LEU 34 3HD1 LEU 34 -9.713 -13.021 -7.136 274 1HD2 LEU 34 1HD2 LEU 34 -12.718 -10.467 -8.677 275 2HD2 LEU 34 2HD2 LEU 34 -11.275 -10.908 -9.588 276 3HD2 LEU 34 3HD2 LEU 34 -12.546 -12.100 -9.318 277 H CYS 35 H CYS 35 -10.178 -11.212 -3.353 278 HA CYS 35 HA CYS 35 -8.863 -13.824 -3.811 279 1HB CYS 35 1HB CYS 35 -7.671 -11.291 -2.656 280 2HB CYS 35 2HB CYS 35 -6.809 -12.794 -2.983 281 H SER 36 H SER 36 -7.489 -14.382 -1.731 282 HA SER 36 HA SER 36 -9.413 -14.837 0.368 283 1HB SER 36 1HB SER 36 -7.705 -16.531 -0.245 284 2HB SER 36 2HB SER 36 -6.445 -15.439 0.321 285 HG SER 36 HG SER 36 -7.151 -16.993 1.901 286 H LYS 37 H LYS 37 -6.626 -12.767 -0.149 287 HA LYS 37 HA LYS 37 -7.359 -11.260 2.274 288 1HB LYS 37 1HB LYS 37 -4.501 -11.941 1.539 289 2HB LYS 37 2HB LYS 37 -5.045 -11.040 2.955 290 1HG LYS 37 1HG LYS 37 -6.516 -13.283 3.270 291 2HG LYS 37 2HG LYS 37 -5.125 -13.965 2.424 292 1HD LYS 37 1HD LYS 37 -4.571 -12.064 4.656 293 2HD LYS 37 2HD LYS 37 -5.150 -13.674 5.087 294 1HE LYS 37 1HE LYS 37 -3.341 -14.707 3.813 295 2HE LYS 37 2HE LYS 37 -2.791 -13.124 3.263 296 1HZ LYS 37 1HZ LYS 37 -2.962 -13.895 6.121 297 2HZ LYS 37 2HZ LYS 37 -1.548 -14.054 5.194 298 3HZ LYS 37 3HZ LYS 37 -2.219 -12.518 5.468 299 HA PRO 38 HA PRO 38 -6.630 -8.486 -1.344 300 1HB PRO 38 1HB PRO 38 -9.013 -7.158 -1.211 301 2HB PRO 38 2HB PRO 38 -8.780 -8.670 -2.102 302 1HG PRO 38 1HG PRO 38 -10.191 -8.198 0.454 303 2HG PRO 38 2HG PRO 38 -10.413 -9.489 -0.735 304 1HD PRO 38 1HD PRO 38 -9.007 -9.671 1.736 305 2HD PRO 38 2HD PRO 38 -9.059 -10.896 0.446 306 H GLY 39 H GLY 39 -6.490 -6.114 -1.432 307 1HA GLY 39 1HA GLY 39 -5.322 -4.964 0.839 308 2HA GLY 39 2HA GLY 39 -6.999 -4.426 0.781 309 H VAL 40 H VAL 40 -4.296 -3.085 0.318 310 HA VAL 40 HA VAL 40 -4.483 -2.242 -2.469 311 HB VAL 40 HB VAL 40 -4.790 -0.208 -0.248 312 1HG1 VAL 40 1HG1 VAL 40 -3.699 0.209 -2.653 313 2HG1 VAL 40 2HG1 VAL 40 -5.398 0.318 -3.115 314 3HG1 VAL 40 3HG1 VAL 40 -4.747 1.399 -1.884 315 1HG2 VAL 40 1HG2 VAL 40 -6.808 -1.441 -2.138 316 2HG2 VAL 40 2HG2 VAL 40 -6.853 -1.441 -0.375 317 3HG2 VAL 40 3HG2 VAL 40 -7.097 0.062 -1.264 318 H ILE 41 H ILE 41 -2.561 -1.595 -3.262 319 HA ILE 41 HA ILE 41 -0.291 -1.598 -1.397 320 HB ILE 41 HB ILE 41 -0.376 -1.841 -4.420 321 1HG1 ILE 41 1HG1 ILE 41 0.603 -4.143 -3.743 322 2HG1 ILE 41 2HG1 ILE 41 -0.018 -3.776 -2.135 323 1HG2 ILE 41 1HG2 ILE 41 1.693 -0.712 -3.594 324 2HG2 ILE 41 2HG2 ILE 41 1.985 -2.084 -2.525 325 3HG2 ILE 41 3HG2 ILE 41 2.026 -2.306 -4.273 326 1HD1 ILE 41 1HD1 ILE 41 -1.875 -3.390 -4.434 327 2HD1 ILE 41 2HD1 ILE 41 -1.505 -5.048 -3.959 328 3HD1 ILE 41 3HD1 ILE 41 -2.216 -3.934 -2.792 329 H PHE 42 H PHE 42 0.780 0.201 -0.913 330 HA PHE 42 HA PHE 42 -0.061 2.715 -2.144 331 1HB PHE 42 1HB PHE 42 1.556 2.003 0.293 332 2HB PHE 42 2HB PHE 42 1.568 3.644 -0.356 333 HD1 PHE 42 HD1 PHE 42 -0.577 0.975 1.062 334 HD2 PHE 42 HD2 PHE 42 -0.346 5.084 -0.167 335 HE1 PHE 42 HE1 PHE 42 -2.760 1.424 2.149 336 HE2 PHE 42 HE2 PHE 42 -2.528 5.533 0.921 337 HZ PHE 42 HZ PHE 42 -3.735 3.703 2.081 338 H LEU 43 H LEU 43 1.151 3.921 -3.473 339 HA LEU 43 HA LEU 43 3.822 2.876 -4.192 340 1HB LEU 43 1HB LEU 43 2.243 4.792 -5.872 341 2HB LEU 43 2HB LEU 43 3.545 3.731 -6.356 342 HG LEU 43 HG LEU 43 1.572 2.838 -7.314 343 1HD1 LEU 43 1HD1 LEU 43 2.343 1.365 -4.791 344 2HD1 LEU 43 2HD1 LEU 43 1.200 0.699 -5.956 345 3HD1 LEU 43 3HD1 LEU 43 2.859 1.040 -6.445 346 1HD2 LEU 43 1HD2 LEU 43 0.214 4.155 -5.373 347 2HD2 LEU 43 2HD2 LEU 43 -0.513 2.903 -6.379 348 3HD2 LEU 43 3HD2 LEU 43 0.082 2.504 -4.768 349 H THR 44 H THR 44 5.234 3.985 -2.909 350 HA THR 44 HA THR 44 4.898 6.679 -2.091 351 HB THR 44 HB THR 44 7.260 6.570 -1.436 352 HG1 THR 44 HG1 THR 44 7.221 4.107 -2.838 353 1HG2 THR 44 1HG2 THR 44 5.343 4.380 -0.841 354 2HG2 THR 44 2HG2 THR 44 7.015 4.113 -0.342 355 3HG2 THR 44 3HG2 THR 44 6.130 5.518 0.254 356 H LYS 45 H LYS 45 6.521 8.421 -2.681 357 HA LYS 45 HA LYS 45 6.253 9.100 -5.401 358 1HB LYS 45 1HB LYS 45 8.073 10.157 -3.234 359 2HB LYS 45 2HB LYS 45 8.031 10.841 -4.859 360 1HG LYS 45 1HG LYS 45 5.905 11.704 -4.594 361 2HG LYS 45 2HG LYS 45 5.426 10.450 -3.449 362 1HD LYS 45 1HD LYS 45 5.637 12.360 -2.090 363 2HD LYS 45 2HD LYS 45 7.181 11.537 -1.868 364 1HE LYS 45 1HE LYS 45 8.342 13.066 -3.192 365 2HE LYS 45 2HE LYS 45 6.893 13.555 -4.072 366 1HZ LYS 45 1HZ LYS 45 6.079 14.600 -2.032 367 2HZ LYS 45 2HZ LYS 45 7.524 14.184 -1.239 368 3HZ LYS 45 3HZ LYS 45 7.555 15.274 -2.539 369 H ARG 46 H ARG 46 9.176 8.145 -3.600 370 HA ARG 46 HA ARG 46 10.268 7.030 -6.111 371 1HB ARG 46 1HB ARG 46 11.284 9.258 -5.508 372 2HB ARG 46 2HB ARG 46 11.901 8.491 -4.042 373 1HG ARG 46 1HG ARG 46 13.327 7.058 -5.237 374 2HG ARG 46 2HG ARG 46 12.420 7.254 -6.737 375 1HD ARG 46 1HD ARG 46 14.146 9.346 -5.388 376 2HD ARG 46 2HD ARG 46 14.504 8.506 -6.893 377 HE ARG 46 HE ARG 46 12.100 9.696 -7.393 378 1HH1 ARG 46 1HH1 ARG 46 15.175 10.862 -6.190 379 2HH1 ARG 46 2HH1 ARG 46 14.962 12.445 -6.852 380 1HH2 ARG 46 1HH2 ARG 46 11.863 11.773 -8.239 381 2HH2 ARG 46 2HH2 ARG 46 13.104 12.958 -8.003 382 H GLY 47 H GLY 47 9.256 6.261 -3.069 383 1HA GLY 47 1HA GLY 47 9.819 4.660 -1.505 384 2HA GLY 47 2HA GLY 47 11.436 4.611 -2.196 385 H ARG 48 H ARG 48 8.532 2.974 -1.840 386 HA ARG 48 HA ARG 48 8.771 1.354 -4.254 387 1HB ARG 48 1HB ARG 48 9.838 0.512 -1.634 388 2HB ARG 48 2HB ARG 48 8.788 -0.671 -2.409 389 1HG ARG 48 1HG ARG 48 10.191 -0.195 -4.543 390 2HG ARG 48 2HG ARG 48 11.365 0.511 -3.431 391 1HD ARG 48 1HD ARG 48 11.680 -1.539 -2.288 392 2HD ARG 48 2HD ARG 48 10.223 -2.244 -2.978 393 HE ARG 48 HE ARG 48 11.457 -2.834 -4.851 394 1HH1 ARG 48 1HH1 ARG 48 13.212 -0.433 -3.002 395 2HH1 ARG 48 2HH1 ARG 48 14.640 -0.570 -3.967 396 1HH2 ARG 48 1HH2 ARG 48 13.341 -2.981 -6.083 397 2HH2 ARG 48 2HH2 ARG 48 14.715 -2.001 -5.696 398 H GLN 49 H GLN 49 7.284 -0.777 -3.673 399 HA GLN 49 HA GLN 49 4.650 0.372 -3.169 400 1HB GLN 49 1HB GLN 49 5.667 -2.198 -4.336 401 2HB GLN 49 2HB GLN 49 4.006 -2.098 -3.757 402 1HG GLN 49 1HG GLN 49 3.593 -1.318 -5.863 403 2HG GLN 49 2HG GLN 49 4.153 0.210 -5.184 404 2HE2 GLN 49 2HE2 GLN 49 4.981 -2.411 -7.373 405 1HE2 GLN 49 1HE2 GLN 49 6.422 -1.724 -7.948 406 H VAL 50 H VAL 50 3.136 -0.653 -1.699 407 HA VAL 50 HA VAL 50 4.218 -2.464 0.316 408 HB VAL 50 HB VAL 50 3.196 0.278 1.097 409 1HG1 VAL 50 1HG1 VAL 50 2.706 -1.679 2.650 410 2HG1 VAL 50 2HG1 VAL 50 4.450 -1.865 2.831 411 3HG1 VAL 50 3HG1 VAL 50 3.660 -0.378 3.358 412 1HG2 VAL 50 1HG2 VAL 50 5.967 -0.939 1.062 413 2HG2 VAL 50 2HG2 VAL 50 5.423 0.516 0.227 414 3HG2 VAL 50 3HG2 VAL 50 5.561 0.508 1.985 415 H CYS 51 H CYS 51 2.694 -3.945 0.560 416 HA CYS 51 HA CYS 51 -0.047 -3.541 -0.171 417 1HB CYS 51 1HB CYS 51 1.389 -5.750 1.313 418 2HB CYS 51 2HB CYS 51 -0.346 -5.785 1.006 419 H ALA 52 H ALA 52 -1.584 -2.580 1.020 420 HA ALA 52 HA ALA 52 -1.413 -2.753 3.954 421 1HB ALA 52 1HB ALA 52 -0.432 -0.620 3.563 422 2HB ALA 52 2HB ALA 52 -1.643 -0.210 2.348 423 3HB ALA 52 3HB ALA 52 -2.098 -0.312 4.049 424 H ASP 53 H ASP 53 -3.299 -3.193 4.876 425 HA ASP 53 HA ASP 53 -5.679 -3.382 3.206 426 1HB ASP 53 1HB ASP 53 -4.892 -4.348 5.922 427 2HB ASP 53 2HB ASP 53 -6.609 -4.161 5.565 428 H LYS 54 H LYS 54 -7.405 -2.062 3.281 429 HA LYS 54 HA LYS 54 -7.208 0.528 4.357 430 1HB LYS 54 1HB LYS 54 -9.660 0.679 3.870 431 2HB LYS 54 2HB LYS 54 -8.702 0.096 2.508 432 1HG LYS 54 1HG LYS 54 -9.513 -2.063 2.678 433 2HG LYS 54 2HG LYS 54 -9.815 -1.924 4.411 434 1HD LYS 54 1HD LYS 54 -11.584 -0.116 3.637 435 2HD LYS 54 2HD LYS 54 -11.507 -1.003 2.115 436 1HE LYS 54 1HE LYS 54 -12.428 -2.916 3.020 437 2HE LYS 54 2HE LYS 54 -11.779 -2.592 4.628 438 1HZ LYS 54 1HZ LYS 54 -13.998 -1.094 3.342 439 2HZ LYS 54 2HZ LYS 54 -14.185 -2.292 4.533 440 3HZ LYS 54 3HZ LYS 54 -13.394 -0.839 4.911 441 H SER 55 H SER 55 -8.295 -2.457 5.777 442 HA SER 55 HA SER 55 -9.987 -1.544 7.798 443 1HB SER 55 1HB SER 55 -8.299 -3.927 7.378 444 2HB SER 55 2HB SER 55 -8.719 -3.585 9.052 445 HG SER 55 HG SER 55 -10.624 -4.319 8.601 446 H LYS 56 H LYS 56 -6.511 -1.353 7.514 447 HA LYS 56 HA LYS 56 -5.833 -0.910 10.211 448 1HB LYS 56 1HB LYS 56 -4.529 0.206 7.715 449 2HB LYS 56 2HB LYS 56 -3.810 0.195 9.325 450 1HG LYS 56 1HG LYS 56 -4.391 -2.396 9.187 451 2HG LYS 56 2HG LYS 56 -4.302 -2.085 7.454 452 1HD LYS 56 1HD LYS 56 -2.060 -0.892 8.005 453 2HD LYS 56 2HD LYS 56 -2.144 -1.770 9.533 454 1HE LYS 56 1HE LYS 56 -2.579 -3.283 6.984 455 2HE LYS 56 2HE LYS 56 -0.932 -2.846 7.440 456 1HZ LYS 56 1HZ LYS 56 -1.576 -3.803 9.709 457 2HZ LYS 56 2HZ LYS 56 -2.858 -4.553 8.883 458 3HZ LYS 56 3HZ LYS 56 -1.255 -4.892 8.445 459 H ASP 57 H ASP 57 -4.873 1.295 10.913 460 HA ASP 57 HA ASP 57 -7.018 3.279 10.594 461 1HB ASP 57 1HB ASP 57 -5.934 4.379 12.568 462 2HB ASP 57 2HB ASP 57 -6.504 2.741 12.891 463 H TRP 58 H TRP 58 -3.485 2.993 10.416 464 HA TRP 58 HA TRP 58 -3.094 5.702 9.583 465 1HB TRP 58 1HB TRP 58 -0.793 5.001 9.030 466 2HB TRP 58 2HB TRP 58 -1.266 4.496 10.648 467 HD1 TRP 58 HD1 TRP 58 -1.746 1.893 11.043 468 HE1 TRP 58 HE1 TRP 58 -0.933 -0.193 9.769 469 HE3 TRP 58 HE3 TRP 58 -0.200 4.061 6.690 470 HZ2 TRP 58 HZ2 TRP 58 0.225 -0.859 7.228 471 HZ3 TRP 58 HZ3 TRP 58 0.757 2.686 4.867 472 HH2 TRP 58 HH2 TRP 58 0.968 0.232 5.130 473 H VAL 59 H VAL 59 -3.798 2.709 7.950 474 HA VAL 59 HA VAL 59 -3.048 3.596 5.326 475 HB VAL 59 HB VAL 59 -4.941 1.379 6.150 476 1HG1 VAL 59 1HG1 VAL 59 -3.840 2.338 3.555 477 2HG1 VAL 59 2HG1 VAL 59 -3.854 0.592 3.806 478 3HG1 VAL 59 3HG1 VAL 59 -5.358 1.508 3.893 479 1HG2 VAL 59 1HG2 VAL 59 -1.972 1.359 5.517 480 2HG2 VAL 59 2HG2 VAL 59 -2.685 1.123 7.113 481 3HG2 VAL 59 3HG2 VAL 59 -2.956 -0.068 5.841 482 H LYS 60 H LYS 60 -5.973 3.635 7.270 483 HA LYS 60 HA LYS 60 -7.800 4.372 5.242 484 1HB LYS 60 1HB LYS 60 -8.295 3.599 7.650 485 2HB LYS 60 2HB LYS 60 -8.026 5.281 8.106 486 1HG LYS 60 1HG LYS 60 -9.814 6.045 6.715 487 2HG LYS 60 2HG LYS 60 -9.943 4.483 5.908 488 1HD LYS 60 1HD LYS 60 -10.465 3.531 8.254 489 2HD LYS 60 2HD LYS 60 -10.746 5.208 8.723 490 1HE LYS 60 1HE LYS 60 -12.630 5.408 7.406 491 2HE LYS 60 2HE LYS 60 -12.057 4.232 6.224 492 1HZ LYS 60 1HZ LYS 60 -12.465 2.472 7.829 493 2HZ LYS 60 2HZ LYS 60 -13.019 3.605 8.962 494 3HZ LYS 60 3HZ LYS 60 -13.887 3.350 7.525 495 H LYS 61 H LYS 61 -5.816 6.298 7.465 496 HA LYS 61 HA LYS 61 -6.796 8.837 6.723 497 1HB LYS 61 1HB LYS 61 -4.163 7.929 7.878 498 2HB LYS 61 2HB LYS 61 -4.494 9.626 7.530 499 1HG LYS 61 1HG LYS 61 -6.509 9.519 8.965 500 2HG LYS 61 2HG LYS 61 -6.145 7.832 9.336 501 1HD LYS 61 1HD LYS 61 -3.889 8.620 10.191 502 2HD LYS 61 2HD LYS 61 -4.495 10.269 10.043 503 1HE LYS 61 1HE LYS 61 -5.136 9.881 12.214 504 2HE LYS 61 2HE LYS 61 -6.547 9.196 11.408 505 1HZ LYS 61 1HZ LYS 61 -5.386 7.026 11.448 506 2HZ LYS 61 2HZ LYS 61 -4.162 7.730 12.393 507 3HZ LYS 61 3HZ LYS 61 -5.749 7.626 12.992 508 H LEU 62 H LEU 62 -4.119 6.887 5.452 509 HA LEU 62 HA LEU 62 -3.106 8.783 3.628 510 1HB LEU 62 1HB LEU 62 -3.144 5.777 3.458 511 2HB LEU 62 2HB LEU 62 -2.217 6.819 2.400 512 HG LEU 62 HG LEU 62 -1.786 7.085 5.340 513 1HD1 LEU 62 1HD1 LEU 62 -1.224 4.671 3.692 514 2HD1 LEU 62 2HD1 LEU 62 0.070 5.226 4.756 515 3HD1 LEU 62 3HD1 LEU 62 -1.507 4.812 5.426 516 1HD2 LEU 62 1HD2 LEU 62 -0.364 7.578 2.773 517 2HD2 LEU 62 2HD2 LEU 62 -0.361 8.525 4.260 518 3HD2 LEU 62 3HD2 LEU 62 0.638 7.077 4.136 519 H MET 63 H MET 63 -5.573 6.280 3.299 520 HA MET 63 HA MET 63 -6.133 6.459 0.581 521 1HB MET 63 1HB MET 63 -7.931 5.896 2.937 522 2HB MET 63 2HB MET 63 -8.509 5.825 1.273 523 1HG MET 63 1HG MET 63 -6.296 4.334 0.989 524 2HG MET 63 2HG MET 63 -6.603 4.027 2.698 525 1HE MET 63 1HE MET 63 -7.018 3.446 -0.645 526 2HE MET 63 2HE MET 63 -7.144 1.743 -0.186 527 3HE MET 63 3HE MET 63 -8.490 2.544 -0.996 528 H GLN 64 H GLN 64 -7.274 8.479 3.237 529 HA GLN 64 HA GLN 64 -8.946 10.087 1.482 530 1HB GLN 64 1HB GLN 64 -8.417 9.957 4.407 531 2HB GLN 64 2HB GLN 64 -8.935 11.509 3.749 532 1HG GLN 64 1HG GLN 64 -10.433 9.112 2.824 533 2HG GLN 64 2HG GLN 64 -10.682 9.596 4.501 534 2HE2 GLN 64 2HE2 GLN 64 -12.855 10.398 4.091 535 1HE2 GLN 64 1HE2 GLN 64 -13.124 11.815 3.195 536 H GLN 65 H GLN 65 -5.770 10.221 2.949 537 HA GLN 65 HA GLN 65 -5.304 13.000 2.489 538 1HB GLN 65 1HB GLN 65 -3.617 10.649 3.220 539 2HB GLN 65 2HB GLN 65 -2.821 12.110 2.638 540 1HG GLN 65 1HG GLN 65 -4.944 12.581 4.643 541 2HG GLN 65 2HG GLN 65 -3.549 11.689 5.245 542 2HE2 GLN 65 2HE2 GLN 65 -4.203 14.589 3.190 543 1HE2 GLN 65 1HE2 GLN 65 -2.928 15.506 3.835 544 H LEU 66 H LEU 66 -4.921 10.088 0.570 545 HA LEU 66 HA LEU 66 -3.818 11.743 -1.626 546 1HB LEU 66 1HB LEU 66 -3.589 8.760 -1.519 547 2HB LEU 66 2HB LEU 66 -2.628 9.904 -2.430 548 HG LEU 66 HG LEU 66 -2.524 9.633 0.582 549 1HD1 LEU 66 1HD1 LEU 66 -1.710 7.692 -1.097 550 2HD1 LEU 66 2HD1 LEU 66 -0.290 8.736 -1.171 551 3HD1 LEU 66 3HD1 LEU 66 -0.831 8.092 0.379 552 1HD2 LEU 66 1HD2 LEU 66 -1.089 11.258 -1.495 553 2HD2 LEU 66 2HD2 LEU 66 -1.670 11.747 0.097 554 3HD2 LEU 66 3HD2 LEU 66 -0.216 10.760 -0.045 555 HA PRO 67 HA PRO 67 -7.467 10.672 -3.839 556 1HB PRO 67 1HB PRO 67 -6.573 10.683 -6.433 557 2HB PRO 67 2HB PRO 67 -6.852 12.148 -5.478 558 1HG PRO 67 1HG PRO 67 -4.289 10.839 -6.214 559 2HG PRO 67 2HG PRO 67 -4.638 12.548 -5.915 560 1HD PRO 67 1HD PRO 67 -3.389 10.798 -4.103 561 2HD PRO 67 2HD PRO 67 -4.112 12.371 -3.691 562 H VAL 68 H VAL 68 -5.394 9.087 -6.229 563 HA VAL 68 HA VAL 68 -5.358 6.504 -5.196 564 HB VAL 68 HB VAL 68 -7.928 6.941 -5.515 565 1HG1 VAL 68 1HG1 VAL 68 -7.224 7.432 -8.122 566 2HG1 VAL 68 2HG1 VAL 68 -7.708 5.737 -8.188 567 3HG1 VAL 68 3HG1 VAL 68 -8.834 6.952 -7.584 568 1HG2 VAL 68 1HG2 VAL 68 -6.517 4.780 -5.079 569 2HG2 VAL 68 2HG2 VAL 68 -8.212 4.643 -5.546 570 3HG2 VAL 68 3HG2 VAL 68 -6.944 4.398 -6.747 571 H THR 69 H THR 69 -5.010 4.828 -7.009 572 HA THR 69 HA THR 69 -2.896 5.714 -8.636 573 HB THR 69 HB THR 69 -3.111 3.370 -7.993 574 HG1 THR 69 HG1 THR 69 -2.757 2.494 -10.086 575 1HG2 THR 69 1HG2 THR 69 -5.627 3.318 -8.145 576 2HG2 THR 69 2HG2 THR 69 -5.462 3.240 -9.899 577 3HG2 THR 69 3HG2 THR 69 -4.833 1.934 -8.897 578 H ALA 70 H ALA 70 -6.298 5.076 -9.412 579 HA ALA 70 HA ALA 70 -7.609 5.718 -11.189 580 1HB ALA 70 1HB ALA 70 -7.355 7.876 -11.958 581 2HB ALA 70 2HB ALA 70 -6.369 7.962 -10.497 582 3HB ALA 70 3HB ALA 70 -5.599 7.744 -12.069 583 H ARG 71 H ARG 71 -7.749 5.687 -13.530 584 HA ARG 71 HA ARG 71 -5.551 4.106 -14.718 585 1HB ARG 71 1HB ARG 71 -8.482 4.269 -15.456 586 2HB ARG 71 2HB ARG 71 -7.274 3.352 -16.356 587 1HG ARG 71 1HG ARG 71 -7.970 1.669 -14.960 588 2HG ARG 71 2HG ARG 71 -6.779 2.401 -13.885 589 1HD ARG 71 1HD ARG 71 -8.572 2.426 -12.453 590 2HD ARG 71 2HD ARG 71 -8.874 3.954 -13.273 591 HE ARG 71 HE ARG 71 -10.177 2.035 -14.785 592 1HH1 ARG 71 1HH1 ARG 71 -10.286 3.147 -11.466 593 2HH1 ARG 71 2HH1 ARG 71 -11.960 2.758 -11.273 594 1HH2 ARG 71 1HH2 ARG 71 -12.358 1.544 -14.488 595 2HH2 ARG 71 2HH2 ARG 71 -13.125 1.859 -12.968 No H/Q in entry = 595 Start of MODEL 33 1 H1 LEU 1 H1 LEU 1 -20.645 -1.616 -11.697 2 H2 LEU 1 H2 LEU 1 -19.571 -1.402 -10.399 3 H3 LEU 1 H3 LEU 1 -20.084 -0.063 -11.310 4 HA LEU 1 HA LEU 1 -18.799 -0.621 -13.138 5 1HB LEU 1 1HB LEU 1 -17.426 -1.241 -10.529 6 2HB LEU 1 2HB LEU 1 -16.543 -1.352 -12.053 7 HG LEU 1 HG LEU 1 -17.681 1.041 -12.437 8 1HD1 LEU 1 1HD1 LEU 1 -18.691 0.634 -10.015 9 2HD1 LEU 1 2HD1 LEU 1 -17.113 1.231 -9.502 10 3HD1 LEU 1 3HD1 LEU 1 -18.152 2.239 -10.507 11 1HD2 LEU 1 1HD2 LEU 1 -15.180 0.307 -10.914 12 2HD2 LEU 1 2HD2 LEU 1 -15.328 0.838 -12.589 13 3HD2 LEU 1 3HD2 LEU 1 -15.566 1.990 -11.274 14 H GLY 2 H GLY 2 -17.305 -2.240 -14.161 15 1HA GLY 2 1HA GLY 2 -17.308 -4.282 -15.286 16 2HA GLY 2 2HA GLY 2 -18.625 -4.822 -14.247 17 H ALA 3 H ALA 3 -15.604 -5.563 -15.068 18 HA ALA 3 HA ALA 3 -14.502 -6.066 -12.416 19 1HB ALA 3 1HB ALA 3 -15.399 -8.295 -14.252 20 2HB ALA 3 2HB ALA 3 -15.921 -7.997 -12.594 21 3HB ALA 3 3HB ALA 3 -14.270 -8.528 -12.917 22 H SER 4 H SER 4 -12.540 -5.229 -12.755 23 HA SER 4 HA SER 4 -11.175 -5.576 -15.305 24 1HB SER 4 1HB SER 4 -9.797 -4.387 -12.945 25 2HB SER 4 2HB SER 4 -9.760 -3.894 -14.637 26 HG SER 4 HG SER 4 -11.052 -2.409 -13.778 27 H TRP 5 H TRP 5 -10.001 -7.315 -15.721 28 HA TRP 5 HA TRP 5 -8.334 -8.472 -13.596 29 1HB TRP 5 1HB TRP 5 -10.611 -9.713 -13.928 30 2HB TRP 5 2HB TRP 5 -9.856 -10.324 -15.400 31 HD1 TRP 5 HD1 TRP 5 -9.313 -10.242 -11.594 32 HE1 TRP 5 HE1 TRP 5 -7.836 -12.252 -10.938 33 HE3 TRP 5 HE3 TRP 5 -8.210 -12.075 -16.230 34 HZ2 TRP 5 HZ2 TRP 5 -6.381 -14.358 -12.214 35 HZ3 TRP 5 HZ3 TRP 5 -6.779 -14.081 -16.481 36 HH2 TRP 5 HH2 TRP 5 -5.863 -15.225 -14.480 37 H HIS 6 H HIS 6 -7.774 -6.817 -15.917 38 HA HIS 6 HA HIS 6 -6.372 -8.699 -17.701 39 1HB HIS 6 1HB HIS 6 -7.023 -5.762 -18.013 40 2HB HIS 6 2HB HIS 6 -6.057 -6.689 -19.160 41 HD1 HIS 6 HD1 HIS 6 -9.455 -5.711 -18.538 42 HD2 HIS 6 HD2 HIS 6 -7.639 -9.138 -20.066 43 HE1 HIS 6 HE1 HIS 6 -11.255 -6.977 -19.792 44 H ARG 7 H ARG 7 -5.684 -5.407 -16.565 45 HA ARG 7 HA ARG 7 -2.850 -5.912 -16.534 46 1HB ARG 7 1HB ARG 7 -4.426 -3.629 -16.696 47 2HB ARG 7 2HB ARG 7 -3.714 -3.517 -15.088 48 1HG ARG 7 1HG ARG 7 -1.539 -3.428 -15.907 49 2HG ARG 7 2HG ARG 7 -1.958 -4.259 -17.405 50 1HD ARG 7 1HD ARG 7 -1.820 -2.134 -18.251 51 2HD ARG 7 2HD ARG 7 -3.491 -2.072 -17.701 52 HE ARG 7 HE ARG 7 -2.077 -1.247 -15.517 53 1HH1 ARG 7 1HH1 ARG 7 -2.142 -0.261 -18.876 54 2HH1 ARG 7 2HH1 ARG 7 -1.721 1.379 -18.521 55 1HH2 ARG 7 1HH2 ARG 7 -1.530 0.901 -15.100 56 2HH2 ARG 7 2HH2 ARG 7 -1.377 2.032 -16.401 57 HA PRO 8 HA PRO 8 -3.347 -5.746 -11.803 58 1HB PRO 8 1HB PRO 8 -5.845 -5.585 -10.711 59 2HB PRO 8 2HB PRO 8 -4.879 -4.173 -11.165 60 1HG PRO 8 1HG PRO 8 -7.257 -5.327 -12.495 61 2HG PRO 8 2HG PRO 8 -6.647 -3.666 -12.518 62 1HD PRO 8 1HD PRO 8 -6.336 -5.611 -14.567 63 2HD PRO 8 2HD PRO 8 -5.526 -4.031 -14.470 64 H ASP 9 H ASP 9 -2.713 -7.903 -11.831 65 HA ASP 9 HA ASP 9 -4.806 -9.847 -11.120 66 1HB ASP 9 1HB ASP 9 -3.684 -11.550 -12.569 67 2HB ASP 9 2HB ASP 9 -4.443 -10.244 -13.480 68 H LYS 10 H LYS 10 -2.836 -8.405 -9.555 69 HA LYS 10 HA LYS 10 -1.421 -10.731 -8.433 70 1HB LYS 10 1HB LYS 10 0.581 -9.294 -8.026 71 2HB LYS 10 2HB LYS 10 0.278 -9.596 -9.737 72 1HG LYS 10 1HG LYS 10 -1.128 -7.367 -9.571 73 2HG LYS 10 2HG LYS 10 -0.108 -7.071 -8.162 74 1HD LYS 10 1HD LYS 10 0.951 -7.765 -10.917 75 2HD LYS 10 2HD LYS 10 0.839 -6.123 -10.280 76 1HE LYS 10 1HE LYS 10 2.329 -6.707 -8.428 77 2HE LYS 10 2HE LYS 10 2.396 -8.380 -8.984 78 1HZ LYS 10 1HZ LYS 10 3.252 -6.052 -10.614 79 2HZ LYS 10 2HZ LYS 10 4.312 -7.002 -9.690 80 3HZ LYS 10 3HZ LYS 10 3.460 -7.697 -10.987 81 H CYS 11 H CYS 11 -2.632 -10.886 -6.609 82 HA CYS 11 HA CYS 11 -3.340 -8.517 -5.080 83 1HB CYS 11 1HB CYS 11 -3.725 -11.431 -4.354 84 2HB CYS 11 2HB CYS 11 -4.516 -10.042 -3.609 85 H CYS 12 H CYS 12 -3.095 -9.189 -2.505 86 HA CYS 12 HA CYS 12 -0.216 -9.737 -2.106 87 1HB CYS 12 1HB CYS 12 -1.265 -7.248 -1.842 88 2HB CYS 12 2HB CYS 12 -1.531 -7.868 -0.215 89 H LEU 13 H LEU 13 0.274 -11.111 -0.496 90 HA LEU 13 HA LEU 13 -1.934 -12.404 0.906 91 1HB LEU 13 1HB LEU 13 1.015 -13.023 1.005 92 2HB LEU 13 2HB LEU 13 -0.279 -14.024 1.625 93 HG LEU 13 HG LEU 13 0.169 -13.361 -1.296 94 1HD1 LEU 13 1HD1 LEU 13 0.937 -15.670 0.469 95 2HD1 LEU 13 2HD1 LEU 13 0.584 -15.954 -1.236 96 3HD1 LEU 13 3HD1 LEU 13 1.887 -14.858 -0.776 97 1HD2 LEU 13 1HD2 LEU 13 -2.213 -13.787 -0.546 98 2HD2 LEU 13 2HD2 LEU 13 -1.603 -14.944 -1.728 99 3HD2 LEU 13 3HD2 LEU 13 -1.692 -15.389 -0.024 100 H GLY 14 H GLY 14 0.914 -10.457 1.599 101 1HA GLY 14 1HA GLY 14 1.755 -10.042 3.843 102 2HA GLY 14 2HA GLY 14 0.131 -10.358 4.451 103 H TYR 15 H TYR 15 1.478 -8.058 5.168 104 HA TYR 15 HA TYR 15 0.595 -5.876 3.457 105 1HB TYR 15 1HB TYR 15 -0.640 -6.396 6.166 106 2HB TYR 15 2HB TYR 15 -0.696 -4.826 5.364 107 HD1 TYR 15 HD1 TYR 15 -1.946 -4.517 3.277 108 HD2 TYR 15 HD2 TYR 15 -1.898 -8.298 5.306 109 HE1 TYR 15 HE1 TYR 15 -3.866 -5.272 1.906 110 HE2 TYR 15 HE2 TYR 15 -3.820 -9.058 3.935 111 HH TYR 15 HH TYR 15 -5.832 -7.552 2.599 112 H GLN 16 H GLN 16 0.978 -3.722 4.736 113 HA GLN 16 HA GLN 16 3.722 -3.505 5.253 114 1HB GLN 16 1HB GLN 16 2.280 -1.584 4.626 115 2HB GLN 16 2HB GLN 16 1.521 -1.658 6.211 116 1HG GLN 16 1HG GLN 16 3.279 0.066 6.163 117 2HG GLN 16 2HG GLN 16 3.705 -1.227 7.281 118 2HE2 GLN 16 2HE2 GLN 16 5.993 -0.370 6.863 119 1HE2 GLN 16 1HE2 GLN 16 6.823 -0.962 5.506 120 H LYS 17 H LYS 17 0.991 -3.695 7.505 121 HA LYS 17 HA LYS 17 0.883 -4.211 9.745 122 1HB LYS 17 1HB LYS 17 2.328 -6.174 8.749 123 2HB LYS 17 2HB LYS 17 3.630 -5.396 9.649 124 1HG LYS 17 1HG LYS 17 1.870 -5.375 11.608 125 2HG LYS 17 2HG LYS 17 1.119 -6.674 10.682 126 1HD LYS 17 1HD LYS 17 3.537 -7.667 10.593 127 2HD LYS 17 2HD LYS 17 3.837 -6.602 11.967 128 1HE LYS 17 1HE LYS 17 3.123 -8.566 13.021 129 2HE LYS 17 2HE LYS 17 1.627 -7.638 12.918 130 1HZ LYS 17 1HZ LYS 17 1.371 -8.828 10.668 131 2HZ LYS 17 2HZ LYS 17 2.501 -9.933 11.292 132 3HZ LYS 17 3HZ LYS 17 1.020 -9.686 12.087 133 H ARG 18 H ARG 18 2.396 -1.752 8.696 134 HA ARG 18 HA ARG 18 3.263 -0.824 11.285 135 1HB ARG 18 1HB ARG 18 5.236 -1.328 9.069 136 2HB ARG 18 2HB ARG 18 5.510 -0.046 10.249 137 1HG ARG 18 1HG ARG 18 4.972 -1.929 12.002 138 2HG ARG 18 2HG ARG 18 5.391 -3.016 10.677 139 1HD ARG 18 1HD ARG 18 7.599 -2.376 10.664 140 2HD ARG 18 2HD ARG 18 7.238 -0.738 11.199 141 HE ARG 18 HE ARG 18 7.485 -1.458 13.392 142 1HH1 ARG 18 1HH1 ARG 18 7.103 -4.229 11.288 143 2HH1 ARG 18 2HH1 ARG 18 7.450 -5.370 12.540 144 1HH2 ARG 18 1HH2 ARG 18 7.932 -2.978 14.995 145 2HH2 ARG 18 2HH2 ARG 18 7.916 -4.670 14.622 146 HA PRO 19 HA PRO 19 1.800 2.812 9.183 147 1HB PRO 19 1HB PRO 19 2.279 4.643 11.149 148 2HB PRO 19 2HB PRO 19 0.950 3.475 11.190 149 1HG PRO 19 1HG PRO 19 3.437 3.528 12.769 150 2HG PRO 19 2HG PRO 19 1.901 2.723 13.115 151 1HD PRO 19 1HD PRO 19 4.298 1.525 12.090 152 2HD PRO 19 2HD PRO 19 2.719 0.745 12.344 153 H LEU 20 H LEU 20 2.724 3.959 7.618 154 HA LEU 20 HA LEU 20 5.482 4.962 8.014 155 1HB LEU 20 1HB LEU 20 4.448 4.905 5.261 156 2HB LEU 20 2HB LEU 20 6.013 4.437 5.883 157 HG LEU 20 HG LEU 20 3.498 2.751 5.893 158 1HD1 LEU 20 1HD1 LEU 20 6.052 2.750 4.280 159 2HD1 LEU 20 2HD1 LEU 20 5.038 1.314 4.417 160 3HD1 LEU 20 3HD1 LEU 20 4.390 2.785 3.692 161 1HD2 LEU 20 1HD2 LEU 20 5.380 2.609 7.800 162 2HD2 LEU 20 2HD2 LEU 20 4.611 1.166 7.144 163 3HD2 LEU 20 3HD2 LEU 20 6.196 1.664 6.557 164 HA PRO 