NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
1893 | 1b4r | 4478 | cing | recoord | dress | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 8 H ALA 8 -5.298 9.741 -8.653 2 HA ALA 8 HA ALA 8 -4.154 10.455 -11.312 3 1HB ALA 8 1HB ALA 8 -2.685 10.322 -9.218 4 2HB ALA 8 2HB ALA 8 -2.972 8.584 -9.248 5 3HB ALA 8 3HB ALA 8 -2.147 9.366 -10.597 6 H THR 9 H THR 9 -3.674 8.669 -12.782 7 HA THR 9 HA THR 9 -5.839 6.711 -12.761 8 HB THR 9 HB THR 9 -4.493 7.976 -14.764 9 HG1 THR 9 HG1 THR 9 -5.685 6.623 -16.073 10 1HG2 THR 9 1HG2 THR 9 -2.508 6.505 -14.335 11 2HG2 THR 9 2HG2 THR 9 -3.511 5.115 -14.749 12 3HG2 THR 9 3HG2 THR 9 -3.162 6.345 -15.964 13 H LEU 10 H LEU 10 -5.618 4.536 -12.551 14 HA LEU 10 HA LEU 10 -3.249 3.624 -11.039 15 1HB LEU 10 1HB LEU 10 -5.958 2.370 -11.607 16 2HB LEU 10 2HB LEU 10 -4.707 1.621 -10.618 17 HG LEU 10 HG LEU 10 -4.758 3.658 -9.144 18 1HD1 LEU 10 1HD1 LEU 10 -7.147 4.319 -10.885 19 2HD1 LEU 10 2HD1 LEU 10 -6.862 5.045 -9.301 20 3HD1 LEU 10 3HD1 LEU 10 -5.717 5.317 -10.614 21 1HD2 LEU 10 1HD2 LEU 10 -6.614 1.496 -9.351 22 2HD2 LEU 10 2HD2 LEU 10 -6.081 2.343 -7.899 23 3HD2 LEU 10 3HD2 LEU 10 -7.489 2.922 -8.790 24 H VAL 11 H VAL 11 -1.750 3.412 -12.888 25 HA VAL 11 HA VAL 11 -2.554 1.379 -14.907 26 HB VAL 11 HB VAL 11 0.026 2.958 -14.725 27 1HG1 VAL 11 1HG1 VAL 11 -1.108 0.897 -16.528 28 2HG1 VAL 11 2HG1 VAL 11 -0.425 2.300 -17.351 29 3HG1 VAL 11 3HG1 VAL 11 0.575 1.347 -16.255 30 1HG2 VAL 11 1HG2 VAL 11 -2.683 3.635 -15.728 31 2HG2 VAL 11 2HG2 VAL 11 -1.366 4.701 -15.236 32 3HG2 VAL 11 3HG2 VAL 11 -1.363 3.981 -16.846 33 H GLY 12 H GLY 12 -2.373 -0.628 -13.934 34 1HA GLY 12 1HA GLY 12 0.227 -1.200 -12.568 35 2HA GLY 12 2HA GLY 12 -1.293 -1.976 -12.125 36 HA PRO 13 HA PRO 13 0.030 -3.770 -16.398 37 1HB PRO 13 1HB PRO 13 2.636 -3.263 -17.115 38 2HB PRO 13 2HB PRO 13 1.255 -2.286 -17.643 39 1HG PRO 13 1HG PRO 13 3.301 -1.673 -15.545 40 2HG PRO 13 2HG PRO 13 2.400 -0.564 -16.595 41 1HD PRO 13 1HD PRO 13 1.792 -1.037 -13.907 42 2HD PRO 13 2HD PRO 13 0.660 -0.375 -15.102 43 H HIS 14 H HIS 14 0.859 -5.832 -16.612 44 HA HIS 14 HA HIS 14 3.173 -6.929 -15.432 45 1HB HIS 14 1HB HIS 14 2.038 -8.204 -13.523 46 2HB HIS 14 2HB HIS 14 2.314 -6.487 -13.239 47 HD1 HIS 14 HD1 HIS 14 0.277 -6.680 -11.500 48 HD2 HIS 14 HD2 HIS 14 -0.761 -7.187 -15.502 49 HE1 HIS 14 HE1 HIS 14 -2.241 -6.447 -11.626 50 H GLY 15 H GLY 15 3.077 -9.370 -15.466 51 1HA GLY 15 1HA GLY 15 1.268 -10.250 -17.643 52 2HA GLY 15 2HA GLY 15 2.635 -11.168 -16.997 53 HA PRO 16 HA PRO 16 -0.711 -13.193 -14.807 54 1HB PRO 16 1HB PRO 16 0.766 -15.411 -14.175 55 2HB PRO 16 2HB PRO 16 -0.031 -15.197 -15.744 56 1HG PRO 16 1HG PRO 16 2.868 -14.995 -15.076 57 2HG PRO 16 2HG PRO 16 2.100 -15.378 -16.625 58 1HD PRO 16 1HD PRO 16 3.211 -12.870 -15.883 59 2HD PRO 16 2HD PRO 16 2.189 -13.188 -17.302 60 H LEU 17 H LEU 17 -1.026 -13.360 -12.512 61 HA LEU 17 HA LEU 17 1.331 -12.498 -10.903 62 1HB LEU 17 1HB LEU 17 -1.292 -11.400 -11.104 63 2HB LEU 17 2HB LEU 17 -1.120 -12.080 -9.487 64 HG LEU 17 HG LEU 17 -0.325 -9.784 -9.440 65 1HD1 LEU 17 1HD1 LEU 17 1.478 -12.069 -9.040 66 2HD1 LEU 17 2HD1 LEU 17 2.327 -10.539 -9.270 67 3HD1 LEU 17 3HD1 LEU 17 1.140 -10.706 -7.977 68 1HD2 LEU 17 1HD2 LEU 17 1.004 -10.647 -11.961 69 2HD2 LEU 17 2HD2 LEU 17 0.315 -9.082 -11.532 70 3HD2 LEU 17 3HD2 LEU 17 1.915 -9.533 -10.940 71 H ALA 18 H ALA 18 1.901 -14.780 -10.748 72 HA ALA 18 HA ALA 18 0.059 -16.485 -9.182 73 1HB ALA 18 1HB ALA 18 1.913 -17.040 -11.162 74 2HB ALA 18 2HB ALA 18 2.765 -17.507 -9.691 75 3HB ALA 18 3HB ALA 18 1.203 -18.232 -10.074 76 H SER 19 H SER 19 1.234 -17.722 -7.311 77 HA SER 19 HA SER 19 1.990 -15.830 -5.334 78 1HB SER 19 1HB SER 19 1.257 -17.846 -4.427 79 2HB SER 19 2HB SER 19 2.194 -18.814 -5.560 80 HG SER 19 HG SER 19 3.560 -17.099 -3.823 81 H GLY 20 H GLY 20 3.817 -14.660 -5.273 82 1HA GLY 20 1HA GLY 20 6.208 -14.442 -5.055 83 2HA GLY 20 2HA GLY 20 6.398 -15.990 -5.877 84 H GLN 21 H GLN 21 4.573 -13.074 -6.821 85 HA GLN 21 HA GLN 21 6.255 -12.998 -9.304 86 1HB GLN 21 1HB GLN 21 3.454 -13.385 -9.059 87 2HB GLN 21 2HB GLN 21 3.699 -11.774 -9.733 88 1HG GLN 21 1HG GLN 21 3.579 -13.589 -11.471 89 2HG GLN 21 2HG GLN 21 5.077 -12.659 -11.516 90 1HE2 GLN 21 2HE2 GLN 21 3.997 -15.424 -9.449 91 2HE2 GLN 21 1HE2 GLN 21 5.356 -16.385 -9.778 92 H LEU 22 H LEU 22 6.676 -10.925 -10.195 93 HA LEU 22 HA LEU 22 6.415 -8.688 -8.234 94 1HB LEU 22 1HB LEU 22 8.724 -9.579 -9.039 95 2HB LEU 22 2HB LEU 22 8.345 -8.765 -10.553 96 HG LEU 22 HG LEU 22 9.698 -7.400 -8.879 97 1HD1 LEU 22 1HD1 LEU 22 7.964 -6.576 -10.751 98 2HD1 LEU 22 2HD1 LEU 22 7.125 -5.957 -9.326 99 3HD1 LEU 22 3HD1 LEU 22 8.774 -5.442 -9.670 100 1HD2 LEU 22 1HD2 LEU 22 7.778 -8.275 -7.095 101 2HD2 LEU 22 2HD2 LEU 22 8.887 -6.933 -6.816 102 3HD2 LEU 22 3HD2 LEU 22 7.264 -6.620 -7.433 103 H ALA 23 H ALA 23 4.405 -7.847 -8.942 104 HA ALA 23 HA ALA 23 3.877 -7.345 -11.768 105 1HB ALA 23 1HB ALA 23 2.524 -6.712 -9.168 106 2HB ALA 23 2HB ALA 23 2.076 -5.780 -10.598 107 3HB ALA 23 3HB ALA 23 1.879 -7.533 -10.590 108 H ALA 24 H ALA 24 3.708 -5.055 -12.646 109 HA ALA 24 HA ALA 24 5.487 -3.214 -11.086 110 1HB ALA 24 1HB ALA 24 5.460 -3.746 -14.063 111 2HB ALA 24 2HB ALA 24 6.289 -2.370 -13.328 112 3HB ALA 24 3HB ALA 24 6.788 -4.018 -12.930 113 H PHE 25 H PHE 25 4.334 -1.490 -10.466 114 HA PHE 25 HA PHE 25 1.916 -0.755 -12.035 115 1HB PHE 25 1HB PHE 25 2.783 -0.219 -9.193 116 2HB PHE 25 2HB PHE 25 1.397 0.564 -9.936 117 HD1 PHE 25 HD1 PHE 25 2.755 -2.967 -9.833 118 HD2 PHE 25 HD2 PHE 25 -0.615 -0.316 -9.348 119 HE1 PHE 25 HE1 PHE 25 1.296 -4.900 -9.287 120 HE2 PHE 25 HE2 PHE 25 -2.060 -2.264 -8.816 121 HZ PHE 25 HZ PHE 25 -1.106 -4.550 -8.782 122 H HIS 26 H HIS 26 1.357 1.615 -11.928 123 HA HIS 26 HA HIS 26 3.403 3.594 -11.578 124 1HB HIS 26 1HB HIS 26 4.238 3.908 -13.656 125 2HB HIS 26 2HB HIS 26 3.662 2.281 -13.989 126 HD1 HIS 26 HD1 HIS 26 2.507 2.257 -16.175 127 HD2 HIS 26 HD2 HIS 26 1.776 5.795 -14.122 128 HE1 HIS 26 HE1 HIS 26 1.021 3.659 -17.672 129 H ILE 27 H ILE 27 2.410 5.598 -11.377 130 HA ILE 27 HA ILE 27 -0.552 5.584 -11.728 131 HB ILE 27 HB ILE 27 0.786 7.763 -10.202 132 1HG1 ILE 27 1HG1 ILE 27 1.767 5.292 -9.676 133 2HG1 ILE 27 2HG1 ILE 27 1.520 6.504 -8.425 134 1HG2 ILE 27 1HG2 ILE 27 -1.678 6.036 -9.890 135 2HG2 ILE 27 2HG2 ILE 27 -1.179 7.228 -8.687 136 3HG2 ILE 27 3HG2 ILE 27 -1.607 7.743 -10.321 137 1HD1 ILE 27 1HD1 ILE 27 -0.578 4.461 -9.222 138 2HD1 ILE 27 2HD1 ILE 27 0.539 4.253 -7.872 139 3HD1 ILE 27 3HD1 ILE 27 -0.625 5.569 -7.847 140 H ALA 28 H ALA 28 -1.587 7.469 -12.688 141 HA ALA 28 HA ALA 28 0.330 9.249 -14.172 142 1HB ALA 28 1HB ALA 28 -0.903 7.243 -15.442 143 2HB ALA 28 2HB ALA 28 -2.198 8.439 -15.519 144 3HB ALA 28 3HB ALA 28 -0.618 8.803 -16.217 145 H ALA 29 H ALA 29 -0.115 11.327 -13.575 146 HA ALA 29 HA ALA 29 -2.579 12.602 -14.054 147 1HB ALA 29 1HB ALA 29 -2.479 11.215 -11.485 148 2HB ALA 29 2HB ALA 29 -2.830 12.934 -11.316 149 3HB ALA 29 3HB ALA 29 -3.857 11.920 -12.329 150 HA PRO 30 HA PRO 30 0.098 15.590 -11.528 151 1HB PRO 30 1HB PRO 30 1.989 14.559 -9.822 152 2HB PRO 30 2HB PRO 30 0.308 14.854 -9.349 153 1HG PRO 30 1HG PRO 30 1.676 12.271 -9.900 154 2HG PRO 30 2HG PRO 30 0.256 12.599 -8.896 155 1HD PRO 30 1HD PRO 30 0.244 11.514 -11.522 156 2HD PRO 30 2HD PRO 30 -1.163 12.089 -10.605 157 H LEU 31 H LEU 31 0.770 15.003 -13.965 158 HA LEU 31 HA LEU 31 2.745 13.937 -15.207 159 1HB LEU 31 1HB LEU 31 1.976 16.756 -15.144 160 2HB LEU 31 2HB LEU 31 3.606 16.486 -15.765 161 HG LEU 31 HG LEU 31 2.368 14.510 -17.073 162 1HD1 LEU 31 1HD1 LEU 31 0.209 15.577 -15.820 163 2HD1 LEU 31 2HD1 LEU 31 0.196 16.519 -17.311 164 3HD1 LEU 31 3HD1 LEU 31 0.114 14.758 -17.379 165 1HD2 LEU 31 1HD2 LEU 31 3.646 16.451 -18.023 166 2HD2 LEU 31 2HD2 LEU 31 2.245 15.997 -18.993 167 3HD2 LEU 31 3HD2 LEU 31 2.169 17.410 -17.941 168 HA PRO 32 HA PRO 32 6.615 15.827 -13.287 169 1HB PRO 32 1HB PRO 32 6.378 17.789 -11.380 170 2HB PRO 32 2HB PRO 32 6.465 18.113 -13.119 171 1HG PRO 32 1HG PRO 32 4.098 18.225 -11.305 172 2HG PRO 32 2HG PRO 32 4.402 19.114 -12.808 173 1HD PRO 32 1HD PRO 32 2.731 16.850 -12.537 174 2HD PRO 32 2HD PRO 32 3.323 17.533 -14.066 175 H VAL 33 H VAL 33 5.975 13.571 -12.277 176 HA VAL 33 HA VAL 33 5.653 13.769 -9.321 177 HB VAL 33 HB VAL 33 5.817 11.173 -10.836 178 1HG1 VAL 33 1HG1 VAL 33 5.837 11.343 -8.302 179 2HG1 VAL 33 2HG1 VAL 33 4.192 11.974 -8.410 180 3HG1 VAL 33 3HG1 VAL 33 4.551 10.341 -8.976 181 1HG2 VAL 33 1HG2 VAL 33 3.353 12.896 -10.470 182 2HG2 VAL 33 2HG2 VAL 33 4.128 12.519 -12.010 183 3HG2 VAL 33 3HG2 VAL 33 3.356 11.240 -11.075 184 H THR 34 H THR 34 7.397 13.536 -8.037 185 HA THR 34 HA THR 34 9.867 12.389 -9.256 186 HB THR 34 HB THR 34 11.008 13.653 -7.328 187 HG1 THR 34 HG1 THR 34 9.671 15.482 -6.681 188 1HG2 THR 34 1HG2 THR 34 11.044 14.376 -9.703 189 2HG2 THR 34 2HG2 THR 34 9.540 15.257 -9.438 190 3HG2 THR 34 3HG2 THR 34 11.009 15.749 -8.596 191 H ALA 35 H ALA 35 7.450 11.917 -6.901 192 HA ALA 35 HA ALA 35 8.680 9.432 -6.025 193 1HB ALA 35 1HB ALA 35 8.803 11.889 -4.373 194 2HB ALA 35 2HB ALA 35 8.269 10.432 -3.534 195 3HB ALA 35 3HB ALA 35 9.837 10.460 -4.344 196 H THR 36 H THR 36 7.170 8.081 -5.012 197 HA THR 36 HA THR 36 4.436 9.167 -4.521 198 HB THR 36 HB THR 36 4.226 8.299 -6.754 199 HG1 THR 36 HG1 THR 36 2.812 6.612 -6.397 200 1HG2 THR 36 1HG2 THR 36 6.419 7.014 -6.591 201 2HG2 THR 36 2HG2 THR 36 5.494 5.724 -5.825 202 3HG2 THR 36 3HG2 THR 36 5.122 6.212 -7.478 203 H ARG 37 H ARG 37 3.146 7.554 -3.227 204 HA ARG 37 HA ARG 37 4.908 5.673 -1.735 205 1HB ARG 37 1HB ARG 37 3.557 7.985 -0.726 206 2HB ARG 37 2HB ARG 37 2.805 6.549 -0.027 207 1HG ARG 37 1HG ARG 37 4.680 5.966 1.139 208 2HG ARG 37 2HG ARG 37 5.767 6.516 -0.138 209 1HD ARG 37 1HD ARG 37 5.803 7.880 2.025 210 2HD ARG 37 2HD ARG 37 5.566 8.796 0.537 211 HE ARG 37 HE ARG 37 3.230 9.080 1.138 212 1HH1 ARG 37 1HH1 ARG 37 2.752 6.552 2.631 213 2HH1 ARG 37 2HH1 ARG 37 2.685 7.095 4.275 214 1HH2 ARG 37 1HH2 ARG 37 4.182 10.150 3.605 215 2HH2 ARG 37 2HH2 ARG 37 3.494 9.134 4.826 216 H TRP 38 H TRP 38 4.171 3.779 -2.630 217 HA TRP 38 HA TRP 38 1.283 3.353 -3.029 218 1HB TRP 38 1HB TRP 38 3.597 1.439 -3.372 219 2HB TRP 38 2HB TRP 38 1.942 1.157 -3.884 220 HD1 TRP 38 HD1 TRP 38 4.704 3.806 -4.525 221 HE1 TRP 38 HE1 TRP 38 4.587 4.433 -7.026 222 HE3 TRP 38 HE3 TRP 38 0.678 1.025 -5.950 223 HZ2 TRP 38 HZ2 TRP 38 2.999 3.839 -9.318 224 HZ3 TRP 38 HZ3 TRP 38 -0.127 1.080 -8.289 225 HH2 TRP 38 HH2 TRP 38 1.027 2.483 -9.976 226 H ASP 39 H ASP 39 0.603 1.023 -2.295 227 HA ASP 39 HA ASP 39 1.726 0.294 0.324 228 1HB ASP 39 1HB ASP 39 -0.835 1.681 -0.034 229 2HB ASP 39 2HB ASP 39 -1.010 0.148 0.821 230 H PHE 40 H PHE 40 2.266 -1.757 -0.322 231 HA PHE 40 HA PHE 40 0.496 -3.213 -2.146 232 1HB PHE 40 1HB PHE 40 2.849 -4.391 -0.664 233 2HB PHE 40 2HB PHE 40 2.106 -4.956 -2.154 234 HD1 PHE 40 HD1 PHE 40 1.828 -1.786 -2.973 235 HD2 PHE 40 HD2 PHE 40 5.022 -4.497 -1.988 236 HE1 PHE 40 HE1 PHE 40 3.406 -0.437 -4.325 237 HE2 PHE 40 HE2 PHE 40 6.588 -3.135 -3.333 238 HZ PHE 40 HZ PHE 40 5.782 -1.112 -4.506 239 H GLY 41 H GLY 41 1.692 -3.974 1.152 240 1HA GLY 41 1HA GLY 41 0.323 -4.795 2.949 241 2HA GLY 41 2HA GLY 41 -1.007 -5.005 1.809 242 H ASP 42 H ASP 42 1.854 -6.197 0.498 243 HA ASP 42 HA ASP 42 1.009 -8.998 1.036 244 1HB ASP 42 1HB ASP 42 2.699 -9.475 -0.810 245 2HB ASP 42 2HB ASP 42 1.318 -8.499 -1.304 246 H GLY 43 H GLY 43 2.351 -7.403 3.074 247 1HA GLY 43 1HA GLY 43 3.996 -8.350 4.671 248 2HA GLY 43 2HA GLY 43 4.955 -8.856 3.265 249 H SER 44 H SER 44 4.515 -6.563 1.668 250 HA SER 44 HA SER 44 6.171 -4.546 3.115 251 1HB SER 44 1HB SER 44 5.650 -4.981 0.151 252 2HB SER 44 2HB SER 44 6.623 -3.668 0.810 253 HG SER 44 HG SER 44 7.093 -6.456 0.863 254 H ALA 45 H ALA 45 4.517 -3.436 4.209 255 HA ALA 45 HA ALA 45 2.018 -2.729 2.963 256 1HB ALA 45 1HB ALA 45 3.419 -1.883 5.484 257 2HB ALA 45 2HB ALA 45 1.928 -1.094 4.972 258 3HB ALA 45 3HB ALA 45 1.938 -2.825 5.310 259 H GLU 46 H GLU 46 3.888 -0.191 4.419 260 HA GLU 46 HA GLU 46 3.224 1.784 2.522 261 1HB GLU 46 1HB GLU 46 5.580 1.584 4.416 262 2HB GLU 46 2HB GLU 46 5.215 3.031 3.476 263 1HG GLU 46 1HG GLU 46 3.432 1.708 5.540 264 2HG GLU 46 2HG GLU 46 4.217 3.282 5.672 265 H VAL 47 H VAL 47 4.332 2.634 0.724 266 HA VAL 47 HA VAL 47 6.658 1.029 -0.253 267 HB VAL 47 HB VAL 47 4.230 1.899 -1.852 268 1HG1 VAL 47 1HG1 VAL 47 6.513 1.877 -3.007 269 2HG1 VAL 47 2HG1 VAL 47 6.517 0.135 -2.730 270 3HG1 VAL 47 3HG1 VAL 47 5.258 0.865 -3.723 271 1HG2 VAL 47 1HG2 VAL 47 4.352 -0.209 -0.155 272 2HG2 VAL 47 2HG2 VAL 47 3.434 -0.234 -1.658 273 3HG2 VAL 47 3HG2 VAL 47 5.047 -0.944 -1.598 274 H ASP 48 H ASP 48 8.274 2.585 -0.206 275 HA ASP 48 HA ASP 48 7.659 5.343 -1.081 276 1HB ASP 48 1HB ASP 48 9.870 3.985 0.346 277 2HB ASP 48 2HB ASP 48 10.374 5.274 -0.749 278 H ALA 49 H ALA 49 7.233 5.107 -3.310 279 HA ALA 49 HA ALA 49 9.335 3.793 -4.960 280 1HB ALA 49 1HB ALA 49 6.516 3.862 -5.090 281 2HB ALA 49 2HB ALA 49 7.102 4.763 -6.488 282 3HB ALA 49 3HB ALA 49 7.625 3.097 -6.228 283 H ALA 50 H ALA 50 9.839 4.881 -7.069 284 HA ALA 50 HA ALA 50 10.338 7.768 -6.587 285 1HB ALA 50 1HB ALA 50 11.883 5.673 -7.690 286 2HB ALA 50 2HB ALA 50 11.500 6.758 -9.026 287 3HB ALA 50 3HB ALA 50 12.316 7.380 -7.592 288 H GLY 51 H GLY 51 9.778 9.332 -8.162 289 1HA GLY 51 1HA GLY 51 8.178 10.325 -9.577 290 2HA GLY 51 2HA GLY 51 8.679 9.047 -10.687 291 HA PRO 52 HA PRO 52 4.333 8.092 -9.784 292 1HB PRO 52 1HB PRO 52 3.584 7.904 -12.412 293 2HB PRO 52 2HB PRO 52 3.611 9.437 -11.526 294 1HG PRO 52 1HG PRO 52 5.444 8.480 -13.649 295 2HG PRO 52 2HG PRO 52 5.127 10.135 -13.107 296 1HD PRO 52 1HD PRO 52 7.382 8.479 -12.416 297 2HD PRO 52 2HD PRO 52 7.011 10.107 -11.805 298 H ALA 53 H ALA 53 6.624 6.140 -9.820 299 HA ALA 53 HA ALA 53 5.108 3.914 -11.090 300 1HB ALA 53 1HB ALA 53 7.582 5.007 -12.091 301 2HB ALA 53 2HB ALA 53 7.802 3.323 -11.616 302 3HB ALA 53 3HB ALA 53 6.553 3.754 -12.786 303 H ALA 54 H ALA 54 5.617 1.837 -10.324 304 HA ALA 54 HA ALA 54 7.553 1.349 -8.220 305 1HB ALA 54 1HB ALA 54 5.803 2.545 -6.913 306 2HB ALA 54 2HB ALA 54 4.607 1.379 -7.477 307 3HB ALA 54 3HB ALA 54 5.927 0.853 -6.429 308 H SER 55 H SER 55 6.482 -0.936 -7.132 309 HA SER 55 HA SER 55 5.215 -2.553 -9.216 310 1HB SER 55 1HB SER 55 7.463 -4.106 -8.615 311 2HB SER 55 2HB SER 55 7.082 -3.334 -10.150 312 HG SER 55 HG SER 55 8.942 -2.680 -8.254 313 H HIS 56 H HIS 56 4.355 -4.472 -8.363 314 HA HIS 56 HA HIS 56 4.367 -4.549 -5.395 315 1HB HIS 56 1HB HIS 56 2.465 -5.334 -7.537 316 2HB HIS 56 2HB HIS 56 2.445 -6.292 -6.055 317 HD1 HIS 56 HD1 HIS 56 2.487 -2.579 -6.976 318 HD2 HIS 56 HD2 HIS 56 0.912 -5.143 -4.102 319 HE1 HIS 56 HE1 HIS 56 1.076 -1.149 -5.426 320 H ARG 57 H ARG 57 5.207 -6.225 -4.284 321 HA ARG 57 HA ARG 57 6.262 -8.539 -5.853 322 1HB ARG 57 1HB ARG 57 7.693 -8.916 -3.763 323 2HB ARG 57 2HB ARG 57 8.082 -7.481 -4.707 324 1HG ARG 57 1HG ARG 57 6.065 -6.754 -2.822 325 2HG ARG 57 2HG ARG 57 7.322 -7.634 -1.957 326 1HD ARG 57 1HD ARG 57 7.840 -5.227 -2.035 327 2HD ARG 57 2HD ARG 57 9.039 -6.157 -2.932 328 HE ARG 57 HE ARG 57 6.772 -4.902 -4.403 329 1HH1 ARG 57 1HH1 ARG 57 9.766 -6.229 -4.826 330 2HH1 ARG 57 2HH1 ARG 57 10.454 -4.900 -5.698 331 1HH2 ARG 57 1HH2 ARG 57 7.804 -2.760 -5.054 332 2HH2 ARG 57 2HH2 ARG 57 9.343 -2.938 -5.827 333 H TYR 58 H TYR 58 4.261 -9.671 -5.840 334 HA TYR 58 HA TYR 58 3.010 -10.243 -3.231 335 1HB TYR 58 1HB TYR 58 2.309 -10.912 -6.093 336 2HB TYR 58 2HB TYR 58 1.419 -11.594 -4.730 337 HD1 TYR 58 HD1 TYR 58 1.447 -9.392 -2.799 338 HD2 TYR 58 HD2 TYR 58 0.824 -9.292 -7.047 339 HE1 TYR 58 HE1 TYR 58 0.150 -7.294 -2.565 340 HE2 TYR 58 HE2 TYR 58 -0.455 -7.194 -6.809 341 HH TYR 58 HH TYR 58 -1.010 -5.730 -3.605 342 H VAL 59 H VAL 59 3.250 -12.157 -2.126 343 HA VAL 59 HA VAL 59 4.814 -14.308 -3.496 344 HB VAL 59 HB VAL 59 6.204 -13.009 -1.897 345 1HG1 VAL 59 1HG1 VAL 59 3.873 -13.073 -0.340 346 2HG1 VAL 59 2HG1 VAL 59 5.007 -14.125 0.507 347 3HG1 VAL 59 3HG1 VAL 59 5.449 -12.455 0.155 348 1HG2 VAL 59 1HG2 VAL 59 6.368 -15.574 -2.321 349 2HG2 VAL 59 2HG2 VAL 59 7.225 -14.903 -0.932 350 3HG2 VAL 59 3HG2 VAL 59 5.684 -15.729 -0.702 351 H LEU 60 H LEU 60 1.980 -13.558 -1.681 352 HA LEU 60 HA LEU 60 1.647 -16.447 -0.988 353 1HB LEU 60 1HB LEU 60 1.299 -14.203 0.597 354 2HB LEU 60 2HB LEU 60 -0.346 -14.587 0.090 355 HG LEU 60 HG LEU 60 1.074 -17.009 0.789 356 1HD1 LEU 60 1HD1 LEU 60 2.049 -14.935 2.270 357 2HD1 LEU 60 2HD1 LEU 60 0.658 -15.411 3.244 358 3HD1 LEU 60 3HD1 LEU 60 1.915 -16.589 2.868 359 1HD2 LEU 60 1HD2 LEU 60 -1.413 -16.602 0.673 360 2HD2 LEU 60 2HD2 LEU 60 -0.883 -17.349 2.180 361 3HD2 LEU 60 3HD2 LEU 60 -1.267 -15.629 2.135 362 HA PRO 61 HA PRO 61 -1.467 -16.624 -4.097 363 1HB PRO 61 1HB PRO 61 -2.652 -18.962 -3.269 364 2HB PRO 61 2HB PRO 61 -1.104 -18.901 -4.129 365 1HG PRO 61 1HG PRO 61 -1.626 -19.426 -1.239 366 2HG PRO 61 2HG PRO 61 -0.270 -19.956 -2.248 367 1HD PRO 61 1HD PRO 61 -0.219 -17.820 -0.398 368 2HD PRO 61 2HD PRO 61 1.001 -18.146 -1.646 369 H GLY 62 H GLY 62 -3.190 -15.223 -3.959 370 1HA GLY 62 1HA GLY 62 -5.635 -15.748 -2.774 371 2HA GLY 62 2HA GLY 62 -4.729 -14.918 -1.508 372 H ARG 63 H ARG 63 -5.852 -12.960 -1.537 373 HA ARG 63 HA ARG 63 -5.744 -11.458 -4.124 374 1HB ARG 63 1HB ARG 63 -7.621 -10.557 -2.001 375 2HB ARG 63 2HB ARG 63 -7.840 -10.605 -3.750 376 1HG ARG 63 1HG ARG 63 -9.211 -12.362 -3.275 377 2HG ARG 63 2HG ARG 63 -7.703 -13.271 -3.194 378 1HD ARG 63 1HD ARG 63 -8.564 -13.823 -1.124 379 2HD ARG 63 2HD ARG 63 -7.728 -12.334 -0.684 380 HE ARG 63 HE ARG 63 -9.866 -11.190 -0.651 381 1HH1 ARG 63 1HH1 ARG 63 -10.330 -14.146 -2.254 382 2HH1 ARG 63 2HH1 ARG 63 -11.880 -14.463 -1.549 383 1HH2 ARG 63 1HH2 ARG 63 -11.745 -11.775 0.632 384 2HH2 ARG 63 2HH2 ARG 63 -12.682 -13.121 0.079 385 H TYR 64 H TYR 64 -5.399 -9.112 -3.870 386 HA TYR 64 HA TYR 64 -4.129 -8.320 -1.294 387 1HB TYR 64 1HB TYR 64 -2.876 -8.247 -4.041 388 2HB TYR 64 2HB TYR 64 -2.306 -7.217 -2.737 389 HD1 TYR 64 HD1 TYR 64 -1.551 -8.363 -0.521 390 HD2 TYR 64 HD2 TYR 64 -2.186 -10.472 -4.222 391 HE1 TYR 64 HE1 TYR 64 -0.172 -10.245 0.308 392 HE2 TYR 64 HE2 TYR 64 -0.794 -12.344 -3.387 393 HH TYR 64 HH TYR 64 0.844 -12.156 -0.237 394 H HIS 65 H HIS 65 -3.892 -5.938 -1.150 395 HA HIS 65 HA HIS 65 -5.793 -4.493 -2.957 396 1HB HIS 65 1HB HIS 65 -6.729 -4.775 -0.679 397 2HB HIS 65 2HB HIS 65 -5.290 -4.015 0.001 398 HD1 HIS 65 HD1 HIS 65 -8.455 -3.252 -1.837 399 HD2 HIS 65 HD2 HIS 65 -5.100 -1.191 -0.470 400 HE1 HIS 65 HE1 HIS 65 -9.014 -0.785 -1.997 401 H VAL 66 H VAL 66 -5.049 -2.467 -3.716 402 HA VAL 66 HA VAL 66 -2.289 -1.722 -2.830 403 HB VAL 66 HB VAL 66 -3.414 -1.386 -5.615 404 1HG1 VAL 66 1HG1 VAL 66 -0.668 -1.042 -4.377 405 2HG1 VAL 66 2HG1 VAL 66 -0.956 -1.067 -6.119 406 3HG1 VAL 66 3HG1 VAL 66 -1.669 0.205 -5.127 407 1HG2 VAL 66 1HG2 VAL 66 -1.768 -3.580 -4.362 408 2HG2 VAL 66 2HG2 VAL 66 -3.193 -3.726 -5.390 409 3HG2 VAL 66 3HG2 VAL 66 -1.650 -3.228 -6.087 410 H THR 67 H THR 67 -1.802 0.478 -2.775 411 HA THR 67 HA THR 67 -3.849 2.472 -3.477 412 HB THR 67 HB THR 67 -4.412 3.140 -1.373 413 HG1 THR 67 HG1 THR 67 -2.623 2.883 0.317 414 1HG2 THR 67 1HG2 THR 67 -4.746 0.704 -1.207 415 2HG2 THR 67 2HG2 THR 67 -3.099 0.520 -0.607 416 3HG2 THR 67 3HG2 THR 67 -4.295 1.393 0.352 417 H ALA 68 H ALA 68 -2.835 4.705 -3.383 418 HA ALA 68 HA ALA 68 0.098 4.697 -3.030 419 1HB ALA 68 1HB ALA 68 -0.761 4.091 -5.521 420 2HB ALA 68 2HB ALA 68 -0.740 5.853 -5.629 421 3HB ALA 68 3HB ALA 68 0.733 4.977 -5.204 422 H VAL 69 H VAL 69 1.020 6.774 -2.957 423 HA VAL 69 HA VAL 69 -0.899 9.056 -2.786 424 HB VAL 69 HB VAL 69 1.560 9.071 -1.093 425 1HG1 VAL 69 1HG1 VAL 69 -0.611 10.711 -1.398 426 2HG1 VAL 69 2HG1 VAL 69 -1.095 9.752 0.001 427 3HG1 VAL 69 3HG1 VAL 69 0.409 10.672 0.039 428 1HG2 VAL 69 1HG2 VAL 69 -0.762 7.204 -0.719 429 2HG2 VAL 69 2HG2 VAL 69 0.951 6.929 -0.404 430 3HG2 VAL 69 3HG2 VAL 69 0.001 7.922 0.700 431 H LEU 70 H LEU 70 -0.296 10.573 -4.293 432 HA LEU 70 HA LEU 70 2.372 10.310 -5.536 433 1HB LEU 70 1HB LEU 70 0.051 12.167 -6.122 434 2HB LEU 70 2HB LEU 70 1.566 12.174 -7.010 435 HG LEU 70 HG LEU 70 -0.430 10.839 -7.990 436 1HD1 LEU 70 1HD1 LEU 70 2.212 10.730 -8.354 437 2HD1 LEU 70 2HD1 LEU 70 1.940 9.082 -7.786 438 3HD1 LEU 70 3HD1 LEU 70 1.082 9.677 -9.208 439 1HD2 LEU 70 1HD2 LEU 70 -0.893 9.667 -5.798 440 2HD2 LEU 70 2HD2 LEU 70 -0.723 8.593 -7.187 441 3HD2 LEU 70 3HD2 LEU 70 0.606 8.768 -6.041 442 H ALA 71 H ALA 71 4.032 11.854 -5.324 443 HA ALA 71 HA ALA 71 3.362 14.195 -3.603 444 1HB ALA 71 1HB ALA 71 5.814 12.454 -3.350 445 2HB ALA 71 2HB ALA 71 5.589 14.015 -2.554 446 3HB ALA 71 3HB ALA 71 4.529 12.659 -2.156 447 H LEU 72 H LEU 72 3.549 15.822 -4.903 448 HA LEU 72 HA LEU 72 5.769 15.935 -6.894 449 1HB LEU 72 1HB LEU 72 3.190 17.483 -6.592 450 2HB LEU 72 2HB LEU 72 4.420 17.876 -7.793 451 HG LEU 72 HG LEU 72 4.180 15.295 -8.389 452 1HD1 LEU 72 1HD1 LEU 72 2.349 15.376 -6.394 453 2HD1 LEU 72 2HD1 LEU 72 1.312 15.767 -7.764 454 3HD1 LEU 72 3HD1 LEU 72 2.234 14.263 -7.754 455 1HD2 LEU 72 1HD2 LEU 72 3.125 17.748 -9.383 456 2HD2 LEU 72 2HD2 LEU 72 3.420 16.259 -10.280 457 3HD2 LEU 72 3HD2 LEU 72 1.850 16.539 -9.526 458 H GLY 73 H GLY 73 4.803 17.053 -3.864 459 1HA GLY 73 1HA GLY 73 6.461 18.351 -2.543 460 2HA GLY 73 2HA GLY 73 6.753 19.317 -3.996 461 H ALA 74 H ALA 74 4.262 19.837 -4.926 462 HA ALA 74 HA ALA 74 2.937 21.274 -2.663 463 1HB ALA 74 1HB ALA 74 4.076 22.771 -4.307 464 2HB ALA 74 2HB ALA 74 3.044 22.104 -5.574 465 3HB ALA 74 3HB ALA 74 2.331 23.023 -4.248 466 H GLY 75 H GLY 75 2.567 18.793 -4.893 467 1HA GLY 75 1HA GLY 75 -0.388 18.891 -4.549 468 2HA GLY 75 2HA GLY 75 0.274 18.647 -6.167 469 H SER 76 H SER 76 -1.373 16.712 -4.993 470 HA SER 76 HA SER 76 0.488 14.409 -4.908 471 1HB SER 76 1HB SER 76 -0.113 13.660 -2.779 472 2HB SER 76 2HB SER 76 -0.084 15.403 -2.526 473 HG SER 76 HG SER 76 -2.208 15.427 -2.395 474 H ALA 77 H ALA 77 -1.100 12.361 -4.504 475 HA ALA 77 HA ALA 77 -3.717 12.699 -5.804 476 1HB ALA 77 1HB ALA 77 -1.473 12.114 -7.388 477 2HB ALA 77 2HB ALA 77 -2.271 10.560 -7.148 478 3HB ALA 77 3HB ALA 77 -3.164 11.911 -7.848 479 H LEU 78 H LEU 78 -5.029 10.742 -5.559 480 HA LEU 78 HA LEU 78 -3.931 8.913 -3.464 481 1HB LEU 78 1HB LEU 78 -6.437 10.369 -3.695 482 2HB LEU 78 2HB LEU 78 -6.715 8.638 -3.494 483 HG LEU 78 HG LEU 78 -4.779 8.971 -1.656 484 1HD1 LEU 78 1HD1 LEU 78 -6.005 11.655 -2.142 485 2HD1 LEU 78 2HD1 LEU 78 -5.669 11.189 -0.473 486 3HD1 LEU 78 3HD1 LEU 78 -4.360 11.245 -1.655 487 1HD2 LEU 78 1HD2 LEU 78 -7.729 9.013 -1.635 488 2HD2 LEU 78 2HD2 LEU 78 -6.611 8.021 -0.698 489 3HD2 LEU 78 3HD2 LEU 78 -6.983 9.664 -0.176 490 H LEU 79 H LEU 79 -3.632 6.844 -4.073 491 HA LEU 79 HA LEU 79 -5.115 5.883 -6.479 492 1HB LEU 79 1HB LEU 79 -2.336 5.883 -5.791 493 2HB LEU 79 2HB LEU 79 -2.881 4.213 -5.847 494 HG LEU 79 HG LEU 79 -2.221 5.891 -8.023 495 1HD1 LEU 79 1HD1 LEU 79 -3.566 3.184 -7.874 496 2HD1 LEU 79 2HD1 LEU 79 -2.810 3.849 -9.320 497 3HD1 LEU 79 3HD1 LEU 79 -1.830 3.489 -7.900 498 1HD2 LEU 79 1HD2 LEU 79 -4.525 6.790 -7.905 499 2HD2 LEU 79 2HD2 LEU 79 -4.272 5.839 -9.371 500 3HD2 LEU 79 3HD2 LEU 79 -5.159 5.145 -8.012 501 H GLY 80 H GLY 80 -5.799 3.680 -6.472 502 1HA GLY 80 1HA GLY 80 -5.622 2.062 -4.072 503 2HA GLY 80 2HA GLY 80 -7.217 2.782 -4.281 504 H THR 81 H THR 81 -4.934 0.459 -5.591 505 HA THR 81 HA THR 81 -6.981 -0.370 -7.608 506 HB THR 81 HB THR 81 -5.287 -0.877 -9.021 507 HG1 THR 81 HG1 THR 81 -4.161 -2.542 -8.489 508 1HG2 THR 81 1HG2 THR 81 -4.519 1.291 -7.898 509 2HG2 THR 81 2HG2 THR 81 -3.390 0.292 -6.983 510 3HG2 THR 81 3HG2 THR 81 -3.278 0.363 -8.742 511 H ASP 82 H ASP 82 -6.809 -2.884 -8.006 512 HA ASP 82 HA ASP 82 -6.769 -4.248 -5.341 513 1HB ASP 82 1HB ASP 82 -8.621 -5.654 -6.134 514 2HB ASP 82 2HB ASP 82 -9.076 -3.952 -6.217 515 H VAL 83 H VAL 83 -6.246 -6.606 -5.504 516 HA VAL 83 HA VAL 83 -4.863 -7.380 -8.019 517 HB VAL 83 HB VAL 83 -3.611 -7.122 -5.288 518 1HG1 VAL 83 1HG1 VAL 83 -3.217 -9.298 -7.072 519 2HG1 VAL 83 2HG1 VAL 83 -1.800 -8.265 -7.210 520 3HG1 VAL 83 3HG1 VAL 83 -2.281 -8.896 -5.635 521 1HG2 VAL 83 1HG2 VAL 83 -2.941 -6.160 -8.076 522 2HG2 VAL 83 2HG2 VAL 83 -3.396 -5.179 -6.682 523 3HG2 VAL 83 3HG2 VAL 83 -1.839 -6.007 -6.709 524 H GLN 84 H GLN 84 -4.714 -9.629 -8.320 525 HA GLN 84 HA GLN 84 -5.862 -11.378 -6.194 526 1HB GLN 84 1HB GLN 84 -6.849 -10.976 -8.998 527 2HB GLN 84 2HB GLN 84 -6.945 -12.591 -8.293 528 1HG GLN 84 1HG GLN 84 -8.719 -11.995 -7.036 529 2HG GLN 84 2HG GLN 84 -7.838 -10.616 -6.378 530 1HE2 GLN 84 2HE2 GLN 84 -9.332 -11.517 -9.551 531 2HE2 GLN 84 1HE2 GLN 84 -10.037 -9.995 -9.809 532 H VAL 85 H VAL 85 -3.887 -12.412 -5.787 533 HA VAL 85 HA VAL 85 -2.348 -13.444 -8.099 534 HB VAL 85 HB VAL 85 -1.757 -13.122 -5.162 535 1HG1 VAL 85 1HG1 VAL 85 -0.249 -14.713 -7.247 536 2HG1 VAL 85 2HG1 VAL 85 0.547 -14.049 -5.818 537 3HG1 VAL 85 3HG1 VAL 85 -0.750 -15.233 -5.638 538 1HG2 VAL 85 1HG2 VAL 85 -0.657 -12.048 -7.766 539 2HG2 VAL 85 2HG2 VAL 85 -1.448 -11.147 -6.470 540 3HG2 VAL 85 3HG2 VAL 85 0.162 -11.825 -6.217 541 H GLU 86 H GLU 86 -2.088 -15.605 -8.525 542 HA GLU 86 HA GLU 86 -3.738 -17.482 -6.880 543 1HB GLU 86 1HB GLU 86 -2.777 -18.023 -9.688 544 2HB GLU 86 2HB GLU 86 -4.155 -18.729 -8.842 545 1HG GLU 86 1HG GLU 86 -3.920 -15.846 -9.754 546 2HG GLU 86 2HG GLU 86 -4.929 -17.086 -10.496 547 H ALA 87 H ALA 87 -2.584 -19.859 -7.987 548 HA ALA 87 HA ALA 87 0.303 -19.716 -7.372 549 1HB ALA 87 1HB ALA 87 -1.650 -20.561 -5.438 550 2HB ALA 87 2HB ALA 87 -0.673 -21.952 -5.907 551 3HB ALA 87 3HB ALA 87 0.105 -20.502 -5.271 Start of MODEL 2 1 H ALA 8 H ALA 8 -3.925 9.808 -8.404 2 HA ALA 8 HA ALA 8 -3.803 10.432 -11.306 3 1HB ALA 8 1HB ALA 8 -2.000 8.933 -9.397 4 2HB ALA 8 2HB ALA 8 -1.808 8.792 -11.147 5 3HB ALA 8 3HB ALA 8 -1.633 10.361 -10.366 6 H THR 9 H THR 9 -3.924 8.662 -12.863 7 HA THR 9 HA THR 9 -6.074 6.845 -12.259 8 HB THR 9 HB THR 9 -5.319 7.870 -14.557 9 HG1 THR 9 HG1 THR 9 -7.050 6.687 -14.759 10 1HG2 THR 9 1HG2 THR 9 -3.078 6.501 -14.218 11 2HG2 THR 9 2HG2 THR 9 -4.039 5.194 -14.906 12 3HG2 THR 9 3HG2 THR 9 -3.789 6.680 -15.822 13 H LEU 10 H LEU 10 -6.006 4.618 -12.122 14 HA LEU 10 HA LEU 10 -3.643 3.529 -10.764 15 1HB LEU 10 1HB LEU 10 -6.341 2.318 -11.487 16 2HB LEU 10 2HB LEU 10 -5.126 1.527 -10.492 17 HG LEU 10 HG LEU 10 -5.282 3.425 -8.876 18 1HD1 LEU 10 1HD1 LEU 10 -7.459 4.304 -10.777 19 2HD1 LEU 10 2HD1 LEU 10 -7.411 4.826 -9.093 20 3HD1 LEU 10 3HD1 LEU 10 -6.093 5.249 -10.182 21 1HD2 LEU 10 1HD2 LEU 10 -7.490 1.569 -9.558 22 2HD2 LEU 10 2HD2 LEU 10 -6.562 1.716 -8.067 23 3HD2 LEU 10 3HD2 LEU 10 -7.873 2.846 -8.403 24 H VAL 11 H VAL 11 -1.982 2.849 -12.172 25 HA VAL 11 HA VAL 11 -2.882 1.085 -14.419 26 HB VAL 11 HB VAL 11 -0.270 2.488 -14.604 27 1HG1 VAL 11 1HG1 VAL 11 -2.430 1.422 -16.400 28 2HG1 VAL 11 2HG1 VAL 11 -1.351 2.671 -17.019 29 3HG1 VAL 11 3HG1 VAL 11 -0.691 1.134 -16.458 30 1HG2 VAL 11 1HG2 VAL 11 -2.949 3.813 -14.572 31 2HG2 VAL 11 2HG2 VAL 11 -1.372 4.463 -14.124 32 3HG2 VAL 11 3HG2 VAL 11 -1.817 4.319 -15.824 33 H GLY 12 H GLY 12 -2.474 -0.936 -13.564 34 1HA GLY 12 1HA GLY 12 0.241 -1.358 -12.374 35 2HA GLY 12 2HA GLY 12 -1.189 -2.237 -11.840 36 HA PRO 13 HA PRO 13 -0.064 -3.866 -16.239 37 1HB PRO 13 1HB PRO 13 2.416 -3.119 -17.161 38 2HB PRO 13 2HB PRO 13 0.920 -2.243 -17.524 39 1HG PRO 13 1HG PRO 13 3.091 -1.541 -15.585 40 2HG PRO 13 2HG PRO 13 2.027 -0.470 -16.516 41 1HD PRO 13 1HD PRO 13 1.688 -1.074 -13.807 42 2HD PRO 13 2HD PRO 13 0.415 -0.457 -14.877 43 H HIS 14 H HIS 14 0.989 -5.805 -16.671 44 HA HIS 14 HA HIS 14 3.414 -6.838 -15.928 45 1HB HIS 14 1HB HIS 14 3.035 -6.340 -13.583 46 2HB HIS 14 2HB HIS 14 1.457 -7.125 -13.633 47 HD1 HIS 14 HD1 HIS 14 1.412 -9.718 -13.660 48 HD2 HIS 14 HD2 HIS 14 5.259 -8.121 -13.544 49 HE1 HIS 14 HE1 HIS 14 2.972 -11.641 -13.128 50 H GLY 15 H GLY 15 -0.018 -7.458 -15.840 51 1HA GLY 15 1HA GLY 15 -0.992 -9.047 -17.465 52 2HA GLY 15 2HA GLY 15 0.456 -10.040 -17.264 53 HA PRO 16 HA PRO 16 -2.395 -11.939 -14.319 54 1HB PRO 16 1HB PRO 16 -1.218 -14.412 -14.482 55 2HB PRO 16 2HB PRO 16 -2.455 -13.845 -15.618 56 1HG PRO 16 1HG PRO 16 0.486 -14.128 -16.038 57 2HG PRO 16 2HG PRO 16 -0.827 -14.185 -17.226 58 1HD PRO 16 1HD PRO 16 0.882 -11.977 -16.757 59 2HD PRO 16 2HD PRO 16 -0.637 -11.942 -17.680 60 H LEU 17 H LEU 17 -1.986 -12.457 -12.110 61 HA LEU 17 HA LEU 17 0.859 -12.092 -11.275 62 1HB LEU 17 1HB LEU 17 -1.643 -10.971 -10.322 63 2HB LEU 17 2HB LEU 17 -0.786 -11.797 -9.021 64 HG LEU 17 HG LEU 17 -0.037 -9.486 -9.098 65 1HD1 LEU 17 1HD1 LEU 17 1.621 -11.480 -8.836 66 2HD1 LEU 17 2HD1 LEU 17 2.175 -11.021 -10.446 67 3HD1 LEU 17 3HD1 LEU 17 2.281 -9.868 -9.116 68 1HD2 LEU 17 1HD2 LEU 17 0.132 -10.079 -12.022 69 2HD2 LEU 17 2HD2 LEU 17 -0.402 -8.610 -11.203 70 3HD2 LEU 17 3HD2 LEU 17 1.321 -8.962 -11.347 71 H ALA 18 H ALA 18 1.791 -13.977 -10.710 72 HA ALA 18 HA ALA 18 0.072 -16.123 -9.551 73 1HB ALA 18 1HB ALA 18 1.477 -16.577 -11.641 74 2HB ALA 18 2HB ALA 18 2.895 -16.426 -10.603 75 3HB ALA 18 3HB ALA 18 1.711 -17.698 -10.300 76 H SER 19 H SER 19 1.043 -17.343 -7.717 77 HA SER 19 HA SER 19 1.924 -15.653 -5.631 78 1HB SER 19 1HB SER 19 0.950 -17.886 -5.234 79 2HB SER 19 2HB SER 19 2.386 -18.636 -5.924 80 HG SER 19 HG SER 19 3.090 -16.831 -4.068 81 H GLY 20 H GLY 20 3.827 -14.617 -5.437 82 1HA GLY 20 1HA GLY 20 6.211 -14.507 -5.235 83 2HA GLY 20 2HA GLY 20 6.331 -16.032 -6.116 84 H GLN 21 H GLN 21 4.665 -12.981 -6.965 85 HA GLN 21 HA GLN 21 6.435 -12.854 -9.372 86 1HB GLN 21 1HB GLN 21 3.461 -12.793 -9.178 87 2HB GLN 21 2HB GLN 21 4.222 -11.742 -10.373 88 1HG GLN 21 1HG GLN 21 4.669 -14.732 -10.117 89 2HG GLN 21 2HG GLN 21 3.692 -13.942 -11.355 90 1HE2 GLN 21 2HE2 GLN 21 4.817 -12.728 -13.038 91 2HE2 GLN 21 1HE2 GLN 21 6.491 -12.881 -13.274 92 H LEU 22 H LEU 22 6.820 -10.748 -10.215 93 HA LEU 22 HA LEU 22 6.456 -8.578 -8.198 94 1HB LEU 22 1HB LEU 22 8.800 -9.382 -8.990 95 2HB LEU 22 2HB LEU 22 8.423 -8.536 -10.487 96 HG LEU 22 HG LEU 22 9.711 -7.159 -8.807 97 1HD1 LEU 22 1HD1 LEU 22 7.888 -6.328 -10.579 98 2HD1 LEU 22 2HD1 LEU 22 7.050 -5.842 -9.103 99 3HD1 LEU 22 3HD1 LEU 22 8.657 -5.210 -9.451 100 1HD2 LEU 22 1HD2 LEU 22 7.849 -8.201 -7.022 101 2HD2 LEU 22 2HD2 LEU 22 8.973 -6.883 -6.692 102 3HD2 LEU 22 3HD2 LEU 22 7.333 -6.526 -7.234 103 H ALA 23 H ALA 23 4.392 -7.836 -8.944 104 HA ALA 23 HA ALA 23 3.895 -7.268 -11.749 105 1HB ALA 23 1HB ALA 23 2.518 -6.704 -9.157 106 2HB ALA 23 2HB ALA 23 2.091 -5.707 -10.549 107 3HB ALA 23 3HB ALA 23 1.884 -7.455 -10.620 108 H ALA 24 H ALA 24 3.790 -5.001 -12.659 109 HA ALA 24 HA ALA 24 5.524 -3.146 -11.065 110 1HB ALA 24 1HB ALA 24 5.526 -3.680 -14.044 111 2HB ALA 24 2HB ALA 24 6.332 -2.293 -13.308 112 3HB ALA 24 3HB ALA 24 6.849 -3.934 -12.900 113 H PHE 25 H PHE 25 4.242 -1.543 -10.377 114 HA PHE 25 HA PHE 25 1.871 -0.787 -11.987 115 1HB PHE 25 1HB PHE 25 2.714 -0.199 -9.148 116 2HB PHE 25 2HB PHE 25 1.304 0.515 -9.909 117 HD1 PHE 25 HD1 PHE 25 2.796 -2.949 -9.735 118 HD2 PHE 25 HD2 PHE 25 -0.672 -0.419 -9.304 119 HE1 PHE 25 HE1 PHE 25 1.410 -4.925 -9.154 120 HE2 PHE 25 HE2 PHE 25 -2.041 -2.410 -8.722 121 HZ PHE 25 HZ PHE 25 -1.001 -4.658 -8.651 122 H HIS 26 H HIS 26 1.254 1.546 -11.757 123 HA HIS 26 HA HIS 26 3.147 3.609 -11.358 124 1HB HIS 26 1HB HIS 26 3.802 4.279 -13.504 125 2HB HIS 26 2HB HIS 26 3.945 2.529 -13.592 126 HD1 HIS 26 HD1 HIS 26 1.350 5.217 -14.414 127 HD2 HIS 26 HD2 HIS 26 2.606 1.469 -15.737 128 HE1 HIS 26 HE1 HIS 26 0.028 4.714 -16.513 129 H ILE 27 H ILE 27 2.078 5.639 -11.468 130 HA ILE 27 HA ILE 27 -0.872 5.388 -11.867 131 HB ILE 27 HB ILE 27 0.114 7.706 -10.323 132 1HG1 ILE 27 1HG1 ILE 27 1.510 5.411 -9.761 133 2HG1 ILE 27 2HG1 ILE 27 1.130 6.645 -8.568 134 1HG2 ILE 27 1HG2 ILE 27 -1.960 5.532 -9.935 135 2HG2 ILE 27 2HG2 ILE 27 -1.702 6.844 -8.783 136 3HG2 ILE 27 3HG2 ILE 27 -2.245 7.201 -10.427 137 1HD1 ILE 27 1HD1 ILE 27 -0.736 4.329 -9.167 138 2HD1 ILE 27 2HD1 ILE 27 0.509 4.269 -7.912 139 3HD1 ILE 27 3HD1 ILE 27 -0.788 5.450 -7.801 140 H ALA 28 H ALA 28 -1.949 7.321 -12.839 141 HA ALA 28 HA ALA 28 0.015 8.973 -14.404 142 1HB ALA 28 1HB ALA 28 -1.412 6.958 -15.514 143 2HB ALA 28 2HB ALA 28 -2.524 8.307 -15.746 144 3HB ALA 28 3HB ALA 28 -0.888 8.391 -16.400 145 H ALA 29 H ALA 29 -0.307 11.091 -14.123 146 HA ALA 29 HA ALA 29 -2.658 12.503 -14.594 147 1HB ALA 29 1HB ALA 29 -2.535 11.422 -11.846 148 2HB ALA 29 2HB ALA 29 -2.930 13.136 -11.960 149 3HB ALA 29 3HB ALA 29 -3.929 11.942 -12.790 150 HA PRO 30 HA PRO 30 0.299 15.506 -12.474 151 1HB PRO 30 1HB PRO 30 2.028 14.578 -10.550 152 2HB PRO 30 2HB PRO 30 0.385 15.134 -10.189 153 1HG PRO 30 1HG PRO 30 1.440 12.346 -10.305 154 2HG PRO 30 2HG PRO 30 0.091 12.996 -9.361 155 1HD PRO 30 1HD PRO 30 -0.138 11.505 -11.744 156 2HD PRO 30 2HD PRO 30 -1.421 12.475 -10.990 157 H LEU 31 H LEU 31 1.070 14.885 -14.714 158 HA LEU 31 HA LEU 31 2.984 13.165 -15.555 159 1HB LEU 31 1HB LEU 31 2.153 15.775 -16.375 160 2HB LEU 31 2HB LEU 31 3.907 15.678 -16.528 161 HG LEU 31 HG LEU 31 2.868 14.889 -18.593 162 1HD1 LEU 31 1HD1 LEU 31 4.859 13.648 -17.308 163 2HD1 LEU 31 2HD1 LEU 31 3.692 12.325 -17.304 164 3HD1 LEU 31 3HD1 LEU 31 4.217 13.033 -18.831 165 1HD2 LEU 31 1HD2 LEU 31 0.855 13.981 -16.952 166 2HD2 LEU 31 2HD2 LEU 31 1.043 13.531 -18.647 167 3HD2 LEU 31 3HD2 LEU 31 1.677 12.480 -17.379 168 HA PRO 32 HA PRO 32 6.690 15.531 -13.756 169 1HB PRO 32 1HB PRO 32 6.215 17.790 -12.268 170 2HB PRO 32 2HB PRO 32 6.436 17.806 -14.025 171 1HG PRO 32 1HG PRO 32 3.930 18.138 -12.450 172 2HG PRO 32 2HG PRO 32 4.318 18.720 -14.077 173 1HD PRO 32 1HD PRO 32 2.733 16.454 -13.440 174 2HD PRO 32 2HD PRO 32 3.352 16.890 -15.045 175 H VAL 33 H VAL 33 6.318 13.523 -12.360 176 HA VAL 33 HA VAL 33 5.675 14.267 -9.529 177 HB VAL 33 HB VAL 33 5.452 11.626 -10.987 178 1HG1 VAL 33 1HG1 VAL 33 5.357 12.214 -8.013 179 2HG1 VAL 33 2HG1 VAL 33 4.792 10.709 -8.739 180 3HG1 VAL 33 3HG1 VAL 33 6.496 11.152 -8.842 181 1HG2 VAL 33 1HG2 VAL 33 3.656 13.716 -10.391 182 2HG2 VAL 33 2HG2 VAL 33 3.251 12.110 -10.995 183 3HG2 VAL 33 3HG2 VAL 33 3.274 12.421 -9.258 184 H THR 34 H THR 34 7.137 13.525 -7.888 185 HA THR 34 HA THR 34 9.803 12.710 -8.951 186 HB THR 34 HB THR 34 10.691 13.833 -6.843 187 HG1 THR 34 HG1 THR 34 8.912 14.058 -5.613 188 1HG2 THR 34 1HG2 THR 34 9.333 15.293 -9.097 189 2HG2 THR 34 2HG2 THR 34 10.168 16.188 -7.827 190 3HG2 THR 34 3HG2 THR 34 11.057 15.036 -8.824 191 H ALA 35 H ALA 35 7.372 12.098 -6.527 192 HA ALA 35 HA ALA 35 8.588 9.482 -6.002 193 1HB ALA 35 1HB ALA 35 8.989 11.745 -4.219 194 2HB ALA 35 2HB ALA 35 8.170 10.415 -3.401 195 3HB ALA 35 3HB ALA 35 9.731 10.145 -4.178 196 H THR 36 H THR 36 7.110 8.015 -5.220 197 HA THR 36 HA THR 36 4.381 9.036 -4.548 198 HB THR 36 HB THR 36 4.200 8.200 -6.804 199 HG1 THR 36 HG1 THR 36 2.893 6.335 -6.416 200 1HG2 THR 36 1HG2 THR 36 6.392 6.903 -6.619 201 2HG2 THR 36 2HG2 THR 36 5.444 5.613 -5.884 202 3HG2 THR 36 3HG2 THR 36 5.103 6.125 -7.536 203 H ARG 37 H ARG 37 3.170 7.527 -3.183 204 HA ARG 37 HA ARG 37 4.918 5.541 -1.806 205 1HB ARG 37 1HB ARG 37 3.803 7.875 -0.690 206 2HB ARG 37 2HB ARG 37 2.819 6.541 -0.088 207 1HG ARG 37 1HG ARG 37 5.111 5.379 0.370 208 2HG ARG 37 2HG ARG 37 5.772 7.009 0.253 209 1HD ARG 37 1HD ARG 37 3.846 5.890 2.269 210 2HD ARG 37 2HD ARG 37 5.297 6.854 2.536 211 HE ARG 37 HE ARG 37 2.766 7.999 1.420 212 1HH1 ARG 37 1HH1 ARG 37 5.905 8.860 2.087 213 2HH1 ARG 37 2HH1 ARG 37 5.522 10.153 3.173 214 1HH2 ARG 37 1HH2 ARG 37 2.148 9.370 3.338 215 2HH2 ARG 37 2HH2 ARG 37 3.395 10.444 3.879 216 H TRP 38 H TRP 38 4.096 3.646 -2.618 217 HA TRP 38 HA TRP 38 1.191 3.336 -3.027 218 1HB TRP 38 1HB TRP 38 3.425 1.337 -3.391 219 2HB TRP 38 2HB TRP 38 1.757 1.120 -3.892 220 HD1 TRP 38 HD1 TRP 38 4.582 3.706 -4.521 221 HE1 TRP 38 HE1 TRP 38 4.483 4.354 -7.013 222 HE3 TRP 38 HE3 TRP 38 0.517 0.999 -5.986 223 HZ2 TRP 38 HZ2 TRP 38 2.906 3.806 -9.313 224 HZ3 TRP 38 HZ3 TRP 38 -0.268 1.085 -8.332 225 HH2 TRP 38 HH2 TRP 38 0.920 2.485 -9.996 226 H ASP 39 H ASP 39 0.476 0.972 -2.299 227 HA ASP 39 HA ASP 39 1.547 0.271 0.347 228 1HB ASP 39 1HB ASP 39 -0.862 1.820 0.029 229 2HB ASP 39 2HB ASP 39 -1.281 0.226 0.661 230 H PHE 40 H PHE 40 2.052 -1.804 -0.268 231 HA PHE 40 HA PHE 40 0.247 -3.272 -2.056 232 1HB PHE 40 1HB PHE 40 2.635 -4.396 -0.578 233 2HB PHE 40 2HB PHE 40 1.860 -5.038 -2.024 234 HD1 PHE 40 HD1 PHE 40 1.492 -1.898 -2.952 235 HD2 PHE 40 HD2 PHE 40 4.773 -4.515 -1.974 236 HE1 PHE 40 HE1 PHE 40 3.011 -0.549 -4.367 237 HE2 PHE 40 HE2 PHE 40 6.270 -3.153 -3.391 238 HZ PHE 40 HZ PHE 40 5.394 -1.175 -4.588 239 H GLY 41 H GLY 41 1.541 -4.194 1.170 240 1HA GLY 41 1HA GLY 41 0.095 -4.854 3.015 241 2HA GLY 41 2HA GLY 41 -1.206 -5.129 1.855 242 H ASP 42 H ASP 42 1.756 -6.332 0.734 243 HA ASP 42 HA ASP 42 0.890 -9.123 1.287 244 1HB ASP 42 1HB ASP 42 2.731 -9.642 -0.388 245 2HB ASP 42 2HB ASP 42 1.408 -8.671 -1.030 246 H GLY 43 H GLY 43 2.074 -7.396 3.350 247 1HA GLY 43 1HA GLY 43 3.553 -8.316 5.130 248 2HA GLY 43 2HA GLY 43 4.638 -8.848 3.832 249 H SER 44 H SER 44 4.227 -6.545 2.168 250 HA SER 44 HA SER 44 5.736 -4.487 3.722 251 1HB SER 44 1HB SER 44 5.600 -4.942 0.720 252 2HB SER 44 2HB SER 44 6.573 -3.719 1.532 253 HG SER 44 HG SER 44 6.833 -6.529 1.546 254 H ALA 45 H ALA 45 4.068 -3.194 4.497 255 HA ALA 45 HA ALA 45 1.710 -2.608 2.917 256 1HB ALA 45 1HB ALA 45 2.789 -1.654 5.548 257 2HB ALA 45 2HB ALA 45 1.430 -0.818 4.797 258 3HB ALA 45 3HB ALA 45 1.294 -2.526 5.215 259 H GLU 46 H GLU 46 3.536 -0.055 4.428 260 HA GLU 46 HA GLU 46 3.100 1.910 2.486 261 1HB GLU 46 1HB GLU 46 5.453 1.543 4.359 262 2HB GLU 46 2HB GLU 46 5.171 3.008 3.419 263 1HG GLU 46 1HG GLU 46 3.630 3.737 4.890 264 2HG GLU 46 2HG GLU 46 2.749 2.213 4.793 265 H VAL 47 H VAL 47 4.225 2.592 0.644 266 HA VAL 47 HA VAL 47 6.455 0.825 -0.266 267 HB VAL 47 HB VAL 47 4.056 1.750 -1.874 268 1HG1 VAL 47 1HG1 VAL 47 6.334 1.679 -3.052 269 2HG1 VAL 47 2HG1 VAL 47 6.296 -0.061 -2.775 270 3HG1 VAL 47 3HG1 VAL 47 5.046 0.703 -3.755 271 1HG2 VAL 47 1HG2 VAL 47 4.194 -0.358 -0.165 272 2HG2 VAL 47 2HG2 VAL 47 3.220 -0.358 -1.634 273 3HG2 VAL 47 3HG2 VAL 47 4.819 -1.101 -1.635 274 H ASP 48 H ASP 48 8.152 2.269 -0.243 275 HA ASP 48 HA ASP 48 7.750 5.055 -1.106 276 1HB ASP 48 1HB ASP 48 10.290 3.539 -0.410 277 2HB ASP 48 2HB ASP 48 10.167 5.282 -0.653 278 H ALA 49 H ALA 49 7.656 5.466 -3.281 279 HA ALA 49 HA ALA 49 9.446 3.857 -5.061 280 1HB ALA 49 1HB ALA 49 6.626 3.859 -5.026 281 2HB ALA 49 2HB ALA 49 7.102 4.783 -6.451 282 3HB ALA 49 3HB ALA 49 7.681 3.131 -6.238 283 H ALA 50 H ALA 50 9.892 4.953 -7.159 284 HA ALA 50 HA ALA 50 10.329 7.851 -6.710 285 1HB ALA 50 1HB ALA 50 11.620 5.726 -8.322 286 2HB ALA 50 2HB ALA 50 11.542 7.312 -9.088 287 3HB ALA 50 3HB ALA 50 12.337 7.126 -7.525 288 H GLY 51 H GLY 51 9.674 9.414 -8.276 289 1HA GLY 51 1HA GLY 51 8.002 10.374 -9.625 290 2HA GLY 51 2HA GLY 51 8.419 9.057 -10.724 291 HA PRO 52 HA PRO 52 4.152 8.137 -9.449 292 1HB PRO 52 1HB PRO 52 3.166 7.967 -12.001 293 2HB PRO 52 2HB PRO 52 3.271 9.494 -11.109 294 1HG PRO 52 1HG PRO 52 4.912 8.559 -13.398 295 2HG PRO 52 2HG PRO 52 4.642 10.209 -12.815 296 1HD PRO 52 1HD PRO 52 6.950 8.554 -12.343 297 2HD PRO 52 2HD PRO 52 6.632 10.175 -11.686 298 H ALA 53 H ALA 53 6.460 6.204 -9.748 299 HA ALA 53 HA ALA 53 4.854 3.977 -10.923 300 1HB ALA 53 1HB ALA 53 7.412 5.020 -11.904 301 2HB ALA 53 2HB ALA 53 7.409 3.276 -11.642 302 3HB ALA 53 3HB ALA 53 6.216 4.008 -12.716 303 H ALA 54 H ALA 54 5.428 1.872 -10.205 304 HA ALA 54 HA ALA 54 7.439 1.415 -8.155 305 1HB ALA 54 1HB ALA 54 4.506 1.496 -7.382 306 2HB ALA 54 2HB ALA 54 5.767 0.767 -6.386 307 3HB ALA 54 3HB ALA 54 5.797 2.497 -6.720 308 H SER 55 H SER 55 6.492 -0.917 -7.059 309 HA SER 55 HA SER 55 5.251 -2.547 -9.163 310 1HB SER 55 1HB SER 55 7.606 -3.966 -8.418 311 2HB SER 55 2HB SER 55 7.096 -3.436 -10.018 312 HG SER 55 HG SER 55 8.913 -2.316 -9.734 313 H HIS 56 H HIS 56 4.353 -4.428 -8.355 314 HA HIS 56 HA HIS 56 4.237 -4.584 -5.401 315 1HB HIS 56 1HB HIS 56 2.588 -5.660 -7.665 316 2HB HIS 56 2HB HIS 56 2.449 -6.368 -6.059 317 HD1 HIS 56 HD1 HIS 56 3.220 -2.745 -6.142 318 HD2 HIS 56 HD2 HIS 56 -0.179 -5.142 -5.944 319 HE1 HIS 56 HE1 HIS 56 1.321 -1.242 -5.385 320 H ARG 57 H ARG 57 5.235 -6.162 -4.270 321 HA ARG 57 HA ARG 57 6.439 -8.437 -5.785 322 1HB ARG 57 1HB ARG 57 7.886 -8.716 -3.754 323 2HB ARG 57 2HB ARG 57 8.103 -7.155 -4.541 324 1HG ARG 57 1HG ARG 57 6.003 -6.764 -2.709 325 2HG ARG 57 2HG ARG 57 7.199 -7.731 -1.846 326 1HD ARG 57 1HD ARG 57 7.671 -5.334 -1.569 327 2HD ARG 57 2HD ARG 57 8.959 -6.118 -2.483 328 HE ARG 57 HE ARG 57 6.842 -4.903 -4.124 329 1HH1 ARG 57 1HH2 ARG 57 8.285 -2.823 -2.399 330 2HH1 ARG 57 2HH2 ARG 57 9.543 -2.319 -3.479 331 1HH2 ARG 57 1HH1 ARG 57 9.160 -5.029 -5.609 332 2HH2 ARG 57 2HH1 ARG 57 10.039 -3.570 -5.298 333 H TYR 58 H TYR 58 4.416 -9.615 -5.813 334 HA TYR 58 HA TYR 58 3.259 -10.289 -3.175 335 1HB TYR 58 1HB TYR 58 2.401 -10.773 -6.027 336 2HB TYR 58 2HB TYR 58 1.589 -11.556 -4.667 337 HD1 TYR 58 HD1 TYR 58 1.733 -9.516 -2.582 338 HD2 TYR 58 HD2 TYR 58 0.889 -9.081 -6.768 339 HE1 TYR 58 HE1 TYR 58 0.486 -7.430 -2.110 340 HE2 TYR 58 HE2 TYR 58 -0.360 -6.993 -6.292 341 HH TYR 58 HH TYR 58 -0.287 -5.479 -3.161 342 H VAL 59 H VAL 59 3.534 -12.218 -2.172 343 HA VAL 59 HA VAL 59 4.973 -14.357 -3.686 344 HB VAL 59 HB VAL 59 6.255 -14.859 -1.669 345 1HG1 VAL 59 1HG1 VAL 59 6.952 -13.022 -3.315 346 2HG1 VAL 59 2HG1 VAL 59 6.368 -11.870 -2.114 347 3HG1 VAL 59 3HG1 VAL 59 7.697 -12.959 -1.718 348 1HG2 VAL 59 1HG2 VAL 59 4.167 -13.516 -0.372 349 2HG2 VAL 59 2HG2 VAL 59 5.645 -14.116 0.380 350 3HG2 VAL 59 3HG2 VAL 59 5.557 -12.448 -0.184 351 H LEU 60 H LEU 60 2.123 -13.634 -2.038 352 HA LEU 60 HA LEU 60 1.801 -16.508 -1.269 353 1HB LEU 60 1HB LEU 60 1.547 -14.339 0.389 354 2HB LEU 60 2HB LEU 60 -0.118 -14.566 -0.150 355 HG LEU 60 HG LEU 60 1.164 -17.103 0.495 356 1HD1 LEU 60 1HD1 LEU 60 1.894 -14.972 2.181 357 2HD1 LEU 60 2HD1 LEU 60 0.601 -15.818 3.032 358 3HD1 LEU 60 3HD1 LEU 60 2.047 -16.695 2.528 359 1HD2 LEU 60 1HD2 LEU 60 -1.378 -16.013 0.402 360 2HD2 LEU 60 2HD2 LEU 60 -0.971 -17.581 1.098 361 3HD2 LEU 60 3HD2 LEU 60 -1.082 -16.159 2.134 362 HA PRO 61 HA PRO 61 -1.310 -16.570 -4.390 363 1HB PRO 61 1HB PRO 61 -2.410 -18.991 -3.694 364 2HB PRO 61 2HB PRO 61 -0.879 -18.826 -4.569 365 1HG PRO 61 1HG PRO 61 -1.338 -19.549 -1.713 366 2HG PRO 61 2HG PRO 61 0.019 -19.968 -2.771 367 1HD PRO 61 1HD PRO 61 0.029 -17.952 -0.790 368 2HD PRO 61 2HD PRO 61 1.239 -18.158 -2.074 369 H GLY 62 H GLY 62 -2.967 -15.109 -4.024 370 1HA GLY 62 1HA GLY 62 -5.427 -15.830 -2.906 371 2HA GLY 62 2HA GLY 62 -4.532 -15.057 -1.597 372 H ARG 63 H ARG 63 -5.758 -13.154 -1.502 373 HA ARG 63 HA ARG 63 -5.797 -11.508 -3.996 374 1HB ARG 63 1HB ARG 63 -7.699 -10.334 -3.062 375 2HB ARG 63 2HB ARG 63 -8.016 -12.066 -2.960 376 1HG ARG 63 1HG ARG 63 -6.665 -11.473 -0.586 377 2HG ARG 63 2HG ARG 63 -7.767 -10.116 -0.814 378 1HD ARG 63 1HD ARG 63 -8.554 -13.043 -0.910 379 2HD ARG 63 2HD ARG 63 -8.847 -11.953 0.446 380 HE ARG 63 HE ARG 63 -10.174 -11.772 -2.216 381 1HH1 ARG 63 1HH2 ARG 63 -11.416 -12.327 0.580 382 2HH1 ARG 63 2HH2 ARG 63 -12.193 -10.807 0.873 383 1HH2 ARG 63 1HH1 ARG 63 -10.471 -9.144 -1.638 384 2HH2 ARG 63 2HH1 ARG 63 -11.657 -9.004 -0.383 385 H TYR 64 H TYR 64 -5.505 -9.160 -3.649 386 HA TYR 64 HA TYR 64 -4.039 -8.381 -1.193 387 1HB TYR 64 1HB TYR 64 -2.913 -8.303 -4.000 388 2HB TYR 64 2HB TYR 64 -2.279 -7.296 -2.709 389 HD1 TYR 64 HD1 TYR 64 -1.442 -8.494 -0.544 390 HD2 TYR 64 HD2 TYR 64 -2.215 -10.513 -4.267 391 HE1 TYR 64 HE1 TYR 64 0.000 -10.380 0.170 392 HE2 TYR 64 HE2 TYR 64 -0.774 -12.392 -3.544 393 HH TYR 64 HH TYR 64 1.029 -12.255 -0.488 394 H HIS 65 H HIS 65 -3.709 -5.943 -1.215 395 HA HIS 65 HA HIS 65 -5.751 -4.597 -2.941 396 1HB HIS 65 1HB HIS 65 -6.514 -4.798 -0.563 397 2HB HIS 65 2HB HIS 65 -5.085 -3.891 -0.065 398 HD1 HIS 65 HD1 HIS 65 -8.040 -3.463 -2.445 399 HD2 HIS 65 HD2 HIS 65 -5.479 -1.155 -0.102 400 HE1 HIS 65 HE1 HIS 65 -8.850 -1.071 -2.642 401 H VAL 66 H VAL 66 -5.179 -2.368 -3.521 402 HA VAL 66 HA VAL 66 -2.320 -1.704 -2.989 403 HB VAL 66 HB VAL 66 -3.688 -1.331 -5.647 404 1HG1 VAL 66 1HG1 VAL 66 -0.844 -1.119 -4.620 405 2HG1 VAL 66 2HG1 VAL 66 -1.222 -1.224 -6.344 406 3HG1 VAL 66 3HG1 VAL 66 -1.818 0.136 -5.393 407 1HG2 VAL 66 1HG2 VAL 66 -2.072 -3.639 -4.564 408 2HG2 VAL 66 2HG2 VAL 66 -3.616 -3.685 -5.416 409 3HG2 VAL 66 3HG2 VAL 66 -2.137 -3.297 -6.294 410 H THR 67 H THR 67 -1.866 0.478 -2.834 411 HA THR 67 HA THR 67 -3.917 2.485 -3.484 412 HB THR 67 HB THR 67 -4.456 3.139 -1.368 413 HG1 THR 67 HG1 THR 67 -2.914 3.330 0.241 414 1HG2 THR 67 1HG2 THR 67 -3.221 0.453 -0.695 415 2HG2 THR 67 2HG2 THR 67 -4.358 1.338 0.323 416 3HG2 THR 67 3HG2 THR 67 -4.874 0.723 -1.247 417 H ALA 68 H ALA 68 -2.904 4.698 -3.410 418 HA ALA 68 HA ALA 68 0.026 4.709 -3.036 419 1HB ALA 68 1HB ALA 68 -0.821 4.078 -5.530 420 2HB ALA 68 2HB ALA 68 -0.799 5.839 -5.650 421 3HB ALA 68 3HB ALA 68 0.670 4.967 -5.211 422 H VAL 69 H VAL 69 0.933 6.844 -3.077 423 HA VAL 69 HA VAL 69 -0.911 9.127 -3.237 424 HB VAL 69 HB VAL 69 -1.138 8.401 -0.902 425 1HG1 VAL 69 1HG1 VAL 69 1.438 7.552 -1.101 426 2HG1 VAL 69 2HG1 VAL 69 1.661 9.060 -0.216 427 3HG1 VAL 69 3HG1 VAL 69 0.606 7.804 0.433 428 1HG2 VAL 69 1HG2 VAL 69 -0.675 10.922 -1.763 429 2HG2 VAL 69 2HG2 VAL 69 -1.008 10.539 -0.074 430 3HG2 VAL 69 3HG2 VAL 69 0.655 10.756 -0.616 431 H LEU 70 H LEU 70 0.270 10.300 -4.702 432 HA LEU 70 HA LEU 70 3.215 10.238 -4.543 433 1HB LEU 70 1HB LEU 70 2.110 12.158 -6.440 434 2HB LEU 70 2HB LEU 70 3.215 10.820 -6.726 435 HG LEU 70 HG LEU 70 0.197 10.620 -6.505 436 1HD1 LEU 70 1HD1 LEU 70 1.508 11.683 -8.549 437 2HD1 LEU 70 2HD1 LEU 70 1.807 9.989 -8.944 438 3HD1 LEU 70 3HD1 LEU 70 0.152 10.586 -8.821 439 1HD2 LEU 70 1HD2 LEU 70 2.360 8.563 -7.032 440 2HD2 LEU 70 2HD2 LEU 70 1.135 8.528 -5.764 441 3HD2 LEU 70 3HD2 LEU 70 0.666 8.301 -7.452 442 H ALA 71 H ALA 71 4.492 12.147 -4.237 443 HA ALA 71 HA ALA 71 2.960 14.469 -3.149 444 1HB ALA 71 1HB ALA 71 5.425 13.193 -1.946 445 2HB ALA 71 2HB ALA 71 4.798 14.777 -1.479 446 3HB ALA 71 3HB ALA 71 3.826 13.327 -1.211 447 H LEU 72 H LEU 72 3.418 16.197 -4.296 448 HA LEU 72 HA LEU 72 6.059 16.386 -5.676 449 1HB LEU 72 1HB LEU 72 3.290 17.213 -6.319 450 2HB LEU 72 2HB LEU 72 4.564 18.332 -6.799 451 HG LEU 72 HG LEU 72 4.640 15.375 -7.453 452 1HD1 LEU 72 1HD1 LEU 72 2.716 16.953 -8.439 453 2HD1 LEU 72 2HD1 LEU 72 4.023 17.453 -9.513 454 3HD1 LEU 72 3HD1 LEU 72 3.536 15.759 -9.447 455 1HD2 LEU 72 1HD2 LEU 72 6.678 17.127 -7.424 456 2HD2 LEU 72 2HD2 LEU 72 6.549 15.870 -8.655 457 3HD2 LEU 72 3HD2 LEU 72 6.023 17.515 -9.015 458 H GLY 73 H GLY 73 4.182 17.644 -3.156 459 1HA GLY 73 1HA GLY 73 5.231 19.196 -1.551 460 2HA GLY 73 2HA GLY 73 6.009 19.997 -2.922 461 H ALA 74 H ALA 74 3.944 20.259 -4.699 462 HA ALA 74 HA ALA 74 2.023 22.007 -3.222 463 1HB ALA 74 1HB ALA 74 3.700 23.026 -4.918 464 2HB ALA 74 2HB ALA 74 2.684 22.276 -6.149 465 3HB ALA 74 3HB ALA 74 2.003 23.485 -5.061 466 H GLY 75 H GLY 75 2.272 19.116 -4.919 467 1HA GLY 75 1HA GLY 75 -0.661 19.009 -5.243 468 2HA GLY 75 2HA GLY 75 0.299 18.739 -6.698 469 H SER 76 H SER 76 -1.409 16.760 -5.528 470 HA SER 76 HA SER 76 0.601 14.628 -5.107 471 1HB SER 76 1HB SER 76 0.214 14.365 -2.899 472 2HB SER 76 2HB SER 76 -0.774 15.821 -2.928 473 HG SER 76 HG SER 76 -1.767 13.729 -2.231 474 H ALA 77 H ALA 77 -0.562 12.437 -5.091 475 HA ALA 77 HA ALA 77 -3.192 12.526 -6.479 476 1HB ALA 77 1HB ALA 77 -0.654 11.921 -7.713 477 2HB ALA 77 2HB ALA 77 -1.696 10.497 -7.751 478 3HB ALA 77 3HB ALA 77 -2.251 12.013 -8.459 479 H LEU 78 H LEU 78 -4.529 10.914 -5.722 480 HA LEU 78 HA LEU 78 -3.313 8.928 -3.874 481 1HB LEU 78 1HB LEU 78 -6.241 9.615 -4.218 482 2HB LEU 78 2HB LEU 78 -5.511 8.695 -2.902 483 HG LEU 78 HG LEU 78 -4.047 11.037 -2.875 484 1HD1 LEU 78 1HD1 LEU 78 -6.833 11.551 -3.856 485 2HD1 LEU 78 2HD1 LEU 78 -6.106 12.694 -2.727 486 3HD1 LEU 78 3HD1 LEU 78 -5.332 12.373 -4.279 487 1HD2 LEU 78 1HD2 LEU 78 -6.251 9.821 -1.312 488 2HD2 LEU 78 2HD2 LEU 78 -4.674 10.395 -0.771 489 3HD2 LEU 78 3HD2 LEU 78 -5.989 11.542 -1.029 490 H LEU 79 H LEU 79 -3.723 6.720 -4.077 491 HA LEU 79 HA LEU 79 -5.086 5.846 -6.578 492 1HB LEU 79 1HB LEU 79 -2.336 5.814 -6.139 493 2HB LEU 79 2HB LEU 79 -2.834 4.170 -5.757 494 HG LEU 79 HG LEU 79 -2.278 5.066 -8.264 495 1HD1 LEU 79 1HD1 LEU 79 -4.208 2.906 -7.416 496 2HD1 LEU 79 2HD1 LEU 79 -3.476 3.022 -9.016 497 3HD1 LEU 79 3HD1 LEU 79 -2.463 2.744 -7.601 498 1HD2 LEU 79 1HD2 LEU 79 -4.330 6.536 -8.114 499 2HD2 LEU 79 2HD2 LEU 79 -4.310 5.422 -9.484 500 3HD2 LEU 79 3HD2 LEU 79 -5.291 5.054 -8.063 501 H GLY 80 H GLY 80 -5.775 3.589 -6.498 502 1HA GLY 80 1HA GLY 80 -5.690 2.071 -4.048 503 2HA GLY 80 2HA GLY 80 -7.247 2.871 -4.241 504 H THR 81 H THR 81 -5.100 0.426 -5.610 505 HA THR 81 HA THR 81 -7.332 -0.414 -7.423 506 HB THR 81 HB THR 81 -5.798 -0.739 -9.040 507 HG1 THR 81 HG1 THR 81 -3.777 -1.954 -7.745 508 1HG2 THR 81 1HG2 THR 81 -3.789 0.213 -6.980 509 2HG2 THR 81 2HG2 THR 81 -3.506 0.128 -8.719 510 3HG2 THR 81 3HG2 THR 81 -4.716 1.239 -8.073 511 H ASP 82 H ASP 82 -7.152 -2.923 -7.852 512 HA ASP 82 HA ASP 82 -6.822 -4.271 -5.199 513 1HB ASP 82 1HB ASP 82 -9.200 -4.051 -6.121 514 2HB ASP 82 2HB ASP 82 -8.697 -5.154 -7.403 515 H VAL 83 H VAL 83 -6.035 -6.504 -5.322 516 HA VAL 83 HA VAL 83 -4.767 -7.200 -7.935 517 HB VAL 83 HB VAL 83 -3.476 -7.024 -5.212 518 1HG1 VAL 83 1HG1 VAL 83 -3.044 -9.049 -7.224 519 2HG1 VAL 83 2HG1 VAL 83 -1.614 -8.033 -7.083 520 3HG1 VAL 83 3HG1 VAL 83 -2.253 -8.855 -5.660 521 1HG2 VAL 83 1HG2 VAL 83 -3.527 -5.131 -6.994 522 2HG2 VAL 83 2HG2 VAL 83 -1.978 -5.545 -6.261 523 3HG2 VAL 83 3HG2 VAL 83 -2.377 -6.138 -7.873 524 H GLN 84 H GLN 84 -4.694 -9.409 -8.375 525 HA GLN 84 HA GLN 84 -5.749 -11.251 -6.274 526 1HB GLN 84 1HB GLN 84 -6.955 -10.550 -8.826 527 2HB GLN 84 2HB GLN 84 -6.612 -12.278 -8.735 528 1HG GLN 84 1HG GLN 84 -7.866 -12.503 -6.695 529 2HG GLN 84 2HG GLN 84 -8.026 -10.753 -6.535 530 1HE2 GLN 84 2HE2 GLN 84 -8.668 -13.163 -9.159 531 2HE2 GLN 84 1HE2 GLN 84 -10.203 -12.548 -9.540 532 H VAL 85 H VAL 85 -3.883 -12.394 -5.866 533 HA VAL 85 HA VAL 85 -2.265 -13.318 -8.187 534 HB VAL 85 HB VAL 85 -1.660 -13.267 -5.218 535 1HG1 VAL 85 1HG1 VAL 85 0.072 -14.037 -7.584 536 2HG1 VAL 85 2HG1 VAL 85 0.636 -13.876 -5.922 537 3HG1 VAL 85 3HG1 VAL 85 -0.524 -15.136 -6.341 538 1HG2 VAL 85 1HG2 VAL 85 -1.484 -11.306 -7.318 539 2HG2 VAL 85 2HG2 VAL 85 -1.048 -11.136 -5.619 540 3HG2 VAL 85 3HG2 VAL 85 0.143 -11.724 -6.778 541 H GLU 86 H GLU 86 -2.248 -15.455 -8.750 542 HA GLU 86 HA GLU 86 -3.825 -17.328 -7.049 543 1HB GLU 86 1HB GLU 86 -2.890 -17.693 -9.911 544 2HB GLU 86 2HB GLU 86 -4.064 -18.686 -9.046 545 1HG GLU 86 1HG GLU 86 -5.712 -17.300 -9.686 546 2HG GLU 86 2HG GLU 86 -4.911 -15.964 -8.858 547 H ALA 87 H ALA 87 -2.701 -19.735 -8.085 548 HA ALA 87 HA ALA 87 0.173 -19.575 -7.328 549 1HB ALA 87 1HB ALA 87 -1.812 -20.486 -5.571 550 2HB ALA 87 2HB ALA 87 -1.087 -21.954 -6.227 551 3HB ALA 87 3HB ALA 87 -0.075 -20.756 -5.421 Start of MODEL 3 1 H ALA 8 H ALA 8 -5.621 9.335 -8.791 2 HA ALA 8 HA ALA 8 -4.586 10.338 -11.416 3 1HB ALA 8 1HB ALA 8 -3.274 8.563 -9.336 4 2HB ALA 8 2HB ALA 8 -2.530 9.089 -10.846 5 3HB ALA 8 3HB ALA 8 -2.923 10.271 -9.598 6 H THR 9 H THR 9 -3.612 8.398 -12.717 7 HA THR 9 HA THR 9 -5.806 6.461 -13.046 8 HB THR 9 HB THR 9 -4.185 7.774 -14.839 9 HG1 THR 9 HG1 THR 9 -5.032 5.693 -16.098 10 1HG2 THR 9 1HG2 THR 9 -2.284 6.300 -14.253 11 2HG2 THR 9 2HG2 THR 9 -3.262 4.894 -14.679 12 3HG2 THR 9 3HG2 THR 9 -2.806 6.060 -15.922 13 H LEU 10 H LEU 10 -5.602 4.318 -12.639 14 HA LEU 10 HA LEU 10 -3.267 3.502 -11.009 15 1HB LEU 10 1HB LEU 10 -6.001 2.271 -11.488 16 2HB LEU 10 2HB LEU 10 -4.753 1.519 -10.498 17 HG LEU 10 HG LEU 10 -4.737 3.468 -9.007 18 1HD1 LEU 10 1HD1 LEU 10 -6.797 4.516 -10.959 19 2HD1 LEU 10 2HD1 LEU 10 -6.656 5.140 -9.315 20 3HD1 LEU 10 3HD1 LEU 10 -5.303 5.297 -10.436 21 1HD2 LEU 10 1HD2 LEU 10 -6.415 1.528 -8.795 22 2HD2 LEU 10 2HD2 LEU 10 -6.785 3.004 -7.905 23 3HD2 LEU 10 3HD2 LEU 10 -7.614 2.658 -9.421 24 H VAL 11 H VAL 11 -1.737 3.100 -12.753 25 HA VAL 11 HA VAL 11 -2.545 0.981 -14.682 26 HB VAL 11 HB VAL 11 -0.057 2.714 -14.587 27 1HG1 VAL 11 1HG1 VAL 11 -0.892 0.358 -16.178 28 2HG1 VAL 11 2HG1 VAL 11 -0.314 1.721 -17.136 29 3HG1 VAL 11 3HG1 VAL 11 0.723 1.011 -15.900 30 1HG2 VAL 11 1HG2 VAL 11 -2.763 3.106 -15.614 31 2HG2 VAL 11 2HG2 VAL 11 -1.438 4.264 -15.490 32 3HG2 VAL 11 3HG2 VAL 11 -1.561 3.212 -16.900 33 H GLY 12 H GLY 12 -2.183 -1.054 -13.913 34 1HA GLY 12 1HA GLY 12 0.361 -1.513 -12.403 35 2HA GLY 12 2HA GLY 12 -1.144 -2.328 -11.972 36 HA PRO 13 HA PRO 13 0.184 -4.122 -16.241 37 1HB PRO 13 1HB PRO 13 2.661 -3.353 -17.154 38 2HB PRO 13 2HB PRO 13 1.151 -2.524 -17.571 39 1HG PRO 13 1HG PRO 13 3.278 -1.702 -15.632 40 2HG PRO 13 2HG PRO 13 2.203 -0.690 -16.615 41 1HD PRO 13 1HD PRO 13 1.843 -1.205 -13.890 42 2HD PRO 13 2HD PRO 13 0.573 -0.653 -14.995 43 H HIS 14 H HIS 14 1.288 -6.051 -16.591 44 HA HIS 14 HA HIS 14 3.757 -6.922 -15.675 45 1HB HIS 14 1HB HIS 14 3.103 -6.510 -13.377 46 2HB HIS 14 2HB HIS 14 1.591 -7.387 -13.614 47 HD1 HIS 14 HD1 HIS 14 1.657 -9.805 -13.006 48 HD2 HIS 14 HD2 HIS 14 5.461 -8.338 -13.848 49 HE1 HIS 14 HE1 HIS 14 3.272 -11.699 -12.543 50 H GLY 15 H GLY 15 0.377 -7.804 -15.907 51 1HA GLY 15 1HA GLY 15 -0.327 -9.401 -17.662 52 2HA GLY 15 2HA GLY 15 1.179 -10.280 -17.372 53 HA PRO 16 HA PRO 16 -1.732 -12.514 -14.742 54 1HB PRO 16 1HB PRO 16 -0.347 -14.877 -14.885 55 2HB PRO 16 2HB PRO 16 -1.535 -14.368 -16.098 56 1HG PRO 16 1HG PRO 16 1.442 -14.405 -16.294 57 2HG PRO 16 2HG PRO 16 0.232 -14.511 -17.584 58 1HD PRO 16 1HD PRO 16 1.721 -12.201 -16.895 59 2HD PRO 16 2HD PRO 16 0.287 -12.244 -17.944 60 H LEU 17 H LEU 17 -1.464 -13.051 -12.524 61 HA LEU 17 HA LEU 17 1.298 -12.617 -11.461 62 1HB LEU 17 1HB LEU 17 -1.395 -11.909 -10.273 63 2HB LEU 17 2HB LEU 17 0.115 -11.848 -9.363 64 HG LEU 17 HG LEU 17 0.245 -10.496 -11.973 65 1HD1 LEU 17 1HD1 LEU 17 -1.539 -9.406 -9.775 66 2HD1 LEU 17 2HD1 LEU 17 -1.050 -8.529 -11.225 67 3HD1 LEU 17 3HD1 LEU 17 -2.081 -9.954 -11.362 68 1HD2 LEU 17 1HD2 LEU 17 1.783 -10.525 -9.779 69 2HD2 LEU 17 2HD2 LEU 17 1.698 -9.105 -10.824 70 3HD2 LEU 17 3HD2 LEU 17 0.744 -9.170 -9.341 71 H ALA 18 H ALA 18 1.961 -14.747 -11.246 72 HA ALA 18 HA ALA 18 0.157 -16.700 -9.965 73 1HB ALA 18 1HB ALA 18 2.450 -16.835 -11.690 74 2HB ALA 18 2HB ALA 18 2.800 -17.732 -10.213 75 3HB ALA 18 3HB ALA 18 1.386 -18.146 -11.181 76 H SER 19 H SER 19 1.078 -17.952 -8.054 77 HA SER 19 HA SER 19 1.719 -16.169 -5.925 78 1HB SER 19 1HB SER 19 0.763 -18.191 -5.223 79 2HB SER 19 2HB SER 19 1.815 -19.159 -6.252 80 HG SER 19 HG SER 19 2.977 -17.552 -4.277 81 H GLY 20 H GLY 20 3.602 -15.073 -5.737 82 1HA GLY 20 1HA GLY 20 5.985 -15.123 -5.208 83 2HA GLY 20 2HA GLY 20 6.140 -16.556 -6.223 84 H GLN 21 H GLN 21 4.449 -13.536 -7.035 85 HA GLN 21 HA GLN 21 6.569 -12.988 -9.069 86 1HB GLN 21 1HB GLN 21 3.844 -13.817 -9.569 87 2HB GLN 21 2HB GLN 21 4.120 -12.200 -10.219 88 1HG GLN 21 1HG GLN 21 5.040 -13.271 -11.992 89 2HG GLN 21 2HG GLN 21 6.431 -13.512 -10.936 90 1HE2 GLN 21 1HE2 GLN 21 5.310 -15.331 -13.088 91 2HE2 GLN 21 2HE2 GLN 21 5.018 -16.807 -12.301 92 H LEU 22 H LEU 22 6.678 -10.742 -9.731 93 HA LEU 22 HA LEU 22 5.327 -8.919 -7.794 94 1HB LEU 22 1HB LEU 22 7.363 -8.128 -7.261 95 2HB LEU 22 2HB LEU 22 8.101 -9.261 -8.385 96 HG LEU 22 HG LEU 22 7.660 -7.582 -10.232 97 1HD1 LEU 22 1HD1 LEU 22 5.935 -6.376 -8.613 98 2HD1 LEU 22 2HD1 LEU 22 7.375 -5.508 -8.095 99 3HD1 LEU 22 3HD1 LEU 22 6.867 -5.446 -9.788 100 1HD2 LEU 22 1HD2 LEU 22 9.587 -7.447 -8.060 101 2HD2 LEU 22 2HD2 LEU 22 9.837 -7.202 -9.790 102 3HD2 LEU 22 3HD2 LEU 22 9.302 -5.858 -8.775 103 H ALA 23 H ALA 23 3.995 -7.430 -8.656 104 HA ALA 23 HA ALA 23 3.834 -7.191 -11.610 105 1HB ALA 23 1HB ALA 23 1.972 -7.018 -9.437 106 2HB ALA 23 2HB ALA 23 1.992 -5.472 -10.288 107 3HB ALA 23 3HB ALA 23 1.633 -6.963 -11.169 108 H ALA 24 H ALA 24 4.111 -5.080 -12.651 109 HA ALA 24 HA ALA 24 5.525 -3.164 -10.845 110 1HB ALA 24 1HB ALA 24 5.656 -3.579 -13.833 111 2HB ALA 24 2HB ALA 24 6.385 -2.194 -13.015 112 3HB ALA 24 3HB ALA 24 6.934 -3.830 -12.642 113 H PHE 25 H PHE 25 4.386 -1.424 -10.270 114 HA PHE 25 HA PHE 25 1.924 -0.769 -11.807 115 1HB PHE 25 1HB PHE 25 2.826 -0.093 -9.001 116 2HB PHE 25 2HB PHE 25 1.333 0.493 -9.724 117 HD1 PHE 25 HD1 PHE 25 3.123 -2.846 -9.410 118 HD2 PHE 25 HD2 PHE 25 -0.562 -0.630 -9.111 119 HE1 PHE 25 HE1 PHE 25 1.932 -4.885 -8.675 120 HE2 PHE 25 HE2 PHE 25 -1.733 -2.683 -8.387 121 HZ PHE 25 HZ PHE 25 -0.489 -4.813 -8.170 122 H HIS 26 H HIS 26 1.304 1.587 -11.723 123 HA HIS 26 HA HIS 26 3.295 3.623 -11.400 124 1HB HIS 26 1HB HIS 26 4.083 3.993 -13.491 125 2HB HIS 26 2HB HIS 26 3.616 2.325 -13.792 126 HD1 HIS 26 HD1 HIS 26 2.475 2.202 -15.984 127 HD2 HIS 26 HD2 HIS 26 1.470 5.684 -13.954 128 HE1 HIS 26 HE1 HIS 26 0.865 3.462 -17.479 129 H ILE 27 H ILE 27 2.279 5.612 -11.240 130 HA ILE 27 HA ILE 27 -0.690 5.572 -11.597 131 HB ILE 27 HB ILE 27 0.770 7.597 -9.918 132 1HG1 ILE 27 1HG1 ILE 27 1.717 5.400 -9.303 133 2HG1 ILE 27 2HG1 ILE 27 0.676 6.023 -8.020 134 1HG2 ILE 27 1HG2 ILE 27 -1.964 6.457 -10.170 135 2HG2 ILE 27 2HG2 ILE 27 -1.407 6.781 -8.520 136 3HG2 ILE 27 3HG2 ILE 27 -1.456 8.086 -9.713 137 1HD1 ILE 27 1HD1 ILE 27 -1.168 4.696 -9.470 138 2HD1 ILE 27 2HD1 ILE 27 0.249 3.721 -9.846 139 3HD1 ILE 27 3HD1 ILE 27 -0.251 3.936 -8.170 140 H ALA 28 H ALA 28 -1.705 7.398 -12.626 141 HA ALA 28 HA ALA 28 0.237 9.286 -13.941 142 1HB ALA 28 1HB ALA 28 -0.833 7.294 -15.340 143 2HB ALA 28 2HB ALA 28 -2.197 8.411 -15.427 144 3HB ALA 28 3HB ALA 28 -0.618 8.897 -16.047 145 H ALA 29 H ALA 29 -0.306 11.373 -13.521 146 HA ALA 29 HA ALA 29 -2.811 12.540 -14.016 147 1HB ALA 29 1HB ALA 29 -2.688 11.221 -11.415 148 2HB ALA 29 2HB ALA 29 -3.065 12.938 -11.278 149 3HB ALA 29 3HB ALA 29 -4.078 11.890 -12.268 150 HA PRO 30 HA PRO 30 -0.217 15.666 -11.558 151 1HB PRO 30 1HB PRO 30 1.737 14.705 -9.879 152 2HB PRO 30 2HB PRO 30 0.060 14.970 -9.374 153 1HG PRO 30 1HG PRO 30 1.476 12.410 -9.924 154 2HG PRO 30 2HG PRO 30 0.077 12.718 -8.883 155 1HD PRO 30 1HD PRO 30 0.009 11.589 -11.481 156 2HD PRO 30 2HD PRO 30 -1.383 12.174 -10.548 157 H LEU 31 H LEU 31 0.445 15.227 -13.972 158 HA LEU 31 HA LEU 31 2.406 14.166 -15.276 159 1HB LEU 31 1HB LEU 31 1.625 16.979 -15.142 160 2HB LEU 31 2HB LEU 31 3.254 16.734 -15.778 161 HG LEU 31 HG LEU 31 2.082 14.809 -17.161 162 1HD1 LEU 31 1HD1 LEU 31 -0.145 16.397 -16.028 163 2HD1 LEU 31 2HD1 LEU 31 -0.252 16.086 -17.761 164 3HD1 LEU 31 3HD1 LEU 31 -0.134 14.738 -16.628 165 1HD2 LEU 31 1HD2 LEU 31 2.800 17.503 -17.643 166 2HD2 LEU 31 2HD2 LEU 31 2.602 16.222 -18.838 167 3HD2 LEU 31 3HD2 LEU 31 1.239 17.263 -18.429 168 HA PRO 32 HA PRO 32 6.296 16.013 -13.347 169 1HB PRO 32 1HB PRO 32 6.077 17.936 -11.396 170 2HB PRO 32 2HB PRO 32 6.141 18.298 -13.129 171 1HG PRO 32 1HG PRO 32 3.802 18.373 -11.281 172 2HG PRO 32 2HG PRO 32 4.078 19.279 -12.778 173 1HD PRO 32 1HD PRO 32 2.425 16.996 -12.500 174 2HD PRO 32 2HD PRO 32 2.965 17.721 -14.028 175 H VAL 33 H VAL 33 5.698 13.735 -12.371 176 HA VAL 33 HA VAL 33 5.332 13.856 -9.420 177 HB VAL 33 HB VAL 33 5.631 11.308 -11.004 178 1HG1 VAL 33 1HG1 VAL 33 5.641 11.285 -8.507 179 2HG1 VAL 33 2HG1 VAL 33 4.043 12.033 -8.522 180 3HG1 VAL 33 3HG1 VAL 33 4.267 10.413 -9.186 181 1HG2 VAL 33 1HG2 VAL 33 3.104 12.933 -10.609 182 2HG2 VAL 33 2HG2 VAL 33 3.899 12.617 -12.152 183 3HG2 VAL 33 3HG2 VAL 33 3.163 11.292 -11.250 184 H THR 34 H THR 34 6.961 13.367 -8.020 185 HA THR 34 HA THR 34 9.575 12.554 -9.215 186 HB THR 34 HB THR 34 9.825 14.774 -8.350 187 HG1 THR 34 HG1 THR 34 11.473 13.368 -7.706 188 1HG2 THR 34 1HG2 THR 34 8.245 13.703 -6.015 189 2HG2 THR 34 2HG2 THR 34 9.211 15.173 -5.878 190 3HG2 THR 34 3HG2 THR 34 7.884 15.094 -7.037 191 H ALA 35 H ALA 35 7.089 11.712 -7.037 192 HA ALA 35 HA ALA 35 8.199 9.160 -6.464 193 1HB ALA 35 1HB ALA 35 8.823 11.389 -4.624 194 2HB ALA 35 2HB ALA 35 8.271 9.899 -3.857 195 3HB ALA 35 3HB ALA 35 9.698 9.881 -4.896 196 H THR 36 H THR 36 6.678 7.858 -5.326 197 HA THR 36 HA THR 36 4.209 9.227 -4.361 198 HB THR 36 HB THR 36 3.057 8.467 -6.148 199 HG1 THR 36 HG1 THR 36 2.201 6.858 -5.103 200 1HG2 THR 36 1HG2 THR 36 5.554 6.892 -6.701 201 2HG2 THR 36 2HG2 THR 36 4.083 6.587 -7.627 202 3HG2 THR 36 3HG2 THR 36 4.819 8.189 -7.650 203 H ARG 37 H ARG 37 3.354 8.218 -2.524 204 HA ARG 37 HA ARG 37 4.995 6.028 -1.407 205 1HB ARG 37 1HB ARG 37 3.134 8.068 -0.292 206 2HB ARG 37 2HB ARG 37 3.267 6.535 0.571 207 1HG ARG 37 1HG ARG 37 5.503 6.858 1.090 208 2HG ARG 37 2HG ARG 37 5.783 7.900 -0.305 209 1HD ARG 37 1HD ARG 37 4.201 8.642 2.174 210 2HD ARG 37 2HD ARG 37 5.814 9.227 1.762 211 HE ARG 37 HE ARG 37 3.290 10.073 0.492 212 1HH1 ARG 37 1HH1 ARG 37 5.227 9.593 -1.706 213 2HH1 ARG 37 2HH1 ARG 37 6.069 11.103 -1.807 214 1HH2 ARG 37 1HH2 ARG 37 5.018 12.199 1.311 215 2HH2 ARG 37 2HH2 ARG 37 5.946 12.581 -0.101 216 H TRP 38 H TRP 38 4.320 4.029 -2.061 217 HA TRP 38 HA TRP 38 1.424 3.560 -2.528 218 1HB TRP 38 1HB TRP 38 3.755 1.676 -2.909 219 2HB TRP 38 2HB TRP 38 2.101 1.402 -3.428 220 HD1 TRP 38 HD1 TRP 38 4.666 4.262 -3.933 221 HE1 TRP 38 HE1 TRP 38 4.610 4.920 -6.423 222 HE3 TRP 38 HE3 TRP 38 1.106 1.031 -5.605 223 HZ2 TRP 38 HZ2 TRP 38 3.251 4.153 -8.819 224 HZ3 TRP 38 HZ3 TRP 38 0.443 1.012 -7.988 225 HH2 TRP 38 HH2 TRP 38 1.515 2.561 -9.596 226 H ASP 39 H ASP 39 0.826 1.201 -1.810 227 HA ASP 39 HA ASP 39 1.975 0.430 0.773 228 1HB ASP 39 1HB ASP 39 -0.478 1.970 0.605 229 2HB ASP 39 2HB ASP 39 -0.816 0.360 1.243 230 H PHE 40 H PHE 40 2.401 -1.661 0.149 231 HA PHE 40 HA PHE 40 0.597 -2.956 -1.762 232 1HB PHE 40 1HB PHE 40 2.852 -4.314 -0.284 233 2HB PHE 40 2HB PHE 40 2.093 -4.796 -1.797 234 HD1 PHE 40 HD1 PHE 40 2.031 -1.557 -2.491 235 HD2 PHE 40 HD2 PHE 40 5.001 -4.560 -1.638 236 HE1 PHE 40 HE1 PHE 40 3.712 -0.280 -3.788 237 HE2 PHE 40 HE2 PHE 40 6.671 -3.270 -2.934 238 HZ PHE 40 HZ PHE 40 6.027 -1.135 -4.013 239 H GLY 41 H GLY 41 1.730 -4.147 1.424 240 1HA GLY 41 1HA GLY 41 0.185 -4.898 3.163 241 2HA GLY 41 2HA GLY 41 -1.069 -5.060 1.929 242 H ASP 42 H ASP 42 1.552 -6.236 0.420 243 HA ASP 42 HA ASP 42 0.831 -9.048 0.977 244 1HB ASP 42 1HB ASP 42 2.435 -9.458 -0.949 245 2HB ASP 42 2HB ASP 42 1.062 -8.431 -1.360 246 H GLY 43 H GLY 43 2.443 -7.244 2.834 247 1HA GLY 43 1HA GLY 43 4.046 -8.437 4.396 248 2HA GLY 43 2HA GLY 43 4.959 -8.837 2.930 249 H SER 44 H SER 44 4.485 -6.407 1.533 250 HA SER 44 HA SER 44 6.262 -4.582 3.078 251 1HB SER 44 1HB SER 44 5.679 -3.702 0.386 252 2HB SER 44 2HB SER 44 7.232 -4.149 1.085 253 HG SER 44 HG SER 44 6.811 -6.282 0.577 254 H ALA 45 H ALA 45 4.882 -3.391 4.375 255 HA ALA 45 HA ALA 45 2.248 -2.576 3.527 256 1HB ALA 45 1HB ALA 45 4.023 -1.810 5.840 257 2HB ALA 45 2HB ALA 45 2.451 -1.051 5.587 258 3HB ALA 45 3HB ALA 45 2.556 -2.789 5.866 259 H GLU 46 H GLU 46 4.174 -0.042 4.839 260 HA GLU 46 HA GLU 46 3.393 1.905 2.954 261 1HB GLU 46 1HB GLU 46 5.770 1.774 4.821 262 2HB GLU 46 2HB GLU 46 5.376 3.205 3.868 263 1HG GLU 46 1HG GLU 46 2.998 2.244 5.180 264 2HG GLU 46 2HG GLU 46 4.282 2.450 6.371 265 H VAL 47 H VAL 47 4.510 2.857 1.189 266 HA VAL 47 HA VAL 47 6.859 1.339 0.148 267 HB VAL 47 HB VAL 47 4.363 2.077 -1.411 268 1HG1 VAL 47 1HG1 VAL 47 6.433 2.255 -2.739 269 2HG1 VAL 47 2HG1 VAL 47 6.883 0.618 -2.255 270 3HG1 VAL 47 3HG1 VAL 47 5.455 0.883 -3.256 271 1HG2 VAL 47 1HG2 VAL 47 4.682 -0.055 0.266 272 2HG2 VAL 47 2HG2 VAL 47 3.667 -0.077 -1.173 273 3HG2 VAL 47 3HG2 VAL 47 5.307 -0.720 -1.240 274 H ASP 48 H ASP 48 8.403 2.670 -0.687 275 HA ASP 48 HA ASP 48 7.654 5.526 -1.187 276 1HB ASP 48 1HB