NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21180 | 2h80 | 7151 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 24.993 -9.276 2.433 2 2H MET 1 2H MET 1 26.551 -8.860 2.178 3 3H MET 1 3H MET 1 25.899 -10.119 1.361 4 HA MET 1 HA MET 1 25.093 -7.293 1.100 5 1HB MET 1 2HB MET 1 26.740 -9.022 -0.782 6 2HB MET 1 3HB MET 1 25.917 -7.542 -1.289 7 1HG MET 1 2HG MET 1 28.029 -7.713 0.893 8 2HG MET 1 3HG MET 1 28.266 -7.131 -0.746 9 1HE MET 1 1HE MET 1 27.522 -4.503 2.707 10 2HE MET 1 2HE MET 1 27.160 -6.232 2.870 11 3HE MET 1 3HE MET 1 28.761 -5.708 2.295 12 H HIS 2 H HIS 2 24.757 -10.171 -1.086 13 HA HIS 2 HA HIS 2 22.107 -9.414 -1.846 14 1HB HIS 2 2HB HIS 2 23.555 -12.081 -2.079 15 2HB HIS 2 3HB HIS 2 22.069 -11.647 -2.922 16 HD1 HIS 2 1HD HIS 2 22.605 -8.998 -4.323 17 HD2 HIS 2 2HD HIS 2 25.538 -11.978 -3.738 18 HE1 HIS 2 1HE HIS 2 24.416 -8.565 -6.056 19 H HIS 3 H HIS 3 20.162 -9.836 -1.024 20 HA HIS 3 HA HIS 3 19.566 -12.191 0.591 21 1HB HIS 3 2HB HIS 3 18.540 -10.916 2.441 22 2HB HIS 3 3HB HIS 3 20.272 -10.672 2.351 23 HD1 HIS 3 1HD HIS 3 17.022 -8.710 1.417 24 HD2 HIS 3 2HD HIS 3 21.125 -8.212 2.271 25 HE1 HIS 3 1HE HIS 3 17.416 -6.207 1.583 26 H HIS 4 H HIS 4 17.190 -12.346 0.998 27 HA HIS 4 HA HIS 4 15.590 -11.201 -1.258 28 1HB HIS 4 2HB HIS 4 15.807 -13.682 -0.953 29 2HB HIS 4 3HB HIS 4 14.915 -13.544 0.556 30 HD1 HIS 4 1HD HIS 4 12.553 -11.499 -0.610 31 HD2 HIS 4 2HD HIS 4 14.114 -15.014 -2.379 32 HE1 HIS 4 1HE HIS 4 10.782 -12.345 -2.186 33 H HIS 5 H HIS 5 15.274 -11.843 2.272 34 HA HIS 5 HA HIS 5 13.886 -9.297 2.681 35 1HB HIS 5 2HB HIS 5 11.947 -10.300 3.780 36 2HB HIS 5 3HB HIS 5 12.045 -10.839 2.115 37 HD1 HIS 5 1HD HIS 5 12.576 -13.484 1.719 38 HD2 HIS 5 2HD HIS 5 12.209 -12.158 5.705 39 HE1 HIS 5 1HE HIS 5 12.399 -15.580 3.157 40 H HIS 6 H HIS 6 13.522 -8.886 5.032 41 HA HIS 6 HA HIS 6 15.827 -9.745 6.651 42 1HB HIS 6 2HB HIS 6 13.531 -7.862 7.319 43 2HB HIS 6 3HB HIS 6 14.994 -8.108 8.268 44 HD1 HIS 6 1HD HIS 6 14.040 -5.290 6.868 45 HD2 HIS 6 2HD HIS 6 17.003 -7.999 5.565 46 HE1 HIS 6 1HE HIS 6 15.626 -3.959 5.385 47 H HIS 7 H HIS 7 12.373 -9.537 7.575 48 HA HIS 7 HA HIS 7 12.288 -12.353 8.464 49 1HB HIS 7 2HB HIS 7 11.698 -9.989 10.302 50 2HB HIS 7 3HB HIS 7 11.373 -11.676 10.682 51 HD1 HIS 7 1HD HIS 7 13.711 -13.287 10.839 52 HD2 HIS 7 2HD HIS 7 14.064 -9.085 10.972 53 HE1 HIS 7 1HE HIS 7 16.023 -12.796 11.787 54 H SER 8 H SER 8 10.053 -12.973 9.087 55 HA SER 8 HA SER 8 7.959 -11.558 7.480 56 1HB SER 8 2HB SER 8 8.100 -14.458 8.368 57 2HB SER 8 3HB SER 8 6.817 -13.724 7.392 58 HG SER 8 HG SER 8 8.344 -13.319 5.760 59 H SER 9 H SER 9 7.804 -10.042 9.314 60 HA SER 9 HA SER 9 5.575 -10.755 11.065 61 1HB SER 9 2HB SER 9 7.664 -11.470 12.324 62 2HB SER 9 3HB SER 9 8.141 -9.764 12.365 63 HG SER 9 HG SER 9 6.953 -10.504 14.244 64 H GLY 10 H GLY 10 5.117 -8.730 12.530 65 1HA GLY 10 2HA GLY 10 5.889 -6.134 12.140 66 2HA GLY 10 1HA GLY 10 4.822 -6.381 10.759 67 H LEU 11 H LEU 11 4.959 -6.331 14.288 68 HA LEU 11 HA LEU 11 2.177 -5.306 14.379 69 1HB LEU 11 2HB LEU 11 2.135 -7.793 14.770 70 2HB LEU 11 3HB LEU 11 3.180 -7.559 16.162 71 HG LEU 11 HG LEU 11 1.346 -6.097 17.189 72 1HD1 LEU 11 1HD1 LEU 11 -0.934 -6.352 16.292 73 2HD1 LEU 11 2HD1 LEU 11 -0.288 -7.213 14.876 74 3HD1 LEU 11 3HD1 LEU 11 0.107 -5.497 15.149 75 1HD2 LEU 11 1HD2 LEU 11 1.653 -8.447 17.827 76 2HD2 LEU 11 2HD2 LEU 11 0.593 -8.959 16.491 77 3HD2 LEU 11 3HD2 LEU 11 -0.059 -7.991 17.836 78 H VAL 12 H VAL 12 3.681 -3.396 14.513 79 HA VAL 12 HA VAL 12 3.595 -2.482 17.276 80 HB VAL 12 HB VAL 12 5.717 -3.438 17.453 81 1HG1 VAL 12 1HG1 VAL 12 7.688 -2.881 16.189 82 2HG1 VAL 12 2HG1 VAL 12 6.464 -3.575 15.121 83 3HG1 VAL 12 3HG1 VAL 12 6.768 -1.824 15.107 84 1HG2 VAL 12 1HG2 VAL 12 5.313 -1.259 18.555 85 2HG2 VAL 12 2HG2 VAL 12 7.020 -1.612 18.242 86 3HG2 VAL 12 3HG2 VAL 12 6.164 -0.452 17.218 87 HA PRO 13 HA PRO 13 2.565 0.920 14.344 88 1HB PRO 13 2HB PRO 13 0.217 1.706 15.490 89 2HB PRO 13 3HB PRO 13 0.327 0.339 14.339 90 1HG PRO 13 2HG PRO 13 0.258 0.224 17.368 91 2HG PRO 13 3HG PRO 13 -0.687 -0.751 16.200 92 1HD PRO 13 2HD PRO 13 1.617 -1.654 17.381 93 2HD PRO 13 3HD PRO 13 1.156 -2.125 15.716 94 H ARG 14 H ARG 14 3.237 2.952 14.701 95 HA ARG 14 HA ARG 14 3.174 4.251 17.367 96 1HB ARG 14 2HB ARG 14 5.739 3.949 15.729 97 2HB ARG 14 3HB ARG 14 5.539 5.058 17.086 98 1HG ARG 14 2HG ARG 14 4.939 3.053 18.532 99 2HG ARG 14 3HG ARG 14 5.494 2.021 17.205 100 1HD ARG 14 2HD ARG 14 7.153 4.147 18.624 101 2HD ARG 14 3HD ARG 14 7.204 2.414 18.972 102 HE ARG 14 HE ARG 14 7.731 2.616 16.232 103 1HH1 ARG 14 1HH1 ARG 14 9.327 3.728 19.136 104 2HH1 ARG 14 2HH1 ARG 14 10.908 3.680 18.403 105 1HH2 ARG 14 1HH2 ARG 14 9.769 2.583 15.345 106 2HH2 ARG 14 2HH2 ARG 14 11.137 3.046 16.311 107 H GLY 15 H GLY 15 3.829 6.582 17.178 108 1HA GLY 15 2HA GLY 15 2.238 7.951 15.221 109 2HA GLY 15 1HA GLY 15 3.339 8.691 16.384 110 H SER 16 H SER 16 5.403 6.787 14.886 111 HA SER 16 HA SER 16 6.593 8.751 13.115 112 1HB SER 16 2HB SER 16 7.254 5.835 13.707 113 2HB SER 16 3HB SER 16 8.260 6.907 12.726 114 HG SER 16 HG SER 16 7.528 7.401 15.441 115 H GLN 17 H GLN 17 4.007 8.174 12.136 116 HA GLN 17 HA GLN 17 3.822 6.104 10.246 117 1HB GLN 17 2HB GLN 17 1.801 7.172 9.473 118 2HB GLN 17 3HB GLN 17 1.918 7.179 11.221 119 1HG GLN 17 2HG GLN 17 1.380 9.344 11.167 120 2HG GLN 17 3HG GLN 17 2.992 9.684 10.560 121 1HE2 GLN 17 1HE2 GLN 17 -0.442 9.439 9.706 122 2HE2 GLN 17 2HE2 GLN 17 -0.220 10.050 8.068 123 H GLU 18 H GLU 18 5.265 9.279 9.727 124 HA GLU 18 HA GLU 18 5.422 9.075 6.823 125 1HB GLU 18 2HB GLU 18 7.021 10.731 8.819 126 2HB GLU 18 3HB GLU 18 7.137 10.877 7.062 127 1HG GLU 18 2HG GLU 18 4.689 11.409 6.969 128 2HG GLU 18 3HG GLU 18 4.651 11.408 8.738 129 H ILE 19 H ILE 19 7.280 7.648 9.385 130 HA ILE 19 HA ILE 19 9.533 6.880 7.596 131 HB ILE 19 HB ILE 19 9.157 6.403 10.585 132 1HG1 ILE 19 2HG1 ILE 19 11.297 7.982 10.535 133 2HG1 ILE 19 3HG1 ILE 19 10.643 8.532 9.001 134 1HG2 ILE 19 1HG2 ILE 19 11.539 5.894 8.747 135 2HG2 ILE 19 2HG2 ILE 19 11.543 5.728 10.517 136 3HG2 ILE 19 3HG2 ILE 19 10.545 4.654 9.548 137 1HD1 ILE 19 1HD1 ILE 19 10.040 10.002 10.883 138 2HD1 ILE 19 2HD1 ILE 19 8.572 9.289 10.217 139 3HD1 ILE 19 3HD1 ILE 19 9.262 8.656 11.726 140 H GLU 20 H GLU 20 6.821 5.459 9.446 141 HA GLU 20 HA GLU 20 7.097 2.745 8.596 142 1HB GLU 20 2HB GLU 20 4.605 4.405 9.118 143 2HB GLU 20 3HB GLU 20 4.574 2.674 8.827 144 1HG GLU 20 2HG GLU 20 6.107 3.971 11.122 145 2HG GLU 20 3HG GLU 20 4.471 3.335 11.248 146 H ALA 21 H ALA 21 5.782 5.541 6.825 147 HA ALA 21 HA ALA 21 4.717 4.222 4.595 148 1HB ALA 21 1HB ALA 21 6.137 6.920 4.769 149 2HB ALA 21 2HB ALA 21 5.083 6.408 3.445 150 3HB ALA 21 3HB ALA 21 4.410 6.611 5.074 151 H LYS 22 H LYS 22 8.124 5.109 5.159 152 HA LYS 22 HA LYS 22 9.176 4.261 2.588 153 1HB LYS 22 2HB LYS 22 10.344 5.784 4.210 154 2HB LYS 22 3HB LYS 22 10.569 4.413 5.302 155 1HG LYS 22 2HG LYS 22 11.880 3.245 3.497 156 2HG LYS 22 3HG LYS 22 11.710 4.695 2.488 157 1HD LYS 22 2HD LYS 22 12.882 6.027 4.244 158 2HD LYS 22 3HD LYS 22 13.042 4.559 5.235 159 1HE LYS 22 2HE LYS 22 14.316 3.479 3.361 160 2HE LYS 22 3HE LYS 22 14.216 4.991 2.449 161 1HZ LYS 22 1HZ LYS 22 15.462 6.072 4.256 162 2HZ LYS 22 2HZ LYS 22 16.319 4.828 3.641 163 3HZ LYS 22 3HZ LYS 22 15.567 4.662 5.078 164 H GLU 23 H GLU 23 9.031 2.673 5.752 165 HA GLU 23 HA GLU 23 10.088 0.134 4.938 166 1HB GLU 23 2HB GLU 23 8.292 0.946 7.259 167 2HB GLU 23 3HB GLU 23 8.935 -0.684 7.066 168 1HG GLU 23 2HG GLU 23 10.670 1.816 7.279 169 2HG GLU 23 3HG GLU 23 10.241 0.777 8.631 170 H ALA 24 H ALA 24 6.735 1.338 4.853 171 HA ALA 24 HA ALA 24 5.423 -1.097 4.357 172 1HB ALA 24 1HB ALA 24 4.253 0.983 4.908 173 2HB ALA 24 2HB ALA 24 4.750 1.711 3.366 174 3HB ALA 24 3HB ALA 24 3.640 0.334 3.375 175 H CYS 25 H CYS 25 6.484 1.219 1.816 176 HA CYS 25 HA CYS 25 5.977 -0.472 -0.413 177 1HB CYS 25 2HB CYS 25 7.968 1.789 0.053 178 2HB CYS 25 3HB CYS 25 7.800 0.972 -1.511 179 HG CYS 25 HG CYS 25 5.301 1.449 -1.908 180 H ASP 26 H ASP 26 9.080 -0.064 1.398 181 HA ASP 26 HA ASP 26 10.513 -1.922 -0.209 182 1HB ASP 26 2HB ASP 26 11.474 -0.164 1.301 183 2HB ASP 26 3HB ASP 26 11.077 -1.190 2.686 184 H TRP 27 H TRP 27 8.687 -2.505 2.840 185 HA TRP 27 HA TRP 27 9.372 -5.271 3.087 186 1HB TRP 27 2HB TRP 27 8.379 -3.995 4.925 187 2HB TRP 27 3HB TRP 27 6.869 -3.835 4.023 188 HD1 TRP 27 HD1 TRP 27 8.926 -6.339 6.029 189 HE1 TRP 27 1HE TRP 27 7.602 -8.517 6.387 190 HE3 TRP 27 3HE TRP 27 4.852 -5.285 3.158 191 HZ2 TRP 27 2HZ TRP 27 5.189 -9.739 5.336 192 HZ3 TRP 27 3HZ TRP 27 3.053 -6.975 2.811 193 HH2 TRP 27 HH2 TRP 27 3.226 -9.193 3.858 194 H LEU 28 H LEU 28 6.623 -3.717 1.324 195 HA LEU 28 HA LEU 28 5.389 -6.127 0.458 196 1HB LEU 28 2HB LEU 28 5.430 -3.287 -0.500 197 2HB LEU 28 3HB LEU 28 5.053 -4.484 -1.723 198 HG LEU 28 HG LEU 28 3.020 -3.694 -1.023 199 1HD1 LEU 28 1HD1 LEU 28 3.187 -6.187 -1.188 200 2HD1 LEU 28 2HD1 LEU 28 1.830 -5.582 -0.222 201 3HD1 LEU 28 3HD1 LEU 28 3.254 -6.251 0.587 202 1HD2 LEU 28 1HD2 LEU 28 3.420 -2.518 0.952 203 2HD2 LEU 28 2HD2 LEU 28 3.994 -3.948 1.816 204 3HD2 LEU 28 3HD2 LEU 28 2.275 -3.792 1.411 205 H ARG 29 H ARG 29 8.066 -4.343 -1.072 206 HA ARG 29 HA ARG 29 8.426 -6.190 -3.272 207 1HB ARG 29 2HB ARG 29 10.600 -4.430 -2.052 208 2HB ARG 29 3HB ARG 29 10.565 -5.164 -3.656 209 1HG ARG 29 2HG ARG 29 8.258 -3.734 -3.782 210 2HG ARG 29 3HG ARG 29 9.132 -2.742 -2.624 211 1HD ARG 29 2HD ARG 29 10.087 -3.519 -5.404 212 2HD ARG 29 3HD ARG 29 9.372 -1.965 -4.937 213 HE ARG 29 HE ARG 29 11.655 -2.510 -3.280 214 1HH1 ARG 29 1HH1 ARG 29 10.941 -1.504 -6.549 215 2HH1 ARG 29 2HH1 ARG 29 12.460 -0.669 -6.730 216 1HH2 ARG 29 1HH2 ARG 29 13.580 -1.457 -3.569 217 2HH2 ARG 29 2HH2 ARG 29 13.914 -0.658 -5.080 218 H ALA 30 H ALA 30 10.177 -5.973 -0.172 219 HA ALA 30 HA ALA 30 11.867 -8.202 -0.497 220 1HB ALA 30 1HB ALA 30 10.621 -7.080 2.053 221 2HB ALA 30 2HB ALA 30 12.054 -8.120 1.963 222 3HB ALA 30 3HB ALA 30 12.102 -6.492 1.260 223 H ALA 31 H ALA 31 8.579 -8.155 0.926 224 HA ALA 31 HA ALA 31 8.406 -10.910 1.602 225 1HB ALA 31 1HB ALA 31 7.016 -9.102 2.555 226 2HB ALA 31 2HB ALA 31 6.220 -8.873 0.983 227 3HB ALA 31 3HB ALA 31 6.009 -10.393 1.878 228 H GLY 32 H GLY 32 8.516 -9.649 -1.534 229 1HA GLY 32 2HA GLY 32 8.618 -11.050 -3.428 230 2HA GLY 32 1HA GLY 32 7.514 -12.202 -2.681 231 H PHE 33 H PHE 33 6.393 -8.941 -2.437 232 HA PHE 33 HA PHE 33 4.662 -9.243 -4.859 233 1HB PHE 33 2HB PHE 33 3.727 -8.199 -2.181 234 2HB PHE 33 3HB PHE 33 2.763 -8.547 -3.615 235 HD1 PHE 33 1HD PHE 33 2.938 -11.110 -4.462 236 HD2 PHE 33 2HD PHE 33 3.694 -9.744 -0.435 237 HE1 PHE 33 1HE PHE 33 2.507 -13.398 -3.596 238 HE2 PHE 33 2HE PHE 33 3.254 -12.033 0.418 239 HZ PHE 33 HZ PHE 33 2.660 -13.858 -1.156 240 HA PRO 34 HA PRO 34 6.768 -5.047 -4.592 241 1HB PRO 34 2HB PRO 34 8.116 -5.021 -6.996 242 2HB PRO 34 3HB PRO 34 8.785 -5.753 -5.510 243 1HG PRO 34 2HG PRO 34 7.315 -7.155 -7.760 244 2HG PRO 34 3HG PRO 34 8.874 -7.613 -6.999 245 1HD PRO 34 2HD PRO 34 6.545 -8.773 -6.238 246 2HD PRO 34 3HD PRO 34 7.804 -8.359 -5.034 247 H GLN 35 H GLN 35 4.782 -6.619 -6.995 248 HA GLN 35 HA GLN 35 4.000 -4.455 -8.626 249 1HB GLN 35 2HB GLN 35 3.398 -6.820 -8.995 250 2HB GLN 35 3HB GLN 35 2.313 -6.778 -7.596 251 1HG GLN 35 2HG GLN 35 0.899 -5.088 -8.713 252 2HG GLN 35 3HG GLN 35 2.029 -5.005 -10.068 253 1HE2 GLN 35 1HE2 GLN 35 -0.506 -6.997 -8.516 254 2HE2 GLN 35 2HE2 GLN 35 -0.653 -8.086 -9.889 255 H TYR 36 H TYR 36 2.607 -5.439 -5.439 256 HA TYR 36 HA TYR 36 0.696 -3.320 -5.303 257 1HB TYR 36 2HB TYR 36 2.093 -4.797 -3.052 258 2HB TYR 36 3HB TYR 36 0.701 -3.739 -2.855 259 HD1 TYR 36 2HD TYR 36 -1.177 -4.469 -4.976 260 HD2 TYR 36 1HD TYR 36 1.389 -6.978 -2.574 261 HE1 TYR 36 2HE TYR 36 -2.697 -6.390 -5.355 262 HE2 TYR 36 1HE TYR 36 -0.144 -8.903 -2.960 263 HH TYR 36 HH TYR 36 -3.073 -8.621 -5.002 264 H ALA 37 H ALA 37 4.056 -3.423 -4.000 265 HA ALA 37 HA ALA 37 4.107 -0.845 -2.850 266 1HB ALA 37 1HB ALA 37 5.896 -2.532 -2.557 267 2HB ALA 37 2HB ALA 37 6.383 -2.322 -4.245 268 3HB ALA 37 3HB ALA 37 6.553 -0.984 -3.094 269 H GLN 38 H GLN 38 5.034 -1.749 -6.197 270 HA GLN 38 HA GLN 38 5.813 0.854 -7.059 271 1HB GLN 38 2HB GLN 38 4.788 -1.582 -8.567 272 2HB GLN 38 3HB GLN 38 5.383 -0.137 -9.382 273 1HG GLN 38 2HG GLN 38 7.063 -1.754 -7.406 274 2HG GLN 38 3HG GLN 38 7.065 -2.006 -9.146 275 1HE2 GLN 38 1HE2 GLN 38 8.197 0.128 -6.541 276 2HE2 GLN 38 2HE2 GLN 38 9.152 1.134 -7.627 277 H LEU 39 H LEU 39 2.593 -0.578 -6.906 278 HA LEU 39 HA LEU 39 1.263 1.452 -8.460 279 1HB LEU 39 2HB LEU 39 0.307 -0.658 -6.503 280 2HB LEU 39 3HB LEU 39 -0.805 0.406 -7.320 281 HG LEU 39 HG LEU 39 1.140 -1.406 -8.806 282 1HD1 LEU 39 1HD1 LEU 39 -1.808 -1.833 -8.160 283 2HD1 LEU 39 2HD1 LEU 39 -0.443 -2.744 -7.474 284 3HD1 LEU 39 3HD1 LEU 39 -0.804 -2.871 -9.202 285 1HD2 LEU 39 1HD2 LEU 39 -1.363 -0.017 -9.817 286 2HD2 LEU 39 2HD2 LEU 39 -0.271 -1.060 -10.737 287 3HD2 LEU 39 3HD2 LEU 39 0.302 0.505 -10.161 288 H TYR 40 H TYR 40 2.692 1.881 -5.426 289 HA TYR 40 HA TYR 40 0.804 3.572 -4.117 290 1HB TYR 40 2HB TYR 40 2.814 2.709 -2.983 291 2HB TYR 40 3HB TYR 40 3.842 3.615 -4.069 292 HD1 TYR 40 1HD TYR 40 0.714 4.702 -2.203 293 HD2 TYR 40 2HD TYR 40 4.989 5.124 -2.690 294 HE1 TYR 40 1HE TYR 40 0.712 6.631 -0.635 295 HE2 TYR 40 2HE TYR 40 4.976 7.032 -1.101 296 HH TYR 40 HH TYR 40 3.704 8.379 0.248 297 H GLU 41 H GLU 41 3.619 4.618 -6.093 298 HA GLU 41 HA GLU 41 2.718 7.370 -6.226 299 1HB GLU 41 2HB GLU 41 4.840 5.823 -7.757 300 2HB GLU 41 3HB GLU 41 4.592 7.554 -7.946 301 1HG GLU 41 2HG GLU 41 5.315 6.170 -5.323 302 2HG GLU 41 3HG GLU 41 6.456 6.948 -6.407 303 H ASP 42 H ASP 42 1.865 4.618 -8.105 304 HA ASP 42 HA ASP 42 0.685 6.173 -10.332 305 1HB ASP 42 2HB ASP 42 0.561 3.235 -9.567 306 2HB ASP 42 3HB ASP 42 -0.300 3.916 -10.939 307 H SER 43 H SER 43 -0.173 5.917 -7.157 308 HA SER 43 HA SER 43 -2.016 6.251 -5.922 309 1HB SER 43 2HB SER 43 -3.222 7.431 -8.447 310 2HB SER 43 3HB SER 43 -3.802 7.674 -6.791 311 HG SER 43 HG SER 43 -2.430 9.385 -7.520 312 H GLN 44 H GLN 44 -1.758 3.674 -6.918 313 HA GLN 44 HA GLN 44 -4.568 2.709 -7.288 314 1HB GLN 44 2HB GLN 44 -1.934 1.885 -8.514 315 2HB GLN 44 3HB GLN 44 -3.320 0.792 -8.541 316 1HG GLN 44 2HG GLN 44 -3.530 3.612 -9.648 317 2HG GLN 44 3HG GLN 44 -2.847 2.289 -10.581 318 1HE2 GLN 44 1HE2 GLN 44 -4.401 1.709 -12.099 319 2HE2 GLN 44 2HE2 GLN 44 -6.082 1.415 -11.669 320 H PHE 45 H PHE 45 -2.705 2.966 -4.782 321 HA PHE 45 HA PHE 45 -2.529 0.343 -3.631 322 1HB PHE 45 2HB PHE 45 -2.238 3.121 -2.729 323 2HB PHE 45 3HB PHE 45 -3.050 2.135 -1.531 324 HD1 PHE 45 1HD PHE 45 -0.220 1.388 -3.930 325 HD2 PHE 45 2HD PHE 45 -1.555 1.587 0.164 326 HE1 PHE 45 1HE PHE 45 1.984 0.558 -3.150 327 HE2 PHE 45 2HE PHE 45 0.649 0.694 0.909 328 HZ PHE 45 HZ PHE 45 2.393 0.133 -0.750 329 HA PRO 46 HA PRO 46 -6.840 0.759 -1.730 330 1HB PRO 46 2HB PRO 46 -8.601 2.757 -2.291 331 2HB PRO 46 3HB PRO 46 -7.262 2.948 -1.131 332 1HG PRO 46 2HG PRO 46 -7.316 3.801 -4.023 333 2HG PRO 46 3HG PRO 46 -6.813 4.754 -2.590 334 1HD PRO 46 2HD PRO 46 -5.035 3.457 -4.204 335 2HD PRO 46 3HD PRO 46 -4.767 3.627 -2.443 336 H ILE 47 H ILE 47 -6.676 -0.993 -3.272 337 HA ILE 47 HA ILE 47 -8.948 -1.020 -5.228 338 HB ILE 47 HB ILE 47 -7.669 -2.634 -6.600 339 1HG1 ILE 47 2HG1 ILE 47 -5.191 -1.699 -5.082 340 2HG1 ILE 47 3HG1 ILE 47 -5.945 -3.267 -4.834 341 1HG2 ILE 47 1HG2 ILE 47 -6.440 -0.899 -7.798 342 2HG2 ILE 47 2HG2 ILE 47 -7.948 -0.240 -7.167 343 3HG2 ILE 47 3HG2 ILE 47 -6.417 0.127 -6.353 344 1HD1 ILE 47 1HD1 ILE 47 -4.684 -2.281 -7.422 345 2HD1 ILE 47 2HD1 ILE 47 -4.085 -3.542 -6.335 346 3HD1 ILE 47 3HD1 ILE 47 -5.582 -3.809 -7.250 347 H ASN 48 H ASN 48 -9.778 -1.526 -2.969 348 HA ASN 48 HA ASN 48 -10.777 -2.930 -1.486 349 1HB ASN 48 2HB ASN 48 -10.873 -4.862 -3.826 350 2HB ASN 48 3HB ASN 48 -11.935 -4.857 -2.422 351 1HD2 ASN 48 1HD2 ASN 48 -12.109 -4.259 -5.566 352 2HD2 ASN 48 2HD2 ASN 48 -13.207 -2.882 -5.541 353 H ILE 49 H ILE 49 -8.632 -2.928 -0.413 354 HA ILE 49 HA ILE 49 -6.658 -4.881 -0.483 355 HB ILE 49 HB ILE 49 -7.724 -3.438 1.967 356 1HG1 ILE 49 2HG1 ILE 49 -5.275 -2.745 0.286 357 2HG1 ILE 49 3HG1 ILE 49 -6.852 -2.041 -0.039 358 1HG2 ILE 49 1HG2 ILE 49 -5.060 -4.886 1.542 359 2HG2 ILE 49 2HG2 ILE 49 -5.458 -3.880 2.949 360 3HG2 ILE 49 3HG2 ILE 49 -6.345 -5.362 2.673 361 1HD1 ILE 49 1HD1 ILE 49 -5.367 -1.720 2.599 362 2HD1 ILE 49 2HD1 ILE 49 -5.502 -0.528 1.301 363 3HD1 ILE 49 3HD1 ILE 49 -6.955 -1.039 2.188 364 H VAL 50 H VAL 50 -9.586 -5.033 1.555 365 HA VAL 50 HA VAL 50 -9.121 -7.610 2.653 366 HB VAL 50 HB VAL 50 -10.677 -5.965 3.576 367 1HG1 VAL 50 1HG1 VAL 50 -12.638 -6.786 1.393 368 2HG1 VAL 50 2HG1 VAL 50 -12.955 -5.718 2.769 369 3HG1 VAL 50 3HG1 VAL 50 -11.826 -5.206 1.509 370 1HG2 VAL 50 1HG2 VAL 50 -12.347 -7.511 4.383 371 2HG2 VAL 50 2HG2 VAL 50 -12.054 -8.620 3.032 372 3HG2 VAL 50 3HG2 VAL 50 -10.792 -8.347 4.252 373 H ALA 51 H ALA 51 -10.502 -6.792 -0.497 374 HA ALA 51 HA ALA 51 -11.466 -9.507 -1.020 375 1HB ALA 51 1HB ALA 51 -12.510 -7.518 -2.069 376 2HB ALA 51 2HB ALA 51 -10.996 -7.195 -2.949 377 3HB ALA 51 3HB ALA 51 -11.905 -8.682 -3.262 378 H VAL 52 H VAL 52 -8.711 -7.530 -2.282 379 HA VAL 52 HA VAL 52 -7.599 -9.685 -3.789 380 HB VAL 52 HB VAL 52 -5.569 -8.389 -4.054 381 1HG1 VAL 52 1HG1 VAL 52 -8.066 -6.664 -4.283 382 2HG1 VAL 52 2HG1 VAL 52 -6.555 -6.472 -5.190 383 3HG1 VAL 52 3HG1 VAL 52 -7.556 -7.913 -5.441 384 1HG2 VAL 52 1HG2 VAL 52 -5.319 -7.355 -1.822 385 2HG2 VAL 52 2HG2 VAL 52 -5.317 -6.140 -3.104 386 3HG2 VAL 52 3HG2 VAL 52 -6.773 -6.378 -2.125 387 H LYS 53 H LYS 53 -6.926 -8.762 -0.418 388 HA LYS 53 HA LYS 53 -4.774 -10.688 -0.114 389 1HB LYS 53 2HB LYS 53 -4.623 -9.998 2.064 390 2HB LYS 53 3HB LYS 53 -5.287 -8.570 1.293 391 1HG LYS 53 2HG LYS 53 -7.605 -9.389 2.051 392 2HG LYS 53 3HG LYS 53 -6.757 -10.640 2.972 393 1HD LYS 53 2HD LYS 53 -5.483 -8.746 4.143 394 2HD LYS 53 3HD LYS 53 -6.640 -7.634 3.389 395 1HE LYS 53 2HE LYS 53 -8.524 -8.885 4.418 396 2HE LYS 53 3HE LYS 53 -7.394 -10.045 5.112 397 1HZ LYS 53 1HZ LYS 53 -7.463 -7.155 5.812 398 2HZ LYS 53 2HZ LYS 53 -6.462 -8.269 6.472 399 3HZ LYS 53 3HZ LYS 53 -8.065 -8.361 6.732 400 H ASN 54 H ASN 54 -8.190 -11.092 -0.132 401 HA ASN 54 HA ASN 54 -8.132 -13.687 1.297 402 1HB ASN 54 2HB ASN 54 -10.367 -11.868 0.329 403 2HB ASN 54 3HB ASN 54 -10.664 -13.505 0.885 404 1HD2 ASN 54 1HD2 ASN 54 -12.069 -12.073 2.372 405 2HD2 ASN 54 2HD2 ASN 54 -11.284 -11.694 3.902 406 H ASP 55 H ASP 55 -7.378 -12.921 -1.800 407 HA ASP 55 HA ASP 55 -8.792 -14.947 -3.301 408 1HB ASP 55 2HB ASP 55 -6.238 -13.373 -3.784 409 2HB ASP 55 3HB ASP 55 -6.828 -14.561 -4.934 410 H HIS 56 H HIS 56 -7.102 -15.716 -0.757 411 HA HIS 56 HA HIS 56 -5.857 -17.421 0.046 412 1HB HIS 56 2HB HIS 56 -7.983 -18.483 -0.690 413 2HB HIS 56 3HB HIS 56 -7.202 -18.971 -2.190 414 HD1 HIS 56 1HD HIS 56 -6.990 -21.547 -1.920 415 HD2 HIS 56 2HD HIS 56 -5.876 -19.346 1.502 416 HE1 HIS 56 1HE HIS 56 -6.111 -23.243 -0.234 417 H ASP 57 H ASP 57 -4.346 -15.786 -1.492 418 HA ASP 57 HA ASP 57 -2.868 -16.961 -3.595 419 1HB ASP 57 2HB ASP 57 -3.177 -14.515 -3.033 420 2HB ASP 57 3HB ASP 57 -1.980 -14.708 -1.752 421 H PHE 58 H PHE 58 -2.210 -16.959 -0.140 422 HA PHE 58 HA PHE 58 -0.128 -19.066 -0.453 423 1HB PHE 58 2HB PHE 58 0.126 -16.451 1.025 424 2HB PHE 58 3HB PHE 58 0.744 -17.881 1.811 425 HD1 PHE 58 2HD PHE 58 0.956 -16.176 -1.555 426 HD2 PHE 58 1HD PHE 58 2.972 -18.483 1.481 427 HE1 PHE 58 2HE PHE 58 3.064 -16.035 -2.847 428 HE2 PHE 58 1HE PHE 58 5.087 -18.308 0.200 429 HZ PHE 58 HZ PHE 58 5.140 -17.093 -1.971 430 H LEU 59 H LEU 59 0.037 -20.455 1.405 431 HA LEU 59 HA LEU 59 -2.522 -21.190 2.537 432 1HB LEU 59 2HB LEU 59 0.326 -22.166 3.036 433 2HB LEU 59 3HB LEU 59 -1.085 -22.773 3.887 434 HG LEU 59 HG LEU 59 -2.115 -23.406 1.682 435 1HD1 LEU 59 1HD1 LEU 59 -0.775 -22.168 0.042 436 2HD1 LEU 59 2HD1 LEU 59 -0.497 -23.891 -0.172 437 3HD1 LEU 59 3HD1 LEU 59 0.717 -22.915 0.658 438 1HD2 LEU 59 1HD2 LEU 59 0.558 -24.814 2.417 439 2HD2 LEU 59 2HD2 LEU 59 -0.801 -25.550 1.529 440 3HD2 LEU 59 3HD2 LEU 59 -0.999 -25.106 3.232 441 H GLU 60 H GLU 60 0.340 -19.593 3.878 442 HA GLU 60 HA GLU 60 -0.649 -19.576 6.612 443 1HB GLU 60 2HB GLU 60 1.340 -18.206 7.088 444 2HB GLU 60 3HB GLU 60 1.678 -19.759 6.332 445 1HG GLU 60 2HG GLU 60 2.060 -18.650 4.150 446 2HG GLU 60 3HG GLU 60 1.730 -17.082 4.879 447 H LYS 61 H LYS 61 -1.994 -18.214 7.542 448 HA LYS 61 HA LYS 61 -2.838 -15.711 6.214 449 1HB LYS 61 2HB LYS 61 -3.792 -16.998 8.807 450 2HB LYS 61 3HB LYS 61 -4.407 -15.504 8.120 451 1HG LYS 61 2HG LYS 61 -5.986 -16.943 7.337 452 2HG LYS 61 3HG LYS 61 -4.896 -16.856 5.963 453 1HD LYS 61 2HD LYS 61 -5.587 -19.135 6.250 454 2HD LYS 61 3HD LYS 61 -3.889 -19.056 6.702 455 1HE LYS 61 2HE LYS 61 -4.589 -18.909 9.125 456 2HE LYS 61 3HE LYS 61 -6.274 -19.064 8.609 457 1HZ LYS 61 1HZ LYS 61 -5.708 -21.248 7.677 458 2HZ LYS 61 2HZ LYS 61 -5.359 -21.206 9.270 459 3HZ LYS 61 3HZ LYS 61 -4.156 -21.102 8.170 460 H ASP 62 H ASP 62 -0.450 -16.501 8.543 461 HA ASP 62 HA ASP 62 -0.384 -14.077 10.054 462 1HB ASP 62 2HB ASP 62 0.829 -16.201 10.576 463 2HB ASP 62 3HB ASP 62 1.948 -15.861 9.256 464 H LEU 63 H LEU 63 0.861 -14.808 6.849 465 HA LEU 63 HA LEU 63 2.365 -12.395 6.399 466 1HB LEU 63 2HB LEU 63 2.041 -14.851 5.154 467 2HB LEU 63 3HB LEU 63 1.098 -13.837 4.094 468 HG LEU 63 HG LEU 63 3.327 -14.164 3.249 469 1HD1 LEU 63 1HD1 LEU 63 2.309 -11.923 2.873 470 2HD1 LEU 63 2HD1 LEU 63 4.085 -11.899 2.878 471 3HD1 LEU 63 3HD1 LEU 63 3.191 -11.330 4.300 472 1HD2 LEU 63 1HD2 LEU 63 4.437 -12.862 5.771 473 2HD2 LEU 63 2HD2 LEU 63 5.351 -13.450 4.368 474 3HD2 LEU 63 3HD2 LEU 63 4.480 -14.599 5.398 475 H VAL 64 H VAL 64 -1.050 -13.041 6.367 476 HA VAL 64 HA VAL 64 -1.821 -10.954 4.498 477 HB VAL 64 HB VAL 64 -3.512 -12.539 6.463 478 1HG1 VAL 64 1HG1 VAL 64 -4.307 -10.810 4.113 479 2HG1 VAL 64 2HG1 VAL 64 -5.394 -11.944 4.944 480 3HG1 VAL 64 3HG1 VAL 64 -4.744 -10.557 5.819 481 1HG2 VAL 64 1HG2 VAL 64 -2.379 -13.959 4.730 482 2HG2 VAL 64 2HG2 VAL 64 -4.122 -13.871 4.467 483 3HG2 VAL 64 3HG2 VAL 64 -3.025 -12.898 3.466 484 H GLU 65 H GLU 65 -1.298 -11.014 7.995 485 HA GLU 65 HA GLU 65 -2.609 -8.527 8.610 486 1HB GLU 65 2HB GLU 65 -0.427 -10.095 9.997 487 2HB GLU 65 3HB GLU 65 -0.811 -8.440 10.489 488 1HG GLU 65 2HG GLU 65 -3.249 -9.158 10.661 489 2HG GLU 65 3HG GLU 65 -2.687 -10.825 10.480 490 HA PRO 66 HA PRO 66 1.343 -6.058 7.817 491 1HB PRO 66 2HB PRO 66 3.483 -7.093 6.456 492 2HB PRO 66 3HB PRO 66 3.302 -7.130 8.231 493 1HG PRO 66 2HG PRO 66 2.630 -9.337 6.272 494 2HG PRO 66 3HG PRO 66 3.555 -9.455 7.800 495 1HD PRO 66 2HD PRO 66 0.922 -10.090 7.659 496 2HD PRO 66 3HD PRO 66 1.591 -9.263 9.096 497 H LEU 67 H LEU 67 0.510 -8.449 5.258 498 HA LEU 67 HA LEU 67 0.626 -6.658 3.033 499 1HB LEU 67 2HB LEU 67 0.421 -9.088 2.808 500 2HB LEU 67 3HB LEU 67 -1.165 -9.046 3.577 501 HG LEU 67 HG LEU 67 -2.108 -7.814 1.666 502 1HD1 LEU 67 1HD1 LEU 67 -0.136 -6.584 0.853 503 2HD1 LEU 67 2HD1 LEU 67 -0.805 -7.587 -0.434 504 3HD1 LEU 67 3HD1 LEU 67 0.662 -8.114 0.419 505 1HD2 LEU 67 1HD2 LEU 67 -2.118 -10.283 1.680 506 2HD2 LEU 67 2HD2 LEU 67 -0.563 -10.293 0.819 507 3HD2 LEU 67 3HD2 LEU 67 -2.015 -9.630 0.036 508 H CYS 68 H CYS 68 -1.885 -7.046 5.532 509 HA CYS 68 HA CYS 68 -3.672 -5.082 4.296 510 1HB CYS 68 2HB CYS 68 -4.331 -7.009 5.812 511 2HB CYS 68 3HB CYS 68 -3.678 -6.082 7.173 512 HG CYS 68 HG CYS 68 -5.147 -3.911 6.723 513 H ARG 69 H ARG 69 -1.512 -5.009 7.166 514 HA ARG 69 HA ARG 69 -1.982 -2.292 7.886 515 1HB ARG 69 2HB ARG 69 0.344 -4.161 8.484 516 2HB ARG 69 3HB ARG 69 0.226 -2.527 9.144 517 1HG ARG 69 2HG ARG 69 -1.963 -3.076 10.167 518 2HG ARG 69 3HG ARG 69 -1.825 -4.743 9.587 519 1HD ARG 69 2HD ARG 69 0.154 -5.131 10.931 520 2HD ARG 69 3HD ARG 69 0.277 -3.429 11.370 521 HE ARG 69 HE ARG 69 -1.478 -5.447 12.553 522 1HH1 ARG 69 1HH1 ARG 69 -1.087 -1.984 12.217 523 2HH1 ARG 69 2HH1 ARG 69 -2.073 -1.650 13.614 524 1HH2 ARG 69 1HH2 ARG 69 -2.702 -4.955 14.321 525 2HH2 ARG 69 2HH2 ARG 69 -2.945 -3.294 14.778 526 H ARG 70 H ARG 70 0.696 -3.546 5.871 527 HA ARG 70 HA ARG 70 1.930 -0.922 5.510 528 1HB ARG 70 2HB ARG 70 2.182 -3.452 3.829 529 2HB ARG 70 3HB ARG 70 3.187 -2.021 3.676 530 1HG ARG 70 2HG ARG 70 3.182 -4.075 5.888 531 2HG ARG 70 3HG ARG 70 4.491 -3.540 4.848 532 1HD ARG 70 2HD ARG 70 4.179 -1.229 6.089 533 2HD ARG 70 3HD ARG 70 3.332 -2.181 7.296 534 HE ARG 70 HE ARG 70 6.195 -2.093 6.779 535 1HH1 ARG 70 1HH1 ARG 70 3.773 -4.225 8.123 536 2HH1 ARG 70 2HH1 ARG 70 4.974 -5.204 8.928 537 1HH2 ARG 70 1HH2 ARG 70 7.647 -3.339 7.874 538 2HH2 ARG 70 2HH2 ARG 70 7.094 -4.688 8.814 539 H LEU 71 H LEU 71 -0.570 -2.636 3.712 540 HA LEU 71 HA LEU 71 -0.826 -0.632 1.610 541 1HB LEU 71 2HB LEU 71 -2.483 -2.927 2.606 542 2HB LEU 71 3HB LEU 71 -3.236 -1.700 1.617 543 HG LEU 71 HG LEU 71 -2.438 -3.761 0.421 544 1HD1 LEU 71 1HD1 LEU 71 -2.054 -2.621 -1.581 545 2HD1 LEU 71 2HD1 LEU 71 -1.127 -1.323 -0.806 546 3HD1 LEU 71 3HD1 LEU 71 -2.905 -1.396 -0.613 547 1HD2 LEU 71 1HD2 LEU 71 -0.170 -3.964 1.425 548 2HD2 LEU 71 2HD2 LEU 71 0.314 -2.468 0.604 549 3HD2 LEU 71 3HD2 LEU 71 -0.147 -3.894 -0.341 550 H ASN 72 H ASN 72 -2.608 -1.168 4.673 551 HA ASN 72 HA ASN 72 -4.291 1.074 4.546 552 1HB ASN 72 2HB ASN 72 -4.608 -0.781 6.104 553 2HB ASN 72 3HB ASN 72 -3.135 -0.347 6.979 554 1HD2 ASN 72 1HD2 ASN 72 -6.418 0.879 6.125 555 2HD2 ASN 72 2HD2 ASN 72 -6.487 1.938 7.528 556 H THR 73 H THR 73 -1.011 1.019 6.073 557 HA THR 73 HA THR 73 -1.209 3.633 7.140 558 HB THR 73 HB THR 73 0.505 1.920 7.745 559 HG1 THR 73 1HG THR 73 0.672 3.971 8.542 560 1HG2 THR 73 1HG2 THR 73 2.126 3.065 5.433 561 2HG2 THR 73 2HG2 THR 73 1.429 1.430 5.488 562 3HG2 THR 73 3HG2 THR 73 2.662 1.907 6.663 563 H LEU 74 H LEU 74 -0.196 2.720 3.866 564 HA LEU 74 HA LEU 74 0.348 5.514 3.077 565 1HB LEU 74 2HB LEU 74 0.106 2.948 1.475 566 2HB LEU 74 3HB LEU 74 0.575 4.509 0.811 567 HG LEU 74 HG LEU 74 2.143 2.840 2.819 568 1HD1 LEU 74 1HD1 LEU 74 2.996 1.928 0.961 569 2HD1 LEU 74 2HD1 LEU 74 3.743 3.486 0.591 570 3HD1 LEU 74 3HD1 LEU 74 2.179 3.088 -0.104 571 1HD2 LEU 74 1HD2 LEU 74 2.517 5.130 3.449 572 2HD2 LEU 74 2HD2 LEU 74 2.707 5.626 1.748 573 3HD2 LEU 74 3HD2 LEU 74 3.916 4.583 2.517 574 H ASN 75 H ASN 75 -2.435 3.378 3.008 575 HA ASN 75 HA ASN 75 -3.996 4.532 0.986 576 1HB ASN 75 2HB ASN 75 -4.373 2.449 2.453 577 2HB ASN 75 3HB ASN 75 -5.101 3.526 3.645 578 1HD2 ASN 75 1HD2 ASN 75 -5.893 1.387 1.326 579 2HD2 ASN 75 2HD2 ASN 75 -7.436 2.114 0.866 580 H LYS 76 H LYS 76 -3.733 5.551 4.361 581 HA LYS 76 HA LYS 76 -5.510 7.747 4.467 582 1HB LYS 76 2HB LYS 76 -4.292 6.697 6.393 583 2HB LYS 76 3HB LYS 76 -2.792 7.405 5.819 584 1HG LYS 76 2HG LYS 76 -3.642 8.704 7.668 585 2HG LYS 76 3HG LYS 76 -3.662 9.677 6.212 586 1HD LYS 76 2HD LYS 76 -5.676 10.063 7.554 587 2HD LYS 76 3HD LYS 76 -6.086 9.394 5.985 588 1HE LYS 76 2HE LYS 76 -7.480 8.345 7.632 589 2HE LYS 76 3HE LYS 76 -6.357 7.133 7.020 590 1HZ LYS 76 1HZ LYS 76 -6.049 8.608 9.589 591 2HZ LYS 76 2HZ LYS 76 -5.019 7.460 9.045 592 3HZ LYS 76 3HZ LYS 76 -6.548 7.063 9.448 593 H CYS 77 H CYS 77 -2.105 7.760 3.447 594 HA CYS 77 HA CYS 77 -2.041 10.595 2.790 595 1HB CYS 77 2HB CYS 77 -0.125 8.326 2.072 596 2HB CYS 77 3HB CYS 77 0.208 10.063 1.941 597 HG CYS 77 HG CYS 77 -0.195 10.591 4.499 598 H ALA 78 H ALA 78 -2.504 7.612 0.892 599 HA ALA 78 HA ALA 78 -2.346 8.769 -1.708 600 1HB ALA 78 1HB ALA 78 -3.393 6.661 -2.429 601 2HB ALA 78 2HB ALA 78 -2.128 6.354 -1.225 602 3HB ALA 78 3HB ALA 78 -3.841 6.283 -0.754 603 H SER 79 H SER 79 -5.130 8.220 0.411 604 HA SER 79 HA SER 79 -7.315 8.763 0.360 605 1HB SER 79 2HB SER 79 -7.751 11.141 0.404 606 2HB SER 79 3HB SER 79 -6.259 10.733 1.250 607 HG SER 79 HG SER 79 -6.051 12.597 -0.089 608 H MET 80 H MET 80 -6.499 7.733 -2.283 609 HA MET 80 HA MET 80 -7.874 9.166 -4.341 610 1HB MET 80 2HB MET 80 -5.928 7.547 -4.551 611 2HB MET 80 3HB MET 80 -7.094 6.231 -4.448 612 1HG MET 80 2HG MET 80 -7.293 8.499 -6.463 613 2HG MET 80 3HG MET 80 -6.344 7.057 -6.772 614 1HE MET 80 1HE MET 80 -7.770 4.539 -6.072 615 2HE MET 80 2HE MET 80 -8.852 4.259 -7.450 616 3HE MET 80 3HE MET 80 -7.207 4.872 -7.723 617 H LYS 81 H LYS 81 -9.905 9.403 -4.578 618 HA LYS 81 HA LYS 81 -12.137 9.375 -4.352 619 1HB LYS 81 2HB LYS 81 -11.396 7.523 -6.173 620 2HB LYS 81 3HB LYS 81 -12.370 6.496 -5.150 621 1HG LYS 81 2HG LYS 81 -13.199 9.123 -6.469 622 2HG LYS 81 3HG LYS 81 -13.597 7.522 -7.062 623 1HD LYS 81 2HD LYS 81 -14.578 8.747 -4.449 624 2HD LYS 81 3HD LYS 81 -15.501 8.642 -5.939 625 1HE LYS 81 2HE LYS 81 -14.493 6.257 -4.329 626 2HE LYS 81 3HE LYS 81 -16.127 6.920 -4.261 627 1HZ LYS 81 1HZ LYS 81 -16.369 6.381 -6.633 628 2HZ LYS 81 2HZ LYS 81 -16.062 5.044 -5.753 629 3HZ LYS 81 3HZ LYS 81 -14.880 5.702 -6.662 Start of MODEL 2 1 1H MET 1 1H MET 1 -14.467 9.498 -9.694 2 2H MET 1 2H MET 1 -15.263 10.861 -10.119 3 3H MET 1 3H MET 1 -15.191 10.422 -8.541 4 HA MET 1 HA MET 1 -13.701 12.269 -9.086 5 1HB MET 1 2HB MET 1 -11.865 11.544 -7.788 6 2HB MET 1 3HB MET 1 -13.270 10.698 -7.168 7 1HG MET 1 2HG MET 1 -12.521 8.696 -8.631 8 2HG MET 1 3HG MET 1 -11.033 9.600 -8.907 9 1HE MET 1 1HE MET 1 -13.014 7.239 -6.624 10 2HE MET 1 2HE MET 1 -12.354 7.524 -5.000 11 3HE MET 1 3HE MET 1 -13.381 8.754 -5.765 12 H HIS 2 H HIS 2 -11.445 12.760 -9.926 13 HA HIS 2 HA HIS 2 -10.557 11.111 -12.208 14 1HB HIS 2 2HB HIS 2 -12.191 12.844 -13.066 15 2HB HIS 2 3HB HIS 2 -11.095 14.097 -12.490 16 HD1 HIS 2 1HD HIS 2 -9.211 14.763 -14.211 17 HD2 HIS 2 2HD HIS 2 -11.150 11.107 -15.013 18 HE1 HIS 2 1HE HIS 2 -8.302 13.949 -16.454 19 H HIS 3 H HIS 3 -8.393 11.642 -12.903 20 HA HIS 3 HA HIS 3 -6.675 13.016 -10.863 21 1HB HIS 3 2HB HIS 3 -6.195 10.336 -12.215 22 2HB HIS 3 3HB HIS 3 -5.009 11.211 -11.252 23 HD1 HIS 3 1HD HIS 3 -5.336 11.170 -8.577 24 HD2 HIS 3 2HD HIS 3 -8.182 9.073 -10.881 25 HE1 HIS 3 1HE HIS 3 -6.614 9.679 -6.952 26 H HIS 4 H HIS 4 -7.076 14.784 -12.454 27 HA HIS 4 HA HIS 4 -5.887 14.684 -15.096 28 1HB HIS 4 2HB HIS 4 -7.718 16.258 -14.197 29 2HB HIS 4 3HB HIS 4 -6.424 17.188 -13.457 30 HD1 HIS 4 1HD HIS 4 -4.348 17.550 -15.726 31 HD2 HIS 4 2HD HIS 4 -8.517 17.380 -16.350 32 HE1 HIS 4 1HE HIS 4 -4.786 18.726 -17.942 33 H HIS 5 H HIS 5 -4.689 15.691 -11.920 34 HA HIS 5 HA HIS 5 -1.908 15.462 -12.767 35 1HB HIS 5 2HB HIS 5 -2.663 17.864 -13.271 36 2HB HIS 5 3HB HIS 5 -2.910 18.073 -11.544 37 HD1 HIS 5 1HD HIS 5 -0.976 19.818 -11.130 38 HD2 HIS 5 2HD HIS 5 0.186 16.383 -13.289 39 HE1 HIS 5 1HE HIS 5 1.551 19.967 -11.409 40 H HIS 6 H HIS 6 -0.451 15.645 -10.783 41 HA HIS 6 HA HIS 6 -1.823 15.001 -8.216 42 1HB HIS 6 2HB HIS 6 -1.327 12.903 -9.486 43 2HB HIS 6 3HB HIS 6 0.388 13.289 -9.403 44 HD1 HIS 6 1HD HIS 6 1.060 13.808 -6.518 45 HD2 HIS 6 2HD HIS 6 -2.054 11.217 -7.691 46 HE1 HIS 6 1HE HIS 6 0.595 12.293 -4.513 47 H HIS 7 H HIS 7 -1.249 17.103 -7.573 48 HA HIS 7 HA HIS 7 1.474 18.044 -7.405 49 1HB HIS 7 2HB HIS 7 -0.551 19.492 -7.342 50 2HB HIS 7 3HB HIS 7 -0.988 18.801 -5.779 51 HD1 HIS 7 1HD HIS 7 2.442 20.306 -6.976 52 HD2 HIS 7 2HD HIS 7 -0.585 20.693 -4.055 53 HE1 HIS 7 1HE HIS 7 3.247 22.079 -5.347 54 H SER 8 H SER 8 2.948 17.964 -5.724 55 HA SER 8 HA SER 8 2.294 16.718 -3.146 56 1HB SER 8 2HB SER 8 4.216 15.195 -3.209 57 2HB SER 8 3HB SER 8 3.033 14.794 -4.460 58 HG SER 8 HG SER 8 5.195 14.766 -5.253 59 H SER 9 H SER 9 4.043 17.006 -1.572 60 HA SER 9 HA SER 9 6.164 18.964 -2.055 61 1HB SER 9 2HB SER 9 3.716 19.622 -0.370 62 2HB SER 9 3HB SER 9 5.281 20.398 -0.082 63 HG SER 9 HG SER 9 4.172 20.333 -2.679 64 H GLY 10 H GLY 10 7.311 19.431 0.056 65 1HA GLY 10 2HA GLY 10 7.238 17.350 2.145 66 2HA GLY 10 1HA GLY 10 8.652 17.336 1.087 67 H LEU 11 H LEU 11 10.037 17.863 2.751 68 HA LEU 11 HA LEU 11 11.422 19.150 3.951 69 1HB LEU 11 2HB LEU 11 10.119 21.605 2.738 70 2HB LEU 11 3HB LEU 11 11.704 21.476 3.452 71 HG LEU 11 HG LEU 11 11.726 19.519 1.390 72 1HD1 LEU 11 1HD1 LEU 11 10.555 22.149 0.376 73 2HD1 LEU 11 2HD1 LEU 11 9.704 20.595 0.400 74 3HD1 LEU 11 3HD1 LEU 11 11.131 20.797 -0.623 75 1HD2 LEU 11 1HD2 LEU 11 13.346 21.009 0.318 76 2HD2 LEU 11 2HD2 LEU 11 13.628 20.919 2.063 77 3HD2 LEU 11 3HD2 LEU 11 12.835 22.352 1.366 78 H VAL 12 H VAL 12 8.458 18.758 4.933 79 HA VAL 12 HA VAL 12 8.902 20.146 7.517 80 HB VAL 12 HB VAL 12 7.567 21.701 6.444 81 1HG1 VAL 12 1HG1 VAL 12 6.495 20.458 4.650 82 2HG1 VAL 12 2HG1 VAL 12 5.462 19.599 5.812 83 3HG1 VAL 12 3HG1 VAL 12 5.309 21.352 5.596 84 1HG2 VAL 12 1HG2 VAL 12 5.724 20.194 8.328 85 2HG2 VAL 12 2HG2 VAL 12 7.092 21.216 8.831 86 3HG2 VAL 12 3HG2 VAL 12 5.727 21.925 7.954 87 HA PRO 13 HA PRO 13 7.751 15.777 8.327 88 1HB PRO 13 2HB PRO 13 9.619 15.210 10.226 89 2HB PRO 13 3HB PRO 13 9.975 15.214 8.473 90 1HG PRO 13 2HG PRO 13 10.504 17.429 10.477 91 2HG PRO 13 3HG PRO 13 11.613 16.759 9.243 92 1HD PRO 13 2HD PRO 13 10.154 19.040 8.849 93 2HD PRO 13 3HD PRO 13 10.539 17.918 7.511 94 H ARG 14 H ARG 14 5.761 16.287 9.206 95 HA ARG 14 HA ARG 14 5.400 17.481 11.857 96 1HB ARG 14 2HB ARG 14 3.773 17.734 10.022 97 2HB ARG 14 3HB ARG 14 3.435 15.997 10.054 98 1HG ARG 14 2HG ARG 14 2.472 16.163 12.283 99 2HG ARG 14 3HG ARG 14 3.002 17.852 12.440 100 1HD ARG 14 2HD ARG 14 1.495 18.516 10.627 101 2HD ARG 14 3HD ARG 14 1.008 16.826 10.380 102 HE ARG 14 HE ARG 14 0.500 17.379 13.085 103 1HH1 ARG 14 1HH1 ARG 14 -0.727 18.621 10.061 104 2HH1 ARG 14 2HH1 ARG 14 -2.278 19.030 10.747 105 1HH2 ARG 14 1HH2 ARG 14 -1.483 17.906 13.907 106 2HH2 ARG 14 2HH2 ARG 14 -2.686 18.626 12.878 107 H GLY 15 H GLY 15 5.814 14.194 10.763 108 1HA GLY 15 2HA GLY 15 5.946 13.080 13.448 109 2HA GLY 15 1HA GLY 15 4.426 12.689 12.640 110 H SER 16 H SER 16 5.379 10.510 13.081 111 HA SER 16 HA SER 16 7.634 9.500 11.653 112 1HB SER 16 2HB SER 16 6.365 8.618 13.768 113 2HB SER 16 3HB SER 16 5.382 7.722 12.596 114 HG SER 16 HG SER 16 7.219 6.538 13.345 115 H GLN 17 H GLN 17 4.919 10.519 10.177 116 HA GLN 17 HA GLN 17 3.809 8.536 8.638 117 1HB GLN 17 2HB GLN 17 3.263 11.092 8.879 118 2HB GLN 17 3HB GLN 17 4.340 11.303 7.507 119 1HG GLN 17 2HG GLN 17 2.107 11.173 6.644 120 2HG GLN 17 3HG GLN 17 2.903 9.665 6.207 121 1HE2 GLN 17 1HE2 GLN 17 1.052 8.274 6.129 122 2HE2 GLN 17 2HE2 GLN 17 0.035 8.028 7.545 123 H GLU 18 H GLU 18 6.730 10.401 7.712 124 HA GLU 18 HA GLU 18 7.105 9.115 5.148 125 1HB GLU 18 2HB GLU 18 9.067 10.540 6.996 126 2HB GLU 18 3HB GLU 18 9.468 9.987 5.372 127 1HG GLU 18 2HG GLU 18 7.327 12.043 6.062 128 2HG GLU 18 3HG GLU 18 8.933 12.390 5.434 129 H ILE 19 H ILE 19 8.301 8.309 8.392 130 HA ILE 19 HA ILE 19 10.123 6.218 7.537 131 HB ILE 19 HB ILE 19 8.872 6.717 10.278 132 1HG1 ILE 19 2HG1 ILE 19 11.472 7.423 10.573 133 2HG1 ILE 19 3HG1 ILE 19 11.316 7.805 8.869 134 1HG2 ILE 19 1HG2 ILE 19 10.721 5.326 11.128 135 2HG2 ILE 19 2HG2 ILE 19 9.676 4.396 10.059 136 3HG2 ILE 19 3HG2 ILE 19 11.247 4.987 9.464 137 1HD1 ILE 19 1HD1 ILE 19 9.376 9.348 9.493 138 2HD1 ILE 19 2HD1 ILE 19 9.713 8.945 11.194 139 3HD1 ILE 19 3HD1 ILE 19 10.929 9.787 10.220 140 H GLU 20 H GLU 20 6.835 6.200 8.913 141 HA GLU 20 HA GLU 20 6.199 3.439 8.618 142 1HB GLU 20 2HB GLU 20 4.527 5.980 8.518 143 2HB GLU 20 3HB GLU 20 3.810 4.386 8.433 144 1HG GLU 20 2HG GLU 20 5.514 5.408 10.739 145 2HG GLU 20 3HG GLU 20 3.753 5.357 10.709 146 H ALA 21 H ALA 21 5.682 6.093 6.234 147 HA ALA 21 HA ALA 21 4.642 4.543 4.111 148 1HB ALA 21 1HB ALA 21 5.502 6.471 2.712 149 2HB ALA 21 2HB ALA 21 4.547 6.970 4.125 150 3HB ALA 21 3HB ALA 21 6.320 7.092 4.145 151 H LYS 22 H LYS 22 8.064 5.399 4.767 152 HA LYS 22 HA LYS 22 9.209 4.018 2.547 153 1HB LYS 22 2HB LYS 22 10.255 5.769 4.053 154 2HB LYS 22 3HB LYS 22 10.566 4.514 5.240 155 1HG LYS 22 2HG LYS 22 11.496 4.345 2.340 156 2HG LYS 22 3HG LYS 22 12.400 5.269 3.517 157 1HD LYS 22 2HD LYS 22 11.896 2.292 3.944 158 2HD LYS 22 3HD LYS 22 13.187 2.915 2.932 159 1HE LYS 22 2HE LYS 22 14.291 2.630 4.920 160 2HE LYS 22 3HE LYS 22 13.920 4.354 4.934 161 1HZ LYS 22 1HZ LYS 22 11.985 3.792 6.377 162 2HZ LYS 22 2HZ LYS 22 13.398 3.324 7.061 163 3HZ LYS 22 3HZ LYS 22 12.435 2.207 6.373 164 H GLU 23 H GLU 23 8.725 2.887 5.909 165 HA GLU 23 HA GLU 23 9.670 0.207 5.432 166 1HB GLU 23 2HB GLU 23 7.697 1.264 7.511 167 2HB GLU 23 3HB GLU 23 8.300 -0.395 7.461 168 1HG GLU 23 2HG GLU 23 10.014 2.088 7.871 169 2HG GLU 23 3HG GLU 23 9.541 0.916 9.100 170 H ALA 24 H ALA 24 6.364 1.570 5.035 171 HA ALA 24 HA ALA 24 5.105 -0.902 4.400 172 1HB ALA 24 1HB ALA 24 4.476 1.922 3.436 173 2HB ALA 24 2HB ALA 24 3.395 0.528 3.302 174 3HB ALA 24 3HB ALA 24 3.849 1.146 4.904 175 H CYS 25 H CYS 25 6.583 1.470 2.173 176 HA CYS 25 HA CYS 25 6.238 -0.050 -0.222 177 1HB CYS 25 2HB CYS 25 6.753 2.383 -0.076 178 2HB CYS 25 3HB CYS 25 8.393 1.993 0.478 179 HG CYS 25 HG CYS 25 8.410 2.727 -2.068 180 H ASP 26 H ASP 26 9.156 0.179 1.890 181 HA ASP 26 HA ASP 26 10.713 -1.673 0.372 182 1HB ASP 26 2HB ASP 26 10.946 -0.551 3.178 183 2HB ASP 26 3HB ASP 26 12.033 -1.806 2.603 184 H TRP 27 H TRP 27 8.655 -2.274 3.283 185 HA TRP 27 HA TRP 27 9.484 -4.978 3.661 186 1HB TRP 27 2HB TRP 27 8.252 -3.738 5.365 187 2HB TRP 27 3HB TRP 27 6.826 -3.668 4.322 188 HD1 TRP 27 HD1 TRP 27 8.834 -6.056 6.512 189 HE1 TRP 27 1HE TRP 27 7.567 -8.279 6.813 190 HE3 TRP 27 3HE TRP 27 4.895 -5.198 3.348 191 HZ2 TRP 27 2HZ TRP 27 5.322 -9.610 5.613 192 HZ3 TRP 27 3HZ TRP 27 3.211 -6.982 2.927 193 HH2 TRP 27 HH2 TRP 27 3.445 -9.194 3.988 194 H LEU 28 H LEU 28 6.847 -3.654 1.642 195 HA LEU 28 HA LEU 28 5.722 -6.121 0.795 196 1HB LEU 28 2HB LEU 28 5.889 -3.351 -0.393 197 2HB LEU 28 3HB LEU 28 5.113 -4.644 -1.304 198 HG LEU 28 HG LEU 28 4.253 -3.864 1.515 199 1HD1 LEU 28 1HD1 LEU 28 3.948 -1.944 0.012 200 2HD1 LEU 28 2HD1 LEU 28 2.385 -2.662 0.431 201 3HD1 LEU 28 3HD1 LEU 28 3.108 -2.971 -1.161 202 1HD2 LEU 28 1HD2 LEU 28 2.159 -5.030 0.875 203 2HD2 LEU 28 2HD2 LEU 28 3.543 -6.129 0.803 204 3HD2 LEU 28 3HD2 LEU 28 2.878 -5.462 -0.692 205 H ARG 29 H ARG 29 8.671 -4.573 -0.309 206 HA ARG 29 HA ARG 29 9.123 -6.290 -2.629 207 1HB ARG 29 2HB ARG 29 11.346 -5.058 -0.961 208 2HB ARG 29 3HB ARG 29 11.361 -5.505 -2.653 209 1HG ARG 29 2HG ARG 29 9.986 -3.125 -1.368 210 2HG ARG 29 3HG ARG 29 11.366 -3.128 -2.456 211 1HD ARG 29 2HD ARG 29 9.797 -4.116 -4.235 212 2HD ARG 29 3HD ARG 29 8.469 -3.766 -3.124 213 HE ARG 29 HE ARG 29 8.800 -1.443 -3.411 214 1HH1 ARG 29 1HH1 ARG 29 11.271 -3.140 -5.209 215 2HH1 ARG 29 2HH1 ARG 29 11.772 -1.711 -6.068 216 1HH2 ARG 29 1HH2 ARG 29 9.458 0.345 -4.550 217 2HH2 ARG 29 2HH2 ARG 29 10.780 0.219 -5.669 218 H ALA 30 H ALA 30 10.493 -6.371 0.650 219 HA ALA 30 HA ALA 30 11.811 -8.884 0.429 220 1HB ALA 30 1HB ALA 30 12.000 -8.714 2.882 221 2HB ALA 30 2HB ALA 30 12.340 -7.153 2.109 222 3HB ALA 30 3HB ALA 30 10.771 -7.430 2.903 223 H ALA 31 H ALA 31 8.486 -8.144 1.363 224 HA ALA 31 HA ALA 31 7.662 -10.691 2.314 225 1HB ALA 31 1HB ALA 31 6.067 -8.518 0.883 226 2HB ALA 31 2HB ALA 31 5.418 -9.772 1.955 227 3HB ALA 31 3HB ALA 31 6.490 -8.517 2.607 228 H GLY 32 H GLY 32 8.471 -9.816 -0.932 229 1HA GLY 32 2HA GLY 32 8.535 -11.241 -2.788 230 2HA GLY 32 1HA GLY 32 7.432 -12.369 -2.000 231 H PHE 33 H PHE 33 6.316 -9.095 -1.930 232 HA PHE 33 HA PHE 33 4.679 -9.448 -4.403 233 1HB PHE 33 2HB PHE 33 3.582 -8.464 -1.757 234 2HB PHE 33 3HB PHE 33 2.718 -8.663 -3.280 235 HD1 PHE 33 1HD PHE 33 2.589 -11.053 -4.307 236 HD2 PHE 33 2HD PHE 33 3.533 -10.234 -0.174 237 HE1 PHE 33 1HE PHE 33 1.893 -13.353 -3.686 238 HE2 PHE 33 2HE PHE 33 2.835 -12.537 0.438 239 HZ PHE 33 HZ PHE 33 2.012 -14.099 -1.317 240 HA PRO 34 HA PRO 34 6.822 -5.280 -4.059 241 1HB PRO 34 2HB PRO 34 8.248 -5.291 -6.399 242 2HB PRO 34 3HB PRO 34 8.825 -6.088 -4.906 243 1HG PRO 34 2HG PRO 34 7.362 -7.378 -7.227 244 2HG PRO 34 3HG PRO 34 8.889 -7.908 -6.446 245 1HD PRO 34 2HD PRO 34 6.506 -8.991 -5.744 246 2HD PRO 34 3HD PRO 34 7.755 -8.638 -4.510 247 H GLN 35 H GLN 35 4.782 -6.789 -6.432 248 HA GLN 35 HA GLN 35 4.161 -4.696 -8.204 249 1HB GLN 35 2HB GLN 35 3.397 -7.040 -8.417 250 2HB GLN 35 3HB GLN 35 2.309 -6.820 -7.038 251 1HG GLN 35 2HG GLN 35 1.080 -5.049 -8.328 252 2HG GLN 35 3HG GLN 35 2.170 -5.314 -9.693 253 1HE2 GLN 35 1HE2 GLN 35 -0.543 -6.683 -7.817 254 2HE2 GLN 35 2HE2 GLN 35 -0.878 -7.953 -8.988 255 H TYR 36 H TYR 36 2.627 -5.381 -5.007 256 HA TYR 36 HA TYR 36 0.766 -3.245 -5.042 257 1HB TYR 36 2HB TYR 36 2.216 -4.524 -2.705 258 2HB TYR 36 3HB TYR 36 0.859 -3.421 -2.544 259 HD1 TYR 36 2HD TYR 36 -1.305 -4.109 -4.045 260 HD2 TYR 36 1HD TYR 36 1.730 -6.790 -2.570 261 HE1 TYR 36 2HE TYR 36 -2.892 -6.027 -4.252 262 HE2 TYR 36 1HE TYR 36 0.151 -8.710 -2.797 263 HH TYR 36 HH TYR 36 -1.944 -9.378 -3.425 264 H ALA 37 H ALA 37 4.127 -3.223 -3.764 265 HA ALA 37 HA ALA 37 4.179 -0.472 -2.998 266 1HB ALA 37 1HB ALA 37 6.427 -2.347 -3.850 267 2HB ALA 37 2HB ALA 37 6.634 -0.777 -3.044 268 3HB ALA 37 3HB ALA 37 5.807 -2.091 -2.203 269 H GLN 38 H GLN 38 5.110 -1.992 -6.132 270 HA GLN 38 HA GLN 38 5.955 0.391 -7.463 271 1HB GLN 38 2HB GLN 38 4.842 -2.274 -8.379 272 2HB GLN 38 3HB GLN 38 5.106 -0.994 -9.552 273 1HG GLN 38 2HG GLN 38 7.270 -2.000 -7.654 274 2HG GLN 38 3HG GLN 38 7.023 -2.633 -9.278 275 1HE2 GLN 38 1HE2 GLN 38 9.206 -0.784 -7.821 276 2HE2 GLN 38 2HE2 GLN 38 9.448 0.429 -9.080 277 H LEU 39 H LEU 39 2.691 -0.832 -6.914 278 HA LEU 39 HA LEU 39 1.362 1.128 -8.600 279 1HB LEU 39 2HB LEU 39 0.597 -1.114 -6.765 280 2HB LEU 39 3HB LEU 39 -0.589 0.148 -6.970 281 HG LEU 39 HG LEU 39 -0.581 -0.145 -9.406 282 1HD1 LEU 39 1HD1 LEU 39 0.513 -2.003 -10.515 283 2HD1 LEU 39 2HD1 LEU 39 1.274 -2.517 -9.006 284 3HD1 LEU 39 3HD1 LEU 39 1.744 -0.986 -9.767 285 1HD2 LEU 39 1HD2 LEU 39 -2.135 -1.471 -8.014 286 2HD2 LEU 39 2HD2 LEU 39 -0.918 -2.760 -7.867 287 3HD2 LEU 39 3HD2 LEU 39 -1.638 -2.384 -9.456 288 H TYR 40 H TYR 40 2.957 1.714 -5.710 289 HA TYR 40 HA TYR 40 1.176 3.444 -4.328 290 1HB TYR 40 2HB TYR 40 3.276 2.642 -3.320 291 2HB TYR 40 3HB TYR 40 4.204 3.513 -4.526 292 HD1 TYR 40 1HD TYR 40 1.213 4.739 -2.541 293 HD2 TYR 40 2HD TYR 40 5.475 5.009 -3.234 294 HE1 TYR 40 1HE TYR 40 1.320 6.751 -1.108 295 HE2 TYR 40 2HE TYR 40 5.572 7.009 -1.749 296 HH TYR 40 HH TYR 40 2.651 8.392 -0.215 297 H GLU 41 H GLU 41 3.773 4.432 -6.617 298 HA GLU 41 HA GLU 41 2.992 7.193 -6.670 299 1HB GLU 41 2HB GLU 41 4.612 5.551 -8.660 300 2HB GLU 41 3HB GLU 41 4.426 7.309 -8.719 301 1HG GLU 41 2HG GLU 41 5.396 7.468 -6.414 302 2HG GLU 41 3HG GLU 41 5.707 5.729 -6.451 303 H ASP 42 H ASP 42 1.703 4.470 -8.391 304 HA ASP 42 HA ASP 42 0.259 6.059 -10.389 305 1HB ASP 42 2HB ASP 42 1.148 3.549 -10.480 306 2HB ASP 42 3HB ASP 42 -0.404 3.188 -9.735 307 H SER 43 H SER 43 -0.187 5.674 -7.129 308 HA SER 43 HA SER 43 -1.807 5.893 -5.621 309 1HB SER 43 2HB SER 43 -2.116 7.993 -7.107 310 2HB SER 43 3HB SER 43 -3.612 7.216 -7.646 311 HG SER 43 HG SER 43 -2.842 8.048 -5.029 312 H GLN 44 H GLN 44 -1.743 3.446 -7.054 313 HA GLN 44 HA GLN 44 -4.567 2.502 -7.198 314 1HB GLN 44 2HB GLN 44 -1.928 1.472 -8.258 315 2HB GLN 44 3HB GLN 44 -3.369 0.458 -8.249 316 1HG GLN 44 2HG GLN 44 -3.241 3.164 -9.614 317 2HG GLN 44 3HG GLN 44 -2.891 1.634 -10.409 318 1HE2 GLN 44 1HE2 GLN 44 -5.264 3.825 -10.410 319 2HE2 GLN 44 2HE2 GLN 44 -6.641 2.732 -10.536 320 H PHE 45 H PHE 45 -2.799 2.907 -4.636 321 HA PHE 45 HA PHE 45 -2.691 0.334 -3.342 322 1HB PHE 45 2HB PHE 45 -2.485 3.176 -2.490 323 2HB PHE 45 3HB PHE 45 -3.111 2.073 -1.280 324 HD1 PHE 45 1HD PHE 45 -0.402 1.752 -3.914 325 HD2 PHE 45 2HD PHE 45 -1.490 1.457 0.247 326 HE1 PHE 45 1HE PHE 45 1.871 0.954 -3.360 327 HE2 PHE 45 2HE PHE 45 0.792 0.614 0.776 328 HZ PHE 45 HZ PHE 45 2.474 0.360 -1.033 329 HA PRO 46 HA PRO 46 -7.080 0.938 -1.645 330 1HB PRO 46 2HB PRO 46 -8.728 2.994 -2.395 331 2HB PRO 46 3HB PRO 46 -7.532 3.102 -1.090 332 1HG PRO 46 2HG PRO 46 -7.226 4.026 -3.961 333 2HG PRO 46 3HG PRO 46 -6.829 4.924 -2.461 334 1HD PRO 46 2HD PRO 46 -4.949 3.588 -3.903 335 2HD PRO 46 3HD PRO 46 -4.875 3.680 -2.120 336 H ILE 47 H ILE 47 -6.963 -0.870 -3.119 337 HA ILE 47 HA ILE 47 -9.154 -0.789 -5.163 338 HB ILE 47 HB ILE 47 -7.947 -2.477 -6.489 339 1HG1 ILE 47 2HG1 ILE 47 -5.352 -1.655 -5.149 340 2HG1 ILE 47 3HG1 ILE 47 -6.242 -3.016 -4.519 341 1HG2 ILE 47 1HG2 ILE 47 -6.535 0.208 -6.241 342 2HG2 ILE 47 2HG2 ILE 47 -6.540 -0.850 -7.662 343 3HG2 ILE 47 3HG2 ILE 47 -8.046 -0.096 -7.117 344 1HD1 ILE 47 1HD1 ILE 47 -4.542 -3.765 -6.109 345 2HD1 ILE 47 2HD1 ILE 47 -6.171 -4.158 -6.691 346 3HD1 ILE 47 3HD1 ILE 47 -5.276 -2.792 -7.399 347 H ASN 48 H ASN 48 -10.289 -1.307 -3.138 348 HA ASN 48 HA ASN 48 -11.363 -2.720 -1.695 349 1HB ASN 48 2HB ASN 48 -12.304 -3.285 -3.946 350 2HB ASN 48 3HB ASN 48 -11.185 -4.646 -4.043 351 1HD2 ASN 48 1HD2 ASN 48 -13.545 -5.543 -4.371 352 2HD2 ASN 48 2HD2 ASN 48 -14.274 -6.153 -2.890 353 H ILE 49 H ILE 49 -9.114 -2.569 -0.654 354 HA ILE 49 HA ILE 49 -7.272 -4.677 -0.557 355 HB ILE 49 HB ILE 49 -8.026 -2.741 1.656 356 1HG1 ILE 49 2HG1 ILE 49 -5.675 -2.582 -0.286 357 2HG1 ILE 49 3HG1 ILE 49 -7.209 -1.800 -0.621 358 1HG2 ILE 49 1HG2 ILE 49 -6.765 -4.623 2.624 359 2HG2 ILE 49 2HG2 ILE 49 -5.544 -4.500 1.341 360 3HG2 ILE 49 3HG2 ILE 49 -5.723 -3.217 2.555 361 1HD1 ILE 49 1HD1 ILE 49 -5.667 -0.190 0.314 362 2HD1 ILE 49 2HD1 ILE 49 -7.038 -0.442 1.413 363 3HD1 ILE 49 3HD1 ILE 49 -5.457 -1.162 1.779 364 H VAL 50 H VAL 50 -10.290 -4.342 1.214 365 HA VAL 50 HA VAL 50 -10.085 -6.510 3.026 366 HB VAL 50 HB VAL 50 -12.628 -5.439 1.759 367 1HG1 VAL 50 1HG1 VAL 50 -13.655 -6.147 3.922 368 2HG1 VAL 50 2HG1 VAL 50 -13.023 -7.522 3.016 369 3HG1 VAL 50 3HG1 VAL 50 -12.110 -6.882 4.403 370 1HG2 VAL 50 1HG2 VAL 50 -12.736 -3.985 3.796 371 2HG2 VAL 50 2HG2 VAL 50 -11.099 -4.517 4.241 372 3HG2 VAL 50 3HG2 VAL 50 -11.373 -3.571 2.761 373 H ALA 51 H ALA 51 -11.020 -6.555 -0.424 374 HA ALA 51 HA ALA 51 -11.798 -9.365 -0.386 375 1HB ALA 51 1HB ALA 51 -12.687 -7.869 -2.078 376 2HB ALA 51 2HB ALA 51 -11.052 -7.534 -2.705 377 3HB ALA 51 3HB ALA 51 -11.748 -9.162 -2.837 378 H VAL 52 H VAL 52 -8.811 -7.655 -1.539 379 HA VAL 52 HA VAL 52 -7.550 -10.073 -2.352 380 HB VAL 52 HB VAL 52 -5.499 -8.961 -2.627 381 1HG1 VAL 52 1HG1 VAL 52 -7.686 -6.936 -3.251 382 2HG1 VAL 52 2HG1 VAL 52 -6.118 -7.115 -4.058 383 3HG1 VAL 52 3HG1 VAL 52 -7.333 -8.394 -4.207 384 1HG2 VAL 52 1HG2 VAL 52 -5.029 -6.658 -1.915 385 2HG2 VAL 52 2HG2 VAL 52 -6.546 -6.632 -1.002 386 3HG2 VAL 52 3HG2 VAL 52 -5.231 -7.726 -0.525 387 H LYS 53 H LYS 53 -7.547 -8.581 0.844 388 HA LYS 53 HA LYS 53 -5.665 -10.491 1.972 389 1HB LYS 53 2HB LYS 53 -6.303 -9.669 4.141 390 2HB LYS 53 3HB LYS 53 -6.048 -8.326 3.035 391 1HG LYS 53 2HG LYS 53 -8.515 -8.127 2.796 392 2HG LYS 53 3HG LYS 53 -8.741 -9.415 3.961 393 1HD LYS 53 2HD LYS 53 -7.306 -6.817 4.541 394 2HD LYS 53 3HD LYS 53 -9.003 -7.099 4.903 395 1HE LYS 53 2HE LYS 53 -6.725 -8.767 6.058 396 2HE LYS 53 3HE LYS 53 -7.460 -7.383 6.868 397 1HZ LYS 53 1HZ LYS 53 -9.003 -9.805 6.058 398 2HZ LYS 53 2HZ LYS 53 -9.568 -8.534 6.912 399 3HZ LYS 53 3HZ LYS 53 -8.447 -9.511 7.571 400 H ASN 54 H ASN 54 -9.243 -10.414 2.054 401 HA ASN 54 HA ASN 54 -9.441 -12.885 3.526 402 1HB ASN 54 2HB ASN 54 -11.481 -11.242 1.968 403 2HB ASN 54 3HB ASN 54 -11.898 -12.661 2.915 404 1HD2 ASN 54 1HD2 ASN 54 -13.171 -10.368 3.544 405 2HD2 ASN 54 2HD2 ASN 54 -12.568 -9.787 5.091 406 H ASP 55 H ASP 55 -8.844 -12.418 0.193 407 HA ASP 55 HA ASP 55 -10.104 -14.622 -1.003 408 1HB ASP 55 2HB ASP 55 -8.820 -12.670 -2.052 409 2HB ASP 55 3HB ASP 55 -7.339 -13.550 -1.685 410 H HIS 56 H HIS 56 -7.247 -14.595 1.011 411 HA HIS 56 HA HIS 56 -5.681 -16.135 1.645 412 1HB HIS 56 2HB HIS 56 -8.161 -17.869 1.838 413 2HB HIS 56 3HB HIS 56 -6.654 -18.113 2.715 414 HD1 HIS 56 1HD HIS 56 -9.634 -17.481 4.004 415 HD2 HIS 56 2HD HIS 56 -6.260 -14.969 3.659 416 HE1 HIS 56 1HE HIS 56 -9.847 -15.733 5.848 417 H ASP 57 H ASP 57 -5.714 -16.021 -1.161 418 HA ASP 57 HA ASP 57 -5.804 -18.569 -2.444 419 1HB ASP 57 2HB ASP 57 -6.051 -16.415 -3.579 420 2HB ASP 57 3HB ASP 57 -4.372 -16.000 -3.226 421 H PHE 58 H PHE 58 -3.030 -16.780 -1.099 422 HA PHE 58 HA PHE 58 -1.048 -18.819 -1.819 423 1HB PHE 58 2HB PHE 58 -1.055 -16.141 -0.497 424 2HB PHE 58 3HB PHE 58 0.154 -17.257 0.094 425 HD1 PHE 58 1HD PHE 58 -1.203 -15.925 -3.171 426 HD2 PHE 58 2HD PHE 58 2.204 -17.481 -1.020 427 HE1 PHE 58 1HE PHE 58 0.250 -15.477 -5.134 428 HE2 PHE 58 2HE PHE 58 3.649 -17.025 -2.982 429 HZ PHE 58 HZ PHE 58 2.677 -16.028 -5.045 430 H LEU 59 H LEU 59 0.259 -19.946 -0.293 431 HA LEU 59 HA LEU 59 -1.195 -21.572 1.553 432 1HB LEU 59 2HB LEU 59 1.790 -21.134 1.117 433 2HB LEU 59 3HB LEU 59 1.146 -22.352 2.205 434 HG LEU 59 HG LEU 59 0.608 -22.278 -0.796 435 1HD1 LEU 59 1HD1 LEU 59 2.494 -24.012 0.858 436 2HD1 LEU 59 2HD1 LEU 59 2.972 -22.733 -0.278 437 3HD1 LEU 59 3HD1 LEU 59 2.169 -24.189 -0.879 438 1HD2 LEU 59 1HD2 LEU 59 0.004 -24.392 1.327 439 2HD2 LEU 59 2HD2 LEU 59 -0.145 -24.634 -0.429 440 3HD2 LEU 59 3HD2 LEU 59 -1.190 -23.462 0.384 441 H GLU 60 H GLU 60 1.275 -19.089 2.245 442 HA GLU 60 HA GLU 60 0.933 -19.420 5.125 443 1HB GLU 60 2HB GLU 60 2.796 -17.812 5.300 444 2HB GLU 60 3HB GLU 60 3.124 -19.291 4.399 445 1HG GLU 60 2HG GLU 60 2.856 -18.014 2.252 446 2HG GLU 60 3HG GLU 60 2.703 -16.527 3.188 447 H LYS 61 H LYS 61 -1.122 -18.724 5.631 448 HA LYS 61 HA LYS 61 -2.249 -16.216 4.978 449 1HB LYS 61 2HB LYS 61 -3.919 -16.646 6.558 450 2HB LYS 61 3HB LYS 61 -3.415 -18.233 5.980 451 1HG LYS 61 2HG LYS 61 -1.949 -18.410 8.069 452 2HG LYS 61 3HG LYS 61 -2.696 -16.900 8.632 453 1HD LYS 61 2HD LYS 61 -4.960 -18.050 8.344 454 2HD LYS 61 3HD LYS 61 -4.080 -19.566 8.118 455 1HE LYS 61 2HE LYS 61 -3.993 -17.739 10.569 456 2HE LYS 61 3HE LYS 61 -4.882 -19.258 10.441 457 1HZ LYS 61 1HZ LYS 61 -2.731 -20.402 10.153 458 2HZ LYS 61 2HZ LYS 61 -2.794 -19.612 11.577 459 3HZ LYS 61 3HZ LYS 61 -1.924 -18.991 10.350 460 H ASP 62 H ASP 62 0.248 -16.792 7.315 461 HA ASP 62 HA ASP 62 -0.180 -14.461 8.935 462 1HB ASP 62 2HB ASP 62 1.186 -16.486 9.527 463 2HB ASP 62 3HB ASP 62 2.443 -15.907 8.428 464 H LEU 63 H LEU 63 1.089 -14.688 5.716 465 HA LEU 63 HA LEU 63 2.439 -12.077 5.694 466 1HB LEU 63 2HB LEU 63 1.718 -14.226 3.720 467 2HB LEU 63 3HB LEU 63 1.833 -12.616 3.073 468 HG LEU 63 HG LEU 63 3.893 -13.981 2.854 469 1HD1 LEU 63 1HD1 LEU 63 3.938 -11.520 2.739 470 2HD1 LEU 63 2HD1 LEU 63 5.441 -12.185 3.395 471 3HD1 LEU 63 3HD1 LEU 63 4.253 -11.443 4.488 472 1HD2 LEU 63 1HD2 LEU 63 3.858 -15.087 5.093 473 2HD2 LEU 63 2HD2 LEU 63 4.277 -13.533 5.842 474 3HD2 LEU 63 3HD2 LEU 63 5.403 -14.307 4.714 475 H VAL 64 H VAL 64 -0.869 -13.085 5.584 476 HA VAL 64 HA VAL 64 -1.899 -10.915 3.965 477 HB VAL 64 HB VAL 64 -3.317 -12.834 5.849 478 1HG1 VAL 64 1HG1 VAL 64 -5.334 -12.282 4.537 479 2HG1 VAL 64 2HG1 VAL 64 -4.750 -10.927 5.494 480 3HG1 VAL 64 3HG1 VAL 64 -4.417 -10.975 3.747 481 1HG2 VAL 64 1HG2 VAL 64 -2.140 -13.930 3.893 482 2HG2 VAL 64 2HG2 VAL 64 -3.903 -14.045 3.782 483 3HG2 VAL 64 3HG2 VAL 64 -3.029 -12.843 2.799 484 H GLU 65 H GLU 65 -1.414 -11.335 7.431 485 HA GLU 65 HA GLU 65 -2.775 -9.011 8.402 486 1HB GLU 65 2HB GLU 65 -0.562 -10.782 9.389 487 2HB GLU 65 3HB GLU 65 -0.734 -9.212 10.155 488 1HG GLU 65 2HG GLU 65 -2.968 -11.263 9.879 489 2HG GLU 65 3HG GLU 65 -1.932 -11.094 11.294 490 HA PRO 66 HA PRO 66 1.093 -6.327 7.831 491 1HB PRO 66 2HB PRO 66 3.318 -7.168 6.514 492 2HB PRO 66 3HB PRO 66 3.044 -7.381 8.263 493 1HG PRO 66 2HG PRO 66 2.526 -9.411 6.072 494 2HG PRO 66 3HG PRO 66 3.396 -9.651 7.618 495 1HD PRO 66 2HD PRO 66 0.796 -10.330 7.305 496 2HD PRO 66 3HD PRO 66 1.384 -9.618 8.837 497 H LEU 67 H LEU 67 0.310 -8.461 5.043 498 HA LEU 67 HA LEU 67 0.571 -6.567 2.948 499 1HB LEU 67 2HB LEU 67 0.032 -8.908 2.525 500 2HB LEU 67 3HB LEU 67 -1.484 -8.757 3.406 501 HG LEU 67 HG LEU 67 -2.338 -7.173 1.671 502 1HD1 LEU 67 1HD1 LEU 67 -1.180 -7.062 -0.500 503 2HD1 LEU 67 2HD1 LEU 67 0.201 -7.957 0.172 504 3HD1 LEU 67 3HD1 LEU 67 -0.199 -6.328 0.771 505 1HD2 LEU 67 1HD2 LEU 67 -2.714 -8.891 -0.043 506 2HD2 LEU 67 2HD2 LEU 67 -2.885 -9.558 1.587 507 3HD2 LEU 67 3HD2 LEU 67 -1.410 -9.883 0.648 508 H CYS 68 H CYS 68 -2.375 -7.206 4.927 509 HA CYS 68 HA CYS 68 -3.849 -4.948 3.988 510 1HB CYS 68 2HB CYS 68 -4.803 -6.913 5.209 511 2HB CYS 68 3HB CYS 68 -4.048 -6.325 6.704 512 HG CYS 68 HG CYS 68 -5.163 -3.829 6.431 513 H ARG 69 H ARG 69 -1.756 -5.246 6.894 514 HA ARG 69 HA ARG 69 -2.144 -2.592 7.882 515 1HB ARG 69 2HB ARG 69 -0.207 -4.781 8.387 516 2HB ARG 69 3HB ARG 69 0.476 -3.177 8.611 517 1HG ARG 69 2HG ARG 69 -0.358 -3.864 10.719 518 2HG ARG 69 3HG ARG 69 -1.425 -2.594 10.118 519 1HD ARG 69 2HD ARG 69 -2.996 -4.475 9.321 520 2HD ARG 69 3HD ARG 69 -1.939 -5.597 10.173 521 HE ARG 69 HE ARG 69 -2.664 -4.766 12.252 522 1HH1 ARG 69 1HH1 ARG 69 -4.233 -2.925 9.727 523 2HH1 ARG 69 2HH1 ARG 69 -5.310 -2.130 10.842 524 1HH2 ARG 69 1HH2 ARG 69 -4.049 -3.713 13.625 525 2HH2 ARG 69 2HH2 ARG 69 -5.206 -2.581 12.991 526 H ARG 70 H ARG 70 0.605 -3.651 5.815 527 HA ARG 70 HA ARG 70 1.665 -0.975 5.564 528 1HB ARG 70 2HB ARG 70 2.033 -3.362 3.693 529 2HB ARG 70 3HB ARG 70 2.951 -1.869 3.632 530 1HG ARG 70 2HG ARG 70 3.115 -4.077 5.678 531 2HG ARG 70 3HG ARG 70 4.369 -3.344 4.692 532 1HD ARG 70 2HD ARG 70 3.892 -1.187 6.120 533 2HD ARG 70 3HD ARG 70 3.100 -2.288 7.235 534 HE ARG 70 HE ARG 70 5.961 -1.982 6.736 535 1HH1 ARG 70 1HH1 ARG 70 3.671 -4.341 7.921 536 2HH1 ARG 70 2HH1 ARG 70 4.899 -5.211 8.804 537 1HH2 ARG 70 1HH2 ARG 70 7.458 -3.110 7.893 538 2HH2 ARG 70 2HH2 ARG 70 6.979 -4.527 8.773 539 H LEU 71 H LEU 71 -0.643 -2.704 3.466 540 HA LEU 71 HA LEU 71 -0.941 -0.587 1.547 541 1HB LEU 71 2HB LEU 71 -2.850 -2.751 2.482 542 2HB LEU 71 3HB LEU 71 -3.253 -1.594 1.219 543 HG LEU 71 HG LEU 71 -0.856 -3.467 1.038 544 1HD1 LEU 71 1HD1 LEU 71 -3.603 -3.697 -0.263 545 2HD1 LEU 71 2HD1 LEU 71 -2.988 -4.728 1.057 546 3HD1 LEU 71 3HD1 LEU 71 -2.210 -4.767 -0.536 547 1HD2 LEU 71 1HD2 LEU 71 -2.206 -1.610 -0.964 548 2HD2 LEU 71 2HD2 LEU 71 -1.083 -2.904 -1.419 549 3HD2 LEU 71 3HD2 LEU 71 -0.517 -1.585 -0.407 550 H ASN 72 H ASN 72 -2.899 -1.219 4.513 551 HA ASN 72 HA ASN 72 -4.479 1.109 4.403 552 1HB ASN 72 2HB ASN 72 -4.939 -0.807 5.855 553 2HB ASN 72 3HB ASN 72 -3.499 -0.470 6.815 554 1HD2 ASN 72 1HD2 ASN 72 -3.685 1.018 8.531 555 2HD2 ASN 72 2HD2 ASN 72 -5.154 1.954 8.784 556 H THR 73 H THR 73 -1.250 0.768 5.944 557 HA THR 73 HA THR 73 -1.020 3.273 7.170 558 HB THR 73 HB THR 73 1.119 1.611 5.791 559 HG1 THR 73 1HG THR 73 1.503 1.052 8.001 560 1HG2 THR 73 1HG2 THR 73 1.442 3.886 7.795 561 2HG2 THR 73 2HG2 THR 73 2.013 3.889 6.108 562 3HG2 THR 73 3HG2 THR 73 2.725 2.765 7.263 563 H LEU 74 H LEU 74 0.012 2.532 3.798 564 HA LEU 74 HA LEU 74 0.483 5.356 3.191 565 1HB LEU 74 2HB LEU 74 0.450 2.771 1.628 566 2HB LEU 74 3HB LEU 74 0.538 4.309 0.774 567 HG LEU 74 HG LEU 74 2.535 3.423 2.909 568 1HD1 LEU 74 1HD1 LEU 74 4.101 3.148 0.998 569 2HD1 LEU 74 2HD1 LEU 74 2.751 3.429 -0.127 570 3HD1 LEU 74 3HD1 LEU 74 2.758 2.010 0.950 571 1HD2 LEU 74 1HD2 LEU 74 3.880 5.302 1.731 572 2HD2 LEU 74 2HD2 LEU 74 2.598 5.797 2.847 573 3HD2 LEU 74 3HD2 LEU 74 2.326 5.847 1.095 574 H ASN 75 H ASN 75 -2.327 3.254 2.929 575 HA ASN 75 HA ASN 75 -3.826 4.747 1.096 576 1HB ASN 75 2HB ASN 75 -4.317 2.452 2.165 577 2HB ASN 75 3HB ASN 75 -5.069 3.357 3.484 578 1HD2 ASN 75 1HD2 ASN 75 -6.880 1.848 2.567 579 2HD2 ASN 75 2HD2 ASN 75 -7.843 2.593 1.297 580 H LYS 76 H LYS 76 -3.298 5.444 4.514 581 HA LYS 76 HA LYS 76 -5.179 7.487 4.997 582 1HB LYS 76 2HB LYS 76 -3.666 6.532 6.702 583 2HB LYS 76 3HB LYS 76 -2.284 7.267 5.904 584 1HG LYS 76 2HG LYS 76 -2.734 8.517 7.835 585 2HG LYS 76 3HG LYS 76 -3.149 9.539 6.478 586 1HD LYS 76 2HD LYS 76 -5.224 7.958 8.072 587 2HD LYS 76 3HD LYS 76 -4.654 9.562 8.544 588 1HE LYS 76 2HE LYS 76 -5.381 10.443 6.296 589 2HE LYS 76 3HE LYS 76 -6.126 8.875 5.970 590 1HZ LYS 76 1HZ LYS 76 -7.744 10.414 6.886 591 2HZ LYS 76 2HZ LYS 76 -6.845 10.676 8.220 592 3HZ LYS 76 3HZ LYS 76 -7.513 9.208 7.960 593 H CYS 77 H CYS 77 -2.071 7.764 3.320 594 HA CYS 77 HA CYS 77 -2.503 10.630 2.674 595 1HB CYS 77 2HB CYS 77 -0.280 8.658 1.994 596 2HB CYS 77 3HB CYS 77 -0.317 10.354 1.472 597 HG CYS 77 HG CYS 77 -0.667 9.332 4.612 598 H ALA 78 H ALA 78 -2.600 7.468 0.953 599 HA ALA 78 HA ALA 78 -2.863 8.577 -1.647 600 1HB ALA 78 1HB ALA 78 -2.172 6.233 -1.089 601 2HB ALA 78 2HB ALA 78 -3.877 5.870 -0.714 602 3HB ALA 78 3HB ALA 78 -3.411 6.340 -2.354 603 H SER 79 H SER 79 -5.463 7.796 0.704 604 HA SER 79 HA SER 79 -7.686 8.216 -1.056 605 1HB SER 79 2HB SER 79 -7.368 8.506 1.951 606 2HB SER 79 3HB SER 79 -8.909 8.780 1.119 607 HG SER 79 HG SER 79 -8.659 6.611 1.878 608 H MET 80 H MET 80 -5.691 10.530 0.699 609 HA MET 80 HA MET 80 -7.409 12.854 0.298 610 1HB MET 80 2HB MET 80 -5.846 12.621 2.196 611 2HB MET 80 3HB MET 80 -4.473 12.609 1.084 612 1HG MET 80 2HG MET 80 -5.008 14.895 0.363 613 2HG MET 80 3HG MET 80 -6.438 14.908 1.408 614 1HE MET 80 1HE MET 80 -3.869 17.458 3.046 615 2HE MET 80 2HE MET 80 -3.974 17.084 1.312 616 3HE MET 80 3HE MET 80 -5.459 17.279 2.272 617 H LYS 81 H LYS 81 -7.611 13.976 -1.536 618 HA LYS 81 HA LYS 81 -6.317 13.315 -3.988 619 1HB LYS 81 2HB LYS 81 -8.604 14.397 -3.593 620 2HB LYS 81 3HB LYS 81 -7.770 15.939 -3.444 621 1HG LYS 81 2HG LYS 81 -7.415 14.107 -5.858 622 2HG LYS 81 3HG LYS 81 -8.797 15.175 -5.735 623 1HD LYS 81 2HD LYS 81 -5.943 16.219 -5.612 624 2HD LYS 81 3HD LYS 81 -6.800 15.998 -7.122 625 1HE LYS 81 2HE LYS 81 -7.923 17.691 -4.850 626 2HE LYS 81 3HE LYS 81 -6.801 18.339 -6.048 627 1HZ LYS 81 1HZ LYS 81 -9.436 17.138 -6.707 628 2HZ LYS 81 2HZ LYS 81 -8.374 17.741 -7.794 629 3HZ LYS 81 3HZ LYS 81 -9.089 18.733 -6.717 Start of MODEL 3 1 1H MET 1 1H MET 1 28.350 -0.940 -1.039 2 2H MET 1 2H MET 1 29.416 -0.782 -2.263 3 3H MET 1 3H MET 1 28.349 -2.023 -2.273 4 HA MET 1 HA MET 1 27.683 0.835 -2.419 5 1HB MET 1 2HB MET 1 28.795 -0.089 -4.492 6 2HB MET 1 3HB MET 1 27.427 -1.182 -4.695 7 1HG MET 1 2HG MET 1 27.177 0.791 -6.089 8 2HG MET 1 3HG MET 1 25.901 0.770 -4.872 9 1HE MET 1 1HE MET 1 25.447 3.333 -5.659 10 2HE MET 1 2HE MET 1 26.682 4.609 -5.586 11 3HE MET 1 3HE MET 1 26.847 3.285 -6.758 12 H HIS 2 H HIS 2 26.086 -2.347 -3.262 13 HA HIS 2 HA HIS 2 23.545 -1.247 -2.193 14 1HB HIS 2 2HB HIS 2 24.125 -3.715 -3.870 15 2HB HIS 2 3HB HIS 2 22.530 -3.097 -3.445 16 HD1 HIS 2 1HD HIS 2 22.526 -0.151 -4.265 17 HD2 HIS 2 2HD HIS 2 24.621 -3.165 -6.351 18 HE1 HIS 2 1HE HIS 2 22.921 0.748 -6.614 19 H HIS 3 H HIS 3 22.353 -2.215 -0.619 20 HA HIS 3 HA HIS 3 22.951 -4.797 0.571 21 1HB HIS 3 2HB HIS 3 23.289 -3.836 2.875 22 2HB HIS 3 3HB HIS 3 24.625 -3.565 1.774 23 HD1 HIS 3 1HD HIS 3 25.307 -1.047 1.328 24 HD2 HIS 3 2HD HIS 3 21.689 -1.595 3.428 25 HE1 HIS 3 1HE HIS 3 24.593 1.259 2.134 26 H HIS 4 H HIS 4 21.361 -5.373 2.218 27 HA HIS 4 HA HIS 4 18.934 -3.669 2.465 28 1HB HIS 4 2HB HIS 4 18.954 -6.566 1.547 29 2HB HIS 4 3HB HIS 4 17.526 -5.737 2.161 30 HD1 HIS 4 1HD HIS 4 16.846 -3.393 0.669 31 HD2 HIS 4 2HD HIS 4 19.277 -6.385 -1.048 32 HE1 HIS 4 1HE HIS 4 16.747 -3.033 -1.848 33 H HIS 5 H HIS 5 20.098 -3.255 4.470 34 HA HIS 5 HA HIS 5 19.202 -5.085 6.625 35 1HB HIS 5 2HB HIS 5 22.011 -3.919 6.418 36 2HB HIS 5 3HB HIS 5 21.356 -4.740 7.831 37 HD1 HIS 5 1HD HIS 5 20.663 -7.465 7.348 38 HD2 HIS 5 2HD HIS 5 23.229 -5.445 4.678 39 HE1 HIS 5 1HE HIS 5 21.851 -9.268 6.000 40 H HIS 6 H HIS 6 19.022 -4.050 8.689 41 HA HIS 6 HA HIS 6 17.938 -1.369 8.595 42 1HB HIS 6 2HB HIS 6 18.538 -3.190 10.960 43 2HB HIS 6 3HB HIS 6 17.575 -1.715 11.009 44 HD1 HIS 6 1HD HIS 6 15.175 -1.836 9.544 45 HD2 HIS 6 2HD HIS 6 17.291 -5.412 10.285 46 HE1 HIS 6 1HE HIS 6 13.547 -3.740 9.084 47 H HIS 7 H HIS 7 19.132 0.423 8.558 48 HA HIS 7 HA HIS 7 21.749 0.563 10.009 49 1HB HIS 7 2HB HIS 7 22.382 2.274 8.459 50 2HB HIS 7 3HB HIS 7 21.820 0.870 7.558 51 HD1 HIS 7 1HD HIS 7 19.501 1.209 6.153 52 HD2 HIS 7 2HD HIS 7 20.926 4.539 8.321 53 HE1 HIS 7 1HE HIS 7 18.124 3.213 5.383 54 H SER 8 H SER 8 18.534 1.855 10.040 55 HA SER 8 HA SER 8 19.258 3.765 12.210 56 1HB SER 8 2HB SER 8 17.389 5.179 11.489 57 2HB SER 8 3HB SER 8 18.615 5.031 10.223 58 HG SER 8 HG SER 8 16.489 4.783 9.394 59 H SER 9 H SER 9 17.620 4.061 13.816 60 HA SER 9 HA SER 9 15.367 2.214 14.039 61 1HB SER 9 2HB SER 9 16.142 1.175 16.131 62 2HB SER 9 3HB SER 9 17.201 0.767 14.779 63 HG SER 9 HG SER 9 18.405 1.349 16.632 64 H GLY 10 H GLY 10 14.263 2.528 16.233 65 1HA GLY 10 2HA GLY 10 14.730 4.807 17.864 66 2HA GLY 10 1HA GLY 10 13.560 5.251 16.617 67 H LEU 11 H LEU 11 12.661 5.522 18.970 68 HA LEU 11 HA LEU 11 10.791 3.277 19.548 69 1HB LEU 11 2HB LEU 11 11.244 3.659 22.012 70 2HB LEU 11 3HB LEU 11 12.465 2.839 21.069 71 HG LEU 11 HG LEU 11 13.899 4.808 21.035 72 1HD1 LEU 11 1HD1 LEU 11 13.392 6.788 22.442 73 2HD1 LEU 11 2HD1 LEU 11 11.745 6.175 22.704 74 3HD1 LEU 11 3HD1 LEU 11 12.284 6.657 21.077 75 1HD2 LEU 11 1HD2 LEU 11 14.478 4.846 23.403 76 2HD2 LEU 11 2HD2 LEU 11 14.034 3.205 22.908 77 3HD2 LEU 11 3HD2 LEU 11 12.880 4.192 23.833 78 H VAL 12 H VAL 12 10.569 6.054 18.312 79 HA VAL 12 HA VAL 12 8.096 6.827 19.758 80 HB VAL 12 HB VAL 12 9.669 8.259 20.705 81 1HG1 VAL 12 1HG1 VAL 12 11.456 8.337 19.017 82 2HG1 VAL 12 2HG1 VAL 12 10.440 9.360 17.979 83 3HG1 VAL 12 3HG1 VAL 12 10.969 9.944 19.563 84 1HG2 VAL 12 1HG2 VAL 12 7.402 9.123 20.218 85 2HG2 VAL 12 2HG2 VAL 12 8.634 10.390 20.306 86 3HG2 VAL 12 3HG2 VAL 12 8.025 9.873 18.725 87 HA PRO 13 HA PRO 13 7.241 6.452 15.273 88 1HB PRO 13 2HB PRO 13 4.833 5.167 15.437 89 2HB PRO 13 3HB PRO 13 6.410 4.333 15.567 90 1HG PRO 13 2HG PRO 13 4.613 5.276 17.821 91 2HG PRO 13 3HG PRO 13 5.381 3.669 17.616 92 1HD PRO 13 2HD PRO 13 6.469 5.596 19.192 93 2HD PRO 13 3HD PRO 13 7.502 4.504 18.223 94 H ARG 14 H ARG 14 5.646 8.047 17.874 95 HA ARG 14 HA ARG 14 3.382 9.247 16.682 96 1HB ARG 14 2HB ARG 14 5.272 10.460 18.750 97 2HB ARG 14 3HB ARG 14 3.663 11.064 18.346 98 1HG ARG 14 2HG ARG 14 2.696 8.847 19.067 99 2HG ARG 14 3HG ARG 14 4.315 8.379 19.631 100 1HD ARG 14 2HD ARG 14 4.358 10.416 21.089 101 2HD ARG 14 3HD ARG 14 2.712 10.800 20.593 102 HE ARG 14 HE ARG 14 3.585 8.767 22.506 103 1HH1 ARG 14 1HH1 ARG 14 0.861 9.630 20.479 104 2HH1 ARG 14 2HH1 ARG 14 -0.269 8.766 21.485 105 1HH2 ARG 14 1HH2 ARG 14 2.103 7.710 23.745 106 2HH2 ARG 14 2HH2 ARG 14 0.427 7.710 23.288 107 H GLY 15 H GLY 15 6.723 10.375 16.534 108 1HA GLY 15 2HA GLY 15 6.008 12.664 14.762 109 2HA GLY 15 1HA GLY 15 7.568 12.350 15.514 110 H SER 16 H SER 16 7.564 9.530 14.546 111 HA SER 16 HA SER 16 9.141 9.950 12.193 112 1HB SER 16 2HB SER 16 8.260 7.359 13.527 113 2HB SER 16 3HB SER 16 9.576 7.537 12.367 114 HG SER 16 HG SER 16 9.470 8.330 15.059 115 H GLN 17 H GLN 17 6.309 10.524 11.641 116 HA GLN 17 HA GLN 17 4.915 8.358 10.455 117 1HB GLN 17 2HB GLN 17 4.613 11.349 9.964 118 2HB GLN 17 3HB GLN 17 3.450 10.107 9.476 119 1HG GLN 17 2HG GLN 17 3.225 9.421 11.889 120 2HG GLN 17 3HG GLN 17 4.239 10.793 12.342 121 1HE2 GLN 17 1HE2 GLN 17 0.995 9.831 11.859 122 2HE2 GLN 17 2HE2 GLN 17 0.325 11.453 11.716 123 H GLU 18 H GLU 18 7.422 10.328 8.952 124 HA GLU 18 HA GLU 18 6.702 9.501 6.214 125 1HB GLU 18 2HB GLU 18 8.726 10.557 5.502 126 2HB GLU 18 3HB GLU 18 7.783 11.645 6.502 127 1HG GLU 18 2HG GLU 18 10.143 10.083 7.631 128 2HG GLU 18 3HG GLU 18 10.356 11.581 6.748 129 H ILE 19 H ILE 19 8.597 8.120 8.809 130 HA ILE 19 HA ILE 19 10.026 6.225 7.074 131 HB ILE 19 HB ILE 19 9.762 6.321 10.107 132 1HG1 ILE 19 2HG1 ILE 19 12.419 6.764 9.508 133 2HG1 ILE 19 3HG1 ILE 19 11.678 7.500 8.097 134 1HG2 ILE 19 1HG2 ILE 19 10.185 4.019 9.433 135 2HG2 ILE 19 2HG2 ILE 19 11.485 4.539 8.332 136 3HG2 ILE 19 3HG2 ILE 19 11.658 4.708 10.094 137 1HD1 ILE 19 1HD1 ILE 19 11.258 8.211 11.029 138 2HD1 ILE 19 2HD1 ILE 19 12.023 9.197 9.771 139 3HD1 ILE 19 3HD1 ILE 19 10.275 8.903 9.724 140 H GLU 20 H GLU 20 6.958 6.263 8.837 141 HA GLU 20 HA GLU 20 6.281 3.493 8.562 142 1HB GLU 20 2HB GLU 20 4.798 6.026 9.038 143 2HB GLU 20 3HB GLU 20 3.878 4.831 8.141 144 1HG GLU 20 2HG GLU 20 3.380 4.478 10.417 145 2HG GLU 20 3HG GLU 20 4.378 3.129 9.898 146 H ALA 21 H ALA 21 5.825 6.167 6.234 147 HA ALA 21 HA ALA 21 4.647 4.624 4.139 148 1HB ALA 21 1HB ALA 21 5.329 6.537 2.709 149 2HB ALA 21 2HB ALA 21 4.581 7.080 4.221 150 3HB ALA 21 3HB ALA 21 6.345 7.159 4.020 151 H LYS 22 H LYS 22 8.068 5.460 4.755 152 HA LYS 22 HA LYS 22 9.230 4.059 2.553 153 1HB LYS 22 2HB LYS 22 10.376 5.758 4.039 154 2HB LYS 22 3HB LYS 22 10.511 4.506 5.285 155 1HG LYS 22 2HG LYS 22 11.765 3.076 3.622 156 2HG LYS 22 3HG LYS 22 11.682 4.418 2.466 157 1HD LYS 22 2HD LYS 22 12.898 5.851 4.150 158 2HD LYS 22 3HD LYS 22 13.080 4.430 5.185 159 1HE LYS 22 2HE LYS 22 14.159 4.750 2.340 160 2HE LYS 22 3HE LYS 22 15.105 4.922 3.820 161 1HZ LYS 22 1HZ LYS 22 14.620 2.571 4.317 162 2HZ LYS 22 2HZ LYS 22 15.398 2.722 2.891 163 3HZ LYS 22 3HZ LYS 22 13.801 2.412 2.907 164 H GLU 23 H GLU 23 8.761 2.916 5.915 165 HA GLU 23 HA GLU 23 9.714 0.254 5.561 166 1HB GLU 23 2HB GLU 23 7.614 1.409 7.438 167 2HB GLU 23 3HB GLU 23 8.026 -0.309 7.364 168 1HG GLU 23 2HG GLU 23 10.386 0.216 7.886 169 2HG GLU 23 3HG GLU 23 9.937 1.909 8.113 170 H ALA 24 H ALA 24 6.327 1.476 5.186 171 HA ALA 24 HA ALA 24 5.192 -1.034 4.517 172 1HB ALA 24 1HB ALA 24 4.414 1.801 3.732 173 2HB ALA 24 2HB ALA 24 3.364 0.380 3.533 174 3HB ALA 24 3HB ALA 24 3.852 0.910 5.154 175 H CYS 25 H CYS 25 6.504 1.458 2.317 176 HA CYS 25 HA CYS 25 6.108 0.067 -0.135 177 1HB CYS 25 2HB CYS 25 6.672 2.499 0.191 178 2HB CYS 25 3HB CYS 25 8.323 2.025 0.626 179 HG CYS 25 HG CYS 25 6.631 1.530 -2.198 180 H ASP 26 H ASP 26 9.053 0.173 1.934 181 HA ASP 26 HA ASP 26 10.622 -1.643 0.410 182 1HB ASP 26 2HB ASP 26 11.491 -0.050 2.085 183 2HB ASP 26 3HB ASP 26 10.725 -0.976 3.378 184 H TRP 27 H TRP 27 8.515 -2.300 3.253 185 HA TRP 27 HA TRP 27 9.164 -5.052 3.516 186 1HB TRP 27 2HB TRP 27 8.035 -3.729 5.267 187 2HB TRP 27 3HB TRP 27 6.577 -3.657 4.274 188 HD1 TRP 27 HD1 TRP 27 8.633 -5.979 6.461 189 HE1 TRP 27 1HE TRP 27 7.448 -8.241 6.798 190 HE3 TRP 27 3HE TRP 27 4.645 -5.313 3.301 191 HZ2 TRP 27 2HZ TRP 27 5.258 -9.677 5.622 192 HZ3 TRP 27 3HZ TRP 27 3.060 -7.184 2.884 193 HH2 TRP 27 HH2 TRP 27 3.364 -9.364 4.008 194 H LEU 28 H LEU 28 6.498 -3.524 1.642 195 HA LEU 28 HA LEU 28 5.253 -5.935 0.785 196 1HB LEU 28 2HB LEU 28 5.470 -3.171 -0.436 197 2HB LEU 28 3HB LEU 28 4.523 -4.441 -1.210 198 HG LEU 28 HG LEU 28 4.033 -3.561 1.668 199 1HD1 LEU 28 1HD1 LEU 28 2.667 -2.572 -0.869 200 2HD1 LEU 28 2HD1 LEU 28 3.726 -1.620 0.191 201 3HD1 LEU 28 3HD1 LEU 28 2.169 -2.205 0.798 202 1HD2 LEU 28 1HD2 LEU 28 1.832 -4.549 1.345 203 2HD2 LEU 28 2HD2 LEU 28 3.075 -5.763 1.012 204 3HD2 LEU 28 3HD2 LEU 28 2.228 -4.980 -0.332 205 H ARG 29 H ARG 29 7.971 -4.191 -0.698 206 HA ARG 29 HA ARG 29 8.452 -6.119 -2.823 207 1HB ARG 29 2HB ARG 29 9.327 -3.892 -3.017 208 2HB ARG 29 3HB ARG 29 10.243 -4.027 -1.515 209 1HG ARG 29 2HG ARG 29 11.810 -5.546 -2.448 210 2HG ARG 29 3HG ARG 29 10.771 -5.928 -3.825 211 1HD ARG 29 2HD ARG 29 11.089 -3.664 -4.747 212 2HD ARG 29 3HD ARG 29 12.007 -3.192 -3.317 213 HE ARG 29 HE ARG 29 13.886 -4.199 -4.173 214 1HH1 ARG 29 1HH1 ARG 29 11.237 -5.484 -6.066 215 2HH1 ARG 29 2HH1 ARG 29 12.308 -6.341 -7.141 216 1HH2 ARG 29 1HH2 ARG 29 15.185 -5.273 -5.586 217 2HH2 ARG 29 2HH2 ARG 29 14.484 -6.201 -6.879 218 H ALA 30 H ALA 30 10.023 -5.766 0.389 219 HA ALA 30 HA ALA 30 11.724 -8.008 0.166 220 1HB ALA 30 1HB ALA 30 10.464 -6.831 2.678 221 2HB ALA 30 2HB ALA 30 11.925 -7.835 2.607 222 3HB ALA 30 3HB ALA 30 11.926 -6.222 1.867 223 H ALA 31 H ALA 31 8.332 -7.947 1.204 224 HA ALA 31 HA ALA 31 8.105 -10.687 2.017 225 1HB ALA 31 1HB ALA 31 6.589 -8.848 2.688 226 2HB ALA 31 2HB ALA 31 6.008 -8.707 1.016 227 3HB ALA 31 3HB ALA 31 5.694 -10.187 1.947 228 H GLY 32 H GLY 32 8.640 -9.503 -1.112 229 1HA GLY 32 2HA GLY 32 8.902 -10.843 -3.017 230 2HA GLY 32 1HA GLY 32 7.798 -12.054 -2.367 231 H PHE 33 H PHE 33 6.502 -8.863 -2.130 232 HA PHE 33 HA PHE 33 4.991 -9.157 -4.693 233 1HB PHE 33 2HB PHE 33 3.799 -8.369 -2.024 234 2HB PHE 33 3HB PHE 33 2.959 -8.541 -3.564 235 HD1 PHE 33 1HD PHE 33 3.241 -10.954 -4.732 236 HD2 PHE 33 2HD PHE 33 3.633 -10.159 -0.507 237 HE1 PHE 33 1HE PHE 33 2.757 -13.339 -4.234 238 HE2 PHE 33 2HE PHE 33 3.132 -12.538 -0.019 239 HZ PHE 33 HZ PHE 33 2.706 -14.135 -1.877 240 HA PRO 34 HA PRO 34 6.802 -4.837 -4.227 241 1HB PRO 34 2HB PRO 34 8.205 -4.720 -6.590 242 2HB PRO 34 3HB PRO 34 8.872 -5.381 -5.074 243 1HG PRO 34 2HG PRO 34 7.610 -6.911 -7.367 244 2HG PRO 34 3HG PRO 34 9.167 -7.245 -6.539 245 1HD PRO 34 2HD PRO 34 6.898 -8.572 -5.878 246 2HD PRO 34 3HD PRO 34 8.074 -8.077 -4.622 247 H GLN 35 H GLN 35 4.898 -6.549 -6.572 248 HA GLN 35 HA GLN 35 4.038 -4.537 -8.314 249 1HB GLN 35 2HB GLN 35 1.972 -5.809 -8.562 250 2HB GLN 35 3HB GLN 35 3.394 -6.847 -8.597 251 1HG GLN 35 2HG GLN 35 2.937 -7.594 -6.274 252 2HG GLN 35 3HG GLN 35 1.545 -6.512 -6.182 253 1HE2 GLN 35 1HE2 GLN 35 -0.445 -7.141 -7.150 254 2HE2 GLN 35 2HE2 GLN 35 -0.616 -8.716 -7.915 255 H TYR 36 H TYR 36 2.918 -5.093 -4.960 256 HA TYR 36 HA TYR 36 0.929 -2.989 -5.011 257 1HB TYR 36 2HB TYR 36 2.365 -4.270 -2.663 258 2HB TYR 36 3HB TYR 36 0.930 -3.253 -2.566 259 HD1 TYR 36 1HD TYR 36 -1.077 -4.084 -4.237 260 HD2 TYR 36 2HD TYR 36 1.990 -6.571 -2.497 261 HE1 TYR 36 1HE TYR 36 -2.521 -6.084 -4.554 262 HE2 TYR 36 2HE TYR 36 0.531 -8.577 -2.812 263 HH TYR 36 HH TYR 36 -2.709 -8.351 -4.316 264 H ALA 37 H ALA 37 4.274 -3.112 -3.703 265 HA ALA 37 HA ALA 37 4.499 -0.485 -2.757 266 1HB ALA 37 1HB ALA 37 6.654 -2.203 -4.073 267 2HB ALA 37 2HB ALA 37 6.920 -0.836 -2.980 268 3HB ALA 37 3HB ALA 37 6.141 -2.307 -2.380 269 H GLN 38 H GLN 38 5.283 -1.637 -6.061 270 HA GLN 38 HA GLN 38 6.091 0.903 -7.106 271 1HB GLN 38 2HB GLN 38 5.091 -1.651 -8.429 272 2HB GLN 38 3HB GLN 38 5.686 -0.270 -9.345 273 1HG GLN 38 2HG GLN 38 7.332 -1.795 -7.273 274 2HG GLN 38 3HG GLN 38 7.409 -2.035 -9.015 275 1HE2 GLN 38 1HE2 GLN 38 8.075 -0.048 -10.370 276 2HE2 GLN 38 2HE2 GLN 38 9.201 1.059 -9.594 277 H LEU 39 H LEU 39 2.867 -0.291 -6.561 278 HA LEU 39 HA LEU 39 1.599 1.598 -8.434 279 1HB LEU 39 2HB LEU 39 0.597 -0.503 -6.486 280 2HB LEU 39 3HB LEU 39 -0.498 0.606 -7.269 281 HG LEU 39 HG LEU 39 1.372 -1.240 -8.806 282 1HD1 LEU 39 1HD1 LEU 39 -1.604 -1.532 -8.193 283 2HD1 LEU 39 2HD1 LEU 39 -0.299 -2.509 -7.485 284 3HD1 LEU 39 3HD1 LEU 39 -0.629 -2.610 -9.219 285 1HD2 LEU 39 1HD2 LEU 39 0.676 0.689 -10.158 286 2HD2 LEU 39 2HD2 LEU 39 -1.021 0.409 -9.713 287 3HD2 LEU 39 3HD2 LEU 39 -0.142 -0.773 -10.705 288 H TYR 40 H TYR 40 2.990 2.108 -5.454 289 HA TYR 40 HA TYR 40 1.098 3.764 -4.120 290 1HB TYR 40 2HB TYR 40 3.131 3.014 -3.008 291 2HB TYR 40 3HB TYR 40 4.129 3.847 -4.188 292 HD1 TYR 40 1HD TYR 40 1.094 5.019 -2.227 293 HD2 TYR 40 2HD TYR 40 5.313 5.502 -3.039 294 HE1 TYR 40 1HE TYR 40 1.125 7.072 -0.843 295 HE2 TYR 40 2HE TYR 40 5.339 7.546 -1.613 296 HH TYR 40 HH TYR 40 2.381 8.817 -0.059 297 H GLU 41 H GLU 41 3.662 4.748 -6.430 298 HA GLU 41 HA GLU 41 2.846 7.514 -6.522 299 1HB GLU 41 2HB GLU 41 4.522 5.872 -8.466 300 2HB GLU 41 3HB GLU 41 4.335 7.631 -8.512 301 1HG GLU 41 2HG GLU 41 5.260 7.769 -6.187 302 2HG GLU 41 3HG GLU 41 5.566 6.032 -6.225 303 H ASP 42 H ASP 42 1.534 4.735 -8.099 304 HA ASP 42 HA ASP 42 0.039 6.321 -10.104 305 1HB ASP 42 2HB ASP 42 1.066 3.976 -10.497 306 2HB ASP 42 3HB ASP 42 -0.272 3.358 -9.531 307 H SER 43 H SER 43 -0.280 5.782 -6.871 308 HA SER 43 HA SER 43 -1.852 5.981 -5.302 309 1HB SER 43 2HB SER 43 -3.564 7.298 -7.432 310 2HB SER 43 3HB SER 43 -3.745 7.460 -5.681 311 HG SER 43 HG SER 43 -1.702 8.463 -5.599 312 H GLN 44 H GLN 44 -1.988 3.483 -6.970 313 HA GLN 44 HA GLN 44 -4.854 2.739 -6.828 314 1HB GLN 44 2HB GLN 44 -2.470 1.168 -7.834 315 2HB GLN 44 3HB GLN 44 -4.140 0.652 -7.972 316 1HG GLN 44 2HG GLN 44 -3.045 3.165 -9.285 317 2HG GLN 44 3HG GLN 44 -3.117 1.583 -10.037 318 1HE2 GLN 44 1HE2 GLN 44 -4.398 2.702 -11.702 319 2HE2 GLN 44 2HE2 GLN 44 -6.135 2.857 -11.420 320 H PHE 45 H PHE 45 -2.896 2.940 -4.351 321 HA PHE 45 HA PHE 45 -2.949 0.361 -3.093 322 1HB PHE 45 2HB PHE 45 -2.511 3.174 -2.204 323 2HB PHE 45 3HB PHE 45 -3.084 2.051 -0.987 324 HD1 PHE 45 1HD PHE 45 -0.493 2.114 -3.732 325 HD2 PHE 45 2HD PHE 45 -1.526 0.895 0.274 326 HE1 PHE 45 1HE PHE 45 1.792 1.205 -3.397 327 HE2 PHE 45 2HE PHE 45 0.769 -0.022 0.578 328 HZ PHE 45 HZ PHE 45 2.424 0.138 -1.262 329 HA PRO 46 HA PRO 46 -7.136 1.305 -1.062 330 1HB PRO 46 2HB PRO 46 -8.678 3.473 -1.664 331 2HB PRO 46 3HB PRO 46 -7.296 3.556 -0.544 332 1HG PRO 46 2HG PRO 46 -7.324 4.283 -3.490 333 2HG PRO 46 3HG PRO 46 -6.688 5.247 -2.119 334 1HD PRO 46 2HD PRO 46 -5.091 3.695 -3.662 335 2HD PRO 46 3HD PRO 46 -4.794 3.890 -1.913 336 H ILE 47 H ILE 47 -7.222 -0.522 -2.569 337 HA ILE 47 HA ILE 47 -9.544 -0.331 -4.461 338 HB ILE 47 HB ILE 47 -8.463 -2.025 -5.895 339 1HG1 ILE 47 2HG1 ILE 47 -5.839 -1.378 -4.488 340 2HG1 ILE 47 3HG1 ILE 47 -6.769 -2.804 -4.096 341 1HG2 ILE 47 1HG2 ILE 47 -8.500 0.376 -6.441 342 2HG2 ILE 47 2HG2 ILE 47 -6.937 0.593 -5.635 343 3HG2 ILE 47 3HG2 ILE 47 -7.058 -0.416 -7.087 344 1HD1 ILE 47 1HD1 ILE 47 -5.039 -3.390 -5.690 345 2HD1 ILE 47 2HD1 ILE 47 -6.633 -3.597 -6.437 346 3HD1 ILE 47 3HD1 ILE 47 -5.630 -2.189 -6.853 347 H ASN 48 H ASN 48 -10.318 -0.840 -2.143 348 HA ASN 48 HA ASN 48 -11.292 -2.224 -0.621 349 1HB ASN 48 2HB ASN 48 -11.553 -4.173 -2.935 350 2HB ASN 48 3HB ASN 48 -12.482 -4.198 -1.445 351 1HD2 ASN 48 1HD2 ASN 48 -13.090 -3.713 -4.487 352 2HD2 ASN 48 2HD2 ASN 48 -14.154 -2.315 -4.392 353 H ILE 49 H ILE 49 -9.224 -2.270 0.477 354 HA ILE 49 HA ILE 49 -7.274 -4.290 0.261 355 HB ILE 49 HB ILE 49 -8.133 -2.764 2.734 356 1HG1 ILE 49 2HG1 ILE 49 -5.849 -2.325 0.742 357 2HG1 ILE 49 3HG1 ILE 49 -7.340 -1.394 0.773 358 1HG2 ILE 49 1HG2 ILE 49 -6.866 -4.807 3.382 359 2HG2 ILE 49 2HG2 ILE 49 -5.583 -4.382 2.230 360 3HG2 ILE 49 3HG2 ILE 49 -5.902 -3.377 3.661 361 1HD1 ILE 49 1HD1 ILE 49 -6.794 -0.571 3.057 362 2HD1 ILE 49 2HD1 ILE 49 -5.224 -1.403 2.950 363 3HD1 ILE 49 3HD1 ILE 49 -5.609 -0.108 1.817 364 H VAL 50 H VAL 50 -10.334 -4.386 2.051 365 HA VAL 50 HA VAL 50 -10.057 -6.931 3.292 366 HB VAL 50 HB VAL 50 -12.624 -5.672 2.265 367 1HG1 VAL 50 1HG1 VAL 50 -13.681 -6.976 4.104 368 2HG1 VAL 50 2HG1 VAL 50 -12.951 -8.032 2.897 369 3HG1 VAL 50 3HG1 VAL 50 -12.121 -7.755 4.444 370 1HG2 VAL 50 1HG2 VAL 50 -11.213 -5.398 4.960 371 2HG2 VAL 50 2HG2 VAL 50 -11.472 -4.102 3.772 372 3HG2 VAL 50 3HG2 VAL 50 -12.853 -4.818 4.599 373 H ALA 51 H ALA 51 -11.193 -6.157 -0.029 374 HA ALA 51 HA ALA 51 -11.978 -8.845 -0.687 375 1HB ALA 51 1HB ALA 51 -11.134 -6.579 -2.544 376 2HB ALA 51 2HB ALA 51 -12.043 -8.035 -2.985 377 3HB ALA 51 3HB ALA 51 -12.776 -6.836 -1.903 378 H VAL 52 H VAL 52 -8.926 -7.036 -1.353 379 HA VAL 52 HA VAL 52 -7.666 -9.340 -2.596 380 HB VAL 52 HB VAL 52 -5.563 -8.138 -2.519 381 1HG1 VAL 52 1HG1 VAL 52 -7.860 -6.332 -3.387 382 2HG1 VAL 52 2HG1 VAL 52 -6.188 -6.292 -3.979 383 3HG1 VAL 52 3HG1 VAL 52 -7.210 -7.697 -4.323 384 1HG2 VAL 52 1HG2 VAL 52 -7.045 -5.924 -1.071 385 2HG2 VAL 52 2HG2 VAL 52 -5.759 -6.928 -0.359 386 3HG2 VAL 52 3HG2 VAL 52 -5.390 -5.839 -1.700 387 H LYS 53 H LYS 53 -7.686 -8.213 0.783 388 HA LYS 53 HA LYS 53 -5.713 -10.186 1.616 389 1HB LYS 53 2HB LYS 53 -5.766 -9.204 3.648 390 2HB LYS 53 3HB LYS 53 -6.428 -7.896 2.721 391 1HG LYS 53 2HG LYS 53 -8.754 -8.764 3.405 392 2HG LYS 53 3HG LYS 53 -7.918 -9.895 4.476 393 1HD LYS 53 2HD LYS 53 -6.797 -7.927 5.585 394 2HD LYS 53 3HD LYS 53 -7.753 -6.857 4.549 395 1HE LYS 53 2HE LYS 53 -8.911 -6.912 6.599 396 2HE LYS 53 3HE LYS 53 -9.848 -7.944 5.511 397 1HZ LYS 53 1HZ LYS 53 -8.782 -9.882 6.570 398 2HZ LYS 53 2HZ LYS 53 -9.528 -8.973 7.698 399 3HZ LYS 53 3HZ LYS 53 -7.906 -8.911 7.554 400 H ASN 54 H ASN 54 -9.212 -10.311 1.341 401 HA ASN 54 HA ASN 54 -9.657 -12.709 2.853 402 1HB ASN 54 2HB ASN 54 -11.158 -11.311 0.604 403 2HB ASN 54 3HB ASN 54 -11.704 -12.856 1.228 404 1HD2 ASN 54 1HD2 ASN 54 -13.556 -11.066 1.458 405 2HD2 ASN 54 2HD2 ASN 54 -13.666 -10.489 3.118 406 H ASP 55 H ASP 55 -8.117 -12.361 -0.203 407 HA ASP 55 HA ASP 55 -8.724 -14.937 -1.326 408 1HB ASP 55 2HB ASP 55 -8.102 -12.724 -2.470 409 2HB ASP 55 3HB ASP 55 -6.432 -13.061 -2.023 410 H HIS 56 H HIS 56 -7.967 -15.482 1.173 411 HA HIS 56 HA HIS 56 -5.256 -15.864 1.825 412 1HB HIS 56 2HB HIS 56 -6.119 -16.974 3.790 413 2HB HIS 56 3HB HIS 56 -7.136 -15.592 3.412 414 HD1 HIS 56 1HD HIS 56 -9.640 -16.251 2.288 415 HD2 HIS 56 2HD HIS 56 -7.241 -19.370 3.831 416 HE1 HIS 56 1HE HIS 56 -11.169 -18.266 2.553 417 H ASP 57 H ASP 57 -6.987 -17.822 -0.334 418 HA ASP 57 HA ASP 57 -5.280 -20.216 0.117 419 1HB ASP 57 2HB ASP 57 -6.590 -21.286 -1.590 420 2HB ASP 57 3HB ASP 57 -7.637 -20.582 -0.372 421 H PHE 58 H PHE 58 -5.057 -17.269 -1.598 422 HA PHE 58 HA PHE 58 -3.432 -18.278 -3.829 423 1HB PHE 58 2HB PHE 58 -5.110 -16.346 -3.838 424 2HB PHE 58 3HB PHE 58 -3.909 -15.408 -2.964 425 HD1 PHE 58 1HD PHE 58 -4.778 -17.051 -6.163 426 HD2 PHE 58 2HD PHE 58 -1.917 -14.541 -4.133 427 HE1 PHE 58 1HE PHE 58 -3.808 -16.389 -8.351 428 HE2 PHE 58 2HE PHE 58 -0.947 -13.882 -6.324 429 HZ PHE 58 HZ PHE 58 -1.893 -14.802 -8.436 430 H LEU 59 H LEU 59 -2.864 -16.820 -0.682 431 HA LEU 59 HA LEU 59 0.013 -17.347 -0.814 432 1HB LEU 59 2HB LEU 59 0.552 -15.005 0.018 433 2HB LEU 59 3HB LEU 59 0.193 -15.216 -1.682 434 HG LEU 59 HG LEU 59 -2.032 -14.231 -1.416 435 1HD1 LEU 59 1HD1 LEU 59 -2.642 -14.796 0.874 436 2HD1 LEU 59 2HD1 LEU 59 -2.625 -13.046 0.693 437 3HD1 LEU 59 3HD1 LEU 59 -1.270 -13.858 1.513 438 1HD2 LEU 59 1HD2 LEU 59 -1.306 -11.942 -0.964 439 2HD2 LEU 59 2HD2 LEU 59 -0.075 -12.803 -1.896 440 3HD2 LEU 59 3HD2 LEU 59 0.159 -12.538 -0.154 441 H GLU 60 H GLU 60 1.078 -16.843 1.348 442 HA GLU 60 HA GLU 60 -0.180 -18.504 3.262 443 1HB GLU 60 2HB GLU 60 2.271 -16.750 3.241 444 2HB GLU 60 3HB GLU 60 1.736 -17.380 4.790 445 1HG GLU 60 2HG GLU 60 2.133 -19.234 2.420 446 2HG GLU 60 3HG GLU 60 3.474 -18.721 3.442 447 H LYS 61 H LYS 61 -1.472 -18.247 4.907 448 HA LYS 61 HA LYS 61 -2.949 -15.928 5.506 449 1HB LYS 61 2HB LYS 61 -3.716 -17.088 7.509 450 2HB LYS 61 3HB LYS 61 -3.765 -18.124 6.097 451 1HG LYS 61 2HG LYS 61 -1.265 -18.328 7.751 452 2HG LYS 61 3HG LYS 61 -2.736 -18.814 8.565 453 1HD LYS 61 2HD LYS 61 -1.984 -19.941 5.841 454 2HD LYS 61 3HD LYS 61 -1.375 -20.617 7.356 455 1HE LYS 61 2HE LYS 61 -3.691 -20.954 8.167 456 2HE LYS 61 3HE LYS 61 -4.329 -20.302 6.653 457 1HZ LYS 61 1HZ LYS 61 -2.640 -22.740 6.878 458 2HZ LYS 61 2HZ LYS 61 -3.257 -22.150 5.482 459 3HZ LYS 61 3HZ LYS 61 -4.253 -22.736 6.637 460 H ASP 62 H ASP 62 0.146 -16.825 6.836 461 HA ASP 62 HA ASP 62 0.127 -14.876 9.000 462 1HB ASP 62 2HB ASP 62 1.419 -17.013 8.993 463 2HB ASP 62 3HB ASP 62 2.451 -16.361 7.719 464 H LEU 63 H LEU 63 0.938 -14.678 5.592 465 HA LEU 63 HA LEU 63 2.341 -12.080 5.875 466 1HB LEU 63 2HB LEU 63 1.600 -13.827 3.498 467 2HB LEU 63 3HB LEU 63 2.233 -12.200 3.304 468 HG LEU 63 HG LEU 63 3.720 -14.417 4.778 469 1HD1 LEU 63 1HD1 LEU 63 4.162 -13.313 1.971 470 2HD1 LEU 63 2HD1 LEU 63 3.449 -14.895 2.344 471 3HD1 LEU 63 3HD1 LEU 63 5.127 -14.558 2.786 472 1HD2 LEU 63 1HD2 LEU 63 4.470 -12.179 5.500 473 2HD2 LEU 63 2HD2 LEU 63 4.579 -11.648 3.808 474 3HD2 LEU 63 3HD2 LEU 63 5.683 -12.891 4.433 475 H VAL 64 H VAL 64 -0.901 -13.240 5.313 476 HA VAL 64 HA VAL 64 -2.067 -10.960 4.093 477 HB VAL 64 HB VAL 64 -3.333 -12.875 6.093 478 1HG1 VAL 64 1HG1 VAL 64 -4.718 -10.829 5.874 479 2HG1 VAL 64 2HG1 VAL 64 -4.640 -10.994 4.103 480 3HG1 VAL 64 3HG1 VAL 64 -5.486 -12.205 5.083 481 1HG2 VAL 64 1HG2 VAL 64 -4.272 -13.940 4.042 482 2HG2 VAL 64 2HG2 VAL 64 -3.339 -12.810 3.040 483 3HG2 VAL 64 3HG2 VAL 64 -2.510 -14.009 4.046 484 H GLU 65 H GLU 65 -1.412 -11.519 7.544 485 HA GLU 65 HA GLU 65 -2.650 -9.182 8.601 486 1HB GLU 65 2HB GLU 65 -0.461 -11.027 9.543 487 2HB GLU 65 3HB GLU 65 -0.734 -9.518 10.409 488 1HG GLU 65 2HG GLU 65 -2.875 -11.618 9.866 489 2HG GLU 65 3HG GLU 65 -1.931 -11.502 11.350 490 HA PRO 66 HA PRO 66 1.273 -6.563 8.249 491 1HB PRO 66 2HB PRO 66 3.496 -7.386 6.880 492 2HB PRO 66 3HB PRO 66 3.224 -7.670 8.621 493 1HG PRO 66 2HG PRO 66 2.677 -9.588 6.338 494 2HG PRO 66 3HG PRO 66 3.533 -9.915 7.877 495 1HD PRO 66 2HD PRO 66 0.921 -10.544 7.540 496 2HD PRO 66 3HD PRO 66 1.514 -9.891 9.095 497 H LEU 67 H LEU 67 0.618 -8.574 5.320 498 HA LEU 67 HA LEU 67 0.903 -6.561 3.344 499 1HB LEU 67 2HB LEU 67 0.516 -8.903 2.796 500 2HB LEU 67 3HB LEU 67 -1.057 -8.871 3.589 501 HG LEU 67 HG LEU 67 -1.915 -7.310 1.865 502 1HD1 LEU 67 1HD1 LEU 67 0.140 -6.198 1.151 503 2HD1 LEU 67 2HD1 LEU 67 -0.601 -7.006 -0.231 504 3HD1 LEU 67 3HD1 LEU 67 0.811 -7.738 0.561 505 1HD2 LEU 67 1HD2 LEU 67 -2.005 -8.955 0.043 506 2HD2 LEU 67 2HD2 LEU 67 -2.198 -9.741 1.618 507 3HD2 LEU 67 3HD2 LEU 67 -0.643 -9.846 0.761 508 H CYS 68 H CYS 68 -2.076 -7.407 5.180 509 HA CYS 68 HA CYS 68 -3.673 -5.232 4.316 510 1HB CYS 68 2HB CYS 68 -4.473 -7.248 5.529 511 2HB CYS 68 3HB CYS 68 -3.702 -6.664 7.012 512 HG CYS 68 HG CYS 68 -5.004 -4.352 7.097 513 H ARG 69 H ARG 69 -1.581 -5.407 7.245 514 HA ARG 69 HA ARG 69 -2.116 -2.780 8.189 515 1HB ARG 69 2HB ARG 69 -1.109 -4.569 9.521 516 2HB ARG 69 3HB ARG 69 0.388 -4.472 8.579 517 1HG ARG 69 2HG ARG 69 0.879 -2.270 9.418 518 2HG ARG 69 3HG ARG 69 -0.739 -2.096 10.119 519 1HD ARG 69 2HD ARG 69 -0.296 -3.889 11.724 520 2HD ARG 69 3HD ARG 69 1.278 -4.209 11.004 521 HE ARG 69 HE ARG 69 1.918 -1.853 11.668 522 1HH1 ARG 69 1HH1 ARG 69 -0.499 -3.493 13.601 523 2HH1 ARG 69 2HH1 ARG 69 -0.101 -2.577 15.029 524 1HH2 ARG 69 1HH2 ARG 69 2.378 -0.737 13.509 525 2HH2 ARG 69 2HH2 ARG 69 1.488 -1.063 14.965 526 H ARG 70 H ARG 70 0.609 -3.767 6.076 527 HA ARG 70 HA ARG 70 1.655 -1.058 5.820 528 1HB ARG 70 2HB ARG 70 2.077 -3.488 4.022 529 2HB ARG 70 3HB ARG 70 2.963 -1.977 3.920 530 1HG ARG 70 2HG ARG 70 3.140 -4.096 6.067 531 2HG ARG 70 3HG ARG 70 4.393 -3.429 5.043 532 1HD ARG 70 2HD ARG 70 4.063 -1.223 6.328 533 2HD ARG 70 3HD ARG 70 3.059 -2.148 7.454 534 HE ARG 70 HE ARG 70 5.395 -3.626 7.288 535 1HH1 ARG 70 1HH1 ARG 70 4.808 -0.266 8.269 536 2HH1 ARG 70 2HH1 ARG 70 6.332 -0.275 9.166 537 1HH2 ARG 70 1HH2 ARG 70 7.264 -3.412 8.567 538 2HH2 ARG 70 2HH2 ARG 70 7.539 -1.835 9.310 539 H LEU 71 H LEU 71 -0.558 -2.920 3.708 540 HA LEU 71 HA LEU 71 -0.988 -0.857 1.767 541 1HB LEU 71 2HB LEU 71 -2.828 -3.037 2.812 542 2HB LEU 71 3HB LEU 71 -3.263 -1.955 1.498 543 HG LEU 71 HG LEU 71 -0.888 -3.861 1.394 544 1HD1 LEU 71 1HD1 LEU 71 -3.063 -5.038 1.483 545 2HD1 LEU 71 2HD1 LEU 71 -2.323 -5.175 -0.119 546 3HD1 LEU 71 3HD1 LEU 71 -3.663 -4.037 0.141 547 1HD2 LEU 71 1HD2 LEU 71 -1.033 -3.418 -1.059 548 2HD2 LEU 71 2HD2 LEU 71 -0.498 -2.036 -0.113 549 3HD2 LEU 71 3HD2 LEU 71 -2.171 -2.097 -0.722 550 H ASN 72 H ASN 72 -2.823 -1.531 4.767 551 HA ASN 72 HA ASN 72 -4.537 0.725 4.632 552 1HB ASN 72 2HB ASN 72 -4.915 -1.401 5.882 553 2HB ASN 72 3HB ASN 72 -3.681 -0.910 7.050 554 1HD2 ASN 72 1HD2 ASN 72 -6.790 0.231 5.569 555 2HD2 ASN 72 2HD2 ASN 72 -7.336 0.979 7.064 556 H THR 73 H THR 73 -1.222 0.748 5.322 557 HA THR 73 HA THR 73 -1.285 3.282 6.884 558 HB THR 73 HB THR 73 1.105 1.733 5.813 559 HG1 THR 73 1HG THR 73 -0.111 0.653 7.446 560 1HG2 THR 73 1HG2 THR 73 1.692 4.082 6.220 561 2HG2 THR 73 2HG2 THR 73 2.354 3.064 7.504 562 3HG2 THR 73 3HG2 THR 73 0.894 4.032 7.809 563 H LEU 74 H LEU 74 0.102 2.180 3.732 564 HA LEU 74 HA LEU 74 0.599 4.888 2.843 565 1HB LEU 74 2HB LEU 74 0.710 2.140 1.628 566 2HB LEU 74 3HB LEU 74 0.843 3.535 0.559 567 HG LEU 74 HG LEU 74 2.672 3.059 2.944 568 1HD1 LEU 74 1HD1 LEU 74 3.128 2.523 -0.029 569 2HD1 LEU 74 2HD1 LEU 74 2.958 1.288 1.238 570 3HD1 LEU 74 3HD1 LEU 74 4.351 2.381 1.248 571 1HD2 LEU 74 1HD2 LEU 74 4.148 4.682 1.741 572 2HD2 LEU 74 2HD2 LEU 74 2.634 5.430 2.265 573 3HD2 LEU 74 3HD2 LEU 74 2.856 4.954 0.568 574 H ASN 75 H ASN 75 -2.210 2.741 2.316 575 HA ASN 75 HA ASN 75 -3.317 4.207 0.155 576 1HB ASN 75 2HB ASN 75 -5.267 3.012 0.441 577 2HB ASN 75 3HB ASN 75 -4.071 1.908 1.087 578 1HD2 ASN 75 1HD2 ASN 75 -7.134 2.502 1.617 579 2HD2 ASN 75 2HD2 ASN 75 -7.145 2.589 3.371 580 H LYS 76 H LYS 76 -3.389 4.888 3.569 581 HA LYS 76 HA LYS 76 -5.419 6.808 3.801 582 1HB LYS 76 2HB LYS 76 -3.838 5.646 5.554 583 2HB LYS 76 3HB LYS 76 -2.779 7.035 5.294 584 1HG LYS 76 2HG LYS 76 -4.773 8.517 5.890 585 2HG LYS 76 3HG LYS 76 -5.660 7.030 6.285 586 1HD LYS 76 2HD LYS 76 -3.680 6.468 7.858 587 2HD LYS 76 3HD LYS 76 -3.159 8.138 7.635 588 1HE LYS 76 2HE LYS 76 -5.825 7.173 8.778 589 2HE LYS 76 3HE LYS 76 -4.471 7.827 9.701 590 1HZ LYS 76 1HZ LYS 76 -4.789 9.953 8.526 591 2HZ LYS 76 2HZ LYS 76 -6.141 9.522 9.331 592 3HZ LYS 76 3HZ LYS 76 -6.074 9.349 7.713 593 H CYS 77 H CYS 77 -2.049 7.298 2.879 594 HA CYS 77 HA CYS 77 -2.318 10.159 2.310 595 1HB CYS 77 2HB CYS 77 -0.193 9.058 3.035 596 2HB CYS 77 3HB CYS 77 -0.137 8.185 1.490 597 HG CYS 77 HG CYS 77 1.540 10.299 1.587 598 H ALA 78 H ALA 78 -2.163 7.169 0.292 599 HA ALA 78 HA ALA 78 -2.242 8.403 -2.223 600 1HB ALA 78 1HB ALA 78 -2.909 6.211 -3.066 601 2HB ALA 78 2HB ALA 78 -1.697 6.022 -1.781 602 3HB ALA 78 3HB ALA 78 -3.420 5.714 -1.446 603 H SER 79 H SER 79 -5.063 7.623 -0.155 604 HA SER 79 HA SER 79 -7.107 8.313 -2.041 605 1HB SER 79 2HB SER 79 -7.052 8.401 0.998 606 2HB SER 79 3HB SER 79 -8.511 8.669 0.031 607 HG SER 79 HG SER 79 -8.407 6.598 -0.742 608 H MET 80 H MET 80 -4.950 10.446 -0.283 609 HA MET 80 HA MET 80 -6.722 12.793 -0.555 610 1HB MET 80 2HB MET 80 -5.257 12.420 1.453 611 2HB MET 80 3HB MET 80 -3.844 12.730 0.434 612 1HG MET 80 2HG MET 80 -4.753 14.979 -0.123 613 2HG MET 80 3HG MET 80 -6.210 14.615 0.795 614 1HE MET 80 1HE MET 80 -2.143 15.993 2.433 615 2HE MET 80 2HE MET 80 -2.248 14.706 1.212 616 3HE MET 80 3HE MET 80 -2.841 16.340 0.838 617 H LYS 81 H LYS 81 -7.009 13.196 -2.646 618 HA LYS 81 HA LYS 81 -5.307 12.849 -4.830 619 1HB LYS 81 2HB LYS 81 -7.855 13.390 -4.728 620 2HB LYS 81 3HB LYS 81 -7.364 15.077 -4.675 621 1HG LYS 81 2HG LYS 81 -7.719 14.752 -6.954 622 2HG LYS 81 3HG LYS 81 -5.985 14.542 -6.830 623 1HD LYS 81 2HD LYS 81 -6.696 12.758 -8.218 624 2HD LYS 81 3HD LYS 81 -6.425 12.009 -6.651 625 1HE LYS 81 2HE LYS 81 -8.465 11.100 -7.452 626 2HE LYS 81 3HE LYS 81 -8.923 12.243 -6.192 627 1HZ LYS 81 1HZ LYS 81 -9.439 13.859 -7.970 628 2HZ LYS 81 2HZ LYS 81 -10.309 12.496 -8.172 629 3HZ LYS 81 3HZ LYS 81 -9.013 12.777 -9.120 Start of MODEL 4 1 1H MET 1 1H MET 1 8.600 18.403 -12.102 2 2H MET 1 2H MET 1 8.231 17.421 -10.835 3 3H MET 1 3H MET 1 9.303 16.938 -11.955 4 HA MET 1 HA MET 1 10.371 17.653 -9.857 5 1HB MET 1 2HB MET 1 11.075 19.157 -12.412 6 2HB MET 1 3HB MET 1 12.128 19.053 -10.997 7 1HG MET 1 2HG MET 1 12.399 16.691 -11.216 8 2HG MET 1 3HG MET 1 11.100 16.567 -12.387 9 1HE MET 1 1HE MET 1 14.920 18.651 -12.672 10 2HE MET 1 2HE MET 1 14.608 17.291 -11.562 11 3HE MET 1 3HE MET 1 15.448 17.012 -13.099 12 H HIS 2 H HIS 2 7.738 19.019 -9.602 13 HA HIS 2 HA HIS 2 8.374 21.869 -9.196 14 1HB HIS 2 2HB HIS 2 5.837 20.208 -8.938 15 2HB HIS 2 3HB HIS 2 5.932 21.917 -8.536 16 HD1 HIS 2 1HD HIS 2 6.761 23.568 -10.690 17 HD2 HIS 2 2HD HIS 2 5.233 19.708 -11.454 18 HE1 HIS 2 1HE HIS 2 6.071 23.547 -13.141 19 H HIS 3 H HIS 3 8.223 18.990 -7.254 20 HA HIS 3 HA HIS 3 8.576 20.581 -4.749 21 1HB HIS 3 2HB HIS 3 7.028 17.981 -5.105 22 2HB HIS 3 3HB HIS 3 7.411 18.723 -3.559 23 HD1 HIS 3 1HD HIS 3 4.805 18.857 -6.253 24 HD2 HIS 3 2HD HIS 3 6.217 21.180 -3.028 25 HE1 HIS 3 1HE HIS 3 2.979 20.563 -5.748 26 H HIS 4 H HIS 4 9.696 19.316 -3.058 27 HA HIS 4 HA HIS 4 11.607 17.262 -4.071 28 1HB HIS 4 2HB HIS 4 12.280 19.693 -2.364 29 2HB HIS 4 3HB HIS 4 13.376 18.350 -2.683 30 HD1 HIS 4 1HD HIS 4 13.743 17.963 -5.563 31 HD2 HIS 4 2HD HIS 4 12.607 21.708 -3.984 32 HE1 HIS 4 1HE HIS 4 14.311 19.690 -7.345 33 H HIS 5 H HIS 5 12.557 15.970 -2.391 34 HA HIS 5 HA HIS 5 10.819 15.577 0.016 35 1HB HIS 5 2HB HIS 5 12.030 13.438 -1.778 36 2HB HIS 5 3HB HIS 5 11.058 13.169 -0.334 37 HD1 HIS 5 1HD HIS 5 8.370 14.097 -0.597 38 HD2 HIS 5 2HD HIS 5 10.747 13.581 -4.044 39 HE1 HIS 5 1HE HIS 5 6.760 14.008 -2.569 40 H HIS 6 H HIS 6 11.945 15.734 1.859 41 HA HIS 6 HA HIS 6 14.799 15.973 1.986 42 1HB HIS 6 2HB HIS 6 12.710 15.430 4.135 43 2HB HIS 6 3HB HIS 6 14.414 15.718 4.473 44 HD1 HIS 6 1HD HIS 6 15.238 18.233 3.042 45 HD2 HIS 6 2HD HIS 6 11.356 17.608 4.581 46 HE1 HIS 6 1HE HIS 6 14.217 20.539 3.352 47 H HIS 7 H HIS 7 16.397 14.602 2.597 48 HA HIS 7 HA HIS 7 15.856 11.786 3.272 49 1HB HIS 7 2HB HIS 7 17.277 10.913 1.523 50 2HB HIS 7 3HB HIS 7 15.952 11.817 0.805 51 HD1 HIS 7 1HD HIS 7 19.695 11.628 0.759 52 HD2 HIS 7 2HD HIS 7 16.643 14.399 -0.148 53 HE1 HIS 7 1HE HIS 7 20.773 13.434 -0.675 54 H SER 8 H SER 8 17.342 10.950 4.634 55 HA SER 8 HA SER 8 20.096 11.822 4.744 56 1HB SER 8 2HB SER 8 18.990 13.604 6.129 57 2HB SER 8 3HB SER 8 18.404 12.342 7.227 58 HG SER 8 HG SER 8 20.470 13.387 7.791 59 H SER 9 H SER 9 21.365 10.246 5.611 60 HA SER 9 HA SER 9 20.098 7.681 6.415 61 1HB SER 9 2HB SER 9 21.880 7.756 4.650 62 2HB SER 9 3HB SER 9 23.029 8.290 5.888 63 HG SER 9 HG SER 9 21.620 5.819 5.683 64 H GLY 10 H GLY 10 19.791 7.271 8.503 65 1HA GLY 10 2HA GLY 10 20.254 6.913 10.737 66 2HA GLY 10 1HA GLY 10 21.893 7.498 10.464 67 H LEU 11 H LEU 11 18.839 9.289 10.046 68 HA LEU 11 HA LEU 11 19.422 10.996 12.423 69 1HB LEU 11 2HB LEU 11 20.358 11.948 10.304 70 2HB LEU 11 3HB LEU 11 18.729 12.128 9.683 71 HG LEU 11 HG LEU 11 19.645 13.391 12.312 72 1HD1 LEU 11 1HD1 LEU 11 19.729 14.634 9.531 73 2HD1 LEU 11 2HD1 LEU 11 21.142 14.137 10.496 74 3HD1 LEU 11 3HD1 LEU 11 20.106 15.452 11.063 75 1HD2 LEU 11 1HD2 LEU 11 17.880 15.101 11.741 76 2HD2 LEU 11 2HD2 LEU 11 17.222 13.501 12.062 77 3HD2 LEU 11 3HD2 LEU 11 17.378 14.070 10.383 78 H VAL 12 H VAL 12 17.843 9.758 13.430 79 HA VAL 12 HA VAL 12 15.250 10.969 13.505 80 HB VAL 12 HB VAL 12 14.678 9.698 11.596 81 1HG1 VAL 12 1HG1 VAL 12 15.778 7.839 11.099 82 2HG1 VAL 12 2HG1 VAL 12 16.240 7.509 12.768 83 3HG1 VAL 12 3HG1 VAL 12 14.660 6.990 12.190 84 1HG2 VAL 12 1HG2 VAL 12 12.981 9.971 13.352 85 2HG2 VAL 12 2HG2 VAL 12 12.731 8.586 12.285 86 3HG2 VAL 12 3HG2 VAL 12 13.342 8.326 13.930 87 HA PRO 13 HA PRO 13 16.535 8.920 17.444 88 1HB PRO 13 2HB PRO 13 16.148 11.022 19.149 89 2HB PRO 13 3HB PRO 13 17.631 10.804 18.173 90 1HG PRO 13 2HG PRO 13 15.242 12.566 17.563 91 2HG PRO 13 3HG PRO 13 16.981 12.981 17.466 92 1HD PRO 13 2HD PRO 13 15.516 12.238 15.275 93 2HD PRO 13 3HD PRO 13 17.246 11.817 15.443 94 H ARG 14 H ARG 14 13.729 10.963 16.735 95 HA ARG 14 HA ARG 14 11.834 8.978 17.777 96 1HB ARG 14 2HB ARG 14 12.591 10.600 19.679 97 2HB ARG 14 3HB ARG 14 11.668 11.837 18.857 98 1HG ARG 14 2HG ARG 14 10.439 9.170 19.686 99 2HG ARG 14 3HG ARG 14 10.679 10.450 20.858 100 1HD ARG 14 2HD ARG 14 8.927 10.695 18.387 101 2HD ARG 14 3HD ARG 14 8.383 10.376 20.029 102 HE ARG 14 HE ARG 14 9.896 12.741 20.167 103 1HH1 ARG 14 1HH1 ARG 14 6.889 11.763 18.674 104 2HH1 ARG 14 2HH1 ARG 14 6.232 13.377 18.720 105 1HH2 ARG 14 1HH2 ARG 14 9.011 14.772 20.204 106 2HH2 ARG 14 2HH2 ARG 14 7.409 15.029 19.577 107 H GLY 15 H GLY 15 9.796 9.202 16.822 108 1HA GLY 15 2HA GLY 15 8.057 10.218 15.595 109 2HA GLY 15 1HA GLY 15 9.105 11.578 15.200 110 H SER 16 H SER 16 9.191 8.059 14.629 111 HA SER 16 HA SER 16 10.414 8.095 12.074 112 1HB SER 16 2HB SER 16 8.755 5.904 13.381 113 2HB SER 16 3HB SER 16 10.000 5.682 12.140 114 HG SER 16 HG SER 16 11.564 6.318 13.613 115 H GLN 17 H GLN 17 7.848 9.673 12.049 116 HA GLN 17 HA GLN 17 5.689 8.247 10.917 117 1HB GLN 17 2HB GLN 17 5.738 10.556 12.011 118 2HB GLN 17 3HB GLN 17 6.288 11.191 10.455 119 1HG GLN 17 2HG GLN 17 4.199 10.204 9.406 120 2HG GLN 17 3HG GLN 17 3.664 9.729 11.018 121 1HE2 GLN 17 1HE2 GLN 17 2.987 11.977 8.755 122 2HE2 GLN 17 2HE2 GLN 17 2.641 13.344 9.811 123 H GLU 18 H GLU 18 8.404 9.825 9.232 124 HA GLU 18 HA GLU 18 7.380 9.337 6.530 125 1HB GLU 18 2HB GLU 18 10.254 9.773 7.470 126 2HB GLU 18 3HB GLU 18 9.693 9.745 5.807 127 1HG GLU 18 2HG GLU 18 9.928 12.017 6.321 128 2HG GLU 18 3HG GLU 18 8.198 11.704 6.294 129 H ILE 19 H ILE 19 9.530 7.599 8.748 130 HA ILE 19 HA ILE 19 10.358 5.550 6.915 131 HB ILE 19 HB ILE 19 10.392 5.598 9.947 132 1HG1 ILE 19 2HG1 ILE 19 12.605 6.155 7.913 133 2HG1 ILE 19 3HG1 ILE 19 11.702 7.410 8.758 134 1HG2 ILE 19 1HG2 ILE 19 11.815 3.716 8.007 135 2HG2 ILE 19 2HG2 ILE 19 12.115 3.794 9.757 136 3HG2 ILE 19 3HG2 ILE 19 10.551 3.269 9.178 137 1HD1 ILE 19 1HD1 ILE 19 13.595 5.417 10.033 138 2HD1 ILE 19 2HD1 ILE 19 13.758 7.171 9.880 139 3HD1 ILE 19 3HD1 ILE 19 12.504 6.494 10.942 140 H GLU 20 H GLU 20 7.595 5.744 9.163 141 HA GLU 20 HA GLU 20 6.588 3.102 8.885 142 1HB GLU 20 2HB GLU 20 5.165 5.781 9.085 143 2HB GLU 20 3HB GLU 20 4.276 4.272 9.003 144 1HG GLU 20 2HG GLU 20 6.311 5.014 11.143 145 2HG GLU 20 3HG GLU 20 4.560 5.076 11.314 146 H ALA 21 H ALA 21 6.228 5.824 6.580 147 HA ALA 21 HA ALA 21 4.657 4.260 4.729 148 1HB ALA 21 1HB ALA 21 6.178 6.870 4.300 149 2HB ALA 21 2HB ALA 21 4.958 6.181 3.213 150 3HB ALA 21 3HB ALA 21 4.489 6.717 4.835 151 H LYS 22 H LYS 22 8.106 5.159 4.874 152 HA LYS 22 HA LYS 22 8.976 3.876 2.457 153 1HB LYS 22 2HB LYS 22 10.503 4.288 5.059 154 2HB LYS 22 3HB LYS 22 11.215 3.780 3.527 155 1HG LYS 22 2HG LYS 22 10.532 5.905 2.459 156 2HG LYS 22 3HG LYS 22 9.748 6.421 3.950 157 1HD LYS 22 2HD LYS 22 11.848 7.524 3.908 158 2HD LYS 22 3HD LYS 22 11.980 6.248 5.125 159 1HE LYS 22 2HE LYS 22 13.053 4.790 3.305 160 2HE LYS 22 3HE LYS 22 13.054 6.219 2.265 161 1HZ LYS 22 1HZ LYS 22 14.472 5.965 4.866 162 2HZ LYS 22 2HZ LYS 22 14.441 7.331 3.966 163 3HZ LYS 22 3HZ LYS 22 15.174 5.988 3.394 164 H GLU 23 H GLU 23 8.856 2.566 5.763 165 HA GLU 23 HA GLU 23 9.650 -0.119 5.216 166 1HB GLU 23 2HB GLU 23 7.869 1.122 7.348 167 2HB GLU 23 3HB GLU 23 8.150 -0.610 7.278 168 1HG GLU 23 2HG GLU 23 10.387 1.442 7.485 169 2HG GLU 23 3HG GLU 23 9.652 0.629 8.863 170 H ALA 24 H ALA 24 6.281 1.230 5.350 171 HA ALA 24 HA ALA 24 4.939 -1.133 4.692 172 1HB ALA 24 1HB ALA 24 3.151 0.453 3.862 173 2HB ALA 24 2HB ALA 24 3.809 0.903 5.450 174 3HB ALA 24 3HB ALA 24 4.332 1.768 3.997 175 H CYS 25 H CYS 25 6.284 1.251 2.402 176 HA CYS 25 HA CYS 25 5.457 -0.172 0.021 177 1HB CYS 25 2HB CYS 25 5.935 2.306 0.291 178 2HB CYS 25 3HB CYS 25 7.666 1.911 0.303 179 HG CYS 25 HG CYS 25 6.820 2.819 -2.085 180 H ASP 26 H ASP 26 8.692 0.099 1.621 181 HA ASP 26 HA ASP 26 10.091 -1.619 -0.171 182 1HB ASP 26 2HB ASP 26 11.125 0.014 1.380 183 2HB ASP 26 3HB ASP 26 10.642 -0.984 2.755 184 H TRP 27 H TRP 27 8.408 -2.368 2.891 185 HA TRP 27 HA TRP 27 9.110 -5.098 3.153 186 1HB TRP 27 2HB TRP 27 8.043 -3.828 4.944 187 2HB TRP 27 3HB TRP 27 6.577 -3.624 3.971 188 HD1 TRP 27 HD1 TRP 27 8.465 -6.195 6.042 189 HE1 TRP 27 1HE TRP 27 7.045 -8.328 6.322 190 HE3 TRP 27 3HE TRP 27 4.488 -4.945 3.052 191 HZ2 TRP 27 2HZ TRP 27 4.710 -9.453 5.142 192 HZ3 TRP 27 3HZ TRP 27 2.698 -6.610 2.588 193 HH2 TRP 27 HH2 TRP 27 2.807 -8.873 3.592 194 H LEU 28 H LEU 28 6.404 -3.627 1.325 195 HA LEU 28 HA LEU 28 5.094 -6.032 0.587 196 1HB LEU 28 2HB LEU 28 5.093 -3.188 -0.221 197 2HB LEU 28 3HB LEU 28 4.788 -4.258 -1.580 198 HG LEU 28 HG LEU 28 3.178 -4.325 1.003 199 1HD1 LEU 28 1HD1 LEU 28 2.801 -2.228 -0.031 200 2HD1 LEU 28 2HD1 LEU 28 1.466 -3.239 -0.607 201 3HD1 LEU 28 3HD1 LEU 28 2.836 -2.906 -1.666 202 1HD2 LEU 28 1HD2 LEU 28 3.064 -6.472 -0.126 203 2HD2 LEU 28 2HD2 LEU 28 2.908 -5.695 -1.707 204 3HD2 LEU 28 3HD2 LEU 28 1.583 -5.600 -0.526 205 H ARG 29 H ARG 29 7.681 -4.297 -1.084 206 HA ARG 29 HA ARG 29 8.056 -6.200 -3.243 207 1HB ARG 29 2HB ARG 29 8.873 -3.986 -3.530 208 2HB ARG 29 3HB ARG 29 9.808 -4.021 -2.034 209 1HG ARG 29 2HG ARG 29 11.458 -5.457 -2.927 210 2HG ARG 29 3HG ARG 29 10.446 -5.949 -4.291 211 1HD ARG 29 2HD ARG 29 10.631 -3.739 -5.314 212 