21 HA PRO 21 3.843 9.033 7.441 165 1HB PRO 21 1HB PRO 21 6.040 10.354 6.485 166 2HB PRO 21 2HB PRO 21 5.868 9.818 8.165 167 1HG PRO 21 1HG PRO 21 7.564 8.709 6.011 168 2HG PRO 21 2HG PRO 21 7.771 8.624 7.765 169 1HD PRO 21 1HD PRO 21 6.769 6.567 6.065 170 2HD PRO 21 2HD PRO 21 6.789 6.565 7.845 171 H GLN 22 H GLN 22 2.696 10.139 5.924 172 HA GLN 22 HA GLN 22 2.648 9.227 3.213 173 1HB GLN 22 1HB GLN 22 0.703 10.196 4.574 174 2HB GLN 22 2HB GLN 22 1.389 11.777 4.207 175 1HG GLN 22 1HG GLN 22 1.106 9.937 1.897 176 2HG GLN 22 2HG GLN 22 -0.403 10.515 2.600 177 2HE2 GLN 22 2HE2 GLN 22 -0.119 13.083 3.202 178 1HE2 GLN 22 1HE2 GLN 22 0.477 14.010 1.911 179 H VAL 23 H VAL 23 4.710 11.389 4.799 180 HA VAL 23 HA VAL 23 5.060 13.497 3.052 181 HB VAL 23 HB VAL 23 6.157 13.300 5.257 182 1HG1 VAL 23 1HG1 VAL 23 6.808 10.829 4.750 183 2HG1 VAL 23 2HG1 VAL 23 8.228 11.531 3.977 184 3HG1 VAL 23 3HG1 VAL 23 7.922 11.818 5.690 185 1HG2 VAL 23 1HG2 VAL 23 7.054 14.667 3.171 186 2HG2 VAL 23 2HG2 VAL 23 7.987 14.583 4.666 187 3HG2 VAL 23 3HG2 VAL 23 8.409 13.544 3.305 188 H LEU 24 H LEU 24 6.500 10.275 2.897 189 HA LEU 24 HA LEU 24 7.809 10.933 0.368 190 1HB LEU 24 1HB LEU 24 9.227 9.237 0.798 191 2HB LEU 24 2HB LEU 24 8.633 9.397 2.431 192 HG LEU 24 HG LEU 24 7.616 7.385 0.402 193 1HD1 LEU 24 1HD1 LEU 24 9.741 7.308 2.506 194 2HD1 LEU 24 2HD1 LEU 24 8.780 5.856 2.217 195 3HD1 LEU 24 3HD1 LEU 24 9.719 6.569 0.905 196 1HD2 LEU 24 1HD2 LEU 24 6.581 8.316 2.938 197 2HD2 LEU 24 2HD2 LEU 24 5.896 7.122 1.840 198 3HD2 LEU 24 3HD2 LEU 24 7.045 6.624 3.078 199 H LEU 25 H LEU 25 5.123 9.114 1.642 200 HA LEU 25 HA LEU 25 4.564 7.448 -0.519 201 1HB LEU 25 1HB LEU 25 3.433 7.795 1.877 202 2HB LEU 25 2HB LEU 25 2.272 8.664 0.901 203 HG LEU 25 HG LEU 25 1.780 6.681 -0.390 204 1HD1 LEU 25 1HD1 LEU 25 4.271 5.717 0.917 205 2HD1 LEU 25 2HD1 LEU 25 2.992 4.523 0.699 206 3HD1 LEU 25 3HD1 LEU 25 3.645 5.381 -0.698 207 1HD2 LEU 25 1HD2 LEU 25 1.726 6.594 2.587 208 2HD2 LEU 25 2HD2 LEU 25 0.390 6.541 1.437 209 3HD2 LEU 25 3HD2 LEU 25 1.348 5.092 1.743 210 H SER 26 H SER 26 3.221 7.583 -2.279 211 HA SER 26 HA SER 26 2.708 10.339 -3.228 212 1HB SER 26 1HB SER 26 4.235 8.508 -4.466 213 2HB SER 26 2HB SER 26 2.671 8.070 -5.145 214 HG SER 26 HG SER 26 3.850 10.658 -5.114 215 H SER 27 H SER 27 1.406 7.089 -3.959 216 HA SER 27 HA SER 27 -1.295 7.992 -3.290 217 1HB SER 27 1HB SER 27 -0.341 8.041 -5.977 218 2HB SER 27 2HB SER 27 -1.496 6.720 -5.850 219 HG SER 27 HG SER 27 -2.112 9.170 -6.148 220 H TRP 28 H TRP 28 -2.704 5.921 -4.472 221 HA TRP 28 HA TRP 28 -1.449 3.395 -3.698 222 1HB TRP 28 1HB TRP 28 -3.435 2.818 -2.247 223 2HB TRP 28 2HB TRP 28 -2.365 4.041 -1.568 224 HD1 TRP 28 HD1 TRP 28 -3.200 6.567 -1.572 225 HE1 TRP 28 HE1 TRP 28 -5.556 7.600 -1.721 226 HE3 TRP 28 HE3 TRP 28 -5.837 2.520 -3.251 227 HZ2 TRP 28 HZ2 TRP 28 -8.204 6.810 -2.471 228 HZ3 TRP 28 HZ3 TRP 28 -8.267 2.694 -3.676 229 HH2 TRP 28 HH2 TRP 28 -9.456 4.832 -3.284 230 H TYR 29 H TYR 29 -2.270 1.675 -4.809 231 HA TYR 29 HA TYR 29 -4.632 2.230 -6.501 232 1HB TYR 29 1HB TYR 29 -3.720 0.842 -8.249 233 2HB TYR 29 2HB TYR 29 -2.523 2.054 -7.815 234 HD1 TYR 29 HD1 TYR 29 -0.638 1.371 -6.197 235 HD2 TYR 29 HD2 TYR 29 -3.223 -1.459 -8.133 236 HE1 TYR 29 HE1 TYR 29 1.017 -0.422 -5.782 237 HE2 TYR 29 HE2 TYR 29 -1.566 -3.256 -7.717 238 HH TYR 29 HH TYR 29 1.026 -3.312 -7.340 239 HA PRO 30 HA PRO 30 -6.293 -1.285 -4.351 240 1HB PRO 30 1HB PRO 30 -8.619 -1.543 -5.758 241 2HB PRO 30 2HB PRO 30 -8.332 -0.278 -4.552 242 1HG PRO 30 1HG PRO 30 -8.435 -0.071 -7.499 243 2HG PRO 30 2HG PRO 30 -8.737 1.166 -6.271 244 1HD PRO 30 1HD PRO 30 -6.366 0.842 -7.816 245 2HD PRO 30 2HD PRO 30 -6.601 1.944 -6.439 246 H THR 31 H THR 31 -6.580 -3.505 -4.551 247 HA THR 31 HA THR 31 -5.807 -4.660 -7.162 248 HB THR 31 HB THR 31 -4.194 -5.144 -5.396 249 HG1 THR 31 HG1 THR 31 -4.485 -6.822 -6.791 250 1HG2 THR 31 1HG2 THR 31 -6.673 -5.691 -3.874 251 2HG2 THR 31 2HG2 THR 31 -5.338 -6.806 -3.580 252 3HG2 THR 31 3HG2 THR 31 -5.117 -5.077 -3.314 253 H SER 32 H SER 32 -6.575 -7.168 -7.049 254 HA SER 32 HA SER 32 -9.350 -7.128 -7.505 255 1HB SER 32 1HB SER 32 -7.285 -9.261 -7.244 256 2HB SER 32 2HB SER 32 -8.975 -9.738 -7.141 257 HG SER 32 HG SER 32 -9.296 -9.100 -9.169 258 H GLN 33 H GLN 33 -11.102 -7.819 -6.314 259 HA GLN 33 HA GLN 33 -10.657 -7.951 -3.402 260 1HB GLN 33 1HB GLN 33 -12.284 -6.272 -4.643 261 2HB GLN 33 2HB GLN 33 -13.380 -7.653 -4.596 262 1HG GLN 33 1HG GLN 33 -13.798 -6.443 -2.583 263 2HG GLN 33 2HG GLN 33 -12.817 -7.829 -2.105 264 2HE2 GLN 33 2HE2 GLN 33 -11.764 -6.812 -0.304 265 1HE2 GLN 33 1HE2 GLN 33 -10.698 -5.505 -0.490 266 H LEU 34 H LEU 34 -10.095 -10.267 -4.890 267 HA LEU 34 HA LEU 34 -11.961 -12.106 -3.628 268 1HB LEU 34 1HB LEU 34 -12.075 -13.445 -5.818 269 2HB LEU 34 2HB LEU 34 -13.148 -12.082 -5.613 270 HG LEU 34 HG LEU 34 -12.115 -12.322 -7.897 271 1HD1 LEU 34 1HD1 LEU 34 -12.783 -10.087 -6.502 272 2HD1 LEU 34 2HD1 LEU 34 -11.108 -9.719 -6.911 273 3HD1 LEU 34 3HD1 LEU 34 -12.271 -10.069 -8.189 274 1HD2 LEU 34 1HD2 LEU 34 -9.614 -11.468 -6.403 275 2HD2 LEU 34 2HD2 LEU 34 -9.867 -13.030 -7.181 276 3HD2 LEU 34 3HD2 LEU 34 -9.773 -11.565 -8.156 277 H CYS 35 H CYS 35 -9.310 -11.495 -3.051 278 HA CYS 35 HA CYS 35 -7.881 -13.929 -3.950 279 1HB CYS 35 1HB CYS 35 -6.942 -11.149 -3.355 280 2HB CYS 35 2HB CYS 35 -5.847 -12.504 -3.073 281 H SER 36 H SER 36 -9.772 -13.837 -1.771 282 HA SER 36 HA SER 36 -9.939 -14.742 0.340 283 1HB SER 36 1HB SER 36 -7.829 -16.056 -0.483 284 2HB SER 36 2HB SER 36 -6.959 -14.963 0.589 285 HG SER 36 HG SER 36 -8.034 -15.769 2.298 286 H LYS 37 H LYS 37 -6.876 -12.908 0.329 287 HA LYS 37 HA LYS 37 -8.063 -11.128 2.368 288 1HB LYS 37 1HB LYS 37 -5.861 -11.011 3.492 289 2HB LYS 37 2HB LYS 37 -6.532 -12.641 3.521 290 1HG LYS 37 1HG LYS 37 -5.146 -12.869 1.256 291 2HG LYS 37 2HG LYS 37 -4.193 -11.580 1.988 292 1HD LYS 37 1HD LYS 37 -3.663 -12.905 3.888 293 2HD LYS 37 2HD LYS 37 -4.911 -14.091 3.505 294 1HE LYS 37 1HE LYS 37 -3.469 -14.237 1.232 295 2HE LYS 37 2HE LYS 37 -2.189 -13.765 2.349 296 1HZ LYS 37 1HZ LYS 37 -2.866 -15.602 3.800 297 2HZ LYS 37 2HZ LYS 37 -4.020 -16.082 2.649 298 3HZ LYS 37 3HZ LYS 37 -2.368 -16.148 2.269 299 HA PRO 38 HA PRO 38 -6.162 -8.679 -1.080 300 1HB PRO 38 1HB PRO 38 -8.428 -7.384 -1.886 301 2HB PRO 38 2HB PRO 38 -7.917 -8.956 -2.519 302 1HG PRO 38 1HG PRO 38 -10.126 -8.311 -0.666 303 2HG PRO 38 2HG PRO 38 -9.927 -9.701 -1.742 304 1HD PRO 38 1HD PRO 38 -9.470 -9.637 1.074 305 2HD PRO 38 2HD PRO 38 -9.102 -10.974 -0.040 306 H GLY 39 H GLY 39 -6.316 -6.221 -1.438 307 1HA GLY 39 1HA GLY 39 -5.716 -4.840 0.917 308 2HA GLY 39 2HA GLY 39 -7.404 -4.504 0.538 309 H VAL 40 H VAL 40 -4.806 -2.882 0.444 310 HA VAL 40 HA VAL 40 -4.809 -2.134 -2.404 311 HB VAL 40 HB VAL 40 -5.069 -0.088 -0.190 312 1HG1 VAL 40 1HG1 VAL 40 -3.993 0.241 -2.641 313 2HG1 VAL 40 2HG1 VAL 40 -5.695 0.485 -3.031 314 3HG1 VAL 40 3HG1 VAL 40 -4.911 1.499 -1.818 315 1HG2 VAL 40 1HG2 VAL 40 -7.087 -1.541 -1.836 316 2HG2 VAL 40 2HG2 VAL 40 -7.222 -0.911 -0.195 317 3HG2 VAL 40 3HG2 VAL 40 -7.342 0.183 -1.573 318 H ILE 41 H ILE 41 -2.892 -1.489 -3.172 319 HA ILE 41 HA ILE 41 -0.608 -1.585 -1.328 320 HB ILE 41 HB ILE 41 -0.849 -1.828 -4.333 321 1HG1 ILE 41 1HG1 ILE 41 0.356 -4.033 -3.684 322 2HG1 ILE 41 2HG1 ILE 41 -0.167 -3.656 -2.042 323 1HG2 ILE 41 1HG2 ILE 41 1.687 -1.795 -2.661 324 2HG2 ILE 41 2HG2 ILE 41 1.597 -2.163 -4.383 325 3HG2 ILE 41 3HG2 ILE 41 1.203 -0.543 -3.807 326 1HD1 ILE 41 1HD1 ILE 41 -2.227 -3.438 -4.179 327 2HD1 ILE 41 2HD1 ILE 41 -1.699 -5.065 -3.749 328 3HD1 ILE 41 3HD1 ILE 41 -2.385 -4.006 -2.517 329 H PHE 42 H PHE 42 0.827 0.103 -1.129 330 HA PHE 42 HA PHE 42 -0.125 2.702 -2.163 331 1HB PHE 42 1HB PHE 42 1.290 1.843 0.321 332 2HB PHE 42 2HB PHE 42 1.659 3.442 -0.321 333 HD1 PHE 42 HD1 PHE 42 -1.005 1.267 1.030 334 HD2 PHE 42 HD2 PHE 42 0.016 5.211 -0.328 335 HE1 PHE 42 HE1 PHE 42 -3.108 2.147 2.006 336 HE2 PHE 42 HE2 PHE 42 -2.087 6.091 0.646 337 HZ PHE 42 HZ PHE 42 -3.646 4.560 1.817 338 H LEU 43 H LEU 43 0.999 3.607 -3.756 339 HA LEU 43 HA LEU 43 3.721 2.647 -4.318 340 1HB LEU 43 1HB LEU 43 2.499 4.665 -6.097 341 2HB LEU 43 2HB LEU 43 3.421 3.233 -6.490 342 HG LEU 43 HG LEU 43 1.162 2.044 -5.667 343 1HD1 LEU 43 1HD1 LEU 43 0.377 4.614 -5.394 344 2HD1 LEU 43 2HD1 LEU 43 -0.059 4.359 -7.083 345 3HD1 LEU 43 3HD1 LEU 43 -0.739 3.321 -5.830 346 1HD2 LEU 43 1HD2 LEU 43 1.767 3.292 -8.361 347 2HD2 LEU 43 2HD2 LEU 43 2.119 1.645 -7.838 348 3HD2 LEU 43 3HD2 LEU 43 0.451 2.147 -8.109 349 H THR 44 H THR 44 5.125 3.709 -2.996 350 HA THR 44 HA THR 44 4.809 6.380 -2.125 351 HB THR 44 HB THR 44 7.133 6.232 -1.398 352 HG1 THR 44 HG1 THR 44 7.131 3.925 -3.041 353 1HG2 THR 44 1HG2 THR 44 5.197 4.040 -0.949 354 2HG2 THR 44 2HG2 THR 44 6.860 3.685 -0.480 355 3HG2 THR 44 3HG2 THR 44 6.025 5.072 0.218 356 H LYS 45 H LYS 45 6.437 8.129 -2.628 357 HA LYS 45 HA LYS 45 6.219 8.907 -5.319 358 1HB LYS 45 1HB LYS 45 7.970 9.864 -3.059 359 2HB LYS 45 2HB LYS 45 8.058 10.581 -4.668 360 1HG LYS 45 1HG LYS 45 5.942 11.501 -4.530 361 2HG LYS 45 2HG LYS 45 5.355 10.247 -3.437 362 1HD LYS 45 1HD LYS 45 5.569 11.911 -1.880 363 2HD LYS 45 2HD LYS 45 7.246 11.366 -1.860 364 1HE LYS 45 1HE LYS 45 7.676 13.056 -3.726 365 2HE LYS 45 2HE LYS 45 6.078 13.712 -3.371 366 1HZ LYS 45 1HZ LYS 45 6.818 13.959 -1.034 367 2HZ LYS 45 2HZ LYS 45 8.384 13.507 -1.514 368 3HZ LYS 45 3HZ LYS 45 7.681 14.929 -2.125 369 H ARG 46 H ARG 46 9.138 7.873 -3.543 370 HA ARG 46 HA ARG 46 10.232 6.880 -6.106 371 1HB ARG 46 1HB ARG 46 11.274 9.049 -5.357 372 2HB ARG 46 2HB ARG 46 11.867 8.186 -3.936 373 1HG ARG 46 1HG ARG 46 13.291 6.818 -5.200 374 2HG ARG 46 2HG ARG 46 12.390 7.096 -6.691 375 1HD ARG 46 1HD ARG 46 13.128 9.490 -6.621 376 2HD ARG 46 2HD ARG 46 14.136 9.097 -5.233 377 HE ARG 46 HE ARG 46 14.677 7.369 -7.457 378 1HH1 ARG 46 1HH1 ARG 46 15.285 10.565 -6.165 379 2HH1 ARG 46 2HH1 ARG 46 16.784 10.745 -7.011 380 1HH2 ARG 46 1HH2 ARG 46 16.635 7.645 -8.541 381 2HH2 ARG 46 2HH2 ARG 46 17.542 9.107 -8.345 382 H GLY 47 H GLY 47 9.208 5.955 -3.094 383 1HA GLY 47 1HA GLY 47 9.785 4.267 -1.621 384 2HA GLY 47 2HA GLY 47 11.361 4.171 -2.398 385 H ARG 48 H ARG 48 8.406 2.660 -1.964 386 HA ARG 48 HA ARG 48 8.416 1.173 -4.473 387 1HB ARG 48 1HB ARG 48 9.564 0.122 -1.962 388 2HB ARG 48 2HB ARG 48 8.417 -0.954 -2.755 389 1HG ARG 48 1HG ARG 48 10.441 0.369 -4.495 390 2HG ARG 48 2HG ARG 48 11.022 -0.900 -3.416 391 1HD ARG 48 1HD ARG 48 8.579 -1.321 -5.125 392 2HD ARG 48 2HD ARG 48 10.192 -1.589 -5.776 393 HE ARG 48 HE ARG 48 9.817 -2.953 -3.281 394 1HH1 ARG 48 1HH1 ARG 48 9.116 -3.115 -6.707 395 2HH1 ARG 48 2HH1 ARG 48 8.988 -4.839 -6.714 396 1HH2 ARG 48 1HH2 ARG 48 9.641 -5.200 -3.335 397 2HH2 ARG 48 2HH2 ARG 48 9.283 -6.012 -4.823 398 H GLN 49 H GLN 49 6.833 -0.897 -3.928 399 HA GLN 49 HA GLN 49 4.291 0.356 -3.339 400 1HB GLN 49 1HB GLN 49 5.187 -2.280 -4.407 401 2HB GLN 49 2HB GLN 49 3.592 -2.193 -3.657 402 1HG GLN 49 1HG GLN 49 2.918 -0.415 -5.161 403 2HG GLN 49 2HG GLN 49 4.546 -0.308 -5.831 404 2HE2 GLN 49 2HE2 GLN 49 3.661 -0.846 -7.989 405 1HE2 GLN 49 1HE2 GLN 49 3.229 -2.446 -8.361 406 H VAL 50 H VAL 50 2.798 -0.419 -1.735 407 HA VAL 50 HA VAL 50 3.904 -2.073 0.419 408 HB VAL 50 HB VAL 50 2.860 0.738 0.871 409 1HG1 VAL 50 1HG1 VAL 50 3.379 -1.583 2.686 410 2HG1 VAL 50 2HG1 VAL 50 3.830 0.022 3.258 411 3HG1 VAL 50 3HG1 VAL 50 2.158 -0.316 2.808 412 1HG2 VAL 50 1HG2 VAL 50 5.589 -0.541 1.148 413 2HG2 VAL 50 2HG2 VAL 50 5.138 0.803 0.099 414 3HG2 VAL 50 3HG2 VAL 50 5.176 1.024 1.848 415 H CYS 51 H CYS 51 2.424 -3.605 0.642 416 HA CYS 51 HA CYS 51 -0.342 -3.268 -0.043 417 1HB CYS 51 1HB CYS 51 1.016 -5.453 1.561 418 2HB CYS 51 2HB CYS 51 -0.619 -5.526 0.910 419 H ALA 52 H ALA 52 -1.913 -2.412 1.204 420 HA ALA 52 HA ALA 52 -1.707 -2.636 4.117 421 1HB ALA 52 1HB ALA 52 -0.660 -0.406 3.108 422 2HB ALA 52 2HB ALA 52 -2.355 0.083 3.089 423 3HB ALA 52 3HB ALA 52 -1.592 -0.398 4.605 424 H ASP 53 H ASP 53 -3.601 -3.229 4.881 425 HA ASP 53 HA ASP 53 -5.986 -3.093 3.253 426 1HB ASP 53 1HB ASP 53 -5.379 -4.130 6.017 427 2HB ASP 53 2HB ASP 53 -7.038 -4.002 5.435 428 H LYS 54 H LYS 54 -7.374 -1.454 3.197 429 HA LYS 54 HA LYS 54 -7.029 0.959 4.552 430 1HB LYS 54 1HB LYS 54 -9.385 1.461 3.865 431 2HB LYS 54 2HB LYS 54 -8.374 0.867 2.546 432 1HG LYS 54 1HG LYS 54 -9.390 -1.249 2.548 433 2HG LYS 54 2HG LYS 54 -10.009 -1.054 4.188 434 1HD LYS 54 1HD LYS 54 -10.948 0.912 2.159 435 2HD LYS 54 2HD LYS 54 -11.569 -0.733 2.020 436 1HE LYS 54 1HE LYS 54 -11.560 0.616 4.703 437 2HE LYS 54 2HE LYS 54 -12.829 1.004 3.541 438 1HZ LYS 54 1HZ LYS 54 -12.127 -1.772 4.302 439 2HZ LYS 54 2HZ LYS 54 -13.332 -0.872 5.093 440 3HZ LYS 54 3HZ LYS 54 -13.491 -1.245 3.443 441 H SER 55 H SER 55 -8.567 -1.968 5.624 442 HA SER 55 HA SER 55 -10.328 -0.981 7.565 443 1HB SER 55 1HB SER 55 -9.551 -3.241 8.752 444 2HB SER 55 2HB SER 55 -10.593 -3.246 7.332 445 HG SER 55 HG SER 55 -7.988 -4.058 7.632 446 H LYS 56 H LYS 56 -6.846 -1.209 7.546 447 HA LYS 56 HA LYS 56 -6.324 -1.085 10.309 448 1HB LYS 56 1HB LYS 56 -4.717 0.129 8.045 449 2HB LYS 56 2HB LYS 56 -4.127 -0.195 9.675 450 1HG LYS 56 1HG LYS 56 -4.548 -2.596 9.372 451 2HG LYS 56 2HG LYS 56 -5.179 -2.291 7.753 452 1HD LYS 56 1HD LYS 56 -3.100 -1.930 6.860 453 2HD LYS 56 2HD LYS 56 -2.477 -1.200 8.341 454 1HE LYS 56 1HE LYS 56 -1.372 -3.339 8.019 455 2HE LYS 56 2HE LYS 56 -2.471 -3.479 9.391 456 1HZ LYS 56 1HZ LYS 56 -3.171 -4.268 6.618 457 2HZ LYS 56 2HZ LYS 56 -2.604 -5.350 7.796 458 3HZ LYS 56 3HZ LYS 56 -4.083 -4.547 8.024 459 H ASP 57 H ASP 57 -4.920 1.089 10.959 460 HA ASP 57 HA ASP 57 -6.972 3.194 10.982 461 1HB ASP 57 1HB ASP 57 -5.814 2.191 13.102 462 2HB ASP 57 2HB ASP 57 -4.489 3.268 12.660 463 H TRP 58 H TRP 58 -3.399 3.080 10.903 464 HA TRP 58 HA TRP 58 -3.109 5.701 9.910 465 1HB TRP 58 1HB TRP 58 -0.793 5.059 9.358 466 2HB TRP 58 2HB TRP 58 -1.246 4.549 10.980 467 HD1 TRP 58 HD1 TRP 58 -1.690 1.931 11.374 468 HE1 TRP 58 HE1 TRP 58 -0.823 -0.138 10.104 469 HE3 TRP 58 HE3 TRP 58 -0.166 4.135 7.031 470 HZ2 TRP 58 HZ2 TRP 58 0.363 -0.775 7.562 471 HZ3 TRP 58 HZ3 TRP 58 0.832 2.782 5.214 472 HH2 TRP 58 HH2 TRP 58 1.093 0.336 5.472 473 H VAL 59 H VAL 59 -3.700 2.662 8.301 474 HA VAL 59 HA VAL 59 -2.997 3.595 5.677 475 HB VAL 59 HB VAL 59 -4.818 1.295 6.430 476 1HG1 VAL 59 1HG1 VAL 59 -4.830 2.150 4.036 477 2HG1 VAL 59 2HG1 VAL 59 -3.123 1.713 3.954 478 3HG1 VAL 59 3HG1 VAL 59 -4.340 0.465 4.222 479 1HG2 VAL 59 1HG2 VAL 59 -1.819 1.398 5.975 480 2HG2 VAL 59 2HG2 VAL 59 -2.621 1.086 7.514 481 3HG2 VAL 59 3HG2 VAL 59 -2.760 -0.077 6.194 482 H LYS 60 H LYS 60 -5.890 3.545 7.658 483 HA LYS 60 HA LYS 60 -7.773 4.159 5.644 484 1HB LYS 60 1HB LYS 60 -8.199 3.450 8.090 485 2HB LYS 60 2HB LYS 60 -7.991 5.158 8.478 486 1HG LYS 60 1HG LYS 60 -9.848 5.804 7.158 487 2HG LYS 60 2HG LYS 60 -9.886 4.259 6.307 488 1HD LYS 60 1HD LYS 60 -10.836 3.130 8.121 489 2HD LYS 60 2HD LYS 60 -10.272 4.327 9.287 490 1HE LYS 60 1HE LYS 60 -11.846 5.919 7.804 491 2HE LYS 60 2HE LYS 60 -12.671 4.387 7.520 492 1HZ LYS 60 1HZ LYS 60 -12.713 4.062 9.952 493 2HZ LYS 60 2HZ LYS 60 -12.065 5.620 10.151 494 3HZ LYS 60 3HZ LYS 60 -13.598 5.418 9.448 495 H LYS 61 H LYS 61 -5.934 6.272 7.855 496 HA LYS 61 HA LYS 61 -6.997 8.703 6.859 497 1HB LYS 61 1HB LYS 61 -4.989 9.761 7.885 498 2HB LYS 61 2HB LYS 61 -5.819 8.664 8.988 499 1HG LYS 61 1HG LYS 61 -4.197 6.920 8.589 500 2HG LYS 61 2HG LYS 61 -3.442 7.852 7.295 501 1HD LYS 61 1HD LYS 61 -2.057 8.156 9.223 502 2HD LYS 61 2HD LYS 61 -2.973 9.652 9.036 503 1HE LYS 61 1HE LYS 61 -4.677 8.656 10.654 504 2HE LYS 61 2HE LYS 61 -3.486 7.400 10.989 505 1HZ LYS 61 1HZ LYS 61 -1.899 9.185 11.552 506 2HZ LYS 61 2HZ LYS 61 -3.141 10.324 11.366 507 3HZ LYS 61 3HZ LYS 61 -3.248 9.145 12.585 508 H LEU 62 H LEU 62 -4.399 6.612 5.798 509 HA LEU 62 HA LEU 62 -3.121 8.405 4.012 510 1HB LEU 62 1HB LEU 62 -3.341 5.415 4.118 511 2HB LEU 62 2HB LEU 62 -2.515 6.223 2.808 512 HG LEU 62 HG LEU 62 -1.763 6.519 5.719 513 1HD1 LEU 62 1HD1 LEU 62 -1.022 4.562 3.584 514 2HD1 LEU 62 2HD1 LEU 62 0.246 5.114 4.677 515 3HD1 LEU 62 3HD1 LEU 62 -1.186 4.316 5.321 516 1HD2 LEU 62 1HD2 LEU 62 -0.710 7.536 3.097 517 2HD2 LEU 62 2HD2 LEU 62 -0.845 8.373 4.644 518 3HD2 LEU 62 3HD2 LEU 62 0.434 7.185 4.392 519 H MET 63 H MET 63 -5.504 5.832 3.445 520 HA MET 63 HA MET 63 -5.952 6.189 0.734 521 1HB MET 63 1HB MET 63 -7.980 5.483 2.864 522 2HB MET 63 2HB MET 63 -8.235 5.289 1.134 523 1HG MET 63 1HG MET 63 -6.000 3.973 2.703 524 2HG MET 63 2HG MET 63 -7.495 3.174 2.232 525 1HE MET 63 1HE MET 63 -8.133 2.351 0.342 526 2HE MET 63 2HE MET 63 -8.130 3.642 -0.857 527 3HE MET 63 3HE MET 63 -7.253 2.138 -1.170 528 H GLN 64 H GLN 64 -7.463 7.899 3.432 529 HA GLN 64 HA GLN 64 -9.122 9.537 1.740 530 1HB GLN 64 1HB GLN 64 -9.549 8.936 4.204 531 2HB GLN 64 2HB GLN 64 -8.360 10.181 4.585 532 1HG GLN 64 1HG GLN 64 -9.674 11.861 3.405 533 2HG GLN 64 2HG GLN 64 -10.826 10.633 2.879 534 2HE2 GLN 64 2HE2 GLN 64 -12.352 9.814 4.447 535 1HE2 GLN 64 1HE2 GLN 64 -12.545 10.533 5.973 536 H GLN 65 H GLN 65 -5.944 9.777 3.189 537 HA GLN 65 HA GLN 65 -5.572 12.574 2.769 538 1HB GLN 65 1HB GLN 65 -3.823 10.259 3.459 539 2HB GLN 65 2HB GLN 65 -3.055 11.731 2.864 540 1HG GLN 65 1HG GLN 65 -5.151 12.185 4.897 541 2HG GLN 65 2HG GLN 65 -3.749 11.293 5.483 542 2HE2 GLN 65 2HE2 GLN 65 -4.615 14.299 3.709 543 1HE2 GLN 65 1HE2 GLN 65 -3.258 15.175 4.231 544 H LEU 66 H LEU 66 -4.580 9.682 0.975 545 HA LEU 66 HA LEU 66 -3.609 11.339 -1.241 546 1HB LEU 66 1HB LEU 66 -3.550 8.358 -0.797 547 2HB LEU 66 2HB LEU 66 -2.881 9.169 -2.195 548 HG LEU 66 HG LEU 66 -1.952 9.558 0.661 549 1HD1 LEU 66 1HD1 LEU 66 -1.525 7.341 -0.807 550 2HD1 LEU 66 2HD1 LEU 66 -0.237 8.356 -1.455 551 3HD1 LEU 66 3HD1 LEU 66 -0.300 8.009 0.272 552 1HD2 LEU 66 1HD2 LEU 66 -1.325 10.847 -1.953 553 2HD2 LEU 66 2HD2 LEU 66 -1.280 11.527 -0.326 554 3HD2 LEU 66 3HD2 LEU 66 0.039 10.500 -0.889 555 HA PRO 67 HA PRO 67 -7.345 10.642 -3.498 556 1HB PRO 67 1HB PRO 67 -6.460 11.177 -6.033 557 2HB PRO 67 2HB PRO 67 -6.762 12.418 -4.810 558 1HG PRO 67 1HG PRO 67 -4.188 11.382 -5.834 559 2HG PRO 67 2HG PRO 67 -4.563 12.951 -5.108 560 1HD PRO 67 1HD PRO 67 -3.290 10.756 -3.826 561 2HD PRO 67 2HD PRO 67 -3.889 12.239 -3.047 562 H VAL 68 H VAL 68 -5.004 9.579 -5.946 563 HA VAL 68 HA VAL 68 -4.986 6.856 -5.665 564 HB VAL 68 HB VAL 68 -7.631 7.791 -6.565 565 1HG1 VAL 68 1HG1 VAL 68 -6.294 5.606 -8.191 566 2HG1 VAL 68 2HG1 VAL 68 -8.013 6.000 -8.227 567 3HG1 VAL 68 3HG1 VAL 68 -6.827 7.171 -8.804 568 1HG2 VAL 68 1HG2 VAL 68 -6.519 5.846 -4.874 569 2HG2 VAL 68 2HG2 VAL 68 -8.229 6.114 -5.195 570 3HG2 VAL 68 3HG2 VAL 68 -7.330 4.931 -6.143 571 H THR 69 H THR 69 -3.857 5.880 -7.330 572 HA THR 69 HA THR 69 -2.679 7.732 -9.253 573 HB THR 69 HB THR 69 -1.140 6.287 -8.058 574 HG1 THR 69 HG1 THR 69 -0.077 5.545 -9.817 575 1HG2 THR 69 1HG2 THR 69 -2.958 4.108 -9.084 576 2HG2 THR 69 2HG2 THR 69 -1.307 3.772 -8.560 577 3HG2 THR 69 3HG2 THR 69 -2.476 4.436 -7.419 578 H ALA 70 H ALA 70 -2.370 7.036 -11.508 579 HA ALA 70 HA ALA 70 -4.880 6.211 -12.656 580 1HB ALA 70 1HB ALA 70 -3.669 7.880 -13.858 581 2HB ALA 70 2HB ALA 70 -2.197 6.908 -13.858 582 3HB ALA 70 3HB ALA 70 -3.583 6.410 -14.829 583 H ARG 71 H ARG 71 -5.494 4.198 -13.033 584 HA ARG 71 HA ARG 71 -3.724 1.972 -12.649 585 1HB ARG 71 1HB ARG 71 -5.694 0.616 -13.380 586 2HB ARG 71 2HB ARG 71 -6.062 1.727 -12.059 587 1HG ARG 71 1HG ARG 71 -7.327 3.125 -13.401 588 2HG ARG 71 2HG ARG 71 -6.438 2.697 -14.864 589 1HD ARG 71 1HD ARG 71 -7.506 0.503 -14.914 590 2HD ARG 71 2HD ARG 71 -8.330 0.840 -13.397 591 HE ARG 71 HE ARG 71 -8.998 2.860 -15.251 592 1HH1 ARG 71 1HH1 ARG 71 -9.511 -0.561 -14.706 593 2HH1 ARG 71 2HH1 ARG 71 -11.037 -0.576 -15.520 594 1HH2 ARG 71 1HH2 ARG 71 -10.991 2.794 -16.304 595 2HH2 ARG 71 2HH2 ARG 71 -11.869 1.305 -16.419 No H/Q in entry = 595 Start of MODEL 34 1 H1 LEU 1 H1 LEU 1 2.147 -18.401 -7.881 2 H2 LEU 1 H2 LEU 1 1.318 -17.195 -7.025 3 H3 LEU 1 H3 LEU 1 1.604 -18.705 -6.301 4 HA LEU 1 HA LEU 1 -0.582 -18.928 -6.919 5 1HB LEU 1 1HB LEU 1 0.263 -17.163 -9.201 6 2HB LEU 1 2HB LEU 1 -1.196 -18.143 -9.351 7 HG LEU 1 HG LEU 1 -0.826 -16.551 -6.847 8 1HD1 LEU 1 1HD1 LEU 1 -1.463 -15.437 -9.580 9 2HD1 LEU 1 2HD1 LEU 1 -2.067 -14.667 -8.112 10 3HD1 LEU 1 3HD1 LEU 1 -0.330 -14.815 -8.380 11 1HD2 LEU 1 1HD2 LEU 1 -3.080 -17.583 -8.558 12 2HD2 LEU 1 2HD2 LEU 1 -2.785 -17.846 -6.839 13 3HD2 LEU 1 3HD2 LEU 1 -3.370 -16.281 -7.404 14 H GLY 2 H GLY 2 1.763 -20.558 -7.230 15 1HA GLY 2 1HA GLY 2 1.169 -22.072 -9.699 16 2HA GLY 2 2HA GLY 2 1.207 -22.891 -8.139 17 H ALA 3 H ALA 3 3.185 -20.774 -10.213 18 HA ALA 3 HA ALA 3 5.430 -22.487 -10.225 19 1HB ALA 3 1HB ALA 3 5.072 -19.568 -10.880 20 2HB ALA 3 2HB ALA 3 6.652 -20.344 -10.964 21 3HB ALA 3 3HB ALA 3 5.332 -20.917 -11.984 22 H SER 4 H SER 4 4.515 -19.777 -8.171 23 HA SER 4 HA SER 4 5.353 -19.011 -6.171 24 1HB SER 4 1HB SER 4 6.660 -21.740 -6.096 25 2HB SER 4 2HB SER 4 6.539 -20.629 -4.735 26 HG SER 4 HG SER 4 4.454 -21.045 -4.569 27 H TRP 5 H TRP 5 6.783 -18.503 -8.650 28 HA TRP 5 HA TRP 5 9.444 -17.961 -7.494 29 1HB TRP 5 1HB TRP 5 8.819 -19.561 -9.857 30 2HB TRP 5 2HB TRP 5 9.891 -18.216 -10.242 31 HD1 TRP 5 HD1 TRP 5 9.979 -21.642 -8.991 32 HE1 TRP 5 HE1 TRP 5 12.242 -22.170 -7.875 33 HE3 TRP 5 HE3 TRP 5 11.848 -16.915 -8.516 34 HZ2 TRP 5 HZ2 TRP 5 14.543 -20.769 -6.907 35 HZ3 TRP 5 HZ3 TRP 5 14.076 -16.541 -7.494 36 HH2 TRP 5 HH2 TRP 5 15.424 -18.460 -6.690 37 H HIS 6 H HIS 6 7.905 -17.287 -10.620 38 HA HIS 6 HA HIS 6 8.495 -14.429 -10.219 39 1HB HIS 6 1HB HIS 6 8.013 -16.124 -12.658 40 2HB HIS 6 2HB HIS 6 7.847 -14.369 -12.730 41 HD1 HIS 6 HD1 HIS 6 9.983 -14.142 -14.217 42 HD2 HIS 6 HD2 HIS 6 10.693 -15.860 -10.486 43 HE1 HIS 6 HE1 HIS 6 12.495 -14.142 -13.895 44 H ARG 7 H ARG 7 6.908 -12.842 -10.791 45 HA ARG 7 HA ARG 7 4.811 -11.903 -10.679 46 1HB ARG 7 1HB ARG 7 4.595 -13.712 -12.626 47 2HB ARG 7 2HB ARG 7 3.489 -14.456 -11.470 48 1HG ARG 7 1HG ARG 7 2.567 -11.976 -11.264 49 2HG ARG 7 2HG ARG 7 3.271 -11.820 -12.874 50 1HD ARG 7 1HD ARG 7 1.803 -13.327 -13.815 51 2HD ARG 7 2HD ARG 7 1.612 -14.237 -12.321 52 HE ARG 7 HE ARG 7 0.489 -11.587 -12.161 53 1HH1 ARG 7 1HH1 ARG 7 -0.090 -14.872 -13.227 54 2HH1 ARG 7 2HH1 ARG 7 -1.809 -14.723 -13.123 55 1HH2 ARG 7 1HH2 ARG 7 -1.758 -11.437 -12.039 56 2HH2 ARG 7 2HH2 ARG 7 -2.749 -12.795 -12.455 57 HA PRO 8 HA PRO 8 3.853 -13.944 -6.682 58 1HB PRO 8 1HB PRO 8 3.970 -11.675 -5.167 59 2HB PRO 8 2HB PRO 8 5.384 -12.664 -5.566 60 1HG PRO 8 1HG PRO 8 4.589 -10.016 -6.615 61 2HG PRO 8 2HG PRO 8 6.194 -10.754 -6.515 62 1HD PRO 8 1HD PRO 8 4.550 -10.563 -8.833 63 2HD PRO 8 2HD PRO 8 6.062 -11.485 -8.673 64 H ASP 9 H ASP 9 2.140 -13.300 -4.981 65 HA ASP 9 HA ASP 9 -0.340 -12.854 -6.306 66 1HB ASP 9 1HB ASP 9 0.153 -14.154 -4.101 67 2HB ASP 9 2HB ASP 9 -0.008 -12.573 -3.335 68 H LYS 10 H LYS 10 -1.202 -10.989 -6.901 69 HA LYS 10 HA LYS 10 -0.073 -8.468 -6.216 70 1HB LYS 10 1HB LYS 10 -1.507 -9.164 -8.294 71 2HB LYS 10 2HB LYS 10 -2.872 -8.739 -7.261 72 1HG LYS 10 1HG LYS 10 -2.407 -6.700 -8.310 73 2HG LYS 10 2HG LYS 10 -1.505 -6.551 -6.802 74 1HD LYS 10 1HD LYS 10 0.133 -5.949 -8.334 75 2HD LYS 10 2HD LYS 10 0.424 -7.685 -8.217 76 1HE LYS 10 1HE LYS 10 -0.996 -8.055 -10.206 77 2HE LYS 10 2HE LYS 10 -1.269 -6.317 -10.329 78 1HZ LYS 10 1HZ LYS 10 1.412 -7.586 -10.403 79 2HZ LYS 10 2HZ LYS 10 0.526 -7.162 -11.786 80 3HZ LYS 10 3HZ LYS 10 1.042 -5.955 -10.706 81 H CYS 11 H CYS 11 -2.749 -10.363 -4.974 82 HA CYS 11 HA CYS 11 -3.919 -8.286 -3.401 83 1HB CYS 11 1HB CYS 11 -4.103 -11.281 -3.018 84 2HB CYS 11 2HB CYS 11 -5.183 -10.069 -2.329 85 H CYS 12 H CYS 12 -1.089 -10.198 -3.006 86 HA CYS 12 HA CYS 12 0.479 -10.292 -1.334 87 1HB CYS 12 1HB CYS 12 -1.144 -8.143 0.049 88 2HB CYS 12 2HB CYS 12 0.539 -8.566 0.355 89 H LEU 13 H LEU 13 0.558 -12.009 -0.072 90 HA LEU 13 HA LEU 13 -1.709 -13.159 1.187 91 1HB LEU 13 1HB LEU 13 1.170 -13.636 1.935 92 2HB LEU 13 2HB LEU 13 -0.186 -14.714 2.184 93 HG LEU 13 HG LEU 13 0.522 -13.933 -0.616 94 1HD1 LEU 13 1HD1 LEU 13 2.017 -15.916 1.121 95 2HD1 LEU 13 2HD1 LEU 13 2.096 -15.908 -0.641 96 3HD1 LEU 13 3HD1 LEU 13 2.688 -14.522 0.275 97 1HD2 LEU 13 1HD2 LEU 13 -0.700 -16.288 0.824 98 2HD2 LEU 13 2HD2 LEU 13 -1.404 -15.297 -0.452 99 3HD2 LEU 13 3HD2 LEU 13 -0.115 -16.440 -0.832 100 H GLY 14 H GLY 14 0.807 -10.964 2.251 101 1HA GLY 14 1HA GLY 14 1.176 -10.583 4.691 102 2HA GLY 14 2HA GLY 14 -0.575 -10.704 4.860 103 H TYR 15 H TYR 15 1.062 -8.469 5.633 104 HA TYR 15 HA TYR 15 0.517 -6.401 3.628 105 1HB TYR 15 1HB TYR 15 -0.694 -6.410 6.404 106 2HB TYR 15 2HB TYR 15 -0.640 -4.994 5.353 107 HD1 TYR 15 HD1 TYR 15 -2.014 -8.416 5.740 108 HD2 TYR 15 HD2 TYR 15 -2.072 -4.797 3.435 109 HE1 TYR 15 HE1 TYR 15 -4.049 -9.200 4.559 110 HE2 TYR 15 HE2 TYR 15 -4.103 -5.574 2.254 111 HH TYR 15 HH TYR 15 -6.018 -8.051 3.328 112 H GLN 16 H GLN 16 1.256 -4.190 4.567 113 HA GLN 16 HA GLN 16 3.997 -4.349 5.165 114 1HB GLN 16 1HB GLN 16 2.312 -2.304 4.436 115 2HB GLN 16 2HB GLN 16 2.655 -1.896 6.116 116 1HG GLN 16 1HG GLN 16 4.831 -2.602 4.134 117 2HG GLN 16 2HG GLN 16 4.279 -0.948 4.388 118 2HE2 GLN 16 2HE2 GLN 16 5.931 -3.678 5.951 119 1HE2 GLN 16 1HE2 GLN 16 6.569 -2.769 7.235 120 H LYS 17 H LYS 17 1.180 -3.953 7.238 121 HA LYS 17 HA LYS 17 0.864 -4.262 9.488 122 1HB LYS 17 1HB LYS 17 2.464 -6.281 8.855 123 2HB LYS 17 2HB LYS 17 3.598 -5.389 9.870 124 1HG LYS 17 1HG LYS 17 2.096 -5.447 11.745 125 2HG LYS 17 2HG LYS 17 0.781 -6.069 10.746 126 1HD LYS 17 1HD LYS 17 2.196 -8.106 10.293 127 2HD LYS 17 2HD LYS 17 3.343 -7.503 11.490 128 1HE LYS 17 1HE LYS 17 1.360 -7.388 13.109 129 2HE LYS 17 2HE LYS 17 0.475 -8.350 11.925 130 1HZ LYS 17 1HZ LYS 17 2.553 -9.855 12.038 131 2HZ LYS 17 2HZ LYS 17 2.834 -9.084 13.525 132 3HZ LYS 17 3HZ LYS 17 1.395 -9.951 13.274 133 H ARG 18 H ARG 18 2.728 -1.976 8.297 134 HA ARG 18 HA ARG 18 3.253 -0.830 10.930 135 1HB ARG 18 1HB ARG 18 5.363 -1.291 8.829 136 2HB ARG 18 2HB ARG 18 5.521 -0.013 10.032 137 1HG ARG 18 1HG ARG 18 4.957 -2.887 10.782 138 2HG ARG 18 2HG ARG 18 6.594 -2.253 10.630 139 1HD ARG 18 1HD ARG 18 4.723 -0.629 12.262 140 2HD ARG 18 2HD ARG 18 5.188 -2.184 12.944 141 HE ARG 18 HE ARG 18 7.550 -1.011 12.109 142 1HH1 ARG 18 1HH1 ARG 18 4.954 -0.185 14.307 143 2HH1 ARG 18 2HH1 ARG 18 5.979 0.736 15.351 144 1HH2 ARG 18 1HH2 ARG 18 8.852 0.200 13.497 145 2HH2 ARG 18 2HH2 ARG 18 8.167 0.954 14.898 146 HA PRO 19 HA PRO 19 1.752 2.661 8.636 147 1HB PRO 19 1HB PRO 19 2.154 4.601 10.514 148 2HB PRO 19 2HB PRO 19 0.859 3.399 10.600 149 1HG PRO 19 1HG PRO 19 3.330 3.597 12.194 150 2HG PRO 19 2HG PRO 19 1.807 2.783 12.574 151 1HD PRO 19 1HD PRO 19 4.230 1.571 11.649 152 2HD PRO 19 2HD PRO 19 2.656 0.781 11.906 153 H LEU 20 H LEU 20 2.657 3.806 7.044 154 HA LEU 20 HA LEU 20 5.446 4.726 7.355 155 1HB LEU 20 1HB LEU 20 4.206 4.983 4.702 156 2HB LEU 20 2HB LEU 20 5.778 4.366 5.151 157 HG LEU 20 HG LEU 20 3.160 2.848 5.189 158 1HD1 LEU 20 1HD1 LEU 20 5.521 3.016 3.364 159 2HD1 LEU 20 2HD1 LEU 20 4.749 1.444 3.575 160 3HD1 LEU 20 3HD1 LEU 20 3.814 2.813 2.973 161 1HD2 LEU 20 1HD2 LEU 20 5.164 2.422 6.955 162 2HD2 LEU 20 2HD2 LEU 20 4.193 1.115 6.280 163 3HD2 LEU 20 3HD2 LEU 20 5.773 1.484 5.592 164 HA PRO 21 HA PRO 21 4.015 8.914 7.317 165 1HB PRO 21 1HB PRO 21 6.251 10.202 6.409 166 2HB PRO 21 2HB PRO 21 6.108 9.504 8.032 167 1HG PRO 21 1HG PRO 21 7.654 8.532 5.705 168 2HG PRO 21 2HG PRO 21 7.922 8.255 7.431 169 1HD PRO 21 1HD PRO 21 6.738 6.441 5.581 170 2HD PRO 21 2HD PRO 21 6.817 6.260 7.349 171 H GLN 22 H GLN 22 2.788 10.114 5.963 172 HA GLN 22 HA GLN 22 2.619 9.538 3.186 173 1HB GLN 22 1HB GLN 22 0.779 10.474 4.682 174 2HB GLN 22 2HB GLN 22 1.571 12.040 4.508 175 1HG GLN 22 1HG GLN 22 1.097 10.522 1.997 176 2HG GLN 22 2HG GLN 22 -0.333 11.173 2.798 177 2HE2 GLN 22 2HE2 GLN 22 1.663 11.986 0.378 178 1HE2 GLN 22 1HE2 GLN 22 1.740 13.670 0.577 179 H VAL 23 H VAL 23 4.766 11.539 4.946 180 HA VAL 23 HA VAL 23 5.208 13.690 3.258 181 HB VAL 23 HB VAL 23 6.222 13.441 5.498 182 1HG1 VAL 23 1HG1 VAL 23 6.932 10.942 4.709 183 2HG1 VAL 23 2HG1 VAL 23 8.455 11.792 4.456 184 3HG1 VAL 23 3HG1 VAL 23 7.698 11.791 6.050 185 1HG2 VAL 23 1HG2 VAL 23 7.180 15.035 3.860 186 2HG2 VAL 23 2HG2 VAL 23 8.411 14.384 4.941 187 3HG2 VAL 23 3HG2 VAL 23 8.274 13.773 3.293 188 H LEU 24 H LEU 24 6.242 10.381 2.948 189 HA LEU 24 HA LEU 24 7.754 11.045 0.500 190 1HB LEU 24 1HB LEU 24 8.674 8.788 0.674 191 2HB LEU 24 2HB LEU 24 8.985 9.720 2.123 192 HG LEU 24 HG LEU 24 6.876 8.525 3.065 193 1HD1 LEU 24 1HD1 LEU 24 7.116 7.309 0.445 194 2HD1 LEU 24 2HD1 LEU 24 7.285 6.085 1.703 195 3HD1 LEU 24 3HD1 LEU 24 5.849 7.104 1.651 196 1HD2 LEU 24 1HD2 LEU 24 9.478 8.151 3.428 197 2HD2 LEU 24 2HD2 LEU 24 8.296 7.032 4.108 198 3HD2 LEU 24 3HD2 LEU 24 9.137 6.624 2.612 199 H LEU 25 H LEU 25 5.045 9.271 1.796 200 HA LEU 25 HA LEU 25 4.438 7.591 -0.348 201 1HB LEU 25 1HB LEU 25 3.328 7.992 2.048 202 2HB LEU 25 2HB LEU 25 2.191 8.895 1.075 203 HG LEU 25 HG LEU 25 1.621 6.920 -0.198 204 1HD1 LEU 25 1HD1 LEU 25 4.005 5.794 1.238 205 2HD1 LEU 25 2HD1 LEU 25 2.707 4.710 0.737 206 3HD1 LEU 25 3HD1 LEU 25 3.568 5.667 -0.466 207 1HD2 LEU 25 1HD2 LEU 25 1.627 6.786 2.794 208 2HD2 LEU 25 2HD2 LEU 25 0.264 6.921 1.684 209 3HD2 LEU 25 3HD2 LEU 25 1.078 5.371 1.896 210 H SER 26 H SER 26 3.041 7.745 -2.091 211 HA SER 26 HA SER 26 2.582 10.510 -3.046 212 1HB SER 26 1HB SER 26 4.097 8.649 -4.285 213 2HB SER 26 2HB SER 26 2.529 8.277 -4.996 214 HG SER 26 HG SER 26 3.188 9.879 -6.256 215 H SER 27 H SER 27 1.270 7.280 -3.825 216 HA SER 27 HA SER 27 -1.431 8.163 -3.134 217 1HB SER 27 1HB SER 27 -2.371 7.773 -5.310 218 2HB SER 27 2HB SER 27 -1.030 8.894 -5.513 219 HG SER 27 HG SER 27 0.262 7.020 -6.026 220 H TRP 28 H TRP 28 -2.911 6.203 -4.218 221 HA TRP 28 HA TRP 28 -1.658 3.611 -3.687 222 1HB TRP 28 1HB TRP 28 -3.465 2.985 -2.084 223 2HB TRP 28 2HB TRP 28 -2.423 4.263 -1.463 224 HD1 TRP 28 HD1 TRP 28 -3.412 6.743 -1.381 225 HE1 TRP 28 HE1 TRP 28 -5.835 7.626 -1.390 226 HE3 TRP 28 HE3 TRP 28 -5.868 2.546 -2.945 227 HZ2 TRP 28 HZ2 TRP 28 -8.468 6.664 -2.001 228 HZ3 TRP 28 HZ3 TRP 28 -8.324 2.560 -3.236 229 HH2 TRP 28 HH2 TRP 28 -9.629 4.612 -2.761 230 H TYR 29 H TYR 29 -3.160 1.807 -4.222 231 HA TYR 29 HA TYR 29 -5.479 2.545 -5.820 232 1HB TYR 29 1HB TYR 29 -4.773 1.531 -7.867 233 2HB TYR 29 2HB TYR 29 -3.500 2.643 -7.377 234 HD1 TYR 29 HD1 TYR 29 -4.492 -0.933 -7.479 235 HD2 TYR 29 HD2 TYR 29 -1.300 1.869 -6.857 236 HE1 TYR 29 HE1 TYR 29 -2.851 -2.789 -7.547 237 HE2 TYR 29 HE2 TYR 29 0.341 0.014 -6.923 238 HH TYR 29 HH TYR 29 -0.339 -3.060 -6.475 239 HA PRO 30 HA PRO 30 -6.706 -1.314 -3.994 240 1HB PRO 30 1HB PRO 30 -9.164 -1.547 -5.165 241 2HB PRO 30 2HB PRO 30 -8.807 -0.428 -3.841 242 1HG PRO 30 1HG PRO 30 -9.252 0.138 -6.709 243 2HG PRO 30 2HG PRO 30 -9.482 1.188 -5.303 244 1HD PRO 30 1HD PRO 30 -7.287 1.231 -7.114 245 2HD PRO 30 2HD PRO 30 -7.420 2.123 -5.580 246 H THR 31 H THR 31 -6.455 -3.438 -4.455 247 HA THR 31 HA THR 31 -6.059 -4.196 -7.268 248 HB THR 31 HB THR 31 -4.229 -4.791 -5.804 249 HG1 THR 31 HG1 THR 31 -4.186 -6.975 -6.221 250 1HG2 THR 31 1HG2 THR 31 -6.461 -5.726 -4.068 251 2HG2 THR 31 2HG2 THR 31 -4.957 -6.646 -4.015 252 3HG2 THR 31 3HG2 THR 31 -4.952 -4.926 -3.627 253 H SER 32 H SER 32 -6.666 -6.632 -7.621 254 HA SER 32 HA SER 32 -9.472 -6.810 -7.645 255 1HB SER 32 1HB SER 32 -9.180 -8.980 -8.564 256 2HB SER 32 2HB SER 32 -7.815 -8.035 -9.143 257 HG SER 32 HG SER 32 -6.743 -9.663 -8.311 258 H GLN 33 H GLN 33 -10.938 -7.741 -6.319 259 HA GLN 33 HA GLN 33 -9.965 -8.638 -3.690 260 1HB GLN 33 1HB GLN 33 -12.479 -7.392 -4.687 261 2HB GLN 33 2HB GLN 33 -12.610 -8.505 -3.324 262 1HG GLN 33 1HG GLN 33 -11.441 -7.129 -1.908 263 2HG GLN 33 2HG GLN 33 -10.415 -6.501 -3.196 264 2HE2 GLN 33 2HE2 GLN 33 -12.712 -5.466 -1.089 265 1HE2 GLN 33 1HE2 GLN 33 -13.439 -4.245 -2.017 266 H LEU 34 H LEU 34 -9.861 -10.329 -6.095 267 HA LEU 34 HA LEU 34 -11.959 -12.312 -5.725 268 1HB LEU 34 1HB LEU 34 -9.514 -12.724 -7.398 269 2HB LEU 34 2HB LEU 34 -11.124 -13.371 -7.622 270 HG LEU 34 HG LEU 34 -10.600 -10.420 -7.912 271 1HD1 LEU 34 1HD1 LEU 34 -9.045 -11.898 -9.347 272 2HD1 LEU 34 2HD1 LEU 34 -10.510 -12.377 -10.204 273 3HD1 LEU 34 3HD1 LEU 34 -10.013 -10.685 -10.185 274 1HD2 LEU 34 1HD2 LEU 34 -12.926 -11.609 -7.792 275 2HD2 LEU 34 2HD2 LEU 34 -12.644 -10.416 -9.060 276 3HD2 LEU 34 3HD2 LEU 34 -12.547 -12.138 -9.432 277 H CYS 35 H CYS 35 -8.605 -11.807 -4.864 278 HA CYS 35 HA CYS 35 -7.879 -14.438 -4.184 279 1HB CYS 35 1HB CYS 35 -6.953 -11.908 -2.800 280 2HB CYS 35 2HB CYS 35 -6.108 -13.453 -2.857 281 H SER 36 H SER 36 -7.149 -14.629 -1.626 282 HA SER 36 HA SER 36 -9.692 -14.986 -0.268 283 1HB SER 36 1HB SER 36 -8.146 -16.794 -0.030 284 2HB SER 36 2HB SER 36 -6.848 -15.706 0.452 285 HG SER 36 HG SER 36 -8.567 -16.939 2.003 286 H LYS 37 H LYS 37 -6.870 -12.917 -0.067 287 HA LYS 37 HA LYS 37 -8.304 -11.225 1.862 288 1HB LYS 37 1HB LYS 37 -6.136 -10.890 3.119 289 2HB LYS 37 2HB LYS 37 -6.878 -12.474 3.327 290 1HG LYS 37 1HG LYS 37 -5.022 -12.297 1.036 291 2HG LYS 37 2HG LYS 37 -4.258 -12.070 2.609 292 1HD LYS 37 1HD LYS 37 -5.591 -14.174 3.329 293 2HD LYS 37 2HD LYS 37 -5.802 -14.453 1.601 294 1HE LYS 37 1HE LYS 37 -3.044 -13.820 2.520 295 2HE LYS 37 2HE LYS 37 -3.683 -15.403 2.962 296 1HZ LYS 37 1HZ LYS 37 -4.391 -15.457 0.484 297 2HZ LYS 37 2HZ LYS 37 -3.183 -14.282 0.292 298 3HZ LYS 37 3HZ LYS 37 -2.785 -15.814 0.908 299 HA PRO 38 HA PRO 38 -6.331 -8.705 -1.429 300 1HB PRO 38 1HB PRO 38 -8.517 -7.152 -1.952 301 2HB PRO 38 2HB PRO 38 -8.227 -8.728 -2.706 302 1HG PRO 38 1HG PRO 38 -10.178 -7.980 -0.614 303 2HG PRO 38 2HG PRO 38 -10.229 -9.310 -1.780 304 1HD PRO 38 1HD PRO 38 -9.518 -9.484 0.974 305 2HD PRO 38 2HD PRO 38 -9.374 -10.769 -0.248 306 H GLY 39 H GLY 39 -6.148 -6.262 -1.619 307 1HA GLY 39 1HA GLY 39 -5.177 -5.071 0.656 308 2HA GLY 39 2HA GLY 39 -6.880 -4.621 0.623 309 H VAL 40 H VAL 40 -4.346 -3.045 0.251 310 HA VAL 40 HA VAL 40 -4.704 -2.082 -2.509 311 HB VAL 40 HB VAL 40 -4.655 -0.212 -0.130 312 1HG1 VAL 40 1HG1 VAL 40 -3.906 0.320 -2.648 313 2HG1 VAL 40 2HG1 VAL 40 -5.645 0.551 -2.817 314 3HG1 VAL 40 3HG1 VAL 40 -4.740 1.496 -1.637 315 1HG2 VAL 40 1HG2 VAL 40 -6.926 -1.386 -1.722 316 2HG2 VAL 40 2HG2 VAL 40 -6.771 -1.238 0.029 317 3HG2 VAL 40 3HG2 VAL 40 -7.078 0.194 -0.953 318 H ILE 41 H ILE 41 -2.874 -1.342 -3.457 319 HA ILE 41 HA ILE 41 -0.415 -1.562 -1.867 320 HB ILE 41 HB ILE 41 -1.080 -1.981 -4.741 321 1HG1 ILE 41 1HG1 ILE 41 -0.745 -3.816 -3.113 322 2HG1 ILE 41 2HG1 ILE 41 0.427 -3.876 -4.426 323 1HG2 ILE 41 1HG2 ILE 41 1.686 -1.093 -3.847 324 2HG2 ILE 41 2HG2 ILE 41 1.296 -1.767 -5.430 325 3HG2 ILE 41 3HG2 ILE 41 0.625 -0.209 -4.944 326 1HD1 ILE 41 1HD1 ILE 41 1.605 -2.253 -2.449 327 2HD1 ILE 41 2HD1 ILE 41 0.885 -3.609 -1.587 328 3HD1 ILE 41 3HD1 ILE 41 2.053 -3.906 -2.870 329 H PHE 42 H PHE 42 0.314 0.256 -1.052 330 HA PHE 42 HA PHE 42 -0.432 2.830 -2.161 331 1HB PHE 42 1HB PHE 42 0.848 1.843 0.313 332 2HB PHE 42 2HB PHE 42 1.484 3.378 -0.270 333 HD1 PHE 42 HD1 PHE 42 -1.557 1.600 0.867 334 HD2 PHE 42 HD2 PHE 42 0.147 5.378 -0.258 335 HE1 PHE 42 HE1 PHE 42 -3.547 2.768 1.776 336 HE2 PHE 42 HE2 PHE 42 -1.844 6.545 0.645 337 HZ PHE 42 HZ PHE 42 -3.688 5.240 1.670 338 H LEU 43 H LEU 43 0.697 3.886 -3.653 339 HA LEU 43 HA LEU 43 3.369 2.898 -4.378 340 1HB LEU 43 1HB LEU 43 1.783 4.995 -5.832 341 2HB LEU 43 2HB LEU 43 3.103 4.022 -6.442 342 HG LEU 43 HG LEU 43 0.636 2.593 -5.570 343 1HD1 LEU 43 1HD1 LEU 43 0.808 4.563 -7.806 344 2HD1 LEU 43 2HD1 LEU 43 -0.016 3.038 -8.133 345 3HD1 LEU 43 3HD1 LEU 43 -0.584 4.087 -6.834 346 1HD2 LEU 43 1HD2 LEU 43 2.923 2.266 -7.449 347 2HD2 LEU 43 2HD2 LEU 43 2.125 1.069 -6.432 348 3HD2 LEU 43 3HD2 LEU 43 1.385 1.565 -7.952 349 H THR 44 H THR 44 4.801 3.817 -2.949 350 HA THR 44 HA THR 44 4.600 6.470 -1.960 351 HB THR 44 HB THR 44 6.979 6.155 -1.311 352 HG1 THR 44 HG1 THR 44 7.373 4.826 -3.293 353 1HG2 THR 44 1HG2 THR 44 4.842 4.159 -0.763 354 2HG2 THR 44 2HG2 THR 44 6.470 3.765 -0.209 355 3HG2 THR 44 3HG2 THR 44 5.683 5.241 0.345 356 H LYS 45 H LYS 45 6.300 8.169 -2.409 357 HA LYS 45 HA LYS 45 6.145 9.001 -5.095 358 1HB LYS 45 1HB LYS 45 7.765 9.885 -2.730 359 2HB LYS 45 2HB LYS 45 8.123 10.542 -4.329 360 1HG LYS 45 1HG LYS 45 6.116 11.662 -4.475 361 2HG LYS 45 2HG LYS 45 5.261 10.469 -3.499 362 1HD LYS 45 1HD LYS 45 5.403 11.969 -1.810 363 2HD LYS 45 2HD LYS 45 7.103 11.513 -1.708 364 1HE LYS 45 1HE LYS 45 7.242 13.303 -3.731 365 2HE LYS 45 2HE LYS 45 5.866 13.963 -2.847 366 1HZ LYS 45 1HZ LYS 45 8.461 13.257 -1.593 367 2HZ LYS 45 2HZ LYS 45 8.046 14.824 -2.102 368 3HZ LYS 45 3HZ LYS 45 7.162 14.068 -0.865 369 H ARG 46 H ARG 46 8.976 7.821 -3.273 370 HA ARG 46 HA ARG 46 10.104 6.851 -5.829 371 1HB ARG 46 1HB ARG 46 11.161 8.981 -4.769 372 2HB ARG 46 2HB ARG 46 11.851 7.844 -3.609 373 1HG ARG 46 1HG ARG 46 12.526 6.500 -5.768 374 2HG ARG 46 2HG ARG 46 12.337 8.063 -6.562 375 1HD ARG 46 1HD ARG 46 14.065 7.585 -4.121 376 2HD ARG 46 2HD ARG 46 14.674 7.638 -5.772 377 HE ARG 46 HE ARG 46 13.219 10.000 -5.301 378 1HH1 ARG 46 1HH1 ARG 46 16.151 8.421 -4.220 379 2HH1 ARG 46 2HH1 ARG 46 16.954 9.910 -3.859 380 1HH2 ARG 46 1HH2 ARG 46 14.304 11.918 -4.817 381 2HH2 ARG 46 2HH2 ARG 46 15.919 11.873 -4.193 382 H GLY 47 H GLY 47 8.957 5.901 -2.857 383 1HA GLY 47 1HA GLY 47 9.360 4.128 -1.446 384 2HA GLY 47 2HA GLY 47 10.982 4.014 -2.118 385 H ARG 48 H ARG 48 8.025 2.528 -1.878 386 HA ARG 48 HA ARG 48 8.092 1.135 -4.436 387 1HB ARG 48 1HB ARG 48 9.250 0.012 -1.971 388 2HB ARG 48 2HB ARG 48 8.096 -1.052 -2.768 389 1HG ARG 48 1HG ARG 48 9.333 -0.755 -4.906 390 2HG ARG 48 2HG ARG 48 10.514 0.245 -4.060 391 1HD ARG 48 1HD ARG 48 9.905 -2.457 -2.940 392 2HD ARG 48 2HD ARG 48 10.899 -2.371 -4.391 393 HE ARG 48 HE ARG 48 11.958 -0.531 -2.581 394 1HH1 ARG 48 1HH1 ARG 48 11.442 -3.988 -2.767 395 2HH1 ARG 48 2HH1 ARG 48 12.801 -4.359 -1.762 396 1HH2 ARG 48 1HH2 ARG 48 13.720 -1.059 -1.277 397 2HH2 ARG 48 2HH2 ARG 48 14.081 -2.716 -0.925 398 H GLN 49 H GLN 49 6.543 -1.007 -3.934 399 HA GLN 49 HA GLN 49 3.958 0.178 -3.381 400 1HB GLN 49 1HB GLN 49 4.920 -2.498 -4.355 401 2HB GLN 49 2HB GLN 49 3.257 -2.299 -3.810 402 1HG GLN 49 1HG GLN 49 3.162 -1.849 -6.133 403 2HG GLN 49 2HG GLN 49 3.186 -0.252 -5.383 404 2HE2 GLN 49 2HE2 GLN 49 4.212 0.725 -7.274 405 1HE2 GLN 49 1HE2 GLN 49 5.842 0.424 -7.643 406 H VAL 50 H VAL 50 2.517 -0.508 -1.742 407 HA VAL 50 HA VAL 50 3.720 -2.096 0.450 408 HB VAL 50 HB VAL 50 2.210 0.499 0.737 409 1HG1 VAL 50 1HG1 VAL 50 3.140 -1.572 2.709 410 2HG1 VAL 50 2HG1 VAL 50 3.098 0.125 3.190 411 3HG1 VAL 50 3HG1 VAL 50 1.618 -0.683 2.669 412 1HG2 VAL 50 1HG2 VAL 50 4.677 0.511 -0.018 413 2HG2 VAL 50 2HG2 VAL 50 4.262 1.483 1.393 414 3HG2 VAL 50 3HG2 VAL 50 5.040 -0.085 1.601 415 H CYS 51 H CYS 51 2.463 -3.814 0.769 416 HA CYS 51 HA CYS 51 -0.327 -3.840 -0.002 417 1HB CYS 51 1HB CYS 51 1.198 -5.890 1.633 418 2HB CYS 51 2HB CYS 51 -0.330 -6.134 0.792 419 H ALA 52 H ALA 52 -1.465 -2.382 1.253 420 HA ALA 52 HA ALA 52 -1.354 -2.819 4.184 421 1HB ALA 52 1HB ALA 52 -0.727 -0.508 3.025 422 2HB ALA 52 2HB ALA 52 -2.478 -0.301 3.056 423 3HB ALA 52 3HB ALA 52 -1.594 -0.568 4.558 424 H ASP 53 H ASP 53 -3.269 -2.854 5.346 425 HA ASP 53 HA ASP 53 -5.637 -3.601 3.779 426 1HB ASP 53 1HB ASP 53 -4.637 -4.170 6.511 427 2HB ASP 53 2HB ASP 53 -6.382 -3.965 6.370 428 H LYS 54 H LYS 54 -7.399 -2.346 3.627 429 HA LYS 54 HA LYS 54 -7.354 0.369 4.368 430 1HB LYS 54 1HB LYS 54 -9.802 0.331 3.828 431 2HB LYS 54 2HB LYS 54 -8.786 -0.360 2.562 432 1HG LYS 54 1HG LYS 54 -9.334 -2.597 3.209 433 2HG LYS 54 2HG LYS 54 -10.084 -2.048 4.710 434 1HD LYS 54 1HD LYS 54 -11.572 -0.640 2.973 435 2HD LYS 54 2HD LYS 54 -11.152 -2.000 1.930 436 1HE LYS 54 1HE LYS 54 -12.339 -3.513 3.188 437 2HE LYS 54 2HE LYS 54 -12.033 -2.654 4.698 438 1HZ LYS 54 1HZ LYS 54 -13.553 -0.883 3.803 439 2HZ LYS 54 2HZ LYS 54 -13.994 -1.975 2.584 440 3HZ LYS 54 3HZ LYS 54 -14.299 -2.354 4.212 441 H SER 55 H SER 55 -8.478 -2.486 6.043 442 HA SER 55 HA SER 55 -10.133 -1.302 7.976 443 1HB SER 55 1HB SER 55 -8.669 -3.847 7.708 444 2HB SER 55 2HB SER 55 -9.037 -3.363 9.360 445 HG SER 55 HG SER 55 -10.938 -4.140 8.900 446 H LYS 56 H LYS 56 -6.671 -1.315 7.631 447 HA LYS 56 HA LYS 56 -5.839 -0.881 10.264 448 1HB LYS 56 1HB LYS 56 -4.688 0.291 7.719 449 2HB LYS 56 2HB LYS 56 -3.867 0.227 9.279 450 1HG LYS 56 1HG LYS 56 -4.899 -2.219 7.818 451 2HG LYS 56 2HG LYS 56 -3.234 -1.646 7.719 452 1HD LYS 56 1HD LYS 56 -2.945 -3.063 9.492 453 2HD LYS 56 2HD LYS 56 -3.545 -1.681 10.408 454 1HE LYS 56 1HE LYS 56 -5.053 -3.226 11.176 455 2HE LYS 56 2HE LYS 56 -5.900 -2.795 9.690 456 1HZ LYS 56 1HZ LYS 56 -3.882 -4.955 9.771 457 2HZ LYS 56 2HZ LYS 56 -5.513 -5.245 10.130 458 3HZ LYS 56 3HZ LYS 56 -5.073 -4.666 8.594 459 H ASP 57 H ASP 57 -4.647 1.423 10.673 460 HA ASP 57 HA ASP 57 -6.849 3.394 10.620 461 1HB ASP 57 1HB ASP 57 -4.713 2.758 12.608 462 2HB ASP 57 2HB ASP 57 -5.288 4.422 12.497 463 H TRP 58 H TRP 58 -3.314 3.088 10.325 464 HA TRP 58 HA TRP 58 -2.937 5.801 9.527 465 1HB TRP 58 1HB TRP 58 -0.672 5.094 8.863 466 2HB TRP 58 2HB TRP 58 -1.084 4.542 10.482 467 HD1 TRP 58 HD1 TRP 58 -1.507 1.942 10.837 468 HE1 TRP 58 HE1 TRP 58 -0.792 -0.111 9.453 469 HE3 TRP 58 HE3 TRP 58 -0.304 4.222 6.435 470 HZ2 TRP 58 HZ2 TRP 58 0.168 -0.711 6.810 471 HZ3 TRP 58 HZ3 TRP 58 0.509 2.896 4.507 472 HH2 TRP 58 HH2 TRP 58 0.744 0.440 4.690 473 H VAL 59 H VAL 59 -3.706 2.851 7.831 474 HA VAL 59 HA VAL 59 -3.055 3.807 5.213 475 HB VAL 59 HB VAL 59 -5.023 1.638 5.974 476 1HG1 VAL 59 1HG1 VAL 59 -4.699 2.745 3.538 477 2HG1 VAL 59 2HG1 VAL 59 -3.368 1.588 3.495 478 3HG1 VAL 59 3HG1 VAL 59 -5.019 1.025 3.756 479 1HG2 VAL 59 1HG2 VAL 59 -2.731 1.340 6.958 480 2HG2 VAL 59 2HG2 VAL 59 -3.147 0.098 5.776 481 3HG2 VAL 59 3HG2 VAL 59 -2.067 1.418 5.326 482 H LYS 60 H LYS 60 -5.872 3.924 7.293 483 HA LYS 60 HA LYS 60 -7.754 4.775 5.346 484 1HB LYS 60 1HB LYS 60 -8.227 3.909 7.713 485 2HB LYS 60 2HB LYS 60 -7.836 5.540 8.262 486 1HG LYS 60 1HG LYS 60 -9.535 6.185 6.291 487 2HG LYS 60 2HG LYS 60 -10.171 4.585 6.674 488 1HD LYS 60 1HD LYS 60 -10.456 5.203 9.010 489 2HD LYS 60 2HD LYS 60 -9.688 6.765 8.724 490 1HE LYS 60 1HE LYS 60 -12.072 6.006 7.073 491 2HE LYS 60 2HE LYS 60 -12.325 6.561 8.727 492 1HZ LYS 60 1HZ LYS 60 -10.745 8.453 8.033 493 2HZ LYS 60 2HZ LYS 60 -11.150 8.006 6.445 494 3HZ LYS 60 3HZ LYS 60 -12.362 8.510 7.524 495 H LYS 61 H LYS 61 -5.642 6.526 7.596 496 HA LYS 61 HA LYS 61 -6.532 9.132 6.993 497 1HB LYS 61 1HB LYS 61 -4.051 7.969 8.181 498 2HB LYS 61 2HB LYS 61 -4.005 9.650 7.644 499 1HG LYS 61 1HG LYS 61 -6.144 10.011 8.972 500 2HG LYS 61 2HG LYS 61 -5.881 8.413 9.671 501 1HD LYS 61 1HD LYS 61 -3.703 9.114 10.536 502 2HD LYS 61 2HD LYS 61 -3.885 10.694 9.774 503 1HE LYS 61 1HE LYS 61 -5.818 11.196 11.170 504 2HE LYS 61 2HE LYS 61 -5.769 9.578 11.870 505 1HZ LYS 61 1HZ LYS 61 -3.541 11.530 12.051 506 2HZ LYS 61 2HZ LYS 61 -4.716 11.320 13.259 507 3HZ LYS 61 3HZ LYS 61 -3.673 10.043 12.864 508 H LEU 62 H LEU 62 -3.929 7.167 5.582 509 HA LEU 62 HA LEU 62 -2.956 9.101 3.767 510 1HB LEU 62 1HB LEU 62 -3.054 6.106 3.436 511 2HB LEU 62 2HB LEU 62 -2.075 7.205 2.494 512 HG LEU 62 HG LEU 62 -1.760 6.989 5.479 513 1HD1 LEU 62 1HD1 LEU 62 -0.723 5.225 3.275 514 2HD1 LEU 62 2HD1 LEU 62 0.235 5.478 4.733 515 3HD1 LEU 62 3HD1 LEU 62 -1.371 4.765 4.848 516 1HD2 LEU 62 1HD2 LEU 62 -0.316 8.211 3.171 517 2HD2 LEU 62 2HD2 LEU 62 -0.498 8.806 4.822 518 3HD2 LEU 62 3HD2 LEU 62 0.673 7.535 4.466 519 H MET 63 H MET 63 -5.411 6.583 3.460 520 HA MET 63 HA MET 63 -6.105 6.807 0.789 521 1HB MET 63 1HB MET 63 -7.678 6.134 3.251 522 2HB MET 63 2HB MET 63 -8.507 6.288 1.702 523 1HG MET 63 1HG MET 63 -6.490 4.751 0.882 524 2HG MET 63 2HG MET 63 -6.484 4.270 2.577 525 1HE MET 63 1HE MET 63 -7.003 3.276 -0.341 526 2HE MET 63 2HE MET 63 -7.512 1.744 0.378 527 3HE MET 63 3HE MET 63 -8.600 2.622 -0.692 528 H GLN 64 H GLN 64 -6.970 8.898 3.478 529 HA GLN 64 HA GLN 64 -8.769 10.503 1.836 530 1HB GLN 64 1HB GLN 64 -7.868 10.644 4.710 531 2HB GLN 64 2HB GLN 64 -8.778 11.956 3.961 532 1HG GLN 64 1HG GLN 64 -10.403 10.044 3.206 533 2HG GLN 64 2HG GLN 64 -9.645 9.131 4.512 534 2HE2 GLN 64 2HE2 GLN 64 -9.896 9.972 6.727 535 1HE2 GLN 64 1HE2 GLN 64 -11.128 11.080 7.095 536 H GLN 65 H GLN 65 -5.486 10.572 3.047 537 HA GLN 65 HA GLN 65 -4.984 13.330 2.447 538 1HB GLN 65 1HB GLN 65 -3.324 10.971 3.226 539 2HB GLN 65 2HB GLN 65 -2.521 12.378 2.537 540 1HG GLN 65 1HG GLN 65 -4.190 13.585 4.322 541 2HG GLN 65 2HG GLN 65 -3.867 12.064 5.156 542 2HE2 GLN 65 2HE2 GLN 65 -1.886 14.357 3.181 543 1HE2 GLN 