ASP 48 10.340 4.338 -0.407 277 2HB ASP 48 2HB ASP 48 10.037 6.047 -0.727 278 H ALA 49 H ALA 49 7.089 5.127 -3.388 279 HA ALA 49 HA ALA 49 9.106 3.859 -5.138 280 1HB ALA 49 1HB ALA 49 6.395 3.778 -5.142 281 2HB ALA 49 2HB ALA 49 6.678 5.050 -6.330 282 3HB ALA 49 3HB ALA 49 7.386 3.449 -6.561 283 H ALA 50 H ALA 50 9.976 4.886 -6.990 284 HA ALA 50 HA ALA 50 10.419 7.781 -6.654 285 1HB ALA 50 1HB ALA 50 11.565 5.753 -8.599 286 2HB ALA 50 2HB ALA 50 12.031 7.454 -8.547 287 3HB ALA 50 3HB ALA 50 12.364 6.405 -7.168 288 H GLY 51 H GLY 51 9.908 9.324 -8.313 289 1HA GLY 51 1HA GLY 51 8.354 10.265 -9.813 290 2HA GLY 51 2HA GLY 51 8.803 8.893 -10.833 291 HA PRO 52 HA PRO 52 4.458 8.103 -9.712 292 1HB PRO 52 1HB PRO 52 3.561 7.870 -12.291 293 2HB PRO 52 2HB PRO 52 3.654 9.419 -11.438 294 1HG PRO 52 1HG PRO 52 5.352 8.403 -13.644 295 2HG PRO 52 2HG PRO 52 5.094 10.071 -13.109 296 1HD PRO 52 1HD PRO 52 7.355 8.382 -12.519 297 2HD PRO 52 2HD PRO 52 7.053 10.028 -11.921 298 H ALA 53 H ALA 53 6.661 6.081 -9.763 299 HA ALA 53 HA ALA 53 5.045 3.858 -10.910 300 1HB ALA 53 1HB ALA 53 7.428 4.893 -12.139 301 2HB ALA 53 2HB ALA 53 7.715 3.240 -11.596 302 3HB ALA 53 3HB ALA 53 6.375 3.589 -12.687 303 H ALA 54 H ALA 54 5.316 1.888 -9.914 304 HA ALA 54 HA ALA 54 7.482 1.476 -7.945 305 1HB ALA 54 1HB ALA 54 5.570 2.592 -6.707 306 2HB ALA 54 2HB ALA 54 4.574 1.199 -7.124 307 3HB ALA 54 3HB ALA 54 5.992 0.991 -6.095 308 H SER 55 H SER 55 6.600 -0.853 -6.805 309 HA SER 55 HA SER 55 5.491 -2.614 -8.893 310 1HB SER 55 1HB SER 55 7.888 -3.865 -7.943 311 2HB SER 55 2HB SER 55 7.396 -3.512 -9.598 312 HG SER 55 HG SER 55 8.986 -2.131 -9.500 313 H HIS 56 H HIS 56 4.467 -4.383 -7.975 314 HA HIS 56 HA HIS 56 4.542 -4.497 -4.986 315 1HB HIS 56 1HB HIS 56 2.529 -5.156 -7.077 316 2HB HIS 56 2HB HIS 56 2.490 -6.081 -5.580 317 HD1 HIS 56 HD1 HIS 56 2.716 -2.404 -6.588 318 HD2 HIS 56 HD2 HIS 56 1.058 -4.816 -3.628 319 HE1 HIS 56 HE1 HIS 56 1.357 -0.881 -5.087 320 H ARG 57 H ARG 57 5.241 -6.304 -3.934 321 HA ARG 57 HA ARG 57 6.137 -8.590 -5.622 322 1HB ARG 57 1HB ARG 57 7.362 -9.297 -3.508 323 2HB ARG 57 2HB ARG 57 7.933 -7.803 -4.245 324 1HG ARG 57 1HG ARG 57 5.933 -6.950 -2.490 325 2HG ARG 57 2HG ARG 57 6.756 -8.235 -1.609 326 1HD ARG 57 1HD ARG 57 7.925 -6.182 -1.133 327 2HD ARG 57 2HD ARG 57 8.944 -7.131 -2.211 328 HE ARG 57 HE ARG 57 7.162 -5.117 -3.451 329 1HH1 ARG 57 1HH2 ARG 57 9.375 -3.766 -1.961 330 2HH1 ARG 57 2HH2 ARG 57 10.625 -3.687 -3.157 331 1HH2 ARG 57 1HH1 ARG 57 9.164 -6.060 -5.223 332 2HH2 ARG 57 2HH1 ARG 57 10.507 -4.987 -5.006 333 H TYR 58 H TYR 58 4.201 -9.727 -5.883 334 HA TYR 58 HA TYR 58 2.633 -10.391 -3.448 335 1HB TYR 58 1HB TYR 58 2.127 -10.784 -6.410 336 2HB TYR 58 2HB TYR 58 1.039 -11.385 -5.160 337 HD1 TYR 58 HD1 TYR 58 1.052 -9.376 -3.133 338 HD2 TYR 58 HD2 TYR 58 1.101 -8.921 -7.399 339 HE1 TYR 58 HE1 TYR 58 -0.022 -7.159 -2.905 340 HE2 TYR 58 HE2 TYR 58 0.026 -6.700 -7.172 341 HH TYR 58 HH TYR 58 -0.842 -5.427 -3.953 342 H VAL 59 H VAL 59 3.113 -12.247 -2.390 343 HA VAL 59 HA VAL 59 4.370 -14.450 -3.972 344 HB VAL 59 HB VAL 59 5.958 -13.544 -2.398 345 1HG1 VAL 59 1HG1 VAL 59 3.713 -13.897 -0.396 346 2HG1 VAL 59 2HG1 VAL 59 5.393 -13.642 0.079 347 3HG1 VAL 59 3HG1 VAL 59 4.537 -12.402 -0.838 348 1HG2 VAL 59 1HG2 VAL 59 5.538 -16.118 -2.640 349 2HG2 VAL 59 2HG2 VAL 59 6.588 -15.541 -1.347 350 3HG2 VAL 59 3HG2 VAL 59 4.921 -15.994 -0.992 351 H LEU 60 H LEU 60 1.883 -13.672 -1.568 352 HA LEU 60 HA LEU 60 1.250 -16.545 -1.262 353 1HB LEU 60 1HB LEU 60 0.979 -14.343 0.410 354 2HB LEU 60 2HB LEU 60 -0.672 -14.648 -0.131 355 HG LEU 60 HG LEU 60 0.664 -17.141 0.491 356 1HD1 LEU 60 1HD1 LEU 60 1.566 -15.067 2.104 357 2HD1 LEU 60 2HD1 LEU 60 0.235 -15.755 3.034 358 3HD1 LEU 60 3HD1 LEU 60 1.578 -16.779 2.529 359 1HD2 LEU 60 1HD2 LEU 60 -1.868 -16.221 0.432 360 2HD2 LEU 60 2HD2 LEU 60 -1.399 -17.619 1.399 361 3HD2 LEU 60 3HD2 LEU 60 -1.547 -16.033 2.155 362 HA PRO 61 HA PRO 61 -1.761 -16.433 -4.463 363 1HB PRO 61 1HB PRO 61 -3.092 -18.737 -3.762 364 2HB PRO 61 2HB PRO 61 -1.522 -18.720 -4.583 365 1HG PRO 61 1HG PRO 61 -2.141 -19.333 -1.731 366 2HG PRO 61 2HG PRO 61 -0.791 -19.893 -2.731 367 1HD PRO 61 1HD PRO 61 -0.664 -17.844 -0.792 368 2HD PRO 61 2HD PRO 61 0.558 -18.171 -2.039 369 H GLY 62 H GLY 62 -3.710 -15.398 -4.618 370 1HA GLY 62 1HA GLY 62 -6.107 -15.632 -3.491 371 2HA GLY 62 2HA GLY 62 -5.243 -14.925 -2.124 372 H ARG 63 H ARG 63 -5.993 -12.830 -2.056 373 HA ARG 63 HA ARG 63 -5.666 -11.234 -4.560 374 1HB ARG 63 1HB ARG 63 -7.645 -9.954 -4.012 375 2HB ARG 63 2HB ARG 63 -8.076 -11.665 -3.986 376 1HG ARG 63 1HG ARG 63 -8.940 -11.200 -1.937 377 2HG ARG 63 2HG ARG 63 -7.262 -11.266 -1.396 378 1HD ARG 63 1HD ARG 63 -7.019 -8.889 -1.568 379 2HD ARG 63 2HD ARG 63 -8.548 -8.731 -2.433 380 HE ARG 63 HE ARG 63 -8.476 -9.675 0.399 381 1HH1 ARG 63 1HH2 ARG 63 -8.666 -6.749 -1.041 382 2HH1 ARG 63 2HH2 ARG 63 -10.289 -6.375 -0.566 383 1HH2 ARG 63 1HH1 ARG 63 -10.983 -9.582 0.558 384 2HH2 ARG 63 2HH1 ARG 63 -11.601 -7.979 0.339 385 H TYR 64 H TYR 64 -5.365 -8.871 -4.084 386 HA TYR 64 HA TYR 64 -4.244 -8.305 -1.385 387 1HB TYR 64 1HB TYR 64 -2.787 -8.048 -4.022 388 2HB TYR 64 2HB TYR 64 -2.312 -7.128 -2.600 389 HD1 TYR 64 HD1 TYR 64 -1.651 -8.372 -0.486 390 HD2 TYR 64 HD2 TYR 64 -2.194 -10.329 -4.276 391 HE1 TYR 64 HE1 TYR 64 -0.331 -10.313 0.321 392 HE2 TYR 64 HE2 TYR 64 -0.867 -12.262 -3.469 393 HH TYR 64 HH TYR 64 0.746 -12.190 -0.316 394 H HIS 65 H HIS 65 -4.197 -6.017 -0.925 395 HA HIS 65 HA HIS 65 -5.833 -4.387 -2.829 396 1HB HIS 65 1HB HIS 65 -6.930 -4.757 -0.641 397 2HB HIS 65 2HB HIS 65 -5.529 -4.056 0.171 398 HD1 HIS 65 HD1 HIS 65 -8.085 -3.075 -2.482 399 HD2 HIS 65 HD2 HIS 65 -5.677 -1.297 0.418 400 HE1 HIS 65 HE1 HIS 65 -8.672 -0.612 -2.477 401 H VAL 66 H VAL 66 -4.829 -2.607 -3.671 402 HA VAL 66 HA VAL 66 -2.212 -1.824 -2.459 403 HB VAL 66 HB VAL 66 -3.149 -1.603 -5.332 404 1HG1 VAL 66 1HG1 VAL 66 -0.504 -0.942 -3.982 405 2HG1 VAL 66 2HG1 VAL 66 -0.752 -0.996 -5.732 406 3HG1 VAL 66 3HG1 VAL 66 -1.607 0.201 -4.759 407 1HG2 VAL 66 1HG2 VAL 66 -1.471 -3.561 -3.811 408 2HG2 VAL 66 2HG2 VAL 66 -2.700 -3.860 -5.040 409 3HG2 VAL 66 3HG2 VAL 66 -1.115 -3.247 -5.510 410 H THR 67 H THR 67 -1.705 0.395 -2.354 411 HA THR 67 HA THR 67 -3.765 2.373 -3.117 412 HB THR 67 HB THR 67 -4.269 3.111 -1.001 413 HG1 THR 67 HG1 THR 67 -2.756 3.487 0.438 414 1HG2 THR 67 1HG2 THR 67 -4.830 0.703 -0.980 415 2HG2 THR 67 2HG2 THR 67 -3.231 0.343 -0.327 416 3HG2 THR 67 3HG2 THR 67 -4.384 1.277 0.627 417 H ALA 68 H ALA 68 -2.808 4.581 -3.188 418 HA ALA 68 HA ALA 68 0.114 4.708 -2.718 419 1HB ALA 68 1HB ALA 68 -0.717 3.978 -5.218 420 2HB ALA 68 2HB ALA 68 -0.614 5.733 -5.390 421 3HB ALA 68 3HB ALA 68 0.801 4.807 -4.879 422 H VAL 69 H VAL 69 0.985 6.855 -2.885 423 HA VAL 69 HA VAL 69 -1.032 9.055 -2.841 424 HB VAL 69 HB VAL 69 1.381 9.340 -1.124 425 1HG1 VAL 69 1HG1 VAL 69 -1.353 10.376 -1.370 426 2HG1 VAL 69 2HG1 VAL 69 -0.892 10.029 0.296 427 3HG1 VAL 69 3HG1 VAL 69 0.079 11.136 -0.675 428 1HG2 VAL 69 1HG2 VAL 69 -0.783 7.313 -0.637 429 2HG2 VAL 69 2HG2 VAL 69 0.946 7.201 -0.304 430 3HG2 VAL 69 3HG2 VAL 69 -0.090 8.181 0.733 431 H LEU 70 H LEU 70 -0.427 10.624 -4.308 432 HA LEU 70 HA LEU 70 2.217 10.324 -5.597 433 1HB LEU 70 1HB LEU 70 -0.077 12.222 -6.167 434 2HB LEU 70 2HB LEU 70 1.414 12.154 -7.091 435 HG LEU 70 HG LEU 70 -0.705 10.867 -7.941 436 1HD1 LEU 70 1HD1 LEU 70 1.905 10.762 -8.510 437 2HD1 LEU 70 2HD1 LEU 70 1.669 9.105 -7.952 438 3HD1 LEU 70 3HD1 LEU 70 0.706 9.729 -9.292 439 1HD2 LEU 70 1HD2 LEU 70 -1.044 9.661 -5.774 440 2HD2 LEU 70 2HD2 LEU 70 -0.882 8.583 -7.160 441 3HD2 LEU 70 3HD2 LEU 70 0.476 8.811 -6.058 442 H ALA 71 H ALA 71 3.886 11.877 -5.426 443 HA ALA 71 HA ALA 71 3.238 14.230 -3.713 444 1HB ALA 71 1HB ALA 71 5.706 12.506 -3.497 445 2HB ALA 71 2HB ALA 71 5.487 14.071 -2.707 446 3HB ALA 71 3HB ALA 71 4.445 12.712 -2.279 447 H LEU 72 H LEU 72 3.419 15.870 -4.999 448 HA LEU 72 HA LEU 72 5.594 15.972 -7.041 449 1HB LEU 72 1HB LEU 72 3.015 17.512 -6.701 450 2HB LEU 72 2HB LEU 72 4.225 17.910 -7.920 451 HG LEU 72 HG LEU 72 3.985 15.345 -8.542 452 1HD1 LEU 72 1HD1 LEU 72 2.269 15.294 -6.485 453 2HD1 LEU 72 2HD1 LEU 72 1.144 15.807 -7.740 454 3HD1 LEU 72 3HD1 LEU 72 2.029 14.291 -7.913 455 1HD2 LEU 72 1HD2 LEU 72 2.923 17.783 -9.492 456 2HD2 LEU 72 2HD2 LEU 72 3.088 16.275 -10.393 457 3HD2 LEU 72 3HD2 LEU 72 1.588 16.631 -9.535 458 H GLY 73 H GLY 73 4.667 17.106 -4.002 459 1HA GLY 73 1HA GLY 73 6.303 18.429 -2.698 460 2HA GLY 73 2HA GLY 73 6.624 19.358 -4.169 461 H ALA 74 H ALA 74 4.153 19.886 -5.141 462 HA ALA 74 HA ALA 74 2.821 21.399 -2.933 463 1HB ALA 74 1HB ALA 74 3.241 22.104 -5.842 464 2HB ALA 74 2HB ALA 74 2.094 22.958 -4.811 465 3HB ALA 74 3HB ALA 74 3.815 22.986 -4.427 466 H GLY 75 H GLY 75 2.444 18.848 -5.087 467 1HA GLY 75 1HA GLY 75 -0.508 18.963 -4.743 468 2HA GLY 75 2HA GLY 75 0.147 18.680 -6.357 469 H SER 76 H SER 76 -1.503 16.782 -5.081 470 HA SER 76 HA SER 76 0.351 14.470 -4.994 471 1HB SER 76 1HB SER 76 -0.140 13.802 -2.822 472 2HB SER 76 2HB SER 76 -0.176 15.549 -2.617 473 HG SER 76 HG SER 76 -2.043 14.169 -1.858 474 H ALA 77 H ALA 77 -1.192 12.431 -4.536 475 HA ALA 77 HA ALA 77 -3.879 12.740 -5.688 476 1HB ALA 77 1HB ALA 77 -1.747 12.241 -7.425 477 2HB ALA 77 2HB ALA 77 -2.448 10.648 -7.138 478 3HB ALA 77 3HB ALA 77 -3.454 11.954 -7.765 479 H LEU 78 H LEU 78 -4.997 10.529 -5.690 480 HA LEU 78 HA LEU 78 -3.829 8.833 -3.518 481 1HB LEU 78 1HB LEU 78 -6.770 9.275 -4.095 482 2HB LEU 78 2HB LEU 78 -6.079 8.400 -2.728 483 HG LEU 78 HG LEU 78 -5.128 11.190 -3.094 484 1HD1 LEU 78 1HD1 LEU 78 -7.935 10.527 -2.157 485 2HD1 LEU 78 2HD1 LEU 78 -7.157 12.099 -1.980 486 3HD1 LEU 78 3HD1 LEU 78 -7.511 11.467 -3.588 487 1HD2 LEU 78 1HD2 LEU 78 -5.933 9.375 -0.814 488 2HD2 LEU 78 2HD2 LEU 78 -4.330 10.007 -1.187 489 3HD2 LEU 78 3HD2 LEU 78 -5.580 11.085 -0.563 490 H LEU 79 H LEU 79 -3.607 6.697 -3.955 491 HA LEU 79 HA LEU 79 -4.861 5.674 -6.459 492 1HB LEU 79 1HB LEU 79 -2.156 5.809 -5.722 493 2HB LEU 79 2HB LEU 79 -2.604 4.124 -5.492 494 HG LEU 79 HG LEU 79 -1.844 5.234 -7.877 495 1HD1 LEU 79 1HD1 LEU 79 -3.581 2.844 -7.240 496 2HD1 LEU 79 2HD1 LEU 79 -2.940 3.145 -8.855 497 3HD1 LEU 79 3HD1 LEU 79 -1.836 2.873 -7.507 498 1HD2 LEU 79 1HD2 LEU 79 -4.028 6.512 -7.876 499 2HD2 LEU 79 2HD2 LEU 79 -3.788 5.471 -9.282 500 3HD2 LEU 79 3HD2 LEU 79 -4.856 4.956 -7.974 501 H GLY 80 H GLY 80 -5.464 3.425 -6.432 502 1HA GLY 80 1HA GLY 80 -5.440 1.879 -4.005 503 2HA GLY 80 2HA GLY 80 -7.017 2.617 -4.266 504 H THR 81 H THR 81 -4.793 0.170 -5.385 505 HA THR 81 HA THR 81 -6.849 -0.704 -7.385 506 HB THR 81 HB THR 81 -5.203 -1.306 -8.854 507 HG1 THR 81 HG1 THR 81 -3.889 -2.755 -8.151 508 1HG2 THR 81 1HG2 THR 81 -4.728 1.079 -8.146 509 2HG2 THR 81 2HG2 THR 81 -3.455 0.436 -7.107 510 3HG2 THR 81 3HG2 THR 81 -3.359 0.222 -8.856 511 H ASP 82 H ASP 82 -6.209 -3.261 -7.809 512 HA ASP 82 HA ASP 82 -5.787 -4.678 -5.257 513 1HB ASP 82 1HB ASP 82 -7.900 -5.647 -5.101 514 2HB ASP 82 2HB ASP 82 -8.320 -4.040 -5.693 515 H VAL 83 H VAL 83 -5.295 -6.986 -5.672 516 HA VAL 83 HA VAL 83 -5.044 -7.665 -8.558 517 HB VAL 83 HB VAL 83 -2.798 -7.453 -8.480 518 1HG1 VAL 83 1HG1 VAL 83 -3.480 -6.274 -6.016 519 2HG1 VAL 83 2HG1 VAL 83 -2.208 -7.441 -5.635 520 3HG1 VAL 83 3HG1 VAL 83 -1.926 -6.176 -6.835 521 1HG2 VAL 83 1HG2 VAL 83 -2.960 -9.875 -7.987 522 2HG2 VAL 83 2HG2 VAL 83 -1.535 -9.154 -7.238 523 3HG2 VAL 83 3HG2 VAL 83 -2.963 -9.505 -6.261 524 H GLN 84 H GLN 84 -4.938 -9.962 -8.962 525 HA GLN 84 HA GLN 84 -5.788 -11.629 -6.629 526 1HB GLN 84 1HB GLN 84 -7.565 -11.085 -8.442 527 2HB GLN 84 2HB GLN 84 -6.645 -12.191 -9.465 528 1HG GLN 84 1HG GLN 84 -7.217 -14.039 -8.226 529 2HG GLN 84 2HG GLN 84 -7.279 -13.133 -6.714 530 1HE2 GLN 84 2HE2 GLN 84 -9.415 -14.678 -6.857 531 2HE2 GLN 84 1HE2 GLN 84 -10.799 -13.870 -7.414 532 H VAL 85 H VAL 85 -3.820 -12.633 -6.221 533 HA VAL 85 HA VAL 85 -2.212 -13.666 -8.453 534 HB VAL 85 HB VAL 85 -1.871 -13.658 -5.451 535 1HG1 VAL 85 1HG1 VAL 85 -0.530 -15.290 -7.534 536 2HG1 VAL 85 2HG1 VAL 85 0.541 -14.464 -6.402 537 3HG1 VAL 85 3HG1 VAL 85 -0.684 -15.580 -5.801 538 1HG2 VAL 85 1HG2 VAL 85 -0.943 -12.080 -7.774 539 2HG2 VAL 85 2HG2 VAL 85 -1.118 -11.600 -6.085 540 3HG2 VAL 85 3HG2 VAL 85 0.315 -12.487 -6.606 541 H GLU 86 H GLU 86 -2.089 -15.797 -9.062 542 HA GLU 86 HA GLU 86 -3.909 -17.696 -7.632 543 1HB GLU 86 1HB GLU 86 -2.935 -18.070 -10.457 544 2HB GLU 86 2HB GLU 86 -4.385 -18.723 -9.693 545 1HG GLU 86 1HG GLU 86 -4.066 -15.744 -9.987 546 2HG GLU 86 2HG GLU 86 -4.617 -16.709 -11.355 547 H ALA 87 H ALA 87 -3.143 -19.909 -7.414 548 HA ALA 87 HA ALA 87 -0.173 -20.046 -7.278 549 1HB ALA 87 1HB ALA 87 -2.186 -20.858 -5.513 550 2HB ALA 87 2HB ALA 87 -1.592 -22.358 -6.225 551 3HB ALA 87 3HB ALA 87 -0.474 -21.268 -5.406 Start of MODEL 4 1 H ALA 8 H ALA 8 -4.079 9.696 -8.373 2 HA ALA 8 HA ALA 8 -3.992 10.184 -11.259 3 1HB ALA 8 1HB ALA 8 -2.195 8.690 -9.330 4 2HB ALA 8 2HB ALA 8 -1.897 8.726 -11.069 5 3HB ALA 8 3HB ALA 8 -1.880 10.223 -10.140 6 H THR 9 H THR 9 -3.886 8.418 -12.841 7 HA THR 9 HA THR 9 -5.966 6.472 -12.392 8 HB THR 9 HB THR 9 -5.043 7.576 -14.628 9 HG1 THR 9 HG1 THR 9 -5.792 4.895 -14.836 10 1HG2 THR 9 1HG2 THR 9 -2.829 6.321 -14.242 11 2HG2 THR 9 2HG2 THR 9 -3.714 4.874 -14.721 12 3HG2 THR 9 3HG2 THR 9 -3.542 6.217 -15.851 13 H LEU 10 H LEU 10 -5.762 4.237 -12.271 14 HA LEU 10 HA LEU 10 -3.311 3.313 -10.904 15 1HB LEU 10 1HB LEU 10 -6.004 1.988 -11.396 16 2HB LEU 10 2HB LEU 10 -4.701 1.292 -10.438 17 HG LEU 10 HG LEU 10 -4.810 3.299 -8.942 18 1HD1 LEU 10 1HD1 LEU 10 -7.186 3.929 -10.707 19 2HD1 LEU 10 2HD1 LEU 10 -7.004 4.595 -9.083 20 3HD1 LEU 10 3HD1 LEU 10 -5.817 4.975 -10.329 21 1HD2 LEU 10 1HD2 LEU 10 -6.089 1.077 -8.643 22 2HD2 LEU 10 2HD2 LEU 10 -6.630 2.459 -7.690 23 3HD2 LEU 10 3HD2 LEU 10 -7.516 1.987 -9.139 24 H VAL 11 H VAL 11 -1.769 2.873 -12.566 25 HA VAL 11 HA VAL 11 -2.688 0.929 -14.648 26 HB VAL 11 HB VAL 11 -0.128 2.541 -14.709 27 1HG1 VAL 11 1HG1 VAL 11 -1.471 0.535 -16.386 28 2HG1 VAL 11 2HG1 VAL 11 -1.031 1.991 -17.278 29 3HG1 VAL 11 3HG1 VAL 11 0.207 1.075 -16.416 30 1HG2 VAL 11 1HG2 VAL 11 -2.936 3.281 -15.381 31 2HG2 VAL 11 2HG2 VAL 11 -1.592 4.309 -14.888 32 3HG2 VAL 11 3HG2 VAL 11 -1.701 3.736 -16.553 33 H GLY 12 H GLY 12 -2.371 -1.047 -13.645 34 1HA GLY 12 1HA GLY 12 0.336 -1.512 -12.456 35 2HA GLY 12 2HA GLY 12 -1.123 -2.345 -11.916 36 HA PRO 13 HA PRO 13 -0.027 -4.090 -16.277 37 1HB PRO 13 1HB PRO 13 2.473 -3.429 -17.213 38 2HB PRO 13 2HB PRO 13 0.998 -2.528 -17.605 39 1HG PRO 13 1HG PRO 13 3.182 -1.819 -15.686 40 2HG PRO 13 2HG PRO 13 2.137 -0.753 -16.642 41 1HD PRO 13 1HD PRO 13 1.791 -1.280 -13.918 42 2HD PRO 13 2HD PRO 13 0.530 -0.666 -15.004 43 H HIS 14 H HIS 14 0.934 -6.072 -16.626 44 HA HIS 14 HA HIS 14 3.312 -7.192 -15.922 45 1HB HIS 14 1HB HIS 14 3.181 -6.583 -13.616 46 2HB HIS 14 2HB HIS 14 1.500 -7.106 -13.506 47 HD1 HIS 14 HD1 HIS 14 5.012 -8.440 -13.745 48 HD2 HIS 14 HD2 HIS 14 1.151 -9.892 -13.151 49 HE1 HIS 14 HE1 HIS 14 5.256 -10.870 -13.078 50 H GLY 15 H GLY 15 -0.144 -7.616 -15.645 51 1HA GLY 15 1HA GLY 15 -1.325 -9.246 -17.028 52 2HA GLY 15 2HA GLY 15 0.120 -10.259 -16.987 53 HA PRO 16 HA PRO 16 -2.443 -12.072 -13.726 54 1HB PRO 16 1HB PRO 16 -1.442 -14.601 -14.096 55 2HB PRO 16 2HB PRO 16 -2.792 -13.939 -15.035 56 1HG PRO 16 1HG PRO 16 0.042 -14.366 -15.869 57 2HG PRO 16 2HG PRO 16 -1.424 -14.328 -16.862 58 1HD PRO 16 1HD PRO 16 0.449 -12.225 -16.608 59 2HD PRO 16 2HD PRO 16 -1.182 -12.087 -17.298 60 H LEU 17 H LEU 17 -1.771 -12.712 -11.607 61 HA LEU 17 HA LEU 17 1.184 -12.591 -11.169 62 1HB LEU 17 1HB LEU 17 -1.105 -11.601 -9.459 63 2HB LEU 17 2HB LEU 17 0.546 -11.750 -8.860 64 HG LEU 17 HG LEU 17 0.466 -10.388 -11.430 65 1HD1 LEU 17 1HD1 LEU 17 -1.801 -9.794 -10.272 66 2HD1 LEU 17 2HD1 LEU 17 -0.798 -8.841 -9.179 67 3HD1 LEU 17 3HD1 LEU 17 -0.804 -8.486 -10.907 68 1HD2 LEU 17 1HD2 LEU 17 1.997 -10.455 -9.081 69 2HD2 LEU 17 2HD2 LEU 17 2.268 -9.413 -10.478 70 3HD2 LEU 17 3HD2 LEU 17 1.305 -8.833 -9.119 71 H ALA 18 H ALA 18 1.966 -14.535 -10.585 72 HA ALA 18 HA ALA 18 0.152 -16.502 -9.307 73 1HB ALA 18 1HB ALA 18 2.549 -16.632 -10.973 74 2HB ALA 18 2HB ALA 18 2.672 -17.669 -9.553 75 3HB ALA 18 3HB ALA 18 1.328 -17.869 -10.678 76 H SER 19 H SER 19 1.205 -17.770 -7.436 77 HA SER 19 HA SER 19 1.774 -16.018 -5.287 78 1HB SER 19 1HB SER 19 1.093 -18.138 -4.589 79 2HB SER 19 2HB SER 19 2.145 -18.965 -5.734 80 HG SER 19 HG SER 19 3.264 -17.334 -3.740 81 H GLY 20 H GLY 20 3.546 -14.783 -5.009 82 1HA GLY 20 1HA GLY 20 5.880 -14.362 -4.735 83 2HA GLY 20 2HA GLY 20 6.223 -15.915 -5.502 84 H GLN 21 H GLN 21 4.190 -13.247 -6.670 85 HA GLN 21 HA GLN 21 5.912 -13.171 -9.116 86 1HB GLN 21 1HB GLN 21 3.422 -13.840 -9.247 87 2HB GLN 21 2HB GLN 21 3.088 -12.133 -8.957 88 1HG GLN 21 1HG GLN 21 3.162 -12.649 -11.377 89 2HG GLN 21 2HG GLN 21 4.435 -11.520 -10.914 90 1HE2 GLN 21 2HE2 GLN 21 3.901 -15.055 -11.385 91 2HE2 GLN 21 1HE2 GLN 21 5.481 -15.371 -11.915 92 H LEU 22 H LEU 22 6.434 -11.147 -10.036 93 HA LEU 22 HA LEU 22 6.225 -8.831 -8.159 94 1HB LEU 22 1HB LEU 22 8.527 -9.793 -8.790 95 2HB LEU 22 2HB LEU 22 8.227 -9.162 -10.405 96 HG LEU 22 HG LEU 22 9.563 -7.601 -8.974 97 1HD1 LEU 22 1HD1 LEU 22 7.672 -6.936 -10.769 98 2HD1 LEU 22 2HD1 LEU 22 6.966 -6.188 -9.336 99 3HD1 LEU 22 3HD1 LEU 22 8.580 -5.723 -9.869 100 1HD2 LEU 22 1HD2 LEU 22 7.519 -8.253 -7.081 101 2HD2 LEU 22 2HD2 LEU 22 8.957 -7.261 -6.840 102 3HD2 LEU 22 3HD2 LEU 22 7.456 -6.517 -7.389 103 H ALA 23 H ALA 23 4.415 -7.730 -8.902 104 HA ALA 23 HA ALA 23 3.988 -7.412 -11.808 105 1HB ALA 23 1HB ALA 23 2.422 -6.894 -9.333 106 2HB ALA 23 2HB ALA 23 2.130 -5.791 -10.678 107 3HB ALA 23 3HB ALA 23 1.884 -7.524 -10.890 108 H ALA 24 H ALA 24 3.931 -5.184 -12.778 109 HA ALA 24 HA ALA 24 5.641 -3.313 -11.180 110 1HB ALA 24 1HB ALA 24 5.606 -3.789 -14.172 111 2HB ALA 24 2HB ALA 24 6.508 -2.495 -13.380 112 3HB ALA 24 3HB ALA 24 6.911 -4.185 -13.048 113 H PHE 25 H PHE 25 4.298 -1.788 -10.440 114 HA PHE 25 HA PHE 25 1.947 -0.953 -12.021 115 1HB PHE 25 1HB PHE 25 2.858 -0.366 -9.200 116 2HB PHE 25 2HB PHE 25 1.429 0.351 -9.926 117 HD1 PHE 25 HD1 PHE 25 2.923 -3.116 -9.765 118 HD2 PHE 25 HD2 PHE 25 -0.536 -0.593 -9.264 119 HE1 PHE 25 HE1 PHE 25 1.564 -5.089 -9.116 120 HE2 PHE 25 HE2 PHE 25 -1.884 -2.580 -8.622 121 HZ PHE 25 HZ PHE 25 -0.833 -4.824 -8.550 122 H HIS 26 H HIS 26 1.373 1.358 -11.973 123 HA HIS 26 HA HIS 26 3.346 3.412 -11.616 124 1HB HIS 26 1HB HIS 26 4.125 3.799 -13.720 125 2HB HIS 26 2HB HIS 26 3.720 2.110 -13.987 126 HD1 HIS 26 HD1 HIS 26 2.480 1.818 -16.111 127 HD2 HIS 26 HD2 HIS 26 1.557 5.448 -14.308 128 HE1 HIS 26 HE1 HIS 26 0.852 2.993 -17.655 129 H ILE 27 H ILE 27 2.275 5.430 -11.535 130 HA ILE 27 HA ILE 27 -0.688 5.250 -11.871 131 HB ILE 27 HB ILE 27 0.420 7.562 -10.393 132 1HG1 ILE 27 1HG1 ILE 27 1.750 5.262 -9.824 133 2HG1 ILE 27 2HG1 ILE 27 1.358 6.468 -8.602 134 1HG2 ILE 27 1HG2 ILE 27 -1.713 5.482 -9.829 135 2HG2 ILE 27 2HG2 ILE 27 -1.426 6.928 -8.860 136 3HG2 ILE 27 3HG2 ILE 27 -1.981 7.075 -10.530 137 1HD1 ILE 27 1HD1 ILE 27 -0.425 4.106 -9.294 138 2HD1 ILE 27 2HD1 ILE 27 0.698 4.150 -7.931 139 3HD1 ILE 27 3HD1 ILE 27 -0.655 5.268 -7.984 140 H ALA 28 H ALA 28 -1.804 7.174 -12.777 141 HA ALA 28 HA ALA 28 0.051 8.877 -14.417 142 1HB ALA 28 1HB ALA 28 -1.292 6.837 -15.528 143 2HB ALA 28 2HB ALA 28 -2.531 8.089 -15.635 144 3HB ALA 28 3HB ALA 28 -0.956 8.339 -16.392 145 H ALA 29 H ALA 29 -0.329 10.987 -14.032 146 HA ALA 29 HA ALA 29 -2.733 12.327 -14.444 147 1HB ALA 29 1HB ALA 29 -2.571 11.151 -11.740 148 2HB ALA 29 2HB ALA 29 -3.009 12.858 -11.784 149 3HB ALA 29 3HB ALA 29 -3.982 11.675 -12.658 150 HA PRO 30 HA PRO 30 0.047 15.406 -12.202 151 1HB PRO 30 1HB PRO 30 1.801 14.503 -10.284 152 2HB PRO 30 2HB PRO 30 0.130 14.979 -9.935 153 1HG PRO 30 1HG PRO 30 1.306 12.242 -10.105 154 2HG PRO 30 2HG PRO 30 -0.086 12.810 -9.169 155 1HD PRO 30 1HD PRO 30 -0.212 11.371 -11.589 156 2HD PRO 30 2HD PRO 30 -1.545 12.271 -10.834 157 H LEU 31 H LEU 31 0.878 14.943 -14.434 158 HA LEU 31 HA LEU 31 2.901 13.388 -15.341 159 1HB LEU 31 1HB LEU 31 1.982 16.065 -15.963 160 2HB LEU 31 2HB LEU 31 3.711 15.899 -16.270 161 HG LEU 31 HG LEU 31 2.834 13.556 -17.302 162 1HD1 LEU 31 1HD1 LEU 31 0.491 15.259 -17.011 163 2HD1 LEU 31 2HD1 LEU 31 0.783 14.850 -18.701 164 3HD1 LEU 31 3HD1 LEU 31 0.586 13.570 -17.505 165 1HD2 LEU 31 1HD2 LEU 31 2.921 16.266 -18.660 166 2HD2 LEU 31 2HD2 LEU 31 4.270 15.147 -18.462 167 3HD2 LEU 31 3HD2 LEU 31 2.921 14.724 -19.516 168 HA PRO 32 HA PRO 32 6.440 15.939 -13.437 169 1HB PRO 32 1HB PRO 32 5.796 18.003 -11.738 170 2HB PRO 32 2HB PRO 32 5.990 18.192 -13.488 171 1HG PRO 32 1HG PRO 32 3.487 18.155 -11.871 172 2HG PRO 32 2HG PRO 32 3.800 18.922 -13.437 173 1HD PRO 32 1HD PRO 32 2.420 16.486 -13.021 174 2HD PRO 32 2HD PRO 32 3.003 17.109 -14.577 175 H VAL 33 H VAL 33 5.618 13.656 -12.249 176 HA VAL 33 HA VAL 33 5.248 14.096 -9.341 177 HB VAL 33 HB VAL 33 5.411 11.573 -11.012 178 1HG1 VAL 33 1HG1 VAL 33 5.081 11.928 -8.016 179 2HG1 VAL 33 2HG1 VAL 33 4.847 10.405 -8.876 180 3HG1 VAL 33 3HG1 VAL 33 6.442 11.156 -8.830 181 1HG2 VAL 33 1HG2 VAL 33 3.299 13.345 -10.176 182 2HG2 VAL 33 2HG2 VAL 33 3.192 11.904 -11.189 183 3HG2 VAL 33 3HG2 VAL 33 3.067 11.763 -9.435 184 H THR 34 H THR 34 6.831 13.562 -7.795 185 HA THR 34 HA THR 34 9.550 13.010 -8.899 186 HB THR 34 HB THR 34 9.263 15.287 -7.884 187 HG1 THR 34 HG1 THR 34 11.286 14.927 -7.542 188 1HG2 THR 34 1HG2 THR 34 7.632 14.273 -6.113 189 2HG2 THR 34 2HG2 THR 34 9.106 13.906 -5.218 190 3HG2 THR 34 3HG2 THR 34 8.714 15.577 -5.626 191 H ALA 35 H ALA 35 7.235 12.246 -6.409 192 HA ALA 35 HA ALA 35 8.558 9.669 -5.957 193 1HB ALA 35 1HB ALA 35 8.871 11.926 -4.115 194 2HB ALA 35 2HB ALA 35 8.188 10.500 -3.333 195 3HB ALA 35 3HB ALA 35 9.739 10.393 -4.163 196 H THR 36 H THR 36 7.080 8.157 -5.335 197 HA THR 36 HA THR 36 4.347 9.140 -4.601 198 HB THR 36 HB THR 36 4.145 8.282 -6.825 199 HG1 THR 36 HG1 THR 36 2.944 6.362 -6.442 200 1HG2 THR 36 1HG2 THR 36 6.409 7.145 -6.743 201 2HG2 THR 36 2HG2 THR 36 5.614 5.800 -5.929 202 3HG2 THR 36 3HG2 THR 36 5.147 6.235 -7.572 203 H ARG 37 H ARG 37 3.211 7.765 -3.109 204 HA ARG 37 HA ARG 37 5.000 5.822 -1.725 205 1HB ARG 37 1HB ARG 37 3.339 8.018 -0.701 206 2HB ARG 37 2HB ARG 37 3.103 6.489 0.146 207 1HG ARG 37 1HG ARG 37 5.630 6.320 0.326 208 2HG ARG 37 2HG ARG 37 5.703 7.982 -0.264 209 1HD ARG 37 1HD ARG 37 3.777 7.605 1.918 210 2HD ARG 37 2HD ARG 37 5.442 7.259 2.384 211 HE ARG 37 HE ARG 37 4.812 9.822 1.000 212 1HH1 ARG 37 1HH1 ARG 37 7.330 8.542 2.546 213 2HH1 ARG 37 2HH1 ARG 37 7.401 9.661 3.865 214 1HH2 ARG 37 1HH2 ARG 37 4.293 11.050 3.201 215 2HH2 ARG 37 2HH2 ARG 37 5.681 11.082 4.237 216 H TRP 38 H TRP 38 4.285 3.898 -2.585 217 HA TRP 38 HA TRP 38 1.393 3.447 -2.944 218 1HB TRP 38 1HB TRP 38 3.676 1.502 -3.299 219 2HB TRP 38 2HB TRP 38 2.017 1.260 -3.811 220 HD1 TRP 38 HD1 TRP 38 4.771 3.922 -4.444 221 HE1 TRP 38 HE1 TRP 38 4.723 4.480 -6.960 222 HE3 TRP 38 HE3 TRP 38 0.870 0.997 -5.940 223 HZ2 TRP 38 HZ2 TRP 38 3.243 3.792 -9.289 224 HZ3 TRP 38 HZ3 TRP 38 0.154 0.973 -8.309 225 HH2 TRP 38 HH2 TRP 38 1.331 2.367 -9.987 226 H ASP 39 H ASP 39 0.785 1.088 -2.205 227 HA ASP 39 HA ASP 39 1.918 0.378 0.411 228 1HB ASP 39 1HB ASP 39 -0.743 1.648 0.039 229 2HB ASP 39 2HB ASP 39 -0.726 0.211 1.060 230 H PHE 40 H PHE 40 2.457 -1.667 -0.307 231 HA PHE 40 HA PHE 40 0.640 -3.113 -2.084 232 1HB PHE 40 1HB PHE 40 3.010 -4.308 -0.650 233 2HB PHE 40 2HB PHE 40 2.252 -4.845 -2.142 234 HD1 PHE 40 HD1 PHE 40 2.023 -1.636 -2.900 235 HD2 PHE 40 HD2 PHE 40 5.149 -4.449 -1.997 236 HE1 PHE 40 HE1 PHE 40 3.627 -0.299 -4.232 237 HE2 PHE 40 HE2 PHE 40 6.741 -3.108 -3.327 238 HZ PHE 40 HZ PHE 40 5.983 -1.034 -4.444 239 H GLY 41 H GLY 41 1.937 -3.900 1.162 240 1HA GLY 41 1HA GLY 41 0.654 -4.727 3.006 241 2HA GLY 41 2HA GLY 41 -0.736 -4.911 1.932 242 H ASP 42 H ASP 42 2.297 -6.101 0.778 243 HA ASP 42 HA ASP 42 1.377 -8.888 1.280 244 1HB ASP 42 1HB ASP 42 3.117 -9.327 -0.644 245 2HB ASP 42 2HB ASP 42 1.517 -8.721 -1.052 246 H GLY 43 H GLY 43 4.594 -8.405 0.194 247 1HA GLY 43 1HA GLY 43 5.644 -9.315 2.766 248 2HA GLY 43 2HA GLY 43 6.593 -9.006 1.305 249 H SER 44 H SER 44 5.077 -6.331 1.080 250 HA SER 44 HA SER 44 6.378 -4.866 3.323 251 1HB SER 44 1HB SER 44 7.625 -3.481 1.948 252 2HB SER 44 2HB SER 44 7.689 -4.971 1.013 253 HG SER 44 HG SER 44 5.841 -4.172 -0.136 254 H ALA 45 H ALA 45 5.026 -3.342 4.163 255 HA ALA 45 HA ALA 45 2.402 -2.955 2.937 256 1HB ALA 45 1HB ALA 45 3.697 -2.018 5.485 257 2HB ALA 45 2HB ALA 45 2.140 -1.373 4.963 258 3HB ALA 45 3HB ALA 45 2.316 -3.098 5.286 259 H GLU 46 H GLU 46 4.230 -0.371 4.411 260 HA GLU 46 HA GLU 46 3.396 1.647 2.612 261 1HB GLU 46 1HB GLU 46 5.858 1.472 4.369 262 2HB GLU 46 2HB GLU 46 5.359 2.937 3.526 263 1HG GLU 46 1HG GLU 46 3.029 2.092 4.782 264 2HG GLU 46 2HG GLU 46 4.286 1.748 5.971 265 H VAL 47 H VAL 47 4.495 2.659 0.842 266 HA VAL 47 HA VAL 47 6.798 1.121 -0.277 267 HB VAL 47 HB VAL 47 4.390 2.059 -1.852 268 1HG1 VAL 47 1HG1 VAL 47 6.665 1.899 -2.981 269 2HG1 VAL 47 2HG1 VAL 47 6.609 0.168 -2.646 270 3HG1 VAL 47 3HG1 VAL 47 5.391 0.903 -3.684 271 1HG2 VAL 47 1HG2 VAL 47 4.285 0.014 -0.126 272 2HG2 VAL 47 2HG2 VAL 47 3.489 -0.049 -1.694 273 3HG2 VAL 47 3HG2 VAL 47 5.058 -0.823 -1.470 274 H ASP 48 H ASP 48 8.416 2.613 -0.390 275 HA ASP 48 HA ASP 48 7.734 5.423 -1.085 276 1HB ASP 48 1HB ASP 48 9.910 4.090 0.385 277 2HB ASP 48 2HB ASP 48 10.469 5.340 -0.729 278 H ALA 49 H ALA 49 7.361 5.301 -3.311 279 HA ALA 49 HA ALA 49 9.537 4.129 -4.985 280 1HB ALA 49 1HB ALA 49 6.708 3.976 -5.113 281 2HB ALA 49 2HB ALA 49 7.241 4.904 -6.514 282 3HB ALA 49 3HB ALA 49 7.879 3.283 -6.235 283 H ALA 50 H ALA 50 9.790 5.291 -7.162 284 HA ALA 50 HA ALA 50 10.021 8.214 -6.623 285 1HB ALA 50 1HB ALA 50 12.079 6.795 -7.218 286 2HB ALA 50 2HB ALA 50 11.395 6.689 -8.840 287 3HB ALA 50 3HB ALA 50 11.828 8.260 -8.167 288 H GLY 51 H GLY 51 9.408 9.710 -8.304 289 1HA GLY 51 1HA GLY 51 7.791 10.503 -9.821 290 2HA GLY 51 2HA GLY 51 8.365 9.173 -10.830 291 HA PRO 52 HA PRO 52 4.092 8.040 -9.768 292 1HB PRO 52 1HB PRO 52 3.262 7.740 -12.363 293 2HB PRO 52 2HB PRO 52 3.222 9.292 -11.512 294 1HG PRO 52 1HG PRO 52 5.039 8.405 -13.683 295 2HG PRO 52 2HG PRO 52 4.646 10.050 -13.158 296 1HD PRO 52 1HD PRO 52 7.010 8.535 -12.521 297 2HD PRO 52 2HD PRO 52 6.573 10.155 -11.933 298 H ALA 53 H ALA 53 6.472 6.200 -9.800 299 HA ALA 53 HA ALA 53 5.056 3.876 -11.027 300 1HB ALA 53 1HB ALA 53 7.449 5.075 -12.066 301 2HB ALA 53 2HB ALA 53 7.791 3.430 -11.532 302 3HB ALA 53 3HB ALA 53 6.512 3.728 -12.710 303 H ALA 54 H ALA 54 5.612 1.832 -10.217 304 HA ALA 54 HA ALA 54 7.631 1.299 -8.253 305 1HB ALA 54 1HB ALA 54 6.074 2.766 -6.885 306 2HB ALA 54 2HB ALA 54 4.836 1.532 -7.104 307 3HB ALA 54 3HB ALA 54 6.319 1.147 -6.229 308 H SER 55 H SER 55 7.494 -0.993 -7.599 309 HA SER 55 HA SER 55 5.519 -2.489 -9.277 310 1HB SER 55 1HB SER 55 7.747 -4.089 -8.369 311 2HB SER 55 2HB SER 55 7.169 -3.798 -10.007 312 HG SER 55 HG SER 55 9.114 -2.465 -8.508 313 H HIS 56 H HIS 56 4.819 -4.593 -8.386 314 HA HIS 56 HA HIS 56 4.572 -4.449 -5.411 315 1HB HIS 56 1HB HIS 56 2.698 -5.082 -7.604 316 2HB HIS 56 2HB HIS 56 2.587 -6.130 -6.190 317 HD1 HIS 56 HD1 HIS 56 2.598 -2.415 -7.034 318 HD2 HIS 56 HD2 HIS 56 1.272 -4.994 -4.050 319 HE1 HIS 56 HE1 HIS 56 1.233 -1.013 -5.420 320 H ARG 57 H ARG 57 5.030 -6.261 -4.209 321 HA ARG 57 HA ARG 57 6.040 -8.642 -5.714 322 1HB ARG 57 1HB ARG 57 7.420 -9.063 -3.611 323 2HB ARG 57 2HB ARG 57 7.904 -7.662 -4.564 324 1HG ARG 57 1HG ARG 57 5.880 -6.861 -2.680 325 2HG ARG 57 2HG ARG 57 7.157 -7.721 -1.826 326 1HD ARG 57 1HD ARG 57 7.558 -5.245 -2.033 327 2HD ARG 57 2HD ARG 57 8.848 -6.236 -2.710 328 HE ARG 57 HE ARG 57 6.725 -5.055 -4.455 329 1HH1 ARG 57 1HH1 ARG 57 9.662 -6.658 -4.456 330 2HH1 ARG 57 2HH1 ARG 57 10.461 -5.566 -5.534 331 1HH2 ARG 57 1HH2 ARG 57 7.898 -3.232 -5.506 332 2HH2 ARG 57 2HH2 ARG 57 9.464 -3.629 -6.131 333 H TYR 58 H TYR 58 4.062 -9.769 -5.700 334 HA TYR 58 HA TYR 58 2.749 -10.181 -3.069 335 1HB TYR 58 1HB TYR 58 1.936 -10.751 -5.925 336 2HB TYR 58 2HB TYR 58 1.008 -11.352 -4.551 337 HD1 TYR 58 HD1 TYR 58 0.789 -9.510 -2.601 338 HD2 TYR 58 HD2 TYR 58 1.162 -8.725 -6.800 339 HE1 TYR 58 HE1 TYR 58 -0.281 -7.303 -2.280 340 HE2 TYR 58 HE2 TYR 58 0.088 -6.513 -6.478 341 HH TYR 58 HH TYR 58 -0.645 -5.304 -3.241 342 H VAL 59 H VAL 59 2.891 -12.097 -1.970 343 HA VAL 59 HA VAL 59 4.386 -14.291 -3.344 344 HB VAL 59 HB VAL 59 4.298 -13.608 -0.396 345 1HG1 VAL 59 1HG1 VAL 59 4.989 -16.016 -1.800 346 2HG1 VAL 59 2HG1 VAL 59 6.457 -15.320 -1.111 347 3HG1 VAL 59 3HG1 VAL 59 5.082 -15.691 -0.069 348 1HG2 VAL 59 1HG2 VAL 59 5.595 -12.110 -2.102 349 2HG2 VAL 59 2HG2 VAL 59 6.439 -12.668 -0.658 350 3HG2 VAL 59 3HG2 VAL 59 6.707 -13.474 -2.202 351 H LEU 60 H LEU 60 1.747 -13.654 -0.994 352 HA LEU 60 HA LEU 60 1.024 -16.513 -1.051 353 1HB LEU 60 1HB LEU 60 0.712 -14.474 0.812 354 2HB LEU 60 2HB LEU 60 -0.917 -14.700 0.175 355 HG LEU 60 HG LEU 60 0.316 -17.271 0.598 356 1HD1 LEU 60 1HD1 LEU 60 1.548 -15.702 2.304 357 2HD1 LEU 60 2HD1 LEU 60 0.009 -15.734 3.164 358 3HD1 LEU 60 3HD1 LEU 60 0.883 -17.236 2.869 359 1HD2 LEU 60 1HD2 LEU 60 -2.165 -16.389 0.550 360 2HD2 LEU 60 2HD2 LEU 60 -1.743 -17.737 1.606 361 3HD2 LEU 60 3HD2 LEU 60 -1.897 -16.111 2.270 362 HA PRO 61 HA PRO 61 -1.905 -16.019 -4.305 363 1HB PRO 61 1HB PRO 61 -3.296 -18.349 -3.868 364 2HB PRO 61 2HB PRO 61 -1.702 -18.289 -4.636 365 1HG PRO 61 1HG PRO 61 -2.422 -19.173 -1.883 366 2HG PRO 61 2HG PRO 61 -1.039 -19.641 -2.884 367 1HD PRO 61 1HD PRO 61 -0.993 -17.786 -0.744 368 2HD PRO 61 2HD PRO 61 0.294 -18.034 -1.944 369 H GLY 62 H GLY 62 -3.792 -14.836 -4.343 370 1HA GLY 62 1HA GLY 62 -6.222 -15.277 -3.194 371 2HA GLY 62 2HA GLY 62 -5.337 -14.532 -1.862 372 H ARG 63 H ARG 63 -6.233 -12.491 -1.774 373 HA ARG 63 HA ARG 63 -5.977 -10.840 -4.248 374 1HB ARG 63 1HB ARG 63 -8.250 -10.629 -2.258 375 2HB ARG 63 2HB ARG 63 -8.083 -9.752 -3.780 376 1HG ARG 63 1HG ARG 63 -8.376 -11.738 -5.069 377 2HG ARG 63 2HG ARG 63 -8.190 -12.770 -3.650 378 1HD ARG 63 1HD ARG 63 -10.430 -12.722 -3.437 379 2HD ARG 63 2HD ARG 63 -10.274 -11.023 -2.988 380 HE ARG 63 HE ARG 63 -10.635 -11.883 -5.830 381 1HH1 ARG 63 1HH1 ARG 63 -10.077 -9.036 -5.506 382 2HH1 ARG 63 2HH1 ARG 63 -11.648 -8.332 -5.314 383 1HH2 ARG 63 1HH2 ARG 63 -13.187 -11.345 -4.549 384 2HH2 ARG 63 2HH2 ARG 63 -13.412 -9.642 -4.772 385 H TYR 64 H TYR 64 -4.760 -9.050 -3.884 386 HA TYR 64 HA TYR 64 -4.369 -8.188 -1.047 387 1HB TYR 64 1HB TYR 64 -2.625 -7.884 -3.496 388 2HB TYR 64 2HB TYR 64 -2.305 -7.062 -1.975 389 HD1 TYR 64 HD1 TYR 64 -2.863 -10.469 -3.422 390 HD2 TYR 64 HD2 TYR 64 -1.069 -8.141 -0.283 391 HE1 TYR 64 HE1 TYR 64 -1.653 -12.474 -2.619 392 HE2 TYR 64 HE2 TYR 64 0.132 -10.151 0.519 393 HH TYR 64 HH TYR 64 0.465 -12.318 0.252 394 H HIS 65 H HIS 65 -4.196 -5.852 -0.706 395 HA HIS 65 HA HIS 65 -5.803 -4.306 -2.696 396 1HB HIS 65 1HB HIS 65 -6.937 -4.454 -0.552 397 2HB HIS 65 2HB HIS 65 -5.483 -3.927 0.296 398 HD1 HIS 65 HD1 HIS 65 -8.216 -2.667 -1.969 399 HD2 HIS 65 HD2 HIS 65 -4.990 -1.144 0.188 400 HE1 HIS 65 HE1 HIS 65 -8.455 -0.144 -2.006 401 H VAL 66 H VAL 66 -4.821 -2.566 -3.629 402 HA VAL 66 HA VAL 66 -2.130 -1.796 -2.588 403 HB VAL 66 HB VAL 66 -3.248 -1.599 -5.395 404 1HG1 VAL 66 1HG1 VAL 66 -0.532 -0.925 -4.223 405 2HG1 VAL 66 2HG1 VAL 66 -0.859 -1.046 -5.953 406 3HG1 VAL 66 3HG1 VAL 66 -1.664 0.193 -4.993 407 1HG2 VAL 66 1HG2 VAL 66 -1.353 -3.504 -4.039 408 2HG2 VAL 66 2HG2 VAL 66 -2.792 -3.882 -4.985 409 3HG2 VAL 66 3HG2 VAL 66 -1.343 -3.275 -5.788 410 H THR 67 H THR 67 -1.584 0.442 -2.604 411 HA THR 67 HA THR 67 -3.696 2.399 -3.266 412 HB THR 67 HB THR 67 -4.177 3.041 -1.144 413 HG1 THR 67 HG1 THR 67 -2.622 3.723 0.162 414 1HG2 THR 67 1HG2 THR 67 -4.264 0.561 -0.944 415 2HG2 THR 67 2HG2 THR 67 -2.601 0.574 -0.361 416 3HG2 THR 67 3HG2 THR 67 -3.874 1.348 0.584 417 H ALA 68 H ALA 68 -2.737 4.641 -3.350 418 HA ALA 68 HA ALA 68 0.204 4.771 -3.105 419 1HB ALA 68 1HB ALA 68 -0.734 3.950 -5.523 420 2HB ALA 68 2HB ALA 68 -0.696 5.701 -5.751 421 3HB ALA 68 3HB ALA 68 0.775 4.839 -5.294 422 H VAL 69 H VAL 69 0.616 6.690 -2.215 423 HA VAL 69 HA VAL 69 -1.125 9.002 -2.944 424 HB VAL 69 HB VAL 69 -1.281 8.474 -0.548 425 1HG1 VAL 69 1HG1 VAL 69 1.146 7.464 -0.593 426 2HG1 VAL 69 2HG1 VAL 69 1.634 9.112 -0.199 427 3HG1 VAL 69 3HG1 VAL 69 0.550 8.233 0.878 428 1HG2 VAL 69 1HG2 VAL 69 0.051 10.963 -1.506 429 2HG2 VAL 69 2HG2 VAL 69 -1.510 10.756 -0.712 430 3HG2 VAL 69 3HG2 VAL 69 -0.026 10.712 0.237 431 H LEU 70 H LEU 70 -0.033 10.180 -4.474 432 HA LEU 70 HA LEU 70 2.919 10.120 -4.461 433 1HB LEU 70 1HB LEU 70 1.699 12.004 -6.333 434 2HB LEU 70 2HB LEU 70 2.827 10.694 -6.646 435 HG LEU 70 HG LEU 70 -0.175 10.430 -6.313 436 1HD1 LEU 70 1HD1 LEU 70 1.143 11.435 -8.426 437 2HD1 LEU 70 2HD1 LEU 70 1.309 9.716 -8.793 438 3HD1 LEU 70 3HD1 LEU 70 -0.295 10.427 -8.609 439 1HD2 LEU 70 1HD2 LEU 70 2.044 8.424 -6.739 440 2HD2 LEU 70 2HD2 LEU 70 0.721 8.360 -5.573 441 3HD2 LEU 70 3HD2 LEU 70 0.398 8.096 -7.288 442 H ALA 71 H ALA 71 4.227 11.964 -4.139 443 HA ALA 71 HA ALA 71 2.768 14.358 -3.104 444 1HB ALA 71 1HB ALA 71 5.294 13.112 -2.005 445 2HB ALA 71 2HB ALA 71 4.690 14.709 -1.553 446 3HB ALA 71 3HB ALA 71 3.739 13.267 -1.185 447 H LEU 72 H LEU 72 3.124 15.967 -4.433 448 HA LEU 72 HA LEU 72 5.660 16.080 -5.987 449 1HB LEU 72 1HB LEU 72 2.991 17.457 -6.334 450 2HB LEU 72 2HB LEU 72 4.394 17.760 -7.360 451 HG LEU 72 HG LEU 72 4.368 15.114 -7.611 452 1HD1 LEU 72 1HD1 LEU 72 1.512 15.827 -6.886 453 2HD1 LEU 72 2HD1 LEU 72 1.974 14.335 -7.703 454 3HD1 LEU 72 3HD1 LEU 72 2.553 14.662 -6.070 455 1HD2 LEU 72 1HD2 LEU 72 3.792 17.153 -9.249 456 2HD2 LEU 72 2HD2 LEU 72 3.503 15.479 -9.722 457 3HD2 LEU 72 3HD2 LEU 72 2.172 16.469 -9.119 458 H GLY 73 H GLY 73 4.047 17.470 -3.350 459 1HA GLY 73 1HA GLY 73 5.425 18.989 -1.914 460 2HA GLY 73 2HA GLY 73 5.885 19.830 -3.399 461 H ALA 74 H ALA 74 3.550 20.084 -4.740 462 HA ALA 74 HA ALA 74 1.809 21.629 -2.863 463 1HB ALA 74 1HB ALA 74 2.648 22.187 -5.709 464 2HB ALA 74 2HB ALA 74 1.256 22.977 -4.973 465 3HB ALA 74 3HB ALA 74 2.865 23.214 -4.292 466 H GLY 75 H GLY 75 1.931 18.930 -4.858 467 1HA GLY 75 1HA GLY 75 -1.035 18.805 -4.910 468 2HA GLY 75 2HA GLY 75 -0.169 18.551 -6.426 469 H SER 76 H SER 76 -1.791 16.543 -5.260 470 HA SER 76 HA SER 76 0.236 14.415 -4.918 471 1HB SER 76 1HB SER 76 -0.373 13.769 -2.779 472 2HB SER 76 2HB SER 76 -0.644 15.502 -2.636 473 HG SER 76 HG SER 76 -2.673 15.078 -2.354 474 H ALA 77 H ALA 77 -0.924 12.225 -4.891 475 HA ALA 77 HA ALA 77 -3.583 12.330 -6.219 476 1HB ALA 77 1HB ALA 77 -1.100 11.749 -7.534 477 2HB ALA 77 2HB ALA 77 -2.074 10.278 -7.483 478 3HB ALA 77 3HB ALA 77 -2.730 11.742 -8.216 479 H LEU 78 H LEU 78 -4.906 10.662 -5.526 480 HA LEU 78 HA LEU 78 -3.687 8.746 -3.603 481 1HB LEU 78 1HB LEU 78 -6.619 9.359 -4.054 482 2HB LEU 78 2HB LEU 78 -5.917 8.467 -2.704 483 HG LEU 78 HG LEU 78 -5.049 11.294 -3.283 484 1HD1 LEU 78 1HD1 LEU 78 -7.693 10.603 -2.729 485 2HD1 LEU 78 2HD1 LEU 78 -7.022 11.024 -1.153 486 3HD1 LEU 78 3HD1 LEU 78 -6.960 12.188 -2.476 487 1HD2 LEU 78 1HD2 LEU 78 -4.154 9.390 -1.532 488 2HD2 LEU 78 2HD2 LEU 78 -3.998 11.126 -1.267 489 3HD2 LEU 78 3HD2 LEU 78 -5.338 10.239 -0.539 490 H LEU 79 H LEU 79 -3.622 6.593 -4.022 491 HA LEU 79 HA LEU 79 -5.069 5.612 -6.440 492 1HB LEU 79 1HB LEU 79 -2.287 5.622 -5.774 493 2HB LEU 79 2HB LEU 79 -2.833 3.953 -5.795 494 HG LEU 79 HG LEU 79 -2.200 5.623 -7.997 495 1HD1 LEU 79 1HD1 LEU 79 -3.448 2.871 -7.822 496 2HD1 LEU 79 2HD1 LEU 79 -2.707 3.549 -9.270 497 3HD1 LEU 79 3HD1 LEU 79 -1.723 3.236 -7.841 498 1HD2 LEU 79 1HD2 LEU 79 -5.112 4.806 -7.927 499 2HD2 LEU 79 2HD2 LEU 79 -4.499 6.463 -7.934 500 3HD2 LEU 79 3HD2 LEU 79 -4.259 5.425 -9.342 501 H GLY 80 H GLY 80 -5.739 3.395 -6.365 502 1HA GLY 80 1HA GLY 80 -5.555 1.876 -3.888 503 2HA GLY 80 2HA GLY 80 -7.163 2.531 -4.185 504 H THR 81 H THR 81 -4.730 0.266 -5.399 505 HA THR 81 HA THR 81 -6.737 -0.732 -7.382 506 HB THR 81 HB THR 81 -5.021 -1.264 -8.768 507 HG1 THR 81 HG1 THR 81 -3.881 -2.857 -8.079 508 1HG2 THR 81 1HG2 THR 81 -4.410 1.032 -7.795 509 2HG2 THR 81 2HG2 THR 81 -3.200 0.175 -6.841 510 3HG2 THR 81 3HG2 THR 81 -3.119 0.141 -8.604 511 H ASP 82 H ASP 82 -6.148 -3.291 -7.730 512 HA ASP 82 HA ASP 82 -5.846 -4.685 -5.151 513 1HB ASP 82 1HB ASP 82 -8.398 -4.021 -5.922 514 2HB ASP 82 2HB ASP 82 -8.207 -5.615 -6.657 515 H VAL 83 H VAL 83 -5.088 -6.839 -5.504 516 HA VAL 83 HA VAL 83 -4.900 -7.637 -8.377 517 HB VAL 83 HB VAL 83 -2.660 -7.395 -8.236 518 1HG1 VAL 83 1HG1 VAL 83 -3.371 -6.198 -5.835 519 2HG1 VAL 83 2HG1 VAL 83 -2.228 -7.454 -5.335 520 3HG1 VAL 83 3HG1 VAL 83 -1.750 -6.236 -6.517 521 1HG2 VAL 83 1HG2 VAL 83 -2.840 -9.827 -7.807 522 2HG2 VAL 83 2HG2 VAL 83 -1.427 -9.128 -7.016 523 3HG2 VAL 83 3HG2 VAL 83 -2.873 -9.499 -6.074 524 H GLN 84 H GLN 84 -4.965 -9.884 -8.772 525 HA GLN 84 HA GLN 84 -5.871 -11.522 -6.439 526 1HB GLN 84 1HB GLN 84 -6.557 -11.834 -9.377 527 2HB GLN 84 2HB GLN 84 -7.169 -12.840 -8.062 528 1HG GLN 84 1HG GLN 84 -8.423 -11.060 -7.128 529 2HG GLN 84 2HG GLN 84 -7.533 -9.843 -8.044 530 1HE2 GLN 84 2HE2 GLN 84 -10.537 -10.682 -7.986 531 2HE2 GLN 84 1HE2 GLN 84 -10.919 -10.876 -9.630 532 H VAL 85 H VAL 85 -3.910 -12.480 -5.858 533 HA VAL 85 HA VAL 85 -2.127 -13.551 -7.924 534 HB VAL 85 HB VAL 85 -2.012 -13.734 -4.900 535 1HG1 VAL 85 1HG1 VAL 85 -0.353 -14.873 -7.081 536 2HG1 VAL 85 2HG1 VAL 85 0.537 -14.082 -5.781 537 3HG1 VAL 85 3HG1 VAL 85 -0.552 -15.421 -5.416 538 1HG2 VAL 85 1HG2 VAL 85 -1.391 -11.654 -6.815 539 2HG2 VAL 85 2HG2 VAL 85 -1.312 -11.596 -5.052 540 3HG2 VAL 85 3HG2 VAL 85 0.074 -12.171 -5.980 541 H GLU 86 H GLU 86 -1.770 -15.747 -8.349 542 HA GLU 86 HA GLU 86 -3.676 -17.661 -7.059 543 1HB GLU 86 1HB GLU 86 -2.770 -17.764 -9.947 544 2HB GLU 86 2HB GLU 86 -4.029 -18.735 -9.186 545 1HG GLU 86 1HG GLU 86 -5.578 -17.075 -9.331 546 2HG GLU 86 2HG GLU 86 -4.405 -15.810 -8.969 547 H ALA 87 H ALA 87 -2.577 -19.897 -8.594 548 HA ALA 87 HA ALA 87 -0.915 -21.513 -8.354 549 1HB ALA 87 1HB ALA 87 0.211 -19.197 -9.358 550 2HB ALA 87 2HB ALA 87 1.295 -19.639 -8.037 551 3HB ALA 87 3HB ALA 87 0.972 -20.788 -9.337 Start of MODEL 5 1 H ALA 8 H ALA 8 -4.021 9.537 -8.285 2 HA ALA 8 HA ALA 8 -3.940 10.227 -11.183 3 1HB ALA 8 1HB ALA 8 -2.045 8.791 -9.316 4 2HB ALA 8 2HB ALA 8 -1.896 8.629 -11.068 5 3HB ALA 8 3HB ALA 8 -1.743 10.214 -10.314 6 H THR 9 H THR 9 -4.055 8.459 -12.747 7 HA THR 9 HA THR 9 -6.133 6.580 -12.095 8 HB THR 9 HB THR 9 -5.334 7.631 -14.417 9 HG1 THR 9 HG1 THR 9 -7.189 6.603 -14.497 10 1HG2 THR 9 1HG2 THR 9 -3.202 6.155 -14.172 11 2HG2 THR 9 2HG2 THR 9 -4.265 4.836 -14.662 12 3HG2 THR 9 3HG2 THR 9 -4.016 6.211 -15.735 13 H LEU 10 H LEU 10 -5.999 4.349 -11.955 14 HA LEU 10 HA LEU 10 -3.580 3.337 -10.639 15 1HB LEU 10 1HB LEU 10 -6.238 2.017 -11.337 16 2HB LEU 10 2HB LEU 10 -4.986 1.284 -10.343 17 HG LEU 10 HG LEU 10 -5.226 3.148 -8.712 18 1HD1 LEU 10 1HD1 LEU 10 -7.378 4.024 -10.645 19 2HD1 LEU 10 2HD1 LEU 10 -7.372 4.526 -8.954 20 3HD1 LEU 10 3HD1 LEU 10 -6.037 4.978 -10.011 21 1HD2 LEU 10 1HD2 LEU 10 -7.754 1.649 -9.430 22 2HD2 LEU 10 2HD2 LEU 10 -6.484 1.106 -8.336 23 3HD2 LEU 10 3HD2 LEU 10 -7.496 2.483 -7.898 24 H VAL 11 H VAL 11 -1.911 2.662 -12.021 25 HA VAL 11 HA VAL 11 -2.761 0.939 -14.319 26 HB VAL 11 HB VAL 11 -0.172 2.399 -14.487 27 1HG1 VAL 11 1HG1 VAL 11 -2.299 1.268 -16.251 28 2HG1 VAL 11 2HG1 VAL 11 -1.409 2.659 -16.869 29 3HG1 VAL 11 3HG1 VAL 11 -0.546 1.190 -16.417 30 1HG2 VAL 11 1HG2 VAL 11 -2.871 3.697 -14.414 31 2HG2 VAL 11 2HG2 VAL 11 -1.308 4.336 -13.904 32 3HG2 VAL 11 3HG2 VAL 11 -1.716 4.265 -15.618 33 H GLY 12 H GLY 12 -2.337 -1.074 -13.430 34 1HA GLY 12 1HA GLY 12 0.412 -1.484 -12.316 35 2HA GLY 12 2HA GLY 12 -0.996 -2.398 -11.778 36 HA PRO 13 HA PRO 13 0.032 -3.854 -16.264 37 1HB PRO 13 1HB PRO 13 2.493 -3.076 -17.204 38 2HB PRO 13 2HB PRO 13 0.991 -2.181 -17.499 39 1HG PRO 13 1HG PRO 13 3.198 -1.579 -15.562 40 2HG PRO 13 2HG PRO 13 2.142 -0.459 -16.443 41 1HD PRO 13 1HD PRO 13 1.813 -1.137 -13.764 42 2HD PRO 13 2HD PRO 13 0.524 -0.509 -14.808 43 H HIS 14 H HIS 14 1.023 -5.745 -16.815 44 HA HIS 14 HA HIS 14 3.386 -6.941 -16.471 45 1HB HIS 14 1HB HIS 14 2.458 -6.392 -13.801 46 2HB HIS 14 2HB HIS 14 2.496 -8.135 -14.053 47 HD1 HIS 14 HD1 HIS 14 4.783 -5.224 -15.014 48 HD2 HIS 14 HD2 HIS 14 5.011 -9.124 -13.559 49 HE1 HIS 14 HE1 HIS 14 7.249 -5.733 -14.710 50 H GLY 15 H GLY 15 3.149 -9.455 -15.996 51 1HA GLY 15 1HA GLY 15 0.863 -10.334 -17.596 52 2HA GLY 15 2HA GLY 15 2.138 -11.369 -16.950 53 HA PRO 16 HA PRO 16 -1.390 -12.360 -14.300 54 1HB PRO 16 1HB PRO 16 -0.572 -14.946 -13.869 55 2HB PRO 16 2HB PRO 16 -1.537 -14.446 -15.269 56 1HG PRO 16 1HG PRO 16 1.360 -15.147 -15.142 57 2HG PRO 16 2HG PRO 16 0.237 -15.261 -16.508 58 1HD PRO 16 1HD PRO 16 2.163 -13.225 -16.122 59 2HD PRO 16 2HD PRO 16 0.810 -13.174 -17.272 60 H LEU 17 H LEU 17 -1.410 -12.589 -11.994 61 HA LEU 17 HA LEU 17 1.254 -12.171 -10.745 62 1HB LEU 17 1HB LEU 17 -1.562 -11.480 -9.982 63 2HB LEU 17 2HB LEU 17 -0.361 -11.675 -8.708 64 HG LEU 17 HG LEU 17 -0.543 -9.315 -9.488 65 1HD1 LEU 17 1HD1 LEU 17 1.886 -10.942 -9.443 66 2HD1 LEU 17 2HD1 LEU 17 2.075 -9.474 -10.404 67 3HD1 LEU 17 3HD1 LEU 17 1.578 -9.368 -8.714 68 1HD2 LEU 17 1HD2 LEU 17 -1.034 -10.091 -11.905 69 2HD2 LEU 17 2HD2 LEU 17 -0.003 -8.675 -11.701 70 3HD2 LEU 17 3HD2 LEU 17 0.716 -10.244 -12.070 71 H ALA 18 H ALA 18 1.851 -14.440 -10.837 72 HA ALA 18 HA ALA 18 0.163 -16.386 -9.432 73 1HB ALA 18 1HB ALA 18 2.998 -16.631 -10.487 74 2HB ALA 18 2HB ALA 18 2.002 -17.965 -9.906 75 3HB ALA 18 3HB ALA 18 1.539 -17.088 -11.365 76 H SER 19 H SER 19 1.174 -17.664 -7.586 77 HA SER 19 HA SER 19 1.808 -15.985 -5.410 78 1HB SER 19 1HB SER 19 1.115 -18.136 -4.788 79 2HB SER 19 2HB SER 19 2.203 -18.921 -5.931 80 HG SER 19 HG SER 19 3.312 -17.312 -3.931 81 H GLY 20 H GLY 20 3.575 -14.744 -5.165 82 1HA GLY 20 1HA GLY 20 5.920 -14.352 -4.884 83 2HA GLY 20 2HA GLY 20 6.247 -15.884 -5.701 84 H GLN 21 H GLN 21 4.217 -13.173 -6.775 85 HA GLN 21 HA GLN 21 5.929 -13.021 -9.225 86 1HB GLN 21 1HB GLN 21 3.606 -13.747 -9.627 87 2HB GLN 21 2HB GLN 21 3.015 -12.272 -8.863 88 1HG GLN 21 1HG GLN 21 2.969 -11.783 -11.177 89 2HG GLN 21 2HG GLN 21 4.449 -11.018 -10.607 90 1HE2 GLN 21 2HE2 GLN 21 4.495 -11.550 -13.263 91 2HE2 GLN 21 1HE2 GLN 21 5.427 -12.923 -13.617 92 H LEU 22 H LEU 22 6.575 -11.010 -9.995 93 HA LEU 22 HA LEU 22 6.282 -8.738 -8.085 94 1HB LEU 22 1HB LEU 22 8.602 -9.661 -8.770 95 2HB LEU 22 2HB LEU 22 8.289 -8.929 -10.340 96 HG LEU 22 HG LEU 22 9.602 -7.471 -8.743 97 1HD1 LEU 22 1HD1 LEU 22 7.889 -6.701 -10.638 98 2HD1 LEU 22 2HD1 LEU 22 7.004 -6.077 -9.244 99 3HD1 LEU 22 3HD1 LEU 22 8.645 -5.526 -9.563 100 1HD2 LEU 22 1HD2 LEU 22 7.600 -8.263 -6.954 101 2HD2 LEU 22 2HD2 LEU 22 8.837 -7.041 -6.670 102 3HD2 LEU 22 3HD2 LEU 22 7.255 -6.566 -7.288 103 H ALA 23 H ALA 23 4.301 -7.877 -8.883 104 HA ALA 23 HA ALA 23 3.915 -7.409 -11.746 105 1HB ALA 23 1HB ALA 23 2.390 -6.993 -9.254 106 2HB ALA 23 2HB ALA 23 2.131 -5.750 -10.478 107 3HB ALA 23 3HB ALA 23 1.813 -7.442 -10.860 108 H ALA 24 H ALA 24 3.790 -5.111 -12.658 109 HA ALA 24 HA ALA 24 5.524 -3.298 -11.016 110 1HB ALA 24 1HB ALA 24 5.512 -3.671 -14.023 111 2HB ALA 24 2HB ALA 24 6.422 -2.421 -13.171 112 3HB ALA 24 3HB ALA 24 6.805 -4.127 -12.905 113 H PHE 25 H PHE 25 4.376 -1.585 -10.376 114 HA PHE 25 HA PHE 25 1.930 -0.863 -11.889 115 1HB PHE 25 1HB PHE 25 2.868 -0.309 -9.078 116 2HB PHE 25 2HB PHE 25 1.455 0.461 -9.781 117 HD1 PHE 25 HD1 PHE 25 2.871 -3.039 -9.640 118 HD2 PHE 25 HD2 PHE 25 -0.546 -0.445 -9.206 119 HE1 PHE 25 HE1 PHE 25 1.453 -4.989 -9.041 120 HE2 PHE 25 HE2 PHE 25 -1.950 -2.409 -8.612 121 HZ PHE 25 HZ PHE 25 -0.951 -4.674 -8.530 122 H HIS 26 H HIS 26 1.316 1.470 -11.621 123 HA HIS 26 HA HIS 26 3.191 3.562 -11.337 124 1HB HIS 26 1HB HIS 26 3.941 4.062 -13.446 125 2HB HIS 26 2HB HIS 26 3.785 2.323 -13.645 126 HD1 HIS 26 HD1 HIS 26 2.548 1.669 -15.677 127 HD2 HIS 26 HD2 HIS 26 1.325 5.404 -14.307 128 HE1 HIS 26 HE1 HIS 26 0.900 2.552 -17.383 129 H ILE 27 H ILE 27 2.071 5.600 -11.520 130 HA ILE 27 HA ILE 27 -0.884 5.257 -11.827 131 HB ILE 27 HB ILE 27 0.047 7.631 -10.346 132 1HG1 ILE 27 1HG1 ILE 27 1.556 5.405 -9.791 133 2HG1 ILE 27 2HG1 ILE 27 1.161 6.645 -8.608 134 1HG2 ILE 27 1HG2 ILE 27 -1.911 5.371 -9.869 135 2HG2 ILE 27 2HG2 ILE 27 -1.675 6.700 -8.731 136 3HG2 ILE 27 3HG2 ILE 27 -2.289 7.021 -10.358 137 1HD1 ILE 27 1HD1 ILE 27 -0.622 4.245 -9.125 138 2HD1 ILE 27 2HD1 ILE 27 0.645 4.267 -7.890 139 3HD1 ILE 27 3HD1 ILE 27 -0.699 5.393 -7.783 140 H ALA 28 H ALA 28 -2.044 7.121 -12.810 141 HA ALA 28 HA ALA 28 -0.189 8.794 -14.481 142 1HB ALA 28 1HB ALA 28 -1.588 6.757 -15.512 143 2HB ALA 28 2HB ALA 28 -2.817 8.018 -15.616 144 3HB ALA 28 3HB ALA 28 -1.261 8.234 -16.419 145 H ALA 29 H ALA 29 -0.506 10.911 -14.166 146 HA ALA 29 HA ALA 29 -2.855 12.328 -14.560 147 1HB ALA 29 1HB ALA 29 -2.712 11.205 -11.829 148 2HB ALA 29 2HB ALA 29 -3.106 12.922 -11.916 149 3HB ALA 29 3HB ALA 29 -4.112 11.742 -12.756 150 HA PRO 30 HA PRO 30 0.085 15.340 -12.439 151 1HB PRO 30 1HB PRO 30 1.794 14.433 -10.485 152 2HB PRO 30 2HB PRO 30 0.145 14.988 -10.151 153 1HG PRO 30 1HG PRO 30 1.206 12.202 -10.231 154 2HG PRO 30 2HG PRO 30 -0.155 12.858 -9.307 155 1HD PRO 30 1HD PRO 30 -0.357 11.344 -11.677 156 2HD PRO 30 2HD PRO 30 -1.647 12.323 -10.947 157 H LEU 31 H LEU 31 0.889 14.739 -14.651 158 HA LEU 31 HA LEU 31 2.844 12.978 -15.396 159 1HB LEU 31 1HB LEU 31 2.936 15.882 -16.245 160 2HB LEU 31 2HB LEU 31 3.517 14.488 -17.148 161 HG LEU 31 HG LEU 31 0.659 15.237 -16.519 162 1HD1 LEU 31 1HD1 LEU 31 2.046 16.019 -18.600 163 2HD1 LEU 31 2HD1 LEU 31 1.791 14.368 -19.165 164 3HD1 LEU 31 3HD1 LEU 31 0.407 15.411 -18.838 165 1HD2 LEU 31 1HD2 LEU 31 1.824 12.577 -17.368 166 2HD2 LEU 31 2HD2 LEU 31 0.703 12.901 -16.046 167 3HD2 LEU 31 3HD2 LEU 31 0.152 13.017 -17.717 168 HA PRO 32 HA PRO 32 6.444 15.627 -13.774 169 1HB PRO 32 1HB PRO 32 5.873 17.834 -12.243 170 2HB PRO 32 2HB PRO 32 6.027 17.875 -14.007 171 1HG PRO 32 1HG PRO 32 3.568 18.037 -12.338 172 2HG PRO 32 2HG PRO 32 3.850 18.636 -13.980 173 1HD PRO 32 1HD PRO 32 2.456 16.263 -13.265 174 2HD PRO 32 2HD PRO 32 2.951 16.751 -14.897 175 H VAL 33 H VAL 33 5.574 13.472 -12.375 176 HA VAL 33 HA VAL 33 5.316 14.205 -9.513 177 HB VAL 33 HB VAL 33 5.209 11.563 -10.983 178 1HG1 VAL 33 1HG1 VAL 33 5.207 12.111 -7.998 179 2HG1 VAL 33 2HG1 VAL 33 4.753 10.570 -8.727 180 3HG1 VAL 33 3HG1 VAL 33 6.402 11.169 -8.891 181 1HG2 VAL 33 1HG2 VAL 33 3.300 13.513 -10.272 182 2HG2 VAL 33 2HG2 VAL 33 2.982 11.885 -10.869 183 3HG2 VAL 33 3HG2 VAL 33 3.073 12.186 -9.134 184 H THR 34 H THR 34 6.902 13.637 -7.957 185 HA THR 34 HA THR 34 9.573 12.965 -9.108 186 HB THR 34 HB THR 34 9.910 15.089 -8.220 187 HG1 THR 34 HG1 THR 34 11.252 14.676 -6.639 188 1HG2 THR 34 1HG2 THR 34 7.820 14.274 -6.208 189 2HG2 THR 34 2HG2 THR 34 8.848 15.679 -5.930 190 3HG2 THR 34 3HG2 THR 34 7.790 15.626 -7.340 191 H ALA 35 H ALA 35 7.278 12.247 -6.590 192 HA ALA 35 HA ALA 35 8.583 9.663 -6.128 193 1HB ALA 35 1HB ALA 35 8.533 11.860 -4.061 194 2HB ALA 35 2HB ALA 35 8.551 10.163 -3.579 195 3HB ALA 35 3HB ALA 35 9.881 10.824 -4.531 196 H THR 36 H THR 36 7.144 8.170 -5.266 197 HA THR 36 HA THR 36 4.405 9.177 -4.609 198 HB THR 36 HB THR 36 4.204 8.264 -6.813 199 HG1 THR 36 HG1 THR 36 2.995 6.346 -6.374 200 1HG2 THR 36 1HG2 THR 36 6.454 7.094 -6.676 201 2HG2 THR 36 2HG2 THR 36 5.620 5.778 -5.852 202 3HG2 THR 36 3HG2 THR 36 5.183 6.199 -7.509 203 H ARG 37 H ARG 37 3.202 7.673 -3.205 204 HA ARG 37 HA ARG 37 5.011 5.848 -1.688 205 1HB ARG 37 1HB ARG 37 2.862 7.713 -0.654 206 2HB ARG 37 2HB ARG 37 3.564 6.417 0.318 207 1HG ARG 37 1HG ARG 37 5.778 7.719 -0.771 208 2HG ARG 37 2HG ARG 37 4.674 9.028 -0.349 209 1HD ARG 37 1HD ARG 37 5.643 6.822 1.491 210 2HD ARG 37 2HD ARG 37 6.078 8.529 1.579 211 HE ARG 37 HE ARG 37 3.806 7.427 2.822 212 1HH1 ARG 37 1HH1 ARG 37 5.051 10.340 1.734 213 2HH1 ARG 37 2HH1 ARG 37 3.537 11.179 1.694 214 1HH2 ARG 37 1HH2 ARG 37 1.638 8.340 2.290 215 2HH2 ARG 37 2HH2 ARG 37 1.607 10.049 2.010 216 H TRP 38 H TRP 38 4.351 3.893 -2.502 217 HA TRP 38 HA TRP 38 1.469 3.389 -2.909 218 1HB TRP 38 1HB TRP 38 3.823 1.527 -3.246 219 2HB TRP 38 2HB TRP 38 2.171 1.191 -3.726 220 HD1 TRP 38 HD1 TRP 38 4.855 3.897 -4.448 221 HE1 TRP 38 HE1 TRP 38 4.673 4.487 -6.955 222 HE3 TRP 38 HE3 TRP 38 0.874 0.996 -5.768 223 HZ2 TRP 38 HZ2 TRP 38 3.060 3.833 -9.208 224 HZ3 TRP 38 HZ3 TRP 38 0.028 1.004 -8.093 225 HH2 TRP 38 HH2 TRP 38 1.114 2.421 -9.814 226 H ASP 39 H ASP 39 0.849 1.069 -2.154 227 HA ASP 39 HA ASP 39 1.977 0.320 0.445 228 1HB ASP 39 1HB ASP 39 -0.427 1.904 0.252 229 2HB ASP 39 2HB ASP 39 -0.841 0.295 0.846 230 H PHE 40 H PHE 40 2.439 -1.742 -0.283 231 HA PHE 40 HA PHE 40 0.571 -3.098 -2.081 232 1HB PHE 40 1HB PHE 40 2.846 -4.459 -0.641 233 2HB PHE 40 2HB PHE 40 2.108 -4.885 -2.178 234 HD1 PHE 40 HD1 PHE 40 2.078 -1.695 -2.901 235 HD2 PHE 40 HD2 PHE 40 5.048 -4.619 -1.827 236 HE1 PHE 40 HE1 PHE 40 3.812 -0.398 -4.106 237 HE2 PHE 40 HE2 PHE 40 6.768 -3.316 -3.033 238 HZ PHE 40 HZ PHE 40 6.152 -1.207 -4.171 239 H GLY 41 H GLY 41 1.817 -3.959 1.164 240 1HA GLY 41 1HA GLY 41 0.460 -4.704 2.998 241 2HA GLY 41 2HA GLY 41 -0.905 -4.871 1.893 242 H ASP 42 H ASP 42 2.097 -6.151 0.788 243 HA ASP 42 HA ASP 42 1.088 -8.906 1.284 244 1HB ASP 42 1HB ASP 42 2.934 -9.397 -0.534 245 2HB ASP 42 2HB ASP 42 1.370 -8.767 -1.033 246 H GLY 43 H GLY 43 4.380 -8.483 0.396 247 1HA GLY 43 1HA GLY 43 5.232 -9.412 3.042 248 2HA GLY 43 2HA GLY 43 6.275 -9.196 1.630 249 H SER 44 H SER 44 4.886 -6.460 1.258 250 HA SER 44 HA SER 44 6.169 -4.994 3.514 251 1HB SER 44 1HB SER 44 7.425 -3.606 2.099 252 2HB SER 44 2HB SER 44 7.596 -5.181 1.331 253 HG SER 44 HG SER 44 5.740 -4.546 0.034 254 H ALA 45 H ALA 45 4.843 -3.411 4.282 255 HA ALA 45 HA ALA 45 2.269 -2.970 2.970 256 1HB ALA 45 1HB ALA 45 3.503 -2.243 5.580 257 2HB ALA 45 2HB ALA 45 2.174 -1.240 4.997 258 3HB ALA 45 3HB ALA 45 1.931 -2.969 5.245 259 H GLU 46 H GLU 46 4.111 -0.418 4.466 260 HA GLU 46 HA GLU 46 3.387 1.618 2.654 261 1HB GLU 46 1HB GLU 46 5.197 2.928 3.653 262 2HB GLU 46 2HB GLU 46 4.369 2.009 4.909 263 1HG GLU 46 1HG GLU 46 6.488 0.411 3.775 264 2HG GLU 46 2HG GLU 46 7.130 1.966 4.301 265 H VAL 47 H VAL 47 4.559 2.640 0.932 266 HA VAL 47 HA VAL 47 6.846 1.082 -0.187 267 HB VAL 47 HB VAL 47 4.457 2.009 -1.797 268 1HG1 VAL 47 1HG1 VAL 47 6.744 1.828 -2.898 269 2HG1 VAL 47 2HG1 VAL 47 6.679 0.100 -2.550 270 3HG1 VAL 47 3HG1 VAL 47 5.476 0.832 -3.609 271 1HG2 VAL 47 1HG2 VAL 47 4.245 0.015 -0.072 272 2HG2 VAL 47 2HG2 VAL 47 3.576 -0.124 -1.694 273 3HG2 VAL 47 3HG2 VAL 47 5.129 -0.867 -1.315 274 H ASP 48 H ASP 48 8.467 2.483 -0.615 275 HA ASP 48 HA ASP 48 7.785 5.328 -1.217 276 1HB ASP 48 1HB ASP 48 10.390 4.056 -0.312 277 2HB ASP 48 2HB ASP 48 10.176 5.772 -0.661 278 H ALA 49 H ALA 49 7.595 5.516 -3.434 279 HA ALA 49 HA ALA 49 9.696 4.162 -5.085 280 1HB ALA 49 1HB ALA 49 6.948 3.793 -5.182 281 2HB ALA 49 2HB ALA 49 7.269 4.903 -6.516 282 3HB ALA 49 3HB ALA 49 8.099 3.347 -6.442 283 H ALA 50 H ALA 50 9.946 5.260 -7.285 284 HA ALA 50 HA ALA 50 10.211 8.186 -6.834 285 1HB ALA 50 1HB ALA 50 11.569 6.195 -8.630 286 2HB ALA 50 2HB ALA 50 11.584 7.908 -9.052 287 3HB ALA 50 3HB ALA 50 12.289 7.370 -7.528 288 H GLY 51 H GLY 51 9.493 9.673 -8.456 289 1HA GLY 51 1HA GLY 51 7.786 10.498 -9.848 290 2HA GLY 51 2HA GLY 51 8.264 9.163 -10.899 291 HA PRO 52 HA PRO 52 4.057 8.076 -9.553 292 1HB PRO 52 1HB PRO 52 3.050 7.802 -12.089 293 2HB PRO 52 2HB PRO 52 3.086 9.351 -11.229 294 1HG PRO 52 1HG PRO 52 4.740 8.457 -13.522 295 2HG PRO 52 2HG PRO 52 4.403 10.102 -12.962 296 1HD PRO 52 1HD PRO 52 6.789 8.558 -12.495 297 2HD PRO 52 2HD PRO 52 6.411 10.179 -11.871 298 H ALA 53 H ALA 53 6.426 6.220 -9.788 299 HA ALA 53 HA ALA 53 4.903 3.928 -10.958 300 1HB ALA 53 1HB ALA 53 7.243 5.108 -12.099 301 2HB ALA 53 2HB ALA 53 7.631 3.475 -11.558 302 3HB ALA 53 3HB ALA 53 6.299 3.737 -12.684 303 H ALA 54 H ALA 54 5.590 1.835 -10.268 304 HA ALA 54 HA ALA 54 7.599 1.377 -8.250 305 1HB ALA 54 1HB ALA 54 4.707 1.498 -7.326 306 2HB ALA 54 2HB ALA 54 6.040 0.849 -6.369 307 3HB ALA 54 3HB ALA 54 6.008 2.562 -6.792 308 H SER 55 H SER 55 6.567 -0.898 -7.058 309 HA SER 55 HA SER 55 5.330 -2.534 -9.193 310 1HB SER 55 1HB SER 55 7.504 -4.038 -8.076 311 2HB SER 55 2HB SER 55 7.171 -3.655 -9.762 312 HG SER 55 HG SER 55 8.765 -2.320 -7.882 313 H HIS 56 H HIS 56 5.077 -4.915 -8.213 314 HA HIS 56 HA HIS 56 4.500 -4.652 -5.298 315 1HB HIS 56 1HB HIS 56 2.643 -5.227 -7.530 316 2HB HIS 56 2HB HIS 56 2.463 -6.233 -6.093 317 HD1 HIS 56 HD1 HIS 56 2.705 -2.537 -6.997 318 HD2 HIS 56 HD2 HIS 56 1.133 -4.993 -4.027 319 HE1 HIS 56 HE1 HIS 56 1.375 -1.033 -5.446 320 H ARG 57 H ARG 57 5.129 -6.374 -4.128 321 HA ARG 57 HA ARG 57 6.064 -8.793 -5.606 322 1HB ARG 57 1HB ARG 57 7.363 -9.233 -3.457 323 2HB ARG 57 2HB ARG 57 7.881 -7.818 -4.371 324 1HG ARG 57 1HG ARG 57 5.776 -7.056 -2.558 325 2HG ARG 57 2HG ARG 57 7.030 -7.914 -1.668 326 1HD ARG 57 1HD ARG 57 7.397 -5.420 -1.848 327 2HD ARG 57 2HD ARG 57 8.733 -6.400 -2.446 328 HE ARG 57 HE ARG 57 6.708 -5.151 -4.268 329 1HH1 ARG 57 1HH1 ARG 57 9.654 -6.839 -3.981 330 2HH1 ARG 57 2HH1 ARG 57 10.471 -5.917 -5.195 331 1HH2 ARG 57 1HH2 ARG 57 7.881 -3.655 -5.617 332 2HH2 ARG 57 2HH2 ARG 57 9.470 -4.121 -6.121 333 H TYR 58 H TYR 58 3.991 -9.802 -5.678 334 HA TYR 58 HA TYR 58 2.636 -10.293 -3.089 335 1HB TYR 58 1HB TYR 58 1.897 -10.792 -5.979 336 2HB TYR 58 2HB TYR 58 0.930 -11.427 -4.649 337 HD1 TYR 58 HD1 TYR 58 0.763 -9.580 -2.638 338 HD2 TYR 58 HD2 TYR 58 1.047 -8.797 -6.843 339 HE1 TYR 58 HE1 TYR 58 -0.319 -7.386 -2.296 340 HE2 TYR 58 HE2 TYR 58 -0.042 -6.594 -6.501 341 HH TYR 58 HH TYR 58 -0.847 -5.458 -3.229 342 H VAL 59 H VAL 59 2.959 -12.154 -1.965 343 HA VAL 59 HA VAL 59 4.341 -14.378 -3.404 344 HB VAL 59 HB VAL 59 5.591 -13.203 -1.547 345 1HG1 VAL 59 1HG1 VAL 59 3.385 -13.104 -0.144 346 2HG1 VAL 59 2HG1 VAL 59 3.812 -14.749 0.330 347 3HG1 VAL 59 3HG1 VAL 59 4.906 -13.414 0.690 348 1HG2 VAL 59 1HG2 VAL 59 5.877 -15.641 -2.371 349 2HG2 VAL 59 2HG2 VAL 59 6.578 -15.222 -0.808 350 3HG2 VAL 59 3HG2 VAL 59 5.049 -16.097 -0.883 351 H LEU 60 H LEU 60 1.597 -13.616 -1.297 352 HA LEU 60 HA LEU 60 0.989 -16.522 -1.109 353 1HB LEU 60 1HB LEU 60 0.690 -14.409 0.684 354 2HB LEU 60 2HB LEU 60 -0.949 -14.712 0.109 355 HG LEU 60 HG LEU 60 0.336 -17.232 0.576 356 1HD1 LEU 60 1HD1 LEU 60 0.424 -15.285 2.902 357 2HD1 LEU 60 2HD1 LEU 60 0.706 -17.023 3.017 358 3HD1 LEU 60 3HD1 LEU 60 1.823 -16.007 2.105 359 1HD2 LEU 60 1HD2 LEU 60 -2.106 -15.783 1.184 360 2HD2 LEU 60 2HD2 LEU 60 -1.859 -17.522 1.020 361 3HD2 LEU 60 3HD2 LEU 60 -1.579 -16.732 2.573 362 HA PRO 61 HA PRO 61 -1.996 -16.158 -4.318 363 1HB PRO 61 1HB PRO 61 -3.403 -18.453 -3.760 364 2HB PRO 61 2HB PRO 61 -1.817 -18.445 -4.551 365 1HG PRO 61 1HG PRO 61 -2.510 -19.181 -1.744 366 2HG PRO 61 2HG PRO 61 -1.159 -19.733 -2.746 367 1HD PRO 61 1HD PRO 61 -1.012 -17.784 -0.705 368 2HD PRO 61 2HD PRO 61 0.228 -18.095 -1.938 369 H GLY 62 H GLY 62 -3.672 -14.714 -4.194 370 1HA GLY 62 1HA GLY 62 -6.173 -15.106 -3.110 371 2HA GLY 62 2HA GLY 62 -5.256 -14.435 -1.759 372 H ARG 63 H ARG 63 -6.800 -12.587 -1.978 373 HA ARG 63 HA ARG 63 -6.139 -10.822 -4.291 374 1HB ARG 63 1HB ARG 63 -8.570 -11.452 -3.747 375 2HB ARG 63 2HB ARG 63 -8.398 -10.407 -2.335 376 1HG ARG 63 1HG ARG 63 -7.419 -9.175 -4.815 377 2HG ARG 63 2HG ARG 63 -9.142 -9.554 -4.854 378 1HD ARG 63 1HD ARG 63 -8.161 -8.328 -2.340 379 2HD ARG 63 2HD ARG 63 -8.141 -7.279 -3.757 380 HE ARG 63 HE ARG 63 -10.580 -8.574 -2.631 381 1HH1 ARG 63 1HH1 ARG 63 -9.872 -7.540 -5.631 382 2HH1 ARG 63 2HH1 ARG 63 -10.918 -6.161 -5.650 383 1HH2 ARG 63 1HH2 ARG 63 -11.560 -6.268 -2.244 384 2HH2 ARG 63 2HH2 ARG 63 -11.876 -5.441 -3.732 385 H TYR 64 H TYR 64 -4.977 -9.000 -3.928 386 HA TYR 64 HA TYR 64 -4.519 -8.175 -1.086 387 1HB TYR 64 1HB TYR 64 -2.799 -7.870 -3.559 388 2HB TYR 64 2HB TYR 64 -2.452 -7.065 -2.035 389 HD1 TYR 64 HD1 TYR 64 -2.856 -10.400 -3.642 390 HD2 TYR 64 HD2 TYR 64 -1.386 -8.214 -0.244 391 HE1 TYR 64 HE1 TYR 64 -1.635 -12.412 -2.869 392 HE2 TYR 64 HE2 TYR 64 -0.162 -10.226 0.520 393 HH TYR 64 HH TYR 64 0.395 -12.309 0.065 394 H HIS 65 H HIS 65 -4.267 -5.798 -0.784 395 HA HIS 65 HA HIS 65 -5.868 -4.260 -2.791 396 1HB HIS 65 1HB HIS 65 -7.039 -4.428 -0.644 397 2HB HIS 65 2HB HIS 65 -5.614 -3.822 0.201 398 HD1 HIS 65 HD1 HIS 65 -7.606 -2.614 -2.836 399 HD2 HIS 65 HD2 HIS 65 -5.961 -1.135 0.697 400 HE1 HIS 65 HE1 HIS 65 -8.106 -0.131 -2.800 401 H VAL 66 H VAL 66 -4.689 -2.765 -3.853 402 HA VAL 66 HA VAL 66 -2.087 -1.900 -2.690 403 HB VAL 66 HB VAL 66 -3.173 -1.648 -5.509 404 1HG1 VAL 66 1HG1 VAL 66 -0.470 -1.001 -4.283 405 2HG1 VAL 66 2HG1 VAL 66 -0.768 -1.095 -6.022 406 3HG1 VAL 66 3HG1 VAL 66 -1.588 0.130 -5.055 407 1HG2 VAL 66 1HG2 VAL 66 -1.423 -3.635 -4.111 408 2HG2 VAL 66 2HG2 VAL 66 -2.723 -3.918 -5.268 409 3HG2 VAL 66 3HG2 VAL 66 -1.164 -3.307 -5.825 410 H THR 67 H THR 67 -1.556 0.349 -2.654 411 HA THR 67 HA THR 67 -3.656 2.310 -3.326 412 HB THR 67 HB THR 67 -4.207 2.932 -1.209 413 HG1 THR 67 HG1 THR 67 -2.583 3.873 -0.306 414 1HG2 THR 67 1HG2 THR 67 -2.768 0.358 -0.504 415 2HG2 THR 67 2HG2 THR 67 -3.967 1.173 0.502 416 3HG2 THR 67 3HG2 THR 67 -4.440 0.487 -1.051 417 H ALA 68 H ALA 68 -2.724 4.551 -3.313 418 HA ALA 68 HA ALA 68 0.219 4.669 -3.000 419 1HB ALA 68 1HB ALA 68 -0.721 4.067 -5.482 420 2HB ALA 68 2HB ALA 68 -0.691 5.828 -5.562 421 3HB ALA 68 3HB ALA 68 0.784 4.936 -5.187 422 H VAL 69 H VAL 69 1.058 6.837 -3.018 423 HA VAL 69 HA VAL 69 -0.876 9.073 -3.012 424 HB VAL 69 HB VAL 69 0.921 9.365 -0.776 425 1HG1 VAL 69 1HG1 VAL 69 -1.966 9.548 -1.404 426 2HG1 VAL 69 2HG1 VAL 69 -1.578 9.241 0.288 427 3HG1 VAL 69 3HG1 VAL 69 -0.932 10.670 -0.520 428 1HG2 VAL 69 1HG2 VAL 69 -0.763 6.850 -0.837 429 2HG2 VAL 69 2HG2 VAL 69 0.970 6.981 -0.526 430 3HG2 VAL 69 3HG2 VAL 69 -0.189 7.584 0.659 431 H LEU 70 H LEU 70 0.199 10.211 -4.648 432 HA LEU 70 HA LEU 70 3.148 10.257 -4.617 433 1HB LEU 70 1HB LEU 70 1.889 12.080 -6.511 434 2HB LEU 70 2HB LEU 70 3.041 10.785 -6.808 435 HG LEU 70 HG LEU 70 0.047 10.463 -6.459 436 1HD1 LEU 70 1HD1 LEU 70 1.121 11.550 -8.561 437 2HD1 LEU 70 2HD1 LEU 70 1.678 9.916 -8.923 438 3HD1 LEU 70 3HD1 LEU 70 -0.050 10.251 -8.792 439 1HD2 LEU 70 1HD2 LEU 70 2.305 8.503 -6.900 440 2HD2 LEU 70 2HD2 LEU 70 0.992 8.411 -5.725 441 3HD2 LEU 70 3HD2 LEU 70 0.662 8.143 -7.439 442 H ALA 71 H ALA 71 4.378 12.193 -4.414 443 HA ALA 71 HA ALA 71 2.845 14.513 -3.325 444 1HB ALA 71 1HB ALA 71 5.438 13.376 -2.261 445 2HB ALA 71 2HB ALA 71 4.763 14.937 -1.790 446 3HB ALA 71 3HB ALA 71 3.887 13.448 -1.421 447 H LEU 72 H LEU 72 3.139 16.158 -4.638 448 HA LEU 72 HA LEU 72 5.666 16.368 -6.204 449 1HB LEU 72 1HB LEU 72 2.948 17.639 -6.570 450 2HB LEU 72 2HB LEU 72 4.340 17.962 -7.605 451 HG LEU 72 HG LEU 72 4.353 15.272 -7.725 452 1HD1 LEU 72 1HD1 LEU 72 1.478 16.081 -7.213 453 2HD1 LEU 72 2HD1 LEU 72 1.942 14.554 -7.963 454 3HD1 LEU 72 3HD1 LEU 72 2.433 14.907 -6.307 455 1HD2 LEU 72 1HD2 LEU 72 3.993 17.210 -9.499 456 2HD2 LEU 72 2HD2 LEU 72 3.588 15.542 -9.904 457 3HD2 LEU 72 3HD2 LEU 72 2.316 16.668 -9.426 458 H GLY 73 H GLY 73 3.988 17.678 -3.574 459 1HA GLY 73 1HA GLY 73 5.350 19.267 -2.167 460 2HA GLY 73 2HA GLY 73 5.651 20.163 -3.661 461 H ALA 74 H ALA 74 3.341 20.428 -4.887 462 HA ALA 74 HA ALA 74 1.523 21.677 -2.871 463 1HB ALA 74 1HB ALA 74 2.828 22.914 -4.955 464 2HB ALA 74 2HB ALA 74 1.252 22.557 -5.660 465 3HB ALA 74 3HB ALA 74 1.361 23.518 -4.186 466 H GLY 75 H GLY 75 1.796 19.142 -5.067 467 1HA GLY 75 1HA GLY 75 -1.164 18.818 -5.092 468 2HA GLY 75 2HA GLY 75 -0.261 18.620 -6.593 469 H SER 76 H SER 76 -1.795 16.533 -5.453 470 HA SER 76 HA SER 76 0.326 14.501 -5.100 471 1HB SER 76 1HB SER 76 -0.298 13.801 -2.978 472 2HB SER 76 2HB SER 76 -0.623 15.524 -2.826 473 HG SER 76 HG SER 76 -2.401 14.266 -2.148 474 H ALA 77 H ALA 77 -0.752 12.253 -5.069 475 HA ALA 77 HA ALA 77 -3.395 12.227 -6.417 476 1HB ALA 77 1HB ALA 77 -0.872 11.811 -7.750 477 2HB ALA 77 2HB ALA 77 -1.818 10.320 -7.784 478 3HB ALA 77 3HB ALA 77 -2.498 11.811 -8.438 479 H LEU 78 H LEU 78 -4.613 10.639 -5.502 480 HA LEU 78 HA LEU 78 -3.242 8.650 -3.792 481 1HB LEU 78 1HB LEU 78 -5.573 10.133 -3.485 482 2HB LEU 78 2HB LEU 78 -6.152 8.509 -3.860 483 HG LEU 78 HG LEU 78 -4.089 8.012 -2.095 484 1HD1 LEU 78 1HD1 LEU 78 -4.265 10.632 -1.778 485 2HD1 LEU 78 2HD1 LEU 78 -5.662 10.205 -0.791 486 3HD1 LEU 78 3HD1 LEU 78 -4.067 9.579 -0.378 487 1HD2 LEU 78 1HD2 LEU 78 -7.075 8.293 -1.795 488 2HD2 LEU 78 2HD2 LEU 78 -6.111 6.819 -1.887 489 3HD2 LEU 78 3HD2 LEU 78 -6.074 7.806 -0.426 490 H LEU 79 H LEU 79 -3.672 6.403 -3.954 491 HA LEU 79 HA LEU 79 -4.969 5.511 -6.475 492 1HB LEU 79 1HB LEU 79 -2.213 5.536 -6.057 493 2HB LEU 79 2HB LEU 79 -2.676 3.879 -5.685 494 HG LEU 79 HG LEU 79 -2.158 4.798 -8.191 495 1HD1 LEU 79 1HD1 LEU 79 -4.038 2.605 -7.314 496 2HD1 LEU 79 2HD1 LEU 79 -3.386 2.753 -8.945 497 3HD1 LEU 79 3HD1 LEU 79 -2.301 2.472 -7.585 498 1HD2 LEU 79 1HD2 LEU 79 -4.214 6.251 -8.031 499 2HD2 LEU 79 2HD2 LEU 79 -4.214 5.128 -9.393 500 3HD2 LEU 79 3HD2 LEU 79 -5.171 4.769 -7.954 501 H GLY 80 H GLY 80 -5.641 3.257 -6.392 502 1HA GLY 80 1HA GLY 80 -5.510 1.762 -3.916 503 2HA GLY 80 2HA GLY 80 -7.084 2.515 -4.143 504 H THR 81 H THR 81 -4.853 0.109 -5.449 505 HA THR 81 HA THR 81 -7.044 -0.843 -7.255 506 HB THR 81 HB THR 81 -5.487 -1.327 -8.831 507 HG1 THR 81 HG1 THR 81 -3.323 -2.019 -7.379 508 1HG2 THR 81 1HG2 THR 81 -4.744 0.926 -8.041 509 2HG2 THR 81 2HG2 THR 81 -3.574 0.129 -6.989 510 3HG2 THR 81 3HG2 THR 81 -3.437 -0.031 -8.741 511 H ASP 82 H ASP 82 -6.376 -3.426 -7.663 512 HA ASP 82 HA ASP 82 -5.890 -4.779 -5.084 513 1HB ASP 82 1HB ASP 82 -8.509 -4.869 -6.597 514 2HB ASP 82 2HB ASP 82 -8.001 -6.201 -5.560 515 H VAL 83 H VAL 83 -5.223 -7.018 -5.461 516 HA VAL 83 HA VAL 83 -5.033 -7.732 -8.354 517 HB VAL 83 HB VAL 83 -2.797 -7.475 -8.264 518 1HG1 VAL 83 1HG1 VAL 83 -3.470 -6.261 -5.880 519 2HG1 VAL 83 2HG1 VAL 83 -2.349 -7.527 -5.355 520 3HG1 VAL 83 3HG1 VAL 83 -1.846 -6.332 -6.548 521 1HG2 VAL 83 1HG2 VAL 83 -3.013 -9.929 -7.779 522 2HG2 VAL 83 2HG2 VAL 83 -1.522 -9.213 -7.167 523 3HG2 VAL 83 3HG2 VAL 83 -2.857 -9.544 -6.063 524 H GLN 84 H GLN 84 -5.433 -9.861 -8.810 525 HA GLN 84 HA GLN 84 -6.199 -11.591 -6.509 526 1HB GLN 84 1HB GLN 84 -7.378 -11.071 -9.040 527 2HB GLN 84 2HB GLN 84 -6.814 -12.739 -9.078 528 1HG GLN 84 1HG GLN 84 -8.422 -13.410 -7.645 529 2HG GLN 84 2HG GLN 84 -8.073 -12.087 -6.532 530 1HE2 GLN 84 2HE2 GLN 84 -10.755 -13.088 -7.471 531 2HE2 GLN 84 1HE2 GLN 84 -11.518 -11.742 -8.168 532 H VAL 85 H VAL 85 -3.939 -12.121 -6.032 533 HA VAL 85 HA VAL 85 -2.262 -13.351 -8.040 534 HB VAL 85 HB VAL 85 -2.110 -13.262 -5.019 535 1HG1 VAL 85 1HG1 VAL 85 -0.701 -14.976 -6.890 536 2HG1 VAL 85 2HG1 VAL 85 0.422 -13.870 -6.098 537 3HG1 VAL 85 3HG1 VAL 85 -0.598 -14.934 -5.130 538 1HG2 VAL 85 1HG2 VAL 85 -1.399 -11.493 -7.179 539 2HG2 VAL 85 2HG2 VAL 85 -1.249 -11.224 -5.442 540 3HG2 VAL 85 3HG2 VAL 85 0.063 -11.999 -6.332 541 H GLU 86 H GLU 86 -2.116 -15.483 -8.613 542 HA GLU 86 HA GLU 86 -3.927 -17.381 -7.171 543 1HB GLU 86 1HB GLU 86 -2.827 -17.935 -9.907 544 2HB GLU 86 2HB GLU 86 -4.348 -18.464 -9.190 545 1HG GLU 86 1HG GLU 86 -5.269 -16.805 -10.439 546 2HG GLU 86 2HG GLU 86 -4.660 -15.739 -9.174 547 H ALA 87 H ALA 87 -3.034 -19.784 -7.701 548 HA ALA 87 HA ALA 87 -0.087 -19.805 -7.236 549 1HB ALA 87 1HB ALA 87 -2.257 -20.954 -5.521 550 2HB ALA 87 2HB ALA 87 -0.741 -21.844 -5.660 551 3HB ALA 87 3HB ALA 87 -0.740 -20.193 -5.043 Start of MODEL 6 1 H ALA 8 H ALA 8 -4.049 9.592 -8.613 2 HA ALA 8 HA ALA 8 -3.909 10.245 -11.515 3 1HB ALA 8 1HB ALA 8 -2.020 8.936 -9.557 4 2HB ALA 8 2HB ALA 8 -1.819 8.693 -11.294 5 3HB ALA 8 3HB ALA 8 -1.738 10.317 -10.617 6 H THR 9 H THR 9 -3.738 8.367 -13.028 7 HA THR 9 HA THR 9 -5.826 6.429 -12.461 8 HB THR 9 HB THR 9 -5.043 7.491 -14.755 9 HG1 THR 9 HG1 THR 9 -6.634 6.228 -15.200 10 1HG2 THR 9 1HG2 THR 9 -2.750 6.314 -14.374 11 2HG2 THR 9 2HG2 THR 9 -3.595 4.866 -14.921 12 3HG2 THR 9 3HG2 THR 9 -3.470 6.268 -15.982 13 H LEU 10 H LEU 10 -5.496 4.110 -12.462 14 HA LEU 10 HA LEU 10 -2.939 3.405 -11.142 15 1HB LEU 10 1HB LEU 10 -4.625 1.123 -11.230 16 2HB LEU 10 2HB LEU 10 -4.165 2.071 -9.835 17 HG LEU 10 HG LEU 10 -6.556 1.936 -9.883 18 1HD1 LEU 10 1HD1 LEU 10 -5.188 4.445 -10.186 19 2HD1 LEU 10 2HD1 LEU 10 -6.820 4.569 -10.839 20 3HD1 LEU 10 3HD1 LEU 10 -6.569 4.046 -9.171 21 1HD2 LEU 10 1HD2 LEU 10 -6.151 2.158 -12.747 22 2HD2 LEU 10 2HD2 LEU 10 -7.549 1.558 -11.857 23 3HD2 LEU 10 3HD2 LEU 10 -7.392 3.282 -12.190 24 H VAL 11 H VAL 11 -1.568 3.208 -12.956 25 HA VAL 11 HA VAL 11 -2.342 1.203 -15.006 26 HB VAL 11 HB VAL 11 0.193 2.856 -14.822 27 1HG1 VAL 11 1HG1 VAL 11 -0.869 0.785 -16.617 28 2HG1 VAL 11 2HG1 VAL 11 -0.406 2.258 -17.470 29 3HG1 VAL 11 3HG1 VAL 11 0.776 1.407 -16.474 30 1HG2 VAL 11 1HG2 VAL 11 -2.540 3.431 -15.940 31 2HG2 VAL 11 2HG2 VAL 11 -1.434 4.514 -15.097 32 3HG2 VAL 11 3HG2 VAL 11 -1.125 4.068 -16.777 33 H GLY 12 H GLY 12 -2.156 -0.762 -13.875 34 1HA GLY 12 1HA GLY 12 0.519 -1.297 -12.654 35 2HA GLY 12 2HA GLY 12 -0.974 -2.062 -12.117 36 HA PRO 13 HA PRO 13 0.167 -4.025 -16.373 37 1HB PRO 13 1HB PRO 13 2.700 -3.466 -17.286 38 2HB PRO 13 2HB PRO 13 1.256 -2.552 -17.752 39 1HG PRO 13 1HG PRO 13 3.418 -1.799 -15.825 40 2HG PRO 13 2HG PRO 13 2.417 -0.758 -16.852 41 1HD PRO 13 1HD PRO 13 2.008 -1.145 -14.114 42 2HD PRO 13 2HD PRO 13 0.783 -0.553 -15.252 43 H HIS 14 H HIS 14 1.112 -6.052 -16.611 44 HA HIS 14 HA HIS 14 3.474 -7.127 -15.701 45 1HB HIS 14 1HB HIS 14 3.077 -6.450 -13.428 46 2HB HIS 14 2HB HIS 14 1.423 -7.058 -13.479 47 HD1 HIS 14 HD1 HIS 14 5.010 -8.275 -13.505 48 HD2 HIS 14 HD2 HIS 14 1.173 -9.791 -12.916 49 HE1 HIS 14 HE1 HIS 14 5.298 -10.652 -12.685 50 H GLY 15 H GLY 15 0.011 -7.595 -15.678 51 1HA GLY 15 1HA GLY 15 -1.056 -9.255 -17.123 52 2HA GLY 15 2HA GLY 15 0.401 -10.245 -16.984 53 HA PRO 16 HA PRO 16 -2.278 -12.088 -13.848 54 1HB PRO 16 1HB PRO 16 -1.085 -14.552 -14.003 55 2HB PRO 16 2HB PRO 16 -2.384 -14.026 -15.090 56 1HG PRO 16 1HG PRO 16 0.537 -14.292 -15.650 57 2HG PRO 16 2HG PRO 16 -0.833 -14.398 -16.768 58 1HD PRO 16 1HD PRO 16 0.868 -12.160 -16.455 59 2HD PRO 16 2HD PRO 16 -0.701 -12.165 -17.291 60 H LEU 17 H LEU 17 -1.761 -12.522 -11.649 61 HA LEU 17 HA LEU 17 1.127 -12.165 -10.972 62 1HB LEU 17 1HB LEU 17 -1.399 -11.175 -9.716 63 2HB LEU 17 2HB LEU 17 -0.024 -11.515 -8.666 64 HG LEU 17 HG LEU 17 0.249 -9.832 -11.161 65 1HD1 LEU 17 1HD1 LEU 17 -0.704 -9.092 -8.413 66 2HD1 LEU 17 2HD1 LEU 17 0.280 -7.945 -9.320 67 3HD1 LEU 17 3HD1 LEU 17 -1.256 -8.502 -9.980 68 1HD2 LEU 17 1HD2 LEU 17 2.238 -10.909 -9.916 69 2HD2 LEU 17 2HD2 LEU 17 2.326 -9.173 -10.212 70 3HD2 LEU 17 3HD2 LEU 17 1.878 -9.776 -8.616 71 H ALA 18 H ALA 18 1.515 -14.465 -11.097 72 HA ALA 18 HA ALA 18 -0.006 -16.330 -9.480 73 1HB ALA 18 1HB ALA 18 1.906 -16.561 -11.482 74 2HB ALA 18 2HB ALA 18 2.768 -17.097 -10.040 75 3HB ALA 18 3HB ALA 18 1.268 -17.894 -10.519 76 H SER 19 H SER 19 0.938 -17.451 -7.561 77 HA SER 19 HA SER 19 1.727 -15.666 -5.532 78 1HB SER 19 1HB SER 19 0.952 -17.689 -4.689 79 2HB SER 19 2HB SER 19 1.866 -18.642 -5.854 80 HG SER 19 HG SER 19 3.233 -17.039 -3.997 81 H GLY 20 H GLY 20 3.605 -14.612 -5.213 82 1HA GLY 20 1HA GLY 20 5.973 -14.381 -5.009 83 2HA GLY 20 2HA GLY 20 6.168 -15.931 -5.832 84 H GLN 21 H GLN 21 4.445 -12.954 -6.787 85 HA GLN 21 HA GLN 21 6.180 -12.905 -9.227 86 1HB GLN 21 1HB GLN 21 3.215 -12.720 -8.936 87 2HB GLN 21 2HB GLN 21 3.980 -11.731 -10.181 88 1HG GLN 21 1HG GLN 21 4.232 -14.738 -9.866 89 2HG GLN 21 2HG GLN 21 3.362 -13.885 -11.141 90 1HE2 GLN 21 2HE2 GLN 21 6.473 -15.067 -10.175 91 2HE2 GLN 21 1HE2 GLN 21 7.357 -14.419 -11.472 92 H LEU 22 H LEU 22 6.692 -10.847 -10.066 93 HA LEU 22 HA LEU 22 6.379 -8.618 -8.107 94 1HB LEU 22 1HB LEU 22 8.707 -9.499 -8.805 95 2HB LEU 22 2HB LEU 22 8.386 -8.744 -10.363 96 HG LEU 22 HG LEU 22 9.679 -7.302 -8.727 97 1HD1 LEU 22 1HD1 LEU 22 7.965 -6.543 -10.633 98 2HD1 LEU 22 2HD1 LEU 22 7.083 -5.916 -9.242 99 3HD1 LEU 22 3HD1 LEU 22 8.727 -5.370 -9.562 100 1HD2 LEU 22 1HD2 LEU 22 7.688 -8.139 -6.960 101 2HD2 LEU 22 2HD2 LEU 22 8.875 -6.869 -6.665 102 3HD2 LEU 22 3HD2 LEU 22 7.283 -6.455 -7.299 103 H ALA 23 H ALA 23 4.374 -7.800 -8.883 104 HA ALA 23 HA ALA 23 3.987 -7.259 -11.726 105 1HB ALA 23 1HB ALA 23 2.433 -6.924 -9.233 106 2HB ALA 23 2HB ALA 23 2.149 -5.683 -10.453 107 3HB ALA 23 3HB ALA 23 1.883 -7.382 -10.845 108 H ALA 24 H ALA 24 3.884 -5.020 -12.620 109 HA ALA 24 HA ALA 24 5.526 -3.146 -10.956 110 1HB ALA 24 1HB ALA 24 5.572 -3.601 -13.949 111 2HB ALA 24 2HB ALA 24 6.381 -2.252 -13.148 112 3HB ALA 24 3HB ALA 24 6.878 -3.911 -12.798 113 H PHE 25 H PHE 25 4.381 -1.383 -10.396 114 HA PHE 25 HA PHE 25 1.974 -0.705 -12.015 115 1HB PHE 25 1HB PHE 25 2.725 -0.134 -9.144 116 2HB PHE 25 2HB PHE 25 1.351 0.606 -9.944 117 HD1 PHE 25 HD1 PHE 25 2.778 -2.892 -9.738 118 HD2 PHE 25 HD2 PHE 25 -0.667 -0.304 -9.397 119 HE1 PHE 25 HE1 PHE 25 1.351 -4.844 -9.177 120 HE2 PHE 25 HE2 PHE 25 -2.078 -2.278 -8.848 121 HZ PHE 25 HZ PHE 25 -1.071 -4.541 -8.733 122 H HIS 26 H HIS 26 1.386 1.648 -11.901 123 HA HIS 26 HA HIS 26 3.359 3.666 -11.453 124 1HB HIS 26 1HB HIS 26 4.284 4.043 -13.492 125 2HB HIS 26 2HB HIS 26 3.829 2.381 -13.834 126 HD1 HIS 26 HD1 HIS 26 2.788 2.254 -16.076 127 HD2 HIS 26 HD2 HIS 26 1.753 5.775 -14.127 128 HE1 HIS 26 HE1 HIS 26 1.287 3.535 -17.663 129 H ILE 27 H ILE 27 2.238 5.595 -11.217 130 HA ILE 27 HA ILE 27 -0.674 5.438 -11.811 131 HB ILE 27 HB ILE 27 0.248 7.738 -10.214 132 1HG1 ILE 27 1HG1 ILE 27 1.627 5.407 -9.633 133 2HG1 ILE 27 2HG1 ILE 27 1.285 6.685 -8.476 134 1HG2 ILE 27 1HG2 ILE 27 -1.778 5.515 -9.842 135 2HG2 ILE 27 2HG2 ILE 27 -1.596 6.882 -8.741 136 3HG2 ILE 27 3HG2 ILE 27 -2.106 7.149 -10.413 137 1HD1 ILE 27 1HD1 ILE 27 -0.535 4.313 -9.018 138 2HD1 ILE 27 2HD1 ILE 27 0.583 4.441 -7.658 139 3HD1 ILE 27 3HD1 ILE 27 -0.767 5.564 -7.788 140 H ALA 28 H ALA 28 -1.726 7.206 -12.931 141 HA ALA 28 HA ALA 28 0.229 9.004 -14.341 142 1HB ALA 28 1HB ALA 28 -0.994 6.947 -15.568 143 2HB ALA 28 2HB ALA 28 -2.224 8.193 -15.792 144 3HB ALA 28 3HB ALA 28 -0.587 8.451 -16.396 145 H ALA 29 H ALA 29 -0.227 11.118 -14.199 146 HA ALA 29 HA ALA 29 -2.620 12.414 -14.695 147 1HB ALA 29 1HB ALA 29 -2.563 11.300 -11.967 148 2HB ALA 29 2HB ALA 29 -2.973 13.012 -12.045 149 3HB ALA 29 3HB ALA 29 -3.934 11.834 -12.937 150 HA PRO 30 HA PRO 30 0.088 15.554 -12.438 151 1HB PRO 30 1HB PRO 30 1.820 14.691 -10.486 152 2HB PRO 30 2HB PRO 30 0.140 15.154 -10.164 153 1HG PRO 30 1HG PRO 30 1.348 12.431 -10.277 154 2HG PRO 30 2HG PRO 30 -0.070 12.994 -9.378 155 1HD PRO 30 1HD PRO 30 -0.121 11.525 -11.789 156 2HD PRO 30 2HD PRO 30 -1.487 12.398 -11.062 157 H LEU 31 H LEU 31 0.963 15.101 -14.643 158 HA LEU 31 HA LEU 31 2.978 13.532 -15.526 159 1HB LEU 31 1HB LEU 31 2.003 16.096 -16.248 160 2HB LEU 31 2HB LEU 31 3.765 16.173 -16.301 161 HG LEU 31 HG LEU 31 3.687 13.978 -17.601 162 1HD1 LEU 31 1HD1 LEU 31 0.805 14.557 -17.228 163 2HD1 LEU 31 2HD1 LEU 31 1.274 14.064 -18.856 164 3HD1 LEU 31 3HD1 LEU 31 1.620 13.013 -17.484 165 1HD2 LEU 31 1HD2 LEU 31 2.833 16.674 -18.526 166 2HD2 LEU 31 2HD2 LEU 31 4.213 15.698 -19.029 167 3HD2 LEU 31 3HD2 LEU 31 2.606 15.345 -19.663 168 HA PRO 32 HA PRO 32 6.543 15.985 -13.542 169 1HB PRO 32 1HB PRO 32 5.930 18.065 -11.858 170 2HB PRO 32 2HB PRO 32 6.149 18.247 -13.606 171 1HG PRO 32 1HG PRO 32 3.627 18.278 -12.020 172 2HG PRO 32 2HG PRO 32 3.980 19.035 -13.582 173 1HD PRO 32 1HD PRO 32 2.531 16.633 -13.180 174 2HD PRO 32 2HD PRO 32 3.143 17.244 -14.731 175 H VAL 33 H VAL 33 5.929 13.751 -12.368 176 HA VAL 33 HA VAL 33 5.402 14.213 -9.472 177 HB VAL 33 HB VAL 33 5.466 11.696 -11.153 178 1HG1 VAL 33 1HG1 VAL 33 5.243 12.043 -8.150 179 2HG1 VAL 33 2HG1 VAL 33 4.819 10.557 -8.998 180 3HG1 VAL 33 3HG1 VAL 33 6.481 11.143 -9.024 181 1HG2 VAL 33 1HG2 VAL 33 3.441 13.549 -10.343 182 2HG2 VAL 33 2HG2 VAL 33 3.252 12.066 -11.280 183 3HG2 VAL 33 3HG2 VAL 33 3.151 12.017 -9.520 184 H THR 34 H THR 34 6.920 13.532 -7.890 185 HA THR 34 HA THR 34 9.652 12.958 -8.956 186 HB THR 34 HB THR 34 10.466 14.113 -6.852 187 HG1 THR 34 HG1 THR 34 8.757 14.185 -5.543 188 1HG2 THR 34 1HG2 THR 34 8.850 15.605 -8.926 189 2HG2 THR 34 2HG2 THR 34 9.838 16.430 -7.721 190 3HG2 THR 34 3HG2 THR 34 10.594 15.349 -8.892 191 H ALA 35 H ALA 35 7.250 12.160 -6.568 192 HA ALA 35 HA ALA 35 8.568 9.594 -6.093 193 1HB ALA 35 1HB ALA 35 8.931 11.830 -4.277 194 2HB ALA 35 2HB ALA 35 8.123 10.486 -3.472 195 3HB ALA 35 3HB ALA 35 9.688 10.237 -4.246 196 H THR 36 H THR 36 7.132 8.077 -5.289 197 HA THR 36 HA THR 36 4.370 9.034 -4.653 198 HB THR 36 HB THR 36 4.246 8.187 -6.906 199 HG1 THR 36 HG1 THR 36 3.528 5.963 -5.348 200 1HG2 THR 36 1HG2 THR 36 6.472 6.962 -6.684 201 2HG2 THR 36 2HG2 THR 36 5.559 5.643 -5.957 202 3HG2 THR 36 3HG2 THR 36 5.226 6.135 -7.617 203 H ARG 37 H ARG 37 3.241 7.651 -3.165 204 HA ARG 37 HA ARG 37 5.002 5.643 -1.833 205 1HB ARG 37 1HB ARG 37 3.777 7.967 -0.719 206 2HB ARG 37 2HB ARG 37 2.965 6.554 -0.041 207 1HG ARG 37 1HG ARG 37 5.161 5.587 0.561 208 2HG ARG 37 2HG ARG 37 5.964 7.015 -0.090 209 1HD ARG 37 1HD ARG 37 5.822 7.511 2.199 210 2HD ARG 37 2HD ARG 37 4.409 8.333 1.540 211 HE ARG 37 HE ARG 37 3.250 6.034 2.209 212 1HH1 ARG 37 1HH2 ARG 37 3.123 8.202 4.229 213 2HH1 ARG 37 2HH2 ARG 37 3.825 7.460 5.628 214 1HH2 ARG 37 1HH1 ARG 37 5.291 4.872 3.846 215 2HH2 ARG 37 2HH1 ARG 37 5.052 5.573 5.411 216 H TRP 38 H TRP 38 4.207 3.736 -2.590 217 HA TRP 38 HA TRP 38 1.295 3.389 -2.976 218 1HB TRP 38 1HB TRP 38 3.553 1.418 -3.361 219 2HB TRP 38 2HB TRP 38 1.878 1.170 -3.826 220 HD1 TRP 38 HD1 TRP 38 4.681 3.746 -4.548 221 HE1 TRP 38 HE1 TRP 38 4.512 4.381 -7.043 222 HE3 TRP 38 HE3 TRP 38 0.550 1.062 -5.871 223 HZ2 TRP 38 HZ2 TRP 38 2.854 3.829 -9.292 224 HZ3 TRP 38 HZ3 TRP 38 -0.310 1.140 -8.192 225 HH2 TRP 38 HH2 TRP 38 0.838 2.520 -9.903 226 H ASP 39 H ASP 39 0.631 1.038 -2.253 227 HA ASP 39 HA ASP 39 1.731 0.266 0.350 228 1HB ASP 39 1HB ASP 39 -0.748 1.798 0.087 229 2HB ASP 39 2HB ASP 39 -1.021 0.234 0.856 230 H PHE 40 H PHE 40 2.186 -1.778 -0.422 231 HA PHE 40 HA PHE 40 0.290 -3.108 -2.207 232 1HB PHE 40 1HB PHE 40 2.642 -4.420 -0.842 233 2HB PHE 40 2HB PHE 40 1.845 -4.892 -2.339 234 HD1 PHE 40 HD1 PHE 40 1.629 -1.751 -3.134 235 HD2 PHE 40 HD2 PHE 40 4.804 -4.461 -2.090 236 HE1 PHE 40 HE1 PHE 40 3.236 -0.394 -4.444 237 HE2 PHE 40 HE2 PHE 40 6.396 -3.096 -3.400 238 HZ PHE 40 HZ PHE 40 5.614 -1.066 -4.578 239 H GLY 41 H GLY 41 1.539 -3.923 1.056 240 1HA GLY 41 1HA GLY 41 0.226 -4.763 2.868 241 2HA GLY 41 2HA GLY 41 -1.154 -4.892 1.775 242 H ASP 42 H ASP 42 1.859 -6.153 0.657 243 HA ASP 42 HA ASP 42 0.799 -8.904 1.011 244 1HB ASP 42 1HB ASP 42 2.705 -9.354 -0.751 245 2HB ASP 42 2HB ASP 42 1.176 -8.666 -1.284 246 H GLY 43 H GLY 43 4.125 -8.532 0.269 247 1HA GLY 43 1HA GLY 43 4.854 -9.525 2.931 248 2HA GLY 43 2HA GLY 43 5.954 -9.323 1.562 249 H SER 44 H SER 44 4.540 -6.552 1.257 250 HA SER 44 HA SER 44 5.848 -5.133 3.517 251 1HB SER 44 1HB SER 44 7.144 -3.767 2.132 252 2HB SER 44 2HB SER 44 7.254 -5.314 1.298 253 HG SER 44 HG SER 44 5.511 -4.606 -0.025 254 H ALA 45 H ALA 45 4.523 -3.525 4.282 255 HA ALA 45 HA ALA 45 1.950 -3.099 2.966 256 1HB ALA 45 1HB ALA 45 3.205 -2.211 5.539 257 2HB ALA 45 2HB ALA 45 1.762 -1.388 4.947 258 3HB ALA 45 3HB ALA 45 1.715 -3.118 5.283 259 H GLU 46 H GLU 46 3.800 -0.517 4.406 260 HA GLU 46 HA GLU 46 3.070 1.460 2.525 261 1HB GLU 46 1HB GLU 46 4.861 2.813 3.502 262 2HB GLU 46 2HB GLU 46 4.016 1.934 4.777 263 1HG GLU 46 1HG GLU 46 6.003 0.161 3.978 264 2HG GLU 46 2HG GLU 46 6.804 1.731 3.922 265 H VAL 47 H VAL 47 4.314 2.466 0.831 266 HA VAL 47 HA VAL 47 6.575 0.843 -0.243 267 HB VAL 47 HB VAL 47 4.192 1.807 -1.855 268 1HG1 VAL 47 1HG1 VAL 47 6.515 1.717 -2.935 269 2HG1 VAL 47 2HG1 VAL 47 6.430 -0.029 -2.712 270 3HG1 VAL 47 3HG1 VAL 47 5.241 0.790 -3.721 271 1HG2 VAL 47 1HG2 VAL 47 4.154 -0.320 -0.198 272 2HG2 VAL 47 2HG2 VAL 47 3.325 -0.312 -1.750 273 3HG2 VAL 47 3HG2 VAL 47 4.908 -1.071 -1.602 274 H ASP 48 H ASP 48 8.245 2.211 -0.633 275 HA ASP 48 HA ASP 48 7.623 5.070 -1.234 276 1HB ASP 48 1HB ASP 48 10.027 3.672 -0.062 277 2HB ASP 48 2HB ASP 48 10.180 5.278 -0.777 278 H ALA 49 H ALA 49 7.731 5.558 -3.391 279 HA ALA 49 HA ALA 49 9.735 4.069 -5.036 280 1HB ALA 49 1HB ALA 49 7.019 3.666 -5.177 281 2HB ALA 49 2HB ALA 49 7.296 4.849 -6.455 282 3HB ALA 49 3HB ALA 49 8.167 3.315 -6.469 283 H ALA 50 H ALA 50 10.178 5.177 -7.142 284 HA ALA 50 HA ALA 50 10.436 8.091 -6.685 285 1HB ALA 50 1HB ALA 50 11.950 6.047 -8.095 286 2HB ALA 50 2HB ALA 50 11.632 7.437 -9.132 287 3HB ALA 50 3HB ALA 50 12.457 7.660 -7.590 288 H GLY 51 H GLY 51 9.782 9.629 -8.310 289 1HA GLY 51 1HA GLY 51 8.092 10.516 -9.684 290 2HA GLY 51 2HA GLY 51 8.550 9.189 -10.754 291 HA PRO 52 HA PRO 52 4.294 8.198 -9.500 292 1HB PRO 52 1HB PRO 52 3.336 8.005 -12.060 293 2HB PRO 52 2HB PRO 52 3.405 9.536 -11.172 294 1HG PRO 52 1HG PRO 52 5.078 8.626 -13.446 295 2HG PRO 52 2HG PRO 52 4.784 10.272 -12.862 296 1HD PRO 52 1HD PRO 52 7.103 8.635 -12.373 297 2HD PRO 52 2HD PRO 52 6.770 10.259 -11.731 298 H ALA 53 H ALA 53 6.641 6.298 -9.773 299 HA ALA 53 HA ALA 53 5.071 4.058 -10.981 300 1HB ALA 53 1HB ALA 53 7.560 5.156 -11.978 301 2HB ALA 53 2HB ALA 53 7.727 3.447 -11.575 302 3HB ALA 53 3HB ALA 53 6.483 3.966 -12.712 303 H ALA 54 H ALA 54 5.552 1.979 -10.209 304 HA ALA 54 HA ALA 54 7.538 1.490 -8.135 305 1HB ALA 54 1HB ALA 54 4.597 1.628 -7.411 306 2HB ALA 54 2HB ALA 54 5.823 0.873 -6.393 307 3HB ALA 54 3HB ALA 54 5.895 2.603 -6.726 308 H SER 55 H SER 55 6.438 -0.807 -7.034 309 HA SER 55 HA SER 55 5.231 -2.436 -9.137 310 1HB SER 55 1HB SER 55 7.006 -3.704 -9.777 311 2HB SER 55 2HB SER 55 7.889 -2.229 -9.398 312 HG SER 55 HG SER 55 8.829 -3.276 -7.846 313 H HIS 56 H HIS 56 4.245 -4.242 -8.292 314 HA HIS 56 HA HIS 56 4.243 -4.421 -5.341 315 1HB HIS 56 1HB HIS 56 2.427 -5.265 -7.549 316 2HB HIS 56 2HB HIS 56 2.372 -6.179 -6.042 317 HD1 HIS 56 HD1 HIS 56 2.480 -2.469 -6.975 318 HD2 HIS 56 HD2 HIS 56 0.627 -5.040 -4.277 319 HE1 HIS 56 HE1 HIS 56 0.938 -1.036 -5.557 320 H ARG 57 H ARG 57 4.999 -6.149 -4.218 321 HA ARG 57 HA ARG 57 6.153 -8.414 -5.793 322 1HB ARG 57 1HB ARG 57 7.560 -8.797 -3.709 323 2HB ARG 57 2HB ARG 57 7.922 -7.312 -4.585 324 1HG ARG 57 1HG ARG 57 5.849 -6.711 -2.723 325 2HG ARG 57 2HG ARG 57 7.090 -7.612 -1.857 326 1HD ARG 57 1HD ARG 57 7.497 -5.141 -1.865 327 2HD ARG 57 2HD ARG 57 8.810 -6.065 -2.593 328 HE ARG 57 HE ARG 57 6.717 -4.872 -4.348 329 1HH1 ARG 57 1HH1 ARG 57 9.687 -6.210 -4.561 330 2HH1 ARG 57 2HH1 ARG 57 10.487 -4.858 -5.288 331 1HH2 ARG 57 1HH2 ARG 57 7.865 -2.662 -4.728 332 2HH2 ARG 57 2HH2 ARG 57 9.457 -2.851 -5.382 333 H TYR 58 H TYR 58 4.134 -9.553 -5.822 334 HA TYR 58 HA TYR 58 2.859 -10.157 -3.233 335 1HB TYR 58 1HB TYR 58 2.200 -10.753 -6.114 336 2HB TYR 58 2HB TYR 58 1.332 -11.547 -4.797 337 HD1 TYR 58 HD1 TYR 58 1.110 -9.578 -2.738 338 HD2 TYR 58 HD2 TYR 58 0.829 -9.023 -6.983 339 HE1 TYR 58 HE1 TYR 58 -0.248 -7.538 -2.382 340 HE2 TYR 58 HE2 TYR 58 -0.519 -6.979 -6.626 341 HH TYR 58 HH TYR 58 -1.069 -5.683 -3.386 342 H VAL 59 H VAL 59 2.988 -12.116 -2.177 343 HA VAL 59 HA VAL 59 4.641 -14.231 -3.487 344 HB VAL 59 HB VAL 59 5.985 -12.996 -1.829 345 1HG1 VAL 59 1HG1 VAL 59 3.826 -12.515 -0.426 346 2HG1 VAL 59 2HG1 VAL 59 4.181 -14.069 0.328 347 3HG1 VAL 59 3HG1 VAL 59 5.356 -12.757 0.417 348 1HG2 VAL 59 1HG2 VAL 59 6.173 -15.519 -2.208 349 2HG2 VAL 59 2HG2 VAL 59 6.825 -14.920 -0.683 350 3HG2 VAL 59 3HG2 VAL 59 5.251 -15.714 -0.717 351 H LEU 60 H LEU 60 1.907 -13.505 -1.355 352 HA LEU 60 HA LEU 60 1.505 -16.419 -0.942 353 1HB LEU 60 1HB LEU 60 1.067 -14.192 0.691 354 2HB LEU 60 2HB LEU 60 -0.547 -14.699 0.194 355 HG LEU 60 HG LEU 60 0.964 -17.046 0.798 356 1HD1 LEU 60 1HD1 LEU 60 1.005 -14.934 2.976 357 2HD1 LEU 60 2HD1 LEU 60 1.452 -16.628 3.185 358 3HD1 LEU 60 3HD1 LEU 60 2.419 -15.583 2.143 359 1HD2 LEU 60 1HD2 LEU 60 -1.582 -16.302 0.997 360 2HD2 LEU 60 2HD2 LEU 60 -0.925 -17.557 2.048 361 3HD2 LEU 60 3HD2 LEU 60 -1.102 -15.908 2.648 362 HA PRO 61 HA PRO 61 -1.547 -16.526 -4.105 363 1HB PRO 61 1HB PRO 61 -2.723 -18.900 -3.366 364 2HB PRO 61 2HB PRO 61 -1.159 -18.799 -4.193 365 1HG PRO 61 1HG PRO 61 -1.733 -19.409 -1.330 366 2HG PRO 61 2HG PRO 61 -0.352 -19.899 -2.327 367 1HD PRO 61 1HD PRO 61 -0.355 -17.814 -0.417 368 2HD PRO 61 2HD PRO 61 0.889 -18.094 -1.654 369 H GLY 62 H GLY 62 -3.303 -15.167 -3.977 370 1HA GLY 62 1HA GLY 62 -5.765 -15.720 -2.884 371 2HA GLY 62 2HA GLY 62 -4.898 -14.979 -1.536 372 H ARG 63 H ARG 63 -6.369 -13.144 -1.639 373 HA ARG 63 HA ARG 63 -6.115 -11.475 -4.088 374 1HB ARG 63 1HB ARG 63 -8.043 -10.285 -3.335 375 2HB ARG 63 2HB ARG 63 -8.384 -11.991 -3.044 376 1HG ARG 63 1HG ARG 63 -8.736 -11.515 -0.876 377 2HG ARG 63 2HG ARG 63 -7.048 -11.030 -0.733 378 1HD ARG 63 1HD ARG 63 -8.451 -8.924 -2.055 379 2HD ARG 63 2HD ARG 63 -9.375 -9.373 -0.622 380 HE ARG 63 HE ARG 63 -6.461 -8.757 -0.431 381 1HH1 ARG 63 1HH2 ARG 63 -8.878 -6.704 -0.340 382 2HH1 ARG 63 2HH2 ARG 63 -8.916 -6.409 1.367 383 1HH2 ARG 63 1HH1 ARG 63 -6.872 -9.102 2.143 384 2HH2 ARG 63 2HH1 ARG 63 -7.779 -7.768 2.774 385 H TYR 64 H TYR 64 -5.840 -9.095 -3.702 386 HA TYR 64 HA TYR 64 -4.388 -8.363 -1.230 387 1HB TYR 64 1HB TYR 64 -3.191 -8.413 -3.998 388 2HB TYR 64 2HB TYR 64 -2.587 -7.313 -2.769 389 HD1 TYR 64 HD1 TYR 64 -1.709 -8.292 -0.556 390 HD2 TYR 64 HD2 TYR 64 -2.598 -10.688 -4.020 391 HE1 TYR 64 HE1 TYR 64 -0.304 -10.125 0.343 392 HE2 TYR 64 HE2 TYR 64 -1.182 -12.508 -3.120 393 HH TYR 64 HH TYR 64 0.594 -12.122 -0.053 394 H HIS 65 H HIS 65 -3.946 -5.938 -1.271 395 HA HIS 65 HA HIS 65 -5.902 -4.508 -3.025 396 1HB HIS 65 1HB HIS 65 -6.907 -4.614 -0.828 397 2HB HIS 65 2HB HIS 65 -5.395 -4.143 -0.056 398 HD1 HIS 65 HD1 HIS 65 -8.404 -2.764 -1.714 399 HD2 HIS 65 HD2 HIS 65 -4.676 -1.355 -0.500 400 HE1 HIS 65 HE1 HIS 65 -8.544 -0.236 -1.760 401 H VAL 66 H VAL 66 -5.147 -2.520 -3.841 402 HA VAL 66 HA VAL 66 -2.345 -1.807 -3.061 403 HB VAL 66 HB VAL 66 -3.610 -1.461 -5.786 404 1HG1 VAL 66 1HG1 VAL 66 -0.852 -1.003 -4.632 405 2HG1 VAL 66 2HG1 VAL 66 -1.118 -1.201 -6.368 406 3HG1 VAL 66 3HG1 VAL 66 -1.877 0.138 -5.509 407 1HG2 VAL 66 1HG2 VAL 66 -1.933 -3.654 -4.583 408 2HG2 VAL 66 2HG2 VAL 66 -3.364 -3.789 -5.602 409 3HG2 VAL 66 3HG2 VAL 66 -1.823 -3.300 -6.306 410 H THR 67 H THR 67 -1.853 0.380 -2.886 411 HA THR 67 HA THR 67 -3.867 2.414 -3.564 412 HB THR 67 HB THR 67 -4.728 2.388 -1.450 413 HG1 THR 67 HG1 THR 67 -3.490 3.680 -0.026 414 1HG2 THR 67 1HG2 THR 67 -2.263 0.803 -0.848 415 2HG2 THR 67 2HG2 THR 67 -3.151 1.520 0.496 416 3HG2 THR 67 3HG2 THR 67 -3.956 0.386 -0.588 417 H ALA 68 H ALA 68 -2.870 4.608 -3.502 418 HA ALA 68 HA ALA 68 0.045 4.650 -2.976 419 1HB ALA 68 1HB ALA 68 -0.639 4.008 -5.490 420 2HB ALA 68 2HB ALA 68 -0.734 5.764 -5.625 421 3HB ALA 68 3HB ALA 68 0.773 5.000 -5.124 422 H VAL 69 H VAL 69 0.948 6.829 -3.094 423 HA VAL 69 HA VAL 69 -0.933 9.083 -3.213 424 HB VAL 69 HB VAL 69 -1.110 8.348 -0.870 425 1HG1 VAL 69 1HG1 VAL 69 1.485 7.554 -1.111 426 2HG1 VAL 69 2HG1 VAL 69 1.681 9.061 -0.217 427 3HG1 VAL 69 3HG1 VAL 69 0.664 7.776 0.433 428 1HG2 VAL 69 1HG2 VAL 69 -0.270 10.924 -1.785 429 2HG2 VAL 69 2HG2 VAL 69 -1.277 10.543 -0.388 430 3HG2 VAL 69 3HG2 VAL 69 0.474 10.637 -0.212 431 H LEU 70 H LEU 70 0.236 10.193 -4.749 432 HA LEU 70 HA LEU 70 3.180 10.195 -4.580 433 1HB LEU 70 1HB LEU 70 2.119 12.016 -6.564 434 2HB LEU 70 2HB LEU 70 3.148 10.607 -6.793 435 HG LEU 70 HG LEU 70 0.137 10.519 -6.468 436 1HD1 LEU 70 1HD1 LEU 70 0.979 11.694 -8.507 437 2HD1 LEU 70 2HD1 LEU 70 1.834 10.217 -8.951 438 3HD1 LEU 70 3HD1 LEU 70 0.072 10.223 -8.867 439 1HD2 LEU 70 1HD2 LEU 70 2.229 8.447 -7.193 440 2HD2 LEU 70 2HD2 LEU 70 1.100 8.396 -5.839 441 3HD2 LEU 70 3HD2 LEU 70 0.503 8.220 -7.492 442 H ALA 71 H ALA 71 4.437 12.042 -4.173 443 HA ALA 71 HA ALA 71 2.873 14.404 -3.209 444 1HB ALA 71 1HB ALA 71 5.499 13.323 -2.168 445 2HB ALA 71 2HB ALA 71 4.802 14.878 -1.702 446 3HB ALA 71 3HB ALA 71 3.959 13.376 -1.309 447 H LEU 72 H LEU 72 3.154 16.097 -4.459 448 HA LEU 72 HA LEU 72 5.680 16.361 -6.036 449 1HB LEU 72 1HB LEU 72 2.869 17.345 -6.534 450 2HB LEU 72 2HB LEU 72 4.252 17.803 -7.527 451 HG LEU 72 HG LEU 72 4.647 15.250 -7.789 452 1HD1 LEU 72 1HD1 LEU 72 2.075 15.376 -6.336 453 2HD1 LEU 72 2HD1 LEU 72 2.076 14.319 -7.748 454 3HD1 LEU 72 3HD1 LEU 72 3.241 14.057 -6.451 455 1HD2 LEU 72 1HD2 LEU 72 3.524 17.046 -9.402 456 2HD2 LEU 72 2HD2 LEU 72 3.510 15.329 -9.806 457 3HD2 LEU 72 3HD2 LEU 72 2.082 16.078 -9.091 458 H GLY 73 H GLY 73 3.894 17.626 -3.481 459 1HA GLY 73 1HA GLY 73 4.791 19.437 -2.100 460 2HA GLY 73 2HA GLY 73 5.459 20.165 -3.570 461 H ALA 74 H ALA 74 2.694 19.977 -1.535 462 HA ALA 74 HA ALA 74 0.749 21.268 -1.502 463 1HB ALA 74 1HB ALA 74 2.515 22.834 -2.723 464 2HB ALA 74 2HB ALA 74 1.420 22.570 -4.077 465 3HB ALA 74 3HB ALA 74 0.813 23.282 -2.580 466 H GLY 75 H GLY 75 1.576 19.014 -3.782 467 1HA GLY 75 1HA GLY 75 -1.227 18.764 -4.683 468 2HA GLY 75 2HA GLY 75 0.022 18.851 -5.929 469 H SER 76 H SER 76 -1.798 16.575 -4.954 470 HA SER 76 HA SER 76 0.344 14.528 -4.943 471 1HB SER 76 1HB SER 76 0.124 13.982 -2.768 472 2HB SER 76 2HB SER 76 -0.963 15.348 -2.553 473 HG SER 76 HG SER 76 -2.394 13.849 -2.196 474 H ALA 77 H ALA 77 -0.578 12.337 -5.234 475 HA ALA 77 HA ALA 77 -3.290 12.380 -6.484 476 1HB ALA 77 1HB ALA 77 -0.713 11.875 -7.733 477 2HB ALA 77 2HB ALA 77 -1.792 10.488 -7.901 478 3HB ALA 77 3HB ALA 77 -2.296 12.074 -8.488 479 H LEU 78 H LEU 78 -4.530 10.912 -5.423 480 HA LEU 78 HA LEU 78 -3.217 8.805 -3.838 481 1HB LEU 78 1HB LEU 78 -6.067 9.778 -4.051 482 2HB LEU 78 2HB LEU 78 -5.624 8.349 -3.116 483 HG LEU 78 HG LEU 78 -3.763 10.312 -2.369 484 1HD1 LEU 78 1HD1 LEU 78 -6.067 11.598 -3.386 485 2HD1 LEU 78 2HD1 LEU 78 -6.187 11.693 -1.629 486 3HD1 LEU 78 3HD1 LEU 78 -4.762 12.327 -2.451 487 1HD2 LEU 78 1HD2 LEU 78 -4.862 8.517 -0.988 488 2HD2 LEU 78 2HD2 LEU 78 -4.816 10.090 -0.195 489 3HD2 LEU 78 3HD2 LEU 78 -6.313 9.518 -0.932 490 H LEU 79 H LEU 79 -3.641 6.581 -4.087 491 HA LEU 79 HA LEU 79 -4.958 5.801 -6.638 492 1HB LEU 79 1HB LEU 79 -2.233 5.735 -6.237 493 2HB LEU 79 2HB LEU 79 -2.715 4.099 -5.793 494 HG LEU 79 HG LEU 79 -2.182 4.765 -8.319 495 1HD1 LEU 79 1HD1 LEU 79 -3.478 2.681 -6.979 496 2HD1 LEU 79 2HD1 LEU 79 -4.533 3.080 -8.334 497 3HD1 LEU 79 3HD1 LEU 79 -2.847 2.648 -8.624 498 1HD2 LEU 79 1HD2 LEU 79 -4.124 6.497 -8.067 499 2HD2 LEU 79 2HD2 LEU 79 -4.017 5.538 -9.545 500 3HD2 LEU 79 3HD2 LEU 79 -5.165 5.088 -8.281 501 H GLY 80 H GLY 80 -5.651 3.551 -6.668 502 1HA GLY 80 1HA GLY 80 -5.659 1.971 -4.259 503 2HA GLY 80 2HA GLY 80 -7.201 2.791 -4.486 504 H THR 81 H THR 81 -5.084 0.283 -5.742 505 HA THR 81 HA THR 81 -7.248 -0.466 -7.673 506 HB THR 81 HB THR 81 -5.683 -1.149 -9.191 507 HG1 THR 81 HG1 THR 81 -4.329 -2.624 -8.619 508 1HG2 THR 81 1HG2 THR 81 -3.914 0.538 -7.402 509 2HG2 THR 81 2HG2 THR 81 -3.598 0.162 -9.099 510 3HG2 THR 81 3HG2 THR 81 -4.999 1.152 -8.654 511 H ASP 82 H ASP 82 -7.146 -2.986 -8.066 512 HA ASP 82 HA ASP 82 -6.951 -4.299 -5.386 513 1HB ASP 82 1HB ASP 82 -8.805 -5.747 -6.039 514 2HB ASP 82 2HB ASP 82 -9.294 -4.064 -6.211 515 H VAL 83 H VAL 83 -6.269 -6.590 -5.445 516 HA VAL 83 HA VAL 83 -4.933 -7.360 -8.001 517 HB VAL 83 HB VAL 83 -3.678 -7.135 -5.268 518 1HG1 VAL 83 1HG1 VAL 83 -3.272 -9.239 -7.197 519 2HG1 VAL 83 2HG1 VAL 83 -1.821 -8.245 -7.103 520 3HG1 VAL 83 3HG1 VAL 83 -2.471 -8.995 -5.645 521 1HG2 VAL 83 1HG2 VAL 83 -3.623 -5.242 -6.952 522 2HG2 VAL 83 2HG2 VAL 83 -2.042 -5.815 -6.425 523 3HG2 VAL 83 3HG2 VAL 83 -2.674 -6.301 -7.997 524 H GLN 84 H GLN 84 -4.972 -9.531 -8.440 525 HA GLN 84 HA GLN 84 -6.123 -11.344 -6.355 526 1HB GLN 84 1HB GLN 84 -6.751 -11.064 -9.288 527 2HB GLN 84 2HB GLN 84 -6.996 -12.607 -8.470 528 1HG GLN 84 1HG GLN 84 -8.215 -11.053 -6.678 529 2HG GLN 84 2HG GLN 84 -8.420 -10.006 -8.083 530 1HE2 GLN 84 2HE2 GLN 84 -8.674 -13.563 -7.446 531 2HE2 GLN 84 1HE2 GLN 84 -10.140 -13.748 -8.282 532 H VAL 85 H VAL 85 -4.078 -12.168 -5.746 533 HA VAL 85 HA VAL 85 -2.254 -13.157 -7.829 534 HB VAL 85 HB VAL 85 -2.136 -13.066 -4.813 535 1HG1 VAL 85 1HG1 VAL 85 -0.287 -14.422 -6.785 536 2HG1 VAL 85 2HG1 VAL 85 0.276 -13.878 -5.205 537 3HG1 VAL 85 3HG1 VAL 85 -0.997 -15.094 -5.319 538 1HG2 VAL 85 1HG2 VAL 85 -1.706 -11.077 -6.491 539 2HG2 VAL 85 2HG2 VAL 85 -0.615 -11.332 -5.130 540 3HG2 VAL 85 3HG2 VAL 85 -0.160 -11.888 -6.741 541 H GLU 86 H GLU 86 -2.028 -15.274 -8.417 542 HA GLU 86 HA GLU 86 -3.836 -17.242 -7.073 543 1HB GLU 86 1HB GLU 86 -2.530 -17.700 -9.742 544 2HB GLU 86 2HB GLU 86 -4.052 -18.346 -9.126 545 1HG GLU 86 1HG GLU 86 -4.715 -15.770 -9.066 546 2HG GLU 86 2HG GLU 86 -3.475 -15.664 -10.316 547 H ALA 87 H ALA 87 -2.498 -19.544 -8.207 548 HA ALA 87 HA ALA 87 0.214 -19.409 -6.988 549 1HB ALA 87 1HB ALA 87 -1.885 -20.479 -5.589 550 2HB ALA 87 2HB ALA 87 -1.269 -21.901 -6.429 551 3HB ALA 87 3HB ALA 87 -0.203 -20.964 -5.380 Start of MODEL 7 1 H ALA 8 H ALA 8 -4.221 9.460 -8.376 2 HA ALA 8 HA ALA 8 -3.781 10.068 -11.266 3 1HB ALA 8 1HB ALA 8 -2.102 8.617 -9.204 4 2HB ALA 8 2HB ALA 8 -1.747 8.565 -10.932 5 3HB ALA 8 3HB ALA 8 -1.706 10.101 -10.069 6 H THR 9 H THR 9 -3.979 8.355 -12.783 7 HA THR 9 HA THR 9 -6.015 6.436 -12.138 8 HB THR 9 HB THR 9 -5.324 7.503 -14.450 9 HG1 THR 9 HG1 THR 9 -6.577 5.970 -15.352 10 1HG2 THR 9 1HG2 THR 9 -3.053 6.198 -14.182 11 2HG2 THR 9 2HG2 THR 9 -3.997 4.841 -14.795 12 3HG2 THR 9 3HG2 THR 9 -3.827 6.305 -15.763 13 H LEU 10 H LEU 10 -5.848 4.200 -12.043 14 HA LEU 10 HA LEU 10 -3.429 3.212 -10.708 15 1HB LEU 10 1HB LEU 10 -6.048 1.853 -11.473 16 2HB LEU 10 2HB LEU 10 -4.792 1.122 -10.482 17 HG LEU 10 HG LEU 10 -5.076 2.962 -8.825 18 1HD1 LEU 10 1HD1 LEU 10 -7.257 3.792 -10.743 19 2HD1 LEU 10 2HD1 LEU 10 -7.270 4.267 -9.045 20 3HD1 LEU 10 3HD1 LEU 10 -5.950 4.781 -10.094 21 1HD2 LEU 10 1HD2 LEU 10 -6.380 0.739 -8.841 22 2HD2 LEU 10 2HD2 LEU 10 -7.007 2.040 -7.828 23 3HD2 LEU 10 3HD2 LEU 10 -7.753 1.701 -9.389 24 H VAL 11 H VAL 11 -1.732 2.700 -12.134 25 HA VAL 11 HA VAL 11 -2.493 0.986 -14.470 26 HB VAL 11 HB VAL 11 0.078 2.452 -14.526 27 1HG1 VAL 11 1HG1 VAL 11 -2.064 1.500 -16.402 28 2HG1 VAL 11 2HG1 VAL 11 -1.004 2.808 -16.925 29 3HG1 VAL 11 3HG1 VAL 11 -0.321 1.244 -16.479 30 1HG2 VAL 11 1HG2 VAL 11 -2.605 3.758 -14.404 31 2HG2 VAL 11 2HG2 VAL 11 -1.033 4.384 -13.911 32 3HG2 VAL 11 3HG2 VAL 11 -1.476 4.357 -15.617 33 H GLY 12 H GLY 12 -2.121 -1.011 -13.444 34 1HA GLY 12 1HA GLY 12 0.648 -1.410 -12.385 35 2HA GLY 12 2HA GLY 12 -0.754 -2.299 -11.797 36 HA PRO 13 HA PRO 13 0.286 -3.930 -16.222 37 1HB PRO 13 1HB PRO 13 2.818 -3.309 -17.100 38 2HB PRO 13 2HB PRO 13 1.369 -2.370 -17.499 39 1HG PRO 13 1HG PRO 13 3.534 -1.748 -15.526 40 2HG PRO 13 2HG PRO 13 2.532 -0.639 -16.479 41 1HD PRO 13 1HD PRO 13 2.123 -1.205 -13.775 42 2HD PRO 13 2HD PRO 13 0.890 -0.552 -14.870 43 H HIS 14 H HIS 14 1.167 -5.930 -16.594 44 HA HIS 14 HA HIS 14 3.499 -7.163 -15.915 45 1HB HIS 14 1HB HIS 14 3.309 -6.534 -13.576 46 2HB HIS 14 2HB HIS 14 1.669 -7.173 -13.499 47 HD1 HIS 14 HD1 HIS 14 1.393 -9.750 -13.408 48 HD2 HIS 14 HD2 HIS 14 5.365 -8.504 -13.573 49 HE1 HIS 14 HE1 HIS 14 2.805 -11.785 -12.877 50 H GLY 15 H GLY 15 0.031 -7.421 -15.687 51 1HA GLY 15 1HA GLY 15 -1.199 -8.981 -17.121 52 2HA GLY 15 2HA GLY 15 0.179 -10.084 -17.020 53 HA PRO 16 HA PRO 16 -2.599 -11.677 -13.819 54 1HB PRO 16 1HB PRO 16 -1.740 -14.269 -14.104 55 2HB PRO 16 2HB PRO 16 -3.017 -13.550 -15.101 56 1HG PRO 16 1HG PRO 16 -0.187 -14.162 -15.832 57 2HG PRO 16 2HG PRO 16 -1.618 -14.060 -16.873 58 1HD PRO 16 1HD PRO 16 0.367 -12.064 -16.604 59 2HD PRO 16 2HD PRO 16 -1.234 -11.846 -17.345 60 H LEU 17 H LEU 17 -2.024 -12.282 -11.663 61 HA LEU 17 HA LEU 17 0.905 -12.144 -11.118 62 1HB LEU 17 1HB LEU 17 -1.531 -11.330 -9.576 63 2HB LEU 17 2HB LEU 17 -0.082 -11.790 -8.683 64 HG LEU 17 HG LEU 17 -0.116 -9.363 -9.097 65 1HD1 LEU 17 1HD1 LEU 17 1.966 -11.165 -10.161 66 2HD1 LEU 17 2HD1 LEU 17 2.049 -9.512 -10.772 67 3HD1 LEU 17 3HD1 LEU 17 2.110 -9.816 -9.036 68 1HD2 LEU 17 1HD2 LEU 17 -1.453 -9.649 -11.267 69 2HD2 LEU 17 2HD2 LEU 17 -0.174 -8.435 -11.289 70 3HD2 LEU 17 3HD2 LEU 17 0.089 -10.007 -12.043 71 H ALA 18 H ALA 18 1.743 -14.162 -10.937 72 HA ALA 18 HA ALA 18 0.086 -16.346 -9.836 73 1HB ALA 18 1HB ALA 18 1.765 -16.515 -11.837 74 2HB ALA 18 2HB ALA 18 2.996 -16.595 -10.577 75 3HB ALA 18 3HB ALA 18 1.729 -17.819 -10.650 76 H SER 19 H SER 19 0.999 -17.661 -8.020 77 HA SER 19 HA SER 19 1.668 -16.058 -5.777 78 1HB SER 19 1HB SER 19 0.771 -18.215 -5.325 79 2HB SER 19 2HB SER 19 1.989 -19.013 -6.315 80 HG SER 19 HG SER 19 2.953 -17.419 -4.271 81 H GLY 20 H GLY 20 3.517 -14.944 -5.476 82 1HA GLY 20 1HA GLY 20 5.875 -14.757 -5.106 83 2HA GLY 20 2HA GLY 20 6.105 -16.279 -5.967 84 H GLN 21 H GLN 21 4.383 -13.327 -6.991 85 HA GLN 21 HA GLN 21 6.302 -13.181 -9.288 86 1HB GLN 21 1HB GLN 21 3.356 -13.186 -9.210 87 2HB GLN 21 2HB GLN 21 4.060 -11.930 -10.227 88 1HG GLN 21 1HG GLN 21 5.083 -14.753 -10.400 89 2HG GLN 21 2HG GLN 21 3.620 -14.288 -11.268 90 1HE2 GLN 21 2HE2 GLN 21 4.362 -14.118 -13.419 91 2HE2 GLN 21 1HE2 GLN 21 5.651 -13.128 -13.902 92 H LEU 22 H LEU 22 6.806 -11.089 -10.083 93 HA LEU 22 HA LEU 22 6.428 -8.904 -8.084 94 1HB LEU 22 1HB LEU 22 8.779 -9.708 -8.710 95 2HB LEU 22 2HB LEU 22 8.485 -9.034 -10.308 96 HG LEU 22 HG LEU 22 9.726 -7.479 -8.781 97 1HD1 LEU 22 1HD1 LEU 22 7.982 -6.792 -10.648 98 2HD1 LEU 22 2HD1 LEU 22 7.047 -6.229 -9.262 99 3HD1 LEU 22 3HD1 LEU 22 8.652 -5.572 -9.565 100 1HD2 LEU 22 1HD2 LEU 22 7.602 -8.232 -6.996 101 2HD2 LEU 22 2HD2 LEU 22 9.035 -7.263 -6.656 102 3HD2 LEU 22 3HD2 LEU 22 7.563 -6.484 -7.241 103 H ALA 23 H ALA 23 4.514 -7.931 -8.813 104 HA ALA 23 HA ALA 23 4.091 -7.435 -11.673 105 1HB ALA 23 1HB ALA 23 2.558 -7.050 -9.170 106 2HB ALA 23 2HB ALA 23 2.280 -5.833 -10.416 107 3HB ALA 23 3HB ALA 23 1.995 -7.539 -10.769 108 H ALA 24 H ALA 24 4.067 -5.219 -12.599 109 HA ALA 24 HA ALA 24 5.725 -3.354 -10.940 110 1HB ALA 24 1HB ALA 24 5.658 -3.747 -13.944 111 2HB ALA 24 2HB ALA 24 6.514 -2.430 -13.141 112 3HB ALA 24 3HB ALA 24 6.998 -4.105 -12.851 113 H PHE 25 H PHE 25 4.673 -1.518 -10.386 114 HA PHE 25 HA PHE 25 2.157 -0.875 -11.857 115 1HB PHE 25 1HB PHE 25 3.039 -0.343 -9.019 116 2HB PHE 25 2HB PHE 25 1.625 0.405 -9.740 117 HD1 PHE 25 HD1 PHE 25 3.073 -3.087 -9.666 118 HD2 PHE 25 HD2 PHE 25 -0.352 -0.526 -9.124 119 HE1 PHE 25 HE1 PHE 25 1.678 -5.055 -9.080 120 HE2 PHE 25 HE2 PHE 25 -1.735 -2.510 -8.549 121 HZ PHE 25 HZ PHE 25 -0.719 -4.770 -8.529 122 H HIS 26 H HIS 26 1.514 1.438 -11.628 123 HA HIS 26 HA HIS 26 3.341 3.546 -11.191 124 1HB HIS 26 1HB HIS 26 4.072 4.222 -13.296 125 2HB HIS 26 2HB HIS 26 4.210 2.476 -13.419 126 HD1 HIS 26 HD1 HIS 26 1.643 5.186 -14.251 127 HD2 HIS 26 HD2 HIS 26 2.953 1.479 -15.635 128 HE1 HIS 26 HE1 HIS 26 0.385 4.736 -16.403 129 H ILE 27 H ILE 27 2.199 5.561 -11.358 130 HA ILE 27 HA ILE 27 -0.729 5.167 -11.796 131 HB ILE 27 HB ILE 27 0.106 7.559 -10.283 132 1HG1 ILE 27 1HG1 ILE 27 1.623 5.350 -9.670 133 2HG1 ILE 27 2HG1 ILE 27 1.175 6.592 -8.507 134 1HG2 ILE 27 1HG2 ILE 27 -1.837 5.271 -9.881 135 2HG2 ILE 27 2HG2 ILE 27 -1.667 6.607 -8.741 136 3HG2 ILE 27 3HG2 ILE 27 -2.217 6.913 -10.395 137 1HD1 ILE 27 1HD1 ILE 27 -0.577 4.177 -9.063 138 2HD1 ILE 27 2HD1 ILE 27 0.672 4.193 -7.811 139 3HD1 ILE 27 3HD1 ILE 27 -0.677 5.319 -7.714 140 H ALA 28 H ALA 28 -1.898 7.033 -12.791 141 HA ALA 28 HA ALA 28 -0.028 8.740 -14.409 142 1HB ALA 28 1HB ALA 28 -1.381 6.636 -15.452 143 2HB ALA 28 2HB ALA 28 -2.548 7.933 -15.708 144 3HB ALA 28 3HB ALA 28 -0.922 8.064 -16.380 145 H ALA 29 H ALA 29 -0.440 10.848 -14.140 146 HA ALA 29 HA ALA 29 -2.848 12.151 -14.625 147 1HB ALA 29 1HB ALA 29 -2.668 11.124 -11.852 148 2HB ALA 29 2HB ALA 29 -3.192 12.800 -12.020 149 3HB ALA 29 3HB ALA 29 -4.090 11.509 -12.820 150 HA PRO 30 HA PRO 30 -0.056 15.321 -12.526 151 1HB PRO 30 1HB PRO 30 1.667 14.520 -10.541 152 2HB PRO 30 2HB PRO 30 -0.008 15.008 -10.231 153 1HG PRO 30 1HG PRO 30 1.173 12.268 -10.260 154 2HG PRO 30 2HG PRO 30 -0.219 12.879 -9.353 155 1HD PRO 30 1HD PRO 30 -0.344 11.324 -11.701 156 2HD PRO 30 2HD PRO 30 -1.678 12.264 -10.998 157 H LEU 31 H LEU 31 0.778 14.654 -14.732 158 HA LEU 31 HA LEU 31 2.787 13.006 -15.487 159 1HB LEU 31 1HB LEU 31 1.909 15.633 -16.347 160 2HB LEU 31 2HB LEU 31 3.638 15.415 -16.625 161 HG LEU 31 HG LEU 31 2.890 13.056 -17.534 162 1HD1 LEU 31 1HD1 LEU 31 0.388 14.319 -16.971 163 2HD1 LEU 31 2HD1 LEU 31 0.533 14.155 -18.720 164 3HD1 LEU 31 3HD1 LEU 31 0.670 12.733 -17.686 165 1HD2 LEU 31 1HD2 LEU 31 3.593 15.471 -18.683 166 2HD2 LEU 31 2HD2 LEU 31 3.409 13.949 -19.555 167 3HD2 LEU 31 3HD2 LEU 31 2.069 15.094 -19.486 168 HA PRO 32 HA PRO 32 6.350 15.634 -13.768 169 1HB PRO 32 1HB PRO 32 5.747 17.918 -12.366 170 2HB PRO 32 2HB PRO 32 5.981 17.879 -14.121 171 1HG PRO 32 1HG PRO 32 3.450 18.140 -12.573 172 2HG PRO 32 2HG PRO 32 3.819 18.679 -14.219 173 1HD PRO 32 1HD PRO 32 2.349 16.360 -13.503 174 2HD PRO 32 2HD PRO 32 2.957 16.765 -15.120 175 H VAL 33 H VAL 33 5.878 13.604 -12.323 176 HA VAL 33 HA VAL 33 5.277 14.428 -9.512 177 HB VAL 33 HB VAL 33 5.135 11.765 -10.926 178 1HG1 VAL 33 1HG1 VAL 33 5.112 12.311 -7.940 179 2HG1 VAL 33 2HG1 VAL 33 4.669 10.775 -8.684 180 3HG1 VAL 33 3HG1 VAL 33 6.322 11.372 -8.814 181 1HG2 VAL 33 1HG2 VAL 33 3.287 13.767 -10.268 182 2HG2 VAL 33 2HG2 VAL 33 2.915 12.124 -10.789 183 3HG2 VAL 33 3HG2 VAL 33 3.027 12.500 -9.070 184 H THR 34 H THR 34 6.776 13.843 -7.851 185 HA THR 34 HA THR 34 9.483 13.138 -8.883 186 HB THR 34 HB THR 34 10.283 14.330 -6.773 187 HG1 THR 34 HG1 THR 34 8.842 15.356 -5.601 188 1HG2 THR 34 1HG2 THR 34 9.270 15.400 -9.278 189 2HG2 THR 34 2HG2 THR 34 9.182 16.598 -7.987 190 3HG2 THR 34 3HG2 THR 34 10.724 15.841 -8.383 191 H ALA 35 H ALA 35 7.073 12.415 -6.470 192 HA ALA 35 HA ALA 35 8.418 9.873 -5.915 193 1HB ALA 35 1HB ALA 35 8.469 12.163 -4.017 194 2HB ALA 35 2HB ALA 35 8.124 10.574 -3.334 195 3HB ALA 35 3HB ALA 35 9.624 10.845 -4.221 196 H THR 36 H THR 36 7.018 8.350 -5.135 197 HA THR 36 HA THR 36 4.242 9.238 -4.464 198 HB THR 36 HB THR 36 4.118 8.367 -6.716 199 HG1 THR 36 HG1 THR 36 2.922 6.418 -6.294 200 1HG2 THR 36 1HG2 THR 36 6.373 7.183 -6.491 201 2HG2 THR 36 2HG2 THR 36 5.482 5.858 -5.746 202 3HG2 THR 36 3HG2 THR 36 5.134 6.330 -7.409 203 H ARG 37 H ARG 37 3.131 7.730 -3.037 204 HA ARG 37 HA ARG 37 4.991 5.847 -1.661 205 1HB ARG 37 1HB ARG 37 3.705 8.113 -0.563 206 2HB ARG 37 2HB ARG 37 2.852 6.702 0.069 207 1HG ARG 37 1HG ARG 37 5.091 5.708 0.663 208 2HG ARG 37 2HG ARG 37 5.830 7.247 0.216 209 1HD ARG 37 1HD ARG 37 3.633 6.970 2.283 210 2HD ARG 37 2HD ARG 37 5.351 7.031 2.677 211 HE ARG 37 HE ARG 37 4.723 9.281 1.044 212 1HH1 ARG 37 1HH1 ARG 37 3.122 8.153 3.803 213 2HH1 ARG 37 2HH1 ARG 37 3.349 9.600 4.724 214 1HH2 ARG 37 1HH2 ARG 37 5.442 11.083 2.392 215 2HH2 ARG 37 2HH2 ARG 37 4.659 11.257 3.928 216 H TRP 38 H TRP 38 4.300 3.905 -2.450 217 HA TRP 38 HA TRP 38 1.420 3.409 -2.851 218 1HB TRP 38 1HB TRP 38 3.774 1.542 -3.190 219 2HB TRP 38 2HB TRP 38 2.122 1.218 -3.688 220 HD1 TRP 38 HD1 TRP 38 4.788 3.963 -4.373 221 HE1 TRP 38 HE1 TRP 38 4.654 4.538 -6.882 222 HE3 TRP 38 HE3 TRP 38 0.911 0.962 -5.769 223 HZ2 TRP 38 HZ2 TRP 38 3.117 3.831 -9.170 224 HZ3 TRP 38 HZ3 TRP 38 0.127 0.935 -8.115 225 HH2 TRP 38 HH2 TRP 38 1.224 2.365 -9.816 226 H ASP 39 H ASP 39 0.826 1.048 -2.095 227 HA ASP 39 HA ASP 39 1.959 0.349 0.520 228 1HB ASP 39 1HB ASP 39 -0.523 1.831 0.254 229 2HB ASP 39 2HB ASP 39 -0.829 0.245 0.961 230 H PHE 40 H PHE 40 2.467 -1.719 -0.145 231 HA PHE 40 HA PHE 40 0.646 -3.147 -1.941 232 1HB PHE 40 1HB PHE 40 3.016 -4.362 -0.512 233 2HB PHE 40 2HB PHE 40 2.242 -4.907 -1.994 234 HD1 PHE 40 HD1 PHE 40 2.030 -1.659 -2.700 235 HD2 PHE 40 HD2 PHE 40 5.123 -4.558 -1.958 236 HE1 PHE 40 HE1 PHE 40 3.621 -0.320 -4.042 237 HE2 PHE 40 HE2 PHE 40 6.702 -3.211 -3.303 238 HZ PHE 40 HZ PHE 40 5.954 -1.094 -4.345 239 H GLY 41 H GLY 41 1.986 -4.179 1.218 240 1HA GLY 41 1HA GLY 41 0.610 -4.925 3.077 241 2HA GLY 41 2HA GLY 41 -0.739 -5.128 1.959 242 H ASP 42 H ASP 42 2.086 -6.288 0.565 243 HA ASP 42 HA ASP 42 1.305 -9.112 1.087 244 1HB ASP 42 1HB ASP 42 2.925 -9.522 -0.828 245 2HB ASP 42 2HB ASP 42 1.534 -8.527 -1.258 246 H GLY 43 H GLY 43 2.668 -7.533 3.104 247 1HA GLY 43 1HA GLY 43 4.360 -8.544 4.625 248 2HA GLY 43 2HA GLY 43 5.312 -8.922 3.179 249 H SER 44 H SER 44 4.797 -6.531 1.737 250 HA SER 44 HA SER 44 6.308 -4.559 3.404 251 1HB SER 44 1HB SER 44 7.070 -3.574 1.278 252 2HB SER 44 2HB SER 44 7.489 -5.282 1.345 253 HG SER 44 HG SER 44 5.133 -5.252 0.291 254 H ALA 45 H ALA 45 4.698 -3.342 4.344 255 HA ALA 45 HA ALA 45 2.236 -2.696 2.955 256 1HB ALA 45 1HB ALA 45 3.454 -1.875 5.577 257 2HB ALA 45 2HB ALA 45 1.990 -1.096 4.978 258 3HB ALA 45 3HB ALA 45 2.001 -2.832 5.287 259 H GLU 46 H GLU 46 3.998 -0.162 4.562 260 HA GLU 46 HA GLU 46 3.407 1.866 2.721 261 1HB GLU 46 1HB GLU 46 5.441 3.040 3.689 262 2HB GLU 46 2HB GLU 46 4.269 2.470 4.878 263 1HG GLU 46 1HG GLU 46 5.680 0.872 5.704 264 2HG GLU 46 2HG GLU 46 6.389 0.536 4.126 265 H VAL 47 H VAL 47 4.492 2.739 0.921 266 HA VAL 47 HA VAL 47 6.828 1.171 -0.091 267 HB VAL 47 HB VAL 47 4.415 2.039 -1.711 268 1HG1 VAL 47 1HG1 VAL 47 6.692 1.954 -2.848 269 2HG1 VAL 47 2HG1 VAL 47 6.699 0.224 -2.505 270 3HG1 VAL 47 3HG1 VAL 47 5.451 0.911 -3.542 271 1HG2 VAL 47 1HG2 VAL 47 4.465 -0.042 0.025 272 2HG2 VAL 47 2HG2 VAL 47 3.557 -0.062 -1.484 273 3HG2 VAL 47 3HG2 VAL 47 5.147 -0.819 -1.402 274 H ASP 48 H ASP 48 8.445 2.689 -0.172 275 HA ASP 48 HA ASP 48 7.779 5.476 -0.934 276 1HB ASP 48 1HB ASP 48 9.863 4.191 0.609 277 2HB ASP 48 2HB ASP 48 10.581 5.166 -0.674 278 H ALA 49 H ALA 49 7.539 5.674 -3.138 279 HA ALA 49 HA ALA 49 9.586 4.317 -4.851 280 1HB ALA 49 1HB ALA 49 6.777 4.110 -4.895 281 2HB ALA 49 2HB ALA 49 7.216 5.085 -6.298 282 3HB ALA 49 3HB ALA 49 7.913 3.478 -6.088 283 H ALA 50 H ALA 50 9.961 5.439 -6.960 284 HA ALA 50 HA ALA 50 10.176 8.365 -6.509 285 1HB ALA 50 1HB ALA 50 11.936 6.461 -7.568 286 2HB ALA 50 2HB ALA 50 11.372 7.372 -8.968 287 3HB ALA 50 3HB ALA 50 12.135 8.213 -7.619 288 H GLY 51 H GLY 51 9.482 9.853 -8.151 289 1HA GLY 51 1HA GLY 51 7.779 10.664 -9.561 290 2HA GLY 51 2HA GLY 51 8.305 9.349 -10.614 291 HA PRO 52 HA PRO 52 4.091 8.178 -9.364 292 1HB PRO 52 1HB PRO 52 3.137 7.915 -11.921 293 2HB PRO 52 2HB PRO 52 3.140 9.457 -11.049 294 1HG PRO 52 1HG PRO 52 4.852 8.596 -13.315 295 2HG PRO 52 2HG PRO 52 4.478 10.235 -12.754 296 1HD PRO 52 1HD PRO 52 6.876 8.723 -12.246 297 2HD PRO 52 2HD PRO 52 6.460 10.334 -11.619 298 H ALA 53 H ALA 53 6.490 6.352 -9.569 299 HA ALA 53 HA ALA 53 5.020 4.057 -10.801 300 1HB ALA 53 1HB ALA 53 7.377 5.273 -11.865 301 2HB ALA 53 2HB ALA 53 7.770 3.638 -11.332 302 3HB ALA 53 3HB ALA 53 6.462 3.899 -12.488 303 H ALA 54 H ALA 54 5.764 1.951 -10.151 304 HA ALA 54 HA ALA 54 7.686 1.510 -8.048 305 1HB ALA 54 1HB ALA 54 4.751 1.505 -7.264 306 2HB ALA 54 2HB ALA 54 6.067 0.904 -6.254 307 3HB ALA 54 3HB ALA 54 5.978 2.617 -6.660 308 H SER 55 H SER 55 6.658 -0.820 -6.944 309 HA SER 55 HA SER 55 5.476 -2.474 -9.061 310 1HB SER 55 1HB SER 55 7.398 -4.089 -9.027 311 2HB SER 55 2HB SER 55 7.744 -2.560 -9.825 312 HG SER 55 HG SER 55 8.936 -1.927 -8.113 313 H HIS 56 H HIS 56 4.583 -4.368 -8.232 314 HA HIS 56 HA HIS 56 4.585 -4.541 -5.262 315 1HB HIS 56 1HB HIS 56 2.652 -5.184 -7.427 316 2HB HIS 56 2HB HIS 56 2.605 -6.191 -5.978 317 HD1 HIS 56 HD1 HIS 56 2.663 -2.474 -6.849 318 HD2 HIS 56 HD2 HIS 56 1.208 -5.044 -3.918 319 HE1 HIS 56 HE1 HIS 56 1.304 -1.054 -5.252 320 H ARG 57 H ARG 57 4.981 -6.468 -4.197 321 HA ARG 57 HA ARG 57 6.116 -8.695 -5.844 322 1HB ARG 57 1HB ARG 57 7.467 -9.216 -3.742 323 2HB ARG 57 2HB ARG 57 7.931 -7.740 -4.588 324 1HG ARG 57 1HG ARG 57 5.884 -7.003 -2.767 325 2HG ARG 57 2HG ARG 57 6.995 -8.042 -1.880 326 1HD ARG 57 1HD ARG 57 7.723 -5.702 -1.742 327 2HD ARG 57 2HD ARG 57 8.894 -6.657 -2.649 328 HE ARG 57 HE ARG 57 6.849 -5.268 -4.262 329 1HH1 ARG 57 1HH1 ARG 57 9.583 -4.433 -2.472 330 2HH1 ARG 57 2HH1 ARG 57 10.438 -3.720 -3.797 331 1HH2 ARG 57 1HH2 ARG 57 8.130 -4.731 -6.179 332 2HH2 ARG 57 2HH2 ARG 57 9.615 -3.885 -5.897 333 H TYR 58 H TYR 58 4.095 -9.799 -5.928 334 HA TYR 58 HA TYR 58 2.775 -10.415 -3.352 335 1HB TYR 58 1HB TYR 58 2.027 -10.888 -6.242 336 2HB TYR 58 2HB TYR 58 1.064 -11.503 -4.899 337 HD1 TYR 58 HD1 TYR 58 1.051 -9.563 -2.888 338 HD2 TYR 58 HD2 TYR 58 1.047 -8.964 -7.137 339 HE1 TYR 58 HE1 TYR 58 -0.040 -7.367 -2.573 340 HE2 TYR 58 HE2 TYR 58 -0.048 -6.762 -6.820 341 HH TYR 58 HH TYR 58 -0.741 -5.533 -3.545 342 H VAL 59 H VAL 59 3.068 -12.306 -2.300 343 HA VAL 59 HA VAL 59 4.469 -14.493 -3.780 344 HB VAL 59 HB VAL 59 5.853 -13.455 -2.027 345 1HG1 VAL 59 1HG1 VAL 59 3.442 -13.306 -0.626 346 2HG1 VAL 59 2HG1 VAL 59 4.369 -14.530 0.239 347 3HG1 VAL 59 3HG1 VAL 59 5.041 -12.917 0.008 348 1HG2 VAL 59 1HG2 VAL 59 6.060 -15.888 -2.519 349 2HG2 VAL 59 2HG2 VAL 59 6.437 -15.518 -0.837 350 3HG2 VAL 59 3HG2 VAL 59 4.877 -16.224 -1.255 351 H LEU 60 H LEU 60 1.764 -13.742 -1.625 352 HA LEU 60 HA LEU 60 1.127 -16.649 -1.489 353 1HB LEU 60 1HB LEU 60 0.992 -14.661 0.429 354 2HB LEU 60 2HB LEU 60 -0.683 -14.795 -0.106 355 HG LEU 60 HG LEU 60 0.494 -17.423 0.191 356 1HD1 LEU 60 1HD1 LEU 60 0.909 -15.431 2.381 357 2HD1 LEU 60 2HD1 LEU 60 0.407 -17.059 2.832 358 3HD1 LEU 60 3HD1 LEU 60 1.900 -16.817 1.924 359 1HD2 LEU 60 1HD2 LEU 60 -1.970 -16.167 0.444 360 2HD2 LEU 60 2HD2 LEU 60 -1.628 -17.844 0.865 361 3HD2 LEU 60 3HD2 LEU 60 -1.563 -16.592 2.105 362 HA PRO 61 HA PRO 61 -2.015 -16.084 -4.521 363 1HB PRO 61 1HB PRO 61 -3.457 -18.363 -3.981 364 2HB PRO 61 2HB PRO 61 -1.917 -18.364 -4.858 365 1HG PRO 61 1HG PRO 61 -2.480 -19.204 -2.052 366 2HG PRO 61 2HG PRO 61 -1.197 -19.742 -3.148 367 1HD PRO 61 1HD PRO 61 -0.897 -17.888 -1.034 368 2HD PRO 61 2HD PRO 61 0.272 -18.178 -2.339 369 H GLY 62 H GLY 62 -3.693 -14.653 -4.297 370 1HA GLY 62 1HA GLY 62 -6.117 -15.043 -3.037 371 2HA GLY 62 2HA GLY 62 -5.102 -14.368 -1.760 372 H ARG 63 H ARG 63 -6.692 -12.533 -1.896 373 HA ARG 63 HA ARG 63 -6.183 -10.777 -4.250 374 1HB ARG 63 1HB ARG 63 -8.567 -11.476 -3.087 375 2HB ARG 63 2HB ARG 63 -8.228 -9.928 -2.311 376 1HG ARG 63 1HG ARG 63 -7.681 -9.095 -4.713 377 2HG ARG 63 2HG ARG 63 -8.564 -10.526 -5.246 378 1HD ARG 63 1HD ARG 63 -9.573 -8.069 -3.912 379 2HD ARG 63 2HD ARG 63 -10.352 -9.097 -5.112 380 HE ARG 63 HE ARG 63 -10.255 -9.667 -2.186 381 1HH1 ARG 63 1HH1 ARG 63 -10.562 -11.633 -4.757 382 2HH1 ARG 63 2HH1 ARG 63 -12.227 -12.045 -4.529 383 1HH2 ARG 63 1HH2 ARG 63 -12.786 -9.592 -2.142 384 2HH2 ARG 63 2HH2 ARG 63 -13.488 -10.890 -3.048 385 H TYR 64 H TYR 64 -4.760 -9.147 -3.945 386 HA TYR 64 HA TYR 64 -4.190 -8.242 -1.157 387 1HB TYR 64 1HB TYR 64 -2.645 -7.992 -3.747 388 2HB TYR 64 2HB TYR 64 -2.188 -7.150 -2.271 389 HD1 TYR 64 HD1 TYR 64 -2.773 -10.525 -3.727 390 HD2 TYR 64 HD2 TYR 64 -0.998 -8.250 -0.548 391 HE1 TYR 64 HE1 TYR 64 -1.544 -12.536 -2.975 392 HE2 TYR 64 HE2 TYR 64 0.228 -10.269 0.211 393 HH TYR 64 HH TYR 64 0.430 -12.492 -0.026 394 H HIS 65 H HIS 65 -4.177 -5.960 -0.724 395 HA HIS 65 HA HIS 65 -5.765 -4.381 -2.700 396 1HB HIS 65 1HB HIS 65 -6.883 -4.583 -0.542 397 2HB HIS 65 2HB HIS 65 -5.431 -4.030 0.294 398 HD1 HIS 65 HD1 HIS 65 -7.972 -2.782 -2.245 399 HD2 HIS 65 HD2 HIS 65 -5.230 -1.263 0.501 400 HE1 HIS 65 HE1 HIS 65 -8.330 -0.276 -2.189 401 H VAL 66 H VAL 66 -4.691 -2.774 -3.728 402 HA VAL 66 HA VAL 66 -2.060 -1.908 -2.615 403 HB VAL 66 HB VAL 66 -3.152 -1.713 -5.434 404 1HG1 VAL 66 1HG1 VAL 66 -0.460 -1.009 -4.218 405 2HG1 VAL 66 2HG1 VAL 66 -0.758 -1.131 -5.956 406 3HG1 VAL 66 3HG1 VAL 66 -1.594 0.095 -5.004 407 1HG2 VAL 66 1HG2 VAL 66 -1.351 -3.648 -4.021 408 2HG2 VAL 66 2HG2 VAL 66 -2.675 -3.974 -5.140 409 3HG2 VAL 66 3HG2 VAL 66 -1.142 -3.348 -5.747 410 H THR 67 H THR 67 -1.557 0.340 -2.598 411 HA THR 67 HA THR 67 -3.665 2.278 -3.307 412 HB THR 67 HB THR 67 -4.211 2.965 -1.204 413 HG1 THR 67 HG1 THR 67 -2.705 3.553 0.173 414 1HG2 THR 67 1HG2 THR 67 -4.496 0.502 -1.072 415 2HG2 THR 67 2HG2 THR 67 -2.866 0.367 -0.413 416 3HG2 THR 67 3HG2 THR 67 -4.119 1.213 0.496 417 H ALA 68 H ALA 68 -2.752 4.515 -3.309 418 HA ALA 68 HA ALA 68 0.178 4.687 -2.942 419 1HB ALA 68 1HB ALA 68 -0.666 3.972 -5.425 420 2HB ALA 68 2HB ALA 68 -0.702 5.730 -5.572 421 3HB ALA 68 3HB ALA 68 0.796 4.912 -5.126 422 H VAL 69 H VAL 69 0.961 6.871 -2.960 423 HA VAL 69 HA VAL 69 -1.019 9.041 -3.179 424 HB VAL 69 HB VAL 69 -1.194 8.334 -0.826 425 1HG1 VAL 69 1HG1 VAL 69 1.407 7.631 -0.994 426 2HG1 VAL 69 2HG1 VAL 69 1.580 9.205 -0.217 427 3HG1 VAL 69 3HG1 VAL 69 0.601 7.950 0.541 428 1HG2 VAL 69 1HG2 VAL 69 -0.390 10.944 -1.769 429 2HG2 VAL 69 2HG2 VAL 69 -1.526 10.536 -0.483 430 3HG2 VAL 69 3HG2 VAL 69 0.192 10.698 -0.123 431 H LEU 70 H LEU 70 0.087 10.263 -4.664 432 HA LEU 70 HA LEU 70 3.031 10.389 -4.501 433 1HB LEU 70 1HB LEU 70 1.825 12.203 -6.434 434 2HB LEU 70 2HB LEU 70 2.992 10.914 -6.696 435 HG LEU 70 HG LEU 70 -0.016 10.595 -6.479 436 1HD1 LEU 70 1HD1 LEU 70 1.297 11.605 -8.559 437 2HD1 LEU 70 2HD1 LEU 70 1.622 9.899 -8.878 438 3HD1 LEU 70 3HD1 LEU 70 -0.042 10.478 -8.786 439 1HD2 LEU 70 1HD2 LEU 70 1.581 8.665 -5.673 440 2HD2 LEU 70 2HD2 LEU 70 0.259 8.287 -6.780 441 3HD2 LEU 70 3HD2 LEU 70 1.904 8.465 -7.395 442 H ALA 71 H ALA 71 4.193 12.365 -4.193 443 HA ALA 71 HA ALA 71 2.529 14.643 -3.216 444 1HB ALA 71 1HB ALA 71 4.972 13.502 -1.843 445 2HB ALA 71 2HB ALA 71 4.228 15.051 -1.438 446 3HB ALA 71 3HB ALA 71 3.325 13.549 -1.210 447 H LEU 72 H LEU 72 2.999 16.368 -4.363 448 HA LEU 72 HA LEU 72 5.722 16.638 -5.559 449 1HB LEU 72 1HB LEU 72 2.974 17.417 -6.410 450 2HB LEU 72 2HB LEU 72 4.319 18.432 -6.925 451 HG LEU 72 HG LEU 72 4.347 15.429 -7.287 452 1HD1 LEU 72 1HD1 LEU 72 2.392 16.703 -8.436 453 2HD1 LEU 72 2HD1 LEU 72 3.647 17.398 -9.461 454 3HD1 LEU 72 3HD1 LEU 72 3.400 15.652 -9.431 455 1HD2 LEU 72 1HD2 LEU 72 6.426 17.027 -7.383 456 2HD2 LEU 72 2HD2 LEU 72 6.207 15.835 -8.664 457 3HD2 LEU 72 3HD2 LEU 72 5.757 17.517 -8.939 458 H GLY 73 H GLY 73 3.610 17.858 -3.220 459 1HA GLY 73 1HA GLY 73 4.447 19.506 -1.594 460 2HA GLY 73 2HA GLY 73 5.289 20.310 -2.924 461 H ALA 74 H ALA 74 3.399 20.487 -4.862 462 HA ALA 74 HA ALA 74 1.268 22.141 -3.582 463 1HB ALA 74 1HB ALA 74 2.832 22.429 -6.127 464 2HB ALA 74 2HB ALA 74 1.212 23.121 -6.025 465 3HB ALA 74 3HB ALA 74 2.468 23.646 -4.903 466 H GLY 75 H GLY 75 1.814 19.259 -5.236 467 1HA GLY 75 1HA GLY 75 -1.082 19.005 -5.806 468 2HA GLY 75 2HA GLY 75 0.037 18.708 -7.139 469 H SER 76 H SER 76 -1.758 16.762 -5.875 470 HA SER 76 HA SER 76 0.281 14.702 -5.284 471 1HB SER 76 1HB SER 76 -0.371 14.245 -3.120 472 2HB SER 76 2HB SER 76 -0.742 15.966 -3.140 473 HG SER 76 HG SER 76 -2.392 13.903 -2.804 474 H ALA 77 H ALA 77 -0.845 12.506 -5.092 475 HA ALA 77 HA ALA 77 -3.460 12.405 -6.489 476 1HB ALA 77 1HB ALA 77 -0.909 11.821 -7.712 477 2HB ALA 77 2HB ALA 77 -1.900 10.361 -7.653 478 3HB ALA 77 3HB ALA 77 -2.514 11.812 -8.446 479 H LEU 78 H LEU 78 -4.535 10.332 -6.164 480 HA LEU 78 HA LEU 78 -3.291 8.697 -3.993 481 1HB LEU 78 1HB LEU 78 -6.195 9.465 -4.376 482 2HB LEU 78 2HB LEU 78 -5.630 8.288 -3.190 483 HG LEU 78 HG LEU 78 -3.974 10.321 -2.584 484 1HD1 LEU 78 1HD1 LEU 78 -6.182 11.472 -4.171 485 2HD1 LEU 78 2HD1 LEU 78 -5.904 12.265 -2.621 486 3HD1 LEU 78 3HD1 LEU 78 -4.596 12.145 -3.797 487 1HD2 LEU 78 1HD2 LEU 78 -6.381 9.183 -1.538 488 2HD2 LEU 78 2HD2 LEU 78 -5.087 9.993 -0.654 489 3HD2 LEU 78 3HD2 LEU 78 -6.445 10.926 -1.280 490 H LEU 79 H LEU 79 -3.693 6.443 -4.061 491 HA LEU 79 HA LEU 79 -4.972 5.432 -6.548 492 1HB LEU 79 1HB LEU 79 -2.221 5.519 -6.099 493 2HB LEU 79 2HB LEU 79 -2.662 3.867 -5.682 494 HG LEU 79 HG LEU 79 -2.126 4.719 -8.208 495 1HD1 LEU 79 1HD1 LEU 79 -4.021 2.529 -7.351 496 2HD1 LEU 79 2HD1 LEU 79 -3.228 2.624 -8.924 497 3HD1 LEU 79 3HD1 LEU 79 -2.266 2.405 -7.462 498 1HD2 LEU 79 1HD2 LEU 79 -4.211 6.135 -8.129 499 2HD2 LEU 79 2HD2 LEU 79 -4.173 4.958 -9.446 500 3HD2 LEU 79 3HD2 LEU 79 -5.140 4.637 -8.006 501 H GLY 80 H GLY 80 -5.594 3.182 -6.403 502 1HA GLY 80 1HA GLY 80 -5.470 1.741 -3.900 503 2HA GLY 80 2HA GLY 80 -7.057 2.459 -4.158 504 H THR 81 H THR 81 -4.748 0.099 -5.430 505 HA THR 81 HA THR 81 -6.873 -0.878 -7.296 506 HB THR 81 HB THR 81 -5.246 -1.492 -8.769 507 HG1 THR 81 HG1 THR 81 -3.921 -2.964 -8.135 508 1HG2 THR 81 1HG2 THR 81 -4.616 0.832 -8.166 509 2HG2 THR 81 2HG2 THR 81 -3.506 0.197 -6.954 510 3HG2 THR 81 3HG2 THR 81 -3.222 -0.130 -8.664 511 H ASP 82 H ASP 82 -6.304 -3.440 -7.666 512 HA ASP 82 HA ASP 82 -5.874 -4.830 -5.105 513 1HB ASP 82 1HB ASP 82 -8.519 -4.285 -6.142 514 2HB ASP 82 2HB ASP 82 -8.211 -6.022 -6.172 515 H VAL 83 H VAL 83 -5.121 -6.983 -5.513 516 HA VAL 83 HA VAL 83 -5.104 -7.765 -8.392 517 HB VAL 83 HB VAL 83 -2.861 -7.497 -8.382 518 1HG1 VAL 83 1HG1 VAL 83 -3.434 -6.361 -5.903 519 2HG1 VAL 83 2HG1 VAL 83 -2.231 -7.602 -5.525 520 3HG1 VAL 83 3HG1 VAL 83 -1.870 -6.341 -6.707 521 1HG2 VAL 83 1HG2 VAL 83 -3.047 -9.947 -7.955 522 2HG2 VAL 83 2HG2 VAL 83 -1.554 -9.255 -7.322 523 3HG2 VAL 83 3HG2 VAL 83 -2.890 -9.617 -6.228 524 H GLN 84 H GLN 84 -5.333 -9.984 -8.785 525 HA GLN 84 HA GLN 84 -6.077 -11.604 -6.386 526 1HB GLN 84 1HB GLN 84 -7.405 -12.989 -7.979 527 2HB GLN 84 2HB GLN 84 -7.938 -11.309 -7.947 528 1HG GLN 84 1HG GLN 84 -5.994 -11.271 -9.906 529 2HG GLN 84 2HG GLN 84 -6.739 -12.850 -10.142 530 1HE2 GLN 84 2HE2 GLN 84 -7.241 -9.400 -10.448 531 2HE2 GLN 84 1HE2 GLN 84 -8.799 -9.490 -11.115 532 H VAL 85 H VAL 85 -3.834 -12.200 -6.027 533 HA VAL 85 HA VAL 85 -2.260 -13.483 -8.073 534 HB VAL 85 HB VAL 85 -2.004 -13.694 -5.059 535 1HG1 VAL 85 1HG1 VAL 85 -0.775 -15.379 -6.566 536 2HG1 VAL 85 2HG1 VAL 85 0.155 -14.000 -7.152 537 3HG1 VAL 85 3HG1 VAL 85 0.220 -14.446 -5.447 538 1HG2 VAL 85 1HG2 VAL 85 -1.729 -11.458 -6.767 539 2HG2 VAL 85 2HG2 VAL 85 -1.218 -11.582 -5.085 540 3HG2 VAL 85 3HG2 VAL 85 -0.092 -11.981 -6.380 541 H GLU 86 H GLU 86 -2.242 -15.603 -8.703 542 HA GLU 86 HA GLU 86 -4.035 -17.478 -7.206 543 1HB GLU 86 1HB GLU 86 -3.214 -17.678 -10.112 544 2HB GLU 86 2HB GLU 86 -4.490 -18.580 -9.292 545 1HG GLU 86 1HG GLU 86 -4.518 -15.562 -9.532 546 2HG GLU 86 2HG GLU 86 -5.281 -16.621 -10.718 547 H ALA 87 H ALA 87 -3.338 -19.789 -7.308 548 HA ALA 87 HA ALA 87 -0.370 -20.062 -7.563 549 1HB ALA 87 1HB ALA 87 -2.199 -20.984 -5.349 550 2HB ALA 87 2HB ALA 87 -0.661 -21.791 -5.652 551 3HB ALA 87 3HB ALA 87 -0.690 -20.081 -5.224 Start of MODEL 8 1 H ALA 8 H ALA 8 -4.126 9.541 -8.441 2 HA ALA 8 HA ALA 8 -3.841 10.252 -11.322 3 1HB ALA 8 1HB ALA 8 -2.064 8.819 -9.346 4 2HB ALA 8 2HB ALA 8 -1.810 8.654 -11.085 5 3HB ALA 8 3HB ALA 8 -1.703 10.241 -10.324 6 H THR 9 H THR 9 -3.805 8.476 -12.880 7 HA THR 9 HA THR 9 -5.937 6.601 -12.404 8 HB THR 9 HB THR 9 -5.054 7.651 -14.652 9 HG1 THR 9 HG1 THR 9 -5.766 4.933 -14.721 10 1HG2 THR 9 1HG2 THR 9 -2.819 6.330 -14.184 11 2HG2 THR 9 2HG2 THR 9 -3.713 4.990 -14.898 12 3HG2 THR 9 3HG2 THR 9 -3.444 6.464 -15.827 13 H LEU 10 H LEU 10 -5.820 4.388 -12.227 14 HA LEU 10 HA LEU 10 -3.480 3.365 -10.770 15 1HB LEU 10 1HB LEU 10 -6.143 2.110 -11.554 16 2HB LEU 10 2HB LEU 10 -4.944 1.337 -10.526 17 HG LEU 10 HG LEU 10 -5.153 3.229 -8.921 18 1HD1 LEU 10 1HD1 LEU 10 -7.287 4.110 -10.875 19 2HD1 LEU 10 2HD1 LEU 10 -7.255 4.650 -9.195 20 3HD1 LEU 10 3HD1 LEU 10 -5.919 5.049 -10.272 21 1HD2 LEU 10 1HD2 LEU 10 -6.820 1.067 -9.293 22 2HD2 LEU 10 2HD2 LEU 10 -6.797 2.098 -7.864 23 3HD2 LEU 10 3HD2 LEU 10 -7.956 2.409 -9.155 24 H VAL 11 H VAL 11 -1.780 2.814 -12.207 25 HA VAL 11 HA VAL 11 -2.567 0.974 -14.438 26 HB VAL 11 HB VAL 11 -0.023 2.603 -14.371 27 1HG1 VAL 11 1HG1 VAL 11 -1.347 0.680 -16.156 28 2HG1 VAL 11 2HG1 VAL 11 -0.878 2.168 -16.976 29 3HG1 VAL 11 3HG1 VAL 11 0.335 1.207 -16.130 30 1HG2 VAL 11 1HG2 VAL 11 -2.812 3.393 -15.066 31 2HG2 VAL 11 2HG2 VAL 11 -1.469 4.390 -14.508 32 3HG2 VAL 11 3HG2 VAL 11 -1.551 3.884 -16.197 33 H GLY 12 H GLY 12 -2.209 -1.043 -13.574 34 1HA GLY 12 1HA GLY 12 0.428 -1.479 -12.221 35 2HA GLY 12 2HA GLY 12 -1.033 -2.372 -11.798 36 HA PRO 13 HA PRO 13 0.317 -3.896 -16.173 37 1HB PRO 13 1HB PRO 13 2.810 -3.074 -16.993 38 2HB PRO 13 2HB PRO 13 1.307 -2.221 -17.387 39 1HG PRO 13 1HG PRO 13 3.395 -1.521 -15.359 40 2HG PRO 13 2HG PRO 13 2.343 -0.449 -16.302 41 1HD PRO 13 1HD PRO 13 1.925 -1.120 -13.624 42 2HD PRO 13 2HD PRO 13 0.674 -0.510 -14.723 43 H HIS 14 H HIS 14 1.456 -5.773 -16.665 44 HA HIS 14 HA HIS 14 3.856 -6.807 -15.931 45 1HB HIS 14 1HB HIS 14 3.507 -6.370 -13.572 46 2HB HIS 14 2HB HIS 14 1.933 -7.165 -13.618 47 HD1 HIS 14 HD1 HIS 14 1.922 -9.773 -13.885 48 HD2 HIS 14 HD2 HIS 14 5.720 -8.117 -13.451 49 HE1 HIS 14 HE1 HIS 14 3.494 -11.700 -13.416 50 H GLY 15 H GLY 15 0.436 -7.513 -15.731 51 1HA GLY 15 1HA GLY 15 -0.516 -9.061 -17.446 52 2HA GLY 15 2HA GLY 15 0.924 -10.060 -17.217 53 HA PRO 16 HA PRO 16 -1.976 -11.966 -14.336 54 1HB PRO 16 1HB PRO 16 -0.784 -14.433 -14.474 55 2HB PRO 16 2HB PRO 16 -1.993 -13.867 -15.640 56 1HG PRO 16 1HG PRO 16 0.960 -14.138 -15.984 57 2HG PRO 16 2HG PRO 16 -0.321 -14.197 -17.207 58 1HD PRO 16 1HD PRO 16 1.366 -11.984 -16.682 59 2HD PRO 16 2HD PRO 16 -0.124 -11.954 -17.651 60 H LEU 17 H LEU 17 -1.623 -12.505 -12.116 61 HA LEU 17 HA LEU 17 1.200 -12.146 -11.197 62 1HB LEU 17 1HB LEU 17 -1.427 -11.232 -10.126 63 2HB LEU 17 2HB LEU 17 -0.208 -11.710 -8.946 64 HG LEU 17 HG LEU 17 -0.084 -9.286 -9.491 65 1HD1 LEU 17 1HD1 LEU 17 2.259 -10.960 -10.443 66 2HD1 LEU 17 2HD1 LEU 17 2.349 -9.250 -10.024 67 3HD1 LEU 17 3HD1 LEU 17 1.952 -10.442 -8.786 68 1HD2 LEU 17 1HD2 LEU 17 -0.797 -9.820 -11.954 69 2HD2 LEU 17 2HD2 LEU 17 0.331 -8.497 -11.658 70 3HD2 LEU 17 3HD2 LEU 17 0.931 -10.058 -12.215 71 H ALA 18 H ALA 18 1.950 -14.235 -10.991 72 HA ALA 18 HA ALA 18 0.200 -16.289 -9.795 73 1HB ALA 18 1HB ALA 18 1.927 -16.622 -11.735 74 2HB ALA 18 2HB ALA 18 3.113 -16.694 -10.431 75 3HB ALA 18 3HB ALA 18 1.793 -17.863 -10.489 76 H SER 19 H SER 19 1.127 -17.595 -7.937 77 HA SER 19 HA SER 19 1.665 -15.950 -5.700 78 1HB SER 19 1HB SER 19 0.894 -18.105 -5.169 79 2HB SER 19 2HB SER 19 2.049 -18.886 -6.246 80 HG SER 19 HG SER 19 3.044 -17.317 -4.160 81 H GLY 20 H GLY 20 3.473 -14.833 -5.203 82 1HA GLY 20 1HA GLY 20 5.797 -14.479 -4.845 83 2HA GLY 20 2HA GLY 20 6.125 -16.010 -5.660 84 H GLN 21 H GLN 21 4.336 -13.120 -6.751 85 HA GLN 21 HA GLN 21 6.230 -13.005 -9.071 86 1HB GLN 21 1HB GLN 21 3.776 -13.727 -9.469 87 2HB GLN 21 2HB GLN 21 3.381 -12.034 -9.180 88 1HG GLN 21 1HG GLN 21 3.849 -11.688 -11.359 89 2HG GLN 21 2HG GLN 21 5.542 -11.911 -10.926 90 1HE2 GLN 21 2HE2 GLN 21 5.688 -12.808 -13.228 91 2HE2 GLN 21 1HE2 GLN 21 5.293 -14.441 -13.469 92 H LEU 22 H LEU 22 6.794 -10.936 -9.858 93 HA LEU 22 HA LEU 22 6.394 -8.715 -7.906 94 1HB LEU 22 1HB LEU 22 8.750 -9.577 -8.519 95 2HB LEU 22 2HB LEU 22 8.481 -8.839 -10.094 96 HG LEU 22 HG LEU 22 9.718 -7.367 -8.462 97 1HD1 LEU 22 1HD1 LEU 22 8.028 -6.610 -10.376 98 2HD1 LEU 22 2HD1 LEU 22 7.100 -6.024 -8.996 99 3HD1 LEU 22 3HD1 LEU 22 8.735 -5.432 -9.272 100 1HD2 LEU 22 1HD2 LEU 22 7.610 -8.186 -6.750 101 2HD2 LEU 22 2HD2 LEU 22 8.929 -7.076 -6.380 102 3HD2 LEU 22 3HD2 LEU 22 7.405 -6.452 -7.016 103 H ALA 23 H ALA 23 4.468 -7.799 -8.708 104 HA ALA 23 HA ALA 23 4.136 -7.294 -11.578 105 1HB ALA 23 1HB ALA 23 2.528 -6.946 -9.116 106 2HB ALA 23 2HB ALA 23 2.264 -5.720 -10.356 107 3HB ALA 23 3HB ALA 23 2.015 -7.425 -10.734 108 H ALA 24 H ALA 24 4.046 -5.029 -12.466 109 HA ALA 24 HA ALA 24 5.653 -3.169 -10.752 110 1HB ALA 24 1HB ALA 24 5.783 -3.600 -13.748 111 2HB ALA 24 2HB ALA 24 6.575 -2.263 -12.911 112 3HB ALA 24 3HB ALA 24 7.054 -3.929 -12.564 113 H PHE 25 H PHE 25 4.413 -1.493 -10.156 114 HA PHE 25 HA PHE 25 2.028 -0.835 -11.791 115 1HB PHE 25 1HB PHE 25 2.835 -0.206 -8.953 116 2HB PHE 25 2HB PHE 25 1.431 0.508 -9.731 117 HD1 PHE 25 HD1 PHE 25 2.925 -2.961 -9.553 118 HD2 PHE 25 HD2 PHE 25 -0.550 -0.438 -9.135 119 HE1 PHE 25 HE1 PHE 25 1.538 -4.943 -8.990 120 HE2 PHE 25 HE2 PHE 25 -1.920 -2.435 -8.572 121 HZ PHE 25 HZ PHE 25 -0.877 -4.680 -8.501 122 H HIS 26 H HIS 26 1.373 1.531 -11.540 123 HA HIS 26 HA HIS 26 3.276 3.618 -11.289 124 1HB HIS 26 1HB HIS 26 4.109 3.971 -13.372 125 2HB HIS 26 2HB HIS 26 3.712 2.281 -13.644 126 HD1 HIS 26 HD1 HIS 26 2.542 2.003 -15.809 127 HD2 HIS 26 HD2 HIS 26 1.524 5.598 -13.992 128 HE1 HIS 26 HE1 HIS 26 0.937 3.170 -17.381 129 H ILE 27 H ILE 27 2.156 5.613 -11.302 130 HA ILE 27 HA ILE 27 -0.786 5.359 -11.773 131 HB ILE 27 HB ILE 27 0.097 7.665 -10.172 132 1HG1 ILE 27 1HG1 ILE 27 1.558 5.397 -9.609 133 2HG1 ILE 27 2HG1 ILE 27 1.151 6.635 -8.429 134 1HG2 ILE 27 1HG2 ILE 27 -1.886 5.401 -9.825 135 2HG2 ILE 27 2HG2 ILE 27 -1.711 6.730 -8.676 136 3HG2 ILE 27 3HG2 ILE 27 -2.240 7.052 -10.335 137 1HD1 ILE 27 1HD1 ILE 27 -0.657 4.270 -9.022 138 2HD1 ILE 27 2HD1 ILE 27 0.559 4.268 -7.738 139 3HD1 ILE 27 3HD1 ILE 27 -0.769 5.419 -7.679 140 H ALA 28 H ALA 28 -1.853 7.227 -12.808 141 HA ALA 28 HA ALA 28 0.125 8.989 -14.233 142 1HB ALA 28 1HB ALA 28 -1.172 6.948 -15.451 143 2HB ALA 28 2HB ALA 28 -2.319 8.262 -15.716 144 3HB ALA 28 3HB ALA 28 -0.655 8.415 -16.283 145 H ALA 29 H ALA 29 -0.288 11.107 -13.967 146 HA ALA 29 HA ALA 29 -2.696 12.411 -14.503 147 1HB ALA 29 1HB ALA 29 -2.593 11.321 -11.762 148 2HB ALA 29 2HB ALA 29 -3.053 13.019 -11.871 149 3HB ALA 29 3HB ALA 29 -3.985 11.796 -12.734 150 HA PRO 30 HA PRO 30 -0.002 15.561 -12.234 151 1HB PRO 30 1HB PRO 30 1.798 14.677 -10.350 152 2HB PRO 30 2HB PRO 30 0.121 15.110 -9.973 153 1HG PRO 30 1HG PRO 30 1.362 12.407 -10.184 154 2HG PRO 30 2HG PRO 30 -0.034 12.929 -9.230 155 1HD PRO 30 1HD PRO 30 -0.149 11.513 -11.665 156 2HD PRO 30 2HD PRO 30 -1.498 12.368 -10.888 157 H LEU 31 H LEU 31 0.818 15.150 -14.482 158 HA LEU 31 HA LEU 31 2.841 13.675 -15.469 159 1HB LEU 31 1HB LEU 31 1.977 16.426 -15.916 160 2HB LEU 31 2HB LEU 31 3.671 16.169 -16.338 161 HG LEU 31 HG LEU 31 2.406 13.902 -17.330 162 1HD1 LEU 31 1HD1 LEU 31 0.244 15.199 -16.860 163 2HD1 LEU 31 2HD1 LEU 31 0.752 16.300 -18.141 164 3HD1 LEU 31 3HD1 LEU 31 0.454 14.600 -18.505 165 1HD2 LEU 31 1HD2 LEU 31 3.327 16.506 -18.543 166 2HD2 LEU 31 2HD2 LEU 31 4.123 14.934 -18.579 167 3HD2 LEU 31 3HD2 LEU 31 2.682 15.215 -19.557 168 HA PRO 32 HA PRO 32 6.428 16.106 -13.494 169 1HB PRO 32 1HB PRO 32 5.835 18.124 -11.728 170 2HB PRO 32 2HB PRO 32 6.010 18.364 -13.474 171 1HG PRO 32 1HG PRO 32 3.527 18.314 -11.826 172 2HG PRO 32 2HG PRO 32 3.831 19.123 -13.372 173 1HD PRO 32 1HD PRO 32 2.421 16.692 -13.009 174 2HD PRO 32 2HD PRO 32 2.989 17.358 -14.555 175 H VAL 33 H VAL 33 5.598 13.800 -12.356 176 HA VAL 33 HA VAL 33 5.198 14.151 -9.451 177 HB VAL 33 HB VAL 33 5.588 11.646 -11.121 178 1HG1 VAL 33 1HG1 VAL 33 5.027 12.077 -8.177 179 2HG1 VAL 33 2HG1 VAL 33 4.726 10.543 -8.995 180 3HG1 VAL 33 3HG1 VAL 33 6.366 11.184 -8.895 181 1HG2 VAL 33 1HG2 VAL 33 3.285 13.302 -10.368 182 2HG2 VAL 33 2HG2 VAL 33 3.419 12.069 -11.622 183 3HG2 VAL 33 3HG2 VAL 33 3.086 11.600 -9.955 184 H THR 34 H THR 34 6.725 13.409 -7.877 185 HA THR 34 HA THR 34 9.500 13.036 -8.902 186 HB THR 34 HB THR 34 9.460 15.265 -8.018 187 HG1 THR 34 HG1 THR 34 11.234 14.692 -7.082 188 1HG2 THR 34 1HG2 THR 34 7.273 14.806 -6.738 189 2HG2 THR 34 2HG2 THR 34 8.304 14.224 -5.432 190 3HG2 THR 34 3HG2 THR 34 8.432 15.896 -5.978 191 H ALA 35 H ALA 35 7.147 12.286 -6.434 192 HA ALA 35 HA ALA 35 8.478 9.727 -5.928 193 1HB ALA 35 1HB ALA 35 8.838 12.009 -4.160 194 2HB ALA 35 2HB ALA 35 8.050 10.672 -3.323 195 3HB ALA 35 3HB ALA 35 9.612 10.424 -4.104 196 H THR 36 H THR 36 7.012 8.214 -5.223 197 HA THR 36 HA THR 36 4.273 9.195 -4.512 198 HB THR 36 HB THR 36 4.036 8.344 -6.730 199 HG1 THR 36 HG1 THR 36 2.832 6.453 -6.352 200 1HG2 THR 36 1HG2 THR 36 6.320 7.231 -6.683 201 2HG2 THR 36 2HG2 THR 36 5.541 5.864 -5.891 202 3HG2 THR 36 3HG2 THR 36 5.057 6.330 -7.522 203 H ARG 37 H ARG 37 3.166 7.839 -2.988 204 HA ARG 37 HA ARG 37 4.956 5.864 -1.645 205 1HB ARG 37 1HB ARG 37 3.656 8.152 -0.567 206 2HB ARG 37 2HB ARG 37 2.839 6.732 0.089 207 1HG ARG 37 1HG ARG 37 4.573 6.897 1.602 208 2HG ARG 37 2HG ARG 37 5.350 5.883 0.386 209 1HD ARG 37 1HD ARG 37 6.963 7.485 0.402 210 2HD ARG 37 2HD ARG 37 5.836 8.383 -0.615 211 HE ARG 37 HE ARG 37 5.134 8.912 2.072 212 1HH1 ARG 37 1HH1 ARG 37 8.308 8.824 1.102 213 2HH1 ARG 37 2HH1 ARG 37 8.620 10.514 1.308 214 1HH2 ARG 37 1HH2 ARG 37 5.293 11.340 1.825 215 2HH2 ARG 37 2HH2 ARG 37 6.914 11.939 1.719 216 H TRP 38 H TRP 38 4.243 3.931 -2.439 217 HA TRP 38 HA TRP 38 1.349 3.479 -2.839 218 1HB TRP 38 1HB TRP 38 3.672 1.578 -3.200 219 2HB TRP 38 2HB TRP 38 2.012 1.276 -3.678 220 HD1 TRP 38 HD1 TRP 38 4.709 3.972 -4.387 221 HE1 TRP 38 HE1 TRP 38 4.554 4.557 -6.894 222 HE3 TRP 38 HE3 TRP 38 0.756 1.053 -5.744 223 HZ2 TRP 38 HZ2 TRP 38 2.971 3.888 -9.166 224 HZ3 TRP 38 HZ3 TRP 38 -0.061 1.047 -8.081 225 HH2 TRP 38 HH2 TRP 38 1.040 2.461 -9.792 226 H ASP 39 H ASP 39 0.738 1.124 -2.101 227 HA ASP 39 HA ASP 39 1.851 0.383 0.507 228 1HB ASP 39 1HB ASP 39 -0.637 1.884 0.241 229 2HB ASP 39 2HB ASP 39 -0.919 0.305 0.976 230 H PHE 40 H PHE 40 2.337 -1.669 -0.234 231 HA PHE 40 HA PHE 40 0.483 -3.043 -2.029 232 1HB PHE 40 1HB PHE 40 2.788 -4.358 -0.595 233 2HB PHE 40 2HB PHE 40 2.042 -4.810 -2.122 234 HD1 PHE 40 HD1 PHE 40 1.934 -1.643 -2.897 235 HD2 PHE 40 HD2 PHE 40 4.981 -4.464 -1.769 236 HE1 PHE 40 HE1 PHE 40 3.623 -0.341 -4.161 237 HE2 PHE 40 HE2 PHE 40 6.661 -3.151 -3.024 238 HZ PHE 40 HZ PHE 40 5.982 -1.095 -4.224 239 H GLY 41 H GLY 41 1.779 -3.976 1.178 240 1HA GLY 41 1HA GLY 41 0.424 -4.725 3.024 241 2HA GLY 41 2HA GLY 41 -0.943 -4.901 1.919 242 H ASP 42 H ASP 42 2.050 -6.130 0.756 243 HA ASP 42 HA ASP 42 1.101 -8.904 1.265 244 1HB ASP 42 1HB ASP 42 2.916 -9.349 -0.600 245 2HB ASP 42 2HB ASP 42 1.324 -8.756 -1.057 246 H GLY 43 H GLY 43 4.362 -8.413 0.299 247 1HA GLY 43 1HA GLY 43 5.284 -9.331 2.931 248 2HA GLY 43 2HA GLY 43 6.289 -9.136 1.490 249 H SER 44 H SER 44 4.844 -6.406 1.161 250 HA SER 44 HA SER 44 6.252 -4.909 3.320 251 1HB SER 44 1HB SER 44 6.310 -4.038 0.426 252 2HB SER 44 2HB SER 44 7.277 -3.425 1.765 253 HG SER 44 HG SER 44 7.423 -5.935 0.461 254 H ALA 45 H ALA 45 4.869 -3.449 4.221 255 HA ALA 45 HA ALA 45 2.245 -3.020 3.013 256 1HB ALA 45 1HB ALA 45 3.563 -2.145 5.569 257 2HB ALA 45 2HB ALA 45 2.020 -1.453 5.066 258 3HB ALA 45 3HB ALA 45 2.157 -3.187 5.356 259 H GLU 46 H GLU 46 4.070 -0.449 4.514 260 HA GLU 46 HA GLU 46 3.236 1.570 2.709 261 1HB GLU 46 1HB GLU 46 5.073 2.925 3.674 262 2HB GLU 46 2HB GLU 46 4.169 2.079 4.930 263 1HG GLU 46 1HG GLU 46 5.907 0.646 5.412 264 2HG GLU 46 2HG GLU 46 6.519 0.663 3.759 265 H VAL 47 H VAL 47 4.403 2.636 0.994 266 HA VAL 47 HA VAL 47 6.701 1.094 -0.126 267 HB VAL 47 HB VAL 47 4.315 2.051 -1.727 268 1HG1 VAL 47 1HG1 VAL 47 6.608 1.877 -2.826 269 2HG1 VAL 47 2HG1 VAL 47 6.528 0.144 -2.508 270 3HG1 VAL 47 3HG1 VAL 47 5.334 0.904 -3.557 271 1HG2 VAL 47 1HG2 VAL 47 4.099 0.033 -0.031 272 2HG2 VAL 47 2HG2 VAL 47 3.435 -0.088 -1.655 273 3HG2 VAL 47 3HG2 VAL 47 4.988 -0.834 -1.281 274 H ASP 48 H ASP 48 8.334 2.532 -0.412 275 HA ASP 48 HA ASP 48 7.649 5.374 -1.015 276 1HB ASP 48 1HB ASP 48 10.209 4.063 -0.044 277 2HB ASP 48 2HB ASP 