2HD ARG 29 3HD ARG 29 11.434 -3.101 -3.878 213 HE ARG 29 HE ARG 29 13.439 -3.926 -4.611 214 1HH1 ARG 29 1HH1 ARG 29 11.037 -5.658 -6.482 215 2HH1 ARG 29 2HH1 ARG 29 12.248 -6.479 -7.428 216 1HH2 ARG 29 1HH2 ARG 29 14.911 -4.969 -5.860 217 2HH2 ARG 29 2HH2 ARG 29 14.384 -6.078 -7.090 218 H ALA 30 H ALA 30 9.742 -5.860 -0.104 219 HA ALA 30 HA ALA 30 11.454 -8.102 -0.392 220 1HB ALA 30 1HB ALA 30 10.240 -6.969 2.169 221 2HB ALA 30 2HB ALA 30 11.709 -7.950 2.036 222 3HB ALA 30 3HB ALA 30 11.671 -6.322 1.329 223 H ALA 31 H ALA 31 8.090 -8.018 0.762 224 HA ALA 31 HA ALA 31 7.898 -10.700 1.691 225 1HB ALA 31 1HB ALA 31 5.742 -8.792 0.669 226 2HB ALA 31 2HB ALA 31 5.493 -10.215 1.696 227 3HB ALA 31 3HB ALA 31 6.401 -8.828 2.322 228 H GLY 32 H GLY 32 7.913 -9.534 -1.571 229 1HA GLY 32 2HA GLY 32 8.207 -11.146 -3.362 230 2HA GLY 32 1HA GLY 32 7.033 -12.214 -2.603 231 H PHE 33 H PHE 33 5.784 -9.068 -2.444 232 HA PHE 33 HA PHE 33 4.409 -9.303 -5.096 233 1HB PHE 33 2HB PHE 33 3.081 -8.441 -2.520 234 2HB PHE 33 3HB PHE 33 2.336 -8.621 -4.106 235 HD1 PHE 33 2HD PHE 33 2.974 -11.190 -5.149 236 HD2 PHE 33 1HD PHE 33 2.355 -10.075 -1.023 237 HE1 PHE 33 2HE PHE 33 2.380 -13.532 -4.600 238 HE2 PHE 33 1HE PHE 33 1.740 -12.416 -0.490 239 HZ PHE 33 HZ PHE 33 1.765 -14.154 -2.269 240 HA PRO 34 HA PRO 34 6.420 -5.087 -4.577 241 1HB PRO 34 2HB PRO 34 7.834 -5.040 -6.939 242 2HB PRO 34 3HB PRO 34 8.460 -5.766 -5.435 243 1HG PRO 34 2HG PRO 34 7.095 -7.176 -7.741 244 2HG PRO 34 3HG PRO 34 8.627 -7.623 -6.920 245 1HD PRO 34 2HD PRO 34 6.280 -8.806 -6.271 246 2HD PRO 34 3HD PRO 34 7.483 -8.400 -5.009 247 H GLN 35 H GLN 35 4.485 -6.670 -6.986 248 HA GLN 35 HA GLN 35 3.745 -4.609 -8.717 249 1HB GLN 35 2HB GLN 35 1.685 -5.831 -9.078 250 2HB GLN 35 3HB GLN 35 3.056 -6.931 -8.973 251 1HG GLN 35 2HG GLN 35 2.369 -7.389 -6.540 252 2HG GLN 35 3HG GLN 35 0.905 -6.454 -6.859 253 1HE2 GLN 35 1HE2 GLN 35 -0.840 -7.519 -7.908 254 2HE2 GLN 35 2HE2 GLN 35 -0.676 -9.160 -8.518 255 H TYR 36 H TYR 36 2.477 -5.175 -5.401 256 HA TYR 36 HA TYR 36 0.620 -2.945 -5.553 257 1HB TYR 36 2HB TYR 36 1.716 -4.386 -3.129 258 2HB TYR 36 3HB TYR 36 0.321 -3.313 -3.159 259 HD1 TYR 36 1HD TYR 36 -1.404 -4.050 -5.253 260 HD2 TYR 36 2HD TYR 36 1.150 -6.650 -2.937 261 HE1 TYR 36 1HE TYR 36 -2.818 -6.005 -5.870 262 HE2 TYR 36 2HE TYR 36 -0.279 -8.590 -3.535 263 HH TYR 36 HH TYR 36 -2.073 -9.325 -4.776 264 H ALA 37 H ALA 37 3.898 -3.311 -4.125 265 HA ALA 37 HA ALA 37 4.179 -0.735 -3.000 266 1HB ALA 37 1HB ALA 37 5.779 -2.521 -2.591 267 2HB ALA 37 2HB ALA 37 6.276 -2.536 -4.294 268 3HB ALA 37 3HB ALA 37 6.619 -1.128 -3.272 269 H GLN 38 H GLN 38 4.989 -1.789 -6.319 270 HA GLN 38 HA GLN 38 5.869 0.741 -7.306 271 1HB GLN 38 2HB GLN 38 4.812 -1.798 -8.591 272 2HB GLN 38 3HB GLN 38 5.236 -0.402 -9.577 273 1HG GLN 38 2HG GLN 38 7.185 -1.672 -7.600 274 2HG GLN 38 3HG GLN 38 7.070 -2.135 -9.295 275 1HE2 GLN 38 1HE2 GLN 38 8.469 0.212 -7.105 276 2HE2 GLN 38 2HE2 GLN 38 9.109 1.240 -8.380 277 H LEU 39 H LEU 39 2.598 -0.252 -6.658 278 HA LEU 39 HA LEU 39 1.423 1.768 -8.458 279 1HB LEU 39 2HB LEU 39 0.222 -0.200 -6.482 280 2HB LEU 39 3HB LEU 39 -0.733 0.928 -7.403 281 HG LEU 39 HG LEU 39 1.106 -1.109 -8.712 282 1HD1 LEU 39 1HD1 LEU 39 -0.828 -2.500 -9.093 283 2HD1 LEU 39 2HD1 LEU 39 -1.915 -1.301 -8.347 284 3HD1 LEU 39 3HD1 LEU 39 -0.730 -2.178 -7.356 285 1HD2 LEU 39 1HD2 LEU 39 -0.183 -0.729 -10.724 286 2HD2 LEU 39 2HD2 LEU 39 0.524 0.792 -10.176 287 3HD2 LEU 39 3HD2 LEU 39 -1.201 0.463 -9.900 288 H TYR 40 H TYR 40 2.941 2.066 -5.494 289 HA TYR 40 HA TYR 40 1.215 3.833 -4.080 290 1HB TYR 40 2HB TYR 40 3.203 2.816 -3.056 291 2HB TYR 40 3HB TYR 40 4.250 3.693 -4.149 292 HD1 TYR 40 2HD TYR 40 1.256 5.053 -2.260 293 HD2 TYR 40 1HD TYR 40 5.564 4.938 -2.630 294 HE1 TYR 40 2HE TYR 40 1.446 6.866 -0.592 295 HE2 TYR 40 1HE TYR 40 5.741 6.745 -0.920 296 HH TYR 40 HH TYR 40 2.859 8.218 0.603 297 H GLU 41 H GLU 41 4.004 4.760 -6.155 298 HA GLU 41 HA GLU 41 3.384 7.562 -6.129 299 1HB GLU 41 2HB GLU 41 5.056 5.987 -8.129 300 2HB GLU 41 3HB GLU 41 5.052 7.744 -7.920 301 1HG GLU 41 2HG GLU 41 5.784 7.399 -5.523 302 2HG GLU 41 3HG GLU 41 5.976 5.681 -5.876 303 H ASP 42 H ASP 42 2.244 4.988 -8.189 304 HA ASP 42 HA ASP 42 0.960 6.676 -10.204 305 1HB ASP 42 2HB ASP 42 0.857 3.730 -9.485 306 2HB ASP 42 3HB ASP 42 -0.241 4.419 -10.669 307 H SER 43 H SER 43 0.201 6.161 -6.964 308 HA SER 43 HA SER 43 -1.564 6.529 -5.643 309 1HB SER 43 2HB SER 43 -1.563 8.648 -7.093 310 2HB SER 43 3HB SER 43 -3.002 7.975 -7.879 311 HG SER 43 HG SER 43 -3.533 9.311 -6.085 312 H GLN 44 H GLN 44 -1.490 4.055 -6.827 313 HA GLN 44 HA GLN 44 -4.377 3.271 -6.938 314 1HB GLN 44 2HB GLN 44 -2.126 2.093 -8.599 315 2HB GLN 44 3HB GLN 44 -3.800 1.517 -8.548 316 1HG GLN 44 2HG GLN 44 -4.452 3.905 -9.292 317 2HG GLN 44 3HG GLN 44 -2.742 4.115 -9.679 318 1HE2 GLN 44 1HE2 GLN 44 -5.668 3.288 -11.074 319 2HE2 GLN 44 2HE2 GLN 44 -5.029 2.300 -12.384 320 H PHE 45 H PHE 45 -2.449 3.352 -4.652 321 HA PHE 45 HA PHE 45 -2.081 0.651 -3.712 322 1HB PHE 45 2HB PHE 45 -1.672 3.315 -2.682 323 2HB PHE 45 3HB PHE 45 -2.610 2.415 -1.510 324 HD1 PHE 45 2HD PHE 45 0.282 1.682 -3.811 325 HD2 PHE 45 1HD PHE 45 -1.331 1.412 0.175 326 HE1 PHE 45 2HE PHE 45 2.400 0.673 -3.017 327 HE2 PHE 45 1HE PHE 45 0.800 0.363 0.949 328 HZ PHE 45 HZ PHE 45 2.658 0.000 -0.646 329 HA PRO 46 HA PRO 46 -6.361 0.804 -1.679 330 1HB PRO 46 2HB PRO 46 -8.198 2.768 -2.145 331 2HB PRO 46 3HB PRO 46 -6.912 2.905 -0.930 332 1HG PRO 46 2HG PRO 46 -6.938 4.059 -3.716 333 2HG PRO 46 3HG PRO 46 -6.437 4.824 -2.170 334 1HD PRO 46 2HD PRO 46 -4.673 3.730 -3.959 335 2HD PRO 46 3HD PRO 46 -4.370 3.772 -2.197 336 H ILE 47 H ILE 47 -6.230 -0.875 -3.257 337 HA ILE 47 HA ILE 47 -8.544 -0.839 -5.152 338 HB ILE 47 HB ILE 47 -7.279 -2.338 -6.675 339 1HG1 ILE 47 2HG1 ILE 47 -4.713 -1.229 -5.483 340 2HG1 ILE 47 3HG1 ILE 47 -5.336 -2.763 -4.943 341 1HG2 ILE 47 1HG2 ILE 47 -7.748 0.052 -7.138 342 2HG2 ILE 47 2HG2 ILE 47 -6.189 0.496 -6.418 343 3HG2 ILE 47 3HG2 ILE 47 -6.245 -0.488 -7.891 344 1HD1 ILE 47 1HD1 ILE 47 -4.627 -2.125 -7.832 345 2HD1 ILE 47 2HD1 ILE 47 -3.683 -3.110 -6.695 346 3HD1 ILE 47 3HD1 ILE 47 -5.281 -3.667 -7.229 347 H ASN 48 H ASN 48 -9.697 -1.678 -3.424 348 HA ASN 48 HA ASN 48 -10.697 -3.316 -2.163 349 1HB ASN 48 2HB ASN 48 -9.872 -5.052 -4.531 350 2HB ASN 48 3HB ASN 48 -11.146 -5.406 -3.378 351 1HD2 ASN 48 1HD2 ASN 48 -13.217 -4.814 -3.988 352 2HD2 ASN 48 2HD2 ASN 48 -13.525 -3.656 -5.276 353 H ILE 49 H ILE 49 -8.686 -2.950 -0.691 354 HA ILE 49 HA ILE 49 -6.585 -4.836 -0.596 355 HB ILE 49 HB ILE 49 -7.724 -3.240 1.722 356 1HG1 ILE 49 2HG1 ILE 49 -5.247 -2.646 0.035 357 2HG1 ILE 49 3HG1 ILE 49 -6.823 -1.982 -0.376 358 1HG2 ILE 49 1HG2 ILE 49 -5.053 -4.714 1.419 359 2HG2 ILE 49 2HG2 ILE 49 -5.396 -3.558 2.716 360 3HG2 ILE 49 3HG2 ILE 49 -6.316 -5.039 2.625 361 1HD1 ILE 49 1HD1 ILE 49 -6.988 -0.786 1.714 362 2HD1 ILE 49 2HD1 ILE 49 -5.460 -1.468 2.300 363 3HD1 ILE 49 3HD1 ILE 49 -5.451 -0.402 0.896 364 H VAL 50 H VAL 50 -9.865 -5.221 0.648 365 HA VAL 50 HA VAL 50 -9.329 -7.627 2.180 366 HB VAL 50 HB VAL 50 -11.949 -6.767 0.886 367 1HG1 VAL 50 1HG1 VAL 50 -11.374 -8.728 3.155 368 2HG1 VAL 50 2HG1 VAL 50 -12.986 -8.163 2.665 369 3HG1 VAL 50 3HG1 VAL 50 -12.030 -9.132 1.550 370 1HG2 VAL 50 1HG2 VAL 50 -12.396 -6.041 3.348 371 2HG2 VAL 50 2HG2 VAL 50 -10.632 -6.111 3.550 372 3HG2 VAL 50 3HG2 VAL 50 -11.361 -5.005 2.362 373 H ALA 51 H ALA 51 -9.972 -7.091 -1.276 374 HA ALA 51 HA ALA 51 -10.455 -9.869 -1.931 375 1HB ALA 51 1HB ALA 51 -10.276 -9.117 -4.244 376 2HB ALA 51 2HB ALA 51 -11.278 -7.988 -3.317 377 3HB ALA 51 3HB ALA 51 -9.598 -7.563 -3.734 378 H VAL 52 H VAL 52 -7.537 -7.766 -2.145 379 HA VAL 52 HA VAL 52 -5.891 -9.689 -3.421 380 HB VAL 52 HB VAL 52 -3.971 -8.422 -2.904 381 1HG1 VAL 52 1HG1 VAL 52 -5.578 -7.444 -4.539 382 2HG1 VAL 52 2HG1 VAL 52 -6.265 -6.438 -3.239 383 3HG1 VAL 52 3HG1 VAL 52 -4.579 -6.226 -3.729 384 1HG2 VAL 52 1HG2 VAL 52 -3.880 -6.515 -1.391 385 2HG2 VAL 52 2HG2 VAL 52 -5.538 -6.830 -0.867 386 3HG2 VAL 52 3HG2 VAL 52 -4.243 -7.991 -0.492 387 H LYS 53 H LYS 53 -6.795 -9.620 -0.088 388 HA LYS 53 HA LYS 53 -4.703 -11.289 1.008 389 1HB LYS 53 2HB LYS 53 -7.580 -11.201 1.997 390 2HB LYS 53 3HB LYS 53 -6.112 -11.574 2.908 391 1HG LYS 53 2HG LYS 53 -5.379 -9.138 2.286 392 2HG LYS 53 3HG LYS 53 -7.071 -8.944 1.823 393 1HD LYS 53 2HD LYS 53 -6.004 -9.431 4.613 394 2HD LYS 53 3HD LYS 53 -6.712 -7.972 3.950 395 1HE LYS 53 2HE LYS 53 -8.504 -8.726 5.112 396 2HE LYS 53 3HE LYS 53 -8.851 -9.446 3.539 397 1HZ LYS 53 1HZ LYS 53 -7.928 -11.550 4.398 398 2HZ LYS 53 2HZ LYS 53 -9.109 -11.028 5.389 399 3HZ LYS 53 3HZ LYS 53 -7.554 -10.847 5.830 400 H ASN 54 H ASN 54 -7.461 -12.054 -0.939 401 HA ASN 54 HA ASN 54 -7.337 -14.965 -0.338 402 1HB ASN 54 2HB ASN 54 -9.341 -13.220 -1.832 403 2HB ASN 54 3HB ASN 54 -9.440 -14.974 -1.777 404 1HD2 ASN 54 1HD2 ASN 54 -10.691 -12.282 -0.281 405 2HD2 ASN 54 2HD2 ASN 54 -11.077 -13.058 1.249 406 H ASP 55 H ASP 55 -5.568 -13.072 -2.331 407 HA ASP 55 HA ASP 55 -5.632 -14.633 -4.802 408 1HB ASP 55 2HB ASP 55 -3.688 -12.584 -3.681 409 2HB ASP 55 3HB ASP 55 -3.414 -13.449 -5.187 410 H HIS 56 H HIS 56 -5.601 -16.692 -3.813 411 HA HIS 56 HA HIS 56 -4.758 -18.640 -2.944 412 1HB HIS 56 2HB HIS 56 -2.754 -17.983 -5.129 413 2HB HIS 56 3HB HIS 56 -2.995 -19.579 -4.418 414 HD1 HIS 56 1HD HIS 56 -4.073 -17.740 -7.359 415 HD2 HIS 56 2HD HIS 56 -5.805 -20.417 -4.595 416 HE1 HIS 56 1HE HIS 56 -6.111 -18.744 -8.517 417 H ASP 57 H ASP 57 -4.250 -17.946 -0.795 418 HA ASP 57 HA ASP 57 -1.653 -17.033 -0.007 419 1HB ASP 57 2HB ASP 57 -2.461 -17.394 2.268 420 2HB ASP 57 3HB ASP 57 -3.557 -16.445 1.279 421 H PHE 58 H PHE 58 -0.226 -18.463 -1.032 422 HA PHE 58 HA PHE 58 0.049 -21.238 -0.188 423 1HB PHE 58 2HB PHE 58 1.953 -21.271 -1.696 424 2HB PHE 58 3HB PHE 58 0.549 -20.558 -2.455 425 HD1 PHE 58 1HD PHE 58 3.910 -19.819 -1.022 426 HD2 PHE 58 2HD PHE 58 0.603 -18.302 -3.326 427 HE1 PHE 58 1HE PHE 58 5.257 -17.830 -1.668 428 HE2 PHE 58 2HE PHE 58 1.927 -16.304 -3.931 429 HZ PHE 58 HZ PHE 58 4.261 -16.057 -3.099 430 H LEU 59 H LEU 59 0.757 -18.567 1.526 431 HA LEU 59 HA LEU 59 3.065 -19.763 3.006 432 1HB LEU 59 2HB LEU 59 2.856 -17.203 1.683 433 2HB LEU 59 3HB LEU 59 2.813 -16.899 3.400 434 HG LEU 59 HG LEU 59 5.046 -16.695 2.435 435 1HD1 LEU 59 1HD1 LEU 59 4.924 -19.040 4.374 436 2HD1 LEU 59 2HD1 LEU 59 4.849 -17.307 4.809 437 3HD1 LEU 59 3HD1 LEU 59 6.304 -17.980 4.063 438 1HD2 LEU 59 1HD2 LEU 59 4.858 -18.440 0.695 439 2HD2 LEU 59 2HD2 LEU 59 4.997 -19.704 1.938 440 3HD2 LEU 59 3HD2 LEU 59 6.337 -18.575 1.652 441 H GLU 60 H GLU 60 3.167 -18.578 5.272 442 HA GLU 60 HA GLU 60 0.956 -19.429 6.872 443 1HB GLU 60 2HB GLU 60 3.184 -17.420 7.435 444 2HB GLU 60 3HB GLU 60 2.077 -18.036 8.657 445 1HG GLU 60 2HG GLU 60 4.025 -19.739 7.043 446 2HG GLU 60 3HG GLU 60 4.283 -19.159 8.682 447 H LYS 61 H LYS 61 -0.768 -18.372 7.793 448 HA LYS 61 HA LYS 61 -1.942 -16.094 6.522 449 1HB LYS 61 2HB LYS 61 -2.502 -17.286 9.266 450 2HB LYS 61 3HB LYS 61 -3.522 -16.101 8.440 451 1HG LYS 61 2HG LYS 61 -3.830 -17.699 6.542 452 2HG LYS 61 3HG LYS 61 -2.936 -18.929 7.446 453 1HD LYS 61 2HD LYS 61 -5.495 -17.562 8.390 454 2HD LYS 61 3HD LYS 61 -5.420 -19.155 7.625 455 1HE LYS 61 2HE LYS 61 -4.101 -20.063 9.454 456 2HE LYS 61 3HE LYS 61 -3.939 -18.470 10.202 457 1HZ LYS 61 1HZ LYS 61 -6.514 -19.908 9.866 458 2HZ LYS 61 2HZ LYS 61 -6.331 -18.448 10.580 459 3HZ LYS 61 3HZ LYS 61 -5.685 -19.779 11.265 460 H ASP 62 H ASP 62 0.407 -16.187 9.053 461 HA ASP 62 HA ASP 62 0.100 -13.563 10.142 462 1HB ASP 62 2HB ASP 62 1.486 -15.410 11.080 463 2HB ASP 62 3HB ASP 62 2.631 -15.203 9.753 464 H LEU 63 H LEU 63 1.279 -14.531 6.973 465 HA LEU 63 HA LEU 63 2.610 -12.027 6.330 466 1HB LEU 63 2HB LEU 63 3.075 -14.158 5.169 467 2HB LEU 63 3HB LEU 63 1.404 -14.230 4.600 468 HG LEU 63 HG LEU 63 1.731 -12.276 3.185 469 1HD1 LEU 63 1HD1 LEU 63 4.605 -12.276 4.199 470 2HD1 LEU 63 2HD1 LEU 63 3.365 -11.042 4.512 471 3HD1 LEU 63 3HD1 LEU 63 3.953 -11.282 2.869 472 1HD2 LEU 63 1HD2 LEU 63 2.893 -14.794 2.753 473 2HD2 LEU 63 2HD2 LEU 63 4.141 -13.650 2.254 474 3HD2 LEU 63 3HD2 LEU 63 2.519 -13.565 1.545 475 H VAL 64 H VAL 64 -0.739 -13.064 6.421 476 HA VAL 64 HA VAL 64 -1.742 -11.094 4.537 477 HB VAL 64 HB VAL 64 -3.265 -12.785 6.549 478 1HG1 VAL 64 1HG1 VAL 64 -5.170 -12.397 4.974 479 2HG1 VAL 64 2HG1 VAL 64 -4.657 -10.947 5.839 480 3HG1 VAL 64 3HG1 VAL 64 -4.172 -11.175 4.139 481 1HG2 VAL 64 1HG2 VAL 64 -3.750 -14.214 4.563 482 2HG2 VAL 64 2HG2 VAL 64 -2.666 -13.205 3.578 483 3HG2 VAL 64 3HG2 VAL 64 -2.021 -14.181 4.912 484 H GLU 65 H GLU 65 -1.208 -11.105 8.007 485 HA GLU 65 HA GLU 65 -2.709 -8.821 8.778 486 1HB GLU 65 2HB GLU 65 -0.474 -10.387 9.890 487 2HB GLU 65 3HB GLU 65 -0.381 -8.686 10.323 488 1HG GLU 65 2HG GLU 65 -2.839 -10.426 10.734 489 2HG GLU 65 3HG GLU 65 -1.616 -10.103 11.962 490 HA PRO 66 HA PRO 66 0.775 -5.792 7.653 491 1HB PRO 66 2HB PRO 66 2.992 -6.582 6.233 492 2HB PRO 66 3HB PRO 66 2.887 -6.554 8.016 493 1HG PRO 66 2HG PRO 66 2.446 -8.918 6.176 494 2HG PRO 66 3HG PRO 66 3.445 -8.844 7.660 495 1HD PRO 66 2HD PRO 66 0.931 -9.843 7.652 496 2HD PRO 66 3HD PRO 66 1.530 -8.878 9.032 497 H LEU 67 H LEU 67 0.149 -8.359 5.220 498 HA LEU 67 HA LEU 67 0.057 -6.658 2.921 499 1HB LEU 67 2HB LEU 67 0.152 -9.108 2.818 500 2HB LEU 67 3HB LEU 67 -1.436 -9.213 3.576 501 HG LEU 67 HG LEU 67 -2.506 -8.212 1.605 502 1HD1 LEU 67 1HD1 LEU 67 -0.685 -6.798 0.726 503 2HD1 LEU 67 2HD1 LEU 67 -1.226 -7.940 -0.506 504 3HD1 LEU 67 3HD1 LEU 67 0.293 -8.240 0.374 505 1HD2 LEU 67 1HD2 LEU 67 -2.206 -10.655 1.775 506 2HD2 LEU 67 2HD2 LEU 67 -0.664 -10.525 0.899 507 3HD2 LEU 67 3HD2 LEU 67 -2.189 -10.095 0.093 508 H CYS 68 H CYS 68 -2.306 -7.067 5.517 509 HA CYS 68 HA CYS 68 -4.236 -5.272 4.139 510 1HB CYS 68 2HB CYS 68 -4.939 -7.219 5.585 511 2HB CYS 68 3HB CYS 68 -4.309 -6.341 6.989 512 HG CYS 68 HG CYS 68 -6.948 -6.104 6.845 513 H ARG 69 H ARG 69 -2.216 -5.229 7.071 514 HA ARG 69 HA ARG 69 -2.848 -2.645 7.950 515 1HB ARG 69 2HB ARG 69 -1.682 -4.659 9.112 516 2HB ARG 69 3HB ARG 69 -0.168 -3.947 8.543 517 1HG ARG 69 2HG ARG 69 -0.737 -1.850 9.794 518 2HG ARG 69 3HG ARG 69 -2.279 -2.594 10.283 519 1HD ARG 69 2HD ARG 69 -0.860 -4.518 11.248 520 2HD ARG 69 3HD ARG 69 0.539 -3.441 11.061 521 HE ARG 69 HE ARG 69 -1.343 -1.930 12.460 522 1HH1 ARG 69 1HH1 ARG 69 0.197 -5.001 13.096 523 2HH1 ARG 69 2HH1 ARG 69 0.002 -4.858 14.822 524 1HH2 ARG 69 1HH2 ARG 69 -1.620 -1.822 14.663 525 2HH2 ARG 69 2HH2 ARG 69 -1.011 -3.099 15.675 526 H ARG 70 H ARG 70 0.134 -3.526 6.169 527 HA ARG 70 HA ARG 70 1.218 -0.841 6.079 528 1HB ARG 70 2HB ARG 70 1.754 -3.250 4.260 529 2HB ARG 70 3HB ARG 70 2.702 -1.785 4.287 530 1HG ARG 70 2HG ARG 70 2.498 -3.858 6.500 531 2HG ARG 70 3HG ARG 70 3.898 -3.432 5.510 532 1HD ARG 70 2HD ARG 70 3.637 -1.054 6.545 533 2HD ARG 70 3HD ARG 70 2.597 -1.839 7.741 534 HE ARG 70 HE ARG 70 4.988 -3.336 7.641 535 1HH1 ARG 70 1HH1 ARG 70 4.088 -0.089 8.550 536 2HH1 ARG 70 2HH1 ARG 70 5.385 0.101 9.672 537 1HH2 ARG 70 1HH2 ARG 70 6.704 -3.055 9.041 538 2HH2 ARG 70 2HH2 ARG 70 6.868 -1.559 9.909 539 H LEU 71 H LEU 71 -0.840 -2.581 3.846 540 HA LEU 71 HA LEU 71 -0.951 -0.627 1.741 541 1HB LEU 71 2HB LEU 71 -2.828 -2.822 2.660 542 2HB LEU 71 3HB LEU 71 -3.238 -1.755 1.335 543 HG LEU 71 HG LEU 71 -2.340 -3.984 0.684 544 1HD1 LEU 71 1HD1 LEU 71 -2.374 -2.052 -0.858 545 2HD1 LEU 71 2HD1 LEU 71 -1.059 -3.188 -1.184 546 3HD1 LEU 71 3HD1 LEU 71 -0.714 -1.651 -0.368 547 1HD2 LEU 71 1HD2 LEU 71 0.402 -2.890 1.434 548 2HD2 LEU 71 2HD2 LEU 71 0.003 -4.468 0.716 549 3HD2 LEU 71 3HD2 LEU 71 -0.466 -4.115 2.377 550 H ASN 72 H ASN 72 -3.127 -1.176 4.541 551 HA ASN 72 HA ASN 72 -4.681 1.183 4.140 552 1HB ASN 72 2HB ASN 72 -5.296 -0.878 5.468 553 2HB ASN 72 3HB ASN 72 -4.212 -0.319 6.744 554 1HD2 ASN 72 1HD2 ASN 72 -5.534 0.476 8.390 555 2HD2 ASN 72 2HD2 ASN 72 -6.912 1.528 8.082 556 H THR 73 H THR 73 -1.583 0.791 5.894 557 HA THR 73 HA THR 73 -1.454 3.338 7.140 558 HB THR 73 HB THR 73 0.885 1.902 5.820 559 HG1 THR 73 1HG THR 73 -0.186 1.648 8.435 560 1HG2 THR 73 1HG2 THR 73 0.763 3.885 8.130 561 2HG2 THR 73 2HG2 THR 73 1.511 4.146 6.538 562 3HG2 THR 73 3HG2 THR 73 2.202 2.956 7.646 563 H LEU 74 H LEU 74 -0.279 2.464 3.846 564 HA LEU 74 HA LEU 74 0.333 5.205 3.147 565 1HB LEU 74 2HB LEU 74 0.450 2.544 1.863 566 2HB LEU 74 3HB LEU 74 0.078 3.846 0.735 567 HG LEU 74 HG LEU 74 2.075 5.074 1.361 568 1HD1 LEU 74 1HD1 LEU 74 2.411 4.625 3.679 569 2HD1 LEU 74 2HD1 LEU 74 3.775 3.886 2.826 570 3HD1 LEU 74 3HD1 LEU 74 2.433 2.870 3.405 571 1HD2 LEU 74 1HD2 LEU 74 2.865 2.161 0.972 572 2HD2 LEU 74 2HD2 LEU 74 3.765 3.608 0.471 573 3HD2 LEU 74 3HD2 LEU 74 2.242 3.197 -0.331 574 H ASN 75 H ASN 75 -2.634 3.315 2.706 575 HA ASN 75 HA ASN 75 -4.037 4.999 0.951 576 1HB ASN 75 2HB ASN 75 -4.966 3.414 3.374 577 2HB ASN 75 3HB ASN 75 -6.079 4.378 2.422 578 1HD2 ASN 75 1HD2 ASN 75 -7.062 2.164 2.293 579 2HD2 ASN 75 2HD2 ASN 75 -6.558 1.243 0.880 580 H LYS 76 H LYS 76 -3.412 5.569 4.388 581 HA LYS 76 HA LYS 76 -5.122 7.780 4.847 582 1HB LYS 76 2HB LYS 76 -3.589 6.334 6.454 583 2HB LYS 76 3HB LYS 76 -2.362 7.540 6.091 584 1HG LYS 76 2HG LYS 76 -3.344 8.269 8.088 585 2HG LYS 76 3HG LYS 76 -4.094 9.309 6.870 586 1HD LYS 76 2HD LYS 76 -6.126 7.861 6.897 587 2HD LYS 76 3HD LYS 76 -5.324 6.759 8.036 588 1HE LYS 76 2HE LYS 76 -5.103 8.690 9.647 589 2HE LYS 76 3HE LYS 76 -6.064 9.675 8.537 590 1HZ LYS 76 1HZ LYS 76 -7.447 8.674 10.267 591 2HZ LYS 76 2HZ LYS 76 -6.990 7.167 9.844 592 3HZ LYS 76 3HZ LYS 76 -7.888 8.067 8.817 593 H CYS 77 H CYS 77 -1.845 7.733 3.537 594 HA CYS 77 HA CYS 77 -1.789 10.665 3.097 595 1HB CYS 77 2HB CYS 77 0.248 8.455 2.572 596 2HB CYS 77 3HB CYS 77 0.526 10.186 2.293 597 HG CYS 77 HG CYS 77 0.044 10.972 4.751 598 H ALA 78 H ALA 78 -2.380 7.753 1.186 599 HA ALA 78 HA ALA 78 -1.993 8.853 -1.412 600 1HB ALA 78 1HB ALA 78 -3.906 6.645 -0.552 601 2HB ALA 78 2HB ALA 78 -3.242 6.904 -2.173 602 3HB ALA 78 3HB ALA 78 -2.164 6.420 -0.851 603 H SER 79 H SER 79 -4.549 9.398 0.826 604 HA SER 79 HA SER 79 -6.604 10.353 0.773 605 1HB SER 79 2HB SER 79 -6.661 12.616 -0.083 606 2HB SER 79 3HB SER 79 -5.138 12.257 0.737 607 HG SER 79 HG SER 79 -5.559 12.326 -2.076 608 H MET 80 H MET 80 -6.760 8.202 -0.799 609 HA MET 80 HA MET 80 -8.706 8.934 -2.955 610 1HB MET 80 2HB MET 80 -6.459 6.915 -2.929 611 2HB MET 80 3HB MET 80 -7.870 6.650 -3.952 612 1HG MET 80 2HG MET 80 -6.155 9.155 -4.081 613 2HG MET 80 3HG MET 80 -5.884 7.709 -5.039 614 1HE MET 80 1HE MET 80 -7.206 11.095 -5.058 615 2HE MET 80 2HE MET 80 -8.688 11.112 -6.035 616 3HE MET 80 3HE MET 80 -8.745 10.549 -4.356 617 H LYS 81 H LYS 81 -10.315 7.385 -3.395 618 HA LYS 81 HA LYS 81 -11.745 6.560 -1.065 619 1HB LYS 81 2HB LYS 81 -12.763 7.392 -3.204 620 2HB LYS 81 3HB LYS 81 -12.247 5.907 -4.002 621 1HG LYS 81 2HG LYS 81 -14.563 5.680 -3.487 622 2HG LYS 81 3HG LYS 81 -13.689 4.596 -2.413 623 1HD LYS 81 2HD LYS 81 -13.886 6.376 -0.589 624 2HD LYS 81 3HD LYS 81 -14.821 7.349 -1.729 625 1HE LYS 81 2HE LYS 81 -16.406 6.262 -0.344 626 2HE LYS 81 3HE LYS 81 -16.471 5.437 -1.904 627 1HZ LYS 81 1HZ LYS 81 -15.002 4.456 0.494 628 2HZ LYS 81 2HZ LYS 81 -15.084 3.668 -0.934 629 3HZ LYS 81 3HZ LYS 81 -16.430 3.870 -0.035 Start of MODEL 5 1 1H MET 1 1H MET 1 -11.897 3.795 -22.580 2 2H MET 1 2H MET 1 -13.160 4.786 -22.859 3 3H MET 1 3H MET 1 -13.382 3.419 -21.988 4 HA MET 1 HA MET 1 -13.359 5.198 -20.439 5 1HB MET 1 2HB MET 1 -10.649 3.786 -20.396 6 2HB MET 1 3HB MET 1 -11.344 4.705 -19.061 7 1HG MET 1 2HG MET 1 -12.443 2.136 -20.242 8 2HG MET 1 3HG MET 1 -11.675 2.354 -18.673 9 1HE MET 1 1HE MET 1 -13.738 0.955 -17.685 10 2HE MET 1 2HE MET 1 -15.438 1.442 -17.873 11 3HE MET 1 3HE MET 1 -14.509 0.899 -19.288 12 H HIS 2 H HIS 2 -12.234 7.003 -19.459 13 HA HIS 2 HA HIS 2 -10.351 8.477 -21.257 14 1HB HIS 2 2HB HIS 2 -12.622 9.585 -19.557 15 2HB HIS 2 3HB HIS 2 -11.391 10.564 -20.342 16 HD1 HIS 2 1HD HIS 2 -11.432 10.554 -23.121 17 HD2 HIS 2 2HD HIS 2 -14.696 8.869 -21.045 18 HE1 HIS 2 1HE HIS 2 -13.327 10.362 -24.809 19 H HIS 3 H HIS 3 -9.022 10.026 -20.092 20 HA HIS 3 HA HIS 3 -8.475 9.429 -17.219 21 1HB HIS 3 2HB HIS 3 -6.441 9.798 -19.458 22 2HB HIS 3 3HB HIS 3 -6.047 9.840 -17.743 23 HD1 HIS 3 1HD HIS 3 -6.520 7.365 -20.531 24 HD2 HIS 3 2HD HIS 3 -6.476 7.491 -16.314 25 HE1 HIS 3 1HE HIS 3 -6.221 4.957 -19.748 26 H HIS 4 H HIS 4 -7.508 11.204 -16.081 27 HA HIS 4 HA HIS 4 -7.889 13.900 -17.301 28 1HB HIS 4 2HB HIS 4 -8.782 14.749 -15.244 29 2HB HIS 4 3HB HIS 4 -9.786 13.438 -15.841 30 HD1 HIS 4 1HD HIS 4 -7.590 14.373 -12.867 31 HD2 HIS 4 2HD HIS 4 -9.821 11.127 -14.376 32 HE1 HIS 4 1HE HIS 4 -7.822 12.712 -10.945 33 H HIS 5 H HIS 5 -6.154 15.115 -17.259 34 HA HIS 5 HA HIS 5 -3.708 14.343 -15.850 35 1HB HIS 5 2HB HIS 5 -4.439 16.887 -17.357 36 2HB HIS 5 3HB HIS 5 -2.820 16.436 -16.823 37 HD1 HIS 5 1HD HIS 5 -2.485 13.519 -17.866 38 HD2 HIS 5 2HD HIS 5 -4.446 16.629 -19.941 39 HE1 HIS 5 1HE HIS 5 -2.450 12.868 -20.324 40 H HIS 6 H HIS 6 -2.559 15.946 -14.465 41 HA HIS 6 HA HIS 6 -4.203 17.850 -12.943 42 1HB HIS 6 2HB HIS 6 -3.514 17.006 -10.777 43 2HB HIS 6 3HB HIS 6 -4.395 15.761 -11.644 44 HD1 HIS 6 1HD HIS 6 -0.860 16.544 -10.358 45 HD2 HIS 6 2HD HIS 6 -3.038 13.532 -12.357 46 HE1 HIS 6 1HE HIS 6 0.595 14.441 -10.293 47 H HIS 7 H HIS 7 -2.845 19.283 -11.599 48 HA HIS 7 HA HIS 7 -0.404 20.110 -12.970 49 1HB HIS 7 2HB HIS 7 -0.375 21.871 -11.198 50 2HB HIS 7 3HB HIS 7 -1.856 21.804 -12.139 51 HD1 HIS 7 1HD HIS 7 -4.079 21.629 -10.769 52 HD2 HIS 7 2HD HIS 7 -0.573 20.717 -8.604 53 HE1 HIS 7 1HE HIS 7 -4.793 21.333 -8.344 54 H SER 8 H SER 8 1.628 20.474 -11.838 55 HA SER 8 HA SER 8 2.574 18.083 -10.437 56 1HB SER 8 2HB SER 8 3.995 20.644 -11.255 57 2HB SER 8 3HB SER 8 4.776 19.229 -10.524 58 HG SER 8 HG SER 8 3.343 19.279 -12.999 59 H SER 9 H SER 9 1.155 18.312 -8.597 60 HA SER 9 HA SER 9 1.510 20.313 -6.540 61 1HB SER 9 2HB SER 9 0.276 18.644 -5.136 62 2HB SER 9 3HB SER 9 -0.529 19.038 -6.660 63 HG SER 9 HG SER 9 -0.480 16.765 -6.239 64 H GLY 10 H GLY 10 2.303 19.857 -4.352 65 1HA GLY 10 2HA GLY 10 4.876 18.359 -4.264 66 2HA GLY 10 1HA GLY 10 4.276 19.487 -3.053 67 H LEU 11 H LEU 11 5.287 16.805 -2.633 68 HA LEU 11 HA LEU 11 3.020 15.604 -1.166 69 1HB LEU 11 2HB LEU 11 3.568 14.781 -3.766 70 2HB LEU 11 3HB LEU 11 4.437 13.581 -2.839 71 HG LEU 11 HG LEU 11 1.497 14.350 -2.489 72 1HD1 LEU 11 1HD1 LEU 11 2.733 11.884 -3.781 73 2HD1 LEU 11 2HD1 LEU 11 1.947 13.229 -4.639 74 3HD1 LEU 11 3HD1 LEU 11 0.997 12.203 -3.558 75 1HD2 LEU 11 1HD2 LEU 11 2.412 13.432 -0.388 76 2HD2 LEU 11 2HD2 LEU 11 3.053 12.029 -1.273 77 3HD2 LEU 11 3HD2 LEU 11 1.298 12.288 -1.145 78 H VAL 12 H VAL 12 5.086 16.889 -0.029 79 HA VAL 12 HA VAL 12 6.625 14.753 1.379 80 HB VAL 12 HB VAL 12 8.134 15.511 -0.191 81 1HG1 VAL 12 1HG1 VAL 12 7.823 18.404 0.686 82 2HG1 VAL 12 2HG1 VAL 12 8.935 17.754 -0.529 83 3HG1 VAL 12 3HG1 VAL 12 7.197 17.718 -0.828 84 1HG2 VAL 12 1HG2 VAL 12 9.981 16.232 1.149 85 2HG2 VAL 12 2HG2 VAL 12 8.912 16.894 2.398 86 3HG2 VAL 12 3HG2 VAL 12 8.977 15.141 2.119 87 HA PRO 13 HA PRO 13 4.685 17.342 4.642 88 1HB PRO 13 2HB PRO 13 4.010 15.327 6.358 89 2HB PRO 13 3HB PRO 13 3.018 15.751 4.931 90 1HG PRO 13 2HG PRO 13 5.082 13.543 5.178 91 2HG PRO 13 3HG PRO 13 3.420 13.435 4.519 92 1HD PRO 13 2HD PRO 13 5.624 13.742 2.934 93 2HD PRO 13 3HD PRO 13 4.053 14.485 2.510 94 H ARG 14 H ARG 14 5.456 17.792 6.759 95 HA ARG 14 HA ARG 14 8.275 17.111 7.355 96 1HB ARG 14 2HB ARG 14 6.182 18.904 8.674 97 2HB ARG 14 3HB ARG 14 7.747 18.617 9.413 98 1HG ARG 14 2HG ARG 14 7.353 19.868 6.665 99 2HG ARG 14 3HG ARG 14 7.676 20.729 8.174 100 1HD ARG 14 2HD ARG 14 9.805 19.330 8.394 101 2HD ARG 14 3HD ARG 14 9.549 18.801 6.732 102 HE ARG 14 HE ARG 14 10.452 21.423 7.684 103 1HH1 ARG 14 1HH1 ARG 14 9.112 19.834 4.871 104 2HH1 ARG 14 2HH1 ARG 14 9.739 21.044 3.784 105 1HH2 ARG 14 1HH2 ARG 14 11.220 22.914 6.267 106 2HH2 ARG 14 2HH2 ARG 14 10.902 22.746 4.567 107 H GLY 15 H GLY 15 8.893 16.548 9.563 108 1HA GLY 15 2HA GLY 15 8.893 15.175 11.437 109 2HA GLY 15 1HA GLY 15 7.147 15.002 11.290 110 H SER 16 H SER 16 7.952 12.813 12.080 111 HA SER 16 HA SER 16 9.256 10.931 10.409 112 1HB SER 16 2HB SER 16 7.264 10.421 12.655 113 2HB SER 16 3HB SER 16 8.452 9.269 12.023 114 HG SER 16 HG SER 16 9.200 10.307 13.922 115 H GLN 17 H GLN 17 6.310 12.242 9.635 116 HA GLN 17 HA GLN 17 4.548 10.128 9.167 117 1HB GLN 17 2HB GLN 17 4.914 12.675 7.530 118 2HB GLN 17 3HB GLN 17 3.499 11.617 7.499 119 1HG GLN 17 2HG GLN 17 3.226 12.057 10.000 120 2HG GLN 17 3HG GLN 17 4.499 13.269 9.864 121 1HE2 GLN 17 1HE2 GLN 17 3.399 15.249 10.071 122 2HE2 GLN 17 2HE2 GLN 17 1.950 15.631 9.137 123 H GLU 18 H GLU 18 7.245 11.134 7.083 124 HA GLU 18 HA GLU 18 6.542 9.387 4.856 125 1HB GLU 18 2HB GLU 18 9.193 10.677 5.627 126 2HB GLU 18 3HB GLU 18 8.861 9.846 4.103 127 1HG GLU 18 2HG GLU 18 7.006 11.512 3.672 128 2HG GLU 18 3HG GLU 18 7.576 12.425 5.076 129 H ILE 19 H ILE 19 8.071 8.732 7.918 130 HA ILE 19 HA ILE 19 9.731 6.509 7.016 131 HB ILE 19 HB ILE 19 8.872 7.236 9.845 132 1HG1 ILE 19 2HG1 ILE 19 11.371 7.994 8.250 133 2HG1 ILE 19 3HG1 ILE 19 10.083 9.096 8.730 134 1HG2 ILE 19 1HG2 ILE 19 11.156 5.470 8.850 135 2HG2 ILE 19 2HG2 ILE 19 10.805 5.872 10.546 136 3HG2 ILE 19 3HG2 ILE 19 9.673 4.895 9.641 137 1HD1 ILE 19 1HD1 ILE 19 12.074 7.748 10.576 138 2HD1 ILE 19 2HD1 ILE 19 11.894 9.468 10.211 139 3HD1 ILE 19 3HD1 ILE 19 10.635 8.633 11.142 140 H GLU 20 H GLU 20 6.494 6.811 8.437 141 HA GLU 20 HA GLU 20 5.855 4.020 8.673 142 1HB GLU 20 2HB GLU 20 4.206 6.529 8.224 143 2HB GLU 20 3HB GLU 20 3.468 4.944 8.089 144 1HG GLU 20 2HG GLU 20 3.040 5.639 10.282 145 2HG GLU 20 3HG GLU 20 4.234 4.359 10.380 146 H ALA 21 H ALA 21 5.312 6.223 5.894 147 HA ALA 21 HA ALA 21 4.463 4.255 4.015 148 1HB ALA 21 1HB ALA 21 4.140 6.668 3.702 149 2HB ALA 21 2HB ALA 21 5.899 6.917 3.606 150 3HB ALA 21 3HB ALA 21 5.064 5.996 2.344 151 H LYS 22 H LYS 22 7.753 5.437 4.780 152 HA LYS 22 HA LYS 22 9.226 3.967 2.861 153 1HB LYS 22 2HB LYS 22 9.969 5.775 4.678 154 2HB LYS 22 3HB LYS 22 10.321 4.373 5.656 155 1HG LYS 22 2HG LYS 22 12.360 4.833 4.598 156 2HG LYS 22 3HG LYS 22 11.691 3.500 3.668 157 1HD LYS 22 2HD LYS 22 12.490 4.911 2.026 158 2HD LYS 22 3HD LYS 22 10.790 5.347 2.029 159 1HE LYS 22 2HE LYS 22 12.969 6.858 3.559 160 2HE LYS 22 3HE LYS 22 12.516 7.234 1.897 161 1HZ LYS 22 1HZ LYS 22 10.678 7.425 4.220 162 2HZ LYS 22 2HZ LYS 22 10.266 7.736 2.667 163 3HZ LYS 22 3HZ LYS 22 11.364 8.677 3.425 164 H GLU 23 H GLU 23 8.527 3.002 6.221 165 HA GLU 23 HA GLU 23 9.632 0.379 6.098 166 1HB GLU 23 2HB GLU 23 7.369 1.534 7.775 167 2HB GLU 23 3HB GLU 23 7.983 -0.100 7.993 168 1HG GLU 23 2HG GLU 23 9.703 2.404 8.234 169 2HG GLU 23 3HG GLU 23 8.933 1.581 9.584 170 H ALA 24 H ALA 24 6.282 1.429 5.336 171 HA ALA 24 HA ALA 24 5.299 -1.177 4.717 172 1HB ALA 24 1HB ALA 24 4.450 1.589 3.782 173 2HB ALA 24 2HB ALA 24 3.492 0.105 3.558 174 3HB ALA 24 3HB ALA 24 3.836 0.709 5.191 175 H CYS 25 H CYS 25 6.534 1.310 2.382 176 HA CYS 25 HA CYS 25 6.247 -0.490 0.148 177 1HB CYS 25 2HB CYS 25 7.236 1.222 -1.174 178 2HB CYS 25 3HB CYS 25 6.201 2.008 0.022 179 HG CYS 25 HG CYS 25 8.187 2.495 1.737 180 H ASP 26 H ASP 26 8.916 -0.053 2.393 181 HA ASP 26 HA ASP 26 10.810 -1.702 0.894 182 1HB ASP 26 2HB ASP 26 11.490 0.032 2.529 183 2HB ASP 26 3HB ASP 26 10.732 -0.894 3.826 184 H TRP 27 H TRP 27 8.476 -2.294 3.577 185 HA TRP 27 HA TRP 27 9.194 -5.031 3.985 186 1HB TRP 27 2HB TRP 27 7.940 -3.701 5.619 187 2HB TRP 27 3HB TRP 27 6.551 -3.637 4.528 188 HD1 TRP 27 HD1 TRP 27 8.445 -5.922 6.899 189 HE1 TRP 27 1HE TRP 27 7.159 -8.127 7.266 190 HE3 TRP 27 3HE TRP 27 4.716 -5.293 3.438 191 HZ2 TRP 27 2HZ TRP 27 4.956 -9.507 6.070 192 HZ3 TRP 27 3HZ TRP 27 3.058 -7.103 3.042 193 HH2 TRP 27 HH2 TRP 27 3.189 -9.212 4.314 194 H LEU 28 H LEU 28 6.609 -3.623 1.924 195 HA LEU 28 HA LEU 28 5.425 -6.048 1.089 196 1HB LEU 28 2HB LEU 28 5.700 -3.324 -0.201 197 2HB LEU 28 3HB LEU 28 4.811 -4.610 -1.015 198 HG LEU 28 HG LEU 28 4.126 -3.716 1.815 199 1HD1 LEU 28 1HD1 LEU 28 2.312 -2.387 0.812 200 2HD1 LEU 28 2HD1 LEU 28 2.935 -2.748 -0.814 201 3HD1 LEU 28 3HD1 LEU 28 3.904 -1.785 0.326 202 1HD2 LEU 28 1HD2 LEU 28 3.239 -5.938 1.076 203 2HD2 LEU 28 2HD2 LEU 28 2.483 -5.156 -0.316 204 3HD2 LEU 28 3HD2 LEU 28 1.955 -4.746 1.330 205 H ARG 29 H ARG 29 8.140 -4.372 -0.492 206 HA ARG 29 HA ARG 29 8.527 -6.415 -2.525 207 1HB ARG 29 2HB ARG 29 10.593 -5.297 -3.074 208 2HB ARG 29 3HB ARG 29 9.305 -4.111 -2.857 209 1HG ARG 29 2HG ARG 29 10.183 -3.602 -0.584 210 2HG ARG 29 3HG ARG 29 11.491 -4.773 -0.834 211 1HD ARG 29 2HD ARG 29 12.503 -2.751 -1.283 212 2HD ARG 29 3HD ARG 29 12.125 -3.382 -2.895 213 HE ARG 29 HE ARG 29 10.007 -1.676 -1.828 214 1HH1 ARG 29 1HH1 ARG 29 13.169 -1.425 -3.300 215 2HH1 ARG 29 2HH1 ARG 29 12.882 0.190 -3.887 216 1HH2 ARG 29 1HH2 ARG 29 9.678 0.358 -2.627 217 2HH2 ARG 29 2HH2 ARG 29 10.938 1.171 -3.513 218 H ALA 30 H ALA 30 9.972 -5.998 0.700 219 HA ALA 30 HA ALA 30 11.851 -8.166 0.456 220 1HB ALA 30 1HB ALA 30 10.619 -6.868 2.928 221 2HB ALA 30 2HB ALA 30 12.064 -7.898 2.898 222 3HB ALA 30 3HB ALA 30 12.085 -6.324 2.081 223 H ALA 31 H ALA 31 8.519 -8.009 1.680 224 HA ALA 31 HA ALA 31 8.204 -10.635 2.677 225 1HB ALA 31 1HB ALA 31 6.191 -8.742 1.368 226 2HB ALA 31 2HB ALA 31 5.791 -10.124 2.396 227 3HB ALA 31 3HB ALA 31 6.665 -8.748 3.077 228 H GLY 32 H GLY 32 7.642 -9.355 -0.594 229 1HA GLY 32 2HA GLY 32 8.441 -11.020 -2.392 230 2HA GLY 32 1HA GLY 32 7.271 -12.136 -1.684 231 H PHE 33 H PHE 33 6.071 -8.918 -1.648 232 HA PHE 33 HA PHE 33 4.666 -9.267 -4.262 233 1HB PHE 33 2HB PHE 33 3.398 -8.245 -1.711 234 2HB PHE 33 3HB PHE 33 2.636 -8.466 -3.286 235 HD1 PHE 33 1HD PHE 33 2.720 -10.950 -4.266 236 HD2 PHE 33 2HD PHE 33 3.056 -9.908 -0.091 237 HE1 PHE 33 1HE PHE 33 1.936 -13.219 -3.630 238 HE2 PHE 33 2HE PHE 33 2.250 -12.168 0.537 239 HZ PHE 33 HZ PHE 33 1.702 -13.833 -1.230 240 HA PRO 34 HA PRO 34 6.814 -5.094 -3.903 241 1HB PRO 34 2HB PRO 34 8.174 -5.157 -6.298 242 2HB PRO 34 3HB PRO 34 8.818 -5.840 -4.781 243 1HG PRO 34 2HG PRO 34 7.386 -7.306 -7.010 244 2HG PRO 34 3HG PRO 34 8.915 -7.755 -6.188 245 1HD PRO 34 2HD PRO 34 6.549 -8.860 -5.470 246 2HD PRO 34 3HD PRO 34 7.775 -8.435 -4.236 247 H GLN 35 H GLN 35 4.876 -6.706 -6.328 248 HA GLN 35 HA GLN 35 4.148 -4.630 -8.042 249 1HB GLN 35 2HB GLN 35 2.111 -5.876 -8.486 250 2HB GLN 35 3HB GLN 35 3.515 -6.933 -8.409 251 1HG GLN 35 2HG GLN 35 2.825 -7.614 -6.073 252 2HG GLN 35 3HG GLN 35 1.382 -6.612 -6.246 253 1HE2 GLN 35 1HE2 GLN 35 -0.454 -7.630 -7.099 254 2HE2 GLN 35 2HE2 GLN 35 -0.362 -9.154 -7.974 255 H TYR 36 H TYR 36 2.734 -5.277 -4.791 256 HA TYR 36 HA TYR 36 0.766 -3.194 -4.967 257 1HB TYR 36 2HB TYR 36 2.085 -4.436 -2.534 258 2HB TYR 36 3HB TYR 36 0.699 -3.353 -2.482 259 HD1 TYR 36 1HD TYR 36 -1.296 -4.099 -4.226 260 HD2 TYR 36 2HD TYR 36 1.563 -6.695 -2.313 261 HE1 TYR 36 1HE TYR 36 -2.834 -6.035 -4.548 262 HE2 TYR 36 2HE TYR 36 0.030 -8.634 -2.645 263 HH TYR 36 HH TYR 36 -1.980 -9.346 -3.482 264 H ALA 37 H ALA 37 4.074 -3.147 -3.545 265 HA ALA 37 HA ALA 37 4.095 -0.430 -2.731 266 1HB ALA 37 1HB ALA 37 5.791 -2.068 -2.054 267 2HB ALA 37 2HB ALA 37 6.404 -2.159 -3.720 268 3HB ALA 37 3HB ALA 37 6.546 -0.650 -2.798 269 H GLN 38 H GLN 38 5.015 -1.817 -5.916 270 HA GLN 38 HA GLN 38 5.744 0.657 -7.158 271 1HB GLN 38 2HB GLN 38 4.725 -1.979 -8.293 272 2HB GLN 38 3HB GLN 38 5.256 -0.642 -9.309 273 1HG GLN 38 2HG GLN 38 7.016 -2.016 -7.227 274 2HG GLN 38 3HG GLN 38 7.010 -2.379 -8.950 275 1HE2 GLN 38 1HE2 GLN 38 7.668 -0.565 -10.480 276 2HE2 GLN 38 2HE2 GLN 38 8.782 0.636 -9.833 277 H LEU 39 H LEU 39 2.543 -0.710 -6.626 278 HA LEU 39 HA LEU 39 1.142 1.082 -8.430 279 1HB LEU 39 2HB LEU 39 0.455 -1.111 -6.536 280 2HB LEU 39 3HB LEU 39 -0.746 0.158 -6.637 281 HG LEU 39 HG LEU 39 -0.842 -0.102 -9.094 282 1HD1 LEU 39 1HD1 LEU 39 0.104 -1.987 -10.244 283 2HD1 LEU 39 2HD1 LEU 39 0.861 -2.587 -8.761 284 3HD1 LEU 39 3HD1 LEU 39 1.425 -1.071 -9.503 285 1HD2 LEU 39 1HD2 LEU 39 -2.389 -1.333 -7.586 286 2HD2 LEU 39 2HD2 LEU 39 -1.260 -2.700 -7.551 287 3HD2 LEU 39 3HD2 LEU 39 -2.059 -2.238 -9.073 288 H TYR 40 H TYR 40 2.689 1.904 -5.545 289 HA TYR 40 HA TYR 40 0.792 3.754 -4.436 290 1HB TYR 40 2HB TYR 40 2.792 3.027 -3.184 291 2HB TYR 40 3HB TYR 40 3.826 3.804 -4.367 292 HD1 TYR 40 1HD TYR 40 0.669 5.044 -2.645 293 HD2 TYR 40 2HD TYR 40 4.929 5.510 -3.201 294 HE1 TYR 40 1HE TYR 40 0.613 7.158 -1.344 295 HE2 TYR 40 2HE TYR 40 4.868 7.603 -1.867 296 HH TYR 40 HH TYR 40 3.570 9.076 -0.709 297 H GLU 41 H GLU 41 3.429 4.316 -6.806 298 HA GLU 41 HA GLU 41 2.939 7.139 -7.062 299 1HB GLU 41 2HB GLU 41 4.309 5.154 -8.919 300 2HB GLU 41 3HB GLU 41 4.325 6.900 -9.164 301 1HG GLU 41 2HG GLU 41 5.425 5.521 -6.673 302 2HG GLU 41 3HG GLU 41 6.385 5.966 -8.072 303 H ASP 42 H ASP 42 1.499 4.398 -8.701 304 HA ASP 42 HA ASP 42 -0.074 5.996 -10.609 305 1HB ASP 42 2HB ASP 42 0.004 3.070 -9.803 306 2HB ASP 42 3HB ASP 42 -1.251 3.702 -10.855 307 H SER 43 H SER 43 -0.316 5.578 -7.297 308 HA SER 43 HA SER 43 -1.873 5.626 -5.698 309 1HB SER 43 2HB SER 43 -2.094 7.907 -6.784 310 2HB SER 43 3HB SER 43 -3.590 7.306 -7.529 311 HG SER 43 HG SER 43 -4.140 8.183 -5.551 312 H GLN 44 H GLN 44 -1.943 3.277 -6.679 313 HA GLN 44 HA GLN 44 -4.826 2.472 -6.928 314 1HB GLN 44 2HB GLN 44 -2.340 1.291 -8.191 315 2HB GLN 44 3HB GLN 44 -3.925 0.496 -8.208 316 1HG GLN 44 2HG GLN 44 -4.894 2.470 -9.366 317 2HG GLN 44 3HG GLN 44 -3.287 3.187 -9.464 318 1HE2 GLN 44 1HE2 GLN 44 -5.409 1.793 -11.477 319 2HE2 GLN 44 2HE2 GLN 44 -4.286 0.868 -12.467 320 H PHE 45 H PHE 45 -2.859 2.705 -4.526 321 HA PHE 45 HA PHE 45 -2.722 0.106 -3.307 322 1HB PHE 45 2HB PHE 45 -2.289 2.906 -2.486 323 2HB PHE 45 3HB PHE 45 -2.984 1.925 -1.219 324 HD1 PHE 45 2HD PHE 45 -0.175 1.910 -3.697 325 HD2 PHE 45 1HD PHE 45 -1.665 0.490 0.069 326 HE1 PHE 45 2HE PHE 45 2.079 1.016 -3.135 327 HE2 PHE 45 1HE PHE 45 0.612 -0.400 0.631 328 HZ PHE 45 HZ PHE 45 2.472 -0.119 -0.971 329 HA PRO 46 HA PRO 46 -6.836 0.874 -1.100 330 1HB PRO 46 2HB PRO 46 -8.532 2.941 -1.643 331 2HB PRO 46 3HB PRO 46 -7.099 3.109 -0.600 332 1HG PRO 46 2HG PRO 46 -7.326 3.810 -3.539 333 2HG PRO 46 3HG PRO 46 -6.668 4.811 -2.205 334 1HD PRO 46 2HD PRO 46 -5.075 3.336 -3.839 335 2HD PRO 46 3HD PRO 46 -4.691 3.555 -2.105 336 H ILE 47 H ILE 47 -6.848 -0.963 -2.600 337 HA ILE 47 HA ILE 47 -9.297 -0.981 -4.332 338 HB ILE 47 HB ILE 47 -8.216 -2.719 -5.716 339 1HG1 ILE 47 2HG1 ILE 47 -5.523 -1.750 -4.688 340 2HG1 ILE 47 3HG1 ILE 47 -6.272 -3.172 -4.001 341 1HG2 ILE 47 1HG2 ILE 47 -6.885 0.019 -5.748 342 2HG2 ILE 47 2HG2 ILE 47 -7.036 -1.092 -7.121 343 3HG2 ILE 47 3HG2 ILE 47 -8.483 -0.366 -6.415 344 1HD1 ILE 47 1HD1 ILE 47 -4.706 -3.821 -5.740 345 2HD1 ILE 47 2HD1 ILE 47 -6.359 -4.258 -6.212 346 3HD1 ILE 47 3HD1 ILE 47 -5.567 -2.837 -6.938 347 H ASN 48 H ASN 48 -10.326 -1.452 -2.343 348 HA ASN 48 HA ASN 48 -11.397 -2.825 -0.847 349 1HB ASN 48 2HB ASN 48 -11.120 -4.822 -3.133 350 2HB ASN 48 3HB ASN 48 -12.309 -4.879 -1.841 351 1HD2 ASN 48 1HD2 ASN 48 -14.278 -3.821 -2.181 352 2HD2 ASN 48 2HD2 ASN 48 -14.538 -2.781 -3.578 353 H ILE 49 H ILE 49 -9.263 -2.680 0.396 354 HA ILE 49 HA ILE 49 -7.337 -4.688 0.559 355 HB ILE 49 HB ILE 49 -8.410 -2.930 2.784 356 1HG1 ILE 49 2HG1 ILE 49 -5.946 -2.766 0.978 357 2HG1 ILE 49 3HG1 ILE 49 -7.396 -1.784 0.808 358 1HG2 ILE 49 1HG2 ILE 49 -5.882 -4.651 2.747 359 2HG2 ILE 49 2HG2 ILE 49 -6.311 -3.471 4.009 360 3HG2 ILE 49 3HG2 ILE 49 -7.293 -4.901 3.798 361 1HD1 ILE 49 1HD1 ILE 49 -5.443 -1.661 3.139 362 2HD1 ILE 49 2HD1 ILE 49 -5.659 -0.486 1.846 363 3HD1 ILE 49 3HD1 ILE 49 -6.968 -0.750 3.024 364 H VAL 50 H VAL 50 -10.414 -4.642 2.344 365 HA VAL 50 HA VAL 50 -10.104 -7.108 3.712 366 HB VAL 50 HB VAL 50 -11.753 -5.407 4.280 367 1HG1 VAL 50 1HG1 VAL 50 -13.431 -6.443 1.958 368 2HG1 VAL 50 2HG1 VAL 50 -13.908 -5.254 3.181 369 3HG1 VAL 50 3HG1 VAL 50 -12.634 -4.853 2.023 370 1HG2 VAL 50 1HG2 VAL 50 -11.940 -7.721 5.147 371 2HG2 VAL 50 2HG2 VAL 50 -13.502 -6.893 5.018 372 3HG2 VAL 50 3HG2 VAL 50 -13.050 -8.116 3.816 373 H ALA 51 H ALA 51 -11.093 -6.569 0.350 374 HA ALA 51 HA ALA 51 -11.998 -9.322 -0.063 375 1HB ALA 51 1HB ALA 51 -11.294 -7.177 -2.110 376 2HB ALA 51 2HB ALA 51 -12.177 -8.683 -2.397 377 3HB ALA 51 3HB ALA 51 -12.904 -7.421 -1.387 378 H VAL 52 H VAL 52 -9.072 -7.429 -1.055 379 HA VAL 52 HA VAL 52 -7.800 -9.725 -2.225 380 HB VAL 52 HB VAL 52 -5.718 -8.466 -2.301 381 1HG1 VAL 52 1HG1 VAL 52 -8.133 -6.803 -3.134 382 2HG1 VAL 52 2HG1 VAL 52 -6.494 -6.711 -3.807 383 3HG1 VAL 52 3HG1 VAL 52 -7.458 -8.178 -4.039 384 1HG2 VAL 52 1HG2 VAL 52 -7.211 -6.233 -0.897 385 2HG2 VAL 52 2HG2 VAL 52 -5.876 -7.168 -0.182 386 3HG2 VAL 52 3HG2 VAL 52 -5.582 -6.138 -1.589 387 H LYS 53 H LYS 53 -7.639 -8.534 1.138 388 HA LYS 53 HA LYS 53 -5.616 -10.480 1.868 389 1HB LYS 53 2HB LYS 53 -5.880 -9.838 4.092 390 2HB LYS 53 3HB LYS 53 -6.117 -8.368 3.152 391 1HG LYS 53 2HG LYS 53 -8.582 -8.651 3.397 392 2HG LYS 53 3HG LYS 53 -8.333 -10.094 4.371 393 1HD LYS 53 2HD LYS 53 -7.332 -7.320 5.133 394 2HD LYS 53 3HD LYS 53 -8.827 -8.074 5.715 395 1HE LYS 53 2HE LYS 53 -7.456 -10.005 6.590 396 2HE LYS 53 3HE LYS 53 -5.991 -9.107 6.175 397 1HZ LYS 53 1HZ LYS 53 -8.078 -8.158 8.070 398 2HZ LYS 53 2HZ LYS 53 -6.687 -7.364 7.716 399 3HZ LYS 53 3HZ LYS 53 -6.639 -8.789 8.505 400 H ASN 54 H ASN 54 -8.931 -10.884 1.221 401 HA ASN 54 HA ASN 54 -9.186 -13.397 2.779 402 1HB ASN 54 2HB ASN 54 -11.152 -11.650 1.250 403 2HB ASN 54 3HB ASN 54 -11.570 -13.264 1.791 404 1HD2 ASN 54 1HD2 ASN 54 -13.227 -11.574 2.785 405 2HD2 ASN 54 2HD2 ASN 54 -12.833 -11.192 4.458 406 H ASP 55 H ASP 55 -7.696 -12.818 -0.069 407 HA ASP 55 HA ASP 55 -8.774 -14.990 -1.691 408 1HB ASP 55 2HB ASP 55 -6.226 -13.348 -1.872 409 2HB ASP 55 3HB ASP 55 -6.631 -14.632 -3.008 410 H HIS 56 H HIS 56 -8.677 -16.243 0.502 411 HA HIS 56 HA HIS 56 -6.343 -17.756 1.204 412 1HB HIS 56 2HB HIS 56 -8.334 -17.369 2.628 413 2HB HIS 56 3HB HIS 56 -9.314 -18.338 1.532 414 HD1 HIS 56 1HD HIS 56 -5.852 -19.641 2.646 415 HD2 HIS 56 2HD HIS 56 -9.974 -20.110 3.380 416 HE1 HIS 56 1HE HIS 56 -6.082 -21.707 4.124 417 H ASP 57 H ASP 57 -8.188 -17.920 -1.636 418 HA ASP 57 HA ASP 57 -7.841 -20.665 -2.421 419 1HB ASP 57 2HB ASP 57 -9.303 -18.968 -3.540 420 2HB ASP 57 3HB ASP 57 -7.856 -18.139 -4.119 421 H PHE 58 H PHE 58 -5.558 -18.039 -2.074 422 HA PHE 58 HA PHE 58 -3.347 -19.680 -3.250 423 1HB PHE 58 2HB PHE 58 -3.567 -16.721 -2.601 424 2HB PHE 58 3HB PHE 58 -2.042 -17.518 -2.937 425 HD1 PHE 58 2HD PHE 58 -1.547 -18.512 -5.159 426 HD2 PHE 58 1HD PHE 58 -5.120 -16.204 -4.435 427 HE1 PHE 58 2HE PHE 58 -1.853 -18.222 -7.605 428 HE2 PHE 58 1HE PHE 58 -5.423 -15.913 -6.887 429 HZ PHE 58 HZ PHE 58 -3.792 -16.923 -8.472 430 H LEU 59 H LEU 59 -1.430 -19.887 -2.062 431 HA LEU 59 HA LEU 59 -1.763 -20.352 0.811 432 1HB LEU 59 2HB LEU 59 -0.425 -21.707 -1.158 433 2HB LEU 59 3HB LEU 59 0.878 -20.716 -0.543 434 HG LEU 59 HG LEU 59 0.133 -21.607 1.825 435 1HD1 LEU 59 1HD1 LEU 59 -1.119 -23.729 0.027 436 2HD1 LEU 59 2HD1 LEU 59 -2.028 -22.587 1.038 437 3HD1 LEU 59 3HD1 LEU 59 -0.973 -23.789 1.797 438 1HD2 LEU 59 1HD2 LEU 59 1.455 -23.668 1.550 439 2HD2 LEU 59 2HD2 LEU 59 2.221 -22.285 0.754 440 3HD2 LEU 59 3HD2 LEU 59 1.361 -23.498 -0.220 441 H GLU 60 H GLU 60 0.781 -19.840 1.795 442 HA GLU 60 HA GLU 60 1.865 -18.295 3.034 443 1HB GLU 60 2HB GLU 60 1.739 -16.599 0.509 444 2HB GLU 60 3HB GLU 60 2.719 -16.264 1.922 445 1HG GLU 60 2HG GLU 60 4.237 -17.230 0.529 446 2HG GLU 60 3HG GLU 60 3.825 -18.517 1.651 447 H LYS 61 H LYS 61 -1.114 -18.211 3.191 448 HA LYS 61 HA LYS 61 -2.082 -15.595 3.554 449 1HB LYS 61 2HB LYS 61 -3.918 -16.500 4.709 450 2HB LYS 61 3HB LYS 61 -3.448 -17.687 3.493 451 1HG LYS 61 2HG LYS 61 -2.208 -18.958 5.300 452 2HG LYS 61 3HG LYS 61 -2.830 -17.815 6.490 453 1HD LYS 61 2HD LYS 61 -4.443 -19.704 4.749 454 2HD LYS 61 3HD LYS 61 -4.157 -19.870 6.474 455 1HE LYS 61 2HE LYS 61 -5.758 -17.625 5.152 456 2HE LYS 61 3HE LYS 61 -6.442 -19.052 5.926 457 1HZ LYS 61 1HZ LYS 61 -4.837 -16.976 7.325 458 2HZ LYS 61 2HZ LYS 61 -5.443 -18.323 8.030 459 3HZ LYS 61 3HZ LYS 61 -6.449 -17.182 7.447 460 H ASP 62 H ASP 62 0.012 -17.291 5.721 461 HA ASP 62 HA ASP 62 -0.270 -15.748 8.117 462 1HB ASP 62 2HB ASP 62 1.008 -17.850 7.928 463 2HB ASP 62 3HB ASP 62 2.175 -17.066 6.864 464 H LEU 63 H LEU 63 1.448 -15.080 5.099 465 HA LEU 63 HA LEU 63 2.773 -12.656 6.051 466 1HB LEU 63 2HB LEU 63 3.552 -14.427 4.306 467 2HB LEU 63 3HB LEU 63 2.411 -13.666 3.201 468 HG LEU 63 HG LEU 63 3.690 -11.530 3.381 469 1HD1 LEU 63 1HD1 LEU 63 5.964 -11.595 4.401 470 2HD1 LEU 63 2HD1 LEU 63 5.619 -13.210 5.056 471 3HD1 LEU 63 3HD1 LEU 63 4.709 -11.796 5.625 472 1HD2 LEU 63 1HD2 LEU 63 5.327 -14.014 2.687 473 2HD2 LEU 63 2HD2 LEU 63 5.651 -12.367 2.125 474 3HD2 LEU 63 3HD2 LEU 63 4.174 -13.191 1.616 475 H VAL 64 H VAL 64 -0.318 -13.428 4.755 476 HA VAL 64 HA VAL 64 -0.872 -10.825 3.535 477 HB VAL 64 HB VAL 64 -2.669 -13.210 4.085 478 1HG1 VAL 64 1HG1 VAL 64 -4.156 -12.207 2.366 479 2HG1 VAL 64 2HG1 VAL 64 -4.099 -11.287 3.867 480 3HG1 VAL 64 3HG1 VAL 64 -3.195 -10.710 2.442 481 1HG2 VAL 64 1HG2 VAL 64 -0.850 -13.659 2.436 482 2HG2 VAL 64 2HG2 VAL 64 -2.429 -13.603 1.654 483 3HG2 VAL 64 3HG2 VAL 64 -1.330 -12.212 1.527 484 H GLU 65 H GLU 65 -1.140 -12.092 6.761 485 HA GLU 65 HA GLU 65 -3.004 -10.163 7.825 486 1HB GLU 65 2HB GLU 65 -0.902 -11.946 9.041 487 2HB GLU 65 3HB GLU 65 -1.573 -10.612 9.990 488 1HG GLU 65 2HG GLU 65 -3.865 -11.442 9.552 489 2HG GLU 65 3HG GLU 65 -3.195 -12.812 8.659 490 HA PRO 66 HA PRO 66 0.553 -7.182 8.887 491 1HB PRO 66 2HB PRO 66 3.058 -7.501 7.744 492 2HB PRO 66 3HB PRO 66 2.578 -8.117 9.354 493 1HG PRO 66 2HG PRO 66 2.623 -9.613 6.727 494 2HG PRO 66 3HG PRO 66 3.255 -10.148 8.314 495 1HD PRO 66 2HD PRO 66 0.844 -10.958 7.395 496 2HD PRO 66 3HD PRO 66 1.071 -10.564 9.122 497 H LEU 67 H LEU 67 0.421 -8.575 5.643 498 HA LEU 67 HA LEU 67 1.029 -6.314 4.072 499 1HB LEU 67 2HB LEU 67 0.796 -8.622 3.270 500 2HB LEU 67 3HB LEU 67 -0.935 -8.567 3.544 501 HG LEU 67 HG LEU 67 -0.077 -6.332 1.827 502 1HD1 LEU 67 1HD1 LEU 67 1.691 -7.915 1.144 503 2HD1 LEU 67 2HD1 LEU 67 0.505 -7.655 -0.142 504 3HD1 LEU 67 3HD1 LEU 67 0.460 -9.154 0.813 505 1HD2 LEU 67 1HD2 LEU 67 -2.414 -7.133 2.033 506 2HD2 LEU 67 2HD2 LEU 67 -1.935 -8.711 1.370 507 3HD2 LEU 67 3HD2 LEU 67 -1.834 -7.259 0.359 508 H CYS 68 H CYS 68 -2.206 -7.164 5.500 509 HA CYS 68 HA CYS 68 -3.519 -4.990 4.174 510 1HB CYS 68 2HB CYS 68 -5.417 -5.438 5.475 511 2HB CYS 68 3HB CYS 68 -4.643 -7.002 5.186 512 HG CYS 68 HG CYS 68 -4.509 -5.043 7.890 513 H ARG 69 H ARG 69 -1.744 -5.041 7.227 514 HA ARG 69 HA ARG 69 -2.390 -2.329 8.063 515 1HB ARG 69 2HB ARG 69 0.092 -4.010 8.646 516 2HB ARG 69 3HB ARG 69 -0.237 -2.415 9.318 517 1HG ARG 69 2HG ARG 69 -2.386 -3.314 10.288 518 2HG ARG 69 3HG ARG 69 -1.881 -4.938 9.770 519 1HD ARG 69 2HD ARG 69 0.192 -4.715 11.122 520 2HD ARG 69 3HD ARG 69 -0.299 -3.077 11.597 521 HE ARG 69 HE ARG 69 -2.309 -5.071 12.265 522 1HH1 ARG 69 1HH1 ARG 69 0.651 -3.672 13.485 523 2HH1 ARG 69 2HH1 ARG 69 0.277 -4.075 15.140 524 1HH2 ARG 69 1HH2 ARG 69 -2.734 -5.573 14.382 525 2HH2 ARG 69 2HH2 ARG 69 -1.598 -5.135 15.624 526 H ARG 70 H ARG 70 0.407 -3.599 6.239 527 HA ARG 70 HA ARG 70 1.542 -1.036 5.609 528 1HB ARG 70 2HB ARG 70 1.754 -3.594 3.961 529 2HB ARG 70 3HB ARG 70 2.779 -2.176 3.821 530 1HG ARG 70 2HG ARG 70 2.743 -4.253 6.004 531 2HG ARG 70 3HG ARG 70 4.068 -3.680 4.999 532 1HD ARG 70 2HD ARG 70 3.805 -1.425 6.252 533 2HD ARG 70 3HD ARG 70 2.816 -2.334 7.404 534 HE ARG 70 HE ARG 70 5.210 -3.796 7.031 535 1HH1 ARG 70 1HH1 ARG 70 4.331 -0.731 8.451 536 2HH1 ARG 70 2HH1 ARG 70 5.712 -0.721 9.514 537 1HH2 ARG 70 1HH2 ARG 70 6.963 -3.716 8.366 538 2HH2 ARG 70 2HH2 ARG 70 7.180 -2.370 9.440 539 H LEU 71 H LEU 71 -0.903 -2.868 3.790 540 HA LEU 71 HA LEU 71 -1.181 -0.982 1.647 541 1HB LEU 71 2HB LEU 71 -3.202 -2.870 2.887 542 2HB LEU 71 3HB LEU 71 -3.527 -1.873 1.473 543 HG LEU 71 HG LEU 71 -1.407 -4.055 1.601 544 1HD1 LEU 71 1HD1 LEU 71 -3.725 -4.905 1.603 545 2HD1 LEU 71 2HD1 LEU 71 -2.925 -5.234 0.058 546 3HD1 LEU 71 3HD1 LEU 71 -4.094 -3.911 0.171 547 1HD2 LEU 71 1HD2 LEU 71 -1.345 -3.759 -0.882 548 2HD2 LEU 71 2HD2 LEU 71 -0.668 -2.402 0.008 549 3HD2 LEU 71 3HD2 LEU 71 -2.300 -2.271 -0.698 550 H ASN 72 H ASN 72 -2.985 -1.124 4.769 551 HA ASN 72 HA ASN 72 -4.401 1.315 4.319 552 1HB ASN 72 2HB ASN 72 -4.993 -0.479 5.979 553 2HB ASN 72 3HB ASN 72 -3.652 0.061 6.991 554 1HD2 ASN 72 1HD2 ASN 72 -4.231 1.601 8.549 555 2HD2 ASN 72 2HD2 ASN 72 -5.647 2.633 8.385 556 H THR 73 H THR 73 -1.094 0.826 5.519 557 HA THR 73 HA THR 73 -0.613 3.382 6.612 558 HB THR 73 HB THR 73 1.418 1.790 5.000 559 HG1 THR 73 1HG THR 73 0.642 1.576 7.724 560 1HG2 THR 73 1HG2 THR 73 1.641 3.786 7.283 561 2HG2 THR 73 2HG2 THR 73 2.274 3.970 5.629 562 3HG2 THR 73 3HG2 THR 73 2.971 2.755 6.714 563 H LEU 74 H LEU 74 -0.011 2.391 3.181 564 HA LEU 74 HA LEU 74 0.641 5.107 2.373 565 1HB LEU 74 2HB LEU 74 -0.022 2.593 0.822 566 2HB LEU 74 3HB LEU 74 0.250 4.123 0.023 567 HG LEU 74 HG LEU 74 2.225 2.878 -0.178 568 1HD1 LEU 74 1HD1 LEU 74 2.527 5.303 0.311 569 2HD1 LEU 74 2HD1 LEU 74 3.913 4.304 0.766 570 3HD1 LEU 74 3HD1 LEU 74 2.803 4.902 2.017 571 1HD2 LEU 74 1HD2 LEU 74 1.926 1.337 1.753 572 2HD2 LEU 74 2HD2 LEU 74 2.453 2.640 2.839 573 3HD2 LEU 74 3HD2 LEU 74 3.559 2.001 1.603 574 H ASN 75 H ASN 75 -2.443 3.430 2.613 575 HA ASN 75 HA ASN 75 -4.023 5.045 0.925 576 1HB ASN 75 2HB ASN 75 -4.706 3.730 3.580 577 2HB ASN 75 3HB ASN 75 -5.871 4.647 2.650 578 1HD2 ASN 75 1HD2 ASN 75 -6.837 2.355 2.981 579 2HD2 ASN 75 2HD2 ASN 75 -6.579 1.321 1.580 580 H LYS 76 H LYS 76 -2.690 5.928 4.076 581 HA LYS 76 HA LYS 76 -4.133 8.279 4.677 582 1HB LYS 76 2HB LYS 76 -2.339 7.174 6.079 583 2HB LYS 76 3HB LYS 76 -1.126 7.867 4.996 584 1HG LYS 76 2HG LYS 76 -2.171 10.171 5.564 585 2HG LYS 76 3HG LYS 76 -3.077 9.323 6.830 586 1HD LYS 76 2HD LYS 76 -0.885 8.569 7.812 587 2HD LYS 76 3HD LYS 76 -0.042 9.473 6.532 588 1HE LYS 76 2HE LYS 76 -1.315 11.545 7.298 589 2HE LYS 76 3HE LYS 76 -1.880 10.610 8.688 590 1HZ LYS 76 1HZ LYS 76 0.942 11.235 8.016 591 2HZ LYS 76 2HZ LYS 76 0.497 10.276 9.276 592 3HZ LYS 76 3HZ LYS 76 0.095 11.865 9.248 593 H CYS 77 H CYS 77 -1.251 8.004 2.619 594 HA CYS 77 HA CYS 77 -1.455 10.811 1.716 595 1HB CYS 77 2HB CYS 77 0.513 8.573 1.073 596 2HB CYS 77 3HB CYS 77 0.620 10.227 0.447 597 HG CYS 77 HG CYS 77 0.476 9.304 3.639 598 H ALA 78 H ALA 78 -2.026 7.559 0.310 599 HA ALA 78 HA ALA 78 -2.447 8.478 -2.375 600 1HB ALA 78 1HB ALA 78 -3.302 6.220 -2.754 601 2HB ALA 78 2HB ALA 78 -1.847 6.156 -1.742 602 3HB ALA 78 3HB ALA 78 -3.455 5.949 -1.009 603 H SER 79 H SER 79 -4.684 8.304 0.372 604 HA SER 79 HA SER 79 -7.129 8.669 -1.084 605 1HB SER 79 2HB SER 79 -6.989 7.960 1.289 606 2HB SER 79 3HB SER 79 -6.412 9.578 1.734 607 HG SER 79 HG SER 79 -8.935 8.898 0.576 608 H MET 80 H MET 80 -4.728 10.981 0.120 609 HA MET 80 HA MET 80 -6.180 13.388 -0.680 610 1HB MET 80 2HB MET 80 -4.482 13.226 1.179 611 2HB MET 80 3HB MET 80 -3.220 13.022 -0.041 612 1HG MET 80 2HG MET 80 -3.727 15.238 -0.964 613 2HG MET 80 3HG MET 80 -5.096 15.411 0.145 614 1HE MET 80 1HE MET 80 -2.868 17.639 -0.215 615 2HE MET 80 2HE MET 80 -4.250 17.770 0.900 616 3HE MET 80 3HE MET 80 -2.605 18.102 1.482 617 H LYS 81 H LYS 81 -5.752 14.696 -2.479 618 HA LYS 81 HA LYS 81 -5.035 13.402 -4.952 619 1HB LYS 81 2HB LYS 81 -5.442 15.519 -6.014 620 2HB LYS 81 3HB LYS 81 -6.714 15.170 -4.847 621 1HG LYS 81 2HG LYS 81 -5.638 16.753 -3.225 622 2HG LYS 81 3HG LYS 81 -4.396 17.121 -4.443 623 1HD LYS 81 2HD LYS 81 -6.158 17.922 -5.998 624 2HD LYS 81 