65 1HE2 GLN 65 -0.604 14.422 4.291 544 H LEU 66 H LEU 66 -4.697 10.296 0.704 545 HA LEU 66 HA LEU 66 -3.712 11.797 -1.654 546 1HB LEU 66 1HB LEU 66 -3.429 8.833 -1.338 547 2HB LEU 66 2HB LEU 66 -2.529 9.919 -2.375 548 HG LEU 66 HG LEU 66 -2.290 9.920 0.639 549 1HD1 LEU 66 1HD1 LEU 66 -1.562 7.809 -0.878 550 2HD1 LEU 66 2HD1 LEU 66 -0.133 8.821 -1.091 551 3HD1 LEU 66 3HD1 LEU 66 -0.636 8.334 0.529 552 1HD2 LEU 66 1HD2 LEU 66 -1.036 11.376 -1.640 553 2HD2 LEU 66 2HD2 LEU 66 -1.368 11.931 0.001 554 3HD2 LEU 66 3HD2 LEU 66 0.029 10.901 -0.317 555 HA PRO 67 HA PRO 67 -7.476 10.524 -3.568 556 1HB PRO 67 1HB PRO 67 -6.774 10.699 -6.210 557 2HB PRO 67 2HB PRO 67 -7.091 12.101 -5.177 558 1HG PRO 67 1HG PRO 67 -4.505 11.040 -6.169 559 2HG PRO 67 2HG PRO 67 -4.951 12.695 -5.728 560 1HD PRO 67 1HD PRO 67 -3.454 10.897 -4.140 561 2HD PRO 67 2HD PRO 67 -4.183 12.424 -3.590 562 H VAL 68 H VAL 68 -5.370 9.204 -6.100 563 HA VAL 68 HA VAL 68 -5.139 6.576 -5.251 564 HB VAL 68 HB VAL 68 -7.829 7.082 -5.653 565 1HG1 VAL 68 1HG1 VAL 68 -7.399 7.215 -8.149 566 2HG1 VAL 68 2HG1 VAL 68 -6.969 5.505 -8.083 567 3HG1 VAL 68 3HG1 VAL 68 -8.598 6.023 -7.647 568 1HG2 VAL 68 1HG2 VAL 68 -6.372 5.087 -4.672 569 2HG2 VAL 68 2HG2 VAL 68 -8.077 4.876 -5.070 570 3HG2 VAL 68 3HG2 VAL 68 -6.835 4.325 -6.195 571 H THR 69 H THR 69 -3.976 5.364 -6.713 572 HA THR 69 HA THR 69 -2.396 5.137 -8.347 573 HB THR 69 HB THR 69 -3.367 4.856 -10.501 574 HG1 THR 69 HG1 THR 69 -4.883 6.129 -11.136 575 1HG2 THR 69 1HG2 THR 69 -4.957 3.998 -8.132 576 2HG2 THR 69 2HG2 THR 69 -5.591 3.657 -9.740 577 3HG2 THR 69 3HG2 THR 69 -4.017 3.024 -9.261 578 H ALA 70 H ALA 70 -0.922 6.782 -8.124 579 HA ALA 70 HA ALA 70 -1.292 9.466 -8.884 580 1HB ALA 70 1HB ALA 70 0.929 9.755 -8.388 581 2HB ALA 70 2HB ALA 70 1.413 8.261 -9.189 582 3HB ALA 70 3HB ALA 70 0.677 8.205 -7.588 583 H ARG 71 H ARG 71 -0.383 6.620 -10.715 584 HA ARG 71 HA ARG 71 -0.988 7.908 -13.205 585 1HB ARG 71 1HB ARG 71 1.511 8.518 -12.443 586 2HB ARG 71 2HB ARG 71 1.829 6.950 -13.187 587 1HG ARG 71 1HG ARG 71 0.095 8.902 -14.654 588 2HG ARG 71 2HG ARG 71 1.840 9.159 -14.651 589 1HD ARG 71 1HD ARG 71 2.262 7.269 -15.886 590 2HD ARG 71 2HD ARG 71 0.891 6.396 -15.211 591 HE ARG 71 HE ARG 71 0.082 8.582 -16.902 592 1HH1 ARG 71 1HH1 ARG 71 1.159 5.251 -16.876 593 2HH1 ARG 71 2HH1 ARG 71 0.406 4.878 -18.389 594 1HH2 ARG 71 1HH2 ARG 71 -0.884 8.054 -18.870 595 2HH2 ARG 71 2HH2 ARG 71 -0.741 6.449 -19.509 No H/Q in entry = 595 Start of MODEL 35 1 H1 LEU 1 H1 LEU 1 -4.182 6.295 -21.872 2 H2 LEU 1 H2 LEU 1 -4.605 6.453 -23.508 3 H3 LEU 1 H3 LEU 1 -4.996 5.030 -22.663 4 HA LEU 1 HA LEU 1 -3.132 4.524 -24.003 5 1HB LEU 1 1HB LEU 1 -1.030 5.889 -23.738 6 2HB LEU 1 2HB LEU 1 -2.361 6.767 -24.492 7 HG LEU 1 HG LEU 1 -2.210 6.912 -21.527 8 1HD1 LEU 1 1HD1 LEU 1 -0.076 7.915 -23.371 9 2HD1 LEU 1 2HD1 LEU 1 -0.565 8.945 -22.026 10 3HD1 LEU 1 3HD1 LEU 1 0.061 7.326 -21.713 11 1HD2 LEU 1 1HD2 LEU 1 -2.795 8.812 -23.813 12 2HD2 LEU 1 2HD2 LEU 1 -3.938 8.148 -22.646 13 3HD2 LEU 1 3HD2 LEU 1 -2.737 9.331 -22.128 14 H GLY 2 H GLY 2 -3.804 2.998 -22.213 15 1HA GLY 2 1HA GLY 2 -3.421 1.973 -20.113 16 2HA GLY 2 2HA GLY 2 -2.054 3.054 -19.859 17 H ALA 3 H ALA 3 -0.494 1.545 -19.440 18 HA ALA 3 HA ALA 3 0.098 -0.384 -21.607 19 1HB ALA 3 1HB ALA 3 1.783 1.369 -21.598 20 2HB ALA 3 2HB ALA 3 2.495 -0.124 -20.984 21 3HB ALA 3 3HB ALA 3 2.034 1.160 -19.865 22 H SER 4 H SER 4 1.885 -1.990 -20.605 23 HA SER 4 HA SER 4 0.974 -2.872 -17.943 24 1HB SER 4 1HB SER 4 -0.196 -4.122 -19.861 25 2HB SER 4 2HB SER 4 1.380 -4.832 -20.198 26 HG SER 4 HG SER 4 -0.329 -5.169 -18.017 27 H TRP 5 H TRP 5 2.411 -5.073 -17.561 28 HA TRP 5 HA TRP 5 5.172 -4.660 -18.409 29 1HB TRP 5 1HB TRP 5 4.933 -4.957 -15.463 30 2HB TRP 5 2HB TRP 5 6.121 -4.072 -16.412 31 HD1 TRP 5 HD1 TRP 5 5.932 -1.544 -16.236 32 HE1 TRP 5 HE1 TRP 5 4.068 0.133 -15.629 33 HE3 TRP 5 HE3 TRP 5 2.021 -4.767 -15.614 34 HZ2 TRP 5 HZ2 TRP 5 1.282 0.108 -14.967 35 HZ3 TRP 5 HZ3 TRP 5 -0.224 -3.916 -14.995 36 HH2 TRP 5 HH2 TRP 5 -0.598 -1.486 -14.672 37 H HIS 6 H HIS 6 3.502 -6.313 -15.749 38 HA HIS 6 HA HIS 6 3.472 -8.876 -16.895 39 1HB HIS 6 1HB HIS 6 6.023 -8.085 -15.638 40 2HB HIS 6 2HB HIS 6 5.368 -9.612 -15.048 41 HD1 HIS 6 HD1 HIS 6 7.432 -8.324 -17.670 42 HD2 HIS 6 HD2 HIS 6 4.550 -11.329 -17.457 43 HE1 HIS 6 HE1 HIS 6 7.811 -9.824 -19.676 44 H ARG 7 H ARG 7 1.865 -9.806 -15.840 45 HA ARG 7 HA ARG 7 0.412 -10.425 -14.170 46 1HB ARG 7 1HB ARG 7 2.804 -9.847 -12.401 47 2HB ARG 7 2HB ARG 7 1.347 -10.704 -11.898 48 1HG ARG 7 1HG ARG 7 2.760 -11.676 -14.345 49 2HG ARG 7 2HG ARG 7 3.489 -12.024 -12.777 50 1HD ARG 7 1HD ARG 7 0.570 -12.564 -13.292 51 2HD ARG 7 2HD ARG 7 1.803 -13.741 -13.732 52 HE ARG 7 HE ARG 7 2.282 -13.019 -11.077 53 1HH1 ARG 7 1HH1 ARG 7 -0.253 -14.555 -12.939 54 2HH1 ARG 7 2HH1 ARG 7 -0.802 -15.517 -11.612 55 1HH2 ARG 7 1HH2 ARG 7 1.534 -14.292 -9.372 56 2HH2 ARG 7 2HH2 ARG 7 0.199 -15.371 -9.608 57 HA PRO 8 HA PRO 8 -0.475 -6.036 -13.072 58 1HB PRO 8 1HB PRO 8 -2.897 -5.887 -14.326 59 2HB PRO 8 2HB PRO 8 -1.354 -5.562 -15.129 60 1HG PRO 8 1HG PRO 8 -3.152 -7.893 -15.395 61 2HG PRO 8 2HG PRO 8 -1.959 -7.254 -16.535 62 1HD PRO 8 1HD PRO 8 -1.646 -9.513 -14.822 63 2HD PRO 8 2HD PRO 8 -0.390 -8.750 -15.824 64 H ASP 9 H ASP 9 -0.642 -7.507 -11.004 65 HA ASP 9 HA ASP 9 -3.044 -6.876 -9.667 66 1HB ASP 9 1HB ASP 9 -3.679 -8.891 -11.234 67 2HB ASP 9 2HB ASP 9 -2.849 -9.847 -10.005 68 H LYS 10 H LYS 10 -3.143 -7.917 -7.481 69 HA LYS 10 HA LYS 10 -1.001 -9.402 -6.407 70 1HB LYS 10 1HB LYS 10 0.249 -7.295 -6.940 71 2HB LYS 10 2HB LYS 10 -0.803 -6.442 -5.810 72 1HG LYS 10 1HG LYS 10 -0.095 -8.030 -4.017 73 2HG LYS 10 2HG LYS 10 1.035 -8.765 -5.155 74 1HD LYS 10 1HD LYS 10 1.902 -6.321 -5.486 75 2HD LYS 10 2HD LYS 10 1.100 -6.011 -3.944 76 1HE LYS 10 1HE LYS 10 2.447 -7.613 -2.805 77 2HE LYS 10 2HE LYS 10 3.035 -8.303 -4.318 78 1HZ LYS 10 1HZ LYS 10 4.128 -6.183 -4.792 79 2HZ LYS 10 2HZ LYS 10 3.609 -5.575 -3.298 80 3HZ LYS 10 3HZ LYS 10 4.698 -6.876 -3.350 81 H CYS 11 H CYS 11 -2.592 -10.432 -5.280 82 HA CYS 11 HA CYS 11 -4.656 -9.193 -3.811 83 1HB CYS 11 1HB CYS 11 -3.367 -11.882 -3.303 84 2HB CYS 11 2HB CYS 11 -4.952 -11.359 -2.741 85 H CYS 12 H CYS 12 -1.300 -9.776 -3.073 86 HA CYS 12 HA CYS 12 0.001 -9.222 -1.265 87 1HB CYS 12 1HB CYS 12 -2.382 -7.443 -0.739 88 2HB CYS 12 2HB CYS 12 -0.976 -7.473 0.322 89 H LEU 13 H LEU 13 -0.131 -11.389 -0.502 90 HA LEU 13 HA LEU 13 -2.147 -12.415 1.168 91 1HB LEU 13 1HB LEU 13 0.796 -13.073 1.227 92 2HB LEU 13 2HB LEU 13 -0.491 -14.049 1.899 93 HG LEU 13 HG LEU 13 -0.405 -13.390 -1.040 94 1HD1 LEU 13 1HD1 LEU 13 0.966 -15.665 0.425 95 2HD1 LEU 13 2HD1 LEU 13 0.727 -15.607 -1.321 96 3HD1 LEU 13 3HD1 LEU 13 1.748 -14.406 -0.531 97 1HD2 LEU 13 1HD2 LEU 13 -2.447 -14.381 0.175 98 2HD2 LEU 13 2HD2 LEU 13 -1.863 -15.262 -1.236 99 3HD2 LEU 13 3HD2 LEU 13 -1.472 -15.835 0.386 100 H GLY 14 H GLY 14 0.644 -10.407 1.832 101 1HA GLY 14 1HA GLY 14 1.507 -10.093 4.125 102 2HA GLY 14 2HA GLY 14 -0.156 -10.281 4.682 103 H TYR 15 H TYR 15 1.426 -8.043 5.309 104 HA TYR 15 HA TYR 15 0.679 -5.873 3.525 105 1HB TYR 15 1HB TYR 15 -0.537 -6.130 6.286 106 2HB TYR 15 2HB TYR 15 -0.565 -4.655 5.320 107 HD1 TYR 15 HD1 TYR 15 -1.805 -4.572 3.186 108 HD2 TYR 15 HD2 TYR 15 -1.931 -8.028 5.723 109 HE1 TYR 15 HE1 TYR 15 -3.781 -5.399 1.947 110 HE2 TYR 15 HE2 TYR 15 -3.912 -8.863 4.485 111 HH TYR 15 HH TYR 15 -4.767 -8.050 1.628 112 H GLN 16 H GLN 16 1.247 -3.705 4.684 113 HA GLN 16 HA GLN 16 3.980 -3.605 5.156 114 1HB GLN 16 1HB GLN 16 2.574 -1.611 4.665 115 2HB GLN 16 2HB GLN 16 1.924 -1.695 6.297 116 1HG GLN 16 1HG GLN 16 3.740 -0.055 6.214 117 2HG GLN 16 2HG GLN 16 4.229 -1.431 7.199 118 2HE2 GLN 16 2HE2 GLN 16 5.734 -3.018 6.183 119 1HE2 GLN 16 1HE2 GLN 16 6.722 -2.532 4.891 120 H LYS 17 H LYS 17 1.373 -3.614 7.556 121 HA LYS 17 HA LYS 17 1.305 -4.573 9.668 122 1HB LYS 17 1HB LYS 17 3.342 -6.005 8.878 123 2HB LYS 17 2HB LYS 17 4.289 -4.847 9.815 124 1HG LYS 17 1HG LYS 17 3.197 -5.410 11.835 125 2HG LYS 17 2HG LYS 17 1.862 -6.200 10.993 126 1HD LYS 17 1HD LYS 17 3.221 -8.057 10.368 127 2HD LYS 17 2HD LYS 17 4.706 -7.212 10.809 128 1HE LYS 17 1HE LYS 17 4.051 -8.880 12.527 129 2HE LYS 17 2HE LYS 17 4.046 -7.238 13.173 130 1HZ LYS 17 1HZ LYS 17 1.622 -8.554 12.091 131 2HZ LYS 17 2HZ LYS 17 2.055 -8.629 13.729 132 3HZ LYS 17 3HZ LYS 17 1.711 -7.128 13.011 133 H ARG 18 H ARG 18 3.966 -2.338 8.953 134 HA ARG 18 HA ARG 18 3.422 -0.979 11.514 135 1HB ARG 18 1HB ARG 18 5.875 -1.301 9.844 136 2HB ARG 18 2HB ARG 18 5.683 0.198 10.753 137 1HG ARG 18 1HG ARG 18 5.130 -1.320 12.771 138 2HG ARG 18 2HG ARG 18 5.822 -2.625 11.806 139 1HD ARG 18 1HD ARG 18 7.940 -1.498 11.658 140 2HD ARG 18 2HD ARG 18 7.271 -0.028 12.357 141 HE ARG 18 HE ARG 18 6.957 -2.206 14.162 142 1HH1 ARG 18 1HH1 ARG 18 9.376 -0.041 12.854 143 2HH1 ARG 18 2HH1 ARG 18 10.389 -0.146 14.252 144 1HH2 ARG 18 1HH2 ARG 18 8.307 -2.314 15.965 145 2HH2 ARG 18 2HH2 ARG 18 9.790 -1.420 15.999 146 HA PRO 19 HA PRO 19 1.910 2.435 9.146 147 1HB PRO 19 1HB PRO 19 2.166 4.438 10.985 148 2HB PRO 19 2HB PRO 19 0.941 3.163 11.079 149 1HG PRO 19 1HG PRO 19 3.360 3.549 12.715 150 2HG PRO 19 2HG PRO 19 1.889 2.636 13.078 151 1HD PRO 19 1HD PRO 19 4.415 1.589 12.205 152 2HD PRO 19 2HD PRO 19 2.904 0.688 12.479 153 H LEU 20 H LEU 20 2.708 3.725 7.596 154 HA LEU 20 HA LEU 20 5.439 4.814 7.938 155 1HB LEU 20 1HB LEU 20 4.308 4.787 5.220 156 2HB LEU 20 2HB LEU 20 5.913 4.368 5.774 157 HG LEU 20 HG LEU 20 3.463 2.594 5.776 158 1HD1 LEU 20 1HD1 LEU 20 5.067 3.143 3.697 159 2HD1 LEU 20 2HD1 LEU 20 6.057 1.907 4.472 160 3HD1 LEU 20 3HD1 LEU 20 4.410 1.528 3.967 161 1HD2 LEU 20 1HD2 LEU 20 6.096 2.403 7.167 162 2HD2 LEU 20 2HD2 LEU 20 4.522 1.780 7.655 163 3HD2 LEU 20 3HD2 LEU 20 5.463 0.932 6.429 164 HA PRO 21 HA PRO 21 3.659 8.847 7.535 165 1HB PRO 21 1HB PRO 21 5.817 10.265 6.630 166 2HB PRO 21 2HB PRO 21 5.660 9.666 8.291 167 1HG PRO 21 1HG PRO 21 7.390 8.683 6.104 168 2HG PRO 21 2HG PRO 21 7.598 8.544 7.855 169 1HD PRO 21 1HD PRO 21 6.659 6.518 6.083 170 2HD PRO 21 2HD PRO 21 6.677 6.455 7.861 171 H GLN 22 H GLN 22 2.506 10.005 6.054 172 HA GLN 22 HA GLN 22 2.472 9.169 3.316 173 1HB GLN 22 1HB GLN 22 0.477 10.009 4.608 174 2HB GLN 22 2HB GLN 22 1.162 11.629 4.485 175 1HG GLN 22 1HG GLN 22 1.031 10.129 1.934 176 2HG GLN 22 2HG GLN 22 -0.531 10.550 2.634 177 2HE2 GLN 22 2HE2 GLN 22 1.346 11.704 0.330 178 1HE2 GLN 22 1HE2 GLN 22 1.236 13.377 0.597 179 H VAL 23 H VAL 23 4.502 11.312 4.966 180 HA VAL 23 HA VAL 23 4.825 13.476 3.284 181 HB VAL 23 HB VAL 23 5.927 13.226 5.482 182 1HG1 VAL 23 1HG1 VAL 23 6.601 10.777 4.907 183 2HG1 VAL 23 2HG1 VAL 23 8.012 11.513 4.149 184 3HG1 VAL 23 3HG1 VAL 23 7.710 11.751 5.869 185 1HG2 VAL 23 1HG2 VAL 23 6.803 14.680 3.461 186 2HG2 VAL 23 2HG2 VAL 23 7.768 14.526 4.930 187 3HG2 VAL 23 3HG2 VAL 23 8.159 13.553 3.512 188 H LEU 24 H LEU 24 6.303 10.276 3.032 189 HA LEU 24 HA LEU 24 7.611 11.024 0.528 190 1HB LEU 24 1HB LEU 24 9.039 9.327 0.906 191 2HB LEU 24 2HB LEU 24 8.440 9.429 2.542 192 HG LEU 24 HG LEU 24 7.456 7.472 0.444 193 1HD1 LEU 24 1HD1 LEU 24 9.830 7.175 1.287 194 2HD1 LEU 24 2HD1 LEU 24 9.141 6.921 2.890 195 3HD1 LEU 24 3HD1 LEU 24 8.749 5.812 1.577 196 1HD2 LEU 24 1HD2 LEU 24 6.379 8.320 2.989 197 2HD2 LEU 24 2HD2 LEU 24 5.720 7.152 1.848 198 3HD2 LEU 24 3HD2 LEU 24 6.856 6.628 3.088 199 H LEU 25 H LEU 25 4.926 9.152 1.728 200 HA LEU 25 HA LEU 25 4.388 7.538 -0.470 201 1HB LEU 25 1HB LEU 25 3.221 7.844 1.911 202 2HB LEU 25 2HB LEU 25 2.079 8.741 0.936 203 HG LEU 25 HG LEU 25 1.613 6.784 -0.415 204 1HD1 LEU 25 1HD1 LEU 25 4.052 5.777 0.962 205 2HD1 LEU 25 2HD1 LEU 25 2.773 4.600 0.664 206 3HD1 LEU 25 3HD1 LEU 25 3.488 5.485 -0.683 207 1HD2 LEU 25 1HD2 LEU 25 1.468 6.656 2.557 208 2HD2 LEU 25 2HD2 LEU 25 0.168 6.624 1.366 209 3HD2 LEU 25 3HD2 LEU 25 1.109 5.166 1.683 210 H SER 26 H SER 26 3.046 7.697 -2.235 211 HA SER 26 HA SER 26 2.530 10.467 -3.146 212 1HB SER 26 1HB SER 26 4.141 8.728 -4.387 213 2HB SER 26 2HB SER 26 2.611 8.223 -5.099 214 HG SER 26 HG SER 26 4.039 10.194 -5.890 215 H SER 27 H SER 27 1.326 7.200 -3.962 216 HA SER 27 HA SER 27 -1.415 8.039 -3.371 217 1HB SER 27 1HB SER 27 -2.276 7.635 -5.557 218 2HB SER 27 2HB SER 27 -0.884 8.690 -5.776 219 HG SER 27 HG SER 27 -1.159 5.934 -6.286 220 H TRP 28 H TRP 28 -2.738 5.936 -4.621 221 HA TRP 28 HA TRP 28 -1.447 3.433 -3.850 222 1HB TRP 28 1HB TRP 28 -3.394 2.799 -2.386 223 2HB TRP 28 2HB TRP 28 -2.371 4.068 -1.711 224 HD1 TRP 28 HD1 TRP 28 -3.298 6.584 -1.816 225 HE1 TRP 28 HE1 TRP 28 -5.704 7.504 -1.919 226 HE3 TRP 28 HE3 TRP 28 -5.802 2.363 -3.258 227 HZ2 TRP 28 HZ2 TRP 28 -8.337 6.571 -2.541 228 HZ3 TRP 28 HZ3 TRP 28 -8.251 2.414 -3.603 229 HH2 TRP 28 HH2 TRP 28 -9.522 4.511 -3.243 230 H TYR 29 H TYR 29 -2.471 1.596 -4.717 231 HA TYR 29 HA TYR 29 -4.744 2.172 -6.514 232 1HB TYR 29 1HB TYR 29 -3.828 0.912 -8.289 233 2HB TYR 29 2HB TYR 29 -2.498 1.906 -7.715 234 HD1 TYR 29 HD1 TYR 29 -3.960 -1.511 -7.617 235 HD2 TYR 29 HD2 TYR 29 -0.505 0.913 -6.817 236 HE1 TYR 29 HE1 TYR 29 -2.603 -3.557 -7.280 237 HE2 TYR 29 HE2 TYR 29 0.850 -1.136 -6.478 238 HH TYR 29 HH TYR 29 0.712 -3.582 -7.274 239 HA PRO 30 HA PRO 30 -6.488 -1.303 -4.378 240 1HB PRO 30 1HB PRO 30 -8.699 -1.680 -5.939 241 2HB PRO 30 2HB PRO 30 -8.529 -0.353 -4.780 242 1HG PRO 30 1HG PRO 30 -8.414 -0.291 -7.734 243 2HG PRO 30 2HG PRO 30 -8.830 0.997 -6.594 244 1HD PRO 30 1HD PRO 30 -6.344 0.654 -7.941 245 2HD PRO 30 2HD PRO 30 -6.703 1.816 -6.643 246 H THR 31 H THR 31 -6.607 -3.544 -4.487 247 HA THR 31 HA THR 31 -5.485 -4.761 -6.917 248 HB THR 31 HB THR 31 -4.321 -5.291 -4.845 249 HG1 THR 31 HG1 THR 31 -4.472 -6.957 -6.346 250 1HG2 THR 31 1HG2 THR 31 -7.083 -5.666 -3.882 251 2HG2 THR 31 2HG2 THR 31 -5.943 -6.899 -3.342 252 3HG2 THR 31 3HG2 THR 31 -5.632 -5.199 -2.996 253 H SER 32 H SER 32 -6.322 -7.199 -7.062 254 HA SER 32 HA SER 32 -8.949 -7.078 -8.063 255 1HB SER 32 1HB SER 32 -6.900 -8.894 -8.223 256 2HB SER 32 2HB SER 32 -8.062 -9.754 -7.216 257 HG SER 32 HG SER 32 -8.416 -8.649 -9.801 258 H GLN 33 H GLN 33 -10.913 -7.508 -7.217 259 HA GLN 33 HA GLN 33 -11.065 -7.829 -4.308 260 1HB GLN 33 1HB GLN 33 -12.894 -6.804 -6.429 261 2HB GLN 33 2HB GLN 33 -13.623 -7.501 -4.982 262 1HG GLN 33 1HG GLN 33 -11.814 -5.985 -3.759 263 2HG GLN 33 2HG GLN 33 -11.919 -5.058 -5.255 264 2HE2 GLN 33 2HE2 GLN 33 -13.497 -5.707 -2.252 265 1HE2 GLN 33 1HE2 GLN 33 -14.919 -4.834 -2.564 266 H LEU 34 H LEU 34 -10.188 -10.133 -5.448 267 HA LEU 34 HA LEU 34 -12.389 -11.943 -4.844 268 1HB LEU 34 1HB LEU 34 -11.736 -13.347 -6.890 269 2HB LEU 34 2HB LEU 34 -12.801 -11.982 -7.118 270 HG LEU 34 HG LEU 34 -11.033 -12.290 -8.884 271 1HD1 LEU 34 1HD1 LEU 34 -12.127 -10.013 -7.876 272 2HD1 LEU 34 2HD1 LEU 34 -10.410 -9.656 -7.690 273 3HD1 LEU 34 3HD1 LEU 34 -11.061 -10.050 -9.280 274 1HD2 LEU 34 1HD2 LEU 34 -9.206 -11.378 -6.638 275 2HD2 LEU 34 2HD2 LEU 34 -9.189 -12.970 -7.394 276 3HD2 LEU 34 3HD2 LEU 34 -8.743 -11.544 -8.332 277 H CYS 35 H CYS 35 -9.904 -11.195 -3.566 278 HA CYS 35 HA CYS 35 -8.407 -13.742 -3.750 279 1HB CYS 35 1HB CYS 35 -7.446 -11.122 -2.576 280 2HB CYS 35 2HB CYS 35 -6.489 -12.580 -2.839 281 H SER 36 H SER 36 -7.495 -14.520 -1.681 282 HA SER 36 HA SER 36 -9.533 -14.707 0.312 283 1HB SER 36 1HB SER 36 -7.927 -16.069 1.548 284 2HB SER 36 2HB SER 36 -7.926 -16.540 -0.150 285 HG SER 36 HG SER 36 -6.028 -15.479 -0.441 286 H LYS 37 H LYS 37 -6.595 -12.834 -0.059 287 HA LYS 37 HA LYS 37 -7.300 -11.333 2.389 288 1HB LYS 37 1HB LYS 37 -5.294 -12.868 2.691 289 2HB LYS 37 2HB LYS 37 -4.461 -11.869 1.501 290 1HG LYS 37 1HG LYS 37 -3.847 -10.591 3.269 291 2HG LYS 37 2HG LYS 37 -5.497 -9.972 3.213 292 1HD LYS 37 1HD LYS 37 -6.122 -11.104 5.091 293 2HD LYS 37 2HD LYS 37 -5.188 -12.536 4.657 294 1HE LYS 37 1HE LYS 37 -3.117 -11.010 5.183 295 2HE LYS 37 2HE LYS 37 -4.287 -10.057 6.096 296 1HZ LYS 37 1HZ LYS 37 -4.948 -12.325 7.080 297 2HZ LYS 37 2HZ LYS 37 -3.428 -12.842 6.524 298 3HZ LYS 37 3HZ LYS 37 -3.539 -11.570 7.645 299 HA PRO 38 HA PRO 38 -6.751 -8.504 -1.240 300 1HB PRO 38 1HB PRO 38 -9.203 -7.310 -1.117 301 2HB PRO 38 2HB PRO 38 -8.877 -8.798 -2.017 302 1HG PRO 38 1HG PRO 38 -10.335 -8.429 0.528 303 2HG PRO 38 2HG PRO 38 -10.473 -9.720 -0.674 304 1HD PRO 38 1HD PRO 38 -9.082 -9.845 1.809 305 2HD PRO 38 2HD PRO 38 -9.055 -11.059 0.509 306 H GLY 39 H GLY 39 -6.645 -6.169 -1.315 307 1HA GLY 39 1HA GLY 39 -5.607 -4.942 0.974 308 2HA GLY 39 2HA GLY 39 -7.299 -4.463 0.848 309 H VAL 40 H VAL 40 -4.511 -3.154 0.364 310 HA VAL 40 HA VAL 40 -4.724 -2.330 -2.420 311 HB VAL 40 HB VAL 40 -5.031 -0.267 -0.222 312 1HG1 VAL 40 1HG1 VAL 40 -3.912 0.104 -2.650 313 2HG1 VAL 40 2HG1 VAL 40 -5.610 0.316 -3.071 314 3HG1 VAL 40 3HG1 VAL 40 -4.872 1.334 -1.835 315 1HG2 VAL 40 1HG2 VAL 40 -7.022 -1.455 -2.165 316 2HG2 VAL 40 2HG2 VAL 40 -7.103 -1.482 -0.403 317 3HG2 VAL 40 3HG2 VAL 40 -7.306 0.039 -1.272 318 H ILE 41 H ILE 41 -2.822 -1.678 -3.230 319 HA ILE 41 HA ILE 41 -0.512 -1.712 -1.422 320 HB ILE 41 HB ILE 41 -0.780 -1.920 -4.428 321 1HG1 ILE 41 1HG1 ILE 41 0.449 -4.121 -3.823 322 2HG1 ILE 41 2HG1 ILE 41 -0.059 -3.775 -2.171 323 1HG2 ILE 41 1HG2 ILE 41 1.625 -1.393 -2.722 324 2HG2 ILE 41 2HG2 ILE 41 1.798 -2.506 -4.078 325 3HG2 ILE 41 3HG2 ILE 41 1.275 -0.844 -4.363 326 1HD1 ILE 41 1HD1 ILE 41 -2.125 -3.572 -4.315 327 2HD1 ILE 41 2HD1 ILE 41 -1.600 -5.187 -3.838 328 3HD1 ILE 41 3HD1 ILE 41 -2.294 -4.096 -2.639 329 H PHE 42 H PHE 42 0.905 0.006 -1.250 330 HA PHE 42 HA PHE 42 -0.144 2.588 -2.227 331 1HB PHE 42 1HB PHE 42 1.418 1.763 0.189 332 2HB PHE 42 2HB PHE 42 1.617 3.400 -0.435 333 HD1 PHE 42 HD1 PHE 42 -0.785 0.976 0.984 334 HD2 PHE 42 HD2 PHE 42 -0.173 5.018 -0.330 335 HE1 PHE 42 HE1 PHE 42 -2.914 1.649 2.062 336 HE2 PHE 42 HE2 PHE 42 -2.301 5.692 0.749 337 HZ PHE 42 HZ PHE 42 -3.668 4.008 1.950 338 H LEU 43 H LEU 43 0.964 3.720 -3.681 339 HA LEU 43 HA LEU 43 3.671 2.801 -4.409 340 1HB LEU 43 1HB LEU 43 1.438 4.093 -5.871 341 2HB LEU 43 2HB LEU 43 3.053 4.590 -6.330 342 HG LEU 43 HG LEU 43 3.634 2.294 -6.897 343 1HD1 LEU 43 1HD1 LEU 43 0.919 1.744 -5.710 344 2HD1 LEU 43 2HD1 LEU 43 1.635 0.638 -6.882 345 3HD1 LEU 43 3HD1 LEU 43 2.455 0.958 -5.353 346 1HD2 LEU 43 1HD2 LEU 43 2.455 3.726 -8.573 347 2HD2 LEU 43 2HD2 LEU 43 2.130 2.008 -8.804 348 3HD2 LEU 43 3HD2 LEU 43 0.922 3.040 -8.038 349 H THR 44 H THR 44 5.017 3.848 -2.986 350 HA THR 44 HA THR 44 4.644 6.507 -2.093 351 HB THR 44 HB THR 44 6.959 6.375 -1.315 352 HG1 THR 44 HG1 THR 44 7.011 4.012 -2.880 353 1HG2 THR 44 1HG2 THR 44 5.005 4.201 -0.897 354 2HG2 THR 44 2HG2 THR 44 6.656 3.815 -0.415 355 3HG2 THR 44 3HG2 THR 44 5.838 5.211 0.284 356 H LYS 45 H LYS 45 6.247 8.285 -2.540 357 HA LYS 45 HA LYS 45 6.096 9.088 -5.224 358 1HB LYS 45 1HB LYS 45 7.795 10.033 -2.919 359 2HB LYS 45 2HB LYS 45 7.896 10.775 -4.517 360 1HG LYS 45 1HG LYS 45 5.766 11.664 -4.395 361 2HG LYS 45 2HG LYS 45 5.181 10.388 -3.327 362 1HD LYS 45 1HD LYS 45 5.353 12.029 -1.741 363 2HD LYS 45 2HD LYS 45 7.040 11.516 -1.713 364 1HE LYS 45 1HE LYS 45 7.236 13.832 -2.001 365 2HE LYS 45 2HE LYS 45 7.329 13.242 -3.660 366 1HZ LYS 45 1HZ LYS 45 4.749 13.989 -2.428 367 2HZ LYS 45 2HZ LYS 45 5.740 15.149 -3.178 368 3HZ LYS 45 3HZ LYS 45 5.134 13.844 -4.077 369 H ARG 46 H ARG 46 8.969 8.024 -3.392 370 HA ARG 46 HA ARG 46 10.138 7.091 -5.943 371 1HB ARG 46 1HB ARG 46 11.078 9.295 -4.930 372 2HB ARG 46 2HB ARG 46 11.839 8.221 -3.754 373 1HG ARG 46 1HG ARG 46 12.860 6.935 -5.610 374 2HG ARG 46 2HG ARG 46 12.135 8.051 -6.766 375 1HD ARG 46 1HD ARG 46 13.364 9.923 -5.698 376 2HD ARG 46 2HD ARG 46 14.123 8.779 -4.597 377 HE ARG 46 HE ARG 46 15.545 8.140 -6.319 378 1HH1 ARG 46 1HH1 ARG 46 12.848 9.946 -7.629 379 2HH1 ARG 46 2HH1 ARG 46 13.533 10.036 -9.215 380 1HH2 ARG 46 1HH2 ARG 46 16.401 8.280 -8.401 381 2HH2 ARG 46 2HH2 ARG 46 15.526 9.102 -9.650 382 H GLY 47 H GLY 47 9.045 6.103 -2.979 383 1HA GLY 47 1HA GLY 47 9.580 4.390 -1.526 384 2HA GLY 47 2HA GLY 47 11.197 4.357 -2.218 385 H ARG 48 H ARG 48 8.293 2.733 -1.952 386 HA ARG 48 HA ARG 48 8.458 1.305 -4.488 387 1HB ARG 48 1HB ARG 48 9.607 0.264 -1.982 388 2HB ARG 48 2HB ARG 48 8.512 -0.854 -2.790 389 1HG ARG 48 1HG ARG 48 10.488 0.565 -4.509 390 2HG ARG 48 2HG ARG 48 11.118 -0.682 -3.433 391 1HD ARG 48 1HD ARG 48 9.203 -2.159 -4.338 392 2HD ARG 48 2HD ARG 48 9.059 -0.961 -5.619 393 HE ARG 48 HE ARG 48 11.129 -2.939 -5.350 394 1HH1 ARG 48 1HH1 ARG 48 10.419 0.275 -6.541 395 2HH1 ARG 48 2HH1 ARG 48 11.677 0.235 -7.727 396 1HH2 ARG 48 1HH2 ARG 48 12.757 -2.948 -6.909 397 2HH2 ARG 48 2HH2 ARG 48 12.990 -1.573 -7.935 398 H GLN 49 H GLN 49 6.984 -0.870 -4.018 399 HA GLN 49 HA GLN 49 4.354 0.230 -3.441 400 1HB GLN 49 1HB GLN 49 5.405 -2.286 -4.666 401 2HB GLN 49 2HB GLN 49 3.779 -2.299 -3.987 402 1HG GLN 49 1HG GLN 49 2.944 -0.952 -5.622 403 2HG GLN 49 2HG GLN 49 4.392 0.054 -5.669 404 2HE2 GLN 49 2HE2 GLN 49 2.736 -2.558 -7.227 405 1HE2 GLN 49 1HE2 GLN 49 3.951 -2.936 -8.351 406 H VAL 50 H VAL 50 3.028 -0.374 -1.750 407 HA VAL 50 HA VAL 50 4.078 -2.330 0.190 408 HB VAL 50 HB VAL 50 3.060 0.418 0.952 409 1HG1 VAL 50 1HG1 VAL 50 2.616 -1.517 2.543 410 2HG1 VAL 50 2HG1 VAL 50 4.366 -1.698 2.683 411 3HG1 VAL 50 3HG1 VAL 50 3.587 -0.206 3.212 412 1HG2 VAL 50 1HG2 VAL 50 5.846 -0.775 0.962 413 2HG2 VAL 50 2HG2 VAL 50 5.287 0.580 -0.019 414 3HG2 VAL 50 3HG2 VAL 50 5.413 0.752 1.732 415 H CYS 51 H CYS 51 2.568 -3.774 0.618 416 HA CYS 51 HA CYS 51 -0.186 -3.420 -0.126 417 1HB CYS 51 1HB CYS 51 1.112 -5.550 1.599 418 2HB CYS 51 2HB CYS 51 -0.511 -5.626 0.923 419 H ALA 52 H ALA 52 -1.819 -2.606 1.100 420 HA ALA 52 HA ALA 52 -1.610 -2.667 4.011 421 1HB ALA 52 1HB ALA 52 -0.435 -0.568 3.276 422 2HB ALA 52 2HB ALA 52 -1.970 -0.021 2.602 423 3HB ALA 52 3HB ALA 52 -1.818 -0.301 4.337 424 H ASP 53 H ASP 53 -3.526 -3.041 4.880 425 HA ASP 53 HA ASP 53 -5.904 -2.989 3.204 426 1HB ASP 53 1HB ASP 53 -5.186 -4.106 5.872 427 2HB ASP 53 2HB ASP 53 -6.880 -3.710 5.593 428 H LYS 54 H LYS 54 -7.383 -1.418 3.183 429 HA LYS 54 HA LYS 54 -6.985 1.059 4.444 430 1HB LYS 54 1HB LYS 54 -8.457 0.512 2.407 431 2HB LYS 54 2HB LYS 54 -9.699 0.072 3.580 432 1HG LYS 54 1HG LYS 54 -8.331 2.672 4.032 433 2HG LYS 54 2HG LYS 54 -9.407 2.587 2.637 434 1HD LYS 54 1HD LYS 54 -10.973 1.373 4.469 435 2HD LYS 54 2HD LYS 54 -10.049 2.429 5.537 436 1HE