48 10.089 5.767 -0.485 278 H ALA 49 H ALA 49 7.355 5.416 -3.242 279 HA ALA 49 HA ALA 49 9.497 4.162 -4.912 280 1HB ALA 49 1HB ALA 49 6.708 3.922 -5.031 281 2HB ALA 49 2HB ALA 49 7.139 4.974 -6.381 282 3HB ALA 49 3HB ALA 49 7.869 3.373 -6.241 283 H ALA 50 H ALA 50 9.847 5.312 -7.045 284 HA ALA 50 HA ALA 50 10.064 8.235 -6.535 285 1HB ALA 50 1HB ALA 50 12.134 6.916 -7.100 286 2HB ALA 50 2HB ALA 50 11.425 6.583 -8.681 287 3HB ALA 50 3HB ALA 50 11.806 8.241 -8.217 288 H GLY 51 H GLY 51 9.503 9.723 -8.251 289 1HA GLY 51 1HA GLY 51 7.889 10.542 -9.753 290 2HA GLY 51 2HA GLY 51 8.421 9.188 -10.753 291 HA PRO 52 HA PRO 52 4.124 8.172 -9.666 292 1HB PRO 52 1HB PRO 52 3.283 7.877 -12.258 293 2HB PRO 52 2HB PRO 52 3.284 9.436 -11.416 294 1HG PRO 52 1HG PRO 52 5.070 8.490 -13.589 295 2HG PRO 52 2HG PRO 52 4.727 10.147 -13.066 296 1HD PRO 52 1HD PRO 52 7.046 8.561 -12.430 297 2HD PRO 52 2HD PRO 52 6.665 10.200 -11.856 298 H ALA 53 H ALA 53 6.481 6.278 -9.735 299 HA ALA 53 HA ALA 53 4.979 3.981 -10.911 300 1HB ALA 53 1HB ALA 53 7.371 5.112 -12.016 301 2HB ALA 53 2HB ALA 53 7.698 3.470 -11.460 302 3HB ALA 53 3HB ALA 53 6.397 3.768 -12.615 303 H ALA 54 H ALA 54 5.608 1.906 -10.153 304 HA ALA 54 HA ALA 54 7.566 1.515 -8.051 305 1HB ALA 54 1HB ALA 54 4.624 1.552 -7.297 306 2HB ALA 54 2HB ALA 54 5.915 0.939 -6.264 307 3HB ALA 54 3HB ALA 54 5.864 2.649 -6.693 308 H SER 55 H SER 55 6.568 -0.791 -6.903 309 HA SER 55 HA SER 55 5.369 -2.484 -8.975 310 1HB SER 55 1HB SER 55 7.173 -3.865 -9.439 311 2HB SER 55 2HB SER 55 7.925 -2.276 -9.403 312 HG SER 55 HG SER 55 8.548 -2.692 -7.261 313 H HIS 56 H HIS 56 4.427 -4.300 -8.106 314 HA HIS 56 HA HIS 56 4.440 -4.437 -5.144 315 1HB HIS 56 1HB HIS 56 2.550 -5.189 -7.317 316 2HB HIS 56 2HB HIS 56 2.485 -6.113 -5.816 317 HD1 HIS 56 HD1 HIS 56 2.603 -2.433 -6.843 318 HD2 HIS 56 HD2 HIS 56 0.980 -4.877 -3.893 319 HE1 HIS 56 HE1 HIS 56 1.183 -0.939 -5.368 320 H ARG 57 H ARG 57 4.909 -6.282 -4.021 321 HA ARG 57 HA ARG 57 6.069 -8.558 -5.579 322 1HB ARG 57 1HB ARG 57 7.399 -9.014 -3.478 323 2HB ARG 57 2HB ARG 57 7.810 -7.491 -4.263 324 1HG ARG 57 1HG ARG 57 5.671 -6.925 -2.489 325 2HG ARG 57 2HG ARG 57 6.812 -7.929 -1.596 326 1HD ARG 57 1HD ARG 57 7.293 -5.459 -1.458 327 2HD ARG 57 2HD ARG 57 8.631 -6.420 -2.084 328 HE ARG 57 HE ARG 57 6.789 -5.120 -4.025 329 1HH1 ARG 57 1HH1 ARG 57 9.527 -4.461 -2.156 330 2HH1 ARG 57 2HH1 ARG 57 10.512 -3.947 -3.485 331 1HH2 ARG 57 1HH2 ARG 57 8.198 -4.859 -5.902 332 2HH2 ARG 57 2HH2 ARG 57 9.760 -4.173 -5.606 333 H TYR 58 H TYR 58 4.055 -9.688 -5.700 334 HA TYR 58 HA TYR 58 2.671 -10.255 -3.139 335 1HB TYR 58 1HB TYR 58 1.984 -10.731 -6.044 336 2HB TYR 58 2HB TYR 58 1.014 -11.402 -4.733 337 HD1 TYR 58 HD1 TYR 58 0.737 -9.606 -2.711 338 HD2 TYR 58 HD2 TYR 58 1.141 -8.719 -6.888 339 HE1 TYR 58 HE1 TYR 58 -0.400 -7.441 -2.356 340 HE2 TYR 58 HE2 TYR 58 -0.002 -6.546 -6.531 341 HH TYR 58 HH TYR 58 -0.921 -5.493 -3.261 342 H VAL 59 H VAL 59 2.707 -12.245 -2.145 343 HA VAL 59 HA VAL 59 4.279 -14.379 -3.531 344 HB VAL 59 HB VAL 59 5.581 -13.373 -1.718 345 1HG1 VAL 59 1HG1 VAL 59 3.147 -13.080 -0.442 346 2HG1 VAL 59 2HG1 VAL 59 3.887 -14.408 0.450 347 3HG1 VAL 59 3HG1 VAL 59 4.722 -12.861 0.318 348 1HG2 VAL 59 1HG2 VAL 59 5.522 -15.911 -2.219 349 2HG2 VAL 59 2HG2 VAL 59 6.229 -15.402 -0.685 350 3HG2 VAL 59 3HG2 VAL 59 4.588 -16.047 -0.729 351 H LEU 60 H LEU 60 1.532 -13.711 -1.359 352 HA LEU 60 HA LEU 60 0.906 -16.609 -1.320 353 1HB LEU 60 1HB LEU 60 0.549 -14.543 0.528 354 2HB LEU 60 2HB LEU 60 -1.074 -14.863 -0.086 355 HG LEU 60 HG LEU 60 0.196 -17.381 0.317 356 1HD1 LEU 60 1HD1 LEU 60 0.934 -15.319 2.283 357 2HD1 LEU 60 2HD1 LEU 60 0.185 -16.746 2.999 358 3HD1 LEU 60 3HD1 LEU 60 1.635 -16.914 2.010 359 1HD2 LEU 60 1HD2 LEU 60 -2.271 -16.351 0.571 360 2HD2 LEU 60 2HD2 LEU 60 -1.791 -17.836 1.392 361 3HD2 LEU 60 3HD2 LEU 60 -1.788 -16.304 2.267 362 HA PRO 61 HA PRO 61 -2.033 -16.169 -4.561 363 1HB PRO 61 1HB PRO 61 -3.448 -18.476 -4.081 364 2HB PRO 61 2HB PRO 61 -1.845 -18.451 -4.835 365 1HG PRO 61 1HG PRO 61 -2.601 -19.258 -2.067 366 2HG PRO 61 2HG PRO 61 -1.217 -19.771 -3.047 367 1HD PRO 61 1HD PRO 61 -1.159 -17.862 -0.954 368 2HD PRO 61 2HD PRO 61 0.132 -18.155 -2.140 369 H GLY 62 H GLY 62 -3.670 -14.672 -4.379 370 1HA GLY 62 1HA GLY 62 -6.209 -15.150 -3.346 371 2HA GLY 62 2HA GLY 62 -5.313 -14.448 -1.999 372 H ARG 63 H ARG 63 -6.708 -12.559 -2.112 373 HA ARG 63 HA ARG 63 -6.125 -10.814 -4.467 374 1HB ARG 63 1HB ARG 63 -8.487 -10.656 -2.576 375 2HB ARG 63 2HB ARG 63 -8.235 -9.681 -4.024 376 1HG ARG 63 1HG ARG 63 -8.078 -11.966 -5.259 377 2HG ARG 63 2HG ARG 63 -8.863 -12.620 -3.822 378 1HD ARG 63 1HD ARG 63 -9.929 -10.355 -5.536 379 2HD ARG 63 2HD ARG 63 -10.534 -12.011 -5.531 380 HE ARG 63 HE ARG 63 -11.494 -10.095 -3.787 381 1HH1 ARG 63 1HH1 ARG 63 -11.254 -13.366 -3.860 382 2HH1 ARG 63 2HH1 ARG 63 -11.211 -13.616 -2.147 383 1HH2 ARG 63 1HH2 ARG 63 -10.776 -10.257 -1.401 384 2HH2 ARG 63 2HH2 ARG 63 -10.942 -11.855 -0.754 385 H TYR 64 H TYR 64 -4.828 -9.118 -4.024 386 HA TYR 64 HA TYR 64 -4.521 -8.262 -1.176 387 1HB TYR 64 1HB TYR 64 -2.743 -7.919 -3.602 388 2HB TYR 64 2HB TYR 64 -2.437 -7.135 -2.056 389 HD1 TYR 64 HD1 TYR 64 -2.877 -10.468 -3.674 390 HD2 TYR 64 HD2 TYR 64 -1.348 -8.286 -0.302 391 HE1 TYR 64 HE1 TYR 64 -1.688 -12.496 -2.897 392 HE2 TYR 64 HE2 TYR 64 -0.166 -10.317 0.477 393 HH TYR 64 HH TYR 64 0.368 -12.417 0.018 394 H HIS 65 H HIS 65 -4.388 -5.927 -0.782 395 HA HIS 65 HA HIS 65 -5.933 -4.362 -2.808 396 1HB HIS 65 1HB HIS 65 -7.128 -4.492 -0.700 397 2HB HIS 65 2HB HIS 65 -5.687 -4.004 0.194 398 HD1 HIS 65 HD1 HIS 65 -7.672 -2.578 -2.752 399 HD2 HIS 65 HD2 HIS 65 -5.772 -1.306 0.734 400 HE1 HIS 65 HE1 HIS 65 -7.997 -0.069 -2.635 401 H VAL 66 H VAL 66 -4.885 -2.690 -3.758 402 HA VAL 66 HA VAL 66 -2.230 -1.890 -2.653 403 HB VAL 66 HB VAL 66 -3.331 -1.669 -5.468 404 1HG1 VAL 66 1HG1 VAL 66 -0.640 -0.961 -4.256 405 2HG1 VAL 66 2HG1 VAL 66 -0.930 -1.092 -5.994 406 3HG1 VAL 66 3HG1 VAL 66 -1.774 0.135 -5.050 407 1HG2 VAL 66 1HG2 VAL 66 -1.583 -3.636 -4.047 408 2HG2 VAL 66 2HG2 VAL 66 -2.843 -3.924 -5.246 409 3HG2 VAL 66 3HG2 VAL 66 -1.273 -3.299 -5.753 410 H THR 67 H THR 67 -1.713 0.358 -2.608 411 HA THR 67 HA THR 67 -3.808 2.315 -3.294 412 HB THR 67 HB THR 67 -4.559 2.580 -1.182 413 HG1 THR 67 HG1 THR 67 -3.346 4.064 -0.371 414 1HG2 THR 67 1HG2 THR 67 -2.373 0.611 -0.485 415 2HG2 THR 67 2HG2 THR 67 -3.519 1.230 0.703 416 3HG2 THR 67 3HG2 THR 67 -4.097 0.287 -0.671 417 H ALA 68 H ALA 68 -2.893 4.543 -3.293 418 HA ALA 68 HA ALA 68 0.033 4.706 -2.875 419 1HB ALA 68 1HB ALA 68 -0.797 4.031 -5.377 420 2HB ALA 68 2HB ALA 68 -0.799 5.792 -5.499 421 3HB ALA 68 3HB ALA 68 0.679 4.940 -5.047 422 H VAL 69 H VAL 69 0.836 6.874 -2.902 423 HA VAL 69 HA VAL 69 -1.112 9.079 -3.074 424 HB VAL 69 HB VAL 69 -1.244 8.394 -0.722 425 1HG1 VAL 69 1HG1 VAL 69 1.405 7.687 -1.026 426 2HG1 VAL 69 2HG1 VAL 69 1.505 9.141 -0.034 427 3HG1 VAL 69 3HG1 VAL 69 0.543 7.766 0.510 428 1HG2 VAL 69 1HG2 VAL 69 0.316 10.933 -1.260 429 2HG2 VAL 69 2HG2 VAL 69 -1.432 10.763 -1.112 430 3HG2 VAL 69 3HG2 VAL 69 -0.403 10.554 0.304 431 H LEU 70 H LEU 70 -0.008 10.260 -4.603 432 HA LEU 70 HA LEU 70 2.940 10.295 -4.514 433 1HB LEU 70 1HB LEU 70 1.737 12.097 -6.462 434 2HB LEU 70 2HB LEU 70 2.872 10.778 -6.713 435 HG LEU 70 HG LEU 70 -0.133 10.512 -6.416 436 1HD1 LEU 70 1HD1 LEU 70 1.087 11.492 -8.537 437 2HD1 LEU 70 2HD1 LEU 70 1.477 9.798 -8.837 438 3HD1 LEU 70 3HD1 LEU 70 -0.209 10.309 -8.729 439 1HD2 LEU 70 1HD2 LEU 70 2.114 8.531 -6.614 440 2HD2 LEU 70 2HD2 LEU 70 0.643 8.447 -5.647 441 3HD2 LEU 70 3HD2 LEU 70 0.574 8.157 -7.386 442 H ALA 71 H ALA 71 4.168 12.243 -4.418 443 HA ALA 71 HA ALA 71 2.679 14.612 -3.385 444 1HB ALA 71 1HB ALA 71 5.234 13.451 -2.251 445 2HB ALA 71 2HB ALA 71 4.595 15.045 -1.844 446 3HB ALA 71 3HB ALA 71 3.678 13.593 -1.429 447 H LEU 72 H LEU 72 3.045 16.215 -4.740 448 HA LEU 72 HA LEU 72 5.578 16.277 -6.309 449 1HB LEU 72 1HB LEU 72 2.875 17.563 -6.722 450 2HB LEU 72 2HB LEU 72 4.278 17.919 -7.728 451 HG LEU 72 HG LEU 72 4.394 15.298 -7.993 452 1HD1 LEU 72 1HD1 LEU 72 1.508 15.803 -7.202 453 2HD1 LEU 72 2HD1 LEU 72 2.066 14.342 -8.016 454 3HD1 LEU 72 3HD1 LEU 72 2.652 14.727 -6.400 455 1HD2 LEU 72 1HD2 LEU 72 3.650 17.279 -9.620 456 2HD2 LEU 72 2HD2 LEU 72 3.427 15.591 -10.077 457 3HD2 LEU 72 3HD2 LEU 72 2.071 16.517 -9.435 458 H GLY 73 H GLY 73 3.943 17.747 -3.734 459 1HA GLY 73 1HA GLY 73 5.150 19.383 -2.340 460 2HA GLY 73 2HA GLY 73 5.814 20.074 -3.827 461 H ALA 74 H ALA 74 3.570 20.203 -5.423 462 HA ALA 74 HA ALA 74 1.819 22.101 -3.922 463 1HB ALA 74 1HB ALA 74 2.905 22.127 -6.726 464 2HB ALA 74 2HB ALA 74 1.404 22.976 -6.354 465 3HB ALA 74 3HB ALA 74 2.897 23.424 -5.530 466 H GLY 75 H GLY 75 1.888 19.092 -5.427 467 1HA GLY 75 1HA GLY 75 -1.063 19.000 -5.454 468 2HA GLY 75 2HA GLY 75 -0.256 18.629 -6.979 469 H SER 76 H SER 76 -1.816 16.686 -5.732 470 HA SER 76 HA SER 76 0.226 14.612 -5.214 471 1HB SER 76 1HB SER 76 -0.202 14.338 -3.008 472 2HB SER 76 2HB SER 76 -1.035 15.887 -3.067 473 HG SER 76 HG SER 76 -2.131 13.705 -2.411 474 H ALA 77 H ALA 77 -0.901 12.406 -5.074 475 HA ALA 77 HA ALA 77 -3.548 12.365 -6.415 476 1HB ALA 77 1HB ALA 77 -1.018 11.814 -7.716 477 2HB ALA 77 2HB ALA 77 -2.046 10.379 -7.723 478 3HB ALA 77 3HB ALA 77 -2.636 11.888 -8.419 479 H LEU 78 H LEU 78 -4.759 10.550 -5.821 480 HA LEU 78 HA LEU 78 -3.437 8.720 -3.872 481 1HB LEU 78 1HB LEU 78 -6.075 9.998 -4.024 482 2HB LEU 78 2HB LEU 78 -6.149 8.277 -3.644 483 HG LEU 78 HG LEU 78 -5.939 9.811 -1.631 484 1HD1 LEU 78 1HD1 LEU 78 -4.331 7.447 -2.309 485 2HD1 LEU 78 2HD1 LEU 78 -3.649 8.405 -0.996 486 3HD1 LEU 78 3HD1 LEU 78 -5.292 7.776 -0.869 487 1HD2 LEU 78 1HD2 LEU 78 -4.279 11.330 -2.855 488 2HD2 LEU 78 2HD2 LEU 78 -3.855 10.900 -1.197 489 3HD2 LEU 78 3HD2 LEU 78 -3.066 10.085 -2.548 490 H LEU 79 H LEU 79 -3.818 6.462 -4.011 491 HA LEU 79 HA LEU 79 -5.062 5.514 -6.542 492 1HB LEU 79 1HB LEU 79 -2.317 5.582 -6.065 493 2HB LEU 79 2HB LEU 79 -2.766 3.924 -5.677 494 HG LEU 79 HG LEU 79 -2.202 4.794 -8.183 495 1HD1 LEU 79 1HD1 LEU 79 -4.171 2.637 -7.408 496 2HD1 LEU 79 2HD1 LEU 79 -3.320 2.738 -8.948 497 3HD1 LEU 79 3HD1 LEU 79 -2.417 2.470 -7.458 498 1HD2 LEU 79 1HD2 LEU 79 -4.261 6.258 -8.082 499 2HD2 LEU 79 2HD2 LEU 79 -4.214 5.131 -9.440 500 3HD2 LEU 79 3HD2 LEU 79 -5.218 4.775 -8.033 501 H GLY 80 H GLY 80 -5.706 3.261 -6.456 502 1HA GLY 80 1HA GLY 80 -5.618 1.771 -3.980 503 2HA GLY 80 2HA GLY 80 -7.193 2.514 -4.232 504 H THR 81 H THR 81 -4.962 0.068 -5.424 505 HA THR 81 HA THR 81 -7.104 -0.868 -7.300 506 HB THR 81 HB THR 81 -5.525 -1.331 -8.859 507 HG1 THR 81 HG1 THR 81 -3.360 -2.002 -7.412 508 1HG2 THR 81 1HG2 THR 81 -4.808 0.917 -8.152 509 2HG2 THR 81 2HG2 THR 81 -3.722 0.198 -6.961 510 3HG2 THR 81 3HG2 THR 81 -3.431 -0.051 -8.683 511 H ASP 82 H ASP 82 -6.394 -3.439 -7.724 512 HA ASP 82 HA ASP 82 -5.925 -4.818 -5.160 513 1HB ASP 82 1HB ASP 82 -8.569 -4.662 -6.537 514 2HB ASP 82 2HB ASP 82 -8.076 -6.249 -5.946 515 H VAL 83 H VAL 83 -5.187 -7.016 -5.570 516 HA VAL 83 HA VAL 83 -4.967 -7.674 -8.474 517 HB VAL 83 HB VAL 83 -2.733 -7.406 -8.324 518 1HG1 VAL 83 1HG1 VAL 83 -3.469 -6.264 -5.923 519 2HG1 VAL 83 2HG1 VAL 83 -2.357 -7.544 -5.405 520 3HG1 VAL 83 3HG1 VAL 83 -1.826 -6.314 -6.551 521 1HG2 VAL 83 1HG2 VAL 83 -2.924 -9.870 -7.934 522 2HG2 VAL 83 2HG2 VAL 83 -1.470 -9.167 -7.222 523 3HG2 VAL 83 3HG2 VAL 83 -2.857 -9.555 -6.199 524 H GLN 84 H GLN 84 -5.265 -9.818 -8.993 525 HA GLN 84 HA GLN 84 -6.103 -11.596 -6.749 526 1HB GLN 84 1HB GLN 84 -7.152 -11.062 -9.377 527 2HB GLN 84 2HB GLN 84 -6.709 -12.765 -9.265 528 1HG GLN 84 1HG GLN 84 -7.933 -12.741 -6.993 529 2HG GLN 84 2HG GLN 84 -8.632 -11.214 -7.533 530 1HE2 GLN 84 2HE2 GLN 84 -8.196 -14.609 -8.677 531 2HE2 GLN 84 1HE2 GLN 84 -9.665 -14.665 -9.525 532 H VAL 85 H VAL 85 -3.891 -12.188 -6.213 533 HA VAL 85 HA VAL 85 -2.178 -13.382 -8.244 534 HB VAL 85 HB VAL 85 -1.981 -13.355 -5.219 535 1HG1 VAL 85 1HG1 VAL 85 -0.760 -15.246 -6.394 536 2HG1 VAL 85 2HG1 VAL 85 0.174 -14.014 -7.243 537 3HG1 VAL 85 3HG1 VAL 85 0.277 -14.145 -5.488 538 1HG2 VAL 85 1HG2 VAL 85 -1.358 -11.449 -7.344 539 2HG2 VAL 85 2HG2 VAL 85 -1.407 -11.199 -5.598 540 3HG2 VAL 85 3HG2 VAL 85 0.054 -11.828 -6.360 541 H GLU 86 H GLU 86 -1.955 -15.548 -8.719 542 HA GLU 86 HA GLU 86 -3.614 -17.461 -7.116 543 1HB GLU 86 1HB GLU 86 -3.081 -17.575 -10.099 544 2HB GLU 86 2HB GLU 86 -4.114 -18.665 -9.175 545 1HG GLU 86 1HG GLU 86 -4.556 -15.686 -9.547 546 2HG GLU 86 2HG GLU 86 -5.477 -16.974 -10.324 547 H ALA 87 H ALA 87 -2.634 -19.448 -6.643 548 HA ALA 87 HA ALA 87 0.268 -19.536 -6.848 549 1HB ALA 87 1HB ALA 87 -1.541 -20.633 -5.113 550 2HB ALA 87 2HB ALA 87 -1.143 -22.026 -6.118 551 3HB ALA 87 3HB ALA 87 0.133 -21.164 -5.260 Start of MODEL 9 1 H ALA 8 H ALA 8 -4.026 9.687 -8.342 2 HA ALA 8 HA ALA 8 -3.889 10.293 -11.239 3 1HB ALA 8 1HB ALA 8 -2.071 8.835 -9.307 4 2HB ALA 8 2HB ALA 8 -1.820 8.775 -11.053 5 3HB ALA 8 3HB ALA 8 -1.748 10.318 -10.207 6 H THR 9 H THR 9 -3.760 8.468 -12.777 7 HA THR 9 HA THR 9 -5.886 6.573 -12.281 8 HB THR 9 HB THR 9 -5.004 7.639 -14.541 9 HG1 THR 9 HG1 THR 9 -6.683 5.878 -13.949 10 1HG2 THR 9 1HG2 THR 9 -2.775 6.382 -14.154 11 2HG2 THR 9 2HG2 THR 9 -3.667 4.951 -14.670 12 3HG2 THR 9 3HG2 THR 9 -3.489 6.321 -15.765 13 H LEU 10 H LEU 10 -5.715 4.349 -12.114 14 HA LEU 10 HA LEU 10 -3.278 3.398 -10.750 15 1HB LEU 10 1HB LEU 10 -5.994 2.120 -11.228 16 2HB LEU 10 2HB LEU 10 -4.711 1.414 -10.252 17 HG LEU 10 HG LEU 10 -4.772 3.517 -8.842 18 1HD1 LEU 10 1HD1 LEU 10 -7.229 3.987 -10.544 19 2HD1 LEU 10 2HD1 LEU 10 -7.011 4.734 -8.960 20 3HD1 LEU 10 3HD1 LEU 10 -5.881 5.092 -10.265 21 1HD2 LEU 10 1HD2 LEU 10 -6.818 1.398 -9.025 22 2HD2 LEU 10 2HD2 LEU 10 -5.822 1.887 -7.656 23 3HD2 LEU 10 3HD2 LEU 10 -7.278 2.796 -8.054 24 H VAL 11 H VAL 11 -1.706 2.773 -12.284 25 HA VAL 11 HA VAL 11 -2.678 0.845 -14.357 26 HB VAL 11 HB VAL 11 -0.122 2.411 -14.572 27 1HG1 VAL 11 1HG1 VAL 11 -1.785 0.607 -16.251 28 2HG1 VAL 11 2HG1 VAL 11 -1.100 2.005 -17.079 29 3HG1 VAL 11 3HG1 VAL 11 -0.039 0.858 -16.262 30 1HG2 VAL 11 1HG2 VAL 11 -2.952 3.261 -15.072 31 2HG2 VAL 11 2HG2 VAL 11 -1.577 4.223 -14.531 32 3HG2 VAL 11 3HG2 VAL 11 -1.723 3.769 -16.229 33 H GLY 12 H GLY 12 -2.252 -1.137 -13.456 34 1HA GLY 12 1HA GLY 12 0.480 -1.538 -12.300 35 2HA GLY 12 2HA GLY 12 -0.948 -2.390 -11.710 36 HA PRO 13 HA PRO 13 0.007 -4.133 -16.109 37 1HB PRO 13 1HB PRO 13 2.431 -3.394 -17.172 38 2HB PRO 13 2HB PRO 13 0.914 -2.530 -17.476 39 1HG PRO 13 1HG PRO 13 3.175 -1.786 -15.657 40 2HG PRO 13 2HG PRO 13 2.073 -0.734 -16.567 41 1HD PRO 13 1HD PRO 13 1.851 -1.262 -13.836 42 2HD PRO 13 2HD PRO 13 0.524 -0.690 -14.867 43 H HIS 14 H HIS 14 1.104 -6.052 -16.598 44 HA HIS 14 HA HIS 14 3.575 -7.012 -15.882 45 1HB HIS 14 1HB HIS 14 3.216 -6.573 -13.539 46 2HB HIS 14 2HB HIS 14 1.629 -7.337 -13.590 47 HD1 HIS 14 HD1 HIS 14 1.558 -9.808 -13.129 48 HD2 HIS 14 HD2 HIS 14 5.408 -8.503 -14.043 49 HE1 HIS 14 HE1 HIS 14 3.092 -11.793 -12.774 50 H GLY 15 H GLY 15 0.164 -7.758 -15.767 51 1HA GLY 15 1HA GLY 15 -0.731 -9.344 -17.461 52 2HA GLY 15 2HA GLY 15 0.725 -10.312 -17.213 53 HA PRO 16 HA PRO 16 -2.172 -12.290 -14.376 54 1HB PRO 16 1HB PRO 16 -0.903 -14.720 -14.481 55 2HB PRO 16 2HB PRO 16 -2.101 -14.196 -15.675 56 1HG PRO 16 1HG PRO 16 0.865 -14.376 -15.950 57 2HG PRO 16 2HG PRO 16 -0.385 -14.479 -17.201 58 1HD PRO 16 1HD PRO 16 1.220 -12.213 -16.649 59 2HD PRO 16 2HD PRO 16 -0.248 -12.232 -17.650 60 H LEU 17 H LEU 17 -1.844 -12.836 -12.144 61 HA LEU 17 HA LEU 17 0.974 -12.504 -11.200 62 1HB LEU 17 1HB LEU 17 -1.612 -11.413 -10.124 63 2HB LEU 17 2HB LEU 17 -0.243 -11.673 -9.043 64 HG LEU 17 HG LEU 17 0.011 -10.128 -11.630 65 1HD1 LEU 17 1HD1 LEU 17 -1.318 -9.358 -9.181 66 2HD1 LEU 17 2HD1 LEU 17 0.117 -8.363 -9.432 67 3HD1 LEU 17 3HD1 LEU 17 -1.132 -8.441 -10.676 68 1HD2 LEU 17 1HD2 LEU 17 2.077 -11.030 -10.594 69 2HD2 LEU 17 2HD2 LEU 17 2.041 -9.269 -10.533 70 3HD2 LEU 17 3HD2 LEU 17 1.670 -10.209 -9.088 71 H ALA 18 H ALA 18 1.403 -14.729 -11.041 72 HA ALA 18 HA ALA 18 -0.430 -16.421 -9.471 73 1HB ALA 18 1HB ALA 18 1.798 -16.850 -11.321 74 2HB ALA 18 2HB ALA 18 1.903 -17.873 -9.889 75 3HB ALA 18 3HB ALA 18 0.464 -17.928 -10.909 76 H SER 19 H SER 19 0.510 -17.665 -7.603 77 HA SER 19 HA SER 19 1.440 -16.017 -5.551 78 1HB SER 19 1HB SER 19 0.547 -18.256 -5.125 79 2HB SER 19 2HB SER 19 1.935 -18.986 -5.928 80 HG SER 19 HG SER 19 2.754 -17.242 -4.053 81 H GLY 20 H GLY 20 3.319 -14.947 -5.303 82 1HA GLY 20 1HA GLY 20 5.690 -14.748 -5.112 83 2HA GLY 20 2HA GLY 20 5.864 -16.266 -5.992 84 H GLN 21 H GLN 21 4.147 -13.246 -6.857 85 HA GLN 21 HA GLN 21 5.896 -13.146 -9.287 86 1HB GLN 21 1HB GLN 21 2.963 -13.062 -9.001 87 2HB GLN 21 2HB GLN 21 3.635 -11.827 -10.065 88 1HG GLN 21 1HG GLN 21 4.268 -14.783 -10.265 89 2HG GLN 21 2HG GLN 21 3.087 -13.946 -11.269 90 1HE2 GLN 21 2HE2 GLN 21 5.009 -15.025 -12.783 91 2HE2 GLN 21 1HE2 GLN 21 6.181 -13.894 -13.261 92 H LEU 22 H LEU 22 6.493 -11.103 -10.050 93 HA LEU 22 HA LEU 22 6.203 -8.876 -8.082 94 1HB LEU 22 1HB LEU 22 8.525 -9.793 -8.701 95 2HB LEU 22 2HB LEU 22 8.257 -9.103 -10.297 96 HG LEU 22 HG LEU 22 9.556 -7.601 -8.764 97 1HD1 LEU 22 1HD1 LEU 22 7.845 -6.844 -10.633 98 2HD1 LEU 22 2HD1 LEU 22 6.923 -6.251 -9.251 99 3HD1 LEU 22 3HD1 LEU 22 8.552 -5.652 -9.544 100 1HD2 LEU 22 1HD2 LEU 22 7.422 -8.295 -6.978 101 2HD2 LEU 22 2HD2 LEU 22 8.869 -7.346 -6.643 102 3HD2 LEU 22 3HD2 LEU 22 7.409 -6.547 -7.226 103 H ALA 23 H ALA 23 4.319 -7.862 -8.853 104 HA ALA 23 HA ALA 23 3.980 -7.398 -11.736 105 1HB ALA 23 1HB ALA 23 2.362 -6.996 -9.284 106 2HB ALA 23 2HB ALA 23 2.126 -5.786 -10.545 107 3HB ALA 23 3HB ALA 23 1.852 -7.492 -10.896 108 H ALA 24 H ALA 24 3.978 -5.180 -12.664 109 HA ALA 24 HA ALA 24 5.626 -3.327 -10.984 110 1HB ALA 24 1HB ALA 24 5.647 -3.751 -13.983 111 2HB ALA 24 2HB ALA 24 6.514 -2.454 -13.158 112 3HB ALA 24 3HB ALA 24 6.942 -4.139 -12.843 113 H PHE 25 H PHE 25 4.520 -1.552 -10.420 114 HA PHE 25 HA PHE 25 2.071 -0.865 -11.968 115 1HB PHE 25 1HB PHE 25 2.949 -0.330 -9.132 116 2HB PHE 25 2HB PHE 25 1.555 0.454 -9.859 117 HD1 PHE 25 HD1 PHE 25 2.937 -3.062 -9.758 118 HD2 PHE 25 HD2 PHE 25 -0.452 -0.442 -9.272 119 HE1 PHE 25 HE1 PHE 25 1.502 -5.004 -9.184 120 HE2 PHE 25 HE2 PHE 25 -1.875 -2.400 -8.708 121 HZ PHE 25 HZ PHE 25 -0.897 -4.677 -8.665 122 H HIS 26 H HIS 26 1.459 1.475 -11.755 123 HA HIS 26 HA HIS 26 3.378 3.532 -11.379 124 1HB HIS 26 1HB HIS 26 4.003 4.190 -13.534 125 2HB HIS 26 2HB HIS 26 4.111 2.438 -13.634 126 HD1 HIS 26 HD1 HIS 26 1.457 5.119 -14.319 127 HD2 HIS 26 HD2 HIS 26 2.802 1.475 -15.829 128 HE1 HIS 26 HE1 HIS 26 0.091 4.654 -16.398 129 H ILE 27 H ILE 27 2.300 5.539 -11.368 130 HA ILE 27 HA ILE 27 -0.655 5.319 -11.741 131 HB ILE 27 HB ILE 27 0.408 7.632 -10.228 132 1HG1 ILE 27 1HG1 ILE 27 1.744 5.308 -9.675 133 2HG1 ILE 27 2HG1 ILE 27 1.397 6.543 -8.471 134 1HG2 ILE 27 1HG2 ILE 27 -1.702 5.515 -9.716 135 2HG2 ILE 27 2HG2 ILE 27 -1.421 6.920 -8.687 136 3HG2 ILE 27 3HG2 ILE 27 -1.983 7.134 -10.349 137 1HD1 ILE 27 1HD1 ILE 27 -0.480 4.240 -9.088 138 2HD1 ILE 27 2HD1 ILE 27 0.712 4.214 -7.786 139 3HD1 ILE 27 3HD1 ILE 27 -0.590 5.392 -7.753 140 H ALA 28 H ALA 28 -1.749 7.288 -12.654 141 HA ALA 28 HA ALA 28 0.166 8.973 -14.242 142 1HB ALA 28 1HB ALA 28 -1.122 6.920 -15.398 143 2HB ALA 28 2HB ALA 28 -2.354 8.171 -15.575 144 3HB ALA 28 3HB ALA 28 -0.744 8.415 -16.256 145 H ALA 29 H ALA 29 -0.246 11.095 -13.946 146 HA ALA 29 HA ALA 29 -2.657 12.399 -14.435 147 1HB ALA 29 1HB ALA 29 -2.553 11.262 -11.720 148 2HB ALA 29 2HB ALA 29 -2.974 12.972 -11.778 149 3HB ALA 29 3HB ALA 29 -3.941 11.795 -12.666 150 HA PRO 30 HA PRO 30 0.054 15.526 -12.152 151 1HB PRO 30 1HB PRO 30 1.867 14.624 -10.290 152 2HB PRO 30 2HB PRO 30 0.193 15.051 -9.897 153 1HG PRO 30 1HG PRO 30 1.437 12.353 -10.143 154 2HG PRO 30 2HG PRO 30 0.043 12.862 -9.176 155 1HD PRO 30 1HD PRO 30 -0.077 11.473 -11.629 156 2HD PRO 30 2HD PRO 30 -1.427 12.308 -10.832 157 H LEU 31 H LEU 31 0.850 15.136 -14.408 158 HA LEU 31 HA LEU 31 2.851 13.666 -15.437 159 1HB LEU 31 1HB LEU 31 1.993 16.421 -15.848 160 2HB LEU 31 2HB LEU 31 3.686 16.173 -16.280 161 HG LEU 31 HG LEU 31 3.029 14.220 -17.663 162 1HD1 LEU 31 1HD1 LEU 31 0.404 14.846 -16.421 163 2HD1 LEU 31 2HD1 LEU 31 0.367 14.396 -18.125 164 3HD1 LEU 31 3HD1 LEU 31 1.063 13.295 -16.937 165 1HD2 LEU 31 1HD2 LEU 31 2.935 16.796 -18.368 166 2HD2 LEU 31 2HD2 LEU 31 2.445 15.521 -19.483 167 3HD2 LEU 31 3HD2 LEU 31 1.225 16.420 -18.581 168 HA PRO 32 HA PRO 32 6.489 16.027 -13.483 169 1HB PRO 32 1HB PRO 32 5.950 18.037 -11.690 170 2HB PRO 32 2HB PRO 32 6.098 18.291 -13.437 171 1HG PRO 32 1HG PRO 32 3.644 18.261 -11.748 172 2HG PRO 32 2HG PRO 32 3.931 19.075 -13.295 173 1HD PRO 32 1HD PRO 32 2.501 16.657 -12.916 174 2HD PRO 32 2HD PRO 32 3.036 17.331 -14.469 175 H VAL 33 H VAL 33 5.623 13.725 -12.350 176 HA VAL 33 HA VAL 33 5.249 14.056 -9.447 177 HB VAL 33 HB VAL 33 5.650 11.556 -11.121 178 1HG1 VAL 33 1HG1 VAL 33 5.071 11.990 -8.180 179 2HG1 VAL 33 2HG1 VAL 33 4.787 10.451 -8.997 180 3HG1 VAL 33 3HG1 VAL 33 6.422 11.104 -8.889 181 1HG2 VAL 33 1HG2 VAL 33 3.330 13.192 -10.334 182 2HG2 VAL 33 2HG2 VAL 33 3.484 12.010 -11.637 183 3HG2 VAL 33 3HG2 VAL 33 3.148 11.472 -9.992 184 H THR 34 H THR 34 6.778 13.419 -7.875 185 HA THR 34 HA THR 34 9.561 13.042 -8.884 186 HB THR 34 HB THR 34 10.282 14.259 -6.793 187 HG1 THR 34 HG1 THR 34 8.805 14.988 -5.475 188 1HG2 THR 34 1HG2 THR 34 8.485 15.773 -8.710 189 2HG2 THR 34 2HG2 THR 34 9.707 16.500 -7.666 190 3HG2 THR 34 3HG2 THR 34 10.192 15.410 -8.964 191 H ALA 35 H ALA 35 7.229 12.302 -6.384 192 HA ALA 35 HA ALA 35 8.544 9.714 -5.931 193 1HB ALA 35 1HB ALA 35 9.000 11.943 -4.184 194 2HB ALA 35 2HB ALA 35 8.027 10.747 -3.326 195 3HB ALA 35 3HB ALA 35 9.584 10.287 -4.018 196 H THR 36 H THR 36 7.052 8.193 -5.412 197 HA THR 36 HA THR 36 4.304 9.132 -4.661 198 HB THR 36 HB THR 36 4.135 8.319 -6.910 199 HG1 THR 36 HG1 THR 36 3.550 6.022 -5.405 200 1HG2 THR 36 1HG2 THR 36 6.401 7.192 -6.833 201 2HG2 THR 36 2HG2 THR 36 5.611 5.833 -6.040 202 3HG2 THR 36 3HG2 THR 36 5.150 6.285 -7.681 203 H ARG 37 H ARG 37 3.370 7.973 -2.953 204 HA ARG 37 HA ARG 37 5.122 5.876 -1.768 205 1HB ARG 37 1HB ARG 37 3.868 8.137 -0.607 206 2HB ARG 37 2HB ARG 37 3.025 6.717 0.013 207 1HG ARG 37 1HG ARG 37 4.885 5.908 1.097 208 2HG ARG 37 2HG ARG 37 6.000 6.586 -0.090 209 1HD ARG 37 1HD ARG 37 6.419 8.129 1.531 210 2HD ARG 37 2HD ARG 37 4.917 8.861 0.965 211 HE ARG 37 HE ARG 37 3.781 7.500 2.795 212 1HH1 ARG 37 1HH1 ARG 37 6.254 5.985 3.608 213 2HH1 ARG 37 2HH1 ARG 37 6.772 6.873 5.002 214 1HH2 ARG 37 1HH2 ARG 37 4.820 9.649 4.285 215 2HH2 ARG 37 2HH2 ARG 37 5.959 8.948 5.386 216 H TRP 38 H TRP 38 4.407 3.939 -2.517 217 HA TRP 38 HA TRP 38 1.515 3.492 -2.939 218 1HB TRP 38 1HB TRP 38 3.838 1.586 -3.262 219 2HB TRP 38 2HB TRP 38 2.182 1.271 -3.738 220 HD1 TRP 38 HD1 TRP 38 4.891 3.943 -4.493 221 HE1 TRP 38 HE1 TRP 38 4.737 4.483 -7.012 222 HE3 TRP 38 HE3 TRP 38 0.914 1.029 -5.797 223 HZ2 TRP 38 HZ2 TRP 38 3.144 3.790 -9.270 224 HZ3 TRP 38 HZ3 TRP 38 0.092 0.991 -8.131 225 HH2 TRP 38 HH2 TRP 38 1.201 2.370 -9.869 226 H ASP 39 H ASP 39 0.878 1.165 -2.177 227 HA ASP 39 HA ASP 39 1.997 0.421 0.422 228 1HB ASP 39 1HB ASP 39 -0.356 2.057 0.257 229 2HB ASP 39 2HB ASP 39 -0.846 0.448 0.790 230 H PHE 40 H PHE 40 2.461 -1.615 -0.361 231 HA PHE 40 HA PHE 40 0.554 -2.965 -2.117 232 1HB PHE 40 1HB PHE 40 2.908 -4.277 -0.761 233 2HB PHE 40 2HB PHE 40 2.111 -4.739 -2.259 234 HD1 PHE 40 HD1 PHE 40 1.968 -1.538 -2.981 235 HD2 PHE 40 HD2 PHE 40 5.041 -4.406 -2.074 236 HE1 PHE 40 HE1 PHE 40 3.603 -0.218 -4.295 237 HE2 PHE 40 HE2 PHE 40 6.665 -3.079 -3.386 238 HZ PHE 40 HZ PHE 40 5.947 -0.987 -4.496 239 H GLY 41 H GLY 41 1.902 -3.859 1.079 240 1HA GLY 41 1HA GLY 41 0.613 -4.659 2.938 241 2HA GLY 41 2HA GLY 41 -0.787 -4.814 1.874 242 H ASP 42 H ASP 42 2.168 -6.042 0.615 243 HA ASP 42 HA ASP 42 1.207 -8.815 1.087 244 1HB ASP 42 1HB ASP 42 2.989 -9.247 -0.803 245 2HB ASP 42 2HB ASP 42 1.410 -8.603 -1.234 246 H GLY 43 H GLY 43 4.459 -8.361 0.101 247 1HA GLY 43 1HA GLY 43 5.406 -9.360 2.683 248 2HA GLY 43 2HA GLY 43 6.401 -9.077 1.249 249 H SER 44 H SER 44 5.011 -6.359 0.993 250 HA SER 44 HA SER 44 6.329 -4.951 3.267 251 1HB SER 44 1HB SER 44 7.528 -3.509 1.861 252 2HB SER 44 2HB SER 44 7.682 -5.051 1.026 253 HG SER 44 HG SER 44 5.799 -4.389 -0.199 254 H ALA 45 H ALA 45 4.994 -3.422 4.128 255 HA ALA 45 HA ALA 45 2.379 -2.981 2.902 256 1HB ALA 45 1HB ALA 45 3.684 -2.253 5.489 257 2HB ALA 45 2HB ALA 45 2.269 -1.336 4.972 258 3HB ALA 45 3HB ALA 45 2.153 -3.081 5.203 259 H GLU 46 H GLU 46 4.264 -0.466 4.413 260 HA GLU 46 HA GLU 46 3.456 1.602 2.654 261 1HB GLU 46 1HB GLU 46 5.607 1.264 4.698 262 2HB GLU 46 2HB GLU 46 5.749 2.624 3.584 263 1HG GLU 46 1HG GLU 46 4.514 3.333 5.567 264 2HG GLU 46 2HG GLU 46 3.426 3.309 4.179 265 H VAL 47 H VAL 47 4.551 2.619 0.898 266 HA VAL 47 HA VAL 47 6.884 1.126 -0.219 267 HB VAL 47 HB VAL 47 4.455 2.018 -1.799 268 1HG1 VAL 47 1HG1 VAL 47 6.745 1.967 -2.919 269 2HG1 VAL 47 2HG1 VAL 47 6.738 0.226 -2.640 270 3HG1 VAL 47 3HG1 VAL 47 5.501 0.961 -3.659 271 1HG2 VAL 47 1HG2 VAL 47 4.534 -0.126 -0.120 272 2HG2 VAL 47 2HG2 VAL 47 3.592 -0.083 -1.606 273 3HG2 VAL 47 3HG2 VAL 47 5.183 -0.845 -1.591 274 H ASP 48 H ASP 48 8.491 2.565 -0.598 275 HA ASP 48 HA ASP 48 7.760 5.407 -1.159 276 1HB ASP 48 1HB ASP 48 10.435 4.222 -0.340 277 2HB ASP 48 2HB ASP 48 10.070 5.940 -0.518 278 H ALA 49 H ALA 49 7.398 5.327 -3.390 279 HA ALA 49 HA ALA 49 9.561 4.139 -5.069 280 1HB ALA 49 1HB ALA 49 6.769 3.933 -5.180 281 2HB ALA 49 2HB ALA 49 7.215 4.976 -6.530 282 3HB ALA 49 3HB ALA 49 7.924 3.366 -6.387 283 H ALA 50 H ALA 50 9.977 5.283 -7.154 284 HA ALA 50 HA ALA 50 10.204 8.206 -6.667 285 1HB ALA 50 1HB ALA 50 12.083 6.405 -7.502 286 2HB ALA 50 2HB ALA 50 11.501 7.023 -9.048 287 3HB ALA 50 3HB ALA 50 12.156 8.133 -7.844 288 H GLY 51 H GLY 51 9.639 9.697 -8.390 289 1HA GLY 51 1HA GLY 51 8.022 10.509 -9.897 290 2HA GLY 51 2HA GLY 51 8.556 9.150 -10.889 291 HA PRO 52 HA PRO 52 4.263 8.128 -9.803 292 1HB PRO 52 1HB PRO 52 3.424 7.821 -12.394 293 2HB PRO 52 2HB PRO 52 3.428 9.384 -11.562 294 1HG PRO 52 1HG PRO 52 5.213 8.425 -13.727 295 2HG PRO 52 2HG PRO 52 4.872 10.084 -13.212 296 1HD PRO 52 1HD PRO 52 7.188 8.493 -12.564 297 2HD PRO 52 2HD PRO 52 6.812 10.139 -12.005 298 H ALA 53 H ALA 53 6.614 6.216 -9.855 299 HA ALA 53 HA ALA 53 5.091 3.930 -11.021 300 1HB ALA 53 1HB ALA 53 7.463 5.047 -12.174 301 2HB ALA 53 2HB ALA 53 7.797 3.405 -11.624 302 3HB ALA 53 3HB ALA 53 6.473 3.706 -12.750 303 H ALA 54 H ALA 54 5.714 1.851 -10.287 304 HA ALA 54 HA ALA 54 7.711 1.407 -8.238 305 1HB ALA 54 1HB ALA 54 4.795 1.442 -7.388 306 2HB ALA 54 2HB ALA 54 6.142 0.890 -6.391 307 3HB ALA 54 3HB ALA 54 6.026 2.586 -6.859 308 H SER 55 H SER 55 6.673 -0.887 -7.076 309 HA SER 55 HA SER 55 5.404 -2.536 -9.146 310 1HB SER 55 1HB SER 55 7.159 -3.947 -9.655 311 2HB SER 55 2HB SER 55 7.985 -2.395 -9.555 312 HG SER 55 HG SER 55 8.554 -2.918 -7.416 313 H HIS 56 H HIS 56 4.408 -4.321 -8.273 314 HA HIS 56 HA HIS 56 4.441 -4.468 -5.311 315 1HB HIS 56 1HB HIS 56 2.515 -5.188 -7.466 316 2HB HIS 56 2HB HIS 56 2.445 -6.102 -5.958 317 HD1 HIS 56 HD1 HIS 56 2.594 -2.432 -7.025 318 HD2 HIS 56 HD2 HIS 56 1.021 -4.820 -4.004 319 HE1 HIS 56 HE1 HIS 56 1.226 -0.903 -5.531 320 H ARG 57 H ARG 57 4.912 -6.310 -4.193 321 HA ARG 57 HA ARG 57 6.008 -8.609 -5.763 322 1HB ARG 57 1HB ARG 57 7.349 -9.079 -3.657 323 2HB ARG 57 2HB ARG 57 7.800 -7.596 -4.498 324 1HG ARG 57 1HG ARG 57 5.728 -6.873 -2.715 325 2HG ARG 57 2HG ARG 57 6.809 -7.921 -1.802 326 1HD ARG 57 1HD ARG 57 7.514 -5.555 -1.652 327 2HD ARG 57 2HD ARG 57 8.732 -6.541 -2.460 328 HE ARG 57 HE ARG 57 6.838 -5.235 -4.279 329 1HH1 ARG 57 1HH1 ARG 57 8.761 -3.582 -2.286 330 2HH1 ARG 57 2HH1 ARG 57 9.944 -3.082 -3.449 331 1HH2 ARG 57 1HH2 ARG 57 8.812 -5.239 -5.918 332 2HH2 ARG 57 2HH2 ARG 57 9.972 -4.021 -5.507 333 H TYR 58 H TYR 58 3.983 -9.710 -5.842 334 HA TYR 58 HA TYR 58 2.648 -10.275 -3.254 335 1HB TYR 58 1HB TYR 58 1.889 -10.742 -6.145 336 2HB TYR 58 2HB TYR 58 0.929 -11.370 -4.805 337 HD1 TYR 58 HD1 TYR 58 0.882 -9.472 -2.787 338 HD2 TYR 58 HD2 TYR 58 0.936 -8.788 -7.021 339 HE1 TYR 58 HE1 TYR 58 -0.209 -7.282 -2.440 340 HE2 TYR 58 HE2 TYR 58 -0.160 -6.589 -6.672 341 HH TYR 58 HH TYR 58 -0.845 -5.400 -3.382 342 H VAL 59 H VAL 59 3.135 -12.084 -2.151 343 HA VAL 59 HA VAL 59 4.364 -14.353 -3.662 344 HB VAL 59 HB VAL 59 5.570 -14.926 -1.631 345 1HG1 VAL 59 1HG1 VAL 59 6.541 -13.213 -3.136 346 2HG1 VAL 59 2HG1 VAL 59 5.741 -11.950 -2.200 347 3HG1 VAL 59 3HG1 VAL 59 6.999 -12.938 -1.456 348 1HG2 VAL 59 1HG2 VAL 59 3.735 -12.863 -0.465 349 2HG2 VAL 59 2HG2 VAL 59 4.257 -14.407 0.209 350 3HG2 VAL 59 3HG2 VAL 59 5.350 -13.024 0.224 351 H LEU 60 H LEU 60 1.822 -13.468 -1.382 352 HA LEU 60 HA LEU 60 1.195 -16.346 -0.975 353 1HB LEU 60 1HB LEU 60 1.063 -14.160 0.725 354 2HB LEU 60 2HB LEU 60 -0.618 -14.391 0.245 355 HG LEU 60 HG LEU 60 0.605 -16.948 0.786 356 1HD1 LEU 60 1HD1 LEU 60 1.233 -14.733 2.643 357 2HD1 LEU 60 2HD1 LEU 60 0.546 -16.170 3.401 358 3HD1 LEU 60 3HD1 LEU 60 2.024 -16.298 2.447 359 1HD2 LEU 60 1HD2 LEU 60 -1.854 -15.627 1.068 360 2HD2 LEU 60 2HD2 LEU 60 -1.502 -17.294 1.523 361 3HD2 LEU 60 3HD2 LEU 60 -1.356 -16.005 2.718 362 HA PRO 61 HA PRO 61 -1.989 -16.135 -4.004 363 1HB PRO 61 1HB PRO 61 -3.405 -18.350 -3.197 364 2HB PRO 61 2HB PRO 61 -1.875 -18.435 -4.088 365 1HG PRO 61 1HG PRO 61 -2.396 -18.966 -1.200 366 2HG PRO 61 2HG PRO 61 -1.122 -19.612 -2.247 367 1HD PRO 61 1HD PRO 61 -0.810 -17.537 -0.355 368 2HD PRO 61 2HD PRO 61 0.344 -17.957 -1.638 369 H GLY 62 H GLY 62 -3.711 -14.753 -3.958 370 1HA GLY 62 1HA GLY 62 -6.121 -14.963 -2.700 371 2HA GLY 62 2HA GLY 62 -5.125 -14.228 -1.441 372 H ARG 63 H ARG 63 -6.831 -12.457 -1.858 373 HA ARG 63 HA ARG 63 -6.100 -10.800 -4.224 374 1HB ARG 63 1HB ARG 63 -8.573 -11.484 -3.237 375 2HB ARG 63 2HB ARG 63 -8.324 -9.889 -2.526 376 1HG ARG 63 1HG ARG 63 -7.536 -10.071 -5.359 377 2HG ARG 63 2HG ARG 63 -9.257 -10.332 -5.073 378 1HD ARG 63 1HD ARG 63 -8.241 -8.119 -3.479 379 2HD ARG 63 2HD ARG 63 -7.960 -7.858 -5.201 380 HE ARG 63 HE ARG 63 -10.408 -8.155 -5.542 381 1HH1 ARG 63 1HH1 ARG 63 -10.322 -9.248 -2.515 382 2HH1 ARG 63 2HH1 ARG 63 -11.334 -8.043 -1.791 383 1HH2 ARG 63 1HH2 ARG 63 -11.246 -5.934 -4.542 384 2HH2 ARG 63 2HH2 ARG 63 -11.859 -6.168 -2.939 385 H TYR 64 H TYR 64 -4.737 -9.129 -3.866 386 HA TYR 64 HA TYR 64 -4.361 -8.156 -1.076 387 1HB TYR 64 1HB TYR 64 -2.739 -7.818 -3.606 388 2HB TYR 64 2HB TYR 64 -2.373 -6.973 -2.107 389 HD1 TYR 64 HD1 TYR 64 -2.598 -10.301 -3.719 390 HD2 TYR 64 HD2 TYR 64 -1.342 -8.096 -0.252 391 HE1 TYR 64 HE1 TYR 64 -1.287 -12.255 -2.948 392 HE2 TYR 64 HE2 TYR 64 -0.042 -10.056 0.524 393 HH TYR 64 HH TYR 64 0.722 -12.077 -0.014 394 H HIS 65 H HIS 65 -4.178 -5.798 -0.768 395 HA HIS 65 HA HIS 65 -5.887 -4.277 -2.695 396 1HB HIS 65 1HB HIS 65 -6.944 -4.555 -0.480 397 2HB HIS 65 2HB HIS 65 -5.526 -3.841 0.286 398 HD1 HIS 65 HD1 HIS 65 -8.627 -2.976 -1.560 399 HD2 HIS 65 HD2 HIS 65 -5.170 -1.023 -0.298 400 HE1 HIS 65 HE1 HIS 65 -9.080 -0.495 -1.795 401 H VAL 66 H VAL 66 -4.763 -2.745 -3.778 402 HA VAL 66 HA VAL 66 -2.140 -1.850 -2.691 403 HB VAL 66 HB VAL 66 -3.327 -1.580 -5.464 404 1HG1 VAL 66 1HG1 VAL 66 -0.612 -0.890 -4.305 405 2HG1 VAL 66 2HG1 VAL 66 -0.923 -1.024 -6.038 406 3HG1 VAL 66 3HG1 VAL 66 -1.756 0.205 -5.087 407 1HG2 VAL 66 1HG2 VAL 66 -1.494 -3.565 -4.164 408 2HG2 VAL 66 2HG2 VAL 66 -2.853 -3.854 -5.250 409 3HG2 VAL 66 3HG2 VAL 66 -1.334 -3.221 -5.887 410 H THR 67 H THR 67 -1.618 0.389 -2.639 411 HA THR 67 HA THR 67 -3.708 2.366 -3.265 412 HB THR 67 HB THR 67 -4.233 3.001 -1.145 413 HG1 THR 67 HG1 THR 67 -2.447 2.798 0.514 414 1HG2 THR 67 1HG2 THR 67 -2.877 0.378 -0.466 415 2HG2 THR 67 2HG2 THR 67 -4.039 1.224 0.554 416 3HG2 THR 67 3HG2 THR 67 -4.546 0.570 -1.002 417 H ALA 68 H ALA 68 -2.771 4.604 -3.170 418 HA ALA 68 HA ALA 68 0.156 4.746 -2.849 419 1HB ALA 68 1HB ALA 68 -0.721 4.104 -5.355 420 2HB ALA 68 2HB ALA 68 -0.698 5.867 -5.449 421 3HB ALA 68 3HB ALA 68 0.773 4.987 -5.029 422 H VAL 69 H VAL 69 0.955 6.931 -2.929 423 HA VAL 69 HA VAL 69 -1.023 9.112 -3.014 424 HB VAL 69 HB VAL 69 -1.032 8.414 -0.651 425 1HG1 VAL 69 1HG1 VAL 69 1.546 7.678 -1.018 426 2HG1 VAL 69 2HG1 VAL 69 1.784 9.236 -0.228 427 3HG1 VAL 69 3HG1 VAL 69 0.845 7.976 0.572 428 1HG2 VAL 69 1HG2 VAL 69 -0.960 10.902 -1.485 429 2HG2 VAL 69 2HG2 VAL 69 -0.785 10.567 0.238 430 3HG2 VAL 69 3HG2 VAL 69 0.640 10.911 -0.742 431 H LEU 70 H LEU 70 -0.008 10.297 -4.588 432 HA LEU 70 HA LEU 70 2.940 10.328 -4.666 433 1HB LEU 70 1HB LEU 70 1.541 12.165 -6.477 434 2HB LEU 70 2HB LEU 70 2.763 10.951 -6.835 435 HG LEU 70 HG LEU 70 -0.204 10.472 -6.432 436 1HD1 LEU 70 1HD1 LEU 70 1.415 11.198 -8.656 437 2HD1 LEU 70 2HD1 LEU 70 0.896 9.530 -8.895 438 3HD1 LEU 70 3HD1 LEU 70 -0.302 10.800 -8.651 439 1HD2 LEU 70 1HD2 LEU 70 2.154 8.626 -6.646 440 2HD2 LEU 70 2HD2 LEU 70 0.705 8.466 -5.655 441 3HD2 LEU 70 3HD2 LEU 70 0.624 8.150 -7.389 442 H ALA 71 H ALA 71 4.212 12.192 -4.429 443 HA ALA 71 HA ALA 71 2.777 14.586 -3.376 444 1HB ALA 71 1HB ALA 71 5.313 13.354 -2.284 445 2HB ALA 71 2HB ALA 71 4.717 14.960 -1.855 446 3HB ALA 71 3HB ALA 71 3.769 13.528 -1.446 447 H LEU 72 H LEU 72 3.107 16.121 -4.793 448 HA LEU 72 HA LEU 72 5.648 16.215 -6.340 449 1HB LEU 72 1HB LEU 72 2.940 17.493 -6.738 450 2HB LEU 72 2HB LEU 72 4.339 17.861 -7.747 451 HG LEU 72 HG LEU 72 4.462 15.233 -8.015 452 1HD1 LEU 72 1HD1 LEU 72 1.573 15.742 -7.247 453 2HD1 LEU 72 2HD1 LEU 72 2.133 14.284 -8.064 454 3HD1 LEU 72 3HD1 LEU 72 2.708 14.659 -6.441 455 1HD2 LEU 72 1HD2 LEU 72 3.750 17.211 -9.650 456 2HD2 LEU 72 2HD2 LEU 72 3.505 15.525 -10.105 457 3HD2 LEU 72 3HD2 LEU 72 2.158 16.473 -9.472 458 H GLY 73 H GLY 73 4.023 17.654 -3.748 459 1HA GLY 73 1HA GLY 73 5.314 19.265 -2.360 460 2HA GLY 73 2HA GLY 73 5.827 20.037 -3.866 461 H ALA 74 H ALA 74 3.542 20.221 -5.305 462 HA ALA 74 HA ALA 74 1.750 21.870 -3.573 463 1HB ALA 74 1HB ALA 74 3.174 23.009 -5.411 464 2HB ALA 74 2HB ALA 74 2.066 22.238 -6.546 465 3HB ALA 74 3HB ALA 74 1.452 23.388 -5.357 466 H GLY 75 H GLY 75 1.916 19.031 -5.357 467 1HA GLY 75 1HA GLY 75 -1.045 18.876 -5.435 468 2HA GLY 75 2HA GLY 75 -0.165 18.538 -6.926 469 H SER 76 H SER 76 -1.786 16.607 -5.631 470 HA SER 76 HA SER 76 0.238 14.498 -5.165 471 1HB SER 76 1HB SER 76 -0.399 13.968 -2.995 472 2HB SER 76 2HB SER 76 -0.634 15.712 -2.951 473 HG SER 76 HG SER 76 -2.423 14.217 -2.247 474 H ALA 77 H ALA 77 -1.019 12.320 -4.891 475 HA ALA 77 HA ALA 77 -3.659 12.340 -6.216 476 1HB ALA 77 1HB ALA 77 -1.222 11.839 -7.636 477 2HB ALA 77 2HB ALA 77 -2.146 10.339 -7.552 478 3HB ALA 77 3HB ALA 77 -2.877 11.786 -8.246 479 H LEU 78 H LEU 78 -4.911 10.776 -5.308 480 HA LEU 78 HA LEU 78 -3.605 8.822 -3.505 481 1HB LEU 78 1HB LEU 78 -5.737 10.337 -3.031 482 2HB LEU 78 2HB LEU 78 -6.574 9.000 -3.819 483 HG LEU 78 HG LEU 78 -4.553 8.293 -1.747 484 1HD1 LEU 78 1HD1 LEU 78 -6.996 9.911 -1.255 485 2HD1 LEU 78 2HD1 LEU 78 -6.742 8.536 -0.179 486 3HD1 LEU 78 3HD1 LEU 78 -5.513 9.795 -0.309 487 1HD2 LEU 78 1HD2 LEU 78 -6.992 7.192 -3.008 488 2HD2 LEU 78 2HD2 LEU 78 -5.574 6.353 -2.379 489 3HD2 LEU 78 3HD2 LEU 78 -6.849 6.875 -1.279 490 H LEU 79 H LEU 79 -3.683 6.615 -3.831 491 HA LEU 79 HA LEU 79 -5.058 5.671 -6.305 492 1HB LEU 79 1HB LEU 79 -2.281 5.655 -5.608 493 2HB LEU 79 2HB LEU 79 -2.844 3.991 -5.655 494 HG LEU 79 HG LEU 79 -2.171 5.673 -7.831 495 1HD1 LEU 79 1HD1 LEU 79 -3.475 2.945 -7.699 496 2HD1 LEU 79 2HD1 LEU 79 -2.682 3.618 -9.122 497 3HD1 LEU 79 3HD1 LEU 79 -1.743 3.274 -7.672 498 1HD2 LEU 79 1HD2 LEU 79 -5.100 4.910 -7.782 499 2HD2 LEU 79 2HD2 LEU 79 -4.456 6.552 -7.783 500 3HD2 LEU 79 3HD2 LEU 79 -4.232 5.517 -9.194 501 H GLY 80 H GLY 80 -5.767 3.466 -6.254 502 1HA GLY 80 1HA GLY 80 -5.582 1.910 -3.805 503 2HA GLY 80 2HA GLY 80 -7.182 2.602 -4.055 504 H THR 81 H THR 81 -4.806 0.337 -5.385 505 HA THR 81 HA THR 81 -6.898 -0.647 -7.284 506 HB THR 81 HB THR 81 -5.241 -0.991 -8.772 507 HG1 THR 81 HG1 THR 81 -3.244 -2.087 -7.446 508 1HG2 THR 81 1HG2 THR 81 -4.307 1.066 -7.705 509 2HG2 THR 81 2HG2 THR 81 -3.322 0.038 -6.665 510 3HG2 THR 81 3HG2 THR 81 -3.069 0.027 -8.412 511 H ASP 82 H ASP 82 -6.336 -3.226 -7.639 512 HA ASP 82 HA ASP 82 -5.916 -4.598 -5.062 513 1HB ASP 82 1HB ASP 82 -8.566 -4.310 -6.406 514 2HB ASP 82 2HB ASP 82 -8.160 -5.909 -5.786 515 H VAL 83 H VAL 83 -5.264 -6.824 -5.447 516 HA VAL 83 HA VAL 83 -5.197 -7.580 -8.333 517 HB VAL 83 HB VAL 83 -2.951 -7.358 -8.315 518 1HG1 VAL 83 1HG1 VAL 83 -3.520 -6.177 -5.867 519 2HG1 VAL 83 2HG1 VAL 83 -2.357 -7.445 -5.445 520 3HG1 VAL 83 3HG1 VAL 83 -1.940 -6.216 -6.641 521 1HG2 VAL 83 1HG2 VAL 83 -3.201 -9.808 -7.838 522 2HG2 VAL 83 2HG2 VAL 83 -1.680 -9.129 -7.257 523 3HG2 VAL 83 3HG2 VAL 83 -2.999 -9.440 -6.125 524 H GLN 84 H GLN 84 -5.547 -9.741 -8.758 525 HA GLN 84 HA GLN 84 -6.284 -11.424 -6.405 526 1HB GLN 84 1HB GLN 84 -8.063 -11.080 -8.093 527 2HB GLN 84 2HB GLN 84 -7.002 -11.734 -9.340 528 1HG GLN 84 1HG GLN 84 -6.847 -13.854 -7.962 529 2HG GLN 84 2HG GLN 84 -8.117 -13.194 -6.933 530 1HE2 GLN 84 2HE2 GLN 84 -7.457 -13.920 -10.404 531 2HE2 GLN 84 1HE2 GLN 84 -9.069 -14.299 -10.780 532 H VAL 85 H VAL 85 -4.125 -12.112 -5.932 533 HA VAL 85 HA VAL 85 -2.507 -13.330 -8.039 534 HB VAL 85 HB VAL 85 -2.161 -13.039 -5.053 535 1HG1 VAL 85 1HG1 VAL 85 -0.820 -14.847 -6.947 536 2HG1 VAL 85 2HG1 VAL 85 0.291 -13.800 -6.065 537 3HG1 VAL 85 3HG1 VAL 85 -0.809 -14.859 -5.184 538 1HG2 VAL 85 1HG2 VAL 85 -1.484 -11.516 -7.430 539 2HG2 VAL 85 2HG2 VAL 85 -1.344 -11.050 -5.735 540 3HG2 VAL 85 3HG2 VAL 85 -0.034 -11.934 -6.519 541 H GLU 86 H GLU 86 -2.380 -15.462 -8.520 542 HA GLU 86 HA GLU 86 -4.090 -17.336 -6.945 543 1HB GLU 86 1HB GLU 86 -3.959 -18.773 -8.974 544 2HB GLU 86 2HB GLU 86 -4.621 -17.181 -9.338 545 1HG GLU 86 1HG GLU 86 -2.644 -16.453 -10.381 546 2HG GLU 86 2HG GLU 86 -1.666 -17.695 -9.602 547 H ALA 87 H ALA 87 -2.578 -19.634 -8.203 548 HA ALA 87 HA ALA 87 -0.079 -19.402 -6.581 549 1HB ALA 87 1HB ALA 87 -2.170 -21.519 -6.658 550 2HB ALA 87 2HB ALA 87 -0.495 -22.057 -6.543 551 3HB ALA 87 3HB ALA 87 -1.162 -20.981 -5.315 Start of MODEL 10 1 H ALA 8 H ALA 8 -4.195 9.881 -8.344 2 HA ALA 8 HA ALA 8 -3.985 10.369 -11.224 3 1HB ALA 8 1HB ALA 8 -2.273 8.820 -9.255 4 2HB ALA 8 2HB ALA 8 -1.896 8.951 -10.975 5 3HB ALA 8 3HB ALA 8 -1.931 10.396 -9.968 6 H THR 9 H THR 9 -3.921 8.667 -12.817 7 HA THR 9 HA THR 9 -5.990 6.711 -12.447 8 HB THR 9 HB THR 9 -4.883 7.855 -14.630 9 HG1 THR 9 HG1 THR 9 -6.086 5.297 -14.630 10 1HG2 THR 9 1HG2 THR 9 -2.844 6.365 -14.277 11 2HG2 THR 9 2HG2 THR 9 -3.885 5.012 -14.716 12 3HG2 THR 9 3HG2 THR 9 -3.579 6.301 -15.878 13 H LEU 10 H LEU 10 -5.822 4.498 -12.278 14 HA LEU 10 HA LEU 10 -3.395 3.527 -10.900 15 1HB LEU 10 1HB LEU 10 -6.128 2.283 -11.379 16 2HB LEU 10 2HB LEU 10 -4.847 1.545 -10.425 17 HG LEU 10 HG LEU 10 -4.882 3.540 -8.923 18 1HD1 LEU 10 1HD1 LEU 10 -7.219 4.296 -10.693 19 2HD1 LEU 10 2HD1 LEU 10 -6.998 4.954 -9.071 20 3HD1 LEU 10 3HD1 LEU 10 -5.794 5.267 -10.321 21 1HD2 LEU 10 1HD2 LEU 10 -6.683 1.391 -9.093 22 2HD2 LEU 10 2HD2 LEU 10 -6.320 2.357 -7.665 23 3HD2 LEU 10 3HD2 LEU 10 -7.671 2.800 -8.706 24 H VAL 11 H VAL 11 -1.823 2.749 -12.322 25 HA VAL 11 HA VAL 11 -2.819 0.876 -14.432 26 HB VAL 11 HB VAL 11 -0.261 2.418 -14.713 27 1HG1 VAL 11 1HG1 VAL 11 -2.094 0.765 -16.404 28 2HG1 VAL 11 2HG1 VAL 11 -1.242 2.095 -17.188 29 3HG1 VAL 11 3HG1 VAL 11 -0.331 0.815 -16.385 30 1HG2 VAL 11 1HG2 VAL 11 -3.074 3.369 -15.039 31 2HG2 VAL 11 2HG2 VAL 11 -1.624 4.282 -14.619 32 3HG2 VAL 11 3HG2 VAL 11 -1.924 3.822 -16.295 33 H GLY 12 H GLY 12 -2.355 -1.106 -13.541 34 1HA GLY 12 1HA GLY 12 0.388 -1.458 -12.394 35 2HA GLY 12 2HA GLY 12 -1.023 -2.331 -11.797 36 HA PRO 13 HA PRO 13 0.005 -4.098 -16.169 37 1HB PRO 13 1HB PRO 13 2.450 -3.358 -17.187 38 2HB PRO 13 2HB PRO 13 0.933 -2.509 -17.535 39 1HG PRO 13 1HG PRO 13 3.153 -1.718 -15.690 40 2HG PRO 13 2HG PRO 13 2.046 -0.692 -16.619 41 1HD PRO 13 1HD PRO 13 1.804 -1.215 -13.883 42 2HD PRO 13 2HD PRO 13 0.491 -0.640 -14.928 43 H HIS 14 H HIS 14 1.060 -6.040 -16.569 44 HA HIS 14 HA HIS 14 3.536 -6.993 -15.808 45 1HB HIS 14 1HB HIS 14 3.073 -6.501 -13.472 46 2HB HIS 14 2HB HIS 14 1.533 -7.355 -13.565 47 HD1 HIS 14 HD1 HIS 14 1.577 -9.862 -13.231 48 HD2 HIS 14 HD2 HIS 14 5.392 -8.271 -13.763 49 HE1 HIS 14 HE1 HIS 14 3.209 -11.747 -12.789 50 H GLY 15 H GLY 15 0.120 -7.742 -15.739 51 1HA GLY 15 1HA GLY 15 -0.793 -9.343 -17.388 52 2HA GLY 15 2HA GLY 15 0.697 -10.274 -17.212 53 HA PRO 16 HA PRO 16 -2.053 -12.368 -14.308 54 1HB PRO 16 1HB PRO 16 -0.758 -14.778 -14.529 55 2HB PRO 16 2HB PRO 16 -2.019 -14.243 -15.653 56 1HG PRO 16 1HG PRO 16 0.933 -14.373 -16.073 57 2HG PRO 16 2HG PRO 16 -0.373 -14.465 -17.264 58 1HD PRO 16 1HD PRO 16 1.225 -12.190 -16.737 59 2HD PRO 16 2HD PRO 16 -0.291 -12.206 -17.665 60 H LEU 17 H LEU 17 -1.620 -12.953 -12.109 61 HA LEU 17 HA LEU 17 1.227 -12.571 -11.273 62 1HB LEU 17 1HB LEU 17 -1.356 -11.707 -9.977 63 2HB LEU 17 2HB LEU 17 0.135 -11.856 -9.046 64 HG LEU 17 HG LEU 17 0.016 -10.258 -11.607 65 1HD1 LEU 17 1HD1 LEU 17 -1.235 -9.655 -9.075 66 2HD1 LEU 17 2HD1 LEU 17 0.073 -8.513 -9.385 67 3HD1 LEU 17 3HD1 LEU 17 -1.229 -8.704 -10.559 68 1HD2 LEU 17 1HD2 LEU 17 2.223 -10.977 -10.645 69 2HD2 LEU 17 2HD2 LEU 17 2.025 -9.228 -10.702 70 3HD2 LEU 17 3HD2 LEU 17 1.826 -10.088 -9.176 71 H ALA 18 H ALA 18 1.880 -14.698 -11.061 72 HA ALA 18 HA ALA 18 0.135 -16.634 -9.685 73 1HB ALA 18 1HB ALA 18 2.067 -16.907 -11.628 74 2HB ALA 18 2HB ALA 18 2.939 -17.395 -10.175 75 3HB ALA 18 3HB ALA 18 1.454 -18.228 -10.633 76 H SER 19 H SER 19 1.285 -17.943 -7.862 77 HA SER 19 HA SER 19 1.782 -16.256 -5.661 78 1HB SER 19 1HB SER 19 1.215 -18.610 -5.366 79 2HB SER 19 2HB SER 19 2.724 -19.099 -6.130 80 HG SER 19 HG SER 19 3.140 -17.331 -4.117 81 H GLY 20 H GLY 20 3.507 -15.030 -5.118 82 1HA GLY 20 1HA GLY 20 5.764 -14.373 -4.890 83 2HA GLY 20 2HA GLY 20 6.241 -15.883 -5.667 84 H GLN 21 H GLN 21 4.226 -13.127 -6.744 85 HA GLN 21 HA GLN 21 5.956 -13.032 -9.185 86 1HB GLN 21 1HB GLN 21 3.168 -13.348 -8.955 87 2HB GLN 21 2HB GLN 21 3.422 -11.702 -9.531 88 1HG GLN 21 1HG GLN 21 3.358 -13.027 -11.499 89 2HG GLN 21 2HG GLN 21 5.071 -12.719 -11.214 90 1HE2 GLN 21 2HE2 GLN 21 4.237 -14.994 -12.719 91 2HE2 GLN 21 1HE2 GLN 21 4.590 -16.394 -11.826 92 H LEU 22 H LEU 22 6.528 -11.007 -10.024 93 HA LEU 22 HA LEU 22 6.302 -8.741 -8.095 94 1HB LEU 22 1HB LEU 22 8.602 -9.697 -8.758 95 2HB LEU 22 2HB LEU 22 8.307 -9.001 -10.348 96 HG LEU 22 HG LEU 22 9.646 -7.508 -8.844 97 1HD1 LEU 22 1HD1 LEU 22 7.899 -6.728 -10.667 98 2HD1 LEU 22 2HD1 LEU 22 7.001 -6.153 -9.261 99 3HD1 LEU 22 3HD1 LEU 22 8.624 -5.546 -9.578 100 1HD2 LEU 22 1HD2 LEU 22 7.650 -8.250 -6.976 101 2HD2 LEU 22 2HD2 LEU 22 9.006 -7.153 -6.720 102 3HD2 LEU 22 3HD2 LEU 22 7.452 -6.521 -7.266 103 H ALA 23 H ALA 23 4.379 -7.774 -8.860 104 HA ALA 23 HA ALA 23 4.014 -7.321 -11.738 105 1HB ALA 23 1HB ALA 23 2.421 -6.907 -9.270 106 2HB ALA 23 2HB ALA 23 2.162 -5.713 -10.543 107 3HB ALA 23 3HB ALA 23 1.896 -7.425 -10.873 108 H ALA 24 H ALA 24 3.945 -5.094 -12.665 109 HA ALA 24 HA ALA 24 5.606 -3.215 -11.025 110 1HB ALA 24 1HB ALA 24 5.628 -3.688 -14.018 111 2HB ALA 24 2HB ALA 24 6.488 -2.372 -13.217 112 3HB ALA 24 3HB ALA 24 6.926 -4.051 -12.873 113 H PHE 25 H PHE 25 4.381 -1.536 -10.407 114 HA PHE 25 HA PHE 25 1.980 -0.842 -12.016 115 1HB PHE 25 1HB PHE 25 2.804 -0.219 -9.177 116 2HB PHE 25 2HB PHE 25 1.359 0.435 -9.938 117 HD1 PHE 25 HD1 PHE 25 2.983 -2.984 -9.731 118 HD2 PHE 25 HD2 PHE 25 -0.570 -0.589 -9.294 119 HE1 PHE 25 HE1 PHE 25 1.693 -4.992 -9.063 120 HE2 PHE 25 HE2 PHE 25 -1.847 -2.610 -8.636 121 HZ PHE 25 HZ PHE 25 -0.715 -4.811 -8.523 122 H HIS 26 H HIS 26 1.345 1.480 -11.918 123 HA HIS 26 HA HIS 26 3.265 3.553 -11.488 124 1HB HIS 26 1HB HIS 26 3.872 4.216 -13.650 125 2HB HIS 26 2HB HIS 26 4.004 2.466 -13.735 126 HD1 HIS 26 HD1 HIS 26 1.343 5.121 -14.460 127 HD2 HIS 26 HD2 HIS 26 2.677 1.443 -15.897 128 HE1 HIS 26 HE1 HIS 26 -0.026 4.617 -16.529 129 H ILE 27 H ILE 27 2.213 5.613 -11.622 130 HA ILE 27 HA ILE 27 -0.755 5.387 -11.915 131 HB ILE 27 HB ILE 27 0.358 7.692 -10.424 132 1HG1 ILE 27 1HG1 ILE 27 1.793 5.552 -9.864 133 2HG1 ILE 27 2HG1 ILE 27 1.142 6.523 -8.546 134 1HG2 ILE 27 1HG2 ILE 27 -1.796 5.620 -9.917 135 2HG2 ILE 27 2HG2 ILE 27 -1.462 6.985 -8.849 136 3HG2 ILE 27 3HG2 ILE 27 -2.039 7.266 -10.496 137 1HD1 ILE 27 1HD1 ILE 27 -0.891 4.971 -8.620 138 2HD1 ILE 27 2HD1 ILE 27 0.077 3.920 -9.641 139 3HD1 ILE 27 3HD1 ILE 27 0.597 4.281 -7.994 140 H ALA 28 H ALA 28 -1.848 7.425 -12.728 141 HA ALA 28 HA ALA 28 0.022 9.081 -14.389 142 1HB ALA 28 1HB ALA 28 -1.280 7.053 -15.533 143 2HB ALA 28 2HB ALA 28 -2.559 8.266 -15.613 144 3HB ALA 28 3HB ALA 28 -0.999 8.577 -16.377 145 H ALA 29 H ALA 29 -0.348 11.191 -13.946 146 HA ALA 29 HA ALA 29 -2.754 12.536 -14.396 147 1HB ALA 29 1HB ALA 29 -2.639 11.314 -11.716 148 2HB ALA 29 2HB ALA 29 -3.055 13.028 -11.724 149 3HB ALA 29 3HB ALA 29 -4.031 11.880 -12.639 150 HA PRO 30 HA PRO 30 -0.014 15.576 -12.040 151 1HB PRO 30 1HB PRO 30 1.791 14.615 -10.202 152 2HB PRO 30 2HB PRO 30 0.121 15.044 -9.798 153 1HG PRO 30 1HG PRO 30 1.345 12.345 -10.106 154 2HG PRO 30 2HG PRO 30 -0.050 12.840 -9.136 155 1HD PRO 30 1HD PRO 30 -0.161 11.513 -11.627 156 2HD PRO 30 2HD PRO 30 -1.512 12.327 -10.810 157 H LEU 31 H LEU 31 0.781 15.233 -14.311 158 HA LEU 31 HA LEU 31 2.790 13.775 -15.356 159 1HB LEU 31 1HB LEU 31 1.853 16.475 -15.781 160 2HB LEU 31 2HB LEU 31 3.585 16.361 -16.101 161 HG LEU 31 HG LEU 31 2.531 14.034 -17.226 162 1HD1 LEU 31 1HD1 LEU 31 0.730 16.420 -17.728 163 2HD1 LEU 31 2HD1 LEU 31 0.765 14.989 -18.758 164 3HD1 LEU 31 3HD1 LEU 31 0.261 14.852 -17.073 165 1HD2 LEU 31 1HD2 LEU 31 4.128 16.178 -17.952 166 2HD2 LEU 31 2HD2 LEU 31 3.720 14.814 -18.993 167 3HD2 LEU 31 3HD2 LEU 31 2.774 16.300 -19.076 168 HA PRO 32 HA PRO 32 6.401 16.139 -13.358 169 1HB PRO 32 1HB PRO 32 5.840 18.105 -11.521 170 2HB PRO 32 2HB PRO 32 5.990 18.399 -13.261 171 1HG PRO 32 1HG PRO 32 3.532 18.307 -11.580 172 2HG PRO 32 2HG PRO 32 3.816 19.157 -13.107 173 1HD PRO 32 1HD PRO 32 2.407 16.717 -12.787 174 2HD PRO 32 2HD PRO 32 2.942 17.430 -14.323 175 H VAL 33 H VAL 33 5.487 13.808 -12.275 176 HA VAL 33 HA VAL 33 5.147 14.056 -9.364 177 HB VAL 33 HB VAL 33 5.586 11.609 -11.105 178 1HG1 VAL 33 1HG1 VAL 33 5.016 11.961 -8.153 179 2HG1 VAL 33 2HG1 VAL 33 4.731 10.443 -9.005 180 3HG1 VAL 33 3HG1 VAL 33 6.363 11.100 -8.894 181 1HG2 VAL 33 1HG2 VAL 33 3.241 13.188 -10.290 182 2HG2 VAL 33 2HG2 VAL 33 3.409 12.027 -11.606 183 3HG2 VAL 33 3HG2 VAL 33 3.084 11.462 -9.967 184 H THR 34 H THR 34 6.716 13.456 -7.814 185 HA THR 34 HA THR 34 9.485 13.103 -8.872 186 HB THR 34 HB THR 34 10.302 14.400 -6.950 187 HG1 THR 34 HG1 THR 34 8.474 15.550 -5.827 188 1HG2 THR 34 1HG2 THR 34 9.087 15.412 -9.178 189 2HG2 THR 34 2HG2 THR 34 8.184 16.222 -7.898 190 3HG2 THR 34 3HG2 THR 34 9.937 16.391 -7.985 191 H ALA 35 H ALA 35 7.217 12.356 -6.318 192 HA ALA 35 HA ALA 35 8.546 9.769 -5.894 193 1HB ALA 35 1HB ALA 35 8.462 11.957 -3.814 194 2HB ALA 35 2HB ALA 35 8.509 10.257 -3.344 195 3HB ALA 35 3HB ALA 35 9.827 10.948 -4.291 196 H THR 36 H THR 36 7.057 8.254 -5.328 197 HA THR 36 HA THR 36 4.337 9.231 -4.529 198 HB THR 36 HB THR 36 4.150 8.396 -6.774 199 HG1 THR 36 HG1 THR 36 3.486 6.104 -5.323 200 1HG2 THR 36 1HG2 THR 36 6.358 7.203 -6.726 201 2HG2 THR 36 2HG2 THR 36 5.567 5.898 -5.847 202 3HG2 THR 36 3HG2 THR 36 5.060 6.286 -7.492 203 H ARG 37 H ARG 37 3.250 7.876 -2.993 204 HA ARG 37 HA ARG 37 5.055 5.891 -1.696 205 1HB ARG 37 1HB ARG 37 3.602 8.122 -0.593 206 2HB ARG 37 2HB ARG 37 3.021 6.618 0.125 207 1HG ARG 37 1HG ARG 37 4.904 6.406 1.340 208 2HG ARG 37 2HG ARG 37 5.901 6.554 -0.107 209 1HD ARG 37 1HD ARG 37 6.574 8.419 1.133 210 2HD ARG 37 2HD ARG 37 5.335 9.106 0.084 211 HE ARG 37 HE ARG 37 3.802 9.107 1.988 212 1HH1 ARG 37 1HH1 ARG 37 5.944 6.913 3.104 213 2HH1 ARG 37 2HH1 ARG 37 6.318 7.706 4.596 214 1HH2 ARG 37 1HH2 ARG 37 4.755 10.675 3.720 215 2HH2 ARG 37 2HH2 ARG 37 5.645 9.835 4.947 216 H TRP 38 H TRP 38 4.359 3.962 -2.523 217 HA TRP 38 HA TRP 38 1.480 3.481 -2.940 218 1HB TRP 38 1HB TRP 38 3.805 1.575 -3.238 219 2HB TRP 38 2HB TRP 38 2.161 1.293 -3.777 220 HD1 TRP 38 HD1 TRP 38 4.923 3.952 -4.399 221 HE1 TRP 38 HE1 TRP 38 4.878 4.515 -6.911 222 HE3 TRP 38 HE3 TRP 38 0.973 1.092 -5.895 223 HZ2 TRP 38 HZ2 TRP 38 3.377 3.874 -9.233 224 HZ3 TRP 38 HZ3 TRP 38 0.246 1.101 -8.263 225 HH2 TRP 38 HH2 TRP 38 1.444 2.495 -9.931 226 H ASP 39 H ASP 39 0.845 1.145 -2.179 227 HA ASP 39 HA ASP 39 1.970 0.449 0.441 228 1HB ASP 39 1HB ASP 39 -0.654 1.767 0.076 229 2HB ASP 39 2HB ASP 39 -0.699 0.302 1.057 230 H PHE 40 H PHE 40 2.480 -1.623 -0.206 231 HA PHE 40 HA PHE 40 0.653 -3.059 -1.991 232 1HB PHE 40 1HB PHE 40 3.007 -4.290 -0.556 233 2HB PHE 40 2HB PHE 40 2.240 -4.812 -2.051 234 HD1 PHE 40 HD1 PHE 40 2.041 -1.599 -2.789 235 HD2 PHE 40 HD2 PHE 40 5.153 -4.443 -1.926 236 HE1 PHE 40 HE1 PHE 40 3.645 -0.263 -4.119 237 HE2 PHE 40 HE2 PHE 40 6.746 -3.098 -3.258 238 HZ PHE 40 HZ PHE 40 5.994 -1.010 -4.355 239 H GLY 41 H GLY 41 1.951 -3.960 1.235 240 1HA GLY 41 1HA GLY 41 0.580 -4.697 3.082 241 2HA GLY 41 2HA GLY 41 -0.778 -4.876 1.971 242 H ASP 42 H ASP 42 1.992 -6.159 0.577 243 HA ASP 42 HA ASP 42 1.115 -8.941 1.178 244 1HB ASP 42 1HB ASP 42 2.687 -9.459 -0.750 245 2HB ASP 42 2HB ASP 42 1.323 -8.427 -1.180 246 H GLY 43 H GLY 43 2.655 -7.256 3.055 247 1HA GLY 43 1HA GLY 43 4.314 -8.364 4.593 248 2HA GLY 43 2HA GLY 43 5.232 -8.765 3.128 249 H SER 44 H SER 44 4.768 -6.401 1.668 250 HA SER 44 HA SER 44 6.313 -4.425 3.292 251 1HB SER 44 1HB SER 44 6.748 -3.444 0.925 252 2HB SER 44 2HB SER 44 7.595 -4.921 1.369 253 HG SER 44 HG SER 44 5.108 -4.863 0.009 254 H ALA 45 H ALA 45 4.671 -3.221 4.243 255 HA ALA 45 HA ALA 45 2.239 -2.551 2.810 256 1HB ALA 45 1HB ALA 45 3.392 -1.872 5.485 257 2HB ALA 45 2HB ALA 45 2.041 -0.922 4.865 258 3HB ALA 45 3HB ALA 45 1.863 -2.661 5.097 259 H GLU 46 H GLU 46 3.989 -0.056 4.488 260 HA GLU 46 HA GLU 46 3.471 2.008 2.669 261 1HB GLU 46 1HB GLU 46 5.423 3.176 3.707 262 2HB GLU 46 2HB GLU 46 4.333 2.468 4.897 263 1HG GLU 46 1HG GLU 46 5.998 0.372 4.535 264 2HG GLU 46 2HG GLU 46 7.112 1.687 4.169 265 H VAL 47 H VAL 47 4.519 2.808 0.844 266 HA VAL 47 HA VAL 47 6.893 1.270 -0.123 267 HB VAL 47 HB VAL 47 4.427 2.037 -1.720 268 1HG1 VAL 47 1HG1 VAL 47 6.622 2.171 -2.947 269 2HG1 VAL 47 2HG1 VAL 47 6.862 0.461 -2.585 270 3HG1 VAL 47 3HG1 VAL 47 5.503 0.968 -3.586 271 1HG2 VAL 47 1HG2 VAL 47 4.807 -0.122 -0.040 272 2HG2 VAL 47 2HG2 VAL 47 3.693 -0.082 -1.403 273 3HG2 VAL 47 3HG2 VAL 47 5.307 -0.762 -1.602 274 H ASP 48 H ASP 48 8.503 2.770 -0.310 275 HA ASP 48 HA ASP 48 7.793 5.552 -1.077 276 1HB ASP 48 1HB ASP 48 10.204 4.230 0.138 277 2HB ASP 48 2HB ASP 48 10.397 5.768 -0.703 278 H ALA 49 H ALA 49 7.442 5.485 -3.297 279 HA ALA 49 HA ALA 49 9.579 4.231 -4.970 280 1HB ALA 49 1HB ALA 49 6.767 4.045 -5.060 281 2HB ALA 49 2HB ALA 49 7.242 5.003 -6.463 282 3HB ALA 49 3HB ALA 49 7.922 3.392 -6.223 283 H ALA 50 H ALA 50 9.930 5.347 -7.111 284 HA ALA 50 HA ALA 50 10.150 8.275 -6.650 285 1HB ALA 50 1HB ALA 50 11.533 6.416 -8.603 286 2HB ALA 50 2HB ALA 50 11.749 8.165 -8.591 287 3HB ALA 50 3HB ALA 50 12.254 7.205 -7.200 288 H GLY 51 H GLY 51 9.528 9.747 -8.353 289 1HA GLY 51 1HA GLY 51 7.883 10.539 -9.836 290 2HA GLY 51 2HA GLY 51 8.415 9.185 -10.837 291 HA PRO 52 HA PRO 52 4.149 8.126 -9.675 292 1HB PRO 52 1HB PRO 52 3.262 7.830 -12.253 293 2HB PRO 52 2HB PRO 52 3.267 9.388 -11.410 294 1HG PRO 52 1HG PRO 52 5.024 8.460 -13.613 295 2HG PRO 52 2HG PRO 52 4.673 10.113 -13.084 296 1HD PRO 52 1HD PRO 52 7.019 8.550 -12.487 297 2HD PRO 52 2HD PRO 52 6.628 10.184 -11.904 298 H ALA 53 H ALA 53 6.532 6.255 -9.801 299 HA ALA 53 HA ALA 53 5.026 3.951 -10.959 300 1HB ALA 53 1HB ALA 53 7.388 5.122 -12.105 301 2HB ALA 53 2HB ALA 53 7.722 3.464 -11.605 302 3HB ALA 53 3HB ALA 53 6.392 3.800 -12.715 303 H ALA 54 H ALA 54 5.690 1.878 -10.249 304 HA ALA 54 HA ALA 54 7.737 1.419 -8.272 305 1HB ALA 54 1HB ALA 54 6.090 2.646 -6.847 306 2HB ALA 54 2HB ALA 54 4.874 1.439 -7.259 307 3HB ALA 54 3HB ALA 54 6.302 0.972 -6.332 308 H SER 55 H SER 55 6.846 -0.877 -7.091 309 HA SER 55 HA SER 55 5.438 -2.491 -9.124 310 1HB SER 55 1HB SER 55 7.776 -3.954 -8.313 311 2HB SER 55 2HB SER 55 7.218 -3.562 -9.936 312 HG SER 55 HG SER 55 9.013 -2.217 -8.262 313 H HIS 56 H HIS 56 4.612 -4.451 -8.272 314 HA HIS 56 HA HIS 56 4.568 -4.506 -5.294 315 1HB HIS 56 1HB HIS 56 2.631 -5.184 -7.440 316 2HB HIS 56 2HB HIS 56 2.574 -6.152 -5.967 317 HD1 HIS 56 HD1 HIS 56 2.628 -2.471 -6.961 318 HD2 HIS 56 HD2 HIS 56 1.240 -4.931 -3.905 319 HE1 HIS 56 HE1 HIS 56 1.295 -0.994 -5.391 320 H ARG 57 H ARG 57 5.024 -6.371 -4.181 321 HA ARG 57 HA ARG 57 6.051 -8.678 -5.782 322 1HB ARG 57 1HB ARG 57 7.481 -9.130 -3.706 323 2HB ARG 57 2HB ARG 57 7.942 -7.726 -4.664 324 1HG ARG 57 1HG ARG 57 6.002 -6.831 -2.786 325 2HG ARG 57 2HG ARG 57 7.154 -7.827 -1.902 326 1HD ARG 57 1HD ARG 57 7.980 -5.548 -1.915 327 2HD ARG 57 2HD ARG 57 9.013 -6.521 -2.960 328 HE ARG 57 HE ARG 57 6.802 -5.098 -4.302 329 1HH1 ARG 57 1HH1 ARG 57 9.638 -4.112 -2.849 330 2HH1 ARG 57 2HH1 ARG 57 10.385 -3.507 -4.289 331 1HH2 ARG 57 1HH2 ARG 57 7.961 -4.792 -6.408 332 2HH2 ARG 57 2HH2 ARG 57 9.435 -3.889 -6.303 333 H TYR 58 H TYR 58 3.995 -9.720 -5.733 334 HA TYR 58 HA TYR 58 2.772 -10.230 -3.089 335 1HB TYR 58 1HB TYR 58 1.923 -10.806 -5.936 336 2HB TYR 58 2HB TYR 58 0.997 -11.356 -4.539 337 HD1 TYR 58 HD1 TYR 58 0.860 -9.439 -2.630 338 HD2 TYR 58 HD2 TYR 58 1.135 -8.815 -6.863 339 HE1 TYR 58 HE1 TYR 58 -0.212 -7.226 -2.367 340 HE2 TYR 58 HE2 TYR 58 0.058 -6.599 -6.603 341 HH TYR 58 HH TYR 58 -0.985 -5.447 -3.386 342 H VAL 59 H VAL 59 2.774 -12.232 -2.077 343 HA VAL 59 HA VAL 59 4.264 -14.403 -3.494 344 HB VAL 59 HB VAL 59 5.703 -13.493 -1.790 345 1HG1 VAL 59 1HG1 VAL 59 3.314 -13.862 0.039 346 2HG1 VAL 59 2HG1 VAL 59 4.942 -13.496 0.608 347 3HG1 VAL 59 3HG1 VAL 59 4.083 -12.340 -0.408 348 1HG2 VAL 59 1HG2 VAL 59 5.430 -16.032 -2.043 349 2HG2 VAL 59 2HG2 VAL 59 6.152 -15.470 -0.535 350 3HG2 VAL 59 3HG2 VAL 59 4.460 -15.966 -0.571 351 H LEU 60 H LEU 60 1.665 -13.682 -1.152 352 HA LEU 60 HA LEU 60 0.979 -16.543 -0.983 353 1HB LEU 60 1HB LEU 60 0.556 -14.297 0.650 354 2HB LEU 60 2HB LEU 60 -1.043 -14.735 0.052 355 HG LEU 60 HG LEU 60 0.356 -17.137 0.754 356 1HD1 LEU 60 1HD1 LEU 60 1.356 -15.075 2.264 357 2HD1 LEU 60 2HD1 LEU 60 -0.004 -15.609 3.252 358 3HD1 LEU 60 3HD1 LEU 60 1.264 -16.751 2.806 359 1HD2 LEU 60 1HD2 LEU 60 -2.198 -16.073 0.861 360 2HD2 LEU 60 2HD2 LEU 60 -1.715 -17.624 1.550 361 3HD2 LEU 60 3HD2 LEU 60 -1.752 -16.181 2.565 362 HA PRO 61 HA PRO 61 -1.894 -16.373 -4.319 363 1HB PRO 61 1HB PRO 61 -3.302 -18.650 -3.692 364 2HB PRO 61 2HB PRO 61 -1.686 -18.667 -4.420 365 1HG PRO 61 1HG PRO 61 -2.483 -19.270 -1.611 366 2HG PRO 61 2HG PRO 61 -1.082 -19.846 -2.529 367 1HD PRO 61 1HD PRO 61 -1.062 -17.788 -0.583 368 2HD PRO 61 2HD PRO 61 0.245 -18.157 -1.728 369 H GLY 62 H GLY 62 -3.554 -14.898 -4.302 370 1HA GLY 62 1HA GLY 62 -6.110 -15.267 -3.331 371 2HA GLY 62 2HA GLY 62 -5.261 -14.546 -1.962 372 H ARG 63 H ARG 63 -6.392 -12.544 -2.072 373 HA ARG 63 HA ARG 63 -5.726 -10.915 -4.490 374 1HB ARG 63 1HB ARG 63 -8.242 -10.888 -2.805 375 2HB ARG 63 2HB ARG 63 -7.849 -9.641 -3.991 376 1HG ARG 63 1HG ARG 63 -7.462 -11.818 -5.526 377 2HG ARG 63 2HG ARG 63 -8.668 -12.472 -4.420 378 1HD ARG 63 1HD ARG 63 -9.332 -9.774 -5.344 379 2HD ARG 63 2HD ARG 63 -9.210 -10.937 -6.664 380 HE ARG 63 HE ARG 63 -11.180 -11.949 -5.860 381 1HH1 ARG 63 1HH2 ARG 63 -11.818 -9.300 -4.541 382 2HH1 ARG 63 2HH2 ARG 63 -12.154 -9.795 -2.915 383 1HH2 ARG 63 1HH1 ARG 63 -10.688 -12.916 -3.283 384 2HH2 ARG 63 2HH1 ARG 63 -11.514 -11.844 -2.203 385 H TYR 64 H TYR 64 -4.894 -8.867 -4.102 386 HA TYR 64 HA TYR 64 -4.500 -8.135 -1.220 387 1HB TYR 64 1HB TYR 64 -2.688 -7.681 -3.602 388 2HB TYR 64 2HB TYR 64 -2.422 -6.973 -2.013 389 HD1 TYR 64 HD1 TYR 64 -2.776 -10.217 -3.813 390 HD2 TYR 64 HD2 TYR 64 -1.351 -8.197 -0.298 391 HE1 TYR 64 HE1 TYR 64 -1.563 -12.265 -3.125 392 HE2 TYR 64 HE2 TYR 64 -0.148 -10.249 0.394 393 HH TYR 64 HH TYR 64 -0.259 -13.189 -1.613 394 H HIS 65 H HIS 65 -4.210 -5.762 -0.892 395 HA HIS 65 HA HIS 65 -5.833 -4.188 -2.850 396 1HB HIS 65 1HB HIS 65 -6.990 -4.411 -0.698 397 2HB HIS 65 2HB HIS 65 -5.559 -3.825 0.151 398 HD1 HIS 65 HD1 HIS 65 -8.374 -2.677 -2.057 399 HD2 HIS 65 HD2 HIS 65 -5.105 -1.022 -0.068 400 HE1 HIS 65 HE1 HIS 65 -8.667 -0.164 -2.165 401 H VAL 66 H VAL 66 -4.737 -2.544 -3.804 402 HA VAL 66 HA VAL 66 -2.103 -1.760 -2.642 403 HB VAL 66 HB VAL 66 -3.143 -1.525 -5.476 404 1HG1 VAL 66 1HG1 VAL 66 -0.457 -0.879 -4.220 405 2HG1 VAL 66 2HG1 VAL 66 -0.732 -0.985 -5.962 406 3HG1 VAL 66 3HG1 VAL 66 -1.558 0.251 -5.015 407 1HG2 VAL 66 1HG2 VAL 66 -1.379 -3.491 -4.049 408 2HG2 VAL 66 2HG2 VAL 66 -2.721 -3.804 -5.151 409 3HG2 VAL 66 3HG2 VAL 66 -1.183 -3.210 -5.779 410 H THR 67 H THR 67 -1.542 0.482 -2.623 411 HA THR 67 HA THR 67 -3.636 2.455 -3.301 412 HB THR 67 HB THR 67 -4.135 3.092 -1.180 413 HG1 THR 67 HG1 THR 67 -2.521 4.106 -0.346 414 1HG2 THR 67 1HG2 THR 67 -4.257 0.634 -0.939 415 2HG2 THR 67 2HG2 THR 67 -2.572 0.608 -0.421 416 3HG2 THR 67 3HG2 THR 67 -3.788 1.408 0.574 417 H ALA 68 H ALA 68 -2.679 4.688 -3.363 418 HA ALA 68 HA ALA 68 0.254 4.829 -3.084 419 1HB ALA 68 1HB ALA 68 -0.598 3.971 -5.497 420 2HB ALA 68 2HB ALA 68 -0.655 5.717 -5.757 421 3HB ALA 68 3HB ALA 68 0.855 4.944 -5.271 422 H VAL 69 H VAL 69 0.594 6.726 -2.129 423 HA VAL 69 HA VAL 69 -1.142 9.041 -2.872 424 HB VAL 69 HB VAL 69 -1.237 8.498 -0.472 425 1HG1 VAL 69 1HG1 VAL 69 1.395 7.745 -0.764 426 2HG1 VAL 69 2HG1 VAL 69 1.544 9.285 0.080 427 3HG1 VAL 69 3HG1 VAL 69 0.584 7.984 0.783 428 1HG2 VAL 69 1HG2 VAL 69 -0.174 11.010 -1.558 429 2HG2 VAL 69 2HG2 VAL 69 -1.492 10.749 -0.417 430 3HG2 VAL 69 3HG2 VAL 69 0.175 10.793 0.157 431 H LEU 70 H LEU 70 -0.079 10.220 -4.428 432 HA LEU 70 HA LEU 70 2.869 10.190 -4.454 433 1HB LEU 70 1HB LEU 70 1.607 12.046 -6.323 434 2HB LEU 70 2HB LEU 70 2.738 10.737 -6.640 435 HG LEU 70 HG LEU 70 -0.259 10.476 -6.271 436 1HD1 LEU 70 1HD1 LEU 70 1.061 11.411 -8.419 437 2HD1 LEU 70 2HD1 LEU 70 1.208 9.681 -8.732 438 3HD1 LEU 70 3HD1 LEU 70 -0.389 10.413 -8.564 439 1HD2 LEU 70 1HD2 LEU 70 1.951 8.453 -6.640 440 2HD2 LEU 70 2HD2 LEU 70 0.614 8.417 -5.490 441 3HD2 LEU 70 3HD2 LEU 70 0.313 8.119 -7.203 442 H ALA 71 H ALA 71 4.133 12.140 -4.423 443 HA ALA 71 HA ALA 71 2.724 14.517 -3.313 444 1HB ALA 71 1HB ALA 71 5.276 13.294 -2.241 445 2HB ALA 71 2HB ALA 71 4.684 14.902 -1.815 446 3HB ALA 71 3HB ALA 71 3.742 13.471 -1.385 447 H LEU 72 H LEU 72 3.073 16.100 -4.686 448 HA LEU 72 HA LEU 72 5.586 16.150 -6.289 449 1HB LEU 72 1HB LEU 72 2.897 17.482 -6.652 450 2HB LEU 72 2HB LEU 72 4.289 17.805 -7.685 451 HG LEU 72 HG LEU 72 4.326 15.161 -7.909 452 1HD1 LEU 72 1HD1 LEU 72 1.449 15.806 -7.194 453 2HD1 LEU 72 2HD1 LEU 72 1.970 14.301 -7.953 454 3HD1 LEU 72 3HD1 LEU 72 2.527 14.709 -6.332 455 1HD2 LEU 72 1HD2 LEU 72 3.696 17.163 -9.564 456 2HD2 LEU 72 2HD2 LEU 72 3.422 15.481 -10.015 457 3HD2 LEU 72 3HD2 LEU 72 2.088 16.459 -9.406 458 H GLY 73 H GLY 73 4.002 17.617 -3.681 459 1HA GLY 73 1HA GLY 73 5.214 19.241 -2.288 460 2HA GLY 73 2HA GLY 73 5.904 19.918 -3.769 461 H ALA 74 H ALA 74 3.646 20.058 -5.376 462 HA ALA 74 HA ALA 74 1.959 22.031 -3.901 463 1HB ALA 74 1HB ALA 74 3.389 22.942 -5.762 464 2HB ALA 74 2HB ALA 74 2.490 21.917 -6.880 465 3HB ALA 74 3HB ALA 74 1.661 23.202 -6.000 466 H GLY 75 H GLY 75 1.914 18.965 -5.277 467 1HA GLY 75 1HA GLY 75 -1.029 18.936 -5.219 468 2HA GLY 75 2HA GLY 75 -0.300 18.558 -6.780 469 H SER 76 H SER 76 -1.833 16.633 -5.499 470 HA SER 76 HA SER 76 0.193 14.523 -5.053 471 1HB SER 76 1HB SER 76 -0.363 14.027 -2.874 472 2HB SER 76 2HB SER 76 -0.742 15.746 -2.833 473 HG SER 76 HG SER 76 -2.380 13.590 -2.633 474 H ALA 77 H ALA 77 -1.007 12.332 -4.852 475 HA ALA 77 HA ALA 77 -3.663 12.361 -6.172 476 1HB ALA 77 1HB ALA 77 -1.179 11.766 -7.511 477 2HB ALA 77 2HB ALA 77 -2.195 10.323 -7.468 478 3HB ALA 77 3HB ALA 77 -2.811 11.814 -8.182 479 H LEU 78 H LEU 78 -4.944 10.702 -5.403 480 HA LEU 78 HA LEU 78 -3.655 8.800 -3.510 481 1HB LEU 78 1HB LEU 78 -6.279 10.127 -3.680 482 2HB LEU 78 2HB LEU 78 -6.360 8.421 -3.238 483 HG LEU 78 HG LEU 78 -4.861 8.754 -1.376 484 1HD1 LEU 78 1HD1 LEU 78 -4.475 11.470 -2.633 485 2HD1 LEU 78 2HD1 LEU 78 -4.133 11.205 -0.923 486 3HD1 LEU 78 3HD1 LEU 78 -3.250 10.295 -2.149 487 1HD2 LEU 78 1HD2 LEU 78 -7.091 10.759 -1.660 488 2HD2 LEU 78 2HD2 LEU 78 -7.045 9.290 -0.686 489 3HD2 LEU 78 3HD2 LEU 78 -6.120 10.707 -0.189 490 H LEU 79 H LEU 79 -3.522 6.663 -3.991 491 HA LEU 79 HA LEU 79 -5.023 5.693 -6.378 492 1HB LEU 79 1HB LEU 79 -2.243 5.683 -5.728 493 2HB LEU 79 2HB LEU 79 -2.798 4.016 -5.738 494 HG LEU 79 HG LEU 79 -2.132 5.616 -7.950 495 1HD1 LEU 79 1HD1 LEU 79 -3.519 2.944 -7.659 496 2HD1 LEU 79 2HD1 LEU 79 -2.912 3.555 -9.197 497 3HD1 LEU 79 3HD1 LEU 79 -1.791 3.232 -7.873 498 1HD2 LEU 79 1HD2 LEU 79 -5.097 5.001 -7.864 499 2HD2 LEU 79 2HD2 LEU 79 -4.378 6.616 -7.850 500 3HD2 LEU 79 3HD2 LEU 79 -4.212 5.587 -9.274 501 H GLY 80 H GLY 80 -5.733 3.505 -6.327 502 1HA GLY 80 1HA GLY 80 -5.542 1.947 -3.878 503 2HA GLY 80 2HA GLY 80 -7.144 2.629 -4.142 504 H THR 81 H THR 81 -4.738 0.389 -5.466 505 HA THR 81 HA THR 81 -6.809 -0.606 -7.380 506 HB THR 81 HB THR 81 -5.144 -1.163 -8.833 507 HG1 THR 81 HG1 THR 81 -3.846 -2.638 -8.164 508 1HG2 THR 81 1HG2 THR 81 -4.624 1.193 -8.093 509 2HG2 THR 81 2HG2 THR 81 -3.402 0.516 -7.016 510 3HG2 THR 81 3HG2 THR 81 -3.248 0.312 -8.762 511 H ASP 82 H ASP 82 -6.108 -3.174 -7.771 512 HA ASP 82 HA ASP 82 -5.745 -4.561 -5.195 513 1HB ASP 82 1HB ASP 82 -8.332 -4.469 -6.726 514 2HB ASP 82 2HB ASP 82 -7.884 -5.953 -5.883 515 H VAL 83 H VAL 83 -5.196 -6.852 -5.573 516 HA VAL 83 HA VAL 83 -4.832 -7.518 -8.462 517 HB VAL 83 HB VAL 83 -2.595 -7.427 -8.247 518 1HG1 VAL 83 1HG1 VAL 83 -3.380 -6.148 -5.889 519 2HG1 VAL 83 2HG1 VAL 83 -2.223 -7.378 -5.357 520 3HG1 VAL 83 3HG1 VAL 83 -1.754 -6.183 -6.568 521 1HG2 VAL 83 1HG2 VAL 83 -2.842 -9.827 -7.741 522 2HG2 VAL 83 2HG2 VAL 83 -1.469 -9.136 -6.878 523 3HG2 VAL 83 3HG2 VAL 83 -2.981 -9.446 -6.024 524 H GLN 84 H GLN 84 -4.737 -9.816 -8.900 525 HA GLN 84 HA GLN 84 -5.880 -11.488 -6.697 526 1HB GLN 84 1HB GLN 84 -7.488 -10.905 -8.576 527 2HB GLN 84 2HB GLN 84 -6.443 -11.831 -9.653 528 1HG GLN 84 1HG GLN 84 -6.691 -13.741 -7.919 529 2HG GLN 84 2HG GLN 84 -8.063 -12.816 -7.308 530 1HE2 GLN 84 2HE2 GLN 84 -8.275 -15.428 -8.615 531 2HE2 GLN 84 1HE2 GLN 84 -9.178 -15.201 -10.034 532 H VAL 85 H VAL 85 -3.758 -12.270 -6.164 533 HA VAL 85 HA VAL 85 -2.127 -13.537 -8.236 534 HB VAL 85 HB VAL 85 -1.866 -13.441 -5.218 535 1HG1 VAL 85 1HG1 VAL 85 -0.532 -15.095 -7.196 536 2HG1 VAL 85 2HG1 VAL 85 0.616 -14.012 -6.410 537 3HG1 VAL 85 3HG1 VAL 85 -0.366 -15.109 -5.440 538 1HG2 VAL 85 1HG2 VAL 85 -1.171 -11.654 -7.409 539 2HG2 VAL 85 2HG2 VAL 85 -1.106 -11.362 -5.671 540 3HG2 VAL 85 3HG2 VAL 85 0.258 -12.126 -6.488 541 H GLU 86 H GLU 86 -1.962 -15.742 -8.625 542 HA GLU 86 HA GLU 86 -3.847 -17.494 -7.093 543 1HB GLU 86 1HB GLU 86 -2.940 -17.707 -9.980 544 2HB GLU 86 2HB GLU 86 -4.020 -18.838 -9.165 545 1HG GLU 86 1HG GLU 86 -4.846 -16.025 -8.916 546 2HG GLU 86 2HG GLU 86 -4.849 -16.624 -10.574 547 H ALA 87 H ALA 87 -3.124 -19.887 -7.243 548 HA ALA 87 HA ALA 87 -0.160 -19.991 -6.857 549 1HB ALA 87 1HB ALA 87 -2.418 -21.071 -5.326 550 2HB ALA 87 2HB ALA 87 -1.184 -22.279 -5.683 551 3HB