3HD LYS 81 -7.394 17.570 -4.769 625 1HE LYS 81 2HE LYS 81 -6.272 19.161 -3.211 626 2HE LYS 81 3HE LYS 81 -5.064 19.516 -4.452 627 1HZ LYS 81 1HZ LYS 81 -6.832 21.177 -4.446 628 2HZ LYS 81 2HZ LYS 81 -7.977 20.047 -4.712 629 3HZ LYS 81 3HZ LYS 81 -6.863 20.368 -5.862 Start of MODEL 6 1 1H MET 1 1H MET 1 24.050 -27.734 -1.940 2 2H MET 1 2H MET 1 23.765 -28.922 -3.061 3 3H MET 1 3H MET 1 24.719 -29.239 -1.739 4 HA MET 1 HA MET 1 21.801 -28.953 -1.905 5 1HB MET 1 2HB MET 1 22.794 -31.205 -2.042 6 2HB MET 1 3HB MET 1 23.596 -30.970 -0.488 7 1HG MET 1 2HG MET 1 21.363 -30.733 0.600 8 2HG MET 1 3HG MET 1 20.582 -31.027 -0.954 9 1HE MET 1 1HE MET 1 21.772 -33.382 -2.376 10 2HE MET 1 2HE MET 1 21.086 -34.807 -1.565 11 3HE MET 1 3HE MET 1 20.057 -33.393 -1.886 12 H HIS 2 H HIS 2 21.459 -26.952 -0.967 13 HA HIS 2 HA HIS 2 21.439 -26.933 1.967 14 1HB HIS 2 2HB HIS 2 22.732 -24.732 0.292 15 2HB HIS 2 3HB HIS 2 22.242 -24.529 1.968 16 HD1 HIS 2 1HD HIS 2 23.528 -26.427 3.731 17 HD2 HIS 2 2HD HIS 2 25.226 -25.438 -0.004 18 HE1 HIS 2 1HE HIS 2 25.980 -27.091 3.864 19 H HIS 3 H HIS 3 19.997 -25.242 2.791 20 HA HIS 3 HA HIS 3 18.124 -23.934 0.907 21 1HB HIS 3 2HB HIS 3 17.303 -25.814 3.164 22 2HB HIS 3 3HB HIS 3 16.212 -24.651 2.423 23 HD1 HIS 3 1HD HIS 3 17.652 -28.094 1.789 24 HD2 HIS 3 2HD HIS 3 15.520 -25.041 -0.195 25 HE1 HIS 3 1HE HIS 3 16.680 -29.154 -0.317 26 H HIS 4 H HIS 4 16.961 -22.177 1.857 27 HA HIS 4 HA HIS 4 17.841 -21.147 4.502 28 1HB HIS 4 2HB HIS 4 17.942 -19.483 1.954 29 2HB HIS 4 3HB HIS 4 18.429 -18.986 3.570 30 HD1 HIS 4 1HD HIS 4 19.825 -20.505 0.452 31 HD2 HIS 4 2HD HIS 4 20.736 -20.312 4.567 32 HE1 HIS 4 1HE HIS 4 22.269 -21.192 0.674 33 H HIS 5 H HIS 5 16.334 -19.798 5.493 34 HA HIS 5 HA HIS 5 13.935 -18.852 4.045 35 1HB HIS 5 2HB HIS 5 13.864 -20.711 6.459 36 2HB HIS 5 3HB HIS 5 12.506 -19.698 5.984 37 HD1 HIS 5 1HD HIS 5 11.294 -20.312 3.591 38 HD2 HIS 5 2HD HIS 5 14.193 -22.986 5.093 39 HE1 HIS 5 1HE HIS 5 10.993 -22.485 2.302 40 H HIS 6 H HIS 6 12.900 -17.120 5.016 41 HA HIS 6 HA HIS 6 13.823 -15.979 7.577 42 1HB HIS 6 2HB HIS 6 13.980 -14.527 4.897 43 2HB HIS 6 3HB HIS 6 14.023 -13.708 6.454 44 HD1 HIS 6 1HD HIS 6 16.357 -15.286 4.023 45 HD2 HIS 6 2HD HIS 6 16.150 -14.445 8.152 46 HE1 HIS 6 1HE HIS 6 18.749 -15.413 4.901 47 H HIS 7 H HIS 7 12.412 -14.217 8.309 48 HA HIS 7 HA HIS 7 9.862 -13.721 6.978 49 1HB HIS 7 2HB HIS 7 8.466 -14.455 8.843 50 2HB HIS 7 3HB HIS 7 9.367 -15.812 8.190 51 HD1 HIS 7 1HD HIS 7 8.998 -13.775 11.398 52 HD2 HIS 7 2HD HIS 7 11.367 -16.852 9.749 53 HE1 HIS 7 1HE HIS 7 10.309 -14.782 13.335 54 H SER 8 H SER 8 8.603 -12.057 8.097 55 HA SER 8 HA SER 8 9.988 -10.353 10.107 56 1HB SER 8 2HB SER 8 9.090 -9.367 7.373 57 2HB SER 8 3HB SER 8 9.527 -8.324 8.739 58 HG SER 8 HG SER 8 11.288 -8.638 7.319 59 H SER 9 H SER 9 8.435 -10.700 11.633 60 HA SER 9 HA SER 9 5.570 -10.543 11.157 61 1HB SER 9 2HB SER 9 6.560 -11.891 12.977 62 2HB SER 9 3HB SER 9 7.138 -10.415 13.762 63 HG SER 9 HG SER 9 4.459 -11.287 13.353 64 H GLY 10 H GLY 10 7.696 -8.400 13.090 65 1HA GLY 10 2HA GLY 10 7.602 -5.922 12.405 66 2HA GLY 10 1HA GLY 10 5.866 -6.069 12.663 67 H LEU 11 H LEU 11 7.145 -4.178 14.034 68 HA LEU 11 HA LEU 11 6.807 -4.974 16.844 69 1HB LEU 11 2HB LEU 11 9.310 -5.277 15.980 70 2HB LEU 11 3HB LEU 11 9.384 -3.542 16.110 71 HG LEU 11 HG LEU 11 10.322 -4.443 18.077 72 1HD1 LEU 11 1HD1 LEU 11 9.009 -3.608 19.897 73 2HD1 LEU 11 2HD1 LEU 11 7.508 -3.775 18.978 74 3HD1 LEU 11 3HD1 LEU 11 8.717 -2.547 18.506 75 1HD2 LEU 11 1HD2 LEU 11 7.830 -6.152 18.474 76 2HD2 LEU 11 2HD2 LEU 11 9.239 -6.066 19.551 77 3HD2 LEU 11 3HD2 LEU 11 9.415 -6.725 17.917 78 H VAL 12 H VAL 12 5.242 -3.565 17.326 79 HA VAL 12 HA VAL 12 3.903 -1.724 17.461 80 HB VAL 12 HB VAL 12 6.535 -0.325 17.996 81 1HG1 VAL 12 1HG1 VAL 12 4.758 1.375 17.657 82 2HG1 VAL 12 2HG1 VAL 12 3.667 0.469 18.731 83 3HG1 VAL 12 3HG1 VAL 12 5.142 1.229 19.367 84 1HG2 VAL 12 1HG2 VAL 12 5.997 -2.316 19.497 85 2HG2 VAL 12 2HG2 VAL 12 6.065 -0.742 20.341 86 3HG2 VAL 12 3HG2 VAL 12 4.468 -1.491 19.947 87 HA PRO 13 HA PRO 13 4.460 -0.294 13.117 88 1HB PRO 13 2HB PRO 13 2.013 -0.967 12.117 89 2HB PRO 13 3HB PRO 13 3.329 -2.157 12.353 90 1HG PRO 13 2HG PRO 13 1.006 -1.565 14.214 91 2HG PRO 13 3HG PRO 13 1.561 -3.161 13.616 92 1HD PRO 13 2HD PRO 13 2.316 -2.184 16.044 93 2HD PRO 13 3HD PRO 13 3.443 -3.144 15.039 94 H ARG 14 H ARG 14 2.342 0.664 15.651 95 HA ARG 14 HA ARG 14 1.122 2.935 14.205 96 1HB ARG 14 2HB ARG 14 0.159 1.433 16.208 97 2HB ARG 14 3HB ARG 14 1.044 2.566 17.212 98 1HG ARG 14 2HG ARG 14 -1.219 3.317 17.086 99 2HG ARG 14 3HG ARG 14 -0.277 4.447 16.131 100 1HD ARG 14 2HD ARG 14 -2.299 3.995 14.918 101 2HD ARG 14 3HD ARG 14 -0.999 3.211 14.043 102 HE ARG 14 HE ARG 14 -1.878 1.108 14.559 103 1HH1 ARG 14 1HH1 ARG 14 -3.683 3.466 16.409 104 2HH1 ARG 14 2HH1 ARG 14 -4.892 2.304 16.884 105 1HH2 ARG 14 1HH2 ARG 14 -3.433 -0.325 15.208 106 2HH2 ARG 14 2HH2 ARG 14 -4.744 0.216 16.215 107 H GLY 15 H GLY 15 1.290 5.147 15.130 108 1HA GLY 15 2HA GLY 15 2.349 6.869 16.349 109 2HA GLY 15 1HA GLY 15 3.747 5.841 16.635 110 H SER 16 H SER 16 5.186 5.430 14.757 111 HA SER 16 HA SER 16 5.932 7.910 13.475 112 1HB SER 16 2HB SER 16 7.882 6.491 12.700 113 2HB SER 16 3HB SER 16 7.638 6.610 14.444 114 HG SER 16 HG SER 16 8.052 4.453 13.765 115 H GLN 17 H GLN 17 3.581 7.497 12.366 116 HA GLN 17 HA GLN 17 3.232 5.790 10.222 117 1HB GLN 17 2HB GLN 17 1.348 7.141 9.585 118 2HB GLN 17 3HB GLN 17 1.455 7.011 11.339 119 1HG GLN 17 2HG GLN 17 2.491 9.313 11.405 120 2HG GLN 17 3HG GLN 17 2.248 9.436 9.658 121 1HE2 GLN 17 1HE2 GLN 17 -0.072 9.357 8.848 122 2HE2 GLN 17 2HE2 GLN 17 -1.306 9.933 9.968 123 H GLU 18 H GLU 18 5.013 8.825 10.031 124 HA GLU 18 HA GLU 18 5.085 8.909 7.097 125 1HB GLU 18 2HB GLU 18 6.788 10.314 9.195 126 2HB GLU 18 3HB GLU 18 6.862 10.610 7.453 127 1HG GLU 18 2HG GLU 18 4.433 11.240 7.487 128 2HG GLU 18 3HG GLU 18 4.441 11.078 9.246 129 H ILE 19 H ILE 19 7.161 7.510 9.606 130 HA ILE 19 HA ILE 19 9.295 6.775 7.698 131 HB ILE 19 HB ILE 19 8.994 6.095 10.655 132 1HG1 ILE 19 2HG1 ILE 19 11.119 7.731 10.621 133 2HG1 ILE 19 3HG1 ILE 19 10.361 8.367 9.172 134 1HG2 ILE 19 1HG2 ILE 19 10.402 4.446 9.491 135 2HG2 ILE 19 2HG2 ILE 19 11.341 5.752 8.733 136 3HG2 ILE 19 3HG2 ILE 19 11.401 5.489 10.490 137 1HD1 ILE 19 1HD1 ILE 19 9.147 8.245 11.974 138 2HD1 ILE 19 2HD1 ILE 19 9.807 9.679 11.174 139 3HD1 ILE 19 3HD1 ILE 19 8.328 8.937 10.557 140 H GLU 20 H GLU 20 6.579 5.247 9.389 141 HA GLU 20 HA GLU 20 6.835 2.563 8.520 142 1HB GLU 20 2HB GLU 20 4.496 4.390 9.056 143 2HB GLU 20 3HB GLU 20 4.189 2.823 8.339 144 1HG GLU 20 2HG GLU 20 5.719 3.192 10.937 145 2HG GLU 20 3HG GLU 20 3.983 2.922 10.827 146 H ALA 21 H ALA 21 5.931 5.407 6.559 147 HA ALA 21 HA ALA 21 4.876 3.911 4.389 148 1HB ALA 21 1HB ALA 21 5.139 5.978 3.093 149 2HB ALA 21 2HB ALA 21 4.517 6.340 4.714 150 3HB ALA 21 3HB ALA 21 6.227 6.643 4.325 151 H LYS 22 H LYS 22 8.217 4.773 5.153 152 HA LYS 22 HA LYS 22 9.409 3.832 2.642 153 1HB LYS 22 2HB LYS 22 10.584 4.397 5.407 154 2HB LYS 22 3HB LYS 22 11.518 3.716 4.084 155 1HG LYS 22 2HG LYS 22 11.993 5.997 4.052 156 2HG LYS 22 3HG LYS 22 10.945 5.696 2.667 157 1HD LYS 22 2HD LYS 22 9.024 6.694 3.908 158 2HD LYS 22 3HD LYS 22 10.043 6.857 5.345 159 1HE LYS 22 2HE LYS 22 9.940 9.006 4.324 160 2HE LYS 22 3HE LYS 22 11.565 8.373 4.046 161 1HZ LYS 22 1HZ LYS 22 10.628 9.361 2.031 162 2HZ LYS 22 2HZ LYS 22 9.350 8.348 2.055 163 3HZ LYS 22 3HZ LYS 22 10.854 7.767 1.781 164 H GLU 23 H GLU 23 9.089 2.433 5.887 165 HA GLU 23 HA GLU 23 10.082 -0.186 5.263 166 1HB GLU 23 2HB GLU 23 8.206 0.876 7.399 167 2HB GLU 23 3HB GLU 23 8.574 -0.839 7.287 168 1HG GLU 23 2HG GLU 23 10.650 1.369 7.612 169 2HG GLU 23 3HG GLU 23 9.999 0.392 8.925 170 H ALA 24 H ALA 24 6.712 1.070 5.045 171 HA ALA 24 HA ALA 24 5.487 -1.342 4.223 172 1HB ALA 24 1HB ALA 24 3.744 0.183 3.271 173 2HB ALA 24 2HB ALA 24 4.221 0.649 4.917 174 3HB ALA 24 3HB ALA 24 4.839 1.552 3.523 175 H CYS 25 H CYS 25 6.762 1.259 2.130 176 HA CYS 25 HA CYS 25 6.373 -0.006 -0.368 177 1HB CYS 25 2HB CYS 25 6.957 2.382 0.038 178 2HB CYS 25 3HB CYS 25 8.599 1.898 0.496 179 HG CYS 25 HG CYS 25 9.182 0.718 -1.794 180 H ASP 26 H ASP 26 9.304 -0.121 1.729 181 HA ASP 26 HA ASP 26 10.740 -1.914 0.007 182 1HB ASP 26 2HB ASP 26 11.713 -0.301 1.664 183 2HB ASP 26 3HB ASP 26 11.194 -1.384 2.959 184 H TRP 27 H TRP 27 8.620 -2.572 2.815 185 HA TRP 27 HA TRP 27 9.270 -5.372 3.011 186 1HB TRP 27 2HB TRP 27 8.273 -4.096 4.856 187 2HB TRP 27 3HB TRP 27 6.788 -3.886 3.925 188 HD1 TRP 27 HD1 TRP 27 8.721 -6.370 6.018 189 HE1 TRP 27 1HE TRP 27 7.329 -8.510 6.427 190 HE3 TRP 27 3HE TRP 27 4.752 -5.413 2.907 191 HZ2 TRP 27 2HZ TRP 27 4.989 -9.739 5.357 192 HZ3 TRP 27 3HZ TRP 27 2.960 -7.109 2.612 193 HH2 TRP 27 HH2 TRP 27 3.071 -9.274 3.814 194 H LEU 28 H LEU 28 6.610 -3.663 1.290 195 HA LEU 28 HA LEU 28 5.165 -5.964 0.481 196 1HB LEU 28 2HB LEU 28 5.520 -3.205 -0.706 197 2HB LEU 28 3HB LEU 28 4.462 -4.382 -1.484 198 HG LEU 28 HG LEU 28 4.120 -3.581 1.434 199 1HD1 LEU 28 1HD1 LEU 28 2.744 -2.386 -1.008 200 2HD1 LEU 28 2HD1 LEU 28 3.942 -1.563 0.017 201 3HD1 LEU 28 3HD1 LEU 28 2.377 -2.028 0.697 202 1HD2 LEU 28 1HD2 LEU 28 2.166 -4.763 -0.585 203 2HD2 LEU 28 2HD2 LEU 28 1.831 -4.391 1.118 204 3HD2 LEU 28 3HD2 LEU 28 2.974 -5.675 0.702 205 H ARG 29 H ARG 29 7.801 -4.349 -1.268 206 HA ARG 29 HA ARG 29 7.981 -6.318 -3.394 207 1HB ARG 29 2HB ARG 29 10.164 -5.307 -3.917 208 2HB ARG 29 3HB ARG 29 8.849 -4.136 -3.780 209 1HG ARG 29 2HG ARG 29 9.640 -3.607 -1.460 210 2HG ARG 29 3HG ARG 29 11.056 -4.624 -1.740 211 1HD ARG 29 2HD ARG 29 10.552 -2.571 -3.855 212 2HD ARG 29 3HD ARG 29 10.802 -1.903 -2.256 213 HE ARG 29 HE ARG 29 12.999 -2.668 -2.182 214 1HH1 ARG 29 1HH1 ARG 29 11.593 -3.783 -5.192 215 2HH1 ARG 29 2HH1 ARG 29 13.147 -4.200 -5.860 216 1HH2 ARG 29 1HH2 ARG 29 14.928 -3.165 -3.102 217 2HH2 ARG 29 2HH2 ARG 29 14.989 -3.840 -4.705 218 H ALA 30 H ALA 30 9.747 -6.114 -0.280 219 HA ALA 30 HA ALA 30 11.371 -8.421 -0.725 220 1HB ALA 30 1HB ALA 30 11.721 -8.357 1.705 221 2HB ALA 30 2HB ALA 30 11.807 -6.725 1.015 222 3HB ALA 30 3HB ALA 30 10.352 -7.245 1.897 223 H ALA 31 H ALA 31 8.089 -8.152 0.623 224 HA ALA 31 HA ALA 31 7.734 -10.900 1.353 225 1HB ALA 31 1HB ALA 31 6.448 -9.011 2.285 226 2HB ALA 31 2HB ALA 31 5.714 -8.706 0.694 227 3HB ALA 31 3HB ALA 31 5.367 -10.219 1.562 228 H GLY 32 H GLY 32 7.948 -9.571 -1.761 229 1HA GLY 32 2HA GLY 32 8.023 -10.982 -3.672 230 2HA GLY 32 1HA GLY 32 6.777 -12.024 -2.990 231 H PHE 33 H PHE 33 5.870 -8.739 -2.640 232 HA PHE 33 HA PHE 33 4.326 -8.757 -5.206 233 1HB PHE 33 2HB PHE 33 3.280 -7.832 -2.528 234 2HB PHE 33 3HB PHE 33 2.410 -7.913 -4.059 235 HD1 PHE 33 1HD PHE 33 2.668 -10.482 -5.177 236 HD2 PHE 33 2HD PHE 33 2.579 -9.433 -0.988 237 HE1 PHE 33 1HE PHE 33 1.904 -12.775 -4.613 238 HE2 PHE 33 2HE PHE 33 1.798 -11.723 -0.437 239 HZ PHE 33 HZ PHE 33 1.478 -13.400 -2.244 240 HA PRO 34 HA PRO 34 6.751 -4.775 -4.745 241 1HB PRO 34 2HB PRO 34 7.980 -4.769 -7.203 242 2HB PRO 34 3HB PRO 34 8.639 -5.636 -5.787 243 1HG PRO 34 2HG PRO 34 6.954 -6.777 -8.029 244 2HG PRO 34 3HG PRO 34 8.490 -7.417 -7.356 245 1HD PRO 34 2HD PRO 34 6.087 -8.382 -6.559 246 2HD PRO 34 3HD PRO 34 7.425 -8.167 -5.389 247 H GLN 35 H GLN 35 4.568 -6.072 -7.158 248 HA GLN 35 HA GLN 35 3.924 -3.767 -8.649 249 1HB GLN 35 2HB GLN 35 3.189 -6.063 -9.173 250 2HB GLN 35 3HB GLN 35 2.103 -6.050 -7.774 251 1HG GLN 35 2HG GLN 35 0.798 -4.210 -8.781 252 2HG GLN 35 3HG GLN 35 1.934 -4.114 -10.132 253 1HE2 GLN 35 1HE2 GLN 35 -0.596 -6.179 -8.606 254 2HE2 GLN 35 2HE2 GLN 35 -0.864 -7.118 -10.071 255 H TYR 36 H TYR 36 2.553 -4.829 -5.482 256 HA TYR 36 HA TYR 36 0.686 -2.685 -5.222 257 1HB TYR 36 2HB TYR 36 2.168 -4.197 -3.046 258 2HB TYR 36 3HB TYR 36 0.793 -3.133 -2.791 259 HD1 TYR 36 2HD TYR 36 -1.084 -3.941 -5.007 260 HD2 TYR 36 1HD TYR 36 1.374 -6.294 -2.345 261 HE1 TYR 36 2HE TYR 36 -2.620 -5.872 -5.282 262 HE2 TYR 36 1HE TYR 36 -0.170 -8.220 -2.628 263 HH TYR 36 HH TYR 36 -2.056 -9.011 -3.658 264 H ALA 37 H ALA 37 4.061 -2.875 -3.965 265 HA ALA 37 HA ALA 37 4.207 -0.268 -2.888 266 1HB ALA 37 1HB ALA 37 6.396 -1.937 -4.207 267 2HB ALA 37 2HB ALA 37 6.651 -0.535 -3.150 268 3HB ALA 37 3HB ALA 37 5.899 -1.998 -2.504 269 H GLN 38 H GLN 38 5.014 -1.293 -6.234 270 HA GLN 38 HA GLN 38 5.759 1.275 -7.224 271 1HB GLN 38 2HB GLN 38 4.696 -1.245 -8.550 272 2HB GLN 38 3HB GLN 38 5.095 0.190 -9.489 273 1HG GLN 38 2HG GLN 38 7.073 -1.224 -7.641 274 2HG GLN 38 3HG GLN 38 6.936 -1.515 -9.374 275 1HE2 GLN 38 1HE2 GLN 38 7.276 0.465 -10.855 276 2HE2 GLN 38 2HE2 GLN 38 8.423 1.665 -10.269 277 H LEU 39 H LEU 39 2.521 -0.166 -6.973 278 HA LEU 39 HA LEU 39 1.170 1.855 -8.520 279 1HB LEU 39 2HB LEU 39 0.275 -0.290 -6.570 280 2HB LEU 39 3HB LEU 39 -0.878 0.795 -7.306 281 HG LEU 39 HG LEU 39 0.992 -0.970 -8.939 282 1HD1 LEU 39 1HD1 LEU 39 -1.927 -1.391 -8.159 283 2HD1 LEU 39 2HD1 LEU 39 -0.540 -2.331 -7.564 284 3HD1 LEU 39 3HD1 LEU 39 -0.986 -2.406 -9.277 285 1HD2 LEU 39 1HD2 LEU 39 -0.587 -0.544 -10.768 286 2HD2 LEU 39 2HD2 LEU 39 0.137 0.965 -10.209 287 3HD2 LEU 39 3HD2 LEU 39 -1.524 0.548 -9.733 288 H TYR 40 H TYR 40 2.630 2.394 -5.579 289 HA TYR 40 HA TYR 40 0.697 3.939 -4.173 290 1HB TYR 40 2HB TYR 40 2.860 3.187 -3.202 291 2HB TYR 40 3HB TYR 40 3.715 4.276 -4.273 292 HD1 TYR 40 2HD TYR 40 0.570 4.918 -2.231 293 HD2 TYR 40 1HD TYR 40 4.774 5.767 -2.793 294 HE1 TYR 40 2HE TYR 40 0.453 6.684 -0.494 295 HE2 TYR 40 1HE TYR 40 4.648 7.508 -1.026 296 HH TYR 40 HH TYR 40 3.325 8.590 0.481 297 H GLU 41 H GLU 41 3.194 5.076 -6.480 298 HA GLU 41 HA GLU 41 2.248 7.814 -6.475 299 1HB GLU 41 2HB GLU 41 4.009 6.372 -8.494 300 2HB GLU 41 3HB GLU 41 3.782 8.125 -8.363 301 1HG GLU 41 2HG GLU 41 4.645 7.988 -5.987 302 2HG GLU 41 3HG GLU 41 5.076 6.302 -6.289 303 H ASP 42 H ASP 42 1.228 5.008 -8.241 304 HA ASP 42 HA ASP 42 -0.396 6.460 -10.226 305 1HB ASP 42 2HB ASP 42 -0.174 3.535 -9.424 306 2HB ASP 42 3HB ASP 42 -1.337 4.116 -10.604 307 H SER 43 H SER 43 -0.729 5.992 -6.922 308 HA SER 43 HA SER 43 -2.356 6.220 -5.405 309 1HB SER 43 2HB SER 43 -3.981 7.529 -7.609 310 2HB SER 43 3HB SER 43 -4.267 7.658 -5.870 311 HG SER 43 HG SER 43 -1.934 8.518 -7.267 312 H GLN 44 H GLN 44 -2.314 3.685 -6.828 313 HA GLN 44 HA GLN 44 -5.186 2.838 -6.729 314 1HB GLN 44 2HB GLN 44 -2.816 1.530 -8.086 315 2HB GLN 44 3HB GLN 44 -4.456 0.872 -8.031 316 1HG GLN 44 2HG GLN 44 -5.291 2.955 -9.168 317 2HG GLN 44 3HG GLN 44 -3.615 3.482 -9.323 318 1HE2 GLN 44 1HE2 GLN 44 -3.342 3.391 -11.581 319 2HE2 GLN 44 2HE2 GLN 44 -3.570 1.894 -12.482 320 H PHE 45 H PHE 45 -3.314 3.136 -4.338 321 HA PHE 45 HA PHE 45 -3.166 0.490 -3.143 322 1HB PHE 45 2HB PHE 45 -2.744 3.292 -2.225 323 2HB PHE 45 3HB PHE 45 -3.295 2.153 -1.013 324 HD1 PHE 45 1HD PHE 45 -0.752 2.275 -3.780 325 HD2 PHE 45 2HD PHE 45 -1.712 0.977 0.214 326 HE1 PHE 45 1HE PHE 45 1.553 1.412 -3.485 327 HE2 PHE 45 2HE PHE 45 0.613 0.103 0.476 328 HZ PHE 45 HZ PHE 45 2.223 0.293 -1.385 329 HA PRO 46 HA PRO 46 -7.294 1.323 -0.973 330 1HB PRO 46 2HB PRO 46 -8.903 3.469 -1.476 331 2HB PRO 46 3HB PRO 46 -7.500 3.547 -0.388 332 1HG PRO 46 2HG PRO 46 -7.630 4.382 -3.297 333 2HG PRO 46 3HG PRO 46 -6.951 5.291 -1.908 334 1HD PRO 46 2HD PRO 46 -5.412 3.812 -3.606 335 2HD PRO 46 3HD PRO 46 -5.020 3.975 -1.870 336 H ILE 47 H ILE 47 -7.362 -0.459 -2.527 337 HA ILE 47 HA ILE 47 -9.723 -0.311 -4.370 338 HB ILE 47 HB ILE 47 -8.578 -1.838 -5.918 339 1HG1 ILE 47 2HG1 ILE 47 -5.968 -1.199 -4.485 340 2HG1 ILE 47 3HG1 ILE 47 -6.850 -2.679 -4.175 341 1HG2 ILE 47 1HG2 ILE 47 -7.257 -0.125 -7.022 342 2HG2 ILE 47 2HG2 ILE 47 -8.675 0.615 -6.270 343 3HG2 ILE 47 3HG2 ILE 47 -7.081 0.777 -5.507 344 1HD1 ILE 47 1HD1 ILE 47 -6.696 -3.321 -6.557 345 2HD1 ILE 47 2HD1 ILE 47 -5.756 -1.846 -6.893 346 3HD1 ILE 47 3HD1 ILE 47 -5.101 -3.089 -5.811 347 H ASN 48 H ASN 48 -10.218 -1.007 -1.914 348 HA ASN 48 HA ASN 48 -11.072 -2.534 -0.471 349 1HB ASN 48 2HB ASN 48 -12.602 -2.951 -2.341 350 2HB ASN 48 3HB ASN 48 -11.536 -4.211 -2.960 351 1HD2 ASN 48 1HD2 ASN 48 -13.829 -5.268 -2.686 352 2HD2 ASN 48 2HD2 ASN 48 -14.024 -6.106 -1.149 353 H ILE 49 H ILE 49 -9.127 -2.735 0.642 354 HA ILE 49 HA ILE 49 -7.039 -4.542 0.095 355 HB ILE 49 HB ILE 49 -7.984 -3.446 2.761 356 1HG1 ILE 49 2HG1 ILE 49 -5.669 -2.606 0.940 357 2HG1 ILE 49 3HG1 ILE 49 -7.232 -1.800 0.969 358 1HG2 ILE 49 1HG2 ILE 49 -5.695 -4.024 3.602 359 2HG2 ILE 49 2HG2 ILE 49 -6.613 -5.453 3.190 360 3HG2 ILE 49 3HG2 ILE 49 -5.364 -4.865 2.072 361 1HD1 ILE 49 1HD1 ILE 49 -6.899 -1.201 3.358 362 2HD1 ILE 49 2HD1 ILE 49 -5.258 -1.889 3.279 363 3HD1 ILE 49 3HD1 ILE 49 -5.684 -0.510 2.264 364 H VAL 50 H VAL 50 -10.128 -5.169 1.679 365 HA VAL 50 HA VAL 50 -9.574 -7.793 2.684 366 HB VAL 50 HB VAL 50 -12.296 -6.781 1.792 367 1HG1 VAL 50 1HG1 VAL 50 -13.135 -8.235 3.602 368 2HG1 VAL 50 2HG1 VAL 50 -12.274 -9.171 2.387 369 3HG1 VAL 50 3HG1 VAL 50 -11.483 -8.792 3.934 370 1HG2 VAL 50 1HG2 VAL 50 -10.867 -6.340 4.452 371 2HG2 VAL 50 2HG2 VAL 50 -11.368 -5.083 3.297 372 3HG2 VAL 50 3HG2 VAL 50 -12.590 -6.019 4.151 373 H ALA 51 H ALA 51 -10.413 -6.691 -0.564 374 HA ALA 51 HA ALA 51 -10.792 -9.409 -1.613 375 1HB ALA 51 1HB ALA 51 -10.809 -8.312 -3.803 376 2HB ALA 51 2HB ALA 51 -11.936 -7.532 -2.684 377 3HB ALA 51 3HB ALA 51 -10.378 -6.760 -3.065 378 H VAL 52 H VAL 52 -8.188 -6.904 -1.981 379 HA VAL 52 HA VAL 52 -6.554 -8.590 -3.539 380 HB VAL 52 HB VAL 52 -4.786 -7.103 -3.414 381 1HG1 VAL 52 1HG1 VAL 52 -7.238 -5.356 -3.016 382 2HG1 VAL 52 2HG1 VAL 52 -5.757 -4.968 -3.908 383 3HG1 VAL 52 3HG1 VAL 52 -6.841 -6.232 -4.514 384 1HG2 VAL 52 1HG2 VAL 52 -5.910 -6.043 -0.817 385 2HG2 VAL 52 2HG2 VAL 52 -4.333 -6.801 -1.091 386 3HG2 VAL 52 3HG2 VAL 52 -4.665 -5.204 -1.766 387 H LYS 53 H LYS 53 -6.588 -8.336 -0.016 388 HA LYS 53 HA LYS 53 -4.298 -10.044 0.425 389 1HB LYS 53 2HB LYS 53 -4.822 -9.917 2.686 390 2HB LYS 53 3HB LYS 53 -5.334 -8.363 2.035 391 1HG LYS 53 2HG LYS 53 -7.714 -9.352 1.930 392 2HG LYS 53 3HG LYS 53 -7.071 -10.737 2.819 393 1HD LYS 53 2HD LYS 53 -6.260 -9.032 4.580 394 2HD LYS 53 3HD LYS 53 -7.302 -7.858 3.770 395 1HE LYS 53 2HE LYS 53 -9.280 -9.166 4.220 396 2HE LYS 53 3HE LYS 53 -8.323 -10.594 4.653 397 1HZ LYS 53 1HZ LYS 53 -7.572 -9.474 6.642 398 2HZ LYS 53 2HZ LYS 53 -9.201 -9.419 6.616 399 3HZ LYS 53 3HZ LYS 53 -8.336 -8.079 6.247 400 H ASN 54 H ASN 54 -7.415 -10.844 -0.631 401 HA ASN 54 HA ASN 54 -7.212 -13.705 0.220 402 1HB ASN 54 2HB ASN 54 -9.596 -11.846 -0.129 403 2HB ASN 54 3HB ASN 54 -9.776 -13.586 -0.037 404 1HD2 ASN 54 1HD2 ASN 54 -10.936 -11.721 1.781 405 2HD2 ASN 54 2HD2 ASN 54 -10.322 -12.222 3.356 406 H ASP 55 H ASP 55 -6.469 -12.075 -2.452 407 HA ASP 55 HA ASP 55 -7.961 -13.479 -4.513 408 1HB ASP 55 2HB ASP 55 -5.442 -11.791 -4.513 409 2HB ASP 55 3HB ASP 55 -5.980 -12.640 -5.962 410 H HIS 56 H HIS 56 -7.771 -15.544 -3.453 411 HA HIS 56 HA HIS 56 -7.024 -17.667 -3.150 412 1HB HIS 56 2HB HIS 56 -6.382 -17.241 -6.082 413 2HB HIS 56 3HB HIS 56 -6.555 -18.813 -5.296 414 HD1 HIS 56 1HD HIS 56 -9.094 -19.339 -4.238 415 HD2 HIS 56 2HD HIS 56 -8.631 -16.050 -6.840 416 HE1 HIS 56 1HE HIS 56 -11.440 -18.679 -4.974 417 H ASP 57 H ASP 57 -5.224 -16.204 -1.949 418 HA ASP 57 HA ASP 57 -2.488 -16.954 -2.734 419 1HB ASP 57 2HB ASP 57 -3.431 -14.691 -1.692 420 2HB ASP 57 3HB ASP 57 -3.149 -15.527 -0.168 421 H PHE 58 H PHE 58 -1.164 -17.367 -0.400 422 HA PHE 58 HA PHE 58 -1.550 -20.160 0.137 423 1HB PHE 58 2HB PHE 58 0.553 -18.531 0.245 424 2HB PHE 58 3HB PHE 58 0.045 -18.295 1.907 425 HD1 PHE 58 1HD PHE 58 0.644 -21.072 -0.583 426 HD2 PHE 58 2HD PHE 58 1.121 -19.712 3.481 427 HE1 PHE 58 1HE PHE 58 1.956 -23.111 -0.052 428 HE2 PHE 58 2HE PHE 58 2.427 -21.758 4.011 429 HZ PHE 58 HZ PHE 58 2.850 -23.457 2.244 430 H LEU 59 H LEU 59 -2.144 -21.203 2.114 431 HA LEU 59 HA LEU 59 -4.545 -20.199 3.255 432 1HB LEU 59 2HB LEU 59 -3.686 -22.651 2.957 433 2HB LEU 59 3HB LEU 59 -2.839 -22.391 4.478 434 HG LEU 59 HG LEU 59 -5.205 -21.724 5.427 435 1HD1 LEU 59 1HD1 LEU 59 -6.352 -21.586 3.212 436 2HD1 LEU 59 2HD1 LEU 59 -7.100 -22.780 4.287 437 3HD1 LEU 59 3HD1 LEU 59 -6.040 -23.319 2.964 438 1HD2 LEU 59 1HD2 LEU 59 -5.764 -24.075 5.861 439 2HD2 LEU 59 2HD2 LEU 59 -4.033 -23.769 6.068 440 3HD2 LEU 59 3HD2 LEU 59 -4.617 -24.592 4.601 441 H GLU 60 H GLU 60 -1.265 -19.893 4.374 442 HA GLU 60 HA GLU 60 -1.793 -19.292 7.149 443 1HB GLU 60 2HB GLU 60 0.646 -18.675 5.442 444 2HB GLU 60 3HB GLU 60 0.569 -18.525 7.189 445 1HG GLU 60 2HG GLU 60 0.262 -21.104 5.594 446 2HG GLU 60 3HG GLU 60 1.695 -20.592 6.472 447 H LYS 61 H LYS 61 -3.278 -17.699 7.414 448 HA LYS 61 HA LYS 61 -3.189 -15.049 6.311 449 1HB LYS 61 2HB LYS 61 -4.439 -16.074 8.895 450 2HB LYS 61 3HB LYS 61 -4.705 -14.465 8.199 451 1HG LYS 61 2HG LYS 61 -5.647 -15.466 6.150 452 2HG LYS 61 3HG LYS 61 -5.362 -17.082 6.789 453 1HD LYS 61 2HD LYS 61 -7.665 -16.587 7.015 454 2HD LYS 61 3HD LYS 61 -6.979 -16.669 8.629 455 1HE LYS 61 2HE LYS 61 -7.238 -13.985 7.224 456 2HE LYS 61 3HE LYS 61 -8.688 -14.764 7.860 457 1HZ LYS 61 1HZ LYS 61 -7.688 -14.807 10.056 458 2HZ LYS 61 2HZ LYS 61 -7.732 -13.276 9.501 459 3HZ LYS 61 3HZ LYS 61 -6.317 -14.090 9.519 460 H ASP 62 H ASP 62 -0.925 -16.383 8.355 461 HA ASP 62 HA ASP 62 -0.159 -14.168 9.998 462 1HB ASP 62 2HB ASP 62 0.614 -16.530 10.238 463 2HB ASP 62 3HB ASP 62 1.583 -16.343 8.774 464 H LEU 63 H LEU 63 0.519 -14.843 6.558 465 HA LEU 63 HA LEU 63 2.341 -12.563 6.271 466 1HB LEU 63 2HB LEU 63 2.478 -14.596 4.842 467 2HB LEU 63 3HB LEU 63 0.881 -14.238 4.184 468 HG LEU 63 HG LEU 63 1.753 -12.154 3.157 469 1HD1 LEU 63 1HD1 LEU 63 3.563 -11.580 4.724 470 2HD1 LEU 63 2HD1 LEU 63 4.200 -11.744 3.088 471 3HD1 LEU 63 3HD1 LEU 63 4.452 -13.051 4.267 472 1HD2 LEU 63 1HD2 LEU 63 3.452 -14.591 2.512 473 2HD2 LEU 63 2HD2 LEU 63 3.172 -13.187 1.457 474 3HD2 LEU 63 3HD2 LEU 63 1.823 -14.254 1.881 475 H VAL 64 H VAL 64 -1.102 -13.053 6.103 476 HA VAL 64 HA VAL 64 -1.792 -10.655 4.625 477 HB VAL 64 HB VAL 64 -3.445 -12.469 6.417 478 1HG1 VAL 64 1HG1 VAL 64 -4.566 -10.371 6.551 479 2HG1 VAL 64 2HG1 VAL 64 -4.273 -10.040 4.833 480 3HG1 VAL 64 3HG1 VAL 64 -5.414 -11.324 5.325 481 1HG2 VAL 64 1HG2 VAL 64 -2.674 -13.455 4.271 482 2HG2 VAL 64 2HG2 VAL 64 -4.420 -13.186 4.274 483 3HG2 VAL 64 3HG2 VAL 64 -3.356 -12.067 3.398 484 H GLU 65 H GLU 65 -1.318 -11.293 8.096 485 HA GLU 65 HA GLU 65 -2.309 -8.891 9.151 486 1HB GLU 65 2HB GLU 65 -0.404 -10.960 10.037 487 2HB GLU 65 3HB GLU 65 -0.046 -9.379 10.715 488 1HG GLU 65 2HG GLU 65 -2.769 -10.726 10.850 489 2HG GLU 65 3HG GLU 65 -1.555 -10.765 12.126 490 HA PRO 66 HA PRO 66 1.714 -6.405 8.608 491 1HB PRO 66 2HB PRO 66 3.718 -7.293 6.927 492 2HB PRO 66 3HB PRO 66 3.652 -7.597 8.688 493 1HG PRO 66 2HG PRO 66 2.759 -9.430 6.455 494 2HG PRO 66 3HG PRO 66 3.751 -9.834 7.892 495 1HD PRO 66 2HD PRO 66 1.094 -10.336 7.802 496 2HD PRO 66 3HD PRO 66 1.865 -9.765 9.310 497 H LEU 67 H LEU 67 0.857 -8.280 5.656 498 HA LEU 67 HA LEU 67 1.018 -6.178 3.763 499 1HB LEU 67 2HB LEU 67 0.819 -8.524 3.219 500 2HB LEU 67 3HB LEU 67 -0.794 -8.625 3.898 501 HG LEU 67 HG LEU 67 -0.341 -6.622 1.682 502 1HD1 LEU 67 1HD1 LEU 67 0.841 -8.613 0.857 503 2HD1 LEU 67 2HD1 LEU 67 -0.671 -8.367 -0.029 504 3HD1 LEU 67 3HD1 LEU 67 -0.572 -9.626 1.224 505 1HD2 LEU 67 1HD2 LEU 67 -2.608 -7.402 1.014 506 2HD2 LEU 67 2HD2 LEU 67 -2.606 -6.872 2.699 507 3HD2 LEU 67 3HD2 LEU 67 -2.583 -8.604 2.316 508 H CYS 68 H CYS 68 -1.801 -7.134 5.752 509 HA CYS 68 HA CYS 68 -3.478 -4.940 4.939 510 1HB CYS 68 2HB CYS 68 -4.106 -7.258 5.862 511 2HB CYS 68 3HB CYS 68 -3.732 -6.608 7.469 512 HG CYS 68 HG CYS 68 -5.334 -4.458 7.114 513 H ARG 69 H ARG 69 -0.688 -4.674 6.678 514 HA ARG 69 HA ARG 69 -1.625 -2.150 8.049 515 1HB ARG 69 2HB ARG 69 0.575 -4.105 8.758 516 2HB ARG 69 3HB ARG 69 0.800 -2.386 9.082 517 1HG ARG 69 2HG ARG 69 -0.079 -3.305 11.073 518 2HG ARG 69 3HG ARG 69 -1.346 -2.332 10.333 519 1HD ARG 69 2HD ARG 69 -2.179 -4.648 9.345 520 2HD ARG 69 3HD ARG 69 -1.121 -5.346 10.559 521 HE ARG 69 HE ARG 69 -2.580 -4.641 12.240 522 1HH1 ARG 69 1HH1 ARG 69 -3.775 -3.307 9.187 523 2HH1 ARG 69 2HH1 ARG 69 -5.216 -2.708 9.955 524 1HH2 ARG 69 1HH2 ARG 69 -4.463 -3.872 13.087 525 2HH2 ARG 69 2HH2 ARG 69 -5.603 -3.034 12.077 526 H ARG 70 H ARG 70 1.024 -3.474 6.058 527 HA ARG 70 HA ARG 70 2.152 -0.930 5.332 528 1HB ARG 70 2HB ARG 70 2.151 -3.502 3.696 529 2HB ARG 70 3HB ARG 70 3.209 -2.125 3.469 530 1HG ARG 70 2HG ARG 70 3.309 -4.251 5.589 531 2HG ARG 70 3HG ARG 70 4.543 -3.667 4.515 532 1HD ARG 70 2HD ARG 70 5.403 -2.630 6.296 533 2HD ARG 70 3HD ARG 70 4.170 -1.414 6.033 534 HE ARG 70 HE ARG 70 3.203 -2.026 8.024 535 1HH1 ARG 70 1HH1 ARG 70 5.234 -4.718 7.097 536 2HH1 ARG 70 2HH1 ARG 70 5.076 -5.489 8.649 537 1HH2 ARG 70 1HH2 ARG 70 3.020 -3.071 9.960 538 2HH2 ARG 70 2HH2 ARG 70 3.792 -4.609 10.200 539 H LEU 71 H LEU 71 -0.454 -2.779 3.740 540 HA LEU 71 HA LEU 71 -0.910 -0.749 1.700 541 1HB LEU 71 2HB LEU 71 -2.759 -2.912 2.766 542 2HB LEU 71 3HB LEU 71 -3.075 -1.894 1.363 543 HG LEU 71 HG LEU 71 -0.822 -3.939 1.613 544 1HD1 LEU 71 1HD1 LEU 71 -2.064 -5.131 -0.125 545 2HD1 LEU 71 2HD1 LEU 71 -3.306 -3.858 -0.145 546 3HD1 LEU 71 3HD1 LEU 71 -3.089 -4.874 1.297 547 1HD2 LEU 71 1HD2 LEU 71 -1.524 -2.113 -0.716 548 2HD2 LEU 71 2HD2 LEU 71 -0.449 -3.528 -0.803 549 3HD2 LEU 71 3HD2 LEU 71 0.002 -2.159 0.203 550 H ASN 72 H ASN 72 -2.424 -1.359 4.868 551 HA ASN 72 HA ASN 72 -4.333 0.751 4.642 552 1HB ASN 72 2HB ASN 72 -4.534 -1.344 6.011 553 2HB ASN 72 3HB ASN 72 -3.395 -0.643 7.168 554 1HD2 ASN 72 1HD2 ASN 72 -4.462 0.313 8.914 555 2HD2 ASN 72 2HD2 ASN 72 -6.058 1.041 8.776 556 H THR 73 H THR 73 -1.042 1.170 5.142 557 HA THR 73 HA THR 73 -1.473 3.769 6.575 558 HB THR 73 HB THR 73 0.161 2.202 7.546 559 HG1 THR 73 1HG THR 73 1.579 3.870 7.980 560 1HG2 THR 73 1HG2 THR 73 2.406 2.040 6.693 561 2HG2 THR 73 2HG2 THR 73 2.017 3.049 5.288 562 3HG2 THR 73 3HG2 THR 73 1.308 1.424 5.457 563 H LEU 74 H LEU 74 -0.051 2.498 3.538 564 HA LEU 74 HA LEU 74 0.456 5.158 2.458 565 1HB LEU 74 2HB LEU 74 0.662 2.333 1.516 566 2HB LEU 74 3HB LEU 74 0.375 3.545 0.268 567 HG LEU 74 HG LEU 74 2.360 4.811 0.961 568 1HD1 LEU 74 1HD1 LEU 74 2.572 4.308 3.302 569 2HD1 LEU 74 2HD1 LEU 74 4.006 3.692 2.461 570 3HD1 LEU 74 3HD1 LEU 74 2.722 2.565 2.965 571 1HD2 LEU 74 1HD2 LEU 74 2.988 1.863 0.529 572 2HD2 LEU 74 2HD2 LEU 74 4.049 3.243 0.159 573 3HD2 LEU 74 3HD2 LEU 74 2.551 3.018 -0.749 574 H ASN 75 H ASN 75 -2.320 2.891 2.178 575 HA ASN 75 HA ASN 75 -3.624 4.237 0.057 576 1HB ASN 75 2HB ASN 75 -5.542 2.981 0.593 577 2HB ASN 75 3HB ASN 75 -4.198 1.941 1.021 578 1HD2 ASN 75 1HD2 ASN 75 -7.062 1.932 2.000 579 2HD2 ASN 75 2HD2 ASN 75 -6.857 2.079 3.742 580 H LYS 76 H LYS 76 -3.755 4.908 3.476 581 HA LYS 76 HA LYS 76 -5.753 6.911 3.572 582 1HB LYS 76 2HB LYS 76 -4.632 5.581 5.432 583 2HB LYS 76 3HB LYS 76 -3.276 6.711 5.346 584 1HG LYS 76 2HG LYS 76 -4.675 8.546 6.083 585 2HG LYS 76 3HG LYS 76 -6.153 7.615 5.792 586 1HD LYS 76 2HD LYS 76 -5.730 7.701 8.178 587 2HD LYS 76 3HD LYS 76 -5.569 6.042 7.592 588 1HE LYS 76 2HE LYS 76 -3.064 6.361 7.527 589 2HE LYS 76 3HE LYS 76 -3.291 7.972 8.228 590 1HZ LYS 76 1HZ LYS 76 -4.074 5.405 9.511 591 2HZ LYS 76 2HZ LYS 76 -4.333 6.880 10.164 592 3HZ LYS 76 3HZ LYS 76 -2.809 6.337 9.949 593 H CYS 77 H CYS 77 -2.265 7.249 3.043 594 HA CYS 77 HA CYS 77 -2.296 10.121 2.612 595 1HB CYS 77 2HB CYS 77 -0.313 8.698 3.328 596 2HB CYS 77 3HB CYS 77 -0.218 8.119 1.650 597 HG CYS 77 HG CYS 77 1.589 9.945 1.916 598 H ALA 78 H ALA 78 -2.477 7.282 0.415 599 HA ALA 78 HA ALA 78 -2.263 8.670 -2.030 600 1HB ALA 78 1HB ALA 78 -3.164 6.630 -3.027 601 2HB ALA 78 2HB ALA 78 -2.031 6.218 -1.727 602 3HB ALA 78 3HB ALA 78 -3.786 6.096 -1.456 603 H SER 79 H SER 79 -5.135 8.318 -0.008 604 HA SER 79 HA SER 79 -7.073 9.236 -1.961 605 1HB SER 79 2HB SER 79 -7.634 7.973 0.104 606 2HB SER 79 3HB SER 79 -7.194 9.391 1.077 607 HG SER 79 HG SER 79 -9.466 9.254 0.604 608 H MET 80 H MET 80 -5.282 10.913 0.600 609 HA MET 80 HA MET 80 -6.180 13.616 -0.152 610 1HB MET 80 2HB MET 80 -4.807 14.330 1.761 611 2HB MET 80 3HB MET 80 -5.931 13.052 2.195 612 1HG MET 80 2HG MET 80 -4.157 11.384 2.073 613 2HG MET 80 3HG MET 80 -2.984 12.601 1.579 614 1HE MET 80 1HE MET 80 -1.895 14.333 4.731 615 2HE MET 80 2HE MET 80 -1.471 13.764 3.101 616 3HE MET 80 3HE MET 80 -2.793 14.938 3.318 617 H LYS 81 H LYS 81 -4.008 15.165 0.157 618 HA LYS 81 HA LYS 81 -2.045 14.480 -1.998 619 1HB LYS 81 2HB LYS 81 -3.390 16.397 -2.638 620 2HB LYS 81 3HB LYS 81 -3.095 17.186 -1.080 621 1HG LYS 81 2HG LYS 81 -0.705 17.400 -1.585 622 2HG LYS 81 3HG LYS 81 -0.916 16.503 -3.102 623 1HD LYS 81 2HD LYS 81 -2.250 18.298 -4.052 624 2HD LYS 81 3HD LYS 81 -2.375 19.104 -2.484 625 1HE LYS 81 2HE LYS 81 -0.776 20.298 -3.839 626 2HE LYS 81 3HE LYS 81 0.039 19.557 -2.461 627 1HZ LYS 81 1HZ LYS 81 1.284 19.251 -4.529 628 2HZ LYS 81 2HZ LYS 81 0.041 18.455 -5.224 629 3HZ LYS 81 3HZ LYS 81 0.830 17.799 -3.949 Start of MODEL 7 1 1H MET 1 1H MET 1 -17.194 5.302 -6.881 2 2H MET 1 2H MET 1 -17.025 5.631 -5.289 3 3H MET 1 3H MET 1 -16.040 4.538 -6.013 4 HA MET 1 HA MET 1 -16.073 7.456 -6.424 5 1HB MET 1 2HB MET 1 -13.945 5.549 -5.360 6 2HB MET 1 3HB MET 1 -13.592 7.194 -5.892 7 1HG MET 1 2HG MET 1 -15.124 8.117 -4.219 8 2HG MET 1 3HG MET 1 -15.526 6.487 -3.657 9 1HE MET 1 1HE MET 1 -13.435 8.007 -0.693 10 2HE MET 1 2HE MET 1 -14.467 8.949 -1.793 11 3HE MET 1 3HE MET 1 -15.006 7.356 -1.208 12 H HIS 2 H HIS 2 -15.663 8.196 -8.391 13 HA HIS 2 HA HIS 2 -13.714 6.836 -10.127 14 1HB HIS 2 2HB HIS 2 -15.121 7.020 -12.105 15 2HB HIS 2 3HB HIS 2 -15.871 5.968 -10.915 16 HD1 HIS 2 1HD HIS 2 -18.254 6.776 -9.939 17 HD2 HIS 2 2HD HIS 2 -16.325 9.419 -12.604 18 HE1 HIS 2 1HE HIS 2 -19.967 8.562 -10.538 19 H HIS 3 H HIS 3 -12.589 8.260 -11.437 20 HA HIS 3 HA HIS 3 -11.470 10.152 -11.968 21 1HB HIS 3 2HB HIS 3 -14.296 11.249 -12.102 22 2HB HIS 3 3HB HIS 3 -12.887 12.168 -12.585 23 HD1 HIS 3 1HD HIS 3 -13.166 8.446 -13.650 24 HD2 HIS 3 2HD HIS 3 -13.566 12.392 -15.085 25 HE1 HIS 3 1HE HIS 3 -13.335 8.270 -16.176 26 H HIS 4 H HIS 4 -12.349 9.782 -8.953 27 HA HIS 4 HA HIS 4 -12.328 12.378 -7.767 28 1HB HIS 4 2HB HIS 4 -13.292 10.335 -6.765 29 2HB HIS 4 3HB HIS 4 -11.679 9.640 -6.602 30 HD1 HIS 4 1HD HIS 4 -10.928 9.815 -4.123 31 HD2 HIS 4 2HD HIS 4 -13.228 13.087 -5.472 32 HE1 HIS 4 1HE HIS 4 -11.160 11.384 -2.142 33 H HIS 5 H HIS 5 -9.695 10.304 -8.748 34 HA HIS 5 HA HIS 5 -7.680 12.271 -7.722 35 1HB HIS 5 2HB HIS 5 -7.278 9.288 -8.140 36 2HB HIS 5 3HB HIS 5 -6.093 10.431 -7.523 37 HD1 HIS 5 1HD HIS 5 -7.415 7.754 -6.015 38 HD2 HIS 5 2HD HIS 5 -8.007 11.864 -5.272 39 HE1 HIS 5 1HE HIS 5 -8.171 7.942 -3.588 40 H HIS 6 H HIS 6 -5.790 12.486 -9.063 41 HA HIS 6 HA HIS 6 -5.955 11.589 -11.891 42 1HB HIS 6 2HB HIS 6 -7.225 13.746 -11.680 43 2HB HIS 6 3HB HIS 6 -5.742 14.539 -11.168 44 HD1 HIS 6 1HD HIS 6 -4.231 12.613 -13.702 45 HD2 HIS 6 2HD HIS 6 -7.207 15.603 -13.704 46 HE1 HIS 6 1HE HIS 6 -4.259 13.597 -16.059 47 H HIS 7 H HIS 7 -4.032 13.424 -9.466 48 HA HIS 7 HA HIS 7 -1.619 11.975 -10.329 49 1HB HIS 7 2HB HIS 7 -0.253 13.924 -10.528 50 2HB HIS 7 3HB HIS 7 -1.621 14.111 -11.611 51 HD1 HIS 7 1HD HIS 7 0.171 15.919 -8.884 52 HD2 HIS 7 2HD HIS 7 -3.650 15.863 -10.674 53 HE1 HIS 7 1HE HIS 7 -0.964 18.101 -8.218 54 H SER 8 H SER 8 0.202 12.364 -8.747 55 HA SER 8 HA SER 8 -0.830 12.445 -5.940 56 1HB SER 8 2HB SER 8 0.685 10.522 -5.506 57 2HB SER 8 3HB SER 8 -0.661 10.175 -6.598 58 HG SER 8 HG SER 8 2.039 10.698 -7.342 59 H SER 9 H SER 9 -0.094 14.624 -5.769 60 HA SER 9 HA SER 9 2.813 15.142 -5.647 61 1HB SER 9 2HB SER 9 2.116 17.411 -4.988 62 2HB SER 9 3HB SER 9 1.383 16.894 -6.511 63 HG SER 9 HG SER 9 -0.133 17.901 -5.095 64 H GLY 10 H GLY 10 3.673 16.190 -3.647 65 1HA GLY 10 2HA GLY 10 2.838 16.315 -1.093 66 2HA GLY 10 1HA GLY 10 3.057 14.574 -1.235 67 H LEU 11 H LEU 11 4.607 17.581 -0.749 68 HA LEU 11 HA LEU 11 7.259 16.287 -0.388 69 1HB LEU 11 2HB LEU 11 7.117 17.275 -2.680 70 2HB LEU 11 3HB LEU 11 6.772 18.845 -1.968 71 HG LEU 11 HG LEU 11 9.049 18.833 -0.898 72 1HD1 LEU 11 1HD1 LEU 11 9.467 16.417 -0.718 73 2HD1 LEU 11 2HD1 LEU 11 10.720 17.187 -1.694 74 3HD1 LEU 11 3HD1 LEU 11 9.428 16.261 -2.489 75 1HD2 LEU 11 1HD2 LEU 11 9.043 18.342 -3.902 76 2HD2 LEU 11 2HD2 LEU 11 10.296 19.199 -2.972 77 3HD2 LEU 11 3HD2 LEU 11 8.667 19.882 -3.097 78 H VAL 12 H VAL 12 6.207 16.448 1.803 79 HA VAL 12 HA VAL 12 7.246 18.793 3.243 80 HB VAL 12 HB VAL 12 5.215 19.716 2.610 81 1HG1 VAL 12 1HG1 VAL 12 3.658 17.391 3.791 82 2HG1 VAL 12 2HG1 VAL 12 2.999 18.892 3.119 83 3HG1 VAL 12 3HG1 VAL 12 3.841 17.757 2.061 84 1HG2 VAL 12 1HG2 VAL 12 6.006 20.060 4.977 85 2HG2 VAL 12 2HG2 VAL 12 4.297 20.408 4.660 86 3HG2 VAL 12 3HG2 VAL 12 4.743 18.903 5.471 87 HA PRO 13 HA PRO 13 7.704 14.952 5.732 88 1HB PRO 13 2HB PRO 13 10.346 15.137 6.331 89 2HB PRO 13 3HB PRO 13 9.744 14.572 4.749 90 1HG PRO 13 2HG PRO 13 10.705 17.355 5.456 91 2HG PRO 13 3HG PRO 13 11.173 16.341 4.054 92 1HD PRO 13 2HD PRO 13 9.237 18.270 3.908 93 2HD PRO 13 3HD PRO 13 9.146 16.762 2.950 94 H ARG 14 H ARG 14 6.281 15.923 7.211 95 HA ARG 14 HA ARG 14 7.382 17.605 9.431 96 1HB ARG 14 2HB ARG 14 4.584 16.670 8.723 97 2HB ARG 14 3HB ARG 14 4.953 17.536 10.212 98 1HG ARG 14 2HG ARG 14 5.647 18.698 7.487 99 2HG ARG 14 3HG ARG 14 4.037 18.843 8.185 100 1HD ARG 14 2HD ARG 14 5.127 20.852 8.718 101 2HD ARG 14 3HD ARG 14 5.065 19.913 10.215 102 HE ARG 14 HE ARG 14 7.543 19.710 8.587 103 1HH1 ARG 14 1HH1 ARG 14 6.072 21.378 11.278 104 2HH1 ARG 14 2HH1 ARG 14 7.609 21.841 11.958 105 1HH2 ARG 14 1HH2 ARG 14 9.472 20.285 9.509 106 2HH2 ARG 14 2HH2 ARG 14 9.482 21.239 10.962 107 H GLY 15 H GLY 15 8.824 16.195 10.325 108 1HA GLY 15 2HA GLY 15 9.475 14.668 11.987 109 2HA GLY 15 1HA GLY 15 7.779 14.317 12.311 110 H SER 16 H SER 16 8.536 12.108 12.504 111 HA SER 16 HA SER 16 9.821 10.615 10.523 112 1HB SER 16 2HB SER 16 7.967 9.582 12.700 113 2HB SER 16 3HB SER 16 9.254 8.674 11.882 114 HG SER 16 HG SER 16 9.942 9.495 13.911 115 H GLN 17 H GLN 17 6.890 11.816 9.842 116 HA GLN 17 HA GLN 17 5.190 9.672 9.156 117 1HB GLN 17 2HB GLN 17 5.454 12.457 7.955 118 2HB GLN 17 3HB GLN 17 4.156 11.325 7.552 119 1HG GLN 17 2HG GLN 17 3.518 11.213 9.970 120 2HG GLN 17 3HG GLN 17 4.740 12.432 10.333 121 1HE2 GLN 17 1HE2 GLN 17 4.156 14.605 10.090 122 2HE2 GLN 17 2HE2 GLN 17 2.595 15.099 9.410 123 H GLU 18 H GLU 18 7.901 10.966 7.222 124 HA GLU 18 HA GLU 18 7.261 9.426 4.837 125 1HB GLU 18 2HB GLU 18 9.919 10.537 5.823 126 2HB GLU 18 3HB GLU 18 9.683 9.694 4.285 127 1HG GLU 18 2HG GLU 18 7.842 11.436 3.788 128 2HG GLU 18 3HG GLU 18 8.547 12.378 5.107 129 H ILE 19 H ILE 19 9.035 8.583 7.810 130 HA ILE 19 HA ILE 19 10.194 6.150 6.730 131 HB ILE 19 HB ILE 19 9.792 7.014 9.626 132 1HG1 ILE 19 2HG1 ILE 19 12.472 7.032 9.255 133 2HG1 ILE 19 3HG1 ILE 19 12.014 7.331 7.585 134 1HG2 ILE 19 1HG2 ILE 19 11.434 5.231 10.166 135 2HG2 ILE 19 2HG2 ILE 19 9.933 4.571 9.537 136 3HG2 ILE 19 3HG2 ILE 19 11.362 4.664 8.481 137 1HD1 ILE 19 1HD1 ILE 19 12.464 9.415 8.795 138 2HD1 ILE 19 2HD1 ILE 19 10.747 9.375 8.370 139 3HD1 ILE 19 3HD1 ILE 19 11.268 8.991 10.031 140 H GLU 20 H GLU 20 7.190 6.863 8.516 141 HA GLU 20 HA GLU 20 6.218 4.203 8.808 142 1HB GLU 20 2HB GLU 20 4.585 6.698 8.186 143 2HB GLU 20 3HB GLU 20 3.969 5.177 8.836 144 1HG GLU 20 2HG GLU 20 5.456 5.482 10.842 145 2HG GLU 20 3HG GLU 20 5.899 7.079 10.230 146 H ALA 21 H ALA 21 5.997 6.375 5.990 147 HA ALA 21 HA ALA 21 4.562 4.454 4.362 148 1HB ALA 21 1HB ALA 21 4.303 6.880 4.048 149 2HB ALA 21 2HB ALA 21 6.020 7.025 3.606 150 3HB ALA 21 3HB ALA 21 4.905 6.116 2.565 151 H LYS 22 H LYS 22 7.981 5.506 4.495 152 HA LYS 22 HA LYS 22 8.995 3.960 2.339 153 1HB LYS 22 2HB LYS 22 10.175 5.806 3.661 154 2HB LYS 22 3HB LYS 22 10.493 4.595 4.912 155 1HG LYS 22 2HG LYS 22 11.619 3.194 3.040 156 2HG LYS 22 3HG LYS 22 11.418 4.607 2.005 157 1HD LYS 22 2HD LYS 22 13.641 4.688 2.822 158 2HD LYS 22 3HD LYS 22 12.762 5.934 3.726 159 1HE LYS 22 2HE LYS 22 12.529 4.374 5.649 160 2HE LYS 22 3HE LYS 22 13.306 3.089 4.714 161 1HZ LYS 22 1HZ LYS 22 14.890 4.163 6.196 162 2HZ LYS 22 2HZ LYS 22 14.621 5.628 5.528 163 3HZ LYS 22 3HZ LYS 22 15.329 4.445 4.652 164 H GLU 23 H GLU 23 8.695 3.087 5.771 165 HA GLU 23 HA GLU 23 9.742 0.452 5.700 166 1HB GLU 23 2HB GLU 23 7.587 1.770 7.387 167 2HB GLU 23 3HB GLU 23 8.026 0.083 7.613 168 1HG GLU 23 2HG GLU 23 10.077 2.328 7.753 169 2HG GLU 23 3HG GLU 23 9.170 1.749 9.148 170 H ALA 24 H ALA 24 6.360 1.503 4.997 171 HA ALA 24 HA ALA 24 5.316 -1.101 4.548 172 1HB ALA 24 1HB ALA 24 3.497 0.084 3.379 173 2HB ALA 24 2HB ALA 24 3.938 0.938 4.874 174 3HB ALA 24 3HB ALA 24 4.485 1.544 3.297 175 H CYS 25 H CYS 25 6.605 1.204 2.082 176 HA CYS 25 HA CYS 25 6.342 -0.585 -0.134 177 1HB CYS 25 2HB CYS 25 8.159 1.810 0.354 178 2HB CYS 25 3HB CYS 25 8.059 0.947 -1.195 179 HG CYS 25 HG CYS 25 6.632 3.136 -1.365 180 H ASP 26 H ASP 26 9.162 -0.063 2.029 181 HA ASP 26 HA ASP 26 10.913 -1.916 0.692 182 1HB ASP 26 2HB ASP 26 11.624 -0.134 2.274 183 2HB ASP 26 3HB ASP 26 10.870 -1.018 3.602 184 H TRP 27 H TRP 27 8.675 -2.331 3.453 185 HA TRP 27 HA TRP 27 9.176 -5.083 3.981 186 1HB TRP 27 2HB TRP 27 8.069 -3.525 5.515 187 2HB TRP 27 3HB TRP 27 6.692 -3.390 4.424 188 HD1 TRP 27 HD1 TRP 27 8.168 -5.508 7.147 189 HE1 TRP 27 1HE TRP 27 6.533 -7.394 7.795 190 HE3 TRP 27 3HE TRP 27 4.783 -5.025 3.322 191 HZ2 TRP 27 2HZ TRP 27 4.134 -8.560 6.762 192 HZ3 TRP 27 3HZ TRP 27 2.864 -6.585 3.147 193 HH2 TRP 27 HH2 TRP 27 2.530 -8.357 4.848 194 H LEU 28 H LEU 28 6.786 -3.567 1.771 195 HA LEU 28 HA LEU 28 5.391 -5.896 0.997 196 1HB LEU 28 2HB LEU 28 5.993 -3.242 -0.325 197 2HB LEU 28 3HB LEU 28 5.175 -4.483 -1.257 198 HG LEU 28 HG LEU 28 4.129 -3.526 1.444 199 1HD1 LEU 28 1HD1 LEU 28 3.318 -2.647 -1.359 200 2HD1 LEU 28 2HD1 LEU 28 4.169 -1.647 -0.158 201 3HD1 LEU 28 3HD1 LEU 28 2.516 -2.190 0.161 202 1HD2 LEU 28 1HD2 LEU 28 2.952 -5.163 -0.836 203 2HD2 LEU 28 2HD2 LEU 28 1.992 -4.470 0.488 204 3HD2 LEU 28 3HD2 LEU 28 3.229 -5.689 0.831 205 H ARG 29 H ARG 29 8.394 -4.642 -0.363 206 HA ARG 29 HA ARG 29 8.792 -6.663 -2.408 207 1HB ARG 29 2HB ARG 29 10.690 -4.844 -0.873 208 2HB ARG 29 3HB ARG 29 11.242 -5.947 -2.134 209 1HG ARG 29 2HG ARG 29 10.137 -4.790 -3.851 210 2HG ARG 29 3HG ARG 29 8.993 -4.011 -2.755 211 1HD ARG 29 2HD ARG 29 10.608 -2.403 -3.618 212 2HD ARG 29 3HD ARG 29 10.713 -2.566 -1.859 213 HE ARG 29 HE ARG 29 12.610 -4.308 -3.189 214 1HH1 ARG 29 1HH1 ARG 29 12.209 -0.938 -2.374 215 2HH1 ARG 29 2HH1 ARG 29 13.925 -0.662 -2.243 216 1HH2 ARG 29 1HH2 ARG 29 14.787 -3.910 -3.006 217 2HH2 ARG 29 2HH2 ARG 29 15.341 -2.309 -2.616 218 H ALA 30 H ALA 30 10.077 -6.464 0.928 219 HA ALA 30 HA ALA 30 11.332 -9.026 0.944 220 1HB ALA 30 1HB ALA 30 11.825 -7.217 2.547 221 2HB ALA 30 2HB ALA 30 10.210 -7.402 3.268 222 3HB ALA 30 3HB ALA 30 11.393 -8.720 3.383 223 H ALA 31 H ALA 31 7.990 -8.134 1.781 224 HA ALA 31 HA ALA 31 7.122 -10.704 2.695 225 1HB ALA 31 1HB ALA 31 5.553 -8.355 1.540 226 2HB ALA 31 2HB ALA 31 4.877 -9.694 2.487 227 3HB ALA 31 3HB ALA 31 6.011 -8.565 3.245 228 H GLY 32 H GLY 32 7.985 -9.815 -0.472 229 1HA GLY 32 2HA GLY 32 7.994 -11.194 -2.341 230 2HA GLY 32 1HA GLY 32 6.817 -12.271 -1.589 231 H PHE 33 H PHE 33 5.950 -8.898 -1.623 232 HA PHE 33 HA PHE 33 4.256 -9.243 -4.064 233 1HB PHE 33 2HB PHE 33 3.335 -7.958 -1.481 234 2HB PHE 33 3HB PHE 33 2.413 -8.192 -2.964 235 HD1 PHE 33 2HD PHE 33 1.990 -10.635 -3.762 236 HD2 PHE 33 1HD PHE 33 3.227 -9.589 0.238 237 HE1 PHE 33 2HE PHE 33 1.136 -12.812 -2.923 238 HE2 PHE 33 1HE PHE 33 2.371 -11.763 1.071 239 HZ PHE 33 HZ PHE 33 1.323 -13.378 -0.505 240 HA PRO 34 HA PRO 34 6.751 -5.251 -4.092 241 1HB PRO 34 2HB PRO 34 8.150 -5.582 -6.416 242 2HB PRO 34 3HB PRO 34 8.680 -6.287 -4.859 243 1HG PRO 34 2HG PRO 34 7.106 -7.658 -7.060 244 2HG PRO 34 3HG PRO 34 8.596 -8.234 -6.241 245 1HD PRO 34 2HD PRO 34 6.137 -9.064 -5.445 246 2HD PRO 34 3HD PRO 34 7.428 -8.723 -4.252 247 H GLN 35 H GLN 35 4.654 -6.886 -6.374 248 HA GLN 35 HA GLN 35 4.145 -4.817 -8.240 249 1HB GLN 35 2HB GLN 35 3.382 -7.146 -8.488 250 2HB GLN 35 3HB GLN 35 2.232 -6.931 -7.158 251 1HG GLN 35 2HG GLN 35 1.003 -5.232 -8.454 252 2HG GLN 35 3HG GLN 35 2.215 -5.295 -9.738 253 1HE2 GLN 35 1HE2 GLN 35 -0.481 -7.095 -8.197 254 2HE2 GLN 35 2HE2 GLN 35 -0.647 -8.219 -9.542 255 H TYR 36 H TYR 36 2.559 -5.404 -5.035 256 HA TYR 36 HA TYR 36 0.723 -3.235 -5.241 257 1HB TYR 36 2HB TYR 36 2.013 -4.395 -2.759 258 2HB TYR 36 3HB TYR 36 0.634 -3.306 -2.768 259 HD1 TYR 36 1HD TYR 36 -1.147 -4.362 -4.874 260 HD2 TYR 36 2HD TYR 36 1.222 -6.434 -1.919 261 HE1 TYR 36 1HE TYR 36 -2.683 -6.301 -5.004 262 HE2 TYR 36 2HE TYR 36 -0.321 -8.386 -2.064 263 HH TYR 36 HH TYR 36 -3.105 -8.442 -4.312 264 H ALA 37 H ALA 37 4.122 -3.199 -4.050 265 HA ALA 37 HA ALA 37 4.110 -0.489 -3.180 266 1HB ALA 37 1HB ALA 37 6.546 -0.634 -3.334 267 2HB ALA 37 2HB ALA 37 5.881 -2.116 -2.627 268 3HB ALA 37 3HB ALA 37 6.428 -2.104 -4.320 269 H GLN 38 H GLN 38 4.564 -1.807 -6.468 270 HA GLN 38 HA GLN 38 5.214 0.721 -7.734 271 1HB GLN 38 2HB GLN 38 4.143 -1.919 -8.797 272 2HB GLN 38 3HB GLN 38 4.436 -0.538 -9.836 273 1HG GLN 38 2HG GLN 38 6.587 -1.777 -8.063 274 2HG GLN 38 3HG GLN 38 6.306 -2.238 -9.738 275 1HE2 GLN 38 1HE2 GLN 38 8.273 -0.239 -7.868 276 2HE2 GLN 38 2HE2 GLN 38 8.602 0.963 -9.113 277 H LEU 39 H LEU 39 2.104 -0.741 -6.843 278 HA LEU 39 HA LEU 39 0.460 0.969 -8.495 279 1HB LEU 39 2HB LEU 39 -0.046 -0.849 -6.138 280 2HB LEU 39 3HB LEU 39 -1.238 0.362 -6.520 281 HG LEU 39 HG LEU 39 -1.412 -0.520 -8.847 282 1HD1 LEU 39 1HD1 LEU 39 0.231 -2.855 -7.816 283 2HD1 LEU 39 2HD1 LEU 39 0.792 -1.680 -9.030 284 3HD1 LEU 39 3HD1 LEU 39 -0.577 -2.739 -9.388 285 1HD2 LEU 39 1HD2 LEU 39 -1.879 -2.573 -6.639 286 2HD2 LEU 39 2HD2 LEU 39 -2.705 -2.505 -8.212 287 3HD2 LEU 39 3HD2 LEU 39 -2.954 -1.220 -7.022 288 H TYR 40 H TYR 40 2.218 1.727 -5.591 289 HA TYR 40 HA TYR 40 0.570 3.834 -4.587 290 1HB TYR 40 2HB TYR 40 2.527 2.770 -3.389 291 2HB TYR 40 3HB TYR 40 3.603 3.620 -4.470 292 HD1 TYR 40 2HD TYR 40 0.497 4.740 -2.576 293 HD2 TYR 40 1HD TYR 40 4.759 5.175 -3.155 294 HE1 TYR 40 2HE TYR 40 0.536 6.606 -0.935 295 HE2 TYR 40 1HE TYR 40 4.788 7.024 -1.497 296 HH TYR 40 HH TYR 40 3.558 8.314 -0.066 297 H GLU 41 H GLU 41 3.228 3.911 -6.953 298 HA GLU 41 HA GLU 41 3.187 6.760 -7.426 299 1HB GLU 41 2HB GLU 41 4.221 4.463 -9.145 300 2HB GLU 41 3HB GLU 41 4.530 6.179 -9.437 301 1HG GLU 41 2HG GLU 41 5.622 6.346 -7.191 302 2HG GLU 41 3HG GLU 41 5.408 4.607 -6.977 303 H ASP 42 H ASP 42 1.034 4.310 -8.448 304 HA ASP 42 HA ASP 42 -0.134 6.021 -10.598 305 1HB ASP 42 2HB ASP 42 0.626 3.588 -11.030 306 2HB ASP 42 3HB ASP 42 -0.755 3.101 -10.052 307 H SER 43 H SER 43 -0.437 5.835 -7.451 308 HA SER 43 HA SER 43 -1.899 5.904 -5.793 309 1HB SER 43 2HB SER 43 -3.645 7.536 -5.870 310 2HB SER 43 3HB SER 43 -2.202 8.114 -6.702 311 HG SER 43 HG SER 43 -4.104 8.602 -7.863 312 H GLN 44 H GLN 44 -2.213 3.557 -7.463 313 HA GLN 44 HA GLN 44 -5.042 2.755 -7.294 314 1HB GLN 44 2HB GLN 44 -2.491 1.401 -8.215 315 2HB GLN 44 3HB GLN 44 -4.035 0.554 -8.197 316 1HG GLN 44 2HG GLN 44 -3.578 3.095 -9.789 317 2HG GLN 44 3HG GLN 44 -3.276 1.474 -10.392 318 1HE2 GLN 44 1HE2 GLN 44 -4.845 1.828 -12.083 319 2HE2 GLN 44 2HE2 GLN 44 -6.564 1.710 -11.695 320 H PHE 45 H PHE 45 -2.913 3.034 -4.826 321 HA PHE 45 HA PHE 45 -2.808 0.530 -3.557 322 1HB PHE 45 2HB PHE 45 -2.282 3.273 -2.823 323 2HB PHE 45 3HB PHE 45 -3.143 2.497 -1.515 324 HD1 PHE 45 2HD PHE 45 -0.360 1.714 -3.915 325 HD2 PHE 45 1HD PHE 45 -1.842 1.406 0.117 326 HE1 PHE 45 2HE PHE 45 1.797 0.711 -3.183 327 HE2 PHE 45 1HE PHE 45 0.336 0.379 0.811 328 HZ PHE 45 HZ PHE 45 2.119 0.006 -0.845 329 HA PRO 46 HA PRO 46 -6.974 0.973 -1.358 330 1HB PRO 46 2HB PRO 46 -8.755 2.976 -1.821 331 2HB PRO 46 3HB PRO 46 -7.336 3.175 -0.761 332 1HG PRO 46 2HG PRO 46 -7.584 3.987 -3.672 333 2HG PRO 46 3HG PRO 46 -6.991 4.967 -2.292 334 1HD PRO 46 2HD PRO 46 -5.316 3.629 -3.976 335 2HD PRO 46 3HD PRO 46 -4.945 3.830 -2.240 336 H ILE 47 H ILE 47 -6.947 -0.821 -2.893 337 HA ILE 47 HA ILE 47 -9.367 -0.823 -4.666 338 HB ILE 47 HB ILE 47 -8.219 -2.487 -6.120 339 1HG1 ILE 47 2HG1 ILE 47 -5.622 -1.503 -4.856 340 2HG1 ILE 47 3HG1 ILE 47 -6.337 -3.052 -4.493 341 1HG2 ILE 47 1HG2 ILE 47 -7.088 0.331 -6.045 342 2HG2 ILE 47 2HG2 ILE 47 -7.092 -0.747 -7.452 343 3HG2 ILE 47 3HG2 ILE 47 -8.617 -0.176 -6.775 344 1HD1 ILE 47 1HD1 ILE 47 -4.621 -3.373 -6.141 345 2HD1 ILE 47 2HD1 ILE 47 -6.193 -3.707 -6.889 346 3HD1 ILE 47 3HD1 ILE 47 -5.346 -2.177 -7.229 347 H ASN 48 H ASN 48 -10.204 -1.381 -2.502 348 HA ASN 48 HA ASN 48 -11.111 -2.835 -0.989 349 1HB ASN 48 2HB ASN 48 -11.118 -4.751 -3.346 350 2HB ASN 48 3HB ASN 48 -12.164 -4.827 -1.934 351 1HD2 ASN 48 1HD2 ASN 48 -12.462 -4.256 -5.047 352 2HD2 ASN 48 2HD2 ASN 48 -13.609 -2.921 -5.010 353 H ILE 49 H ILE 49 -8.987 -2.751 0.114 354 HA ILE 49 HA ILE 49 -6.968 -4.688 -0.022 355 HB ILE 49 HB ILE 49 -7.959 -3.117 2.370 356 1HG1 ILE 49 2HG1 ILE 49 -5.513 -2.773 0.565 357 2HG1 ILE 49 3HG1 ILE 49 -7.017 -1.887 0.347 358 1HG2 ILE 49 1HG2 ILE 49 -5.428 -4.809 2.094 359 2HG2 ILE 49 2HG2 ILE 49 -5.755 -3.681 3.427 360 3HG2 ILE 49 3HG2 ILE 49 -6.762 -5.093 3.230 361 1HD1 ILE 49 1HD1 ILE 49 -6.772 -0.834 2.558 362 2HD1 ILE 49 2HD1 ILE 49 -5.228 -1.674 2.803 363 3HD1 ILE 49 3HD1 ILE 49 -5.384 -0.511 1.490 364 H VAL 50 H VAL 50 -9.986 -4.888 1.832 365 HA VAL 50 HA VAL 50 -9.560 -7.395 3.105 366 HB VAL 50 HB VAL 50 -12.222 -6.257 2.168 367 1HG1 VAL 50 1HG1 VAL 50 -12.416 -8.603 2.903 368 2HG1 VAL 50 2HG1 VAL 50 -11.524 -8.227 4.397 369 3HG1 VAL 50 3HG1 VAL 50 -13.132 -7.529 4.105 370 1HG2 VAL 50 1HG2 VAL 50 -10.688 -5.819 4.773 371 2HG2 VAL 50 2HG2 VAL 50 -11.069 -4.584 3.554 372 3HG2 VAL 50 3HG2 VAL 50 -12.370 -5.325 4.481 373 H ALA 51 H ALA 51 -10.820 -6.714 -0.179 374 HA ALA 51 HA ALA 51 -11.497 -9.456 -0.790 375 1HB ALA 51 1HB ALA 51 -10.890 -7.150 -2.690 376 2HB ALA 51 2HB ALA 51 -11.721 -8.662 -3.081 377 3HB ALA 51 3HB ALA 51 -12.480 -7.504 -1.972 378 H VAL 52 H VAL 52 -8.635 -7.432 -1.688 379 HA VAL 52 HA VAL 52 -7.322 -9.628 -3.023 380 HB VAL 52 HB VAL 52 -5.339 -8.320 -3.181 381 1HG1 VAL 52 1HG1 VAL 52 -7.741 -6.488 -3.551 382 2HG1 VAL 52 2HG1 VAL 52 -6.182 -6.393 -4.385 383 3HG1 VAL 52 3HG1 VAL 52 -7.250 -7.776 -4.675 384 1HG2 VAL 52 1HG2 VAL 52 -6.614 -6.315 -1.304 385 2HG2 VAL 52 2HG2 VAL 52 -5.177 -7.303 -0.948 386 3HG2 VAL 52 3HG2 VAL 52 -5.107 -6.070 -2.210 387 H LYS 53 H LYS 53 -7.221 -8.636 0.374 388 HA LYS 53 HA LYS 53 -5.057 -10.508 0.980 389 1HB LYS 53 2HB LYS 53 -4.998 -9.637 3.057 390 2HB LYS 53 3HB LYS 53 -5.708 -8.287 2.203 391 1HG LYS 53 2HG LYS 53 -7.989 -9.099 3.013 392 2HG LYS 53 3HG LYS 53 -7.134 -10.351 3.930 393 1HD LYS 53 2HD LYS 53 -5.773 -8.359 4.942 394 2HD LYS 53 3HD LYS 53 -7.079 -7.348 4.308 395 1HE LYS 53 2HE LYS 53 -7.598 -7.825 6.598 396 2HE LYS 53 3HE LYS 53 -8.718 -8.770 5.606 397 1HZ LYS 53 1HZ LYS 53 -7.278 -10.716 5.979 398 2HZ LYS 53 2HZ LYS 53 -7.758 -10.102 7.411 399 3HZ LYS 53 3HZ LYS 53 -6.256 -9.842 6.919 400 H ASN 54 H ASN 54 -8.585 -10.731 1.102 401 HA ASN 54 HA ASN 54 -8.524 -13.398 2.336 402 1HB ASN 54 2HB ASN 54 -10.776 -11.734 1.140 403 2HB ASN 54 3HB ASN 54 -10.998 -13.314 1.874 404 1HD2 ASN 54 1HD2 ASN 54 -12.508 -11.508 3.008 405 2HD2 ASN 54 2HD2 ASN 54 -11.828 -11.027 4.561 406 H ASP 55 H ASP 55 -7.366 -12.680 -0.535 407 HA ASP 55 HA ASP 55 -8.696 -14.242 -2.475 408 1HB ASP 55 2HB ASP 55 -7.033 -12.512 -2.938 409 2HB ASP 55 3HB ASP 55 -5.768 -13.477 -2.170 410 H HIS 56 H HIS 56 -6.068 -15.180 -0.293 411 HA HIS 56 HA HIS 56 -4.994 -17.094 0.191 412 1HB HIS 56 2HB HIS 56 -6.353 -18.609 1.400 413 2HB HIS 56 3HB HIS 56 -6.967 -16.982 1.609 414 HD1 HIS 56 1HD HIS 56 -7.839 -20.001 -0.694 415 HD2 HIS 56 2HD HIS 56 -9.556 -16.872 1.535 416 HE1 HIS 56 1HE HIS 56 -10.382 -20.301 -0.876 417 H ASP 57 H ASP 57 -5.322 -17.068 -2.810 418 HA ASP 57 HA ASP 57 -5.688 -19.800 -3.658 419 1HB ASP 57 2HB ASP 57 -4.420 -17.341 -4.888 420 2HB ASP 57 3HB ASP 57 -4.175 -18.900 -5.642 421 H PHE 58 H PHE 58 -2.961 -18.358 -2.095 422 HA PHE 58 HA PHE 58 -1.263 -20.753 -2.679 423 1HB PHE 58 2HB PHE 58 -0.335 -17.861 -2.651 424 2HB PHE 58 3HB PHE 58 0.683 -19.267 -2.912 425 HD1 PHE 58 1HD PHE 58 -0.248 -20.912 -4.903 426 HD2 PHE 58 2HD PHE 58 -0.857 -16.650 -4.598 427 HE1 PHE 58 1HE PHE 58 -0.575 -20.780 -7.359 428 HE2 PHE 58 2HE PHE 58 -1.172 -16.524 -7.055 429 HZ PHE 58 HZ PHE 58 -1.034 -18.587 -8.440 430 H LEU 59 H LEU 59 0.777 -20.626 -1.291 431 HA LEU 59 HA LEU 59 0.100 -20.838 1.523 432 1HB LEU 59 2HB LEU 59 2.802 -21.005 0.105 433 2HB LEU 59 3HB LEU 59 2.466 -21.449 1.767 434 HG LEU 59 HG LEU 59 0.676 -23.097 0.666 435 1HD1 LEU 59 1HD1 LEU 59 1.088 -22.484 -1.709 436 2HD1 LEU 59 2HD1 LEU 59 1.608 -24.133 -1.393 437 3HD1 LEU 59 3HD1 LEU 59 2.817 -22.838 -1.503 438 1HD2 LEU 59 1HD2 LEU 59 2.542 -23.771 2.106 439 2HD2 LEU 59 2HD2 LEU 59 3.676 -23.618 0.742 440 3HD2 LEU 59 3HD2 LEU 59 2.401 -24.860 0.720 441 H GLU 60 H GLU 60 2.109 -19.899 2.959 442 HA GLU 60 HA GLU 60 2.879 -18.136 4.147 443 1HB GLU 60 2HB GLU 60 3.176 -16.786 1.442 444 2HB GLU 60 3HB GLU 60 3.943 -16.283 2.947 445 1HG GLU 60 2HG GLU 60 5.150 -18.412 3.108 446 2HG GLU 60 3HG GLU 60 4.381 -18.998 1.632 447 H LYS 61 H LYS 61 -0.041 -18.239 3.600 448 HA LYS 61 HA LYS 61 -1.220 -15.694 3.536 449 1HB LYS 61 2HB LYS 61 -3.202 -16.656 4.120 450 2HB LYS 61 3HB LYS 61 -2.342 -18.003 3.411 451 1HG LYS 61 2HG LYS 61 -2.814 -17.453 6.377 452 2HG LYS 61 3HG LYS 61 -3.638 -18.644 5.396 453 1HD LYS 61 2HD LYS 61 -0.670 -18.759 6.089 454 2HD LYS 61 3HD LYS 61 -1.959 -19.588 6.953 455 1HE LYS 61 2HE LYS 61 -2.580 -20.815 4.884 456 2HE LYS 61 3HE LYS 61 -1.254 -20.033 4.019 457 1HZ LYS 61 1HZ LYS 61 -0.958 -21.811 6.387 458 2HZ LYS 61 2HZ LYS 61 0.290 -21.081 5.632 459 3HZ LYS 61 3HZ LYS 61 -0.591 -22.220 4.856 460 H ASP 62 H ASP 62 0.645 -16.916 6.116 461 HA ASP 62 HA ASP 62 -0.369 -15.291 8.281 462 1HB ASP 62 2HB ASP 62 1.723 -15.940 9.386 463 2HB ASP 62 3HB ASP 62 0.877 -17.319 8.698 464 H LEU 63 H LEU 63 1.746 -14.570 5.558 465 HA LEU 63 HA LEU 63 2.569 -11.949 6.671 466 1HB LEU 63 2HB LEU 63 3.099 -13.535 4.168 467 2HB LEU 63 3HB LEU 63 3.172 -11.792 4.019 468 HG LEU 63 HG LEU 63 4.762 -13.301 6.132 469 1HD1 LEU 63 1HD1 LEU 63 5.575 -12.399 3.338 470 2HD1 LEU 63 2HD1 LEU 63 5.472 -14.071 3.923 471 3HD1 LEU 63 3HD1 LEU 63 6.696 -12.979 4.592 472 1HD2 LEU 63 1HD2 LEU 63 6.132 -11.209 6.097 473 2HD2 LEU 63 2HD2 LEU 63 4.471 -10.896 6.600 474 3HD2 LEU 63 3HD2 LEU 63 4.984 -10.491 4.948 475 H VAL 64 H VAL 64 -0.154 -13.236 5.005 476 HA VAL 64 HA VAL 64 -0.896 -10.749 3.660 477 HB VAL 64 HB VAL 64 -2.403 -13.372 3.923 478 1HG1 VAL 64 1HG1 VAL 64 -3.982 -11.676 3.319 479 2HG1 VAL 64 2HG1 VAL 64 -2.862 -10.971 2.123 480 3HG1 VAL 64 3HG1 VAL 64 -3.571 -12.577 1.861 481 1HG2 VAL 64 1HG2 VAL 64 -1.594 -13.753 1.605 482 2HG2 VAL 64 2HG2 VAL 64 -0.659 -12.244 1.680 483 3HG2 VAL 64 3HG2 VAL 64 -0.234 -13.621 2.715 484 H GLU 65 H GLU 65 -1.404 -11.983 6.819 485 HA GLU 65 HA GLU 65 -3.572 -10.172 7.559 486 1HB GLU 65 2HB GLU 65 -1.599 -11.876 9.058 487 2HB GLU 65 3HB GLU 65 -2.382 -10.549 9.918 488 1HG GLU 65 2HG GLU 65 -3.927 -12.672 8.377 489 2HG GLU 65 3HG GLU 65 -3.503 -12.817 10.081 490 HA PRO 66 HA PRO 66 -0.315 -7.051 9.030 491 1HB PRO 66 2HB PRO 66 2.372 -7.355 8.473 492 2HB PRO 66 3HB PRO 66 1.561 -7.945 9.955 493 1HG PRO 66 2HG PRO 66 2.183 -9.499 7.431 494 2HG PRO 66 3HG PRO 66 2.487 -9.982 9.130 495 1HD PRO 66 2HD PRO 66 0.315 -10.866 7.791 496 2HD PRO 66 3HD PRO 66 0.196 -10.399 9.511 497 H LEU 67 H LEU 67 0.022 -8.501 5.849 498 HA LEU 67 HA LEU 67 0.782 -6.294 4.275 499 1HB LEU 67 2HB LEU 67 0.363 -8.554 3.395 500 2HB LEU 67 3HB LEU 67 -1.347 -8.413 3.804 501 HG LEU 67 HG LEU 67 -1.602 -6.590 2.136 502 1HD1 LEU 67 1HD1 LEU 67 0.712 -5.749 2.063 503 2HD1 LEU 67 2HD1 LEU 67 0.172 -6.246 0.457 504 3HD1 LEU 67 3HD1 LEU 67 1.263 -7.300 1.380 505 1HD2 LEU 67 1HD2 LEU 67 -2.110 -8.896 1.526 506 2HD2 LEU 67 2HD2 LEU 67 -0.415 -9.174 1.053 507 3HD2 LEU 67 3HD2 LEU 67 -1.430 -8.023 0.149 508 H CYS 68 H CYS 68 -2.396 -6.966 5.744 509 HA CYS 68 HA CYS 68 -3.897 -4.863 4.583 510 1HB CYS 68 2HB CYS 68 -4.664 -6.852 6.011 511 2HB CYS 68 3HB CYS 68 -4.185 -5.923 7.430 512 HG CYS 68 HG CYS 68 -5.643 -3.735 6.637 513 H ARG 69 H ARG 69 -1.780 -4.827 7.424 514 HA ARG 69 HA ARG 69 -2.378 -2.135 8.342 515 1HB ARG 69 2HB ARG 69 0.194 -3.721 8.784 516 2HB ARG 69 3HB ARG 69 -0.389 -2.370 9.741 517 1HG ARG 69 2HG ARG 69 -1.766 -5.085 9.527 518 2HG ARG 69 3HG ARG 69 -0.690 -4.600 10.826 519 1HD ARG 69 2HD ARG 69 -2.196 -2.975 11.663 520 2HD ARG 69 3HD ARG 69 -3.174 -2.968 10.202 521 HE ARG 69 HE ARG 69 -3.148 -5.069 12.315 522 1HH1 ARG 69 1HH1 ARG 69 -4.666 -3.907 9.393 523 2HH1 ARG 69 2HH1 ARG 69 -5.951 -5.080 9.475 524 1HH2 ARG 69 1HH2 ARG 69 -4.803 -6.541 12.371 525 2HH2 ARG 69 2HH2 ARG 69 -6.013 -6.533 11.125 526 H ARG 70 H ARG 70 0.318 -3.407 6.400 527 HA ARG 70 HA ARG 70 1.515 -0.819 5.875 528 1HB ARG 70 2HB ARG 70 1.725 -3.423 4.287 529 2HB ARG 70 3HB ARG 70 2.729 -2.004 4.042 530 1HG ARG 70 2HG ARG 70 2.724 -3.884 6.417 531 2HG ARG 70 3HG ARG 70 4.031 -3.477 5.302 532 1HD ARG 70 2HD ARG 70 3.877 -1.080 6.254 533 2HD ARG 70 3HD ARG 70 2.896 -1.793 7.546 534 HE ARG 70 HE ARG 70 5.294 -3.317 7.263 535 1HH1 ARG 70 1HH1 ARG 70 4.347 -0.167 8.453 536 2HH1 ARG 70 2HH1 ARG 70 5.715 -0.057 9.524 537 1HH2 ARG 70 1HH2 ARG 70 7.033 -3.105 8.614 538 2HH2 ARG 70 2HH2 ARG 70 7.220 -1.673 9.578 539 H LEU 71 H LEU 71 -0.829 -2.676 3.938 540 HA LEU 71 HA LEU 71 -1.045 -0.700 1.858 541 1HB LEU 71 2HB LEU 71 -3.030 -2.794 2.770 542 2HB LEU 71 3HB LEU 71 -3.196 -1.795 1.323 543 HG LEU 71 HG LEU 71 -0.979 -3.827 1.804 544 1HD1 LEU 71 1HD1 LEU 71 -3.342 -3.830 -0.115 545 2HD1 LEU 71 2HD1 LEU 71 -3.187 -4.824 1.353 546 3HD1 LEU 71 3HD1 LEU 71 -2.080 -5.075 -0.002 547 1HD2 LEU 71 1HD2 LEU 71 -0.061 -2.083 0.418 548 2HD2 LEU 71 2HD2 LEU 71 -1.517 -2.064 -0.609 549 3HD2 LEU 71 3HD2 LEU 71 -0.434 -3.475 -0.590 550 H ASN 72 H ASN 72 -3.055 -1.114 4.825 551 HA ASN 72 HA ASN 72 -4.658 1.199 4.368 552 1HB ASN 72 2HB ASN 72 -5.207 -0.652 5.929 553 2HB ASN 72 3HB ASN 72 -3.895 -0.141 6.995 554 1HD2 ASN 72 1HD2 ASN 72 -4.692 1.021 8.745 555 2HD2 ASN 72 2HD2 ASN 72 -6.080 2.092 8.630 556 H THR 73 H THR 73 -1.463 0.928 5.892 557 HA THR 73 HA THR 73 -1.262 3.530 7.037 558 HB THR 73 HB THR 73 0.946 1.847 5.789 559 HG1 THR 73 1HG THR 73 -0.141 0.863 7.523 560 1HG2 THR 73 1HG2 THR 73 1.109 4.194 7.727 561 2HG2 THR 73 2HG2 THR 73 1.778 4.132 6.079 562 3HG2 THR 73 3HG2 THR 73 2.448 3.091 7.337 563 H LEU 74 H LEU 74 -0.332 2.491 3.717 564 HA LEU 74 HA LEU 74 0.276 5.210 2.873 565 1HB LEU 74 2HB LEU 74 0.300 2.494 1.688 566 2HB LEU 74 3HB LEU 74 -0.066 3.783 0.543 567 HG LEU 74 HG LEU 74 1.982 4.982 1.148 568 1HD1 LEU 74 1HD1 LEU 74 3.709 3.728 2.500 569 2HD1 LEU 74 2HD1 LEU 74 2.406 2.648 3.048 570 3HD1 LEU 74 3HD1 LEU 74 2.359 4.379 3.447 571 1HD2 LEU 74 1HD2 LEU 74 1.989 3.171 -0.625 572 2HD2 LEU 74 2HD2 LEU 74 2.658 2.069 0.599 573 3HD2 LEU 74 3HD2 LEU 74 3.560 3.517 0.105 574 H ASN 75 H ASN 75 -2.740 3.361 2.835 575 HA ASN 75 HA ASN 75 -4.168 4.949 0.969 576 1HB ASN 75 2HB ASN 75 -5.085 3.488 3.470 577 2HB ASN 75 3HB ASN 75 -6.188 4.429 2.486 578 1HD2 ASN 75 1HD2 ASN 75 -7.139 2.124 2.536 579 2HD2 ASN 75 2HD2 ASN 75 -6.673 1.166 1.132 580 H LYS 76 H LYS 76 -3.384 5.715 4.345 581 HA LYS 76 HA LYS 76 -4.942 8.057 4.712 582 1HB LYS 76 2HB LYS 76 -3.481 6.832 6.424 583 2HB LYS 76 3HB LYS 76 -2.092 7.674 5.727 584 1HG LYS 76 2HG LYS 76 -3.332 9.870 6.216 585 2HG LYS 76 3HG LYS 76 -4.533 8.896 7.082 586 1HD LYS 76 2HD LYS 76 -2.664 8.044 8.573 587 2HD LYS 76 3HD LYS 76 -1.551 9.098 7.693 588 1HE LYS 76 2HE LYS 76 -2.076 10.322 9.625 589 2HE LYS 76 3HE LYS 76 -3.038 11.067 8.348 590 1HZ LYS 76 1HZ LYS 76 -4.958 9.767 9.169 591 2HZ LYS 76 2HZ LYS 76 -4.350 10.701 10.360 592 3HZ LYS 76 3HZ LYS 76 -4.039 9.102 10.348 593 H CYS 77 H CYS 77 -1.675 7.793 3.341 594 HA CYS 77 HA CYS 77 -1.478 10.577 2.537 595 1HB CYS 77 2HB CYS 77 0.136 8.116 1.723 596 2HB CYS 77 3HB CYS 77 0.574 9.797 1.378 597 HG CYS 77 HG CYS 77 0.638 10.605 3.883 598 H ALA 78 H ALA 78 -2.331 7.559 0.773 599 HA ALA 78 HA ALA 78 -2.384 8.635 -1.829 600 1HB ALA 78 1HB ALA 78 -2.463 6.214 -1.243 601 2HB ALA 78 2HB ALA 78 -4.150 6.422 -0.705 602 3HB ALA 78 3HB ALA 78 -3.721 6.678 -2.405 603 H SER 79 H SER 79 -4.993 8.675 0.615 604 HA SER 79 HA SER 79 -6.987 9.903 -1.066 605 1HB SER 79 2HB SER 79 -6.699 9.778 1.958 606 2HB SER 79 3HB SER 79 -8.143 10.354 1.100 607 HG SER 79 HG SER 79 -8.246 8.109 1.692 608 H MET 80 H MET 80 -4.148 11.363 0.184 609 HA MET 80 HA MET 80 -5.314 14.025 0.624 610 1HB MET 80 2HB MET 80 -2.418 13.109 0.544 611 2HB MET 80 3HB MET 80 -2.948 14.760 0.856 612 1HG MET 80 2HG MET 80 -3.787 12.358 2.518 613 2HG MET 80 3HG MET 80 -2.468 13.450 2.930 614 1HE MET 80 1HE MET 80 -5.473 14.116 5.499 615 2HE MET 80 2HE MET 80 -5.269 12.588 4.615 616 3HE MET 80 3HE MET 80 -3.852 13.408 5.311 617 H LYS 81 H LYS 81 -6.196 14.835 -1.047 618 HA LYS 81 HA LYS 81 -5.529 14.805 -3.792 619 1HB LYS 81 2HB LYS 81 -7.138 16.616 -3.978 620 2HB LYS 81 3HB LYS 81 -7.709 15.389 -2.856 621 1HG LYS 81 2HG LYS 81 -6.385 17.195 -1.158 622 2HG LYS 81 3HG LYS 81 -7.052 18.253 -2.392 623 1HD LYS 81 2HD LYS 81 -8.587 16.225 -0.707 624 2HD LYS 81 3HD LYS 81 -8.538 17.972 -0.435 625 1HE LYS 81 2HE LYS 81 -9.625 18.373 -2.614 626 2HE LYS 81 3HE LYS 81 -9.637 16.636 -2.950 627 1HZ LYS 81 1HZ LYS 81 -11.072 17.932 -0.693 628 2HZ LYS 81 2HZ LYS 81 -11.084 16.331 -1.019 629 3HZ LYS 81 3HZ LYS 81 -11.772 17.380 -2.059 Start of MODEL 8 1 1H MET 1 1H MET 1 -9.359 -25.376 15.475 2 2H MET 1 2H MET 1 -10.091 -26.820 15.280 3 3H MET 1 3H MET 1 -8.693 -26.507 14.494 4 HA MET 1 HA MET 1 -9.043 -26.673 17.408 5 1HB MET 1 2HB MET 1 -8.108 -28.788 17.523 6 2HB MET 1 3HB MET 1 -9.298 -28.874 16.239 7 1HG MET 1 2HG MET 1 -7.325 -28.599 14.594 8 2HG MET 1 3HG MET 1 -6.275 -28.816 15.999 9 1HE MET 1 1HE MET 1 -9.414 -30.534 14.210 10 2HE MET 1 2HE MET 1 -8.017 -30.447 13.110 11 3HE MET 1 3HE MET 1 -8.589 -32.022 13.693 12 H HIS 2 H HIS 2 -6.430 -26.547 14.867 13 HA HIS 2 HA HIS 2 -4.534 -25.640 16.930 14 1HB HIS 2 2HB HIS 2 -4.034 -27.565 15.463 15 2HB HIS 2 3HB HIS 2 -4.154 -26.526 14.046 16 HD1 HIS 2 1HD HIS 2 -1.765 -25.891 13.240 17 HD2 HIS 2 2HD HIS 2 -2.122 -26.357 17.419 18 HE1 HIS 2 1HE HIS 2 0.557 -25.480 14.206 19 H HIS 3 H HIS 3 -4.794 -23.497 17.315 20 HA HIS 3 HA HIS 3 -4.224 -21.580 15.131 21 1HB HIS 3 2HB HIS 3 -6.740 -21.876 15.377 22 2HB HIS 3 3HB HIS 3 -6.596 -21.247 17.017 23 HD1 HIS 3 1HD HIS 3 -6.796 -18.615 17.158 24 HD2 HIS 3 2HD HIS 3 -5.784 -20.126 13.350 25 HE1 HIS 3 1HE HIS 3 -6.814 -16.626 15.575 26 H HIS 4 H HIS 4 -3.614 -19.443 15.939 27 HA HIS 4 HA HIS 4 -1.937 -19.575 18.330 28 1HB HIS 4 2HB HIS 4 -2.507 -17.310 16.380 29 2HB HIS 4 3HB HIS 4 -1.287 -17.283 17.654 30 HD1 HIS 4 1HD HIS 4 -0.969 -17.362 14.236 31 HD2 HIS 4 2HD HIS 4 0.073 -20.155 17.226 32 HE1 HIS 4 1HE HIS 4 0.866 -18.816 13.247 33 H HIS 5 H HIS 5 -2.542 -19.097 20.321 34 HA HIS 5 HA HIS 5 -4.428 -16.898 20.894 35 1HB HIS 5 2HB HIS 5 -5.838 -18.148 22.317 36 2HB HIS 5 3HB HIS 5 -5.772 -19.011 20.794 37 HD1 HIS 5 1HD HIS 5 -5.415 -19.611 24.433 38 HD2 HIS 5 2HD HIS 5 -3.945 -21.250 20.830 39 HE1 HIS 5 1HE HIS 5 -4.583 -21.948 24.996 40 H HIS 6 H HIS 6 -4.493 -16.531 23.350 41 HA HIS 6 HA HIS 6 -3.341 -15.519 25.038 42 1HB HIS 6 2HB HIS 6 -2.095 -18.280 25.201 43 2HB HIS 6 3HB HIS 6 -2.083 -17.078 26.486 44 HD1 HIS 6 1HD HIS 6 -3.418 -19.904 26.942 45 HD2 HIS 6 2HD HIS 6 -5.372 -16.324 25.862 46 HE1 HIS 6 1HE HIS 6 -5.842 -20.147 27.705 47 H HIS 7 H HIS 7 -2.256 -14.644 22.740 48 HA HIS 7 HA HIS 7 0.705 -14.614 23.083 49 1HB HIS 7 2HB HIS 7 0.694 -13.568 20.822 50 2HB HIS 7 3HB HIS 7 0.071 -15.207 20.907 51 HD1 HIS 7 1HD HIS 7 -2.458 -15.589 20.194 52 HD2 HIS 7 2HD HIS 7 -1.119 -11.596 20.181 53 HE1 HIS 7 1HE HIS 7 -4.301 -14.223 19.079 54 H SER 8 H SER 8 -2.012 -12.306 22.893 55 HA SER 8 HA SER 8 -2.207 -10.080 23.289 56 1HB SER 8 2HB SER 8 -0.534 -10.821 25.706 57 2HB SER 8 3HB SER 8 -1.626 -9.429 25.566 58 HG SER 8 HG SER 8 -2.639 -11.203 26.603 59 H SER 9 H SER 9 0.090 -10.552 21.536 60 HA SER 9 HA SER 9 2.271 -8.791 22.169 61 1HB SER 9 2HB SER 9 2.804 -9.137 19.728 62 2HB SER 9 3HB SER 9 2.625 -10.618 20.678 63 HG SER 9 HG SER 9 1.516 -10.573 18.579 64 H GLY 10 H GLY 10 2.928 -6.955 20.827 65 1HA GLY 10 2HA GLY 10 0.967 -5.355 19.379 66 2HA GLY 10 1HA GLY 10 1.403 -4.674 20.949 67 H LEU 11 H LEU 11 1.980 -4.131 17.929 68 HA LEU 11 HA LEU 11 4.791 -3.275 18.195 69 1HB LEU 11 2HB LEU 11 5.467 -4.414 16.119 70 2HB LEU 11 3HB LEU 11 5.169 -5.488 17.455 71 HG LEU 11 HG LEU 11 2.955 -5.081 15.427 72 1HD1 LEU 11 1HD1 LEU 11 5.380 -6.899 15.085 73 2HD1 LEU 11 2HD1 LEU 11 4.957 -5.503 14.068 74 3HD1 LEU 11 3HD1 LEU 11 3.914 -6.934 14.079 75 1HD2 LEU 11 1HD2 LEU 11 2.517 -7.473 15.920 76 2HD2 LEU 11 2HD2 LEU 11 2.497 -6.543 17.412 77 3HD2 LEU 11 3HD2 LEU 11 3.920 -7.520 17.006 78 H VAL 12 H VAL 12 2.504 -1.720 18.107 79 HA VAL 12 HA VAL 12 2.903 -0.158 15.597 80 HB VAL 12 HB VAL 12 0.957 -1.344 15.187 81 1HG1 VAL 12 1HG1 VAL 12 -1.112 -1.233 16.437 82 2HG1 VAL 12 2HG1 VAL 12 0.160 -1.947 17.433 83 3HG1 VAL 12 3HG1 VAL 12 -0.354 -0.268 17.710 84 1HG2 VAL 12 1HG2 VAL 12 0.143 1.495 15.891 85 2HG2 VAL 12 2HG2 VAL 12 1.067 1.015 14.451 86 3HG2 VAL 12 3HG2 VAL 12 -0.588 0.429 14.681 87 HA PRO 13 HA PRO 13 3.506 2.855 19.021 88 1HB PRO 13 2HB PRO 13 5.701 4.115 18.020 89 2HB PRO 13 3HB PRO 13 5.803 2.546 18.870 90 1HG PRO 13 2HG PRO 13 5.705 3.036 15.877 91 2HG PRO 13 3HG PRO 13 6.865 2.019 16.794 92 1HD PRO 13 2HD PRO 13 4.655 0.994 15.562 93 2HD PRO 13 3HD PRO 13 5.271 0.316 17.098 94 H ARG 14 H ARG 14 3.802 5.335 18.681 95 HA ARG 14 HA ARG 14 2.119 6.306 16.395 96 1HB ARG 14 2HB ARG 14 1.068 6.032 18.803 97 2HB ARG 14 3HB ARG 14 2.016 7.453 19.203 98 1HG ARG 14 2HG ARG 14 -0.121 8.258 18.672 99 2HG ARG 14 3HG ARG 14 0.827 8.631 17.232 100 1HD ARG 14 2HD ARG 14 -0.116 6.708 16.051 101 2HD ARG 14 3HD ARG 14 -0.886 6.111 17.516 102 HE ARG 14 HE ARG 14 -1.846 8.228 15.742 103 1HH1 ARG 14 1HH1 ARG 14 -2.201 6.985 18.998 104 2HH1 ARG 14 2HH1 ARG 14 -3.783 7.688 19.189 105 1HH2 ARG 14 1HH2 ARG 14 -3.864 9.082 16.045 106 2HH2 ARG 14 2HH2 ARG 14 -4.690 8.839 17.554 107 H GLY 15 H GLY 15 2.821 8.051 15.344 108 1HA GLY 15 2HA GLY 15 3.687 10.380 15.569 109 2HA GLY 15 1HA GLY 15 5.066 9.724 16.443 110 H SER 16 H SER 16 5.640 7.499 14.754 111 HA SER 16 HA SER 16 7.291 8.763 12.769 112 1HB SER 16 2HB SER 16 8.066 6.398 12.397 113 2HB SER 16 3HB SER 16 8.151 6.962 14.067 114 HG SER 16 HG SER 16 7.242 4.842 13.860 115 H GLN 17 H GLN 17 4.400 8.949 12.153 116 HA GLN 17 HA GLN 17 3.422 7.038 10.390 117 1HB GLN 17 2HB GLN 17 2.202 8.862 11.594 118 2HB GLN 17 3HB GLN 17 2.756 10.007 10.366 119 1HG GLN 17 2HG GLN 17 1.511 8.797 8.630 120 2HG GLN 17 3HG GLN 17 1.110 7.503 9.769 121 1HE2 GLN 17 1HE2 GLN 17 -0.434 7.991 11.544 122 2HE2 GLN 17 2HE2 GLN 17 -1.488 9.392 11.386 123 H GLU 18 H GLU 18 5.419 9.858 9.448 124 HA GLU 18 HA GLU 18 5.173 9.276 6.588 125 1HB GLU 18 2HB GLU 18 6.783 11.016 6.239 126 2HB GLU 18 3HB GLU 18 5.554 11.549 7.380 127 1HG GLU 18 2HG GLU 18 7.129 11.151 9.267 128 2HG GLU 18 3HG GLU 18 8.359 10.600 8.124 129 H ILE 19 H ILE 19 7.167 7.947 9.073 130 HA ILE 19 HA ILE 19 9.222 6.914 7.197 131 HB ILE 19 HB ILE 19 8.994 6.455 10.198 132 1HG1 ILE 19 2HG1 ILE 19 11.170 8.074 9.942 133 2HG1 ILE 19 3HG1 ILE 19 10.226 8.706 8.605 134 1HG2 ILE 19 1HG2 ILE 19 11.282 6.015 8.232 135 2HG2 ILE 19 2HG2 ILE 19 11.375 5.805 9.994 136 3HG2 ILE 19 3HG2 ILE 19 10.339 4.746 9.050 137 1HD1 ILE 19 1HD1 ILE 19 9.394 8.525 11.539 138 2HD1 ILE 19 2HD1 ILE 19 9.845 9.993 10.654 139 3HD1 ILE 19 3HD1 ILE 19 8.342 9.149 10.250 140 H GLU 20 H GLU 20 6.388 5.812 9.033 141 HA GLU 20 HA GLU 20 6.502 3.025 8.453 142 1HB GLU 20 2HB GLU 20 4.085 4.871 8.599 143 2HB GLU 20 3HB GLU 20 3.994 3.117 8.443 144 1HG GLU 20 2HG GLU 20 5.300 2.880 10.564 145 2HG GLU 20 3HG GLU 20 5.201 4.629 10.784 146 H ALA 21 H ALA 21 5.739 5.717 6.278 147 HA ALA 21 HA ALA 21 4.723 4.122 4.144 148 1HB ALA 21 1HB ALA 21 4.373 6.564 4.302 149 2HB ALA 21 2HB ALA 21 6.109 6.835 4.020 150 3HB ALA 21 3HB ALA 21 5.103 6.111 2.751 151 H LYS 22 H LYS 22 8.037 5.298 4.776 152 HA LYS 22 HA LYS 22 9.345 4.060 2.532 153 1HB LYS 22 2HB LYS 22 10.357 5.820 4.018 154 2HB LYS 22 3HB LYS 22 10.490 4.615 5.305 155 1HG LYS 22 2HG LYS 22 11.933 3.213 3.730 156 2HG LYS 22 3HG LYS 22 11.830 4.534 2.563 157 1HD LYS 22 2HD LYS 22 13.924 4.728 3.687 158 2HD LYS 22 3HD LYS 22 12.904 6.046 4.287 159 1HE LYS 22 2HE LYS 22 12.385 4.698 6.323 160 2HE LYS 22 3HE LYS 22 13.358 3.365 5.690 161 1HZ LYS 22 1HZ LYS 22 15.308 4.826 5.791 162 2HZ LYS 22 2HZ LYS 22 14.625 4.703 7.266 163 3HZ LYS 22 3HZ LYS 22 14.412 6.058 6.381 164 H GLU 23 H GLU 23 8.843 2.912 5.862 165 HA GLU 23 HA GLU 23 9.951 0.295 5.596 166 1HB GLU 23 2HB GLU 23 7.646 1.297 7.309 167 2HB GLU 23 3HB GLU 23 8.248 -0.360 7.317 168 1HG GLU 23 2HG GLU 23 10.480 0.422 8.009 169 2HG GLU 23 3HG GLU 23 9.872 2.083 8.067 170 H ALA 24 H ALA 24 6.520 1.310 5.018 171 HA ALA 24 HA ALA 24 5.544 -1.234 4.314 172 1HB ALA 24 1HB ALA 24 3.727 0.074 3.195 173 2HB ALA 24 2HB ALA 24 4.096 0.663 4.832 174 3HB ALA 24 3HB ALA 24 4.694 1.543 3.412 175 H CYS 25 H CYS 25 6.764 1.298 2.047 176 HA CYS 25 HA CYS 25 6.511 -0.210 -0.343 177 1HB CYS 25 2HB CYS 25 8.491 1.954 0.487 178 2HB CYS 25 3HB CYS 25 8.374 1.311 -1.161 179 HG CYS 25 HG CYS 25 5.844 1.850 -1.539 180 H ASP 26 H ASP 26 9.355 -0.025 1.853 181 HA ASP 26 HA ASP 26 10.996 -1.877 0.407 182 1HB ASP 26 2HB ASP 26 11.820 -0.236 2.058 183 2HB ASP 26 3HB ASP 26 11.002 -1.113 3.353 184 H TRP 27 H TRP 27 8.760 -2.386 3.153 185 HA TRP 27 HA TRP 27 9.288 -5.150 3.562 186 1HB TRP 27 2HB TRP 27 8.174 -3.679 5.191 187 2HB TRP 27 3HB TRP 27 6.769 -3.551 4.131 188 HD1 TRP 27 HD1 TRP 27 8.521 -5.870 6.564 189 HE1 TRP 27 1HE TRP 27 7.064 -7.938 7.055 190 HE3 TRP 27 3HE TRP 27 4.797 -5.115 3.108 191 HZ2 TRP 27 2HZ TRP 27 4.720 -9.153 6.007 192 HZ3 TRP 27 3HZ TRP 27 2.967 -6.777 2.862 193 HH2 TRP 27 HH2 TRP 27 2.903 -8.791 4.298 194 H LEU 28 H LEU 28 6.771 -3.576 1.540 195 HA LEU 28 HA LEU 28 5.401 -5.912 0.717 196 1HB LEU 28 2HB LEU 28 5.859 -3.197 -0.535 197 2HB LEU 28 3HB LEU 28 4.917 -4.414 -1.389 198 HG LEU 28 HG LEU 28 4.221 -3.491 1.433 199 1HD1 LEU 28 1HD1 LEU 28 2.495 -2.093 0.385 200 2HD1 LEU 28 2HD1 LEU 28 3.098 -2.529 -1.230 201 3HD1 LEU 28 3HD1 LEU 28 4.110 -1.578 -0.119 202 1HD2 LEU 28 1HD2 LEU 28 1.991 -4.387 0.838 203 2HD2 LEU 28 2HD2 LEU 28 3.225 -5.653 0.809 204 3HD2 LEU 28 3HD2 LEU 28 2.634 -4.964 -0.712 205 H ARG 29 H ARG 29 8.110 -4.321 -1.000 206 HA ARG 29 HA ARG 29 8.405 -6.441 -2.952 207 1HB ARG 29 2HB ARG 29 10.531 -5.430 -3.551 208 2HB ARG 29 3HB ARG 29 9.240 -4.235 -3.434 209 1HG ARG 29 2HG ARG 29 10.070 -3.574 -1.193 210 2HG ARG 29 3HG ARG 29 11.433 -4.686 -1.360 211 1HD ARG 29 2HD ARG 29 10.829 -2.386 -3.267 212 2HD ARG 29 3HD ARG 29 11.890 -2.265 -1.856 213 HE ARG 29 HE ARG 29 12.639 -4.454 -3.632 214 1HH1 ARG 29 1HH1 ARG 29 13.092 -1.022 -3.152 215 2HH1 ARG 29 2HH1 ARG 29 14.626 -1.013 -3.979 216 1HH2 ARG 29 1HH2 ARG 29 14.587 -4.387 -4.676 217 2HH2 ARG 29 2HH2 ARG 29 15.438 -2.877 -4.825 218 H ALA 30 H ALA 30 10.047 -5.969 0.199 219 HA ALA 30 HA ALA 30 11.774 -8.226 -0.024 220 1HB ALA 30 1HB ALA 30 10.601 -6.909 2.461 221 2HB ALA 30 2HB ALA 30 12.013 -7.983 2.413 222 3HB ALA 30 3HB ALA 30 12.078 -6.407 1.604 223 H ALA 31 H ALA 31 8.428 -8.029 1.193 224 HA ALA 31 HA ALA 31 8.175 -10.766 2.032 225 1HB ALA 31 1HB ALA 31 6.758 -8.926 2.862 226 2HB ALA 31 2HB ALA 31 6.093 -8.682 1.232 227 3HB ALA 31 3HB ALA 31 5.769 -10.188 2.109 228 H GLY 32 H GLY 32 8.517 -9.576 -1.114 229 1HA GLY 32 2HA GLY 32 8.609 -10.920 -3.037 230 2HA GLY 32 1HA GLY 32 7.513 -12.096 -2.313 231 H PHE 33 H PHE 33 6.386 -8.839 -2.023 232 HA PHE 33 HA PHE 33 4.605 -9.130 -4.409 233 1HB PHE 33 2HB PHE 33 3.788 -8.071 -1.693 234 2HB PHE 33 3HB PHE 33 2.752 -8.348 -3.089 235 HD1 PHE 33 2HD PHE 33 3.130 -10.986 -4.035 236 HD2 PHE 33 1HD PHE 33 3.439 -9.594 0.039 237 HE1 PHE 33 2HE PHE 33 2.685 -13.283 -3.212 238 HE2 PHE 33 1HE PHE 33 2.958 -11.880 0.854 239 HZ PHE 33 HZ PHE 33 2.595 -13.737 -0.766 240 HA PRO 34 HA PRO 34 6.732 -4.914 -4.380 241 1HB PRO 34 2HB PRO 34 7.969 -5.021 -6.823 242 2HB PRO 34 3HB PRO 34 8.703 -5.681 -5.335 243 1HG PRO 34 2HG PRO 34 7.149 -7.189 -7.454 244 2HG PRO 34 3HG PRO 34 8.740 -7.606 -6.740 245 1HD PRO 34 2HD PRO 34 6.441 -8.729 -5.835 246 2HD PRO 34 3HD PRO 34 7.761 -8.281 -4.709 247 H GLN 35 H GLN 35 4.684 -6.689 -6.577 248 HA GLN 35 HA GLN 35 3.849 -4.780 -8.432 249 1HB GLN 35 2HB GLN 35 3.282 -7.135 -8.504 250 2HB GLN 35 3HB GLN 35 2.281 -7.008 -7.062 251 1HG GLN 35 2HG GLN 35 1.569 -5.233 -9.398 252 2HG GLN 35 3HG GLN 35 1.320 -6.961 -9.590 253 1HE2 GLN 35 1HE2 GLN 35 -0.351 -8.048 -8.358 254 2HE2 GLN 35 2HE2 GLN 35 -1.492 -7.088 -7.418 255 H TYR 36 H TYR 36 2.556 -5.241 -5.103 256 HA TYR 36 HA TYR 36 0.679 -3.069 -5.243 257 1HB TYR 36 2HB TYR 36 2.084 -4.358 -2.883 258 2HB TYR 36 3HB TYR 36 0.850 -3.117 -2.721 259 HD1 TYR 36 2HD TYR 36 -1.274 -3.787 -4.569 260 HD2 TYR 36 1HD TYR 36 1.170 -6.400 -2.141 261 HE1 TYR 36 2HE TYR 36 -3.099 -5.471 -4.535 262 HE2 TYR 36 1HE TYR 36 -0.673 -8.062 -2.088 263 HH TYR 36 HH TYR 36 -2.856 -8.499 -2.670 264 H ALA 37 H ALA 37 4.042 -3.105 -3.913 265 HA ALA 37 HA ALA 37 4.126 -0.390 -3.155 266 1HB ALA 37 1HB ALA 37 6.575 -0.650 -3.236 267 2HB ALA 37 2HB ALA 37 5.801 -2.058 -2.492 268 3HB ALA 37 3HB ALA 37 6.400 -2.155 -4.163 269 H GLN 38 H GLN 38 4.881 -1.788 -6.356 270 HA GLN 38 HA GLN 38 5.698 0.644 -7.637 271 1HB GLN 38 2HB GLN 38 4.527 -1.959 -8.694 272 2HB GLN 38 3HB GLN 38 5.063 -0.660 -9.754 273 1HG GLN 38 2HG GLN 38 6.859 -2.059 -7.719 274 2HG GLN 38 3HG GLN 38 6.772 -2.454 -9.429 275 1HE2 GLN 38 1HE2 GLN 38 8.507 -0.593 -7.168 276 2HE2 GLN 38 2HE2 GLN 38 9.208 0.527 -8.331 277 H LEU 39 H LEU 39 2.485 -0.371 -6.755 278 HA LEU 39 HA LEU 39 1.163 1.539 -8.589 279 1HB LEU 39 2HB LEU 39 0.166 -0.506 -6.572 280 2HB LEU 39 3HB LEU 39 -0.900 0.630 -7.346 281 HG LEU 39 HG LEU 39 0.785 -1.440 -8.813 282 1HD1 LEU 39 1HD1 LEU 39 -1.065 -2.396 -7.477 283 2HD1 LEU 39 2HD1 LEU 39 -1.373 -2.549 -9.210 284 3HD1 LEU 39 3HD1 LEU 39 -2.215 -1.296 -8.267 285 1HD2 LEU 39 1HD2 LEU 39 -1.326 0.501 -9.856 286 2HD2 LEU 39 2HD2 LEU 39 -0.654 -0.867 -10.769 287 3HD2 LEU 39 3HD2 LEU 39 0.396 0.465 -10.297 288 H TYR 40 H TYR 40 2.761 1.994 -5.698 289 HA TYR 40 HA TYR 40 0.944 3.604 -4.221 290 1HB TYR 40 2HB TYR 40 3.060 2.785 -3.277 291 2HB TYR 40 3HB TYR 40 3.967 3.765 -4.413 292 HD1 TYR 40 1HD TYR 40 0.926 4.845 -2.421 293 HD2 TYR 40 2HD TYR 40 5.214 5.118 -2.926 294 HE1 TYR 40 1HE TYR 40 1.008 6.690 -0.769 295 HE2 TYR 40 2HE TYR 40 5.282 6.952 -1.252 296 HH TYR 40 HH TYR 40 4.075 8.281 0.164 297 H GLU 41 H GLU 41 3.424 4.692 -6.574 298 HA GLU 41 HA GLU 41 2.549 7.449 -6.579 299 1HB GLU 41 2HB GLU 41 4.200 5.897 -8.615 300 2HB GLU 41 3HB GLU 41 3.988 7.653 -8.586 301 1HG GLU 41 2HG GLU 41 4.967 7.691 -6.265 302 2HG GLU 41 3HG GLU 41 5.326 5.969 -6.426 303 H ASP 42 H ASP 42 1.246 4.673 -8.139 304 HA ASP 42 HA ASP 42 -0.299 6.197 -10.142 305 1HB ASP 42 2HB ASP 42 0.685 3.728 -10.293 306 2HB ASP 42 3HB ASP 42 -0.800 3.300 -9.451 307 H SER 43 H SER 43 -0.548 5.751 -6.867 308 HA SER 43 HA SER 43 -2.063 5.947 -5.252 309 1HB SER 43 2HB SER 43 -3.822 7.295 -7.321 310 2HB SER 43 3HB SER 43 -4.005 7.384 -5.560 311 HG SER 43 HG SER 43 -2.858 9.185 -6.397 312 H GLN 44 H GLN 44 -2.281 3.511 -7.064 313 HA GLN 44 HA GLN 44 -5.107 2.693 -6.747 314 1HB GLN 44 2HB GLN 44 -2.721 1.420 -8.117 315 2HB GLN 44 3HB GLN 44 -4.296 0.642 -8.032 316 1HG GLN 44 2HG GLN 44 -3.708 3.308 -9.349 317 2HG GLN 44 3HG GLN 44 -3.932 1.776 -10.175 318 1HE2 GLN 44 1HE2 GLN 44 -5.505 4.471 -10.123 319 2HE2 GLN 44 2HE2 GLN 44 -7.159 3.898 -9.906 320 H PHE 45 H PHE 45 -3.213 2.923 -4.346 321 HA PHE 45 HA PHE 45 -2.899 0.277 -3.257 322 1HB PHE 45 2HB PHE 45 -2.541 3.043 -2.297 323 2HB PHE 45 3HB PHE 45 -3.114 1.943 -1.059 324 HD1 PHE 45 2HD PHE 45 -0.588 1.899 -3.859 325 HD2 PHE 45 1HD PHE 45 -1.516 0.851 0.216 326 HE1 PHE 45 2HE PHE 45 1.695 0.979 -3.561 327 HE2 PHE 45 1HE PHE 45 0.781 -0.083 0.491 328 HZ PHE 45 HZ PHE 45 2.368 -0.042 -1.412 329 HA PRO 46 HA PRO 46 -6.934 0.614 -0.870 330 1HB PRO 46 2HB PRO 46 -8.671 2.685 -0.977 331 2HB PRO 46 3HB PRO 46 -7.158 2.765 -0.044 332 1HG PRO 46 2HG PRO 46 -7.640 3.826 -2.843 333 2HG PRO 46 3HG PRO 46 -6.908 4.680 -1.445 334 1HD PRO 46 2HD PRO 46 -5.406 3.457 -3.371 335 2HD PRO 46 3HD PRO 46 -4.895 3.505 -1.656 336 H ILE 47 H ILE 47 -7.039 -0.987 -2.612 337 HA ILE 47 HA ILE 47 -9.512 -0.716 -4.296 338 HB ILE 47 HB ILE 47 -8.473 -2.259 -5.919 339 1HG1 ILE 47 2HG1 ILE 47 -5.783 -1.608 -4.643 340 2HG1 ILE 47 3HG1 ILE 47 -6.625 -3.100 -4.293 341 1HG2 ILE 47 1HG2 ILE 47 -7.199 -0.494 -7.047 342 2HG2 ILE 47 2HG2 ILE 47 -8.623 0.183 -6.252 343 3HG2 ILE 47 3HG2 ILE 47 -7.020 0.390 -5.519 344 1HD1 ILE 47 1HD1 ILE 47 -6.627 -3.709 -6.691 345 2HD1 ILE 47 2HD1 ILE 47 -5.709 -2.230 -7.061 346 3HD1 ILE 47 3HD1 ILE 47 -4.992 -3.488 -6.038 347 H ASN 48 H ASN 48 -10.301 -1.393 -2.130 348 HA ASN 48 HA ASN 48 -11.281 -2.892 -0.714 349 1HB ASN 48 2HB ASN 48 -11.451 -4.601 -3.228 350 2HB ASN 48 3HB ASN 48 -12.354 -4.856 -1.746 351 1HD2 ASN 48 1HD2 ASN 48 -14.457 -4.157 -1.900 352 2HD2 ASN 48 2HD2 ASN 48 -14.938 -2.789 -2.897 353 H ILE 49 H ILE 49 -9.197 -2.972 0.396 354 HA ILE 49 HA ILE 49 -7.242 -4.977 0.151 355 HB ILE 49 HB ILE 49 -8.197 -3.514 2.628 356 1HG1 ILE 49 2HG1 ILE 49 -5.784 -3.087 0.797 357 2HG1 ILE 49 3HG1 ILE 49 -7.267 -2.152 0.703 358 1HG2 ILE 49 1HG2 ILE 49 -7.018 -5.566 3.342 359 2HG2 ILE 49 2HG2 ILE 49 -5.677 -5.202 2.238 360 3HG2 ILE 49 3HG2 ILE 49 -6.011 -4.171 3.647 361 1HD1 ILE 49 1HD1 ILE 49 -5.350 -2.159 3.066 362 2HD1 ILE 49 2HD1 ILE 49 -5.591 -0.884 1.872 363 3HD1 ILE 49 3HD1 ILE 49 -6.907 -1.296 2.996 364 H VAL 50 H VAL 50 -10.325 -5.147 1.862 365 HA VAL 50 HA VAL 50 -10.071 -7.750 3.006 366 HB VAL 50 HB VAL 50 -12.661 -6.471 2.047 367 1HG1 VAL 50 1HG1 VAL 50 -12.060 -8.472 4.276 368 2HG1 VAL 50 2HG1 VAL 50 -13.641 -7.728 3.967 369 3HG1 VAL 50 3HG1 VAL 50 -12.937 -8.811 2.767 370 1HG2 VAL 50 1HG2 VAL 50 -11.540 -4.816 3.453 371 2HG2 VAL 50 2HG2 VAL 50 -12.847 -5.557 4.367 372 3HG2 VAL 50 3HG2 VAL 50 -11.168 -6.053 4.676 373 H ALA 51 H ALA 51 -11.063 -6.770 -0.274 374 HA ALA 51 HA ALA 51 -11.955 -9.434 -1.056 375 1HB ALA 51 1HB ALA 51 -12.868 -7.371 -2.085 376 2HB ALA 51 2HB ALA 51 -11.266 -7.020 -2.784 377 3HB ALA 51 3HB ALA 51 -12.154 -8.469 -3.280 378 H VAL 52 H VAL 52 -9.003 -7.466 -1.805 379 HA VAL 52 HA VAL 52 -7.842 -9.466 -3.453 380 HB VAL 52 HB VAL 52 -5.720 -8.354 -3.301 381 1HG1 VAL 52 1HG1 VAL 52 -7.487 -7.435 -4.767 382 2HG1 VAL 52 2HG1 VAL 52 -7.990 -6.335 -3.465 383 3HG1 VAL 52 3HG1 VAL 52 -6.375 -6.185 -4.183 384 1HG2 VAL 52 1HG2 VAL 52 -5.395 -6.314 -1.950 385 2HG2 VAL 52 2HG2 VAL 52 -6.957 -6.603 -1.160 386 3HG2 VAL 52 3HG2 VAL 52 -5.606 -7.734 -0.922 387 H LYS 53 H LYS 53 -7.589 -9.167 0.063 388 HA LYS 53 HA LYS 53 -5.711 -11.413 0.270 389 1HB LYS 53 2HB LYS 53 -5.855 -11.184 2.593 390 2HB LYS 53 3HB LYS 53 -5.857 -9.552 1.926 391 1HG LYS 53 2HG LYS 53 -8.406 -9.590 2.197 392 2HG LYS 53 3HG LYS 53 -8.208 -11.105 3.084 393 1HD LYS 53 2HD LYS 53 -6.371 -9.282 4.251 394 2HD LYS 53 3HD LYS 53 -7.807 -8.324 3.968 395 1HE LYS 53 2HE LYS 53 -7.742 -11.008 5.435 396 2HE LYS 53 3HE LYS 53 -7.652 -9.441 6.235 397 1HZ LYS 53 1HZ LYS 53 -9.849 -8.913 5.414 398 2HZ LYS 53 2HZ LYS 53 -9.919 -10.334 6.204 399 3HZ LYS 53 3HZ LYS 53 -9.951 -10.322 4.573 400 H ASN 54 H ASN 54 -9.223 -11.136 0.352 401 HA ASN 54 HA ASN 54 -9.607 -13.927 1.160 402 1HB ASN 54 2HB ASN 54 -11.004 -11.964 1.940 403 2HB ASN 54 3HB ASN 54 -11.668 -11.865 0.306 404 1HD2 ASN 54 1HD2 ASN 54 -13.821 -12.408 0.862 405 2HD2 ASN 54 2HD2 ASN 54 -14.223 -13.975 1.558 406 H ASP 55 H ASP 55 -8.859 -12.589 -1.797 407 HA ASP 55 HA ASP 55 -10.402 -14.133 -3.639 408 1HB ASP 55 2HB ASP 55 -7.696 -12.774 -3.721 409 2HB ASP 55 3HB ASP 55 -8.187 -13.782 -5.063 410 H HIS 56 H HIS 56 -8.449 -15.421 -1.326 411 HA HIS 56 HA HIS 56 -7.361 -17.353 -0.935 412 1HB HIS 56 2HB HIS 56 -8.682 -19.339 -1.374 413 2HB HIS 56 3HB HIS 56 -9.656 -17.994 -0.815 414 HD1 HIS 56 1HD HIS 56 -8.910 -19.814 -4.160 415 HD2 HIS 56 2HD HIS 56 -11.745 -17.351 -2.248 416 HE1 HIS 56 1HE HIS 56 -10.933 -19.701 -5.726 417 H ASP 57 H ASP 57 -6.196 -16.001 -3.111 418 HA ASP 57 HA ASP 57 -5.033 -18.183 -4.788 419 1HB ASP 57 2HB ASP 57 -6.259 -16.312 -5.879 420 2HB ASP 57 3HB ASP 57 -5.090 -15.175 -5.210 421 H PHE 58 H PHE 58 -4.139 -15.978 -2.249 422 HA PHE 58 HA PHE 58 -1.253 -16.054 -2.718 423 1HB PHE 58 2HB PHE 58 -2.985 -15.233 -0.355 424 2HB PHE 58 3HB PHE 58 -1.233 -15.262 -0.269 425 HD1 PHE 58 1HD PHE 58 0.014 -14.061 -2.342 426 HD2 PHE 58 2HD PHE 58 -3.922 -13.098 -0.847 427 HE1 PHE 58 1HE PHE 58 0.200 -11.786 -3.309 428 HE2 PHE 58 2HE PHE 58 -3.714 -10.816 -1.799 429 HZ PHE 58 HZ PHE 58 -1.650 -10.170 -3.052 430 H LEU 59 H LEU 59 0.282 -17.082 -1.412 431 HA LEU 59 HA LEU 59 -0.368 -19.857 -0.668 432 1HB LEU 59 2HB LEU 59 2.243 -18.290 -0.884 433 2HB LEU 59 3HB LEU 59 2.136 -19.922 -0.241 434 HG LEU 59 HG LEU 59 1.137 -20.690 -2.426 435 1HD1 LEU 59 1HD1 LEU 59 1.668 -19.295 -4.440 436 2HD1 LEU 59 2HD1 LEU 59 2.034 -17.925 -3.370 437 3HD1 LEU 59 3HD1 LEU 59 0.387 -18.603 -3.458 438 1HD2 LEU 59 1HD2 LEU 59 3.499 -21.033 -1.829 439 2HD2 LEU 59 2HD2 LEU 59 3.916 -19.440 -2.501 440 3HD2 LEU 59 3HD2 LEU 59 3.324 -20.738 -3.563 441 H GLU 60 H GLU 60 1.426 -17.240 0.978 442 HA GLU 60 HA GLU 60 1.233 -18.588 3.570 443 1HB GLU 60 2HB GLU 60 2.600 -16.079 2.568 444 2HB GLU 60 3HB GLU 60 2.629 -16.547 4.271 445 1HG GLU 60 2HG GLU 60 3.571 -18.458 2.099 446 2HG GLU 60 3HG GLU 60 4.617 -17.210 2.759 447 H LYS 61 H LYS 61 -0.710 -18.493 4.501 448 HA LYS 61 HA LYS 61 -2.497 -16.254 4.522 449 1HB LYS 61 2HB LYS 61 -3.774 -17.476 6.161 450 2HB LYS 61 3HB LYS 61 -3.206 -18.557 4.898 451 1HG LYS 61 2HG LYS 61 -1.287 -19.215 6.527 452 2HG LYS 61 3HG LYS 61 -2.149 -18.266 7.737 453 1HD LYS 61 2HD LYS 61 -2.919 -20.341 8.230 454 2HD LYS 61 3HD LYS 61 -4.204 -19.814 7.154 455 1HE LYS 61 2HE LYS 61 -1.786 -21.510 6.325 456 2HE LYS 61 3HE LYS 61 -3.324 -22.189 6.854 457 1HZ LYS 61 1HZ LYS 61 -3.249 -22.114 4.465 458 2HZ LYS 61 2HZ LYS 61 -2.950 -20.516 4.430 459 3HZ LYS 61 3HZ LYS 61 -4.398 -21.072 4.964 460 H ASP 62 H ASP 62 0.061 -17.079 6.830 461 HA ASP 62 HA ASP 62 -0.661 -15.101 8.806 462 1HB ASP 62 2HB ASP 62 1.955 -16.532 8.211 463 2HB ASP 62 3HB ASP 62 1.749 -15.420 9.558 464 H LEU 63 H LEU 63 1.026 -14.783 5.776 465 HA LEU 63 HA LEU 63 2.341 -12.262 6.329 466 1HB LEU 63 2HB LEU 63 2.106 -14.178 4.129 467 2HB LEU 63 3HB LEU 63 1.907 -12.552 3.514 468 HG LEU 63 HG LEU 63 4.227 -13.343 5.328 469 1HD1 LEU 63 1HD1 LEU 63 5.601 -13.436 3.243 470 2HD1 LEU 63 2HD1 LEU 63 4.106 -13.363 2.284 471 3HD1 LEU 63 3HD1 LEU 63 4.418 -14.741 3.361 472 1HD2 LEU 63 1HD2 LEU 63 5.270 -11.331 4.381 473 2HD2 LEU 63 2HD2 LEU 63 3.704 -10.929 5.104 474 3HD2 LEU 63 3HD2 LEU 63 3.850 -11.058 3.343 475 H VAL 64 H VAL 64 -0.943 -13.033 5.717 476 HA VAL 64 HA VAL 64 -1.801 -10.637 4.390 477 HB VAL 64 HB VAL 64 -3.346 -12.607 6.111 478 1HG1 VAL 64 1HG1 VAL 64 -4.337 -10.396 4.282 479 2HG1 VAL 64 2HG1 VAL 64 -5.352 -11.720 4.918 480 3HG1 VAL 64 3HG1 VAL 64 -4.637 -10.551 6.027 481 1HG2 VAL 64 1HG2 VAL 64 -4.114 -13.474 3.916 482 2HG2 VAL 64 2HG2 VAL 64 -3.098 -12.283 3.076 483 3HG2 VAL 64 3HG2 VAL 64 -2.357 -13.584 4.030 484 H GLU 65 H GLU 65 -1.488 -11.395 7.865 485 HA GLU 65 HA GLU 65 -2.815 -9.107 8.909 486 1HB GLU 65 2HB GLU 65 -0.744 -11.016 9.953 487 2HB GLU 65 3HB GLU 65 -1.011 -9.524 10.848 488 1HG GLU 65 2HG GLU 65 -3.262 -11.426 10.086 489 2HG GLU 65 3HG GLU 65 -2.353 -11.544 11.590 490 HA PRO 66 HA PRO 66 1.129 -6.467 8.880 491 1HB PRO 66 2HB PRO 66 3.405 -7.246 7.576 492 2HB PRO 66 3HB PRO 66 3.056 -7.630 9.286 493 1HG PRO 66 2HG PRO 66 2.581 -9.394 6.865 494 2HG PRO 66 3HG PRO 66 3.388 -9.828 8.406 495 1HD PRO 66 2HD PRO 66 0.791 -10.417 7.937 496 2HD PRO 66 3HD PRO 66 1.326 -9.881 9.555 497 H LEU 67 H LEU 67 0.492 -8.366 5.892 498 HA LEU 67 HA LEU 67 0.983 -6.312 3.999 499 1HB LEU 67 2HB LEU 67 0.578 -8.616 3.328 500 2HB LEU 67 3HB LEU 67 -1.052 -8.563 3.994 501 HG LEU 67 HG LEU 67 -1.709 -6.884 2.286 502 1HD1 LEU 67 1HD1 LEU 67 1.060 -7.425 1.123 503 2HD1 LEU 67 2HD1 LEU 67 0.493 -5.883 1.807 504 3HD1 LEU 67 3HD1 LEU 67 -0.244 -6.514 0.333 505 1HD2 LEU 67 1HD2 LEU 67 -1.743 -8.436 0.388 506 2HD2 LEU 67 2HD2 LEU 67 -2.091 -9.282 1.903 507 3HD2 LEU 67 3HD2 LEU 67 -0.484 -9.430 1.155 508 H CYS 68 H CYS 68 -2.119 -7.045 5.707 509 HA CYS 68 HA CYS 68 -3.614 -4.870 4.715 510 1HB CYS 68 2HB CYS 68 -3.692 -6.313 7.393 511 2HB CYS 68 3HB CYS 68 -4.873 -5.075 6.917 512 HG CYS 68 HG CYS 68 -5.926 -7.439 6.560 513 H ARG 69 H ARG 69 -1.396 -4.845 7.531 514 HA ARG 69 HA ARG 69 -1.819 -2.079 8.230 515 1HB ARG 69 2HB ARG 69 -0.710 -3.782 9.712 516 2HB ARG 69 3HB ARG 69 0.713 -3.722 8.661 517 1HG ARG 69 2HG ARG 69 0.845 -1.223 9.106 518 2HG ARG 69 3HG ARG 69 -0.477 -1.413 10.272 519 1HD ARG 69 2HD ARG 69 0.897 -2.853 11.664 520 2HD ARG 69 3HD ARG 69 2.154 -2.930 10.410 521 HE ARG 69 HE ARG 69 1.639 -0.188 11.207 522 1HH1 ARG 69 1HH1 ARG 69 3.355 -3.014 12.313 523 2HH1 ARG 69 2HH1 ARG 69 4.396 -2.074 13.343 524 1HH2 ARG 69 1HH2 ARG 69 3.225 0.960 12.172 525 2HH2 ARG 69 2HH2 ARG 69 4.458 0.131 13.093 526 H ARG 70 H ARG 70 0.800 -3.525 6.248 527 HA ARG 70 HA ARG 70 2.006 -0.984 5.578 528 1HB ARG 70 2HB ARG 70 2.205 -3.638 4.096 529 2HB ARG 70 3HB ARG 70 3.213 -2.230 3.815 530 1HG ARG 70 2HG ARG 70 3.268 -4.129 6.152 531 2HG ARG 70 3HG ARG 70 4.550 -3.600 5.082 532 1HD ARG 70 2HD ARG 70 4.321 -1.286 6.183 533 2HD ARG 70 3HD ARG 70 3.330 -2.101 7.408 534 HE ARG 70 HE ARG 70 5.713 -3.603 7.121 535 1HH1 ARG 70 1HH1 ARG 70 4.914 -0.380 8.353 536 2HH1 ARG 70 2HH1 ARG 70 6.452 -0.347 9.230 537 1HH2 ARG 70 1HH2 ARG 70 7.603 -3.344 8.360 538 2HH2 ARG 70 2HH2 ARG 70 7.780 -1.811 9.214 539 H LEU 71 H LEU 71 -0.595 -2.741 3.957 540 HA LEU 71 HA LEU 71 -0.843 -0.821 1.776 541 1HB LEU 71 2HB LEU 71 -2.839 -2.761 2.993 542 2HB LEU 71 3HB LEU 71 -3.156 -1.766 1.575 543 HG LEU 71 HG LEU 71 -0.975 -3.892 1.738 544 1HD1 LEU 71 1HD1 LEU 71 -2.426 -5.199 0.271 545 2HD1 LEU 71 2HD1 LEU 71 -3.649 -3.912 0.286 546 3HD1 LEU 71 3HD1 LEU 71 -3.276 -4.816 1.776 547 1HD2 LEU 71 1HD2 LEU 71 -1.935 -2.199 -0.595 548 2HD2 LEU 71 2HD2 LEU 71 -0.917 -3.650 -0.741 549 3HD2 LEU 71 3HD2 LEU 71 -0.306 -2.245 0.122 550 H ASN 72 H ASN 72 -2.706 -1.170 4.852 551 HA ASN 72 HA ASN 72 -4.322 1.086 4.470 552 1HB ASN 72 2HB ASN 72 -4.737 -0.750 6.083 553 2HB ASN 72 3HB ASN 72 -3.411 -0.166 7.094 554 1HD2 ASN 72 1HD2 ASN 72 -6.679 0.605 5.857 555 2HD2 ASN 72 2HD2 ASN 72 -6.993 1.813 7.095 556 H THR 73 H THR 73 -1.111 1.017 6.086 557 HA THR 73 HA THR 73 -1.221 3.735 6.980 558 HB THR 73 HB THR 73 0.387 2.024 7.791 559 HG1 THR 73 1HG THR 73 0.729 4.132 8.331 560 1HG2 THR 73 1HG2 THR 73 1.233 1.209 5.582 561 2HG2 THR 73 2HG2 THR 73 2.510 1.685 6.712 562 3HG2 THR 73 3HG2 THR 73 2.078 2.758 5.370 563 H LEU 74 H LEU 74 -0.422 2.465 3.777 564 HA LEU 74 HA LEU 74 0.436 5.092 2.764 565 1HB LEU 74 2HB LEU 74 0.361 2.301 1.740 566 2HB LEU 74 3HB LEU 74 -0.047 3.527 0.543 567 HG LEU 74 HG LEU 74 2.028 4.763 1.035 568 1HD1 LEU 74 1HD1 LEU 74 2.564 2.451 2.921 569 2HD1 LEU 74 2HD1 LEU 74 2.507 4.183 3.322 570 3HD1 LEU 74 3HD1 LEU 74 3.821 3.551 2.307 571 1HD2 LEU 74 1HD2 LEU 74 2.660 1.843 0.491 572 2HD2 LEU 74 2HD2 LEU 74 3.565 3.273 -0.045 573 3HD2 LEU 74 3HD2 LEU 74 1.960 2.950 -0.714 574 H ASN 75 H ASN 75 -2.642 3.386 2.954 575 HA ASN 75 HA ASN 75 -4.079 4.766 0.951 576 1HB ASN 75 2HB ASN 75 -5.043 3.855 3.698 577 2HB ASN 75 3HB ASN 75 -6.095 4.452 2.431 578 1HD2 ASN 75 1HD2 ASN 75 -6.828 2.108 3.272 579 2HD2 ASN 75 2HD2 ASN 75 -6.336 0.867 2.122 580 H LYS 76 H LYS 76 -3.251 5.869 4.189 581 HA LYS 76 HA LYS 76 -4.669 8.300 4.389 582 1HB LYS 76 2HB LYS 76 -3.378 7.194 6.211 583 2HB LYS 76 3HB LYS 76 -1.875 7.588 5.392 584 1HG LYS 76 2HG LYS 76 -2.244 9.104 7.248 585 2HG LYS 76 3HG LYS 76 -2.235 9.979 5.731 586 1HD LYS 76 2HD LYS 76 -3.971 10.862 7.195 587 2HD LYS 76 3HD LYS 76 -4.693 10.155 5.763 588 1HE LYS 76 2HE LYS 76 -6.051 9.538 7.623 589 2HE LYS 76 3HE LYS 76 -5.225 8.079 7.081 590 1HZ LYS 76 1HZ LYS 76 -5.184 8.349 9.516 591 2HZ LYS 76 2HZ LYS 76 -4.372 9.756 9.387 592 3HZ LYS 76 3HZ LYS 76 -3.663 8.355 8.930 593 H CYS 77 H CYS 77 -1.583 7.704 2.761 594 HA CYS 77 HA CYS 77 -1.351 10.532 1.887 595 1HB CYS 77 2HB CYS 77 0.497 8.129 1.553 596 2HB CYS 77 3HB CYS 77 0.867 9.786 1.054 597 HG CYS 77 HG CYS 77 0.588 10.883 3.430 598 H ALA 78 H ALA 78 -2.259 7.414 0.508 599 HA ALA 78 HA ALA 78 -2.066 8.115 -2.262 600 1HB ALA 78 1HB ALA 78 -3.938 6.135 -0.886 601 2HB ALA 78 2HB ALA 78 -3.502 6.158 -2.606 602 3HB ALA 78 3HB ALA 78 -2.264 5.794 -1.388 603 H SER 79 H SER 79 -4.720 8.471 0.078 604 HA SER 79 HA SER 79 -6.672 9.617 0.122 605 1HB SER 79 2HB SER 79 -5.259 11.520 -1.773 606 2HB SER 79 3HB SER 79 -6.626 11.906 -0.719 607 HG SER 79 HG SER 79 -5.304 11.485 1.086 608 H MET 80 H MET 80 -6.279 7.777 -2.370 609 HA MET 80 HA MET 80 -7.855 8.800 -4.504 610 1HB MET 80 2HB MET 80 -6.224 7.059 -4.822 611 2HB MET 80 3HB MET 80 -7.050 5.985 -3.697 612 1HG MET 80 2HG MET 80 -7.455 5.271 -5.968 613 2HG MET 80 3HG MET 80 -8.957 5.793 -5.225 614 1HE MET 80 1HE MET 80 -9.206 5.300 -8.102 615 2HE MET 80 2HE MET 80 -10.456 6.202 -7.215 616 3HE MET 80 3HE MET 80 -9.871 6.804 -8.780 617 H LYS 81 H LYS 81 -8.794 6.546 -1.901 618 HA LYS 81 HA LYS 81 -11.398 5.986 -2.974 619 1HB LYS 81 2HB LYS 81 -9.951 4.516 -1.521 620 2HB LYS 81 3HB LYS 81 -10.453 5.458 -0.117 621 1HG LYS 81 2HG LYS 81 -12.458 4.182 -2.020 622 2HG LYS 81 3HG LYS 81 -11.681 3.220 -0.779 623 1HD LYS 81 2HD LYS 81 -12.775 4.195 0.974 624 2HD LYS 81 3HD LYS 81 -12.980 5.749 0.194 625 1HE LYS 81 2HE LYS 81 -14.514 3.228 -0.567 626 2HE LYS 81 3HE LYS 81 -15.109 4.495 0.511 627 1HZ LYS 81 1HZ LYS 81 -14.781 6.078 -1.386 628 2HZ LYS 81 2HZ LYS 81 -15.939 4.945 -1.676 629 3HZ LYS 81 3HZ LYS 81 -14.464 4.825 -2.365 Start of MODEL 9 1 1H MET 1 1H MET 1 -20.493 -19.054 -0.408 2 2H MET 1 2H MET 1 -21.139 -17.561 -0.547 3 3H MET 1 3H MET 1 -21.978 -18.739 0.216 4 HA MET 1 HA MET 1 -21.062 -17.202 1.803 5 1HB MET 1 2HB MET 1 -20.153 -18.749 3.347 6 2HB MET 1 3HB MET 1 -21.340 -19.634 2.399 7 1HG MET 1 2HG MET 1 -19.425 -20.570 1.012 8 2HG MET 1 3HG MET 1 -18.311 -19.731 2.091 9 1HE MET 1 1HE MET 1 -21.411 -22.246 2.244 10 2HE MET 1 2HE MET 1 -20.074 -22.992 1.335 11 3HE MET 1 3HE MET 1 -20.551 -23.651 2.913 12 H HIS 2 H HIS 2 -19.224 -16.207 2.811 13 HA HIS 2 HA HIS 2 -16.559 -16.578 1.663 14 1HB HIS 2 2HB HIS 2 -16.204 -14.230 1.120 15 2HB HIS 2 3HB HIS 2 -17.514 -14.879 0.152 16 HD1 HIS 2 1HD HIS 2 -16.938 -12.397 3.078 17 HD2 HIS 2 2HD HIS 2 -19.926 -13.777 0.424 18 HE1 HIS 2 1HE HIS 2 -18.915 -10.825 3.343 19 H HIS 3 H HIS 3 -14.916 -15.294 2.895 20 HA HIS 3 HA HIS 3 -15.218 -15.383 5.747 21 1HB HIS 3 2HB HIS 3 -13.035 -15.490 4.602 22 2HB HIS 3 3HB HIS 3 -13.237 -13.831 4.029 23 HD1 HIS 3 1HD HIS 3 -12.570 -15.786 7.292 24 HD2 HIS 3 2HD HIS 3 -12.810 -11.845 5.801 25 HE1 HIS 3 1HE HIS 3 -11.692 -14.264 9.139 26 H HIS 4 H HIS 4 -16.359 -14.063 7.017 27 HA HIS 4 HA HIS 4 -17.506 -11.547 6.028 28 1HB HIS 4 2HB HIS 4 -17.756 -13.087 8.634 29 2HB HIS 4 3HB HIS 4 -18.473 -11.497 8.377 30 HD1 HIS 4 1HD HIS 4 -18.609 -14.395 5.730 31 HD2 HIS 4 2HD HIS 4 -20.991 -12.097 8.366 32 HE1 HIS 4 1HE HIS 4 -21.014 -14.982 5.216 33 H HIS 5 H HIS 5 -15.896 -12.063 9.194 34 HA HIS 5 HA HIS 5 -13.962 -9.885 8.663 35 1HB HIS 5 2HB HIS 5 -15.907 -9.874 11.012 36 2HB HIS 5 3HB HIS 5 -14.559 -8.764 10.796 37 HD1 HIS 5 1HD HIS 5 -18.177 -8.970 10.075 38 HD2 HIS 5 2HD HIS 5 -14.741 -7.172 8.412 39 HE1 HIS 5 1HE HIS 5 -19.012 -7.105 8.552 40 H HIS 6 H HIS 6 -12.248 -9.783 10.144 41 HA HIS 6 HA HIS 6 -11.441 -12.283 11.479 42 1HB HIS 6 2HB HIS 6 -9.299 -11.076 11.760 43 2HB HIS 6 3HB HIS 6 -9.831 -11.120 10.088 44 HD1 HIS 6 1HD HIS 6 -10.423 -8.748 8.943 45 HD2 HIS 6 2HD HIS 6 -9.350 -8.652 13.016 46 HE1 HIS 6 1HE HIS 6 -10.132 -6.282 9.555 47 H HIS 7 H HIS 7 -10.369 -12.019 13.684 48 HA HIS 7 HA HIS 7 -12.279 -11.084 15.616 49 1HB HIS 7 2HB HIS 7 -10.898 -13.061 15.958 50 2HB HIS 7 3HB HIS 7 -9.428 -12.093 15.928 51 HD1 HIS 7 1HD HIS 7 -12.540 -11.060 18.027 52 HD2 HIS 7 2HD HIS 7 -8.659 -12.682 18.387 53 HE1 HIS 7 1HE HIS 7 -12.009 -11.088 20.510 54 H SER 8 H SER 8 -8.833 -10.048 15.402 55 HA SER 8 HA SER 8 -9.530 -7.206 15.393 56 1HB SER 8 2HB SER 8 -8.191 -6.679 17.428 57 2HB SER 8 3HB SER 8 -9.666 -7.584 17.772 58 HG SER 8 HG SER 8 -7.008 -8.632 17.661 59 H SER 9 H SER 9 -7.736 -5.837 14.882 60 HA SER 9 HA SER 9 -5.049 -6.882 14.509 61 1HB SER 9 2HB SER 9 -6.335 -7.729 12.483 62 2HB SER 9 3HB SER 9 -6.561 -6.041 12.002 63 HG SER 9 HG SER 9 -4.566 -7.555 11.407 64 H GLY 10 H GLY 10 -3.690 -5.195 13.382 65 1HA GLY 10 2HA GLY 10 -2.717 -3.106 13.281 66 2HA GLY 10 1HA GLY 10 -4.318 -2.615 12.739 67 H LEU 11 H LEU 11 -2.866 -3.430 15.921 68 HA LEU 11 HA LEU 11 -3.564 -0.727 16.965 69 1HB LEU 11 2HB LEU 11 -4.728 -3.328 17.784 70 2HB LEU 11 3HB LEU 11 -4.144 -2.382 19.138 71 HG LEU 11 HG LEU 11 -6.019 -1.212 17.055 72 1HD1 LEU 11 1HD1 LEU 11 -6.646 -2.449 19.770 73 2HD1 LEU 11 2HD1 LEU 11 -7.105 -3.108 18.183 74 3HD1 LEU 11 3HD1 LEU 11 -7.795 -1.572 18.733 75 1HD2 LEU 11 1HD2 LEU 11 -5.259 -0.354 19.891 76 2HD2 LEU 11 2HD2 LEU 11 -6.452 0.450 18.849 77 3HD2 LEU 11 3HD2 LEU 11 -4.744 0.458 18.399 78 H VAL 12 H VAL 12 -1.281 -0.536 16.402 79 HA VAL 12 HA VAL 12 0.227 -0.581 18.891 80 HB VAL 12 HB VAL 12 0.853 -2.734 18.240 81 1HG1 VAL 12 1HG1 VAL 12 1.926 -1.733 15.586 82 2HG1 VAL 12 2HG1 VAL 12 2.050 -3.368 16.249 83 3HG1 VAL 12 3HG1 VAL 12 0.464 -2.721 15.809 84 1HG2 VAL 12 1HG2 VAL 12 3.218 -0.934 17.641 85 2HG2 VAL 12 2HG2 VAL 12 2.584 -1.295 19.264 86 3HG2 VAL 12 3HG2 VAL 12 3.241 -2.594 18.256 87 HA PRO 13 HA PRO 13 1.232 3.209 16.486 88 1HB PRO 13 2HB PRO 13 0.996 5.006 18.524 89 2HB PRO 13 3HB PRO 13 -0.411 4.400 17.599 90 1HG PRO 13 2HG PRO 13 0.600 3.443 20.292 91 2HG PRO 13 3HG PRO 13 -1.082 3.835 19.814 92 1HD PRO 13 2HD PRO 13 -0.098 1.282 19.843 93 2HD PRO 13 3HD PRO 13 -1.323 1.811 18.650 94 H ARG 14 H ARG 14 3.220 4.164 16.411 95 HA ARG 14 HA ARG 14 5.227 3.738 18.600 96 1HB ARG 14 2HB ARG 14 5.170 1.835 16.929 97 2HB ARG 14 3HB ARG 14 5.753 2.959 15.701 98 1HG ARG 14 2HG ARG 14 7.853 3.263 16.919 99 2HG ARG 14 3HG ARG 14 7.217 2.366 18.317 100 1HD ARG 14 2HD ARG 14 7.054 0.328 16.951 101 2HD ARG 14 3HD ARG 14 7.644 1.215 15.528 102 HE ARG 14 HE ARG 14 9.589 1.582 17.516 103 1HH1 ARG 14 1HH1 ARG 14 8.319 -1.194 15.818 104 2HH1 ARG 14 2HH1 ARG 14 9.806 -2.092 15.974 105 1HH2 ARG 14 1HH2 ARG 14 11.458 0.407 17.679 106 2HH2 ARG 14 2HH2 ARG 14 11.538 -1.193 17.003 107 H GLY 15 H GLY 15 4.017 5.931 16.338 108 1HA GLY 15 2HA GLY 15 4.530 8.204 16.211 109 2HA GLY 15 1HA GLY 15 6.040 7.926 17.070 110 H SER 16 H SER 16 6.013 5.779 14.528 111 HA SER 16 HA SER 16 8.023 7.233 12.989 112 1HB SER 16 2HB SER 16 6.750 4.486 12.664 113 2HB SER 16 3HB SER 16 8.059 5.097 11.645 114 HG SER 16 HG SER 16 8.204 4.896 14.487 115 H GLN 17 H GLN 17 5.679 8.687 12.806 116 HA GLN 17 HA GLN 17 3.749 8.012 10.921 117 1HB GLN 17 2HB GLN 17 4.697 10.755 11.825 118 2HB GLN 17 3HB GLN 17 3.224 10.479 10.889 119 1HG GLN 17 2HG GLN 17 2.309 9.039 12.672 120 2HG GLN 17 3HG GLN 17 3.762 9.283 13.642 121 1HE2 GLN 17 1HE2 GLN 17 0.725 10.778 12.576 122 2HE2 GLN 17 2HE2 GLN 17 0.916 12.199 13.598 123 H GLU 18 H GLU 18 6.868 9.339 10.126 124 HA GLU 18 HA GLU 18 6.084 9.653 7.234 125 1HB GLU 18 2HB GLU 18 8.545 10.562 8.764 126 2HB GLU 18 3HB GLU 18 8.332 10.751 7.027 127 1HG GLU 18 2HG GLU 18 6.401 11.956 9.062 128 2HG GLU 18 3HG GLU 18 7.839 12.780 8.490 129 H ILE 19 H ILE 19 8.395 7.946 9.335 130 HA ILE 19 HA ILE 19 9.851 6.616 7.249 131 HB ILE 19 HB ILE 19 9.570 5.813 10.176 132 1HG1 ILE 19 2HG1 ILE 19 11.989 6.933 10.159 133 2HG1 ILE 19 3HG1 ILE 19 11.346 7.860 8.813 134 1HG2 ILE 19 1HG2 ILE 19 10.525 4.000 8.844 135 2HG2 ILE 19 2HG2 ILE 19 11.683 5.121 8.091 136 3HG2 ILE 19 3HG2 ILE 19 11.783 4.728 9.824 137 1HD1 ILE 19 1HD1 ILE 19 10.128 7.700 11.618 138 2HD1 ILE 19 2HD1 ILE 19 11.197 8.989 11.039 139 3HD1 ILE 19 3HD1 ILE 19 9.599 8.797 10.320 140 H GLU 20 H GLU 20 6.856 5.823 8.915 141 HA GLU 20 HA GLU 20 6.572 3.110 8.220 142 1HB GLU 20 2HB GLU 20 4.213 3.422 8.583 143 2HB GLU 20 3HB GLU 20 5.139 4.302 9.784 144 1HG GLU 20 2HG GLU 20 4.767 6.419 8.456 145 2HG GLU 20 3HG GLU 20 3.780 5.505 7.327 146 H ALA 21 H ALA 21 6.282 5.903 6.074 147 HA ALA 21 HA ALA 21 4.982 4.499 3.895 148 1HB ALA 21 1HB ALA 21 4.967 6.959 4.069 149 2HB ALA 21 2HB ALA 21 6.740 7.001 3.913 150 3HB ALA 21 3HB ALA 21 5.745 6.448 2.557 151 H LYS 22 H LYS 22 8.375 5.292 4.600 152 HA LYS 22 HA LYS 22 9.653 3.957 2.411 153 1HB LYS 22 2HB LYS 22 10.721 5.631 3.888 154 2HB LYS 22 3HB LYS 22 10.655 4.502 5.243 155 1HG LYS 22 2HG LYS 22 12.160 2.951 4.048 156 2HG LYS 22 3HG LYS 22 12.217 4.068 2.665 157 1HD LYS 22 2HD LYS 22 13.155 5.833 4.148 158 2HD LYS 22 3HD LYS 22 13.133 4.716 5.515 159 1HE LYS 22 2HE LYS 22 14.718 4.331 2.930 160 2HE LYS 22 3HE LYS 22 15.373 4.991 4.431 161 1HZ LYS 22 1HZ LYS 22 14.811 2.853 5.511 162 2HZ LYS 22 2HZ LYS 22 15.880 2.658 4.298 163 3HZ LYS 22 3HZ LYS 22 14.321 2.235 4.070 164 H GLU 23 H GLU 23 9.033 2.807 5.727 165 HA GLU 23 HA GLU 23 9.889 0.104 5.300 166 1HB GLU 23 2HB GLU 23 7.994 1.334 7.333 167 2HB GLU 23 3HB GLU 23 8.347 -0.398 7.279 168 1HG GLU 23 2HG GLU 23 10.810 0.149 7.426 169 2HG GLU 23 3HG GLU 23 10.369 1.833 7.714 170 H ALA 24 H ALA 24 6.562 1.497 4.854 171 HA ALA 24 HA ALA 24 5.314 -0.972 4.233 172 1HB ALA 24 1HB ALA 24 4.019 1.045 4.676 173 2HB ALA 24 2HB ALA 24 4.700 1.846 3.243 174 3HB ALA 24 3HB ALA 24 3.630 0.446 3.055 175 H CYS 25 H CYS 25 6.716 1.392 1.902 176 HA CYS 25 HA CYS 25 6.388 -0.211 -0.413 177 1HB CYS 25 2HB CYS 25 8.441 1.925 0.289 178 2HB CYS 25 3HB CYS 25 8.290 1.193 -1.321 179 HG CYS 25 HG CYS 25 7.130 3.552 -1.333 180 H ASP 26 H ASP 26 9.292 -0.034 1.728 181 HA ASP 26 HA ASP 26 10.818 -1.992 0.297 182 1HB ASP 26 2HB ASP 26 10.907 -1.092 3.204 183 2HB ASP 26 3HB ASP 26 12.061 -2.218 2.497 184 H TRP 27 H TRP 27 8.561 -2.436 3.067 185 HA TRP 27 HA TRP 27 9.134 -5.179 3.506 186 1HB TRP 27 2HB TRP 27 7.918 -3.725 5.089 187 2HB TRP 27 3HB TRP 27 6.526 -3.714 4.003 188 HD1 TRP 27 HD1 TRP 27 8.398 -5.830 6.524 189 HE1 TRP 27 1HE TRP 27 7.141 -8.024 7.017 190 HE3 TRP 27 3HE TRP 27 4.676 -5.465 3.019 191 HZ2 TRP 27 2HZ TRP 27 4.978 -9.512 5.889 192 HZ3 TRP 27 3HZ TRP 27 3.043 -7.318 2.721 193 HH2 TRP 27 HH2 TRP 27 3.196 -9.350 4.126 194 H LEU 28 H LEU 28 6.705 -3.715 1.296 195 HA LEU 28 HA LEU 28 5.516 -6.169 0.447 196 1HB LEU 28 2HB LEU 28 5.787 -3.401 -0.696 197 2HB LEU 28 3HB LEU 28 5.366 -4.678 -1.818 198 HG LEU 28 HG LEU 28 3.362 -3.682 -1.237 199 1HD1 LEU 28 1HD1 LEU 28 2.034 -5.422 -0.373 200 2HD1 LEU 28 2HD1 LEU 28 3.357 -6.100 0.589 201 3HD1 LEU 28 3HD1 LEU 28 3.393 -6.212 -1.187 202 1HD2 LEU 28 1HD2 LEU 28 2.536 -3.516 1.143 203 2HD2 LEU 28 2HD2 LEU 28 3.842 -2.411 0.690 