LYS 54 1HE LYS 54 -11.753 3.876 4.946 437 2HE LYS 54 2HE LYS 54 -10.604 4.229 3.655 438 1HZ LYS 54 1HZ LYS 54 -11.795 2.340 2.429 439 2HZ LYS 54 2HZ LYS 54 -13.040 2.569 3.557 440 3HZ LYS 54 3HZ LYS 54 -12.575 3.845 2.536 441 H SER 55 H SER 55 -8.566 -1.843 5.551 442 HA SER 55 HA SER 55 -10.262 -0.828 7.528 443 1HB SER 55 1HB SER 55 -8.756 -3.292 8.182 444 2HB SER 55 2HB SER 55 -10.487 -2.983 8.236 445 HG SER 55 HG SER 55 -10.655 -3.513 6.179 446 H LYS 56 H LYS 56 -6.787 -1.115 7.459 447 HA LYS 56 HA LYS 56 -6.223 -1.009 10.212 448 1HB LYS 56 1HB LYS 56 -4.620 0.219 7.956 449 2HB LYS 56 2HB LYS 56 -4.020 -0.185 9.565 450 1HG LYS 56 1HG LYS 56 -5.363 -2.377 8.069 451 2HG LYS 56 2HG LYS 56 -3.787 -1.863 7.463 452 1HD LYS 56 1HD LYS 56 -3.032 -3.356 9.030 453 2HD LYS 56 2HD LYS 56 -3.231 -1.972 10.105 454 1HE LYS 56 1HE LYS 56 -5.752 -2.951 10.163 455 2HE LYS 56 2HE LYS 56 -4.860 -4.447 9.884 456 1HZ LYS 56 1HZ LYS 56 -3.367 -3.623 11.765 457 2HZ LYS 56 2HZ LYS 56 -4.633 -2.558 12.141 458 3HZ LYS 56 3HZ LYS 56 -4.897 -4.236 12.179 459 H ASP 57 H ASP 57 -4.768 1.136 10.845 460 HA ASP 57 HA ASP 57 -6.780 3.282 10.909 461 1HB ASP 57 1HB ASP 57 -4.370 2.700 12.637 462 2HB ASP 57 2HB ASP 57 -5.311 4.187 12.760 463 H TRP 58 H TRP 58 -3.210 3.086 10.788 464 HA TRP 58 HA TRP 58 -2.871 5.705 9.801 465 1HB TRP 58 1HB TRP 58 -0.581 5.004 9.205 466 2HB TRP 58 2HB TRP 58 -1.018 4.503 10.836 467 HD1 TRP 58 HD1 TRP 58 -1.507 1.900 11.239 468 HE1 TRP 58 HE1 TRP 58 -0.727 -0.190 9.948 469 HE3 TRP 58 HE3 TRP 58 -0.043 4.066 6.855 470 HZ2 TRP 58 HZ2 TRP 58 0.377 -0.857 7.380 471 HZ3 TRP 58 HZ3 TRP 58 0.871 2.687 5.013 472 HH2 TRP 58 HH2 TRP 58 1.077 0.232 5.268 473 H VAL 59 H VAL 59 -3.552 2.683 8.192 474 HA VAL 59 HA VAL 59 -2.872 3.601 5.561 475 HB VAL 59 HB VAL 59 -4.764 1.368 6.333 476 1HG1 VAL 59 1HG1 VAL 59 -3.554 2.361 3.804 477 2HG1 VAL 59 2HG1 VAL 59 -3.568 0.611 4.027 478 3HG1 VAL 59 3HG1 VAL 59 -5.080 1.517 4.064 479 1HG2 VAL 59 1HG2 VAL 59 -1.773 1.337 5.823 480 2HG2 VAL 59 2HG2 VAL 59 -2.549 1.096 7.388 481 3HG2 VAL 59 3HG2 VAL 59 -2.777 -0.087 6.100 482 H LYS 60 H LYS 60 -5.751 3.593 7.568 483 HA LYS 60 HA LYS 60 -7.644 4.287 5.601 484 1HB LYS 60 1HB LYS 60 -8.035 3.591 8.060 485 2HB LYS 60 2HB LYS 60 -7.783 5.296 8.437 486 1HG LYS 60 1HG LYS 60 -9.540 5.805 6.649 487 2HG LYS 60 2HG LYS 60 -9.918 4.083 6.672 488 1HD LYS 60 1HD LYS 60 -10.323 4.236 9.127 489 2HD LYS 60 2HD LYS 60 -10.046 5.976 9.037 490 1HE LYS 60 1HE LYS 60 -12.365 5.881 8.841 491 2HE LYS 60 2HE LYS 60 -11.878 5.875 7.147 492 1HZ LYS 60 1HZ LYS 60 -11.832 3.330 7.475 493 2HZ LYS 60 2HZ LYS 60 -12.835 3.644 8.809 494 3HZ LYS 60 3HZ LYS 60 -13.327 4.109 7.254 495 H LYS 61 H LYS 61 -5.700 6.353 7.773 496 HA LYS 61 HA LYS 61 -6.729 8.806 6.787 497 1HB LYS 61 1HB LYS 61 -4.680 9.824 7.775 498 2HB LYS 61 2HB LYS 61 -5.518 8.754 8.897 499 1HG LYS 61 1HG LYS 61 -3.945 6.975 8.496 500 2HG LYS 61 2HG LYS 61 -3.198 7.864 7.168 501 1HD LYS 61 1HD LYS 61 -1.724 8.285 8.942 502 2HD LYS 61 2HD LYS 61 -2.768 9.706 8.972 503 1HE LYS 61 1HE LYS 61 -3.693 7.366 10.554 504 2HE LYS 61 2HE LYS 61 -2.274 8.213 11.169 505 1HZ LYS 61 1HZ LYS 61 -3.709 10.301 10.703 506 2HZ LYS 61 2HZ LYS 61 -5.009 9.215 10.775 507 3HZ LYS 61 3HZ LYS 61 -3.979 9.394 12.114 508 H LEU 62 H LEU 62 -4.199 6.654 5.680 509 HA LEU 62 HA LEU 62 -2.931 8.432 3.864 510 1HB LEU 62 1HB LEU 62 -3.178 5.440 3.950 511 2HB LEU 62 2HB LEU 62 -2.329 6.265 2.664 512 HG LEU 62 HG LEU 62 -1.608 6.502 5.589 513 1HD1 LEU 62 1HD1 LEU 62 -0.857 4.572 3.430 514 2HD1 LEU 62 2HD1 LEU 62 0.395 5.084 4.560 515 3HD1 LEU 62 3HD1 LEU 62 -1.062 4.293 5.159 516 1HD2 LEU 62 1HD2 LEU 62 -0.517 7.550 2.998 517 2HD2 LEU 62 2HD2 LEU 62 -0.649 8.357 4.559 518 3HD2 LEU 62 3HD2 LEU 62 0.614 7.156 4.293 519 H MET 63 H MET 63 -5.349 5.878 3.368 520 HA MET 63 HA MET 63 -5.849 6.215 0.662 521 1HB MET 63 1HB MET 63 -7.839 5.542 2.840 522 2HB MET 63 2HB MET 63 -8.124 5.328 1.117 523 1HG MET 63 1HG MET 63 -5.874 4.017 2.670 524 2HG MET 63 2HG MET 63 -7.379 3.221 2.223 525 1HE MET 63 1HE MET 63 -7.948 2.236 0.428 526 2HE MET 63 2HE MET 63 -8.064 3.467 -0.827 527 3HE MET 63 3HE MET 63 -7.096 2.011 -1.097 528 H GLN 64 H GLN 64 -7.287 7.950 3.384 529 HA GLN 64 HA GLN 64 -8.946 9.603 1.693 530 1HB GLN 64 1HB GLN 64 -8.209 9.980 4.606 531 2HB GLN 64 2HB GLN 64 -9.524 10.781 3.745 532 1HG GLN 64 1HG GLN 64 -10.638 8.644 3.370 533 2HG GLN 64 2HG GLN 64 -9.288 7.780 4.106 534 2HE2 GLN 64 2HE2 GLN 64 -12.238 9.481 4.771 535 1HE2 GLN 64 1HE2 GLN 64 -12.137 9.417 6.465 536 H GLN 65 H GLN 65 -5.753 9.775 3.099 537 HA GLN 65 HA GLN 65 -5.403 12.600 2.738 538 1HB GLN 65 1HB GLN 65 -3.637 10.298 3.456 539 2HB GLN 65 2HB GLN 65 -2.893 11.807 2.929 540 1HG GLN 65 1HG GLN 65 -5.075 12.156 4.888 541 2HG GLN 65 2HG GLN 65 -3.678 11.277 5.508 542 2HE2 GLN 65 2HE2 GLN 65 -4.450 14.273 3.654 543 1HE2 GLN 65 1HE2 GLN 65 -3.172 15.178 4.307 544 H LEU 66 H LEU 66 -4.873 9.739 0.781 545 HA LEU 66 HA LEU 66 -3.686 11.432 -1.338 546 1HB LEU 66 1HB LEU 66 -3.608 8.430 -1.149 547 2HB LEU 66 2HB LEU 66 -2.716 9.446 -2.260 548 HG LEU 66 HG LEU 66 -2.305 9.380 0.740 549 1HD1 LEU 66 1HD1 LEU 66 -1.622 7.276 -0.357 550 2HD1 LEU 66 2HD1 LEU 66 -0.667 8.192 -1.522 551 3HD1 LEU 66 3HD1 LEU 66 -0.214 8.191 0.182 552 1HD2 LEU 66 1HD2 LEU 66 -1.731 11.434 -0.933 553 2HD2 LEU 66 2HD2 LEU 66 -0.730 11.024 0.459 554 3HD2 LEU 66 3HD2 LEU 66 -0.277 10.460 -1.149 555 HA PRO 67 HA PRO 67 -7.351 10.669 -3.667 556 1HB PRO 67 1HB PRO 67 -6.402 10.968 -6.222 557 2HB PRO 67 2HB PRO 67 -6.692 12.316 -5.112 558 1HG PRO 67 1HG PRO 67 -4.124 11.094 -5.958 559 2HG PRO 67 2HG PRO 67 -4.469 12.751 -5.442 560 1HD PRO 67 1HD PRO 67 -3.271 10.747 -3.861 561 2HD PRO 67 2HD PRO 67 -3.949 12.280 -3.263 562 H VAL 68 H VAL 68 -5.072 9.345 -6.047 563 HA VAL 68 HA VAL 68 -5.210 6.652 -5.384 564 HB VAL 68 HB VAL 68 -7.740 7.384 -6.061 565 1HG1 VAL 68 1HG1 VAL 68 -7.074 7.933 -8.413 566 2HG1 VAL 68 2HG1 VAL 68 -6.616 6.243 -8.632 567 3HG1 VAL 68 3HG1 VAL 68 -8.296 6.666 -8.303 568 1HG2 VAL 68 1HG2 VAL 68 -6.533 5.142 -5.296 569 2HG2 VAL 68 2HG2 VAL 68 -8.188 5.138 -5.907 570 3HG2 VAL 68 3HG2 VAL 68 -6.854 4.688 -6.970 571 H THR 69 H THR 69 -4.750 5.228 -7.402 572 HA THR 69 HA THR 69 -2.535 6.466 -8.774 573 HB THR 69 HB THR 69 -2.677 4.102 -9.991 574 HG1 THR 69 HG1 THR 69 -4.146 2.884 -9.162 575 1HG2 THR 69 1HG2 THR 69 -1.003 5.073 -8.266 576 2HG2 THR 69 2HG2 THR 69 -1.921 4.152 -7.075 577 3HG2 THR 69 3HG2 THR 69 -1.119 3.320 -8.407 578 H ALA 70 H ALA 70 -5.482 4.797 -9.904 579 HA ALA 70 HA ALA 70 -6.753 5.060 -11.802 580 1HB ALA 70 1HB ALA 70 -5.622 7.791 -12.264 581 2HB ALA 70 2HB ALA 70 -6.615 7.514 -10.833 582 3HB ALA 70 3HB ALA 70 -7.280 7.220 -12.440 583 H ARG 71 H ARG 71 -6.628 5.334 -14.163 584 HA ARG 71 HA ARG 71 -4.093 5.702 -15.448 585 1HB ARG 71 1HB ARG 71 -3.890 3.372 -16.314 586 2HB ARG 71 2HB ARG 71 -3.626 3.485 -14.574 587 1HG ARG 71 1HG ARG 71 -5.101 1.700 -14.639 588 2HG ARG 71 2HG ARG 71 -6.243 3.035 -14.491 589 1HD ARG 71 1HD ARG 71 -6.910 2.894 -16.700 590 2HD ARG 71 2HD ARG 71 -5.369 2.233 -17.234 591 HE ARG 71 HE ARG 71 -6.242 0.122 -16.889 592 1HH1 ARG 71 1HH1 ARG 71 -8.080 2.436 -15.012 593 2HH1 ARG 71 2HH1 ARG 71 -9.233 1.260 -14.482 594 1HH2 ARG 71 1HH2 ARG 71 -7.768 -1.378 -16.175 595 2HH2 ARG 71 2HH2 ARG 71 -9.059 -0.881 -15.133 No H/Q in entry = 595 Start of MODEL 36 1 H1 LEU 1 H1 LEU 1 -11.140 -25.730 -11.725 2 H2 LEU 1 H2 LEU 1 -11.560 -25.217 -10.160 3 H3 LEU 1 H3 LEU 1 -11.230 -24.071 -11.366 4 HA LEU 1 HA LEU 1 -9.281 -24.067 -10.155 5 1HB LEU 1 1HB LEU 1 -10.209 -26.399 -9.108 6 2HB LEU 1 2HB LEU 1 -8.911 -27.015 -10.128 7 HG LEU 1 HG LEU 1 -8.070 -26.535 -7.870 8 1HD1 LEU 1 1HD1 LEU 1 -6.828 -25.889 -10.154 9 2HD1 LEU 1 2HD1 LEU 1 -6.928 -24.275 -9.448 10 3HD1 LEU 1 3HD1 LEU 1 -6.104 -25.569 -8.577 11 1HD2 LEU 1 1HD2 LEU 1 -9.862 -24.531 -7.765 12 2HD2 LEU 1 2HD2 LEU 1 -8.421 -24.559 -6.747 13 3HD2 LEU 1 3HD2 LEU 1 -8.438 -23.598 -8.227 14 H GLY 2 H GLY 2 -7.482 -23.715 -11.314 15 1HA GLY 2 1HA GLY 2 -6.151 -23.614 -13.209 16 2HA GLY 2 2HA GLY 2 -7.337 -24.619 -14.039 17 H ALA 3 H ALA 3 -5.029 -24.931 -11.329 18 HA ALA 3 HA ALA 3 -4.588 -27.727 -11.834 19 1HB ALA 3 1HB ALA 3 -2.225 -27.547 -12.485 20 2HB ALA 3 2HB ALA 3 -2.369 -25.790 -12.540 21 3HB ALA 3 3HB ALA 3 -3.266 -26.784 -13.687 22 H SER 4 H SER 4 -3.200 -24.755 -10.468 23 HA SER 4 HA SER 4 -3.305 -25.729 -7.797 24 1HB SER 4 1HB SER 4 -1.373 -27.076 -8.647 25 2HB SER 4 2HB SER 4 -0.527 -25.570 -8.991 26 HG SER 4 HG SER 4 -0.055 -25.450 -6.955 27 H TRP 5 H TRP 5 -4.063 -23.812 -7.100 28 HA TRP 5 HA TRP 5 -2.969 -21.294 -7.987 29 1HB TRP 5 1HB TRP 5 -5.381 -21.711 -7.250 30 2HB TRP 5 2HB TRP 5 -4.764 -21.710 -5.597 31 HD1 TRP 5 HD1 TRP 5 -5.086 -19.435 -8.670 32 HE1 TRP 5 HE1 TRP 5 -4.913 -16.982 -7.895 33 HE3 TRP 5 HE3 TRP 5 -3.934 -20.145 -3.745 34 HZ2 TRP 5 HZ2 TRP 5 -4.359 -15.515 -5.502 35 HZ3 TRP 5 HZ3 TRP 5 -3.589 -18.205 -2.242 36 HH2 TRP 5 HH2 TRP 5 -3.801 -15.893 -3.113 37 H HIS 6 H HIS 6 -0.737 -21.669 -7.404 38 HA HIS 6 HA HIS 6 -0.221 -20.911 -4.610 39 1HB HIS 6 1HB HIS 6 0.094 -23.467 -5.136 40 2HB HIS 6 2HB HIS 6 1.585 -22.920 -5.902 41 HD1 HIS 6 HD1 HIS 6 -0.117 -21.798 -2.670 42 HD2 HIS 6 HD2 HIS 6 3.550 -23.273 -3.996 43 HE1 HIS 6 HE1 HIS 6 1.419 -21.814 -0.656 44 H ARG 7 H ARG 7 1.205 -21.477 -7.809 45 HA ARG 7 HA ARG 7 3.444 -19.758 -7.391 46 1HB ARG 7 1HB ARG 7 2.316 -21.309 -9.628 47 2HB ARG 7 2HB ARG 7 3.149 -19.835 -10.120 48 1HG ARG 7 1HG ARG 7 5.190 -20.527 -9.187 49 2HG ARG 7 2HG ARG 7 4.414 -21.703 -8.126 50 1HD ARG 7 1HD ARG 7 5.346 -23.043 -9.816 51 2HD ARG 7 2HD ARG 7 3.667 -22.870 -10.317 52 HE ARG 7 HE ARG 7 5.289 -20.813 -11.457 53 1HH1 ARG 7 1HH1 ARG 7 4.494 -24.209 -11.745 54 2HH1 ARG 7 2HH1 ARG 7 4.871 -24.271 -13.433 55 1HH2 ARG 7 1HH2 ARG 7 5.770 -20.937 -13.656 56 2HH2 ARG 7 2HH2 ARG 7 5.587 -22.435 -14.506 57 HA PRO 8 HA PRO 8 0.971 -16.459 -9.777 58 1HB PRO 8 1HB PRO 8 -1.636 -16.943 -10.436 59 2HB PRO 8 2HB PRO 8 -0.264 -17.375 -11.469 60 1HG PRO 8 1HG PRO 8 -1.996 -19.121 -9.817 61 2HG PRO 8 2HG PRO 8 -1.089 -19.498 -11.288 62 1HD PRO 8 1HD PRO 8 -0.332 -20.154 -8.637 63 2HD PRO 8 2HD PRO 8 0.693 -20.264 -10.087 64 H ASP 9 H ASP 9 0.066 -14.687 -8.795 65 HA ASP 9 HA ASP 9 -2.186 -14.695 -7.095 66 1HB ASP 9 1HB ASP 9 -0.590 -15.980 -5.628 67 2HB ASP 9 2HB ASP 9 0.429 -14.541 -5.583 68 H LYS 10 H LYS 10 -2.511 -12.872 -8.450 69 HA LYS 10 HA LYS 10 -0.751 -10.677 -8.649 70 1HB LYS 10 1HB LYS 10 -2.975 -11.266 -9.955 71 2HB LYS 10 2HB LYS 10 -3.707 -10.239 -8.722 72 1HG LYS 10 1HG LYS 10 -1.229 -9.220 -10.025 73 2HG LYS 10 2HG LYS 10 -2.699 -9.234 -11.001 74 1HD LYS 10 1HD LYS 10 -3.698 -8.205 -8.710 75 2HD LYS 10 2HD LYS 10 -2.038 -7.615 -8.597 76 1HE LYS 10 1HE LYS 10 -2.478 -6.996 -11.156 77 2HE LYS 10 2HE LYS 10 -4.151 -6.958 -10.603 78 1HZ LYS 10 1HZ LYS 10 -1.947 -5.519 -9.239 79 2HZ LYS 10 2HZ LYS 10 -2.937 -4.807 -10.422 80 3HZ LYS 10 3HZ LYS 10 -3.613 -5.355 -8.964 81 H CYS 11 H CYS 11 -3.138 -11.580 -6.248 82 HA CYS 11 HA CYS 11 -3.407 -9.101 -4.935 83 1HB CYS 11 1HB CYS 11 -3.782 -11.957 -4.100 84 2HB CYS 11 2HB CYS 11 -3.870 -10.672 -2.897 85 H CYS 12 H CYS 12 -2.706 -9.121 -2.434 86 HA CYS 12 HA CYS 12 0.220 -9.054 -2.519 87 1HB CYS 12 1HB CYS 12 -1.870 -7.827 -0.751 88 2HB CYS 12 2HB CYS 12 -0.209 -7.972 -0.177 89 H LEU 13 H LEU 13 -2.416 -10.715 -0.918 90 HA LEU 13 HA LEU 13 -2.461 -12.559 0.461 91 1HB LEU 13 1HB LEU 13 -0.597 -13.131 -1.375 92 2HB LEU 13 2HB LEU 13 0.415 -13.133 0.052 93 HG LEU 13 HG LEU 13 -1.015 -14.863 1.065 94 1HD1 LEU 13 1HD1 LEU 13 -2.578 -14.435 -1.480 95 2HD1 LEU 13 2HD1 LEU 13 -2.664 -15.966 -0.608 96 3HD1 LEU 13 3HD1 LEU 13 -3.169 -14.472 0.181 97 1HD2 LEU 13 1HD2 LEU 13 0.214 -15.268 -1.648 98 2HD2 LEU 13 2HD2 LEU 13 0.765 -15.852 -0.079 99 3HD2 LEU 13 3HD2 LEU 13 -0.615 -16.615 -0.868 100 H GLY 14 H GLY 14 -1.268 -9.841 1.318 101 1HA GLY 14 1HA GLY 14 0.694 -10.219 3.286 102 2HA GLY 14 2HA GLY 14 -0.884 -10.439 4.042 103 H TYR 15 H TYR 15 0.783 -8.363 4.824 104 HA TYR 15 HA TYR 15 -0.024 -5.941 3.432 105 1HB TYR 15 1HB TYR 15 -1.025 -6.562 6.217 106 2HB TYR 15 2HB TYR 15 -1.066 -4.958 5.484 107 HD1 TYR 15 HD1 TYR 15 -2.080 -4.921 3.010 108 HD2 TYR 15 HD2 TYR 15 -2.916 -7.907 5.981 109 HE1 TYR 15 HE1 TYR 15 -4.180 -5.503 1.831 110 HE2 TYR 15 HE2 TYR 15 -5.018 -8.491 4.801 111 HH TYR 15 HH TYR 15 -5.749 -8.164 2.082 112 H GLN 16 H GLN 16 0.773 -3.976 4.652 113 HA GLN 16 HA GLN 16 3.545 -4.198 5.084 114 1HB GLN 16 1HB GLN 16 2.445 -2.086 4.403 115 2HB GLN 16 2HB GLN 16 1.685 -1.981 5.983 116 1HG GLN 16 1HG GLN 16 3.758 -0.570 5.748 117 2HG GLN 16 2HG GLN 16 3.832 -1.725 7.071 118 2HE2 GLN 16 2HE2 GLN 16 5.289 -0.795 4.041 119 1HE2 GLN 16 1HE2 GLN 16 6.480 -2.002 4.020 120 H LYS 17 H LYS 17 0.924 -3.609 7.394 121 HA LYS 17 HA LYS 17 0.659 -4.383 9.569 122 1HB LYS 17 1HB LYS 17 3.571 -5.172 9.676 123 2HB LYS 17 2HB LYS 17 2.260 -5.700 10.728 124 1HG LYS 17 1HG LYS 17 1.251 -6.484 8.350 125 2HG LYS 17 2HG LYS 17 2.974 -6.614 7.990 126 1HD LYS 17 1HD LYS 17 3.327 -8.098 9.859 127 2HD LYS 17 2HD LYS 17 1.685 -7.833 10.445 128 1HE LYS 17 1HE LYS 17 0.727 -9.097 8.726 129 2HE LYS 17 2HE LYS 17 2.123 -8.895 7.667 130 1HZ LYS 17 1HZ LYS 17 3.406 -10.281 9.213 131 2HZ LYS 17 2HZ LYS 17 2.008 -10.533 10.140 132 3HZ LYS 17 3HZ LYS 17 2.084 -11.115 8.546 133 H ARG 18 H ARG 18 3.684 -2.708 8.760 134 HA ARG 18 HA ARG 18 3.445 -1.129 11.224 135 1HB ARG 18 1HB ARG 18 5.703 -0.264 10.581 136 2HB ARG 18 2HB ARG 18 5.666 -2.010 10.821 137 1HG ARG 18 1HG ARG 18 5.673 -2.441 8.482 138 2HG ARG 18 2HG ARG 18 5.277 -0.765 8.096 139 1HD ARG 18 1HD ARG 18 7.675 -1.271 7.697 140 2HD ARG 18 2HD ARG 18 7.452 -0.023 8.919 141 HE ARG 18 HE ARG 18 8.414 -1.453 10.467 142 1HH1 ARG 18 1HH1 ARG 18 7.362 -3.300 7.685 143 2HH1 ARG 18 2HH1 ARG 18 8.082 -4.768 8.246 144 1HH2 ARG 18 1HH2 ARG 18 9.339 -3.390 11.160 145 2HH2 ARG 18 2HH2 ARG 18 9.192 -4.821 10.196 146 HA PRO 19 HA PRO 19 1.885 2.249 8.802 147 1HB PRO 19 1HB PRO 19 2.207 4.261 10.620 148 2HB PRO 19 2HB PRO 19 0.949 3.024 10.735 149 1HG PRO 19 1HG PRO 19 3.397 3.349 12.343 150 2HG PRO 19 2HG PRO 19 1.892 2.509 12.738 151 1HD PRO 19 1HD PRO 19 4.353 1.327 11.885 152 2HD PRO 19 2HD PRO 19 2.796 0.506 12.142 153 H LEU 20 H LEU 20 2.668 3.611 7.286 154 HA LEU 20 HA LEU 20 5.470 4.526 7.562 155 1HB LEU 20 1HB LEU 20 4.194 4.692 4.908 156 2HB LEU 20 2HB LEU 20 5.813 4.201 5.347 157 HG LEU 20 HG LEU 20 3.308 2.506 5.395 158 1HD1 LEU 20 1HD1 LEU 20 5.666 2.836 3.613 159 2HD1 LEU 20 2HD1 LEU 20 5.139 1.181 3.914 160 3HD1 LEU 20 3HD1 LEU 20 4.017 2.349 3.221 161 1HD2 LEU 20 1HD2 LEU 20 5.987 2.168 6.673 162 2HD2 LEU 20 2HD2 LEU 20 4.410 1.582 7.201 163 3HD2 LEU 20 3HD2 LEU 20 5.270 0.751 5.905 164 HA PRO 21 HA PRO 21 3.940 8.680 7.443 165 1HB PRO 21 1HB PRO 21 6.152 10.003 6.524 166 2HB PRO 21 2HB PRO 21 6.018 9.327 8.158 167 1HG PRO 21 1HG PRO 21 7.599 8.356 5.856 168 2HG PRO 21 2HG PRO 21 7.859 8.106 7.588 169 1HD PRO 21 1HD PRO 21 6.721 6.248 5.748 170 2HD PRO 21 2HD PRO 21 6.805 6.083 7.518 171 H GLN 22 H GLN 22 2.709 9.850 6.060 172 HA GLN 22 HA GLN 22 2.572 9.215 3.290 173 1HB GLN 22 1HB GLN 22 0.722 10.149 4.817 174 2HB GLN 22 2HB GLN 22 1.451 11.725 4.514 175 1HG GLN 22 1HG GLN 22 0.966 10.010 2.132 176 2HG GLN 22 2HG GLN 22 -0.460 10.681 2.922 177 2HE2 GLN 22 2HE2 GLN 22 0.058 13.189 3.604 178 1HE2 GLN 22 1HE2 GLN 22 0.676 14.116 2.324 179 H VAL 23 H VAL 23 4.663 11.278 5.033 180 HA VAL 23 HA VAL 23 5.044 13.434 3.335 181 HB VAL 23 HB VAL 23 6.054 13.229 5.581 182 1HG1 VAL 23 1HG1 VAL 23 6.827 10.743 4.822 183 2HG1 VAL 23 2HG1 VAL 23 8.331 11.623 4.563 184 3HG1 VAL 23 3HG1 VAL 23 7.571 11.623 6.154 185 1HG2 VAL 23 1HG2 VAL 23 8.032 13.635 3.321 186 2HG2 VAL 23 2HG2 VAL 23 6.997 14.870 4.041 187 3HG2 VAL 23 3HG2 VAL 23 8.293 14.142 4.991 188 H LEU 24 H LEU 24 6.192 10.153 3.051 189 HA LEU 24 HA LEU 24 7.726 10.853 0.629 190 1HB LEU 24 1HB LEU 24 8.682 8.630 0.806 191 2HB LEU 24 2HB LEU 24 8.888 9.501 2.310 192 HG LEU 24 HG LEU 24 6.714 8.235 3.035 193 1HD1 LEU 24 1HD1 LEU 24 7.238 7.104 0.420 194 2HD1 LEU 24 2HD1 LEU 24 7.341 5.849 1.654 195 3HD1 LEU 24 3HD1 LEU 24 5.876 6.817 1.501 196 1HD2 LEU 24 1HD2 LEU 24 9.297 7.932 3.614 197 2HD2 LEU 24 2HD2 LEU 24 8.088 6.781 4.183 198 3HD2 LEU 24 3HD2 LEU 24 9.059 6.408 2.759 199 H LEU 25 H LEU 25 5.016 9.018 1.844 200 HA LEU 25 HA LEU 25 4.497 7.396 -0.373 201 1HB LEU 25 1HB LEU 25 3.360 7.654 2.040 202 2HB LEU 25 2HB LEU 25 2.174 8.506 1.080 203 HG LEU 25 HG LEU 25 1.749 6.534 -0.253 204 1HD1 LEU 25 1HD1 LEU 25 4.257 5.609 1.061 205 2HD1 LEU 25 2HD1 LEU 25 3.018 4.390 0.766 206 3HD1 LEU 25 3HD1 LEU 25 3.676 5.323 -0.579 207 1HD2 LEU 25 1HD2 LEU 25 1.693 6.383 2.721 208 2HD2 LEU 25 2HD2 LEU 25 0.362 6.306 1.566 209 3HD2 LEU 25 3HD2 LEU 25 1.370 4.886 1.847 210 H SER 26 H SER 26 2.978 7.551 -2.048 211 HA SER 26 HA SER 26 2.465 10.337 -2.917 212 1HB SER 26 1HB SER 26 4.003 8.536 -4.233 213 2HB SER 26 2HB SER 26 2.436 8.195 -4.958 214 HG SER 26 HG SER 26 4.019 10.115 -5.612 215 H SER 27 H SER 27 1.220 7.109 -3.824 216 HA SER 27 HA SER 27 -1.502 7.969 -3.131 217 1HB SER 27 1HB SER 27 -1.240 6.680 -5.785 218 2HB SER 27 2HB SER 27 -2.383 7.896 -5.232 219 HG SER 27 HG SER 27 -0.739 8.621 -6.765 220 H TRP 28 H TRP 28 -2.919 5.904 -4.219 221 HA TRP 28 HA TRP 28 -1.632 3.385 -3.467 222 1HB TRP 28 1HB TRP 28 -3.609 2.806 -1.991 223 2HB TRP 28 2HB TRP 28 -2.506 4.007 -1.326 224 HD1 TRP 28 HD1 TRP 28 -3.312 6.550 -1.291 225 HE1 TRP 28 HE1 TRP 28 -5.662 7.606 -1.361 226 HE3 TRP 28 HE3 TRP 28 -6.031 2.540 -2.931 227 HZ2 TRP 28 HZ2 TRP 28 -8.339 6.845 -2.040 228 HZ3 TRP 28 HZ3 TRP 28 -8.472 2.740 -3.282 229 HH2 TRP 28 HH2 TRP 28 -9.630 4.885 -2.835 230 H TYR 29 H TYR 29 -2.423 1.668 -4.582 231 HA TYR 29 HA TYR 29 -4.849 2.148 -6.204 232 1HB TYR 29 1HB TYR 29 -3.913 0.855 -8.012 233 2HB TYR 29 2HB TYR 29 -2.766 2.114 -7.579 234 HD1 TYR 29 HD1 TYR 29 -0.784 1.498 -6.075 235 HD2 TYR 29 HD2 TYR 29 -3.325 -1.433 -7.918 236 HE1 TYR 29 HE1 TYR 29 0.964 -0.223 -5.743 237 HE2 TYR 29 HE2 TYR 29 -1.575 -3.158 -7.583 238 HH TYR 29 HH TYR 29 1.310 -2.807 -7.256 239 HA PRO 30 HA PRO 30 -6.327 -1.517 -4.217 240 1HB PRO 30 1HB PRO 30 -8.471 -2.048 -5.825 241 2HB PRO 30 2HB PRO 30 -8.433 -0.736 -4.636 242 1HG PRO 30 1HG PRO 30 -8.266 -0.602 -7.586 243 2HG PRO 30 2HG PRO 30 -8.822 0.619 -6.431 244 1HD PRO 30 1HD PRO 30 -6.292 0.540 -7.728 245 2HD PRO 30 2HD PRO 30 -6.773 1.621 -6.399 246 H THR 31 H THR 31 -6.155 -3.725 -4.330 247 HA THR 31 HA THR 31 -5.009 -4.831 -6.805 248 HB THR 31 HB THR 31 -3.681 -5.158 -4.776 249 HG1 THR 31 HG1 THR 31 -3.374 -6.870 -5.998 250 1HG2 THR 31 1HG2 THR 31 -6.232 -5.576 -3.579 251 2HG2 THR 31 2HG2 THR 31 -5.307 -7.065 -3.388 252 3HG2 THR 31 3HG2 THR 31 -4.655 -5.540 -2.791 253 H SER 32 H SER 32 -5.553 -7.417 -6.732 254 HA SER 32 HA SER 32 -8.176 -7.652 -7.700 255 1HB SER 32 1HB SER 32 -6.015 -9.554 -6.968 256 2HB SER 32 2HB SER 32 -7.644 -10.210 -7.084 257 HG SER 32 HG SER 32 -6.208 -8.748 -9.050 258 H GLN 33 H GLN 33 -10.073 -7.774 -6.703 259 HA GLN 33 HA GLN 33 -10.143 -8.166 -3.805 260 1HB GLN 33 1HB GLN 33 -12.502 -7.408 -4.042 261 2HB GLN 33 2HB GLN 33 -11.338 -6.231 -4.640 262 1HG GLN 33 1HG GLN 33 -11.812 -6.742 -6.899 263 2HG GLN 33 2HG GLN 33 -12.593 -8.266 -6.479 264 2HE2 GLN 33 2HE2 GLN 33 -13.488 -5.479 -7.759 265 1HE2 GLN 33 1HE2 GLN 33 -14.976 -5.207 -6.987 266 H LEU 34 H LEU 34 -9.519 -10.497 -5.134 267 HA LEU 34 HA LEU 34 -11.822 -12.139 -4.433 268 1HB LEU 34 1HB LEU 34 -11.473 -13.478 -6.594 269 2HB LEU 34 2HB LEU 34 -12.417 -12.010 -6.663 270 HG LEU 34 HG LEU 34 -10.834 -12.380 -8.586 271 1HD1 LEU 34 1HD1 LEU 34 -11.618 -10.070 -7.377 272 2HD1 LEU 34 2HD1 LEU 34 -9.865 -9.885 -7.328 273 3HD1 LEU 34 3HD1 LEU 34 -10.683 -10.128 -8.871 274 1HD2 LEU 34 1HD2 LEU 34 -8.951 -13.309 -7.292 275 2HD2 LEU 34 2HD2 LEU 34 -8.446 -11.881 -8.194 276 3HD2 LEU 34 3HD2 LEU 34 -8.754 -11.767 -6.461 277 H CYS 35 H CYS 35 -9.525 -11.897 -3.022 278 HA CYS 35 HA CYS 35 -8.171 -14.478 -3.537 279 1HB CYS 35 1HB CYS 35 -6.882 -12.005 -2.355 280 2HB CYS 35 2HB CYS 35 -6.090 -13.545 -2.692 281 H SER 36 H SER 36 -6.739 -14.793 -1.296 282 HA SER 36 HA SER 36 -8.617 -15.648 0.612 283 1HB SER 36 1HB SER 36 -6.060 -16.251 0.249 284 2HB SER 36 2HB SER 36 -5.832 -15.010 1.477 285 HG SER 36 HG SER 36 -7.350 -16.174 2.769 286 H LYS 37 H LYS 37 -6.727 -12.688 0.362 287 HA LYS 37 HA LYS 37 -8.553 -11.223 1.992 288 1HB LYS 37 1HB LYS 37 -6.948 -10.668 3.824 289 2HB LYS 37 2HB LYS 37 -7.475 -12.351 3.846 290 1HG LYS 37 1HG LYS 37 -5.326 -12.675 2.307 291 2HG LYS 37 2HG LYS 37 -4.804 -11.209 3.137 292 1HD LYS 37 1HD LYS 37 -5.929 -13.505 4.718 293 2HD LYS 37 2HD LYS 37 -4.244 -13.538 4.198 294 1HE LYS 37 1HE LYS 37 -3.978 -12.443 6.211 295 2HE LYS 37 2HE LYS 37 -4.291 -11.050 5.177 296 1HZ LYS 37 1HZ LYS 37 -6.439 -12.520 6.592 297 2HZ LYS 37 2HZ LYS 37 -5.644 -11.178 7.264 298 3HZ LYS 37 3HZ LYS 37 -6.541 -11.008 5.832 299 HA PRO 38 HA PRO 38 -5.817 -8.714 -0.747 300 1HB PRO 38 1HB PRO 38 -7.806 -7.612 -2.260 301 2HB PRO 38 2HB PRO 38 -7.042 -9.167 -2.624 302 1HG PRO 38 1HG PRO 38 -9.737 -8.610 -1.550 303 2HG PRO 38 2HG PRO 38 -9.147 -10.022 -2.438 304 1HD PRO 38 1HD PRO 38 -9.560 -9.818 0.379 305 2HD PRO 38 2HD PRO 38 -8.802 -11.168 -0.498 306 H GLY 39 H GLY 39 -5.765 -6.336 -1.089 307 1HA GLY 39 1HA GLY 39 -5.884 -4.772 1.094 308 2HA GLY 39 2HA GLY 39 -7.548 -4.692 0.519 309 H VAL 40 H VAL 40 -4.783 -3.026 0.498 310 HA VAL 40 HA VAL 40 -4.872 -2.189 -2.313 311 HB VAL 40 HB VAL 40 -5.180 -0.200 -0.052 312 1HG1 VAL 40 1HG1 VAL 40 -4.091 0.222 -2.492 313 2HG1 VAL 40 2HG1 VAL 40 -5.794 0.463 -2.875 314 3HG1 VAL 40 3HG1 VAL 40 -5.022 1.440 -1.627 315 1HG2 VAL 40 1HG2 VAL 40 -7.218 -1.588 -0.379 316 2HG2 VAL 40 2HG2 VAL 40 -7.473 0.092 -0.853 317 3HG2 VAL 40 3HG2 VAL 40 -7.219 -1.143 -2.085 318 H ILE 41 H ILE 41 -2.974 -1.461 -3.076 319 HA ILE 41 HA ILE 41 -0.673 -1.575 -1.252 320 HB ILE 41 HB ILE 41 -0.923 -1.688 -4.266 321 1HG1 ILE 41 1HG1 ILE 41 0.324 -3.910 -3.691 322 2HG1 ILE 41 2HG1 ILE 41 -0.274 -3.618 -2.058 323 1HG2 ILE 41 1HG2 ILE 41 1.585 -1.629 -2.555 324 2HG2 ILE 41 2HG2 ILE 41 1.553 -2.076 -4.260 325 3HG2 ILE 41 3HG2 ILE 41 1.115 -0.438 -3.769 326 1HD1 ILE 41 1HD1 ILE 41 -2.237 -3.336 -4.279 327 2HD1 ILE 41 2HD1 ILE 