ALA 87 3HB ALA 87 -0.749 -20.802 -4.825 Start of MODEL 11 1 H ALA 8 H ALA 8 -5.732 9.502 -8.697 2 HA ALA 8 HA ALA 8 -4.525 10.324 -11.300 3 1HB ALA 8 1HB ALA 8 -3.220 10.033 -9.031 4 2HB ALA 8 2HB ALA 8 -3.309 8.318 -9.428 5 3HB ALA 8 3HB ALA 8 -2.507 9.437 -10.529 6 H THR 9 H THR 9 -3.824 8.537 -12.730 7 HA THR 9 HA THR 9 -5.973 6.571 -12.993 8 HB THR 9 HB THR 9 -4.257 7.859 -14.771 9 HG1 THR 9 HG1 THR 9 -6.444 6.702 -14.881 10 1HG2 THR 9 1HG2 THR 9 -2.513 6.177 -14.250 11 2HG2 THR 9 2HG2 THR 9 -3.636 4.898 -14.709 12 3HG2 THR 9 3HG2 THR 9 -3.072 6.049 -15.918 13 H LEU 10 H LEU 10 -5.786 4.416 -12.626 14 HA LEU 10 HA LEU 10 -3.424 3.544 -11.053 15 1HB LEU 10 1HB LEU 10 -6.205 2.384 -11.422 16 2HB LEU 10 2HB LEU 10 -4.941 1.610 -10.471 17 HG LEU 10 HG LEU 10 -4.835 3.574 -8.996 18 1HD1 LEU 10 1HD1 LEU 10 -6.972 4.624 -10.862 19 2HD1 LEU 10 2HD1 LEU 10 -6.732 5.267 -9.235 20 3HD1 LEU 10 3HD1 LEU 10 -5.441 5.389 -10.431 21 1HD2 LEU 10 1HD2 LEU 10 -6.631 1.629 -8.874 22 2HD2 LEU 10 2HD2 LEU 10 -6.712 2.998 -7.766 23 3HD2 LEU 10 3HD2 LEU 10 -7.754 2.951 -9.186 24 H VAL 11 H VAL 11 -1.886 2.831 -12.611 25 HA VAL 11 HA VAL 11 -2.926 0.766 -14.507 26 HB VAL 11 HB VAL 11 -0.387 2.367 -14.794 27 1HG1 VAL 11 1HG1 VAL 11 -1.695 0.144 -16.234 28 2HG1 VAL 11 2HG1 VAL 11 -1.176 1.473 -17.268 29 3HG1 VAL 11 3HG1 VAL 11 -0.005 0.645 -16.243 30 1HG2 VAL 11 1HG2 VAL 11 -3.215 2.926 -15.512 31 2HG2 VAL 11 2HG2 VAL 11 -1.879 4.048 -15.254 32 3HG2 VAL 11 3HG2 VAL 11 -2.037 3.205 -16.795 33 H GLY 12 H GLY 12 -2.424 -1.250 -13.822 34 1HA GLY 12 1HA GLY 12 0.186 -1.631 -12.400 35 2HA GLY 12 2HA GLY 12 -1.270 -2.536 -11.977 36 HA PRO 13 HA PRO 13 0.055 -4.023 -16.364 37 1HB PRO 13 1HB PRO 13 2.547 -3.201 -17.189 38 2HB PRO 13 2HB PRO 13 1.038 -2.358 -17.580 39 1HG PRO 13 1HG PRO 13 3.122 -1.649 -15.548 40 2HG PRO 13 2HG PRO 13 2.073 -0.581 -16.499 41 1HD PRO 13 1HD PRO 13 1.636 -1.228 -13.824 42 2HD PRO 13 2HD PRO 13 0.381 -0.659 -14.941 43 H HIS 14 H HIS 14 1.043 -5.914 -16.817 44 HA HIS 14 HA HIS 14 3.383 -7.120 -16.386 45 1HB HIS 14 1HB HIS 14 2.353 -6.506 -13.749 46 2HB HIS 14 2HB HIS 14 2.478 -8.251 -13.962 47 HD1 HIS 14 HD1 HIS 14 4.655 -5.236 -14.858 48 HD2 HIS 14 HD2 HIS 14 5.028 -9.133 -13.429 49 HE1 HIS 14 HE1 HIS 14 7.129 -5.628 -14.488 50 H GLY 15 H GLY 15 3.148 -9.607 -15.998 51 1HA GLY 15 1HA GLY 15 0.839 -10.483 -17.552 52 2HA GLY 15 2HA GLY 15 2.109 -11.525 -16.908 53 HA PRO 16 HA PRO 16 -1.417 -12.506 -14.252 54 1HB PRO 16 1HB PRO 16 -0.593 -15.097 -13.824 55 2HB PRO 16 2HB PRO 16 -1.563 -14.596 -15.220 56 1HG PRO 16 1HG PRO 16 1.335 -15.295 -15.104 57 2HG PRO 16 2HG PRO 16 0.208 -15.403 -16.467 58 1HD PRO 16 1HD PRO 16 2.135 -13.369 -16.075 59 2HD PRO 16 2HD PRO 16 0.782 -13.316 -17.227 60 H LEU 17 H LEU 17 -1.427 -12.795 -11.927 61 HA LEU 17 HA LEU 17 1.259 -12.395 -10.702 62 1HB LEU 17 1HB LEU 17 -1.533 -11.686 -9.788 63 2HB LEU 17 2HB LEU 17 -0.145 -11.638 -8.700 64 HG LEU 17 HG LEU 17 -0.141 -10.203 -11.360 65 1HD1 LEU 17 1HD1 LEU 17 -2.023 -9.529 -9.683 66 2HD1 LEU 17 2HD1 LEU 17 -0.705 -8.851 -8.729 67 3HD1 LEU 17 3HD1 LEU 17 -1.006 -8.259 -10.363 68 1HD2 LEU 17 1HD2 LEU 17 1.906 -10.774 -9.682 69 2HD2 LEU 17 2HD2 LEU 17 1.850 -9.302 -10.651 70 3HD2 LEU 17 3HD2 LEU 17 1.349 -9.266 -8.960 71 H ALA 18 H ALA 18 1.874 -14.592 -10.553 72 HA ALA 18 HA ALA 18 0.079 -16.457 -9.134 73 1HB ALA 18 1HB ALA 18 2.663 -16.676 -10.629 74 2HB ALA 18 2HB ALA 18 2.304 -17.900 -9.411 75 3HB ALA 18 3HB ALA 18 1.204 -17.658 -10.769 76 H SER 19 H SER 19 1.152 -17.734 -7.274 77 HA SER 19 HA SER 19 1.800 -15.992 -5.151 78 1HB SER 19 1HB SER 19 1.149 -18.129 -4.455 79 2HB SER 19 2HB SER 19 2.216 -18.936 -5.602 80 HG SER 19 HG SER 19 3.325 -17.265 -3.645 81 H GLY 20 H GLY 20 3.532 -14.672 -5.077 82 1HA GLY 20 1HA GLY 20 5.894 -14.299 -4.762 83 2HA GLY 20 2HA GLY 20 6.218 -15.820 -5.598 84 H GLN 21 H GLN 21 4.076 -13.226 -6.705 85 HA GLN 21 HA GLN 21 5.810 -12.994 -9.128 86 1HB GLN 21 1HB GLN 21 3.381 -13.727 -9.349 87 2HB GLN 21 2HB GLN 21 2.939 -12.088 -8.869 88 1HG GLN 21 1HG GLN 21 2.971 -11.994 -11.229 89 2HG GLN 21 2HG GLN 21 4.531 -11.322 -10.761 90 1HE2 GLN 21 2HE2 GLN 21 2.959 -14.046 -12.328 91 2HE2 GLN 21 1HE2 GLN 21 4.382 -14.832 -12.814 92 H LEU 22 H LEU 22 6.421 -10.963 -9.892 93 HA LEU 22 HA LEU 22 6.102 -8.709 -7.961 94 1HB LEU 22 1HB LEU 22 8.435 -9.612 -8.564 95 2HB LEU 22 2HB LEU 22 8.165 -8.937 -10.167 96 HG LEU 22 HG LEU 22 9.439 -7.437 -8.556 97 1HD1 LEU 22 1HD1 LEU 22 7.919 -6.714 -10.585 98 2HD1 LEU 22 2HD1 LEU 22 6.866 -6.088 -9.316 99 3HD1 LEU 22 3HD1 LEU 22 8.517 -5.494 -9.463 100 1HD2 LEU 22 1HD2 LEU 22 7.402 -8.142 -6.814 101 2HD2 LEU 22 2HD2 LEU 22 8.548 -6.823 -6.574 102 3HD2 LEU 22 3HD2 LEU 22 6.970 -6.500 -7.292 103 H ALA 23 H ALA 23 4.141 -7.826 -8.800 104 HA ALA 23 HA ALA 23 3.834 -7.364 -11.674 105 1HB ALA 23 1HB ALA 23 2.197 -7.033 -9.259 106 2HB ALA 23 2HB ALA 23 2.021 -5.694 -10.398 107 3HB ALA 23 3HB ALA 23 1.691 -7.348 -10.921 108 H ALA 24 H ALA 24 3.706 -5.104 -12.595 109 HA ALA 24 HA ALA 24 5.355 -3.224 -10.943 110 1HB ALA 24 1HB ALA 24 5.445 -3.649 -13.944 111 2HB ALA 24 2HB ALA 24 6.312 -2.377 -13.083 112 3HB ALA 24 3HB ALA 24 6.709 -4.072 -12.781 113 H PHE 25 H PHE 25 4.175 -1.501 -10.396 114 HA PHE 25 HA PHE 25 1.762 -0.843 -12.011 115 1HB PHE 25 1HB PHE 25 2.578 -0.154 -9.180 116 2HB PHE 25 2HB PHE 25 1.112 0.432 -9.951 117 HD1 PHE 25 HD1 PHE 25 2.844 -2.935 -9.657 118 HD2 PHE 25 HD2 PHE 25 -0.786 -0.650 -9.267 119 HE1 PHE 25 HE1 PHE 25 1.630 -4.961 -8.922 120 HE2 PHE 25 HE2 PHE 25 -1.986 -2.690 -8.543 121 HZ PHE 25 HZ PHE 25 -0.780 -4.846 -8.370 122 H HIS 26 H HIS 26 1.158 1.518 -11.955 123 HA HIS 26 HA HIS 26 3.159 3.529 -11.545 124 1HB HIS 26 1HB HIS 26 3.762 4.173 -13.708 125 2HB HIS 26 2HB HIS 26 3.813 2.420 -13.811 126 HD1 HIS 26 HD1 HIS 26 1.162 5.136 -14.400 127 HD2 HIS 26 HD2 HIS 26 2.528 1.564 -16.057 128 HE1 HIS 26 HE1 HIS 26 -0.247 4.711 -16.460 129 H ILE 27 H ILE 27 2.191 5.567 -11.487 130 HA ILE 27 HA ILE 27 -0.783 5.520 -11.750 131 HB ILE 27 HB ILE 27 0.766 7.584 -10.199 132 1HG1 ILE 27 1HG1 ILE 27 1.651 5.398 -9.490 133 2HG1 ILE 27 2HG1 ILE 27 0.623 6.087 -8.231 134 1HG2 ILE 27 1HG2 ILE 27 -1.992 6.389 -10.190 135 2HG2 ILE 27 2HG2 ILE 27 -1.350 7.134 -8.721 136 3HG2 ILE 27 3HG2 ILE 27 -1.513 8.087 -10.201 137 1HD1 ILE 27 1HD1 ILE 27 -1.265 4.759 -9.570 138 2HD1 ILE 27 2HD1 ILE 27 0.111 3.761 -10.027 139 3HD1 ILE 27 3HD1 ILE 27 -0.294 3.976 -8.324 140 H ALA 28 H ALA 28 -1.845 7.424 -12.658 141 HA ALA 28 HA ALA 28 0.018 9.233 -14.166 142 1HB ALA 28 1HB ALA 28 -1.114 7.235 -15.478 143 2HB ALA 28 2HB ALA 28 -2.504 8.324 -15.480 144 3HB ALA 28 3HB ALA 28 -0.981 8.834 -16.211 145 H ALA 29 H ALA 29 -0.449 11.265 -13.439 146 HA ALA 29 HA ALA 29 -2.967 12.488 -13.909 147 1HB ALA 29 1HB ALA 29 -2.789 11.076 -11.381 148 2HB ALA 29 2HB ALA 29 -3.063 12.799 -11.129 149 3HB ALA 29 3HB ALA 29 -4.180 11.865 -12.123 150 HA PRO 30 HA PRO 30 -0.264 15.541 -11.493 151 1HB PRO 30 1HB PRO 30 1.728 14.548 -9.878 152 2HB PRO 30 2HB PRO 30 0.066 14.810 -9.327 153 1HG PRO 30 1HG PRO 30 1.457 12.253 -9.943 154 2HG PRO 30 2HG PRO 30 0.076 12.551 -8.877 155 1HD PRO 30 1HD PRO 30 -0.030 11.470 -11.500 156 2HD PRO 30 2HD PRO 30 -1.408 12.015 -10.522 157 H LEU 31 H LEU 31 0.325 14.952 -13.971 158 HA LEU 31 HA LEU 31 2.293 13.937 -15.276 159 1HB LEU 31 1HB LEU 31 1.403 16.707 -15.228 160 2HB LEU 31 2HB LEU 31 3.056 16.542 -15.825 161 HG LEU 31 HG LEU 31 1.635 14.416 -16.991 162 1HD1 LEU 31 1HD1 LEU 31 0.066 17.004 -16.981 163 2HD1 LEU 31 2HD1 LEU 31 -0.167 15.746 -18.195 164 3HD1 LEU 31 3HD1 LEU 31 -0.495 15.405 -16.496 165 1HD2 LEU 31 1HD2 LEU 31 3.487 15.796 -17.953 166 2HD2 LEU 31 2HD2 LEU 31 2.132 15.600 -19.065 167 3HD2 LEU 31 3HD2 LEU 31 2.339 17.115 -18.185 168 HA PRO 32 HA PRO 32 6.158 15.956 -13.452 169 1HB PRO 32 1HB PRO 32 5.890 17.912 -11.536 170 2HB PRO 32 2HB PRO 32 5.935 18.241 -13.276 171 1HG PRO 32 1HG PRO 32 3.600 18.275 -11.421 172 2HG PRO 32 2HG PRO 32 3.847 19.170 -12.928 173 1HD PRO 32 1HD PRO 32 2.256 16.856 -12.628 174 2HD PRO 32 2HD PRO 32 2.797 17.558 -14.166 175 H VAL 33 H VAL 33 5.572 13.675 -12.434 176 HA VAL 33 HA VAL 33 5.260 13.834 -9.479 177 HB VAL 33 HB VAL 33 5.536 11.273 -11.047 178 1HG1 VAL 33 1HG1 VAL 33 5.596 11.314 -8.531 179 2HG1 VAL 33 2HG1 VAL 33 3.960 11.975 -8.553 180 3HG1 VAL 33 3HG1 VAL 33 4.269 10.361 -9.194 181 1HG2 VAL 33 1HG2 VAL 33 3.019 12.899 -10.612 182 2HG2 VAL 33 2HG2 VAL 33 3.774 12.553 -12.169 183 3HG2 VAL 33 3HG2 VAL 33 3.059 11.246 -11.224 184 H THR 34 H THR 34 6.927 13.411 -8.104 185 HA THR 34 HA THR 34 9.517 12.588 -9.336 186 HB THR 34 HB THR 34 9.612 14.837 -8.354 187 HG1 THR 34 HG1 THR 34 11.184 14.238 -6.614 188 1HG2 THR 34 1HG2 THR 34 8.317 13.412 -6.069 189 2HG2 THR 34 2HG2 THR 34 9.418 14.739 -5.701 190 3HG2 THR 34 3HG2 THR 34 8.000 15.022 -6.712 191 H ALA 35 H ALA 35 7.064 11.699 -7.128 192 HA ALA 35 HA ALA 35 8.162 9.118 -6.659 193 1HB ALA 35 1HB ALA 35 8.907 11.285 -4.810 194 2HB ALA 35 2HB ALA 35 8.292 9.830 -4.026 195 3HB ALA 35 3HB ALA 35 9.695 9.732 -5.091 196 H THR 36 H THR 36 6.681 7.798 -5.477 197 HA THR 36 HA THR 36 4.263 9.162 -4.396 198 HB THR 36 HB THR 36 3.081 8.504 -6.210 199 HG1 THR 36 HG1 THR 36 2.462 6.278 -6.111 200 1HG2 THR 36 1HG2 THR 36 5.494 6.845 -6.789 201 2HG2 THR 36 2HG2 THR 36 3.990 6.489 -7.638 202 3HG2 THR 36 3HG2 THR 36 4.719 8.087 -7.774 203 H ARG 37 H ARG 37 3.511 8.159 -2.544 204 HA ARG 37 HA ARG 37 5.135 5.922 -1.529 205 1HB ARG 37 1HB ARG 37 3.477 8.041 -0.366 206 2HB ARG 37 2HB ARG 37 3.230 6.469 0.396 207 1HG ARG 37 1HG ARG 37 5.165 6.720 1.511 208 2HG ARG 37 2HG ARG 37 6.027 6.773 -0.027 209 1HD ARG 37 1HD ARG 37 6.565 8.823 1.050 210 2HD ARG 37 2HD ARG 37 5.340 9.241 -0.149 211 HE ARG 37 HE ARG 37 3.709 9.424 1.663 212 1HH1 ARG 37 1HH1 ARG 37 6.755 10.415 2.381 213 2HH1 ARG 37 2HH1 ARG 37 6.639 10.236 4.099 214 1HH2 ARG 37 1HH2 ARG 37 3.636 8.504 3.979 215 2HH2 ARG 37 2HH2 ARG 37 4.871 9.154 5.005 216 H TRP 38 H TRP 38 4.440 3.987 -2.394 217 HA TRP 38 HA TRP 38 1.552 3.530 -2.814 218 1HB TRP 38 1HB TRP 38 3.880 1.649 -3.213 219 2HB TRP 38 2HB TRP 38 2.222 1.357 -3.710 220 HD1 TRP 38 HD1 TRP 38 4.821 4.180 -4.276 221 HE1 TRP 38 HE1 TRP 38 4.717 4.834 -6.764 222 HE3 TRP 38 HE3 TRP 38 1.094 1.078 -5.835 223 HZ2 TRP 38 HZ2 TRP 38 3.249 4.131 -9.108 224 HZ3 TRP 38 HZ3 TRP 38 0.352 1.094 -8.197 225 HH2 TRP 38 HH2 TRP 38 1.429 2.612 -9.833 226 H ASP 39 H ASP 39 0.891 1.188 -2.125 227 HA ASP 39 HA ASP 39 1.994 0.397 0.480 228 1HB ASP 39 1HB ASP 39 -0.615 1.768 0.126 229 2HB ASP 39 2HB ASP 39 -0.659 0.310 1.117 230 H PHE 40 H PHE 40 2.461 -1.660 -0.253 231 HA PHE 40 HA PHE 40 0.591 -3.009 -2.054 232 1HB PHE 40 1HB PHE 40 2.881 -4.367 -0.642 233 2HB PHE 40 2HB PHE 40 2.133 -4.780 -2.180 234 HD1 PHE 40 HD1 PHE 40 2.071 -1.586 -2.871 235 HD2 PHE 40 HD2 PHE 40 5.075 -4.495 -1.843 236 HE1 PHE 40 HE1 PHE 40 3.778 -0.274 -4.096 237 HE2 PHE 40 HE2 PHE 40 6.772 -3.168 -3.057 238 HZ PHE 40 HZ PHE 40 6.125 -1.064 -4.189 239 H GLY 41 H GLY 41 1.835 -3.848 1.201 240 1HA GLY 41 1HA GLY 41 0.484 -4.625 3.024 241 2HA GLY 41 2HA GLY 41 -0.881 -4.787 1.914 242 H ASP 42 H ASP 42 2.082 -6.066 0.736 243 HA ASP 42 HA ASP 42 1.095 -8.815 1.281 244 1HB ASP 42 1HB ASP 42 2.855 -9.333 -0.596 245 2HB ASP 42 2HB ASP 42 1.300 -8.647 -1.052 246 H GLY 43 H GLY 43 4.357 -8.469 0.295 247 1HA GLY 43 1HA GLY 43 5.262 -9.332 2.944 248 2HA GLY 43 2HA GLY 43 6.273 -9.175 1.503 249 H SER 44 H SER 44 4.861 -6.421 1.159 250 HA SER 44 HA SER 44 6.310 -4.924 3.287 251 1HB SER 44 1HB SER 44 6.354 -3.971 0.436 252 2HB SER 44 2HB SER 44 7.449 -3.566 1.755 253 HG SER 44 HG SER 44 7.316 -5.877 0.158 254 H ALA 45 H ALA 45 4.941 -3.450 4.184 255 HA ALA 45 HA ALA 45 2.339 -2.958 2.947 256 1HB ALA 45 1HB ALA 45 3.635 -2.187 5.541 257 2HB ALA 45 2HB ALA 45 2.154 -1.383 5.020 258 3HB ALA 45 3HB ALA 45 2.168 -3.128 5.272 259 H GLU 46 H GLU 46 4.235 -0.469 4.496 260 HA GLU 46 HA GLU 46 3.458 1.618 2.745 261 1HB GLU 46 1HB GLU 46 5.918 1.366 4.498 262 2HB GLU 46 2HB GLU 46 5.398 2.863 3.725 263 1HG GLU 46 1HG GLU 46 3.160 2.553 4.892 264 2HG GLU 46 2HG GLU 46 3.917 1.259 5.822 265 H VAL 47 H VAL 47 4.574 2.651 1.011 266 HA VAL 47 HA VAL 47 6.902 1.160 -0.111 267 HB VAL 47 HB VAL 47 4.519 2.065 -1.741 268 1HG1 VAL 47 1HG1 VAL 47 6.858 1.844 -2.770 269 2HG1 VAL 47 2HG1 VAL 47 6.710 0.115 -2.458 270 3HG1 VAL 47 3HG1 VAL 47 5.568 0.918 -3.535 271 1HG2 VAL 47 1HG2 VAL 47 4.299 0.067 0.002 272 2HG2 VAL 47 2HG2 VAL 47 3.618 -0.053 -1.617 273 3HG2 VAL 47 3HG2 VAL 47 5.166 -0.814 -1.255 274 H ASP 48 H ASP 48 8.478 2.530 -0.766 275 HA ASP 48 HA ASP 48 7.759 5.396 -1.228 276 1HB ASP 48 1HB ASP 48 10.121 4.030 -0.031 277 2HB ASP 48 2HB ASP 48 10.463 5.431 -1.046 278 H ALA 49 H ALA 49 7.173 5.115 -3.430 279 HA ALA 49 HA ALA 49 9.164 3.855 -5.232 280 1HB ALA 49 1HB ALA 49 6.514 3.598 -5.196 281 2HB ALA 49 2HB ALA 49 6.612 5.011 -6.250 282 3HB ALA 49 3HB ALA 49 7.434 3.512 -6.696 283 H ALA 50 H ALA 50 9.883 4.921 -7.158 284 HA ALA 50 HA ALA 50 10.258 7.832 -6.782 285 1HB ALA 50 1HB ALA 50 11.741 5.662 -8.062 286 2HB ALA 50 2HB ALA 50 11.602 7.081 -9.101 287 3HB ALA 50 3HB ALA 50 12.318 7.230 -7.496 288 H GLY 51 H GLY 51 9.729 9.347 -8.452 289 1HA GLY 51 1HA GLY 51 8.178 10.254 -9.971 290 2HA GLY 51 2HA GLY 51 8.619 8.863 -10.969 291 HA PRO 52 HA PRO 52 4.289 8.109 -9.736 292 1HB PRO 52 1HB PRO 52 3.313 7.896 -12.291 293 2HB PRO 52 2HB PRO 52 3.430 9.438 -11.428 294 1HG PRO 52 1HG PRO 52 5.068 8.440 -13.691 295 2HG PRO 52 2HG PRO 52 4.820 10.104 -13.139 296 1HD PRO 52 1HD PRO 52 7.103 8.425 -12.626 297 2HD PRO 52 2HD PRO 52 6.806 10.062 -12.000 298 H ALA 53 H ALA 53 6.529 6.122 -9.902 299 HA ALA 53 HA ALA 53 4.908 3.891 -11.038 300 1HB ALA 53 1HB ALA 53 7.245 4.967 -12.270 301 2HB ALA 53 2HB ALA 53 7.625 3.348 -11.683 302 3HB ALA 53 3HB ALA 53 6.269 3.591 -12.784 303 H ALA 54 H ALA 54 5.339 1.846 -10.189 304 HA ALA 54 HA ALA 54 7.444 1.384 -8.213 305 1HB ALA 54 1HB ALA 54 5.660 2.597 -6.897 306 2HB ALA 54 2HB ALA 54 4.553 1.284 -7.290 307 3HB ALA 54 3HB ALA 54 5.986 0.966 -6.311 308 H SER 55 H SER 55 6.445 -0.894 -7.029 309 HA SER 55 HA SER 55 5.192 -2.577 -9.097 310 1HB SER 55 1HB SER 55 7.299 -4.195 -8.487 311 2HB SER 55 2HB SER 55 7.213 -3.185 -9.927 312 HG SER 55 HG SER 55 9.065 -2.552 -9.007 313 H HIS 56 H HIS 56 4.478 -4.642 -8.191 314 HA HIS 56 HA HIS 56 4.398 -4.557 -5.203 315 1HB HIS 56 1HB HIS 56 2.399 -5.277 -7.288 316 2HB HIS 56 2HB HIS 56 2.336 -6.138 -5.750 317 HD1 HIS 56 HD1 HIS 56 2.577 -2.516 -6.948 318 HD2 HIS 56 HD2 HIS 56 1.012 -4.745 -3.802 319 HE1 HIS 56 HE1 HIS 56 1.316 -0.891 -5.464 320 H ARG 57 H ARG 57 5.117 -6.271 -4.079 321 HA ARG 57 HA ARG 57 6.009 -8.671 -5.610 322 1HB ARG 57 1HB ARG 57 7.366 -9.136 -3.505 323 2HB ARG 57 2HB ARG 57 7.850 -7.704 -4.409 324 1HG ARG 57 1HG ARG 57 5.796 -6.972 -2.530 325 2HG ARG 57 2HG ARG 57 7.064 -7.853 -1.684 326 1HD ARG 57 1HD ARG 57 7.425 -5.347 -1.839 327 2HD ARG 57 2HD ARG 57 8.755 -6.329 -2.444 328 HE ARG 57 HE ARG 57 6.735 -5.082 -4.269 329 1HH1 ARG 57 1HH1 ARG 57 9.638 -6.804 -4.058 330 2HH1 ARG 57 2HH1 ARG 57 10.492 -5.820 -5.195 331 1HH2 ARG 57 1HH2 ARG 57 7.972 -3.456 -5.466 332 2HH2 ARG 57 2HH2 ARG 57 9.552 -3.930 -5.992 333 H TYR 58 H TYR 58 3.904 -9.637 -5.650 334 HA TYR 58 HA TYR 58 2.587 -10.179 -3.065 335 1HB TYR 58 1HB TYR 58 1.852 -10.710 -5.952 336 2HB TYR 58 2HB TYR 58 0.879 -11.307 -4.608 337 HD1 TYR 58 HD1 TYR 58 0.795 -9.402 -2.632 338 HD2 TYR 58 HD2 TYR 58 0.945 -8.750 -6.868 339 HE1 TYR 58 HE1 TYR 58 -0.284 -7.200 -2.325 340 HE2 TYR 58 HE2 TYR 58 -0.140 -6.541 -6.561 341 HH TYR 58 HH TYR 58 -0.899 -5.334 -3.291 342 H VAL 59 H VAL 59 2.954 -12.009 -1.930 343 HA VAL 59 HA VAL 59 4.283 -14.269 -3.364 344 HB VAL 59 HB VAL 59 4.453 -13.457 -0.452 345 1HG1 VAL 59 1HG1 VAL 59 4.538 -15.919 -0.794 346 2HG1 VAL 59 2HG1 VAL 59 5.850 -15.695 -1.951 347 3HG1 VAL 59 3HG1 VAL 59 6.088 -15.275 -0.254 348 1HG2 VAL 59 1HG2 VAL 59 5.813 -12.507 -2.723 349 2HG2 VAL 59 2HG2 VAL 59 6.285 -12.275 -1.040 350 3HG2 VAL 59 3HG2 VAL 59 6.931 -13.636 -1.958 351 H LEU 60 H LEU 60 1.707 -13.459 -1.032 352 HA LEU 60 HA LEU 60 0.997 -16.323 -0.811 353 1HB LEU 60 1HB LEU 60 0.773 -14.184 0.924 354 2HB LEU 60 2HB LEU 60 -0.873 -14.353 0.318 355 HG LEU 60 HG LEU 60 0.275 -16.951 0.911 356 1HD1 LEU 60 1HD1 LEU 60 0.920 -14.812 2.748 357 2HD1 LEU 60 2HD1 LEU 60 -0.174 -15.962 3.517 358 3HD1 LEU 60 3HD1 LEU 60 1.358 -16.518 2.841 359 1HD2 LEU 60 1HD2 LEU 60 -2.198 -15.725 0.850 360 2HD2 LEU 60 2HD2 LEU 60 -1.882 -17.324 1.524 361 3HD2 LEU 60 3HD2 LEU 60 -1.914 -15.913 2.581 362 HA PRO 61 HA PRO 61 -2.011 -16.038 -4.022 363 1HB PRO 61 1HB PRO 61 -3.451 -18.286 -3.363 364 2HB PRO 61 2HB PRO 61 -1.875 -18.335 -4.171 365 1HG PRO 61 1HG PRO 61 -2.549 -18.960 -1.334 366 2HG PRO 61 2HG PRO 61 -1.214 -19.564 -2.328 367 1HD PRO 61 1HD PRO 61 -1.027 -17.546 -0.357 368 2HD PRO 61 2HD PRO 61 0.202 -17.921 -1.582 369 H GLY 62 H GLY 62 -3.788 -14.706 -4.045 370 1HA GLY 62 1HA GLY 62 -6.240 -14.976 -2.887 371 2HA GLY 62 2HA GLY 62 -5.310 -14.252 -1.573 372 H ARG 63 H ARG 63 -6.633 -12.312 -1.740 373 HA ARG 63 HA ARG 63 -6.033 -10.696 -4.181 374 1HB ARG 63 1HB ARG 63 -8.447 -10.884 -2.422 375 2HB ARG 63 2HB ARG 63 -8.090 -9.341 -3.202 376 1HG ARG 63 1HG ARG 63 -9.437 -10.427 -4.793 377 2HG ARG 63 2HG ARG 63 -7.803 -10.772 -5.362 378 1HD ARG 63 1HD ARG 63 -7.847 -12.963 -4.297 379 2HD ARG 63 2HD ARG 63 -9.422 -12.618 -3.585 380 HE ARG 63 HE ARG 63 -8.915 -13.140 -6.469 381 1HH1 ARG 63 1HH2 ARG 63 -10.689 -14.789 -4.610 382 2HH1 ARG 63 2HH2 ARG 63 -12.265 -14.261 -5.099 383 1HH2 ARG 63 1HH1 ARG 63 -11.090 -11.457 -6.770 384 2HH2 ARG 63 2HH1 ARG 63 -12.491 -12.371 -6.324 385 H TYR 64 H TYR 64 -4.938 -8.798 -3.895 386 HA TYR 64 HA TYR 64 -4.412 -7.949 -1.067 387 1HB TYR 64 1HB TYR 64 -2.712 -7.716 -3.555 388 2HB TYR 64 2HB TYR 64 -2.343 -6.884 -2.051 389 HD1 TYR 64 HD1 TYR 64 -2.681 -10.202 -3.664 390 HD2 TYR 64 HD2 TYR 64 -1.408 -8.049 -0.169 391 HE1 TYR 64 HE1 TYR 64 -1.460 -12.207 -2.869 392 HE2 TYR 64 HE2 TYR 64 -0.202 -10.057 0.629 393 HH TYR 64 HH TYR 64 0.443 -12.115 0.147 394 H HIS 65 H HIS 65 -4.438 -5.687 -0.641 395 HA HIS 65 HA HIS 65 -5.892 -4.090 -2.699 396 1HB HIS 65 1HB HIS 65 -7.062 -4.193 -0.572 397 2HB HIS 65 2HB HIS 65 -5.603 -3.714 0.299 398 HD1 HIS 65 HD1 HIS 65 -8.333 -2.361 -1.885 399 HD2 HIS 65 HD2 HIS 65 -4.942 -0.945 0.082 400 HE1 HIS 65 HE1 HIS 65 -8.452 0.167 -1.982 401 H VAL 66 H VAL 66 -4.804 -2.434 -3.672 402 HA VAL 66 HA VAL 66 -2.119 -1.719 -2.574 403 HB VAL 66 HB VAL 66 -3.210 -1.501 -5.392 404 1HG1 VAL 66 1HG1 VAL 66 -0.509 -0.818 -4.192 405 2HG1 VAL 66 2HG1 VAL 66 -0.800 -0.980 -5.928 406 3HG1 VAL 66 3HG1 VAL 66 -1.624 0.281 -5.012 407 1HG2 VAL 66 1HG2 VAL 66 -1.457 -3.462 -3.961 408 2HG2 VAL 66 2HG2 VAL 66 -2.776 -3.766 -5.091 409 3HG2 VAL 66 3HG2 VAL 66 -1.222 -3.180 -5.685 410 H THR 67 H THR 67 -1.486 0.527 -2.672 411 HA THR 67 HA THR 67 -3.553 2.537 -3.293 412 HB THR 67 HB THR 67 -4.003 3.204 -1.172 413 HG1 THR 67 HG1 THR 67 -2.427 3.912 0.068 414 1HG2 THR 67 1HG2 THR 67 -4.140 0.728 -0.929 415 2HG2 THR 67 2HG2 THR 67 -2.471 0.717 -0.363 416 3HG2 THR 67 3HG2 THR 67 -3.718 1.534 0.580 417 H ALA 68 H ALA 68 -2.543 4.746 -3.391 418 HA ALA 68 HA ALA 68 0.400 4.797 -3.160 419 1HB ALA 68 1HB ALA 68 -0.590 4.006 -5.578 420 2HB ALA 68 2HB ALA 68 -0.459 5.751 -5.813 421 3HB ALA 68 3HB ALA 68 0.962 4.811 -5.351 422 H VAL 69 H VAL 69 0.946 6.711 -2.351 423 HA VAL 69 HA VAL 69 -0.890 9.021 -2.682 424 HB VAL 69 HB VAL 69 1.587 9.281 -1.056 425 1HG1 VAL 69 1HG1 VAL 69 -1.282 10.146 -0.982 426 2HG1 VAL 69 2HG1 VAL 69 -0.352 10.150 0.517 427 3HG1 VAL 69 3HG1 VAL 69 0.181 11.120 -0.855 428 1HG2 VAL 69 1HG2 VAL 69 -0.537 7.234 -0.539 429 2HG2 VAL 69 2HG2 VAL 69 1.188 7.176 -0.172 430 3HG2 VAL 69 3HG2 VAL 69 0.102 8.132 0.837 431 H LEU 70 H LEU 70 -0.340 10.564 -4.183 432 HA LEU 70 HA LEU 70 2.253 10.258 -5.566 433 1HB LEU 70 1HB LEU 70 -0.060 12.155 -6.049 434 2HB LEU 70 2HB LEU 70 1.396 12.093 -7.028 435 HG LEU 70 HG LEU 70 -0.691 10.817 -7.869 436 1HD1 LEU 70 1HD1 LEU 70 1.887 10.584 -8.415 437 2HD1 LEU 70 2HD1 LEU 70 1.638 8.985 -7.711 438 3HD1 LEU 70 3HD1 LEU 70 0.684 9.495 -9.106 439 1HD2 LEU 70 1HD2 LEU 70 -1.102 9.719 -5.633 440 2HD2 LEU 70 2HD2 LEU 70 -1.051 8.608 -7.002 441 3HD2 LEU 70 3HD2 LEU 70 0.339 8.743 -5.922 442 H ALA 71 H ALA 71 3.924 11.818 -5.467 443 HA ALA 71 HA ALA 71 3.351 14.154 -3.709 444 1HB ALA 71 1HB ALA 71 5.818 12.418 -3.595 445 2HB ALA 71 2HB ALA 71 5.631 13.976 -2.781 446 3HB ALA 71 3HB ALA 71 4.600 12.615 -2.332 447 H LEU 72 H LEU 72 3.488 15.805 -4.984 448 HA LEU 72 HA LEU 72 5.588 15.915 -7.105 449 1HB LEU 72 1HB LEU 72 3.025 17.449 -6.657 450 2HB LEU 72 2HB LEU 72 4.190 17.867 -7.912 451 HG LEU 72 HG LEU 72 3.937 15.291 -8.530 452 1HD1 LEU 72 1HD1 LEU 72 2.205 15.343 -6.441 453 2HD1 LEU 72 2HD1 LEU 72 1.102 15.726 -7.760 454 3HD1 LEU 72 3HD1 LEU 72 2.041 14.234 -7.800 455 1HD2 LEU 72 1HD2 LEU 72 2.978 17.709 -9.527 456 2HD2 LEU 72 2HD2 LEU 72 2.931 16.158 -10.365 457 3HD2 LEU 72 3HD2 LEU 72 1.535 16.699 -9.434 458 H GLY 73 H GLY 73 4.798 17.031 -4.022 459 1HA GLY 73 1HA GLY 73 6.480 18.346 -2.776 460 2HA GLY 73 2HA GLY 73 6.772 19.263 -4.259 461 H ALA 74 H ALA 74 4.196 19.736 -5.125 462 HA ALA 74 HA ALA 74 3.020 21.347 -2.898 463 1HB ALA 74 1HB ALA 74 3.084 21.979 -5.860 464 2HB ALA 74 2HB ALA 74 2.311 22.967 -4.621 465 3HB ALA 74 3HB ALA 74 4.063 22.767 -4.623 466 H GLY 75 H GLY 75 2.496 18.738 -4.944 467 1HA GLY 75 1HA GLY 75 -0.418 18.875 -4.415 468 2HA GLY 75 2HA GLY 75 0.104 18.634 -6.082 469 H SER 76 H SER 76 -1.446 16.696 -4.834 470 HA SER 76 HA SER 76 0.416 14.393 -4.860 471 1HB SER 76 1HB SER 76 -0.065 13.639 -2.701 472 2HB SER 76 2HB SER 76 -0.023 15.381 -2.449 473 HG SER 76 HG SER 76 -2.015 15.206 -1.839 474 H ALA 77 H ALA 77 -1.150 12.347 -4.367 475 HA ALA 77 HA ALA 77 -3.843 12.671 -5.489 476 1HB ALA 77 1HB ALA 77 -1.709 12.147 -7.246 477 2HB ALA 77 2HB ALA 77 -2.476 10.580 -6.986 478 3HB ALA 77 3HB ALA 77 -3.427 11.939 -7.589 479 H LEU 78 H LEU 78 -4.991 10.492 -5.435 480 HA LEU 78 HA LEU 78 -3.747 8.738 -3.357 481 1HB LEU 78 1HB LEU 78 -6.065 10.234 -3.090 482 2HB LEU 78 2HB LEU 78 -6.666 8.630 -3.508 483 HG LEU 78 HG LEU 78 -5.077 7.722 -1.721 484 1HD1 LEU 78 1HD1 LEU 78 -4.365 10.493 -1.655 485 2HD1 LEU 78 2HD1 LEU 78 -5.083 10.073 -0.101 486 3HD1 LEU 78 3HD1 LEU 78 -3.692 9.171 -0.702 487 1HD2 LEU 78 1HD2 LEU 78 -7.572 9.295 -1.323 488 2HD2 LEU 78 2HD2 LEU 78 -7.240 7.603 -0.954 489 3HD2 LEU 78 3HD2 LEU 78 -6.673 8.870 0.133 490 H LEU 79 H LEU 79 -3.300 6.778 -4.117 491 HA LEU 79 HA LEU 79 -4.837 5.757 -6.447 492 1HB LEU 79 1HB LEU 79 -2.084 5.854 -5.842 493 2HB LEU 79 2HB LEU 79 -2.545 4.165 -5.681 494 HG LEU 79 HG LEU 79 -1.898 5.415 -8.039 495 1HD1 LEU 79 1HD1 LEU 79 -3.616 2.986 -7.476 496 2HD1 LEU 79 2HD1 LEU 79 -2.975 3.365 -9.075 497 3HD1 LEU 79 3HD1 LEU 79 -1.871 3.024 -7.740 498 1HD2 LEU 79 1HD2 LEU 79 -4.090 6.667 -7.853 499 2HD2 LEU 79 2HD2 LEU 79 -3.917 5.706 -9.324 500 3HD2 LEU 79 3HD2 LEU 79 -4.910 5.108 -7.992 501 H GLY 80 H GLY 80 -5.479 3.532 -6.427 502 1HA GLY 80 1HA GLY 80 -5.320 1.956 -4.009 503 2HA GLY 80 2HA GLY 80 -6.911 2.671 -4.227 504 H THR 81 H THR 81 -4.758 0.161 -5.315 505 HA THR 81 HA THR 81 -6.814 -0.639 -7.346 506 HB THR 81 HB THR 81 -5.171 -1.386 -8.764 507 HG1 THR 81 HG1 THR 81 -3.948 -2.849 -7.936 508 1HG2 THR 81 1HG2 THR 81 -4.670 1.022 -8.190 509 2HG2 THR 81 2HG2 THR 81 -3.439 0.430 -7.072 510 3HG2 THR 81 3HG2 THR 81 -3.288 0.110 -8.801 511 H ASP 82 H ASP 82 -6.290 -3.229 -7.743 512 HA ASP 82 HA ASP 82 -6.050 -4.642 -5.158 513 1HB ASP 82 1HB ASP 82 -8.404 -4.229 -5.115 514 2HB ASP 82 2HB ASP 82 -8.564 -4.555 -6.842 515 H VAL 83 H VAL 83 -5.244 -6.750 -5.503 516 HA VAL 83 HA VAL 83 -5.065 -7.594 -8.362 517 HB VAL 83 HB VAL 83 -2.820 -7.450 -8.204 518 1HG1 VAL 83 1HG1 VAL 83 -3.543 -6.143 -5.840 519 2HG1 VAL 83 2HG1 VAL 83 -2.378 -7.369 -5.321 520 3HG1 VAL 83 3HG1 VAL 83 -1.936 -6.188 -6.554 521 1HG2 VAL 83 1HG2 VAL 83 -3.059 -9.848 -7.667 522 2HG2 VAL 83 2HG2 VAL 83 -1.654 -9.149 -6.863 523 3HG2 VAL 83 3HG2 VAL 83 -3.134 -9.446 -5.950 524 H GLN 84 H GLN 84 -5.089 -9.871 -8.726 525 HA GLN 84 HA GLN 84 -6.117 -11.469 -6.415 526 1HB GLN 84 1HB GLN 84 -7.377 -12.795 -8.107 527 2HB GLN 84 2HB GLN 84 -7.868 -11.103 -8.088 528 1HG GLN 84 1HG GLN 84 -5.712 -11.275 -9.915 529 2HG GLN 84 2HG GLN 84 -6.771 -12.640 -10.270 530 1HE2 GLN 84 2HE2 GLN 84 -6.405 -9.225 -10.621 531 2HE2 GLN 84 1HE2 GLN 84 -7.943 -8.906 -11.264 532 H VAL 85 H VAL 85 -3.944 -12.157 -5.909 533 HA VAL 85 HA VAL 85 -2.305 -13.461 -7.928 534 HB VAL 85 HB VAL 85 -2.083 -13.289 -4.914 535 1HG1 VAL 85 1HG1 VAL 85 -1.005 -15.359 -5.969 536 2HG1 VAL 85 2HG1 VAL 85 0.053 -14.244 -6.834 537 3HG1 VAL 85 3HG1 VAL 85 0.081 -14.298 -5.073 538 1HG2 VAL 85 1HG2 VAL 85 -1.346 -11.598 -7.165 539 2HG2 VAL 85 2HG2 VAL 85 -1.311 -11.233 -5.439 540 3HG2 VAL 85 3HG2 VAL 85 0.064 -12.034 -6.200 541 H GLU 86 H GLU 86 -2.042 -15.657 -8.282 542 HA GLU 86 HA GLU 86 -3.920 -17.463 -6.799 543 1HB GLU 86 1HB GLU 86 -2.786 -17.956 -9.559 544 2HB GLU 86 2HB GLU 86 -4.150 -18.765 -8.788 545 1HG GLU 86 1HG GLU 86 -5.103 -16.284 -8.677 546 2HG GLU 86 2HG GLU 86 -4.018 -16.059 -10.051 547 H ALA 87 H ALA 87 -2.949 -19.913 -7.359 548 HA ALA 87 HA ALA 87 -0.020 -19.900 -6.937 549 1HB ALA 87 1HB ALA 87 -2.048 -20.742 -4.888 550 2HB ALA 87 2HB ALA 87 -0.499 -21.583 -4.970 551 3HB ALA 87 3HB ALA 87 -0.545 -19.847 -4.667 Start of MODEL 12 1 H ALA 8 H ALA 8 -5.264 9.583 -8.541 2 HA ALA 8 HA ALA 8 -4.626 10.369 -11.321 3 1HB ALA 8 1HB ALA 8 -3.197 8.671 -9.259 4 2HB ALA 8 2HB ALA 8 -2.577 8.964 -10.885 5 3HB ALA 8 3HB ALA 8 -2.781 10.309 -9.762 6 H THR 9 H THR 9 -3.709 8.360 -12.637 7 HA THR 9 HA THR 9 -5.975 6.483 -12.836 8 HB THR 9 HB THR 9 -4.515 7.740 -14.754 9 HG1 THR 9 HG1 THR 9 -5.613 5.165 -15.109 10 1HG2 THR 9 1HG2 THR 9 -2.520 6.345 -14.162 11 2HG2 THR 9 2HG2 THR 9 -3.442 4.914 -14.626 12 3HG2 THR 9 3HG2 THR 9 -3.048 6.139 -15.832 13 H LEU 10 H LEU 10 -5.777 4.317 -12.494 14 HA LEU 10 HA LEU 10 -3.413 3.460 -10.928 15 1HB LEU 10 1HB LEU 10 -6.157 2.234 -11.375 16 2HB LEU 10 2HB LEU 10 -4.897 1.492 -10.393 17 HG LEU 10 HG LEU 10 -4.878 3.472 -8.923 18 1HD1 LEU 10 1HD1 LEU 10 -6.980 4.436 -10.866 19 2HD1 LEU 10 2HD1 LEU 10 -6.888 5.060 -9.217 20 3HD1 LEU 10 3HD1 LEU 10 -5.528 5.278 -10.319 21 1HD2 LEU 10 1HD2 LEU 10 -6.453 1.501 -8.586 22 2HD2 LEU 10 2HD2 LEU 10 -6.937 3.001 -7.794 23 3HD2 LEU 10 3HD2 LEU 10 -7.719 2.505 -9.294 24 H VAL 11 H VAL 11 -1.868 2.932 -12.577 25 HA VAL 11 HA VAL 11 -2.776 0.881 -14.549 26 HB VAL 11 HB VAL 11 -0.252 2.562 -14.564 27 1HG1 VAL 11 1HG1 VAL 11 -1.216 0.249 -16.099 28 2HG1 VAL 11 2HG1 VAL 11 -0.816 1.627 -17.125 29 3HG1 VAL 11 3HG1 VAL 11 0.399 0.955 -16.038 30 1HG2 VAL 11 1HG2 VAL 11 -3.014 3.030 -15.480 31 2HG2 VAL 11 2HG2 VAL 11 -1.700 4.181 -15.243 32 3HG2 VAL 11 3HG2 VAL 11 -1.804 3.261 -16.743 33 H GLY 12 H GLY 12 -2.301 -1.180 -13.978 34 1HA GLY 12 1HA GLY 12 0.207 -1.655 -12.408 35 2HA GLY 12 2HA GLY 12 -1.282 -2.549 -12.091 36 HA PRO 13 HA PRO 13 0.228 -3.906 -16.470 37 1HB PRO 13 1HB PRO 13 2.726 -3.020 -17.192 38 2HB PRO 13 2HB PRO 13 1.219 -2.176 -17.587 39 1HG PRO 13 1HG PRO 13 3.243 -1.532 -15.474 40 2HG PRO 13 2HG PRO 13 2.207 -0.436 -16.408 41 1HD PRO 13 1HD PRO 13 1.710 -1.200 -13.775 42 2HD PRO 13 2HD PRO 13 0.483 -0.588 -14.896 43 H HIS 14 H HIS 14 1.333 -5.713 -17.034 44 HA HIS 14 HA HIS 14 3.633 -6.920 -16.662 45 1HB HIS 14 1HB HIS 14 2.627 -6.477 -13.952 46 2HB HIS 14 2HB HIS 14 2.966 -8.174 -14.272 47 HD1 HIS 14 HD1 HIS 14 5.259 -8.564 -13.329 48 HD2 HIS 14 HD2 HIS 14 5.084 -5.067 -15.593 49 HE1 HIS 14 HE1 HIS 14 7.634 -7.702 -13.508 50 H GLY 15 H GLY 15 3.382 -9.460 -16.055 51 1HA GLY 15 1HA GLY 15 1.123 -10.347 -17.703 52 2HA GLY 15 2HA GLY 15 2.392 -11.376 -17.040 53 HA PRO 16 HA PRO 16 -1.212 -12.365 -14.474 54 1HB PRO 16 1HB PRO 16 -0.450 -14.980 -14.107 55 2HB PRO 16 2HB PRO 16 -1.390 -14.424 -15.502 56 1HG PRO 16 1HG PRO 16 1.497 -15.174 -15.359 57 2HG PRO 16 2HG PRO 16 0.384 -15.250 -16.736 58 1HD PRO 16 1HD PRO 16 2.331 -13.253 -16.317 59 2HD PRO 16 2HD PRO 16 0.969 -13.149 -17.453 60 H LEU 17 H LEU 17 -1.259 -12.688 -12.169 61 HA LEU 17 HA LEU 17 1.413 -12.365 -10.907 62 1HB LEU 17 1HB LEU 17 -1.381 -11.630 -10.060 63 2HB LEU 17 2HB LEU 17 -0.074 -11.732 -8.879 64 HG LEU 17 HG LEU 17 -0.144 -9.978 -11.351 65 1HD1 LEU 17 1HD1 LEU 17 -0.304 -9.478 -8.379 66 2HD1 LEU 17 2HD1 LEU 17 0.187 -8.211 -9.503 67 3HD1 LEU 17 3HD1 LEU 17 -1.413 -8.940 -9.640 68 1HD2 LEU 17 1HD2 LEU 17 2.058 -10.750 -9.454 69 2HD2 LEU 17 2HD2 LEU 17 2.117 -10.556 -11.207 70 3HD2 LEU 17 3HD2 LEU 17 2.052 -9.136 -10.164 71 H ALA 18 H ALA 18 1.882 -14.651 -11.075 72 HA ALA 18 HA ALA 18 0.189 -16.586 -9.713 73 1HB ALA 18 1HB ALA 18 2.742 -16.606 -11.192 74 2HB ALA 18 2HB ALA 18 2.675 -17.757 -9.858 75 3HB ALA 18 3HB ALA 18 1.466 -17.823 -11.140 76 H SER 19 H SER 19 1.099 -17.823 -7.772 77 HA SER 19 HA SER 19 1.634 -16.039 -5.629 78 1HB SER 19 1HB SER 19 0.755 -18.215 -5.117 79 2HB SER 19 2HB SER 19 2.111 -19.016 -5.906 80 HG SER 19 HG SER 19 2.814 -17.201 -3.960 81 H GLY 20 H GLY 20 3.445 -14.821 -5.433 82 1HA GLY 20 1HA GLY 20 5.802 -14.623 -4.931 83 2HA GLY 20 2HA GLY 20 6.084 -16.139 -5.786 84 H GLN 21 H GLN 21 4.288 -13.248 -6.847 85 HA GLN 21 HA GLN 21 6.230 -13.052 -9.122 86 1HB GLN 21 1HB GLN 21 3.320 -13.251 -9.085 87 2HB GLN 21 2HB GLN 21 3.884 -11.850 -9.994 88 1HG GLN 21 1HG GLN 21 5.414 -14.331 -10.476 89 2HG GLN 21 2HG GLN 21 3.739 -14.374 -11.027 90 1HE2 GLN 21 2HE2 GLN 21 4.060 -14.086 -13.286 91 2HE2 GLN 21 1HE2 GLN 21 4.804 -12.715 -13.955 92 H LEU 22 H LEU 22 6.614 -10.935 -9.970 93 HA LEU 22 HA LEU 22 6.166 -8.741 -7.990 94 1HB LEU 22 1HB LEU 22 8.547 -9.533 -8.498 95 2HB LEU 22 2HB LEU 22 8.319 -8.891 -10.120 96 HG LEU 22 HG LEU 22 9.488 -7.322 -8.525 97 1HD1 LEU 22 1HD1 LEU 22 7.900 -6.688 -10.555 98 2HD1 LEU 22 2HD1 LEU 22 6.894 -6.032 -9.266 99 3HD1 LEU 22 3HD1 LEU 22 8.537 -5.442 -9.484 100 1HD2 LEU 22 1HD2 LEU 22 7.374 -8.059 -6.826 101 2HD2 LEU 22 2HD2 LEU 22 8.605 -6.836 -6.518 102 3HD2 LEU 22 3HD2 LEU 22 7.069 -6.374 -7.251 103 H ALA 23 H ALA 23 4.239 -7.842 -8.844 104 HA ALA 23 HA ALA 23 3.961 -7.375 -11.729 105 1HB ALA 23 1HB ALA 23 2.263 -7.159 -9.357 106 2HB ALA 23 2HB ALA 23 2.099 -5.756 -10.418 107 3HB ALA 23 3HB ALA 23 1.798 -7.378 -11.045 108 H ALA 24 H ALA 24 3.829 -5.111 -12.643 109 HA ALA 24 HA ALA 24 5.406 -3.235 -10.918 110 1HB ALA 24 1HB ALA 24 5.516 -3.576 -13.926 111 2HB ALA 24 2HB ALA 24 6.357 -2.315 -13.024 112 3HB ALA 24 3HB ALA 24 6.778 -4.013 -12.768 113 H PHE 25 H PHE 25 4.217 -1.527 -10.341 114 HA PHE 25 HA PHE 25 1.785 -0.880 -11.927 115 1HB PHE 25 1HB PHE 25 2.626 -0.220 -9.099 116 2HB PHE 25 2HB PHE 25 1.155 0.386 -9.849 117 HD1 PHE 25 HD1 PHE 25 2.873 -2.994 -9.647 118 HD2 PHE 25 HD2 PHE 25 -0.736 -0.698 -9.161 119 HE1 PHE 25 HE1 PHE 25 1.651 -5.031 -8.956 120 HE2 PHE 25 HE2 PHE 25 -1.939 -2.743 -8.467 121 HZ PHE 25 HZ PHE 25 -0.750 -4.913 -8.370 122 H HIS 26 H HIS 26 1.154 1.503 -11.743 123 HA HIS 26 HA HIS 26 3.156 3.519 -11.431 124 1HB HIS 26 1HB HIS 26 3.907 3.937 -13.537 125 2HB HIS 26 2HB HIS 26 3.496 2.250 -13.816 126 HD1 HIS 26 HD1 HIS 26 2.303 2.031 -15.973 127 HD2 HIS 26 HD2 HIS 26 1.273 5.557 -14.030 128 HE1 HIS 26 HE1 HIS 26 0.640 3.215 -17.472 129 H ILE 27 H ILE 27 2.152 5.491 -11.201 130 HA ILE 27 HA ILE 27 -0.818 5.496 -11.540 131 HB ILE 27 HB ILE 27 0.701 7.491 -9.876 132 1HG1 ILE 27 1HG1 ILE 27 1.619 5.297 -9.257 133 2HG1 ILE 27 2HG1 ILE 27 0.562 5.901 -7.978 134 1HG2 ILE 27 1HG2 ILE 27 -2.057 6.394 -10.087 135 2HG2 ILE 27 2HG2 ILE 27 -1.470 6.738 -8.452 136 3HG2 ILE 27 3HG2 ILE 27 -1.517 8.021 -9.668 137 1HD1 ILE 27 1HD1 ILE 27 -1.269 4.600 -9.455 138 2HD1 ILE 27 2HD1 ILE 27 0.147 3.634 -9.859 139 3HD1 ILE 27 3HD1 ILE 27 -0.349 3.806 -8.176 140 H ALA 28 H ALA 28 -1.826 7.362 -12.535 141 HA ALA 28 HA ALA 28 0.132 9.217 -13.867 142 1HB ALA 28 1HB ALA 28 -0.959 7.244 -15.266 143 2HB ALA 28 2HB ALA 28 -2.312 8.375 -15.351 144 3HB ALA 28 3HB ALA 28 -0.728 8.845 -15.970 145 H ALA 29 H ALA 29 -0.371 11.314 -13.520 146 HA ALA 29 HA ALA 29 -2.924 12.454 -13.941 147 1HB ALA 29 1HB ALA 29 -2.540 11.374 -11.249 148 2HB ALA 29 2HB ALA 29 -2.935 13.092 -11.242 149 3HB ALA 29 3HB ALA 29 -4.015 11.943 -12.031 150 HA PRO 30 HA PRO 30 -0.121 15.803 -12.129 151 1HB PRO 30 1HB PRO 30 1.867 15.095 -10.368 152 2HB PRO 30 2HB PRO 30 0.207 15.451 -9.863 153 1HG PRO 30 1HG PRO 30 1.587 12.819 -10.041 154 2HG PRO 30 2HG PRO 30 0.212 13.298 -9.033 155 1HD PRO 30 1HD PRO 30 0.089 11.789 -11.440 156 2HD PRO 30 2HD PRO 30 -1.280 12.493 -10.556 157 H LEU 31 H LEU 31 0.452 14.895 -14.460 158 HA LEU 31 HA LEU 31 2.309 13.615 -15.660 159 1HB LEU 31 1HB LEU 31 3.261 16.262 -16.273 160 2HB LEU 31 2HB LEU 31 2.285 15.175 -17.249 161 HG LEU 31 HG LEU 31 0.974 16.689 -15.011 162 1HD1 LEU 31 1HD1 LEU 31 2.435 18.162 -16.655 163 2HD1 LEU 31 2HD1 LEU 31 1.092 17.873 -17.760 164 3HD1 LEU 31 3HD1 LEU 31 0.804 18.668 -16.211 165 1HD2 LEU 31 1HD2 LEU 31 0.119 14.856 -16.901 166 2HD2 LEU 31 2HD2 LEU 31 -0.928 15.977 -16.032 167 3HD2 LEU 31 3HD2 LEU 31 -0.322 16.397 -17.634 168 HA PRO 32 HA PRO 32 6.388 15.336 -14.052 169 1HB PRO 32 1HB PRO 32 6.407 17.563 -12.449 170 2HB PRO 32 2HB PRO 32 6.460 17.636 -14.219 171 1HG PRO 32 1HG PRO 32 4.186 18.237 -12.384 172 2HG PRO 32 2HG PRO 32 4.516 18.867 -14.007 173 1HD PRO 32 1HD PRO 32 2.650 16.836 -13.362 174 2HD PRO 32 2HD PRO 32 3.231 17.253 -14.985 175 H VAL 33 H VAL 33 6.139 13.391 -12.677 176 HA VAL 33 HA VAL 33 5.572 14.026 -9.809 177 HB VAL 33 HB VAL 33 5.544 11.266 -11.046 178 1HG1 VAL 33 1HG1 VAL 33 5.143 12.428 -8.389 179 2HG1 VAL 33 2HG1 VAL 33 3.776 11.437 -8.900 180 3HG1 VAL 33 3HG1 VAL 33 5.398 10.741 -8.846 181 1HG2 VAL 33 1HG2 VAL 33 3.325 13.297 -10.721 182 2HG2 VAL 33 2HG2 VAL 33 3.847 12.509 -12.213 183 3HG2 VAL 33 3HG2 VAL 33 3.025 11.574 -10.964 184 H THR 34 H THR 34 7.060 13.344 -8.248 185 HA THR 34 HA THR 34 9.678 12.422 -9.339 186 HB THR 34 HB THR 34 10.040 14.582 -8.438 187 HG1 THR 34 HG1 THR 34 11.485 13.011 -7.613 188 1HG2 THR 34 1HG2 THR 34 8.123 13.668 -6.308 189 2HG2 THR 34 2HG2 THR 34 9.229 15.006 -5.998 190 3HG2 THR 34 3HG2 THR 34 8.056 15.118 -7.310 191 H ALA 35 H ALA 35 7.130 11.666 -7.152 192 HA ALA 35 HA ALA 35 8.166 9.054 -6.640 193 1HB ALA 35 1HB ALA 35 8.878 11.233 -4.781 194 2HB ALA 35 2HB ALA 35 8.286 9.755 -4.024 195 3HB ALA 35 3HB ALA 35 9.698 9.700 -5.081 196 H THR 36 H THR 36 6.680 7.770 -5.451 197 HA THR 36 HA THR 36 4.242 9.134 -4.418 198 HB THR 36 HB THR 36 3.106 8.466 -6.268 199 HG1 THR 36 HG1 THR 36 2.090 6.677 -5.799 200 1HG2 THR 36 1HG2 THR 36 5.498 6.742 -6.740 201 2HG2 THR 36 2HG2 THR 36 4.007 6.396 -7.619 202 3HG2 THR 36 3HG2 THR 36 4.780 7.973 -7.779 203 H ARG 37 H ARG 37 3.462 8.124 -2.575 204 HA ARG 37 HA ARG 37 5.069 5.850 -1.584 205 1HB ARG 37 1HB ARG 37 4.021 8.099 -0.333 206 2HB ARG 37 2HB ARG 37 2.938 6.801 0.176 207 1HG ARG 37 1HG ARG 37 4.707 5.539 1.119 208 2HG ARG 37 2HG ARG 37 5.938 6.478 0.272 209 1HD ARG 37 1HD ARG 37 4.084 7.780 2.262 210 2HD ARG 37 2HD ARG 37 5.567 6.981 2.783 211 HE ARG 37 HE ARG 37 6.443 8.657 0.782 212 1HH1 ARG 37 1HH2 ARG 37 7.198 9.221 3.577 213 2HH1 ARG 37 2HH2 ARG 37 6.481 10.770 3.869 214 1HH2 ARG 37 1HH1 ARG 37 4.335 10.583 1.151 215 2HH2 ARG 37 2HH1 ARG 37 4.859 11.542 2.495 216 H TRP 38 H TRP 38 4.321 3.873 -2.151 217 HA TRP 38 HA TRP 38 1.408 3.486 -2.624 218 1HB TRP 38 1HB TRP 38 3.689 1.550 -3.031 219 2HB TRP 38 2HB TRP 38 2.025 1.320 -3.538 220 HD1 TRP 38 HD1 TRP 38 4.636 4.143 -4.052 221 HE1 TRP 38 HE1 TRP 38 4.598 4.778 -6.549 222 HE3 TRP 38 HE3 TRP 38 1.023 0.958 -5.702 223 HZ2 TRP 38 HZ2 TRP 38 3.213 4.027 -8.937 224 HZ3 TRP 38 HZ3 TRP 38 0.351 0.942 -8.081 225 HH2 TRP 38 HH2 TRP 38 1.445 2.465 -9.699 226 H ASP 39 H ASP 39 0.791 1.113 -1.927 227 HA ASP 39 HA ASP 39 1.927 0.339 0.657 228 1HB ASP 39 1HB ASP 39 -0.493 1.905 0.480 229 2HB ASP 39 2HB ASP 39 -0.883 0.294 1.083 230 H PHE 40 H PHE 40 2.392 -1.717 -0.068 231 HA PHE 40 HA PHE 40 0.533 -3.052 -1.894 232 1HB PHE 40 1HB PHE 40 2.891 -4.347 -0.522 233 2HB PHE 40 2HB PHE 40 2.094 -4.836 -2.013 234 HD1 PHE 40 HD1 PHE 40 1.897 -1.592 -2.659 235 HD2 PHE 40 HD2 PHE 40 5.001 -4.488 -1.955 236 HE1 PHE 40 HE1 PHE 40 3.480 -0.240 -4.001 237 HE2 PHE 40 HE2 PHE 40 6.572 -3.125 -3.294 238 HZ PHE 40 HZ PHE 40 5.811 -1.004 -4.322 239 H GLY 41 H GLY 41 1.839 -4.167 1.263 240 1HA GLY 41 1HA GLY 41 0.430 -4.938 3.085 241 2HA GLY 41 2HA GLY 41 -0.911 -5.083 1.948 242 H ASP 42 H ASP 42 1.877 -6.301 0.539 243 HA ASP 42 HA ASP 42 0.998 -9.104 1.017 244 1HB ASP 42 1HB ASP 42 2.618 -9.539 -0.897 245 2HB ASP 42 2HB ASP 42 1.254 -8.502 -1.309 246 H GLY 43 H GLY 43 2.502 -7.509 3.006 247 1HA GLY 43 1HA GLY 43 4.135 -8.670 4.524 248 2HA GLY 43 2HA GLY 43 5.063 -9.048 3.061 249 H SER 44 H SER 44 4.644 -6.629 1.667 250 HA SER 44 HA SER 44 6.233 -4.737 3.354 251 1HB SER 44 1HB SER 44 6.915 -3.714 1.183 252 2HB SER 44 2HB SER 44 7.386 -5.407 1.291 253 HG SER 44 HG SER 44 5.899 -5.925 -0.165 254 H ALA 45 H ALA 45 4.705 -3.459 4.330 255 HA ALA 45 HA ALA 45 2.228 -2.748 2.990 256 1HB ALA 45 1HB ALA 45 3.469 -2.150 5.644 257 2HB ALA 45 2HB ALA 45 2.126 -1.151 5.086 258 3HB ALA 45 3HB ALA 45 1.910 -2.890 5.280 259 H GLU 46 H GLU 46 4.082 -0.315 4.644 260 HA GLU 46 HA GLU 46 3.498 1.793 2.894 261 1HB GLU 46 1HB GLU 46 6.038 1.491 4.518 262 2HB GLU 46 2HB GLU 46 5.327 3.001 3.951 263 1HG GLU 46 1HG GLU 46 3.297 1.565 5.352 264 2HG GLU 46 2HG GLU 46 4.744 1.562 6.359 265 H VAL 47 H VAL 47 4.496 2.653 1.067 266 HA VAL 47 HA VAL 47 6.829 1.136 -0.021 267 HB VAL 47 HB VAL 47 4.318 1.941 -1.519 268 1HG1 VAL 47 1HG1 VAL 47 6.437 2.151 -2.823 269 2HG1 VAL 47 2HG1 VAL 47 6.769 0.451 -2.490 270 3HG1 VAL 47 3HG1 VAL 47 5.356 0.905 -3.443 271 1HG2 VAL 47 1HG2 VAL 47 4.781 -0.284 0.068 272 2HG2 VAL 47 2HG2 VAL 47 3.604 -0.191 -1.241 273 3HG2 VAL 47 3HG2 VAL 47 5.210 -0.852 -1.543 274 H ASP 48 H ASP 48 8.390 2.429 -0.837 275 HA ASP 48 HA ASP 48 7.742 5.317 -1.284 276 1HB ASP 48 1HB ASP 48 10.320 3.941 -0.468 277 2HB ASP 48 2HB ASP 48 10.243 5.631 -0.967 278 H ALA 49 H ALA 49 7.135 5.060 -3.482 279 HA ALA 49 HA ALA 49 9.062 3.713 -5.293 280 1HB ALA 49 1HB ALA 49 6.364 3.645 -5.225 281 2HB ALA 49 2HB ALA 49 6.605 4.949 -6.390 282 3HB ALA 49 3HB ALA 49 7.304 3.354 -6.685 283 H ALA 50 H ALA 50 9.925 4.743 -7.139 284 HA ALA 50 HA ALA 50 10.409 7.629 -6.792 285 1HB ALA 50 1HB ALA 50 11.762 5.395 -8.072 286 2HB ALA 50 2HB ALA 50 11.631 6.771 -9.166 287 3HB ALA 50 3HB ALA 50 12.411 6.966 -7.597 288 H GLY 51 H GLY 51 9.904 9.189 -8.425 289 1HA GLY 51 1HA GLY 51 8.361 10.181 -9.898 290 2HA GLY 51 2HA GLY 51 8.732 8.792 -10.926 291 HA PRO 52 HA PRO 52 4.394 8.190 -9.683 292 1HB PRO 52 1HB PRO 52 3.414 8.010 -12.237 293 2HB PRO 52 2HB PRO 52 3.598 9.549 -11.381 294 1HG PRO 52 1HG PRO 52 5.193 8.467 -13.634 295 2HG PRO 52 2HG PRO 52 5.013 10.143 -13.096 296 1HD PRO 52 1HD PRO 52 7.225 8.378 -12.569 297 2HD PRO 52 2HD PRO 52 6.992 10.028 -11.949 298 H ALA 53 H ALA 53 6.573 6.107 -9.886 299 HA ALA 53 HA ALA 53 4.840 3.932 -10.958 300 1HB ALA 53 1HB ALA 53 6.818 4.926 -12.529 301 2HB ALA 53 2HB ALA 53 7.691 3.656 -11.670 302 3HB ALA 53 3HB ALA 53 6.249 3.258 -12.604 303 H ALA 54 H ALA 54 5.218 1.884 -10.095 304 HA ALA 54 HA ALA 54 7.409 1.418 -8.188 305 1HB ALA 54 1HB ALA 54 5.517 2.569 -6.892 306 2HB ALA 54 2HB ALA 54 4.559 1.124 -7.209 307 3HB ALA 54 3HB ALA 54 6.044 1.008 -6.263 308 H SER 55 H SER 55 6.443 -0.893 -7.024 309 HA SER 55 HA SER 55 5.231 -2.585 -9.102 310 1HB SER 55 1HB SER 55 7.534 -4.029 -8.319 311 2HB SER 55 2HB SER 55 7.141 -3.414 -9.921 312 HG SER 55 HG SER 55 9.169 -2.663 -8.907 313 H HIS 56 H HIS 56 4.343 -4.489 -8.196 314 HA HIS 56 HA HIS 56 4.384 -4.534 -5.212 315 1HB HIS 56 1HB HIS 56 2.378 -5.235 -7.296 316 2HB HIS 56 2HB HIS 56 2.352 -6.157 -5.792 317 HD1 HIS 56 HD1 HIS 56 2.502 -2.483 -6.839 318 HD2 HIS 56 HD2 HIS 56 0.994 -4.877 -3.789 319 HE1 HIS 56 HE1 HIS 56 1.205 -0.950 -5.287 320 H ARG 57 H ARG 57 5.000 -6.343 -4.108 321 HA ARG 57 HA ARG 57 5.985 -8.648 -5.737 322 1HB ARG 57 1HB ARG 57 7.368 -9.155 -3.648 323 2HB ARG 57 2HB ARG 57 7.837 -7.712 -4.544 324 1HG ARG 57 1HG ARG 57 5.853 -6.891 -2.690 325 2HG ARG 57 2HG ARG 57 6.968 -7.929 -1.807 326 1HD ARG 57 1HD ARG 57 7.795 -5.645 -1.712 327 2HD ARG 57 2HD ARG 57 8.872 -6.600 -2.732 328 HE ARG 57 HE ARG 57 6.766 -5.213 -4.221 329 1HH1 ARG 57 1HH1 ARG 57 9.446 -4.278 -2.382 330 2HH1 ARG 57 2HH1 ARG 57 10.228 -3.412 -3.661 331 1HH2 ARG 57 1HH2 ARG 57 7.971 -4.427 -6.089 332 2HH2 ARG 57 2HH2 ARG 57 9.391 -3.493 -5.758 333 H TYR 58 H TYR 58 3.969 -9.742 -5.779 334 HA TYR 58 HA TYR 58 2.677 -10.358 -3.188 335 1HB TYR 58 1HB TYR 58 1.921 -10.859 -6.074 336 2HB TYR 58 2HB TYR 58 0.958 -11.451 -4.721 337 HD1 TYR 58 HD1 TYR 58 0.954 -9.466 -2.749 338 HD2 TYR 58 HD2 TYR 58 0.930 -8.966 -7.008 339 HE1 TYR 58 HE1 TYR 58 -0.147 -7.265 -2.478 340 HE2 TYR 58 HE2 TYR 58 -0.175 -6.765 -6.740 341 HH TYR 58 HH TYR 58 -0.991 -5.513 -3.500 342 H VAL 59 H VAL 59 3.135 -12.201 -2.103 343 HA VAL 59 HA VAL 59 4.392 -14.442 -3.640 344 HB VAL 59 HB VAL 59 5.683 -14.979 -1.667 345 1HG1 VAL 59 1HG1 VAL 59 6.204 -12.910 -3.238 346 2HG1 VAL 59 2HG1 VAL 59 5.892 -11.990 -1.767 347 3HG1 VAL 59 3HG1 VAL 59 7.175 -13.200 -1.795 348 1HG2 VAL 59 1HG2 VAL 59 4.147 -12.712 -0.357 349 2HG2 VAL 59 2HG2 VAL 59 3.988 -14.426 0.029 350 3HG2 VAL 59 3HG2 VAL 59 5.496 -13.579 0.377 351 H LEU 60 H LEU 60 1.700 -13.581 -1.663 352 HA LEU 60 HA LEU 60 1.227 -16.441 -0.966 353 1HB LEU 60 1HB LEU 60 0.847 -14.076 0.473 354 2HB LEU 60 2HB LEU 60 -0.780 -14.546 -0.025 355 HG LEU 60 HG LEU 60 0.622 -16.897 0.823 356 1HD1 LEU 60 1HD1 LEU 60 2.000 -15.163 2.077 357 2HD1 LEU 60 2HD1 LEU 60 0.523 -14.738 2.943 358 3HD1 LEU 60 3HD1 LEU 60 1.195 -16.361 3.090 359 1HD2 LEU 60 1HD2 LEU 60 -1.865 -16.354 0.807 360 2HD2 LEU 60 2HD2 LEU 60 -1.276 -17.112 2.288 361 3HD2 LEU 60 3HD2 LEU 60 -1.579 -15.375 2.245 362 HA PRO 61 HA PRO 61 -1.839 -16.690 -4.124 363 1HB PRO 61 1HB PRO 61 -3.198 -18.871 -3.149 364 2HB PRO 61 2HB PRO 61 -1.626 -18.980 -3.959 365 1HG PRO 61 1HG PRO 61 -2.263 -19.239 -1.059 366 2HG PRO 61 2HG PRO 61 -0.911 -19.923 -1.976 367 1HD PRO 61 1HD PRO 61 -0.794 -17.649 -0.296 368 2HD PRO 61 2HD PRO 61 0.448 -18.152 -1.462 369 H GLY 62 H GLY 62 -3.493 -15.196 -4.169 370 1HA GLY 62 1HA GLY 62 -6.003 -15.404 -3.130 371 2HA GLY 62 2HA GLY 62 -5.122 -14.704 -1.771 372 H ARG 63 H ARG 63 -6.452 -12.759 -2.038 373 HA ARG 63 HA ARG 63 -5.677 -11.141 -4.430 374 1HB ARG 63 1HB ARG 63 -7.724 -9.918 -4.176 375 2HB ARG 63 2HB ARG 63 -8.136 -11.630 -4.071 376 1HG ARG 63 1HG ARG 63 -7.592 -11.047 -1.450 377 2HG ARG 63 2HG ARG 63 -8.294 -9.528 -2.006 378 1HD ARG 63 1HD ARG 63 -10.051 -11.214 -3.130 379 2HD ARG 63 2HD ARG 63 -9.546 -12.221 -1.772 380 HE ARG 63 HE ARG 63 -10.925 -9.599 -1.555 381 1HH1 ARG 63 1HH1 ARG 63 -8.812 -10.230 0.592 382 2HH1 ARG 63 2HH1 ARG 63 -9.809 -10.925 1.826 383 1HH2 ARG 63 1HH2 ARG 63 -12.521 -11.426 -0.277 384 2HH2 ARG 63 2HH2 ARG 63 -11.909 -11.602 1.334 385 H TYR 64 H TYR 64 -5.331 -8.821 -4.037 386 HA TYR 64 HA TYR 64 -4.570 -8.157 -1.227 387 1HB TYR 64 1HB TYR 64 -2.898 -7.652 -3.704 388 2HB TYR 64 2HB TYR 64 -2.553 -6.985 -2.113 389 HD1 TYR 64 HD1 TYR 64 -2.835 -10.132 -4.061 390 HD2 TYR 64 HD2 TYR 64 -1.488 -8.287 -0.418 391 HE1 TYR 64 HE1 TYR 64 -1.556 -12.177 -3.492 392 HE2 TYR 64 HE2 TYR 64 -0.221 -10.339 0.149 393 HH TYR 64 HH TYR 64 -0.257 -13.167 -2.014 394 H HIS 65 H HIS 65 -4.442 -5.809 -0.878 395 HA HIS 65 HA HIS 65 -6.069 -4.280 -2.868 396 1HB HIS 65 1HB HIS 65 -7.245 -4.616 -0.703 397 2HB HIS 65 2HB HIS 65 -5.896 -3.841 0.131 398 HD1 HIS 65 HD1 HIS 65 -8.463 -3.065 -2.568 399 HD2 HIS 65 HD2 HIS 65 -6.039 -1.064 0.169 400 HE1 HIS 65 HE1 HIS 65 -9.083 -0.614 -2.720 401 H VAL 66 H VAL 66 -4.779 -2.866 -3.915 402 HA VAL 66 HA VAL 66 -2.289 -1.930 -2.603 403 HB VAL 66 HB VAL 66 -3.267 -1.651 -5.456 404 1HG1 VAL 66 1HG1 VAL 66 -0.629 -0.962 -4.123 405 2HG1 VAL 66 2HG1 VAL 66 -0.869 -1.026 -5.873 406 3HG1 VAL 66 3HG1 VAL 66 -1.749 0.158 -4.907 407 1HG2 VAL 66 1HG2 VAL 66 -1.531 -3.622 -4.016 408 2HG2 VAL 66 2HG2 VAL 66 -2.779 -3.913 -5.229 409 3HG2 VAL 66 3HG2 VAL 66 -1.212 -3.261 -5.713 410 H THR 67 H THR 67 -1.804 0.278 -2.393 411 HA THR 67 HA THR 67 -3.852 2.270 -3.159 412 HB THR 67 HB THR 67 -4.244 3.107 -1.014 413 HG1 THR 67 HG1 THR 67 -2.720 2.149 0.712 414 1HG2 THR 67 1HG2 THR 67 -5.179 0.812 -1.218 415 2HG2 THR 67 2HG2 THR 67 -3.713 0.173 -0.473 416 3HG2 THR 67 3HG2 THR 67 -4.783 1.229 0.449 417 H ALA 68 H ALA 68 -2.889 4.474 -3.167 418 HA ALA 68 HA ALA 68 0.020 4.594 -2.661 419 1HB ALA 68 1HB ALA 68 -0.748 3.844 -5.176 420 2HB ALA 68 2HB ALA 68 -0.667 5.599 -5.359 421 3HB ALA 68 3HB ALA 68 0.751 4.697 -4.813 422 H VAL 69 H VAL 69 0.881 6.784 -3.030 423 HA VAL 69 HA VAL 69 -1.157 8.932 -3.062 424 HB VAL 69 HB VAL 69 -0.628 8.361 -0.652 425 1HG1 VAL 69 1HG1 VAL 69 1.852 7.884 -1.346 426 2HG1 VAL 69 2HG1 VAL 69 2.057 9.620 -1.123 427 3HG1 VAL 69 3HG1 VAL 69 1.522 8.614 0.224 428 1HG2 VAL 69 1HG2 VAL 69 -0.011 11.036 -1.886 429 2HG2 VAL 69 2HG2 VAL 69 -1.420 10.550 -0.944 430 3HG2 VAL 69 3HG2 VAL 69 0.128 10.815 -0.142 431 H LEU 70 H LEU 70 -0.452 10.534 -4.405 432 HA LEU 70 HA LEU 70 2.251 10.253 -5.551 433 1HB LEU 70 1HB LEU 70 -0.012 12.174 -6.171 434 2HB LEU 70 2HB LEU 70 1.525 12.147 -7.022 435 HG LEU 70 HG LEU 70 -0.683 10.784 -7.831 436 1HD1 LEU 70 1HD1 LEU 70 1.871 11.152 -8.650 437 2HD1 LEU 70 2HD1 LEU 70 1.858 9.406 -8.391 438 3HD1 LEU 70 3HD1 LEU 70 0.697 10.145 -9.495 439 1HD2 LEU 70 1HD2 LEU 70 1.000 8.847 -6.217 440 2HD2 LEU 70 2HD2 LEU 70 -0.700 9.240 -5.954 441 3HD2 LEU 70 3HD2 LEU 70 -0.213 8.370 -7.406 442 H ALA 71 H ALA 71 3.918 11.779 -5.255 443 HA ALA 71 HA ALA 71 3.210 14.080 -3.501 444 1HB ALA 71 1HB ALA 71 5.645 12.329 -3.212 445 2HB ALA 71 2HB ALA 71 5.382 13.862 -2.374 446 3HB ALA 71 3HB ALA 71 4.314 12.492 -2.063 447 H LEU 72 H LEU 72 3.418 15.701 -4.783 448 HA LEU 72 HA LEU 72 5.738 15.889 -6.647 449 1HB LEU 72 1HB LEU 72 2.986 16.468 -6.889 450 2HB LEU 72 2HB LEU 72 3.814 18.021 -6.857 451 HG LEU 72 HG LEU 72 4.419 15.695 -8.716 452 1HD1 LEU 72 1HD1 LEU 72 2.935 18.285 -8.942 453 2HD1 LEU 72 2HD1 LEU 72 3.897 17.771 -10.328 454 3HD1 LEU 72 3HD1 LEU 72 2.609 16.733 -9.714 455 1HD2 LEU 72 1HD2 LEU 72 5.904 18.178 -7.979 456 2HD2 LEU 72 2HD2 LEU 72 6.521 16.626 -8.542 457 3HD2 LEU 72 3HD2 LEU 72 5.842 17.776 -9.693 458 H GLY 73 H GLY 73 4.581 16.935 -3.667 459 1HA GLY 73 1HA GLY 73 6.034 18.295 -2.214 460 2HA GLY 73 2HA GLY 73 6.501 19.225 -3.645 461 H ALA 74 H ALA 74 4.136 19.747 -4.862 462 HA ALA 74 HA ALA 74 2.587 21.253 -2.797 463 1HB ALA 74 1HB ALA 74 3.987 22.558 -4.542 464 2HB ALA 74 2HB ALA 74 2.764 22.037 -5.702 465 3HB ALA 74 3HB ALA 74 2.303 23.035 -4.322 466 H GLY 75 H GLY 75 2.448 18.711 -4.985 467 1HA GLY 75 1HA GLY 75 -0.524 18.802 -4.947 468 2HA GLY 75 2HA GLY 75 0.300 18.520 -6.482 469 H SER 76 H SER 76 -1.482 16.666 -5.114 470 HA SER 76 HA SER 76 0.350 14.333 -5.003 471 1HB SER 76 1HB SER 76 -0.348 13.638 -2.844 472 2HB SER 76 2HB SER 76 -0.042 15.363 -2.663 473 HG SER 76 HG SER 76 -2.152 15.740 -2.542 474 H ALA 77 H ALA 77 -1.220 12.316 -4.557 475 HA ALA 77 HA ALA 77 -3.906 12.641 -5.702 476 1HB ALA 77 1HB ALA 77 -1.818 12.177 -7.471 477 2HB ALA 77 2HB ALA 77 -2.435 10.556 -7.152 478 3HB ALA 77 3HB ALA 77 -3.515 11.804 -7.774 479 H LEU 78 H LEU 78 -5.085 10.495 -5.616 480 HA LEU 78 HA LEU 78 -3.876 8.764 -3.496 481 1HB LEU 78 1HB LEU 78 -6.647 9.807 -3.900 482 2HB LEU 78 2HB LEU 78 -6.458 8.207 -3.183 483 HG LEU 78 HG LEU 78 -4.562 9.716 -1.842 484 1HD1 LEU 78 1HD1 LEU 78 -6.851 11.415 -2.709 485 2HD1 LEU 78 2HD1 LEU 78 -6.328 11.574 -1.032 486 3HD1 LEU 78 3HD1 LEU 78 -5.186 11.872 -2.344 487 1HD2 LEU 78 1HD2 LEU 78 -6.516 8.041 -1.156 488 2HD2 LEU 78 2HD2 LEU 78 -5.811 9.145 0.025 489 3HD2 LEU 78 3HD2 LEU 78 -7.344 9.544 -0.750 490 H LEU 79 H LEU 79 -3.631 6.651 -3.966 491 HA LEU 79 HA LEU 79 -4.921 5.637 -6.454 492 1HB LEU 79 1HB LEU 79 -2.212 5.754 -5.720 493 2HB LEU 79 2HB LEU 79 -2.669 4.069 -5.501 494 HG LEU 79 HG LEU 79 -1.900 5.178 -7.878 495 1HD1 LEU 79 1HD1 LEU 79 -3.648 2.808 -7.224 496 2HD1 LEU 79 2HD1 LEU 79 -3.084 3.116 -8.864 497 3HD1 LEU 79 3HD1 LEU 79 -1.917 2.824 -7.573 498 1HD2 LEU 79 1HD2 LEU 79 -4.046 6.506 -7.900 499 2HD2 LEU 79 2HD2 LEU 79 -3.846 5.435 -9.292 500 3HD2 LEU 79 3HD2 LEU 79 -4.921 4.972 -7.970 501 H GLY 80 H GLY 80 -5.522 3.381 -6.431 502 1HA GLY 80 1HA GLY 80 -5.507 1.848 -3.996 503 2HA GLY 80 2HA GLY 80 -7.083 2.581 -4.273 504 H THR 81 H THR 81 -4.766 0.225 -5.511 505 HA THR 81 HA THR 81 -6.844 -0.692 -7.462 506 HB THR 81 HB THR 81 -5.191 -1.327 -8.905 507 HG1 THR 81 HG1 THR 81 -3.976 -2.835 -8.153 508 1HG2 THR 81 1HG2 THR 81 -4.662 1.043 -8.218 509 2HG2 THR 81 2HG2 THR 81 -3.438 0.386 -7.132 510 3HG2 THR 81 3HG2 THR 81 -3.294 0.143 -8.876 511 H ASP 82 H ASP 82 -6.177 -3.281 -7.831 512 HA ASP 82 HA ASP 82 -5.867 -4.645 -5.244 513 1HB ASP 82 1HB ASP 82 -7.984 -5.654 -5.195 514 2HB ASP 82 2HB ASP 82 -8.368 -4.021 -5.733 515 H VAL 83 H VAL 83 -5.423 -6.991 -5.611 516 HA VAL 83 HA VAL 83 -5.022 -7.671 -8.481 517 HB VAL 83 HB VAL 83 -2.781 -7.507 -8.295 518 1HG1 VAL 83 1HG1 VAL 83 -3.556 -6.354 -5.828 519 2HG1 VAL 83 2HG1 VAL 83 -2.277 -7.514 -5.449 520 3HG1 VAL 83 3HG1 VAL 83 -1.992 -6.224 -6.621 521 1HG2 VAL 83 1HG2 VAL 83 -3.018 -9.923 -7.815 522 2HG2 VAL 83 2HG2 VAL 83 -1.614 -9.233 -7.001 523 3HG2 VAL 83 3HG2 VAL 83 -3.092 -9.554 -6.091 524 H GLN 84 H GLN 84 -5.018 -9.937 -8.906 525 HA GLN 84 HA GLN 84 -6.052 -11.596 -6.639 526 1HB GLN 84 1HB GLN 84 -7.075 -11.143 -9.329 527 2HB GLN 84 2HB GLN 84 -6.775 -12.855 -9.039 528 1HG GLN 84 1HG GLN 84 -8.426 -13.017 -7.481 529 2HG GLN 84 2HG GLN 84 -8.073 -11.429 -6.800 530 1HE2 GLN 84 2HE2 GLN 84 -10.735 -12.577 -7.618 531 2HE2 GLN 84 1HE2 GLN 84 -11.367 -11.483 -8.750 532 H VAL 85 H VAL 85 -3.860 -12.228 -6.121 533 HA VAL 85 HA VAL 85 -2.176 -13.458 -8.150 534 HB VAL 85 HB VAL 85 -1.993 -13.276 -5.138 535 1HG1 VAL 85 1HG1 VAL 85 -0.531 -14.984 -7.051 536 2HG1 VAL 85 2HG1 VAL 85 0.501 -14.019 -5.997 537 3HG1 VAL 85 3HG1 VAL 85 -0.680 -15.129 -5.301 538 1HG2 VAL 85 1HG2 VAL 85 -1.269 -11.593 -7.343 539 2HG2 VAL 85 2HG2 VAL 85 -1.016 -11.305 -5.622 540 3HG2 VAL 85 3HG2 VAL 85 0.209 -12.157 -6.564 541 H GLU 86 H GLU 86 -1.982 -15.615 -8.628 542 HA GLU 86 HA GLU 86 -3.670 -17.505 -7.023 543 1HB GLU 86 1HB GLU 86 -3.118 -17.604 -10.001 544 2HB GLU 86 2HB GLU 86 -4.136 -18.720 -9.092 545 1HG GLU 86 1HG GLU 86 -5.869 -17.234 -8.946 546 2HG GLU 86 2HG GLU 86 -4.798 -15.843 -8.788 547 H ALA 87 H ALA 87 -2.719 -19.473 -6.499 548 HA ALA 87 HA ALA 87 0.191 -19.671 -7.026 549 1HB ALA 87 1HB ALA 87 -1.702 -20.845 -5.036 550 2HB ALA 87 2HB ALA 87 -0.253 -21.768 -5.435 551 3HB ALA 87 3HB ALA 87 -0.108 -20.135 -4.783 Start of MODEL 13 1 H ALA 8 H ALA 8 -4.122 9.864 -8.502 2 HA ALA 8 HA ALA 8 -3.848 10.306 -11.396 3 1HB ALA 8 1HB ALA 8 -2.198 8.786 -9.354 4 2HB ALA 8 2HB ALA 8 -1.794 8.849 -11.071 5 3HB ALA 8 3HB ALA 8 -1.811 10.329 -10.115 6 H THR 9 H THR 9 -3.751 8.515 -12.929 7 HA THR 9 HA THR 9 -5.869 6.602 -12.453 8 HB THR 9 HB THR 9 -4.985 7.682 -14.706 9 HG1 THR 9 HG1 THR 9 -6.706 6.017 -14.184 10 1HG2 THR 9 1HG2 THR 9 -2.751 6.438 -14.313 11 2HG2 THR 9 2HG2 THR 9 -3.633 5.002 -14.829 12 3HG2 THR 9 3HG2 THR 9 -3.459 6.370 -15.928 13 H LEU 10 H LEU 10 -5.684 4.382 -12.289 14 HA LEU 10 HA LEU 10 -3.243 3.444 -10.922 15 1HB LEU 10 1HB LEU 10 -5.945 2.143 -11.421 16 2HB LEU 10 2HB LEU 10 -4.658 1.442 -10.445 17 HG LEU 10 HG LEU 10 -4.752 3.527 -9.015 18 1HD1 LEU 10 1HD1 LEU 10 -7.198 3.989 -10.730 19 2HD1 LEU 10 2HD1 LEU 10 -7.008 4.715 -9.132 20 3HD1 LEU 10 3HD1 LEU 10 -5.870 5.109 -10.419 21 1HD2 LEU 10 1HD2 LEU 10 -6.498 1.254 -9.129 22 2HD2 LEU 10 2HD2 LEU 10 -5.909 2.117 -7.710 23 3HD2 LEU 10 3HD2 LEU 10 -7.394 2.638 -8.504 24 H VAL 11 H VAL 11 -1.666 2.856 -12.471 25 HA VAL 11 HA VAL 11 -2.618 0.933 -14.560 26 HB VAL 11 HB VAL 11 -0.032 2.445 -14.744 27 1HG1 VAL 11 1HG1 VAL 11 -1.813 0.799 -16.485 28 2HG1 VAL 11 2HG1 VAL 11 -0.983 2.153 -17.251 29 3HG1 VAL 11 3HG1 VAL 11 -0.052 0.888 -16.449 30 1HG2 VAL 11 1HG2 VAL 11 -2.828 3.424 -15.179 31 2HG2 VAL 11 2HG2 VAL 11 -1.400 4.317 -14.655 32 3HG2 VAL 11 3HG2 VAL 11 -1.605 3.898 -16.356 33 H GLY 12 H GLY 12 -2.226 -1.052 -13.633 34 1HA GLY 12 1HA GLY 12 0.489 -1.467 -12.447 35 2HA GLY 12 2HA GLY 12 -0.950 -2.310 -11.877 36 HA PRO 13 HA PRO 13 0.130 -4.076 -16.246 37 1HB PRO 13 1HB PRO 13 2.650 -3.440 -17.154 38 2HB PRO 13 2HB PRO 13 1.182 -2.537 -17.572 39 1HG PRO 13 1HG PRO 13 3.343 -1.823 -15.625 40 2HG PRO 13 2HG PRO 13 2.322 -0.760 -16.611 41 1HD PRO 13 1HD PRO 13 1.921 -1.241 -13.892 42 2HD PRO 13 2HD PRO 13 0.674 -0.655 -15.009 43 H HIS 14 H HIS 14 1.056 -6.070 -16.579 44 HA HIS 14 HA HIS 14 3.420 -7.220 -15.825 45 1HB HIS 14 1HB HIS 14 3.186 -6.619 -13.511 46 2HB HIS 14 2HB HIS 14 1.514 -7.173 -13.476 47 HD1 HIS 14 HD1 HIS 14 5.046 -8.385 -13.356 48 HD2 HIS 14 HD2 HIS 14 1.215 -10.024 -13.362 49 HE1 HIS 14 HE1 HIS 14 5.309 -10.820 -12.712 50 H GLY 15 H GLY 15 -0.047 -7.617 -15.629 51 1HA GLY 15 1HA GLY 15 -1.190 -9.203 -17.123 52 2HA GLY 15 2HA GLY 15 0.222 -10.258 -16.990 53 HA PRO 16 HA PRO 16 -2.540 -11.963 -13.843 54 1HB PRO 16 1HB PRO 16 -1.511 -14.497 -14.042 55 2HB PRO 16 2HB PRO 16 -2.796 -13.881 -15.096 56 1HG PRO 16 1HG PRO 16 0.090 -14.322 -15.723 57 2HG PRO 16 2HG PRO 16 -1.308 -14.336 -16.811 58 1HD PRO 16 1HD PRO 16 0.531 -12.208 -16.527 59 2HD PRO 16 2HD PRO 16 -1.058 -12.109 -17.316 60 H LEU 17 H LEU 17 -2.006 -12.402 -11.664 61 HA LEU 17 HA LEU 17 0.890 -12.108 -11.030 62 1HB LEU 17 1HB LEU 17 -1.625 -11.243 -9.714 63 2HB LEU 17 2HB LEU 17 -0.343 -11.786 -8.634 64 HG LEU 17 HG LEU 17 -0.159 -9.369 -9.023 65 1HD1 LEU 17 1HD1 LEU 17 1.925 -11.279 -9.926 66 2HD1 LEU 17 2HD1 LEU 17 2.179 -9.594 -10.384 67 3HD1 LEU 17 3HD1 LEU 17 2.001 -10.030 -8.685 68 1HD2 LEU 17 1HD2 LEU 17 0.104 -10.166 -11.939 69 2HD2 LEU 17 2HD2 LEU 17 -1.238 -9.273 -11.224 70 3HD2 LEU 17 3HD2 LEU 17 0.365 -8.542 -11.307 71 H ALA 18 H ALA 18 1.533 -14.292 -11.193 72 HA ALA 18 HA ALA 18 0.059 -16.402 -9.832 73 1HB ALA 18 1HB ALA 18 2.481 -16.181 -11.487 74 2HB ALA 18 2HB ALA 18 2.623 -17.371 -10.194 75 3HB ALA 18 3HB ALA 18 1.318 -17.502 -11.374 76 H SER 19 H SER 19 0.993 -17.613 -7.979 77 HA SER 19 HA SER 19 1.626 -15.953 -5.784 78 1HB SER 19 1HB SER 19 0.799 -18.151 -5.345 79 2HB SER 19 2HB SER 19 2.099 -18.901 -6.265 80 HG SER 19 HG SER 19 2.826 -17.210 -4.174 81 H GLY 20 H GLY 20 3.467 -14.912 -5.252 82 1HA GLY 20 1HA GLY 20 5.790 -14.558 -4.958 83 2HA GLY 20 2HA GLY 20 6.094 -16.094 -5.770 84 H GLN 21 H GLN 21 4.366 -13.149 -6.829 85 HA GLN 21 HA GLN 21 6.253 -13.066 -9.154 86 1HB GLN 21 1HB GLN 21 3.271 -12.870 -9.035 87 2HB GLN 21 2HB GLN 21 4.127 -11.946 -10.269 88 1HG GLN 21 1HG GLN 21 5.133 -14.681 -10.029 89 2HG GLN 21 2HG GLN 21 3.424 -14.626 -10.457 90 1HE2 GLN 21 2HE2 GLN 21 6.540 -13.067 -11.400 91 2HE2 GLN 21 1HE2 GLN 21 6.146 -12.943 -13.047 92 H LEU 22 H LEU 22 6.766 -11.000 -9.983 93 HA LEU 22 HA LEU 22 6.380 -8.770 -8.038 94 1HB LEU 22 1HB LEU 22 8.733 -9.598 -8.731 95 2HB LEU 22 2HB LEU 22 8.395 -8.864 -10.295 96 HG LEU 22 HG LEU 22 9.666 -7.369 -8.719 97 1HD1 LEU 22 1HD1 LEU 22 7.797 -6.660 -10.528 98 2HD1 LEU 22 2HD1 LEU 22 7.041 -6.014 -9.070 99 3HD1 LEU 22 3HD1 LEU 22 8.654 -5.480 -9.538 100 1HD2 LEU 22 1HD2 LEU 22 7.599 -8.202 -6.930 101 2HD2 LEU 22 2HD2 LEU 22 8.982 -7.162 -6.593 102 3HD2 LEU 22 3HD2 LEU 22 7.464 -6.455 -7.150 103 H ALA 23 H ALA 23 4.442 -7.840 -8.769 104 HA ALA 23 HA ALA 23 3.979 -7.426 -11.632 105 1HB ALA 23 1HB ALA 23 2.502 -6.841 -9.103 106 2HB ALA 23 2HB ALA 23 2.129 -5.843 -10.510 107 3HB ALA 23 3HB ALA 23 1.925 -7.593 -10.589 108 H ALA 24 H ALA 24 3.966 -5.245 -12.643 109 HA ALA 24 HA ALA 24 5.662 -3.336 -11.074 110 1HB ALA 24 1HB ALA 24 5.580 -3.877 -14.053 111 2HB ALA 24 2HB ALA 24 6.447 -2.523 -13.326 112 3HB ALA 24 3HB ALA 24 6.921 -4.183 -12.942 113 H PHE 25 H PHE 25 4.524 -1.608 -10.460 114 HA PHE 25 HA PHE 25 2.074 -0.868 -11.986 115 1HB PHE 25 1HB PHE 25 2.979 -0.359 -9.153 116 2HB PHE 25 2HB PHE 25 1.588 0.439 -9.864 117 HD1 PHE 25 HD1 PHE 25 2.939 -3.089 -9.763 118 HD2 PHE 25 HD2 PHE 25 -0.426 -0.440 -9.265 119 HE1 PHE 25 HE1 PHE 25 1.494 -5.015 -9.158 120 HE2 PHE 25 HE2 PHE 25 -1.858 -2.381 -8.672 121 HZ PHE 25 HZ PHE 25 -0.898 -4.665 -8.620 122 H HIS 26 H HIS 26 1.499 1.440 -11.914 123 HA HIS 26 HA HIS 26 3.421 3.494 -11.435 124 1HB HIS 26 1HB HIS 26 4.105 4.152 -13.573 125 2HB HIS 26 2HB HIS 26 4.207 2.401 -13.672 126 HD1 HIS 26 HD1 HIS 26 1.618 5.118 -14.440 127 HD2 HIS 26 HD2 HIS 26 2.911 1.423 -15.872 128 HE1 HIS 26 HE1 HIS 26 0.292 4.658 -16.547 129 H ILE 27 H ILE 27 2.359 5.523 -11.479 130 HA ILE 27 HA ILE 27 -0.592 5.306 -11.891 131 HB ILE 27 HB ILE 27 0.459 7.644 -10.409 132 1HG1 ILE 27 1HG1 ILE 27 1.797 5.345 -9.799 133 2HG1 ILE 27 2HG1 ILE 27 1.409 6.583 -8.611 134 1HG2 ILE 27 1HG2 ILE 27 -1.667 5.541 -9.912 135 2HG2 ILE 27 2HG2 ILE 27 -1.383 6.934 -8.865 136 3HG2 ILE 27 3HG2 ILE 27 -1.926 7.171 -10.531 137 1HD1 ILE 27 1HD1 ILE 27 -0.426 4.253 -9.256 138 2HD1 ILE 27 2HD1 ILE 27 0.735 4.255 -7.925 139 3HD1 ILE 27 3HD1 ILE 27 -0.582 5.415 -7.936 140 H ALA 28 H ALA 28 -1.670 7.326 -12.769 141 HA ALA 28 HA ALA 28 0.242 8.969 -14.393 142 1HB ALA 28 1HB ALA 28 -1.049 6.906 -15.540 143 2HB ALA 28 2HB ALA 28 -2.271 8.163 -15.733 144 3HB ALA 28 3HB ALA 28 -0.656 8.393 -16.406 145 H ALA 29 H ALA 29 -0.161 11.080 -14.021 146 HA ALA 29 HA ALA 29 -2.563 12.393 -14.566 147 1HB ALA 29 1HB ALA 29 -2.507 11.255 -11.851 148 2HB ALA 29 2HB ALA 29 -2.909 12.970 -11.910 149 3HB ALA 29 3HB ALA 29 -3.877 11.805 -12.814 150 HA PRO 30 HA PRO 30 0.142 15.514 -12.283 151 1HB PRO 30 1HB PRO 30 1.892 14.634 -10.352 152 2HB PRO 30 2HB PRO 30 0.212 15.084 -10.016 153 1HG PRO 30 1HG PRO 30 1.433 12.373 -10.152 154 2HG PRO 30 2HG PRO 30 0.002 12.916 -9.263 155 1HD PRO 30 1HD PRO 30 -0.001 11.475 -11.701 156 2HD PRO 30 2HD PRO 30 -1.389 12.298 -10.959 157 H LEU 31 H LEU 31 1.006 15.059 -14.511 158 HA LEU 31 HA LEU 31 3.038 13.537 -15.413 159 1HB LEU 31 1HB LEU 31 2.113 16.192 -16.031 160 2HB LEU 31 2HB LEU 31 3.862 16.101 -16.247 161 HG LEU 31 HG LEU 31 2.758 15.439 -18.323 162 1HD1 LEU 31 1HD1 LEU 31 4.741 14.051 -17.082 163 2HD1 LEU 31 2HD1 LEU 31 3.556 12.766 -17.315 164 3HD1 LEU 31 3HD1 LEU 31 4.159 13.672 -18.703 165 1HD2 LEU 31 1HD2 LEU 31 0.731 14.541 -16.792 166 2HD2 LEU 31 2HD2 LEU 31 0.992 13.966 -18.440 167 3HD2 LEU 31 3HD2 LEU 31 1.563 13.011 -17.072 168 HA PRO 32 HA PRO 32 6.604 15.975 -13.424 169 1HB PRO 32 1HB PRO 32 6.005 18.023 -11.694 170 2HB PRO 32 2HB PRO 32 6.204 18.238 -13.441 171 1HG PRO 32 1HG PRO 32 3.702 18.236 -11.825 172 2HG PRO 32 2HG PRO 32 4.031 19.014 -13.383 173 1HD PRO 32 1HD PRO 32 2.601 16.597 -12.986 174 2HD PRO 32 2HD PRO 32 3.174 17.237 -14.540 175 H VAL 33 H VAL 33 5.639 13.703 -12.273 176 HA VAL 33 HA VAL 33 5.212 14.071 -9.385 177 HB VAL 33 HB VAL 33 5.646 11.571 -11.049 178 1HG1 VAL 33 1HG1 VAL 33 5.110 11.983 -8.099 179 2HG1 VAL 33 2HG1 VAL 33 4.800 10.452 -8.918 180 3HG1 VAL 33 3HG1 VAL 33 6.441 11.093 -8.838 181 1HG2 VAL 33 1HG2 VAL 33 3.327 13.193 -10.285 182 2HG2 VAL 33 2HG2 VAL 33 3.465 11.951 -11.528 183 3HG2 VAL 33 3HG2 VAL 33 3.153 11.492 -9.855 184 H THR 34 H THR 34 6.732 13.483 -7.768 185 HA THR 34 HA THR 34 9.518 13.088 -8.755 186 HB THR 34 HB THR 34 9.410 15.317 -7.846 187 HG1 THR 34 HG1 THR 34 11.194 14.862 -6.884 188 1HG2 THR 34 1HG2 THR 34 7.271 14.649 -6.469 189 2HG2 THR 34 2HG2 THR 34 8.437 14.294 -5.197 190 3HG2 THR 34 3HG2 THR 34 8.331 15.921 -5.869 191 H ALA 35 H ALA 35 7.184 12.363 -6.255 192 HA ALA 35 HA ALA 35 8.530 9.788 -5.779 193 1HB ALA 35 1HB ALA 35 8.872 12.033 -4.011 194 2HB ALA 35 2HB ALA 35 7.932 10.789 -3.186 195 3HB ALA 35 3HB ALA 35 9.519 10.399 -3.850 196 H THR 36 H THR 36 7.061 8.228 -5.206 197 HA THR 36 HA THR 36 4.277 9.138 -4.571 198 HB THR 36 HB THR 36 4.174 8.366 -6.832 199 HG1 THR 36 HG1 THR 36 2.989 6.415 -6.567 200 1HG2 THR 36 1HG2 THR 36 6.444 7.269 -6.736 201 2HG2 THR 36 2HG2 THR 36 5.669 5.888 -5.964 202 3HG2 THR 36 3HG2 THR 36 5.222 6.341 -7.607 203 H ARG 37 H ARG 37 3.381 8.071 -2.820 204 HA ARG 37 HA ARG 37 5.046 5.908 -1.635 205 1HB ARG 37 1HB ARG 37 3.957 8.185 -0.477 206 2HB ARG 37 2HB ARG 37 2.849 6.904 0.016 207 1HG ARG 37 1HG ARG 37 4.340 6.279 1.579 208 2HG ARG 37 2HG ARG 37 5.452 5.832 0.284 209 1HD ARG 37 1HD ARG 37 6.459 7.465 1.874 210 2HD ARG 37 2HD ARG 37 6.359 8.100 0.232 211 HE ARG 37 HE ARG 37 4.085 8.771 1.976 212 1HH1 ARG 37 1HH1 ARG 37 5.475 10.153 -0.503 213 2HH1 ARG 37 2HH1 ARG 37 6.010 11.613 0.261 214 1HH2 ARG 37 1HH2 ARG 37 5.490 10.431 3.480 215 2HH2 ARG 37 2HH2 ARG 37 6.018 11.770 2.518 216 H TRP 38 H TRP 38 4.306 3.990 -2.471 217 HA TRP 38 HA TRP 38 1.412 3.582 -2.903 218 1HB TRP 38 1HB TRP 38 3.695 1.626 -3.203 219 2HB TRP 38 2HB TRP 38 2.042 1.369 -3.723 220 HD1 TRP 38 HD1 TRP 38 4.798 4.028 -4.377 221 HE1 TRP 38 HE1 TRP 38 4.752 4.552 -6.902 222 HE3 TRP 38 HE3 TRP 38 0.891 1.090 -5.833 223 HZ2 TRP 38 HZ2 TRP 38 3.269 3.834 -9.219 224 HZ3 TRP 38 HZ3 TRP 38 0.172 1.037 -8.203 225 HH2 TRP 38 HH2 TRP 38 1.355 2.406 -9.899 226 H ASP 39 H ASP 39 0.749 1.242 -2.171 227 HA ASP 39 HA ASP 39 1.817 0.517 0.469 228 1HB ASP 39 1HB ASP 39 -0.643 2.021 0.136 229 2HB ASP 39 2HB ASP 39 -0.999 0.425 0.797 230 H PHE 40 H PHE 40 2.367 -1.531 -0.280 231 HA PHE 40 HA PHE 40 0.547 -2.948 -2.081 232 1HB PHE 40 1HB PHE 40 2.865 -4.225 -0.632 233 2HB PHE 40 2HB PHE 40 2.127 -4.697 -2.156 234 HD1 PHE 40 HD1 PHE 40 1.990 -1.548 -2.963 235 HD2 PHE 40 HD2 PHE 40 5.066 -4.320 -1.797 236 HE1 PHE 40 HE1 PHE 40 3.665 -0.244 -4.241 237 HE2 PHE 40 HE2 PHE 40 6.732 -3.003 -3.064 238 HZ PHE 40 HZ PHE 40 6.033 -0.973 -4.292 239 H GLY 41 H GLY 41 1.826 -3.781 1.161 240 1HA GLY 41 1HA GLY 41 0.494 -4.568 2.997 241 2HA GLY 41 2HA GLY 41 -0.872 -4.760 1.895 242 H ASP 42 H ASP 42 2.110 -5.970 0.701 243 HA ASP 42 HA ASP 42 1.164 -8.740 1.190 244 1HB ASP 42 1HB ASP 42 3.068 -9.177 -0.593 245 2HB ASP 42 2HB ASP 42 1.499 -8.581 -1.119 246 H GLY 43 H GLY 43 4.464 -8.280 0.382 247 1HA GLY 43 1HA GLY 43 5.260 -9.186 3.054 248 2HA GLY 43 2HA GLY 43 6.334 -8.978 1.666 249 H SER 44 H SER 44 5.045 -6.278 1.160 250 HA SER 44 HA SER 44 6.273 -4.758 3.417 251 1HB SER 44 1HB SER 44 6.421 -3.842 0.546 252 2HB SER 44 2HB SER 44 7.374 -3.292 1.922 253 HG SER 44 HG SER 44 7.563 -5.655 0.416 254 H ALA 45 H ALA 45 4.872 -3.274 4.255 255 HA ALA 45 HA ALA 45 2.271 -2.892 2.978 256 1HB ALA 45 1HB ALA 45 3.513 -2.114 5.581 257 2HB ALA 45 2HB ALA 45 2.089 -1.232 5.029 258 3HB ALA 45 3HB ALA 45 2.006 -2.977 5.276 259 H GLU 46 H GLU 46 4.093 -0.318 4.485 260 HA GLU 46 HA GLU 46 3.274 1.704 2.673 261 1HB GLU 46 1HB GLU 46 4.983 3.101 3.693 262 2HB GLU 46 2HB GLU 46 4.239 2.117 4.949 263 1HG GLU 46 1HG GLU 46 6.612 0.929 3.610 264 2HG GLU 46 2HG GLU 46 6.925 2.334 4.625 265 H VAL 47 H VAL 47 4.448 2.751 0.946 266 HA VAL 47 HA VAL 47 6.733 1.162 -0.140 267 HB VAL 47 HB VAL 47 4.345 2.137 -1.725 268 1HG1 VAL 47 1HG1 VAL 47 6.633 1.998 -2.851 269 2HG1 VAL 47 2HG1 VAL 47 6.556 0.260 -2.568 270 3HG1 VAL 47 3HG1 VAL 47 5.347 1.042 -3.584 271 1HG2 VAL 47 1HG2 VAL 47 4.175 0.102 -0.048 272 2HG2 VAL 47 2HG2 VAL 47 3.496 -0.017 -1.666 273 3HG2 VAL 47 3HG2 VAL 47 5.063 -0.743 -1.313 274 H ASP 48 H ASP 48 8.397 2.606 -0.286 275 HA ASP 48 HA ASP 48 7.795 5.439 -0.964 276 1HB ASP 48 1HB ASP 48 9.858 4.076 0.558 277 2HB ASP 48 2HB ASP 48 10.578 5.092 -0.692 278 H ALA 49 H ALA 49 7.536 5.598 -3.179 279 HA ALA 49 HA ALA 49 9.607 4.250 -4.872 280 1HB ALA 49 1HB ALA 49 6.796 4.060 -4.966 281 2HB ALA 49 2HB ALA 49 7.271 5.030 -6.359 282 3HB ALA 49 3HB ALA 49 7.952 3.418 -6.133 283 H ALA 50 H ALA 50 9.934 5.375 -7.020 284 HA ALA 50 HA ALA 50 10.131 8.309 -6.547 285 1HB ALA 50 1HB ALA 50 12.165 6.780 -7.159 286 2HB ALA 50 2HB ALA 50 11.504 6.853 -8.794 287 3HB ALA 50 3HB ALA 50 11.990 8.335 -7.974 288 H GLY 51 H GLY 51 9.589 9.764 -8.299 289 1HA GLY 51 1HA GLY 51 7.994 10.547 -9.842 290 2HA GLY 51 2HA GLY 51 8.537 9.169 -10.802 291 HA PRO 52 HA PRO 52 4.235 8.160 -9.745 292 1HB PRO 52 1HB PRO 52 3.426 7.808 -12.339 293 2HB PRO 52 2HB PRO 52 3.420 9.386 -11.534 294 1HG PRO 52 1HG PRO 52 5.230 8.390 -13.662 295 2HG PRO 52 2HG PRO 52 4.886 10.059 -13.179 296 1HD PRO 52 1HD PRO 52 7.190 8.473 -12.476 297 2HD PRO 52 2HD PRO 52 6.813 10.129 -11.953 298 H ALA 53 H ALA 53 6.593 6.252 -9.744 299 HA ALA 53 HA ALA 53 5.089 3.943 -10.887 300 1HB ALA 53 1HB ALA 53 6.946 4.950 -12.446 301 2HB ALA 53 2HB ALA 53 8.032 4.048 -11.390 302 3HB ALA 53 3HB ALA 53 6.768 3.203 -12.285 303 H ALA 54 H ALA 54 5.649 1.897 -10.081 304 HA ALA 54 HA ALA 54 7.688 1.370 -8.127 305 1HB ALA 54 1HB ALA 54 6.144 2.823 -6.752 306 2HB ALA 54 2HB ALA 54 4.877 1.626 -7.013 307 3HB ALA 54 3HB ALA 54 6.333 1.188 -6.116 308 H SER 55 H SER 55 7.533 -0.939 -7.454 309 HA SER 55 HA SER 55 5.546 -2.419 -9.135 310 1HB SER 55 1HB SER 55 7.678 -4.131 -8.390 311 2HB SER 55 2HB SER 55 7.241 -3.559 -9.998 312 HG SER 55 HG SER 55 9.168 -2.638 -8.212 313 H HIS 56 H HIS 56 4.688 -4.386 -8.284 314 HA HIS 56 HA HIS 56 4.521 -4.364 -5.309 315 1HB HIS 56 1HB HIS 56 2.668 -5.024 -7.527 316 2HB HIS 56 2HB HIS 56 2.541 -6.025 -6.081 317 HD1 HIS 56 HD1 HIS 56 2.625 -2.323 -7.007 318 HD2 HIS 56 HD2 HIS 56 1.155 -4.834 -4.032 319 HE1 HIS 56 HE1 HIS 56 1.234 -0.870 -5.455 320 H ARG 57 H ARG 57 4.922 -6.219 -4.134 321 HA ARG 57 HA ARG 57 6.045 -8.546 -5.647 322 1HB ARG 57 1HB ARG 57 7.307 -9.010 -3.487 323 2HB ARG 57 2HB ARG 57 7.813 -7.558 -4.348 324 1HG ARG 57 1HG ARG 57 5.701 -6.763 -2.636 325 2HG ARG 57 2HG ARG 57 6.755 -7.794 -1.674 326 1HD ARG 57 1HD ARG 57 7.507 -5.462 -1.547 327 2HD ARG 57 2HD ARG 57 8.708 -6.448 -2.380 328 HE ARG 57 HE ARG 57 6.770 -5.085 -4.129 329 1HH1 ARG 57 1HH1 ARG 57 9.284 -4.077 -2.148 330 2HH1 ARG 57 2HH1 ARG 57 10.250 -3.405 -3.418 331 1HH2 ARG 57 1HH2 ARG 57 8.251 -4.643 -5.964 332 2HH2 ARG 57 2HH2 ARG 57 9.666 -3.723 -5.576 333 H TYR 58 H TYR 58 4.111 -9.739 -5.772 334 HA TYR 58 HA TYR 58 2.676 -10.252 -3.215 335 1HB TYR 58 1HB TYR 58 1.967 -10.691 -6.123 336 2HB TYR 58 2HB TYR 58 0.977 -11.316 -4.806 337 HD1 TYR 58 HD1 TYR 58 1.010 -9.387 -2.765 338 HD2 TYR 58 HD2 TYR 58 0.949 -8.766 -7.011 339 HE1 TYR 58 HE1 TYR 58 -0.078 -7.193 -2.422 340 HE2 TYR 58 HE2 TYR 58 -0.141 -6.565 -6.668 341 HH TYR 58 HH TYR 58 -0.792 -5.354 -3.370 342 H VAL 59 H VAL 59 2.982 -12.135 -2.144 343 HA VAL 59 HA VAL 59 4.298 -14.365 -3.639 344 HB VAL 59 HB VAL 59 5.480 -14.952 -1.628 345 1HG1 VAL 59 1HG1 VAL 59 5.914 -12.657 -3.059 346 2HG1 VAL 59 2HG1 VAL 59 5.833 -12.032 -1.413 347 3HG1 VAL 59 3HG1 VAL 59 7.008 -13.281 -1.823 348 1HG2 VAL 59 1HG2 VAL 59 3.735 -12.829 -0.350 349 2HG2 VAL 59 2HG2 VAL 59 3.832 -14.539 0.072 350 3HG2 VAL 59 3HG2 VAL 59 5.188 -13.467 0.420 351 H LEU 60 H LEU 60 1.751 -13.569 -1.281 352 HA LEU 60 HA LEU 60 1.087 -16.459 -1.086 353 1HB LEU 60 1HB LEU 60 1.041 -15.367 1.036 354 2HB LEU 60 2HB LEU 60 0.136 -14.000 0.399 355 HG LEU 60 HG LEU 60 -1.532 -16.113 -0.187 356 1HD1 LEU 60 1HD1 LEU 60 0.176 -17.423 1.320 357 2HD1 LEU 60 2HD1 LEU 60 -0.652 -16.604 2.644 358 3HD1 LEU 60 3HD1 LEU 60 -1.554 -17.664 1.562 359 1HD2 LEU 60 1HD2 LEU 60 -1.699 -13.766 1.136 360 2HD2 LEU 60 2HD2 LEU 60 -2.979 -14.979 1.185 361 3HD2 LEU 60 3HD2 LEU 60 -1.809 -14.876 2.502 362 HA PRO 61 HA PRO 61 -2.008 -16.020 -4.172 363 1HB PRO 61 1HB PRO 61 -3.409 -18.318 -3.593 364 2HB PRO 61 2HB PRO 61 -1.873 -18.293 -4.479 365 1HG PRO 61 1HG PRO 61 -2.397 -19.077 -1.642 366 2HG PRO 61 2HG PRO 61 -1.136 -19.646 -2.750 367 1HD PRO 61 1HD PRO 61 -0.751 -17.772 -0.697 368 2HD PRO 61 2HD PRO 61 0.342 -18.020 -2.077 369 H GLY 62 H GLY 62 -3.956 -14.981 -4.235 370 1HA GLY 62 1HA GLY 62 -6.297 -15.222 -2.948 371 2HA GLY 62 2HA GLY 62 -5.337 -14.473 -1.669 372 H ARG 63 H ARG 63 -6.249 -12.409 -1.642 373 HA ARG 63 HA ARG 63 -5.921 -10.841 -4.165 374 1HB ARG 63 1HB ARG 63 -8.160 -10.429 -2.169 375 2HB ARG 63 2HB ARG 63 -7.973 -9.655 -3.742 376 1HG ARG 63 1HG ARG 63 -9.158 -11.326 -4.663 377 2HG ARG 63 2HG ARG 63 -7.874 -12.446 -4.209 378 1HD ARG 63 1HD ARG 63 -8.996 -12.415 -1.859 379 2HD ARG 63 2HD ARG 63 -10.396 -11.767 -2.716 380 HE ARG 63 HE ARG 63 -9.200 -14.456 -3.201 381 1HH1 ARG 63 1HH2 ARG 63 -11.910 -14.189 -1.977 382 2HH1 ARG 63 2HH2 ARG 63 -12.953 -14.378 -3.347 383 1HH2 ARG 63 2HH1 ARG 63 -10.442 -13.800 -5.669 384 2HH2 ARG 63 1HH1 ARG 63 -12.121 -14.157 -5.439 385 H TYR 64 H TYR 64 -4.940 -8.860 -3.893 386 HA TYR 64 HA TYR 64 -4.299 -8.054 -1.079 387 1HB TYR 64 1HB TYR 64 -2.715 -7.765 -3.636 388 2HB TYR 64 2HB TYR 64 -2.319 -6.890 -2.163 389 HD1 TYR 64 HD1 TYR 64 -2.503 -10.216 -3.752 390 HD2 TYR 64 HD2 TYR 64 -1.362 -8.016 -0.240 391 HE1 TYR 64 HE1 TYR 64 -1.193 -12.163 -2.954 392 HE2 TYR 64 HE2 TYR 64 -0.065 -9.968 0.561 393 HH TYR 64 HH TYR 64 0.772 -11.966 -0.002 394 H HIS 65 H HIS 65 -4.106 -5.704 -0.762 395 HA HIS 65 HA HIS 65 -5.820 -4.167 -2.673 396 1HB HIS 65 1HB HIS 65 -6.831 -4.434 -0.429 397 2HB HIS 65 2HB HIS 65 -5.394 -3.713 0.299 398 HD1 HIS 65 HD1 HIS 65 -8.651 -2.827 -0.992 399 HD2 HIS 65 HD2 HIS 65 -4.940 -0.939 -0.812 400 HE1 HIS 65 HE1 HIS 65 -9.081 -0.354 -1.342 401 H VAL 66 H VAL 66 -4.780 -2.549 -3.712 402 HA VAL 66 HA VAL 66 -2.113 -1.700 -2.687 403 HB VAL 66 HB VAL 66 -3.292 -1.483 -5.467 404 1HG1 VAL 66 1HG1 VAL 66 -0.552 -0.852 -4.329 405 2HG1 VAL 66 2HG1 VAL 66 -0.890 -0.978 -6.057 406 3HG1 VAL 66 3HG1 VAL 66 -1.675 0.276 -5.097 407 1HG2 VAL 66 1HG2 VAL 66 -1.514 -3.480 -4.113 408 2HG2 VAL 66 2HG2 VAL 66 -2.871 -3.758 -5.204 409 3HG2 VAL 66 3HG2 VAL 66 -1.332 -3.176 -5.841 410 H THR 67 H THR 67 -1.587 0.539 -2.685 411 HA THR 67 HA THR 67 -3.689 2.502 -3.341 412 HB THR 67 HB THR 67 -4.230 3.100 -1.229 413 HG1 THR 67 HG1 THR 67 -2.575 3.521 0.302 414 1HG2 THR 67 1HG2 THR 67 -2.583 0.656 -0.524 415 2HG2 THR 67 2HG2 THR 67 -3.666 1.483 0.596 416 3HG2 THR 67 3HG2 THR 67 -4.317 0.706 -0.847 417 H ALA 68 H ALA 68 -2.724 4.764 -3.313 418 HA ALA 68 HA ALA 68 0.207 4.895 -3.056 419 1HB ALA 68 1HB ALA 68 -0.632 4.024 -5.468 420 2HB ALA 68 2HB ALA 68 -0.697 5.769 -5.738 421 3HB ALA 68 3HB ALA 68 0.819 5.007 -5.245 422 H VAL 69 H VAL 69 0.640 6.832 -2.215 423 HA VAL 69 HA VAL 69 -1.137 9.130 -2.926 424 HB VAL 69 HB VAL 69 -1.325 8.781 -0.565 425 1HG1 VAL 69 1HG1 VAL 69 1.481 7.960 -0.843 426 2HG1 VAL 69 2HG1 VAL 69 1.183 8.960 0.576 427 3HG1 VAL 69 3HG1 VAL 69 0.278 7.464 0.346 428 1HG2 VAL 69 1HG2 VAL 69 -0.309 11.111 -1.619 429 2HG2 VAL 69 2HG2 VAL 69 -0.877 10.925 0.040 430 3HG2 VAL 69 3HG2 VAL 69 0.840 10.765 -0.327 431 H LEU 70 H LEU 70 -0.061 10.263 -4.511 432 HA LEU 70 HA LEU 70 2.890 10.267 -4.489 433 1HB LEU 70 1HB LEU 70 1.654 12.074 -6.414 434 2HB LEU 70 2HB LEU 70 2.787 10.757 -6.689 435 HG LEU 70 HG LEU 70 -0.214 10.492 -6.345 436 1HD1 LEU 70 1HD1 LEU 70 1.063 11.468 -8.478 437 2HD1 LEU 70 2HD1 LEU 70 1.296 9.751 -8.806 438 3HD1 LEU 70 3HD1 LEU 70 -0.335 10.404 -8.645 439 1HD2 LEU 70 1HD2 LEU 70 2.024 8.501 -6.643 440 2HD2 LEU 70 2HD2 LEU 70 0.604 8.421 -5.599 441 3HD2 LEU 70 3HD2 LEU 70 0.439 8.147 -7.336 442 H ALA 71 H ALA 71 4.154 12.140 -4.242 443 HA ALA 71 HA ALA 71 2.670 14.552 -3.296 444 1HB ALA 71 1HB ALA 71 5.193 13.360 -2.128 445 2HB ALA 71 2HB ALA 71 4.586 14.974 -1.746 446 3HB ALA 71 3HB ALA 71 3.633 13.550 -1.323 447 H LEU 72 H LEU 72 3.045 16.119 -4.686 448 HA LEU 72 HA LEU 72 5.591 16.153 -6.231 449 1HB LEU 72 1HB LEU 72 2.915 17.498 -6.640 450 2HB LEU 72 2HB LEU 72 4.326 17.824 -7.647 451 HG LEU 72 HG LEU 72 4.356 15.166 -7.853 452 1HD1 LEU 72 1HD1 LEU 72 1.455 15.852 -7.287 453 2HD1 LEU 72 2HD1 LEU 72 2.003 14.332 -7.994 454 3HD1 LEU 72 3HD1 LEU 72 2.476 14.760 -6.350 455 1HD2 LEU 72 1HD2 LEU 72 3.831 17.168 -9.544 456 2HD2 LEU 72 2HD2 LEU 72 3.550 15.487 -9.997 457 3HD2 LEU 72 3HD2 LEU 72 2.206 16.490 -9.453 458 H GLY 73 H GLY 73 3.979 17.662 -3.661 459 1HA GLY 73 1HA GLY 73 5.347 19.246 -2.289 460 2HA GLY 73 2HA GLY 73 5.827 20.012 -3.810 461 H ALA 74 H ALA 74 3.543 20.258 -5.200 462 HA ALA 74 HA ALA 74 1.786 21.892 -3.418 463 1HB ALA 74 1HB ALA 74 2.444 22.255 -6.353 464 2HB ALA 74 2HB ALA 74 1.280 23.231 -5.457 465 3HB ALA 74 3HB ALA 74 2.990 23.282 -5.027 466 H GLY 75 H GLY 75 1.888 19.073 -5.244 467 1HA GLY 75 1HA GLY 75 -1.077 18.960 -5.266 468 2HA GLY 75 2HA GLY 75 -0.233 18.634 -6.780 469 H SER 76 H SER 76 -1.842 16.678 -5.560 470 HA SER 76 HA SER 76 0.175 14.562 -5.103 471 1HB SER 76 1HB SER 76 -0.479 13.992 -2.954 472 2HB SER 76 2HB SER 76 -0.737 15.733 -2.881 473 HG SER 76 HG SER 76 -2.515 13.755 -2.628 474 H ALA 77 H ALA 77 -0.993 12.372 -4.987 475 HA ALA 77 HA ALA 77 -3.633 12.406 -6.350 476 1HB ALA 77 1HB ALA 77 -1.124 11.797 -7.628 477 2HB ALA 77 2HB ALA 77 -2.132 10.348 -7.584 478 3HB ALA 77 3HB ALA 77 -2.743 11.824 -8.333 479 H LEU 78 H LEU 78 -4.939 10.742 -5.638 480 HA LEU 78 HA LEU 78 -3.730 8.867 -3.665 481 1HB LEU 78 1HB LEU 78 -5.705 10.349 -3.050 482 2HB LEU 78 2HB LEU 78 -6.673 9.374 -4.156 483 HG LEU 78 HG LEU 78 -5.064 7.755 -2.315 484 1HD1 LEU 78 1HD1 LEU 78 -6.667 10.001 -1.292 485 2HD1 LEU 78 2HD1 LEU 78 -7.106 8.438 -0.600 486 3HD1 LEU 78 3HD1 LEU 78 -5.447 9.025 -0.472 487 1HD2 LEU 78 1HD2 LEU 78 -7.944 7.930 -3.210 488 2HD2 LEU 78 2HD2 LEU 78 -6.769 6.661 -3.550 489 3HD2 LEU 78 3HD2 LEU 78 -7.447 6.822 -1.930 490 H LEU 79 H LEU 79 -3.622 6.713 -4.076 491 HA LEU 79 HA LEU 79 -5.047 5.692 -6.488 492 1HB LEU 79 1HB LEU 79 -2.269 5.708 -5.786 493 2HB LEU 79 2HB LEU 79 -2.821 4.041 -5.810 494 HG LEU 79 HG LEU 79 -2.146 5.677 -8.011 495 1HD1 LEU 79 1HD1 LEU 79 -3.496 2.974 -7.837 496 2HD1 LEU 79 2HD1 LEU 79 -2.704 3.614 -9.276 497 3HD1 LEU 79 3HD1 LEU 79 -1.758 3.270 -7.829 498 1HD2 LEU 79 1HD2 LEU 79 -5.089 4.971 -7.934 499 2HD2 LEU 79 2HD2 LEU 79 -4.410 6.602 -7.970 500 3HD2 LEU 79 3HD2 LEU 79 -4.220 5.536 -9.363 501 H GLY 80 H GLY 80 -5.741 3.496 -6.401 502 1HA GLY 80 1HA GLY 80 -5.542 1.983 -3.927 503 2HA GLY 80 2HA GLY 80 -7.148 2.652 -4.195 504 H THR 81 H THR 81 -4.750 0.377 -5.449 505 HA THR 81 HA THR 81 -6.798 -0.636 -7.380 506 HB THR 81 HB THR 81 -5.113 -1.180 -8.794 507 HG1 THR 81 HG1 THR 81 -3.857 -2.726 -8.198 508 1HG2 THR 81 1HG2 THR 81 -4.397 1.086 -7.914 509 2HG2 THR 81 2HG2 THR 81 -3.268 0.235 -6.859 510 3HG2 THR 81 3HG2 THR 81 -3.100 0.110 -8.613 511 H ASP 82 H ASP 82 -6.281 -3.207 -7.683 512 HA ASP 82 HA ASP 82 -5.917 -4.561 -5.083 513 1HB ASP 82 1HB ASP 82 -8.534 -4.204 -6.447 514 2HB ASP 82 2HB ASP 82 -8.174 -5.843 -5.904 515 H VAL 83 H VAL 83 -5.203 -6.753 -5.437 516 HA VAL 83 HA VAL 83 -5.135 -7.577 -8.307 517 HB VAL 83 HB VAL 83 -2.889 -7.354 -8.278 518 1HG1 VAL 83 1HG1 VAL 83 -3.488 -6.128 -5.841 519 2HG1 VAL 83 2HG1 VAL 83 -2.282 -7.354 -5.420 520 3HG1 VAL 83 3HG1 VAL 83 -1.922 -6.132 -6.639 521 1HG2 VAL 83 1HG2 VAL 83 -3.039 -9.771 -7.795 522 2HG2 VAL 83 2HG2 VAL 83 -1.607 -9.059 -7.051 523 3HG2 VAL 83 3HG2 VAL 83 -3.028 -9.414 -6.067 524 H GLN 84 H GLN 84 -5.097 -9.872 -8.657 525 HA GLN 84 HA GLN 84 -5.924 -11.461 -6.260 526 1HB GLN 84 1HB GLN 84 -7.685 -11.023 -8.097 527 2HB GLN 84 2HB GLN 84 -6.723 -12.107 -9.102 528 1HG GLN 84 1HG GLN 84 -6.972 -13.909 -7.491 529 2HG GLN 84 2HG GLN 84 -7.792 -12.834 -6.360 530 1HE2 GLN 84 2HE2 GLN 84 -8.359 -15.125 -8.779 531 2HE2 GLN 84 1HE2 GLN 84 -9.963 -14.709 -9.149 532 H VAL 85 H VAL 85 -3.971 -12.450 -5.763 533 HA VAL 85 HA VAL 85 -2.227 -13.458 -7.876 534 HB VAL 85 HB VAL 85 -2.146 -13.611 -4.859 535 1HG1 VAL 85 1HG1 VAL 85 -0.152 -14.719 -6.861 536 2HG1 VAL 85 2HG1 VAL 85 0.085 -14.640 -5.116 537 3HG1 VAL 85 3HG1 VAL 85 -1.169 -15.680 -5.788 538 1HG2 VAL 85 1HG2 VAL 85 -1.261 -11.760 -6.872 539 2HG2 VAL 85 2HG2 VAL 85 -1.097 -11.635 -5.120 540 3HG2 VAL 85 3HG2 VAL 85 0.150 -12.446 -6.066 541 H GLU 86 H GLU 86 -2.087 -15.543 -8.597 542 HA GLU 86 HA GLU 86 -3.890 -17.557 -7.309 543 1HB GLU 86 1HB GLU 86 -3.135 -17.409 -10.237 544 2HB GLU 86 2HB GLU 86 -4.343 -18.462 -9.501 545 1HG GLU 86 1HG GLU 86 -5.649 -16.461 -8.822 546 2HG GLU 86 2HG GLU 86 -4.463 -15.433 -9.627 547 H ALA 87 H ALA 87 -2.919 -19.700 -9.004 548 HA ALA 87 HA ALA 87 -1.250 -21.319 -9.026 549 1HB ALA 87 1HB ALA 87 -0.122 -18.941 -9.810 550 2HB ALA 87 2HB ALA 87 0.962 -19.480 -8.527 551 3HB ALA 87 3HB ALA 87 0.656 -20.522 -9.918 Start of MODEL 14 1 H ALA 8 H ALA 8 -4.859 9.494 -8.315 2 HA ALA 8 HA ALA 8 -4.506 10.344 -11.081 3 1HB ALA 8 1HB ALA 8 -2.912 8.729 -9.106 4 2HB ALA 8 2HB ALA 8 -2.446 8.756 -10.807 5 3HB ALA 8 3HB ALA 8 -2.498 10.256 -9.883 6 H THR 9 H THR 9 -3.558 8.411 -12.550 7 HA THR 9 HA THR 9 -5.828 6.582 -12.886 8 HB THR 9 HB THR 9 -4.291 7.909 -14.690 9 HG1 THR 9 HG1 THR 9 -6.152 7.000 -15.329 10 1HG2 THR 9 1HG2 THR 9 -2.337 6.445 -14.112 11 2HG2 THR 9 2HG2 THR 9 -3.265 5.064 -14.694 12 3HG2 THR 9 3HG2 THR 9 -2.810 6.353 -15.807 13 H LEU 10 H LEU 10 -5.701 4.414 -12.625 14 HA LEU 10 HA LEU 10 -3.403 3.407 -11.052 15 1HB LEU 10 1HB LEU 10 -6.178 2.301 -11.607 16 2HB LEU 10 2HB LEU 10 -4.966 1.473 -10.634 17 HG LEU 10 HG LEU 10 -4.903 3.389 -9.083 18 1HD1 LEU 10 1HD1 LEU 10 -6.928 4.501 -11.028 19 2HD1 LEU 10 2HD1 LEU 10 -6.885 5.039 -9.349 20 3HD1 LEU 10 3HD1 LEU 10 -5.481 5.282 -10.389 21 1HD2 LEU 10 1HD2 LEU 10 -6.623 1.432 -8.998 22 2HD2 LEU 10 2HD2 LEU 10 -6.877 2.829 -7.952 23 3HD2 LEU 10 3HD2 LEU 10 -7.799 2.666 -9.447 24 H VAL 11 H VAL 11 -1.847 2.904 -12.696 25 HA VAL 11 HA VAL 11 -2.776 0.916 -14.726 26 HB VAL 11 HB VAL 11 -0.225 2.558 -14.715 27 1HG1 VAL 11 1HG1 VAL 11 -1.233 0.302 -16.283 28 2HG1 VAL 11 2HG1 VAL 11 -0.883 1.702 -17.297 29 3HG1 VAL 11 3HG1 VAL 11 0.379 1.018 -16.272 30 1HG2 VAL 11 1HG2 VAL 11 -2.984 3.124 -15.580 31 2HG2 VAL 11 2HG2 VAL 11 -1.640 4.235 -15.316 32 3HG2 VAL 11 3HG2 VAL 11 -1.782 3.370 -16.847 33 H GLY 12 H GLY 12 -2.351 -1.149 -14.114 34 1HA GLY 12 1HA GLY 12 0.143 -1.639 -12.529 35 2HA GLY 12 2HA GLY 12 -1.354 -2.523 -12.238 36 HA PRO 13 HA PRO 13 0.277 -3.983 -16.532 37 1HB PRO 13 1HB PRO 13 2.783 -3.090 -17.223 38 2HB PRO 13 2HB PRO 13 1.280 -2.270 -17.681 39 1HG PRO 13 1HG PRO 13 3.252 -1.537 -15.552 40 2HG PRO 13 2HG PRO 13 2.212 -0.485 -16.531 41 1HD PRO 13 1HD PRO 13 1.695 -1.203 -13.878 42 2HD PRO 13 2HD PRO 13 0.482 -0.603 -15.024 43 H HIS 14 H HIS 14 1.457 -5.839 -16.952 44 HA HIS 14 HA HIS 14 3.800 -6.901 -16.256 45 1HB HIS 14 1HB HIS 14 3.736 -6.315 -13.938 46 2HB HIS 14 2HB HIS 14 2.089 -6.927 -13.764 47 HD1 HIS 14 HD1 HIS 14 1.778 -9.507 -13.653 48 HD2 HIS 14 HD2 HIS 14 5.758 -8.305 -13.948 49 HE1 HIS 14 HE1 HIS 14 3.184 -11.558 -13.176 50 H GLY 15 H GLY 15 0.393 -7.517 -15.741 51 1HA GLY 15 1HA GLY 15 -0.675 -9.192 -17.276 52 2HA GLY 15 2HA GLY 15 0.745 -10.205 -17.003 53 HA PRO 16 HA PRO 16 -2.178 -11.688 -13.873 54 1HB PRO 16 1HB PRO 16 -1.256 -14.272 -13.969 55 2HB PRO 16 2HB PRO 16 -2.486 -13.632 -15.073 56 1HG PRO 16 1HG PRO 16 0.389 -14.225 -15.611 57 2HG PRO 16 2HG PRO 16 -0.982 -14.204 -16.734 58 1HD PRO 16 1HD PRO 16 0.954 -12.159 -16.450 59 2HD PRO 16 2HD PRO 16 -0.596 -12.015 -17.306 60 H LEU 17 H LEU 17 -1.731 -12.187 -11.666 61 HA LEU 17 HA LEU 17 1.150 -11.954 -10.921 62 1HB LEU 17 1HB LEU 17 -1.417 -11.145 -9.605 63 2HB LEU 17 2HB LEU 17 -0.043 -11.552 -8.579 64 HG LEU 17 HG LEU 17 -0.183 -9.108 -9.160 65 1HD1 LEU 17 1HD1 LEU 17 2.034 -10.795 -9.081 66 2HD1 LEU 17 2HD1 LEU 17 2.301 -9.808 -10.518 67 3HD1 LEU 17 3HD1 LEU 17 2.062 -9.038 -8.949 68 1HD2 LEU 17 1HD2 LEU 17 -0.988 -9.722 -11.563 69 2HD2 LEU 17 2HD2 LEU 17 0.098 -8.347 -11.367 70 3HD2 LEU 17 3HD2 LEU 17 0.730 -9.897 -11.919 71 H ALA 18 H ALA 18 1.965 -14.009 -10.705 72 HA ALA 18 HA ALA 18 0.248 -16.115 -9.522 73 1HB ALA 18 1HB ALA 18 1.960 -16.299 -11.573 74 2HB ALA 18 2HB ALA 18 3.097 -16.626 -10.265 75 3HB ALA 18 3HB ALA 18 1.681 -17.655 -10.480 76 H SER 19 H SER 19 1.385 -17.537 -7.828 77 HA SER 19 HA SER 19 2.015 -16.016 -5.528 78 1HB SER 19 1HB SER 19 1.310 -18.320 -5.305 79 2HB SER 19 2HB SER 19 2.688 -18.882 -6.245 80 HG SER 19 HG SER 19 3.435 -17.330 -4.138 81 H GLY 20 H GLY 20 3.788 -14.823 -5.127 82 1HA GLY 20 1HA GLY 20 6.101 -14.318 -4.943 83 2HA GLY 20 2HA GLY 20 6.464 -15.835 -5.772 84 H GLN 21 H GLN 21 4.380 -13.147 -6.803 85 HA GLN 21 HA GLN 21 6.061 -12.951 -9.268 86 1HB GLN 21 1HB GLN 21 3.635 -13.714 -9.446 87 2HB GLN 21 2HB GLN 21 3.186 -12.076 -8.978 88 1HG GLN 21 1HG GLN 21 3.213 -11.824 -11.269 89 2HG GLN 21 2HG GLN 21 4.898 -11.444 -10.917 90 1HE2 GLN 21 2HE2 GLN 21 5.861 -12.315 -12.823 91 2HE2 GLN 21 1HE2 GLN 21 5.780 -13.961 -13.233 92 H LEU 22 H LEU 22 6.615 -10.908 -10.051 93 HA LEU 22 HA LEU 22 6.298 -8.668 -8.104 94 1HB LEU 22 1HB LEU 22 8.628 -9.560 -8.810 95 2HB LEU 22 2HB LEU 22 8.306 -8.788 -10.359 96 HG LEU 22 HG LEU 22 9.601 -7.344 -8.759 97 1HD1 LEU 22 1HD1 LEU 22 7.775 -6.561 -10.552 98 2HD1 LEU 22 2HD1 LEU 22 6.959 -5.991 -9.095 99 3HD1 LEU 22 3HD1 LEU 22 8.574 -5.408 -9.487 100 1HD2 LEU 22 1HD2 LEU 22 7.649 -8.253 -6.945 101 2HD2 LEU 22 2HD2 LEU 22 8.910 -7.060 -6.637 102 3HD2 LEU 22 3HD2 LEU 22 7.316 -6.536 -7.178 103 H ALA 23 H ALA 23 4.339 -7.765 -8.861 104 HA ALA 23 HA ALA 23 3.929 -7.300 -11.724 105 1HB ALA 23 1HB ALA 23 2.393 -6.855 -9.222 106 2HB ALA 23 2HB ALA 23 2.081 -5.710 -10.529 107 3HB ALA 23 3HB ALA 23 1.839 -7.438 -10.791 108 H ALA 24 H ALA 24 3.826 -5.044 -12.642 109 HA ALA 24 HA ALA 24 5.489 -3.173 -10.999 110 1HB ALA 24 1HB ALA 24 5.553 -3.673 -13.985 111 2HB ALA 24 2HB ALA 24 6.376 -2.325 -13.197 112 3HB ALA 24 3HB ALA 24 6.842 -3.989 -12.818 113 H PHE 25 H PHE 25 4.097 -1.677 -10.291 114 HA PHE 25 HA PHE 25 1.768 -0.907 -11.937 115 1HB PHE 25 1HB PHE 25 2.603 -0.224 -9.111 116 2HB PHE 25 2HB PHE 25 1.126 0.355 -9.872 117 HD1 PHE 25 HD1 PHE 25 2.885 -2.997 -9.618 118 HD2 PHE 25 HD2 PHE 25 -0.759 -0.745 -9.164 119 HE1 PHE 25 HE1 PHE 25 1.687 -5.042 -8.908 120 HE2 PHE 25 HE2 PHE 25 -1.936 -2.800 -8.448 121 HZ PHE 25 HZ PHE 25 -0.716 -4.952 -8.328 122 H HIS 26 H HIS 26 1.179 1.415 -11.984 123 HA HIS 26 HA HIS 26 3.221 3.430 -11.621 124 1HB HIS 26 1HB HIS 26 3.943 3.792 -13.742 125 2HB HIS 26 2HB HIS 26 3.436 2.134 -14.024 126 HD1 HIS 26 HD1 HIS 26 2.235 2.036 -16.188 127 HD2 HIS 26 HD2 HIS 26 1.335 5.520 -14.109 128 HE1 HIS 26 HE1 HIS 26 0.596 3.323 -17.626 129 H ILE 27 H ILE 27 2.229 5.378 -11.284 130 HA ILE 27 HA ILE 27 -0.740 5.440 -11.621 131 HB ILE 27 HB ILE 27 0.821 7.288 -9.825 132 1HG1 ILE 27 1HG1 ILE 27 1.682 5.061 -9.326 133 2HG1 ILE 27 2HG1 ILE 27 0.577 5.554 -8.041 134 1HG2 ILE 27 1HG2 ILE 27 -1.970 6.252 -10.081 135 2HG2 ILE 27 2HG2 ILE 27 -1.364 6.567 -8.448 136 3HG2 ILE 27 3HG2 ILE 27 -1.400 7.864 -9.646 137 1HD1 ILE 27 1HD1 ILE 27 -1.179 4.383 -9.739 138 2HD1 ILE 27 2HD1 ILE 27 0.263 3.431 -10.085 139 3HD1 ILE 27 3HD1 ILE 27 -0.364 3.513 -8.440 140 H ALA 28 H ALA 28 -1.724 7.432 -12.437 141 HA ALA 28 HA ALA 28 0.266 9.314 -13.685 142 1HB ALA 28 1HB ALA 28 -0.820 7.455 -15.207 143 2HB ALA 28 2HB ALA 28 -2.191 8.568 -15.204 144 3HB ALA 28 3HB ALA 28 -0.620 9.102 -15.805 145 H ALA 29 H ALA 29 -0.279 11.454 -13.613 146 HA ALA 29 HA ALA 29 -2.809 12.595 -13.846 147 1HB ALA 29 1HB ALA 29 -2.326 11.562 -11.136 148 2HB ALA 29 2HB ALA 29 -2.795 13.261 -11.176 149 3HB ALA 29 3HB ALA 29 -3.837 12.042 -11.907 150 HA PRO 30 HA PRO 30 0.004 15.989 -12.205 151 1HB PRO 30 1HB PRO 30 1.959 15.388 -10.362 152 2HB PRO 30 2HB PRO 30 0.297 15.812 -9.917 153 1HG PRO 30 1HG PRO 30 1.628 13.153 -9.857 154 2HG PRO 30 2HG PRO 30 0.233 13.729 -8.934 155 1HD PRO 30 1HD PRO 30 0.157 12.038 -11.220 156 2HD PRO 30 2HD PRO 30 -1.224 12.826 -10.431 157 H LEU 31 H LEU 31 0.621 15.143 -14.449 158 HA LEU 31 HA LEU 31 2.436 13.735 -15.612 159 1HB LEU 31 1HB LEU 31 3.475 16.343 -16.254 160 2HB LEU 31 2HB LEU 31 2.481 15.270 -17.230 161 HG LEU 31 HG LEU 31 1.192 16.867 -15.034 162 1HD1 LEU 31 1HD1 LEU 31 2.660 18.023 -17.176 163 2HD1 LEU 31 2HD1 LEU 31 0.948 18.206 -17.560 164 3HD1 LEU 31 3HD1 LEU 31 1.583 18.836 -16.040 165 1HD2 LEU 31 1HD2 LEU 31 0.376 15.104 -17.127 166 2HD2 LEU 31 2HD2 LEU 31 -0.649 15.961 -15.977 167 3HD2 LEU 31 3HD2 LEU 31 -0.237 16.710 -17.520 168 HA PRO 32 HA PRO 32 6.539 15.446 -14.017 169 1HB PRO 32 1HB PRO 32 6.540 17.621 -12.340 170 2HB PRO 32 2HB PRO 32 6.598 17.746 -14.106 171 1HG PRO 32 1HG PRO 32 4.315 18.275 -12.259 172 2HG PRO 32 2HG PRO 32 4.643 18.955 -13.861 173 1HD PRO 32 1HD PRO 32 2.791 16.899 -13.284 174 2HD PRO 32 2HD PRO 32 3.378 17.360 -14.894 175 H VAL 33 H VAL 33 5.409 13.422 -12.705 176 HA VAL 33 HA VAL 33 5.154 13.922 -9.826 177 HB VAL 33 HB VAL 33 5.287 11.307 -11.356 178 1HG1 VAL 33 1HG1 VAL 33 4.718 12.039 -8.482 179 2HG1 VAL 33 2HG1 VAL 33 4.094 10.547 -9.188 180 3HG1 VAL 33 3HG1 VAL 33 5.834 10.820 -9.099 181 1HG2 VAL 33 1HG2 VAL 33 3.118 13.225 -10.628 182 2HG2 VAL 33 2HG2 VAL 33 3.289 12.232 -12.076 183 3HG2 VAL 33 3HG2 VAL 33 2.748 11.500 -10.564 184 H THR 34 H THR 34 6.641 13.217 -8.232 185 HA THR 34 HA THR 34 9.349 12.518 -9.275 186 HB THR 34 HB THR 34 9.266 14.815 -8.372 187 HG1 THR 34 HG1 THR 34 11.121 14.531 -7.404 188 1HG2 THR 34 1HG2 THR 34 7.485 13.741 -6.548 189 2HG2 THR 34 2HG2 THR 34 8.941 13.983 -5.582 190 3HG2 THR 34 3HG2 THR 34 8.217 15.342 -6.441 191 H ALA 35 H ALA 35 6.825 11.641 -7.110 192 HA ALA 35 HA ALA 35 8.047 9.129 -6.501 193 1HB ALA 35 1HB ALA 35 8.548 11.411 -4.702 194 2HB ALA 35 2HB ALA 35 8.020 9.931 -3.900 195 3HB ALA 35 3HB ALA 35 9.469 9.919 -4.906 196 H THR 36 H THR 36 6.502 7.732 -5.703 197 HA THR 36 HA THR 36 3.981 8.953 -4.650 198 HB THR 36 HB THR 36 2.974 8.157 -6.514 199 HG1 THR 36 HG1 THR 36 1.990 6.577 -5.598 200 1HG2 THR 36 1HG2 THR 36 5.492 6.577 -6.843 201 2HG2 THR 36 2HG2 THR 36 4.063 6.113 -7.767 202 3HG2 THR 36 3HG2 THR 36 4.738 7.731 -7.943 203 H ARG 37 H ARG 37 3.292 8.024 -2.755 204 HA ARG 37 HA ARG 37 4.946 5.838 -1.654 205 1HB ARG 37 1HB ARG 37 3.561 8.101 -0.553 206 2HB ARG 37 2HB ARG 37 2.931 6.628 0.187 207 1HG ARG 37 1HG ARG 37 5.173 5.917 0.803 208 2HG ARG 37 2HG ARG 37 5.878 7.289 -0.055 209 1HD ARG 37 1HD ARG 37 3.825 7.907 2.010 210 2HD ARG 37 2HD ARG 37 5.396 7.352 2.587 211 HE ARG 37 HE ARG 37 5.630 9.449 0.585 212 1HH1 ARG 37 1HH2 ARG 37 3.775 10.425 2.815 213 2HH1 ARG 37 2HH2 ARG 37 4.911 11.187 3.876 214 1HH2 ARG 37 1HH1 ARG 37 7.678 9.688 2.419 215 2HH2 ARG 37 2HH1 ARG 37 7.123 10.769 3.652 216 H TRP 38 H TRP 38 4.226 3.811 -2.092 217 HA TRP 38 HA TRP 38 1.313 3.375 -2.536 218 1HB TRP 38 1HB TRP 38 3.588 1.436 -2.934 219 2HB TRP 38 2HB TRP 38 1.925 1.229 -3.455 220 HD1 TRP 38 HD1 TRP 38 4.540 4.054 -3.957 221 HE1 TRP 38 HE1 TRP 38 4.547 4.659 -6.456 222 HE3 TRP 38 HE3 TRP 38 1.010 0.801 -5.648 223 HZ2 TRP 38 HZ2 TRP 38 3.230 3.867 -8.864 224 HZ3 TRP 38 HZ3 TRP 38 0.396 0.747 -8.041 225 HH2 TRP 38 HH2 TRP 38 1.504 2.271 -9.651 226 H ASP 39 H ASP 39 0.736 1.015 -1.794 227 HA ASP 39 HA ASP 39 1.939 0.266 0.766 228 1HB ASP 39 1HB ASP 39 -0.453 1.846 0.694 229 2HB ASP 39 2HB ASP 39 -0.888 0.218 1.220 230 H PHE 40 H PHE 40 2.400 -1.795 0.050 231 HA PHE 40 HA PHE 40 0.511 -3.154 -1.728 232 1HB PHE 40 1HB PHE 40 2.885 -4.456 -0.390 233 2HB PHE 40 2HB PHE 40 2.075 -4.926 -1.878 234 HD1 PHE 40 HD1 PHE 40 1.871 -1.718 -2.563 235 HD2 PHE 40 HD2 PHE 40 5.007 -4.560 -1.769 236 HE1 PHE 40 HE1 PHE 40 3.454 -0.360 -3.896 237 HE2 PHE 40 HE2 PHE 40 6.579 -3.189 -3.105 238 HZ PHE 40 HZ PHE 40 5.803 -1.093 -4.168 239 H GLY 41 H GLY 41 1.883 -4.232 1.409 240 1HA GLY 41 1HA GLY 41 0.507 -5.004 3.258 241 2HA GLY 41 2HA GLY 41 -0.842 -5.194 2.136 242 H ASP 42 H ASP 42 1.836 -6.362 0.577 243 HA ASP 42 HA ASP 42 1.119 -9.178 1.189 244 1HB ASP 42 1HB ASP 42 2.624 -9.610 -0.813 245 2HB ASP 42 2HB ASP 42 1.204 -8.626 -1.167 246 H GLY 43 H GLY 43 2.607 -7.572 3.103 247 1HA GLY 43 1HA GLY 43 4.374 -8.553 4.540 248 2HA GLY 43 2HA GLY 43 5.226 -9.001 3.052 249 H SER 44 H SER 44 4.593 -6.621 1.592 250 HA SER 44 HA SER 44 6.374 -4.677 2.994 251 1HB SER 44 1HB SER 44 5.605 -4.773 0.060 252 2HB SER 44 2HB SER 44 6.848 -3.763 0.789 253 HG SER 44 HG SER 44 6.825 -6.514 0.267 254 H ALA 45 H ALA 45 4.795 -3.619 4.256 255 HA ALA 45 HA ALA 45 2.246 -2.794 3.186 256 1HB ALA 45 1HB ALA 45 3.781 -2.179 5.691 257 2HB ALA 45 2HB ALA 45 2.315 -1.277 5.302 258 3HB ALA 45 3HB ALA 45 2.245 -3.027 5.512 259 H GLU 46 H GLU 46 4.101 -0.314 4.731 260 HA GLU 46 HA GLU 46 3.432 1.745 2.951 261 1HB GLU 46 1HB GLU 46 5.560 1.345 4.995 262 2HB GLU 46 2HB GLU 46 5.794 2.665 3.849 263 1HG GLU 46 1HG GLU 46 3.240 3.153 4.438 264 2HG GLU 46 2HG GLU 46 3.669 2.308 5.925 265 H VAL 47 H VAL 47 4.478 2.678 1.149 266 HA VAL 47 HA VAL 47 6.803 1.170 0.039 267 HB VAL 47 HB VAL 47 4.247 1.897 -1.421 268 1HG1 VAL 47 1HG1 VAL 47 6.810 0.630 -2.421 269 2HG1 VAL 47 2HG1 VAL 47 5.324 0.799 -3.351 270 3HG1 VAL 47 3HG1 VAL 47 6.211 2.235 -2.842 271 1HG2 VAL 47 1HG2 VAL 47 4.786 -0.299 0.140 272 2HG2 VAL 47 2HG2 VAL 47 3.649 -0.282 -1.206 273 3HG2 VAL 47 3HG2 VAL 47 5.297 -0.853 -1.451 274 H ASP 48 H ASP 48 8.348 2.506 -0.735 275 HA ASP 48 HA ASP 48 7.626 5.364 -1.243 276 1HB ASP 48 1HB ASP 48 9.967 4.033 0.018 277 2HB ASP 48 2HB ASP 48 10.340 5.383 -1.054 278 H ALA 49 H ALA 49 7.097 5.127 -3.454 279 HA ALA 49 HA ALA 49 9.120 3.816 -5.197 280 1HB ALA 49 1HB ALA 49 6.391 3.672 -5.187 281 2HB ALA 49 2HB ALA 49 6.678 4.878 -6.444 282 3HB ALA 49 3HB ALA 49 7.411 3.278 -6.570 283 H ALA 50 H ALA 50 10.064 4.879 -6.954 284 HA ALA 50 HA ALA 50 10.361 7.779 -6.643 285 1HB ALA 50 1HB ALA 50 11.640 5.680 -8.383 286 2HB ALA 50 2HB ALA 50 11.857 7.392 -8.745 287 3HB ALA 50 3HB ALA 50 12.396 6.743 -7.196 288 H GLY 51 H GLY 51 9.855 9.315 -8.310 289 1HA GLY 51 1HA GLY 51 8.308 10.257 -9.809 290 2HA GLY 51 2HA GLY 51 8.740 8.877 -10.824 291 HA PRO 52 HA PRO 52 4.386 8.151 -9.721 292 1HB PRO 52 1HB PRO 52 3.519 7.920 -12.311 293 2HB PRO 52 2HB PRO 52 3.623 9.471 -11.463 294 1HG PRO 52 1HG PRO 52 5.346 8.418 -13.637 295 2HG PRO 52 2HG PRO 52 5.094 10.093 -13.122 296 1HD PRO 52 1HD PRO 52 7.329 8.401 -12.486 297 2HD PRO 52 2HD PRO 52 7.019 10.047 -11.893 298 H ALA 53 H ALA 53 6.632 6.116 -9.833 299 HA ALA 53 HA ALA 53 4.966 3.904 -10.938 300 1HB ALA 53 1HB ALA 53 7.190 4.948 -12.309 301 2HB ALA 53 2HB ALA 53 7.726 3.419 -11.614 302 3HB ALA 53 3HB ALA 53 6.313 3.461 -12.670 303 H ALA 54 H ALA 54 5.288 1.903 -10.007 304 HA ALA 54 HA ALA 54 7.484 1.405 -8.126 305 1HB ALA 54 1HB ALA 54 5.531 2.655 -6.882 306 2HB ALA 54 2HB ALA 54 4.702 1.107 -7.004 307 3HB ALA 54 3HB ALA 54 6.235 1.222 -6.137 308 H SER 55 H SER 55 6.809 -0.915 -7.028 309 HA SER 55 HA SER 55 5.331 -2.512 -9.044 310 1HB SER 55 1HB SER 55 7.569 -4.068 -8.291 311 2HB SER 55 2HB SER 55 7.170 -3.445 -9.889 312 HG SER 55 HG SER 55 8.528 -1.821 -9.603 313 H HIS 56 H HIS 56 4.552 -4.524 -8.206 314 HA HIS 56 HA HIS 56 4.464 -4.545 -5.223 315 1HB HIS 56 1HB HIS 56 2.522 -5.188 -7.364 316 2HB HIS 56 2HB HIS 56 2.478 -6.214 -5.931 317 HD1 HIS 56 HD1 HIS 56 2.463 -2.497 -6.794 318 HD2 HIS 56 HD2 HIS 56 1.167 -5.081 -3.799 319 HE1 HIS 56 HE1 HIS 56 1.131 -1.091 -5.153 320 H ARG 57 H ARG 57 5.066 -6.344 -4.111 321 HA ARG 57 HA ARG 57 6.097 -8.648 -5.709 322 1HB ARG 57 1HB ARG 57 7.499 -9.104 -3.642 323 2HB ARG 57 2HB ARG 57 7.914 -7.624 -4.505 324 1HG ARG 57 1HG ARG 57 5.879 -6.943 -2.637 325 2HG ARG 57 2HG ARG 57 7.066 -7.923 -1.778 326 1HD ARG 57 1HD ARG 57 7.690 -5.550 -1.681 327 2HD ARG 57 2HD ARG 57 8.874 -6.461 -2.616 328 HE ARG 57 HE ARG 57 6.713 -5.126 -4.136 329 1HH1 ARG 57 1HH1 ARG 57 9.488 -4.157 -2.539 330 2HH1 ARG 57 2HH1 ARG 57 10.294 -3.535 -3.939 331 1HH2 ARG 57 1HH2 ARG 57 7.948 -4.777 -6.170 332 2HH2 ARG 57 2HH2 ARG 57 9.424 -3.890 -5.997 333 H TYR 58 H TYR 58 4.069 -9.737 -5.738 334 HA TYR 58 HA TYR 58 2.773 -10.315 -3.147 335 1HB TYR 58 1HB TYR 58 2.060 -10.927 -6.024 336 2HB TYR 58 2HB TYR 58 1.095 -11.492 -4.660 337 HD1 TYR 58 HD1 TYR 58 0.965 -9.492 -2.759 338 HD2 TYR 58 HD2 TYR 58 1.109 -9.038 -7.021 339 HE1 TYR 58 HE1 TYR 58 -0.167 -7.305 -2.559 340 HE2 TYR 58 HE2 TYR 58 -0.032 -6.844 -6.822 341 HH TYR 58 HH TYR 58 -0.870 -5.525 -3.613 342 H VAL 59 H VAL 59 3.085 -12.208 -2.046 343 HA VAL 59 HA VAL 59 4.626 -14.334 -3.471 344 HB VAL 59 HB VAL 59 5.775 -13.103 -1.579 345 1HG1 VAL 59 1HG1 VAL 59 3.669 -13.015 -0.163 346 2HG1 VAL 59 2HG1 VAL 59 3.903 -14.734 0.156 347 3HG1 VAL 59 3HG1 VAL 59 5.114 -13.565 0.684 348 1HG2 VAL 59 1HG2 VAL 59 5.469 -16.001 -1.980 349 2HG2 VAL 59 2HG2 VAL 59 6.937 -15.035 -1.841 350 3HG2 VAL 59 3HG2 VAL 59 6.091 -15.568 -0.388 351 H LEU 60 H LEU 60 1.857 -13.729 -1.336 352 HA LEU 60 HA LEU 60 1.331 -16.659 -1.284 353 1HB LEU 60 1HB LEU 60 1.078 -14.693 0.658 354 2HB LEU 60 2HB LEU 60 -0.582 -14.938 0.112 355 HG LEU 60 HG LEU 60 0.731 -17.490 0.378 356 1HD1 LEU 60 1HD1 LEU 60 2.135 -16.173 2.014 357 2HD1 LEU 60 2HD1 LEU 60 0.656 -15.826 2.911 358 3HD1 LEU 60 3HD1 LEU 60 1.218 -17.489 2.745 359 1HD2 LEU 60 1HD2 LEU 60 -1.776 -16.473 0.608 360 2HD2 LEU 60 2HD2 LEU 60 -1.306 -18.036 1.276 361 3HD2 LEU 60 3HD2 LEU 60 -1.343 -16.609 2.312 362 HA PRO 61 HA PRO 61 -1.782 -16.165 -4.349 363 1HB PRO 61 1HB PRO 61 -3.160 -18.494 -3.859 364 2HB PRO 61 2HB PRO 61 -1.606 -18.435 -4.710 365 1HG PRO 61 1HG PRO 61 -2.186 -19.324 -1.923 366 2HG PRO 61 2HG PRO 61 -0.871 -19.811 -3.005 367 1HD PRO 61 1HD PRO 61 -0.657 -17.974 -0.868 368 2HD PRO 61 2HD PRO 61 0.537 -18.209 -2.161 369 H GLY 62 H GLY 62 -3.498 -14.785 -4.140 370 1HA GLY 62 1HA GLY 62 -5.927 -15.270 -2.902 371 2HA GLY 62 2HA GLY 62 -4.950 -14.530 -1.632 372 H ARG 63 H ARG 63 -6.440 -12.683 -1.709 373 HA ARG 63 HA ARG 63 -6.045 -10.980 -4.132 374 1HB ARG 63 1HB ARG 63 -8.416 -11.750 -2.974 375 2HB ARG 63 2HB ARG 63 -8.145 -10.167 -2.243 376 1HG ARG 63 1HG ARG 63 -7.525 -9.520 -4.755 377 2HG ARG 63 2HG ARG 63 -8.590 -10.880 -5.110 378 1HD ARG 63 1HD ARG 63 -10.426 -9.866 -3.965 379 2HD ARG 63 2HD ARG 63 -9.383 -8.648 -3.233 380 HE ARG 63 HE ARG 63 -9.033 -7.836 -5.654 381 1HH1 ARG 63 1HH1 ARG 63 -11.244 -10.227 -5.962 382 2HH1 ARG 63 2HH1 ARG 63 -12.549 -9.244 -6.535 383 1HH2 ARG 63 1HH2 ARG 63 -10.969 -6.247 -5.797 384 2HH2 ARG 63 2HH2 ARG 63 -12.393 -6.990 -6.443 385 H TYR 64 H TYR 64 -4.679 -9.310 -3.833 386 HA TYR 64 HA TYR 64 -4.199 -8.332 -1.052 387 1HB TYR 64 1HB TYR 64 -2.590 -8.085 -3.603 388 2HB TYR 64 2HB TYR 64 -2.186 -7.234 -2.116 389 HD1 TYR 64 HD1 TYR 64 -1.444 -8.471 -0.114 390 HD2 TYR 64 HD2 TYR 64 -2.267 -10.468 -3.825 391 HE1 TYR 64 HE1 TYR 64 -0.206 -10.467 0.685 392 HE2 TYR 64 HE2 TYR 64 -1.035 -12.461 -3.027 393 HH TYR 64 HH TYR 64 0.239 -12.637 0.276 394 H HIS 65 H HIS 65 -4.373 -6.091 -0.619 395 HA HIS 65 HA HIS 65 -5.880 -4.554 -2.688 396 1HB HIS 65 1HB HIS 65 -7.019 -4.782 -0.521 397 2HB HIS 65 2HB HIS 65 -5.617 -4.091 0.298 398 HD1 HIS 65 HD1 HIS 65 -8.008 -3.112 -2.514 399 HD2 HIS 65 HD2 HIS 65 -5.801 -1.344 0.549 400 HE1 HIS 65 HE1 HIS 65 -8.576 -0.645 -2.555 401 H VAL 66 H VAL 66 -4.910 -2.775 -3.595 402 HA VAL 66 HA VAL 66 -2.266 -1.968 -2.457 403 HB VAL 66 HB VAL 66 -3.295 -1.773 -5.297 404 1HG1 VAL 66 1HG1 VAL 66 -0.621 -1.058 -4.051 405 2HG1 VAL 66 2HG1 VAL 66 -0.934 -1.122 -5.789 406 3HG1 VAL 66 3HG1 VAL 66 -1.771 0.064 -4.787 407 1HG2 VAL 66 1HG2 VAL 66 -1.449 -3.651 -3.856 408 2HG2 VAL 66 2HG2 VAL 66 -2.795 -4.032 -4.929 409 3HG2 VAL 66 3HG2 VAL 66 -1.294 -3.386 -5.594 410 H THR 67 H THR 67 -1.774 0.253 -2.336 411 HA THR 67 HA THR 67 -3.841 2.228 -3.078 412 HB THR 67 HB THR 67 -4.255 3.049 -0.941 413 HG1 THR 67 HG1 THR 67 -2.790 3.036 0.638 414 1HG2 THR 67 1HG2 THR 67 -5.116 0.730 -1.082 415 2HG2 THR 67 2HG2 THR 67 -3.612 0.143 -0.372 416 3HG2 THR 67 3HG2 THR 67 -4.689 1.175 0.570 417 H ALA 68 H ALA 68 -2.906 4.411 -3.170 418 HA ALA 68 HA ALA 68 -0.011 4.612 -2.619 419 1HB ALA 68 1HB ALA 68 -0.795 3.858 -5.159 420 2HB ALA 68 2HB ALA 68 -0.615 5.608 -5.315 421 3HB ALA 68 3HB ALA 68 0.739 4.623 -4.753 422 H VAL 69 H VAL 69 0.795 6.825 -2.943 423 HA VAL 69 HA VAL 69 -1.192 8.969 -3.206 424 HB VAL 69 HB VAL 69 -1.270 8.373 -0.792 425 1HG1 VAL 69 1HG1 VAL 69 1.292 7.697 -0.945 426 2HG1 VAL 69 2HG1 VAL 69 1.527 9.372 -0.451 427 3HG1 VAL 69 3HG1 VAL 69 0.598 8.274 0.569 428 1HG2 VAL 69 1HG2 VAL 69 -1.481 10.758 -1.659 429 2HG2 VAL 69 2HG2 VAL 69 -1.006 10.612 0.034 430 3HG2 VAL 69 3HG2 VAL 69 0.204 10.986 -1.193 431 H LEU 70 H LEU 70 -0.122 10.204 -4.729 432 HA LEU 70 HA LEU 70 2.822 10.142 -4.726 433 1HB LEU 70 1HB LEU 70 1.710 12.031 -6.609 434 2HB LEU 70 2HB LEU 70 2.689 10.603 -6.916 435 HG LEU 70 HG LEU 70 -0.311 10.643 -6.500 436 1HD1 LEU 70 1HD1 LEU 70 1.483 10.415 -8.920 437 2HD1 LEU 70 2HD1 LEU 70 -0.236 10.012 -8.954 438 3HD1 LEU 70 3HD1 LEU 70 0.278 11.661 -8.589 439 1HD2 LEU 70 1HD2 LEU 70 1.051 8.519 -5.848 440 2HD2 LEU 70 2HD2 LEU 70 -0.307 8.322 -6.959 441 3HD2 LEU 70 3HD2 LEU 70 1.344 8.359 -7.580 442 H ALA 71 H ALA 71 4.150 11.895 -4.327 443 HA ALA 71 HA ALA 71 2.766 14.353 -3.334 444 1HB ALA 71 1HB ALA 71 5.265 13.036 -2.252 445 2HB ALA 71 2HB ALA 71 4.725 14.660 -1.810 446 3HB ALA 71 3HB ALA 71 3.729 13.258 -1.410 447 H LEU 72 H LEU 72 3.193 15.971 -4.653 448 HA LEU 72 HA LEU 72 5.726 15.952 -6.218 449 1HB LEU 72 1HB LEU 72 3.002 16.547 -6.842 450 2HB LEU 72 2HB LEU 72 3.951 18.016 -7.043 451 HG LEU 72 HG LEU 72 4.409 15.325 -8.373 452 1HD1 LEU 72 1HD1 LEU 72 2.816 17.336 -9.177 453 2HD1 LEU 72 2HD1 LEU 72 4.349 17.946 -9.802 454 3HD1 LEU 72 3HD1 LEU 72 3.750 16.370 -10.317 455 1HD2 LEU 72 1HD2 LEU 72 6.362 17.237 -7.525 456 2HD2 LEU 72 2HD2 LEU 72 6.607 15.815 -8.536 457 3HD2 LEU 72 3HD2 LEU 72 6.217 17.367 -9.275 458 H GLY 73 H GLY 73 4.137 17.454 -3.631 459 1HA GLY 73 1HA GLY 73 5.479 18.973 -2.195 460 2HA GLY 73 2HA GLY 73 6.115 19.698 -3.675 461 H ALA 74 H ALA 74 3.941 20.126 -5.209 462 HA ALA 74 HA ALA 74 2.269 21.952 -3.540 463 1HB ALA 74 1HB ALA 74 3.689 23.032 -5.296 464 2HB ALA 74 2HB ALA 74 2.820 22.101 -6.515 465 3HB ALA 74 3HB ALA 74 1.963 23.298 -5.544 466 H GLY 75 H GLY 75 2.170 19.035 -5.200 467 1HA GLY 75 1HA GLY 75 -0.782 19.074 -5.172 468 2HA GLY 75 2HA GLY 75 -0.017 18.742 -6.728 469 H SER 76 H SER 76 -1.657 16.843 -5.375 470 HA SER 76 HA SER 76 0.304 14.643 -5.115 471 1HB SER 76 1HB SER 76 -0.158 14.089 -2.921 472 2HB SER 76 2HB SER 76 -0.400 15.829 -2.810 473 HG SER 76 HG SER 76 -2.193 13.783 -2.597 474 H ALA 77 H ALA 77 -0.829 12.513 -5.072 475 HA ALA 77 HA ALA 77 -3.604 12.627 -6.150 476 1HB ALA 77 1HB ALA 77 -1.190 11.932 -7.602 477 2HB ALA 77 2HB ALA 77 -2.311 10.569 -7.557 478 3HB ALA 77 3HB ALA 77 -2.838 12.121 -8.209 479 H LEU 78 H LEU 78 -4.633 10.405 -6.065 480 HA LEU 78 HA LEU 78 -3.400 8.765 -3.889 481 1HB LEU 78 1HB LEU 78 -6.370 9.127 -4.352 482 2HB LEU 78 2HB LEU 78 -5.587 8.345 -2.979 483 HG LEU 78 HG LEU 78 -5.051 11.239 -3.655 484 1HD1 LEU 78 1HD1 LEU 78 -7.553 10.220 -2.933 485 2HD1 LEU 78 2HD1 LEU 78 -6.861 10.805 -1.420 486 3HD1 LEU 78 3HD1 LEU 78 -7.028 11.898 -2.794 487 1HD2 LEU 78 1HD2 LEU 78 -3.694 9.665 -2.009 488 2HD2 LEU 78 2HD2 LEU 78 -4.067 11.327 -1.547 489 3HD2 LEU 78 3HD2 LEU 78 -5.044 9.996 -0.925 490 H LEU 79 H LEU 79 -3.699 6.492 -4.039 491 HA LEU 79 HA LEU 79 -4.803 5.518 -6.625 492 1HB LEU 79 1HB LEU 79 -2.097 5.605 -5.930 493 2HB LEU 79 2HB LEU 79 -2.565 3.937 -5.625 494 HG LEU 79 HG LEU 79 -1.808 4.902 -8.055 495 1HD1 LEU 79 1HD1 LEU 79 -3.641 2.631 -7.291 496 2HD1 LEU 79 2HD1 LEU 79 -3.070 2.848 -8.945 497 3HD1 LEU 79 3HD1 LEU 79 -1.912 2.567 -7.643 498 1HD2 LEU 79 1HD2 LEU 79 -3.893 6.309 -8.123 499 2HD2 LEU 79 2HD2 LEU 79 -3.764 5.164 -9.460 500 3HD2 LEU 79 3HD2 LEU 79 -4.834 4.816 -8.101 501 H GLY 80 H GLY 80 -5.377 3.215 -6.570 502 1HA GLY 80 1HA GLY 80 -5.419 1.742 -4.107 503 2HA GLY 80 2HA GLY 80 -6.982 2.501 -4.389 504 H THR 81 H THR 81 -4.880 -0.091 -5.325 505 HA THR 81 HA THR 81 -6.917 -0.942 -7.353 506 HB THR 81 HB THR 81 -5.267 -1.743 -8.764 507 HG1 THR 81 HG1 THR 81 -3.919 -3.039 -7.850 508 1HG2 THR 81 1HG2 THR 81 -4.969 0.739 -8.374 509 2HG2 THR 81 2HG2 THR 81 -3.651 0.335 -7.274 510 3HG2 THR 81 3HG2 THR 81 -3.536 -0.093 -8.982 511 H ASP 82 H ASP 82 -6.292 -3.523 -7.720 512 HA ASP 82 HA ASP 82 -5.938 -4.899 -5.135 513 1HB ASP 82 1HB ASP 82 -8.538 -4.333 -6.183 514 2HB ASP 82 2HB ASP 82 -8.245 -6.062 -6.379 515 H VAL 83 H VAL 83 -5.213 -7.089 -5.501 516 HA VAL 83 HA VAL 83 -5.076 -7.890 -8.368 517 HB VAL 83 HB VAL 83 -2.840 -7.562 -8.309 518 1HG1 VAL 83 1HG1 VAL 83 -3.491 -6.438 -5.839 519 2HG1 VAL 83 2HG1 VAL 83 -2.267 -7.654 -5.439 520 3HG1 VAL 83 3HG1 VAL 83 -1.911 -6.383 -6.611 521 1HG2 VAL 83 1HG2 VAL 83 -2.989 -10.014 -7.876 522 2HG2 VAL 83 2HG2 VAL 83 -1.524 -9.292 -7.209 523 3HG2 VAL 83 3HG2 VAL 83 -2.880 -9.674 -6.147 524 H GLN 84 H GLN 84 -5.269 -10.105 -8.740 525 HA GLN 84 HA GLN 84 -6.009 -11.733 -6.347 526 1HB GLN 84 1HB GLN 84 -7.399 -11.292 -8.717 527 2HB GLN 84 2HB GLN 84 -6.657 -12.871 -8.967 528 1HG GLN 84 1HG GLN 84 -7.517 -13.397 -6.565 529 2HG GLN 84 2HG GLN 84 -8.585 -12.015 -6.819 530 1HE2 GLN 84 2HE2 GLN 84 -9.350 -12.236 -9.462 531 2HE2 GLN 84 1HE2 GLN 84 -10.128 -13.719 -9.741 532 H VAL 85 H VAL 85 -3.775 -12.257 -5.894 533 HA VAL 85 HA VAL 85 -2.056 -13.426 -7.887 534 HB VAL 85 HB VAL 85 -1.948 -13.462 -4.864 535 1HG1 VAL 85 1HG1 VAL 85 0.123 -14.348 -6.900 536 2HG1 VAL 85 2HG1 VAL 85 0.407 -14.196 -5.165 537 3HG1 VAL 85 3HG1 VAL 85 -0.730 -15.400 -5.773 538 1HG2 VAL 85 1HG2 VAL 85 -1.489 -11.441 -6.736 539 2HG2 VAL 85 2HG2 VAL 85 -0.931 -11.453 -5.063 540 3HG2 VAL 85 3HG2 VAL 85 0.122 -12.044 -6.349 541 H GLU 86 H GLU 86 -1.896 -15.509 -8.549 542 HA GLU 86 HA GLU 86 -3.577 -17.537 -7.129 543 1HB GLU 86 1HB GLU 86 -2.679 -17.597 -10.025 544 2HB GLU 86 2HB GLU 86 -3.867 -18.648 -9.254 545 1HG GLU 86 1HG GLU 86 -4.460 -15.778 -8.971 546 2HG GLU 86 2HG GLU 86 -4.479 -16.351 -10.639 547 H ALA 87 H ALA 87 -2.460 -19.814 -8.391 548 HA ALA 87 HA ALA 87 0.417 -19.670 -7.610 549 1HB ALA 87 1HB ALA 87 -1.545 -20.916 -6.077 550 2HB ALA 87 2HB ALA 87 -0.825 -22.241 -6.991 551 3HB ALA 87 3HB ALA 87 0.190 -21.215 -5.977 Start of MODEL 15 1 H ALA 8 H ALA 8 -5.621 9.335 -8.791 2 HA ALA 8 HA ALA 8 -4.586 10.338 -11.416 3 1HB ALA 8 1HB ALA 8 -3.274 8.563 -9.336 4 2HB ALA 8 2HB ALA 8 -2.530 9.089 -10.846 5 3HB ALA 8 3HB ALA 8 -2.923 10.271 -9.598 6 H THR 9 H THR 9 -3.612 8.398 -12.717 7 HA THR 9 HA THR 9 -5.806 6.461 -13.046 8 HB THR 9 HB THR 9 -4.185 7.774 -14.839 9 HG1 THR 9 HG1 THR 9 -5.032 5.693 -16.098 10 1HG2 THR 9 1HG2 THR 9 -2.284 6.300 -14.253 11 2HG2 THR 9 2HG2 THR 9 -3.262 4.894 -14.679 12 3HG2 THR 9 3HG2 THR 9 -2.806 6.060 -15.922 13 H LEU 10 H LEU 10 -5.602 4.318 -12.639 14 HA LEU 10 HA LEU 10 -3.267 3.502 -11.009 15 1HB LEU 10 1HB LEU 10 -6.001 2.271 -11.488 16 2HB LEU 10 2HB LEU 10 -4.753 1.519 -10.498 17 HG LEU 10 HG LEU 10 -4.737 3.468 -9.007 18 1HD1 LEU 10 1HD1 LEU 10 -6.797 4.516 -10.959 19 2HD1 LEU 10 2HD1 LEU 10 -6.656 5.140 -9.315 20 3HD1 LEU 10 3HD1 LEU 10 -5.303 5.297 -10.436 21 1HD2 LEU 10 1HD2 LEU 10 -6.415 1.528 -8.795 22 2HD2 LEU 10 2HD2 LEU 10 -6.785 3.004 -7.905 23 3HD2 LEU 10 3HD2 LEU 10 -7.614 2.658 -9.421 24 H VAL 11 H VAL 11 -1.737 3.100 -12.753 25 HA VAL 11 HA VAL 11 -2.545 0.981 -14.682 26 HB VAL 11 HB VAL 11 -0.057 2.714 -14.587 27 1HG1 VAL 11 1HG1 VAL 11 -0.892 0.358 -16.178 28 2HG1 VAL 11 2HG1 VAL 11 -0.314 1.721 -17.136 29 3HG1 VAL 11 3HG1 VAL 11 0.723 1.011 -15.900 30 1HG2 VAL 11 1HG2 VAL 11 -2.763 3.106 -15.614 31 2HG2 VAL 11 2HG2 VAL 11 -1.438 4.264 -15.490 32 3HG2 VAL 11 3HG2 VAL 11 -1.561 3.212 -16.900 33 H GLY 12 H GLY 12 -2.183 -1.054 -13.913 34 1HA GLY 12 1HA GLY 12 0.361 -1.513 -12.403 35 2HA GLY 12 2HA GLY 12 -1.144 -2.328 -11.972 36 HA PRO 13 HA PRO 13 0.184 -4.122 -16.241 37 1HB PRO 13 1HB PRO 13 2.661 -3.353 -17.154 38 2HB PRO 13 2HB PRO 13 1.151 -2.524 -17.571 39 1HG PRO 13 1HG PRO 13 3.278 -1.702 -15.632 40 2HG PRO 13 2HG PRO 13 2.203 -0.690 -16.615 41 1HD PRO 13 1HD PRO 13 1.843 -1.205 -13.890 42 2HD PRO 13 2HD PRO 13 0.573 -0.653 -14.995 43 H HIS 14 H HIS 14 1.288 -6.051 -16.591 44 HA HIS 14 HA HIS 14 3.757 -6.922 -15.675 45 1HB HIS 14 1HB HIS 14 3.103 -6.510 -13.377 46 2HB HIS 14 2HB HIS 14 1.591 -7.387 -13.614 47 HD1 HIS 14 HD1 HIS 14 1.657 -9.805 -13.006 48 HD2 HIS 14 HD2 HIS 14 5.461 -8.338 -13.848 49 HE1 HIS 14 HE1 HIS 14 3.272 -11.699 -12.543 50 H GLY 15 H GLY 15 0.377 -7.804 -15.907 51 1HA GLY 15 1HA GLY 15 -0.327 -9.401 -17.662 52 2HA GLY 15 2HA GLY 15 1.179 -10.280 -17.372 53 HA PRO 16 HA PRO 16 -1.732 -12.514 -14.742 54 1HB PRO 16 1HB PRO 16 -0.347 -14.877 -14.885 55 2HB PRO 16 2HB PRO 16 -1.535 -14.368 -16.098 56 1HG PRO 16 1HG PRO 16 1.442 -14.405 -16.294 57 2HG PRO 16 2HG PRO 16 0.232 -14.511 -17.584 58 1HD PRO 16 1HD PRO 16 1.721 -12.201 -16.895 59 2HD PRO 16 2HD PRO 16 0.287 -12.244 -17.944 60 H LEU 17 H LEU 17 -1.464 -13.051 -12.524 61 HA LEU 17 HA LEU 17 1.298 -12.617 -11.461 62 1HB LEU 17 1HB LEU 17 -1.395 -11.909 -10.273 63 2HB LEU 17 2HB LEU 17 0.115 -11.848 -9.363 64 HG LEU 17 HG LEU 17 0.245 -10.496 -11.973 65 1HD1 LEU 17 1HD1 LEU 17 -1.539 -9.406 -9.775 66 2HD1 LEU 17 2HD1 LEU 17 -1.050 -8.529 -11.225 67 3HD1 LEU 17 3HD1 LEU 17 -2.081 -9.954 -11.362 68 1HD2 LEU 17 1HD2 LEU 17 1.783 -10.525 -9.779 69 2HD2 LEU 17 2HD2 LEU 17 1.698 -9.105 -10.824 70 3HD2 LEU 17 3HD2 LEU 17 0.744 -9.170 -9.341 71 H ALA 18 H ALA 18 1.961 -14.747 -11.246 72 HA ALA 18 HA ALA 18 0.157 -16.700 -9.965 73 1HB ALA 18 1HB ALA 18 2.450 -16.835 -11.690 74 2HB ALA 18 2HB ALA 18 2.800 -17.732 -10.213 75 3HB ALA 18 3HB ALA 18 1.386 -18.146 -11.181 76 H SER 19 H SER 19 1.078 -17.952 -8.054 77 HA SER 19 HA SER 19 1.719 -16.169 -5.925 78 1HB SER 19 1HB SER 19 0.763 -18.191 -5.223 79 2HB SER 19 2HB SER 19 1.815 -19.159 -6.252 80 HG SER 19 HG SER 19 2.977 -17.552 -4.277 81 H GLY 20 H GLY 20 3.602 -15.073 -5.737 82 1HA GLY 20 1HA GLY 20 5.985 -15.123 -5.208 83 2HA GLY 20 2HA GLY 20 6.140 -16.556 -6.223 84 H GLN 21 H GLN 21 4.449 -13.536 -7.035 85 HA GLN 21 HA GLN 21 6.569 -12.988 -9.069 86 1HB GLN 21 1HB GLN 21 3.844 -13.817 -9.569 87 2HB GLN 21 2HB GLN 21 4.120 -12.200 -10.219 88 1HG GLN 21 1HG GLN 21 5.040 -13.271 -11.992 89 2HG GLN 21 2HG GLN 21 6.431 -13.512 -10.936 90 1HE2 GLN 21 1HE2 GLN 21 5.310 -15.331 -13.088 91 2HE2 GLN 21 2HE2 GLN 21 5.018 -16.807 -12.301 92 H LEU 22 H LEU 22 6.678 -10.742 -9.731 93 HA LEU 22 HA LEU 22 5.327 -8.919 -7.794 94 1HB LEU 22 1HB LEU 22 7.363 -8.128 -7.261 95 2HB LEU 22 2HB LEU 22 8.101 -9.261 -8.385 96 HG LEU 22 HG LEU 22 7.660 -7.582 -10.232 97 1HD1 LEU 22 1HD1 LEU 22 5.935 -6.376 -8.613 98 2HD1 LEU 22 2HD1 LEU 22 7.375 -5.508 -8.095 99 3HD1 LEU 22 3HD1 LEU 22 6.867 -5.446 -9.788 100 1HD2 LEU 22 1HD2 LEU 22 9.587 -7.447 -8.060 101 2HD2 LEU 22 2HD2 LEU 22 9.837 -7.202 -9.790 102 3HD2 LEU 22 3HD2 LEU 22 9.302 -5.858 -8.775 103 H ALA 23 H ALA 23 3.995 -7.430 -8.656 104 HA ALA 23 HA ALA 23 3.834 -7.191 -11.610 105 1HB ALA 23 1HB ALA 23 1.972 -7.018 -9.437 106 2HB ALA 23 2HB ALA 23 1.992 -5.472 -10.288 107 3HB ALA 23 3HB ALA 23 1.633 -6.963 -11.169 108 H ALA 24 H ALA 24 4.111 -5.080 -12.651 109 HA ALA 24 HA ALA 24 5.525 -3.164 -10.845 110 1HB ALA 24 1HB ALA 24 5.656 -3.579 -13.833 111 2HB ALA 24 2HB ALA 24 6.385 -2.194 -13.015 112 3HB ALA 24 3HB ALA 24 6.934 -3.830 -12.642 113 H PHE 25 H PHE 25 4.386 -1.424 -10.270 114 HA PHE 25 HA PHE 25 1.924 -0.769 -11.807 115 1HB PHE 25 1HB PHE 25 2.826 -0.093 -9.001 116 2HB PHE 25 2HB PHE 25 1.333 0.493 -9.724 117 HD1 PHE 25 HD1 PHE 25 3.123 -2.846 -9.410 118 HD2 PHE 25 HD2 PHE 25 -0.562 -0.630 -9.111 119 HE1 PHE 25 HE1 PHE 25 1.932 -4.885 -8.675 120 HE2 PHE 25 HE2 PHE 25 -1.733 -2.683 -8.387 121 HZ PHE 25 HZ PHE 25 -0.489 -4.813 -8.170 122 H HIS 26 H HIS 26 1.304 1.587 -11.723 123 HA HIS 26 HA HIS 26 3.295 3.623 -11.400 124 1HB HIS 26 1HB HIS 26 4.083 3.993 -13.491 125 2HB HIS 26 2HB HIS 26 3.616 2.325 -13.792 126 HD1 HIS 26 HD1 HIS 26 2.475 2.202 -15.984 127 HD2 HIS 26 HD2 HIS 26 1.470 5.684 -13.954 128 HE1 HIS 26 HE1 HIS 26 0.865 3.462 -17.479 129 H ILE 27 H ILE 27 2.279 5.612 -11.240 130 HA ILE 27 HA ILE 27 -0.690 5.572 -11.597 131 HB ILE 27 HB ILE 27 0.770 7.597 -9.918 132 1HG1 ILE 27 1HG1 ILE 27 1.717 5.400 -9.303 133 2HG1 ILE 27 2HG1 ILE 27 0.676 6.023 -8.020 134 1HG2 ILE 27 1HG2 ILE 27 -1.964 6.457 -10.170 135 2HG2 ILE 27 2HG2 ILE 27 -1.407 6.781 -8.520 136 3HG2 ILE 27 3HG2 ILE 27 -1.456 8.086 -9.713 137 1HD1 ILE 27 1HD1 ILE 27 -1.168 4.696 -9.470 138 2HD1 ILE 27 2HD1 ILE 27 0.249 3.721 -9.846 139 3HD1 ILE 27 3HD1 ILE 27 -0.251 3.936 -8.170 140 H ALA 28 H ALA 28 -1.705 7.398 -12.626 141 HA ALA 28 HA ALA 28 0.237 9.286 -13.941 142 1HB ALA 28 1HB ALA 28 -0.833 7.294 -15.340 143 2HB ALA 28 2HB ALA 28 -2.197 8.411 -15.427 144 3HB ALA 28 3HB ALA 28 -0.618 8.897 -16.047 145 H ALA 29 H ALA 29 -0.306 11.373 -13.521 146 HA ALA 29 HA ALA 29 -2.811 12.540 -14.016 147 1HB ALA 29 1HB ALA 29 -2.688 11.221 -11.415 148 2HB ALA 29 2HB ALA 29 -3.065 12.938 -11.278 149 3HB ALA 29 3HB ALA 29 -4.078 11.890 -12.268 150 HA PRO 30 HA PRO 30 -0.217 15.666 -11.558 151 1HB PRO 30 1HB PRO 30 1.737 14.705 -9.879 152 2HB PRO 30 2HB PRO 30 0.060 14.970 -9.374 153 1HG PRO 30 1HG PRO 30 1.476 12.410 -9.924 154 2HG PRO 30 2HG PRO 30 0.077 12.718 -8.883 155 1HD PRO 30 1HD PRO 30 0.009 11.589 -11.481 156 2HD PRO 30 2HD PRO 30 -1.383 12.174 -10.548 157 H LEU 31 H LEU 31 0.445 15.227 -13.972 158 HA LEU 31 HA LEU 31 2.406 14.166 -15.276 159 1HB LEU 31 1HB LEU 31 1.625 16.979 -15.142 160 2HB LEU 31 2HB LEU 31 3.254 16.734 -15.778 161 HG LEU 31 HG LEU 31 2.082 14.809 -17.161 162 1HD1 LEU 31 1HD1 LEU 31 -0.145 16.397 -16.028 163 2HD1 LEU 31 2HD1 LEU 31 -0.252 16.086 -17.761 164 3HD1 LEU 31 3HD1 LEU 31 -0.134 14.738 -16.628 165 1HD2 LEU 31 1HD2 LEU 31 2.800 17.503 -17.643 166 2HD2 LEU 31 2HD2 LEU 31 2.602 16.222 -18.838 167 3HD2 LEU 31 3HD2 LEU 31 1.239 17.263 -18.429 168 HA PRO 32 HA PRO 32 6.296 16.013 -13.347 169 1HB PRO 32 1HB PRO 32 6.077 17.936 -11.396 170 2HB PRO 32 2HB PRO 32 6.141 18.298 -13.129 171 1HG PRO 32 1HG PRO 32 3.802 18.373 -11.281 172 2HG PRO 32 2HG PRO 32 4.078 19.279 -12.778 173 1HD PRO 32 1HD PRO 32 2.425 16.996 -12.500 174 2HD PRO 32 2HD PRO 32 2.965 17.721 -14.028 175 H VAL 33 H VAL 33 5.698 13.735 -12.371 176 HA VAL 33 HA VAL 33 5.332 13.856 -9.420 177 HB VAL 33 HB VAL 33 5.631 11.308 -11.004 178 1HG1 VAL 33 1HG1 VAL 33 5.641 11.285 -8.507 179 2HG1 VAL 33 2HG1 VAL 33 4.043 12.033 -8.522 180 3HG1 VAL 33 3HG1 VAL 33 4.267 10.413 -9.186 181 1HG2 VAL 33 1HG2 VAL 33 3.104 12.933 -10.609 182 2HG2 VAL 33 2HG2 VAL 33 3.899 12.617 -12.152 183 3HG2 VAL 33 3HG2 VAL 33 3.163 11.292 -11.250 184 H THR 34 H THR 34 6.961 13.367 -8.020 185 HA THR 34 HA THR 34 9.575 12.554 -9.215 186 HB THR 34 HB THR 34 9.825 14.774 -8.350 187 HG1 THR 34 HG1 THR 34 11.473 13.368 -7.706 188 1HG2 THR 34 1HG2 THR 34 8.245 13.703 -6.015 189 2HG2 THR 34 2HG2 THR 34 9.211 15.173 -5.878 190 3HG2 THR 34 3HG2 THR 34 7.884 15.094 -7.037 191 H ALA 35 H ALA 35 7.089 11.712 -7.037 192 HA ALA 35 HA ALA 35 8.199 9.160 -6.464 193 1HB ALA 35 1HB ALA 35 8.823 11.389 -4.624 194 2HB ALA 35 2HB ALA 35 8.271 9.899 -3.857 195 3HB ALA 35 3HB ALA 35 9.698 9.881 -4.896 196 H THR 36 H THR 36 6.678 7.858 -5.326 197 HA THR 36 HA THR 36 4.209 9.227 -4.361 198 HB THR 36 HB THR 36 3.057 8.467 -6.148 199 HG1 THR 36 HG1 THR 36 2.201 6.858 -5.103 200 1HG2 THR 36 1HG2 THR 36 5.554 6.892 -6.701 201 2HG2 THR 36 2HG2 THR 36 4.083 6.587 -7.627 202 3HG2 THR 36 3HG2 THR 36 4.819 8.189 -7.650 203 H ARG 37 H ARG 37 3.354 8.218 -2.524 204 HA ARG 37 HA ARG 37 4.995 6.028 -1.407 205 1HB ARG 37 1HB ARG 37 3.134 8.068 -0.292 206 2HB ARG 37 2HB ARG 37 3.267 6.535 0.571 207 1HG ARG 37 1HG ARG 37 5.503 6.858 1.090 208 2HG ARG 37 2HG ARG 37 5.783 7.900 -0.305 209 1HD ARG 37 1HD ARG 37 4.201 8.642 2.174 210 2HD ARG 37 2HD ARG 37 5.814 9.227 1.762 211 HE ARG 37 HE ARG 37 3.290 10.073 0.492 212 1HH1 ARG 37 1HH1 ARG 37 5.227 9.593 -1.706 213 2HH1 ARG 37 2HH1 ARG 37 6.069 11.103 -1.807 214 1HH2 ARG 37 1HH2 ARG 37 5.018 12.199 1.311 215 2HH2 ARG 37 2HH2 ARG 37 5.946 12.581 -0.101 216 H TRP 38 H TRP 38 4.320 4.029 -2.061 217 HA TRP 38 HA TRP 38 1.424 3.560 -2.528 218 1HB TRP 38 1HB TRP 38 3.755 1.676 -2.909 219 2HB TRP 38 2HB TRP 38 2.101 1.402 -3.428 220 HD1 TRP 38 HD1 TRP 38 4.666 4.262 -3.933 221 HE1 TRP 38 HE1 TRP 38 4.610 4.920 -6.423 222 HE3 TRP 38 HE3 TRP 38 1.106 1.031 -5.605 223 HZ2 TRP 38 HZ2 TRP 38 3.251 4.153 -8.819 224 HZ3 TRP 38 HZ3 TRP 38 0.443 1.012 -7.988 225 HH2 TRP 38 HH2 TRP 38 1.515 2.561 -9.596 226 H ASP 39 H ASP 39 0.826 1.201 -1.810 227 HA ASP 39 HA ASP 39 1.975 0.430 0.773 228 1HB ASP 39 1HB ASP 39 -0.478 1.970 0.605 229 2HB ASP 39 2HB ASP 39 -0.816 0.360 1.243 230 H PHE 40 H PHE 40 2.401 -1.661 0.149 231 HA PHE 40 HA PHE 40 0.597 -2.956 -1.762 232 1HB PHE 40 1HB PHE 40 2.852 -4.314 -0.284 233 2HB PHE 40 2HB PHE 40 2.093 -4.796 -1.797 234 HD1 PHE 40 HD1 PHE 40 2.031 -1.557 -2.491 235 HD2 PHE 40 HD2 PHE 40 5.001 -4.560 -1.638 236 HE1 PHE 40 HE1 PHE 40 3.712 -0.280 -3.788 237 HE2 PHE 40 HE2 PHE 40 6.671 -3.270 -2.934 238 HZ PHE 40 HZ PHE 40 6.027 -1.135 -4.013 239 H GLY 41 H GLY 41 1.730 -4.147 1.424 240 1HA GLY 41 1HA GLY 41 0.185 -4.898 3.163 241 2HA GLY 41 2HA GLY 41 -1.069 -5.060 1.929 242 H ASP 42 H ASP 42 1.552 -6.236 0.420 243 HA ASP 42 HA ASP 42 0.831 -9.048 0.977 244 1HB ASP 42 1HB ASP 42 2.435 -9.458 -0.949 245 2HB ASP 42 2HB ASP 42 1.062 -8.431 -1.360 246 H GLY 43 H GLY 43 2.443 -7.244 2.834 247 1HA GLY 43 1HA GLY 43 4.046 -8.437 4.396 248 2HA GLY 43 2HA GLY 43 4.959 -8.837 2.930 249 H SER 44 H SER 44 4.485 -6.407 1.533 250 HA SER 44 HA SER 44 6.262 -4.582 3.078 251 1HB SER 44 1HB SER 44 5.679 -3.702 0.386 252 2HB SER 44 2HB SER 44 7.232 -4.149 1.085 253 HG SER 44 HG SER 44 6.811 -6.282 0.577 254 H ALA 45 H ALA 45 4.882 -3.391 4.375 255 HA ALA 45 HA ALA 45 2.248 -2.576 3.527 256 1HB ALA 45 1HB ALA 45 4.023 -1.810 5.840 257 2HB ALA 45 2HB ALA 45 2.451 -1.051 5.587 258 3HB ALA 45 3HB ALA 45 2.556 -2.789 5.866 259 H GLU 46 H GLU 46 4.174 -0.042 4.839 260 HA GLU 46 HA GLU 46 3.393 1.905 2.954 261 1HB GLU 46 1HB GLU 46 5.770 1.774 4.821 262 2HB GLU 46 2HB GLU 46 5.376 3.205 3.868 263 1HG GLU 46 1HG GLU 46 2.998 2.244 5.180 264 2HG GLU 46 2HG GLU 46 4.282 2.450 6.371 265 H VAL 47 H VAL 47 4.510 2.857 1.189 266 HA VAL 47 HA VAL 47 6.859 1.339 0.148 267 HB VAL 47 HB VAL 47 4.363 2.077 -1.411 268 1HG1 VAL 47 1HG1 VAL 47 6.433 2.255 -2.739 269 2HG1 VAL 47 2HG1 VAL 47 6.883 0.618 -2.255 270 3HG1 VAL 47 3HG1 VAL 47 5.455 0.883 -3.256 271 1HG2 VAL 47 1HG2 VAL 47 4.682 -0.055 0.266 272 2HG2 VAL 47 2HG2 VAL 47 3.667 -0.077 -1.173 273 3HG2 VAL 47 3HG2 VAL 47 5.307 -0.720 -1.240 274 H ASP 48 H ASP 48 8.403 2.670 -0.687 275 HA ASP 48 HA ASP 48 7.654 5.526 -1.187 276 1HB ASP 48 1HB ASP 48 10.340 4.338 -0.407 277 2HB ASP 48 2HB ASP 48 10.037 6.047 -0.727 278 H ALA 49 H ALA 49 7.089 5.127 -3.388 279 HA ALA 49 HA ALA 49 9.106 3.859 -5.138 280 1HB ALA 49 1HB ALA 49 6.395 3.778 -5.142 281 2HB ALA 49 2HB ALA 49 6.678 5.050 -6.330 282 3HB ALA 49 3HB ALA 49 7.386 3.449 -6.561 283 H ALA 50 H ALA 50 9.976 4.886 -6.990 284 HA ALA 50 HA ALA 50 10.419 7.781 -6.654 285 1HB ALA 50 1HB ALA 50 11.565 5.753 -8.599 286 2HB ALA 50 2HB ALA 50 12.031 7.454 -8.547 287 3HB ALA 50 3HB ALA 50 12.364 6.405 -7.168 288 H GLY 51 H GLY 51 9.908 9.324 -8.313 289 1HA GLY 51 1HA GLY 51 8.354 10.265 -9.813 290 2HA GLY 51 2HA GLY 51 8.803 8.893 -10.833 291 HA PRO 52 HA PRO 52 4.458 8.103 -9.712 292 1HB PRO 52 1HB PRO 52 3.561 7.870 -12.291 293 2HB PRO 52 2HB PRO 52 3.654 9.419 -11.438 294 1HG PRO 52 1HG PRO 52 5.352 8.403 -13.644 295 2HG PRO 52 2HG PRO 52 5.094 10.071 -13.109 296 1HD PRO 52 1HD PRO 52 7.355 8.382 -12.519 297 2HD PRO 52 2HD PRO 52 7.053 10.028 -11.921 298 H ALA 53 H ALA 53 6.661 6.081 -9.763 299 HA ALA 53 HA ALA 53 5.045 3.858 -10.910 300 1HB ALA 53 1HB ALA 53 7.428 4.893 -12.139 301 2HB ALA 53 2HB ALA 53 7.715 3.240 -11.596 302 3HB ALA 53 3HB ALA 53 6.375 3.589 -12.687 303 H ALA 54 H ALA 54 5.316 1.888 -9.914 304 HA ALA 54 HA ALA 54 7.482 1.476 -7.945 305 1HB ALA 54 1HB ALA 54 5.570 2.592 -6.707 306 2HB ALA 54 2HB ALA 54 4.574 1.199 -7.124 307 3HB ALA 54 3HB ALA 54 5.992 0.991 -6.095 308 H SER 55 H SER 55 6.600 -0.853 -6.805 309 HA SER 55 HA SER 55 5.491 -2.614 -8.893 310 1HB SER 55 1HB SER 55 7.888 -3.865 -7.943 311 2HB SER 55 2HB SER 55 7.396 -3.512 -9.598 312 HG SER 55 HG SER 55 8.986 -2.131 -9.500 313 H HIS 56 H HIS 56 4.467 -4.383 -7.975 314 HA HIS 56 HA HIS 56 4.542 -4.497 -4.986 315 1HB HIS 56 1HB HIS 56 2.529 -5.156 -7.077 316 2HB HIS 56 2HB HIS 56 2.490 -6.081 -5.580 317 HD1 HIS 56 HD1 HIS 56 2.716 -2.404 -6.588 318 HD2 HIS 56 HD2 HIS 56 1.058 -4.816 -3.628 319 HE1 HIS 56 HE1 HIS 56 1.357 -0.881 -5.087 320 H ARG 57 H ARG 57 5.241 -6.304 -3.934 321 HA ARG 57 HA ARG 57 6.137 -8.590 -5.622 322 1HB ARG 57 1HB ARG 57 7.362 -9.297 -3.508 323 2HB ARG 57 2HB ARG 57 7.933 -7.803 -4.245 324 1HG ARG 57 1HG ARG 57 5.933 -6.950 -2.490 325 2HG ARG 57 2HG ARG 57 6.756 -8.235 -1.609 326 1HD ARG 57 1HD ARG 57 7.925 -6.182 -1.133 327 2HD ARG 57 2HD ARG 57 8.944 -7.131 -2.211 328 HE ARG 57 HE ARG 57 7.162 -5.117 -3.451 329 1HH1 ARG 57 1HH2 ARG 57 9.375 -3.766 -1.961 330 2HH1 ARG 57 2HH2 ARG 57 10.625 -3.687 -3.157 331 1HH2 ARG 57 1HH1 ARG 57 9.164 -6.060 -5.223 332 2HH2 ARG 57 2HH1 ARG 57 10.507 -4.987 -5.006 333 H TYR 58 H TYR 58 4.201 -9.727 -5.883 334 HA TYR 58 HA TYR 58 2.633 -10.391 -3.448 335 1HB TYR 58 1HB TYR 58 2.127 -10.784 -6.410 336 2HB TYR 58 2HB TYR 58 1.039 -11.385 -5.160 337 HD1 TYR 58 HD1 TYR 58 1.052 -9.376 -3.133 338 HD2 TYR 58 HD2 TYR 58 1.101 -8.921 -7.399 339 HE1 TYR 58 HE1 TYR 58 -0.022 -7.159 -2.905 340 HE2 TYR 58 HE2 TYR 58 0.026 -6.700 -7.172 341 HH TYR 58 HH TYR 58 -0.842 -5.427 -3.953 342 H VAL 59 H VAL 59 3.113 -12.247 -2.390 343 HA VAL 59 HA VAL 59 4.370 -14.450 -3.972 344 HB VAL 59 HB VAL 59 5.958 -13.544 -2.398 345 1HG1 VAL 59 1HG1 VAL 59 3.713 -13.897 -0.396 346 2HG1 VAL 59 2HG1 VAL 59 5.393 -13.642 0.079 347 3HG1 VAL 59 3HG1 VAL 59 4.537 -12.402 -0.838 348 1HG2 VAL 59 1HG2 VAL 59 5.538 -16.118 -2.640 349 2HG2 VAL 59 2HG2 VAL 59 6.588 -15.541 -1.347 350 3HG2 VAL 59 3HG2 VAL 59 4.921 -15.994 -0.992 351 H LEU 60 H LEU 60 1.883 -13.672 -1.568 352 HA LEU 60 HA LEU 60 1.250 -16.545 -1.262 353 1HB LEU 60 1HB LEU 60 0.979 -14.343 0.410 354 2HB LEU 60 2HB LEU 60 -0.672 -14.648 -0.131 355 HG LEU 60 HG LEU 60 0.664 -17.141 0.491 356 1HD1 LEU 60 1HD1 LEU 60 1.566 -15.067 2.104 357 2HD1 LEU 60 2HD1 LEU 60 0.235 -15.755 3.034 358 3HD1 LEU 60 3HD1 LEU 60 1.578 -16.779 2.529 359 1HD2 LEU 60 1HD2 LEU 60 -1.868 -16.221 0.432 360 2HD2 LEU 60 2HD2 LEU 60 -1.399 -17.619 1.399 361 3HD2 LEU 60 3HD2 LEU 60 -1.547 -16.033 2.155 362 HA PRO 61 HA PRO 61 -1.761 -16.433 -4.463 363 1HB PRO 61 1HB PRO 61 -3.092 -18.737 -3.762 364 2HB PRO 61 2HB PRO 61 -1.522 -18.720 -4.583 365 1HG PRO 61 1HG PRO 61 -2.141 -19.333 -1.731 366 2HG PRO 61 2HG PRO 61 -0.791 -19.893 -2.731 367 1HD PRO 61 1HD PRO 61 -0.664 -17.844 -0.792 368 2HD PRO 61 2HD PRO 61 0.558 -18.171 -2.039 369 H GLY 62 H GLY 62 -3.710 -15.398 -4.618 370 1HA GLY 62 1HA GLY 62 -6.107 -15.632 -3.491 371 2HA GLY 62 2HA GLY 62 -5.243 -14.925 -2.124 372 H ARG 63 H ARG 63 -5.993 -12.830 -2.056 373 HA ARG 63 HA ARG 63 -5.666 -11.234 -4.560 374 1HB ARG 63 1HB ARG 63 -7.645 -9.954 -4.012 375 2HB ARG 63 2HB ARG 63 -8.076 -11.665 -3.986 376 1HG ARG 63 1HG ARG 63 -8.940 -11.200 -1.937 377 2HG ARG 63 2HG ARG 63 -7.262 -11.266 -1.396 378 1HD ARG 63 1HD ARG 63 -7.019 -8.889 -1.568 379 2HD ARG 63 2HD ARG 63 -8.548 -8.731 -2.433 380 HE ARG 63 HE ARG 63 -8.476 -9.675 0.399 381 1HH1 ARG 63 1HH2 ARG 63 -8.666 -6.749 -1.041 382 2HH1 ARG 63 2HH2 ARG 63 -10.289 -6.375 -0.566 383 1HH2 ARG 63 1HH1 ARG 63 -10.983 -9.582 0.558 384 2HH2 ARG 63 2HH1 ARG 63 -11.601 -7.979 0.339 385 H TYR 64 H TYR 64 -5.365 -8.871 -4.084 386 HA TYR 64 HA TYR 64 -4.244 -8.305 -1.385 387 1HB TYR 64 1HB TYR 64 -2.787 -8.048 -4.022 388 2HB TYR 64 2HB TYR 64 -2.312 -7.128 -2.600 389 HD1 TYR 64 HD1 TYR 64 -1.651 -8.372 -0.486 390 HD2 TYR 64 HD2 TYR 64 -2.194 -10.329 -4.276 391 HE1 TYR 64 HE1 TYR 64 -0.331 -10.313 0.321 392 HE2 TYR 64 HE2 TYR 64 -0.867 -12.262 -3.469 393 HH TYR 64 HH TYR 64 0.746 -12.190 -0.316 394 H HIS 65 H HIS 65 -4.197 -6.017 -0.925 395 HA HIS 65 HA HIS 65 -5.833 -4.387 -2.829 396 1HB HIS 65 1HB HIS 65 -6.930 -4.757 -0.641 397 2HB HIS 65 2HB HIS 65 -5.529 -4.056 0.171 398 HD1 HIS 65 HD1 HIS 65 -8.085 -3.075 -2.482 399 HD2 HIS 65 HD2 HIS 65 -5.677 -1.297 0.418 400 HE1 HIS 65 HE1 HIS 65 -8.672 -0.612 -2.477 401 H VAL 66 H VAL 66 -4.829 -2.607 -3.671 402 HA VAL 66 HA VAL 66 -2.212 -1.824 -2.459 403 HB VAL 66 HB VAL 66 -3.149 -1.603 -5.332 404 1HG1 VAL 66 1HG1 VAL 66 -0.504 -0.942 -3.982 405 2HG1 VAL 66 2HG1 VAL 66 -0.752 -0.996 -5.732 406 3HG1 VAL 66 3HG1 VAL 66 -1.607 0.201 -4.759 407 1HG2 VAL 66 1HG2 VAL 66 -1.471 -3.561 -3.811 408 2HG2 VAL 66 2HG2 VAL 66 -2.700 -3.860 -5.040 409 3HG2 VAL 66 3HG2 VAL 66 -1.115 -3.247 -5.510 410 H THR 67 H THR 67 -1.705 0.395 -2.354 411 HA THR 67 HA THR 67 -3.765 2.373 -3.117 412 HB THR 67 HB THR 67 -4.269 3.111 -1.001 413 HG1 THR 67 HG1 THR 67 -2.756 3.487 0.438 414 1HG2 THR 67 1HG2 THR 67 -4.830 0.703 -0.980 415 2HG2 THR 67 2HG2 THR 67 -3.231 0.343 -0.327 416 3HG2 THR 67 3HG2 THR 67 -4.384 1.277 0.627 417 H ALA 68 H ALA 68 -2.808 4.581 -3.188 418 HA ALA 68 HA ALA 68 0.114 4.708 -2.718 419 1HB ALA 68 1HB ALA 68 -0.717 3.978 -5.218 420 2HB ALA 68 2HB ALA 68 -0.614 5.733 -5.390 421 3HB ALA 68 3HB ALA 68 0.801 4.807 -4.879 422 H VAL 69 H VAL 69 0.985 6.855 -2.885 423 HA VAL 69 HA VAL 69 -1.032 9.055 -2.841 424 HB VAL 69 HB VAL 69 1.381 9.340 -1.124 425 1HG1 VAL 69 1HG1 VAL 69 -1.353 10.376 -1.370 426 2HG1 VAL 69 2HG1 VAL 69 -0.892 10.029 0.296 427 3HG1 VAL 69 3HG1 VAL 69 0.079 11.136 -0.675 428 1HG2 VAL 69 1HG2 VAL 69 -0.783 7.313 -0.637 429 2HG2 VAL 69 2HG2 VAL 69 0.946 7.201 -0.304 430 3HG2 VAL 69 3HG2 VAL 69 -0.090 8.181 0.733 431 H LEU 70 H LEU 70 -0.427 10.624 -4.308 432 HA LEU 70 HA LEU 70 2.217 10.324 -5.597 433 1HB LEU 70 1HB LEU 70 -0.077 12.222 -6.167 434 2HB LEU 70 2HB LEU 70 1.414 12.154 -7.091 435 HG LEU 70 HG LEU 70 -0.705 10.867 -7.941 436 1HD1 LEU 70 1HD1 LEU 70 1.905 10.762 -8.510 437 2HD1 LEU 70 2HD1 LEU 70 1.669 9.105 -7.952 438 3HD1 LEU 70 3HD1 LEU 70 0.706 9.729 -9.292 439 1HD2 LEU 70 1HD2 LEU 70 -1.044 9.661 -5.774 440 2HD2 LEU 70 2HD2 LEU 70 -0.882 8.583 -7.160 441 3HD2 LEU 70 3HD2 LEU 70 0.476 8.811 -6.058 442 H ALA 71 H ALA 71 3.886 11.877 -5.426 443 HA ALA 71 HA ALA 71 3.238 14.230 -3.713 444 1HB ALA 71 1HB ALA 71 5.706 12.506 -3.497 445 2HB ALA 71 2HB ALA 71 5.487 14.071 -2.707 446 3HB ALA 71 3HB ALA 71 4.445 12.712 -2.279 447 H LEU 72 H LEU 72 3.419 15.870 -4.999 448 HA LEU 72 HA LEU 72 5.594 15.972 -7.041 449 1HB LEU 72 1HB LEU 72 3.015 17.512 -6.701 450 2HB LEU 72 2HB LEU 72 4.225 17.910 -7.920 451 HG LEU 72 HG LEU 72 3.985 15.345 -8.542 452 1HD1 LEU 72 1HD1 LEU 72 2.269 15.294 -6.485 453 2HD1 LEU 72 2HD1 LEU 72 1.144 15.807 -7.740 454 3HD1 LEU 72 3HD1 LEU 72 2.029 14.291 -7.913 455 1HD2 LEU 72 1HD2 LEU 72 2.923 17.783 -9.492 456 2HD2 LEU 72 2HD2 LEU 72 3.088 16.275 -10.393 457 3HD2 LEU 72 3HD2 LEU 72 1.588 16.631 -9.535 458 H GLY 73 H GLY 73 4.667 17.106 -4.002 459 1HA GLY 73 1HA GLY 73 6.303 18.429 -2.698 460 2HA GLY 73 2HA GLY 73 6.624 19.358 -4.169 461 H ALA 74 H ALA 74 4.153 19.886 -5.141 462 HA ALA 74 HA ALA 74 2.821 21.399 -2.933 463 1HB ALA 74 1HB ALA 74 3.241 22.104 -5.842 464 2HB ALA 74 2HB ALA 74 2.094 22.958 -4.811 465 3HB ALA 74 3HB ALA 74 3.815 22.986 -4.427 466 H GLY 75 H GLY 75 2.444 18.848 -5.087 467 1HA GLY 75 1HA GLY 75 -0.508 18.963 -4.743 468 2HA GLY 75 2HA GLY 75 0.147 18.680 -6.357 469 H SER 76 H SER 76 -1.503 16.782 -5.081 470 HA SER 76 HA SER 76 0.351 14.470 -4.994 471 1HB SER 76 1HB SER 76 -0.140 13.802 -2.822 472 2HB SER 76 2HB SER 76 -0.176 15.549 -2.617 473 HG SER 76 HG SER 76 -2.043 14.169 -1.858 474 H ALA 77 H ALA 77 -1.192 12.431 -4.536 475 HA ALA 77 HA ALA 77 -3.879 12.740 -5.688 476 1HB ALA 77 1HB ALA 77 -1.747 12.241 -7.425 477 2HB ALA 77 2HB ALA 77 -2.448 10.648 -7.138 478 3HB ALA 77 3HB ALA 77 -3.454 11.954 -7.765 479 H LEU 78 H LEU 78 -4.997 10.529 -5.690 480 HA LEU 78 HA LEU 78 -3.829 8.833 -3.518 481 1HB LEU 78 1HB LEU 78 -6.770 9.275 -4.095 482 2HB LEU 78 2HB LEU 78 -6.079 8.400 -2.728 483 HG LEU 78 HG LEU 78 -5.128 11.190 -3.094 484 1HD1 LEU 78 1HD1 LEU 78 -7.935 10.527 -2.157 485 2HD1 LEU 78 2HD1 LEU 78 -7.157 12.099 -1.980 486 3HD1 LEU 78 3HD1 LEU 78 -7.511 11.467 -3.588 487 1HD2 LEU 78 1HD2 LEU 78 -5.933 9.375 -0.814 488 2HD2 LEU 78 2HD2 LEU 78 -4.330 10.007 -1.187 489 3HD2 LEU 78 3HD2 LEU 78 -5.580 11.085 -0.563 490 H LEU 79 H LEU 79 -3.607 6.697 -3.955 491 HA LEU 79 HA LEU 79 -4.861 5.674 -6.459 492 1HB LEU 79 1HB LEU 79 -2.156 5.809 -5.722 493 2HB LEU 79 2HB LEU 79 -2.604 4.124 -5.492 494 HG LEU 79 HG LEU 79 -1.844 5.234 -7.877 495 1HD1 LEU 79 1HD1 LEU 79 -3.581 2.844 -7.240 496 2HD1 LEU 79 2HD1 LEU 79 -2.940 3.145 -8.855 497 3HD1 LEU 79 3HD1 LEU 79 -1.836 2.873 -7.507 498 1HD2 LEU 79 1HD2 LEU 79 -4.028 6.512 -7.876 499 2HD2 LEU 79 2HD2 LEU 79 -3.788 5.471 -9.282 500 3HD2 LEU 79 3HD2 LEU 79 -4.856 4.956 -7.974 501 H GLY 80 H GLY 80 -5.464 3.425 -6.432 502 1HA GLY 80 1HA GLY 80 -5.440 1.879 -4.005 503 2HA GLY 80 2HA GLY 80 -7.017 2.617 -4.266 504 H THR 81 H THR 81 -4.793 0.170 -5.385 505 HA THR 81 HA THR 81 -6.849 -0.704 -7.385 506 HB THR 81 HB THR 81 -5.203 -1.306 -8.854 507 HG1 THR 81 HG1 THR 81 -3.889 -2.755 -8.151 508 1HG2 THR 81 1HG2 THR 81 -4.728 1.079 -8.146 509 2HG2 THR 81 2HG2 THR 81 -3.455 0.436 -7.107 510 3HG2 THR 81 3HG2 THR 81 -3.359 0.222 -8.856 511 H ASP 82 H ASP 82 -6.209 -3.261 -7.809 512 HA ASP 82 HA ASP 82 -5.787 -4.678 -5.257 513 1HB ASP 82 1HB ASP 82 -7.900 -5.647 -5.101 514 2HB ASP 82 2HB ASP 82 -8.320 -4.040 -5.693 515 H VAL 83 H VAL 83 -5.295 -6.986 -5.672 516 HA VAL 83 HA VAL 83 -5.044 -7.665 -8.558 517 HB VAL 83 HB VAL 83 -2.798 -7.453 -8.480 518 1HG1 VAL 83 1HG1 VAL 83 -3.480 -6.274 -6.016 519 2HG1 VAL 83 2HG1 VAL 83 -2.208 -7.441 -5.635 520 3HG1 VAL 83 3HG1 VAL 83 -1.926 -6.176 -6.835 521 1HG2 VAL 83 1HG2 VAL 83 -2.960 -9.875 -7.987 522 2HG2 VAL 83 2HG2 VAL 83 -1.535 -9.154 -7.238 523 3HG2 VAL 83 3HG2 VAL 83 -2.963 -9.505 -6.261 524 H GLN 84 H GLN 84 -4.938 -9.962 -8.962 525 HA GLN 84 HA GLN 84 -5.788 -11.629 -6.629 526 1HB GLN 84 1HB GLN 84 -7.565 -11.085 -8.442 527 2HB GLN 84 2HB GLN 84 -6.645 -12.191 -9.465 528 1HG GLN 84 1HG GLN 84 -7.217 -14.039 -8.226 529 2HG GLN 84 2HG GLN 84 -7.279 -13.133 -6.714 530 1HE2 GLN 84 2HE2 GLN 84 -9.415 -14.678 -6.857 531 2HE2 GLN 84 1HE2 GLN 84 -10.799 -13.870 -7.414 532 H VAL 85 H VAL 85 -3.820 -12.633 -6.221 533 HA VAL 85 HA VAL 85 -2.212 -13.666 -8.453 534 HB VAL 85 HB VAL 85 -1.871 -13.658 -5.451 535 1HG1 VAL 85 1HG1 VAL 85 -0.530 -15.290 -7.534 536 2HG1 VAL 85 2HG1 VAL 85 0.541 -14.464 -6.402 537 3HG1 VAL 85 3HG1 VAL 85 -0.684 -15.580 -5.801 538 1HG2 VAL 85 1HG2 VAL 85 -0.943 -12.080 -7.774 539 2HG2 VAL 85 2HG2 VAL 85 -1.118 -11.600 -6.085 540 3HG2 VAL 85 3HG2 VAL 85 0.315 -12.487 -6.606 541 H GLU 86 H GLU 86 -2.089 -15.797 -9.062 542 HA GLU 86 HA GLU 86 -3.909 -17.696 -7.632 543 1HB GLU 86 1HB GLU 86 -2.935 -18.070 -10.457 544 2HB GLU 86 2HB GLU 86 -4.385 -18.723 -9.693 545 1HG GLU 86 1HG GLU 86 -4.066 -15.744 -9.987 546 2HG GLU 86 2HG GLU 86 -4.617 -16.709 -11.355 547 H ALA 87 H ALA 87 -3.143 -19.909 -7.414 548 HA ALA 87 HA ALA 87 -0.173 -20.046 -7.278 549 1HB ALA 87 1HB ALA 87 -2.186 -20.858 -5.513 550 2HB ALA 87 2HB ALA 87 -1.592 -22.358 -6.225 551 3HB ALA 87 3HB ALA 87 -0.474 -21.268 -5.406 Start of