41 -1.712 -4.972 -3.878 328 3HD1 ILE 41 3HD1 ILE 41 -2.468 -3.962 -2.646 329 H PHE 42 H PHE 42 0.860 0.106 -1.186 330 HA PHE 42 HA PHE 42 -0.190 2.729 -2.068 331 1HB PHE 42 1HB PHE 42 1.326 1.863 0.365 332 2HB PHE 42 2HB PHE 42 1.534 3.507 -0.237 333 HD1 PHE 42 HD1 PHE 42 -0.963 1.042 0.979 334 HD2 PHE 42 HD2 PHE 42 -0.182 5.150 0.003 335 HE1 PHE 42 HE1 PHE 42 -3.108 1.699 2.034 336 HE2 PHE 42 HE2 PHE 42 -2.326 5.808 1.056 337 HZ PHE 42 HZ PHE 42 -3.789 4.084 2.076 338 H LEU 43 H LEU 43 0.884 3.621 -3.693 339 HA LEU 43 HA LEU 43 3.605 2.720 -4.309 340 1HB LEU 43 1HB LEU 43 2.278 4.803 -5.955 341 2HB LEU 43 2HB LEU 43 3.294 3.467 -6.446 342 HG LEU 43 HG LEU 43 1.108 2.095 -5.637 343 1HD1 LEU 43 1HD1 LEU 43 0.276 4.904 -6.146 344 2HD1 LEU 43 2HD1 LEU 43 -0.717 3.649 -6.888 345 3HD1 LEU 43 3HD1 LEU 43 -0.483 3.670 -5.140 346 1HD2 LEU 43 1HD2 LEU 43 1.794 3.380 -8.281 347 2HD2 LEU 43 2HD2 LEU 43 2.014 1.701 -7.786 348 3HD2 LEU 43 3HD2 LEU 43 0.396 2.318 -8.123 349 H THR 44 H THR 44 5.053 3.727 -3.005 350 HA THR 44 HA THR 44 4.764 6.356 -2.001 351 HB THR 44 HB THR 44 7.100 6.170 -1.340 352 HG1 THR 44 HG1 THR 44 7.070 3.968 -3.119 353 1HG2 THR 44 1HG2 THR 44 5.261 3.843 -1.026 354 2HG2 THR 44 2HG2 THR 44 6.925 3.646 -0.479 355 3HG2 THR 44 3HG2 THR 44 5.920 4.925 0.198 356 H LYS 45 H LYS 45 6.402 8.116 -2.475 357 HA LYS 45 HA LYS 45 6.110 9.003 -5.131 358 1HB LYS 45 1HB LYS 45 7.899 9.873 -2.867 359 2HB LYS 45 2HB LYS 45 7.980 10.643 -4.453 360 1HG LYS 45 1HG LYS 45 5.880 11.582 -4.262 361 2HG LYS 45 2HG LYS 45 5.283 10.291 -3.218 362 1HD LYS 45 1HD LYS 45 5.520 11.888 -1.594 363 2HD LYS 45 2HD LYS 45 7.193 11.330 -1.606 364 1HE LYS 45 1HE LYS 45 7.330 13.122 -3.613 365 2HE LYS 45 2HE LYS 45 6.033 13.855 -2.668 366 1HZ LYS 45 1HZ LYS 45 7.575 13.483 -0.692 367 2HZ LYS 45 2HZ LYS 45 8.805 13.262 -1.842 368 3HZ LYS 45 3HZ LYS 45 7.971 14.737 -1.769 369 H ARG 46 H ARG 46 9.065 7.912 -3.455 370 HA ARG 46 HA ARG 46 10.102 6.991 -6.068 371 1HB ARG 46 1HB ARG 46 11.160 9.140 -5.286 372 2HB ARG 46 2HB ARG 46 11.785 8.241 -3.901 373 1HG ARG 46 1HG ARG 46 13.222 6.959 -5.206 374 2HG ARG 46 2HG ARG 46 12.245 7.161 -6.661 375 1HD ARG 46 1HD ARG 46 12.880 9.675 -6.459 376 2HD ARG 46 2HD ARG 46 14.161 9.107 -5.393 377 HE ARG 46 HE ARG 46 14.164 7.616 -7.819 378 1HH1 ARG 46 1HH1 ARG 46 14.988 10.759 -6.517 379 2HH1 ARG 46 2HH1 ARG 46 16.216 11.052 -7.699 380 1HH2 ARG 46 1HH2 ARG 46 15.774 8.038 -9.341 381 2HH2 ARG 46 2HH2 ARG 46 16.659 9.526 -9.285 382 H GLY 47 H GLY 47 9.144 5.989 -3.060 383 1HA GLY 47 1HA GLY 47 9.755 4.265 -1.639 384 2HA GLY 47 2HA GLY 47 11.311 4.183 -2.459 385 H ARG 48 H ARG 48 8.348 2.681 -1.995 386 HA ARG 48 HA ARG 48 8.303 1.247 -4.533 387 1HB ARG 48 1HB ARG 48 9.478 0.132 -2.061 388 2HB ARG 48 2HB ARG 48 8.316 -0.917 -2.869 389 1HG ARG 48 1HG ARG 48 10.135 -1.525 -4.110 390 2HG ARG 48 2HG ARG 48 9.748 -0.059 -5.011 391 1HD ARG 48 1HD ARG 48 11.232 1.017 -3.029 392 2HD ARG 48 2HD ARG 48 11.963 -0.583 -3.100 393 HE ARG 48 HE ARG 48 11.680 0.645 -5.695 394 1HH1 ARG 48 1HH1 ARG 48 13.686 0.424 -2.836 395 2HH1 ARG 48 2HH1 ARG 48 15.128 0.885 -3.672 396 1HH2 ARG 48 1HH2 ARG 48 13.583 1.242 -6.748 397 2HH2 ARG 48 2HH2 ARG 48 15.071 1.345 -5.870 398 H GLN 49 H GLN 49 6.710 -0.817 -4.008 399 HA GLN 49 HA GLN 49 4.195 0.450 -3.320 400 1HB GLN 49 1HB GLN 49 5.038 -2.117 -4.567 401 2HB GLN 49 2HB GLN 49 3.483 -2.101 -3.736 402 1HG GLN 49 1HG GLN 49 2.904 -1.438 -5.911 403 2HG GLN 49 2HG GLN 49 3.065 0.103 -5.068 404 2HE2 GLN 49 2HE2 GLN 49 4.865 1.474 -5.622 405 1HE2 GLN 49 1HE2 GLN 49 5.891 1.134 -6.932 406 H VAL 50 H VAL 50 2.764 -0.276 -1.683 407 HA VAL 50 HA VAL 50 3.880 -2.072 0.361 408 HB VAL 50 HB VAL 50 2.836 0.709 0.961 409 1HG1 VAL 50 1HG1 VAL 50 3.865 -1.501 2.768 410 2HG1 VAL 50 2HG1 VAL 50 3.538 0.150 3.292 411 3HG1 VAL 50 3HG1 VAL 50 2.218 -0.872 2.722 412 1HG2 VAL 50 1HG2 VAL 50 5.555 -0.508 0.723 413 2HG2 VAL 50 2HG2 VAL 50 5.012 1.114 0.294 414 3HG2 VAL 50 3HG2 VAL 50 5.293 0.697 1.984 415 H CYS 51 H CYS 51 2.401 -3.605 0.536 416 HA CYS 51 HA CYS 51 -0.372 -3.237 -0.102 417 1HB CYS 51 1HB CYS 51 0.941 -5.511 1.411 418 2HB CYS 51 2HB CYS 51 -0.643 -5.542 0.640 419 H ALA 52 H ALA 52 -2.077 -2.819 1.235 420 HA ALA 52 HA ALA 52 -1.986 -3.211 4.063 421 1HB ALA 52 1HB ALA 52 -0.565 -1.041 3.498 422 2HB ALA 52 2HB ALA 52 -2.166 -0.303 3.424 423 3HB ALA 52 3HB ALA 52 -1.630 -1.100 4.904 424 H ASP 53 H ASP 53 -4.004 -3.535 4.695 425 HA ASP 53 HA ASP 53 -6.224 -3.135 2.969 426 1HB ASP 53 1HB ASP 53 -5.816 -4.087 5.753 427 2HB ASP 53 2HB ASP 53 -7.417 -3.451 5.376 428 H LYS 54 H LYS 54 -8.262 -2.045 4.238 429 HA LYS 54 HA LYS 54 -7.438 0.766 4.577 430 1HB LYS 54 1HB LYS 54 -10.157 -0.420 3.959 431 2HB LYS 54 2HB LYS 54 -9.809 1.302 4.112 432 1HG LYS 54 1HG LYS 54 -9.518 1.135 1.844 433 2HG LYS 54 2HG LYS 54 -7.900 0.627 2.327 434 1HD LYS 54 1HD LYS 54 -8.770 -0.982 0.728 435 2HD LYS 54 2HD LYS 54 -8.706 -1.748 2.316 436 1HE LYS 54 1HE LYS 54 -11.007 -1.745 2.565 437 2HE LYS 54 2HE LYS 54 -11.222 -0.333 1.531 438 1HZ LYS 54 1HZ LYS 54 -10.555 -1.747 -0.368 439 2HZ LYS 54 2HZ LYS 54 -10.555 -3.093 0.667 440 3HZ LYS 54 3HZ LYS 54 -11.998 -2.251 0.372 441 H SER 55 H SER 55 -8.983 -1.920 6.184 442 HA SER 55 HA SER 55 -10.370 -0.635 8.230 443 1HB SER 55 1HB SER 55 -9.165 -3.301 7.853 444 2HB SER 55 2HB SER 55 -9.431 -2.823 9.526 445 HG SER 55 HG SER 55 -11.407 -3.422 9.110 446 H LYS 56 H LYS 56 -6.945 -0.934 7.730 447 HA LYS 56 HA LYS 56 -5.975 -0.656 10.343 448 1HB LYS 56 1HB LYS 56 -4.895 0.210 7.666 449 2HB LYS 56 2HB LYS 56 -4.017 0.534 9.162 450 1HG LYS 56 1HG LYS 56 -5.010 -2.231 8.443 451 2HG LYS 56 2HG LYS 56 -3.419 -1.644 7.954 452 1HD LYS 56 1HD LYS 56 -3.101 -1.041 10.456 453 2HD LYS 56 2HD LYS 56 -4.468 -2.118 10.741 454 1HE LYS 56 1HE LYS 56 -1.953 -2.899 9.239 455 2HE LYS 56 2HE LYS 56 -2.268 -3.285 10.931 456 1HZ LYS 56 1HZ LYS 56 -4.441 -4.274 10.013 457 2HZ LYS 56 2HZ LYS 56 -3.632 -4.283 8.519 458 3HZ LYS 56 3HZ LYS 56 -3.000 -5.157 9.828 459 H ASP 57 H ASP 57 -4.596 1.501 10.808 460 HA ASP 57 HA ASP 57 -6.614 3.650 10.908 461 1HB ASP 57 1HB ASP 57 -4.363 2.827 12.691 462 2HB ASP 57 2HB ASP 57 -4.819 4.531 12.648 463 H TRP 58 H TRP 58 -3.107 3.188 10.456 464 HA TRP 58 HA TRP 58 -2.655 5.851 9.568 465 1HB TRP 58 1HB TRP 58 -0.447 5.047 8.835 466 2HB TRP 58 2HB TRP 58 -0.821 4.534 10.476 467 HD1 TRP 58 HD1 TRP 58 -1.461 1.942 10.841 468 HE1 TRP 58 HE1 TRP 58 -0.818 -0.151 9.483 469 HE3 TRP 58 HE3 TRP 58 0.002 4.137 6.478 470 HZ2 TRP 58 HZ2 TRP 58 0.189 -0.811 6.872 471 HZ3 TRP 58 HZ3 TRP 58 0.797 2.764 4.577 472 HH2 TRP 58 HH2 TRP 58 0.891 0.298 4.770 473 H VAL 59 H VAL 59 -3.706 2.955 7.954 474 HA VAL 59 HA VAL 59 -3.101 3.904 5.298 475 HB VAL 59 HB VAL 59 -4.973 1.692 6.178 476 1HG1 VAL 59 1HG1 VAL 59 -4.033 2.729 3.544 477 2HG1 VAL 59 2HG1 VAL 59 -4.109 0.977 3.730 478 3HG1 VAL 59 3HG1 VAL 59 -5.559 1.952 3.965 479 1HG2 VAL 59 1HG2 VAL 59 -2.061 1.657 5.323 480 2HG2 VAL 59 2HG2 VAL 59 -2.666 1.330 6.947 481 3HG2 VAL 59 3HG2 VAL 59 -3.045 0.225 5.625 482 H LYS 60 H LYS 60 -5.791 4.071 7.528 483 HA LYS 60 HA LYS 60 -7.788 4.873 5.676 484 1HB LYS 60 1HB LYS 60 -8.082 4.086 8.116 485 2HB LYS 60 2HB LYS 60 -7.709 5.752 8.556 486 1HG LYS 60 1HG LYS 60 -9.543 6.508 7.020 487 2HG LYS 60 2HG LYS 60 -9.966 4.816 6.763 488 1HD LYS 60 1HD LYS 60 -10.096 4.677 9.352 489 2HD LYS 60 2HD LYS 60 -10.170 6.439 9.294 490 1HE LYS 60 1HE LYS 60 -12.047 6.063 7.523 491 2HE LYS 60 2HE LYS 60 -12.128 4.434 8.195 492 1HZ LYS 60 1HZ LYS 60 -12.302 5.559 10.428 493 2HZ LYS 60 2HZ LYS 60 -12.577 7.006 9.588 494 3HZ LYS 60 3HZ LYS 60 -13.655 5.705 9.412 495 H LYS 61 H LYS 61 -5.561 6.694 7.765 496 HA LYS 61 HA LYS 61 -6.490 9.274 7.079 497 1HB LYS 61 1HB LYS 61 -4.782 8.464 8.931 498 2HB LYS 61 2HB LYS 61 -3.594 8.822 7.677 499 1HG LYS 61 1HG LYS 61 -4.142 11.094 7.616 500 2HG LYS 61 2HG LYS 61 -5.742 10.826 8.309 501 1HD LYS 61 1HD LYS 61 -4.258 9.920 10.355 502 2HD LYS 61 2HD LYS 61 -3.103 11.065 9.672 503 1HE LYS 61 1HE LYS 61 -4.282 12.465 11.098 504 2HE LYS 61 2HE LYS 61 -5.217 12.662 9.614 505 1HZ LYS 61 1HZ LYS 61 -6.546 10.672 10.508 506 2HZ LYS 61 2HZ LYS 61 -5.860 11.067 12.008 507 3HZ LYS 61 3HZ LYS 61 -6.821 12.204 11.188 508 H LEU 62 H LEU 62 -3.980 7.204 5.679 509 HA LEU 62 HA LEU 62 -2.994 9.061 3.788 510 1HB LEU 62 1HB LEU 62 -3.137 6.056 3.609 511 2HB LEU 62 2HB LEU 62 -2.194 7.086 2.557 512 HG LEU 62 HG LEU 62 -1.728 7.155 5.519 513 1HD1 LEU 62 1HD1 LEU 62 -1.100 4.971 3.586 514 2HD1 LEU 62 2HD1 LEU 62 0.166 5.430 4.726 515 3HD1 LEU 62 3HD1 LEU 62 -1.402 4.887 5.321 516 1HD2 LEU 62 1HD2 LEU 62 -0.045 7.600 3.034 517 2HD2 LEU 62 2HD2 LEU 62 -0.613 8.834 4.156 518 3HD2 LEU 62 3HD2 LEU 62 0.589 7.653 4.679 519 H MET 63 H MET 63 -5.520 6.597 3.613 520 HA MET 63 HA MET 63 -6.222 6.778 0.929 521 1HB MET 63 1HB MET 63 -7.807 6.171 3.406 522 2HB MET 63 2HB MET 63 -8.613 6.281 1.841 523 1HG MET 63 1HG MET 63 -6.504 4.718 1.163 524 2HG MET 63 2HG MET 63 -6.698 4.242 2.849 525 1HE MET 63 1HE MET 63 -7.102 3.533 -0.320 526 2HE MET 63 2HE MET 63 -7.460 1.929 0.313 527 3HE MET 63 3HE MET 63 -8.644 2.770 -0.695 528 H GLN 64 H GLN 64 -7.053 8.899 3.604 529 HA GLN 64 HA GLN 64 -8.849 10.508 1.970 530 1HB GLN 64 1HB GLN 64 -7.802 10.984 4.772 531 2HB GLN 64 2HB GLN 64 -9.088 11.895 3.979 532 1HG GLN 64 1HG GLN 64 -10.184 9.534 3.647 533 2HG GLN 64 2HG GLN 64 -9.113 9.056 4.964 534 2HE2 GLN 64 2HE2 GLN 64 -9.335 10.301 7.041 535 1HE2 GLN 64 1HE2 GLN 64 -10.827 11.020 7.416 536 H GLN 65 H GLN 65 -5.543 10.565 3.123 537 HA GLN 65 HA GLN 65 -5.023 13.305 2.470 538 1HB GLN 65 1HB GLN 65 -3.384 10.940 3.258 539 2HB GLN 65 2HB GLN 65 -2.567 12.310 2.509 540 1HG GLN 65 1HG GLN 65 -4.510 13.065 4.599 541 2HG GLN 65 2HG GLN 65 -3.151 12.112 5.190 542 2HE2 GLN 65 2HE2 GLN 65 -4.053 15.190 3.706 543 1HE2 GLN 65 1HE2 GLN 65 -2.537 15.929 3.897 544 H LEU 66 H LEU 66 -4.574 10.213 0.824 545 HA LEU 66 HA LEU 66 -3.676 11.662 -1.590 546 1HB LEU 66 1HB LEU 66 -3.516 8.694 -1.270 547 2HB LEU 66 2HB LEU 66 -2.555 9.746 -2.287 548 HG LEU 66 HG LEU 66 -2.352 9.689 0.732 549 1HD1 LEU 66 1HD1 LEU 66 -1.669 7.596 -0.837 550 2HD1 LEU 66 2HD1 LEU 66 -0.206 8.568 -0.995 551 3HD1 LEU 66 3HD1 LEU 66 -0.753 8.051 0.601 552 1HD2 LEU 66 1HD2 LEU 66 -1.048 11.179 -1.492 553 2HD2 LEU 66 2HD2 LEU 66 -1.347 11.678 0.173 554 3HD2 LEU 66 3HD2 LEU 66 0.011 10.616 -0.199 555 HA PRO 67 HA PRO 67 -7.581 10.515 -3.336 556 1HB PRO 67 1HB PRO 67 -7.036 10.956 -5.984 557 2HB PRO 67 2HB PRO 67 -7.327 12.247 -4.807 558 1HG PRO 67 1HG PRO 67 -4.782 11.370 -6.044 559 2HG PRO 67 2HG PRO 67 -5.238 12.956 -5.405 560 1HD PRO 67 1HD PRO 67 -3.613 11.031 -4.106 561 2HD PRO 67 2HD PRO 67 -4.316 12.489 -3.367 562 H VAL 68 H VAL 68 -5.563 9.506 -6.076 563 HA VAL 68 HA VAL 68 -5.177 6.833 -5.540 564 HB VAL 68 HB VAL 68 -7.951 7.290 -5.749 565 1HG1 VAL 68 1HG1 VAL 68 -6.978 5.887 -8.250 566 2HG1 VAL 68 2HG1 VAL 68 -8.649 5.924 -7.685 567 3HG1 VAL 68 3HG1 VAL 68 -7.854 7.417 -8.190 568 1HG2 VAL 68 1HG2 VAL 68 -6.549 5.435 -4.652 569 2HG2 VAL 68 2HG2 VAL 68 -8.117 4.978 -5.318 570 3HG2 VAL 68 3HG2 VAL 68 -6.639 4.618 -6.212 571 H THR 69 H THR 69 -3.955 5.963 -7.128 572 HA THR 69 HA THR 69 -3.233 7.654 -9.346 573 HB THR 69 HB THR 69 -1.506 6.319 -8.280 574 HG1 THR 69 HG1 THR 69 -1.380 6.655 -10.549 575 1HG2 THR 69 1HG2 THR 69 -3.349 4.037 -8.989 576 2HG2 THR 69 2HG2 THR 69 -1.635 3.778 -8.666 577 3HG2 THR 69 3HG2 THR 69 -2.677 4.451 -7.412 578 H ALA 70 H ALA 70 -3.217 6.918 -11.586 579 HA ALA 70 HA ALA 70 -4.994 4.788 -12.387 580 1HB ALA 70 1HB ALA 70 -5.853 7.440 -13.441 581 2HB ALA 70 2HB ALA 70 -6.367 7.002 -11.812 582 3HB ALA 70 3HB ALA 70 -6.796 5.973 -13.178 583 H ARG 71 H ARG 71 -2.231 5.593 -12.794 584 HA ARG 71 HA ARG 71 -0.676 5.661 -14.487 585 1HB ARG 71 1HB ARG 71 -3.001 4.937 -16.285 586 2HB ARG 71 2HB ARG 71 -1.286 4.725 -16.638 587 1HG ARG 71 1HG ARG 71 -1.714 2.610 -15.855 588 2HG ARG 71 2HG ARG 71 -1.403 3.390 -14.303 589 1HD ARG 71 1HD ARG 71 -3.632 3.425 -13.715 590 2HD ARG 71 2HD ARG 71 -4.180 3.527 -15.385 591 HE ARG 71 HE ARG 71 -4.247 1.211 -15.445 592 1HH1 ARG 71 1HH1 ARG 71 -2.299 2.246 -12.728 593 2HH1 ARG 71 2HH1 ARG 71 -2.132 0.645 -12.093 594 1HH2 ARG 71 1HH2 ARG 71 -4.005 -0.859 -14.583 595 2HH2 ARG 71 2HH2 ARG 71 -3.089 -1.098 -13.133 No H/Q in entry = 595 Start of MODEL 37 1 H1 LEU 1 H1 LEU 1 -19.376 -3.583 -27.491 2 H2 LEU 1 H2 LEU 1 -20.101 -3.119 -28.952 3 H3 LEU 1 H3 LEU 1 -19.144 -4.522 -28.887 4 HA LEU 1 HA LEU 1 -17.167 -3.348 -28.723 5 1HB LEU 1 1HB LEU 1 -19.137 -1.957 -30.543 6 2HB LEU 1 2HB LEU 1 -17.434 -1.499 -30.498 7 HG LEU 1 HG LEU 1 -18.253 -4.378 -30.858 8 1HD1 LEU 1 1HD1 LEU 1 -18.173 -2.157 -32.888 9 2HD1 LEU 1 2HD1 LEU 1 -17.773 -3.807 -33.363 10 3HD1 LEU 1 3HD1 LEU 1 -19.367 -3.441 -32.700 11 1HD2 LEU 1 1HD2 LEU 1 -15.797 -2.693 -31.333 12 2HD2 LEU 1 2HD2 LEU 1 -15.946 -4.183 -30.401 13 3HD2 LEU 1 3HD2 LEU 1 -16.007 -4.235 -32.163 14 H GLY 2 H GLY 2 -16.121 -1.994 -27.417 15 1HA GLY 2 1HA GLY 2 -16.936 0.697 -26.920 16 2HA GLY 2 2HA GLY 2 -15.625 -0.155 -26.109 17 H ALA 3 H ALA 3 -16.441 -1.921 -24.552 18 HA ALA 3 HA ALA 3 -18.107 -0.646 -22.596 19 1HB ALA 3 1HB ALA 3 -19.227 -2.889 -24.250 20 2HB ALA 3 2HB ALA 3 -19.708 -2.705 -22.564 21 3HB ALA 3 3HB ALA 3 -20.012 -1.403 -23.714 22 H SER 4 H SER 4 -18.680 -2.455 -20.843 23 HA SER 4 HA SER 4 -17.835 -3.857 -19.229 24 1HB SER 4 1HB SER 4 -17.858 -5.482 -21.144 25 2HB SER 4 2HB SER 4 -16.184 -5.043 -21.470 26 HG SER 4 HG SER 4 -16.444 -6.900 -20.091 27 H TRP 5 H TRP 5 -15.775 -4.531 -18.125 28 HA TRP 5 HA TRP 5 -13.394 -3.006 -18.802 29 1HB TRP 5 1HB TRP 5 -13.305 -1.909 -16.554 30 2HB TRP 5 2HB TRP 5 -14.601 -1.300 -17.582 31 HD1 TRP 5 HD1 TRP 5 -17.071 -1.762 -16.866 32 HE1 TRP 5 HE1 TRP 5 -18.141 -2.710 -14.721 33 HE3 TRP 5 HE3 TRP 5 -12.922 -3.669 -14.579 34 HZ2 TRP 5 HZ2 TRP 5 -17.343 -4.094 -12.348 35 HZ3 TRP 5 HZ3 TRP 5 -13.105 -4.796 -12.379 36 HH2 TRP 5 HH2 TRP 5 -15.309 -5.010 -11.261 37 H HIS 6 H HIS 6 -11.554 -3.853 -17.910 38 HA HIS 6 HA HIS 6 -11.925 -6.277 -16.253 39 1HB HIS 6 1HB HIS 6 -9.712 -6.993 -17.177 40 2HB HIS 6 2HB HIS 6 -10.971 -6.846 -18.402 41 HD1 HIS 6 HD1 HIS 6 -10.064 -5.759 -20.445 42 HD2 HIS 6 HD2 HIS 6 -8.361 -4.160 -16.991 43 HE1 HIS 6 HE1 HIS 6 -8.475 -3.940 -21.206 44 H ARG 7 H ARG 7 -9.655 -6.779 -15.147 45 HA ARG 7 HA ARG 7 -8.456 -4.347 -14.037 46 1HB ARG 7 1HB ARG 7 -10.186 -6.247 -12.527 47 2HB ARG 7 2HB ARG 7 -8.738 -5.645 -11.720 48 1HG ARG 7 1HG ARG 7 -9.447 -3.314 -12.285 49 2HG ARG 7 2HG ARG 7 -10.947 -3.969 -12.945 50 1HD ARG 7 1HD ARG 7 -11.787 -4.509 -10.876 51 2HD ARG 7 2HD ARG 7 -10.195 -4.825 -10.195 52 HE ARG 7 HE ARG 7 -10.464 -2.056 -10.762 53 1HH1 ARG 7 1HH1 ARG 7 -11.592 -4.515 -8.540 54 2HH1 ARG 7 2HH1 ARG 7 -11.853 -3.392 -7.251 55 1HH2 ARG 7 1HH2 ARG 7 -10.819 -0.625 -9.054 56 2HH2 ARG 7 2HH2 ARG 7 -11.419 -1.208 -7.537 57 HA PRO 8 HA PRO 8 -4.894 -6.956 -13.913 58 1HB PRO 8 1HB PRO 8 -3.460 -5.872 -11.856 59 2HB PRO 8 2HB PRO 8 -3.670 -5.086 -13.429 60 1HG PRO 8 1HG PRO 8 -4.896 -4.424 -10.821 61 2HG PRO 8 2HG PRO 8 -4.597 -3.386 -12.223 62 1HD PRO 8 1HD PRO 8 -7.083 -4.553 -11.468 63 2HD PRO 8 2HD PRO 8 -6.727 -3.691 -12.984 64 H ASP 9 H ASP 9 -3.520 -8.417 -12.551 65 HA ASP 9 HA ASP 9 -5.022 -9.498 -10.240 66 1HB ASP 9 1HB ASP 9 -5.168 -10.930 -12.312 67 2HB ASP 9 2HB ASP 9 -3.420 -11.147 -12.204 68 H LYS 10 H LYS 10 -3.666 -8.253 -8.856 69 HA LYS 10 HA LYS 10 -0.853 -9.153 -8.750 70 1HB LYS 10 1HB LYS 10 -1.445 -6.645 -8.967 71 2HB LYS 10 2HB LYS 10 -1.940 -6.765 -7.278 72 1HG LYS 10 1HG LYS 10 0.224 -7.232 -6.538 73 2HG LYS 10 2HG LYS 10 0.740 -7.836 -8.113 74 1HD LYS 10 1HD LYS 10 -0.112 -4.982 -7.963 75 2HD LYS 10 2HD LYS 10 1.440 -5.402 -7.235 76 1HE LYS 10 1HE LYS 10 2.016 -4.906 -9.462 77 2HE LYS 10 2HE LYS 10 1.890 -6.665 -9.463 78 1HZ LYS 10 1HZ LYS 10 -0.475 -5.023 -10.073 79 2HZ LYS 10 2HZ LYS 10 0.688 -5.306 -11.279 80 3HZ LYS 10 3HZ LYS 10 -0.121 -6.611 -10.552 81 H CYS 11 H CYS 11 -3.654 -8.374 -6.724 82 HA CYS 11 HA CYS 11 -4.329 -9.136 -4.663 83 1HB CYS 11 1HB CYS 11 -2.566 -11.491 -5.359 84 2HB CYS 11 2HB CYS 11 -3.830 -11.469 -4.132 85 H CYS 12 H CYS 12 -3.548 -9.756 -2.468 86 HA CYS 12 HA CYS 12 -0.808 -8.727 -2.009 87 1HB CYS 12 1HB CYS 12 -3.371 -8.337 -0.499 88 2HB CYS 12 2HB CYS 12 -1.838 -8.294 0.371 89 H LEU 13 H LEU 13 0.353 -9.665 -0.226 90 HA LEU 13 HA LEU 13 -0.517 -12.430 0.384 91 1HB LEU 13 1HB LEU 13 1.860 -12.986 0.629 92 2HB LEU 13 2HB LEU 13 1.468 -12.445 -0.988 93 HG LEU 13 HG LEU 13 2.278 -10.098 0.091 94 1HD1 LEU 13 1HD1 LEU 13 3.357 -12.288 1.782 95 2HD1 LEU 13 2HD1 LEU 13 4.525 -11.074 1.260 96 3HD1 LEU 13 3HD1 LEU 13 3.096 -10.589 2.172 97 1HD2 LEU 13 1HD2 LEU 13 3.723 -12.328 -1.309 98 2HD2 LEU 13 2HD2 LEU 13 3.278 -10.733 -1.916 99 3HD2 LEU 13 3HD2 LEU 13 4.633 -10.907 -0.800 100 H GLY 14 H GLY 14 1.090 -9.541 1.597 101 1HA GLY 14 1HA GLY 14 1.884 -10.004 4.096 102 2HA GLY 14 2HA GLY 14 0.138 -10.125 4.293 103 H TYR 15 H TYR 15 0.011 -8.278 5.588 104 HA TYR 15 HA TYR 15 0.013 -5.780 4.081 105 1HB TYR 15 1HB TYR 15 -0.891 -6.345 6.914 106 2HB TYR 15 2HB TYR 15 -1.123 -4.833 6.040 107 HD1 TYR 15 HD1 TYR 15 -2.653 -4.693 4.142 108 HD2 TYR 15 HD2 TYR 15 -2.181 -8.342 6.346 109 HE1 TYR 15 HE1 TYR 15 -4.711 -5.574 3.101 110 HE2 TYR 15 HE2 TYR 15 -4.246 -9.237 5.299 111 HH TYR 15 HH TYR 15 -6.488 -7.378 3.780 112 H GLN 16 H GLN 16 0.817 -3.802 5.156 113 HA GLN 16 HA GLN 16 3.576 -3.945 5.636 114 1HB GLN 16 1HB GLN 16 2.426 -1.881 4.894 115 2HB GLN 16 2HB GLN 16 1.666 -1.747 6.472 116 1HG GLN 16 1HG GLN 16 3.690 -0.293 6.225 117 2HG GLN 16 2HG GLN 16 3.824 -1.445 7.547 118 2HE2 GLN 16 2HE2 GLN 16 4.217 -2.439 4.150 119 1HE2 GLN 16 1HE2 GLN 16 5.876 -2.764 4.268 120 H LYS 17 H LYS 17 0.920 -3.410 7.918 121 HA LYS 17 HA LYS 17 0.673 -4.136 10.109 122 1HB LYS 17 1HB LYS 17 3.618 -4.811 10.218 123 2HB LYS 17 2HB LYS 17 2.352 -5.317 11.332 124 1HG LYS 17 1HG LYS 17 1.864 -6.027 8.501 125 2HG LYS 17 2HG LYS 17 3.238 -6.842 9.245 126 1HD LYS 17 1HD LYS 17 1.907 -7.856 10.894 127 2HD LYS 17 2HD LYS 17 0.598 -6.692 10.685 128 1HE LYS 17 1HE LYS 17 0.587 -7.702 8.215 129 2HE LYS 17 2HE LYS 17 1.278 -9.096 9.046 130 1HZ LYS 17 1HZ LYS 17 -1.175 -7.725 9.983 131 2HZ LYS 17 2HZ LYS 17 -1.214 -9.028 8.898 132 3HZ LYS 17 3HZ LYS 17 -0.580 -9.244 10.459 133 H ARG 18 H ARG 18 3.635 -2.361 9.288 134 HA ARG 18 HA ARG 18 3.276 -0.706 11.693 135 1HB ARG 18 1HB ARG 18 5.598 -0.761 9.747 136 2HB ARG 18 2HB ARG 18 5.536 0.093 11.289 137 1HG ARG 18 1HG ARG 18 5.060 -2.876 11.186 138 2HG ARG 18 2HG ARG 18 6.705 -2.240 11.197 139 1HD ARG 18 1HD ARG 18 5.923 -0.830 13.225 140 2HD ARG 18 2HD ARG 18 4.565 -1.948 13.299 141 HE ARG 18 HE ARG 18 6.945 -3.451 13.169 142 1HH1 ARG 18 1HH1 ARG 18 5.268 -1.283 15.346 143 2HH1 ARG 18 2HH1 ARG 18 5.942 -2.004 16.766 144 1HH2 ARG 18 1HH2 ARG 18 7.802 -4.362 15.046 145 2HH2 ARG 18 2HH2 ARG 18 7.365 -3.732 16.600 146 HA PRO 19 HA PRO 19 1.779 2.551 9.100 147 1HB PRO 19 1HB PRO 19 2.104 4.662 10.802 148 2HB PRO 19 2HB PRO 19 0.842 3.436 10.982 149 1HG PRO 19 1HG PRO 19 3.288 3.845 12.575 150 2HG PRO 19 2HG PRO 19 1.782 3.027 13.012 151 1HD PRO 19 1HD PRO 19 4.244 1.801 12.226 152 2HD PRO 19 2HD PRO 19 2.688 0.995 12.529 153 H LEU 20 H LEU 20 2.586 3.749 7.479 154 HA LEU 20 HA LEU 20 5.383 4.683 7.684 155 1HB LEU 20 1HB LEU 20 4.030 4.701 5.054 156 2HB LEU 20 2HB LEU 20 5.676 4.279 5.466 157 HG LEU 20 HG LEU 20 3.221 2.525 5.686 158 1HD1 LEU 20 1HD1 LEU 20 5.659 2.649 3.927 159 2HD1 LEU 20 2HD1 LEU 20 4.845 1.108 4.198 160 3HD1 LEU 20 3HD1 LEU 20 3.968 2.452 3.466 161 1HD2 LEU 20 1HD2 LEU 20 5.898 2.366 6.970 162 2HD2 LEU 20 2HD2 LEU 20 4.359 1.683 7.490 163 3HD2 LEU 20 3HD2 LEU 20 5.300 0.879 6.235 164 HA PRO 21 HA PRO 21 3.878 8.840 7.405 165 1HB PRO 21 1HB PRO 21 6.120 10.103 6.477 166 2HB PRO 21 2HB PRO 21 5.948 9.496 8.133 167 1HG PRO 21 1HG PRO 21 7.562 8.419 5.903 168 2HG PRO 21 2HG PRO 21 7.787 8.237 7.649 169 1HD PRO 21 1HD PRO 21 6.669 6.315 5.863 170 2HD PRO 21 2HD PRO 21 6.714 6.223 7.639 171 H GLN 22 H GLN 22 2.694 9.979 5.957 172 HA GLN 22 HA GLN 22 2.576 9.233 3.216 173 1HB GLN 22 1HB GLN 22 0.712 10.263 4.624 174 2HB GLN 22 2HB GLN 22 1.509 11.813 4.358 175 1HG GLN 22 1HG GLN 22 1.074 10.131 1.946 176 2HG GLN 22 2HG GLN 22 -0.370 10.829 2.681 177 2HE2 GLN 22 2HE2 GLN 22 1.693 11.487 0.257 178 1HE2 GLN 22 1HE2 GLN 22 1.748 13.181 0.341 179 H VAL 23 H VAL 23 4.701 11.324 4.891 180 HA VAL 23 HA VAL 23 5.175 13.385 3.109 181 HB VAL 23 HB VAL 23 6.172 13.236 5.364 182 1HG1 VAL 23 1HG1 VAL 23 6.839 10.694 4.737 183 2HG1 VAL 23 2HG1 VAL 23 8.375 11.490 4.400 184 3HG1 VAL 23 3HG1 VAL 23 7.652 11.613 6.004 185 1HG2 VAL 23 1HG2 VAL 23 7.225 14.465 3.235 186 2HG2 VAL 23 2HG2 VAL 23 8.026 14.479 4.807 187 3HG2 VAL 23 3HG2 VAL 23 8.545 13.342 3.562 188 H LEU 24 H LEU 24 6.245 10.059 2.971 189 HA LEU 24 HA LEU 24 7.804 10.612 0.533 190 1HB LEU 24 1HB LEU 24 8.660 8.358 0.786 191 2HB LEU 24 2HB LEU 24 8.886 9.259 2.269 192 HG LEU 24 HG LEU 24 6.639 8.108 2.983 193 1HD1 LEU 24 1HD1 LEU 24 7.194 6.865 0.421 194 2HD1 LEU 24 2HD1 LEU 24 7.197 5.656 1.703 195 3HD1 LEU 24 3HD1 LEU 24 5.784 6.682 1.463 196 1HD2 LEU 24 1HD2 LEU 24 8.910 7.759 3.963 197 2HD2 LEU 24 2HD2 LEU 24 7.929 6.292 3.959 198 3HD2 LEU 24 3HD2 LEU 24 9.200 6.506 2.755 199 H LEU 25 H LEU 25 5.008 8.932 1.781 200 HA LEU 25 HA LEU 25 4.406 7.261 -0.370 201 1HB LEU 25 1HB LEU 25 3.262 7.716 2.013 202 2HB LEU 25 2HB LEU 25 2.143 8.594 0.997 203 HG LEU 25 HG LEU 25 1.580 6.591 -0.224 204 1HD1 LEU 25 1HD1 LEU 25 3.976 5.495 1.219 205 2HD1 LEU 25 2HD1 LEU 25 2.680 4.399 0.742 206 3HD1 LEU 25 3HD1 LEU 25 3.534 5.339 -0.481 207 1HD2 LEU 25 1HD2 LEU 25 1.575 6.537 2.763 208 2HD2 LEU 25 2HD2 LEU 25 0.216 6.570 1.640 209 3HD2 LEU 25 3HD2 LEU 25 1.090 5.065 1.922 210 H SER 26 H SER 26 2.966 7.433 -2.100 211 HA SER 26 HA SER 26 2.589 10.205 -3.076 212 1HB SER 26 1HB SER 26 4.151 8.377 -4.277 213 2HB SER 26 2HB SER 26 2.610 7.963 -5.023 214 HG SER 26 HG SER 26 2.600 9.822 -6.038 215 H SER 27 H SER 27 1.294 6.973 -3.901 216 HA SER 27 HA SER 27 -1.428 7.939 -3.377 217 1HB SER 27 1HB SER 27 -0.372 7.974 -5.970 218 2HB SER 27 2HB SER 27 -1.358 6.518 -5.913 219 HG SER 27 HG SER 27 -2.076 9.207 -5.526 220 H TRP 28 H TRP 28 -2.781 5.808 -4.580 221 HA TRP 28 HA TRP 