MODEL 16 1 H ALA 8 H ALA 8 -5.219 9.599 -8.584 2 HA ALA 8 HA ALA 8 -4.661 10.433 -11.362 3 1HB ALA 8 1HB ALA 8 -3.155 8.755 -9.340 4 2HB ALA 8 2HB ALA 8 -2.572 9.052 -10.978 5 3HB ALA 8 3HB ALA 8 -2.779 10.398 -9.857 6 H THR 9 H THR 9 -3.658 8.407 -12.669 7 HA THR 9 HA THR 9 -5.916 6.529 -12.924 8 HB THR 9 HB THR 9 -4.368 7.782 -14.796 9 HG1 THR 9 HG1 THR 9 -6.103 6.930 -15.623 10 1HG2 THR 9 1HG2 THR 9 -2.435 6.327 -14.173 11 2HG2 THR 9 2HG2 THR 9 -3.391 4.923 -14.642 12 3HG2 THR 9 3HG2 THR 9 -2.940 6.127 -15.849 13 H LEU 10 H LEU 10 -5.732 4.370 -12.565 14 HA LEU 10 HA LEU 10 -3.400 3.506 -10.952 15 1HB LEU 10 1HB LEU 10 -6.158 2.318 -11.415 16 2HB LEU 10 2HB LEU 10 -4.919 1.557 -10.422 17 HG LEU 10 HG LEU 10 -4.879 3.527 -8.949 18 1HD1 LEU 10 1HD1 LEU 10 -6.929 4.554 -10.917 19 2HD1 LEU 10 2HD1 LEU 10 -6.836 5.175 -9.269 20 3HD1 LEU 10 3HD1 LEU 10 -5.460 5.354 -10.357 21 1HD2 LEU 10 1HD2 LEU 10 -6.540 1.591 -8.683 22 2HD2 LEU 10 2HD2 LEU 10 -6.934 3.086 -7.835 23 3HD2 LEU 10 3HD2 LEU 10 -7.752 2.687 -9.345 24 H VAL 11 H VAL 11 -1.826 2.882 -12.516 25 HA VAL 11 HA VAL 11 -2.747 0.825 -14.484 26 HB VAL 11 HB VAL 11 -0.237 2.529 -14.549 27 1HG1 VAL 11 1HG1 VAL 11 -1.194 0.183 -16.041 28 2HG1 VAL 11 2HG1 VAL 11 -0.799 1.547 -17.087 29 3HG1 VAL 11 3HG1 VAL 11 0.418 0.895 -15.990 30 1HG2 VAL 11 1HG2 VAL 11 -3.010 2.946 -15.451 31 2HG2 VAL 11 2HG2 VAL 11 -1.711 4.118 -15.234 32 3HG2 VAL 11 3HG2 VAL 11 -1.810 3.177 -16.723 33 H GLY 12 H GLY 12 -2.291 -1.213 -13.809 34 1HA GLY 12 1HA GLY 12 0.270 -1.647 -12.317 35 2HA GLY 12 2HA GLY 12 -1.219 -2.482 -11.871 36 HA PRO 13 HA PRO 13 0.011 -4.221 -16.186 37 1HB PRO 13 1HB PRO 13 2.384 -3.320 -17.232 38 2HB PRO 13 2HB PRO 13 0.817 -2.553 -17.542 39 1HG PRO 13 1HG PRO 13 3.019 -1.674 -15.713 40 2HG PRO 13 2HG PRO 13 1.852 -0.691 -16.619 41 1HD PRO 13 1HD PRO 13 1.667 -1.260 -13.888 42 2HD PRO 13 2HD PRO 13 0.316 -0.742 -14.911 43 H HIS 14 H HIS 14 1.188 -6.060 -16.651 44 HA HIS 14 HA HIS 14 3.721 -6.882 -16.087 45 1HB HIS 14 1HB HIS 14 2.992 -6.335 -13.621 46 2HB HIS 14 2HB HIS 14 2.172 -7.889 -13.729 47 HD1 HIS 14 HD1 HIS 14 5.630 -6.408 -14.313 48 HD2 HIS 14 HD2 HIS 14 3.855 -10.070 -13.416 49 HE1 HIS 14 HE1 HIS 14 7.524 -8.048 -13.943 50 H GLY 15 H GLY 15 0.369 -7.828 -15.783 51 1HA GLY 15 1HA GLY 15 -0.454 -9.505 -17.448 52 2HA GLY 15 2HA GLY 15 1.046 -10.393 -17.167 53 HA PRO 16 HA PRO 16 -1.798 -12.417 -14.302 54 1HB PRO 16 1HB PRO 16 -0.466 -14.820 -14.400 55 2HB PRO 16 2HB PRO 16 -1.687 -14.330 -15.588 56 1HG PRO 16 1HG PRO 16 1.280 -14.439 -15.882 57 2HG PRO 16 2HG PRO 16 0.024 -14.581 -17.123 58 1HD PRO 16 1HD PRO 16 1.578 -12.274 -16.596 59 2HD PRO 16 2HD PRO 16 0.104 -12.336 -17.587 60 H LEU 17 H LEU 17 -1.448 -13.028 -12.075 61 HA LEU 17 HA LEU 17 1.341 -12.556 -11.108 62 1HB LEU 17 1HB LEU 17 -1.312 -11.741 -9.914 63 2HB LEU 17 2HB LEU 17 0.174 -11.780 -8.966 64 HG LEU 17 HG LEU 17 -0.109 -10.241 -11.560 65 1HD1 LEU 17 1HD1 LEU 17 -0.700 -9.510 -8.713 66 2HD1 LEU 17 2HD1 LEU 17 -0.010 -8.287 -9.780 67 3HD1 LEU 17 3HD1 LEU 17 -1.550 -9.043 -10.185 68 1HD2 LEU 17 1HD2 LEU 17 2.193 -10.888 -10.871 69 2HD2 LEU 17 2HD2 LEU 17 1.952 -9.145 -10.788 70 3HD2 LEU 17 3HD2 LEU 17 1.930 -10.108 -9.311 71 H ALA 18 H ALA 18 1.999 -14.685 -10.829 72 HA ALA 18 HA ALA 18 0.207 -16.558 -9.400 73 1HB ALA 18 1HB ALA 18 2.390 -16.810 -11.269 74 2HB ALA 18 2HB ALA 18 2.774 -17.705 -9.799 75 3HB ALA 18 3HB ALA 18 1.293 -18.062 -10.687 76 H SER 19 H SER 19 1.380 -17.857 -7.586 77 HA SER 19 HA SER 19 2.016 -16.148 -5.447 78 1HB SER 19 1HB SER 19 1.441 -18.420 -4.963 79 2HB SER 19 2HB SER 19 2.759 -19.035 -5.958 80 HG SER 19 HG SER 19 3.529 -17.273 -3.989 81 H GLY 20 H GLY 20 3.729 -14.832 -5.175 82 1HA GLY 20 1HA GLY 20 6.044 -14.290 -4.973 83 2HA GLY 20 2HA GLY 20 6.442 -15.781 -5.828 84 H GLN 21 H GLN 21 4.333 -13.044 -6.717 85 HA GLN 21 HA GLN 21 5.939 -12.802 -9.234 86 1HB GLN 21 1HB GLN 21 3.131 -13.137 -8.815 87 2HB GLN 21 2HB GLN 21 3.399 -11.541 -9.509 88 1HG GLN 21 1HG GLN 21 4.562 -14.108 -10.624 89 2HG GLN 21 2HG GLN 21 3.121 -13.307 -11.249 90 1HE2 GLN 21 2HE2 GLN 21 5.739 -13.705 -12.645 91 2HE2 GLN 21 1HE2 GLN 21 6.283 -12.148 -13.045 92 H LEU 22 H LEU 22 6.563 -10.759 -9.904 93 HA LEU 22 HA LEU 22 6.166 -8.551 -7.935 94 1HB LEU 22 1HB LEU 22 8.526 -9.409 -8.511 95 2HB LEU 22 2HB LEU 22 8.280 -8.696 -10.100 96 HG LEU 22 HG LEU 22 9.501 -7.211 -8.460 97 1HD1 LEU 22 1HD1 LEU 22 7.909 -6.466 -10.441 98 2HD1 LEU 22 2HD1 LEU 22 6.899 -5.876 -9.123 99 3HD1 LEU 22 3HD1 LEU 22 8.542 -5.271 -9.311 100 1HD2 LEU 22 1HD2 LEU 22 7.419 -8.005 -6.757 101 2HD2 LEU 22 2HD2 LEU 22 8.648 -6.788 -6.422 102 3HD2 LEU 22 3HD2 LEU 22 7.098 -6.307 -7.109 103 H ALA 23 H ALA 23 4.189 -7.730 -8.800 104 HA ALA 23 HA ALA 23 3.916 -7.217 -11.662 105 1HB ALA 23 1HB ALA 23 2.258 -6.905 -9.248 106 2HB ALA 23 2HB ALA 23 2.052 -5.600 -10.418 107 3HB ALA 23 3HB ALA 23 1.770 -7.272 -10.903 108 H ALA 24 H ALA 24 3.868 -4.993 -12.610 109 HA ALA 24 HA ALA 24 5.456 -3.100 -10.913 110 1HB ALA 24 1HB ALA 24 5.590 -3.607 -13.893 111 2HB ALA 24 2HB ALA 24 6.365 -2.234 -13.101 112 3HB ALA 24 3HB ALA 24 6.860 -3.881 -12.697 113 H PHE 25 H PHE 25 4.167 -1.490 -10.296 114 HA PHE 25 HA PHE 25 1.802 -0.789 -11.940 115 1HB PHE 25 1HB PHE 25 2.624 -0.110 -9.110 116 2HB PHE 25 2HB PHE 25 1.165 0.502 -9.880 117 HD1 PHE 25 HD1 PHE 25 2.863 -2.877 -9.605 118 HD2 PHE 25 HD2 PHE 25 -0.750 -0.566 -9.229 119 HE1 PHE 25 HE1 PHE 25 1.619 -4.903 -8.913 120 HE2 PHE 25 HE2 PHE 25 -1.977 -2.600 -8.544 121 HZ PHE 25 HZ PHE 25 -0.796 -4.771 -8.387 122 H HIS 26 H HIS 26 1.180 1.591 -11.741 123 HA HIS 26 HA HIS 26 3.177 3.609 -11.455 124 1HB HIS 26 1HB HIS 26 3.893 4.050 -13.575 125 2HB HIS 26 2HB HIS 26 3.537 2.347 -13.826 126 HD1 HIS 26 HD1 HIS 26 2.326 2.040 -15.963 127 HD2 HIS 26 HD2 HIS 26 1.215 5.583 -14.097 128 HE1 HIS 26 HE1 HIS 26 0.631 3.147 -17.481 129 H ILE 27 H ILE 27 2.168 5.586 -11.235 130 HA ILE 27 HA ILE 27 -0.802 5.570 -11.560 131 HB ILE 27 HB ILE 27 0.699 7.584 -9.900 132 1HG1 ILE 27 1HG1 ILE 27 1.648 5.396 -9.290 133 2HG1 ILE 27 2HG1 ILE 27 0.599 5.995 -8.002 134 1HG2 ILE 27 1HG2 ILE 27 -2.043 6.437 -10.095 135 2HG2 ILE 27 2HG2 ILE 27 -1.454 6.798 -8.465 136 3HG2 ILE 27 3HG2 ILE 27 -1.532 8.075 -9.684 137 1HD1 ILE 27 1HD1 ILE 27 -1.239 4.673 -9.446 138 2HD1 ILE 27 2HD1 ILE 27 0.179 3.724 -9.878 139 3HD1 ILE 27 3HD1 ILE 27 -0.290 3.886 -8.187 140 H ALA 28 H ALA 28 -1.820 7.427 -12.561 141 HA ALA 28 HA ALA 28 0.132 9.272 -13.922 142 1HB ALA 28 1HB ALA 28 -0.976 7.308 -15.304 143 2HB ALA 28 2HB ALA 28 -2.348 8.418 -15.349 144 3HB ALA 28 3HB ALA 28 -0.787 8.914 -16.010 145 H ALA 29 H ALA 29 -0.360 11.384 -13.589 146 HA ALA 29 HA ALA 29 -2.911 12.532 -13.976 147 1HB ALA 29 1HB ALA 29 -2.499 11.463 -11.280 148 2HB ALA 29 2HB ALA 29 -2.914 13.176 -11.286 149 3HB ALA 29 3HB ALA 29 -3.984 12.007 -12.059 150 HA PRO 30 HA PRO 30 -0.119 15.890 -12.169 151 1HB PRO 30 1HB PRO 30 1.885 15.186 -10.424 152 2HB PRO 30 2HB PRO 30 0.229 15.542 -9.905 153 1HG PRO 30 1HG PRO 30 1.604 12.906 -10.108 154 2HG PRO 30 2HG PRO 30 0.254 13.389 -9.069 155 1HD PRO 30 1HD PRO 30 0.064 11.873 -11.457 156 2HD PRO 30 2HD PRO 30 -1.281 12.618 -10.569 157 H LEU 31 H LEU 31 0.464 15.076 -14.507 158 HA LEU 31 HA LEU 31 2.317 13.786 -15.728 159 1HB LEU 31 1HB LEU 31 1.628 16.571 -15.963 160 2HB LEU 31 2HB LEU 31 3.323 16.331 -16.389 161 HG LEU 31 HG LEU 31 1.795 16.045 -18.339 162 1HD1 LEU 31 1HD1 LEU 31 3.556 13.868 -17.291 163 2HD1 LEU 31 2HD1 LEU 31 2.604 13.534 -18.737 164 3HD1 LEU 31 3HD1 LEU 31 3.749 14.875 -18.727 165 1HD2 LEU 31 1HD2 LEU 31 -0.132 15.121 -17.090 166 2HD2 LEU 31 2HD2 LEU 31 0.345 14.047 -18.405 167 3HD2 LEU 31 3HD2 LEU 31 0.795 13.660 -16.745 168 HA PRO 32 HA PRO 32 6.383 15.484 -14.055 169 1HB PRO 32 1HB PRO 32 6.371 17.687 -12.415 170 2HB PRO 32 2HB PRO 32 6.446 17.788 -14.182 171 1HG PRO 32 1HG PRO 32 4.149 18.354 -12.365 172 2HG PRO 32 2HG PRO 32 4.491 19.004 -13.977 173 1HD PRO 32 1HD PRO 32 2.633 16.955 -13.370 174 2HD PRO 32 2HD PRO 32 3.219 17.398 -14.986 175 H VAL 33 H VAL 33 6.288 13.554 -12.684 176 HA VAL 33 HA VAL 33 5.627 14.139 -9.819 177 HB VAL 33 HB VAL 33 5.613 11.378 -11.051 178 1HG1 VAL 33 1HG1 VAL 33 5.684 12.014 -8.471 179 2HG1 VAL 33 2HG1 VAL 33 3.962 12.295 -8.723 180 3HG1 VAL 33 3HG1 VAL 33 4.653 10.704 -9.046 181 1HG2 VAL 33 1HG2 VAL 33 3.353 13.374 -10.778 182 2HG2 VAL 33 2HG2 VAL 33 3.962 12.662 -12.275 183 3HG2 VAL 33 3HG2 VAL 33 3.116 11.655 -11.100 184 H THR 34 H THR 34 7.112 13.454 -8.258 185 HA THR 34 HA THR 34 9.723 12.513 -9.345 186 HB THR 34 HB THR 34 9.756 14.791 -8.332 187 HG1 THR 34 HG1 THR 34 11.555 14.376 -7.094 188 1HG2 THR 34 1HG2 THR 34 7.969 14.419 -6.674 189 2HG2 THR 34 2HG2 THR 34 9.009 13.288 -5.808 190 3HG2 THR 34 3HG2 THR 34 9.445 14.994 -5.897 191 H ALA 35 H ALA 35 7.154 11.748 -7.189 192 HA ALA 35 HA ALA 35 8.171 9.126 -6.686 193 1HB ALA 35 1HB ALA 35 8.736 11.280 -4.700 194 2HB ALA 35 2HB ALA 35 8.350 9.667 -4.100 195 3HB ALA 35 3HB ALA 35 9.736 9.903 -5.166 196 H THR 36 H THR 36 6.676 7.847 -5.488 197 HA THR 36 HA THR 36 4.222 9.215 -4.499 198 HB THR 36 HB THR 36 3.058 8.503 -6.307 199 HG1 THR 36 HG1 THR 36 2.288 6.947 -5.011 200 1HG2 THR 36 1HG2 THR 36 5.530 6.913 -6.870 201 2HG2 THR 36 2HG2 THR 36 4.048 6.553 -7.754 202 3HG2 THR 36 3HG2 THR 36 4.758 8.164 -7.843 203 H ARG 37 H ARG 37 3.453 8.229 -2.633 204 HA ARG 37 HA ARG 37 5.052 5.953 -1.626 205 1HB ARG 37 1HB ARG 37 4.038 8.217 -0.387 206 2HB ARG 37 2HB ARG 37 2.922 6.949 0.121 207 1HG ARG 37 1HG ARG 37 4.585 5.726 1.197 208 2HG ARG 37 2HG ARG 37 5.873 6.415 0.209 209 1HD ARG 37 1HD ARG 37 6.100 7.420 2.363 210 2HD ARG 37 2HD ARG 37 5.358 8.647 1.336 211 HE ARG 37 HE ARG 37 3.560 6.936 2.964 212 1HH1 ARG 37 1HH1 ARG 37 5.515 9.407 3.835 213 2HH1 ARG 37 2HH1 ARG 37 4.271 10.566 4.166 214 1HH2 ARG 37 1HH2 ARG 37 1.749 8.663 2.736 215 2HH2 ARG 37 2HH2 ARG 37 2.138 10.144 3.546 216 H TRP 38 H TRP 38 4.292 3.964 -2.122 217 HA TRP 38 HA TRP 38 1.373 3.589 -2.593 218 1HB TRP 38 1HB TRP 38 3.642 1.644 -3.010 219 2HB TRP 38 2HB TRP 38 1.971 1.416 -3.500 220 HD1 TRP 38 HD1 TRP 38 4.547 4.260 -4.028 221 HE1 TRP 38 HE1 TRP 38 4.498 4.895 -6.523 222 HE3 TRP 38 HE3 TRP 38 1.000 0.993 -5.686 223 HZ2 TRP 38 HZ2 TRP 38 3.153 4.102 -8.914 224 HZ3 TRP 38 HZ3 TRP 38 0.352 0.958 -8.072 225 HH2 TRP 38 HH2 TRP 38 1.425 2.500 -9.686 226 H ASP 39 H ASP 39 0.769 1.220 -1.890 227 HA ASP 39 HA ASP 39 1.924 0.432 0.676 228 1HB ASP 39 1HB ASP 39 -0.547 1.970 0.506 229 2HB ASP 39 2HB ASP 39 -0.833 0.383 1.221 230 H PHE 40 H PHE 40 2.364 -1.604 -0.107 231 HA PHE 40 HA PHE 40 0.459 -2.906 -1.899 232 1HB PHE 40 1HB PHE 40 2.806 -4.251 -0.562 233 2HB PHE 40 2HB PHE 40 2.002 -4.693 -2.064 234 HD1 PHE 40 HD1 PHE 40 1.844 -1.488 -2.740 235 HD2 PHE 40 HD2 PHE 40 4.940 -4.351 -1.890 236 HE1 PHE 40 HE1 PHE 40 3.464 -0.140 -4.045 237 HE2 PHE 40 HE2 PHE 40 6.547 -2.997 -3.195 238 HZ PHE 40 HZ PHE 40 5.813 -0.895 -4.273 239 H GLY 41 H GLY 41 1.787 -3.920 1.273 240 1HA GLY 41 1HA GLY 41 0.439 -4.710 3.108 241 2HA GLY 41 2HA GLY 41 -0.928 -4.872 2.003 242 H ASP 42 H ASP 42 2.019 -6.073 0.743 243 HA ASP 42 HA ASP 42 1.081 -8.854 1.197 244 1HB ASP 42 1HB ASP 42 2.946 -9.256 -0.630 245 2HB ASP 42 2HB ASP 42 1.372 -8.643 -1.113 246 H GLY 43 H GLY 43 4.367 -8.350 0.336 247 1HA GLY 43 1HA GLY 43 5.205 -9.325 2.976 248 2HA GLY 43 2HA GLY 43 6.250 -9.129 1.563 249 H SER 44 H SER 44 4.827 -6.363 1.259 250 HA SER 44 HA SER 44 6.232 -4.933 3.464 251 1HB SER 44 1HB SER 44 7.397 -3.512 1.994 252 2HB SER 44 2HB SER 44 7.546 -5.084 1.217 253 HG SER 44 HG SER 44 5.674 -4.489 -0.028 254 H ALA 45 H ALA 45 4.936 -3.378 4.338 255 HA ALA 45 HA ALA 45 2.304 -2.905 3.160 256 1HB ALA 45 1HB ALA 45 3.670 -2.040 5.693 257 2HB ALA 45 2HB ALA 45 2.135 -1.324 5.204 258 3HB ALA 45 3HB ALA 45 2.244 -3.058 5.505 259 H GLU 46 H GLU 46 4.151 -0.351 4.641 260 HA GLU 46 HA GLU 46 3.362 1.678 2.844 261 1HB GLU 46 1HB GLU 46 5.064 3.050 3.871 262 2HB GLU 46 2HB GLU 46 4.388 2.011 5.124 263 1HG GLU 46 1HG GLU 46 6.441 0.472 4.065 264 2HG GLU 46 2HG GLU 46 7.112 2.104 4.062 265 H VAL 47 H VAL 47 4.486 2.717 1.111 266 HA VAL 47 HA VAL 47 6.795 1.210 -0.033 267 HB VAL 47 HB VAL 47 4.295 2.042 -1.533 268 1HG1 VAL 47 1HG1 VAL 47 6.408 2.213 -2.837 269 2HG1 VAL 47 2HG1 VAL 47 6.741 0.520 -2.473 270 3HG1 VAL 47 3HG1 VAL 47 5.334 0.955 -3.443 271 1HG2 VAL 47 1HG2 VAL 47 4.592 -0.146 0.072 272 2HG2 VAL 47 2HG2 VAL 47 3.560 -0.102 -1.354 273 3HG2 VAL 47 3HG2 VAL 47 5.187 -0.774 -1.462 274 H ASP 48 H ASP 48 8.327 2.534 -0.890 275 HA ASP 48 HA ASP 48 7.622 5.417 -1.296 276 1HB ASP 48 1HB ASP 48 10.395 4.326 -0.750 277 2HB ASP 48 2HB ASP 48 9.850 6.001 -0.647 278 H ALA 49 H ALA 49 7.049 5.089 -3.503 279 HA ALA 49 HA ALA 49 9.036 3.804 -5.277 280 1HB ALA 49 1HB ALA 49 6.332 3.733 -5.260 281 2HB ALA 49 2HB ALA 49 6.600 5.028 -6.426 282 3HB ALA 49 3HB ALA 49 7.304 3.432 -6.698 283 H ALA 50 H ALA 50 9.874 4.840 -7.150 284 HA ALA 50 HA ALA 50 10.349 7.730 -6.786 285 1HB ALA 50 1HB ALA 50 12.258 6.244 -7.308 286 2HB ALA 50 2HB ALA 50 11.475 5.777 -8.819 287 3HB ALA 50 3HB ALA 50 12.015 7.439 -8.583 288 H GLY 51 H GLY 51 9.862 9.277 -8.438 289 1HA GLY 51 1HA GLY 51 8.347 10.254 -9.953 290 2HA GLY 51 2HA GLY 51 8.736 8.854 -10.960 291 HA PRO 52 HA PRO 52 4.379 8.239 -9.761 292 1HB PRO 52 1HB PRO 52 3.421 8.052 -12.322 293 2HB PRO 52 2HB PRO 52 3.582 9.593 -11.462 294 1HG PRO 52 1HG PRO 52 5.207 8.531 -13.704 295 2HG PRO 52 2HG PRO 52 5.004 10.204 -13.164 296 1HD PRO 52 1HD PRO 52 7.233 8.464 -12.622 297 2HD PRO 52 2HD PRO 52 6.974 10.109 -12.000 298 H ALA 53 H ALA 53 6.557 6.180 -9.909 299 HA ALA 53 HA ALA 53 4.872 3.987 -11.017 300 1HB ALA 53 1HB ALA 53 7.056 5.015 -12.419 301 2HB ALA 53 2HB ALA 53 7.661 3.536 -11.672 302 3HB ALA 53 3HB ALA 53 6.242 3.479 -12.719 303 H ALA 54 H ALA 54 5.204 1.968 -10.089 304 HA ALA 54 HA ALA 54 7.371 1.526 -8.147 305 1HB ALA 54 1HB ALA 54 5.457 2.702 -6.900 306 2HB ALA 54 2HB ALA 54 4.508 1.250 -7.203 307 3HB ALA 54 3HB ALA 54 5.979 1.155 -6.235 308 H SER 55 H SER 55 6.455 -0.779 -6.980 309 HA SER 55 HA SER 55 5.235 -2.477 -9.053 310 1HB SER 55 1HB SER 55 7.555 -3.890 -8.206 311 2HB SER 55 2HB SER 55 7.131 -3.360 -9.832 312 HG SER 55 HG SER 55 9.129 -2.518 -8.478 313 H HIS 56 H HIS 56 4.333 -4.363 -8.160 314 HA HIS 56 HA HIS 56 4.324 -4.403 -5.180 315 1HB HIS 56 1HB HIS 56 2.361 -5.111 -7.298 316 2HB HIS 56 2HB HIS 56 2.308 -6.033 -5.796 317 HD1 HIS 56 HD1 HIS 56 2.448 -2.360 -6.854 318 HD2 HIS 56 HD2 HIS 56 0.935 -4.755 -3.804 319 HE1 HIS 56 HE1 HIS 56 1.123 -0.829 -5.321 320 H ARG 57 H ARG 57 4.955 -6.172 -4.054 321 HA ARG 57 HA ARG 57 5.973 -8.500 -5.626 322 1HB ARG 57 1HB ARG 57 7.326 -8.978 -3.531 323 2HB ARG 57 2HB ARG 57 7.770 -7.494 -4.372 324 1HG ARG 57 1HG ARG 57 5.712 -6.784 -2.561 325 2HG ARG 57 2HG ARG 57 6.817 -7.824 -1.668 326 1HD ARG 57 1HD ARG 57 7.539 -5.485 -1.498 327 2HD ARG 57 2HD ARG 57 8.722 -6.424 -2.407 328 HE ARG 57 HE ARG 57 6.738 -5.117 -4.105 329 1HH1 ARG 57 1HH1 ARG 57 8.906 -3.763 -1.983 330 2HH1 ARG 57 2HH1 ARG 57 9.885 -2.984 -3.178 331 1HH2 ARG 57 1HH2 ARG 57 8.346 -4.561 -5.855 332 2HH2 ARG 57 2HH2 ARG 57 9.570 -3.435 -5.370 333 H TYR 58 H TYR 58 3.930 -9.563 -5.714 334 HA TYR 58 HA TYR 58 2.608 -10.197 -3.145 335 1HB TYR 58 1HB TYR 58 1.875 -10.657 -6.046 336 2HB TYR 58 2HB TYR 58 0.917 -11.302 -4.712 337 HD1 TYR 58 HD1 TYR 58 0.793 -9.443 -2.695 338 HD2 TYR 58 HD2 TYR 58 0.953 -8.691 -6.912 339 HE1 TYR 58 HE1 TYR 58 -0.325 -7.268 -2.341 340 HE2 TYR 58 HE2 TYR 58 -0.168 -6.507 -6.560 341 HH TYR 58 HH TYR 58 -0.969 -5.392 -3.267 342 H VAL 59 H VAL 59 3.246 -11.965 -2.044 343 HA VAL 59 HA VAL 59 4.555 -14.167 -3.568 344 HB VAL 59 HB VAL 59 4.670 -13.489 -0.618 345 1HG1 VAL 59 1HG1 VAL 59 5.670 -15.779 -2.262 346 2HG1 VAL 59 2HG1 VAL 59 6.702 -15.179 -0.964 347 3HG1 VAL 59 3HG1 VAL 59 5.080 -15.766 -0.600 348 1HG2 VAL 59 1HG2 VAL 59 5.944 -12.247 -2.732 349 2HG2 VAL 59 2HG2 VAL 59 6.539 -12.279 -1.074 350 3HG2 VAL 59 3HG2 VAL 59 7.124 -13.463 -2.242 351 H LEU 60 H LEU 60 1.841 -13.496 -1.386 352 HA LEU 60 HA LEU 60 1.272 -16.410 -1.234 353 1HB LEU 60 1HB LEU 60 0.958 -14.326 0.584 354 2HB LEU 60 2HB LEU 60 -0.682 -14.621 0.005 355 HG LEU 60 HG LEU 60 0.617 -17.145 0.447 356 1HD1 LEU 60 1HD1 LEU 60 1.016 -15.040 2.533 357 2HD1 LEU 60 2HD1 LEU 60 0.592 -16.665 3.070 358 3HD1 LEU 60 3HD1 LEU 60 2.047 -16.406 2.108 359 1HD2 LEU 60 1HD2 LEU 60 -1.835 -16.619 0.446 360 2HD2 LEU 60 2HD2 LEU 60 -1.321 -17.497 1.886 361 3HD2 LEU 60 3HD2 LEU 60 -1.613 -15.761 1.970 362 HA PRO 61 HA PRO 61 -1.774 -16.074 -4.398 363 1HB PRO 61 1HB PRO 61 -3.133 -18.394 -3.827 364 2HB PRO 61 2HB PRO 61 -1.558 -18.358 -4.640 365 1HG PRO 61 1HG PRO 61 -2.200 -19.120 -1.828 366 2HG PRO 61 2HG PRO 61 -0.850 -19.639 -2.851 367 1HD PRO 61 1HD PRO 61 -0.722 -17.696 -0.801 368 2HD PRO 61 2HD PRO 61 0.515 -17.987 -2.044 369 H GLY 62 H GLY 62 -3.566 -14.759 -4.313 370 1HA GLY 62 1HA GLY 62 -6.000 -15.192 -3.132 371 2HA GLY 62 2HA GLY 62 -5.071 -14.472 -1.815 372 H ARG 63 H ARG 63 -6.618 -12.647 -1.968 373 HA ARG 63 HA ARG 63 -6.074 -10.897 -4.327 374 1HB ARG 63 1HB ARG 63 -8.450 -11.134 -2.486 375 2HB ARG 63 2HB ARG 63 -8.196 -9.699 -3.479 376 1HG ARG 63 1HG ARG 63 -8.580 -10.823 -5.452 377 2HG ARG 63 2HG ARG 63 -7.963 -12.351 -4.823 378 1HD ARG 63 1HD ARG 63 -10.332 -12.627 -5.056 379 2HD ARG 63 2HD ARG 63 -10.022 -12.433 -3.331 380 HE ARG 63 HE ARG 63 -11.075 -10.250 -5.086 381 1HH1 ARG 63 1HH2 ARG 63 -12.565 -12.051 -2.978 382 2HH1 ARG 63 2HH2 ARG 63 -12.759 -10.893 -1.704 383 1HH2 ARG 63 1HH1 ARG 63 -10.490 -8.641 -3.049 384 2HH2 ARG 63 2HH1 ARG 63 -11.584 -8.962 -1.745 385 H TYR 64 H TYR 64 -4.882 -9.110 -3.959 386 HA TYR 64 HA TYR 64 -4.499 -8.225 -1.126 387 1HB TYR 64 1HB TYR 64 -2.803 -7.835 -3.603 388 2HB TYR 64 2HB TYR 64 -2.480 -7.048 -2.065 389 HD1 TYR 64 HD1 TYR 64 -2.711 -10.337 -3.772 390 HD2 TYR 64 HD2 TYR 64 -1.436 -8.211 -0.262 391 HE1 TYR 64 HE1 TYR 64 -1.400 -12.311 -3.049 392 HE2 TYR 64 HE2 TYR 64 -0.137 -10.189 0.465 393 HH TYR 64 HH TYR 64 0.555 -12.218 -0.063 394 H HIS 65 H HIS 65 -4.412 -5.888 -0.771 395 HA HIS 65 HA HIS 65 -6.013 -4.367 -2.789 396 1HB HIS 65 1HB HIS 65 -7.172 -4.639 -0.629 397 2HB HIS 65 2HB HIS 65 -5.788 -3.930 0.206 398 HD1 HIS 65 HD1 HIS 65 -8.589 -3.045 -2.160 399 HD2 HIS 65 HD2 HIS 65 -5.599 -1.119 0.013 400 HE1 HIS 65 HE1 HIS 65 -9.078 -0.564 -2.313 401 H VAL 66 H VAL 66 -4.941 -2.700 -3.752 402 HA VAL 66 HA VAL 66 -2.336 -1.861 -2.564 403 HB VAL 66 HB VAL 66 -3.373 -1.583 -5.396 404 1HG1 VAL 66 1HG1 VAL 66 -0.732 -0.856 -4.100 405 2HG1 VAL 66 2HG1 VAL 66 -0.965 -0.972 -5.847 406 3HG1 VAL 66 3HG1 VAL 66 -1.861 0.230 -4.917 407 1HG2 VAL 66 1HG2 VAL 66 -1.594 -3.542 -3.993 408 2HG2 VAL 66 2HG2 VAL 66 -2.875 -3.846 -5.167 409 3HG2 VAL 66 3HG2 VAL 66 -1.327 -3.189 -5.700 410 H THR 67 H THR 67 -1.825 0.350 -2.429 411 HA THR 67 HA THR 67 -3.878 2.350 -3.132 412 HB THR 67 HB THR 67 -4.299 3.137 -0.996 413 HG1 THR 67 HG1 THR 67 -2.502 3.619 -0.035 414 1HG2 THR 67 1HG2 THR 67 -5.076 0.783 -1.092 415 2HG2 THR 67 2HG2 THR 67 -3.542 0.266 -0.393 416 3HG2 THR 67 3HG2 THR 67 -4.645 1.273 0.546 417 H ALA 68 H ALA 68 -2.906 4.540 -3.164 418 HA ALA 68 HA ALA 68 0.007 4.662 -2.684 419 1HB ALA 68 1HB ALA 68 -0.809 3.919 -5.202 420 2HB ALA 68 2HB ALA 68 -0.666 5.671 -5.374 421 3HB ALA 68 3HB ALA 68 0.720 4.716 -4.839 422 H VAL 69 H VAL 69 0.858 6.866 -3.109 423 HA VAL 69 HA VAL 69 -1.188 9.001 -3.135 424 HB VAL 69 HB VAL 69 -0.676 8.430 -0.718 425 1HG1 VAL 69 1HG1 VAL 69 1.822 7.995 -1.394 426 2HG1 VAL 69 2HG1 VAL 69 1.995 9.733 -1.153 427 3HG1 VAL 69 3HG1 VAL 69 1.460 8.707 0.178 428 1HG2 VAL 69 1HG2 VAL 69 -1.130 10.823 -1.869 429 2HG2 VAL 69 2HG2 VAL 69 -0.873 10.644 -0.133 430 3HG2 VAL 69 3HG2 VAL 69 0.458 11.145 -1.174 431 H LEU 70 H LEU 70 -0.473 10.635 -4.442 432 HA LEU 70 HA LEU 70 2.226 10.345 -5.596 433 1HB LEU 70 1HB LEU 70 -0.043 12.266 -6.188 434 2HB LEU 70 2HB LEU 70 1.499 12.280 -7.031 435 HG LEU 70 HG LEU 70 -0.693 10.890 -7.865 436 1HD1 LEU 70 1HD1 LEU 70 1.887 11.322 -8.652 437 2HD1 LEU 70 2HD1 LEU 70 1.838 9.563 -8.511 438 3HD1 LEU 70 3HD1 LEU 70 0.692 10.398 -9.562 439 1HD2 LEU 70 1HD2 LEU 70 1.064 8.956 -6.326 440 2HD2 LEU 70 2HD2 LEU 70 -0.638 9.304 -6.016 441 3HD2 LEU 70 3HD2 LEU 70 -0.163 8.483 -7.501 442 H ALA 71 H ALA 71 3.918 11.833 -5.249 443 HA ALA 71 HA ALA 71 3.222 14.135 -3.487 444 1HB ALA 71 1HB ALA 71 5.643 12.361 -3.198 445 2HB ALA 71 2HB ALA 71 5.383 13.887 -2.348 446 3HB ALA 71 3HB ALA 71 4.304 12.518 -2.057 447 H LEU 72 H LEU 72 3.477 15.779 -4.742 448 HA LEU 72 HA LEU 72 5.826 15.943 -6.573 449 1HB LEU 72 1HB LEU 72 3.073 16.595 -6.837 450 2HB LEU 72 2HB LEU 72 3.975 18.106 -6.858 451 HG LEU 72 HG LEU 72 4.382 15.703 -8.664 452 1HD1 LEU 72 1HD1 LEU 72 3.021 18.287 -8.863 453 2HD1 LEU 72 2HD1 LEU 72 4.204 18.052 -10.149 454 3HD1 LEU 72 3HD1 LEU 72 2.909 16.877 -9.918 455 1HD2 LEU 72 1HD2 LEU 72 6.257 17.753 -7.775 456 2HD2 LEU 72 2HD2 LEU 72 6.557 16.324 -8.761 457 3HD2 LEU 72 3HD2 LEU 72 6.013 17.821 -9.518 458 H GLY 73 H GLY 73 4.624 16.990 -3.614 459 1HA GLY 73 1HA GLY 73 6.000 18.356 -2.116 460 2HA GLY 73 2HA GLY 73 6.588 19.236 -3.534 461 H ALA 74 H ALA 74 4.300 19.784 -4.904 462 HA ALA 74 HA ALA 74 2.718 21.438 -2.982 463 1HB ALA 74 1HB ALA 74 4.156 22.709 -4.619 464 2HB ALA 74 2HB ALA 74 3.199 21.997 -5.919 465 3HB ALA 74 3HB ALA 74 2.434 23.069 -4.748 466 H GLY 75 H GLY 75 2.568 18.772 -5.015 467 1HA GLY 75 1HA GLY 75 -0.397 18.936 -5.061 468 2HA GLY 75 2HA GLY 75 0.444 18.601 -6.576 469 H SER 76 H SER 76 -1.391 16.801 -5.223 470 HA SER 76 HA SER 76 0.404 14.452 -5.027 471 1HB SER 76 1HB SER 76 -0.242 13.838 -2.849 472 2HB SER 76 2HB SER 76 -0.023 15.580 -2.713 473 HG SER 76 HG SER 76 -2.028 14.720 -1.832 474 H ALA 77 H ALA 77 -1.181 12.463 -4.545 475 HA ALA 77 HA ALA 77 -3.871 12.785 -5.672 476 1HB ALA 77 1HB ALA 77 -1.793 12.289 -7.457 477 2HB ALA 77 2HB ALA 77 -2.449 10.684 -7.134 478 3HB ALA 77 3HB ALA 77 -3.501 11.959 -7.749 479 H LEU 78 H LEU 78 -4.940 10.495 -5.744 480 HA LEU 78 HA LEU 78 -3.747 8.821 -3.570 481 1HB LEU 78 1HB LEU 78 -6.566 9.782 -3.965 482 2HB LEU 78 2HB LEU 78 -6.268 8.259 -3.127 483 HG LEU 78 HG LEU 78 -4.416 10.111 -2.065 484 1HD1 LEU 78 1HD1 LEU 78 -6.421 11.614 -3.154 485 2HD1 LEU 78 2HD1 LEU 78 -7.060 11.320 -1.536 486 3HD1 LEU 78 3HD1 LEU 78 -5.487 12.094 -1.737 487 1HD2 LEU 78 1HD2 LEU 78 -6.614 8.394 -1.216 488 2HD2 LEU 78 2HD2 LEU 78 -5.122 8.798 -0.366 489 3HD2 LEU 78 3HD2 LEU 78 -6.524 9.861 -0.243 490 H LEU 79 H LEU 79 -3.650 6.658 -3.964 491 HA LEU 79 HA LEU 79 -4.907 5.684 -6.482 492 1HB LEU 79 1HB LEU 79 -2.201 5.770 -5.748 493 2HB LEU 79 2HB LEU 79 -2.674 4.090 -5.530 494 HG LEU 79 HG LEU 79 -1.898 5.208 -7.904 495 1HD1 LEU 79 1HD1 LEU 79 -3.633 2.829 -7.249 496 2HD1 LEU 79 2HD1 LEU 79 -3.076 3.142 -8.892 497 3HD1 LEU 79 3HD1 LEU 79 -1.903 2.854 -7.605 498 1HD2 LEU 79 1HD2 LEU 79 -4.038 6.530 -7.929 499 2HD2 LEU 79 2HD2 LEU 79 -3.855 5.451 -9.314 500 3HD2 LEU 79 3HD2 LEU 79 -4.918 5.000 -7.978 501 H GLY 80 H GLY 80 -5.520 3.413 -6.464 502 1HA GLY 80 1HA GLY 80 -5.527 1.885 -4.024 503 2HA GLY 80 2HA GLY 80 -7.096 2.635 -4.299 504 H THR 81 H THR 81 -4.883 0.159 -5.400 505 HA THR 81 HA THR 81 -6.933 -0.703 -7.411 506 HB THR 81 HB THR 81 -5.271 -1.344 -8.850 507 HG1 THR 81 HG1 THR 81 -3.952 -2.778 -8.125 508 1HG2 THR 81 1HG2 THR 81 -4.795 1.043 -8.186 509 2HG2 THR 81 2HG2 THR 81 -3.569 0.425 -7.080 510 3HG2 THR 81 3HG2 THR 81 -3.398 0.169 -8.818 511 H ASP 82 H ASP 82 -6.288 -3.290 -7.809 512 HA ASP 82 HA ASP 82 -5.988 -4.681 -5.220 513 1HB ASP 82 1HB ASP 82 -8.540 -4.043 -6.027 514 2HB ASP 82 2HB ASP 82 -8.325 -5.639 -6.748 515 H VAL 83 H VAL 83 -5.343 -6.913 -5.556 516 HA VAL 83 HA VAL 83 -5.054 -7.691 -8.425 517 HB VAL 83 HB VAL 83 -2.813 -7.512 -8.272 518 1HG1 VAL 83 1HG1 VAL 83 -3.567 -6.210 -5.911 519 2HG1 VAL 83 2HG1 VAL 83 -2.363 -7.398 -5.395 520 3HG1 VAL 83 3HG1 VAL 83 -1.963 -6.209 -6.635 521 1HG2 VAL 83 1HG2 VAL 83 -3.106 -9.501 -6.011 522 2HG2 VAL 83 2HG2 VAL 83 -2.977 -9.904 -7.725 523 3HG2 VAL 83 3HG2 VAL 83 -1.612 -9.166 -6.886 524 H GLN 84 H GLN 84 -4.970 -9.989 -8.782 525 HA GLN 84 HA GLN 84 -5.918 -11.609 -6.451 526 1HB GLN 84 1HB GLN 84 -7.662 -11.108 -8.247 527 2HB GLN 84 2HB GLN 84 -6.685 -12.088 -9.340 528 1HG GLN 84 1HG GLN 84 -6.863 -13.999 -7.778 529 2HG GLN 84 2HG GLN 84 -7.866 -13.020 -6.707 530 1HE2 GLN 84 2HE2 GLN 84 -7.917 -15.059 -9.492 531 2HE2 GLN 84 1HE2 GLN 84 -9.540 -14.805 -9.917 532 H VAL 85 H VAL 85 -3.765 -12.340 -6.043 533 HA VAL 85 HA VAL 85 -2.196 -13.569 -8.173 534 HB VAL 85 HB VAL 85 -1.833 -13.530 -5.163 535 1HG1 VAL 85 1HG1 VAL 85 -0.699 -15.451 -6.357 536 2HG1 VAL 85 2HG1 VAL 85 0.186 -14.256 -7.304 537 3HG1 VAL 85 3HG1 VAL 85 0.411 -14.337 -5.557 538 1HG2 VAL 85 1HG2 VAL 85 -1.241 -11.678 -7.368 539 2HG2 VAL 85 2HG2 VAL 85 -1.315 -11.371 -5.632 540 3HG2 VAL 85 3HG2 VAL 85 0.156 -12.029 -6.350 541 H GLU 86 H GLU 86 -1.881 -15.782 -8.517 542 HA GLU 86 HA GLU 86 -3.760 -17.584 -7.036 543 1HB GLU 86 1HB GLU 86 -2.663 -18.239 -9.754 544 2HB GLU 86 2HB GLU 86 -4.176 -18.758 -9.010 545 1HG GLU 86 1HG GLU 86 -4.830 -16.250 -9.078 546 2HG GLU 86 2HG GLU 86 -3.506 -16.083 -10.232 547 H ALA 87 H ALA 87 -2.929 -19.976 -7.198 548 HA ALA 87 HA ALA 87 0.043 -20.024 -6.898 549 1HB ALA 87 1HB ALA 87 -2.021 -20.635 -4.897 550 2HB ALA 87 2HB ALA 87 -0.831 -21.921 -5.097 551 3HB ALA 87 3HB ALA 87 -0.305 -20.291 -4.673 Start of MODEL 17 1 H ALA 8 H ALA 8 -3.975 9.973 -8.239 2 HA ALA 8 HA ALA 8 -3.894 10.529 -11.128 3 1HB ALA 8 1HB ALA 8 -2.148 8.918 -9.247 4 2HB ALA 8 2HB ALA 8 -1.897 8.927 -10.994 5 3HB ALA 8 3HB ALA 8 -1.752 10.423 -10.075 6 H THR 9 H THR 9 -4.015 8.808 -12.725 7 HA THR 9 HA THR 9 -6.181 6.991 -12.184 8 HB THR 9 HB THR 9 -5.369 8.082 -14.446 9 HG1 THR 9 HG1 THR 9 -6.195 5.777 -15.277 10 1HG2 THR 9 1HG2 THR 9 -3.177 6.667 -14.167 11 2HG2 THR 9 2HG2 THR 9 -4.170 5.360 -14.810 12 3HG2 THR 9 3HG2 THR 9 -3.916 6.823 -15.761 13 H LEU 10 H LEU 10 -6.131 4.764 -12.085 14 HA LEU 10 HA LEU 10 -3.730 3.641 -10.815 15 1HB LEU 10 1HB LEU 10 -6.507 2.532 -11.334 16 2HB LEU 10 2HB LEU 10 -5.250 1.678 -10.444 17 HG LEU 10 HG LEU 10 -5.163 3.603 -8.839 18 1HD1 LEU 10 1HD1 LEU 10 -7.476 4.536 -10.550 19 2HD1 LEU 10 2HD1 LEU 10 -7.269 5.074 -8.883 20 3HD1 LEU 10 3HD1 LEU 10 -6.035 5.440 -10.087 21 1HD2 LEU 10 1HD2 LEU 10 -6.538 1.537 -8.466 22 2HD2 LEU 10 2HD2 LEU 10 -7.178 2.964 -7.653 23 3HD2 LEU 10 3HD2 LEU 10 -7.921 2.391 -9.146 24 H VAL 11 H VAL 11 -2.170 2.871 -12.242 25 HA VAL 11 HA VAL 11 -3.181 1.122 -14.452 26 HB VAL 11 HB VAL 11 -0.578 2.537 -14.744 27 1HG1 VAL 11 1HG1 VAL 11 -2.760 1.389 -16.458 28 2HG1 VAL 11 2HG1 VAL 11 -1.738 2.656 -17.135 29 3HG1 VAL 11 3HG1 VAL 11 -1.016 1.150 -16.565 30 1HG2 VAL 11 1HG2 VAL 11 -3.288 3.816 -14.716 31 2HG2 VAL 11 2HG2 VAL 11 -1.729 4.493 -14.243 32 3HG2 VAL 11 3HG2 VAL 11 -2.143 4.336 -15.952 33 H GLY 12 H GLY 12 -2.734 -0.894 -13.575 34 1HA GLY 12 1HA GLY 12 0.029 -1.287 -12.491 35 2HA GLY 12 2HA GLY 12 -1.371 -2.191 -11.919 36 HA PRO 13 HA PRO 13 -0.284 -3.765 -16.347 37 1HB PRO 13 1HB PRO 13 2.238 -3.103 -17.212 38 2HB PRO 13 2HB PRO 13 0.778 -2.174 -17.595 39 1HG PRO 13 1HG PRO 13 2.940 -1.553 -15.623 40 2HG PRO 13 2HG PRO 13 1.910 -0.445 -16.546 41 1HD PRO 13 1HD PRO 13 1.536 -1.089 -13.846 42 2HD PRO 13 2HD PRO 13 0.296 -0.402 -14.911 43 H HIS 14 H HIS 14 0.585 -5.738 -16.746 44 HA HIS 14 HA HIS 14 2.975 -6.939 -16.067 45 1HB HIS 14 1HB HIS 14 2.258 -6.342 -13.656 46 2HB HIS 14 2HB HIS 14 1.011 -7.570 -13.857 47 HD1 HIS 14 HD1 HIS 14 4.761 -7.404 -14.585 48 HD2 HIS 14 HD2 HIS 14 1.926 -9.989 -12.954 49 HE1 HIS 14 HE1 HIS 14 6.004 -9.510 -13.925 50 H GLY 15 H GLY 15 2.669 -9.426 -15.912 51 1HA GLY 15 1HA GLY 15 0.437 -10.163 -17.716 52 2HA GLY 15 2HA GLY 15 1.848 -11.163 -17.361 53 HA PRO 16 HA PRO 16 -1.099 -13.105 -14.610 54 1HB PRO 16 1HB PRO 16 0.414 -15.367 -14.256 55 2HB PRO 16 2HB PRO 16 -0.626 -15.102 -15.666 56 1HG PRO 16 1HG PRO 16 2.347 -14.968 -15.480 57 2HG PRO 16 2HG PRO 16 1.326 -15.315 -16.885 58 1HD PRO 16 1HD PRO 16 2.598 -12.841 -16.313 59 2HD PRO 16 2HD PRO 16 1.346 -13.121 -17.544 60 H LEU 17 H LEU 17 -1.063 -13.457 -12.298 61 HA LEU 17 HA LEU 17 1.509 -12.703 -10.977 62 1HB LEU 17 1HB LEU 17 -1.329 -11.886 -10.395 63 2HB LEU 17 2HB LEU 17 -0.113 -11.874 -9.118 64 HG LEU 17 HG LEU 17 0.113 -10.412 -11.765 65 1HD1 LEU 17 1HD1 LEU 17 -1.551 -9.596 -9.941 66 2HD1 LEU 17 2HD1 LEU 17 -0.105 -9.175 -9.024 67 3HD1 LEU 17 3HD1 LEU 17 -0.401 -8.431 -10.596 68 1HD2 LEU 17 1HD2 LEU 17 1.910 -10.594 -9.329 69 2HD2 LEU 17 2HD2 LEU 17 2.310 -11.032 -10.990 70 3HD2 LEU 17 3HD2 LEU 17 2.078 -9.339 -10.556 71 H ALA 18 H ALA 18 2.067 -14.931 -10.675 72 HA ALA 18 HA ALA 18 0.189 -16.614 -9.131 73 1HB ALA 18 1HB ALA 18 2.163 -17.174 -11.026 74 2HB ALA 18 2HB ALA 18 2.883 -17.683 -9.498 75 3HB ALA 18 3HB ALA 18 1.336 -18.357 -10.011 76 H SER 19 H SER 19 1.157 -17.738 -7.148 77 HA SER 19 HA SER 19 1.868 -15.875 -5.176 78 1HB SER 19 1HB SER 19 1.178 -17.926 -4.305 79 2HB SER 19 2HB SER 19 2.195 -18.851 -5.406 80 HG SER 19 HG SER 19 3.441 -17.094 -3.627 81 H GLY 20 H GLY 20 3.658 -14.642 -5.033 82 1HA GLY 20 1HA GLY 20 6.022 -14.299 -4.777 83 2HA GLY 20 2HA GLY 20 6.306 -15.868 -5.533 84 H GLN 21 H GLN 21 4.416 -13.045 -6.629 85 HA GLN 21 HA GLN 21 6.120 -13.049 -9.098 86 1HB GLN 21 1HB GLN 21 3.252 -13.222 -8.773 87 2HB GLN 21 2HB GLN 21 3.681 -11.793 -9.710 88 1HG GLN 21 1HG GLN 21 4.533 -14.645 -10.281 89 2HG GLN 21 2HG GLN 21 3.414 -13.668 -11.232 90 1HE2 GLN 21 2HE2 GLN 21 6.409 -14.807 -11.539 91 2HE2 GLN 21 1HE2 GLN 21 7.191 -13.495 -12.280 92 H LEU 22 H LEU 22 6.461 -10.989 -10.125 93 HA LEU 22 HA LEU 22 6.256 -8.668 -8.253 94 1HB LEU 22 1HB LEU 22 8.565 -9.610 -8.973 95 2HB LEU 22 2HB LEU 22 8.206 -8.906 -10.546 96 HG LEU 22 HG LEU 22 9.548 -7.398 -9.045 97 1HD1 LEU 22 1HD1 LEU 22 7.651 -6.688 -10.818 98 2HD1 LEU 22 2HD1 LEU 22 6.924 -6.018 -9.355 99 3HD1 LEU 22 3HD1 LEU 22 8.530 -5.499 -9.860 100 1HD2 LEU 22 1HD2 LEU 22 7.692 -8.230 -7.129 101 2HD2 LEU 22 2HD2 LEU 22 8.900 -6.959 -6.933 102 3HD2 LEU 22 3HD2 LEU 22 7.266 -6.549 -7.454 103 H ALA 23 H ALA 23 4.281 -7.782 -9.027 104 HA ALA 23 HA ALA 23 3.894 -7.420 -11.921 105 1HB ALA 23 1HB ALA 23 2.290 -7.020 -9.471 106 2HB ALA 23 2HB ALA 23 2.011 -5.822 -10.737 107 3HB ALA 23 3HB ALA 23 1.775 -7.537 -11.077 108 H ALA 24 H ALA 24 3.643 -5.118 -12.830 109 HA ALA 24 HA ALA 24 5.362 -3.255 -11.225 110 1HB ALA 24 1HB ALA 24 5.345 -3.729 -14.215 111 2HB ALA 24 2HB ALA 24 6.185 -2.383 -13.440 112 3HB ALA 24 3HB ALA 24 6.666 -4.048 -13.084 113 H PHE 25 H PHE 25 4.051 -1.703 -10.490 114 HA PHE 25 HA PHE 25 1.672 -0.899 -12.069 115 1HB PHE 25 1HB PHE 25 2.531 -0.363 -9.223 116 2HB PHE 25 2HB PHE 25 1.077 0.305 -9.949 117 HD1 PHE 25 HD1 PHE 25 2.727 -3.104 -9.833 118 HD2 PHE 25 HD2 PHE 25 -0.846 -0.742 -9.340 119 HE1 PHE 25 HE1 PHE 25 1.445 -5.139 -9.222 120 HE2 PHE 25 HE2 PHE 25 -2.110 -2.789 -8.736 121 HZ PHE 25 HZ PHE 25 -0.965 -4.986 -8.680 122 H HIS 26 H HIS 26 1.066 1.398 -12.020 123 HA HIS 26 HA HIS 26 3.005 3.445 -11.479 124 1HB HIS 26 1HB HIS 26 3.615 4.171 -13.623 125 2HB HIS 26 2HB HIS 26 3.738 2.422 -13.751 126 HD1 HIS 26 HD1 HIS 26 1.186 5.169 -14.485 127 HD2 HIS 26 HD2 HIS 26 2.309 1.396 -15.858 128 HE1 HIS 26 HE1 HIS 26 -0.211 4.708 -16.547 129 H ILE 27 H ILE 27 2.015 5.545 -11.637 130 HA ILE 27 HA ILE 27 -0.964 5.393 -11.881 131 HB ILE 27 HB ILE 27 0.252 7.639 -10.371 132 1HG1 ILE 27 1HG1 ILE 27 1.635 5.503 -9.838 133 2HG1 ILE 27 2HG1 ILE 27 0.927 6.373 -8.480 134 1HG2 ILE 27 1HG2 ILE 27 -1.980 5.655 -9.843 135 2HG2 ILE 27 2HG2 ILE 27 -1.591 7.026 -8.803 136 3HG2 ILE 27 3HG2 ILE 27 -2.173 7.295 -10.452 137 1HD1 ILE 27 1HD1 ILE 27 -1.115 4.760 -8.916 138 2HD1 ILE 27 2HD1 ILE 27 0.100 3.767 -9.699 139 3HD1 ILE 27 3HD1 ILE 27 0.280 4.198 -8.001 140 H ALA 28 H ALA 28 -2.004 7.457 -12.692 141 HA ALA 28 HA ALA 28 -0.081 9.065 -14.339 142 1HB ALA 28 1HB ALA 28 -1.539 7.082 -15.450 143 2HB ALA 28 2HB ALA 28 -2.665 8.430 -15.611 144 3HB ALA 28 3HB ALA 28 -1.052 8.537 -16.321 145 H ALA 29 H ALA 29 -0.369 11.175 -13.933 146 HA ALA 29 HA ALA 29 -2.756 12.587 -14.335 147 1HB ALA 29 1HB ALA 29 -2.514 11.475 -11.609 148 2HB ALA 29 2HB ALA 29 -2.902 13.194 -11.681 149 3HB ALA 29 3HB ALA 29 -3.945 12.020 -12.482 150 HA PRO 30 HA PRO 30 0.249 15.621 -12.350 151 1HB PRO 30 1HB PRO 30 2.022 14.742 -10.440 152 2HB PRO 30 2HB PRO 30 0.384 15.301 -10.062 153 1HG PRO 30 1HG PRO 30 1.446 12.515 -10.124 154 2HG PRO 30 2HG PRO 30 0.104 13.183 -9.183 155 1HD PRO 30 1HD PRO 30 -0.138 11.634 -11.531 156 2HD PRO 30 2HD PRO 30 -1.420 12.603 -10.774 157 H LEU 31 H LEU 31 0.970 14.973 -14.583 158 HA LEU 31 HA LEU 31 2.845 13.261 -15.485 159 1HB LEU 31 1HB LEU 31 2.172 16.017 -16.161 160 2HB LEU 31 2HB LEU 31 3.835 15.606 -16.585 161 HG LEU 31 HG LEU 31 2.889 13.476 -17.634 162 1HD1 LEU 31 1HD1 LEU 31 0.402 14.920 -16.833 163 2HD1 LEU 31 2HD1 LEU 31 0.392 14.092 -18.390 164 3HD1 LEU 31 3HD1 LEU 31 0.719 13.187 -16.912 165 1HD2 LEU 31 1HD2 LEU 31 2.441 16.271 -18.644 166 2HD2 LEU 31 2HD2 LEU 31 3.604 15.064 -19.192 167 3HD2 LEU 31 3HD2 LEU 31 1.899 14.902 -19.614 168 HA PRO 32 HA PRO 32 6.649 15.533 -13.778 169 1HB PRO 32 1HB PRO 32 6.271 17.803 -12.279 170 2HB PRO 32 2HB PRO 32 6.443 17.813 -14.041 171 1HG PRO 32 1HG PRO 32 3.991 18.208 -12.395 172 2HG PRO 32 2HG PRO 32 4.347 18.779 -14.034 173 1HD PRO 32 1HD PRO 32 2.726 16.551 -13.344 174 2HD PRO 32 2HD PRO 32 3.306 16.972 -14.969 175 H VAL 33 H VAL 33 6.090 13.498 -12.384 176 HA VAL 33 HA VAL 33 5.571 14.244 -9.533 177 HB VAL 33 HB VAL 33 5.402 11.611 -11.011 178 1HG1 VAL 33 1HG1 VAL 33 5.310 12.141 -8.024 179 2HG1 VAL 33 2HG1 VAL 33 4.842 10.620 -8.786 180 3HG1 VAL 33 3HG1 VAL 33 6.514 11.172 -8.875 181 1HG2 VAL 33 1HG2 VAL 33 3.567 13.658 -10.220 182 2HG2 VAL 33 2HG2 VAL 33 3.217 12.138 -11.047 183 3HG2 VAL 33 3HG2 VAL 33 3.214 12.206 -9.284 184 H THR 34 H THR 34 7.078 13.594 -7.915 185 HA THR 34 HA THR 34 9.756 12.845 -8.993 186 HB THR 34 HB THR 34 9.583 15.124 -7.947 187 HG1 THR 34 HG1 THR 34 11.472 14.861 -6.842 188 1HG2 THR 34 1HG2 THR 34 7.887 14.400 -6.231 189 2HG2 THR 34 2HG2 THR 34 9.186 13.557 -5.385 190 3HG2 THR 34 3HG2 THR 34 9.241 15.311 -5.563 191 H ALA 35 H ALA 35 7.343 12.119 -6.595 192 HA ALA 35 HA ALA 35 8.529 9.495 -6.170 193 1HB ALA 35 1HB ALA 35 9.007 11.699 -4.293 194 2HB ALA 35 2HB ALA 35 8.331 10.259 -3.530 195 3HB ALA 35 3HB ALA 35 9.838 10.148 -4.441 196 H THR 36 H THR 36 7.041 8.056 -5.333 197 HA THR 36 HA THR 36 4.372 9.173 -4.565 198 HB THR 36 HB THR 36 4.112 8.274 -6.785 199 HG1 THR 36 HG1 THR 36 3.262 6.019 -5.511 200 1HG2 THR 36 1HG2 THR 36 6.243 6.934 -6.692 201 2HG2 THR 36 2HG2 THR 36 5.351 5.713 -5.789 202 3HG2 THR 36 3HG2 THR 36 4.880 6.104 -7.445 203 H ARG 37 H ARG 37 3.132 7.611 -3.206 204 HA ARG 37 HA ARG 37 4.932 5.760 -1.714 205 1HB ARG 37 1HB ARG 37 2.874 7.711 -0.683 206 2HB ARG 37 2HB ARG 37 3.368 6.312 0.271 207 1HG ARG 37 1HG ARG 37 5.417 7.190 0.732 208 2HG ARG 37 2HG ARG 37 5.597 7.870 -0.887 209 1HD ARG 37 1HD ARG 37 5.380 9.586 0.969 210 2HD ARG 37 2HD ARG 37 4.206 9.754 -0.337 211 HE ARG 37 HE ARG 37 2.499 9.204 1.201 212 1HH1 ARG 37 1HH2 ARG 37 4.494 10.272 3.274 213 2HH1 ARG 37 2HH2 ARG 37 4.433 9.013 4.461 214 1HH2 ARG 37 1HH1 ARG 37 2.895 6.734 2.347 215 2HH2 ARG 37 2HH1 ARG 37 3.527 7.009 3.936 216 H TRP 38 H TRP 38 4.243 3.808 -2.527 217 HA TRP 38 HA TRP 38 1.364 3.370 -3.013 218 1HB TRP 38 1HB TRP 38 3.673 1.446 -3.264 219 2HB TRP 38 2HB TRP 38 2.030 1.165 -3.812 220 HD1 TRP 38 HD1 TRP 38 4.820 3.793 -4.427 221 HE1 TRP 38 HE1 TRP 38 4.780 4.351 -6.941 222 HE3 TRP 38 HE3 TRP 38 0.808 1.011 -5.915 223 HZ2 TRP 38 HZ2 TRP 38 3.266 3.743 -9.251 224 HZ3 TRP 38 HZ3 TRP 38 0.072 1.042 -8.281 225 HH2 TRP 38 HH2 TRP 38 1.300 2.413 -9.949 226 H ASP 39 H ASP 39 0.686 1.047 -2.294 227 HA ASP 39 HA ASP 39 1.697 0.321 0.362 228 1HB ASP 39 1HB ASP 39 -0.739 1.845 0.012 229 2HB ASP 39 2HB ASP 39 -1.127 0.241 0.637 230 H PHE 40 H PHE 40 2.250 -1.711 -0.362 231 HA PHE 40 HA PHE 40 0.477 -3.122 -2.210 232 1HB PHE 40 1HB PHE 40 2.826 -4.314 -0.726 233 2HB PHE 40 2HB PHE 40 2.088 -4.877 -2.221 234 HD1 PHE 40 HD1 PHE 40 1.817 -1.681 -3.013 235 HD2 PHE 40 HD2 PHE 40 4.992 -4.427 -2.062 236 HE1 PHE 40 HE1 PHE 40 3.406 -0.321 -4.341 237 HE2 PHE 40 HE2 PHE 40 6.569 -3.059 -3.389 238 HZ PHE 40 HZ PHE 40 5.778 -1.008 -4.529 239 H GLY 41 H GLY 41 1.512 -3.691 1.175 240 1HA GLY 41 1HA GLY 41 0.189 -4.601 2.921 241 2HA GLY 41 2HA GLY 41 -1.152 -4.754 1.785 242 H ASP 42 H ASP 42 1.927 -6.023 0.836 243 HA ASP 42 HA ASP 42 0.869 -8.778 1.221 244 1HB ASP 42 1HB ASP 42 2.794 -9.269 -0.503 245 2HB ASP 42 2HB ASP 42 1.275 -8.594 -1.075 246 H GLY 43 H GLY 43 4.207 -8.404 0.517 247 1HA GLY 43 1HA GLY 43 4.906 -9.310 3.216 248 2HA GLY 43 2HA GLY 43 6.029 -9.111 1.864 249 H SER 44 H SER 44 4.543 -6.375 1.486 250 HA SER 44 HA SER 44 5.762 -4.886 3.749 251 1HB SER 44 1HB SER 44 7.131 -3.570 2.404 252 2HB SER 44 2HB SER 44 7.239 -5.113 1.560 253 HG SER 44 HG SER 44 5.610 -4.385 0.160 254 H ALA 45 H ALA 45 4.391 -3.285 4.425 255 HA ALA 45 HA ALA 45 1.879 -2.898 2.983 256 1HB ALA 45 1HB ALA 45 2.977 -2.130 5.635 257 2HB ALA 45 2HB ALA 45 1.712 -1.098 4.966 258 3HB ALA 45 3HB ALA 45 1.404 -2.815 5.225 259 H GLU 46 H GLU 46 3.635 -0.295 4.493 260 HA GLU 46 HA GLU 46 3.000 1.666 2.563 261 1HB GLU 46 1HB GLU 46 4.940 2.943 3.563 262 2HB GLU 46 2HB GLU 46 3.777 2.344 4.746 263 1HG GLU 46 1HG GLU 46 5.207 0.544 5.387 264 2HG GLU 46 2HG GLU 46 6.258 0.788 3.992 265 H VAL 47 H VAL 47 4.258 2.603 0.864 266 HA VAL 47 HA VAL 47 6.602 0.999 -0.056 267 HB VAL 47 HB VAL 47 4.250 1.844 -1.778 268 1HG1 VAL 47 1HG1 VAL 47 6.700 1.719 -2.703 269 2HG1 VAL 47 2HG1 VAL 47 6.462 -0.024 -2.579 270 3HG1 VAL 47 3HG1 VAL 47 5.395 0.941 -3.597 271 1HG2 VAL 47 1HG2 VAL 47 4.381 -0.308 -0.056 272 2HG2 VAL 47 2HG2 VAL 47 3.383 -0.233 -1.507 273 3HG2 VAL 47 3HG2 VAL 47 4.969 -1.000 -1.566 274 H ASP 48 H ASP 48 8.260 2.346 -0.540 275 HA ASP 48 HA ASP 48 7.638 5.199 -1.170 276 1HB ASP 48 1HB ASP 48 9.765 3.838 0.332 277 2HB ASP 48 2HB ASP 48 10.381 5.017 -0.828 278 H ALA 49 H ALA 49 7.513 5.431 -3.373 279 HA ALA 49 HA ALA 49 9.590 4.022 -5.006 280 1HB ALA 49 1HB ALA 49 6.897 3.576 -5.116 281 2HB ALA 49 2HB ALA 49 7.102 4.801 -6.370 282 3HB ALA 49 3HB ALA 49 8.011 3.292 -6.455 283 H ALA 50 H ALA 50 9.957 5.110 -7.160 284 HA ALA 50 HA ALA 50 10.227 8.028 -6.718 285 1HB ALA 50 1HB ALA 50 11.839 6.024 -7.969 286 2HB ALA 50 2HB ALA 50 11.381 7.205 -9.196 287 3HB ALA 50 3HB ALA 50 12.211 7.733 -7.732 288 H GLY 51 H GLY 51 9.554 9.540 -8.354 289 1HA GLY 51 1HA GLY 51 7.857 10.399 -9.741 290 2HA GLY 51 2HA GLY 51 8.295 9.045 -10.785 291 HA PRO 52 HA PRO 52 4.069 8.070 -9.411 292 1HB PRO 52 1HB PRO 52 3.038 7.847 -11.942 293 2HB PRO 52 2HB PRO 52 3.130 9.388 -11.074 294 1HG PRO 52 1HG PRO 52 4.739 8.454 -13.384 295 2HG PRO 52 2HG PRO 52 4.463 10.106 -12.810 296 1HD PRO 52 1HD PRO 52 6.793 8.469 -12.368 297 2HD PRO 52 2HD PRO 52 6.484 10.103 -11.743 298 H ALA 53 H ALA 53 6.413 6.161 -9.737 299 HA ALA 53 HA ALA 53 4.799 3.909 -10.865 300 1HB ALA 53 1HB ALA 53 7.141 5.057 -12.071 301 2HB ALA 53 2HB ALA 53 7.466 3.386 -11.612 302 3HB ALA 53 3HB ALA 53 6.105 3.761 -12.669 303 H ALA 54 H ALA 54 5.314 1.842 -10.117 304 HA ALA 54 HA ALA 54 7.485 1.220 -8.332 305 1HB ALA 54 1HB ALA 54 6.055 2.635 -6.806 306 2HB ALA 54 2HB ALA 54 4.763 1.456 -7.018 307 3HB ALA 54 3HB ALA 54 6.273 0.978 -6.241 308 H SER 55 H SER 55 7.398 -1.077 -7.772 309 HA SER 55 HA SER 55 5.337 -2.523 -9.381 310 1HB SER 55 1HB SER 55 7.468 -4.248 -8.619 311 2HB SER 55 2HB SER 55 7.013 -3.709 -10.232 312 HG SER 55 HG SER 55 8.897 -2.744 -10.108 313 H HIS 56 H HIS 56 4.610 -4.615 -8.499 314 HA HIS 56 HA HIS 56 4.413 -4.487 -5.523 315 1HB HIS 56 1HB HIS 56 2.540 -5.205 -7.698 316 2HB HIS 56 2HB HIS 56 2.467 -6.223 -6.261 317 HD1 HIS 56 HD1 HIS 56 2.500 -2.495 -7.095 318 HD2 HIS 56 HD2 HIS 56 0.992 -5.113 -4.231 319 HE1 HIS 56 HE1 HIS 56 1.066 -1.106 -5.531 320 H ARG 57 H ARG 57 5.153 -6.176 -4.336 321 HA ARG 57 HA ARG 57 6.120 -8.582 -5.826 322 1HB ARG 57 1HB ARG 57 7.593 -8.924 -3.780 323 2HB ARG 57 2HB ARG 57 7.990 -7.515 -4.760 324 1HG ARG 57 1HG ARG 57 6.031 -6.702 -2.854 325 2HG ARG 57 2HG ARG 57 7.275 -7.603 -1.989 326 1HD ARG 57 1HD ARG 57 7.881 -5.224 -2.109 327 2HD ARG 57 2HD ARG 57 9.017 -6.195 -3.046 328 HE ARG 57 HE ARG 57 6.736 -4.888 -4.447 329 1HH1 ARG 57 1HH1 ARG 57 9.876 -4.237 -3.424 330 2HH1 ARG 57 2HH1 ARG 57 10.484 -3.824 -4.990 331 1HH2 ARG 57 1HH2 ARG 57 7.608 -4.802 -6.661 332 2HH2 ARG 57 2HH2 ARG 57 9.200 -4.143 -6.823 333 H TYR 58 H TYR 58 4.161 -9.744 -5.715 334 HA TYR 58 HA TYR 58 2.942 -10.141 -3.049 335 1HB TYR 58 1HB TYR 58 2.138 -10.856 -5.867 336 2HB TYR 58 2HB TYR 58 1.294 -11.532 -4.470 337 HD1 TYR 58 HD1 TYR 58 1.120 -9.517 -2.527 338 HD2 TYR 58 HD2 TYR 58 0.933 -9.051 -6.788 339 HE1 TYR 58 HE1 TYR 58 -0.138 -7.403 -2.241 340 HE2 TYR 58 HE2 TYR 58 -0.323 -6.937 -6.499 341 HH TYR 58 HH TYR 58 -0.886 -5.556 -3.289 342 H VAL 59 H VAL 59 3.211 -11.989 -1.867 343 HA VAL 59 HA VAL 59 4.773 -14.186 -3.165 344 HB VAL 59 HB VAL 59 4.816 -13.158 -0.321 345 1HG1 VAL 59 1HG1 VAL 59 5.775 -15.738 -1.529 346 2HG1 VAL 59 2HG1 VAL 59 6.670 -15.013 -0.195 347 3HG1 VAL 59 3HG1 VAL 59 4.980 -15.467 0.021 348 1HG2 VAL 59 1HG2 VAL 59 6.177 -11.983 -2.089 349 2HG2 VAL 59 2HG2 VAL 59 7.150 -12.702 -0.806 350 3HG2 VAL 59 3HG2 VAL 59 7.025 -13.503 -2.371 351 H LEU 60 H LEU 60 1.968 -13.431 -1.140 352 HA LEU 60 HA LEU 60 1.472 -16.342 -0.793 353 1HB LEU 60 1HB LEU 60 1.037 -14.158 0.874 354 2HB LEU 60 2HB LEU 60 -0.573 -14.540 0.262 355 HG LEU 60 HG LEU 60 0.758 -16.997 0.883 356 1HD1 LEU 60 1HD1 LEU 60 0.990 -14.808 2.939 357 2HD1 LEU 60 2HD1 LEU 60 0.816 -16.492 3.435 358 3HD1 LEU 60 3HD1 LEU 60 2.197 -16.000 2.454 359 1HD2 LEU 60 1HD2 LEU 60 -1.744 -15.645 1.288 360 2HD2 LEU 60 2HD2 LEU 60 -1.405 -17.373 1.388 361 3HD2 LEU 60 3HD2 LEU 60 -1.227 -16.355 2.818 362 HA PRO 61 HA PRO 61 -1.423 -16.287 -4.108 363 1HB PRO 61 1HB PRO 61 -2.624 -18.689 -3.537 364 2HB PRO 61 2HB PRO 61 -1.023 -18.547 -4.285 365 1HG PRO 61 1HG PRO 61 -1.727 -19.309 -1.491 366 2HG PRO 61 2HG PRO 61 -0.291 -19.728 -2.438 367 1HD PRO 61 1HD PRO 61 -0.440 -17.737 -0.426 368 2HD PRO 61 2HD PRO 61 0.891 -17.962 -1.582 369 H GLY 62 H GLY 62 -3.261 -15.041 -4.083 370 1HA GLY 62 1HA GLY 62 -5.733 -15.658 -3.074 371 2HA GLY 62 2HA GLY 62 -4.941 -14.906 -1.689 372 H ARG 63 H ARG 63 -6.149 -12.995 -1.656 373 HA ARG 63 HA ARG 63 -5.990 -11.307 -4.121 374 1HB ARG 63 1HB ARG 63 -8.274 -11.999 -3.025 375 2HB ARG 63 2HB ARG 63 -7.873 -10.752 -1.843 376 1HG ARG 63 1HG ARG 63 -7.370 -9.320 -4.018 377 2HG ARG 63 2HG ARG 63 -8.478 -10.470 -4.762 378 1HD ARG 63 1HD ARG 63 -9.055 -8.750 -2.331 379 2HD ARG 63 2HD ARG 63 -9.724 -8.525 -3.948 380 HE ARG 63 HE ARG 63 -10.482 -10.660 -2.045 381 1HH1 ARG 63 1HH1 ARG 63 -10.264 -11.760 -4.837 382 2HH1 ARG 63 2HH1 ARG 63 -11.861 -11.495 -5.450 383 1HH2 ARG 63 1HH2 ARG 63 -12.720 -9.223 -2.974 384 2HH2 ARG 63 2HH2 ARG 63 -13.254 -10.058 -4.395 385 H TYR 64 H TYR 64 -5.503 -9.056 -3.819 386 HA TYR 64 HA TYR 64 -4.338 -8.313 -1.178 387 1HB TYR 64 1HB TYR 64 -2.995 -8.256 -3.879 388 2HB TYR 64 2HB TYR 64 -2.469 -7.203 -2.575 389 HD1 TYR 64 HD1 TYR 64 -1.619 -8.222 -0.410 390 HD2 TYR 64 HD2 TYR 64 -2.471 -10.568 -3.915 391 HE1 TYR 64 HE1 TYR 64 -0.238 -10.070 0.486 392 HE2 TYR 64 HE2 TYR 64 -1.090 -12.412 -3.010 393 HH TYR 64 HH TYR 64 0.601 -12.085 0.116 394 H HIS 65 H HIS 65 -3.906 -5.889 -1.149 395 HA HIS 65 HA HIS 65 -5.801 -4.439 -2.955 396 1HB HIS 65 1HB HIS 65 -6.697 -4.686 -0.619 397 2HB HIS 65 2HB HIS 65 -5.286 -3.805 -0.031 398 HD1 HIS 65 HD1 HIS 65 -8.371 -3.349 -2.170 399 HD2 HIS 65 HD2 HIS 65 -5.376 -1.021 -0.440 400 HE1 HIS 65 HE1 HIS 65 -9.076 -0.935 -2.471 401 H VAL 66 H VAL 66 -5.041 -2.405 -3.683 402 HA VAL 66 HA VAL 66 -2.254 -1.721 -2.842 403 HB VAL 66 HB VAL 66 -3.413 -1.463 -5.624 404 1HG1 VAL 66 1HG1 VAL 66 -0.677 -0.979 -4.421 405 2HG1 VAL 66 2HG1 VAL 66 -0.946 -1.144 -6.158 406 3HG1 VAL 66 3HG1 VAL 66 -1.704 0.177 -5.273 407 1HG2 VAL 66 1HG2 VAL 66 -1.673 -3.556 -4.317 408 2HG2 VAL 66 2HG2 VAL 66 -3.155 -3.791 -5.246 409 3HG2 VAL 66 3HG2 VAL 66 -1.668 -3.307 -6.064 410 H THR 67 H THR 67 -1.742 0.482 -2.781 411 HA THR 67 HA THR 67 -3.778 2.481 -3.507 412 HB THR 67 HB THR 67 -4.327 3.193 -1.408 413 HG1 THR 67 HG1 THR 67 -2.756 3.889 -0.239 414 1HG2 THR 67 1HG2 THR 67 -3.160 0.494 -0.672 415 2HG2 THR 67 2HG2 THR 67 -4.316 1.410 0.295 416 3HG2 THR 67 3HG2 THR 67 -4.791 0.780 -1.281 417 H ALA 68 H ALA 68 -2.792 4.713 -3.389 418 HA ALA 68 HA ALA 68 0.152 4.730 -3.069 419 1HB ALA 68 1HB ALA 68 -0.835 4.251 -5.575 420 2HB ALA 68 2HB ALA 68 -0.687 6.010 -5.592 421 3HB ALA 68 3HB ALA 68 0.724 5.005 -5.246 422 H VAL 69 H VAL 69 1.052 6.881 -3.046 423 HA VAL 69 HA VAL 69 -0.840 9.152 -2.939 424 HB VAL 69 HB VAL 69 1.048 9.313 -0.741 425 1HG1 VAL 69 1HG1 VAL 69 -1.789 9.796 -1.348 426 2HG1 VAL 69 2HG1 VAL 69 -1.490 9.307 0.321 427 3HG1 VAL 69 3HG1 VAL 69 -0.679 10.728 -0.342 428 1HG2 VAL 69 1HG2 VAL 69 -0.815 6.929 -0.829 429 2HG2 VAL 69 2HG2 VAL 69 0.922 6.929 -0.531 430 3HG2 VAL 69 3HG2 VAL 69 -0.179 7.588 0.677 431 H LEU 70 H LEU 70 0.187 10.353 -4.548 432 HA LEU 70 HA LEU 70 3.135 10.325 -4.661 433 1HB LEU 70 1HB LEU 70 1.761 12.299 -6.348 434 2HB LEU 70 2HB LEU 70 2.954 11.083 -6.789 435 HG LEU 70 HG LEU 70 -0.026 10.670 -6.423 436 1HD1 LEU 70 1HD1 LEU 70 1.694 11.390 -8.599 437 2HD1 LEU 70 2HD1 LEU 70 1.027 9.787 -8.911 438 3HD1 LEU 70 3HD1 LEU 70 -0.054 11.151 -8.619 439 1HD2 LEU 70 1HD2 LEU 70 2.263 8.739 -6.722 440 2HD2 LEU 70 2HD2 LEU 70 0.827 8.603 -5.708 441 3HD2 LEU 70 3HD2 LEU 70 0.702 8.358 -7.452 442 H ALA 71 H ALA 71 4.451 12.096 -4.171 443 HA ALA 71 HA ALA 71 3.020 14.466 -3.054 444 1HB ALA 71 1HB ALA 71 5.438 13.084 -1.880 445 2HB ALA 71 2HB ALA 71 4.847 14.671 -1.375 446 3HB ALA 71 3HB ALA 71 3.840 13.238 -1.146 447 H LEU 72 H LEU 72 3.496 16.113 -4.280 448 HA LEU 72 HA LEU 72 6.166 16.264 -5.600 449 1HB LEU 72 1HB LEU 72 3.426 17.194 -6.249 450 2HB LEU 72 2HB LEU 72 4.750 18.248 -6.739 451 HG LEU 72 HG LEU 72 4.653 15.285 -7.377 452 1HD1 LEU 72 1HD1 LEU 72 2.846 16.921 -8.402 453 2HD1 LEU 72 2HD1 LEU 72 4.197 17.444 -9.408 454 3HD1 LEU 72 3HD1 LEU 72 3.680 15.758 -9.434 455 1HD2 LEU 72 1HD2 LEU 72 6.831 16.797 -7.295 456 2HD2 LEU 72 2HD2 LEU 72 6.585 15.661 -8.621 457 3HD2 LEU 72 3HD2 LEU 72 6.229 17.373 -8.849 458 H GLY 73 H GLY 73 4.307 17.536 -3.082 459 1HA GLY 73 1HA GLY 73 5.424 19.032 -1.456 460 2HA GLY 73 2HA GLY 73 6.164 19.865 -2.829 461 H ALA 74 H ALA 74 4.048 20.158 -4.544 462 HA ALA 74 HA ALA 74 2.142 21.842 -2.974 463 1HB ALA 74 1HB ALA 74 3.664 23.137 -4.452 464 2HB ALA 74 2HB ALA 74 3.072 22.215 -5.835 465 3HB ALA 74 3HB ALA 74 1.979 23.282 -4.951 466 H GLY 75 H GLY 75 2.397 19.040 -4.806 467 1HA GLY 75 1HA GLY 75 -0.541 18.983 -5.187 468 2HA GLY 75 2HA GLY 75 0.464 18.698 -6.609 469 H SER 76 H SER 76 -1.352 16.786 -5.363 470 HA SER 76 HA SER 76 0.582 14.579 -4.980 471 1HB SER 76 1HB SER 76 -0.201 13.938 -2.849 472 2HB SER 76 2HB SER 76 -0.109 15.694 -2.728 473 HG SER 76 HG SER 76 -2.180 15.717 -2.448 474 H ALA 77 H ALA 77 -0.780 12.447 -4.743 475 HA ALA 77 HA ALA 77 -3.425 12.592 -6.042 476 1HB ALA 77 1HB ALA 77 -1.018 12.065 -7.516 477 2HB ALA 77 2HB ALA 77 -2.004 10.601 -7.486 478 3HB ALA 77 3HB ALA 77 -2.680 12.108 -8.107 479 H LEU 78 H LEU 78 -4.708 10.932 -5.305 480 HA LEU 78 HA LEU 78 -3.401 8.922 -3.551 481 1HB LEU 78 1HB LEU 78 -5.857 10.410 -3.435 482 2HB LEU 78 2HB LEU 78 -6.220 8.684 -3.429 483 HG LEU 78 HG LEU 78 -4.174 8.658 -1.701 484 1HD1 LEU 78 1HD1 LEU 78 -5.374 11.434 -1.529 485 2HD1 LEU 78 2HD1 LEU 78 -4.484 10.687 -0.202 486 3HD1 LEU 78 3HD1 LEU 78 -3.675 11.008 -1.736 487 1HD2 LEU 78 1HD2 LEU 78 -6.675 8.013 -1.458 488 2HD2 LEU 78 2HD2 LEU 78 -5.788 8.431 0.007 489 3HD2 LEU 78 3HD2 LEU 78 -6.869 9.609 -0.736 490 H LEU 79 H LEU 79 -3.627 6.726 -3.879 491 HA LEU 79 HA LEU 79 -5.037 5.890 -6.371 492 1HB LEU 79 1HB LEU 79 -2.278 5.821 -5.797 493 2HB LEU 79 2HB LEU 79 -2.833 4.159 -5.655 494 HG LEU 79 HG LEU 79 -2.161 5.479 -7.995 495 1HD1 LEU 79 1HD1 LEU 79 -3.722 2.978 -7.375 496 2HD1 LEU 79 2HD1 LEU 79 -3.309 3.412 -9.033 497 3HD1 LEU 79 3HD1 LEU 79 -2.028 3.121 -7.853 498 1HD2 LEU 79 1HD2 LEU 79 -4.321 6.710 -7.878 499 2HD2 LEU 79 2HD2 LEU 79 -4.228 5.646 -9.285 500 3HD2 LEU 79 3HD2 LEU 79 -5.171 5.162 -7.874 501 H GLY 80 H GLY 80 -5.765 3.664 -6.353 502 1HA GLY 80 1HA GLY 80 -5.651 2.081 -3.932 503 2HA GLY 80 2HA GLY 80 -7.221 2.853 -4.138 504 H THR 81 H THR 81 -4.951 0.570 -5.615 505 HA THR 81 HA THR 81 -7.103 -0.294 -7.496 506 HB THR 81 HB THR 81 -5.475 -0.850 -8.977 507 HG1 THR 81 HG1 THR 81 -4.132 -2.378 -8.473 508 1HG2 THR 81 1HG2 THR 81 -4.729 1.385 -7.959 509 2HG2 THR 81 2HG2 THR 81 -3.512 0.450 -7.087 510 3HG2 THR 81 3HG2 THR 81 -3.509 0.472 -8.852 511 H ASP 82 H ASP 82 -6.870 -2.823 -7.924 512 HA ASP 82 HA ASP 82 -6.768 -4.189 -5.260 513 1HB ASP 82 1HB ASP 82 -9.090 -4.013 -6.037 514 2HB ASP 82 2HB ASP 82 -8.641 -4.711 -7.594 515 H VAL 83 H VAL 83 -6.097 -6.491 -5.401 516 HA VAL 83 HA VAL 83 -4.694 -7.176 -7.945 517 HB VAL 83 HB VAL 83 -3.539 -7.015 -5.167 518 1HG1 VAL 83 1HG1 VAL 83 -3.126 -9.181 -6.956 519 2HG1 VAL 83 2HG1 VAL 83 -1.686 -8.169 -7.045 520 3HG1 VAL 83 3HG1 VAL 83 -2.223 -8.806 -5.491 521 1HG2 VAL 83 1HG2 VAL 83 -3.343 -5.090 -6.724 522 2HG2 VAL 83 2HG2 VAL 83 -1.772 -5.793 -6.337 523 3HG2 VAL 83 3HG2 VAL 83 -2.534 -6.140 -7.890 524 H GLN 84 H GLN 84 -4.653 -9.378 -8.411 525 HA GLN 84 HA GLN 84 -5.834 -11.227 -6.385 526 1HB GLN 84 1HB GLN 84 -7.517 -10.511 -8.135 527 2HB GLN 84 2HB GLN 84 -6.492 -11.287 -9.341 528 1HG GLN 84 1HG GLN 84 -7.188 -13.354 -8.751 529 2HG GLN 84 2HG GLN 84 -7.005 -13.008 -7.031 530 1HE2 GLN 84 2HE2 GLN 84 -9.144 -14.185 -6.807 531 2HE2 GLN 84 1HE2 GLN 84 -10.579 -13.327 -7.100 532 H VAL 85 H VAL 85 -3.964 -12.370 -5.936 533 HA VAL 85 HA VAL 85 -2.346 -13.375 -8.227 534 HB VAL 85 HB VAL 85 -1.759 -13.163 -5.260 535 1HG1 VAL 85 1HG1 VAL 85 -0.722 -15.147 -6.677 536 2HG1 VAL 85 2HG1 VAL 85 0.310 -13.868 -7.316 537 3HG1 VAL 85 3HG1 VAL 85 0.298 -14.208 -5.587 538 1HG2 VAL 85 1HG2 VAL 85 -1.113 -11.590 -7.719 539 2HG2 VAL 85 2HG2 VAL 85 -1.485 -11.023 -6.088 540 3HG2 VAL 85 3HG2 VAL 85 0.112 -11.685 -6.451 541 H GLU 86 H GLU 86 -2.115 -15.584 -8.582 542 HA GLU 86 HA GLU 86 -3.912 -17.337 -6.962 543 1HB GLU 86 1HB GLU 86 -2.671 -18.097 -9.601 544 2HB GLU 86 2HB GLU 86 -4.156 -18.701 -8.865 545 1HG GLU 86 1HG GLU 86 -5.145 -16.405 -9.130 546 2HG GLU 86 2HG GLU 86 -3.700 -15.940 -10.028 547 H ALA 87 H ALA 87 -2.927 -19.804 -7.302 548 HA ALA 87 HA ALA 87 -0.056 -19.667 -6.475 549 1HB ALA 87 1HB ALA 87 -2.273 -20.394 -4.845 550 2HB ALA 87 2HB ALA 87 -1.367 -21.868 -5.186 551 3HB ALA 87 3HB ALA 87 -0.558 -20.488 -4.444 Start of MODEL 18 1 H ALA 8 H ALA 8 -5.251 9.552 -8.586 2 HA ALA 8 HA ALA 8 -4.610 10.407 -11.336 3 1HB ALA 8 1HB ALA 8 -3.176 8.667 -9.314 4 2HB ALA 8 2HB ALA 8 -2.542 9.026 -10.920 5 3HB ALA 8 3HB ALA 8 -2.784 10.328 -9.755 6 H THR 9 H THR 9 -3.658 8.454 -12.705 7 HA THR 9 HA THR 9 -5.901 6.572 -13.001 8 HB THR 9 HB THR 9 -4.280 7.859 -14.813 9 HG1 THR 9 HG1 THR 9 -5.225 6.070 -16.214 10 1HG2 THR 9 1HG2 THR 9 -2.425 6.298 -14.264 11 2HG2 THR 9 2HG2 THR 9 -3.457 4.947 -14.733 12 3HG2 THR 9 3HG2 THR 9 -2.961 6.137 -15.935 13 H LEU 10 H LEU 10 -5.718 4.399 -12.684 14 HA LEU 10 HA LEU 10 -3.397 3.518 -11.066 15 1HB LEU 10 1HB LEU 10 -6.148 2.338 -11.570 16 2HB LEU 10 2HB LEU 10 -4.911 1.544 -10.599 17 HG LEU 10 HG LEU 10 -4.857 3.489 -9.082 18 1HD1 LEU 10 1HD1 LEU 10 -6.958 4.539 -10.986 19 2HD1 LEU 10 2HD1 LEU 10 -6.806 5.139 -9.334 20 3HD1 LEU 10 3HD1 LEU 10 -5.469 5.330 -10.470 21 1HD2 LEU 10 1HD2 LEU 10 -6.507 1.528 -8.856 22 2HD2 LEU 10 2HD2 LEU 10 -6.880 2.992 -7.946 23 3HD2 LEU 10 3HD2 LEU 10 -7.732 2.649 -9.451 24 H VAL 11 H VAL 11 -1.852 3.085 -12.781 25 HA VAL 11 HA VAL 11 -2.713 1.008 -14.741 26 HB VAL 11 HB VAL 11 -0.180 2.676 -14.675 27 1HG1 VAL 11 1HG1 VAL 11 -1.101 0.363 -16.246 28 2HG1 VAL 11 2HG1 VAL 11 -0.619 1.733 -17.247 29 3HG1 VAL 11 3HG1 VAL 11 0.521 1.039 -16.094 30 1HG2 VAL 11 1HG2 VAL 11 -2.904 3.135 -15.705 31 2HG2 VAL 11 2HG2 VAL 11 -1.604 4.290 -15.415 32 3HG2 VAL 11 3HG2 VAL 11 -1.642 3.366 -16.915 33 H GLY 12 H GLY 12 -2.275 -1.054 -14.143 34 1HA GLY 12 1HA GLY 12 0.184 -1.529 -12.504 35 2HA GLY 12 2HA GLY 12 -1.325 -2.389 -12.194 36 HA PRO 13 HA PRO 13 0.294 -3.961 -16.440 37 1HB PRO 13 1HB PRO 13 2.830 -3.149 -17.128 38 2HB PRO 13 2HB PRO 13 1.350 -2.313 -17.627 39 1HG PRO 13 1HG PRO 13 3.321 -1.546 -15.513 40 2HG PRO 13 2HG PRO 13 2.292 -0.512 -16.518 41 1HD PRO 13 1HD PRO 13 1.767 -1.165 -13.843 42 2HD PRO 13 2HD PRO 13 0.569 -0.555 -14.998 43 H HIS 14 H HIS 14 1.355 -5.884 -16.749 44 HA HIS 14 HA HIS 14 3.700 -6.960 -15.900 45 1HB HIS 14 1HB HIS 14 3.370 -6.372 -13.592 46 2HB HIS 14 2HB HIS 14 1.724 -7.005 -13.608 47 HD1 HIS 14 HD1 HIS 14 1.455 -9.406 -12.950 48 HD2 HIS 14 HD2 HIS 14 5.393 -8.514 -13.979 49 HE1 HIS 14 HE1 HIS 14 2.817 -11.478 -12.433 50 H GLY 15 H GLY 15 0.247 -7.452 -15.904 51 1HA GLY 15 1HA GLY 15 -0.763 -9.105 -17.413 52 2HA GLY 15 2HA GLY 15 0.669 -10.114 -17.183 53 HA PRO 16 HA PRO 16 -2.273 -11.812 -14.180 54 1HB PRO 16 1HB PRO 16 -1.309 -14.371 -14.397 55 2HB PRO 16 2HB PRO 16 -2.543 -13.700 -15.478 56 1HG PRO 16 1HG PRO 16 0.347 -14.214 -16.022 57 2HG PRO 16 2HG PRO 16 -1.015 -14.166 -17.154 58 1HD PRO 16 1HD PRO 16 0.878 -12.100 -16.765 59 2HD PRO 16 2HD PRO 16 -0.677 -11.941 -17.613 60 H LEU 17 H LEU 17 -1.809 -12.366 -11.989 61 HA LEU 17 HA LEU 17 1.094 -12.250 -11.300 62 1HB LEU 17 1HB LEU 17 -1.369 -11.213 -9.927 63 2HB LEU 17 2HB LEU 17 0.077 -11.575 -8.984 64 HG LEU 17 HG LEU 17 0.430 -9.986 -11.484 65 1HD1 LEU 17 1HD1 LEU 17 -1.579 -9.022 -10.291 66 2HD1 LEU 17 2HD1 LEU 17 -0.531 -8.729 -8.903 67 3HD1 LEU 17 3HD1 LEU 17 -0.213 -7.915 -10.435 68 1HD2 LEU 17 1HD2 LEU 17 2.129 -10.813 -9.567 69 2HD2 LEU 17 2HD2 LEU 17 2.365 -9.298 -10.439 70 3HD2 LEU 17 3HD2 LEU 17 1.620 -9.289 -8.840 71 H ALA 18 H ALA 18 1.809 -14.266 -10.889 72 HA ALA 18 HA ALA 18 -0.016 -16.241 -9.650 73 1HB ALA 18 1HB ALA 18 2.786 -16.472 -10.789 74 2HB ALA 18 2HB ALA 18 1.920 -17.813 -10.038 75 3HB ALA 18 3HB ALA 18 1.295 -17.074 -11.512 76 H SER 19 H SER 19 1.025 -17.576 -7.814 77 HA SER 19 HA SER 19 1.672 -15.845 -5.645 78 1HB SER 19 1HB SER 19 0.825 -17.911 -4.959 79 2HB SER 19 2HB SER 19 1.837 -18.811 -6.083 80 HG SER 19 HG SER 19 3.074 -17.256 -4.111 81 H GLY 20 H GLY 20 3.549 -14.800 -5.252 82 1HA GLY 20 1HA GLY 20 5.905 -14.605 -4.938 83 2HA GLY 20 2HA GLY 20 6.118 -16.135 -5.789 84 H GLN 21 H GLN 21 4.465 -13.123 -6.779 85 HA GLN 21 HA GLN 21 6.364 -13.020 -9.095 86 1HB GLN 21 1HB GLN 21 3.380 -12.873 -9.019 87 2HB GLN 21 2HB GLN 21 4.236 -11.913 -10.228 88 1HG GLN 21 1HG GLN 21 5.321 -14.610 -10.039 89 2HG GLN 21 2HG GLN 21 3.601 -14.626 -10.430 90 1HE2 GLN 21 2HE2 GLN 21 3.215 -14.502 -12.641 91 2HE2 GLN 21 1HE2 GLN 21 4.215 -13.718 -13.765 92 H LEU 22 H LEU 22 6.692 -10.895 -10.016 93 HA LEU 22 HA LEU 22 6.312 -8.685 -8.038 94 1HB LEU 22 1HB LEU 22 8.680 -9.510 -8.665 95 2HB LEU 22 2HB LEU 22 8.384 -8.784 -10.240 96 HG LEU 22 HG LEU 22 9.610 -7.261 -8.687 97 1HD1 LEU 22 1HD1 LEU 22 7.710 -6.565 -10.456 98 2HD1 LEU 22 2HD1 LEU 22 6.944 -5.967 -8.983 99 3HD1 LEU 22 3HD1 LEU 22 8.536 -5.377 -9.450 100 1HD2 LEU 22 1HD2 LEU 22 7.559 -8.138 -6.882 101 2HD2 LEU 22 2HD2 LEU 22 8.970 -7.137 -6.540 102 3HD2 LEU 22 3HD2 LEU 22 7.460 -6.385 -7.052 103 H ALA 23 H ALA 23 4.468 -7.628 -8.794 104 HA ALA 23 HA ALA 23 4.094 -7.249 -11.697 105 1HB ALA 23 1HB ALA 23 2.454 -6.925 -9.264 106 2HB ALA 23 2HB ALA 23 2.200 -5.673 -10.481 107 3HB ALA 23 3HB ALA 23 1.962 -7.370 -10.900 108 H ALA 24 H ALA 24 3.980 -5.006 -12.628 109 HA ALA 24 HA ALA 24 5.568 -3.096 -10.950 110 1HB ALA 24 1HB ALA 24 5.683 -3.563 -13.942 111 2HB ALA 24 2HB ALA 24 6.501 -2.237 -13.113 112 3HB ALA 24 3HB ALA 24 6.953 -3.909 -12.761 113 H PHE 25 H PHE 25 4.123 -1.648 -10.254 114 HA PHE 25 HA PHE 25 1.823 -0.855 -11.936 115 1HB PHE 25 1HB PHE 25 2.591 -0.182 -9.086 116 2HB PHE 25 2HB PHE 25 1.111 0.345 -9.873 117 HD1 PHE 25 HD1 PHE 25 2.967 -2.955 -9.604 118 HD2 PHE 25 HD2 PHE 25 -0.738 -0.802 -9.171 119 HE1 PHE 25 HE1 PHE 25 1.822 -5.032 -8.900 120 HE2 PHE 25 HE2 PHE 25 -1.861 -2.887 -8.459 121 HZ PHE 25 HZ PHE 25 -0.586 -5.005 -8.330 122 H HIS 26 H HIS 26 1.205 1.483 -11.877 123 HA HIS 26 HA HIS 26 3.194 3.506 -11.394 124 1HB HIS 26 1HB HIS 26 4.007 3.976 -13.466 125 2HB HIS 26 2HB HIS 26 3.623 2.292 -13.787 126 HD1 HIS 26 HD1 HIS 26 2.473 2.071 -15.964 127 HD2 HIS 26 HD2 HIS 26 1.406 5.602 -14.047 128 HE1 HIS 26 HE1 HIS 26 0.870 3.270 -17.514 129 H ILE 27 H ILE 27 2.203 5.514 -11.233 130 HA ILE 27 HA ILE 27 -0.764 5.512 -11.609 131 HB ILE 27 HB ILE 27 0.727 7.526 -9.943 132 1HG1 ILE 27 1HG1 ILE 27 1.643 5.340 -9.292 133 2HG1 ILE 27 2HG1 ILE 27 0.572 5.957 -8.031 134 1HG2 ILE 27 1HG2 ILE 27 -2.025 6.428 -10.196 135 2HG2 ILE 27 2HG2 ILE 27 -1.469 6.762 -8.548 136 3HG2 ILE 27 3HG2 ILE 27 -1.491 8.052 -9.755 137 1HD1 ILE 27 1HD1 ILE 27 -1.244 4.635 -9.501 138 2HD1 ILE 27 2HD1 ILE 27 0.177 3.672 -9.896 139 3HD1 ILE 27 3HD1 ILE 27 -0.325 3.853 -8.216 140 H ALA 28 H ALA 28 -1.763 7.436 -12.547 141 HA ALA 28 HA ALA 28 0.206 9.247 -13.921 142 1HB ALA 28 1HB ALA 28 -0.932 7.301 -15.312 143 2HB ALA 28 2HB ALA 28 -2.283 8.437 -15.353 144 3HB ALA 28 3HB ALA 28 -0.715 8.906 -16.010 145 H ALA 29 H ALA 29 -0.252 11.343 -13.456 146 HA ALA 29 HA ALA 29 -2.787 12.538 -13.880 147 1HB ALA 29 1HB ALA 29 -2.441 11.384 -11.216 148 2HB ALA 29 2HB ALA 29 -2.805 13.108 -11.167 149 3HB ALA 29 3HB ALA 29 -3.899 12.000 -11.993 150 HA PRO 30 HA PRO 30 0.058 15.806 -11.993 151 1HB PRO 30 1HB PRO 30 1.994 15.040 -10.194 152 2HB PRO 30 2HB PRO 30 0.332 15.433 -9.723 153 1HG PRO 30 1HG PRO 30 1.654 12.774 -9.867 154 2HG PRO 30 2HG PRO 30 0.251 13.278 -8.915 155 1HD PRO 30 1HD PRO 30 0.205 11.787 -11.346 156 2HD PRO 30 2HD PRO 30 -1.187 12.481 -10.489 157 H LEU 31 H LEU 31 0.631 14.736 -14.310 158 HA LEU 31 HA LEU 31 2.505 13.459 -15.455 159 1HB LEU 31 1HB LEU 31 1.823 16.256 -15.810 160 2HB LEU 31 2HB LEU 31 3.467 15.907 -16.349 161 HG LEU 31 HG LEU 31 2.384 13.820 -17.488 162 1HD1 LEU 31 1HD1 LEU 31 0.127 14.826 -16.250 163 2HD1 LEU 31 2HD1 LEU 31 -0.043 15.423 -17.901 164 3HD1 LEU 31 3HD1 LEU 31 0.123 13.692 -17.601 165 1HD2 LEU 31 1HD2 LEU 31 2.668 16.612 -18.292 166 2HD2 LEU 31 2HD2 LEU 31 3.072 15.146 -19.185 167 3HD2 LEU 31 3HD2 LEU 31 1.426 15.779 -19.226 168 HA PRO 32 HA PRO 32 6.565 15.340 -13.980 169 1HB PRO 32 1HB PRO 32 6.540 17.627 -12.457 170 2HB PRO 32 2HB PRO 32 6.577 17.629 -14.228 171 1HG PRO 32 1HG PRO 32 4.298 18.236 -12.397 172 2HG PRO 32 2HG PRO 32 4.601 18.818 -14.042 173 1HD PRO 32 1HD PRO 32 2.791 16.770 -13.326 174 2HD PRO 32 2HD PRO 32 3.371 17.128 -14.965 175 H VAL 33 H VAL 33 5.659 13.364 -12.536 176 HA VAL 33 HA VAL 33 5.439 14.102 -9.676 177 HB VAL 33 HB VAL 33 5.499 11.287 -10.763 178 1HG1 VAL 33 1HG1 VAL 33 4.238 12.626 -8.350 179 2HG1 VAL 33 2HG1 VAL 33 4.010 10.930 -8.781 180 3HG1 VAL 33 3HG1 VAL 33 5.612 11.520 -8.339 181 1HG2 VAL 33 1HG2 VAL 33 3.187 13.231 -10.650 182 2HG2 VAL 33 2HG2 VAL 33 3.820 12.418 -12.083 183 3HG2 VAL 33 3HG2 VAL 33 2.987 11.488 -10.835 184 H THR 34 H THR 34 6.934 13.425 -8.103 185 HA THR 34 HA THR 34 9.578 12.568 -9.191 186 HB THR 34 HB THR 34 10.427 13.652 -6.994 187 HG1 THR 34 HG1 THR 34 9.051 14.947 -5.977 188 1HG2 THR 34 1HG2 THR 34 9.653 14.797 -9.565 189 2HG2 THR 34 2HG2 THR 34 9.689 16.009 -8.283 190 3HG2 THR 34 3HG2 THR 34 11.126 15.047 -8.626 191 H ALA 35 H ALA 35 7.027 11.758 -7.036 192 HA ALA 35 HA ALA 35 8.095 9.169 -6.492 193 1HB ALA 35 1HB ALA 35 8.773 11.370 -4.652 194 2HB ALA 35 2HB ALA 35 8.171 9.904 -3.877 195 3HB ALA 35 3HB ALA 35 9.597 9.832 -4.914 196 H THR 36 H THR 36 6.611 7.880 -5.267 197 HA THR 36 HA THR 36 4.155 9.239 -4.279 198 HB THR 36 HB THR 36 3.027 8.579 -6.132 199 HG1 THR 36 HG1 THR 36 2.051 6.716 -5.762 200 1HG2 THR 36 1HG2 THR 36 5.415 6.841 -6.602 201 2HG2 THR 36 2HG2 THR 36 3.929 6.530 -7.502 202 3HG2 THR 36 3HG2 THR 36 4.724 8.099 -7.627 203 H ARG 37 H ARG 37 3.290 8.177 -2.476 204 HA ARG 37 HA ARG 37 4.939 5.961 -1.424 205 1HB ARG 37 1HB ARG 37 3.273 8.084 -0.261 206 2HB ARG 37 2HB ARG 37 3.076 6.512 0.520 207 1HG ARG 37 1HG ARG 37 5.620 6.369 0.590 208 2HG ARG 37 2HG ARG 37 5.640 8.069 0.120 209 1HD ARG 37 1HD ARG 37 3.911 7.265 2.424 210 2HD ARG 37 2HD ARG 37 5.653 7.359 2.684 211 HE ARG 37 HE ARG 37 3.858 9.622 2.163 212 1HH1 ARG 37 1HH1 ARG 37 7.093 8.426 1.837 213 2HH1 ARG 37 2HH1 ARG 37 7.819 9.973 2.102 214 1HH2 ARG 37 1HH2 ARG 37 4.819 11.611 2.645 215 2HH2 ARG 37 2HH2 ARG 37 6.541 11.767 2.555 216 H TRP 38 H TRP 38 4.265 4.005 -2.163 217 HA TRP 38 HA TRP 38 1.381 3.500 -2.619 218 1HB TRP 38 1HB TRP 38 3.750 1.663 -2.980 219 2HB TRP 38 2HB TRP 38 2.099 1.332 -3.480 220 HD1 TRP 38 HD1 TRP 38 4.605 4.236 -4.058 221 HE1 TRP 38 HE1 TRP 38 4.517 4.842 -6.561 222 HE3 TRP 38 HE3 TRP 38 1.039 0.946 -5.626 223 HZ2 TRP 38 HZ2 TRP 38 3.124 4.029 -8.917 224 HZ3 TRP 38 HZ3 TRP 38 0.340 0.892 -7.998 225 HH2 TRP 38 HH2 TRP 38 1.381 2.423 -9.644 226 H ASP 39 H ASP 39 0.793 1.146 -1.909 227 HA ASP 39 HA ASP 39 1.922 0.363 0.674 228 1HB ASP 39 1HB ASP 39 -0.450 1.965 0.559 229 2HB ASP 39 2HB ASP 39 -0.917 0.335 1.046 230 H PHE 40 H PHE 40 2.402 -1.668 -0.084 231 HA PHE 40 HA PHE 40 0.546 -3.012 -1.904 232 1HB PHE 40 1HB PHE 40 2.871 -4.345 -0.520 233 2HB PHE 40 2HB PHE 40 2.118 -4.764 -2.053 234 HD1 PHE 40 HD1 PHE 40 1.974 -1.570 -2.717 235 HD2 PHE 40 HD2 PHE 40 5.058 -4.409 -1.747 236 HE1 PHE 40 HE1 PHE 40 3.635 -0.201 -3.943 237 HE2 PHE 40 HE2 PHE 40 6.705 -3.033 -2.974 238 HZ PHE 40 HZ PHE 40 5.998 -0.932 -4.071 239 H GLY 41 H GLY 41 1.826 -3.927 1.317 240 1HA GLY 41 1HA GLY 41 0.490 -4.751 3.135 241 2HA GLY 41 2HA GLY 41 -0.874 -4.920 2.027 242 H ASP 42 H ASP 42 2.185 -6.100 0.937 243 HA ASP 42 HA ASP 42 1.232 -8.891 1.341 244 1HB ASP 42 1HB ASP 42 3.082 -9.287 -0.497 245 2HB ASP 42 2HB ASP 42 1.503 -8.678 -0.973 246 H GLY 43 H GLY 43 4.508 -8.405 0.456 247 1HA GLY 43 1HA GLY 43 5.380 -9.359 3.084 248 2HA GLY 43 2HA GLY 43 6.419 -9.093 1.677 249 H SER 44 H SER 44 4.965 -6.381 1.371 250 HA SER 44 HA SER 44 6.244 -4.936 3.643 251 1HB SER 44 1HB SER 44 7.441 -3.490 2.242 252 2HB SER 44 2HB SER 44 7.619 -5.034 1.414 253 HG SER 44 HG SER 44 5.741 -4.400 0.170 254 H ALA 45 H ALA 45 4.895 -3.398 4.473 255 HA ALA 45 HA ALA 45 2.281 -3.008 3.227 256 1HB ALA 45 1HB ALA 45 3.559 -2.148 5.801 257 2HB ALA 45 2HB ALA 45 2.057 -1.393 5.267 258 3HB ALA 45 3HB ALA 45 2.117 -3.131 5.553 259 H GLU 46 H GLU 46 4.044 -0.409 4.733 260 HA GLU 46 HA GLU 46 3.236 1.600 2.913 261 1HB GLU 46 1HB GLU 46 5.204 2.900 3.878 262 2HB GLU 46 2HB GLU 46 4.059 2.270 5.062 263 1HG GLU 46 1HG GLU 46 5.519 0.602 5.789 264 2HG GLU 46 2HG GLU 46 6.427 0.598 4.278 265 H VAL 47 H VAL 47 4.416 2.698 1.230 266 HA VAL 47 HA VAL 47 6.772 1.225 0.142 267 HB VAL 47 HB VAL 47 4.375 2.082 -1.502 268 1HG1 VAL 47 1HG1 VAL 47 6.723 1.992 -2.531 269 2HG1 VAL 47 2HG1 VAL 47 6.651 0.251 -2.268 270 3HG1 VAL 47 3HG1 VAL 47 5.474 1.033 -3.321 271 1HG2 VAL 47 1HG2 VAL 47 4.297 0.013 0.201 272 2HG2 VAL 47 2HG2 VAL 47 3.553 -0.062 -1.391 273 3HG2 VAL 47 3HG2 VAL 47 5.141 -0.777 -1.127 274 H ASP 48 H ASP 48 8.349 2.634 -0.418 275 HA ASP 48 HA ASP 48 7.600 5.485 -0.921 276 1HB ASP 48 1HB ASP 48 9.758 4.222 0.548 277 2HB ASP 48 2HB ASP 48 10.414 5.231 -0.742 278 H ALA 49 H ALA 49 7.040 5.205 -3.126 279 HA ALA 49 HA ALA 49 9.031 3.925 -4.906 280 1HB ALA 49 1HB ALA 49 6.381 3.712 -4.908 281 2HB ALA 49 2HB ALA 49 6.515 5.125 -5.956 282 3HB ALA 49 3HB ALA 49 7.320 3.619 -6.397 283 H ALA 50 H ALA 50 9.807 4.961 -6.809 284 HA ALA 50 HA ALA 50 10.238 7.869 -6.462 285 1HB ALA 50 1HB ALA 50 11.816 5.711 -7.434 286 2HB ALA 50 2HB ALA 50 11.532 6.798 -8.794 287 3HB ALA 50 3HB ALA 50 12.271 7.411 -7.314 288 H GLY 51 H GLY 51 9.828 9.353 -8.210 289 1HA GLY 51 1HA GLY 51 8.341 10.280 -9.779 290 2HA GLY 51 2HA GLY 51 8.738 8.842 -10.727 291 HA PRO 52 HA PRO 52 4.359 8.297 -9.587 292 1HB PRO 52 1HB PRO 52 3.444 8.048 -12.159 293 2HB PRO 52 2HB PRO 52 3.606 9.612 -11.341 294 1HG PRO 52 1HG PRO 52 5.258 8.468 -13.524 295 2HG PRO 52 2HG PRO 52 5.064 10.160 -13.035 296 1HD PRO 52 1HD PRO 52 7.262 8.410 -12.405 297 2HD PRO 52 2HD PRO 52 7.013 10.077 -11.838 298 H ALA 53 H ALA 53 6.545 6.215 -9.678 299 HA ALA 53 HA ALA 53 4.845 4.013 -10.746 300 1HB ALA 53 1HB ALA 53 6.930 4.987 -12.243 301 2HB ALA 53 2HB ALA 53 7.684 3.644 -11.382 302 3HB ALA 53 3HB ALA 53 6.258 3.362 -12.381 303 H ALA 54 H ALA 54 5.270 1.954 -9.882 304 HA ALA 54 HA ALA 54 7.418 1.443 -7.992 305 1HB ALA 54 1HB ALA 54 5.576 2.842 -6.736 306 2HB ALA 54 2HB ALA 54 4.680 1.324 -6.752 307 3HB ALA 54 3HB ALA 54 6.254 1.411 -5.961 308 H SER 55 H SER 55 7.342 -0.848 -7.315 309 HA SER 55 HA SER 55 5.468 -2.422 -9.039 310 1HB SER 55 1HB SER 55 7.749 -3.928 -8.102 311 2HB SER 55 2HB SER 55 7.195 -3.642 -9.749 312 HG SER 55 HG SER 55 8.380 -1.801 -9.829 313 H HIS 56 H HIS 56 4.809 -4.531 -8.157 314 HA HIS 56 HA HIS 56 4.569 -4.429 -5.181 315 1HB HIS 56 1HB HIS 56 2.687 -5.095 -7.374 316 2HB HIS 56 2HB HIS 56 2.576 -6.081 -5.918 317 HD1 HIS 56 HD1 HIS 56 2.643 -2.382 -6.874 318 HD2 HIS 56 HD2 HIS 56 1.200 -4.877 -3.870 319 HE1 HIS 56 HE1 HIS 56 1.248 -0.924 -5.330 320 H ARG 57 H ARG 57 5.109 -6.237 -4.021 321 HA ARG 57 HA ARG 57 6.139 -8.576 -5.574 322 1HB ARG 57 1HB ARG 57 7.475 -9.050 -3.460 323 2HB ARG 57 2HB ARG 57 7.955 -7.600 -4.339 324 1HG ARG 57 1HG ARG 57 5.917 -6.791 -2.549 325 2HG ARG 57 2HG ARG 57 6.992 -7.838 -1.628 326 1HD ARG 57 1HD ARG 57 7.830 -5.566 -1.480 327 2HD ARG 57 2HD ARG 57 8.935 -6.503 -2.485 328 HE ARG 57 HE ARG 57 6.874 -5.098 -4.015 329 1HH1 ARG 57 1HH1 ARG 57 8.934 -3.544 -2.066 330 2HH1 ARG 57 2HH1 ARG 57 9.992 -2.918 -3.286 331 1HH2 ARG 57 1HH2 ARG 57 8.685 -4.901 -5.813 332 2HH2 ARG 57 2HH2 ARG 57 9.850 -3.686 -5.408 333 H TYR 58 H TYR 58 4.235 -9.794 -5.648 334 HA TYR 58 HA TYR 58 2.851 -10.302 -3.064 335 1HB TYR 58 1HB TYR 58 2.088 -10.759 -5.956 336 2HB TYR 58 2HB TYR 58 1.143 -11.419 -4.620 337 HD1 TYR 58 HD1 TYR 58 0.953 -9.607 -2.592 338 HD2 TYR 58 HD2 TYR 58 1.227 -8.753 -6.786 339 HE1 TYR 58 HE1 TYR 58 -0.162 -7.433 -2.217 340 HE2 TYR 58 HE2 TYR 58 0.108 -6.572 -6.410 341 HH TYR 58 HH TYR 58 -0.729 -5.501 -3.121 342 H VAL 59 H VAL 59 3.111 -12.211 -2.010 343 HA VAL 59 HA VAL 59 4.544 -14.383 -3.486 344 HB VAL 59 HB VAL 59 4.645 -13.701 -0.536 345 1HG1 VAL 59 1HG1 VAL 59 5.875 -15.896 -2.209 346 2HG1 VAL 59 2HG1 VAL 59 6.598 -15.384 -0.683 347 3HG1 VAL 59 3HG1 VAL 59 4.964 -16.047 -0.707 348 1HG2 VAL 59 1HG2 VAL 59 5.837 -12.230 -2.358 349 2HG2 VAL 59 2HG2 VAL 59 6.746 -12.741 -0.938 350 3HG2 VAL 59 3HG2 VAL 59 6.949 -13.593 -2.470 351 H LEU 60 H LEU 60 1.812 -13.662 -1.351 352 HA LEU 60 HA LEU 60 1.211 -16.572 -1.195 353 1HB LEU 60 1HB LEU 60 0.955 -14.510 0.649 354 2HB LEU 60 2HB LEU 60 -0.696 -14.754 0.079 355 HG LEU 60 HG LEU 60 0.508 -17.322 0.466 356 1HD1 LEU 60 1HD1 LEU 60 1.441 -15.316 2.323 357 2HD1 LEU 60 2HD1 LEU 60 0.425 -16.486 3.165 358 3HD1 LEU 60 3HD1 LEU 60 1.837 -17.033 2.261 359 1HD2 LEU 60 1HD2 LEU 60 -1.793 -15.715 1.479 360 2HD2 LEU 60 2HD2 LEU 60 -1.785 -17.305 0.718 361 3HD2 LEU 60 3HD2 LEU 60 -1.333 -17.138 2.415 362 HA PRO 61 HA PRO 61 -1.851 -16.156 -4.337 363 1HB PRO 61 1HB PRO 61 -3.245 -18.461 -3.782 364 2HB PRO 61 2HB PRO 61 -1.680 -18.439 -4.612 365 1HG PRO 61 1HG PRO 61 -2.304 -19.229 -1.806 366 2HG PRO 61 2HG PRO 61 -0.972 -19.754 -2.849 367 1HD PRO 61 1HD PRO 61 -0.796 -17.841 -0.772 368 2HD PRO 61 2HD PRO 61 0.425 -18.132 -2.029 369 H GLY 62 H GLY 62 -3.624 -14.827 -4.244 370 1HA GLY 62 1HA GLY 62 -6.048 -15.243 -3.007 371 2HA GLY 62 2HA GLY 62 -5.087 -14.480 -1.738 372 H ARG 63 H ARG 63 -6.411 -12.560 -1.803 373 HA ARG 63 HA ARG 63 -5.950 -10.905 -4.252 374 1HB ARG 63 1HB ARG 63 -8.411 -11.515 -2.781 375 2HB ARG 63 2HB ARG 63 -8.153 -9.784 -3.007 376 1HG ARG 63 1HG ARG 63 -7.460 -10.876 -5.471 377 2HG ARG 63 2HG ARG 63 -8.865 -11.819 -4.978 378 1HD ARG 63 1HD ARG 63 -9.339 -9.057 -4.353 379 2HD ARG 63 2HD ARG 63 -8.831 -9.182 -6.038 380 HE ARG 63 HE ARG 63 -10.737 -10.665 -6.438 381 1HH1 ARG 63 1HH2 ARG 63 -11.818 -8.162 -5.019 382 2HH1 ARG 63 2HH2 ARG 63 -12.909 -8.882 -3.884 383 1HH2 ARG 63 1HH1 ARG 63 -11.588 -12.070 -4.237 384 2HH2 ARG 63 2HH1 ARG 63 -12.779 -11.097 -3.441 385 H TYR 64 H TYR 64 -4.632 -9.225 -3.828 386 HA TYR 64 HA TYR 64 -4.389 -8.248 -1.017 387 1HB TYR 64 1HB TYR 64 -2.623 -7.879 -3.449 388 2HB TYR 64 2HB TYR 64 -2.329 -7.112 -1.897 389 HD1 TYR 64 HD1 TYR 64 -2.612 -10.396 -3.615 390 HD2 TYR 64 HD2 TYR 64 -1.288 -8.294 -0.110 391 HE1 TYR 64 HE1 TYR 64 -1.356 -12.402 -2.883 392 HE2 TYR 64 HE2 TYR 64 -0.026 -10.298 0.616 393 HH TYR 64 HH TYR 64 0.642 -12.340 0.070 394 H HIS 65 H HIS 65 -4.438 -5.940 -0.640 395 HA HIS 65 HA HIS 65 -5.913 -4.442 -2.766 396 1HB HIS 65 1HB HIS 65 -7.076 -4.700 -0.560 397 2HB HIS 65 2HB HIS 65 -5.751 -3.814 0.197 398 HD1 HIS 65 HD1 HIS 65 -8.619 -3.374 -2.206 399 HD2 HIS 65 HD2 HIS 65 -5.750 -1.026 -0.302 400 HE1 HIS 65 HE1 HIS 65 -9.276 -0.963 -2.621 401 H VAL 66 H VAL 66 -4.903 -2.677 -3.644 402 HA VAL 66 HA VAL 66 -2.282 -1.881 -2.448 403 HB VAL 66 HB VAL 66 -3.254 -1.698 -5.311 404 1HG1 VAL 66 1HG1 VAL 66 -0.613 -0.974 -4.014 405 2HG1 VAL 66 2HG1 VAL 66 -0.862 -1.096 -5.757 406 3HG1 VAL 66 3HG1 VAL 66 -1.731 0.125 -4.829 407 1HG2 VAL 66 1HG2 VAL 66 -1.433 -3.582 -3.834 408 2HG2 VAL 66 2HG2 VAL 66 -2.789 -3.968 -4.892 409 3HG2 VAL 66 3HG2 VAL 66 -1.287 -3.348 -5.577 410 H THR 67 H THR 67 -1.760 0.349 -2.383 411 HA THR 67 HA THR 67 -3.815 2.319 -3.175 412 HB THR 67 HB THR 67 -4.116 3.278 -1.042 413 HG1 THR 67 HG1 THR 67 -2.587 3.277 0.385 414 1HG2 THR 67 1HG2 THR 67 -5.236 1.061 -1.245 415 2HG2 THR 67 2HG2 THR 67 -3.841 0.317 -0.460 416 3HG2 THR 67 3HG2 THR 67 -4.838 1.474 0.422 417 H ALA 68 H ALA 68 -2.856 4.529 -3.247 418 HA ALA 68 HA ALA 68 0.069 4.645 -2.792 419 1HB ALA 68 1HB ALA 68 -0.779 3.931 -5.294 420 2HB ALA 68 2HB ALA 68 -0.671 5.686 -5.454 421 3HB ALA 68 3HB ALA 68 0.743 4.753 -4.957 422 H VAL 69 H VAL 69 0.930 6.781 -2.874 423 HA VAL 69 HA VAL 69 -1.095 8.975 -2.848 424 HB VAL 69 HB VAL 69 1.294 9.259 -1.103 425 1HG1 VAL 69 1HG1 VAL 69 -0.684 10.879 -1.446 426 2HG1 VAL 69 2HG1 VAL 69 -1.611 9.753 -0.455 427 3HG1 VAL 69 3HG1 VAL 69 -0.188 10.551 0.213 428 1HG2 VAL 69 1HG2 VAL 69 -0.802 7.159 -0.700 429 2HG2 VAL 69 2HG2 VAL 69 0.907 7.136 -0.262 430 3HG2 VAL 69 3HG2 VAL 69 -0.241 8.056 0.710 431 H LEU 70 H LEU 70 -0.488 10.531 -4.331 432 HA LEU 70 HA LEU 70 2.179 10.270 -5.563 433 1HB LEU 70 1HB LEU 70 -0.156 12.104 -6.146 434 2HB LEU 70 2HB LEU 70 1.372 12.167 -7.010 435 HG LEU 70 HG LEU 70 -0.739 10.711 -7.849 436 1HD1 LEU 70 1HD1 LEU 70 1.877 11.099 -8.549 437 2HD1 LEU 70 2HD1 LEU 70 1.803 9.347 -8.349 438 3HD1 LEU 70 3HD1 LEU 70 0.707 10.156 -9.472 439 1HD2 LEU 70 1HD2 LEU 70 0.965 8.813 -6.206 440 2HD2 LEU 70 2HD2 LEU 70 -0.726 9.217 -5.901 441 3HD2 LEU 70 3HD2 LEU 70 -0.282 8.329 -7.357 442 H ALA 71 H ALA 71 3.805 11.870 -5.423 443 HA ALA 71 HA ALA 71 3.149 14.184 -3.674 444 1HB ALA 71 1HB ALA 71 5.614 12.463 -3.431 445 2HB ALA 71 2HB ALA 71 5.367 14.017 -2.626 446 3HB ALA 71 3HB ALA 71 4.327 12.646 -2.234 447 H LEU 72 H LEU 72 3.286 15.762 -5.027 448 HA LEU 72 HA LEU 72 5.522 15.912 -6.989 449 1HB LEU 72 1HB LEU 72 2.790 16.416 -7.201 450 2HB LEU 72 2HB LEU 72 3.512 18.018 -7.074 451 HG LEU 72 HG LEU 72 4.404 15.870 -9.030 452 1HD1 LEU 72 1HD1 LEU 72 2.075 17.196 -9.236 453 2HD1 LEU 72 2HD1 LEU 72 3.142 18.433 -9.899 454 3HD1 LEU 72 3HD1 LEU 72 3.073 16.837 -10.645 455 1HD2 LEU 72 1HD2 LEU 72 5.267 18.693 -8.408 456 2HD2 LEU 72 2HD2 LEU 72 6.266 17.262 -8.665 457 3HD2 LEU 72 3HD2 LEU 72 5.477 18.045 -10.034 458 H GLY 73 H GLY 73 4.497 17.033 -3.986 459 1HA GLY 73 1HA GLY 73 6.008 18.411 -2.619 460 2HA GLY 73 2HA GLY 73 6.443 19.295 -4.089 461 H ALA 74 H ALA 74 4.006 19.760 -5.237 462 HA ALA 74 HA ALA 74 2.585 21.403 -3.184 463 1HB ALA 74 1HB ALA 74 2.945 21.931 -6.147 464 2HB ALA 74 2HB ALA 74 2.015 22.942 -5.040 465 3HB ALA 74 3HB ALA 74 3.761 22.791 -4.840 466 H GLY 75 H GLY 75 2.297 18.720 -5.176 467 1HA GLY 75 1HA GLY 75 -0.657 18.815 -4.924 468 2HA GLY 75 2HA GLY 75 0.019 18.537 -6.529 469 H SER 76 H SER 76 -1.618 16.653 -5.125 470 HA SER 76 HA SER 76 0.260 14.352 -5.066 471 1HB SER 76 1HB SER 76 -0.391 13.624 -2.909 472 2HB SER 76 2HB SER 76 -0.144 15.357 -2.710 473 HG SER 76 HG SER 76 -2.323 13.972 -2.224 474 H ALA 77 H ALA 77 -1.302 12.314 -4.565 475 HA ALA 77 HA ALA 77 -3.980 12.597 -5.724 476 1HB ALA 77 1HB ALA 77 -1.860 12.142 -7.480 477 2HB ALA 77 2HB ALA 77 -2.522 10.532 -7.193 478 3HB ALA 77 3HB ALA 77 -3.563 11.817 -7.806 479 H LEU 78 H LEU 78 -5.130 10.444 -5.643 480 HA LEU 78 HA LEU 78 -3.896 8.711 -3.539 481 1HB LEU 78 1HB LEU 78 -6.836 9.239 -4.056 482 2HB LEU 78 2HB LEU 78 -6.179 8.212 -2.782 483 HG LEU 78 HG LEU 78 -4.793 10.576 -2.424 484 1HD1 LEU 78 1HD1 LEU 78 -7.269 11.129 -3.857 485 2HD1 LEU 78 2HD1 LEU 78 -7.242 11.918 -2.280 486 3HD1 LEU 78 3HD1 LEU 78 -5.952 12.226 -3.442 487 1HD2 LEU 78 1HD2 LEU 78 -6.436 8.906 -0.971 488 2HD2 LEU 78 2HD2 LEU 78 -5.683 10.373 -0.343 489 3HD2 LEU 78 3HD2 LEU 78 -7.338 10.423 -0.952 490 H LEU 79 H LEU 79 -3.658 6.594 -4.010 491 HA LEU 79 HA LEU 79 -4.936 5.592 -6.508 492 1HB LEU 79 1HB LEU 79 -2.225 5.728 -5.785 493 2HB LEU 79 2HB LEU 79 -2.666 4.036 -5.574 494 HG LEU 79 HG LEU 79 -1.924 5.173 -7.950 495 1HD1 LEU 79 1HD1 LEU 79 -3.658 2.781 -7.319 496 2HD1 LEU 79 2HD1 LEU 79 -3.062 3.105 -8.947 497 3HD1 LEU 79 3HD1 LEU 79 -1.920 2.809 -7.632 498 1HD2 LEU 79 1HD2 LEU 79 -4.089 6.469 -7.935 499 2HD2 LEU 79 2HD2 LEU 79 -3.889 5.418 -9.340 500 3HD2 LEU 79 3HD2 LEU 79 -4.942 4.924 -8.011 501 H GLY 80 H GLY 80 -5.529 3.329 -6.495 502 1HA GLY 80 1HA GLY 80 -5.488 1.798 -4.051 503 2HA GLY 80 2HA GLY 80 -7.073 2.506 -4.339 504 H THR 81 H THR 81 -4.818 0.052 -5.378 505 HA THR 81 HA THR 81 -6.836 -0.857 -7.400 506 HB THR 81 HB THR 81 -5.157 -1.542 -8.817 507 HG1 THR 81 HG1 THR 81 -3.856 -2.920 -7.961 508 1HG2 THR 81 1HG2 THR 81 -4.810 0.903 -8.266 509 2HG2 THR 81 2HG2 THR 81 -3.525 0.400 -7.169 510 3HG2 THR 81 3HG2 THR 81 -3.387 0.075 -8.898 511 H ASP 82 H ASP 82 -6.122 -3.439 -7.758 512 HA ASP 82 HA ASP 82 -5.789 -4.782 -5.155 513 1HB ASP 82 1HB ASP 82 -8.352 -4.192 -5.881 514 2HB ASP 82 2HB ASP 82 -8.142 -5.749 -6.681 515 H VAL 83 H VAL 83 -5.076 -7.003 -5.491 516 HA VAL 83 HA VAL 83 -4.806 -7.764 -8.362 517 HB VAL 83 HB VAL 83 -2.572 -7.478 -8.190 518 1HG1 VAL 83 1HG1 VAL 83 -3.330 -6.286 -5.817 519 2HG1 VAL 83 2HG1 VAL 83 -2.221 -7.552 -5.267 520 3HG1 VAL 83 3HG1 VAL 83 -1.684 -6.343 -6.433 521 1HG2 VAL 83 1HG2 VAL 83 -2.847 -9.949 -7.686 522 2HG2 VAL 83 2HG2 VAL 83 -1.335 -9.235 -7.121 523 3HG2 VAL 83 3HG2 VAL 83 -2.650 -9.535 -5.983 524 H GLN 84 H GLN 84 -5.187 -9.909 -8.788 525 HA GLN 84 HA GLN 84 -5.928 -11.608 -6.448 526 1HB GLN 84 1HB GLN 84 -7.725 -11.293 -8.097 527 2HB GLN 84 2HB GLN 84 -6.662 -11.869 -9.381 528 1HG GLN 84 1HG GLN 84 -6.702 -14.070 -8.616 529 2HG GLN 84 2HG GLN 84 -7.111 -13.595 -6.967 530 1HE2 GLN 84 2HE2 GLN 84 -8.474 -15.295 -9.316 531 2HE2 GLN 84 1HE2 GLN 84 -10.093 -14.797 -9.205 532 H VAL 85 H VAL 85 -3.797 -12.322 -5.965 533 HA VAL 85 HA VAL 85 -2.104 -13.458 -8.035 534 HB VAL 85 HB VAL 85 -1.959 -13.457 -5.015 535 1HG1 VAL 85 1HG1 VAL 85 -0.590 -15.153 -6.941 536 2HG1 VAL 85 2HG1 VAL 85 0.551 -14.123 -6.079 537 3HG1 VAL 85 3HG1 VAL 85 -0.524 -15.192 -5.179 538 1HG2 VAL 85 1HG2 VAL 85 -1.060 -11.735 -7.204 539 2HG2 VAL 85 2HG2 VAL 85 -1.153 -11.392 -5.475 540 3HG2 VAL 85 3HG2 VAL 85 0.262 -12.212 -6.138 541 H GLU 86 H GLU 86 -2.094 -15.537 -8.743 542 HA GLU 86 HA GLU 86 -3.819 -17.489 -7.271 543 1HB GLU 86 1HB GLU 86 -3.091 -17.366 -10.211 544 2HB GLU 86 2HB GLU 86 -4.091 -18.613 -9.464 545 1HG GLU 86 1HG GLU 86 -5.877 -17.173 -9.121 546 2HG GLU 86 2HG GLU 86 -4.847 -15.744 -9.052 547 H ALA 87 H ALA 87 -2.971 -19.549 -6.861 548 HA ALA 87 HA ALA 87 -0.028 -19.751 -7.077 549 1HB ALA 87 1HB ALA 87 -1.584 -20.364 -5.011 550 2HB ALA 87 2HB ALA 87 -1.720 -21.903 -5.860 551 3HB ALA 87 3HB ALA 87 -0.136 -21.308 -5.361 Start of MODEL 19 1 H ALA 8 H ALA 8 -4.934 9.801 -8.297 2 HA ALA 8 HA ALA 8 -4.378 10.529 -11.123 3 1HB ALA 8 1HB ALA 8 -2.886 8.832 -9.104 4 2HB ALA 8 2HB ALA 8 -2.348 9.099 -10.764 5 3HB ALA 8 3HB ALA 8 -2.458 10.456 -9.642 6 H THR 9 H THR 9 -3.646 8.471 -12.446 7 HA THR 9 HA THR 9 -5.957 6.628 -12.337 8 HB THR 9 HB THR 9 -4.988 7.859 -14.470 9 HG1 THR 9 HG1 THR 9 -5.517 5.589 -15.496 10 1HG2 THR 9 1HG2 THR 9 -2.715 6.748 -14.016 11 2HG2 THR 9 2HG2 THR 9 -3.466 5.261 -14.590 12 3HG2 THR 9 3HG2 THR 9 -3.334 6.654 -15.664 13 H LEU 10 H LEU 10 -5.702 4.425 -12.210 14 HA LEU 10 HA LEU 10 -3.284 3.519 -10.780 15 1HB LEU 10 1HB LEU 10 -5.954 2.191 -11.378 16 2HB LEU 10 2HB LEU 10 -4.675 1.461 -10.415 17 HG LEU 10 HG LEU 10 -4.812 3.399 -8.845 18 1HD1 LEU 10 1HD1 LEU 10 -7.099 4.164 -10.670 19 2HD1 LEU 10 2HD1 LEU 10 -6.973 4.752 -9.011 20 3HD1 LEU 10 3HD1 LEU 10 -5.724 5.156 -10.188 21 1HD2 LEU 10 1HD2 LEU 10 -6.258 1.175 -8.825 22 2HD2 LEU 10 2HD2 LEU 10 -6.549 2.453 -7.647 23 3HD2 LEU 10 3HD2 LEU 10 -7.586 2.310 -9.064 24 H VAL 11 H VAL 11 -1.773 3.361 -12.613 25 HA VAL 11 HA VAL 11 -2.554 1.383 -14.700 26 HB VAL 11 HB VAL 11 -0.018 3.036 -14.533 27 1HG1 VAL 11 1HG1 VAL 11 -1.214 1.069 -16.426 28 2HG1 VAL 11 2HG1 VAL 11 -0.480 2.497 -17.156 29 3HG1 VAL 11 3HG1 VAL 11 0.483 1.444 -16.119 30 1HG2 VAL 11 1HG2 VAL 11 -2.777 3.692 -15.398 31 2HG2 VAL 11 2HG2 VAL 11 -1.460 4.767 -14.929 32 3HG2 VAL 11 3HG2 VAL 11 -1.518 4.104 -16.563 33 H GLY 12 H GLY 12 -2.305 -0.632 -13.722 34 1HA GLY 12 1HA GLY 12 0.375 -1.162 -12.498 35 2HA GLY 12 2HA GLY 12 -1.103 -1.959 -11.965 36 HA PRO 13 HA PRO 13 0.036 -3.791 -16.268 37 1HB PRO 13 1HB PRO 13 2.574 -3.228 -17.155 38 2HB PRO 13 2HB PRO 13 1.142 -2.278 -17.591 39 1HG PRO 13 1HG PRO 13 3.316 -1.619 -15.645 40 2HG PRO 13 2HG PRO 13 2.315 -0.529 -16.621 41 1HD PRO 13 1HD PRO 13 1.930 -1.045 -13.891 42 2HD PRO 13 2HD PRO 13 0.714 -0.357 -14.984 43 H HIS 14 H HIS 14 0.944 -5.839 -16.536 44 HA HIS 14 HA HIS 14 3.370 -6.832 -15.517 45 1HB HIS 14 1HB HIS 14 2.478 -8.137 -13.529 46 2HB HIS 14 2HB HIS 14 2.620 -6.402 -13.271 47 HD1 HIS 14 HD1 HIS 14 0.589 -5.331 -12.322 48 HD2 HIS 14 HD2 HIS 14 -0.361 -8.802 -14.421 49 HE1 HIS 14 HE1 HIS 14 -1.901 -5.685 -12.034 50 H GLY 15 H GLY 15 3.412 -9.254 -15.606 51 1HA GLY 15 1HA GLY 15 1.586 -10.213 -17.702 52 2HA GLY 15 2HA GLY 15 2.950 -11.104 -17.028 53 HA PRO 16 HA PRO 16 -0.462 -13.189 -14.993 54 1HB PRO 16 1HB PRO 16 0.984 -15.453 -14.440 55 2HB PRO 16 2HB PRO 16 0.202 -15.156 -16.002 56 1HG PRO 16 1HG PRO 16 3.097 -15.016 -15.300 57 2HG PRO 16 2HG PRO 16 2.338 -15.330 -16.870 58 1HD PRO 16 1HD PRO 16 3.471 -12.867 -16.030 59 2HD PRO 16 2HD PRO 16 2.443 -13.115 -17.459 60 H LEU 17 H LEU 17 -0.839 -13.481 -12.743 61 HA LEU 17 HA LEU 17 1.448 -12.705 -10.991 62 1HB LEU 17 1HB LEU 17 -1.271 -11.735 -11.184 63 2HB LEU 17 2HB LEU 17 -0.962 -12.373 -9.571 64 HG LEU 17 HG LEU 17 -0.341 -10.023 -9.608 65 1HD1 LEU 17 1HD1 LEU 17 1.495 -12.165 -9.065 66 2HD1 LEU 17 2HD1 LEU 17 2.398 -10.775 -9.669 67 3HD1 LEU 17 3HD1 LEU 17 1.358 -10.604 -8.257 68 1HD2 LEU 17 1HD2 LEU 17 1.307 -10.842 -12.014 69 2HD2 LEU 17 2HD2 LEU 17 0.016 -9.644 -11.953 70 3HD2 LEU 17 3HD2 LEU 17 1.555 -9.322 -11.155 71 H ALA 18 H ALA 18 2.090 -14.947 -10.837 72 HA ALA 18 HA ALA 18 0.163 -16.761 -9.494 73 1HB ALA 18 1HB ALA 18 2.022 -17.250 -11.443 74 2HB ALA 18 2HB ALA 18 2.920 -17.705 -9.993 75 3HB ALA 18 3HB ALA 18 1.380 -18.485 -10.360 76 H SER 19 H SER 19 1.142 -18.045 -7.594 77 HA SER 19 HA SER 19 1.866 -16.269 -5.516 78 1HB SER 19 1HB SER 19 0.949 -18.532 -5.114 79 2HB SER 19 2HB SER 19 2.456 -19.238 -5.693 80 HG SER 19 HG SER 19 2.967 -17.343 -3.862 81 H GLY 20 H GLY 20 3.665 -15.033 -5.604 82 1HA GLY 20 1HA GLY 20 6.076 -14.948 -5.128 83 2HA GLY 20 2HA GLY 20 6.269 -16.420 -6.081 84 H GLN 21 H GLN 21 4.349 -13.580 -6.986 85 HA GLN 21 HA GLN 21 6.325 -13.055 -9.175 86 1HB GLN 21 1HB GLN 21 3.750 -14.084 -9.514 87 2HB GLN 21 2HB GLN 21 3.584 -12.368 -9.881 88 1HG GLN 21 1HG GLN 21 4.325 -12.997 -11.945 89 2HG GLN 21 2HG GLN 21 5.911 -12.926 -11.176 90 1HE2 GLN 21 2HE2 GLN 21 6.864 -14.688 -12.350 91 2HE2 GLN 21 1HE2 GLN 21 6.325 -16.290 -12.194 92 H LEU 22 H LEU 22 6.390 -10.819 -9.900 93 HA LEU 22 HA LEU 22 5.200 -8.937 -7.912 94 1HB LEU 22 1HB LEU 22 7.282 -8.206 -7.488 95 2HB LEU 22 2HB LEU 22 7.934 -9.339 -8.665 96 HG LEU 22 HG LEU 22 7.406 -7.638 -10.469 97 1HD1 LEU 22 1HD1 LEU 22 5.803 -6.425 -8.717 98 2HD1 LEU 22 2HD1 LEU 22 7.284 -5.560 -8.326 99 3HD1 LEU 22 3HD1 LEU 22 6.645 -5.511 -9.973 100 1HD2 LEU 22 1HD2 LEU 22 9.457 -7.526 -8.405 101 2HD2 LEU 22 2HD2 LEU 22 9.612 -7.295 -10.148 102 3HD2 LEU 22 3HD2 LEU 22 9.151 -5.938 -9.117 103 H ALA 23 H ALA 23 3.903 -7.396 -8.716 104 HA ALA 23 HA ALA 23 3.579 -7.180 -11.664 105 1HB ALA 23 1HB ALA 23 1.886 -6.815 -9.312 106 2HB ALA 23 2HB ALA 23 1.799 -5.436 -10.411 107 3HB ALA 23 3HB ALA 23 1.412 -7.058 -10.995 108 H ALA 24 H ALA 24 3.929 -5.097 -12.721 109 HA ALA 24 HA ALA 24 5.441 -3.227 -10.954 110 1HB ALA 24 1HB ALA 24 5.399 -3.590 -13.948 111 2HB ALA 24 2HB ALA 24 6.186 -2.223 -13.155 112 3HB ALA 24 3HB ALA 24 6.739 -3.867 -12.831 113 H PHE 25 H PHE 25 4.523 -1.330 -10.425 114 HA PHE 25 HA PHE 25 1.930 -0.667 -11.742 115 1HB PHE 25 1HB PHE 25 3.027 -0.170 -8.979 116 2HB PHE 25 2HB PHE 25 1.594 0.645 -9.588 117 HD1 PHE 25 HD1 PHE 25 2.992 -2.871 -9.432 118 HD2 PHE 25 HD2 PHE 25 -0.441 -0.277 -9.107 119 HE1 PHE 25 HE1 PHE 25 1.565 -4.803 -8.812 120 HE2 PHE 25 HE2 PHE 25 -1.851 -2.223 -8.501 121 HZ PHE 25 HZ PHE 25 -0.848 -4.486 -8.353 122 H HIS 26 H HIS 26 1.354 1.660 -11.737 123 HA HIS 26 HA HIS 26 3.379 3.687 -11.490 124 1HB HIS 26 1HB HIS 26 4.162 3.886 -13.593 125 2HB HIS 26 2HB HIS 26 3.451 2.313 -13.920 126 HD1 HIS 26 HD1 HIS 26 2.317 2.488 -16.123 127 HD2 HIS 26 HD2 HIS 26 1.704 5.885 -13.819 128 HE1 HIS 26 HE1 HIS 26 0.795 3.998 -17.471 129 H ILE 27 H ILE 27 2.341 5.611 -11.132 130 HA ILE 27 HA ILE 27 -0.627 5.596 -11.429 131 HB ILE 27 HB ILE 27 0.766 7.742 -9.891 132 1HG1 ILE 27 1HG1 ILE 27 1.713 5.238 -9.444 133 2HG1 ILE 27 2HG1 ILE 27 1.535 6.438 -8.169 134 1HG2 ILE 27 1HG2 ILE 27 -1.764 6.126 -9.724 135 2HG2 ILE 27 2HG2 ILE 27 -1.177 6.993 -8.300 136 3HG2 ILE 27 3HG2 ILE 27 -1.563 7.872 -9.784 137 1HD1 ILE 27 1HD1 ILE 27 -0.680 4.514 -8.921 138 2HD1 ILE 27 2HD1 ILE 27 0.512 4.164 -7.668 139 3HD1 ILE 27 3HD1 ILE 27 -0.569 5.538 -7.487 140 H ALA 28 H ALA 28 -1.691 7.435 -12.424 141 HA ALA 28 HA ALA 28 0.212 9.273 -13.858 142 1HB ALA 28 1HB ALA 28 -1.024 7.252 -15.139 143 2HB ALA 28 2HB ALA 28 -2.274 8.491 -15.270 144 3HB ALA 28 3HB ALA 28 -0.658 8.795 -15.913 145 H ALA 29 H ALA 29 -0.290 11.376 -13.515 146 HA ALA 29 HA ALA 29 -2.839 12.524 -13.886 147 1HB ALA 29 1HB ALA 29 -2.443 11.423 -11.208 148 2HB ALA 29 2HB ALA 29 -2.821 13.145 -11.182 149 3HB ALA 29 3HB ALA 29 -3.918 12.014 -11.973 150 HA PRO 30 HA PRO 30 -0.021 15.858 -12.075 151 1HB PRO 30 1HB PRO 30 1.979 15.138 -10.328 152 2HB PRO 30 2HB PRO 30 0.324 15.504 -9.813 153 1HG PRO 30 1HG PRO 30 1.684 12.862 -9.998 154 2HG PRO 30 2HG PRO 30 0.317 13.352 -8.984 155 1HD PRO 30 1HD PRO 30 0.172 11.843 -11.389 156 2HD PRO 30 2HD PRO 30 -1.187 12.558 -10.500 157 H LEU 31 H LEU 31 0.533 15.021 -14.409 158 HA LEU 31 HA LEU 31 2.355 13.731 -15.656 159 1HB LEU 31 1HB LEU 31 1.657 16.496 -15.894 160 2HB LEU 31 2HB LEU 31 3.366 16.297 -16.289 161 HG LEU 31 HG LEU 31 2.609 14.285 -17.716 162 1HD1 LEU 31 1HD1 LEU 31 0.114 15.086 -16.606 163 2HD1 LEU 31 2HD1 LEU 31 0.054 15.443 -18.332 164 3HD1 LEU 31 3HD1 LEU 31 0.411 13.806 -17.782 165 1HD2 LEU 31 1HD2 LEU 31 2.898 17.030 -18.245 166 2HD2 LEU 31 2HD2 LEU 31 2.947 15.720 -19.424 167 3HD2 LEU 31 3HD2 LEU 31 1.429 16.553 -19.095 168 HA PRO 32 HA PRO 32 6.471 15.376 -14.067 169 1HB PRO 32 1HB PRO 32 6.536 17.578 -12.431 170 2HB PRO 32 2HB PRO 32 6.561 17.674 -14.201 171 1HG PRO 32 1HG PRO 32 4.326 18.277 -12.321 172 2HG PRO 32 2HG PRO 32 4.632 18.919 -13.942 173 1HD PRO 32 1HD PRO 32 2.762 16.895 -13.280 174 2HD PRO 32 2HD PRO 32 3.305 17.330 -14.912 175 H VAL 33 H VAL 33 6.012 13.371 -12.725 176 HA VAL 33 HA VAL 33 5.618 13.991 -9.827 177 HB VAL 33 HB VAL 33 5.546 11.239 -11.078 178 1HG1 VAL 33 1HG1 VAL 33 5.802 11.602 -8.560 179 2HG1 VAL 33 2HG1 VAL 33 4.184 12.304 -8.591 180 3HG1 VAL 33 3HG1 VAL 33 4.425 10.618 -9.057 181 1HG2 VAL 33 1HG2 VAL 33 3.329 13.268 -10.721 182 2HG2 VAL 33 2HG2 VAL 33 3.840 12.496 -12.225 183 3HG2 VAL 33 3HG2 VAL 33 3.034 11.547 -10.975 184 H THR 34 H THR 34 7.177 13.353 -8.333 185 HA THR 34 HA THR 34 9.704 12.275 -9.499 186 HB THR 34 HB THR 34 10.015 14.588 -8.818 187 HG1 THR 34 HG1 THR 34 11.837 13.724 -8.227 188 1HG2 THR 34 1HG2 THR 34 8.271 13.757 -6.656 189 2HG2 THR 34 2HG2 THR 34 9.719 14.541 -6.027 190 3HG2 THR 34 3HG2 THR 34 8.690 15.387 -7.184 191 H ALA 35 H ALA 35 7.234 11.741 -7.196 192 HA ALA 35 HA ALA 35 8.368 9.229 -6.397 193 1HB ALA 35 1HB ALA 35 8.905 11.631 -4.769 194 2HB ALA 35 2HB ALA 35 8.346 10.219 -3.870 195 3HB ALA 35 3HB ALA 35 9.801 10.114 -4.863 196 H THR 36 H THR 36 6.860 7.970 -5.266 197 HA THR 36 HA THR 36 4.380 9.286 -4.293 198 HB THR 36 HB THR 36 3.323 8.667 -6.215 199 HG1 THR 36 HG1 THR 36 2.447 6.628 -6.026 200 1HG2 THR 36 1HG2 THR 36 5.692 6.883 -6.577 201 2HG2 THR 36 2HG2 THR 36 4.240 6.589 -7.535 202 3HG2 THR 36 3HG2 THR 36 5.063 8.144 -7.638 203 H ARG 37 H ARG 37 3.600 8.251 -2.473 204 HA ARG 37 HA ARG 37 5.176 5.925 -1.549 205 1HB ARG 37 1HB ARG 37 3.041 7.252 0.093 206 2HB ARG 37 2HB ARG 37 4.532 6.476 0.625 207 1HG ARG 37 1HG ARG 37 5.740 8.365 -0.676 208 2HG ARG 37 2HG ARG 37 4.181 9.190 -0.642 209 1HD ARG 37 1HD ARG 37 5.470 8.090 1.860 210 2HD ARG 37 2HD ARG 37 5.785 9.727 1.282 211 HE ARG 37 HE ARG 37 3.012 8.794 1.907 212 1HH1 ARG 37 1HH1 ARG 37 4.194 11.530 0.754 213 2HH1 ARG 37 2HH1 ARG 37 3.911 12.535 2.136 214 1HH2 ARG 37 1HH2 ARG 37 3.248 9.876 4.262 215 2HH2 ARG 37 2HH2 ARG 37 3.374 11.597 4.124 216 H TRP 38 H TRP 38 4.372 3.987 -2.153 217 HA TRP 38 HA TRP 38 1.446 3.677 -2.604 218 1HB TRP 38 1HB TRP 38 3.683 1.688 -3.029 219 2HB TRP 38 2HB TRP 38 2.011 1.490 -3.525 220 HD1 TRP 38 HD1 TRP 38 4.681 4.257 -4.062 221 HE1 TRP 38 HE1 TRP 38 4.650 4.883 -6.561 222 HE3 TRP 38 HE3 TRP 38 0.980 1.150 -5.697 223 HZ2 TRP 38 HZ2 TRP 38 3.244 4.161 -8.941 224 HZ3 TRP 38 HZ3 TRP 38 0.309 1.146 -8.077 225 HH2 TRP 38 HH2 TRP 38 1.434 2.643 -9.702 226 H ASP 39 H ASP 39 0.823 1.273 -1.923 227 HA ASP 39 HA ASP 39 1.938 0.482 0.660 228 1HB ASP 39 1HB ASP 39 -0.426 2.108 0.535 229 2HB ASP 39 2HB ASP 39 -0.898 0.485 1.042 230 H PHE 40 H PHE 40 2.373 -1.573 -0.059 231 HA PHE 40 HA PHE 40 0.537 -2.875 -1.922 232 1HB PHE 40 1HB PHE 40 2.809 -4.214 -0.449 233 2HB PHE 40 2HB PHE 40 2.051 -4.702 -1.959 234 HD1 PHE 40 HD1 PHE 40 1.979 -1.507 -2.739 235 HD2 PHE 40 HD2 PHE 40 4.971 -4.427 -1.718 236 HE1 PHE 40 HE1 PHE 40 3.669 -0.250 -4.049 237 HE2 PHE 40 HE2 PHE 40 6.652 -3.161 -3.023 238 HZ PHE 40 HZ PHE 40 6.000 -1.076 -4.193 239 H GLY 41 H GLY 41 1.738 -3.935 1.282 240 1HA GLY 41 1HA GLY 41 0.270 -4.662 3.072 241 2HA GLY 41 2HA GLY 41 -1.027 -4.859 1.889 242 H ASP 42 H ASP 42 1.905 -6.051 0.677 243 HA ASP 42 HA ASP 42 1.005 -8.825 1.145 244 1HB ASP 42 1HB ASP 42 3.066 -9.213 -0.479 245 2HB ASP 42 2HB ASP 42 1.524 -8.664 -1.123 246 H GLY 43 H GLY 43 4.352 -8.251 0.611 247 1HA GLY 43 1HA GLY 43 4.925 -9.196 3.335 248 2HA GLY 43 2HA GLY 43 6.104 -9.034 2.028 249 H SER 44 H SER 44 5.070 -6.336 1.317 250 HA SER 44 HA SER 44 6.204 -4.816 3.634 251 1HB SER 44 1HB SER 44 6.276 -3.671 0.881 252 2HB SER 44 2HB SER 44 7.430 -3.494 2.200 253 HG SER 44 HG SER 44 7.729 -5.893 1.782 254 H ALA 45 H ALA 45 4.878 -3.273 4.473 255 HA ALA 45 HA ALA 45 2.228 -2.885 3.298 256 1HB ALA 45 1HB ALA 45 3.591 -2.103 5.834 257 2HB ALA 45 2HB ALA 45 2.192 -1.158 5.320 258 3HB ALA 45 3HB ALA 45 2.031 -2.892 5.598 259 H GLU 46 H GLU 46 4.121 -0.299 4.683 260 HA GLU 46 HA GLU 46 3.273 1.677 2.830 261 1HB GLU 46 1HB GLU 46 5.001 1.535 5.116 262 2HB GLU 46 2HB GLU 46 5.830 2.419 3.833 263 1HG GLU 46 1HG GLU 46 3.275 3.432 3.675 264 2HG GLU 46 2HG GLU 46 3.474 3.191 5.411 265 H VAL 47 H VAL 47 4.498 2.749 1.143 266 HA VAL 47 HA VAL 47 6.782 1.189 0.027 267 HB VAL 47 HB VAL 47 4.331 2.057 -1.536 268 1HG1 VAL 47 1HG1 VAL 47 6.461 2.153 -2.799 269 2HG1 VAL 47 2HG1 VAL 47 6.774 0.471 -2.376 270 3HG1 VAL 47 3HG1 VAL 47 5.396 0.881 -3.394 271 1HG2 VAL 47 1HG2 VAL 47 4.521 -0.119 0.108 272 2HG2 VAL 47 2HG2 VAL 47 3.528 -0.066 -1.346 273 3HG2 VAL 47 3HG2 VAL 47 5.136 -0.786 -1.400 274 H ASP 48 H ASP 48 8.330 2.472 -0.874 275 HA ASP 48 HA ASP 48 7.683 5.367 -1.294 276 1HB ASP 48 1HB ASP 48 10.209 4.001 -0.328 277 2HB ASP 48 2HB ASP 48 10.221 5.649 -0.956 278 H ALA 49 H ALA 49 7.145 5.103 -3.498 279 HA ALA 49 HA ALA 49 9.091 3.727 -5.257 280 1HB ALA 49 1HB ALA 49 6.398 3.701 -5.253 281 2HB ALA 49 2HB ALA 49 6.677 5.013 -6.399 282 3HB ALA 49 3HB ALA 49 7.360 3.413 -6.701 283 H ALA 50 H ALA 50 10.050 4.715 -7.057 284 HA ALA 50 HA ALA 50 10.586 7.590 -6.756 285 1HB ALA 50 1HB ALA 50 12.355 5.848 -7.340 286 2HB ALA 50 2HB ALA 50 11.594 5.733 -8.927 287 3HB ALA 50 3HB ALA 50 12.306 7.258 -8.399 288 H GLY 51 H GLY 51 10.025 9.166 -8.329 289 1HA GLY 51 1HA GLY 51 8.490 10.157 -9.818 290 2HA GLY 51 2HA GLY 51 8.907 8.795 -10.865 291 HA PRO 52 HA PRO 52 4.564 8.073 -9.648 292 1HB PRO 52 1HB PRO 52 3.574 7.934 -12.200 293 2HB PRO 52 2HB PRO 52 3.715 9.453 -11.300 294 1HG PRO 52 1HG PRO 52 5.334 8.486 -13.590 295 2HG PRO 52 2HG PRO 52 5.097 10.139 -13.005 296 1HD PRO 52 1HD PRO 52 7.378 8.450 -12.536 297 2HD PRO 52 2HD PRO 52 7.080 10.065 -11.857 298 H ALA 53 H ALA 53 6.761 6.068 -9.846 299 HA ALA 53 HA ALA 53 5.123 3.872 -11.013 300 1HB ALA 53 1HB ALA 53 7.590 4.904 -12.141 301 2HB ALA 53 2HB ALA 53 7.730 3.193 -11.737 302 3HB ALA 53 3HB ALA 53 6.449 3.742 -12.817 303 H ALA 54 H ALA 54 5.311 1.935 -9.981 304 HA ALA 54 HA ALA 54 7.490 1.479 -8.025 305 1HB ALA 54 1HB ALA 54 5.539 2.590 -6.822 306 2HB ALA 54 2HB ALA 54 4.579 1.171 -7.233 307 3HB ALA 54 3HB ALA 54 5.994 1.008 -6.192 308 H SER 55 H SER 55 6.480 -0.839 -6.900 309 HA SER 55 HA SER 55 5.424 -2.588 -9.002 310 1HB SER 55 1HB SER 55 7.275 -3.873 -9.417 311 2HB SER 55 2HB SER 55 8.020 -2.290 -9.248 312 HG SER 55 HG SER 55 8.462 -2.818 -7.071 313 H HIS 56 H HIS 56 4.344 -4.289 -8.079 314 HA HIS 56 HA HIS 56 4.403 -4.403 -5.105 315 1HB HIS 56 1HB HIS 56 2.427 -5.053 -7.229 316 2HB HIS 56 2HB HIS 56 2.353 -5.992 -5.741 317 HD1 HIS 56 HD1 HIS 56 2.611 -2.297 -6.706 318 HD2 HIS 56 HD2 HIS 56 0.922 -4.733 -3.785 319 HE1 HIS 56 HE1 HIS 56 1.259 -0.777 -5.186 320 H ARG 57 H ARG 57 5.201 -6.137 -4.029 321 HA ARG 57 HA ARG 57 6.124 -8.470 -5.631 322 1HB ARG 57 1HB ARG 57 7.379 -9.088 -3.563 323 2HB ARG 57 2HB ARG 57 7.816 -7.491 -4.165 324 1HG ARG 57 1HG ARG 57 5.746 -6.869 -2.481 325 2HG ARG 57 2HG ARG 57 6.459 -8.253 -1.654 326 1HD ARG 57 1HD ARG 57 7.521 -6.174 -0.902 327 2HD ARG 57 2HD ARG 57 8.681 -7.173 -1.776 328 HE ARG 57 HE ARG 57 7.265 -5.122 -3.364 329 1HH1 ARG 57 1HH1 ARG 57 9.596 -4.924 -1.007 330 2HH1 ARG 57 2HH1 ARG 57 10.860 -4.333 -2.032 331 1HH2 ARG 57 1HH2 ARG 57 9.096 -4.877 -4.969 332 2HH2 ARG 57 2HH2 ARG 57 10.577 -4.305 -4.275 333 H TYR 58 H TYR 58 4.218 -9.669 -5.901 334 HA TYR 58 HA TYR 58 2.653 -10.309 -3.452 335 1HB TYR 58 1HB TYR 58 2.090 -10.551 -6.413 336 2HB TYR 58 2HB TYR 58 1.044 -11.290 -5.203 337 HD1 TYR 58 HD1 TYR 58 1.082 -9.434 -3.007 338 HD2 TYR 58 HD2 TYR 58 0.945 -8.662 -7.226 339 HE1 TYR 58 HE1 TYR 58 -0.057 -7.286 -2.570 340 HE2 TYR 58 HE2 TYR 58 -0.197 -6.504 -6.786 341 HH TYR 58 HH TYR 58 -0.963 -5.502 -3.442 342 H VAL 59 H VAL 59 3.605 -11.989 -2.402 343 HA VAL 59 HA VAL 59 4.560 -14.298 -4.029 344 HB VAL 59 HB VAL 59 5.891 -14.916 -2.069 345 1HG1 VAL 59 1HG1 VAL 59 6.103 -11.993 -2.855 346 2HG1 VAL 59 2HG1 VAL 59 7.360 -12.892 -2.005 347 3HG1 VAL 59 3HG1 VAL 59 6.901 -13.355 -3.644 348 1HG2 VAL 59 1HG2 VAL 59 4.218 -14.021 -0.400 349 2HG2 VAL 59 2HG2 VAL 59 5.887 -13.569 -0.057 350 3HG2 VAL 59 3HG2 VAL 59 4.789 -12.397 -0.786 351 H LEU 60 H LEU 60 1.924 -13.404 -2.029 352 HA LEU 60 HA LEU 60 1.488 -16.259 -1.266 353 1HB LEU 60 1HB LEU 60 1.190 -13.911 0.207 354 2HB LEU 60 2HB LEU 60 -0.461 -14.345 -0.236 355 HG LEU 60 HG LEU 60 0.987 -16.712 0.546 356 1HD1 LEU 60 1HD1 LEU 60 1.071 -14.348 2.430 357 2HD1 LEU 60 2HD1 LEU 60 1.169 -16.014 2.999 358 3HD1 LEU 60 3HD1 LEU 60 2.411 -15.376 1.921 359 1HD2 LEU 60 1HD2 LEU 60 -1.538 -16.097 0.522 360 2HD2 LEU 60 2HD2 LEU 60 -0.939 -17.072 1.864 361 3HD2 LEU 60 3HD2 LEU 60 -1.218 -15.345 2.085 362 HA PRO 61 HA PRO 61 -1.657 -16.503 -4.327 363 1HB PRO 61 1HB PRO 61 -2.934 -18.730 -3.342 364 2HB PRO 61 2HB PRO 61 -1.388 -18.786 -4.205 365 1HG PRO 61 1HG PRO 61 -1.920 -19.100 -1.288 366 2HG PRO 61 2HG PRO 61 -0.591 -19.749 -2.262 367 1HD PRO 61 1HD PRO 61 -0.443 -17.501 -0.558 368 2HD PRO 61 2HD PRO 61 0.755 -17.957 -1.787 369 H GLY 62 H GLY 62 -3.470 -15.237 -4.413 370 1HA GLY 62 1HA GLY 62 -5.890 -15.453 -3.249 371 2HA GLY 62 2HA GLY 62 -4.985 -14.697 -1.936 372 H ARG 63 H ARG 63 -5.973 -12.664 -2.001 373 HA ARG 63 HA ARG 63 -5.476 -11.098 -4.501 374 1HB ARG 63 1HB ARG 63 -7.846 -10.717 -2.654 375 2HB ARG 63 2HB ARG 63 -7.575 -9.948 -4.217 376 1HG ARG 63 1HG ARG 63 -8.920 -11.639 -4.969 377 2HG ARG 63 2HG ARG 63 -7.412 -12.551 -4.951 378 1HD ARG 63 1HD ARG 63 -9.186 -13.805 -3.792 379 2HD ARG 63 2HD ARG 63 -7.921 -13.336 -2.659 380 HE ARG 63 HE ARG 63 -9.527 -11.353 -2.137 381 1HH1 ARG 63 1HH1 ARG 63 -11.667 -12.468 -3.972 382 2HH1 ARG 63 2HH1 ARG 63 -12.679 -13.309 -2.846 383 1HH2 ARG 63 1HH2 ARG 63 -10.308 -13.312 -0.315 384 2HH2 ARG 63 2HH2 ARG 63 -11.909 -13.788 -0.774 385 H TYR 64 H TYR 64 -5.170 -8.773 -4.101 386 HA TYR 64 HA TYR 64 -4.440 -8.111 -1.277 387 1HB TYR 64 1HB TYR 64 -2.778 -7.560 -3.749 388 2HB TYR 64 2HB TYR 64 -2.445 -6.896 -2.155 389 HD1 TYR 64 HD1 TYR 64 -2.586 -10.007 -4.163 390 HD2 TYR 64 HD2 TYR 64 -1.429 -8.219 -0.429 391 HE1 TYR 64 HE1 TYR 64 -1.247 -12.019 -3.612 392 HE2 TYR 64 HE2 TYR 64 -0.085 -10.229 0.116 393 HH TYR 64 HH TYR 64 0.843 -12.107 -0.768 394 H HIS 65 H HIS 65 -4.485 -5.807 -0.841 395 HA HIS 65 HA HIS 65 -6.090 -4.266 -2.842 396 1HB HIS 65 1HB HIS 65 -7.234 -4.649 -0.657 397 2HB HIS 65 2HB HIS 65 -5.900 -3.830 0.158 398 HD1 HIS 65 HD1 HIS 65 -9.129 -3.156 -1.286 399 HD2 HIS 65 HD2 HIS 65 -5.551 -1.041 -1.011 400 HE1 HIS 65 HE1 HIS 65 -9.692 -0.727 -1.732 401 H VAL 66 H VAL 66 -4.774 -2.868 -3.908 402 HA VAL 66 HA VAL 66 -2.302 -1.915 -2.585 403 HB VAL 66 HB VAL 66 -3.286 -1.552 -5.427 404 1HG1 VAL 66 1HG1 VAL 66 -0.656 -0.909 -4.061 405 2HG1 VAL 66 2HG1 VAL 66 -0.867 -0.953 -5.814 406 3HG1 VAL 66 3HG1 VAL 66 -1.758 0.224 -4.850 407 1HG2 VAL 66 1HG2 VAL 66 -1.600 -3.599 -4.046 408 2HG2 VAL 66 2HG2 VAL 66 -2.806 -3.816 -5.315 409 3HG2 VAL 66 3HG2 VAL 66 -1.216 -3.163 -5.712 410 H THR 67 H THR 67 -1.801 0.301 -2.398 411 HA THR 67 HA THR 67 -3.882 2.296 -3.051 412 HB THR 67 HB THR 67 -4.308 3.012 -0.901 413 HG1 THR 67 HG1 THR 67 -2.785 3.150 0.611 414 1HG2 THR 67 1HG2 THR 67 -3.415 0.161 -0.388 415 2HG2 THR 67 2HG2 THR 67 -4.465 1.110 0.663 416 3HG2 THR 67 3HG2 THR 67 -5.012 0.659 -0.952 417 H ALA 68 H ALA 68 -2.915 4.522 -2.986 418 HA ALA 68 HA ALA 68 -0.002 4.633 -2.571 419 1HB ALA 68 1HB ALA 68 -0.807 3.859 -5.060 420 2HB ALA 68 2HB ALA 68 -0.731 5.611 -5.261 421 3HB ALA 68 3HB ALA 68 0.697 4.717 -4.732 422 H VAL 69 H VAL 69 0.863 6.813 -2.962 423 HA VAL 69 HA VAL 69 -1.152 8.975 -3.031 424 HB VAL 69 HB VAL 69 -0.660 8.348 -0.603 425 1HG1 VAL 69 1HG1 VAL 69 1.864 8.037 -1.251 426 2HG1 VAL 69 2HG1 VAL 69 1.953 9.779 -0.993 427 3HG1 VAL 69 3HG1 VAL 69 1.451 8.716 0.322 428 1HG2 VAL 69 1HG2 VAL 69 -0.801 10.887 -1.916 429 2HG2 VAL 69 2HG2 VAL 69 -1.345 10.468 -0.291 430 3HG2 VAL 69 3HG2 VAL 69 0.305 11.034 -0.550 431 H LEU 70 H LEU 70 -0.407 10.526 -4.397 432 HA LEU 70 HA LEU 70 2.349 10.275 -5.415 433 1HB LEU 70 1HB LEU 70 0.057 12.108 -6.179 434 2HB LEU 70 2HB LEU 70 1.636 12.139 -6.951 435 HG LEU 70 HG LEU 70 -0.496 10.637 -7.801 436 1HD1 LEU 70 1HD1 LEU 70 2.098 11.175 -8.538 437 2HD1 LEU 70 2HD1 LEU 70 2.091 9.417 -8.400 438 3HD1 LEU 70 3HD1 LEU 70 0.943 10.223 -9.471 439 1HD2 LEU 70 1HD2 LEU 70 1.321 8.858 -6.150 440 2HD2 LEU 70 2HD2 LEU 70 -0.420 9.076 -5.956 441 3HD2 LEU 70 3HD2 LEU 70 0.212 8.264 -7.386 442 H ALA 71 H ALA 71 3.968 11.849 -5.086 443 HA ALA 71 HA ALA 71 3.130 14.176 -3.427 444 1HB ALA 71 1HB ALA 71 5.576 12.480 -2.957 445 2HB ALA 71 2HB ALA 71 5.239 14.029 -2.180 446 3HB ALA 71 3HB ALA 71 4.179 12.645 -1.890 447 H LEU 72 H LEU 72 3.364 15.747 -4.771 448 HA LEU 72 HA LEU 72 5.793 15.938 -6.488 449 1HB LEU 72 1HB LEU 72 3.042 16.469 -6.903 450 2HB LEU 72 2HB LEU 72 3.864 18.025 -6.902 451 HG LEU 72 HG LEU 72 4.418 15.633 -8.678 452 1HD1 LEU 72 1HD1 LEU 72 3.030 18.162 -8.935 453 2HD1 LEU 72 2HD1 LEU 72 4.373 18.086 -10.075 454 3HD1 LEU 72 3HD1 LEU 72 3.134 16.832 -10.089 455 1HD2 LEU 72 1HD2 LEU 72 6.222 17.775 -7.730 456 2HD2 LEU 72 2HD2 LEU 72 6.614 16.223 -8.471 457 3HD2 LEU 72 3HD2 LEU 72 6.168 17.598 -9.482 458 H GLY 73 H GLY 73 4.436 17.038 -3.618 459 1HA GLY 73 1HA GLY 73 5.744 18.473 -2.113 460 2HA GLY 73 2HA GLY 73 6.315 19.357 -3.535 461 H ALA 74 H ALA 74 4.024 19.788 -4.946 462 HA ALA 74 HA ALA 74 2.343 21.390 -3.065 463 1HB ALA 74 1HB ALA 74 3.743 22.726 -4.666 464 2HB ALA 74 2HB ALA 74 2.878 21.950 -5.992 465 3HB ALA 74 3HB ALA 74 2.010 22.989 -4.861 466 H GLY 75 H GLY 75 2.340 18.707 -5.080 467 1HA GLY 75 1HA GLY 75 -0.629 18.756 -5.190 468 2HA GLY 75 2HA GLY 75 0.260 18.436 -6.680 469 H SER 76 H SER 76 -1.538 16.580 -5.383 470 HA SER 76 HA SER 76 0.332 14.299 -5.078 471 1HB SER 76 1HB SER 76 -0.437 13.668 -2.936 472 2HB SER 76 2HB SER 76 -0.254 15.415 -2.800 473 HG SER 76 HG SER 76 -2.305 14.466 -2.050 474 H ALA 77 H ALA 77 -1.248 12.264 -4.627 475 HA ALA 77 HA ALA 77 -3.877 12.473 -5.895 476 1HB ALA 77 1HB ALA 77 -1.672 12.054 -7.573 477 2HB ALA 77 2HB ALA 77 -2.355 10.446 -7.331 478 3HB ALA 77 3HB ALA 77 -3.362 11.745 -7.972 479 H LEU 78 H LEU 78 -5.162 10.695 -5.270 480 HA LEU 78 HA LEU 78 -3.821 8.803 -3.407 481 1HB LEU 78 1HB LEU 78 -6.547 9.948 -3.648 482 2HB LEU 78 2HB LEU 78 -6.457 8.275 -3.096 483 HG LEU 78 HG LEU 78 -6.378 9.982 -1.237 484 1HD1 LEU 78 1HD1 LEU 78 -3.938 8.220 -1.618 485 2HD1 LEU 78 2HD1 LEU 78 -4.462 8.907 -0.080 486 3HD1 LEU 78 3HD1 LEU 78 -5.476 7.725 -0.909 487 1HD2 LEU 78 1HD2 LEU 78 -4.888 11.525 -2.712 488 2HD2 LEU 78 2HD2 LEU 78 -4.524 11.420 -0.989 489 3HD2 LEU 78 3HD2 LEU 78 -3.553 10.517 -2.151 490 H LEU 79 H LEU 79 -3.700 6.642 -3.824 491 HA LEU 79 HA LEU 79 -5.059 5.668 -6.293 492 1HB LEU 79 1HB LEU 79 -2.301 5.731 -5.596 493 2HB LEU 79 2HB LEU 79 -2.799 4.047 -5.539 494 HG LEU 79 HG LEU 79 -2.128 5.522 -7.820 495 1HD1 LEU 79 1HD1 LEU 79 -3.579 2.895 -7.456 496 2HD1 LEU 79 2HD1 LEU 79 -2.880 3.428 -8.984 497 3HD1 LEU 79 3HD1 LEU 79 -1.837 3.135 -7.593 498 1HD2 LEU 79 1HD2 LEU 79 -4.385 6.549 -7.754 499 2HD2 LEU 79 2HD2 LEU 79 -4.162 5.520 -9.171 500 3HD2 LEU 79 3HD2 LEU 79 -5.097 4.933 -7.794 501 H GLY 80 H GLY 80 -5.684 3.427 -6.277 502 1HA GLY 80 1HA GLY 80 -5.581 1.854 -3.850 503 2HA GLY 80 2HA GLY 80 -7.174 2.562 -4.107 504 H THR 81 H THR 81 -4.827 0.256 -5.390 505 HA THR 81 HA THR 81 -6.872 -0.621 -7.389 506 HB THR 81 HB THR 81 -5.188 -1.125 -8.822 507 HG1 THR 81 HG1 THR 81 -3.881 -2.655 -8.277 508 1HG2 THR 81 1HG2 THR 81 -4.541 1.124 -7.726 509 2HG2 THR 81 2HG2 THR 81 -3.283 0.202 -6.902 510 3HG2 THR 81 3HG2 THR 81 -3.306 0.283 -8.664 511 H ASP 82 H ASP 82 -6.244 -3.200 -7.824 512 HA ASP 82 HA ASP 82 -6.035 -4.653 -5.261 513 1HB ASP 82 1HB ASP 82 -8.452 -4.098 -5.477 514 2HB ASP 82 2HB ASP 82 -8.475 -4.882 -7.057 515 H VAL 83 H VAL 83 -5.351 -6.851 -5.633 516 HA VAL 83 HA VAL 83 -5.021 -7.592 -8.508 517 HB VAL 83 HB VAL 83 -2.781 -7.443 -8.298 518 1HG1 VAL 83 1HG1 VAL 83 -3.596 -6.251 -5.855 519 2HG1 VAL 83 2HG1 VAL 83 -2.290 -7.376 -5.460 520 3HG1 VAL 83 3HG1 VAL 83 -2.035 -6.102 -6.651 521 1HG2 VAL 83 1HG2 VAL 83 -3.172 -9.477 -6.091 522 2HG2 VAL 83 2HG2 VAL 83 -2.951 -9.835 -7.805 523 3HG2 VAL 83 3HG2 VAL 83 -1.634 -9.122 -6.877 524 H GLN 84 H GLN 84 -4.829 -9.916 -8.866 525 HA GLN 84 HA GLN 84 -5.841 -11.584 -6.604 526 1HB GLN 84 1HB GLN 84 -6.706 -12.058 -9.452 527 2HB GLN 84 2HB GLN 84 -7.479 -12.595 -7.958 528 1HG GLN 84 1HG GLN 84 -7.868 -10.121 -7.438 529 2HG GLN 84 2HG GLN 84 -7.412 -9.801 -9.111 530 1HE2 GLN 84 2HE2 GLN 84 -9.667 -11.920 -7.247 531 2HE2 GLN 84 1HE2 GLN 84 -10.909 -11.856 -8.402 532 H VAL 85 H VAL 85 -3.747 -12.467 -6.277 533 HA VAL 85 HA VAL 85 -2.320 -13.679 -8.546 534 HB VAL 85 HB VAL 85 -1.743 -13.406 -5.592 535 1HG1 VAL 85 1HG1 VAL 85 -0.929 -15.625 -6.689 536 2HG1 VAL 85 2HG1 VAL 85 0.190 -14.592 -7.579 537 3HG1 VAL 85 3HG1 VAL 85 0.250 -14.646 -5.817 538 1HG2 VAL 85 1HG2 VAL 85 -1.353 -11.780 -7.844 539 2HG2 VAL 85 2HG2 VAL 85 -0.622 -11.567 -6.253 540 3HG2 VAL 85 3HG2 VAL 85 0.233 -12.474 -7.503 541 H GLU 86 H GLU 86 -2.123 -15.894 -8.909 542 HA GLU 86 HA GLU 86 -3.984 -17.615 -7.323 543 1HB GLU 86 1HB GLU 86 -2.821 -18.319 -10.013 544 2HB GLU 86 2HB GLU 86 -4.292 -18.931 -9.259 545 1HG GLU 86 1HG GLU 86 -5.088 -16.448 -9.352 546 2HG GLU 86 2HG GLU 86 -3.811 -16.255 -10.553 547 H ALA 87 H ALA 87 -3.215 -20.041 -7.448 548 HA ALA 87 HA ALA 87 -0.260 -20.222 -7.115 549 1HB ALA 87 1HB ALA 87 -2.188 -20.328 -4.992 550 2HB ALA 87 2HB ALA 87 -1.463 -21.924 -5.176 551 3HB ALA 87 3HB ALA 87 -0.437 -20.518 -4.892 Start of MODEL 20 1 H ALA 8 H ALA 8 -3.871 9.748 -8.460 2 HA ALA 8 HA ALA 8 -3.653 10.336 -11.364 3 1HB ALA 8 1HB ALA 8 -1.906 8.851 -9.385 4 2HB ALA 8 2HB ALA 8 -1.633 8.760 -11.127 5 3HB ALA 8 3HB ALA 8 -1.524 10.311 -10.300 6 H THR 9 H THR 9 -3.650 8.527 -12.896 7 HA THR 9 HA THR 9 -5.784 6.659 -12.303 8 HB THR 9 HB THR 9 -5.111 7.726 -14.595 9 HG1 THR 9 HG1 THR 9 -5.720 5.416 -15.450 10 1HG2 THR 9 1HG2 THR 9 -2.776 6.599 -14.319 11 2HG2 THR 9 2HG2 THR 9 -3.605 5.147 -14.878 12 3HG2 THR 9 3HG2 THR 9 -3.548 6.579 -15.903 13 H LEU 10 H LEU 10 -5.626 4.417 -12.224 14 HA LEU 10 HA LEU 10 -3.183 3.413 -10.923 15 1HB LEU 10 1HB LEU 10 -5.870 2.120 -11.534 16 2HB LEU 10 2HB LEU 10 -4.589 1.368 -10.590 17 HG LEU 10 HG LEU 10 -4.714 3.338 -9.016 18 1HD1 LEU 10 1HD1 LEU 10 -7.095 3.965 -10.769 19 2HD1 LEU 10 2HD1 LEU 10 -6.965 4.556 -9.112 20 3HD1 LEU 10 3HD1 LEU 10 -5.771 5.038 -10.315 21 1HD2 LEU 10 1HD2 LEU 10 -6.005 1.041 -8.906 22 2HD2 LEU 10 2HD2 LEU 10 -6.382 2.326 -7.759 23 3HD2 LEU 10 3HD2 LEU 10 -7.420 2.063 -9.159 24 H VAL 11 H VAL 11 -1.577 2.870 -12.426 25 HA VAL 11 HA VAL 11 -2.450 1.088 -14.672 26 HB VAL 11 HB VAL 11 0.100 2.681 -14.741 27 1HG1 VAL 11 1HG1 VAL 11 -1.609 1.075 -16.560 28 2HG1 VAL 11 2HG1 VAL 11 -0.968 2.561 -17.260 29 3HG1 VAL 11 3HG1 VAL 11 0.132 1.347 -16.606 30 1HG2 VAL 11 1HG2 VAL 11 -2.717 3.627 -15.299 31 2HG2 VAL 11 2HG2 VAL 11 -1.450 4.438 -14.378 32 3HG2 VAL 11 3HG2 VAL 11 -1.336 4.335 -16.135 33 H GLY 12 H GLY 12 -2.111 -0.837 -13.456 34 1HA GLY 12 1HA GLY 12 0.714 -1.284 -12.585 35 2HA GLY 12 2HA GLY 12 -0.674 -2.089 -11.857 36 HA PRO 13 HA PRO 13 0.054 -4.011 -16.237 37 1HB PRO 13 1HB PRO 13 2.544 -3.529 -17.294 38 2HB PRO 13 2HB PRO 13 1.112 -2.546 -17.648 39 1HG PRO 13 1HG PRO 13 3.415 -1.936 -15.832 40 2HG PRO 13 2HG PRO 13 2.413 -0.828 -16.788 41 1HD PRO 13 1HD PRO 13 2.132 -1.240 -14.043 42 2HD PRO 13 2HD PRO 13 0.869 -0.586 -15.103 43 H HIS 14 H HIS 14 0.891 -6.059 -16.568 44 HA HIS 14 HA HIS 14 3.291 -7.207 -15.815 45 1HB HIS 14 1HB HIS 14 2.968 -6.646 -13.498 46 2HB HIS 14 2HB HIS 14 1.306 -7.232 -13.532 47 HD1 HIS 14 HD1 HIS 14 4.857 -8.390 -13.348 48 HD2 HIS 14 HD2 HIS 14 1.055 -10.087 -13.507 49 HE1 HIS 14 HE1 HIS 14 5.146 -10.844 -12.797 50 H GLY 15 H GLY 15 -0.178 -7.646 -15.680 51 1HA GLY 15 1HA GLY 15 -1.275 -9.206 -17.248 52 2HA GLY 15 2HA GLY 15 0.145 -10.249 -17.107 53 HA PRO 16 HA PRO 16 -2.657 -12.046 -14.053 54 1HB PRO 16 1HB PRO 16 -1.604 -14.569 -14.289 55 2HB PRO 16 2HB PRO 16 -2.869 -13.936 -15.356 56 1HG PRO 16 1HG PRO 16 0.030 -14.351 -15.928 57 2HG PRO 16 2HG PRO 16 -1.343 -14.336 -17.048 58 1HD PRO 16 1HD PRO 16 0.490 -12.213 -16.650 59 2HD PRO 16 2HD PRO 16 -1.069 -12.100 -17.496 60 H LEU 17 H LEU 17 -2.164 -12.591 -11.870 61 HA LEU 17 HA LEU 17 0.715 -12.269 -11.160 62 1HB LEU 17 1HB LEU 17 -1.610 -11.038 -10.158 63 2HB LEU 17 2HB LEU 17 -1.090 -12.158 -8.901 64 HG LEU 17 HG LEU 17 0.016 -10.019 -8.550 65 1HD1 LEU 17 1HD1 LEU 17 1.573 -12.404 -9.404 66 2HD1 LEU 17 2HD1 LEU 17 2.478 -10.899 -9.240 67 3HD1 LEU 17 3HD1 LEU 17 1.582 -11.545 -7.865 68 1HD2 LEU 17 1HD2 LEU 17 0.655 -10.325 -11.476 69 2HD2 LEU 17 2HD2 LEU 17 0.011 -8.923 -10.622 70 3HD2 LEU 17 3HD2 LEU 17 1.711 -9.360 -10.443 71 H ALA 18 H ALA 18 1.653 -14.237 -10.903 72 HA ALA 18 HA ALA 18 0.059 -16.484 -9.815 73 1HB ALA 18 1HB ALA 18 1.852 -16.525 -11.789 74 2HB ALA 18 2HB ALA 18 2.975 -16.727 -10.444 75 3HB ALA 18 3HB ALA 18 1.677 -17.895 -10.692 76 H SER 19 H SER 19 0.778 -17.623 -7.885 77 HA SER 19 HA SER 19 1.597 -15.931 -5.749 78 1HB SER 19 1HB SER 19 0.447 -17.956 -5.193 79 2HB SER 19 2HB SER 19 1.628 -18.941 -6.050 80 HG SER 19 HG SER 19 2.630 -17.270 -4.082 81 H GLY 20 H GLY 20 3.550 -14.938 -5.689 82 1HA GLY 20 1HA GLY 20 5.930 -15.166 -5.142 83 2HA GLY 20 2HA GLY 20 5.975 -16.612 -6.151 84 H GLN 21 H GLN 21 4.415 -13.561 -7.048 85 HA GLN 21 HA GLN 21 6.591 -13.106 -9.048 86 1HB GLN 21 1HB GLN 21 3.606 -13.036 -9.576 87 2HB GLN 21 2HB GLN 21 4.842 -12.525 -10.724 88 1HG GLN 21 1HG GLN 21 4.921 -15.278 -9.500 89 2HG GLN 21 2HG GLN 21 3.923 -14.947 -10.916 90 1HE2 GLN 21 2HE2 GLN 21 4.981 -14.686 -12.945 91 2HE2 GLN 21 1HE2 GLN 21 6.661 -14.822 -13.140 92 H LEU 22 H LEU 22 6.620 -10.844 -9.867 93 HA LEU 22 HA LEU 22 5.414 -8.967 -7.884 94 1HB LEU 22 1HB LEU 22 7.483 -8.181 -7.494 95 2HB LEU 22 2HB LEU 22 8.146 -9.334 -8.646 96 HG LEU 22 HG LEU 22 7.623 -7.687 -10.489 97 1HD1 LEU 22 1HD1 LEU 22 5.961 -6.457 -8.799 98 2HD1 LEU 22 2HD1 LEU 22 7.417 -5.548 -8.415 99 3HD1 LEU 22 3HD1 LEU 22 6.802 -5.565 -10.072 100 1HD2 LEU 22 1HD2 LEU 22 9.633 -7.481 -8.399 101 2HD2 LEU 22 2HD2 LEU 22 9.808 -7.267 -10.143 102 3HD2 LEU 22 3HD2 LEU 22 9.297 -5.910 -9.134 103 H ALA 23 H ALA 23 4.009 -7.538 -8.701 104 HA ALA 23 HA ALA 23 3.655 -7.351 -11.636 105 1HB ALA 23 1HB ALA 23 2.023 -6.894 -9.255 106 2HB ALA 23 2HB ALA 23 1.905 -5.570 -10.415 107 3HB ALA 23 3HB ALA 23 1.508 -7.221 -10.913 108 H ALA 24 H ALA 24 3.998 -5.303 -12.769 109 HA ALA 24 HA ALA 24 5.570 -3.400 -11.099 110 1HB ALA 24 1HB ALA 24 5.382 -3.827 -14.078 111 2HB ALA 24 2HB ALA 24 6.190 -2.430 -13.363 112 3HB ALA 24 3HB ALA 24 6.779 -4.060 -13.023 113 H PHE 25 H PHE 25 4.685 -1.481 -10.559 114 HA PHE 25 HA PHE 25 2.062 -0.808 -11.808 115 1HB PHE 25 1HB PHE 25 3.191 -0.314 -9.059 116 2HB PHE 25 2HB PHE 25 1.765 0.517 -9.660 117 HD1 PHE 25 HD1 PHE 25 3.110 -3.010 -9.496 118 HD2 PHE 25 HD2 PHE 25 -0.282 -0.366 -9.159 119 HE1 PHE 25 HE1 PHE 25 1.661 -4.920 -8.857 120 HE2 PHE 25 HE2 PHE 25 -1.716 -2.293 -8.533 121 HZ PHE 25 HZ PHE 25 -0.743 -4.568 -8.379 122 H HIS 26 H HIS 26 1.503 1.478 -11.885 123 HA HIS 26 HA HIS 26 3.481 3.541 -11.602 124 1HB HIS 26 1HB HIS 26 4.296 3.800 -13.699 125 2HB HIS 26 2HB HIS 26 3.791 2.136 -13.950 126 HD1 HIS 26 HD1 HIS 26 2.600 1.934 -16.107 127 HD2 HIS 26 HD2 HIS 26 1.785 5.570 -14.266 128 HE1 HIS 26 HE1 HIS 26 1.050 3.193 -17.665 129 H ILE 27 H ILE 27 2.402 5.526 -11.502 130 HA ILE 27 HA ILE 27 -0.552 5.362 -11.904 131 HB ILE 27 HB ILE 27 0.505 7.643 -10.350 132 1HG1 ILE 27 1HG1 ILE 27 1.796 5.248 -9.828 133 2HG1 ILE 27 2HG1 ILE 27 1.565 6.544 -8.659 134 1HG2 ILE 27 1HG2 ILE 27 -1.599 5.509 -9.886 135 2HG2 ILE 27 2HG2 ILE 27 -1.326 6.889 -8.819 136 3HG2 ILE 27 3HG2 ILE 27 -1.882 7.144 -10.479 137 1HD1 ILE 27 1HD1 ILE 27 -0.462 4.329 -9.113 138 2HD1 ILE 27 2HD1 ILE 27 0.790 4.275 -7.867 139 3HD1 ILE 27 3HD1 ILE 27 -0.439 5.529 -7.813 140 H ALA 28 H ALA 28 -1.626 7.268 -12.874 141 HA ALA 28 HA ALA 28 0.309 8.987 -14.402 142 1HB ALA 28 1HB ALA 28 -0.996 6.951 -15.577 143 2HB ALA 28 2HB ALA 28 -2.208 8.222 -15.759 144 3HB ALA 28 3HB ALA 28 -0.589 8.445 -16.424 145 H ALA 29 H ALA 29 -0.090 11.104 -14.129 146 HA ALA 29 HA ALA 29 -2.478 12.440 -14.613 147 1HB ALA 29 1HB ALA 29 -2.392 11.302 -11.897 148 2HB ALA 29 2HB ALA 29 -2.793 13.017 -11.957 149 3HB ALA 29 3HB ALA 29 -3.773 11.850 -12.845 150 HA PRO 30 HA PRO 30 0.287 15.525 -12.343 151 1HB PRO 30 1HB PRO 30 2.049 14.608 -10.439 152 2HB PRO 30 2HB PRO 30 0.379 15.081 -10.079 153 1HG PRO 30 1HG PRO 30 1.558 12.351 -10.260 154 2HG PRO 30 2HG PRO 30 0.157 12.909 -9.333 155 1HD PRO 30 1HD PRO 30 0.065 11.486 -11.770 156 2HD PRO 30 2HD PRO 30 -1.285 12.351 -11.008 157 H LEU 31 H LEU 31 1.118 15.090 -14.578 158 HA LEU 31 HA LEU 31 3.123 13.538 -15.519 159 1HB LEU 31 1HB LEU 31 3.491 16.482 -16.008 160 2HB LEU 31 2HB LEU 31 3.672 15.138 -17.126 161 HG LEU 31 HG LEU 31 1.057 16.174 -15.993 162 1HD1 LEU 31 1HD1 LEU 31 2.145 17.564 -17.768 163 2HD1 LEU 31 2HD1 LEU 31 2.122 16.157 -18.830 164 3HD1 LEU 31 3HD1 LEU 31 0.606 16.869 -18.278 165 1HD2 LEU 31 1HD2 LEU 31 1.377 13.612 -16.477 166 2HD2 LEU 31 2HD2 LEU 31 -0.044 14.432 -17.121 167 3HD2 LEU 31 3HD2 LEU 31 1.337 14.109 -18.168 168 HA PRO 32 HA PRO 32 6.727 15.914 -13.533 169 1HB PRO 32 1HB PRO 32 6.172 17.986 -11.821 170 2HB PRO 32 2HB PRO 32 6.364 18.182 -13.571 171 1HG PRO 32 1HG PRO 32 3.874 18.254 -11.942 172 2HG PRO 32 2HG PRO 32 4.205 18.990 -13.518 173 1HD PRO 32 1HD PRO 32 2.742 16.597 -13.044 174 2HD PRO 32 2HD PRO 32 3.279 17.219 -14.617 175 H VAL 33 H VAL 33 5.879 13.657 -12.338 176 HA VAL 33 HA VAL 33 5.429 14.123 -9.452 177 HB VAL 33 HB VAL 33 5.745 11.557 -11.035 178 1HG1 VAL 33 1HG1 VAL 33 5.224 12.094 -8.099 179 2HG1 VAL 33 2HG1 VAL 33 4.892 10.540 -8.867 180 3HG1 VAL 33 3HG1 VAL 33 6.543 11.155 -8.799 181 1HG2 VAL 33 1HG2 VAL 33 3.517 13.320 -10.374 182 2HG2 VAL 33 2HG2 VAL 33 3.569 11.959 -11.496 183 3HG2 VAL 33 3HG2 VAL 33 3.255 11.680 -9.783 184 H THR 34 H THR 34 6.932 13.542 -7.834 185 HA THR 34 HA THR 34 9.714 13.063 -8.800 186 HB THR 34 HB THR 34 10.511 14.382 -6.897 187 HG1 THR 34 HG1 THR 34 7.831 15.040 -6.340 188 1HG2 THR 34 1HG2 THR 34 8.333 15.747 -8.503 189 2HG2 THR 34 2HG2 THR 34 9.540 16.597 -7.539 190 3HG2 THR 34 3HG2 THR 34 10.041 15.631 -8.927 191 H ALA 35 H ALA 35 7.336 12.378 -6.333 192 HA ALA 35 HA ALA 35 8.602 9.777 -5.824 193 1HB ALA 35 1HB ALA 35 8.869 12.059 -3.990 194 2HB ALA 35 2HB ALA 35 8.189 10.623 -3.224 195 3HB ALA 35 3HB ALA 35 9.759 10.538 -4.024 196 H THR 36 H THR 36 7.119 8.302 -5.026 197 HA THR 36 HA THR 36 4.369 9.336 -4.467 198 HB THR 36 HB THR 36 4.176 8.436 -6.651 199 HG1 THR 36 HG1 THR 36 3.048 6.461 -6.269 200 1HG2 THR 36 1HG2 THR 36 6.467 7.383 -6.580 201 2HG2 THR 36 2HG2 THR 36 5.737 6.018 -5.738 202 3HG2 THR 36 3HG2 THR 36 5.235 6.407 -7.384 203 H ARG 37 H ARG 37 3.130 7.895 -3.053 204 HA ARG 37 HA ARG 37 4.885 6.062 -1.481 205 1HB ARG 37 1HB ARG 37 2.516 7.631 -0.435 206 2HB ARG 37 2HB ARG 37 3.655 6.674 0.512 207 1HG ARG 37 1HG ARG 37 5.491 8.187 -0.204 208 2HG ARG 37 2HG ARG 37 4.317 9.169 -1.082 209 1HD ARG 37 1HD ARG 37 4.808 10.110 1.162 210 2HD ARG 37 2HD ARG 37 3.115 9.644 1.000 211 HE ARG 37 HE ARG 37 3.595 7.672 2.385 212 1HH1 ARG 37 1HH1 ARG 37 6.656 8.275 1.576 213 2HH1 ARG 37 2HH1 ARG 37 7.286 8.508 3.171 214 1HH2 ARG 37 1HH2 ARG 37 4.163 8.715 4.663 215 2HH2 ARG 37 2HH2 ARG 37 5.875 8.757 4.920 216 H TRP 38 H TRP 38 4.288 4.090 -2.338 217 HA TRP 38 HA TRP 38 1.425 3.547 -2.836 218 1HB TRP 38 1HB TRP 38 3.797 1.689 -3.087 219 2HB TRP 38 2HB TRP 38 2.164 1.367 -3.643 220 HD1 TRP 38 HD1 TRP 38 4.850 4.106 -4.227 221 HE1 TRP 38 HE1 TRP 38 4.815 4.665 -6.750 222 HE3 TRP 38 HE3 TRP 38 1.035 1.095 -5.757 223 HZ2 TRP 38 HZ2 TRP 38 3.358 3.945 -9.098 224 HZ3 TRP 38 HZ3 TRP 38 0.335 1.051 -8.129 225 HH2 TRP 38 HH2 TRP 38 1.493 2.467 -9.802 226 H ASP 39 H ASP 39 0.819 1.213 -2.097 227 HA ASP 39 HA ASP 39 1.895 0.490 0.525 228 1HB ASP 39 1HB ASP 39 -0.538 2.029 0.269 229 2HB ASP 39 2HB ASP 39 -0.920 0.424 0.894 230 H PHE 40 H PHE 40 2.412 -1.551 -0.200 231 HA PHE 40 HA PHE 40 0.608 -2.955 -2.020 232 1HB PHE 40 1HB PHE 40 2.914 -4.215 -0.537 233 2HB PHE 40 2HB PHE 40 2.189 -4.712 -2.059 234 HD1 PHE 40 HD1 PHE 40 2.035 -1.540 -2.861 235 HD2 PHE 40 HD2 PHE 40 5.108 -4.336 -1.735 236 HE1 PHE 40 HE1 PHE 40 3.709 -0.228 -4.132 237 HE2 PHE 40 HE2 PHE 40 6.772 -3.016 -3.008 238 HZ PHE 40 HZ PHE 40 6.074 -0.966 -4.206 239 H GLY 41 H GLY 41 1.840 -3.825 1.232 240 1HA GLY 41 1HA GLY 41 0.445 -4.584 3.043 241 2HA GLY 41 2HA GLY 41 -0.875 -4.821 1.897 242 H ASP 42 H ASP 42 2.175 -5.982 0.824 243 HA ASP 42 HA ASP 42 1.279 -8.769 1.334 244 1HB ASP 42 1HB ASP 42 3.237 -9.179 -0.402 245 2HB ASP 42 2HB ASP 42 1.656 -8.654 -0.968 246 H GLY 43 H GLY 43 4.579 -8.258 0.576 247 1HA GLY 43 1HA GLY 43 5.344 -9.098 3.279 248 2HA GLY 43 2HA GLY 43 6.437 -8.903 1.903 249 H SER 44 H SER 44 5.015 -6.219 1.393 250 HA SER 44 HA SER 44 6.236 -4.652 3.618 251 1HB SER 44 1HB SER 44 6.422 -3.751 0.749 252 2HB SER 44 2HB SER 44 7.374 -3.223 2.133 253 HG SER 44 HG SER 44 7.529 -5.605 0.637 254 H ALA 45 H ALA 45 4.811 -3.173 4.406 255 HA ALA 45 HA ALA 45 2.231 -2.817 3.083 256 1HB ALA 45 1HB ALA 45 3.436 -1.978 5.685 257 2HB ALA 45 2HB ALA 45 2.003 -1.132 5.099 258 3HB ALA 45 3HB ALA 45 1.947 -2.872 5.382 259 H GLU 46 H GLU 46 3.958 -0.185 4.592 260 HA GLU 46 HA GLU 46 3.177 1.777 2.707 261 1HB GLU 46 1HB GLU 46 4.974 1.619 5.000 262 2HB GLU 46 2HB GLU 46 5.595 2.696 3.749 263 1HG GLU 46 1HG GLU 46 4.209 4.078 5.093 264 2HG GLU 46 2HG GLU 46 3.226 3.699 3.679 265 H VAL 47 H VAL 47 4.412 2.832 1.028 266 HA VAL 47 HA VAL 47 6.764 1.291 0.023 267 HB VAL 47 HB VAL 47 4.354 2.120 -1.616 268 1HG1 VAL 47 1HG1 VAL 47 6.534 2.235 -2.811 269 2HG1 VAL 47 2HG1 VAL 47 6.825 0.548 -2.390 270 3HG1 VAL 47 3HG1 VAL 47 5.479 0.974 -3.444 271 1HG2 VAL 47 1HG2 VAL 47 4.504 -0.031 0.041 272 2HG2 VAL 47 2HG2 VAL 47 3.589 -0.021 -1.463 273 3HG2 VAL 47 3HG2 VAL 47 5.212 -0.708 -1.423 274 H ASP 48 H ASP 48 8.389 2.674 -0.433 275 HA ASP 48 HA ASP 48 7.728 5.525 -1.032 276 1HB ASP 48 1HB ASP 48 9.906 4.158 0.417 277 2HB ASP 48 2HB ASP 48 10.465 5.405 -0.698 278 H ALA 49 H ALA 49 7.398 5.482 -3.261 279 HA ALA 49 HA ALA 49 9.526 4.184 -4.912 280 1HB ALA 49 1HB ALA 49 6.718 4.070 -5.041 281 2HB ALA 49 2HB ALA 49 7.230 5.041 -6.424 282 3HB ALA 49 3HB ALA 49 7.869 3.411 -6.203 283 H ALA 50 H ALA 50 9.938 5.303 -7.038 284 HA ALA 50 HA ALA 50 10.233 8.224 -6.556 285 1HB ALA 50 1HB ALA 50 12.039 6.312 -7.469 286 2HB ALA 50 2HB ALA 50 11.545 7.152 -8.939 287 3HB ALA 50 3HB ALA 50 12.236 8.060 -7.594 288 H GLY 51 H GLY 51 9.637 9.725 -8.230 289 1HA GLY 51 1HA GLY 51 8.026 10.541 -9.741 290 2HA GLY 51 2HA GLY 51 8.594 9.211 -10.754 291 HA PRO 52 HA PRO 52 4.300 8.108 -9.753 292 1HB PRO 52 1HB PRO 52 3.518 7.809 -12.363 293 2HB PRO 52 2HB PRO 52 3.482 9.365 -11.518 294 1HG PRO 52 1HG PRO 52 5.324 8.453 -13.655 295 2HG PRO 52 2HG PRO 52 4.948 10.102 -13.131 296 1HD PRO 52 1HD PRO 52 7.273 8.540 -12.453 297 2HD PRO 52 2HD PRO 52 6.863 10.173 -11.886 298 H ALA 53 H ALA 53 6.658 6.231 -9.744 299 HA ALA 53 HA ALA 53 5.216 3.928 -10.979 300 1HB ALA 53 1HB ALA 53 7.678 5.086 -11.964 301 2HB ALA 53 2HB ALA 53 7.903 3.394 -11.517 302 3HB ALA 53 3HB ALA 53 6.657 3.839 -12.683 303 H ALA 54 H ALA 54 5.776 1.869 -10.184 304 HA ALA 54 HA ALA 54 7.749 1.439 -8.105 305 1HB ALA 54 1HB ALA 54 5.983 2.629 -6.790 306 2HB ALA 54 2HB ALA 54 4.827 1.389 -7.275 307 3HB ALA 54 3HB ALA 54 6.203 0.962 -6.259 308 H SER 55 H SER 55 6.814 -0.865 -6.971 309 HA SER 55 HA SER 55 5.585 -2.550 -9.063 310 1HB SER 55 1HB SER 55 7.971 -3.854 -8.061 311 2HB SER 55 2HB SER 55 7.403 -3.654 -9.716 312 HG SER 55 HG SER 55 9.352 -2.348 -8.436 313 H HIS 56 H HIS 56 4.574 -4.373 -8.181 314 HA HIS 56 HA HIS 56 4.526 -4.424 -5.200 315 1HB HIS 56 1HB HIS 56 2.611 -5.088 -7.367 316 2HB HIS 56 2HB HIS 56 2.513 -6.050 -5.892 317 HD1 HIS 56 HD1 HIS 56 2.682 -2.358 -6.860 318 HD2 HIS 56 HD2 HIS 56 1.117 -4.813 -3.891 319 HE1 HIS 56 HE1 HIS 56 1.304 -0.868 -5.342 320 H ARG 57 H ARG 57 5.206 -6.167 -4.075 321 HA ARG 57 HA ARG 57 6.216 -8.516 -5.604 322 1HB ARG 57 1HB ARG 57 7.333 -9.072 -3.369 323 2HB ARG 57 2HB ARG 57 7.935 -7.637 -4.194 324 1HG ARG 57 1HG ARG 57 5.742 -6.831 -2.542 325 2HG ARG 57 2HG ARG 57 6.817 -7.830 -1.567 326 1HD ARG 57 1HD ARG 57 7.459 -5.424 -1.518 327 2HD ARG 57 2HD ARG 57 8.731 -6.447 -2.186 328 HE ARG 57 HE ARG 57 6.883 -4.827 -3.894 329 1HH1 ARG 57 2HH1 ARG 57 10.010 -4.886 -2.767 330 2HH1 ARG 57 1HH1 ARG 57 10.774 -4.871 -4.322 331 1HH2 ARG 57 1HH2 ARG 57 7.823 -5.386 -6.072 332 2HH2 ARG 57 2HH2 ARG 57 9.534 -5.151 -6.194 333 H TYR 58 H TYR 58 4.301 -9.725 -5.870 334 HA TYR 58 HA TYR 58 2.757 -10.347 -3.396 335 1HB TYR 58 1HB TYR 58 2.129 -10.549 -6.347 336 2HB TYR 58 2HB TYR 58 1.108 -11.305 -5.126 337 HD1 TYR 58 HD1 TYR 58 1.138 -9.505 -2.910 338 HD2 TYR 58 HD2 TYR 58 1.026 -8.622 -7.106 339 HE1 TYR 58 HE1 TYR 58 0.016 -7.356 -2.421 340 HE2 TYR 58 HE2 TYR 58 -0.099 -6.465 -6.618 341 HH TYR 58 HH TYR 58 -0.761 -5.481 -3.248 342 H VAL 59 H VAL 59 3.473 -12.149 -2.380 343 HA VAL 59 HA VAL 59 4.544 -14.366 -4.067 344 HB VAL 59 HB VAL 59 6.016 -13.243 -2.313 345 1HG1 VAL 59 1HG1 VAL 59 3.879 -13.501 -0.677 346 2HG1 VAL 59 2HG1 VAL 59 4.738 -14.986 -0.270 347 3HG1 VAL 59 3HG1 VAL 59 5.535 -13.423 -0.079 348 1HG2 VAL 59 1HG2 VAL 59 5.701 -15.971 -3.083 349 2HG2 VAL 59 2HG2 VAL 59 7.173 -15.160 -2.548 350 3HG2 VAL 59 3HG2 VAL 59 6.124 -15.949 -1.370 351 H LEU 60 H LEU 60 1.824 -13.571 -2.120 352 HA LEU 60 HA LEU 60 1.308 -16.491 -1.716 353 1HB LEU 60 1HB LEU 60 1.273 -14.455 0.164 354 2HB LEU 60 2HB LEU 60 -0.431 -14.654 -0.243 355 HG LEU 60 HG LEU 60 0.799 -17.245 -0.003 356 1HD1 LEU 60 1HD1 LEU 60 1.134 -15.383 2.369 357 2HD1 LEU 60 2HD1 LEU 60 1.332 -17.135 2.425 358 3HD1 LEU 60 3HD1 LEU 60 2.432 -16.153 1.459 359 1HD2 LEU 60 1HD2 LEU 60 -1.597 -15.876 0.647 360 2HD2 LEU 60 2HD2 LEU 60 -1.285 -17.607 0.775 361 3HD2 LEU 60 3HD2 LEU 60 -0.983 -16.553 2.156 362 HA PRO 61 HA PRO 61 -2.020 -16.041 -4.554 363 1HB PRO 61 1HB PRO 61 -3.397 -18.319 -3.863 364 2HB PRO 61 2HB PRO 61 -1.913 -18.328 -4.831 365 1HG PRO 61 1HG PRO 61 -2.294 -19.085 -1.970 366 2HG PRO 61 2HG PRO 61 -1.081 -19.653 -3.130 367 1HD PRO 61 1HD PRO 61 -0.650 -17.739 -1.101 368 2HD PRO 61 2HD PRO 61 0.424 -18.051 -2.479 369 H GLY 62 H GLY 62 -3.717 -14.646 -4.287 370 1HA GLY 62 1HA GLY 62 -6.046 -15.011 -2.858 371 2HA GLY 62 2HA GLY 62 -4.963 -14.273 -1.674 372 H ARG 63 H ARG 63 -6.396 -12.382 -1.691 373 HA ARG 63 HA ARG 63 -6.046 -10.717 -4.151 374 1HB ARG 63 1HB ARG 63 -8.211 -10.281 -2.096 375 2HB ARG 63 2HB ARG 63 -8.150 -9.714 -3.766 376 1HG ARG 63 1HG ARG 63 -9.434 -11.514 -4.250 377 2HG ARG 63 2HG ARG 63 -7.958 -12.459 -4.051 378 1HD ARG 63 1HD ARG 63 -8.471 -12.888 -1.725 379 2HD ARG 63 2HD ARG 63 -9.839 -11.778 -1.775 380 HE ARG 63 HE ARG 63 -10.907 -13.410 -3.382 381 1HH1 ARG 63 1HH2 ARG 63 -9.878 -14.381 -0.467 382 2HH1 ARG 63 2HH2 ARG 63 -9.593 -16.043 -0.861 383 1HH2 ARG 63 1HH1 ARG 63 -9.864 -15.551 -4.284 384 2HH2 ARG 63 2HH1 ARG 63 -9.586 -16.706 -3.024 385 H TYR 64 H TYR 64 -4.684 -9.040 -3.855 386 HA TYR 64 HA TYR 64 -4.186 -8.079 -1.072 387 1HB TYR 64 1HB TYR 64 -2.620 -7.701 -3.637 388 2HB TYR 64 2HB TYR 64 -2.189 -6.972 -2.096 389 HD1 TYR 64 HD1 TYR 64 -2.582 -10.182 -3.910 390 HD2 TYR 64 HD2 TYR 64 -1.114 -8.244 -0.364 391 HE1 TYR 64 HE1 TYR 64 -1.308 -12.223 -3.319 392 HE2 TYR 64 HE2 TYR 64 0.166 -10.284 0.221 393 HH TYR 64 HH TYR 64 0.786 -12.315 -0.432 394 H HIS 65 H HIS 65 -4.116 -5.752 -0.721 395 HA HIS 65 HA HIS 65 -5.798 -4.235 -2.675 396 1HB HIS 65 1HB HIS 65 -6.900 -4.448 -0.518 397 2HB HIS 65 2HB HIS 65 -5.453 -3.881 0.319 398 HD1 HIS 65 HD1 HIS 65 -8.100 -2.666 -2.114 399 HD2 HIS 65 HD2 HIS 65 -5.221 -1.100 0.461 400 HE1 HIS 65 HE1 HIS 65 -8.461 -0.159 -2.076 401 H VAL 66 H VAL 66 -4.707 -2.661 -3.754 402 HA VAL 66 HA VAL 66 -2.090 -1.749 -2.651 403 HB VAL 66 HB VAL 66 -3.203 -1.559 -5.461 404 1HG1 VAL 66 1HG1 VAL 66 -0.513 -0.840 -4.256 405 2HG1 VAL 66 2HG1 VAL 66 -0.804 -0.982 -5.994 406 3HG1 VAL 66 3HG1 VAL 66 -1.650 0.249 -5.058 407 1HG2 VAL 66 1HG2 VAL 66 -1.431 -3.515 -4.049 408 2HG2 VAL 66 2HG2 VAL 66 -2.711 -3.816 -5.223 409 3HG2 VAL 66 3HG2 VAL 66 -1.153 -3.186 -5.760 410 H THR 67 H THR 67 -1.593 0.490 -2.612 411 HA THR 67 HA THR 67 -3.687 2.439 -3.336 412 HB THR 67 HB THR 67 -4.232 3.136 -1.234 413 HG1 THR 67 HG1 THR 67 -2.716 3.502 0.306 414 1HG2 THR 67 1HG2 THR 67 -4.536 0.668 -1.121 415 2HG2 THR 67 2HG2 THR 67 -2.922 0.526 -0.426 416 3HG2 THR 67 3HG2 THR 67 -4.189 1.380 0.455 417 H ALA 68 H ALA 68 -2.761 4.690 -3.300 418 HA ALA 68 HA ALA 68 0.168 4.834 -2.940 419 1HB ALA 68 1HB ALA 68 -0.737 4.197 -5.448 420 2HB ALA 68 2HB ALA 68 -0.642 5.957 -5.543 421 3HB ALA 68 3HB ALA 68 0.788 5.016 -5.114 422 H VAL 69 H VAL 69 0.976 6.995 -2.907 423 HA VAL 69 HA VAL 69 -0.982 9.213 -3.016 424 HB VAL 69 HB VAL 69 0.757 9.555 -0.735 425 1HG1 VAL 69 1HG1 VAL 69 -1.456 10.676 -1.331 426 2HG1 VAL 69 2HG1 VAL 69 -2.246 9.200 -0.776 427 3HG1 VAL 69 3HG1 VAL 69 -1.284 10.162 0.347 428 1HG2 VAL 69 1HG2 VAL 69 -0.946 7.050 -0.789 429 2HG2 VAL 69 2HG2 VAL 69 0.785 7.161 -0.469 430 3HG2 VAL 69 3HG2 VAL 69 -0.371 7.799 0.700 431 H LEU 70 H LEU 70 0.114 10.321 -4.652 432 HA LEU 70 HA LEU 70 3.061 10.390 -4.557 433 1HB LEU 70 1HB LEU 70 1.820 12.161 -6.517 434 2HB LEU 70 2HB LEU 70 3.004 10.882 -6.756 435 HG LEU 70 HG LEU 70 0.010 10.510 -6.472 436 1HD1 LEU 70 1HD1 LEU 70 1.255 11.518 -8.587 437 2HD1 LEU 70 2HD1 LEU 70 1.624 9.818 -8.887 438 3HD1 LEU 70 3HD1 LEU 70 -0.055 10.351 -8.777 439 1HD2 LEU 70 1HD2 LEU 70 2.319 8.590 -6.767 440 2HD2 LEU 70 2HD2 LEU 70 0.952 8.499 -5.656 441 3HD2 LEU 70 3HD2 LEU 70 0.714 8.175 -7.375 442 H ALA 71 H ALA 71 4.286 12.317 -4.400 443 HA ALA 71 HA ALA 71 2.765 14.688 -3.419 444 1HB ALA 71 1HB ALA 71 5.314 13.542 -2.259 445 2HB ALA 71 2HB ALA 71 4.675 15.142 -1.872 446 3HB ALA 71 3HB ALA 71 3.752 13.697 -1.451 447 H LEU 72 H LEU 72 3.104 16.257 -4.811 448 HA LEU 72 HA LEU 72 5.657 16.363 -6.343 449 1HB LEU 72 1HB LEU 72 2.946 17.625 -6.785 450 2HB LEU 72 2HB LEU 72 4.354 17.960 -7.794 451 HG LEU 72 HG LEU 72 4.442 15.295 -7.936 452 1HD1 LEU 72 1HD1 LEU 72 1.546 15.963 -7.335 453 2HD1 LEU 72 2HD1 LEU 72 2.057 14.465 -8.112 454 3HD1 LEU 72 3HD1 LEU 72 2.583 14.828 -6.470 455 1HD2 LEU 72 1HD2 LEU 72 3.890 17.256 -9.674 456 2HD2 LEU 72 2HD2 LEU 72 3.660 15.558 -10.095 457 3HD2 LEU 72 3HD2 LEU 72 2.283 16.537 -9.589 458 H GLY 73 H GLY 73 3.975 17.810 -3.789 459 1HA GLY 73 1HA GLY 73 5.308 19.439 -2.421 460 2HA GLY 73 2HA GLY 73 5.712 20.242 -3.943 461 H ALA 74 H ALA 74 3.423 20.446 -5.283 462 HA ALA 74 HA ALA 74 1.592 21.915 -3.432 463 1HB ALA 74 1HB ALA 74 2.178 22.439 -6.359 464 2HB ALA 74 2HB ALA 74 1.040 23.350 -5.367 465 3HB ALA 74 3HB ALA 74 2.765 23.406 -5.006 466 H GLY 75 H GLY 75 1.845 19.189 -5.369 467 1HA GLY 75 1HA GLY 75 -1.115 18.951 -5.462 468 2HA GLY 75 2HA GLY 75 -0.201 18.661 -6.944 469 H SER 76 H SER 76 -1.791 16.660 -5.728 470 HA SER 76 HA SER 76 0.284 14.605 -5.241 471 1HB SER 76 1HB SER 76 -0.383 14.026 -3.099 472 2HB SER 76 2HB SER 76 -0.706 15.756 -3.036 473 HG SER 76 HG SER 76 -2.415 13.692 -2.848 474 H ALA 77 H ALA 77 -0.842 12.384 -5.120 475 HA ALA 77 HA ALA 77 -3.445 12.358 -6.546 476 1HB ALA 77 1HB ALA 77 -0.912 11.845 -7.783 477 2HB ALA 77 2HB ALA 77 -1.827 10.337 -7.725 478 3HB ALA 77 3HB ALA 77 -2.521 11.760 -8.504 479 H LEU 78 H LEU 78 -4.745 10.828 -5.664 480 HA LEU 78 HA LEU 78 -3.552 8.903 -3.754 481 1HB LEU 78 1HB LEU 78 -5.507 10.320 -3.085 482 2HB LEU 78 2HB LEU 78 -6.470 9.497 -4.312 483 HG LEU 78 HG LEU 78 -5.382 7.369 -2.985 484 1HD1 LEU 78 1HD1 LEU 78 -5.739 9.655 -1.041 485 2HD1 LEU 78 2HD1 LEU 78 -5.843 7.969 -0.531 486 3HD1 LEU 78 3HD1 LEU 78 -4.345 8.590 -1.225 487 1HD2 LEU 78 1HD2 LEU 78 -7.932 8.707 -3.206 488 2HD2 LEU 78 2HD2 LEU 78 -7.602 6.985 -3.010 489 3HD2 LEU 78 3HD2 LEU 78 -7.755 8.021 -1.591 490 H LEU 79 H LEU 79 -3.661 6.692 -4.021 491 HA LEU 79 HA LEU 79 -4.951 5.700 -6.522 492 1HB LEU 79 1HB LEU 79 -2.198 5.765 -5.862 493 2HB LEU 79 2HB LEU 79 -2.696 4.086 -5.722 494 HG LEU 79 HG LEU 79 -2.034 5.445 -8.064 495 1HD1 LEU 79 1HD1 LEU 79 -3.547 2.867 -7.612 496 2HD1 LEU 79 2HD1 LEU 79 -2.789 3.323 -9.138 497 3HD1 LEU 79 3HD1 LEU 79 -1.796 3.058 -7.704 498 1HD2 LEU 79 1HD2 LEU 79 -4.281 6.505 -8.007 499 2HD2 LEU 79 2HD2 LEU 79 -4.075 5.438 -9.397 500 3HD2 LEU 79 3HD2 LEU 79 -5.009 4.897 -8.001 501 H GLY 80 H GLY 80 -5.585 3.457 -6.438 502 1HA GLY 80 1HA GLY 80 -5.478 1.974 -3.948 503 2HA GLY 80 2HA GLY 80 -7.074 2.654 -4.252 504 H THR 81 H THR 81 -4.650 0.389 -5.496 505 HA THR 81 HA THR 81 -6.683 -0.625 -7.437 506 HB THR 81 HB THR 81 -4.989 -1.149 -8.846 507 HG1 THR 81 HG1 THR 81 -3.793 -2.734 -8.239 508 1HG2 THR 81 1HG2 THR 81 -4.300 1.114 -7.869 509 2HG2 THR 81 2HG2 THR 81 -3.113 0.221 -6.917 510 3HG2 THR 81 3HG2 THR 81 -3.034 0.190 -8.681 511 H ASP 82 H ASP 82 -6.138 -3.196 -7.747 512 HA ASP 82 HA ASP 82 -5.808 -4.547 -5.144 513 1HB ASP 82 1HB ASP 82 -8.410 -4.089 -6.429 514 2HB ASP 82 2HB ASP 82 -8.080 -5.796 -6.133 515 H VAL 83 H VAL 83 -5.205 -6.786 -5.477 516 HA VAL 83 HA VAL 83 -5.035 -7.598 -8.343 517 HB VAL 83 HB VAL 83 -2.787 -7.464 -8.256 518 1HG1 VAL 83 1HG1 VAL 83 -3.447 -6.227 -5.800 519 2HG1 VAL 83 2HG1 VAL 83 -2.166 -7.387 -5.435 520 3HG1 VAL 83 3HG1 VAL 83 -1.916 -6.139 -6.658 521 1HG2 VAL 83 1HG2 VAL 83 -3.054 -9.867 -7.692 522 2HG2 VAL 83 2HG2 VAL 83 -1.593 -9.179 -6.981 523 3HG2 VAL 83 3HG2 VAL 83 -3.020 -9.443 -5.978 524 H GLN 84 H GLN 84 -5.156 -9.855 -8.701 525 HA GLN 84 HA GLN 84 -6.052 -11.437 -6.323 526 1HB GLN 84 1HB GLN 84 -6.924 -11.820 -9.200 527 2HB GLN 84 2HB GLN 84 -7.587 -12.617 -7.773 528 1HG GLN 84 1HG GLN 84 -8.014 -10.135 -6.970 529 2HG GLN 84 2HG GLN 84 -7.940 -9.787 -8.698 530 1HE2 GLN 84 2HE2 GLN 84 -9.446 -12.315 -6.587 531 2HE2 GLN 84 1HE2 GLN 84 -10.933 -12.311 -7.406 532 H VAL 85 H VAL 85 -3.880 -12.214 -5.998 533 HA VAL 85 HA VAL 85 -2.418 -13.503 -8.150 534 HB VAL 85 HB VAL 85 -2.043 -13.615 -5.143 535 1HG1 VAL 85 1HG1 VAL 85 -0.450 -14.675 -7.468 536 2HG1 VAL 85 2HG1 VAL 85 0.351 -14.227 -5.962 537 3HG1 VAL 85 3HG1 VAL 85 -0.882 -15.489 -5.964 538 1HG2 VAL 85 1HG2 VAL 85 -1.642 -11.532 -7.008 539 2HG2 VAL 85 2HG2 VAL 85 -1.056 -11.597 -5.346 540 3HG2 VAL 85 3HG2 VAL 85 -0.040 -12.184 -6.663 541 H GLU 86 H GLU 86 -2.460 -15.636 -8.739 542 HA GLU 86 HA GLU 86 -4.310 -17.416 -7.213 543 1HB GLU 86 1HB GLU 86 -3.380 -17.589 -10.094 544 2HB GLU 86 2HB GLU 86 -4.517 -18.689 -9.315 545 1HG GLU 86 1HG GLU 86 -5.899 -16.574 -8.770 546 2HG GLU 86 2HG GLU 86 -4.893 -15.768 -9.975 547 H ALA 87 H ALA 87 -3.617 -19.852 -7.663 548 HA ALA 87 HA ALA 87 -0.655 -20.070 -7.339 549 1HB ALA 87 1HB ALA 87 -2.834 -20.969 -5.528 550 2HB ALA 87 2HB ALA 87 -1.516 -22.112 -5.786 551 3HB ALA 87 3HB ALA 87 -1.175 -20.504 -5.149
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