28 -1.642 3.290 -3.712 222 1HB TRP 28 1HB TRP 28 -3.569 2.826 -2.141 223 2HB TRP 28 2HB TRP 28 -2.400 4.000 -1.547 224 HD1 TRP 28 HD1 TRP 28 -3.113 6.567 -1.530 225 HE1 TRP 28 HE1 TRP 28 -5.423 7.710 -1.546 226 HE3 TRP 28 HE3 TRP 28 -6.034 2.630 -2.995 227 HZ2 TRP 28 HZ2 TRP 28 -8.148 7.040 -2.121 228 HZ3 TRP 28 HZ3 TRP 28 -8.476 2.917 -3.267 229 HH2 TRP 28 HH2 TRP 28 -9.538 5.113 -2.829 230 H TYR 29 H TYR 29 -2.562 1.606 -4.776 231 HA TYR 29 HA TYR 29 -5.027 2.209 -6.302 232 1HB TYR 29 1HB TYR 29 -4.262 0.781 -8.104 233 2HB TYR 29 2HB TYR 29 -3.047 2.009 -7.785 234 HD1 TYR 29 HD1 TYR 29 -1.032 1.371 -6.313 235 HD2 TYR 29 HD2 TYR 29 -3.741 -1.511 -7.992 236 HE1 TYR 29 HE1 TYR 29 0.668 -0.405 -6.012 237 HE2 TYR 29 HE2 TYR 29 -2.039 -3.287 -7.688 238 HH TYR 29 HH TYR 29 0.882 -3.014 -7.474 239 HA PRO 30 HA PRO 30 -6.643 -1.290 -4.122 240 1HB PRO 30 1HB PRO 30 -8.961 -1.622 -5.528 241 2HB PRO 30 2HB PRO 30 -8.698 -0.322 -4.355 242 1HG PRO 30 1HG PRO 30 -8.785 -0.195 -7.309 243 2HG PRO 30 2HG PRO 30 -9.125 1.066 -6.115 244 1HD PRO 30 1HD PRO 30 -6.739 0.770 -7.632 245 2HD PRO 30 2HD PRO 30 -7.000 1.882 -6.267 246 H THR 31 H THR 31 -6.980 -3.525 -4.286 247 HA THR 31 HA THR 31 -6.054 -4.727 -6.821 248 HB THR 31 HB THR 31 -4.612 -5.244 -4.925 249 HG1 THR 31 HG1 THR 31 -4.956 -6.895 -6.417 250 1HG2 THR 31 1HG2 THR 31 -7.142 -6.311 -3.645 251 2HG2 THR 31 2HG2 THR 31 -5.516 -6.527 -2.997 252 3HG2 THR 31 3HG2 THR 31 -6.214 -4.912 -3.109 253 H SER 32 H SER 32 -6.879 -7.151 -6.889 254 HA SER 32 HA SER 32 -9.711 -6.983 -7.302 255 1HB SER 32 1HB SER 32 -7.813 -8.493 -8.448 256 2HB SER 32 2HB SER 32 -8.382 -9.643 -7.240 257 HG SER 32 HG SER 32 -10.156 -9.864 -8.340 258 H GLN 33 H GLN 33 -11.329 -8.285 -6.319 259 HA GLN 33 HA GLN 33 -10.925 -8.603 -3.452 260 1HB GLN 33 1HB GLN 33 -13.275 -8.512 -5.284 261 2HB GLN 33 2HB GLN 33 -13.455 -9.388 -3.764 262 1HG GLN 33 1HG GLN 33 -12.246 -7.180 -2.823 263 2HG GLN 33 2HG GLN 33 -13.037 -6.476 -4.235 264 2HE2 GLN 33 2HE2 GLN 33 -13.542 -7.380 -0.988 265 1HE2 GLN 33 1HE2 GLN 33 -15.238 -7.333 -0.990 266 H LEU 34 H LEU 34 -11.326 -10.580 -6.310 267 HA LEU 34 HA LEU 34 -12.025 -13.029 -5.156 268 1HB LEU 34 1HB LEU 34 -10.388 -12.372 -7.592 269 2HB LEU 34 2HB LEU 34 -10.753 -14.020 -7.133 270 HG LEU 34 HG LEU 34 -12.333 -13.430 -8.802 271 1HD1 LEU 34 1HD1 LEU 34 -13.184 -14.426 -6.540 272 2HD1 LEU 34 2HD1 LEU 34 -13.927 -12.841 -6.319 273 3HD1 LEU 34 3HD1 LEU 34 -14.365 -13.835 -7.710 274 1HD2 LEU 34 1HD2 LEU 34 -11.877 -10.907 -8.404 275 2HD2 LEU 34 2HD2 LEU 34 -13.492 -11.378 -8.932 276 3HD2 LEU 34 3HD2 LEU 34 -13.193 -11.000 -7.235 277 H CYS 35 H CYS 35 -9.011 -11.301 -5.095 278 HA CYS 35 HA CYS 35 -7.190 -13.391 -4.665 279 1HB CYS 35 1HB CYS 35 -7.099 -10.657 -3.367 280 2HB CYS 35 2HB CYS 35 -5.739 -11.740 -3.652 281 H SER 36 H SER 36 -6.685 -14.642 -2.946 282 HA SER 36 HA SER 36 -8.505 -14.976 -0.814 283 1HB SER 36 1HB SER 36 -5.600 -15.822 -0.876 284 2HB SER 36 2HB SER 36 -6.871 -16.493 0.143 285 HG SER 36 HG SER 36 -6.245 -17.517 -2.023 286 H LYS 37 H LYS 37 -5.538 -13.143 -1.147 287 HA LYS 37 HA LYS 37 -5.982 -11.986 1.543 288 1HB LYS 37 1HB LYS 37 -3.498 -12.853 0.144 289 2HB LYS 37 2HB LYS 37 -3.406 -11.379 1.108 290 1HG LYS 37 1HG LYS 37 -4.554 -13.973 2.164 291 2HG LYS 37 2HG LYS 37 -2.861 -13.515 2.363 292 1HD LYS 37 1HD LYS 37 -4.875 -11.462 3.120 293 2HD LYS 37 2HD LYS 37 -4.768 -12.876 4.169 294 1HE LYS 37 1HE LYS 37 -2.226 -11.547 3.317 295 2HE LYS 37 2HE LYS 37 -3.198 -10.774 4.569 296 1HZ LYS 37 1HZ LYS 37 -3.174 -12.858 5.807 297 2HZ LYS 37 2HZ LYS 37 -2.202 -13.571 4.613 298 3HZ LYS 37 3HZ LYS 37 -1.599 -12.281 5.541 299 HA PRO 38 HA PRO 38 -6.470 -8.591 -1.504 300 1HB PRO 38 1HB PRO 38 -8.481 -7.302 -0.178 301 2HB PRO 38 2HB PRO 38 -8.742 -8.645 -1.303 302 1HG PRO 38 1HG PRO 38 -8.894 -8.615 1.656 303 2HG PRO 38 2HG PRO 38 -9.725 -9.659 0.494 304 1HD PRO 38 1HD PRO 38 -7.458 -10.354 2.039 305 2HD PRO 38 2HD PRO 38 -8.113 -11.270 0.662 306 H GLY 39 H GLY 39 -7.023 -6.069 -0.762 307 1HA GLY 39 1HA GLY 39 -4.860 -5.400 1.142 308 2HA GLY 39 2HA GLY 39 -6.400 -4.543 1.168 309 H VAL 40 H VAL 40 -5.740 -2.520 0.540 310 HA VAL 40 HA VAL 40 -5.105 -2.180 -2.256 311 HB VAL 40 HB VAL 40 -5.218 -0.067 -0.086 312 1HG1 VAL 40 1HG1 VAL 40 -4.221 0.177 -2.604 313 2HG1 VAL 40 2HG1 VAL 40 -5.923 0.520 -2.903 314 3HG1 VAL 40 3HG1 VAL 40 -5.019 1.486 -1.739 315 1HG2 VAL 40 1HG2 VAL 40 -7.336 -1.353 -1.800 316 2HG2 VAL 40 2HG2 VAL 40 -7.374 -1.013 -0.069 317 3HG2 VAL 40 3HG2 VAL 40 -7.525 0.305 -1.232 318 H ILE 41 H ILE 41 -3.213 -1.627 -3.158 319 HA ILE 41 HA ILE 41 -0.829 -1.773 -1.462 320 HB ILE 41 HB ILE 41 -1.269 -1.962 -4.448 321 1HG1 ILE 41 1HG1 ILE 41 -0.105 -4.191 -3.975 322 2HG1 ILE 41 2HG1 ILE 41 -0.339 -3.830 -2.265 323 1HG2 ILE 41 1HG2 ILE 41 1.377 -1.965 -2.959 324 2HG2 ILE 41 2HG2 ILE 41 1.167 -2.315 -4.673 325 3HG2 ILE 41 3HG2 ILE 41 0.825 -0.698 -4.057 326 1HD1 ILE 41 1HD1 ILE 41 -2.720 -3.528 -4.019 327 2HD1 ILE 41 2HD1 ILE 41 -2.165 -5.175 -3.722 328 3HD1 ILE 41 3HD1 ILE 41 -2.607 -4.136 -2.368 329 H PHE 42 H PHE 42 0.332 -0.040 -0.950 330 HA PHE 42 HA PHE 42 -0.477 2.561 -2.033 331 1HB PHE 42 1HB PHE 42 0.853 1.604 0.442 332 2HB PHE 42 2HB PHE 42 1.434 3.146 -0.185 333 HD1 PHE 42 HD1 PHE 42 -1.482 1.330 1.160 334 HD2 PHE 42 HD2 PHE 42 -0.006 5.098 -0.280 335 HE1 PHE 42 HE1 PHE 42 -3.482 2.468 2.085 336 HE2 PHE 42 HE2 PHE 42 -2.006 6.235 0.642 337 HZ PHE 42 HZ PHE 42 -3.742 4.920 1.829 338 H LEU 43 H LEU 43 0.646 3.533 -3.578 339 HA LEU 43 HA LEU 43 3.322 2.507 -4.252 340 1HB LEU 43 1HB LEU 43 1.454 4.324 -5.775 341 2HB LEU 43 2HB LEU 43 3.033 3.818 -6.336 342 HG LEU 43 HG LEU 43 0.945 1.766 -5.662 343 1HD1 LEU 43 1HD1 LEU 43 1.103 3.568 -8.062 344 2HD1 LEU 43 2HD1 LEU 43 0.537 1.908 -8.252 345 3HD1 LEU 43 3HD1 LEU 43 -0.320 3.016 -7.179 346 1HD2 LEU 43 1HD2 LEU 43 3.491 1.406 -6.250 347 2HD2 LEU 43 2HD2 LEU 43 2.269 0.355 -6.967 348 3HD2 LEU 43 3HD2 LEU 43 2.943 1.690 -7.903 349 H THR 44 H THR 44 4.757 3.518 -2.916 350 HA THR 44 HA THR 44 4.533 6.195 -2.026 351 HB THR 44 HB THR 44 6.861 5.970 -1.333 352 HG1 THR 44 HG1 THR 44 6.768 3.662 -2.975 353 1HG2 THR 44 1HG2 THR 44 4.943 3.714 -0.937 354 2HG2 THR 44 2HG2 THR 44 6.588 3.516 -0.330 355 3HG2 THR 44 3HG2 THR 44 5.592 4.855 0.241 356 H LYS 45 H LYS 45 6.214 7.891 -2.547 357 HA LYS 45 HA LYS 45 5.977 8.696 -5.227 358 1HB LYS 45 1HB LYS 45 7.827 9.565 -3.010 359 2HB LYS 45 2HB LYS 45 7.877 10.301 -4.612 360 1HG LYS 45 1HG LYS 45 5.796 11.281 -4.382 361 2HG LYS 45 2HG LYS 45 5.215 10.034 -3.277 362 1HD LYS 45 1HD LYS 45 5.544 11.673 -1.714 363 2HD LYS 45 2HD LYS 45 7.205 11.082 -1.772 364 1HE LYS 45 1HE LYS 45 7.426 12.791 -3.770 365 2HE LYS 45 2HE LYS 45 6.031 13.553 -3.005 366 1HZ LYS 45 1HZ LYS 45 8.432 12.814 -1.450 367 2HZ LYS 45 2HZ LYS 45 8.331 14.298 -2.265 368 3HZ LYS 45 3HZ LYS 45 7.208 13.921 -1.048 369 H ARG 46 H ARG 46 8.893 7.551 -3.519 370 HA ARG 46 HA ARG 46 9.898 6.528 -6.106 371 1HB ARG 46 1HB ARG 46 10.981 8.697 -5.139 372 2HB ARG 46 2HB ARG 46 11.756 7.583 -4.012 373 1HG ARG 46 1HG ARG 46 12.451 6.221 -6.063 374 2HG ARG 46 2HG ARG 46 11.961 7.615 -7.026 375 1HD ARG 46 1HD ARG 46 14.017 7.645 -4.801 376 2HD ARG 46 2HD ARG 46 14.375 7.691 -6.524 377 HE ARG 46 HE ARG 46 12.708 9.826 -6.156 378 1HH1 ARG 46 1HH1 ARG 46 15.674 8.767 -4.628 379 2HH1 ARG 46 2HH1 ARG 46 16.187 10.374 -4.250 380 1HH2 ARG 46 1HH2 ARG 46 13.415 11.906 -5.645 381 2HH2 ARG 46 2HH2 ARG 46 14.919 12.137 -4.820 382 H GLY 47 H GLY 47 8.905 5.631 -3.071 383 1HA GLY 47 1HA GLY 47 9.426 3.906 -1.626 384 2HA GLY 47 2HA GLY 47 10.999 3.777 -2.407 385 H ARG 48 H ARG 48 8.022 2.323 -1.969 386 HA ARG 48 HA ARG 48 7.978 0.865 -4.493 387 1HB ARG 48 1HB ARG 48 9.171 -0.225 -2.025 388 2HB ARG 48 2HB ARG 48 7.985 -1.281 -2.787 389 1HG ARG 48 1HG ARG 48 9.188 -1.275 -4.865 390 2HG ARG 48 2HG ARG 48 10.248 0.023 -4.316 391 1HD ARG 48 1HD ARG 48 10.096 -2.645 -2.907 392 2HD ARG 48 2HD ARG 48 11.220 -2.342 -4.227 393 HE ARG 48 HE ARG 48 11.525 -0.283 -2.336 394 1HH1 ARG 48 1HH1 ARG 48 12.040 -3.735 -2.614 395 2HH1 ARG 48 2HH1 ARG 48 13.347 -3.745 -1.482 396 1HH2 ARG 48 1HH2 ARG 48 13.233 -0.343 -0.865 397 2HH2 ARG 48 2HH2 ARG 48 14.017 -1.842 -0.497 398 H GLN 49 H GLN 49 6.395 -1.202 -3.945 399 HA GLN 49 HA GLN 49 3.861 0.047 -3.311 400 1HB GLN 49 1HB GLN 49 4.751 -2.580 -4.417 401 2HB GLN 49 2HB GLN 49 3.160 -2.496 -3.661 402 1HG GLN 49 1HG GLN 49 2.700 -1.945 -5.898 403 2HG GLN 49 2HG GLN 49 2.837 -0.365 -5.128 404 2HE2 GLN 49 2HE2 GLN 49 3.860 -2.059 -7.814 405 1HE2 GLN 49 1HE2 GLN 49 5.291 -1.207 -8.145 406 H VAL 50 H VAL 50 2.373 -0.798 -1.709 407 HA VAL 50 HA VAL 50 3.508 -2.478 0.401 408 HB VAL 50 HB VAL 50 2.502 0.326 0.946 409 1HG1 VAL 50 1HG1 VAL 50 2.974 -2.052 2.644 410 2HG1 VAL 50 2HG1 VAL 50 3.698 -0.559 3.244 411 3HG1 VAL 50 3HG1 VAL 50 1.962 -0.640 2.943 412 1HG2 VAL 50 1HG2 VAL 50 5.259 -0.927 1.092 413 2HG2 VAL 50 2HG2 VAL 50 4.745 0.374 0.017 414 3HG2 VAL 50 3HG2 VAL 50 4.857 0.657 1.755 415 H CYS 51 H CYS 51 2.007 -3.970 0.735 416 HA CYS 51 HA CYS 51 -0.774 -3.593 0.110 417 1HB CYS 51 1HB CYS 51 0.826 -5.778 1.428 418 2HB CYS 51 2HB CYS 51 -0.935 -5.818 1.463 419 H ALA 52 H ALA 52 -2.335 -2.772 1.422 420 HA ALA 52 HA ALA 52 -1.941 -2.868 4.327 421 1HB ALA 52 1HB ALA 52 -1.003 -0.678 3.217 422 2HB ALA 52 2HB ALA 52 -2.706 -0.227 3.168 423 3HB ALA 52 3HB ALA 52 -1.936 -0.596 4.711 424 H ASP 53 H ASP 53 -3.775 -3.160 5.412 425 HA ASP 53 HA ASP 53 -6.267 -3.398 3.955 426 1HB ASP 53 1HB ASP 53 -5.269 -4.111 6.644 427 2HB ASP 53 2HB ASP 53 -6.961 -3.620 6.601 428 H LYS 54 H LYS 54 -7.659 -1.785 3.633 429 HA LYS 54 HA LYS 54 -7.265 0.846 4.499 430 1HB LYS 54 1HB LYS 54 -9.634 1.227 3.806 431 2HB LYS 54 2HB LYS 54 -8.685 0.372 2.591 432 1HG LYS 54 1HG LYS 54 -9.639 -1.745 3.219 433 2HG LYS 54 2HG LYS 54 -10.409 -1.040 4.640 434 1HD LYS 54 1HD LYS 54 -11.057 0.155 1.981 435 2HD LYS 54 2HD LYS 54 -11.763 -1.415 2.367 436 1HE LYS 54 1HE LYS 54 -13.375 -0.092 3.328 437 2HE LYS 54 2HE LYS 54 -12.257 -0.151 4.691 438 1HZ LYS 54 1HZ LYS 54 -11.938 1.917 2.622 439 2HZ LYS 54 2HZ LYS 54 -13.106 2.118 3.839 440 3HZ LYS 54 3HZ LYS 54 -11.467 1.949 4.252 441 H SER 55 H SER 55 -8.882 -1.829 6.050 442 HA SER 55 HA SER 55 -10.473 -0.449 7.905 443 1HB SER 55 1HB SER 55 -9.337 -3.162 7.690 444 2HB SER 55 2HB SER 55 -9.740 -2.642 9.322 445 HG SER 55 HG SER 55 -11.720 -3.055 8.783 446 H LYS 56 H LYS 56 -7.030 -0.883 7.738 447 HA LYS 56 HA LYS 56 -6.293 -0.587 10.421 448 1HB LYS 56 1HB LYS 56 -4.852 0.496 7.987 449 2HB LYS 56 2HB LYS 56 -4.142 0.219 9.577 450 1HG LYS 56 1HG LYS 56 -5.556 -2.086 8.339 451 2HG LYS 56 2HG LYS 56 -4.026 -1.612 7.601 452 1HD LYS 56 1HD LYS 56 -2.964 -1.695 9.866 453 2HD LYS 56 2HD LYS 56 -4.484 -2.312 10.515 454 1HE LYS 56 1HE LYS 56 -3.194 -3.675 8.166 455 2HE LYS 56 2HE LYS 56 -2.627 -4.013 9.801 456 1HZ LYS 56 1HZ LYS 56 -5.088 -4.363 10.322 457 2HZ LYS 56 2HZ LYS 56 -5.299 -4.485 8.641 458 3HZ LYS 56 3HZ LYS 56 -4.284 -5.578 9.449 459 H ASP 57 H ASP 57 -4.815 1.571 10.868 460 HA ASP 57 HA ASP 57 -6.802 3.747 10.882 461 1HB ASP 57 1HB ASP 57 -4.513 3.014 12.676 462 2HB ASP 57 2HB ASP 57 -5.092 4.679 12.628 463 H TRP 58 H TRP 58 -3.242 3.433 10.703 464 HA TRP 58 HA TRP 58 -2.835 6.012 9.640 465 1HB TRP 58 1HB TRP 58 -0.587 5.214 9.000 466 2HB TRP 58 2HB TRP 58 -0.998 4.795 10.660 467 HD1 TRP 58 HD1 TRP 58 -1.553 2.231 11.188 468 HE1 TRP 58 HE1 TRP 58 -0.863 0.066 9.972 469 HE3 TRP 58 HE3 TRP 58 -0.144 4.162 6.683 470 HZ2 TRP 58 HZ2 TRP 58 0.155 -0.743 7.408 471 HZ3 TRP 58 HZ3 TRP 58 0.685 2.682 4.879 472 HH2 TRP 58 HH2 TRP 58 0.833 0.237 5.235 473 H VAL 59 H VAL 59 -3.608 2.957 8.127 474 HA VAL 59 HA VAL 59 -2.975 3.748 5.456 475 HB VAL 59 HB VAL 59 -4.965 1.657 6.364 476 1HG1 VAL 59 1HG1 VAL 59 -4.769 2.568 3.879 477 2HG1 VAL 59 2HG1 VAL 59 -3.333 1.544 3.850 478 3HG1 VAL 59 3HG1 VAL 59 -4.913 0.838 4.188 479 1HG2 VAL 59 1HG2 VAL 59 -2.691 1.361 7.344 480 2HG2 VAL 59 2HG2 VAL 59 -3.094 0.087 6.192 481 3HG2 VAL 59 3HG2 VAL 59 -2.012 1.396 5.716 482 H LYS 60 H LYS 60 -5.775 4.048 7.539 483 HA LYS 60 HA LYS 60 -7.642 4.826 5.538 484 1HB LYS 60 1HB LYS 60 -8.081 4.090 7.988 485 2HB LYS 60 2HB LYS 60 -7.765 5.778 8.390 486 1HG LYS 60 1HG LYS 60 -9.560 6.536 6.983 487 2HG LYS 60 2HG LYS 60 -9.766 4.931 6.282 488 1HD LYS 60 1HD LYS 60 -10.710 4.054 8.250 489 2HD LYS 60 2HD LYS 60 -10.062 5.355 9.250 490 1HE LYS 60 1HE LYS 60 -12.223 6.119 9.070 491 2HE LYS 60 2HE LYS 60 -11.575 6.831 7.592 492 1HZ LYS 60 1HZ LYS 60 -12.758 4.120 7.641 493 2HZ LYS 60 2HZ LYS 60 -13.704 5.508 7.387 494 3HZ LYS 60 3HZ LYS 60 -12.464 5.118 6.298 495 H LYS 61 H LYS 61 -5.447 6.610 7.667 496 HA LYS 61 HA LYS 61 -6.299 9.214 6.980 497 1HB LYS 61 1HB LYS 61 -4.612 8.340 8.832 498 2HB LYS 61 2HB LYS 61 -3.418 8.696 7.583 499 1HG LYS 61 1HG LYS 61 -4.613 10.979 7.363 500 2HG LYS 61 2HG LYS 61 -5.357 10.587 8.914 501 1HD LYS 61 1HD LYS 61 -2.402 10.238 8.681 502 2HD LYS 61 2HD LYS 61 -3.023 11.887 8.769 503 1HE LYS 61 1HE LYS 61 -2.859 11.467 11.025 504 2HE LYS 61 2HE LYS 61 -4.473 10.809 10.752 505 1HZ LYS 61 1HZ LYS 61 -2.116 9.089 10.382 506 2HZ LYS 61 2HZ LYS 61 -2.692 9.387 11.949 507 3HZ LYS 61 3HZ LYS 61 -3.707 8.660 10.797 508 H LEU 62 H LEU 62 -3.799 7.103 5.605 509 HA LEU 62 HA LEU 62 -2.763 8.928 3.718 510 1HB LEU 62 1HB LEU 62 -3.007 5.933 3.479 511 2HB LEU 62 2HB LEU 62 -1.988 6.956 2.493 512 HG LEU 62 HG LEU 62 -1.648 6.819 5.482 513 1HD1 LEU 62 1HD1 LEU 62 -0.905 4.857 3.369 514 2HD1 LEU 62 2HD1 LEU 62 0.327 5.234 4.572 515 3HD1 LEU 62 3HD1 LEU 62 -1.234 4.597 5.081 516 1HD2 LEU 62 1HD2 LEU 62 -0.152 7.868 3.115 517 2HD2 LEU 62 2HD2 LEU 62 -0.335 8.567 4.723 518 3HD2 LEU 62 3HD2 LEU 62 0.790 7.234 4.464 519 H MET 63 H MET 63 -5.334 6.517 3.502 520 HA MET 63 HA MET 63 -6.044 6.720 0.831 521 1HB MET 63 1HB MET 63 -7.682 6.214 3.303 522 2HB MET 63 2HB MET 63 -8.430 6.257 1.706 523 1HG MET 63 1HG MET 63 -6.337 4.642 1.163 524 2HG MET 63 2HG MET 63 -6.554 4.260 2.870 525 1HE MET 63 1HE MET 63 -7.118 3.719 -0.410 526 2HE MET 63 2HE MET 63 -7.401 2.044 0.080 527 3HE MET 63 3HE MET 63 -8.673 2.957 -0.729 528 H GLN 64 H GLN 64 -6.864 8.854 3.506 529 HA GLN 64 HA GLN 64 -8.586 10.512 1.841 530 1HB GLN 64 1HB GLN 64 -8.953 10.066 4.336 531 2HB GLN 64 2HB GLN 64 -7.608 11.173 4.618 532 1HG GLN 64 1HG GLN 64 -8.941 12.762 3.006 533 2HG GLN 64 2HG GLN 64 -10.314 11.745 3.444 534 2HE2 GLN 64 2HE2 GLN 64 -11.418 12.469 5.257 535 1HE2 GLN 64 1HE2 GLN 64 -10.736 13.379 6.517 536 H GLN 65 H GLN 65 -5.321 10.508 3.110 537 HA GLN 65 HA GLN 65 -4.733 13.242 2.527 538 1HB GLN 65 1HB GLN 65 -3.143 10.824 3.254 539 2HB GLN 65 2HB GLN 65 -2.297 12.209 2.568 540 1HG GLN 65 1HG GLN 65 -4.264 12.894 4.666 541 2HG GLN 65 2HG GLN 65 -2.901 11.930 5.228 542 2HE2 GLN 65 2HE2 GLN 65 -1.660 13.551 6.270 543 1HE2 GLN 65 1HE2 GLN 65 -1.056 14.923 5.474 544 H LEU 66 H LEU 66 -4.355 10.198 0.782 545 HA LEU 66 HA LEU 66 -3.290 11.669 -1.545 546 1HB LEU 66 1HB LEU 66 -3.504 8.691 -1.395 547 2HB LEU 66 2HB LEU 66 -2.395 9.672 -2.327 548 HG LEU 66 HG LEU 66 -2.299 9.154 0.653 549 1HD1 LEU 66 1HD1 LEU 66 -1.403 7.580 -1.392 550 2HD1 LEU 66 2HD1 LEU 66 0.007 8.602 -1.119 551 3HD1 LEU 66 3HD1 LEU 66 -0.654 7.642 0.202 552 1HD2 LEU 66 1HD2 LEU 66 -0.900 11.136 -1.114 553 2HD2 LEU 66 2HD2 LEU 66 -1.481 11.331 0.539 554 3HD2 LEU 66 3HD2 LEU 66 -0.008 10.413 0.226 555 HA PRO 67 HA PRO 67 -7.187 11.132 -3.543 556 1HB PRO 67 1HB PRO 67 -6.418 11.332 -6.165 557 2HB PRO 67 2HB PRO 67 -6.535 12.709 -5.061 558 1HG PRO 67 1HG PRO 67 -4.124 11.330 -6.090 559 2HG PRO 67 2HG PRO 67 -4.322 13.000 -5.543 560 1HD PRO 67 1HD PRO 67 -3.148 10.892 -4.065 561 2HD PRO 67 2HD PRO 67 -3.635 12.481 -3.428 562 H VAL 68 H VAL 68 -5.093 9.614 -5.969 563 HA VAL 68 HA VAL 68 -5.392 6.940 -5.352 564 HB VAL 68 HB VAL 68 -7.854 8.104 -6.492 565 1HG1 VAL 68 1HG1 VAL 68 -6.600 5.703 -7.838 566 2HG1 VAL 68 2HG1 VAL 68 -8.344 5.965 -7.822 567 3HG1 VAL 68 3HG1 VAL 68 -7.283 7.143 -8.594 568 1HG2 VAL 68 1HG2 VAL 68 -6.981 5.955 -4.705 569 2HG2 VAL 68 2HG2 VAL 68 -8.481 6.878 -4.703 570 3HG2 VAL 68 3HG2 VAL 68 -8.321 5.465 -5.742 571 H THR 69 H THR 69 -4.348 5.655 -6.829 572 HA THR 69 HA THR 69 -2.533 6.894 -8.583 573 HB THR 69 HB THR 69 -3.049 4.118 -9.305 574 HG1 THR 69 HG1 THR 69 -2.543 4.671 -6.574 575 1HG2 THR 69 1HG2 THR 69 -0.906 5.755 -9.194 576 2HG2 THR 69 2HG2 THR 69 -0.713 4.909 -7.657 577 3HG2 THR 69 3HG2 THR 69 -0.774 3.997 -9.166 578 H ALA 70 H ALA 70 -2.357 6.664 -10.899 579 HA ALA 70 HA ALA 70 -4.561 5.836 -12.512 580 1HB ALA 70 1HB ALA 70 -4.170 8.792 -12.691 581 2HB ALA 70 2HB ALA 70 -5.205 8.160 -11.411 582 3HB ALA 70 3HB ALA 70 -5.583 7.819 -13.100 583 H ARG 71 H ARG 71 -2.071 8.395 -12.535 584 HA ARG 71 HA ARG 71 -1.194 7.483 -15.183 585 1HB ARG 71 1HB ARG 71 -1.550 9.987 -14.338 586 2HB ARG 71 2HB ARG 71 0.116 9.774 -13.798 587 1HG ARG 71 1HG ARG 71 0.931 9.523 -15.951 588 2HG ARG 71 2HG ARG 71 -0.600 8.899 -16.569 589 1HD ARG 71 1HD ARG 71 -1.427 11.350 -15.893 590 2HD ARG 71 2HD ARG 71 0.273 11.723 -16.159 591 HE ARG 71 HE ARG 71 -0.755 10.195 -18.331 592 1HH1 ARG 71 1HH1 ARG 71 -0.845 13.402 -16.932 593 2HH1 ARG 71 2HH1 ARG 71 -1.164 14.176 -18.446 594 1HH2 ARG 71 1HH2 ARG 71 -1.171 11.244 -20.283 595 2HH2 ARG 71 2HH2 ARG 71 -1.348 12.967 -20.328 No H/Q in entry = 595 Start of MODEL 38 1 H1 LEU 1 H1 LEU 1 12.275 -10.104 -17.857 2 H2 LEU 1 H2 LEU 1 11.089 -10.356 -16.668 3 H3 LEU 1 H3 LEU 1 11.374 -8.793 -17.262 4 HA LEU 1 HA LEU 1 12.488 -8.723 -15.266 5 1HB LEU 1 1HB LEU 1 12.858 -11.626 -15.839 6 2HB LEU 1 2HB LEU 1 14.093 -10.837 -14.856 7 HG LEU 1 HG LEU 1 11.971 -9.840 -13.605 8 1HD1 LEU 1 1HD1 LEU 1 10.970 -12.222 -15.131 9 2HD1 LEU 1 2HD1 LEU 1 10.337 -11.915 -13.515 10 3HD1 LEU 1 3HD1 LEU 1 10.154 -10.699 -14.779 11 1HD2 LEU 1 1HD2 LEU 1 13.835 -11.454 -12.810 12 2HD2 LEU 1 2HD2 LEU 1 12.306 -11.480 -11.931 13 3HD2 LEU 1 3HD2 LEU 1 12.665 -12.737 -13.114 14 H GLY 2 H GLY 2 13.942 -7.212 -15.767 15 1HA GLY 2 1HA GLY 2 16.399 -8.031 -17.170 16 2HA GLY 2 2HA GLY 2 16.230 -6.617 -16.135 17 H ALA 3 H ALA 3 13.689 -5.813 -17.332 18 HA ALA 3 HA ALA 3 14.763 -4.651 -19.823 19 1HB ALA 3 1HB ALA 3 13.097 -6.613 -20.173 20 2HB ALA 3 2HB ALA 3 12.835 -5.117 -21.069 21 3HB ALA 3 3HB ALA 3 11.875 -5.463 -19.630 22 H SER 4 H SER 4 12.016 -4.548 -17.550 23 HA SER 4 HA SER 4 12.435 -1.862 -16.788 24 1HB SER 4 1HB SER 4 10.331 -0.940 -17.917 25 2HB SER 4 2HB SER 4 11.755 -1.134 -18.937 26 HG SER 4 HG SER 4 10.283 -2.172 -20.093 27 H TRP 5 H TRP 5 9.450 -3.576 -17.659 28 HA TRP 5 HA TRP 5 8.898 -4.169 -14.855 29 1HB TRP 5 1HB TRP 5 7.517 -2.036 -16.394 30 2HB TRP 5 2HB TRP 5 6.483 -3.116 -15.460 31 HD1 TRP 5 HD1 TRP 5 8.382 -0.043 -15.092 32 HE1 TRP 5 HE1 TRP 5 8.833 0.495 -12.611 33 HE3 TRP 5 HE3 TRP 5 7.199 -4.541 -12.984 34 HZ2 TRP 5 HZ2 TRP 5 8.709 -0.811 -10.069 35 HZ3 TRP 5 HZ3 TRP 5 7.374 -4.866 -10.533 36 HH2 TRP 5 HH2 TRP 5 8.126 -3.009 -9.074 37 H HIS 6 H HIS 6 8.058 -6.134 -14.748 38 HA HIS 6 HA HIS 6 6.007 -7.052 -16.535 39 1HB HIS 6 1HB HIS 6 8.835 -7.909 -16.954 40 2HB HIS 6 2HB HIS 6 7.568 -9.125 -17.114 41 HD1 HIS 6 HD1 HIS 6 5.336 -7.712 -18.481 42 HD2 HIS 6 HD2 HIS 6 9.310 -6.989 -19.511 43 HE1 HIS 6 HE1 HIS 6 5.306 -6.756 -20.826 44 H ARG 7 H ARG 7 4.968 -8.877 -15.770 45 HA ARG 7 HA ARG 7 4.249 -10.390 -14.198 46 1HB ARG 7 1HB ARG 7 6.466 -11.444 -14.791 47 2HB ARG 7 2HB ARG 7 7.159 -10.613 -13.398 48 1HG ARG 7 1HG ARG 7 6.561 -12.556 -12.335 49 2HG ARG 7 2HG ARG 7 5.010 -11.725 -12.209 50 1HD ARG 7 1HD ARG 7 4.248 -12.813 -14.279 51 2HD ARG 7 2HD ARG 7 5.801 -13.627 -14.432 52 HE ARG 7 HE ARG 7 4.923 -14.381 -11.955 53 1HH1 ARG 7 1HH1 ARG 7 3.523 -14.467 -15.163 54 2HH1 ARG 7 2HH1 ARG 7 2.568 -15.871 -14.832 55 1HH2 ARG 7 1HH2 ARG 7 3.661 -16.209 -11.566 56 2HH2 ARG 7 2HH2 ARG 7 2.644 -16.851 -12.813 57 HA PRO 8 HA PRO 8 4.775 -7.227 -10.810 58 1HB PRO 8 1HB PRO 8 2.322 -6.041 -10.994 59 2HB PRO 8 2HB PRO 8 3.744 -5.502 -11.900 60 1HG PRO 8 1HG PRO 8 1.349 -6.946 -12.855 61 2HG PRO 8 2HG PRO 8 2.473 -5.910 -13.748 62 1HD PRO 8 1HD PRO 8 2.414 -8.762 -13.741 63 2HD PRO 8 2HD PRO 8 3.655 -7.720 -14.477 64 H ASP 9 H ASP 9 3.747 -7.202 -8.728 65 HA ASP 9 HA ASP 9 2.145 -9.610 -8.211 66 1HB ASP 9 1HB ASP 9 4.300 -8.958 -6.909 67 2HB ASP 9 2HB ASP 9 3.256 -7.801 -6.083 68 H LYS 10 H LYS 10 0.026 -9.454 -7.954 69 HA LYS 10 HA LYS 10 -1.159 -6.816 -7.418 70 1HB LYS 10 1HB LYS 10 -2.235 -9.376 -8.578 71 2HB LYS 10 2HB LYS 10 -3.319 -8.118 -7.984 72 1HG LYS 10 1HG LYS 10 -1.092 -7.365 -9.848 73 2HG LYS 10 2HG LYS 10 -2.553 -8.101 -10.506 74 1HD LYS 10 1HD LYS 10 -3.801 -6.325 -9.045 75 2HD LYS 10 2HD LYS 10 -2.249 -5.485 -9.052 76 1HE LYS 10 1HE LYS 10 -3.801 -6.359 -11.509 77 2HE LYS 10 2HE LYS 10 -3.658 -4.704 -10.913 78 1HZ LYS 10 1HZ LYS 10 -1.267 -4.835 -11.228 79 2HZ LYS 10 2HZ LYS 10 -1.408 -6.428 -11.803 80 3HZ LYS 10 3HZ LYS 10 -2.078 -5.139 -12.685 81 H CYS 11 H CYS 11 -2.164 -10.117 -6.578 82 HA CYS 11 HA CYS 11 -3.472 -9.374 -4.192 83 1HB CYS 11 1HB CYS 11 -2.274 -12.089 -4.791 84 2HB CYS 11 2HB CYS 11 -3.605 -11.728 -3.697 85 H CYS 12 H CYS 12 -2.721 -10.807 -2.130 86 HA CYS 12 HA CYS 12 -0.016 -11.058 -1.484 87 1HB CYS 12 1HB CYS 12 0.291 -9.050 -0.021 88 2HB CYS 12 2HB CYS 12 0.224 -8.662 -1.740 89 H LEU 13 H LEU 13 0.008 -12.356 0.221 90 HA LEU 13 HA LEU 13 -2.406 -12.645 1.830 91 1HB LEU 13 1HB LEU 13 0.121 -14.206 1.505 92 2HB LEU 13 2HB LEU 13 -0.888 -14.470 2.910 93 HG LEU 13 HG LEU 13 -2.800 -14.899 1.257 94 1HD1 LEU 13 1HD1 LEU 13 -0.424 -14.674 -0.563 95 2HD1 LEU 13 2HD1 LEU 13 -1.697 -15.829 -0.956 96 3HD1 LEU 13 3HD1 LEU 13 -2.077 -14.113 -0.812 97 1HD2 LEU 13 1HD2 LEU 13 -1.328 -16.606 2.539 98 2HD2 LEU 13 2HD2 LEU 13 -2.238 -17.196 1.147 99 3HD2 LEU 13 3HD2 LEU 13 -0.515 -16.855 0.994 100 H GLY 14 H GLY 14 -0.107 -10.429 2.051 101 1HA GLY 14 1HA GLY 14 1.313 -10.369 4.295 102 2HA GLY 14 2HA GLY 14 -0.317 -10.282 4.959 103 H TYR 15 H TYR 15 0.056 -8.191 5.775 104 HA TYR 15 HA TYR 15 0.032 -6.082 3.701 105 1HB TYR 15 1HB TYR 15 -1.134 -6.087 6.495 106 2HB TYR 15 2HB TYR 15 -1.098 -4.681 5.430 107 HD1 TYR 15 HD1 TYR 15 -2.388 -4.663 3.319 108 HD2 TYR 15 HD2 TYR 15 -2.646 -7.932 6.092 109 HE1 TYR 15 HE1 TYR 15 -4.442 -5.462 2.184 110 HE2 TYR 15 HE2 TYR 15 -4.700 -8.733 4.957 111 HH TYR 15 HH TYR 15 -5.700 -7.545 1.918 112 H GLN 16 H GLN 16 0.658 -3.874 4.939 113 HA GLN 16 HA GLN 16 3.442 -3.963 5.281 114 1HB GLN 16 1HB GLN 16 2.201 -1.911 4.651 115 2HB GLN 16 2HB GLN 16 1.528 -1.836 6.271 116 1HG GLN 16 1HG GLN 16 3.507 -0.333 5.958 117 2HG GLN 16 2HG GLN 16 3.738 -1.522 7.232 118 2HE2 GLN 16 2HE2 GLN 16 5.025 -0.332 4.259 119 1HE2 GLN 16 1HE2 GLN 16 6.228 -1.512 4.068 120 H LYS 17 H LYS 17 0.909 -3.446 7.710 121 HA LYS 17 HA LYS 17 0.764 -4.223 9.895 122 1HB LYS 17 1HB LYS 17 2.619 -5.960 9.170 123 2HB LYS 17 2HB LYS 17 3.675 -4.885 10.087 124 1HG LYS 17 1HG LYS 17 2.647 -5.357 12.096 125 2HG LYS 17 2HG LYS 17 1.082 -5.666 11.343 126 1HD LYS 17 1HD LYS 17 1.661 -7.841 11.822 127 2HD LYS 17 2HD LYS 17 2.462 -7.697 10.257 128 1HE LYS 17 1HE LYS 17 3.992 -6.799 12.653 129 2HE LYS 17 2HE LYS 17 3.765 -8.536 12.447 130 1HZ LYS 17 1HZ LYS 17 4.579 -8.232 10.124 131 2HZ LYS 17 2HZ LYS 17 5.001 -6.638 10.535 132 3HZ LYS 17 3HZ LYS 17 5.745 -7.946 11.323 133 H ARG 18 H ARG 18 3.701 -2.470 8.936 134 HA ARG 18 HA ARG 18 3.509 -0.878 11.404 135 1HB ARG 18 1HB ARG 18 5.751 -0.001 10.706 136 2HB ARG 18 2HB ARG 18 5.732 -1.743 10.988 137 1HG ARG 18 1HG ARG 18 5.677 -2.220 8.648 138 2HG ARG 18 2HG ARG 18 5.317 -0.541 8.244 139 1HD ARG 18 1HD ARG 18 7.650 -0.876 7.791 140 2HD ARG 18 2HD ARG 18 7.546 0.081 9.264 141 HE ARG 18 HE ARG 18 7.699 -2.759 9.764 142 1HH1 ARG 18 1HH1 ARG 18 9.548 0.147 9.131 143 2HH1 ARG 18 2HH1 ARG 18 10.979 -0.462 9.889 144 1HH2 ARG 18 1HH2 ARG 18 9.586 -3.514 10.742 145 2HH2 ARG 18 2HH2 ARG 18 11.002 -2.517 10.794 146 HA PRO 19 HA PRO 19 1.893 2.449 8.969 147 1HB PRO 19 1HB PRO 19 2.271 4.505 10.727 148 2HB PRO 19 2HB PRO 19 1.013 3.274 10.904 149 1HG PRO 19 1HG PRO 19 3.510 3.628 12.434 150 2HG PRO 19 2HG PRO 19 2.014 2.804 12.893 151 1HD PRO 19 1HD PRO 19 4.443 1.590 12.000 152 2HD PRO 19 2HD PRO 19 2.889 0.782 12.313 153 H LEU 20 H LEU 20 2.720 3.546 7.304 154 HA LEU 20 HA LEU 20 5.506 4.496 7.461 155 1HB LEU 20 1HB LEU 20 4.045 4.611 4.890 156 2HB LEU 20 2HB LEU 20 5.704 4.170 5.219 157 HG LEU 20 HG LEU 20 3.251 2.422 5.494 158 1HD1 LEU 20 1HD1 LEU 20 4.552 2.946 3.249 159 2HD1 LEU 20 2HD1 LEU 20 5.713 1.792 3.905 160 3HD1 LEU 20 3HD1 LEU 20 4.043 1.299 3.622 161 1HD2 LEU 20 1HD2 LEU 20 6.045 2.143 6.547 162 2HD2 LEU 20 2HD2 LEU 20 4.521 1.638 7.277 163 3HD2 LEU 20 3HD2 LEU 20 5.218 0.702 5.955 164 HA PRO 21 HA PRO 21 4.048 8.679 7.389 165 1HB PRO 21 1HB PRO 21 6.328 9.938 6.559 166 2HB PRO 21 2HB PRO 21 6.115 9.258 8.182 167 1HG PRO 21 1HG PRO 21 7.757 8.262 5.937 168 2HG PRO 21 2HG PRO 21 7.933 7.979 7.675 169 1HD PRO 21 1HD PRO 21 6.809 6.193 5.750 170 2HD PRO 21 2HD PRO 21 6.834 5.987 7.517 171 H GLN 22 H GLN 22 2.948 9.962 5.989 172 HA GLN 22 HA GLN 22 2.907 9.365 3.189 173 1HB GLN 22 1HB GLN 22 0.976 10.258 4.615 174 2HB GLN 22 2HB GLN 22 1.742 11.839 4.460 175 1HG GLN 22 1HG GLN 22 1.429 10.303 1.937 176 2HG GLN 22 2HG GLN 22 -0.064 10.885 2.673 177 2HE2 GLN 22 2HE2 GLN 22 1.961 11.798 0.331 178 1HE2 GLN 22 1HE2 GLN 22 1.964 13.482 0.539 179 H VAL 23 H VAL 23 4.998 11.266 5.062 180 HA VAL 23 HA VAL 23 5.507 13.538 3.584 181 HB VAL 23 HB VAL 23 6.543 13.030 5.759 182 1HG1 VAL 23 1HG1 VAL 23 7.078 10.579 4.800 183 2HG1 VAL 23 2HG1 VAL 23 8.634 11.342 4.477 184 3HG1 VAL 23 3HG1 VAL 23 8.001 11.293 6.121 185 1HG2 VAL 23 1HG2 VAL 23 7.570 14.716 4.240 186 2HG2 VAL 23 2HG2 VAL 23 8.762 13.927 5.272 187 3HG2 VAL 23 3HG2 VAL 23 8.609 13.453 3.579 188 H LEU 24 H LEU 24 6.221 10.230 2.743 189 HA LEU 24 HA LEU 24 7.555 11.223 0.302 190 1HB LEU 24 1HB LEU 24 9.187 9.582 0.345 191 2HB LEU 24 2HB LEU 24 9.101 10.132 1.998 192 HG LEU 24 HG LEU 24 9.330 7.817 2.188 193 1HD1 LEU 24 1HD1 LEU 24 7.335 8.738 3.441 194 2HD1 LEU 24 2HD1 LEU 24 6.321 8.104 2.145 195 3HD1 LEU 24 3HD1 LEU 24 7.282 7.003 3.129 196 1HD2 LEU 24 1HD2 LEU 24 8.651 7.650 -0.390 197 2HD2 LEU 24 2HD2 LEU 24 8.606 6.242 0.672 198 3HD2 LEU 24 3HD2 LEU 24 7.120 7.120 0.307 199 H LEU 25 H LEU 25 4.835 9.707 1.406 200 HA LEU 25 HA LEU 25 4.629 7.611 -0.555 201 1HB LEU 25 1HB LEU 25 3.366 8.048 1.760 202 2HB LEU 25 2HB LEU 25 2.212 8.807 0.688 203 HG LEU 25 HG LEU 25 1.843 6.727 -0.482 204 1HD1 LEU 25 1HD1 LEU 25 4.282 5.892 1.042 205 2HD1 LEU 25 2HD1 LEU 25 3.068 4.668 0.669 206 3HD1 LEU 25 3HD1 LEU 25 3.845 5.566 -0.635 207 1HD2 LEU 25 1HD2 LEU 25 1.724 6.807 2.496 208 2HD2 LEU 25 2HD2 LEU 25 0.413 6.674 1.322 209 3HD2 LEU 25 3HD2 LEU 25 1.392 5.260 1.717 210 H SER 26 H SER 26 2.639 7.648 -2.054 211 HA SER 26 HA SER 26 2.400 10.320 -3.305 212 1HB SER 26 1HB SER 26 3.814 8.355 -4.459 213 2HB SER 26 2HB SER 26 2.210 7.911 -5.036 214 HG SER 26 HG SER 26 3.663 9.615 -6.166 215 H SER 27 H SER 27 0.960 7.078 -3.726 216 HA SER 27 HA SER 27 -1.671 8.079 -2.980 217 1HB SER 27 1HB SER 27 -0.867 8.072 -5.719 218 2HB SER 27 2HB SER 27 -2.060 6.796 -5.509 219 HG SER 27 HG SER 27 -2.920 8.942 -5.930 220 H TRP 28 H TRP 28 -3.205 6.047 -4.055 221 HA TRP 28 HA TRP 28 -1.975 3.496 -3.298 222 1HB TRP 28 1HB TRP 28 -3.953 2.973 -1.818 223 2HB TRP 28 2HB TRP 28 -2.846 4.178 -1.166 224 HD1 TRP 28 HD1 TRP 28 -3.645 6.713 -1.129 225 HE1 TRP 28 HE1 TRP 28 -5.983 7.788 -1.270 226 HE3 TRP 28 HE3 TRP 28 -6.348 2.728 -2.849 227 HZ2 TRP 28 HZ2 TRP 28 -8.645 7.054 -2.027 228 HZ3 TRP 28 HZ3 TRP 28 -8.777 2.948 -3.271 229 HH2 TRP 28 HH2 TRP 28 -9.930 5.103 -2.859 230 H TYR 29 H TYR 29 -2.785 1.814 -4.448 231 HA TYR 29 HA TYR 29 -5.224 2.342 -6.030 232 1HB TYR 29 1HB TYR 29 -4.309 1.230 -7.934 233 2HB TYR 29 2HB TYR 29 -3.108 2.396 -7.400 234 HD1 TYR 29 HD1 TYR 29 -1.147 1.552 -5.955 235 HD2 TYR 29 HD2 TYR 29 -3.807 -1.070 -8.078 236 HE1 TYR 29 HE1 TYR 29 0.526 -0.265 -5.808 237 HE2 TYR 29 HE2 TYR 29 -2.131 -2.891 -7.925 238 HH TYR 29 HH TYR 29 -0.189 -3.473 -6.378 239 HA PRO 30 HA PRO 30 -6.577 -1.444 -4.152 240 1HB PRO 30 1HB PRO 30 -8.859 -1.824 -5.601 241 2HB PRO 30 2HB PRO 30 -8.697 -0.610 -4.323 242 1HG PRO 30 1HG PRO 30 -8.795 -0.246 -7.254 243 2HG PRO 30 2HG PRO 30 -9.212 0.889 -5.963 244 1HD PRO 30 1HD PRO 30 -6.809 0.856 -7.495 245 2HD PRO 30 2HD PRO 30 -7.153 1.860 -6.066 246 H THR 31 H THR 31 -6.257 -3.592 -4.438 247 HA THR 31 HA THR 31 -5.438 -4.513 -7.103 248 HB THR 31 HB THR 31 -3.884 -5.038 -5.326 249 HG1 THR 31 HG1 THR 31 -4.106 -6.662 -6.831 250 1HG2 THR 31 1HG2 THR 31 -6.366 -6.031 -3.956 251 2HG2 THR 31 2HG2 THR 31 -4.791 -6.694 -3.522 252 3HG2 THR 31 3HG2 THR 31 -5.105 -4.970 -3.332 253 H SER 32 H SER 32 -6.013 -6.984 -7.391 254 HA SER 32 HA SER 32 -8.767 -7.143 -7.921 255 1HB SER 32 1HB SER 32 -6.615 -8.631 -8.648 256 2HB SER 32 2HB SER 32 -7.369 -9.715 -7.482 257 HG SER 32 HG SER 32 -8.061 -9.456 -9.931 258 H GLN 33 H GLN 33 -10.493 -7.922 -6.817 259 HA GLN 33 HA GLN 33 -10.112 -8.436 -3.968 260 1HB GLN 33 1HB GLN 33 -12.592 -8.261 -3.888 261 2HB GLN 33 2HB GLN 33 -11.820 -6.823 -4.547 262 1HG GLN 33 1HG GLN 33 -12.419 -7.391 -6.771 263 2HG GLN 33 2HG GLN 33 -12.814 -9.051 -6.326 264 2HE2 GLN 33 2HE2 GLN 33 -14.772 -9.334 -4.884 265 1HE2 GLN 33 1HE2 GLN 33 -16.027 -8.195 -4.985 266 H LEU 34 H LEU 34 -9.610 -10.441 -6.290 267 HA LEU 34 HA LEU 34 -11.356 -12.588 -5.251 268 1HB LEU 34 1HB LEU 34 -9.883 -12.624 -7.876 269 2HB LEU 34 2HB LEU 34 -11.123 -13.729 -7.331 270 HG LEU 34 HG LEU 34 -12.144 -12.345 -8.961 271 1HD1 LEU 34 1HD1 LEU 34 -13.420 -12.649 -6.801 272 2HD1 LEU 34 2HD1 LEU 34 -12.858 -11.048 -6.318 273 3HD1 LEU 34 3HD1 LEU 34 -13.894 -11.229 -7.733 274 1HD2 LEU 34 1HD2 LEU 34 -10.227 -10.569 -8.592 275 2HD2 LEU 34 2HD2 LEU 34 -11.790 -10.059 -9.228 276 3HD2 LEU 34 3HD2 LEU 34 -11.409 -9.815 -7.524 277 H CYS 35 H CYS 35 -8.893 -11.638 -4.033 278 HA CYS 35 HA CYS 35 -7.072 -13.912 -4.526 279 1HB CYS 35 1HB CYS 35 -6.443 -11.460 -2.873 280 2HB CYS 35 2HB CYS 35 -5.318 -12.637 -3.543 281 H SER 36 H SER 36 -5.741 -14.147 -2.226 282 HA SER 36 HA SER 36 -7.671 -15.406 -0.486 283 1HB SER 36 1HB SER 36 -5.575 -15.855 0.917 284 2HB SER 36 2HB SER 36 -5.616 -16.572 -0.692 285 HG SER 36 HG SER 36 -4.091 -15.236 -1.334 286 H LYS 37 H LYS 37 -5.690 -12.515 -0.482 287 HA LYS 37 HA LYS 37 -7.276 -11.426 1.720 288 1HB LYS 37 1HB LYS 37 -4.249 -11.422 1.840 289 2HB LYS 37 2HB LYS 37 -5.363 -10.775 3.045 290 1HG LYS 37 1HG LYS 37 -6.309 -13.114 3.282 291 2HG LYS 37 2HG LYS 37 -4.971 -13.678 2.279 292 1HD LYS 37 1HD LYS 37 -3.599 -12.194 4.085 293 2HD LYS 37 2HD LYS 37 -4.956 -12.710 5.088 294 1HE LYS 37 1HE LYS 37 -4.378 -15.058 3.886 295 2HE LYS 37 2HE LYS 37 -2.774 -14.325 3.875 296 1HZ LYS 37 1HZ LYS 37 -4.449 -14.367 6.311 297 2HZ LYS 37 2HZ LYS 37 -3.424 -15.663 5.912 298 3HZ LYS 37 3HZ LYS 37 -2.772 -14.121 6.184 299 HA PRO 38 HA PRO 38 -6.193 -8.364 -1.560 300 1HB PRO 38 1HB PRO 38 -8.745 -7.565 -2.106 301 2HB PRO 38 2HB PRO 38 -7.959 -8.947 -2.883 302 1HG PRO 38 1HG PRO 38 -10.083 -8.912 -0.828 303 2HG PRO 38 2HG PRO 38 -9.690 -10.157 -2.022 304 1HD PRO 38 1HD PRO 38 -9.010 -10.177 0.744 305 2HD PRO 38 2HD PRO 38 -8.443 -11.313 -0.502 306 H GLY 39 H GLY 39 -6.846 -6.001 -1.735 307 1HA GLY 39 1HA GLY 39 -6.522 -4.712 0.780 308 2HA GLY 39 2HA GLY 39 -8.184 -4.544 0.220 309 H VAL 40 H VAL 40 -5.183 -3.138 0.184 310 HA VAL 40 HA VAL 40 -5.353 -2.015 -2.502 311 HB VAL 40 HB VAL 40 -5.469 -0.170 -0.104 312 1HG1 VAL 40 1HG1 VAL 40 -4.448 0.355 -2.531 313 2HG1 VAL 40 2HG1 VAL 40 -6.151 0.652 -2.878 314 3HG1 VAL 40 3HG1 VAL 40 -5.340 1.556 -1.600 315 1HG2 VAL 40 1HG2 VAL 40 -7.634 -1.035 -2.042 316 2HG2 VAL 40 2HG2 VAL 40 -7.609 -1.311 -0.299 317 3HG2 VAL 40 3HG2 VAL 40 -7.782 0.327 -0.931 318 H ILE 41 H ILE 41 -3.428 -1.328 -3.257 319 HA ILE 41 HA ILE 41 -1.119 -1.656 -1.458 320 HB ILE 41 HB ILE 41 -1.391 -1.809 -4.469 321 1HG1 ILE 41 1HG1 ILE 41 -0.359 -4.109 -3.913 322 2HG1 ILE 41 2HG1 ILE 41 -0.797 -3.750 -2.243 323 1HG2 ILE 41 1HG2 ILE 41 0.744 -0.677 -3.886 324 2HG2 ILE 41 2HG2 ILE 41 1.146 -2.014 -2.806 325 3HG2 ILE 41 3HG2 ILE 41 1.025 -2.289 -4.544 326 1HD1 ILE 41 1HD1 ILE 41 -2.844 -3.440 -4.422 327 2HD1 ILE 41 2HD1 ILE 41 -2.504 -5.038 -3.758 328 3HD1 ILE 41 3HD1 ILE 41 -3.090 -3.752 -2.704 329 H PHE 42 H PHE 42 0.305 -0.038 -1.115 330 HA PHE 42 HA PHE 42 -0.477 2.644 -1.995 331 1HB PHE 42 1HB PHE 42 1.338 1.552 0.133 332 2HB PHE 42 2HB PHE 42 1.568 3.204 -0.439 333 HD1 PHE 42 HD1 PHE 42 -0.415 4.802 -0.398 334 HD2 PHE 42 HD2 PHE 42 -0.420 1.015 1.629 335 HE1 PHE 42 HE1 PHE 42 -2.309 5.559 1.012 336 HE2 PHE 42 HE2 PHE 42 -2.312 1.773 3.040 337 HZ PHE 42 HZ PHE 42 -3.257 4.046 2.731 338 H LEU 43 H LEU 43 1.065 4.091 -2.953 339 HA LEU 43 HA LEU 43 3.376 2.761 -4.227 340 1HB LEU 43 1HB LEU 43 1.938 4.876 -5.742 341 2HB LEU 43 2HB LEU 43 2.888 3.529 -6.330 342 HG LEU 43 HG LEU 43 0.797 2.168 -5.308 343 1HD1 LEU 43 1HD1 LEU 43 -0.184 4.941 -5.991 344 2HD1 LEU 43 2HD1 LEU 43 -1.245 3.535 -6.083 345 3HD1 LEU 43 3HD1 LEU 43 -0.515 3.989 -4.544 346 1HD2 LEU 43 1HD2 LEU 43 1.168 3.492 -7.995 347 2HD2 LEU 43 2HD2 LEU 43 1.459 1.810 -7.553 348 3HD2 LEU 43 3HD2 LEU 43 -0.192 2.414 -7.687 349 H THR 44 H THR 44 4.914 3.716 -2.937 350 HA THR 44 HA THR 44 4.858 6.432 -2.125 351 HB THR 44 HB THR 44 7.208 6.103 -1.526 352 HG1 THR 44 HG1 THR 44 6.906 3.675 -2.957 353 1HG2 THR 44 1HG2 THR 44 5.163 4.017 -0.915 354 2HG2 THR 44 2HG2 THR 44 6.815 3.735 -0.369 355 3HG2 THR 44 3HG2 THR 44 5.942 5.173 0.165 356 H LYS 45 H LYS 45 6.580 8.029 -2.778 357 HA LYS 45 HA LYS 45 6.306 8.712 -5.491 358 1HB LYS 45 1HB LYS 45 8.314 9.606 -3.414 359 2HB LYS 45 2HB LYS 45 8.208 10.312 -5.027 360 1HG LYS 45 1HG LYS 45 6.185 11.333 -4.602 361 2HG LYS 45 2HG LYS 45 5.680 10.091 -3.456 362 1HD LYS 45 1HD LYS 45 6.117 11.995 -2.112 363 2HD LYS 45 2HD LYS 45 7.551 10.984 -1.929 364 1HE LYS 45 1HE LYS 45 8.261 13.277 -2.331 365 2HE LYS 45 2HE LYS 45 8.653 12.304 -3.749 366 1HZ LYS 45 1HZ LYS 45 6.069 13.705 -3.598 367 2HZ LYS 45 2HZ LYS 45 7.463 14.561 -4.044 368 3HZ LYS 45 3HZ LYS 45 6.954 13.228 -4.967 369 H ARG 46 H ARG 46 9.202 7.528 -3.781 370 HA ARG 46 HA ARG 46 10.109 6.319 -6.324 371 1HB ARG 46 1HB ARG 46 11.339 8.443 -5.748 372 2HB ARG 46 2HB ARG 46 11.928 7.618 -4.303 373 1HG ARG 46 1HG ARG 46 13.230 6.120 -5.522 374 2HG ARG 46 2HG ARG 46 12.244 6.291 -6.975 375 1HD ARG 46 1HD ARG 46 13.079 8.660 -7.165 376 2HD ARG 46 2HD ARG 46 14.188 8.317 -5.842 377 HE ARG 46 HE ARG 46 14.449 6.386 -7.938 378 1HH1 ARG 46 1HH1 ARG 46 15.285 9.664 -7.038 379 2HH1 ARG 46 2HH1 ARG 46 16.695 9.699 -8.038 380 1HH2 ARG 46 1HH2 ARG 46 16.295 6.475 -9.229 381 2HH2 ARG 46 2HH2 ARG 46 17.264 7.910 -9.269 382 H GLY 47 H GLY 47 9.132 5.636 -3.247 383 1HA GLY 47 1HA GLY 47 9.567 3.965 -1.721 384 2HA GLY 47 2HA GLY 47 11.172 3.802 -2.425 385 H ARG 48 H ARG 48 8.152 2.391 -2.068 386 HA ARG 48 HA ARG 48 8.245 0.785 -4.500 387 1HB ARG 48 1HB ARG 48 9.272 -0.165 -1.904 388 2HB ARG 48 2HB ARG 48 8.108 -1.250 -2.661 389 1HG ARG 48 1HG ARG 48 10.250 -0.093 -4.392 390 2HG ARG 48 2HG ARG 48 10.709 -1.363 -3.258 391 1HD ARG 48 1HD ARG 48 8.291 -1.704 -5.013 392 2HD ARG 48 2HD ARG 48 9.899 -2.039 -5.646 393 HE ARG 48 HE ARG 48 9.617 -3.381 -3.184 394 1HH1 ARG 48 1HH1 ARG 48 8.330 -3.466 -6.438 395 2HH1 ARG 48 2HH1 ARG 48 7.996 -5.162 -6.384 396 1HH2 ARG 48 1HH2 ARG 48 9.164 -5.590 -3.155 397 2HH2 ARG 48 2HH2 ARG 48 8.462 -6.357 -4.541 398 H GLN 49 H GLN 49 6.588 -1.233 -3.909 399 HA GLN 49 HA GLN 49 4.100 0.155 -3.197 400 1HB GLN 49 1HB GLN 49 4.778 -2.170 -4.928 401 2HB GLN 49 2HB GLN 49 3.210 -2.190 -4.120 402 1HG GLN 49 1HG GLN 49 2.631 -1.021 -6.026 403 2HG GLN 49 2HG GLN 49 3.137 0.327 -5.007 404 2HE2 GLN 49 2HE2 GLN 49 5.090 1.442 -5.564 405 1HE2 GLN 49 1HE2 GLN 49 5.972 1.094 -6.971 406 H VAL 50 H VAL 50 2.585 -0.817 -1.751 407 HA VAL 50 HA VAL 50 3.473 -3.108 -0.168 408 HB VAL 50 HB VAL 50 2.944 -0.427 1.139 409 1HG1 VAL 50 1HG1 VAL 50 2.286 -2.518 2.403 410 2HG1 VAL 50 2HG1 VAL 50 3.981 -3.005 2.345 411 3HG1 VAL 50 3HG1 VAL 50 3.514 -1.535 3.200 412 1HG2 VAL 50 1HG2 VAL 50 5.505 -1.964 0.633 413 2HG2 VAL 50 2HG2 VAL 50 5.103 -0.343 0.067 414 3HG2 VAL 50 3HG2 VAL 50 5.380 -0.635 1.784 415 H CYS 51 H CYS 51 1.802 -4.291 0.540 416 HA CYS 51 HA CYS 51 -0.893 -3.535 -0.166 417 1HB CYS 51 1HB CYS 51 0.457 -5.941 0.939 418 2HB CYS 51 2HB CYS 51 -1.229 -5.726 1.404 419 H ALA 52 H ALA 52 -2.469 -2.729 1.157 420 HA ALA 52 HA ALA 52 -2.018 -2.691 4.051 421 1HB ALA 52 1HB ALA 52 -0.972 -0.608 3.149 422 2HB ALA 52 2HB ALA 52 -2.550 -0.142 2.517 423 3HB ALA 52 3HB ALA 52 -2.310 -0.303 4.256 424 H ASP 53 H ASP 53 -3.850 -2.709 5.228 425 HA ASP 53 HA ASP 53 -6.372 -2.951 3.751 426 1HB ASP 53 1HB ASP 53 -5.390 -3.822 6.432 427 2HB ASP 53 2HB ASP 53 -7.115 -3.499 6.255 428 H LYS 54 H LYS 54 -7.823 -1.362 3.697 429 HA LYS 54 HA LYS 54 -7.359 1.194 4.746 430 1HB LYS 54 1HB LYS 54 -9.752 1.638 4.213 431 2HB LYS 54 2HB LYS 54 -8.889 0.862 2.886 432 1HG LYS 54 1HG LYS 54 -9.762 -1.340 4.176 433 2HG LYS 54 2HG LYS 54 -11.044 -0.216 4.628 434 1HD LYS 54 1HD LYS 54 -11.018 0.396 2.070 435 2HD LYS 54 2HD LYS 54 -10.252 -1.183 1.898 436 1HE LYS 54 1HE LYS 54 -12.690 -1.023 3.610 437 2HE LYS 54 2HE LYS 54 -12.915 -0.901 1.865 438 1HZ LYS 54 1HZ LYS 54 -11.421 -3.067 3.241 439 2HZ LYS 54 2HZ LYS 54 -13.014 -3.198 2.665 440 3HZ LYS 54 3HZ LYS 54 -11.736 -2.963 1.575 441 H SER 55 H SER 55 -8.858 -1.611 6.177 442 HA SER 55 HA SER 55 -10.380 -0.431 8.206 443 1HB SER 55 1HB SER 55 -9.840 -2.996 7.486 444 2HB SER 55 2HB SER 55 -8.901 -2.865 8.969 445 HG SER 55 HG SER 55 -11.359 -3.386 8.919 446 H LYS 56 H LYS 56 -6.928 -0.785 7.873 447 HA LYS 56 HA LYS 56 -6.129 -0.530 10.555 448 1HB LYS 56 1HB LYS 56 -4.719 0.546 8.099 449 2HB LYS 56 2HB LYS 56 -3.984 0.234 9.674 450 1HG LYS 56 1HG LYS 56 -5.464 -2.026 8.426 451 2HG LYS 56 2HG LYS 56 -3.934 -1.572 7.675 452 1HD LYS 56 1HD LYS 56 -2.726 -1.909 9.714 453 2HD LYS 56 2HD LYS 56 -4.216 -2.037 10.651 454 1HE LYS 56 1HE LYS 56 -4.741 -4.157 9.747 455 2HE LYS 56 2HE LYS 56 -3.616 -3.957 8.402 456 1HZ LYS 56 1HZ LYS 56 -2.820 -4.169 11.255 457 2HZ LYS 56 2HZ LYS 56 -2.774 -5.449 10.143 458 3HZ LYS 56 3HZ LYS 56 -1.776 -4.092 9.916 459 H ASP 57 H ASP 57 -4.618 1.610 10.968 460 HA ASP 57 HA ASP 57 -6.577 3.809 11.028 461 1HB ASP 57 1HB ASP 57 -4.247 3.044 12.752 462 2HB ASP 57 2HB ASP 57 -4.774 4.727 12.701 463 H TRP 58 H TRP 58 -3.036 3.443 10.733 464 HA TRP 58 HA TRP 58 -2.598 6.001 9.641 465 1HB TRP 58 1HB TRP 58 -0.397 5.130 8.924 466 2HB TRP 58 2HB TRP 58 -0.760 4.731 10.600 467 HD1 TRP 58 HD1 TRP 58 -1.406 2.182 11.147 468 HE1 TRP 58 HE1 TRP 58 -0.831 -0.007 9.914 469 HE3 TRP 58 HE3 TRP 58 -0.025 4.063 6.618 470 HZ2 TRP 58 HZ2 TRP 58 0.094 -0.850 7.325 471 HZ3 TRP 58 HZ3 TRP 58 0.698 2.559 4.788 472 HH2 TRP 58 HH2 TRP 58 0.759 0.107 5.138 473 H VAL 59 H VAL 59 -3.572 2.989 8.174 474 HA VAL 59 HA VAL 59 -2.998 3.762 5.472 475 HB VAL 59 HB VAL 59 -4.965 1.692 6.479 476 1HG1 VAL 59 1HG1 VAL 59 -3.983 2.534 3.814 477 2HG1 VAL 59 2HG1 VAL 59 -3.974 0.794 4.097 478 3HG1 VAL 59 3HG1 VAL 59 -5.475 1.706 4.252 479 1HG2 VAL 59 1HG2 VAL 59 -2.026 1.482 5.751 480 2HG2 VAL 59 2HG2 VAL 59 -2.714 1.288 7.363 481 3HG2 VAL 59 3HG2 VAL 59 -3.079 0.110 6.102 482 H LYS 60 H LYS 60 -5.697 4.119 7.672 483 HA LYS 60 HA LYS 60 -7.665 4.861 5.770 484 1HB LYS 60 1HB LYS 60 -7.973 4.201 8.248 485 2HB LYS 60 2HB LYS 60 -7.598 5.889 8.598 486 1HG LYS 60 1HG LYS 60 -9.493 6.680 7.447 487 2HG LYS 60 2HG LYS 60 -9.687 5.175 6.547 488 1HD LYS 60 1HD LYS 60 -10.319 4.000 8.613 489 2HD LYS 60 2HD LYS 60 -10.093 5.487 9.536 490 1HE LYS 60 1HE LYS 60 -11.825 6.566 8.035 491 2HE LYS 60 2HE LYS 60 -12.150 4.962 7.376 492 1HZ LYS 60 1HZ LYS 60 -12.600 4.210 9.666 493 2HZ LYS 60 2HZ LYS 60 -12.422 5.811 10.209 494 3HZ LYS 60 3HZ LYS 60 -13.681 5.408 9.141 495 H LYS 61 H LYS 61 -5.503 6.798 7.838 496 HA LYS 61 HA LYS 61 -6.408 9.322 6.972 497 1HB LYS 61 1HB LYS 61 -4.202 10.168 7.789 498 2HB LYS 61 2HB LYS 61 -5.045 9.159 8.962 499 1HG LYS 61 1HG LYS 61 -3.660 7.250 8.408 500 2HG LYS 61 2HG LYS 61 -2.909 8.128 7.077 501 1HD LYS 61 1HD LYS 61 -2.753 8.999 9.974 502 2HD LYS 61 2HD LYS 61 -1.501 8.064 9.156 503 1HE LYS 61 1HE LYS 61 -1.490 9.929 7.390 504 2HE LYS 61 2HE LYS 61 -2.421 10.877 8.549 505 1HZ LYS 61 1HZ LYS 61 -0.581 10.260 10.180 506 2HZ LYS 61 2HZ LYS 61 0.327 9.826 8.811 507 3HZ LYS 61 3HZ LYS 61 -0.222 11.423 8.999 508 H LEU 62 H LEU 62 -4.006 7.115 5.638 509 HA LEU 62 HA LEU 62 -2.918 8.943 3.737 510 1HB LEU 62 1HB LEU 62 -3.044 5.932 3.721 511 2HB LEU 62 2HB LEU 62 -2.142 6.889 2.567 512 HG LEU 62 HG LEU 62 -1.586 7.220 5.491 513 1HD1 LEU 62 1HD1 LEU 62 -0.923 4.879 3.734 514 2HD1 LEU 62 2HD1 LEU 62 0.240 5.403 4.952 515 3HD1 LEU 62 3HD1 LEU 62 -1.379 4.901 5.437 516 1HD2 LEU 62 1HD2 LEU 62 -0.278 7.741 2.864 517 2HD2 LEU 62 2HD2 LEU 62 -0.247 8.701 4.343 518 3HD2 LEU 62 3HD2 LEU 62 0.780 7.276 4.196 519 H MET 63 H MET 63 -5.428 6.458 3.582 520 HA MET 63 HA MET 63 -6.071 6.628 0.869 521 1HB MET 63 1HB MET 63 -7.702 5.933 3.299 522 2HB MET 63 2HB MET 63 -8.425 5.958 1.692 523 1HG MET 63 1HG MET 63 -6.370 4.484 1.022 524 2HG MET 63 2HG MET 63 -6.248 4.174 2.753 525 1HE MET 63 1HE MET 63 -7.928 3.911 -0.442 526 2HE MET 63 2HE MET 63 -7.339 2.275 -0.163 527 3HE MET 63 3HE MET 63 -9.070 2.566 -0.319 528 H GLN 64 H GLN 64 -7.086 8.623 3.582 529 HA GLN 64 HA GLN 64 -8.895 10.197 1.923 530 1HB GLN 64 1HB GLN 64 -9.099 9.607 4.495 531 2HB GLN 64 2HB GLN 64 -8.087 11.042 4.675 532 1HG GLN 64 1HG GLN 64 -9.697 12.455 3.714 533 2HG GLN 64 2HG GLN 64 -10.533 11.119 2.921 534 2HE2 GLN 64 2HE2 GLN 64 -11.759 13.098 4.747 535 1HE2 GLN 64 1HE2 GLN 64 -12.367 12.217 6.064 536 H GLN 65 H GLN 65 -5.685 10.409 3.318 537 HA GLN 65 HA GLN 65 -5.284 13.191 2.803 538 1HB GLN 65 1HB GLN 65 -3.540 10.882 3.548 539 2HB GLN 65 2HB GLN 65 -2.781 12.348 2.927 540 1HG GLN 65 1HG GLN 65 -4.879 12.816 4.959 541 2HG GLN 65 2HG GLN 65 -3.459 11.958 5.552 542 2HE2 GLN 65 2HE2 GLN 65 -4.678 15.055 4.976 543 1HE2 GLN 65 1HE2 GLN 65 -3.209 15.904 4.946 544 H LEU 66 H LEU 66 -4.774 10.232 0.989 545 HA LEU 66 HA LEU 66 -3.640 11.785 -1.252 546 1HB LEU 66 1HB LEU 66 -3.771 8.795 -1.135 547 2HB LEU 66 2HB LEU 66 -2.688 9.811 -2.063 548 HG LEU 66 HG LEU 66 -2.560 9.752 0.944 549 1HD1 LEU 66 1HD1 LEU 66 -1.686 7.701 -1.025 550 2HD1 LEU 66 2HD1 LEU 66 -0.528 8.129 0.235 551 3HD1 LEU 66 3HD1 LEU 66 -2.123 7.517 0.673 552 1HD2 LEU 66 1HD2 LEU 66 -0.936 10.764 -1.336 553 2HD2 LEU 66 2HD2 LEU 66 -1.149 11.439 0.278 554 3HD2 LEU 66 3HD2 LEU 66 -0.042 10.090 0.027 555 HA PRO 67 HA PRO 67 -7.419 11.158 -3.439 556 1HB PRO 67 1HB PRO 67 -6.542 11.388 -6.024 557 2HB PRO 67 2HB PRO 67 -6.724 12.754 -4.916 558 1HG PRO 67 1HG PRO 67 -4.257 11.423 -5.864 559 2HG PRO 67 2HG PRO 67 -4.496 13.079 -5.292 560 1HD PRO 67 1HD PRO 67 -3.370 10.933 -3.813 561 2HD PRO 67 2HD PRO 67 -3.856 12.520 -3.172 562 H VAL 68 H VAL 68 -5.218 9.692 -5.805 563 HA VAL 68 HA VAL 68 -5.434 7.008 -5.265 564 HB VAL 68 HB VAL 68 -7.973 8.096 -6.312 565 1HG1 VAL 68 1HG1 VAL 68 -6.799 5.643 -7.658 566 2HG1 VAL 68 2HG1 VAL 68 -8.489 6.139 -7.757 567 3HG1 VAL 68 3HG1 VAL 68 -7.228 7.160 -8.447 568 1HG2 VAL 68 1HG2 VAL 68 -7.033 6.164 -4.440 569 2HG2 VAL 68 2HG2 VAL 68 -8.688 6.709 -4.701 570 3HG2 VAL 68 3HG2 VAL 68 -8.070 5.316 -5.585 571 H THR 69 H THR 69 -4.832 5.659 -7.131 572 HA THR 69 HA THR 69 -2.843 6.907 -8.710 573 HB THR 69 HB THR 69 -3.178 4.613 -10.041 574 HG1 THR 69 HG1 THR 69 -4.537 3.339 -9.105 575 1HG2 THR 69 1HG2 THR 69 -2.057 4.943 -7.247 576 2HG2 THR 69 2HG2 THR 69 -1.735 3.551 -8.281 577 3HG2 THR 69 3HG2 THR 69 -1.190 5.156 -8.768 578 H ALA 70 H ALA 70 -6.004 5.531 -9.618 579 HA ALA 70 HA ALA 70 -7.410 5.968 -11.385 580 1HB ALA 70 1HB ALA 70 -5.960 8.579 -11.780 581 2HB ALA 70 2HB ALA 70 -7.070 8.338 -10.431 582 3HB ALA 70 3HB ALA 70 -7.656 8.204 -12.089 583 H ARG 71 H ARG 71 -6.498 4.316 -12.661 584 HA ARG 71 HA ARG 71 -4.745 5.305 -14.835 585 1HB ARG 71 1HB ARG 71 -4.706 2.702 -13.332 586 2HB ARG 71 2HB ARG 71 -4.102 2.786 -14.988 587 1HG ARG 71 1HG ARG 71 -2.685 4.773 -14.220 588 2HG ARG 71 2HG ARG 71 -3.109 4.309 -12.572 589 1HD ARG 71 1HD ARG 71 -1.139 3.117 -12.858 590 2HD ARG 71 2HD ARG 71 -2.327 1.920 -13.363 591 HE ARG 71 HE ARG 71 -1.453 2.050 -15.503 592 1HH1 ARG 71 1HH1 ARG 71 -0.499 4.891 -13.694 593 2HH1 ARG 71 2HH1 ARG 71 0.538 5.479 -14.947 594 1HH2 ARG 71 1HH2 ARG 71 -0.090 2.852 -17.110 595 2HH2 ARG 71 2HH2 ARG 71 0.769 4.336 -16.865 No H/Q in entry = 595
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