204 3HD2 LEU 28 3HD2 LEU 28 4.196 -3.845 1.667 205 H ARG 29 H ARG 29 8.495 -4.622 -0.677 206 HA ARG 29 HA ARG 29 9.036 -6.544 -2.804 207 1HB ARG 29 2HB ARG 29 11.190 -4.993 -1.323 208 2HB ARG 29 3HB ARG 29 11.208 -5.632 -2.967 209 1HG ARG 29 2HG ARG 29 9.257 -3.963 -3.436 210 2HG ARG 29 3HG ARG 29 9.676 -3.265 -1.871 211 1HD ARG 29 2HD ARG 29 10.848 -1.926 -3.385 212 2HD ARG 29 3HD ARG 29 12.063 -3.010 -2.723 213 HE ARG 29 HE ARG 29 12.330 -3.999 -4.822 214 1HH1 ARG 29 1HH1 ARG 29 9.473 -1.994 -4.997 215 2HH1 ARG 29 2HH1 ARG 29 9.336 -2.178 -6.726 216 1HH2 ARG 29 1HH2 ARG 29 12.110 -4.194 -7.013 217 2HH2 ARG 29 2HH2 ARG 29 10.810 -3.385 -7.833 218 H ALA 30 H ALA 30 10.181 -6.301 0.562 219 HA ALA 30 HA ALA 30 11.713 -8.698 0.625 220 1HB ALA 30 1HB ALA 30 10.215 -7.321 2.896 221 2HB ALA 30 2HB ALA 30 11.557 -8.470 3.063 222 3HB ALA 30 3HB ALA 30 11.838 -6.888 2.308 223 H ALA 31 H ALA 31 8.232 -8.235 1.246 224 HA ALA 31 HA ALA 31 7.608 -10.952 1.938 225 1HB ALA 31 1HB ALA 31 5.869 -8.713 0.807 226 2HB ALA 31 2HB ALA 31 5.287 -10.181 1.616 227 3HB ALA 31 3HB ALA 31 6.231 -8.987 2.525 228 H GLY 32 H GLY 32 8.607 -9.762 -1.081 229 1HA GLY 32 2HA GLY 32 8.890 -10.970 -3.039 230 2HA GLY 32 1HA GLY 32 7.782 -12.218 -2.468 231 H PHE 33 H PHE 33 6.520 -8.993 -2.271 232 HA PHE 33 HA PHE 33 5.028 -9.294 -4.847 233 1HB PHE 33 2HB PHE 33 3.831 -8.341 -2.240 234 2HB PHE 33 3HB PHE 33 3.007 -8.604 -3.774 235 HD1 PHE 33 1HD PHE 33 3.658 -11.257 -4.667 236 HD2 PHE 33 2HD PHE 33 3.076 -9.830 -0.632 237 HE1 PHE 33 1HE PHE 33 3.012 -13.540 -3.946 238 HE2 PHE 33 2HE PHE 33 2.404 -12.106 0.071 239 HZ PHE 33 HZ PHE 33 2.379 -13.971 -1.577 240 HA PRO 34 HA PRO 34 6.978 -5.017 -4.362 241 1HB PRO 34 2HB PRO 34 8.476 -4.955 -6.662 242 2HB PRO 34 3HB PRO 34 9.066 -5.654 -5.123 243 1HG PRO 34 2HG PRO 34 7.824 -7.115 -7.472 244 2HG PRO 34 3HG PRO 34 9.340 -7.509 -6.599 245 1HD PRO 34 2HD PRO 34 7.006 -8.758 -6.011 246 2HD PRO 34 3HD PRO 34 8.159 -8.306 -4.719 247 H GLN 35 H GLN 35 5.202 -6.703 -6.850 248 HA GLN 35 HA GLN 35 4.370 -4.603 -8.544 249 1HB GLN 35 2HB GLN 35 3.913 -7.006 -8.917 250 2HB GLN 35 3HB GLN 35 2.786 -7.013 -7.554 251 1HG GLN 35 2HG GLN 35 1.343 -5.360 -8.751 252 2HG GLN 35 3HG GLN 35 2.491 -5.338 -10.093 253 1HE2 GLN 35 1HE2 GLN 35 0.082 -7.367 -8.352 254 2HE2 GLN 35 2HE2 GLN 35 -0.093 -8.502 -9.685 255 H TYR 36 H TYR 36 2.990 -5.601 -5.355 256 HA TYR 36 HA TYR 36 0.877 -3.657 -5.384 257 1HB TYR 36 2HB TYR 36 2.255 -5.056 -3.077 258 2HB TYR 36 3HB TYR 36 0.867 -3.993 -2.888 259 HD1 TYR 36 1HD TYR 36 -1.016 -4.695 -4.996 260 HD2 TYR 36 2HD TYR 36 1.523 -7.233 -2.596 261 HE1 TYR 36 1HE TYR 36 -2.573 -6.596 -5.349 262 HE2 TYR 36 2HE TYR 36 -0.037 -9.132 -2.959 263 HH TYR 36 HH TYR 36 -1.971 -9.843 -3.971 264 H ALA 37 H ALA 37 4.221 -3.426 -4.062 265 HA ALA 37 HA ALA 37 3.966 -0.791 -2.995 266 1HB ALA 37 1HB ALA 37 6.418 -2.143 -4.213 267 2HB ALA 37 2HB ALA 37 6.424 -0.697 -3.183 268 3HB ALA 37 3HB ALA 37 5.890 -2.243 -2.524 269 H GLN 38 H GLN 38 4.848 -1.835 -6.304 270 HA GLN 38 HA GLN 38 5.296 0.768 -7.395 271 1HB GLN 38 2HB GLN 38 4.542 -1.910 -8.601 272 2HB GLN 38 3HB GLN 38 4.705 -0.481 -9.611 273 1HG GLN 38 2HG GLN 38 6.928 -1.420 -7.747 274 2HG GLN 38 3HG GLN 38 6.763 -1.973 -9.411 275 1HE2 GLN 38 1HE2 GLN 38 7.818 0.750 -7.399 276 2HE2 GLN 38 2HE2 GLN 38 8.280 1.747 -8.768 277 H LEU 39 H LEU 39 2.217 -0.715 -6.595 278 HA LEU 39 HA LEU 39 0.618 0.988 -8.312 279 1HB LEU 39 2HB LEU 39 -0.195 -0.321 -5.695 280 2HB LEU 39 3HB LEU 39 -1.260 0.359 -6.906 281 HG LEU 39 HG LEU 39 0.425 -2.142 -7.140 282 1HD1 LEU 39 1HD1 LEU 39 -2.572 -1.692 -7.327 283 2HD1 LEU 39 2HD1 LEU 39 -1.706 -2.307 -5.902 284 3HD1 LEU 39 3HD1 LEU 39 -1.724 -3.252 -7.402 285 1HD2 LEU 39 1HD2 LEU 39 -1.224 -0.810 -9.327 286 2HD2 LEU 39 2HD2 LEU 39 -0.598 -2.471 -9.386 287 3HD2 LEU 39 3HD2 LEU 39 0.529 -1.116 -9.344 288 H TYR 40 H TYR 40 2.428 1.767 -5.450 289 HA TYR 40 HA TYR 40 0.716 3.825 -4.408 290 1HB TYR 40 2HB TYR 40 2.566 2.801 -3.111 291 2HB TYR 40 3HB TYR 40 3.736 3.498 -4.213 292 HD1 TYR 40 2HD TYR 40 0.696 4.838 -2.372 293 HD2 TYR 40 1HD TYR 40 4.930 5.203 -3.161 294 HE1 TYR 40 2HE TYR 40 0.784 6.874 -0.955 295 HE2 TYR 40 1HE TYR 40 5.015 7.230 -1.711 296 HH TYR 40 HH TYR 40 2.100 8.558 -0.115 297 H GLU 41 H GLU 41 3.656 4.104 -6.432 298 HA GLU 41 HA GLU 41 3.284 6.897 -7.076 299 1HB GLU 41 2HB GLU 41 4.926 4.733 -8.457 300 2HB GLU 41 3HB GLU 41 5.021 6.466 -8.801 301 1HG GLU 41 2HG GLU 41 5.665 6.887 -6.421 302 2HG GLU 41 3HG GLU 41 5.678 5.147 -6.129 303 H ASP 42 H ASP 42 1.994 3.971 -8.494 304 HA ASP 42 HA ASP 42 0.990 5.295 -10.914 305 1HB ASP 42 2HB ASP 42 1.761 2.855 -10.687 306 2HB ASP 42 3HB ASP 42 0.239 2.561 -9.844 307 H SER 43 H SER 43 -0.027 5.397 -7.747 308 HA SER 43 HA SER 43 -1.866 6.031 -6.627 309 1HB SER 43 2HB SER 43 -2.918 7.073 -9.276 310 2HB SER 43 3HB SER 43 -3.457 7.552 -7.664 311 HG SER 43 HG SER 43 -1.374 8.393 -7.260 312 H GLN 44 H GLN 44 -1.885 3.336 -7.371 313 HA GLN 44 HA GLN 44 -4.821 2.743 -7.505 314 1HB GLN 44 2HB GLN 44 -2.614 1.051 -8.724 315 2HB GLN 44 3HB GLN 44 -4.346 0.688 -8.696 316 1HG GLN 44 2HG GLN 44 -4.686 2.916 -9.931 317 2HG GLN 44 3HG GLN 44 -2.946 2.894 -10.223 318 1HE2 GLN 44 1HE2 GLN 44 -4.800 2.894 -12.356 319 2HE2 GLN 44 2HE2 GLN 44 -4.725 1.315 -13.133 320 H PHE 45 H PHE 45 -2.909 3.016 -5.116 321 HA PHE 45 HA PHE 45 -2.961 0.490 -3.736 322 1HB PHE 45 2HB PHE 45 -2.544 3.324 -2.999 323 2HB PHE 45 3HB PHE 45 -3.338 2.384 -1.752 324 HD1 PHE 45 1HD PHE 45 -0.620 1.556 -4.218 325 HD2 PHE 45 2HD PHE 45 -1.797 1.784 -0.083 326 HE1 PHE 45 1HE PHE 45 1.575 0.617 -3.532 327 HE2 PHE 45 2HE PHE 45 0.414 0.839 0.577 328 HZ PHE 45 HZ PHE 45 2.077 0.226 -1.140 329 HA PRO 46 HA PRO 46 -7.283 1.408 -2.046 330 1HB PRO 46 2HB PRO 46 -8.871 3.447 -2.891 331 2HB PRO 46 3HB PRO 46 -7.547 3.685 -1.721 332 1HG PRO 46 2HG PRO 46 -7.466 4.178 -4.709 333 2HG PRO 46 3HG PRO 46 -6.942 5.271 -3.386 334 1HD PRO 46 2HD PRO 46 -5.215 3.669 -4.746 335 2HD PRO 46 3HD PRO 46 -4.987 4.033 -3.009 336 H ILE 47 H ILE 47 -7.179 -0.526 -3.400 337 HA ILE 47 HA ILE 47 -9.394 -0.624 -5.421 338 HB ILE 47 HB ILE 47 -8.139 -2.367 -6.647 339 1HG1 ILE 47 2HG1 ILE 47 -5.667 -1.455 -5.109 340 2HG1 ILE 47 3HG1 ILE 47 -6.525 -2.939 -4.740 341 1HG2 ILE 47 1HG2 ILE 47 -8.280 -0.019 -7.388 342 2HG2 ILE 47 2HG2 ILE 47 -6.768 0.343 -6.538 343 3HG2 ILE 47 3HG2 ILE 47 -6.778 -0.787 -7.904 344 1HD1 ILE 47 1HD1 ILE 47 -4.628 -3.446 -6.151 345 2HD1 ILE 47 2HD1 ILE 47 -6.126 -3.770 -7.044 346 3HD1 ILE 47 3HD1 ILE 47 -5.173 -2.308 -7.392 347 H ASN 48 H ASN 48 -10.147 -0.974 -3.003 348 HA ASN 48 HA ASN 48 -11.052 -2.284 -1.384 349 1HB ASN 48 2HB ASN 48 -12.521 -2.821 -3.281 350 2HB ASN 48 3HB ASN 48 -11.509 -4.208 -3.689 351 1HD2 ASN 48 1HD2 ASN 48 -13.912 -5.049 -3.401 352 2HD2 ASN 48 2HD2 ASN 48 -14.228 -5.681 -1.788 353 H ILE 49 H ILE 49 -8.957 -2.350 -0.396 354 HA ILE 49 HA ILE 49 -7.124 -4.494 -0.569 355 HB ILE 49 HB ILE 49 -7.745 -2.703 1.798 356 1HG1 ILE 49 2HG1 ILE 49 -5.413 -2.481 -0.154 357 2HG1 ILE 49 3HG1 ILE 49 -6.932 -1.665 -0.472 358 1HG2 ILE 49 1HG2 ILE 49 -5.345 -4.528 1.275 359 2HG2 ILE 49 2HG2 ILE 49 -5.407 -3.306 2.559 360 3HG2 ILE 49 3HG2 ILE 49 -6.510 -4.668 2.606 361 1HD1 ILE 49 1HD1 ILE 49 -5.274 -1.173 2.031 362 2HD1 ILE 49 2HD1 ILE 49 -5.310 -0.163 0.577 363 3HD1 ILE 49 3HD1 ILE 49 -6.775 -0.356 1.563 364 H VAL 50 H VAL 50 -10.173 -4.292 1.173 365 HA VAL 50 HA VAL 50 -9.905 -6.535 2.899 366 HB VAL 50 HB VAL 50 -12.504 -5.529 1.709 367 1HG1 VAL 50 1HG1 VAL 50 -12.750 -7.660 2.917 368 2HG1 VAL 50 2HG1 VAL 50 -11.851 -7.002 4.302 369 3HG1 VAL 50 3HG1 VAL 50 -13.443 -6.344 3.863 370 1HG2 VAL 50 1HG2 VAL 50 -11.334 -3.620 2.719 371 2HG2 VAL 50 2HG2 VAL 50 -12.633 -4.138 3.790 372 3HG2 VAL 50 3HG2 VAL 50 -10.955 -4.582 4.166 373 H ALA 51 H ALA 51 -10.807 -6.406 -0.548 374 HA ALA 51 HA ALA 51 -11.530 -9.206 -0.764 375 1HB ALA 51 1HB ALA 51 -10.535 -7.261 -2.892 376 2HB ALA 51 2HB ALA 51 -11.279 -8.845 -3.179 377 3HB ALA 51 3HB ALA 51 -12.230 -7.551 -2.433 378 H VAL 52 H VAL 52 -8.477 -7.468 -1.578 379 HA VAL 52 HA VAL 52 -7.098 -9.915 -2.221 380 HB VAL 52 HB VAL 52 -5.153 -8.681 -2.664 381 1HG1 VAL 52 1HG1 VAL 52 -7.465 -6.844 -3.403 382 2HG1 VAL 52 2HG1 VAL 52 -5.910 -7.026 -4.235 383 3HG1 VAL 52 3HG1 VAL 52 -7.068 -8.367 -4.234 384 1HG2 VAL 52 1HG2 VAL 52 -4.873 -6.277 -2.145 385 2HG2 VAL 52 2HG2 VAL 52 -6.353 -6.339 -1.166 386 3HG2 VAL 52 3HG2 VAL 52 -4.923 -7.271 -0.685 387 H LYS 53 H LYS 53 -7.855 -8.851 0.817 388 HA LYS 53 HA LYS 53 -5.676 -10.512 2.023 389 1HB LYS 53 2HB LYS 53 -6.020 -9.461 4.099 390 2HB LYS 53 3HB LYS 53 -5.961 -8.170 2.900 391 1HG LYS 53 2HG LYS 53 -8.411 -8.042 2.915 392 2HG LYS 53 3HG LYS 53 -8.529 -9.356 4.080 393 1HD LYS 53 2HD LYS 53 -7.214 -6.672 4.599 394 2HD LYS 53 3HD LYS 53 -8.840 -7.145 5.112 395 1HE LYS 53 2HE LYS 53 -7.840 -9.072 6.393 396 2HE LYS 53 3HE LYS 53 -6.231 -8.464 5.994 397 1HZ LYS 53 1HZ LYS 53 -6.928 -7.682 8.174 398 2HZ LYS 53 2HZ LYS 53 -8.275 -6.984 7.560 399 3HZ LYS 53 3HZ LYS 53 -6.803 -6.395 7.169 400 H ASN 54 H ASN 54 -8.851 -10.898 1.028 401 HA ASN 54 HA ASN 54 -9.450 -12.983 3.089 402 1HB ASN 54 2HB ASN 54 -11.152 -11.535 1.028 403 2HB ASN 54 3HB ASN 54 -11.715 -12.959 1.896 404 1HD2 ASN 54 1HD2 ASN 54 -13.333 -10.974 2.313 405 2HD2 ASN 54 2HD2 ASN 54 -13.027 -10.223 3.872 406 H ASP 55 H ASP 55 -7.825 -12.866 0.258 407 HA ASP 55 HA ASP 55 -8.754 -15.218 -1.135 408 1HB ASP 55 2HB ASP 55 -7.031 -14.744 -2.677 409 2HB ASP 55 3HB ASP 55 -7.731 -13.205 -2.203 410 H HIS 56 H HIS 56 -8.258 -16.000 1.500 411 HA HIS 56 HA HIS 56 -5.681 -17.279 1.852 412 1HB HIS 56 2HB HIS 56 -7.032 -16.561 3.746 413 2HB HIS 56 3HB HIS 56 -8.323 -17.672 3.289 414 HD1 HIS 56 1HD HIS 56 -4.482 -18.451 3.701 415 HD2 HIS 56 2HD HIS 56 -8.328 -19.519 5.095 416 HE1 HIS 56 1HE HIS 56 -4.156 -20.422 5.263 417 H ASP 57 H ASP 57 -5.552 -18.244 -0.205 418 HA ASP 57 HA ASP 57 -6.430 -21.088 -0.322 419 1HB ASP 57 2HB ASP 57 -8.046 -19.758 -1.624 420 2HB ASP 57 3HB ASP 57 -6.735 -19.012 -2.534 421 H PHE 58 H PHE 58 -4.469 -21.998 -0.057 422 HA PHE 58 HA PHE 58 -2.256 -22.454 -0.131 423 1HB PHE 58 2HB PHE 58 -2.573 -21.780 -3.073 424 2HB PHE 58 3HB PHE 58 -1.239 -22.674 -2.367 425 HD1 PHE 58 2HD PHE 58 -1.616 -24.917 -1.290 426 HD2 PHE 58 1HD PHE 58 -4.667 -22.902 -3.577 427 HE1 PHE 58 2HE PHE 58 -2.846 -27.060 -1.542 428 HE2 PHE 58 1HE PHE 58 -5.899 -25.042 -3.821 429 HZ PHE 58 HZ PHE 58 -4.989 -27.127 -2.807 430 H LEU 59 H LEU 59 -2.761 -19.854 0.801 431 HA LEU 59 HA LEU 59 -0.125 -18.585 0.299 432 1HB LEU 59 2HB LEU 59 -2.050 -17.571 -1.064 433 2HB LEU 59 3HB LEU 59 -2.672 -16.926 0.446 434 HG LEU 59 HG LEU 59 0.180 -16.392 -0.516 435 1HD1 LEU 59 1HD1 LEU 59 -1.367 -15.712 -2.306 436 2HD1 LEU 59 2HD1 LEU 59 -0.641 -14.302 -1.524 437 3HD1 LEU 59 3HD1 LEU 59 -2.316 -14.763 -1.140 438 1HD2 LEU 59 1HD2 LEU 59 -1.695 -14.825 1.305 439 2HD2 LEU 59 2HD2 LEU 59 -0.092 -14.273 0.777 440 3HD2 LEU 59 3HD2 LEU 59 -0.228 -15.683 1.816 441 H GLU 60 H GLU 60 0.885 -18.001 2.069 442 HA GLU 60 HA GLU 60 0.226 -18.852 4.666 443 1HB GLU 60 2HB GLU 60 2.196 -16.723 3.733 444 2HB GLU 60 3HB GLU 60 2.157 -17.399 5.357 445 1HG GLU 60 2HG GLU 60 2.736 -18.919 2.780 446 2HG GLU 60 3HG GLU 60 3.917 -18.409 3.980 447 H LYS 61 H LYS 61 -1.640 -18.164 5.614 448 HA LYS 61 HA LYS 61 -2.806 -15.618 5.504 449 1HB LYS 61 2HB LYS 61 -3.735 -17.870 6.354 450 2HB LYS 61 3HB LYS 61 -3.036 -17.446 7.920 451 1HG LYS 61 2HG LYS 61 -4.434 -15.366 7.945 452 2HG LYS 61 3HG LYS 61 -5.042 -15.766 6.333 453 1HD LYS 61 2HD LYS 61 -6.725 -16.385 7.916 454 2HD LYS 61 3HD LYS 61 -6.035 -17.872 7.257 455 1HE LYS 61 2HE LYS 61 -4.590 -18.076 9.297 456 2HE LYS 61 3HE LYS 61 -5.313 -16.593 9.937 457 1HZ LYS 61 1HZ LYS 61 -6.789 -19.109 9.358 458 2HZ LYS 61 2HZ LYS 61 -7.473 -17.739 9.933 459 3HZ LYS 61 3HZ LYS 61 -6.399 -18.560 10.844 460 H ASP 62 H ASP 62 -0.274 -16.664 7.689 461 HA ASP 62 HA ASP 62 -0.291 -14.432 9.497 462 1HB ASP 62 2HB ASP 62 0.851 -16.602 9.886 463 2HB ASP 62 3HB ASP 62 2.015 -16.213 8.617 464 H LEU 63 H LEU 63 1.002 -14.729 6.226 465 HA LEU 63 HA LEU 63 2.601 -12.274 6.327 466 1HB LEU 63 2HB LEU 63 3.057 -14.369 4.908 467 2HB LEU 63 3HB LEU 63 1.666 -13.909 3.932 468 HG LEU 63 HG LEU 63 2.833 -11.771 3.325 469 1HD1 LEU 63 1HD1 LEU 63 5.227 -13.069 4.713 470 2HD1 LEU 63 2HD1 LEU 63 4.379 -11.615 5.273 471 3HD1 LEU 63 3HD1 LEU 63 5.251 -11.582 3.740 472 1HD2 LEU 63 1HD2 LEU 63 2.935 -13.727 1.849 473 2HD2 LEU 63 2HD2 LEU 63 4.342 -14.351 2.733 474 3HD2 LEU 63 3HD2 LEU 63 4.466 -12.838 1.808 475 H VAL 64 H VAL 64 -0.698 -13.115 5.694 476 HA VAL 64 HA VAL 64 -1.363 -10.847 4.008 477 HB VAL 64 HB VAL 64 -3.153 -12.825 5.461 478 1HG1 VAL 64 1HG1 VAL 64 -4.808 -12.149 3.707 479 2HG1 VAL 64 2HG1 VAL 64 -4.507 -10.925 4.941 480 3HG1 VAL 64 3HG1 VAL 64 -3.768 -10.759 3.324 481 1HG2 VAL 64 1HG2 VAL 64 -2.218 -12.677 2.558 482 2HG2 VAL 64 2HG2 VAL 64 -1.677 -13.874 3.748 483 3HG2 VAL 64 3HG2 VAL 64 -3.359 -13.865 3.225 484 H GLU 65 H GLU 65 -1.394 -11.366 7.478 485 HA GLU 65 HA GLU 65 -2.921 -9.082 8.292 486 1HB GLU 65 2HB GLU 65 -0.730 -10.712 9.582 487 2HB GLU 65 3HB GLU 65 -1.332 -9.254 10.370 488 1HG GLU 65 2HG GLU 65 -3.285 -11.376 9.427 489 2HG GLU 65 3HG GLU 65 -2.345 -11.623 10.893 490 HA PRO 66 HA PRO 66 0.929 -6.308 8.203 491 1HB PRO 66 2HB PRO 66 3.284 -7.108 7.025 492 2HB PRO 66 3HB PRO 66 2.895 -7.286 8.761 493 1HG PRO 66 2HG PRO 66 2.606 -9.361 6.579 494 2HG PRO 66 3HG PRO 66 3.333 -9.557 8.202 495 1HD PRO 66 2HD PRO 66 0.792 -10.319 7.665 496 2HD PRO 66 3HD PRO 66 1.216 -9.569 9.232 497 H LEU 67 H LEU 67 0.446 -8.423 5.341 498 HA LEU 67 HA LEU 67 0.879 -6.503 3.296 499 1HB LEU 67 2HB LEU 67 0.441 -8.857 2.804 500 2HB LEU 67 3HB LEU 67 -1.169 -8.731 3.504 501 HG LEU 67 HG LEU 67 -1.871 -7.179 1.706 502 1HD1 LEU 67 1HD1 LEU 67 0.309 -6.227 1.074 503 2HD1 LEU 67 2HD1 LEU 67 -0.479 -6.970 -0.321 504 3HD1 LEU 67 3HD1 LEU 67 0.854 -7.821 0.496 505 1HD2 LEU 67 1HD2 LEU 67 -2.295 -9.585 1.514 506 2HD2 LEU 67 2HD2 LEU 67 -0.713 -9.817 0.734 507 3HD2 LEU 67 3HD2 LEU 67 -1.982 -8.865 -0.070 508 H CYS 68 H CYS 68 -2.185 -7.162 5.071 509 HA CYS 68 HA CYS 68 -3.663 -4.968 3.998 510 1HB CYS 68 2HB CYS 68 -4.663 -6.843 5.257 511 2HB CYS 68 3HB CYS 68 -3.886 -6.268 6.749 512 HG CYS 68 HG CYS 68 -4.966 -3.793 6.606 513 H ARG 69 H ARG 69 -1.688 -5.105 6.999 514 HA ARG 69 HA ARG 69 -2.125 -2.422 7.847 515 1HB ARG 69 2HB ARG 69 0.295 -4.212 8.274 516 2HB ARG 69 3HB ARG 69 0.105 -2.622 9.005 517 1HG ARG 69 2HG ARG 69 -2.010 -3.362 10.104 518 2HG ARG 69 3HG ARG 69 -1.798 -4.971 9.407 519 1HD ARG 69 2HD ARG 69 -1.024 -4.986 11.706 520 2HD ARG 69 3HD ARG 69 0.349 -5.220 10.611 521 HE ARG 69 HE ARG 69 -0.106 -2.423 11.379 522 1HH1 ARG 69 1HH1 ARG 69 1.528 -5.313 12.462 523 2HH1 ARG 69 2HH1 ARG 69 2.758 -4.412 13.306 524 1HH2 ARG 69 1HH2 ARG 69 1.479 -1.329 12.445 525 2HH2 ARG 69 2HH2 ARG 69 2.722 -2.204 13.282 526 H ARG 70 H ARG 70 0.686 -3.538 5.907 527 HA ARG 70 HA ARG 70 1.792 -0.902 5.564 528 1HB ARG 70 2HB ARG 70 2.097 -3.353 3.768 529 2HB ARG 70 3HB ARG 70 3.068 -1.893 3.670 530 1HG ARG 70 2HG ARG 70 3.103 -3.999 5.839 531 2HG ARG 70 3HG ARG 70 4.393 -3.456 4.785 532 1HD ARG 70 2HD ARG 70 4.152 -1.161 6.008 533 2HD ARG 70 3HD ARG 70 3.218 -2.044 7.205 534 HE ARG 70 HE ARG 70 6.104 -2.119 6.767 535 1HH1 ARG 70 1HH1 ARG 70 3.530 -4.061 8.115 536 2HH1 ARG 70 2HH1 ARG 70 4.615 -4.907 9.189 537 1HH2 ARG 70 1HH2 ARG 70 7.415 -3.192 8.173 538 2HH2 ARG 70 2HH2 ARG 70 6.760 -4.432 9.194 539 H LEU 71 H LEU 71 -0.558 -2.619 3.531 540 HA LEU 71 HA LEU 71 -0.774 -0.523 1.553 541 1HB LEU 71 2HB LEU 71 -2.410 -2.920 2.309 542 2HB LEU 71 3HB LEU 71 -3.145 -1.669 1.323 543 HG LEU 71 HG LEU 71 -1.635 -1.908 -0.458 544 1HD1 LEU 71 1HD1 LEU 71 0.253 -3.509 -0.501 545 2HD1 LEU 71 2HD1 LEU 71 0.043 -3.790 1.239 546 3HD1 LEU 71 3HD1 LEU 71 0.522 -2.188 0.633 547 1HD2 LEU 71 1HD2 LEU 71 -1.921 -4.268 -1.091 548 2HD2 LEU 71 2HD2 LEU 71 -3.380 -3.648 -0.305 549 3HD2 LEU 71 3HD2 LEU 71 -2.265 -4.695 0.600 550 H ASN 72 H ASN 72 -2.778 -1.177 4.463 551 HA ASN 72 HA ASN 72 -4.461 1.080 4.271 552 1HB ASN 72 2HB ASN 72 -4.888 -0.831 5.728 553 2HB ASN 72 3HB ASN 72 -3.477 -0.446 6.711 554 1HD2 ASN 72 1HD2 ASN 72 -3.784 0.951 8.462 555 2HD2 ASN 72 2HD2 ASN 72 -5.268 1.871 8.677 556 H THR 73 H THR 73 -1.241 0.863 5.829 557 HA THR 73 HA THR 73 -1.012 3.358 7.039 558 HB THR 73 HB THR 73 1.126 1.857 5.471 559 HG1 THR 73 1HG THR 73 1.633 1.119 7.589 560 1HG2 THR 73 1HG2 THR 73 1.370 3.949 7.661 561 2HG2 THR 73 2HG2 THR 73 1.930 4.120 5.975 562 3HG2 THR 73 3HG2 THR 73 2.704 2.940 7.035 563 H LEU 74 H LEU 74 -0.050 2.664 3.650 564 HA LEU 74 HA LEU 74 0.294 5.492 2.990 565 1HB LEU 74 2HB LEU 74 0.249 2.931 1.373 566 2HB LEU 74 3HB LEU 74 0.542 4.504 0.643 567 HG LEU 74 HG LEU 74 2.285 3.266 2.832 568 1HD1 LEU 74 1HD1 LEU 74 2.511 2.003 0.766 569 2HD1 LEU 74 2HD1 LEU 74 3.952 2.984 1.025 570 3HD1 LEU 74 3HD1 LEU 74 2.741 3.500 -0.167 571 1HD2 LEU 74 1HD2 LEU 74 3.894 5.071 1.989 572 2HD2 LEU 74 2HD2 LEU 74 2.528 5.648 2.952 573 3HD2 LEU 74 3HD2 LEU 74 2.510 5.809 1.180 574 H ASN 75 H ASN 75 -2.382 3.199 2.665 575 HA ASN 75 HA ASN 75 -4.028 4.623 0.878 576 1HB ASN 75 2HB ASN 75 -4.386 2.304 1.798 577 2HB ASN 75 3HB ASN 75 -4.953 3.038 3.300 578 1HD2 ASN 75 1HD2 ASN 75 -5.873 1.970 0.179 579 2HD2 ASN 75 2HD2 ASN 75 -7.506 2.631 0.266 580 H LYS 76 H LYS 76 -3.589 5.179 4.372 581 HA LYS 76 HA LYS 76 -5.525 7.142 4.905 582 1HB LYS 76 2HB LYS 76 -3.858 6.131 6.526 583 2HB LYS 76 3HB LYS 76 -2.637 7.233 5.872 584 1HG LYS 76 2HG LYS 76 -4.263 9.151 6.485 585 2HG LYS 76 3HG LYS 76 -5.192 7.949 7.377 586 1HD LYS 76 2HD LYS 76 -2.277 8.732 7.823 587 2HD LYS 76 3HD LYS 76 -3.631 9.255 8.811 588 1HE LYS 76 2HE LYS 76 -2.724 6.354 8.505 589 2HE LYS 76 3HE LYS 76 -2.222 7.431 9.808 590 1HZ LYS 76 1HZ LYS 76 -4.085 6.082 10.516 591 2HZ LYS 76 2HZ LYS 76 -5.029 6.603 9.292 592 3HZ LYS 76 3HZ LYS 76 -4.560 7.640 10.467 593 H CYS 77 H CYS 77 -2.327 7.692 3.472 594 HA CYS 77 HA CYS 77 -2.735 10.524 2.918 595 1HB CYS 77 2HB CYS 77 -0.502 9.481 3.273 596 2HB CYS 77 3HB CYS 77 -0.707 8.543 1.782 597 HG CYS 77 HG CYS 77 -0.741 11.852 2.171 598 H ALA 78 H ALA 78 -2.694 7.605 0.794 599 HA ALA 78 HA ALA 78 -3.246 8.942 -1.611 600 1HB ALA 78 1HB ALA 78 -3.727 6.714 -2.498 601 2HB ALA 78 2HB ALA 78 -2.348 6.642 -1.385 602 3HB ALA 78 3HB ALA 78 -3.952 6.077 -0.857 603 H SER 79 H SER 79 -5.591 7.903 0.811 604 HA SER 79 HA SER 79 -7.972 8.188 -0.776 605 1HB SER 79 2HB SER 79 -7.711 6.929 1.393 606 2HB SER 79 3HB SER 79 -7.685 8.482 2.241 607 HG SER 79 HG SER 79 -9.796 8.876 1.350 608 H MET 80 H MET 80 -5.923 10.633 0.663 609 HA MET 80 HA MET 80 -8.005 12.693 0.812 610 1HB MET 80 2HB MET 80 -6.152 12.670 2.418 611 2HB MET 80 3HB MET 80 -4.985 12.892 1.108 612 1HG MET 80 2HG MET 80 -5.436 15.006 2.241 613 2HG MET 80 3HG MET 80 -5.953 15.072 0.563 614 1HE MET 80 1HE MET 80 -8.572 17.478 1.985 615 2HE MET 80 2HE MET 80 -6.835 17.377 2.349 616 3HE MET 80 3HE MET 80 -7.414 17.128 0.685 617 H LYS 81 H LYS 81 -8.874 13.027 -1.141 618 HA LYS 81 HA LYS 81 -7.462 13.429 -3.647 619 1HB LYS 81 2HB LYS 81 -10.295 14.107 -2.749 620 2HB LYS 81 3HB LYS 81 -9.675 14.361 -4.393 621 1HG LYS 81 2HG LYS 81 -9.237 11.973 -4.667 622 2HG LYS 81 3HG LYS 81 -9.696 11.653 -2.996 623 1HD LYS 81 2HD LYS 81 -11.460 10.965 -4.449 624 2HD LYS 81 3HD LYS 81 -12.030 12.302 -3.466 625 1HE LYS 81 2HE LYS 81 -10.936 12.778 -6.267 626 2HE LYS 81 3HE LYS 81 -12.564 12.140 -6.050 627 1HZ LYS 81 1HZ LYS 81 -13.125 14.092 -4.729 628 2HZ LYS 81 2HZ LYS 81 -12.622 14.538 -6.213 629 3HZ LYS 81 3HZ LYS 81 -11.631 14.726 -4.933 Start of MODEL 10 1 1H MET 1 1H MET 1 30.569 -6.350 -6.848 2 2H MET 1 2H MET 1 28.958 -6.538 -7.048 3 3H MET 1 3H MET 1 29.996 -7.511 -7.860 4 HA MET 1 HA MET 1 28.879 -8.565 -5.929 5 1HB MET 1 2HB MET 1 30.791 -9.799 -5.182 6 2HB MET 1 3HB MET 1 30.950 -9.502 -6.907 7 1HG MET 1 2HG MET 1 32.547 -7.630 -6.399 8 2HG MET 1 3HG MET 1 32.416 -8.026 -4.680 9 1HE MET 1 1HE MET 1 35.166 -7.765 -6.197 10 2HE MET 1 2HE MET 1 35.046 -8.209 -4.479 11 3HE MET 1 3HE MET 1 36.047 -9.179 -5.580 12 H HIS 2 H HIS 2 28.993 -8.897 -3.589 13 HA HIS 2 HA HIS 2 30.154 -6.738 -1.944 14 1HB HIS 2 2HB HIS 2 28.018 -6.583 -0.628 15 2HB HIS 2 3HB HIS 2 27.957 -5.877 -2.235 16 HD1 HIS 2 1HD HIS 2 26.112 -6.810 -3.876 17 HD2 HIS 2 2HD HIS 2 26.671 -9.037 -0.334 18 HE1 HIS 2 1HE HIS 2 24.254 -8.551 -3.824 19 H HIS 3 H HIS 3 30.684 -7.377 0.133 20 HA HIS 3 HA HIS 3 31.166 -10.210 0.556 21 1HB HIS 3 2HB HIS 3 32.774 -8.534 1.267 22 2HB HIS 3 3HB HIS 3 31.589 -7.766 2.321 23 HD1 HIS 3 1HD HIS 3 32.892 -11.464 2.074 24 HD2 HIS 3 2HD HIS 3 32.095 -8.328 4.786 25 HE1 HIS 3 1HE HIS 3 33.440 -12.365 4.389 26 H HIS 4 H HIS 4 29.328 -7.849 2.517 27 HA HIS 4 HA HIS 4 27.129 -9.748 2.989 28 1HB HIS 4 2HB HIS 4 28.909 -8.597 5.173 29 2HB HIS 4 3HB HIS 4 27.236 -9.019 5.499 30 HD1 HIS 4 1HD HIS 4 26.842 -11.812 4.249 31 HD2 HIS 4 2HD HIS 4 30.297 -10.498 6.284 32 HE1 HIS 4 1HE HIS 4 27.979 -13.901 5.137 33 H HIS 5 H HIS 5 25.310 -8.671 4.085 34 HA HIS 5 HA HIS 5 24.732 -6.094 2.847 35 1HB HIS 5 2HB HIS 5 23.040 -7.884 4.638 36 2HB HIS 5 3HB HIS 5 22.453 -6.537 3.664 37 HD1 HIS 5 1HD HIS 5 22.958 -6.919 0.846 38 HD2 HIS 5 2HD HIS 5 22.964 -10.222 3.473 39 HE1 HIS 5 1HE HIS 5 22.714 -8.991 -0.611 40 H HIS 6 H HIS 6 26.346 -6.664 5.643 41 HA HIS 6 HA HIS 6 24.986 -5.095 7.608 42 1HB HIS 6 2HB HIS 6 26.607 -6.951 8.026 43 2HB HIS 6 3HB HIS 6 27.917 -5.899 7.503 44 HD1 HIS 6 1HD HIS 6 25.189 -6.033 10.283 45 HD2 HIS 6 2HD HIS 6 28.954 -4.354 9.375 46 HE1 HIS 6 1HE HIS 6 25.986 -4.878 12.408 47 H HIS 7 H HIS 7 24.465 -3.189 6.512 48 HA HIS 7 HA HIS 7 26.623 -1.113 6.294 49 1HB HIS 7 2HB HIS 7 23.938 -1.360 4.889 50 2HB HIS 7 3HB HIS 7 24.950 0.083 4.846 51 HD1 HIS 7 1HD HIS 7 24.560 -3.218 3.127 52 HD2 HIS 7 2HD HIS 7 27.470 -0.219 3.686 53 HE1 HIS 7 1HE HIS 7 26.328 -3.582 1.308 54 H SER 8 H SER 8 23.090 -1.053 6.929 55 HA SER 8 HA SER 8 23.477 1.026 9.034 56 1HB SER 8 2HB SER 8 20.976 -0.038 7.660 57 2HB SER 8 3HB SER 8 20.990 1.192 8.935 58 HG SER 8 HG SER 8 22.280 1.383 6.394 59 H SER 9 H SER 9 22.763 0.790 11.122 60 HA SER 9 HA SER 9 21.765 -1.842 12.095 61 1HB SER 9 2HB SER 9 23.553 -1.927 13.788 62 2HB SER 9 3HB SER 9 24.172 -1.978 12.139 63 HG SER 9 HG SER 9 24.322 0.117 14.030 64 H GLY 10 H GLY 10 20.607 0.942 11.940 65 1HA GLY 10 2HA GLY 10 18.803 1.740 13.289 66 2HA GLY 10 1HA GLY 10 19.566 1.096 14.735 67 H LEU 11 H LEU 11 19.370 3.766 12.537 68 HA LEU 11 HA LEU 11 20.849 5.571 14.365 69 1HB LEU 11 2HB LEU 11 22.172 6.479 12.461 70 2HB LEU 11 3HB LEU 11 22.650 4.898 13.002 71 HG LEU 11 HG LEU 11 20.732 5.088 10.660 72 1HD1 LEU 11 1HD1 LEU 11 22.443 6.726 10.116 73 2HD1 LEU 11 2HD1 LEU 11 22.594 5.296 9.091 74 3HD1 LEU 11 3HD1 LEU 11 23.727 5.535 10.446 75 1HD2 LEU 11 1HD2 LEU 11 21.098 2.867 10.781 76 2HD2 LEU 11 2HD2 LEU 11 22.525 3.035 11.828 77 3HD2 LEU 11 3HD2 LEU 11 22.685 3.192 10.075 78 H VAL 12 H VAL 12 18.240 5.705 14.325 79 HA VAL 12 HA VAL 12 17.803 8.414 13.277 80 HB VAL 12 HB VAL 12 17.042 7.314 11.394 81 1HG1 VAL 12 1HG1 VAL 12 16.623 5.046 12.150 82 2HG1 VAL 12 2HG1 VAL 12 15.179 5.572 13.042 83 3HG1 VAL 12 3HG1 VAL 12 15.230 5.686 11.276 84 1HG2 VAL 12 1HG2 VAL 12 14.813 8.121 11.152 85 2HG2 VAL 12 2HG2 VAL 12 14.529 8.101 12.899 86 3HG2 VAL 12 3HG2 VAL 12 15.700 9.242 12.194 87 HA PRO 13 HA PRO 13 15.910 8.037 17.427 88 1HB PRO 13 2HB PRO 13 16.945 10.272 18.571 89 2HB PRO 13 3HB PRO 13 17.898 8.771 18.376 90 1HG PRO 13 2HG PRO 13 17.895 11.220 16.581 91 2HG PRO 13 3HG PRO 13 19.307 10.354 17.266 92 1HD PRO 13 2HD PRO 13 18.374 9.893 14.733 93 2HD PRO 13 3HD PRO 13 19.087 8.589 15.730 94 H ARG 14 H ARG 14 15.788 10.483 14.962 95 HA ARG 14 HA ARG 14 13.755 12.208 16.156 96 1HB ARG 14 2HB ARG 14 14.702 11.912 13.263 97 2HB ARG 14 3HB ARG 14 13.577 13.147 13.841 98 1HG ARG 14 2HG ARG 14 15.360 13.866 15.512 99 2HG ARG 14 3HG ARG 14 16.499 12.828 14.646 100 1HD ARG 14 2HD ARG 14 14.900 15.122 13.417 101 2HD ARG 14 3HD ARG 14 16.556 15.259 13.980 102 HE ARG 14 HE ARG 14 15.600 13.930 11.527 103 1HH1 ARG 14 1HH1 ARG 14 18.400 14.378 13.578 104 2HH1 ARG 14 2HH1 ARG 14 19.514 14.002 12.291 105 1HH2 ARG 14 1HH2 ARG 14 17.060 13.469 9.936 106 2HH2 ARG 14 2HH2 ARG 14 18.762 13.496 10.285 107 H GLY 15 H GLY 15 11.662 12.603 15.177 108 1HA GLY 15 2HA GLY 15 9.890 10.402 15.372 109 2HA GLY 15 1HA GLY 15 9.480 11.991 14.733 110 H SER 16 H SER 16 9.883 8.732 13.993 111 HA SER 16 HA SER 16 10.838 8.728 11.353 112 1HB SER 16 2HB SER 16 10.144 6.278 11.503 113 2HB SER 16 3HB SER 16 11.207 6.889 12.766 114 HG SER 16 HG SER 16 8.421 6.350 12.932 115 H GLN 17 H GLN 17 8.510 10.444 11.455 116 HA GLN 17 HA GLN 17 6.117 9.367 10.462 117 1HB GLN 17 2HB GLN 17 5.523 11.636 9.870 118 2HB GLN 17 3HB GLN 17 6.362 11.593 11.416 119 1HG GLN 17 2HG GLN 17 8.499 12.267 10.121 120 2HG GLN 17 3HG GLN 17 7.441 12.574 8.742 121 1HE2 GLN 17 1HE2 GLN 17 8.326 13.650 12.027 122 2HE2 GLN 17 2HE2 GLN 17 7.478 15.188 11.893 123 H GLU 18 H GLU 18 8.888 10.505 8.496 124 HA GLU 18 HA GLU 18 7.554 9.821 5.967 125 1HB GLU 18 2HB GLU 18 9.595 10.480 4.898 126 2HB GLU 18 3HB GLU 18 9.151 11.680 6.111 127 1HG GLU 18 2HG GLU 18 10.826 10.648 7.684 128 2HG GLU 18 3HG GLU 18 11.322 9.551 6.391 129 H ILE 19 H ILE 19 9.638 8.145 8.217 130 HA ILE 19 HA ILE 19 10.493 6.080 6.347 131 HB ILE 19 HB ILE 19 10.689 6.184 9.375 132 1HG1 ILE 19 2HG1 ILE 19 13.265 6.359 8.352 133 2HG1 ILE 19 3HG1 ILE 19 12.372 7.245 7.130 134 1HG2 ILE 19 1HG2 ILE 19 11.941 4.259 7.379 135 2HG2 ILE 19 2HG2 ILE 19 12.406 4.395 9.091 136 3HG2 ILE 19 3HG2 ILE 19 10.783 3.866 8.673 137 1HD1 ILE 19 1HD1 ILE 19 12.469 7.791 10.125 138 2HD1 ILE 19 2HD1 ILE 19 13.197 8.769 8.838 139 3HD1 ILE 19 3HD1 ILE 19 11.430 8.695 8.997 140 H GLU 20 H GLU 20 7.757 6.393 8.623 141 HA GLU 20 HA GLU 20 6.734 3.749 8.468 142 1HB GLU 20 2HB GLU 20 5.388 6.460 8.630 143 2HB GLU 20 3HB GLU 20 4.435 4.979 8.469 144 1HG GLU 20 2HG GLU 20 5.439 4.037 10.488 145 2HG GLU 20 3HG GLU 20 6.482 5.453 10.666 146 H ALA 21 H ALA 21 6.394 6.349 6.044 147 HA ALA 21 HA ALA 21 4.759 4.815 4.240 148 1HB ALA 21 1HB ALA 21 5.339 6.647 2.633 149 2HB ALA 21 2HB ALA 21 4.781 7.260 4.200 150 3HB ALA 21 3HB ALA 21 6.513 7.276 3.795 151 H LYS 22 H LYS 22 8.271 5.502 4.272 152 HA LYS 22 HA LYS 22 8.891 3.913 1.933 153 1HB LYS 22 2HB LYS 22 10.637 4.948 4.203 154 2HB LYS 22 3HB LYS 22 11.258 4.063 2.799 155 1HG LYS 22 2HG LYS 22 10.209 5.751 1.283 156 2HG LYS 22 3HG LYS 22 9.726 6.703 2.699 157 1HD LYS 22 2HD LYS 22 12.080 7.014 3.334 158 2HD LYS 22 3HD LYS 22 12.600 5.943 2.012 159 1HE LYS 22 2HE LYS 22 11.526 7.504 0.370 160 2HE LYS 22 3HE LYS 22 11.133 8.603 1.697 161 1HZ LYS 22 1HZ LYS 22 13.524 8.828 2.126 162 2HZ LYS 22 2HZ LYS 22 13.202 9.234 0.579 163 3HZ LYS 22 3HZ LYS 22 13.887 7.793 0.912 164 H GLU 23 H GLU 23 8.821 3.051 5.363 165 HA GLU 23 HA GLU 23 9.792 0.356 5.086 166 1HB GLU 23 2HB GLU 23 7.980 1.721 7.101 167 2HB GLU 23 3HB GLU 23 8.304 0.003 7.201 168 1HG GLU 23 2HG GLU 23 10.546 2.053 7.090 169 2HG GLU 23 3HG GLU 23 9.769 1.568 8.598 170 H ALA 24 H ALA 24 6.434 1.681 4.810 171 HA ALA 24 HA ALA 24 5.172 -0.819 4.410 172 1HB ALA 24 1HB ALA 24 4.423 1.906 3.273 173 2HB ALA 24 2HB ALA 24 3.370 0.486 3.325 174 3HB ALA 24 3HB ALA 24 3.916 1.236 4.837 175 H CYS 25 H CYS 25 6.326 1.387 1.758 176 HA CYS 25 HA CYS 25 5.735 -0.578 -0.244 177 1HB CYS 25 2HB CYS 25 6.934 0.845 -1.799 178 2HB CYS 25 3HB CYS 25 5.866 1.795 -0.762 179 HG CYS 25 HG CYS 25 8.026 3.168 -1.244 180 H ASP 26 H ASP 26 8.846 0.034 1.476 181 HA ASP 26 HA ASP 26 10.356 -1.937 0.050 182 1HB ASP 26 2HB ASP 26 11.312 -0.167 1.507 183 2HB ASP 26 3HB ASP 26 10.679 -1.007 2.928 184 H TRP 27 H TRP 27 8.276 -2.268 2.952 185 HA TRP 27 HA TRP 27 8.977 -4.948 3.567 186 1HB TRP 27 2HB TRP 27 7.844 -3.402 5.115 187 2HB TRP 27 3HB TRP 27 6.363 -3.524 4.158 188 HD1 TRP 27 HD1 TRP 27 8.463 -5.270 6.752 189 HE1 TRP 27 1HE TRP 27 7.361 -7.461 7.539 190 HE3 TRP 27 3HE TRP 27 4.585 -5.487 3.411 191 HZ2 TRP 27 2HZ TRP 27 5.282 -9.233 6.616 192 HZ3 TRP 27 3HZ TRP 27 3.107 -7.482 3.328 193 HH2 TRP 27 HH2 TRP 27 3.470 -9.362 4.878 194 H LEU 28 H LEU 28 6.139 -3.787 1.610 195 HA LEU 28 HA LEU 28 5.217 -6.455 1.038 196 1HB LEU 28 2HB LEU 28 4.806 -3.851 -0.459 197 2HB LEU 28 3HB LEU 28 4.172 -5.385 -1.022 198 HG LEU 28 HG LEU 28 3.078 -5.522 1.394 199 1HD1 LEU 28 1HD1 LEU 28 3.486 -2.530 0.934 200 2HD1 LEU 28 2HD1 LEU 28 3.961 -3.481 2.363 201 3HD1 LEU 28 3HD1 LEU 28 2.248 -3.202 1.996 202 1HD2 LEU 28 1HD2 LEU 28 1.849 -5.476 -0.715 203 2HD2 LEU 28 2HD2 LEU 28 2.049 -3.702 -0.814 204 3HD2 LEU 28 3HD2 LEU 28 1.071 -4.431 0.471 205 H ARG 29 H ARG 29 7.624 -4.470 -0.623 206 HA ARG 29 HA ARG 29 8.141 -6.220 -2.861 207 1HB ARG 29 2HB ARG 29 9.848 -4.144 -1.430 208 2HB ARG 29 3HB ARG 29 10.438 -5.050 -2.828 209 1HG ARG 29 2HG ARG 29 8.790 -4.115 -4.284 210 2HG ARG 29 3HG ARG 29 7.819 -3.559 -2.929 211 1HD ARG 29 2HD ARG 29 8.775 -1.646 -3.892 212 2HD ARG 29 3HD ARG 29 9.595 -1.906 -2.345 213 HE ARG 29 HE ARG 29 11.171 -3.165 -4.330 214 1HH1 ARG 29 1HH1 ARG 29 10.182 0.111 -3.612 215 2HH1 ARG 29 2HH1 ARG 29 11.589 0.807 -4.365 216 1HH2 ARG 29 1HH2 ARG 29 12.954 -2.217 -5.278 217 2HH2 ARG 29 2HH2 ARG 29 13.114 -0.487 -5.273 218 H ALA 30 H ALA 30 9.829 -6.029 0.288 219 HA ALA 30 HA ALA 30 11.447 -8.355 -0.159 220 1HB ALA 30 1HB ALA 30 10.555 -7.047 2.449 221 2HB ALA 30 2HB ALA 30 11.905 -8.188 2.255 222 3HB ALA 30 3HB ALA 30 11.978 -6.595 1.479 223 H ALA 31 H ALA 31 8.202 -8.036 1.286 224 HA ALA 31 HA ALA 31 7.951 -10.656 2.349 225 1HB ALA 31 1HB ALA 31 5.546 -10.089 2.445 226 2HB ALA 31 2HB ALA 31 6.547 -8.734 2.989 227 3HB ALA 31 3HB ALA 31 5.817 -8.710 1.367 228 H GLY 32 H GLY 32 7.558 -9.550 -0.951 229 1HA GLY 32 2HA GLY 32 7.866 -11.326 -2.659 230 2HA GLY 32 1HA GLY 32 6.679 -12.304 -1.804 231 H PHE 33 H PHE 33 5.654 -9.042 -1.869 232 HA PHE 33 HA PHE 33 4.126 -9.415 -4.416 233 1HB PHE 33 2HB PHE 33 2.966 -8.231 -1.886 234 2HB PHE 33 3HB PHE 33 2.165 -8.514 -3.429 235 HD1 PHE 33 2HD PHE 33 2.215 -11.081 -4.266 236 HD2 PHE 33 1HD PHE 33 2.549 -9.760 -0.171 237 HE1 PHE 33 2HE PHE 33 1.426 -13.300 -3.481 238 HE2 PHE 33 1HE PHE 33 1.729 -11.964 0.603 239 HZ PHE 33 HZ PHE 33 1.193 -13.752 -1.045 240 HA PRO 34 HA PRO 34 6.501 -5.372 -4.198 241 1HB PRO 34 2HB PRO 34 7.829 -5.530 -6.601 242 2HB PRO 34 3HB PRO 34 8.429 -6.306 -5.108 243 1HG PRO 34 2HG PRO 34 6.818 -7.589 -7.329 244 2HG PRO 34 3HG PRO 34 8.331 -8.182 -6.567 245 1HD PRO 34 2HD PRO 34 5.912 -9.101 -5.770 246 2HD PRO 34 3HD PRO 34 7.208 -8.779 -4.577 247 H GLN 35 H GLN 35 4.479 -6.836 -6.645 248 HA GLN 35 HA GLN 35 3.862 -4.702 -8.333 249 1HB GLN 35 2HB GLN 35 1.797 -5.887 -8.826 250 2HB GLN 35 3HB GLN 35 3.155 -7.001 -8.698 251 1HG GLN 35 2HG GLN 35 2.352 -7.499 -6.291 252 2HG GLN 35 3HG GLN 35 0.898 -6.586 -6.695 253 1HE2 GLN 35 1HE2 GLN 35 -0.735 -7.639 -7.946 254 2HE2 GLN 35 2HE2 GLN 35 -0.516 -9.293 -8.501 255 H TYR 36 H TYR 36 2.384 -5.378 -5.135 256 HA TYR 36 HA TYR 36 0.472 -3.224 -5.290 257 1HB TYR 36 2HB TYR 36 1.605 -4.664 -2.887 258 2HB TYR 36 3HB TYR 36 0.149 -3.668 -2.895 259 HD1 TYR 36 1HD TYR 36 -1.230 -4.631 -5.406 260 HD2 TYR 36 2HD TYR 36 0.826 -6.796 -2.286 261 HE1 TYR 36 1HE TYR 36 -2.470 -6.698 -6.006 262 HE2 TYR 36 2HE TYR 36 -0.429 -8.851 -2.884 263 HH TYR 36 HH TYR 36 -1.859 -9.831 -4.406 264 H ALA 37 H ALA 37 3.651 -3.462 -3.628 265 HA ALA 37 HA ALA 37 3.832 -0.828 -2.620 266 1HB ALA 37 1HB ALA 37 6.300 -1.225 -2.803 267 2HB ALA 37 2HB ALA 37 5.420 -2.552 -2.032 268 3HB ALA 37 3HB ALA 37 5.950 -2.702 -3.720 269 H GLN 38 H GLN 38 4.886 -2.033 -5.839 270 HA GLN 38 HA GLN 38 5.878 0.445 -6.821 271 1HB GLN 38 2HB GLN 38 4.845 -2.083 -8.150 272 2HB GLN 38 3HB GLN 38 5.377 -0.712 -9.112 273 1HG GLN 38 2HG GLN 38 7.106 -2.147 -7.045 274 2HG GLN 38 3HG GLN 38 7.167 -2.404 -8.789 275 1HE2 GLN 38 1HE2 GLN 38 7.456 -0.146 -10.089 276 2HE2 GLN 38 2HE2 GLN 38 8.682 0.891 -9.371 277 H LEU 39 H LEU 39 2.547 -0.616 -6.584 278 HA LEU 39 HA LEU 39 1.504 1.422 -8.392 279 1HB LEU 39 2HB LEU 39 0.220 -0.522 -6.448 280 2HB LEU 39 3HB LEU 39 -0.719 0.633 -7.360 281 HG LEU 39 HG LEU 39 1.141 -1.344 -8.733 282 1HD1 LEU 39 1HD1 LEU 39 -1.824 -1.622 -8.089 283 2HD1 LEU 39 2HD1 LEU 39 -0.504 -2.619 -7.448 284 3HD1 LEU 39 3HD1 LEU 39 -0.902 -2.695 -9.168 285 1HD2 LEU 39 1HD2 LEU 39 -0.144 -0.917 -10.707 286 2HD2 LEU 39 2HD2 LEU 39 0.348 0.655 -10.067 287 3HD2 LEU 39 3HD2 LEU 39 -1.313 0.071 -9.820 288 H TYR 40 H TYR 40 2.884 1.861 -5.381 289 HA TYR 40 HA TYR 40 1.100 3.661 -4.106 290 1HB TYR 40 2HB TYR 40 3.067 2.715 -2.980 291 2HB TYR 40 3HB TYR 40 4.135 3.574 -4.071 292 HD1 TYR 40 2HD TYR 40 1.053 4.795 -2.216 293 HD2 TYR 40 1HD TYR 40 5.344 5.030 -2.684 294 HE1 TYR 40 2HE TYR 40 1.127 6.712 -0.640 295 HE2 TYR 40 1HE TYR 40 5.408 6.929 -1.082 296 HH TYR 40 HH TYR 40 4.187 8.334 0.260 297 H GLU 41 H GLU 41 3.936 4.588 -6.142 298 HA GLU 41 HA GLU 41 3.152 7.366 -6.232 299 1HB GLU 41 2HB GLU 41 5.077 5.843 -8.032 300 2HB GLU 41 3HB GLU 41 4.901 7.602 -7.947 301 1HG GLU 41 2HG GLU 41 5.452 7.440 -5.463 302 2HG GLU 41 3HG GLU 41 5.903 5.755 -5.745 303 H ASP 42 H ASP 42 2.256 4.655 -8.228 304 HA ASP 42 HA ASP 42 0.981 6.180 -10.372 305 1HB ASP 42 2HB ASP 42 0.873 3.297 -9.439 306 2HB ASP 42 3HB ASP 42 -0.203 3.892 -10.691 307 H SER 43 H SER 43 0.189 5.839 -7.108 308 HA SER 43 HA SER 43 -1.563 6.298 -5.824 309 1HB SER 43 2HB SER 43 -1.556 8.294 -7.547 310 2HB SER 43 3HB SER 43 -3.123 7.622 -8.023 311 HG SER 43 HG SER 43 -3.308 9.163 -6.329 312 H GLN 44 H GLN 44 -1.517 3.763 -6.995 313 HA GLN 44 HA GLN 44 -4.416 3.010 -7.035 314 1HB GLN 44 2HB GLN 44 -2.164 1.760 -8.633 315 2HB GLN 44 3HB GLN 44 -3.832 1.162 -8.542 316 1HG GLN 44 2HG GLN 44 -4.559 3.442 -9.448 317 2HG GLN 44 3HG GLN 44 -2.852 3.749 -9.780 318 1HE2 GLN 44 1HE2 GLN 44 -4.297 3.932 -11.986 319 2HE2 GLN 44 2HE2 GLN 44 -4.203 2.454 -12.942 320 H PHE 45 H PHE 45 -2.629 3.199 -4.718 321 HA PHE 45 HA PHE 45 -2.279 0.531 -3.645 322 1HB PHE 45 2HB PHE 45 -1.979 3.265 -2.692 323 2HB PHE 45 3HB PHE 45 -2.888 2.328 -1.525 324 HD1 PHE 45 2HD PHE 45 0.029 1.563 -3.795 325 HD2 PHE 45 1HD PHE 45 -1.532 1.578 0.226 326 HE1 PHE 45 2HE PHE 45 2.148 0.610 -2.960 327 HE2 PHE 45 1HE PHE 45 0.613 0.610 1.044 328 HZ PHE 45 HZ PHE 45 2.430 0.078 -0.552 329 HA PRO 46 HA PRO 46 -6.630 0.833 -1.767 330 1HB PRO 46 2HB PRO 46 -8.406 2.828 -2.319 331 2HB PRO 46 3HB PRO 46 -7.078 3.014 -1.147 332 1HG PRO 46 2HG PRO 46 -7.084 3.894 -4.042 333 2HG PRO 46 3HG PRO 46 -6.647 4.850 -2.586 334 1HD PRO 46 2HD PRO 46 -4.790 3.620 -4.124 335 2HD PRO 46 3HD PRO 46 -4.605 3.729 -2.349 336 H ILE 47 H ILE 47 -6.399 -0.897 -3.403 337 HA ILE 47 HA ILE 47 -8.687 -0.903 -5.338 338 HB ILE 47 HB ILE 47 -7.350 -2.292 -6.873 339 1HG1 ILE 47 2HG1 ILE 47 -4.856 -1.284 -5.448 340 2HG1 ILE 47 3HG1 ILE 47 -5.491 -2.870 -5.127 341 1HG2 ILE 47 1HG2 ILE 47 -7.784 0.136 -7.206 342 2HG2 ILE 47 2HG2 ILE 47 -6.234 0.507 -6.425 343 3HG2 ILE 47 3HG2 ILE 47 -6.273 -0.390 -7.953 344 1HD1 ILE 47 1HD1 ILE 47 -5.300 -3.492 -7.512 345 2HD1 ILE 47 2HD1 ILE 47 -4.563 -1.909 -7.858 346 3HD1 ILE 47 3HD1 ILE 47 -3.744 -3.055 -6.782 347 H ASN 48 H ASN 48 -9.792 -1.785 -3.521 348 HA ASN 48 HA ASN 48 -10.757 -3.470 -2.308 349 1HB ASN 48 2HB ASN 48 -9.953 -5.194 -4.685 350 2HB ASN 48 3HB ASN 48 -11.177 -5.574 -3.488 351 1HD2 ASN 48 1HD2 ASN 48 -13.287 -5.031 -4.024 352 2HD2 ASN 48 2HD2 ASN 48 -13.662 -3.883 -5.303 353 H ILE 49 H ILE 49 -8.946 -3.070 -0.809 354 HA ILE 49 HA ILE 49 -6.635 -4.659 -0.590 355 HB ILE 49 HB ILE 49 -8.211 -3.230 1.583 356 1HG1 ILE 49 2HG1 ILE 49 -5.794 -2.348 -0.077 357 2HG1 ILE 49 3HG1 ILE 49 -7.449 -1.805 -0.330 358 1HG2 ILE 49 1HG2 ILE 49 -5.364 -4.313 1.631 359 2HG2 ILE 49 2HG2 ILE 49 -6.008 -3.175 2.830 360 3HG2 ILE 49 3HG2 ILE 49 -6.726 -4.762 2.705 361 1HD1 ILE 49 1HD1 ILE 49 -5.666 -1.138 2.020 362 2HD1 ILE 49 2HD1 ILE 49 -6.417 -0.073 0.828 363 3HD1 ILE 49 3HD1 ILE 49 -7.432 -0.883 2.040 364 H VAL 50 H VAL 50 -9.886 -5.574 0.240 365 HA VAL 50 HA VAL 50 -9.121 -7.959 1.790 366 HB VAL 50 HB VAL 50 -11.811 -7.159 0.613 367 1HG1 VAL 50 1HG1 VAL 50 -11.789 -9.550 1.182 368 2HG1 VAL 50 2HG1 VAL 50 -11.087 -9.189 2.776 369 3HG1 VAL 50 3HG1 VAL 50 -12.738 -8.665 2.374 370 1HG2 VAL 50 1HG2 VAL 50 -12.332 -6.418 2.940 371 2HG2 VAL 50 2HG2 VAL 50 -10.642 -6.725 3.402 372 3HG2 VAL 50 3HG2 VAL 50 -11.041 -5.457 2.223 373 H ALA 51 H ALA 51 -9.736 -7.253 -1.629 374 HA ALA 51 HA ALA 51 -10.202 -10.003 -2.444 375 1HB ALA 51 1HB ALA 51 -9.993 -9.111 -4.710 376 2HB ALA 51 2HB ALA 51 -11.027 -8.054 -3.731 377 3HB ALA 51 3HB ALA 51 -9.347 -7.583 -4.091 378 H VAL 52 H VAL 52 -7.341 -7.856 -2.464 379 HA VAL 52 HA VAL 52 -5.525 -9.658 -3.710 380 HB VAL 52 HB VAL 52 -3.705 -8.311 -2.732 381 1HG1 VAL 52 1HG1 VAL 52 -4.280 -6.210 -3.846 382 2HG1 VAL 52 2HG1 VAL 52 -4.848 -7.589 -4.801 383 3HG1 VAL 52 3HG1 VAL 52 -6.002 -6.635 -3.842 384 1HG2 VAL 52 1HG2 VAL 52 -4.719 -7.773 -0.522 385 2HG2 VAL 52 2HG2 VAL 52 -4.141 -6.343 -1.391 386 3HG2 VAL 52 3HG2 VAL 52 -5.875 -6.707 -1.355 387 H LYS 53 H LYS 53 -6.775 -9.873 -0.514 388 HA LYS 53 HA LYS 53 -4.671 -11.489 0.686 389 1HB LYS 53 2HB LYS 53 -7.657 -11.505 1.328 390 2HB LYS 53 3HB LYS 53 -6.350 -12.077 2.353 391 1HG LYS 53 2HG LYS 53 -7.015 -9.208 1.633 392 2HG LYS 53 3HG LYS 53 -7.044 -9.987 3.215 393 1HD LYS 53 2HD LYS 53 -4.490 -10.351 2.872 394 2HD LYS 53 3HD LYS 53 -4.610 -9.207 1.547 395 1HE LYS 53 2HE LYS 53 -5.800 -8.471 4.226 396 2HE LYS 53 3HE LYS 53 -4.043 -8.444 4.059 397 1HZ LYS 53 1HZ LYS 53 -4.242 -6.878 2.253 398 2HZ LYS 53 2HZ LYS 53 -5.143 -6.296 3.498 399 3HZ LYS 53 3HZ LYS 53 -5.869 -7.004 2.212 400 H ASN 54 H ASN 54 -7.243 -12.225 -1.507 401 HA ASN 54 HA ASN 54 -7.002 -15.164 -1.140 402 1HB ASN 54 2HB ASN 54 -8.972 -13.384 -2.644 403 2HB ASN 54 3HB ASN 54 -8.981 -15.139 -2.747 404 1HD2 ASN 54 1HD2 ASN 54 -9.945 -12.430 -0.744 405 2HD2 ASN 54 2HD2 ASN 54 -10.616 -13.455 0.517 406 H ASP 55 H ASP 55 -5.056 -13.145 -2.676 407 HA ASP 55 HA ASP 55 -4.911 -14.237 -5.353 408 1HB ASP 55 2HB ASP 55 -4.187 -11.953 -4.776 409 2HB ASP 55 3HB ASP 55 -2.906 -12.608 -3.750 410 H HIS 56 H HIS 56 -5.051 -16.463 -4.496 411 HA HIS 56 HA HIS 56 -4.249 -18.546 -4.027 412 1HB HIS 56 2HB HIS 56 -2.088 -17.598 -5.933 413 2HB HIS 56 3HB HIS 56 -2.518 -19.276 -5.601 414 HD1 HIS 56 1HD HIS 56 -3.601 -16.351 -7.743 415 HD2 HIS 56 2HD HIS 56 -5.035 -20.099 -6.433 416 HE1 HIS 56 1HE HIS 56 -5.558 -16.941 -9.267 417 H ASP 57 H ASP 57 -3.724 -17.224 -1.829 418 HA ASP 57 HA ASP 57 -1.035 -17.157 -0.865 419 1HB ASP 57 2HB ASP 57 -2.084 -16.816 1.308 420 2HB ASP 57 3HB ASP 57 -2.761 -15.768 0.075 421 H PHE 58 H PHE 58 0.175 -18.967 -0.956 422 HA PHE 58 HA PHE 58 -1.044 -21.606 -0.512 423 1HB PHE 58 2HB PHE 58 0.486 -21.003 -2.436 424 2HB PHE 58 3HB PHE 58 1.821 -21.010 -1.298 425 HD1 PHE 58 2HD PHE 58 -0.933 -23.059 -2.777 426 HD2 PHE 58 1HD PHE 58 2.793 -23.142 -0.601 427 HE1 PHE 58 2HE PHE 58 -0.821 -25.522 -3.065 428 HE2 PHE 58 1HE PHE 58 2.903 -25.609 -0.895 429 HZ PHE 58 HZ PHE 58 1.093 -26.802 -2.118 430 H LEU 59 H LEU 59 -1.510 -21.293 1.683 431 HA LEU 59 HA LEU 59 -1.288 -21.420 3.932 432 1HB LEU 59 2HB LEU 59 -0.066 -23.572 3.064 433 2HB LEU 59 3HB LEU 59 1.386 -22.809 3.690 434 HG LEU 59 HG LEU 59 -1.144 -23.478 5.272 435 1HD1 LEU 59 1HD1 LEU 59 0.022 -25.485 4.577 436 2HD1 LEU 59 2HD1 LEU 59 0.324 -25.232 6.303 437 3HD1 LEU 59 3HD1 LEU 59 1.585 -24.826 5.114 438 1HD2 LEU 59 1HD2 LEU 59 0.009 -21.610 6.364 439 2HD2 LEU 59 2HD2 LEU 59 1.555 -22.493 6.285 440 3HD2 LEU 59 3HD2 LEU 59 0.221 -23.091 7.301 441 H GLU 60 H GLU 60 -0.960 -19.074 3.160 442 HA GLU 60 HA GLU 60 1.409 -17.827 4.519 443 1HB GLU 60 2HB GLU 60 0.113 -17.151 1.859 444 2HB GLU 60 3HB GLU 60 1.217 -16.052 2.694 445 1HG GLU 60 2HG GLU 60 3.017 -17.674 2.623 446 2HG GLU 60 3HG GLU 60 1.967 -18.880 1.887 447 H LYS 61 H LYS 61 -1.489 -18.309 5.392 448 HA LYS 61 HA LYS 61 -2.879 -15.844 5.611 449 1HB LYS 61 2HB LYS 61 -3.761 -18.150 6.047 450 2HB LYS 61 3HB LYS 61 -2.915 -18.142 7.604 451 1HG LYS 61 2HG LYS 61 -4.303 -16.252 8.373 452 2HG LYS 61 3HG LYS 61 -4.968 -16.060 6.750 453 1HD LYS 61 2HD LYS 61 -6.676 -17.082 7.901 454 2HD LYS 61 3HD LYS 61 -5.971 -18.418 7.009 455 1HE LYS 61 2HE LYS 61 -5.400 -17.755 9.947 456 2HE LYS 61 3HE LYS 61 -6.661 -18.862 9.408 457 1HZ LYS 61 1HZ LYS 61 -4.912 -20.238 8.375 458 2HZ LYS 61 2HZ LYS 61 -4.728 -20.117 9.990 459 3HZ LYS 61 3HZ LYS 61 -3.752 -19.264 9.009 460 H ASP 62 H ASP 62 -0.102 -16.871 7.439 461 HA ASP 62 HA ASP 62 -0.213 -14.931 9.579 462 1HB ASP 62 2HB ASP 62 1.294 -16.869 9.575 463 2HB ASP 62 3HB ASP 62 2.141 -16.241 8.160 464 H LEU 63 H LEU 63 0.878 -14.715 6.207 465 HA LEU 63 HA LEU 63 2.126 -12.101 6.502 466 1HB LEU 63 2HB LEU 63 2.700 -14.149 4.930 467 2HB LEU 63 3HB LEU 63 1.429 -13.500 3.904 468 HG LEU 63 HG LEU 63 2.728 -11.338 3.766 469 1HD1 LEU 63 1HD1 LEU 63 4.090 -11.519 5.845 470 2HD1 LEU 63 2HD1 LEU 63 5.138 -11.409 4.431 471 3HD1 LEU 63 3HD1 LEU 63 4.873 -12.979 5.213 472 1HD2 LEU 63 1HD2 LEU 63 4.388 -12.206 2.216 473 2HD2 LEU 63 2HD2 LEU 63 2.930 -13.198 2.081 474 3HD2 LEU 63 3HD2 LEU 63 4.330 -13.810 2.972 475 H VAL 64 H VAL 64 -1.036 -13.228 5.819 476 HA VAL 64 HA VAL 64 -2.147 -11.033 4.340 477 HB VAL 64 HB VAL 64 -3.293 -13.250 6.028 478 1HG1 VAL 64 1HG1 VAL 64 -5.572 -12.617 5.116 479 2HG1 VAL 64 2HG1 VAL 64 -4.964 -11.681 6.484 480 3HG1 VAL 64 3HG1 VAL 64 -4.913 -10.991 4.863 481 1HG2 VAL 64 1HG2 VAL 64 -2.395 -13.773 3.795 482 2HG2 VAL 64 2HG2 VAL 64 -4.143 -14.017 3.862 483 3HG2 VAL 64 3HG2 VAL 64 -3.483 -12.572 3.070 484 H GLU 65 H GLU 65 -1.692 -11.430 7.842 485 HA GLU 65 HA GLU 65 -3.182 -9.114 8.672 486 1HB GLU 65 2HB GLU 65 -1.009 -10.785 9.920 487 2HB GLU 65 3HB GLU 65 -1.371 -9.198 10.606 488 1HG GLU 65 2HG GLU 65 -3.770 -9.850 10.806 489 2HG GLU 65 3HG GLU 65 -3.357 -11.467 10.227 490 HA PRO 66 HA PRO 66 0.650 -6.362 8.473 491 1HB PRO 66 2HB PRO 66 3.007 -7.137 7.301 492 2HB PRO 66 3HB PRO 66 2.605 -7.387 9.026 493 1HG PRO 66 2HG PRO 66 2.280 -9.369 6.754 494 2HG PRO 66 3HG PRO 66 3.051 -9.639 8.347 495 1HD PRO 66 2HD PRO 66 0.497 -10.369 7.864 496 2HD PRO 66 3HD PRO 66 0.954 -9.650 9.436 497 H LEU 67 H LEU 67 0.107 -8.443 5.635 498 HA LEU 67 HA LEU 67 0.495 -6.502 3.588 499 1HB LEU 67 2HB LEU 67 0.158 -8.881 3.152 500 2HB LEU 67 3HB LEU 67 -1.473 -8.809 3.812 501 HG LEU 67 HG LEU 67 -2.203 -7.386 1.946 502 1HD1 LEU 67 1HD1 LEU 67 -0.740 -7.068 -0.031 503 2HD1 LEU 67 2HD1 LEU 67 0.633 -7.730 0.884 504 3HD1 LEU 67 3HD1 LEU 67 -0.134 -6.203 1.384 505 1HD2 LEU 67 1HD2 LEU 67 -2.276 -9.881 1.780 506 2HD2 LEU 67 2HD2 LEU 67 -0.706 -9.846 0.967 507 3HD2 LEU 67 3HD2 LEU 67 -2.116 -9.081 0.205 508 H CYS 68 H CYS 68 -2.343 -7.055 5.724 509 HA CYS 68 HA CYS 68 -3.944 -4.894 4.613 510 1HB CYS 68 2HB CYS 68 -4.770 -6.845 6.082 511 2HB CYS 68 3HB CYS 68 -4.043 -6.002 7.453 512 HG CYS 68 HG CYS 68 -6.416 -4.974 5.346 513 H ARG 69 H ARG 69 -1.797 -5.048 7.472 514 HA ARG 69 HA ARG 69 -2.080 -2.381 8.361 515 1HB ARG 69 2HB ARG 69 0.373 -4.189 8.514 516 2HB ARG 69 3HB ARG 69 0.267 -2.600 9.265 517 1HG ARG 69 2HG ARG 69 -1.781 -3.339 10.497 518 2HG ARG 69 3HG ARG 69 -1.517 -4.985 9.905 519 1HD ARG 69 2HD ARG 69 0.377 -5.308 11.212 520 2HD ARG 69 3HD ARG 69 0.831 -3.611 11.209 521 HE ARG 69 HE ARG 69 -0.897 -4.947 13.133 522 1HH1 ARG 69 1HH1 ARG 69 -0.153 -1.788 11.814 523 2HH1 ARG 69 2HH1 ARG 69 -0.824 -0.952 13.184 524 1HH2 ARG 69 1HH2 ARG 69 -1.731 -3.819 14.856 525 2HH2 ARG 69 2HH2 ARG 69 -1.685 -2.080 14.860 526 H ARG 70 H ARG 70 0.573 -3.472 6.232 527 HA ARG 70 HA ARG 70 1.635 -0.814 5.881 528 1HB ARG 70 2HB ARG 70 1.943 -3.314 4.170 529 2HB ARG 70 3HB ARG 70 2.913 -1.845 3.995 530 1HG ARG 70 2HG ARG 70 2.938 -3.837 6.284 531 2HG ARG 70 3HG ARG 70 4.220 -3.426 5.150 532 1HD ARG 70 2HD ARG 70 4.039 -1.019 6.200 533 2HD ARG 70 3HD ARG 70 3.170 -1.843 7.502 534 HE ARG 70 HE ARG 70 5.643 -3.207 6.906 535 1HH1 ARG 70 1HH1 ARG 70 4.516 -0.353 8.580 536 2HH1 ARG 70 2HH1 ARG 70 5.917 -0.292 9.613 537 1HH2 ARG 70 1HH2 ARG 70 7.426 -3.047 8.198 538 2HH2 ARG 70 2HH2 ARG 70 7.527 -1.787 9.389 539 H LEU 71 H LEU 71 -0.702 -2.585 3.870 540 HA LEU 71 HA LEU 71 -0.985 -0.533 1.861 541 1HB LEU 71 2HB LEU 71 -2.880 -2.696 2.824 542 2HB LEU 71 3HB LEU 71 -3.263 -1.589 1.511 543 HG LEU 71 HG LEU 71 -0.880 -3.490 1.497 544 1HD1 LEU 71 1HD1 LEU 71 -2.156 -4.760 -0.171 545 2HD1 LEU 71 2HD1 LEU 71 -3.530 -3.647 0.004 546 3HD1 LEU 71 3HD1 LEU 71 -3.029 -4.688 1.362 547 1HD2 LEU 71 1HD2 LEU 71 -0.917 -2.964 -0.982 548 2HD2 LEU 71 2HD2 LEU 71 -0.344 -1.677 0.060 549 3HD2 LEU 71 3HD2 LEU 71 -1.994 -1.603 -0.610 550 H ASN 72 H ASN 72 -2.806 -1.067 4.911 551 HA ASN 72 HA ASN 72 -4.450 1.242 4.721 552 1HB ASN 72 2HB ASN 72 -4.959 -0.604 6.211 553 2HB ASN 72 3HB ASN 72 -3.480 -0.339 7.131 554 1HD2 ASN 72 1HD2 ASN 72 -6.563 1.333 6.200 555 2HD2 ASN 72 2HD2 ASN 72 -6.598 2.264 7.692 556 H THR 73 H THR 73 -1.159 0.962 6.161 557 HA THR 73 HA THR 73 -0.965 3.495 7.352 558 HB THR 73 HB THR 73 1.284 2.128 5.818 559 HG1 THR 73 1HG THR 73 0.300 1.759 8.448 560 1HG2 THR 73 1HG2 THR 73 2.720 3.178 7.564 561 2HG2 THR 73 2HG2 THR 73 1.301 4.056 8.182 562 3HG2 THR 73 3HG2 THR 73 1.918 4.377 6.546 563 H LEU 74 H LEU 74 -0.113 2.698 3.960 564 HA LEU 74 HA LEU 74 0.311 5.501 3.247 565 1HB LEU 74 2HB LEU 74 0.089 2.941 1.631 566 2HB LEU 74 3HB LEU 74 0.410 4.514 0.906 567 HG LEU 74 HG LEU 74 2.198 3.104 2.942 568 1HD1 LEU 74 1HD1 LEU 74 3.793 3.330 0.817 569 2HD1 LEU 74 2HD1 LEU 74 2.251 3.327 -0.054 570 3HD1 LEU 74 3HD1 LEU 74 2.690 1.982 1.018 571 1HD2 LEU 74 1HD2 LEU 74 2.502 5.407 3.352 572 2HD2 LEU 74 2HD2 LEU 74 2.378 5.827 1.630 573 3HD2 LEU 74 3HD2 LEU 74 3.803 4.974 2.240 574 H ASN 75 H ASN 75 -2.491 3.380 3.150 575 HA ASN 75 HA ASN 75 -4.139 4.756 1.356 576 1HB ASN 75 2HB ASN 75 -4.526 2.562 2.667 577 2HB ASN 75 3HB ASN 75 -5.173 3.573 3.957 578 1HD2 ASN 75 1HD2 ASN 75 -6.019 1.755 1.326 579 2HD2 ASN 75 2HD2 ASN 75 -7.565 2.532 0.990 580 H LYS 76 H LYS 76 -3.565 5.523 4.775 581 HA LYS 76 HA LYS 76 -5.408 7.593 5.227 582 1HB LYS 76 2HB LYS 76 -3.736 6.501 6.872 583 2HB LYS 76 3HB LYS 76 -2.544 7.649 6.256 584 1HG LYS 76 2HG LYS 76 -4.453 9.439 6.821 585 2HG LYS 76 3HG LYS 76 -5.070 8.147 7.854 586 1HD LYS 76 2HD LYS 76 -2.881 8.091 9.053 587 2HD LYS 76 3HD LYS 76 -2.269 9.356 7.961 588 1HE LYS 76 2HE LYS 76 -4.224 10.809 8.706 589 2HE LYS 76 3HE LYS 76 -4.584 9.592 9.935 590 1HZ LYS 76 1HZ LYS 76 -2.348 9.980 10.854 591 2HZ LYS 76 2HZ LYS 76 -3.195 11.374 10.824 592 3HZ LYS 76 3HZ LYS 76 -2.035 11.109 9.712 593 H CYS 77 H CYS 77 -2.149 7.933 3.842 594 HA CYS 77 HA CYS 77 -2.465 10.790 3.264 595 1HB CYS 77 2HB CYS 77 -0.331 8.746 2.498 596 2HB CYS 77 3HB CYS 77 -0.233 10.485 2.169 597 HG CYS 77 HG CYS 77 -0.440 11.294 4.646 598 H ALA 78 H ALA 78 -2.625 7.776 1.330 599 HA ALA 78 HA ALA 78 -2.733 8.956 -1.240 600 1HB ALA 78 1HB ALA 78 -3.606 6.778 -1.957 601 2HB ALA 78 2HB ALA 78 -2.287 6.566 -0.792 602 3HB ALA 78 3HB ALA 78 -3.975 6.344 -0.278 603 H SER 79 H SER 79 -5.421 8.059 0.926 604 HA SER 79 HA SER 79 -7.667 8.449 0.891 605 1HB SER 79 2HB SER 79 -6.495 10.476 1.793 606 2HB SER 79 3HB SER 79 -6.749 11.268 0.233 607 HG SER 79 HG SER 79 -8.980 11.077 0.546 608 H MET 80 H MET 80 -7.299 7.215 -1.410 609 HA MET 80 HA MET 80 -8.941 8.651 -3.460 610 1HB MET 80 2HB MET 80 -6.541 8.731 -3.970 611 2HB MET 80 3HB MET 80 -6.459 6.968 -3.994 612 1HG MET 80 2HG MET 80 -7.556 6.822 -6.023 613 2HG MET 80 3HG MET 80 -8.526 8.268 -5.736 614 1HE MET 80 1HE MET 80 -8.310 8.709 -8.252 615 2HE MET 80 2HE MET 80 -6.801 9.110 -9.101 616 3HE MET 80 3HE MET 80 -7.115 7.435 -8.594 617 H LYS 81 H LYS 81 -10.224 7.128 -1.698 618 HA LYS 81 HA LYS 81 -10.714 4.403 -2.622 619 1HB LYS 81 2HB LYS 81 -11.077 5.521 -0.252 620 2HB LYS 81 3HB LYS 81 -12.662 5.949 -0.880 621 1HG LYS 81 2HG LYS 81 -11.540 3.112 -0.972 622 2HG LYS 81 3HG LYS 81 -12.317 3.733 0.465 623 1HD LYS 81 2HD LYS 81 -13.728 3.661 -2.230 624 2HD LYS 81 3HD LYS 81 -13.739 2.302 -1.124 625 1HE LYS 81 2HE LYS 81 -14.741 5.092 -0.401 626 2HE LYS 81 3HE LYS 81 -15.763 3.793 -1.021 627 1HZ LYS 81 1HZ LYS 81 -15.114 2.445 0.913 628 2HZ LYS 81 2HZ LYS 81 -15.851 3.821 1.378 629 3HZ LYS 81 3HZ LYS 81 -14.233 3.681 1.522 Start of MODEL 11 1 1H MET 1 1H MET 1 -27.469 9.633 13.998 2 2H MET 1 2H MET 1 -26.759 10.658 12.944 3 3H MET 1 3H MET 1 -26.535 10.863 14.552 4 HA MET 1 HA MET 1 -24.580 9.923 13.544 5 1HB MET 1 2HB MET 1 -24.169 8.139 15.093 6 2HB MET 1 3HB MET 1 -25.120 9.375 15.894 7 1HG MET 1 2HG MET 1 -26.101 7.422 16.645 8 2HG MET 1 3HG MET 1 -27.187 7.897 15.351 9 1HE MET 1 1HE MET 1 -28.354 5.764 14.535 10 2HE MET 1 2HE MET 1 -27.646 4.162 14.827 11 3HE MET 1 3HE MET 1 -27.871 5.292 16.181 12 H HIS 2 H HIS 2 -23.542 8.140 12.486 13 HA HIS 2 HA HIS 2 -25.338 6.391 10.826 14 1HB HIS 2 2HB HIS 2 -22.855 7.930 9.991 15 2HB HIS 2 3HB HIS 2 -23.559 6.626 9.043 16 HD1 HIS 2 1HD HIS 2 -24.179 10.297 9.855 17 HD2 HIS 2 2HD HIS 2 -25.963 7.023 7.880 18 HE1 HIS 2 1HE HIS 2 -26.072 11.258 8.443 19 H HIS 3 H HIS 3 -22.453 6.514 12.791 20 HA HIS 3 HA HIS 3 -22.024 3.582 12.339 21 1HB HIS 3 2HB HIS 3 -19.883 5.675 12.876 22 2HB HIS 3 3HB HIS 3 -19.638 3.937 12.707 23 HD1 HIS 3 1HD HIS 3 -19.167 6.883 10.701 24 HD2 HIS 3 2HD HIS 3 -20.813 3.045 10.095 25 HE1 HIS 3 1HE HIS 3 -19.109 6.470 8.189 26 H HIS 4 H HIS 4 -21.025 6.084 14.707 27 HA HIS 4 HA HIS 4 -20.719 6.034 16.934 28 1HB HIS 4 2HB HIS 4 -23.240 6.247 16.526 29 2HB HIS 4 3HB HIS 4 -23.375 4.591 17.099 30 HD1 HIS 4 1HD HIS 4 -22.856 4.258 19.776 31 HD2 HIS 4 2HD HIS 4 -22.720 8.191 18.274 32 HE1 HIS 4 1HE HIS 4 -22.913 5.801 21.814 33 H HIS 5 H HIS 5 -19.472 3.810 15.593 34 HA HIS 5 HA HIS 5 -19.729 1.393 17.146 35 1HB HIS 5 2HB HIS 5 -17.952 0.549 15.852 36 2HB HIS 5 3HB HIS 5 -18.900 1.548 14.765 37 HD1 HIS 5 1HD HIS 5 -17.634 3.952 13.996 38 HD2 HIS 5 2HD HIS 5 -15.423 1.140 16.238 39 HE1 HIS 5 1HE HIS 5 -15.206 4.650 13.814 40 H HIS 6 H HIS 6 -18.342 0.515 18.708 41 HA HIS 6 HA HIS 6 -16.050 2.019 19.726 42 1HB HIS 6 2HB HIS 6 -17.949 3.104 20.900 43 2HB HIS 6 3HB HIS 6 -18.448 1.541 21.541 44 HD1 HIS 6 1HD HIS 6 -15.073 3.547 21.556 45 HD2 HIS 6 2HD HIS 6 -17.624 1.219 23.984 46 HE1 HIS 6 1HE HIS 6 -13.968 3.434 23.845 47 H HIS 7 H HIS 7 -14.612 0.430 19.604 48 HA HIS 7 HA HIS 7 -14.907 -1.918 21.364 49 1HB HIS 7 2HB HIS 7 -15.667 -2.550 19.009 50 2HB HIS 7 3HB HIS 7 -14.017 -2.278 18.474 51 HD1 HIS 7 1HD HIS 7 -12.259 -3.889 20.522 52 HD2 HIS 7 2HD HIS 7 -16.122 -5.041 19.225 53 HE1 HIS 7 1HE HIS 7 -12.431 -6.372 20.920 54 H SER 8 H SER 8 -13.200 -1.670 22.694 55 HA SER 8 HA SER 8 -10.788 -0.225 22.049 56 1HB SER 8 2HB SER 8 -9.905 -1.088 24.149 57 2HB SER 8 3HB SER 8 -11.538 -0.449 24.355 58 HG SER 8 HG SER 8 -12.322 -2.467 24.646 59 H SER 9 H SER 9 -8.655 -0.981 21.712 60 HA SER 9 HA SER 9 -8.059 -3.788 21.212 61 1HB SER 9 2HB SER 9 -7.509 -3.578 18.856 62 2HB SER 9 3HB SER 9 -9.204 -3.162 19.104 63 HG SER 9 HG SER 9 -8.207 -1.650 17.739 64 H GLY 10 H GLY 10 -5.768 -3.961 20.235 65 1HA GLY 10 2HA GLY 10 -3.927 -1.866 21.343 66 2HA GLY 10 1HA GLY 10 -3.764 -3.568 21.769 67 H LEU 11 H LEU 11 -4.623 -2.610 18.494 68 HA LEU 11 HA LEU 11 -1.863 -3.191 17.511 69 1HB LEU 11 2HB LEU 11 -3.550 -5.178 17.569 70 2HB LEU 11 3HB LEU 11 -4.276 -4.426 16.159 71 HG LEU 11 HG LEU 11 -1.374 -5.350 16.457 72 1HD1 LEU 11 1HD1 LEU 11 -2.018 -7.155 14.915 73 2HD1 LEU 11 2HD1 LEU 11 -3.688 -6.542 14.876 74 3HD1 LEU 11 3HD1 LEU 11 -3.005 -7.196 16.382 75 1HD2 LEU 11 1HD2 LEU 11 -1.423 -3.560 14.793 76 2HD2 LEU 11 2HD2 LEU 11 -2.809 -4.322 13.977 77 3HD2 LEU 11 3HD2 LEU 11 -1.225 -5.122 13.984 78 H VAL 12 H VAL 12 -2.134 -0.775 17.609 79 HA VAL 12 HA VAL 12 -2.179 0.107 14.855 80 HB VAL 12 HB VAL 12 -4.465 0.445 15.117 81 1HG1 VAL 12 1HG1 VAL 12 -5.581 1.850 16.715 82 2HG1 VAL 12 2HG1 VAL 12 -4.736 0.550 17.560 83 3HG1 VAL 12 3HG1 VAL 12 -4.067 2.196 17.563 84 1HG2 VAL 12 1HG2 VAL 12 -3.195 3.185 15.344 85 2HG2 VAL 12 2HG2 VAL 12 -3.182 2.163 13.889 86 3HG2 VAL 12 3HG2 VAL 12 -4.716 2.748 14.551 87 HA PRO 13 HA PRO 13 1.032 2.365 17.259 88 1HB PRO 13 2HB PRO 13 3.060 2.125 15.445 89 2HB PRO 13 3HB PRO 13 2.653 0.845 16.627 90 1HG PRO 13 2HG PRO 13 1.818 1.031 13.719 91 2HG PRO 13 3HG PRO 13 2.490 -0.383 14.593 92 1HD PRO 13 2HD PRO 13 -0.189 -0.028 14.172 93 2HD PRO 13 3HD PRO 13 0.435 -0.820 15.650 94 H ARG 14 H ARG 14 1.984 4.422 16.724 95 HA ARG 14 HA ARG 14 1.172 5.851 14.275 96 1HB ARG 14 2HB ARG 14 -0.029 7.649 15.582 97 2HB ARG 14 3HB ARG 14 -0.853 6.124 15.412 98 1HG ARG 14 2HG ARG 14 -1.201 7.074 17.620 99 2HG ARG 14 3HG ARG 14 -0.430 5.501 17.703 100 1HD ARG 14 2HD ARG 14 0.503 7.008 19.361 101 2HD ARG 14 3HD ARG 14 1.736 6.544 18.193 102 HE ARG 14 HE ARG 14 0.311 9.092 17.669 103 1HH1 ARG 14 1HH1 ARG 14 3.185 7.707 19.092 104 2HH1 ARG 14 2HH1 ARG 14 4.015 9.238 19.147 105 1HH2 ARG 14 1HH2 ARG 14 1.423 11.008 17.723 106 2HH2 ARG 14 2HH2 ARG 14 3.034 11.054 18.374 107 H GLY 15 H GLY 15 1.756 8.221 14.434 108 1HA GLY 15 2HA GLY 15 3.167 9.967 15.292 109 2HA GLY 15 1HA GLY 15 4.251 8.768 15.992 110 H SER 16 H SER 16 5.329 7.326 14.360 111 HA SER 16 HA SER 16 6.898 8.940 12.537 112 1HB SER 16 2HB SER 16 6.963 5.964 13.187 113 2HB SER 16 3HB SER 16 8.165 6.810 12.203 114 HG SER 16 HG SER 16 7.547 7.345 14.936 115 H GLN 17 H GLN 17 4.349 8.987 11.519 116 HA GLN 17 HA GLN 17 3.516 7.053 9.696 117 1HB GLN 17 2HB GLN 17 2.037 8.763 8.801 118 2HB GLN 17 3HB GLN 17 2.129 8.834 10.557 119 1HG GLN 17 2HG GLN 17 3.846 10.750 10.252 120 2HG GLN 17 3HG GLN 17 3.373 10.758 8.554 121 1HE2 GLN 17 1HE2 GLN 17 2.427 11.654 11.832 122 2HE2 GLN 17 2HE2 GLN 17 0.929 12.442 11.346 123 H GLU 18 H GLU 18 5.857 9.632 9.007 124 HA GLU 18 HA GLU 18 5.994 9.138 6.135 125 1HB GLU 18 2HB GLU 18 7.880 10.510 8.090 126 2HB GLU 18 3HB GLU 18 8.165 10.442 6.355 127 1HG GLU 18 2HG GLU 18 5.709 11.707 7.651 128 2HG GLU 18 3HG GLU 18 7.150 12.581 7.159 129 H ILE 19 H ILE 19 7.813 7.888 8.926 130 HA ILE 19 HA ILE 19 9.748 6.414 7.292 131 HB ILE 19 HB ILE 19 9.171 6.177 10.277 132 1HG1 ILE 19 2HG1 ILE 19 11.488 7.380 10.375 133 2HG1 ILE 19 3HG1 ILE 19 11.152 7.908 8.731 134 1HG2 ILE 19 1HG2 ILE 19 10.304 4.181 9.382 135 2HG2 ILE 19 2HG2 ILE 19 11.511 5.206 8.574 136 3HG2 ILE 19 3HG2 ILE 19 11.429 5.125 10.346 137 1HD1 ILE 19 1HD1 ILE 19 9.384 8.493 11.158 138 2HD1 ILE 19 2HD1 ILE 19 10.637 9.576 10.532 139 3HD1 ILE 19 3HD1 ILE 19 9.228 9.219 9.541 140 H GLU 20 H GLU 20 6.757 5.660 9.076 141 HA GLU 20 HA GLU 20 6.557 2.871 8.528 142 1HB GLU 20 2HB GLU 20 4.526 5.096 8.869 143 2HB GLU 20 3HB GLU 20 4.013 3.474 8.424 144 1HG GLU 20 2HG GLU 20 5.700 4.018 10.891 145 2HG GLU 20 3HG GLU 20 3.935 4.027 10.892 146 H ALA 21 H ALA 21 5.728 5.652 6.393 147 HA ALA 21 HA ALA 21 4.682 4.025 4.313 148 1HB ALA 21 1HB ALA 21 4.912 6.025 2.900 149 2HB ALA 21 2HB ALA 21 4.259 6.453 4.492 150 3HB ALA 21 3HB ALA 21 5.964 6.784 4.107 151 H LYS 22 H LYS 22 8.001 5.141 4.890 152 HA LYS 22 HA LYS 22 9.260 4.005 2.560 153 1HB LYS 22 2HB LYS 22 10.302 5.638 4.227 154 2HB LYS 22 3HB LYS 22 10.467 4.291 5.342 155 1HG LYS 22 2HG LYS 22 11.706 3.157 3.218 156 2HG LYS 22 3HG LYS 22 11.895 4.841 2.744 157 1HD LYS 22 2HD LYS 22 13.873 4.210 3.922 158 2HD LYS 22 3HD LYS 22 12.969 5.257 5.033 159 1HE LYS 22 2HE LYS 22 12.086 3.266 6.213 160 2HE LYS 22 3HE LYS 22 12.836 2.200 5.024 161 1HZ LYS 22 1HZ LYS 22 14.144 2.317 7.019 162 2HZ LYS 22 2HZ LYS 22 14.318 3.942 6.915 163 3HZ LYS 22 3HZ LYS 22 15.011 2.966 5.798 164 H GLU 23 H GLU 23 8.897 2.672 5.847 165 HA GLU 23 HA GLU 23 9.961 0.073 5.300 166 1HB GLU 23 2HB GLU 23 7.991 1.033 7.410 167 2HB GLU 23 3HB GLU 23 8.646 -0.600 7.372 168 1HG GLU 23 2HG GLU 23 10.303 1.948 7.629 169 2HG GLU 23 3HG GLU 23 9.843 0.889 8.955 170 H ALA 24 H ALA 24 6.532 1.170 5.136 171 HA ALA 24 HA ALA 24 5.342 -1.299 4.481 172 1HB ALA 24 1HB ALA 24 3.568 0.171 3.442 173 2HB ALA 24 2HB ALA 24 4.049 0.693 5.069 174 3HB ALA 24 3HB ALA 24 4.651 1.554 3.641 175 H CYS 25 H CYS 25 6.540 1.188 2.208 176 HA CYS 25 HA CYS 25 6.043 -0.272 -0.195 177 1HB CYS 25 2HB CYS 25 6.402 2.201 0.063 178 2HB CYS 25 3HB CYS 25 8.123 1.895 0.352 179 HG CYS 25 HG CYS 25 8.516 0.595 -1.940 180 H ASP 26 H ASP 26 9.053 -0.005 1.765 181 HA ASP 26 HA ASP 26 10.623 -1.676 0.029 182 1HB ASP 26 2HB ASP 26 11.509 0.033 1.610 183 2HB ASP 26 3HB ASP 26 11.057 -1.011 2.962 184 H TRP 27 H TRP 27 8.747 -2.457 2.997 185 HA TRP 27 HA TRP 27 9.562 -5.179 3.238 186 1HB TRP 27 2HB TRP 27 8.384 -4.011 5.027 187 2HB TRP 27 3HB TRP 27 6.943 -3.842 4.018 188 HD1 TRP 27 HD1 TRP 27 8.920 -6.408 6.029 189 HE1 TRP 27 1HE TRP 27 7.567 -8.588 6.279 190 HE3 TRP 27 3HE TRP 27 4.917 -5.241 3.049 191 HZ2 TRP 27 2HZ TRP 27 5.208 -9.761 5.124 192 HZ3 TRP 27 3HZ TRP 27 3.147 -6.933 2.601 193 HH2 TRP 27 HH2 TRP 27 3.296 -9.197 3.606 194 H LEU 28 H LEU 28 6.856 -3.763 1.376 195 HA LEU 28 HA LEU 28 5.628 -6.130 0.487 196 1HB LEU 28 2HB LEU 28 5.849 -3.297 -0.468 197 2HB LEU 28 3HB LEU 28 5.307 -4.459 -1.667 198 HG LEU 28 HG LEU 28 3.958 -4.148 1.046 199 1HD1 LEU 28 1HD1 LEU 28 2.245 -2.883 -0.294 200 2HD1 LEU 28 2HD1 LEU 28 3.335 -2.938 -1.678 201 3HD1 LEU 28 3HD1 LEU 28 3.804 -2.061 -0.204 202 1HD2 LEU 28 1HD2 LEU 28 3.513 -6.325 0.013 203 2HD2 LEU 28 2HD2 LEU 28 3.219 -5.564 -1.557 204 3HD2 LEU 28 3HD2 LEU 28 2.091 -5.308 -0.214 205 H ARG 29 H ARG 29 8.395 -4.487 -0.949 206 HA ARG 29 HA ARG 29 8.794 -6.214 -3.238 207 1HB ARG 29 2HB ARG 29 10.720 -4.486 -1.624 208 2HB ARG 29 3HB ARG 29 11.161 -5.313 -3.118 209 1HG ARG 29 2HG ARG 29 9.709 -3.981 -4.442 210 2HG ARG 29 3HG ARG 29 8.796 -3.400 -3.049 211 1HD ARG 29 2HD ARG 29 10.272 -1.647 -3.947 212 2HD ARG 29 3HD ARG 29 10.636 -2.055 -2.277 213 HE ARG 29 HE ARG 29 12.732 -2.810 -2.879 214 1HH1 ARG 29 1HH1 ARG 29 10.965 -2.416 -5.875 215 2HH1 ARG 29 2HH1 ARG 29 12.395 -2.641 -6.847 216 1HH2 ARG 29 1HH2 ARG 29 14.499 -3.079 -4.157 217 2HH2 ARG 29 2HH2 ARG 29 14.346 -3.002 -5.888 218 H ALA 30 H ALA 30 10.346 -6.266 -0.019 219 HA ALA 30 HA ALA 30 11.790 -8.702 -0.386 220 1HB ALA 30 1HB ALA 30 10.793 -7.388 2.181 221 2HB ALA 30 2HB ALA 30 12.072 -8.614 2.058 222 3HB ALA 30 3HB ALA 30 12.312 -7.011 1.333 223 H ALA 31 H ALA 31 8.476 -8.170 0.787 224 HA ALA 31 HA ALA 31 7.896 -10.844 1.607 225 1HB ALA 31 1HB ALA 31 6.651 -8.794 2.268 226 2HB ALA 31 2HB ALA 31 6.024 -8.648 0.613 227 3HB ALA 31 3HB ALA 31 5.581 -10.046 1.611 228 H GLY 32 H GLY 32 8.384 -9.680 -1.571 229 1HA GLY 32 2HA GLY 32 8.418 -11.014 -3.504 230 2HA GLY 32 1HA GLY 32 7.309 -12.170 -2.767 231 H PHE 33 H PHE 33 6.299 -8.859 -2.490 232 HA PHE 33 HA PHE 33 4.502 -9.098 -4.869 233 1HB PHE 33 2HB PHE 33 3.653 -8.059 -2.156 234 2HB PHE 33 3HB PHE 33 2.659 -8.293 -3.592 235 HD1 PHE 33 1HD PHE 33 2.431 -10.742 -4.504 236 HD2 PHE 33 2HD PHE 33 3.768 -9.755 -0.520 237 HE1 PHE 33 1HE PHE 33 1.841 -13.031 -3.730 238 HE2 PHE 33 2HE PHE 33 3.181 -12.043 0.241 239 HZ PHE 33 HZ PHE 33 2.212 -13.682 -1.362 240 HA PRO 34 HA PRO 34 6.733 -4.940 -4.681 241 1HB PRO 34 2HB PRO 34 8.016 -4.998 -7.100 242 2HB PRO 34 3HB PRO 34 8.698 -5.733 -5.618 243 1HG PRO 34 2HG PRO 34 7.142 -7.124 -7.816 244 2HG PRO 34 3HG PRO 34 8.713 -7.604 -7.097 245 1HD PRO 34 2HD PRO 34 6.379 -8.700 -6.253 246 2HD PRO 34 3HD PRO 34 7.687 -8.309 -5.093 247 H GLN 35 H GLN 35 4.660 -6.586 -6.973 248 HA GLN 35 HA GLN 35 3.844 -4.482 -8.645 249 1HB GLN 35 2HB GLN 35 1.811 -5.736 -9.029 250 2HB GLN 35 3HB GLN 35 3.219 -6.791 -9.026 251 1HG GLN 35 2HG GLN 35 2.616 -7.501 -6.668 252 2HG GLN 35 3HG GLN 35 1.141 -6.535 -6.802 253 1HE2 GLN 35 1HE2 GLN 35 -0.586 -7.273 -8.227 254 2HE2 GLN 35 2HE2 GLN 35 -0.529 -8.914 -8.860 255 H TYR 36 H TYR 36 2.502 -5.293 -5.389 256 HA TYR 36 HA TYR 36 0.578 -3.157 -5.438 257 1HB TYR 36 2HB TYR 36 1.818 -4.515 -3.030 258 2HB TYR 36 3HB TYR 36 0.349 -3.549 -3.036 259 HD1 TYR 36 2HD TYR 36 -1.238 -4.503 -5.290 260 HD2 TYR 36 1HD TYR 36 1.242 -6.727 -2.542 261 HE1 TYR 36 2HE TYR 36 -2.558 -6.563 -5.752 262 HE2 TYR 36 1HE TYR 36 -0.076 -8.780 -3.014 263 HH TYR 36 HH TYR 36 -1.816 -9.696 -4.194 264 H ALA 37 H ALA 37 3.954 -3.286 -4.262 265 HA ALA 37 HA ALA 37 4.030 -0.678 -3.093 266 1HB ALA 37 1HB ALA 37 5.768 -2.345 -2.684 267 2HB ALA 37 2HB ALA 37 6.252 -2.317 -4.393 268 3HB ALA 37 3HB ALA 37 6.484 -0.885 -3.378 269 H GLN 38 H GLN 38 4.746 -1.718 -6.457 270 HA GLN 38 HA GLN 38 5.401 0.856 -7.495 271 1HB GLN 38 2HB GLN 38 4.246 -1.642 -8.787 272 2HB GLN 38 3HB GLN 38 4.635 -0.198 -9.717 273 1HG GLN 38 2HG GLN 38 6.652 -1.713 -7.996 274 2HG GLN 38 3HG GLN 38 6.441 -1.932 -9.731 275 1HE2 GLN 38 1HE2 GLN 38 6.789 0.090 -11.146 276 2HE2 GLN 38 2HE2 GLN 38 7.987 1.236 -10.555 277 H LEU 39 H LEU 39 2.187 -0.581 -6.976 278 HA LEU 39 HA LEU 39 0.707 1.415 -8.394 279 1HB LEU 39 2HB LEU 39 0.046 -0.731 -6.413 280 2HB LEU 39 3HB LEU 39 -1.078 0.609 -6.517 281 HG LEU 39 HG LEU 39 -1.270 0.261 -8.983 282 1HD1 LEU 39 1HD1 LEU 39 0.857 -1.013 -9.368 283 2HD1 LEU 39 2HD1 LEU 39 -0.580 -1.833 -9.992 284 3HD1 LEU 39 3HD1 LEU 39 0.149 -2.377 -8.472 285 1HD2 LEU 39 1HD2 LEU 39 -2.921 -0.663 -7.405 286 2HD2 LEU 39 2HD2 LEU 39 -1.949 -2.135 -7.218 287 3HD2 LEU 39 3HD2 LEU 39 -2.700 -1.746 -8.784 288 H TYR 40 H TYR 40 2.509 1.910 -5.514 289 HA TYR 40 HA TYR 40 0.914 3.998 -4.330 290 1HB TYR 40 2HB TYR 40 2.877 2.896 -3.210 291 2HB TYR 40 3HB TYR 40 3.939 3.669 -4.362 292 HD1 TYR 40 2HD TYR 40 0.986 5.066 -2.412 293 HD2 TYR 40 1HD TYR 40 5.259 5.104 -3.067 294 HE1 TYR 40 2HE TYR 40 1.221 6.948 -0.809 295 HE2 TYR 40 1HE TYR 40 5.484 6.969 -1.443 296 HH TYR 40 HH TYR 40 4.402 8.389 -0.016 297 H GLU 41 H GLU 41 3.524 4.079 -6.771 298 HA GLU 41 HA GLU 41 3.415 6.945 -7.200 299 1HB GLU 41 2HB GLU 41 4.500 4.742 -9.002 300 2HB GLU 41 3HB GLU 41 4.830 6.462 -9.163 301 1HG GLU 41 2HG GLU 41 5.687 4.644 -6.871 302 2HG GLU 41 3HG GLU 41 6.716 5.306 -8.132 303 H ASP 42 H ASP 42 1.596 4.270 -8.511 304 HA ASP 42 HA ASP 42 0.296 5.860 -10.637 305 1HB ASP 42 2HB ASP 42 -0.293 3.088 -9.531 306 2HB ASP 42 3HB ASP 42 -1.120 3.821 -10.899 307 H SER 43 H SER 43 -0.049 5.811 -7.308 308 HA SER 43 HA SER 43 -1.599 6.381 -5.782 309 1HB SER 43 2HB SER 43 -3.045 7.804 -8.042 310 2HB SER 43 3HB SER 43 -3.250 8.092 -6.310 311 HG SER 43 HG SER 43 -1.068 8.771 -6.210 312 H GLN 44 H GLN 44 -1.909 3.814 -6.784 313 HA GLN 44 HA GLN 44 -4.863 3.345 -6.570 314 1HB GLN 44 2HB GLN 44 -2.860 1.790 -8.238 315 2HB GLN 44 3HB GLN 44 -4.566 1.374 -8.010 316 1HG GLN 44 2HG GLN 44 -5.100 3.723 -8.928 317 2HG GLN 44 3HG GLN 44 -3.426 3.750 -9.485 318 1HE2 GLN 44 1HE2 GLN 44 -6.498 3.108 -10.577 319 2HE2 GLN 44 2HE2 GLN 44 -6.079 1.914 -11.799 320 H PHE 45 H PHE 45 -2.750 3.332 -4.376 321 HA PHE 45 HA PHE 45 -2.763 0.668 -3.267 322 1HB PHE 45 2HB PHE 45 -2.170 3.387 -2.283 323 2HB PHE 45 3HB PHE 45 -2.919 2.366 -1.075 324 HD1 PHE 45 1HD PHE 45 -0.275 2.069 -3.733 325 HD2 PHE 45 2HD PHE 45 -1.493 1.065 0.274 326 HE1 PHE 45 1HE PHE 45 1.905 0.945 -3.337 327 HE2 PHE 45 2HE PHE 45 0.716 -0.050 0.647 328 HZ PHE 45 HZ PHE 45 2.388 -0.127 -1.162 329 HA PRO 46 HA PRO 46 -6.926 1.510 -1.211 330 1HB PRO 46 2HB PRO 46 -8.502 3.664 -1.705 331 2HB PRO 46 3HB PRO 46 -7.071 3.760 -0.647 332 1HG PRO 46 2HG PRO 46 -7.233 4.526 -3.571 333 2HG PRO 46 3HG PRO 46 -6.568 5.480 -2.205 334 1HD PRO 46 2HD PRO 46 -5.011 3.968 -3.845 335 2HD PRO 46 3HD PRO 46 -4.625 4.169 -2.111 336 H ILE 47 H ILE 47 -6.930 -0.268 -2.778 337 HA ILE 47 HA ILE 47 -9.312 -0.132 -4.592 338 HB ILE 47 HB ILE 47 -8.194 -1.654 -6.167 339 1HG1 ILE 47 2HG1 ILE 47 -5.593 -1.020 -4.703 340 2HG1 ILE 47 3HG1 ILE 47 -6.433 -2.546 -4.559 341 1HG2 ILE 47 1HG2 ILE 47 -6.749 0.993 -5.797 342 2HG2 ILE 47 2HG2 ILE 47 -6.948 0.087 -7.309 343 3HG2 ILE 47 3HG2 ILE 47 -8.358 0.791 -6.513 344 1HD1 ILE 47 1HD1 ILE 47 -4.659 -2.789 -6.171 345 2HD1 ILE 47 2HD1 ILE 47 -6.221 -2.934 -7.002 346 3HD1 ILE 47 3HD1 ILE 47 -5.269 -1.437 -7.137 347 H ASN 48 H ASN 48 -9.853 -0.833 -2.184 348 HA ASN 48 HA ASN 48 -10.813 -2.387 -0.823 349 1HB ASN 48 2HB ASN 48 -12.184 -2.659 -2.868 350 2HB ASN 48 3HB ASN 48 -11.146 -3.986 -3.390 351 1HD2 ASN 48 1HD2 ASN 48 -13.582 -4.804 -3.344 352 2HD2 ASN 48 2HD2 ASN 48 -13.973 -5.654 -1.852 353 H ILE 49 H ILE 49 -8.807 -2.583 0.270 354 HA ILE 49 HA ILE 49 -6.701 -4.318 -0.224 355 HB ILE 49 HB ILE 49 -7.707 -3.662 2.561 356 1HG1 ILE 49 2HG1 ILE 49 -5.823 -2.026 0.794 357 2HG1 ILE 49 3HG1 ILE 49 -7.474 -1.576 1.229 358 1HG2 ILE 49 1HG2 ILE 49 -5.360 -3.969 3.228 359 2HG2 ILE 49 2HG2 ILE 49 -5.909 -5.421 2.422 360 3HG2 ILE 49 3HG2 ILE 49 -4.888 -4.273 1.542 361 1HD1 ILE 49 1HD1 ILE 49 -6.775 -1.623 3.672 362 2HD1 ILE 49 2HD1 ILE 49 -5.091 -1.744 3.101 363 3HD1 ILE 49 3HD1 ILE 49 -6.072 -0.340 2.683 364 H VAL 50 H VAL 50 -9.625 -5.102 1.678 365 HA VAL 50 HA VAL 50 -8.841 -7.743 2.392 366 HB VAL 50 HB VAL 50 -10.527 -6.556 3.617 367 1HG1 VAL 50 1HG1 VAL 50 -12.370 -6.914 1.225 368 2HG1 VAL 50 2HG1 VAL 50 -12.857 -6.362 2.839 369 3HG1 VAL 50 3HG1 VAL 50 -11.752 -5.379 1.882 370 1HG2 VAL 50 1HG2 VAL 50 -12.090 -8.336 4.040 371 2HG2 VAL 50 2HG2 VAL 50 -11.768 -9.078 2.463 372 3HG2 VAL 50 3HG2 VAL 50 -10.502 -9.044 3.709 373 H ALA 51 H ALA 51 -10.268 -6.627 -0.631 374 HA ALA 51 HA ALA 51 -10.787 -9.340 -1.611 375 1HB ALA 51 1HB ALA 51 -10.567 -6.695 -3.106 376 2HB ALA 51 2HB ALA 51 -11.109 -8.241 -3.781 377 3HB ALA 51 3HB ALA 51 -12.055 -7.464 -2.502 378 H VAL 52 H VAL 52 -8.252 -6.873 -2.401 379 HA VAL 52 HA VAL 52 -6.829 -8.663 -4.104 380 HB VAL 52 HB VAL 52 -5.012 -7.117 -4.191 381 1HG1 VAL 52 1HG1 VAL 52 -6.177 -5.146 -4.977 382 2HG1 VAL 52 2HG1 VAL 52 -7.122 -6.582 -5.402 383 3HG1 VAL 52 3HG1 VAL 52 -7.621 -5.558 -4.038 384 1HG2 VAL 52 1HG2 VAL 52 -4.956 -5.028 -2.871 385 2HG2 VAL 52 2HG2 VAL 52 -6.295 -5.632 -1.877 386 3HG2 VAL 52 3HG2 VAL 52 -4.713 -6.449 -1.855 387 H LYS 53 H LYS 53 -6.369 -8.105 -0.624 388 HA LYS 53 HA LYS 53 -3.962 -9.692 -0.428 389 1HB LYS 53 2HB LYS 53 -4.078 -9.343 1.857 390 2HB LYS 53 3HB LYS 53 -4.886 -7.923 1.210 391 1HG LYS 53 2HG LYS 53 -7.108 -9.152 1.606 392 2HG LYS 53 3HG LYS 53 -6.168 -10.401 2.433 393 1HD LYS 53 2HD LYS 53 -5.295 -8.600 3.988 394 2HD LYS 53 3HD LYS 53 -6.485 -7.500 3.261 395 1HE LYS 53 2HE LYS 53 -8.299 -9.133 3.848 396 2HE LYS 53 3HE LYS 53 -7.099 -10.179 4.601 397 1HZ LYS 53 1HZ LYS 53 -8.242 -8.753 6.235 398 2HZ LYS 53 2HZ LYS 53 -7.705 -7.403 5.503 399 3HZ LYS 53 3HZ LYS 53 -6.648 -8.429 6.224 400 H ASN 54 H ASN 54 -7.277 -10.613 -0.615 401 HA ASN 54 HA ASN 54 -6.757 -13.426 0.235 402 1HB ASN 54 2HB ASN 54 -9.314 -11.809 -0.129 403 2HB ASN 54 3HB ASN 54 -9.304 -13.534 0.182 404 1HD2 ASN 54 1HD2 ASN 54 -10.678 -11.925 1.875 405 2HD2 ASN 54 2HD2 ASN 54 -9.864 -11.975 3.432 406 H ASP 55 H ASP 55 -6.275 -11.931 -2.557 407 HA ASP 55 HA ASP 55 -7.922 -13.296 -4.456 408 1HB ASP 55 2HB ASP 55 -6.856 -11.116 -4.835 409 2HB ASP 55 3HB ASP 55 -5.261 -11.871 -4.801 410 H HIS 56 H HIS 56 -7.655 -15.403 -3.467 411 HA HIS 56 HA HIS 56 -6.890 -17.492 -3.156 412 1HB HIS 56 2HB HIS 56 -7.854 -17.363 -5.493 413 2HB HIS 56 3HB HIS 56 -6.201 -17.417 -6.101 414 HD1 HIS 56 1HD HIS 56 -4.885 -19.804 -5.621 415 HD2 HIS 56 2HD HIS 56 -8.948 -19.579 -4.525 416 HE1 HIS 56 1HE HIS 56 -5.654 -22.216 -5.227 417 H ASP 57 H ASP 57 -5.146 -16.198 -1.946 418 HA ASP 57 HA ASP 57 -2.383 -16.922 -2.796 419 1HB ASP 57 2HB ASP 57 -3.195 -14.525 -2.115 420 2HB ASP 57 3HB ASP 57 -3.079 -15.133 -0.465 421 H PHE 58 H PHE 58 -1.103 -17.047 -0.299 422 HA PHE 58 HA PHE 58 -1.534 -19.765 0.491 423 1HB PHE 58 2HB PHE 58 -0.091 -17.508 1.934 424 2HB PHE 58 3HB PHE 58 0.043 -19.214 2.325 425 HD1 PHE 58 1HD PHE 58 0.626 -20.744 0.084 426 HD2 PHE 58 2HD PHE 58 1.764 -16.639 0.788 427 HE1 PHE 58 1HE PHE 58 2.547 -21.008 -1.462 428 HE2 PHE 58 2HE PHE 58 3.693 -16.915 -0.746 429 HZ PHE 58 HZ PHE 58 4.088 -19.097 -1.877 430 H LEU 59 H LEU 59 -2.503 -20.687 2.235 431 HA LEU 59 HA LEU 59 -4.776 -19.462 3.470 432 1HB LEU 59 2HB LEU 59 -4.528 -21.870 2.976 433 2HB LEU 59 3HB LEU 59 -3.208 -21.988 4.140 434 HG LEU 59 HG LEU 59 -4.768 -21.519 5.998 435 1HD1 LEU 59 1HD1 LEU 59 -6.460 -20.125 4.866 436 2HD1 LEU 59 2HD1 LEU 59 -7.218 -21.544 5.594 437 3HD1 LEU 59 3HD1 LEU 59 -6.929 -21.501 3.840 438 1HD2 LEU 59 1HD2 LEU 59 -6.010 -23.624 5.894 439 2HD2 LEU 59 2HD2 LEU 59 -4.370 -23.837 5.257 440 3HD2 LEU 59 3HD2 LEU 59 -5.747 -23.720 4.138 441 H GLU 60 H GLU 60 -1.435 -19.531 4.413 442 HA GLU 60 HA GLU 60 -1.734 -19.010 7.237 443 1HB GLU 60 2HB GLU 60 0.585 -18.604 5.317 444 2HB GLU 60 3HB GLU 60 0.701 -18.335 7.057 445 1HG GLU 60 2HG GLU 60 -0.157 -21.017 5.892 446 2HG GLU 60 3HG GLU 60 1.524 -20.571 6.125 447 H LYS 61 H LYS 61 -3.212 -17.401 7.479 448 HA LYS 61 HA LYS 61 -3.176 -14.799 6.434 449 1HB LYS 61 2HB LYS 61 -4.881 -16.149 8.011 450 2HB LYS 61 3HB LYS 61 -4.050 -15.270 9.284 451 1HG LYS 61 2HG LYS 61 -5.935 -13.978 8.768 452 2HG LYS 61 3HG LYS 61 -4.621 -13.117 7.964 453 1HD LYS 61 2HD LYS 61 -5.256 -14.209 5.802 454 2HD LYS 61 3HD LYS 61 -6.556 -15.076 6.613 455 1HE LYS 61 2HE LYS 61 -6.327 -12.037 6.436 456 2HE LYS 61 3HE LYS 61 -7.270 -13.039 5.326 457 1HZ LYS 61 1HZ LYS 61 -7.767 -12.802 8.249 458 2HZ LYS 61 2HZ LYS 61 -8.598 -13.789 7.243 459 3HZ LYS 61 3HZ LYS 61 -8.699 -12.175 7.068 460 H ASP 62 H ASP 62 -0.957 -16.085 8.677 461 HA ASP 62 HA ASP 62 0.053 -13.802 10.020 462 1HB ASP 62 2HB ASP 62 0.652 -16.172 10.468 463 2HB ASP 62 3HB ASP 62 1.545 -16.230 8.947 464 H LEU 63 H LEU 63 0.620 -14.842 6.648 465 HA LEU 63 HA LEU 63 2.558 -12.677 6.132 466 1HB LEU 63 2HB LEU 63 2.041 -15.128 4.936 467 2HB LEU 63 3HB LEU 63 1.194 -14.050 3.856 468 HG LEU 63 HG LEU 63 3.377 -14.474 2.998 469 1HD1 LEU 63 1HD1 LEU 63 4.373 -12.297 2.737 470 2HD1 LEU 63 2HD1 LEU 63 3.561 -11.683 4.190 471 3HD1 LEU 63 3HD1 LEU 63 2.609 -12.113 2.750 472 1HD2 LEU 63 1HD2 LEU 63 4.575 -13.467 5.610 473 2HD2 LEU 63 2HD2 LEU 63 5.458 -14.015 4.172 474 3HD2 LEU 63 3HD2 LEU 63 4.476 -15.164 5.093 475 H VAL 64 H VAL 64 -0.875 -13.158 5.962 476 HA VAL 64 HA VAL 64 -1.476 -10.904 4.219 477 HB VAL 64 HB VAL 64 -3.331 -12.557 5.957 478 1HG1 VAL 64 1HG1 VAL 64 -5.079 -11.738 4.347 479 2HG1 VAL 64 2HG1 VAL 64 -4.431 -10.477 5.405 480 3HG1 VAL 64 3HG1 VAL 64 -3.878 -10.595 3.717 481 1HG2 VAL 64 1HG2 VAL 64 -2.209 -13.939 4.229 482 2HG2 VAL 64 2HG2 VAL 64 -3.898 -13.676 3.795 483 3HG2 VAL 64 3HG2 VAL 64 -2.627 -12.737 2.990 484 H GLU 65 H GLU 65 -1.245 -11.359 7.713 485 HA GLU 65 HA GLU 65 -2.403 -8.995 8.664 486 1HB GLU 65 2HB GLU 65 -0.535 -10.995 9.695 487 2HB GLU 65 3HB GLU 65 -0.087 -9.387 10.245 488 1HG GLU 65 2HG GLU 65 -1.520 -10.256 11.886 489 2HG GLU 65 3HG GLU 65 -2.417 -9.006 11.040 490 HA PRO 66 HA PRO 66 1.440 -6.268 7.984 491 1HB PRO 66 2HB PRO 66 3.502 -7.104 6.371 492 2HB PRO 66 3HB PRO 66 3.463 -7.303 8.146 493 1HG PRO 66 2HG PRO 66 2.717 -9.341 6.039 494 2HG PRO 66 3HG PRO 66 3.738 -9.575 7.488 495 1HD PRO 66 2HD PRO 66 1.121 -10.287 7.429 496 2HD PRO 66 3HD PRO 66 1.853 -9.597 8.904 497 H LEU 67 H LEU 67 0.564 -8.448 5.272 498 HA LEU 67 HA LEU 67 0.613 -6.457 3.228 499 1HB LEU 67 2HB LEU 67 0.653 -8.891 2.825 500 2HB LEU 67 3HB LEU 67 -1.000 -9.012 3.424 501 HG LEU 67 HG LEU 67 -1.844 -7.710 1.522 502 1HD1 LEU 67 1HD1 LEU 67 1.044 -7.724 0.528 503 2HD1 LEU 67 2HD1 LEU 67 0.113 -6.289 1.022 504 3HD1 LEU 67 3HD1 LEU 67 -0.382 -7.204 -0.401 505 1HD2 LEU 67 1HD2 LEU 67 -1.666 -10.161 1.358 506 2HD2 LEU 67 2HD2 LEU 67 -0.034 -10.001 0.675 507 3HD2 LEU 67 3HD2 LEU 67 -1.439 -9.377 -0.215 508 H CYS 68 H CYS 68 -1.888 -7.019 5.703 509 HA CYS 68 HA CYS 68 -3.566 -4.969 4.338 510 1HB CYS 68 2HB CYS 68 -5.259 -5.354 5.906 511 2HB CYS 68 3HB CYS 68 -4.670 -6.920 5.333 512 HG CYS 68 HG CYS 68 -5.394 -7.015 7.903 513 H ARG 69 H ARG 69 -1.717 -5.274 7.388 514 HA ARG 69 HA ARG 69 -2.278 -2.700 8.390 515 1HB ARG 69 2HB ARG 69 -1.275 -4.586 9.656 516 2HB ARG 69 3HB ARG 69 0.268 -4.320 8.831 517 1HG ARG 69 2HG ARG 69 0.456 -2.075 9.834 518 2HG ARG 69 3HG ARG 69 -1.184 -2.201 10.481 519 1HD ARG 69 2HD ARG 69 0.326 -2.576 12.279 520 2HD ARG 69 3HD ARG 69 -0.465 -4.115 11.902 521 HE ARG 69 HE ARG 69 1.974 -4.021 10.445 522 1HH1 ARG 69 1HH1 ARG 69 1.052 -4.177 13.809 523 2HH1 ARG 69 2HH1 ARG 69 2.523 -4.987 14.276 524 1HH2 ARG 69 1HH2 ARG 69 3.830 -5.061 11.094 525 2HH2 ARG 69 2HH2 ARG 69 4.047 -5.463 12.770 526 H ARG 70 H ARG 70 0.546 -3.599 6.392 527 HA ARG 70 HA ARG 70 1.695 -0.930 6.324 528 1HB ARG 70 2HB ARG 70 2.028 -3.297 4.412 529 2HB ARG 70 3HB ARG 70 2.994 -1.841 4.372 530 1HG ARG 70 2HG ARG 70 2.963 -3.933 6.579 531 2HG ARG 70 3HG ARG 70 4.274 -3.529 5.467 532 1HD ARG 70 2HD ARG 70 4.261 -1.187 6.528 533 2HD ARG 70 3HD ARG 70 3.174 -1.858 7.756 534 HE ARG 70 HE ARG 70 5.551 -3.480 7.504 535 1HH1 ARG 70 1HH1 ARG 70 4.459 -0.472 8.890 536 2HH1 ARG 70 2HH1 ARG 70 5.775 -0.309 9.978 537 1HH2 ARG 70 1HH2 ARG 70 7.228 -3.337 9.000 538 2HH2 ARG 70 2HH2 ARG 70 7.279 -1.976 10.084 539 H LEU 71 H LEU 71 -0.540 -2.556 4.120 540 HA LEU 71 HA LEU 71 -0.665 -0.371 2.225 541 1HB LEU 71 2HB LEU 71 -2.378 -2.825 2.721 542 2HB LEU 71 3HB LEU 71 -2.899 -1.569 1.606 543 HG LEU 71 HG LEU 71 -0.913 -1.827 0.235 544 1HD1 LEU 71 1HD1 LEU 71 0.850 -2.511 1.651 545 2HD1 LEU 71 2HD1 LEU 71 0.523 -3.910 0.617 546 3HD1 LEU 71 3HD1 LEU 71 -0.059 -3.892 2.280 547 1HD2 LEU 71 1HD2 LEU 71 -2.289 -4.476 0.744 548 2HD2 LEU 71 2HD2 LEU 71 -1.398 -4.012 -0.719 549 3HD2 LEU 71 3HD2 LEU 71 -2.885 -3.157 -0.284 550 H ASN 72 H ASN 72 -2.647 -1.150 5.086 551 HA ASN 72 HA ASN 72 -4.581 0.885 4.766 552 1HB ASN 72 2HB ASN 72 -4.726 -1.006 6.358 553 2HB ASN 72 3HB ASN 72 -3.445 -0.285 7.339 554 1HD2 ASN 72 1HD2 ASN 72 -6.780 0.280 6.095 555 2HD2 ASN 72 2HD2 ASN 72 -7.203 1.356 7.421 556 H THR 73 H THR 73 -1.289 1.155 6.169 557 HA THR 73 HA THR 73 -1.539 3.885 7.015 558 HB THR 73 HB THR 73 0.985 2.446 6.109 559 HG1 THR 73 1HG THR 73 1.194 2.051 8.322 560 1HG2 THR 73 1HG2 THR 73 0.467 5.004 7.689 561 2HG2 THR 73 2HG2 THR 73 1.481 4.793 6.244 562 3HG2 THR 73 3HG2 THR 73 1.994 4.115 7.792 563 H LEU 74 H LEU 74 -0.179 2.581 3.923 564 HA LEU 74 HA LEU 74 0.104 5.194 2.733 565 1HB LEU 74 2HB LEU 74 0.323 2.365 1.798 566 2HB LEU 74 3HB LEU 74 -0.099 3.554 0.567 567 HG LEU 74 HG LEU 74 1.864 4.925 1.147 568 1HD1 LEU 74 1HD1 LEU 74 3.679 3.818 2.467 569 2HD1 LEU 74 2HD1 LEU 74 2.494 2.618 3.028 570 3HD1 LEU 74 3HD1 LEU 74 2.298 4.335 3.454 571 1HD2 LEU 74 1HD2 LEU 74 1.960 3.146 -0.625 572 2HD2 LEU 74 2HD2 LEU 74 2.657 2.044 0.583 573 3HD2 LEU 74 3HD2 LEU 74 3.524 3.521 0.108 574 H ASN 75 H ASN 75 -2.695 3.078 2.919 575 HA ASN 75 HA ASN 75 -4.339 4.284 0.928 576 1HB ASN 75 2HB ASN 75 -4.822 2.723 3.446 577 2HB ASN 75 3HB ASN 75 -6.162 3.690 2.861 578 1HD2 ASN 75 1HD2 ASN 75 -3.711 1.449 1.441 579 2HD2 ASN 75 2HD2 ASN 75 -4.897 0.681 0.374 580 H LYS 76 H LYS 76 -3.810 5.366 4.307 581 HA LYS 76 HA LYS 76 -5.556 7.657 4.183 582 1HB LYS 76 2HB LYS 76 -4.623 6.665 6.298 583 2HB LYS 76 3HB LYS 76 -3.028 7.227 5.842 584 1HG LYS 76 2HG LYS 76 -3.972 8.719 7.488 585 2HG LYS 76 3HG LYS 76 -3.735 9.559 5.972 586 1HD LYS 76 2HD LYS 76 -5.755 10.329 6.891 587 2HD LYS 76 3HD LYS 76 -6.222 9.359 5.513 588 1HE LYS 76 2HE LYS 76 -6.167 8.271 8.372 589 2HE LYS 76 3HE LYS 76 -7.541 9.178 7.750 590 1HZ LYS 76 1HZ LYS 76 -7.911 6.822 7.492 591 2HZ LYS 76 2HZ LYS 76 -6.567 6.623 6.598 592 3HZ LYS 76 3HZ LYS 76 -7.825 7.504 6.018 593 H CYS 77 H CYS 77 -2.054 7.408 3.616 594 HA CYS 77 HA CYS 77 -1.590 10.099 2.824 595 1HB CYS 77 2HB CYS 77 -0.107 7.551 2.028 596 2HB CYS 77 3HB CYS 77 0.519 9.200 1.884 597 HG CYS 77 HG CYS 77 0.363 9.810 4.434 598 H ALA 78 H ALA 78 -2.671 7.337 0.862 599 HA ALA 78 HA ALA 78 -2.569 8.748 -1.679 600 1HB ALA 78 1HB ALA 78 -3.732 6.733 -2.499 601 2HB ALA 78 2HB ALA 78 -2.350 6.293 -1.477 602 3HB ALA 78 3HB ALA 78 -4.002 6.190 -0.828 603 H SER 79 H SER 79 -5.115 8.139 0.736 604 HA SER 79 HA SER 79 -7.372 9.000 -0.750 605 1HB SER 79 2HB SER 79 -7.434 7.707 1.363 606 2HB SER 79 3HB SER 79 -6.941 9.148 2.264 607 HG SER 79 HG SER 79 -8.887 10.122 1.733 608 H MET 80 H MET 80 -5.397 10.883 1.593 609 HA MET 80 HA MET 80 -6.727 13.411 0.830 610 1HB MET 80 2HB MET 80 -4.320 13.007 2.649 611 2HB MET 80 3HB MET 80 -5.328 14.454 2.486 612 1HG MET 80 2HG MET 80 -7.308 12.889 3.166 613 2HG MET 80 3HG MET 80 -6.050 11.772 3.692 614 1HE MET 80 1HE MET 80 -8.427 14.470 4.689 615 2HE MET 80 2HE MET 80 -7.541 15.572 5.760 616 3HE MET 80 3HE MET 80 -7.199 15.564 4.015 617 H LYS 81 H LYS 81 -5.584 15.240 -0.047 618 HA LYS 81 HA LYS 81 -3.112 14.753 -1.594 619 1HB LYS 81 2HB LYS 81 -4.067 15.523 -3.678 620 2HB LYS 81 3HB LYS 81 -4.827 14.036 -3.159 621 1HG LYS 81 2HG LYS 81 -6.168 16.662 -2.470 622 2HG LYS 81 3HG LYS 81 -6.202 16.128 -4.135 623 1HD LYS 81 2HD LYS 81 -7.108 14.281 -1.896 624 2HD LYS 81 3HD LYS 81 -8.188 15.494 -2.565 625 1HE LYS 81 2HE LYS 81 -6.767 13.421 -4.290 626 2HE LYS 81 3HE LYS 81 -8.332 13.129 -3.531 627 1HZ LYS 81 1HZ LYS 81 -9.225 15.042 -4.736 628 2HZ LYS 81 2HZ LYS 81 -8.625 13.947 -5.782 629 3HZ LYS 81 3HZ LYS 81 -7.791 15.312 -5.470 Start of MODEL 12 1 1H MET 1 1H MET 1 -21.180 7.269 -10.557 2 2H MET 1 2H MET 1 -21.787 8.749 -10.238 3 3H MET 1 3H MET 1 -21.731 7.623 -9.053 4 HA MET 1 HA MET 1 -19.983 9.275 -8.758 5 1HB MET 1 2HB MET 1 -18.914 6.521 -9.538 6 2HB MET 1 3HB MET 1 -18.031 7.751 -8.628 7 1HG MET 1 2HG MET 1 -19.777 7.672 -6.850 8 2HG MET 1 3HG MET 1 -20.573 6.356 -7.723 9 1HE MET 1 1HE MET 1 -20.595 4.789 -5.654 10 2HE MET 1 2HE MET 1 -19.180 4.492 -4.623 11 3HE MET 1 3HE MET 1 -19.889 6.119 -4.708 12 H HIS 2 H HIS 2 -17.898 10.122 -9.555 13 HA HIS 2 HA HIS 2 -17.684 10.148 -12.543 14 1HB HIS 2 2HB HIS 2 -18.608 12.251 -11.446 15 2HB HIS 2 3HB HIS 2 -17.033 12.463 -10.689 16 HD1 HIS 2 1HD HIS 2 -18.819 12.842 -14.022 17 HD2 HIS 2 2HD HIS 2 -14.925 13.037 -12.405 18 HE1 HIS 2 1HE HIS 2 -17.369 13.970 -15.786 19 H HIS 3 H HIS 3 -15.810 9.350 -13.275 20 HA HIS 3 HA HIS 3 -13.578 8.752 -11.468 21 1HB HIS 3 2HB HIS 3 -13.927 8.334 -14.462 22 2HB HIS 3 3HB HIS 3 -12.580 7.736 -13.494 23 HD1 HIS 3 1HD HIS 3 -15.497 6.300 -14.934 24 HD2 HIS 3 2HD HIS 3 -13.812 6.332 -11.066 25 HE1 HIS 3 1HE HIS 3 -16.462 4.280 -13.715 26 H HIS 4 H HIS 4 -11.961 10.059 -11.044 27 HA HIS 4 HA HIS 4 -11.091 12.135 -13.020 28 1HB HIS 4 2HB HIS 4 -10.712 13.722 -11.226 29 2HB HIS 4 3HB HIS 4 -12.402 13.270 -11.364 30 HD1 HIS 4 1HD HIS 4 -9.677 13.481 -8.804 31 HD2 HIS 4 2HD HIS 4 -13.385 11.573 -9.383 32 HE1 HIS 4 1HE HIS 4 -10.399 12.602 -6.518 33 H HIS 5 H HIS 5 -9.993 10.447 -10.063 34 HA HIS 5 HA HIS 5 -7.973 9.838 -9.295 35 1HB HIS 5 2HB HIS 5 -6.895 8.130 -10.604 36 2HB HIS 5 3HB HIS 5 -8.640 8.001 -10.700 37 HD1 HIS 5 1HD HIS 5 -5.708 9.253 -12.915 38 HD2 HIS 5 2HD HIS 5 -9.682 7.859 -13.097 39 HE1 HIS 5 1HE HIS 5 -6.244 8.934 -15.398 40 H HIS 6 H HIS 6 -7.858 12.549 -10.383 41 HA HIS 6 HA HIS 6 -5.050 12.839 -11.292 42 1HB HIS 6 2HB HIS 6 -6.955 13.717 -12.636 43 2HB HIS 6 3HB HIS 6 -7.354 14.821 -11.326 44 HD1 HIS 6 1HD HIS 6 -5.918 17.060 -11.248 45 HD2 HIS 6 2HD HIS 6 -4.572 14.121 -13.954 46 HE1 HIS 6 1HE HIS 6 -4.157 18.192 -12.714 47 H HIS 7 H HIS 7 -4.527 12.207 -8.983 48 HA HIS 7 HA HIS 7 -3.770 14.643 -7.518 49 1HB HIS 7 2HB HIS 7 -4.528 13.673 -5.333 50 2HB HIS 7 3HB HIS 7 -5.822 14.197 -6.395 51 HD1 HIS 7 1HD HIS 7 -7.645 12.417 -6.977 52 HD2 HIS 7 2HD HIS 7 -4.169 10.878 -5.162 53 HE1 HIS 7 1HE HIS 7 -8.130 9.957 -6.472 54 H SER 8 H SER 8 -1.945 14.428 -6.252 55 HA SER 8 HA SER 8 -0.238 12.037 -6.619 56 1HB SER 8 2HB SER 8 1.492 13.511 -5.567 57 2HB SER 8 3HB SER 8 0.799 14.152 -7.058 58 HG SER 8 HG SER 8 0.239 14.973 -4.385 59 H SER 9 H SER 9 0.998 11.271 -4.709 60 HA SER 9 HA SER 9 -0.717 10.707 -2.395 61 1HB SER 9 2HB SER 9 0.753 8.984 -3.315 62 2HB SER 9 3HB SER 9 2.179 9.981 -2.961 63 HG SER 9 HG SER 9 1.945 8.631 -1.258 64 H GLY 10 H GLY 10 2.599 12.139 -2.599 65 1HA GLY 10 2HA GLY 10 2.106 14.468 -1.064 66 2HA GLY 10 1HA GLY 10 2.636 13.199 0.043 67 H LEU 11 H LEU 11 4.153 15.388 -0.098 68 HA LEU 11 HA LEU 11 6.687 14.523 -1.338 69 1HB LEU 11 2HB LEU 11 5.113 16.033 -2.897 70 2HB LEU 11 3HB LEU 11 5.725 17.339 -1.917 71 HG LEU 11 HG LEU 11 7.001 17.240 -3.910 72 1HD1 LEU 11 1HD1 LEU 11 9.263 16.951 -3.195 73 2HD1 LEU 11 2HD1 LEU 11 8.782 15.827 -1.914 74 3HD1 LEU 11 3HD1 LEU 11 8.350 17.558 -1.801 75 1HD2 LEU 11 1HD2 LEU 11 7.535 14.286 -3.377 76 2HD2 LEU 11 2HD2 LEU 11 8.231 15.255 -4.690 77 3HD2 LEU 11 3HD2 LEU 11 6.485 14.961 -4.639 78 H VAL 12 H VAL 12 7.985 14.525 0.339 79 HA VAL 12 HA VAL 12 8.848 14.792 2.417 80 HB VAL 12 HB VAL 12 9.215 17.674 1.598 81 1HG1 VAL 12 1HG1 VAL 12 11.269 17.479 2.973 82 2HG1 VAL 12 2HG1 VAL 12 9.853 17.159 3.977 83 3HG1 VAL 12 3HG1 VAL 12 10.847 15.807 3.402 84 1HG2 VAL 12 1HG2 VAL 12 10.030 16.124 -0.178 85 2HG2 VAL 12 2HG2 VAL 12 11.350 16.938 0.644 86 3HG2 VAL 12 3HG2 VAL 12 10.977 15.242 1.030 87 HA PRO 13 HA PRO 13 5.097 16.356 4.617 88 1HB PRO 13 2HB PRO 13 4.622 14.169 6.177 89 2HB PRO 13 3HB PRO 13 4.143 14.249 4.454 90 1HG PRO 13 2HG PRO 13 6.642 12.989 5.630 91 2HG PRO 13 3HG PRO 13 5.488 12.267 4.460 92 1HD PRO 13 2HD PRO 13 7.804 13.442 3.671 93 2HD PRO 13 3HD PRO 13 6.314 13.576 2.690 94 H ARG 14 H ARG 14 4.740 16.818 6.884 95 HA ARG 14 HA ARG 14 7.160 17.594 8.325 96 1HB ARG 14 2HB ARG 14 5.048 18.977 8.180 97 2HB ARG 14 3HB ARG 14 4.236 17.779 9.181 98 1HG ARG 14 2HG ARG 14 4.842 19.539 10.651 99 2HG ARG 14 3HG ARG 14 5.964 18.237 10.997 100 1HD ARG 14 2HD ARG 14 7.265 20.208 10.978 101 2HD ARG 14 3HD ARG 14 7.636 19.413 9.442 102 HE ARG 14 HE ARG 14 5.439 21.283 9.158 103 1HH1 ARG 14 1HH1 ARG 14 8.925 21.305 9.404 104 2HH1 ARG 14 2HH1 ARG 14 9.061 22.875 8.659 105 1HH2 ARG 14 1HH2 ARG 14 5.663 23.274 8.237 106 2HH2 ARG 14 2HH2 ARG 14 7.246 23.957 8.020 107 H GLY 15 H GLY 15 4.536 15.317 9.020 108 1HA GLY 15 2HA GLY 15 5.689 14.445 11.583 109 2HA GLY 15 1HA GLY 15 4.156 13.960 10.877 110 H SER 16 H SER 16 4.848 11.870 11.728 111 HA SER 16 HA SER 16 7.036 10.348 10.827 112 1HB SER 16 2HB SER 16 4.313 9.339 11.731 113 2HB SER 16 3HB SER 16 5.832 8.426 11.731 114 HG SER 16 HG SER 16 5.371 9.296 13.797 115 H GLN 17 H GLN 17 4.521 11.297 8.788 116 HA GLN 17 HA GLN 17 3.693 9.001 7.440 117 1HB GLN 17 2HB GLN 17 4.098 11.800 6.348 118 2HB GLN 17 3HB GLN 17 3.323 10.491 5.470 119 1HG GLN 17 2HG GLN 17 1.541 11.717 6.342 120 2HG GLN 17 3HG GLN 17 1.647 10.292 7.363 121 1HE2 GLN 17 1HE2 GLN 17 0.300 11.709 8.877 122 2HE2 GLN 17 2HE2 GLN 17 1.194 12.849 9.879 123 H GLU 18 H GLU 18 6.731 10.819 6.796 124 HA GLU 18 HA GLU 18 7.428 9.148 4.516 125 1HB GLU 18 2HB GLU 18 9.630 10.119 4.622 126 2HB GLU 18 3HB GLU 18 8.379 11.350 4.692 127 1HG GLU 18 2HG GLU 18 8.754 11.654 7.105 128 2HG GLU 18 3HG GLU 18 9.918 10.327 7.114 129 H ILE 19 H ILE 19 8.082 8.856 7.973 130 HA ILE 19 HA ILE 19 10.077 6.761 7.806 131 HB ILE 19 HB ILE 19 8.242 7.579 10.102 132 1HG1 ILE 19 2HG1 ILE 19 11.167 8.296 9.604 133 2HG1 ILE 19 3HG1 ILE 19 9.813 9.372 9.271 134 1HG2 ILE 19 1HG2 ILE 19 9.795 6.366 11.575 135 2HG2 ILE 19 2HG2 ILE 19 9.102 5.265 10.407 136 3HG2 ILE 19 3HG2 ILE 19 10.760 5.858 10.172 137 1HD1 ILE 19 1HD1 ILE 19 10.763 10.024 11.359 138 2HD1 ILE 19 2HD1 ILE 19 9.167 9.317 11.676 139 3HD1 ILE 19 3HD1 ILE 19 10.649 8.388 12.016 140 H GLU 20 H GLU 20 6.585 6.726 8.593 141 HA GLU 20 HA GLU 20 6.392 3.850 8.652 142 1HB GLU 20 2HB GLU 20 4.028 4.155 8.851 143 2HB GLU 20 3HB GLU 20 4.875 5.347 9.837 144 1HG GLU 20 2HG GLU 20 4.517 7.014 7.957 145 2HG GLU 20 3HG GLU 20 3.516 5.826 7.150 146 H ALA 21 H ALA 21 5.904 6.188 5.968 147 HA ALA 21 HA ALA 21 4.963 4.209 4.140 148 1HB ALA 21 1HB ALA 21 4.570 6.602 3.772 149 2HB ALA 21 2HB ALA 21 6.321 6.884 3.598 150 3HB ALA 21 3HB ALA 21 5.446 5.911 2.398 151 H LYS 22 H LYS 22 8.259 5.381 4.821 152 HA LYS 22 HA LYS 22 9.697 3.960 2.823 153 1HB LYS 22 2HB LYS 22 10.620 5.705 4.353 154 2HB LYS 22 3HB LYS 22 10.543 4.557 5.695 155 1HG LYS 22 2HG LYS 22 12.132 3.061 4.421 156 2HG LYS 22 3HG LYS 22 12.221 4.314 3.165 157 1HD LYS 22 2HD LYS 22 13.020 5.938 4.953 158 2HD LYS 22 3HD LYS 22 12.993 4.602 6.108 159 1HE LYS 22 2HE LYS 22 15.250 4.839 5.424 160 2HE LYS 22 3HE LYS 22 14.645 3.366 4.661 161 1HZ LYS 22 1HZ LYS 22 15.918 4.773 3.114 162 2HZ LYS 22 2HZ LYS 22 14.879 6.014 3.314 163 3HZ LYS 22 3HZ LYS 22 14.380 4.634 2.592 164 H GLU 23 H GLU 23 8.967 2.911 6.152 165 HA GLU 23 HA GLU 23 9.864 0.203 5.833 166 1HB GLU 23 2HB GLU 23 7.986 1.573 7.774 167 2HB GLU 23 3HB GLU 23 8.169 -0.179 7.801 168 1HG GLU 23 2HG GLU 23 10.503 1.764 8.044 169 2HG GLU 23 3HG GLU 23 9.655 1.049 9.412 170 H ALA 24 H ALA 24 6.526 1.545 5.367 171 HA ALA 24 HA ALA 24 5.300 -0.926 4.754 172 1HB ALA 24 1HB ALA 24 4.678 1.860 3.701 173 2HB ALA 24 2HB ALA 24 3.586 0.464 3.622 174 3HB ALA 24 3HB ALA 24 4.048 1.138 5.197 175 H CYS 25 H CYS 25 6.677 1.397 2.377 176 HA CYS 25 HA CYS 25 6.200 -0.236 0.093 177 1HB CYS 25 2HB CYS 25 6.709 2.224 0.132 178 2HB CYS 25 3HB CYS 25 8.403 1.839 0.493 179 HG CYS 25 HG CYS 25 6.603 0.654 -2.045 180 H ASP 26 H ASP 26 9.188 0.050 2.086 181 HA ASP 26 HA ASP 26 10.713 -1.864 0.598 182 1HB ASP 26 2HB ASP 26 11.617 -0.110 2.124 183 2HB ASP 26 3HB ASP 26 11.001 -1.022 3.506 184 H TRP 27 H TRP 27 8.544 -2.295 3.432 185 HA TRP 27 HA TRP 27 9.212 -5.010 3.958 186 1HB TRP 27 2HB TRP 27 7.966 -3.631 5.539 187 2HB TRP 27 3HB TRP 27 6.590 -3.553 4.431 188 HD1 TRP 27 HD1 TRP 27 8.397 -5.872 6.851 189 HE1 TRP 27 1HE TRP 27 7.027 -8.024 7.225 190 HE3 TRP 27 3HE TRP 27 4.682 -5.086 3.425 191 HZ2 TRP 27 2HZ TRP 27 4.782 -9.319 6.024 192 HZ3 TRP 27 3HZ TRP 27 2.950 -6.827 3.015 193 HH2 TRP 27 HH2 TRP 27 2.989 -8.943 4.296 194 H LEU 28 H LEU 28 6.595 -3.713 1.822 195 HA LEU 28 HA LEU 28 5.686 -6.303 0.961 196 1HB LEU 28 2HB LEU 28 5.444 -3.503 -0.179 197 2HB LEU 28 3HB LEU 28 5.032 -4.889 -1.169 198 HG LEU 28 HG LEU 28 3.637 -5.552 1.098 199 1HD1 LEU 28 1HD1 LEU 28 4.096 -3.369 2.207 200 2HD1 LEU 28 2HD1 LEU 28 2.382 -3.572 1.828 201 3HD1 LEU 28 3HD1 LEU 28 3.401 -2.523 0.817 202 1HD2 LEU 28 1HD2 LEU 28 2.664 -3.799 -1.175 203 2HD2 LEU 28 2HD2 LEU 28 1.655 -4.813 -0.113 204 3HD2 LEU 28 3HD2 LEU 28 2.819 -5.576 -1.203 205 H ARG 29 H ARG 29 8.265 -4.263 -0.288 206 HA ARG 29 HA ARG 29 9.004 -5.826 -2.586 207 1HB ARG 29 2HB ARG 29 9.639 -3.465 -2.081 208 2HB ARG 29 3HB ARG 29 10.729 -4.036 -0.820 209 1HG ARG 29 2HG ARG 29 12.120 -5.186 -2.489 210 2HG ARG 29 3HG ARG 29 10.981 -4.714 -3.778 211 1HD ARG 29 2HD ARG 29 11.368 -2.324 -3.237 212 2HD ARG 29 3HD ARG 29 12.507 -2.790 -1.960 213 HE ARG 29 HE ARG 29 13.430 -3.967 -4.362 214 1HH1 ARG 29 1HH1 ARG 29 13.029 -0.724 -3.118 215 2HH1 ARG 29 2HH1 ARG 29 14.312 -0.078 -4.106 216 1HH2 ARG 29 1HH2 ARG 29 15.068 -3.091 -5.594 217 2HH2 ARG 29 2HH2 ARG 29 15.433 -1.396 -5.465 218 H ALA 30 H ALA 30 10.261 -5.941 0.772 219 HA ALA 30 HA ALA 30 11.963 -8.234 0.349 220 1HB ALA 30 1HB ALA 30 12.273 -6.604 2.178 221 2HB ALA 30 2HB ALA 30 10.740 -7.125 2.915 222 3HB ALA 30 3HB ALA 30 12.106 -8.255 2.803 223 H ALA 31 H ALA 31 8.572 -7.969 1.426 224 HA ALA 31 HA ALA 31 8.132 -10.660 2.197 225 1HB ALA 31 1HB ALA 31 6.677 -8.795 2.835 226 2HB ALA 31 2HB ALA 31 6.226 -8.529 1.135 227 3HB ALA 31 3HB ALA 31 5.732 -10.011 1.955 228 H GLY 32 H GLY 32 8.608 -9.491 -0.988 229 1HA GLY 32 2HA GLY 32 8.799 -10.833 -2.914 230 2HA GLY 32 1HA GLY 32 7.831 -12.101 -2.163 231 H PHE 33 H PHE 33 6.468 -8.909 -1.974 232 HA PHE 33 HA PHE 33 4.738 -9.385 -4.370 233 1HB PHE 33 2HB PHE 33 3.768 -8.314 -1.708 234 2HB PHE 33 3HB PHE 33 2.806 -8.637 -3.144 235 HD1 PHE 33 2HD PHE 33 2.999 -11.182 -4.060 236 HD2 PHE 33 1HD PHE 33 3.728 -9.920 0.004 237 HE1 PHE 33 2HE PHE 33 2.589 -13.497 -3.262 238 HE2 PHE 33 1HE PHE 33 3.309 -12.234 0.793 239 HZ PHE 33 HZ PHE 33 2.742 -14.026 -0.835 240 HA PRO 34 HA PRO 34 6.632 -5.085 -4.386 241 1HB PRO 34 2HB PRO 34 8.039 -5.178 -6.724 242 2HB PRO 34 3HB PRO 34 8.696 -5.788 -5.175 243 1HG PRO 34 2HG PRO 34 7.338 -7.387 -7.372 244 2HG PRO 34 3HG PRO 34 8.904 -7.727 -6.566 245 1HD PRO 34 2HD PRO 34 6.600 -8.930 -5.770 246 2HD PRO 34 3HD PRO 34 7.842 -8.421 -4.585 247 H GLN 35 H GLN 35 4.707 -7.017 -6.548 248 HA GLN 35 HA GLN 35 3.848 -5.163 -8.465 249 1HB GLN 35 2HB GLN 35 1.825 -6.496 -8.673 250 2HB GLN 35 3HB GLN 35 3.266 -7.498 -8.575 251 1HG GLN 35 2HG GLN 35 2.713 -7.973 -6.149 252 2HG GLN 35 3HG GLN 35 1.208 -7.072 -6.360 253 1HE2 GLN 35 1HE2 GLN 35 -0.547 -8.037 -7.540 254 2HE2 GLN 35 2HE2 GLN 35 -0.441 -9.720 -8.045 255 H TYR 36 H TYR 36 2.362 -5.656 -5.215 256 HA TYR 36 HA TYR 36 0.511 -3.470 -5.513 257 1HB TYR 36 2HB TYR 36 1.585 -4.806 -3.022 258 2HB TYR 36 3HB TYR 36 0.198 -3.724 -3.068 259 HD1 TYR 36 1HD TYR 36 -1.474 -4.582 -5.249 260 HD2 TYR 36 2HD TYR 36 0.901 -6.981 -2.552 261 HE1 TYR 36 1HE TYR 36 -2.981 -6.514 -5.640 262 HE2 TYR 36 2HE TYR 36 -0.628 -8.912 -2.940 263 HH TYR 36 HH TYR 36 -3.428 -8.706 -5.165 264 H ALA 37 H ALA 37 3.804 -3.650 -4.120 265 HA ALA 37 HA ALA 37 3.919 -0.999 -3.090 266 1HB ALA 37 1HB ALA 37 6.304 -1.306 -3.054 267 2HB ALA 37 2HB ALA 37 5.559 -2.862 -2.649 268 3HB ALA 37 3HB ALA 37 6.232 -2.590 -4.273 269 H GLN 38 H GLN 38 4.727 -2.198 -6.390 270 HA GLN 38 HA GLN 38 5.446 0.339 -7.511 271 1HB GLN 38 2HB GLN 38 4.423 -2.265 -8.695 272 2HB GLN 38 3HB GLN 38 4.758 -0.868 -9.709 273 1HG GLN 38 2HG GLN 38 6.820 -2.124 -7.846 274 2HG GLN 38 3HG GLN 38 6.644 -2.519 -9.555 275 1HE2 GLN 38 1HE2 GLN 38 6.899 -0.635 -11.159 276 2HE2 GLN 38 2HE2 GLN 38 8.018 0.636 -10.676 277 H LEU 39 H LEU 39 2.239 -1.098 -7.040 278 HA LEU 39 HA LEU 39 0.774 0.827 -8.605 279 1HB LEU 39 2HB LEU 39 0.115 -1.282 -6.585 280 2HB LEU 39 3HB LEU 39 -1.026 0.036 -6.714 281 HG LEU 39 HG LEU 39 -1.243 -0.380 -9.161 282 1HD1 LEU 39 1HD1 LEU 39 0.947 -1.538 -9.561 283 2HD1 LEU 39 2HD1 LEU 39 -0.459 -2.415 -10.178 284 3HD1 LEU 39 3HD1 LEU 39 0.307 -2.940 -8.672 285 1HD2 LEU 39 1HD2 LEU 39 -2.574 -2.445 -8.913 286 2HD2 LEU 39 2HD2 LEU 39 -2.813 -1.374 -7.524 287 3HD2 LEU 39 3HD2 LEU 39 -1.765 -2.795 -7.371 288 H TYR 40 H TYR 40 2.503 1.388 -5.692 289 HA TYR 40 HA TYR 40 0.951 3.533 -4.580 290 1HB TYR 40 2HB TYR 40 2.916 2.423 -3.475 291 2HB TYR 40 3HB TYR 40 3.970 3.157 -4.663 292 HD1 TYR 40 1HD TYR 40 1.105 4.616 -2.643 293 HD2 TYR 40 2HD TYR 40 5.349 4.602 -3.467 294 HE1 TYR 40 1HE TYR 40 1.424 6.452 -1.021 295 HE2 TYR 40 2HE TYR 40 5.661 6.454 -1.829 296 HH TYR 40 HH TYR 40 2.999 7.681 0.193 297 H GLU 41 H GLU 41 3.587 3.549 -6.999 298 HA GLU 41 HA GLU 41 3.566 6.397 -7.444 299 1HB GLU 41 2HB GLU 41 4.589 4.096 -9.154 300 2HB GLU 41 3HB GLU 41 4.934 5.787 -9.479 301 1HG GLU 41 2HG GLU 41 5.734 4.347 -6.906 302 2HG GLU 41 3HG GLU 41 6.754 4.483 -8.327 303 H ASP 42 H ASP 42 1.747 3.768 -8.905 304 HA ASP 42 HA ASP 42 0.550 5.464 -10.986 305 1HB ASP 42 2HB ASP 42 1.054 2.934 -11.119 306 2HB ASP 42 3HB ASP 42 -0.382 2.708 -10.123 307 H SER 43 H SER 43 0.067 5.352 -7.727 308 HA SER 43 HA SER 43 -1.518 5.791 -6.219 309 1HB SER 43 2HB SER 43 -1.463 7.922 -7.593 310 2HB SER 43 3HB SER 43 -3.001 7.400 -8.305 311 HG SER 43 HG SER 43 -3.400 8.674 -6.488 312 H GLN 44 H GLN 44 -1.811 3.378 -6.900 313 HA GLN 44 HA GLN 44 -4.742 2.790 -7.069 314 1HB GLN 44 2HB GLN 44 -2.385 1.299 -8.243 315 2HB GLN 44 3HB GLN 44 -4.021 0.643 -8.213 316 1HG GLN 44 2HG GLN 44 -3.223 3.184 -9.675 317 2HG GLN 44 3HG GLN 44 -3.311 1.580 -10.384 318 1HE2 GLN 44 1HE2 GLN 44 -4.781 3.011 -11.829 319 2HE2 GLN 44 2HE2 GLN 44 -6.490 2.954 -11.389 320 H PHE 45 H PHE 45 -2.692 3.038 -4.713 321 HA PHE 45 HA PHE 45 -2.761 0.498 -3.356 322 1HB PHE 45 2HB PHE 45 -2.049 3.266 -2.693 323 2HB PHE 45 3HB PHE 45 -2.893 2.486 -1.377 324 HD1 PHE 45 2HD PHE 45 -0.214 1.598 -3.879 325 HD2 PHE 45 1HD PHE 45 -1.555 1.379 0.210 326 HE1 PHE 45 2HE PHE 45 1.907 0.485 -3.226 327 HE2 PHE 45 1HE PHE 45 0.583 0.265 0.835 328 HZ PHE 45 HZ PHE 45 2.293 -0.208 -0.882 329 HA PRO 46 HA PRO 46 -6.935 1.586 -1.452 330 1HB PRO 46 2HB PRO 46 -8.440 3.745 -2.100 331 2HB PRO 46 3HB PRO 46 -7.018 3.866 -1.028 332 1HG PRO 46 2HG PRO 46 -7.134 4.467 -3.994 333 2HG PRO 46 3HG PRO 46 -6.442 5.471 -2.680 334 1HD PRO 46 2HD PRO 46 -4.942 3.799 -4.237 335 2HD PRO 46 3HD PRO 46 -4.535 4.126 -2.526 336 H ILE 47 H ILE 47 -7.030 -0.295 -2.817 337 HA ILE 47 HA ILE 47 -9.334 -0.224 -4.729 338 HB ILE 47 HB ILE 47 -8.231 -1.948 -6.105 339 1HG1 ILE 47 2HG1 ILE 47 -5.659 -1.274 -4.606 340 2HG1 ILE 47 3HG1 ILE 47 -6.585 -2.738 -4.334 341 1HG2 ILE 47 1HG2 ILE 47 -8.277 0.437 -6.719 342 2HG2 ILE 47 2HG2 ILE 47 -6.707 0.676 -5.935 343 3HG2 ILE 47 3HG2 ILE 47 -6.849 -0.381 -7.351 344 1HD1 ILE 47 1HD1 ILE 47 -6.292 -3.391 -6.715 345 2HD1 ILE 47 2HD1 ILE 47 -5.256 -1.964 -6.959 346 3HD1 ILE 47 3HD1 ILE 47 -4.760 -3.237 -5.833 347 H ASN 48 H ASN 48 -9.825 -0.677 -2.190 348 HA ASN 48 HA ASN 48 -10.855 -2.017 -0.675 349 1HB ASN 48 2HB ASN 48 -11.241 -4.067 -2.879 350 2HB ASN 48 3HB ASN 48 -12.166 -3.907 -1.400 351 1HD2 ASN 48 1HD2 ASN 48 -12.392 -3.405 -4.628 352 2HD2 ASN 48 2HD2 ASN 48 -13.527 -2.060 -4.604 353 H ILE 49 H ILE 49 -8.883 -2.203 0.530 354 HA ILE 49 HA ILE 49 -6.945 -4.245 0.267 355 HB ILE 49 HB ILE 49 -7.951 -2.962 2.830 356 1HG1 ILE 49 2HG1 ILE 49 -5.430 -2.331 1.228 357 2HG1 ILE 49 3HG1 ILE 49 -6.931 -1.436 1.019 358 1HG2 ILE 49 1HG2 ILE 49 -6.775 -5.054 3.377 359 2HG2 ILE 49 2HG2 ILE 49 -5.448 -4.634 2.274 360 3HG2 ILE 49 3HG2 ILE 49 -5.719 -3.719 3.768 361 1HD1 ILE 49 1HD1 ILE 49 -5.419 -0.245 2.525 362 2HD1 ILE 49 2HD1 ILE 49 -6.907 -0.714 3.363 363 3HD1 ILE 49 3HD1 ILE 49 -5.386 -1.596 3.645 364 H VAL 50 H VAL 50 -10.061 -4.358 1.947 365 HA VAL 50 HA VAL 50 -9.953 -6.939 3.072 366 HB VAL 50 HB VAL 50 -12.453 -5.600 2.011 367 1HG1 VAL 50 1HG1 VAL 50 -11.993 -7.638 4.243 368 2HG1 VAL 50 2HG1 VAL 50 -13.537 -6.830 3.897 369 3HG1 VAL 50 3HG1 VAL 50 -12.844 -7.934 2.711 370 1HG2 VAL 50 1HG2 VAL 50 -11.030 -5.292 4.698 371 2HG2 VAL 50 2HG2 VAL 50 -11.292 -4.013 3.489 372 3HG2 VAL 50 3HG2 VAL 50 -12.668 -4.702 4.342 373 H ALA 51 H ALA 51 -10.548 -6.068 -0.310 374 HA ALA 51 HA ALA 51 -11.498 -8.711 -1.091 375 1HB ALA 51 1HB ALA 51 -12.152 -6.644 -2.297 376 2HB ALA 51 2HB ALA 51 -10.463 -6.429 -2.821 377 3HB ALA 51 3HB ALA 51 -11.386 -7.844 -3.352 378 H VAL 52 H VAL 52 -8.316 -6.982 -1.447 379 HA VAL 52 HA VAL 52 -7.085 -9.255 -2.742 380 HB VAL 52 HB VAL 52 -4.908 -8.237 -2.316 381 1HG1 VAL 52 1HG1 VAL 52 -5.224 -6.312 -3.756 382 2HG1 VAL 52 2HG1 VAL 52 -6.294 -7.622 -4.281 383 3HG1 VAL 52 3HG1 VAL 52 -6.956 -6.246 -3.370 384 1HG2 VAL 52 1HG2 VAL 52 -5.354 -7.110 -0.125 385 2HG2 VAL 52 2HG2 VAL 52 -4.660 -6.035 -1.345 386 3HG2 VAL 52 3HG2 VAL 52 -6.391 -5.948 -0.986 387 H LYS 53 H LYS 53 -7.445 -8.507 0.681 388 HA LYS 53 HA LYS 53 -5.837 -10.848 1.477 389 1HB LYS 53 2HB LYS 53 -6.353 -10.282 3.743 390 2HB LYS 53 3HB LYS 53 -5.879 -8.831 2.862 391 1HG LYS 53 2HG LYS 53 -8.321 -8.294 2.648 392 2HG LYS 53 3HG LYS 53 -8.711 -9.659 3.677 393 1HD LYS 53 2HD LYS 53 -6.649 -7.778 4.786 394 2HD LYS 53 3HD LYS 53 -8.227 -7.067 4.526 395 1HE LYS 53 2HE LYS 53 -8.159 -7.829 6.776 396 2HE LYS 53 3HE LYS 53 -9.300 -8.837 5.884 397 1HZ LYS 53 1HZ LYS 53 -7.584 -10.568 5.775 398 2HZ LYS 53 2HZ LYS 53 -7.849 -10.151 7.326 399 3HZ LYS 53 3HZ LYS 53 -6.509 -9.614 6.570 400 H ASN 54 H ASN 54 -8.922 -10.706 0.201 401 HA ASN 54 HA ASN 54 -10.183 -12.757 1.829 402 1HB ASN 54 2HB ASN 54 -11.331 -10.963 0.398 403 2HB ASN 54 3HB ASN 54 -10.904 -11.934 -1.014 404 1HD2 ASN 54 1HD2 ASN 54 -12.606 -12.129 2.165 405 2HD2 ASN 54 2HD2 ASN 54 -13.796 -13.284 1.577 406 H ASP 55 H ASP 55 -7.740 -12.941 -0.545 407 HA ASP 55 HA ASP 55 -8.316 -15.533 -1.675 408 1HB ASP 55 2HB ASP 55 -7.014 -13.728 -2.778 409 2HB ASP 55 3HB ASP 55 -5.736 -13.919 -1.579 410 H HIS 56 H HIS 56 -8.756 -16.263 0.701 411 HA HIS 56 HA HIS 56 -6.528 -17.188 2.308 412 1HB HIS 56 2HB HIS 56 -8.279 -18.136 3.730 413 2HB HIS 56 3HB HIS 56 -8.601 -16.465 3.309 414 HD1 HIS 56 1HD HIS 56 -9.740 -19.938 1.973 415 HD2 HIS 56 2HD HIS 56 -11.065 -15.996 2.642 416 HE1 HIS 56 1HE HIS 56 -12.233 -19.904 1.364 417 H ASP 57 H ASP 57 -6.316 -18.157 -0.309 418 HA ASP 57 HA ASP 57 -6.969 -21.012 -0.498 419 1HB ASP 57 2HB ASP 57 -6.860 -19.143 -2.345 420 2HB ASP 57 3HB ASP 57 -5.131 -19.468 -2.343 421 H PHE 58 H PHE 58 -4.588 -21.971 -1.736 422 HA PHE 58 HA PHE 58 -2.979 -22.866 0.466 423 1HB PHE 58 2HB PHE 58 -2.904 -23.090 -2.548 424 2HB PHE 58 3HB PHE 58 -1.506 -23.581 -1.628 425 HD1 PHE 58 1HD PHE 58 -5.200 -24.239 -1.924 426 HD2 PHE 58 2HD PHE 58 -1.350 -25.687 -0.612 427 HE1 PHE 58 1HE PHE 58 -6.186 -26.473 -1.475 428 HE2 PHE 58 2HE PHE 58 -2.338 -27.920 -0.181 429 HZ PHE 58 HZ PHE 58 -4.758 -28.317 -0.608 430 H LEU 59 H LEU 59 -2.822 -19.864 -1.069 431 HA LEU 59 HA LEU 59 0.036 -19.362 -0.980 432 1HB LEU 59 2HB LEU 59 -2.468 -17.688 -1.287 433 2HB LEU 59 3HB LEU 59 -0.964 -16.883 -0.920 434 HG LEU 59 HG LEU 59 -1.474 -16.873 -3.309 435 1HD1 LEU 59 1HD1 LEU 59 0.723 -17.473 -4.134 436 2HD1 LEU 59 2HD1 LEU 59 1.039 -18.490 -2.718 437 3HD1 LEU 59 3HD1 LEU 59 0.871 -16.727 -2.535 438 1HD2 LEU 59 1HD2 LEU 59 -2.548 -19.104 -3.526 439 2HD2 LEU 59 2HD2 LEU 59 -0.953 -19.872 -3.322 440 3HD2 LEU 59 3HD2 LEU 59 -1.269 -18.827 -4.717 441 H GLU 60 H GLU 60 0.867 -17.503 0.387 442 HA GLU 60 HA GLU 60 0.978 -18.577 3.061 443 1HB GLU 60 2HB GLU 60 2.372 -16.189 1.793 444 2HB GLU 60 3HB GLU 60 2.729 -16.859 3.399 445 1HG GLU 60 2HG GLU 60 3.322 -19.029 2.392 446 2HG GLU 60 3HG GLU 60 2.939 -18.409 0.784 447 H LYS 61 H LYS 61 -1.282 -18.177 3.641 448 HA LYS 61 HA LYS 61 -2.504 -15.721 4.094 449 1HB LYS 61 2HB LYS 61 -3.401 -18.144 4.395 450 2HB LYS 61 3HB LYS 61 -2.824 -18.007 6.062 451 1HG LYS 61 2HG LYS 61 -4.234 -15.865 6.235 452 2HG LYS 61 3HG LYS 61 -4.879 -16.259 4.634 453 1HD LYS 61 2HD LYS 61 -5.697 -18.456 5.571 454 2HD LYS 61 3HD LYS 61 -5.108 -17.939 7.168 455 1HE LYS 61 2HE LYS 61 -6.564 -15.872 6.946 456 2HE LYS 61 3HE LYS 61 -7.234 -16.563 5.464 457 1HZ LYS 61 1HZ LYS 61 -8.647 -17.079 7.354 458 2HZ LYS 61 2HZ LYS 61 -7.420 -17.770 8.175 459 3HZ LYS 61 3HZ LYS 61 -7.995 -18.477 6.819 460 H ASP 62 H ASP 62 -0.115 -17.203 6.223 461 HA ASP 62 HA ASP 62 -0.303 -15.412 8.445 462 1HB ASP 62 2HB ASP 62 0.942 -17.556 8.420 463 2HB ASP 62 3HB ASP 62 2.127 -16.857 7.319 464 H LEU 63 H LEU 63 1.180 -14.960 5.285 465 HA LEU 63 HA LEU 63 2.639 -12.522 5.981 466 1HB LEU 63 2HB LEU 63 2.663 -14.488 3.882 467 2HB LEU 63 3HB LEU 63 2.208 -12.987 3.120 468 HG LEU 63 HG LEU 63 4.587 -13.378 2.969 469 1HD1 LEU 63 1HD1 LEU 63 3.855 -11.048 3.158 470 2HD1 LEU 63 2HD1 LEU 63 5.455 -11.283 3.898 471 3HD1 LEU 63 3HD1 LEU 63 4.018 -11.130 4.923 472 1HD2 LEU 63 1HD2 LEU 63 4.880 -14.760 5.003 473 2HD2 LEU 63 2HD2 LEU 63 4.712 -13.309 6.014 474 3HD2 LEU 63 3HD2 LEU 63 6.074 -13.457 4.888 475 H VAL 64 H VAL 64 -0.583 -13.287 5.012 476 HA VAL 64 HA VAL 64 -1.208 -10.759 3.717 477 HB VAL 64 HB VAL 64 -3.000 -12.997 4.718 478 1HG1 VAL 64 1HG1 VAL 64 -4.710 -12.048 3.231 479 2HG1 VAL 64 2HG1 VAL 64 -4.332 -10.979 4.580 480 3HG1 VAL 64 3HG1 VAL 64 -3.682 -10.617 2.960 481 1HG2 VAL 64 1HG2 VAL 64 -1.515 -13.693 2.877 482 2HG2 VAL 64 2HG2 VAL 64 -3.162 -13.509 2.271 483 3HG2 VAL 64 3HG2 VAL 64 -1.953 -12.248 1.947 484 H GLU 65 H GLU 65 -1.327 -11.858 7.049 485 HA GLU 65 HA GLU 65 -2.973 -9.801 8.165 486 1HB GLU 65 2HB GLU 65 -0.788 -11.546 9.322 487 2HB GLU 65 3HB GLU 65 -1.567 -10.272 10.273 488 1HG GLU 65 2HG GLU 65 -3.769 -11.290 9.892 489 2HG GLU 65 3HG GLU 65 -3.047 -12.522 8.850 490 HA PRO 66 HA PRO 66 0.756 -6.919 8.859 491 1HB PRO 66 2HB PRO 66 3.195 -7.404 7.678 492 2HB PRO 66 3HB PRO 66 2.733 -7.969 9.311 493 1HG PRO 66 2HG PRO 66 2.583 -9.517 6.709 494 2HG PRO 66 3HG PRO 66 3.291 -10.047 8.266 495 1HD PRO 66 2HD PRO 66 0.804 -10.765 7.519 496 2HD PRO 66 3HD PRO 66 1.146 -10.323 9.218 497 H LEU 67 H LEU 67 0.497 -8.459 5.652 498 HA LEU 67 HA LEU 67 0.932 -6.144 4.036 499 1HB LEU 67 2HB LEU 67 0.841 -8.324 3.095 500 2HB LEU 67 3HB LEU 67 -0.784 -8.618 3.670 501 HG LEU 67 HG LEU 67 -0.349 -6.332 1.743 502 1HD1 LEU 67 1HD1 LEU 67 -0.624 -7.888 -0.152 503 2HD1 LEU 67 2HD1 LEU 67 -0.541 -9.272 0.964 504 3HD1 LEU 67 3HD1 LEU 67 0.871 -8.216 0.735 505 1HD2 LEU 67 1HD2 LEU 67 -2.593 -7.125 0.920 506 2HD2 LEU 67 2HD2 LEU 67 -2.644 -6.668 2.620 507 3HD2 LEU 67 3HD2 LEU 67 -2.588 -8.383 2.167 508 H CYS 68 H CYS 68 -2.102 -7.287 5.592 509 HA CYS 68 HA CYS 68 -3.785 -5.192 4.735 510 1HB CYS 68 2HB CYS 68 -4.423 -7.315 5.948 511 2HB CYS 68 3HB CYS 68 -3.883 -6.558 7.456 512 HG CYS 68 HG CYS 68 -5.434 -4.382 7.169 513 H ARG 69 H ARG 69 -1.649 -5.240 7.596 514 HA ARG 69 HA ARG 69 -2.229 -2.600 8.592 515 1HB ARG 69 2HB ARG 69 0.337 -4.242 8.798 516 2HB ARG 69 3HB ARG 69 0.059 -2.714 9.621 517 1HG ARG 69 2HG ARG 69 -1.816 -3.674 10.884 518 2HG ARG 69 3HG ARG 69 -1.653 -5.203 10.007 519 1HD ARG 69 2HD ARG 69 -0.608 -5.411 12.188 520 2HD ARG 69 3HD ARG 69 0.614 -5.515 10.911 521 HE ARG 69 HE ARG 69 0.257 -2.819 12.031 522 1HH1 ARG 69 1HH1 ARG 69 2.006 -5.801 12.558 523 2HH1 ARG 69 2HH1 ARG 69 3.294 -5.001 13.417 524 1HH2 ARG 69 1HH2 ARG 69 1.930 -1.856 13.125 525 2HH2 ARG 69 2HH2 ARG 69 3.240 -2.828 13.724 526 H ARG 70 H ARG 70 0.496 -3.587 6.486 527 HA ARG 70 HA ARG 70 1.473 -0.865 6.169 528 1HB ARG 70 2HB ARG 70 2.035 -3.299 4.434 529 2HB ARG 70 3HB ARG 70 2.961 -1.807 4.447 530 1HG ARG 70 2HG ARG 70 2.777 -3.832 6.719 531 2HG ARG 70 3HG ARG 70 4.120 -3.570 5.629 532 1HD ARG 70 2HD ARG 70 4.730 -2.615 7.680 533 2HD ARG 70 3HD ARG 70 4.399 -1.258 6.597 534 HE ARG 70 HE ARG 70 2.009 -1.744 7.978 535 1HH1 ARG 70 1HH1 ARG 70 5.232 -0.865 8.986 536 2HH1 ARG 70 2HH1 ARG 70 4.658 0.114 10.306 537 1HH2 ARG 70 1HH2 ARG 70 1.331 -0.322 9.556 538 2HH2 ARG 70 2HH2 ARG 70 2.501 0.380 10.626 539 H LEU 71 H LEU 71 -0.760 -2.707 4.103 540 HA LEU 71 HA LEU 71 -0.879 -0.661 2.055 541 1HB LEU 71 2HB LEU 71 -2.936 -2.747 2.855 542 2HB LEU 71 3HB LEU 71 -3.061 -1.687 1.454 543 HG LEU 71 HG LEU 71 -0.961 -3.853 1.866 544 1HD1 LEU 71 1HD1 LEU 71 -2.072 -4.894 -0.053 545 2HD1 LEU 71 2HD1 LEU 71 -3.221 -3.543 -0.154 546 3HD1 LEU 71 3HD1 LEU 71 -3.235 -4.625 1.256 547 1HD2 LEU 71 1HD2 LEU 71 -0.305 -3.372 -0.490 548 2HD2 LEU 71 2HD2 LEU 71 0.143 -2.106 0.646 549 3HD2 LEU 71 3HD2 LEU 71 -1.269 -1.882 -0.422 550 H ASN 72 H ASN 72 -2.756 -1.083 5.060 551 HA ASN 72 HA ASN 72 -4.633 1.001 4.626 552 1HB ASN 72 2HB ASN 72 -4.748 -0.834 6.332 553 2HB ASN 72 3HB ASN 72 -3.521 0.004 7.280 554 1HD2 ASN 72 1HD2 ASN 72 -6.905 -0.201 6.551 555 2HD2 ASN 72 2HD2 ASN 72 -7.367 1.180 7.536 556 H THR 73 H THR 73 -1.363 1.149 6.056 557 HA THR 73 HA THR 73 -1.314 3.832 6.905 558 HB THR 73 HB THR 73 1.030 2.359 5.645 559 HG1 THR 73 1HG THR 73 -0.004 2.217 8.286 560 1HG2 THR 73 1HG2 THR 73 0.901 4.384 7.920 561 2HG2 THR 73 2HG2 THR 73 1.450 4.734 6.266 562 3HG2 THR 73 3HG2 THR 73 2.359 3.595 7.270 563 H LEU 74 H LEU 74 -0.166 2.616 3.711 564 HA LEU 74 HA LEU 74 0.203 5.283 2.619 565 1HB LEU 74 2HB LEU 74 0.443 2.468 1.679 566 2HB LEU 74 3HB LEU 74 0.068 3.653 0.427 567 HG LEU 74 HG LEU 74 2.034 4.968 0.968 568 1HD1 LEU 74 1HD1 LEU 74 2.365 4.619 3.329 569 2HD1 LEU 74 2HD1 LEU 74 3.772 3.979 2.458 570 3HD1 LEU 74 3HD1 LEU 74 2.544 2.862 3.097 571 1HD2 LEU 74 1HD2 LEU 74 2.799 2.028 0.722 572 2HD2 LEU 74 2HD2 LEU 74 3.722 3.436 0.149 573 3HD2 LEU 74 3HD2 LEU 74 2.186 3.014 -0.619 574 H ASN 75 H ASN 75 -2.568 3.105 2.652 575 HA ASN 75 HA ASN 75 -4.187 4.312 0.657 576 1HB ASN 75 2HB ASN 75 -4.670 2.689 3.118 577 2HB ASN 75 3HB ASN 75 -6.014 3.698 2.620 578 1HD2 ASN 75 1HD2 ASN 75 -3.639 1.473 1.085 579 2HD2 ASN 75 2HD2 ASN 75 -4.837 0.786 -0.025 580 H LYS 76 H LYS 76 -3.803 5.345 4.077 581 HA LYS 76 HA LYS 76 -5.575 7.580 3.959 582 1HB LYS 76 2HB LYS 76 -4.774 6.697 6.050 583 2HB LYS 76 3HB LYS 76 -3.104 7.125 5.680 584 1HG LYS 76 2HG LYS 76 -3.430 9.398 6.011 585 2HG LYS 76 3HG LYS 76 -5.160 9.342 5.663 586 1HD LYS 76 2HD LYS 76 -3.979 8.061 8.159 587 2HD LYS 76 3HD LYS 76 -4.485 9.760 8.092 588 1HE LYS 76 2HE LYS 76 -6.759 9.099 7.404 589 2HE LYS 76 3HE LYS 76 -6.300 7.394 7.431 590 1HZ LYS 76 1HZ LYS 76 -6.291 9.188 9.803 591 2HZ LYS 76 2HZ LYS 76 -5.903 7.599 9.821 592 3HZ LYS 76 3HZ LYS 76 -7.428 8.064 9.479 593 H CYS 77 H CYS 77 -2.058 7.565 3.329 594 HA CYS 77 HA CYS 77 -1.890 10.342 2.642 595 1HB CYS 77 2HB CYS 77 -0.017 8.655 3.229 596 2HB CYS 77 3HB CYS 77 -0.059 8.194 1.514 597 HG CYS 77 HG CYS 77 0.397 10.580 0.554 598 H ALA 78 H ALA 78 -2.424 7.471 0.550 599 HA ALA 78 HA ALA 78 -2.520 8.849 -1.941 600 1HB ALA 78 1HB ALA 78 -3.841 6.238 -1.081 601 2HB ALA 78 2HB ALA 78 -3.573 6.776 -2.754 602 3HB ALA 78 3HB ALA 78 -2.186 6.422 -1.706 603 H SER 79 H SER 79 -5.248 7.888 0.227 604 HA SER 79 HA SER 79 -7.314 9.028 -1.406 605 1HB SER 79 2HB SER 79 -7.237 8.279 1.539 606 2HB SER 79 3HB SER 79 -8.703 8.793 0.688 607 HG SER 79 HG SER 79 -8.552 7.018 -0.661 608 H MET 80 H MET 80 -5.348 10.469 1.193 609 HA MET 80 HA MET 80 -6.912 12.871 1.483 610 1HB MET 80 2HB MET 80 -5.321 12.082 3.159 611 2HB MET 80 3HB MET 80 -3.965 12.344 2.053 612 1HG MET 80 2HG MET 80 -4.303 14.718 2.068 613 2HG MET 80 3HG MET 80 -5.862 14.574 2.881 614 1HE MET 80 1HE MET 80 -6.261 14.477 5.355 615 2HE MET 80 2HE MET 80 -5.625 12.816 5.367 616 3HE MET 80 3HE MET 80 -5.058 13.994 6.569 617 H LYS 81 H LYS 81 -6.803 14.809 0.511 618 HA LYS 81 HA LYS 81 -6.037 15.004 -2.255 619 1HB LYS 81 2HB LYS 81 -6.891 17.181 -0.298 620 2HB LYS 81 3HB LYS 81 -6.850 17.343 -2.047 621 1HG LYS 81 2HG LYS 81 -8.637 15.410 -0.498 622 2HG LYS 81 3HG LYS 81 -9.141 16.967 -1.115 623 1HD LYS 81 2HD LYS 81 -8.120 14.710 -2.897 624 2HD LYS 81 3HD LYS 81 -9.809 14.928 -2.493 625 1HE LYS 81 2HE LYS 81 -8.139 17.091 -3.853 626 2HE LYS 81 3HE LYS 81 -9.044 15.858 -4.731 627 1HZ LYS 81 1HZ LYS 81 -10.210 17.920 -2.949 628 2HZ LYS 81 2HZ LYS 81 -11.070 16.665 -3.548 629 3HZ LYS 81 3HZ LYS 81 -10.427 17.770 -4.556 Start of MODEL 13 1 1H MET 1 1H MET 1 15.740 10.937 -20.404 2 2H MET 1 2H MET 1 16.241 10.872 -21.955 3 3H MET 1 3H MET 1 14.785 10.252 -21.543 4 HA MET 1 HA MET 1 15.564 13.096 -21.460 5 1HB MET 1 2HB MET 1 13.753 11.595 -23.376 6 2HB MET 1 3HB MET 1 13.619 13.340 -23.122 7 1HG MET 1 2HG MET 1 15.908 13.710 -23.780 8 2HG MET 1 3HG MET 1 16.214 11.983 -23.944 9 1HE MET 1 1HE MET 1 14.582 10.952 -27.240 10 2HE MET 1 2HE MET 1 15.821 10.595 -26.018 11 3HE MET 1 3HE MET 1 14.099 10.601 -25.567 12 H HIS 2 H HIS 2 12.392 11.298 -21.386 13 HA HIS 2 HA HIS 2 11.292 13.139 -19.434 14 1HB HIS 2 2HB HIS 2 10.441 10.423 -20.508 15 2HB HIS 2 3HB HIS 2 9.575 11.232 -19.212 16 HD1 HIS 2 1HD HIS 2 10.627 12.265 -22.857 17 HD2 HIS 2 2HD HIS 2 7.595 12.663 -19.947 18 HE1 HIS 2 1HE HIS 2 8.781 13.634 -23.933 19 H HIS 3 H HIS 3 11.074 12.938 -17.255 20 HA HIS 3 HA HIS 3 12.354 10.655 -15.806 21 1HB HIS 3 2HB HIS 3 12.664 13.627 -15.244 22 2HB HIS 3 3HB HIS 3 13.144 12.351 -14.127 23 HD1 HIS 3 1HD HIS 3 14.881 14.515 -16.310 24 HD2 HIS 3 2HD HIS 3 14.798 10.342 -15.690 25 HE1 HIS 3 1HE HIS 3 17.117 13.623 -17.147 26 H HIS 4 H HIS 4 9.806 10.387 -16.301 27 HA HIS 4 HA HIS 4 7.972 11.520 -14.402 28 1HB HIS 4 2HB HIS 4 6.442 9.805 -15.141 29 2HB HIS 4 3HB HIS 4 7.283 10.481 -16.526 30 HD1 HIS 4 1HD HIS 4 8.815 8.743 -17.950 31 HD2 HIS 4 2HD HIS 4 6.989 7.231 -14.456 32 HE1 HIS 4 1HE HIS 4 9.163 6.228 -17.994 33 H HIS 5 H HIS 5 10.103 8.727 -14.230 34 HA HIS 5 HA HIS 5 9.082 7.849 -11.599 35 1HB HIS 5 2HB HIS 5 9.556 6.229 -13.406 36 2HB HIS 5 3HB HIS 5 11.244 6.726 -13.422 37 HD1 HIS 5 1HD HIS 5 12.144 4.333 -12.709 38 HD2 HIS 5 2HD HIS 5 9.294 6.028 -10.101 39 HE1 HIS 5 1HE HIS 5 12.096 2.848 -10.640 40 H HIS 6 H HIS 6 9.648 9.838 -10.531 41 HA HIS 6 HA HIS 6 12.506 9.992 -9.672 42 1HB HIS 6 2HB HIS 6 11.940 11.743 -11.381 43 2HB HIS 6 3HB HIS 6 10.727 12.384 -10.273 44 HD1 HIS 6 1HD HIS 6 11.681 13.963 -8.317 45 HD2 HIS 6 2HD HIS 6 14.571 11.880 -10.582 46 HE1 HIS 6 1HE HIS 6 13.949 14.880 -7.601 47 H HIS 7 H HIS 7 12.861 10.364 -7.531 48 HA HIS 7 HA HIS 7 10.649 10.915 -5.663 49 1HB HIS 7 2HB HIS 7 10.952 8.854 -4.430 50 2HB HIS 7 3HB HIS 7 10.531 8.473 -6.090 51 HD1 HIS 7 1HD HIS 7 12.790 7.669 -7.668 52 HD2 HIS 7 2HD HIS 7 13.079 7.695 -3.459 53 HE1 HIS 7 1HE HIS 7 14.830 6.266 -7.087 54 H SER 8 H SER 8 11.354 11.207 -3.474 55 HA SER 8 HA SER 8 14.242 11.566 -2.901 56 1HB SER 8 2HB SER 8 12.161 13.763 -2.528 57 2HB SER 8 3HB SER 8 13.823 13.804 -1.916 58 HG SER 8 HG SER 8 13.598 14.931 -3.904 59 H SER 9 H SER 9 14.725 11.571 -0.678 60 HA SER 9 HA SER 9 12.697 11.390 1.430 61 1HB SER 9 2HB SER 9 14.444 9.011 0.661 62 2HB SER 9 3HB SER 9 13.743 9.206 2.273 63 HG SER 9 HG SER 9 12.086 9.354 -0.002 64 H GLY 10 H GLY 10 13.744 11.244 3.589 65 1HA GLY 10 2HA GLY 10 15.331 11.674 5.184 66 2HA GLY 10 1HA GLY 10 16.519 11.084 4.023 67 H LEU 11 H LEU 11 14.531 14.035 4.431 68 HA LEU 11 HA LEU 11 16.973 15.736 4.401 69 1HB LEU 11 2HB LEU 11 15.704 15.467 2.099 70 2HB LEU 11 3HB LEU 11 14.522 16.537 2.810 71 HG LEU 11 HG LEU 11 15.949 17.865 1.487 72 1HD1 LEU 11 1HD1 LEU 11 15.520 18.847 3.768 73 2HD1 LEU 11 2HD1 LEU 11 16.967 19.460 2.951 74 3HD1 LEU 11 3HD1 LEU 11 17.140 18.269 4.246 75 1HD2 LEU 11 1HD2 LEU 11 18.390 17.899 1.622 76 2HD2 LEU 11 2HD2 LEU 11 17.805 16.276 1.228 77 3HD2 LEU 11 3HD2 LEU 11 18.369 16.639 2.872 78 H VAL 12 H VAL 12 16.938 16.453 6.405 79 HA VAL 12 HA VAL 12 16.300 17.035 8.501 80 HB VAL 12 HB VAL 12 14.589 19.117 7.127 81 1HG1 VAL 12 1HG1 VAL 12 15.101 20.438 9.177 82 2HG1 VAL 12 2HG1 VAL 12 14.191 18.988 9.588 83 3HG1 VAL 12 3HG1 VAL 12 15.941 19.038 9.875 84 1HG2 VAL 12 1HG2 VAL 12 16.578 20.567 7.339 85 2HG2 VAL 12 2HG2 VAL 12 17.531 19.192 7.942 86 3HG2 VAL 12 3HG2 VAL 12 16.911 19.203 6.279 87 HA PRO 13 HA PRO 13 12.383 14.593 8.713 88 1HB PRO 13 2HB PRO 13 13.174 12.815 10.648 89 2HB PRO 13 3HB PRO 13 13.543 12.611 8.909 90 1HG PRO 13 2HG PRO 13 15.325 13.775 11.067 91 2HG PRO 13 3HG PRO 13 15.741 12.540 9.836 92 1HD PRO 13 2HD PRO 13 16.348 15.173 9.518 93 2HD PRO 13 3HD PRO 13 15.863 14.161 8.123 94 H ARG 14 H ARG 14 10.882 14.457 10.417 95 HA ARG 14 HA ARG 14 11.297 16.183 12.837 96 1HB ARG 14 2HB ARG 14 10.290 17.411 10.825 97 2HB ARG 14 3HB ARG 14 8.847 16.438 11.036 98 1HG ARG 14 2HG ARG 14 10.061 18.349 13.091 99 2HG ARG 14 3HG ARG 14 8.704 18.697 12.019 100 1HD ARG 14 2HD ARG 14 7.433 16.805 13.120 101 2HD ARG 14 3HD ARG 14 8.752 16.707 14.312 102 HE ARG 14 HE ARG 14 7.861 19.406 14.165 103 1HH1 ARG 14 1HH1 ARG 14 6.691 16.350 15.395 104 2HH1 ARG 14 2HH1 ARG 14 5.683 17.111 16.596 105 1HH2 ARG 14 1HH2 ARG 14 6.569 20.320 15.710 106 2HH2 ARG 14 2HH2 ARG 14 5.627 19.308 16.764 107 H GLY 15 H GLY 15 8.812 14.168 11.276 108 1HA GLY 15 2HA GLY 15 8.623 12.441 13.696 109 2HA GLY 15 1HA GLY 15 7.144 13.122 13.018 110 H SER 16 H SER 16 7.021 10.580 13.097 111 HA SER 16 HA SER 16 8.359 8.936 11.269 112 1HB SER 16 2HB SER 16 5.604 8.497 12.452 113 2HB SER 16 3HB SER 16 6.720 7.251 11.867 114 HG SER 16 HG SER 16 8.145 7.770 13.539 115 H GLN 17 H GLN 17 6.342 11.269 10.176 116 HA GLN 17 HA GLN 17 4.375 10.197 8.588 117 1HB GLN 17 2HB GLN 17 6.098 12.650 8.044 118 2HB GLN 17 3HB GLN 17 4.673 12.218 7.106 119 1HG GLN 17 2HG GLN 17 3.869 13.787 8.622 120 2HG GLN 17 3HG GLN 17 3.323 12.249 9.271 121 1HE2 GLN 17 1HE2 GLN 17 5.607 14.973 9.735 122 2HE2 GLN 17 2HE2 GLN 17 5.913 14.573 11.423 123 H GLU 18 H GLU 18 7.723 10.769 7.316 124 HA GLU 18 HA GLU 18 7.042 9.227 4.885 125 1HB GLU 18 2HB GLU 18 9.212 9.685 4.077 126 2HB GLU 18 3HB GLU 18 8.526 11.169 4.727 127 1HG GLU 18 2HG GLU 18 9.925 10.910 6.772 128 2HG GLU 18 3HG GLU 18 10.602 9.415 6.120 129 H ILE 19 H ILE 19 8.467 8.506 7.977 130 HA ILE 19 HA ILE 19 9.948 6.161 7.139 131 HB ILE 19 HB ILE 19 9.153 7.055 9.942 132 1HG1 ILE 19 2HG1 ILE 19 11.841 7.459 9.791 133 2HG1 ILE 19 3HG1 ILE 19 11.460 7.705 8.097 134 1HG2 ILE 19 1HG2 ILE 19 11.125 4.936 8.978 135 2HG2 ILE 19 2HG2 ILE 19 11.018 5.536 10.649 136 3HG2 ILE 19 3HG2 ILE 19 9.658 4.667 9.948 137 1HD1 ILE 19 1HD1 ILE 19 11.495 9.834 9.247 138 2HD1 ILE 19 2HD1 ILE 19 9.799 9.510 8.854 139 3HD1 ILE 19 3HD1 ILE 19 10.403 9.246 10.505 140 H GLU 20 H GLU 20 6.750 6.591 8.711 141 HA GLU 20 HA GLU 20 6.138 3.804 8.943 142 1HB GLU 20 2HB GLU 20 3.906 4.431 9.345 143 2HB GLU 20 3HB GLU 20 4.925 5.677 10.070 144 1HG GLU 20 2HG GLU 20 4.500 7.090 8.001 145 2HG GLU 20 3HG GLU 20 3.330 5.876 7.479 146 H ALA 21 H ALA 21 5.833 6.023 6.214 147 HA ALA 21 HA ALA 21 4.547 4.074 4.499 148 1HB ALA 21 1HB ALA 21 5.886 6.741 3.856 149 2HB ALA 21 2HB ALA 21 4.879 5.794 2.740 150 3HB ALA 21 3HB ALA 21 4.160 6.486 4.207 151 H LYS 22 H LYS 22 7.899 5.202 4.912 152 HA LYS 22 HA LYS 22 9.179 3.769 2.837 153 1HB LYS 22 2HB LYS 22 10.254 5.484 4.230 154 2HB LYS 22 3HB LYS 22 10.198 4.410 5.634 155 1HG LYS 22 2HG LYS 22 11.653 2.782 4.442 156 2HG LYS 22 3HG LYS 22 11.753 3.886 3.066 157 1HD LYS 22 2HD LYS 22 12.668 4.460 5.924 158 2HD LYS 22 3HD LYS 22 13.732 3.975 4.611 159 1HE LYS 22 2HE LYS 22 12.077 6.544 4.662 160 2HE LYS 22 3HE LYS 22 13.777 6.424 5.115 161 1HZ LYS 22 1HZ LYS 22 14.275 5.681 2.849 162 2HZ LYS 22 2HZ LYS 22 13.543 7.140 2.819 163 3HZ LYS 22 3HZ LYS 22 12.703 5.811 2.413 164 H GLU 23 H GLU 23 8.558 2.649 6.183 165 HA GLU 23 HA GLU 23 9.603 0.010 5.819 166 1HB GLU 23 2HB GLU 23 7.396 0.975 7.683 167 2HB GLU 23 3HB GLU 23 8.111 -0.643 7.709 168 1HG GLU 23 2HG GLU 23 10.385 0.460 8.009 169 2HG GLU 23 3HG GLU 23 9.531 1.974 8.307 170 H ALA 24 H ALA 24 6.328 1.246 5.099 171 HA ALA 24 HA ALA 24 5.203 -1.290 4.380 172 1HB ALA 24 1HB ALA 24 4.482 1.552 3.584 173 2HB ALA 24 2HB ALA 24 3.480 0.146 3.235 174 3HB ALA 24 3HB ALA 24 3.785 0.626 4.920 175 H CYS 25 H CYS 25 6.494 1.295 2.187 176 HA CYS 25 HA CYS 25 6.150 -0.379 -0.119 177 1HB CYS 25 2HB CYS 25 7.341 1.302 -1.362 178 2HB CYS 25 3HB CYS 25 6.196 2.065 -0.254 179 HG CYS 25 HG CYS 25 9.476 1.629 0.162 180 H ASP 26 H ASP 26 8.917 -0.090 2.093 181 HA ASP 26 HA ASP 26 10.698 -1.756 0.499 182 1HB ASP 26 2HB ASP 26 10.642 -1.016 3.449 183 2HB ASP 26 3HB ASP 26 11.851 -2.083 2.747 184 H TRP 27 H TRP 27 8.588 -2.528 3.346 185 HA TRP 27 HA TRP 27 9.293 -5.257 3.507 186 1HB TRP 27 2HB TRP 27 8.110 -4.061 5.280 187 2HB TRP 27 3HB TRP 27 6.675 -3.914 4.260 188 HD1 TRP 27 HD1 TRP 27 8.614 -6.375 6.403 189 HE1 TRP 27 1HE TRP 27 7.338 -8.601 6.628 190 HE3 TRP 27 3HE TRP 27 4.746 -5.451 3.157 191 HZ2 TRP 27 2HZ TRP 27 5.128 -9.902 5.355 192 HZ3 TRP 27 3HZ TRP 27 3.079 -7.231 2.663 193 HH2 TRP 27 HH2 TRP 27 3.278 -9.461 3.711 194 H LEU 28 H LEU 28 6.707 -3.760 1.557 195 HA LEU 28 HA LEU 28 5.489 -6.148 0.606 196 1HB LEU 28 2HB LEU 28 5.805 -3.360 -0.526 197 2HB LEU 28 3HB LEU 28 4.913 -4.592 -1.416 198 HG LEU 28 HG LEU 28 4.201 -3.808 1.443 199 1HD1 LEU 28 1HD1 LEU 28 3.054 -2.745 -1.170 200 2HD1 LEU 28 2HD1 LEU 28 4.004 -1.826 0.017 201 3HD1 LEU 28 3HD1 LEU 28 2.400 -2.437 0.453 202 1HD2 LEU 28 1HD2 LEU 28 2.008 -4.788 0.859 203 2HD2 LEU 28 2HD2 LEU 28 3.295 -5.987 0.690 204 3HD2 LEU 28 3HD2 LEU 28 2.618 -5.217 -0.753 205 H ARG 29 H ARG 29 8.508 -4.662 -0.471 206 HA ARG 29 HA ARG 29 8.787 -6.403 -2.829 207 1HB ARG 29 2HB ARG 29 11.165 -5.069 -1.524 208 2HB ARG 29 3HB ARG 29 10.868 -5.458 -3.216 209 1HG ARG 29 2HG ARG 29 8.911 -3.647 -2.963 210 2HG ARG 29 3HG ARG 29 9.854 -3.185 -1.539 211 1HD ARG 29 2HD ARG 29 10.615 -1.753 -3.192 212 2HD ARG 29 3HD ARG 29 11.880 -2.993 -3.102 213 HE ARG 29 HE ARG 29 10.096 -3.892 -5.062 214 1HH1 ARG 29 1HH1 ARG 29 12.095 -1.049 -4.758 215 2HH1 ARG 29 2HH1 ARG 29 12.130 -0.769 -6.478 216 1HH2 ARG 29 1HH2 ARG 29 10.180 -3.500 -7.251 217 2HH2 ARG 29 2HH2 ARG 29 11.062 -2.126 -7.838 218 H ALA 30 H ALA 30 10.177 -6.373 0.447 219 HA ALA 30 HA ALA 30 11.675 -8.791 0.267 220 1HB ALA 30 1HB ALA 30 11.946 -7.085 2.044 221 2HB ALA 30 2HB ALA 30 10.355 -7.527 2.710 222 3HB ALA 30 3HB ALA 30 11.682 -8.705 2.719 223 H ALA 31 H ALA 31 8.249 -8.291 1.090 224 HA ALA 31 HA ALA 31 7.574 -11.004 1.702 225 1HB ALA 31 1HB ALA 31 6.257 -8.987 2.301 226 2HB ALA 31 2HB ALA 31 5.853 -8.741 0.589 227 3HB ALA 31 3HB ALA 31 5.275 -10.187 1.441 228 H GLY 32 H GLY 32 8.479 -9.708 -1.334 229 1HA GLY 32 2HA GLY 32 8.682 -10.831 -3.352 230 2HA GLY 32 1HA GLY 32 7.615 -12.116 -2.784 231 H PHE 33 H PHE 33 6.371 -8.879 -2.401 232 HA PHE 33 HA PHE 33 4.712 -9.131 -4.878 233 1HB PHE 33 2HB PHE 33 3.690 -8.113 -2.223 234 2HB PHE 33 3HB PHE 33 2.777 -8.469 -3.690 235 HD1 PHE 33 1HD PHE 33 3.340 -11.124 -4.510 236 HD2 PHE 33 2HD PHE 33 3.183 -9.560 -0.489 237 HE1 PHE 33 1HE PHE 33 2.850 -13.396 -3.639 238 HE2 PHE 33 2HE PHE 33 2.667 -11.824 0.368 239 HZ PHE 33 HZ PHE 33 2.528 -13.750 -1.196 240 HA PRO 34 HA PRO 34 6.828 -4.929 -4.447 241 1HB PRO 34 2HB PRO 34 8.205 -4.847 -6.813 242 2HB PRO 34 3HB PRO 34 8.839 -5.642 -5.338 243 1HG PRO 34 2HG PRO 34 7.389 -6.941 -7.667 244 2HG PRO 34 3HG PRO 34 8.940 -7.439 -6.916 245 1HD PRO 34 2HD PRO 34 6.601 -8.609 -6.211 246 2HD PRO 34 3HD PRO 34 7.854 -8.247 -4.983 247 H GLN 35 H GLN 35 4.872 -6.466 -6.906 248 HA GLN 35 HA GLN 35 4.133 -4.288 -8.515 249 1HB GLN 35 2HB GLN 35 2.136 -5.517 -9.073 250 2HB GLN 35 3HB GLN 35 3.526 -6.597 -9.016 251 1HG GLN 35 2HG GLN 35 2.779 -7.440 -6.785 252 2HG GLN 35 3HG GLN 35 1.403 -6.333 -6.829 253 1HE2 GLN 35 1HE2 GLN 35 -0.518 -7.130 -7.702 254 2HE2 GLN 35 2HE2 GLN 35 -0.568 -8.572 -8.710 255 H TYR 36 H TYR 36 2.908 -5.097 -5.253 256 HA TYR 36 HA TYR 36 0.865 -3.051 -5.211 257 1HB TYR 36 2HB TYR 36 2.363 -4.490 -3.000 258 2HB TYR 36 3HB TYR 36 1.119 -3.288 -2.698 259 HD1 TYR 36 2HD TYR 36 -1.159 -3.694 -4.167 260 HD2 TYR 36 1HD TYR 36 1.628 -6.708 -2.856 261 HE1 TYR 36 2HE TYR 36 -2.936 -5.430 -4.373 262 HE2 TYR 36 1HE TYR 36 -0.144 -8.448 -3.079 263 HH TYR 36 HH TYR 36 -2.305 -8.888 -3.697 264 H ALA 37 H ALA 37 4.179 -3.055 -3.786 265 HA ALA 37 HA ALA 37 4.237 -0.395 -2.913 266 1HB ALA 37 1HB ALA 37 5.919 -2.069 -2.326 267 2HB ALA 37 2HB ALA 37 6.525 -2.097 -3.996 268 3HB ALA 37 3HB ALA 37 6.696 -0.633 -3.005 269 H GLN 38 H GLN 38 5.166 -1.595 -6.154 270 HA GLN 38 HA GLN 38 5.980 0.918 -7.253 271 1HB GLN 38 2HB GLN 38 4.973 -1.675 -8.481 272 2HB GLN 38 3HB GLN 38 5.501 -0.314 -9.470 273 1HG GLN 38 2HG GLN 38 7.272 -1.644 -7.365 274 2HG GLN 38 3HG GLN 38 7.262 -2.076 -9.070 275 1HE2 GLN 38 1HE2 GLN 38 8.668 0.095 -6.752 276 2HE2 GLN 38 2HE2 GLN 38 9.389 1.163 -7.952 277 H LEU 39 H LEU 39 2.735 -0.279 -6.714 278 HA LEU 39 HA LEU 39 1.483 1.640 -8.563 279 1HB LEU 39 2HB LEU 39 0.454 -0.475 -6.644 280 2HB LEU 39 3HB LEU 39 -0.632 0.624 -7.437 281 HG LEU 39 HG LEU 39 1.289 -1.196 -8.943 282 1HD1 LEU 39 1HD1 LEU 39 -0.375 -2.500 -7.656 283 2HD1 LEU 39 2HD1 LEU 39 -0.685 -2.600 -9.395 284 3HD1 LEU 39 3HD1 LEU 39 -1.689 -1.544 -8.374 285 1HD2 LEU 39 1HD2 LEU 39 -1.160 0.273 -9.979 286 2HD2 LEU 39 2HD2 LEU 39 -0.063 -0.769 -10.896 287 3HD2 LEU 39 3HD2 LEU 39 0.519 0.774 -10.271 288 H TYR 40 H TYR 40 2.848 2.092 -5.537 289 HA TYR 40 HA TYR 40 0.962 3.801 -4.247 290 1HB TYR 40 2HB TYR 40 2.998 2.976 -3.127 291 2HB TYR 40 3HB TYR 40 4.000 3.865 -4.252 292 HD1 TYR 40 2HD TYR 40 0.899 5.056 -2.415 293 HD2 TYR 40 1HD TYR 40 5.192 5.324 -2.849 294 HE1 TYR 40 2HE TYR 40 0.949 6.950 -0.811 295 HE2 TYR 40 1HE TYR 40 5.229 7.213 -1.237 296 HH TYR 40 HH TYR 40 3.996 8.595 0.103 297 H GLU 41 H GLU 41 3.610 4.652 -6.489 298 HA GLU 41 HA GLU 41 3.125 7.469 -6.539 299 1HB GLU 41 2HB GLU 41 4.474 5.630 -8.558 300 2HB GLU 41 3HB GLU 41 4.529 7.398 -8.620 301 1HG GLU 41 2HG GLU 41 5.652 7.490 -6.440 302 2HG GLU 41 3HG GLU 41 5.547 5.737 -6.273 303 H ASP 42 H ASP 42 1.572 4.890 -8.301 304 HA ASP 42 HA ASP 42 0.182 6.722 -10.156 305 1HB ASP 42 2HB ASP 42 1.127 4.388 -10.740 306 2HB ASP 42 3HB ASP 42 -0.246 3.732 -9.852 307 H SER 43 H SER 43 -0.249 6.117 -6.992 308 HA SER 43 HA SER 43 -1.891 6.091 -5.462 309 1HB SER 43 2HB SER 43 -3.454 7.640 -7.552 310 2HB SER 43 3HB SER 43 -3.870 7.508 -5.838 311 HG SER 43 HG SER 43 -1.534 8.683 -6.966 312 H GLN 44 H GLN 44 -1.717 3.773 -7.071 313 HA GLN 44 HA GLN 44 -4.495 2.698 -7.239 314 1HB GLN 44 2HB GLN 44 -1.852 2.028 -8.527 315 2HB GLN 44 3HB GLN 44 -3.131 0.815 -8.486 316 1HG GLN 44 2HG GLN 44 -3.432 3.594 -9.679 317 2HG GLN 44 3HG GLN 44 -3.007 2.148 -10.587 318 1HE2 GLN 44 1HE2 GLN 44 -5.640 4.082 -9.830 319 2HE2 GLN 44 2HE2 GLN 44 -6.878 2.852 -10.077 320 H PHE 45 H PHE 45 -2.533 2.953 -4.758 321 HA PHE 45 HA PHE 45 -2.317 0.324 -3.638 322 1HB PHE 45 2HB PHE 45 -2.090 3.100 -2.677 323 2HB PHE 45 3HB PHE 45 -2.823 2.038 -1.492 324 HD1 PHE 45 1HD PHE 45 -0.008 1.634 -3.984 325 HD2 PHE 45 2HD PHE 45 -1.321 1.332 0.104 326 HE1 PHE 45 1HE PHE 45 2.239 0.839 -3.307 327 HE2 PHE 45 2HE PHE 45 0.926 0.463 0.755 328 HZ PHE 45 HZ PHE 45 2.694 0.192 -0.959 329 HA PRO 46 HA PRO 46 -6.634 0.654 -1.711 330 1HB PRO 46 2HB PRO 46 -8.366 2.703 -2.153 331 2HB PRO 46 3HB PRO 46 -7.033 2.785 -0.973 332 1HG PRO 46 2HG PRO 46 -7.036 3.839 -3.817 333 2HG PRO 46 3HG PRO 46 -6.549 4.693 -2.313 334 1HD PRO 46 2HD PRO 46 -4.752 3.494 -3.961 335 2HD PRO 46 3HD PRO 46 -4.537 3.516 -2.185 336 H ILE 47 H ILE 47 -6.487 -1.012 -3.343 337 HA ILE 47 HA ILE 47 -8.788 -0.903 -5.264 338 HB ILE 47 HB ILE 47 -7.586 -2.571 -6.657 339 1HG1 ILE 47 2HG1 ILE 47 -5.012 -1.625 -5.334 340 2HG1 ILE 47 3HG1 ILE 47 -5.782 -3.112 -4.844 341 1HG2 ILE 47 1HG2 ILE 47 -6.321 0.191 -6.438 342 2HG2 ILE 47 2HG2 ILE 47 -6.341 -0.844 -7.878 343 3HG2 ILE 47 3HG2 ILE 47 -7.854 -0.187 -7.245 344 1HD1 ILE 47 1HD1 ILE 47 -4.801 -2.521 -7.663 345 2HD1 ILE 47 2HD1 ILE 47 -4.046 -3.590 -6.468 346 3HD1 ILE 47 3HD1 ILE 47 -5.635 -4.005 -7.141 347 H ASN 48 H ASN 48 -10.038 -1.517 -3.477 348 HA ASN 48 HA ASN 48 -11.174 -2.960 -2.122 349 1HB ASN 48 2HB ASN 48 -11.746 -3.577 -4.515 350 2HB ASN 48 3HB ASN 48 -10.630 -4.933 -4.373 351 1HD2 ASN 48 1HD2 ASN 48 -12.756 -6.023 -5.000 352 2HD2 ASN 48 2HD2 ASN 48 -13.791 -6.494 -3.657 353 H ILE 49 H ILE 49 -8.872 -2.686 -0.995 354 HA ILE 49 HA ILE 49 -7.003 -4.716 -0.742 355 HB ILE 49 HB ILE 49 -7.866 -2.730 1.381 356 1HG1 ILE 49 2HG1 ILE 49 -5.462 -2.600 -0.496 357 2HG1 ILE 49 3HG1 ILE 49 -7.001 -1.858 -0.902 358 1HG2 ILE 49 1HG2 ILE 49 -6.598 -4.542 2.464 359 2HG2 ILE 49 2HG2 ILE 49 -5.351 -4.462 1.204 360 3HG2 ILE 49 3HG2 ILE 49 -5.567 -3.131 2.357 361 1HD1 ILE 49 1HD1 ILE 49 -5.374 -1.108 1.563 362 2HD1 ILE 49 2HD1 ILE 49 -5.436 -0.219 0.040 363 3HD1 ILE 49 3HD1 ILE 49 -6.903 -0.382 1.027 364 H VAL 50 H VAL 50 -9.943 -4.342 1.174 365 HA VAL 50 HA VAL 50 -9.649 -6.539 2.934 366 HB VAL 50 HB VAL 50 -11.178 -4.669 3.252 367 1HG1 VAL 50 1HG1 VAL 50 -12.974 -5.965 1.162 368 2HG1 VAL 50 2HG1 VAL 50 -13.377 -4.581 2.196 369 3HG1 VAL 50 3HG1 VAL 50 -12.107 -4.426 0.978 370 1HG2 VAL 50 1HG2 VAL 50 -11.496 -6.789 4.516 371 2HG2 VAL 50 2HG2 VAL 50 -12.977 -5.838 4.314 372 3HG2 VAL 50 3HG2 VAL 50 -12.719 -7.282 3.321 373 H ALA 51 H ALA 51 -10.487 -6.640 -0.450 374 HA ALA 51 HA ALA 51 -11.379 -9.469 -0.268 375 1HB ALA 51 1HB ALA 51 -11.131 -7.644 -2.683 376 2HB ALA 51 2HB ALA 51 -11.875 -9.253 -2.632 377 3HB ALA 51 3HB ALA 51 -12.617 -7.913 -1.735 378 H VAL 52 H VAL 52 -8.662 -7.548 -1.738 379 HA VAL 52 HA VAL 52 -7.414 -9.901 -2.823 380 HB VAL 52 HB VAL 52 -5.499 -8.686 -3.361 381 1HG1 VAL 52 1HG1 VAL 52 -7.591 -8.112 -4.601 382 2HG1 VAL 52 2HG1 VAL 52 -7.780 -6.686 -3.556 383 3HG1 VAL 52 3HG1 VAL 52 -6.368 -6.831 -4.613 384 1HG2 VAL 52 1HG2 VAL 52 -5.107 -6.317 -2.591 385 2HG2 VAL 52 2HG2 VAL 52 -6.340 -6.600 -1.344 386 3HG2 VAL 52 3HG2 VAL 52 -4.846 -7.555 -1.359 387 H LYS 53 H LYS 53 -7.101 -8.446 0.380 388 HA LYS 53 HA LYS 53 -5.000 -10.193 1.327 389 1HB LYS 53 2HB LYS 53 -5.507 -9.405 3.495 390 2HB LYS 53 3HB LYS 53 -5.816 -8.053 2.426 391 1HG LYS 53 2HG LYS 53 -8.247 -8.563 2.507 392 2HG LYS 53 3HG LYS 53 -7.952 -9.907 3.606 393 1HD LYS 53 2HD LYS 53 -7.220 -7.026 4.217 394 2HD LYS 53 3HD LYS 53 -8.743 -7.766 4.684 395 1HE LYS 53 2HE LYS 53 -6.002 -8.745 5.619 396 2HE LYS 53 3HE LYS 53 -7.078 -7.675 6.517 397 1HZ LYS 53 1HZ LYS 53 -8.778 -9.586 6.211 398 2HZ LYS 53 2HZ LYS 53 -7.637 -9.728 7.360 399 3HZ LYS 53 3HZ LYS 53 -7.469 -10.534 5.955 400 H ASN 54 H ASN 54 -8.444 -10.671 0.960 401 HA ASN 54 HA ASN 54 -8.766 -12.865 2.767 402 1HB ASN 54 2HB ASN 54 -10.461 -11.175 1.630 403 2HB ASN 54 3HB ASN 54 -10.555 -12.390 0.362 404 1HD2 ASN 54 1HD2 ASN 54 -12.054 -11.321 3.104 405 2HD2 ASN 54 2HD2 ASN 54 -12.799 -12.839 3.598 406 H ASP 55 H ASP 55 -7.805 -12.720 -0.600 407 HA ASP 55 HA ASP 55 -7.806 -15.591 -1.104 408 1HB ASP 55 2HB ASP 55 -8.049 -13.872 -2.877 409 2HB ASP 55 3HB ASP 55 -6.411 -13.307 -2.555 410 H HIS 56 H HIS 56 -6.778 -15.851 1.096 411 HA HIS 56 HA HIS 56 -3.988 -15.396 1.542 412 1HB HIS 56 2HB HIS 56 -4.377 -16.702 3.582 413 2HB HIS 56 3HB HIS 56 -5.600 -15.472 3.320 414 HD1 HIS 56 1HD HIS 56 -6.436 -18.555 1.308 415 HD2 HIS 56 2HD HIS 56 -6.927 -17.030 5.210 416 HE1 HIS 56 1HE HIS 56 -8.311 -19.905 2.368 417 H ASP 57 H ASP 57 -4.085 -16.652 -0.896 418 HA ASP 57 HA ASP 57 -3.639 -19.515 -0.814 419 1HB ASP 57 2HB ASP 57 -4.751 -18.209 -2.649 420 2HB ASP 57 3HB ASP 57 -3.185 -17.513 -3.063 421 H PHE 58 H PHE 58 -1.839 -18.507 0.925 422 HA PHE 58 HA PHE 58 0.865 -18.807 -0.336 423 1HB PHE 58 2HB PHE 58 0.228 -17.068 2.061 424 2HB PHE 58 3HB PHE 58 1.734 -17.139 1.158 425 HD1 PHE 58 1HD PHE 58 1.098 -16.784 -1.623 426 HD2 PHE 58 2HD PHE 58 -0.804 -14.986 1.810 427 HE1 PHE 58 1HE PHE 58 0.311 -14.904 -3.037 428 HE2 PHE 58 2HE PHE 58 -1.570 -13.100 0.391 429 HZ PHE 58 HZ PHE 58 -1.019 -13.059 -2.034 430 H LEU 59 H LEU 59 2.555 -19.335 1.398 431 HA LEU 59 HA LEU 59 1.923 -21.868 2.516 432 1HB LEU 59 2HB LEU 59 4.177 -20.995 1.712 433 2HB LEU 59 3HB LEU 59 4.278 -20.069 3.209 434 HG LEU 59 HG LEU 59 4.147 -22.266 4.489 435 1HD1 LEU 59 1HD1 LEU 59 4.705 -24.338 3.208 436 2HD1 LEU 59 2HD1 LEU 59 4.469 -23.444 1.689 437 3HD1 LEU 59 3HD1 LEU 59 3.105 -23.716 2.797 438 1HD2 LEU 59 1HD2 LEU 59 6.285 -21.153 4.061 439 2HD2 LEU 59 2HD2 LEU 59 6.416 -21.967 2.485 440 3HD2 LEU 59 3HD2 LEU 59 6.467 -22.912 3.990 441 H GLU 60 H GLU 60 1.910 -18.678 4.002 442 HA GLU 60 HA GLU 60 0.781 -19.786 6.530 443 1HB GLU 60 2HB GLU 60 3.079 -17.803 6.268 444 2HB GLU 60 3HB GLU 60 2.166 -18.012 7.754 445 1HG GLU 60 2HG GLU 60 3.734 -20.250 6.396 446 2HG GLU 60 3HG GLU 60 4.377 -19.190 7.636 447 H LYS 61 H LYS 61 -1.041 -18.801 7.086 448 HA LYS 61 HA LYS 61 -2.105 -16.481 5.757 449 1HB LYS 61 2HB LYS 61 -3.916 -16.575 7.327 450 2HB LYS 61 3HB LYS 61 -3.521 -18.205 6.790 451 1HG LYS 61 2HG LYS 61 -2.255 -18.584 8.915 452 2HG LYS 61 3HG LYS 61 -2.703 -16.972 9.472 453 1HD LYS 61 2HD LYS 61 -4.663 -19.198 8.768 454 2HD LYS 61 3HD LYS 61 -4.116 -18.841 10.400 455 1HE LYS 61 2HE LYS 61 -5.615 -16.852 8.629 456 2HE LYS 61 3HE LYS 61 -6.390 -17.932 9.784 457 1HZ LYS 61 1HZ LYS 61 -4.399 -15.850 10.512 458 2HZ LYS 61 2HZ LYS 61 -5.114 -16.879 11.566 459 3HZ LYS 61 3HZ LYS 61 -6.006 -15.769 10.776 460 H ASP 62 H ASP 62 0.098 -16.666 8.408 461 HA ASP 62 HA ASP 62 -0.365 -14.066 9.557 462 1HB ASP 62 2HB ASP 62 2.141 -15.784 9.440 463 2HB ASP 62 3HB ASP 62 1.996 -14.306 10.388 464 H LEU 63 H LEU 63 1.011 -14.894 6.478 465 HA LEU 63 HA LEU 63 2.498 -12.444 6.060 466 1HB LEU 63 2HB LEU 63 2.749 -14.665 4.846 467 2HB LEU 63 3HB LEU 63 1.221 -14.336 4.037 468 HG LEU 63 HG LEU 63 2.231 -12.350 2.930 469 1HD1 LEU 63 1HD1 LEU 63 4.795 -13.240 4.329 470 2HD1 LEU 63 2HD1 LEU 63 3.926 -11.714 4.598 471 3HD1 LEU 63 3HD1 LEU 63 4.691 -12.020 3.039 472 1HD2 LEU 63 1HD2 LEU 63 3.832 -14.929 2.664 473 2HD2 LEU 63 2HD2 LEU 63 3.816 -13.606 1.483 474 3HD2 LEU 63 3HD2 LEU 63 2.331 -14.515 1.804 475 H VAL 64 H VAL 64 -0.875 -13.176 6.093 476 HA VAL 64 HA VAL 64 -1.761 -11.123 4.227 477 HB VAL 64 HB VAL 64 -3.334 -12.790 6.226 478 1HG1 VAL 64 1HG1 VAL 64 -5.264 -12.309 4.763 479 2HG1 VAL 64 2HG1 VAL 64 -4.648 -10.848 5.535 480 3HG1 VAL 64 3HG1 VAL 64 -4.247 -11.185 3.831 481 1HG2 VAL 64 1HG2 VAL 64 -2.835 -13.172 3.229 482 2HG2 VAL 64 2HG2 VAL 64 -2.160 -14.193 4.518 483 3HG2 VAL 64 3HG2 VAL 64 -3.899 -14.166 4.243 484 H GLU 65 H GLU 65 -1.303 -11.241 7.732 485 HA GLU 65 HA GLU 65 -2.699 -8.846 8.448 486 1HB GLU 65 2HB GLU 65 -0.582 -10.522 9.702 487 2HB GLU 65 3HB GLU 65 -0.532 -8.813 10.136 488 1HG GLU 65 2HG GLU 65 -2.988 -8.940 10.701 489 2HG GLU 65 3HG GLU 65 -2.881 -10.694 10.508 490 HA PRO 66 HA PRO 66 1.142 -6.196 7.642 491 1HB PRO 66 2HB PRO 66 3.330 -7.138 6.293 492 2HB PRO 66 3HB PRO 66 3.130 -7.198 8.066 493 1HG PRO 66 2HG PRO 66 2.544 -9.403 6.071 494 2HG PRO 66 3HG PRO 66 3.459 -9.516 7.606 495 1HD PRO 66 2HD PRO 66 0.858 -10.227 7.407 496 2HD PRO 66 3HD PRO 66 1.476 -9.407 8.873 497 H LEU 67 H LEU 67 0.382 -8.548 5.029 498 HA LEU 67 HA LEU 67 0.571 -6.830 2.793 499 1HB LEU 67 2HB LEU 67 0.097 -9.190 2.550 500 2HB LEU 67 3HB LEU 67 -1.407 -9.032 3.448 501 HG LEU 67 HG LEU 67 -2.403 -7.685 1.642 502 1HD1 LEU 67 1HD1 LEU 67 -0.390 -6.649 0.659 503 2HD1 LEU 67 2HD1 LEU 67 -1.295 -7.551 -0.560 504 3HD1 LEU 67 3HD1 LEU 67 0.187 -8.248 0.132 505 1HD2 LEU 67 1HD2 LEU 67 -1.194 -10.299 0.663 506 2HD2 LEU 67 2HD2 LEU 67 -2.653 -9.501 0.031 507 3HD2 LEU 67 3HD2 LEU 67 -2.639 -10.147 1.682 508 H CYS 68 H CYS 68 -2.316 -7.275 4.915 509 HA CYS 68 HA CYS 68 -3.767 -5.045 3.789 510 1HB CYS 68 2HB CYS 68 -4.779 -6.926 5.059 511 2HB CYS 68 3HB CYS 68 -4.031 -6.311 6.550 512 HG CYS 68 HG CYS 68 -6.562 -5.601 6.574 513 H ARG 69 H ARG 69 -1.784 -5.283 6.766 514 HA ARG 69 HA ARG 69 -2.184 -2.701 7.779 515 1HB ARG 69 2HB ARG 69 -1.016 -4.767 8.805 516 2HB ARG 69 3HB ARG 69 0.454 -4.180 8.017 517 1HG ARG 69 2HG ARG 69 0.152 -2.004 9.307 518 2HG ARG 69 3HG ARG 69 -1.223 -2.776 10.134 519 1HD ARG 69 2HD ARG 69 0.396 -4.674 10.755 520 2HD ARG 69 3HD ARG 69 1.699 -3.634 10.152 521 HE ARG 69 HE ARG 69 -0.073 -2.429 12.184 522 1HH1 ARG 69 1HH1 ARG 69 2.936 -4.160 11.751 523 2HH1 ARG 69 2HH1 ARG 69 3.503 -3.756 13.348 524 1HH2 ARG 69 1HH2 ARG 69 0.683 -1.980 14.211 525 2HH2 ARG 69 2HH2 ARG 69 2.249 -2.557 14.701 526 H ARG 70 H ARG 70 0.484 -3.690 5.624 527 HA ARG 70 HA ARG 70 1.686 -1.051 5.439 528 1HB ARG 70 2HB ARG 70 1.918 -3.465 3.578 529 2HB ARG 70 3HB ARG 70 2.910 -2.029 3.492 530 1HG ARG 70 2HG ARG 70 3.012 -4.253 5.513 531 2HG ARG 70 3HG ARG 70 4.287 -3.508 4.577 532 1HD ARG 70 2HD ARG 70 3.934 -1.425 6.074 533 2HD ARG 70 3HD ARG 70 2.923 -2.468 7.082 534 HE ARG 70 HE ARG 70 5.365 -3.833 6.660 535 1HH1 ARG 70 1HH1 ARG 70 4.374 -0.928 8.338 536 2HH1 ARG 70 2HH1 ARG 70 5.695 -1.024 9.468 537 1HH2 ARG 70 1HH2 ARG 70 7.021 -3.899 8.115 538 2HH2 ARG 70 2HH2 ARG 70 7.143 -2.681 9.345 539 H LEU 71 H LEU 71 -0.640 -2.717 3.311 540 HA LEU 71 HA LEU 71 -0.916 -0.579 1.411 541 1HB LEU 71 2HB LEU 71 -2.831 -2.771 2.263 542 2HB LEU 71 3HB LEU 71 -3.165 -1.639 0.960 543 HG LEU 71 HG LEU 71 -0.770 -3.525 0.962 544 1HD1 LEU 71 1HD1 LEU 71 -2.934 -4.748 0.853 545 2HD1 LEU 71 2HD1 LEU 71 -2.030 -4.848 -0.662 546 3HD1 LEU 71 3HD1 LEU 71 -3.416 -3.745 -0.537 547 1HD2 LEU 71 1HD2 LEU 71 -0.300 -1.691 -0.484 548 2HD2 LEU 71 2HD2 LEU 71 -1.951 -1.688 -1.155 549 3HD2 LEU 71 3HD2 LEU 71 -0.829 -3.015 -1.509 550 H ASN 72 H ASN 72 -2.810 -1.279 4.363 551 HA ASN 72 HA ASN 72 -4.526 0.978 4.285 552 1HB ASN 72 2HB ASN 72 -4.902 -1.006 5.677 553 2HB ASN 72 3HB ASN 72 -3.457 -0.661 6.624 554 1HD2 ASN 72 1HD2 ASN 72 -3.800 0.463 8.530 555 2HD2 ASN 72 2HD2 ASN 72 -5.233 1.442 8.816 556 H THR 73 H THR 73 -1.284 0.676 5.737 557 HA THR 73 HA THR 73 -1.163 3.182 7.072 558 HB THR 73 HB THR 73 1.128 1.656 5.768 559 HG1 THR 73 1HG THR 73 0.007 0.454 7.325 560 1HG2 THR 73 1HG2 THR 73 1.110 3.810 7.930 561 2HG2 THR 73 2HG2 THR 73 1.914 3.891 6.343 562 3HG2 THR 73 3HG2 THR 73 2.495 2.756 7.568 563 H LEU 74 H LEU 74 -0.269 2.440 3.672 564 HA LEU 74 HA LEU 74 0.313 5.248 3.053 565 1HB LEU 74 2HB LEU 74 0.274 2.651 1.571 566 2HB LEU 74 3HB LEU 74 0.029 4.115 0.616 567 HG LEU 74 HG LEU 74 2.116 5.085 1.435 568 1HD1 LEU 74 1HD1 LEU 74 2.326 2.496 3.012 569 2HD1 LEU 74 2HD1 LEU 74 2.390 4.162 3.634 570 3HD1 LEU 74 3HD1 LEU 74 3.719 3.532 2.635 571 1HD2 LEU 74 1HD2 LEU 74 2.071 3.414 -0.542 572 2HD2 LEU 74 2HD2 LEU 74 2.809 2.263 0.585 573 3HD2 LEU 74 3HD2 LEU 74 3.638 3.780 0.200 574 H ASN 75 H ASN 75 -2.576 3.210 2.773 575 HA ASN 75 HA ASN 75 -4.135 4.781 1.072 576 1HB ASN 75 2HB ASN 75 -4.620 2.497 2.070 577 2HB ASN 75 3HB ASN 75 -5.179 3.323 3.528 578 1HD2 ASN 75 1HD2 ASN 75 -6.989 1.720 2.514 579 2HD2 ASN 75 2HD2 ASN 75 -8.175 2.614 1.572 580 H LYS 76 H LYS 76 -3.633 5.257 4.541 581 HA LYS 76 HA LYS 76 -5.289 7.450 5.166 582 1HB LYS 76 2HB LYS 76 -3.787 6.114 6.719 583 2HB LYS 76 3HB LYS 76 -2.415 6.987 6.057 584 1HG LYS 76 2HG LYS 76 -2.705 8.297 7.863 585 2HG LYS 76 3HG LYS 76 -3.876 9.131 6.854 586 1HD LYS 76 2HD LYS 76 -5.697 7.714 7.878 587 2HD LYS 76 3HD LYS 76 -4.459 6.969 8.919 588 1HE LYS 76 2HE LYS 76 -3.851 9.297 9.724 589 2HE LYS 76 3HE LYS 76 -5.234 9.920 8.819 590 1HZ LYS 76 1HZ LYS 76 -5.818 9.520 11.133 591 2HZ LYS 76 2HZ LYS 76 -5.378 7.953 11.044 592 3HZ LYS 76 3HZ LYS 76 -6.671 8.490 10.199 593 H CYS 77 H CYS 77 -2.163 7.527 3.503 594 HA CYS 77 HA CYS 77 -2.177 10.482 3.261 595 1HB CYS 77 2HB CYS 77 -0.130 9.131 3.845 596 2HB CYS 77 3HB CYS 77 -0.172 8.436 2.213 597 HG CYS 77 HG CYS 77 1.677 10.362 2.483 598 H ALA 78 H ALA 78 -2.550 7.614 1.179 599 HA ALA 78 HA ALA 78 -2.442 8.858 -1.337 600 1HB ALA 78 1HB ALA 78 -2.246 6.423 -0.911 601 2HB ALA 78 2HB ALA 78 -3.984 6.360 -0.526 602 3HB ALA 78 3HB ALA 78 -3.451 6.785 -2.162 603 H SER 79 H SER 79 -5.316 8.278 0.689 604 HA SER 79 HA SER 79 -7.566 8.732 0.365 605 1HB SER 79 2HB SER 79 -6.225 11.448 0.229 606 2HB SER 79 3HB SER 79 -7.939 11.168 0.607 607 HG SER 79 HG SER 79 -6.593 11.341 2.492 608 H MET 80 H MET 80 -7.689 7.630 -1.719 609 HA MET 80 HA MET 80 -7.540 9.015 -4.218 610 1HB MET 80 2HB MET 80 -8.018 6.962 -5.205 611 2HB MET 80 3HB MET 80 -7.135 6.551 -3.751 612 1HG MET 80 2HG MET 80 -10.146 6.349 -4.185 613 2HG MET 80 3HG MET 80 -9.009 5.023 -4.160 614 1HE MET 80 1HE MET 80 -10.860 3.874 -2.629 615 2HE MET 80 2HE MET 80 -11.388 4.519 -1.059 616 3HE MET 80 3HE MET 80 -11.827 5.365 -2.558 617 H LYS 81 H LYS 81 -9.467 8.425 -5.830 618 HA LYS 81 HA LYS 81 -12.114 9.323 -4.802 619 1HB LYS 81 2HB LYS 81 -10.712 10.169 -7.366 620 2HB LYS 81 3HB LYS 81 -12.425 10.425 -7.085 621 1HG LYS 81 2HG LYS 81 -10.384 11.563 -5.134 622 2HG LYS 81 3HG LYS 81 -10.692 12.341 -6.674 623 1HD LYS 81 2HD LYS 81 -12.024 13.407 -4.969 624 2HD LYS 81 3HD LYS 81 -13.043 12.640 -6.173 625 1HE LYS 81 2HE LYS 81 -14.027 12.324 -4.017 626 2HE LYS 81 3HE LYS 81 -13.500 10.759 -4.621 627 1HZ LYS 81 1HZ LYS 81 -12.930 11.183 -2.249 628 2HZ LYS 81 2HZ LYS 81 -11.942 12.404 -2.687 629 3HZ LYS 81 3HZ LYS 81 -11.594 10.862 -3.127 Start of MODEL 14 1 1H MET 1 1H MET 1 -17.657 4.271 -8.147 2 2H MET 1 2H MET 1 -18.493 5.666 -7.924 3 3H MET 1 3H MET 1 -19.286 4.298 -8.295 4 HA MET 1 HA MET 1 -19.541 4.871 -5.962 5 1HB MET 1 2HB MET 1 -19.182 2.652 -5.081 6 2HB MET 1 3HB MET 1 -19.832 2.557 -6.706 7 1HG MET 1 2HG MET 1 -17.645 1.941 -7.616 8 2HG MET 1 3HG MET 1 -16.872 2.230 -6.056 9 1HE MET 1 1HE MET 1 -15.660 0.083 -5.690 10 2HE MET 1 2HE MET 1 -16.312 -1.525 -6.071 11 3HE MET 1 3HE MET 1 -16.066 -0.336 -7.372 12 H HIS 2 H HIS 2 -17.167 6.544 -6.530 13 HA HIS 2 HA HIS 2 -15.384 5.817 -4.248 14 1HB HIS 2 2HB HIS 2 -14.570 6.827 -6.991 15 2HB HIS 2 3HB HIS 2 -13.496 6.579 -5.615 16 HD1 HIS 2 1HD HIS 2 -14.080 4.894 -8.660 17 HD2 HIS 2 2HD HIS 2 -14.097 3.722 -4.606 18 HE1 HIS 2 1HE HIS 2 -13.701 2.375 -8.640 19 H HIS 3 H HIS 3 -15.996 7.249 -2.759 20 HA HIS 3 HA HIS 3 -16.790 9.952 -3.134 21 1HB HIS 3 2HB HIS 3 -15.518 8.587 -0.722 22 2HB HIS 3 3HB HIS 3 -16.296 10.167 -0.700 23 HD1 HIS 3 1HD HIS 3 -17.157 6.502 -0.443 24 HD2 HIS 3 2HD HIS 3 -19.025 10.206 -1.243 25 HE1 HIS 3 1HE HIS 3 -19.658 6.108 -0.198 26 H HIS 4 H HIS 4 -13.580 8.652 -2.245 27 HA HIS 4 HA HIS 4 -12.287 11.281 -2.818 28 1HB HIS 4 2HB HIS 4 -11.353 8.819 -1.308 29 2HB HIS 4 3HB HIS 4 -10.291 10.147 -1.760 30 HD1 HIS 4 1HD HIS 4 -11.110 12.673 -0.713 31 HD2 HIS 4 2HD HIS 4 -12.527 9.096 1.019 32 HE1 HIS 4 1HE HIS 4 -11.971 13.295 1.600 33 H HIS 5 H HIS 5 -11.455 11.555 -4.737 34 HA HIS 5 HA HIS 5 -10.149 9.299 -6.209 35 1HB HIS 5 2HB HIS 5 -10.962 10.263 -8.289 36 2HB HIS 5 3HB HIS 5 -12.304 9.882 -7.218 37 HD1 HIS 5 1HD HIS 5 -10.385 12.965 -8.559 38 HD2 HIS 5 2HD HIS 5 -13.867 11.893 -6.428 39 HE1 HIS 5 1HE HIS 5 -11.760 15.099 -8.320 40 H HIS 6 H HIS 6 -9.445 12.054 -4.573 41 HA HIS 6 HA HIS 6 -7.397 13.233 -6.305 42 1HB HIS 6 2HB HIS 6 -8.046 13.583 -3.348 43 2HB HIS 6 3HB HIS 6 -6.868 14.533 -4.256 44 HD1 HIS 6 1HD HIS 6 -10.385 14.792 -3.259 45 HD2 HIS 6 2HD HIS 6 -7.988 15.829 -6.573 46 HE1 HIS 6 1HE HIS 6 -11.662 16.590 -4.530 47 H HIS 7 H HIS 7 -5.164 13.535 -5.144 48 HA HIS 7 HA HIS 7 -4.064 11.093 -3.910 49 1HB HIS 7 2HB HIS 7 -2.315 11.008 -5.737 50 2HB HIS 7 3HB HIS 7 -3.924 10.462 -6.201 51 HD1 HIS 7 1HD HIS 7 -5.156 11.854 -8.132 52 HD2 HIS 7 2HD HIS 7 -1.434 13.361 -6.833 53 HE1 HIS 7 1HE HIS 7 -4.502 13.671 -9.796 54 H SER 8 H SER 8 -2.021 11.392 -2.961 55 HA SER 8 HA SER 8 -0.352 13.674 -3.513 56 1HB SER 8 2HB SER 8 -1.988 14.692 -1.907 57 2HB SER 8 3HB SER 8 -1.516 13.485 -0.697 58 HG SER 8 HG SER 8 -0.430 15.561 -0.568 59 H SER 9 H SER 9 1.713 13.535 -2.446 60 HA SER 9 HA SER 9 2.610 10.829 -1.657 61 1HB SER 9 2HB SER 9 4.850 11.892 -1.632 62 2HB SER 9 3HB SER 9 4.017 12.066 -3.185 63 HG SER 9 HG SER 9 4.987 14.039 -2.467 64 H GLY 10 H GLY 10 1.508 13.699 -0.098 65 1HA GLY 10 2HA GLY 10 0.953 13.110 2.355 66 2HA GLY 10 1HA GLY 10 2.691 12.917 2.549 67 H LEU 11 H LEU 11 1.601 14.547 4.217 68 HA LEU 11 HA LEU 11 2.539 17.268 3.525 69 1HB LEU 11 2HB LEU 11 -0.282 16.447 4.011 70 2HB LEU 11 3HB LEU 11 0.237 17.781 5.021 71 HG LEU 11 HG LEU 11 0.597 17.814 1.998 72 1HD1 LEU 11 1HD1 LEU 11 -1.419 19.238 1.944 73 2HD1 LEU 11 2HD1 LEU 11 -1.675 18.952 3.683 74 3HD1 LEU 11 3HD1 LEU 11 -1.790 17.609 2.524 75 1HD2 LEU 11 1HD2 LEU 11 2.005 19.431 3.286 76 2HD2 LEU 11 2HD2 LEU 11 0.544 20.041 4.093 77 3HD2 LEU 11 3HD2 LEU 11 0.756 20.254 2.343 78 H VAL 12 H VAL 12 3.902 17.846 4.988 79 HA VAL 12 HA VAL 12 5.327 17.701 6.785 80 HB VAL 12 HB VAL 12 2.843 18.605 8.262 81 1HG1 VAL 12 1HG1 VAL 12 4.485 19.985 9.521 82 2HG1 VAL 12 2HG1 VAL 12 4.853 18.273 9.711 83 3HG1 VAL 12 3HG1 VAL 12 5.818 19.260 8.596 84 1HG2 VAL 12 1HG2 VAL 12 3.026 19.899 6.182 85 2HG2 VAL 12 2HG2 VAL 12 3.523 20.889 7.553 86 3HG2 VAL 12 3HG2 VAL 12 4.757 20.184 6.485 87 HA PRO 13 HA PRO 13 3.994 13.548 8.293 88 1HB PRO 13 2HB PRO 13 6.322 12.163 7.788 89 2HB PRO 13 3HB PRO 13 5.038 12.452 6.579 90 1HG PRO 13 2HG PRO 13 7.593 14.027 6.991 91 2HG PRO 13 3HG PRO 13 6.903 13.414 5.454 92 1HD PRO 13 2HD PRO 13 6.550 15.979 6.269 93 2HD PRO 13 3HD PRO 13 5.242 15.088 5.432 94 H ARG 14 H ARG 14 3.968 13.247 10.394 95 HA ARG 14 HA ARG 14 6.376 13.668 12.126 96 1HB ARG 14 2HB ARG 14 3.608 14.915 12.413 97 2HB ARG 14 3HB ARG 14 4.648 14.694 13.812 98 1HG ARG 14 2HG ARG 14 5.421 16.337 11.359 99 2HG ARG 14 3HG ARG 14 4.742 16.975 12.861 100 1HD ARG 14 2HD ARG 14 6.683 15.919 14.104 101 2HD ARG 14 3HD ARG 14 7.412 15.554 12.524 102 HE ARG 14 HE ARG 14 6.748 18.332 12.623 103 1HH1 ARG 14 1HH1 ARG 14 9.083 16.162 14.058 104 2HH1 ARG 14 2HH1 ARG 14 10.240 17.435 14.340 105 1HH2 ARG 14 1HH2 ARG 14 8.252 19.919 13.018 106 2HH2 ARG 14 2HH2 ARG 14 9.769 19.507 13.761 107 H GLY 15 H GLY 15 6.374 12.586 14.092 108 1HA GLY 15 2HA GLY 15 6.078 10.761 15.495 109 2HA GLY 15 1HA GLY 15 4.403 10.656 14.946 110 H SER 16 H SER 16 7.707 10.009 13.876 111 HA SER 16 HA SER 16 8.717 8.617 12.444 112 1HB SER 16 2HB SER 16 8.530 6.258 12.897 113 2HB SER 16 3HB SER 16 8.516 7.214 14.381 114 HG SER 16 HG SER 16 6.951 5.556 14.432 115 H GLN 17 H GLN 17 6.037 9.670 11.374 116 HA GLN 17 HA GLN 17 4.829 7.840 9.684 117 1HB GLN 17 2HB GLN 17 3.994 10.046 10.383 118 2HB GLN 17 3HB GLN 17 5.130 10.837 9.281 119 1HG GLN 17 2HG GLN 17 3.982 9.712 7.360 120 2HG GLN 17 3HG GLN 17 2.853 8.955 8.492 121 1HE2 GLN 17 1HE2 GLN 17 2.091 10.744 6.292 122 2HE2 GLN 17 2HE2 GLN 17 1.398 12.162 7.073 123 H GLU 18 H GLU 18 7.722 9.808 8.857 124 HA GLU 18 HA GLU 18 7.826 8.990 6.073 125 1HB GLU 18 2HB GLU 18 10.088 9.844 7.933 126 2HB GLU 18 3HB GLU 18 10.224 9.598 6.188 127 1HG GLU 18 2HG GLU 18 8.381 11.341 5.905 128 2HG GLU 18 3HG GLU 18 8.597 11.714 7.622 129 H ILE 19 H ILE 19 9.141 7.564 9.041 130 HA ILE 19 HA ILE 19 10.645 5.443 7.769 131 HB ILE 19 HB ILE 19 9.540 5.543 10.607 132 1HG1 ILE 19 2HG1 ILE 19 12.276 6.391 9.544 133 2HG1 ILE 19 3HG1 ILE 19 11.012 7.494 10.089 134 1HG2 ILE 19 1HG2 ILE 19 11.278 3.852 11.089 135 2HG2 ILE 19 2HG2 ILE 19 10.175 3.263 9.862 136 3HG2 ILE 19 3HG2 ILE 19 11.778 3.865 9.382 137 1HD1 ILE 19 1HD1 ILE 19 12.545 5.546 11.839 138 2HD1 ILE 19 2HD1 ILE 19 12.614 7.311 11.842 139 3HD1 ILE 19 3HD1 ILE 19 11.133 6.493 12.375 140 H GLU 20 H GLU 20 7.397 5.566 9.291 141 HA GLU 20 HA GLU 20 6.507 2.948 8.627 142 1HB GLU 20 2HB GLU 20 5.012 5.585 8.880 143 2HB GLU 20 3HB GLU 20 4.192 4.057 8.596 144 1HG GLU 20 2HG GLU 20 6.009 4.574 10.988 145 2HG GLU 20 3HG GLU 20 4.264 4.808 10.996 146 H ALA 21 H ALA 21 6.175 5.943 6.639 147 HA ALA 21 HA ALA 21 4.899 4.713 4.449 148 1HB ALA 21 1HB ALA 21 5.570 6.729 3.199 149 2HB ALA 21 2HB ALA 21 4.958 7.136 4.813 150 3HB ALA 21 3HB ALA 21 6.707 7.162 4.492 151 H LYS 22 H LYS 22 8.379 5.317 4.931 152 HA LYS 22 HA LYS 22 9.358 4.153 2.504 153 1HB LYS 22 2HB LYS 22 10.612 5.690 3.938 154 2HB LYS 22 3HB LYS 22 10.670 4.496 5.238 155 1HG LYS 22 2HG LYS 22 12.039 2.998 3.869 156 2HG LYS 22 3HG LYS 22 11.909 4.083 2.476 157 1HD LYS 22 2HD LYS 22 13.168 4.864 5.147 158 2HD LYS 22 3HD LYS 22 14.081 4.221 3.772 159 1HE LYS 22 2HE LYS 22 13.342 6.103 2.355 160 2HE LYS 22 3HE LYS 22 12.393 6.766 3.692 161 1HZ LYS 22 1HZ LYS 22 15.345 6.427 3.724 162 2HZ LYS 22 2HZ LYS 22 14.455 7.069 4.938 163 3HZ LYS 22 3HZ LYS 22 14.565 7.843 3.506 164 H GLU 23 H GLU 23 9.147 2.693 5.770 165 HA GLU 23 HA GLU 23 10.050 0.095 4.962 166 1HB GLU 23 2HB GLU 23 8.421 0.991 7.367 167 2HB GLU 23 3HB GLU 23 8.977 -0.669 7.112 168 1HG GLU 23 2HG GLU 23 11.327 0.149 6.948 169 2HG GLU 23 3HG GLU 23 10.785 1.766 7.385 170 H ALA 24 H ALA 24 6.730 1.459 4.926 171 HA ALA 24 HA ALA 24 5.378 -0.994 4.458 172 1HB ALA 24 1HB ALA 24 4.738 1.825 3.513 173 2HB ALA 24 2HB ALA 24 3.606 0.462 3.473 174 3HB ALA 24 3HB ALA 24 4.202 1.071 5.029 175 H CYS 25 H CYS 25 6.428 1.359 1.932 176 HA CYS 25 HA CYS 25 5.921 -0.342 -0.294 177 1HB CYS 25 2HB CYS 25 7.796 2.010 0.151 178 2HB CYS 25 3HB CYS 25 7.711 1.157 -1.403 179 HG CYS 25 HG CYS 25 6.269 3.356 -1.521 180 H ASP 26 H ASP 26 8.955 0.023 1.608 181 HA ASP 26 HA ASP 26 10.485 -1.823 0.050 182 1HB ASP 26 2HB ASP 26 11.401 -0.156 1.655 183 2HB ASP 26 3HB ASP 26 10.778 -1.125 2.994 184 H TRP 27 H TRP 27 8.402 -2.407 2.935 185 HA TRP 27 HA TRP 27 9.010 -5.174 3.215 186 1HB TRP 27 2HB TRP 27 7.872 -3.818 4.944 187 2HB TRP 27 3HB TRP 27 6.421 -3.768 3.938 188 HD1 TRP 27 HD1 TRP 27 8.444 -5.972 6.242 189 HE1 TRP 27 1HE TRP 27 7.266 -8.223 6.668 190 HE3 TRP 27 3HE TRP 27 4.562 -5.528 2.921 191 HZ2 TRP 27 2HZ TRP 27 5.094 -9.719 5.548 192 HZ3 TRP 27 3HZ TRP 27 2.974 -7.413 2.590 193 HH2 TRP 27 HH2 TRP 27 3.227 -9.507 3.888 194 H LEU 28 H LEU 28 6.384 -3.597 1.308 195 HA LEU 28 HA LEU 28 5.157 -5.976 0.364 196 1HB LEU 28 2HB LEU 28 5.398 -3.156 -0.658 197 2HB LEU 28 3HB LEU 28 4.888 -4.375 -1.809 198 HG LEU 28 HG LEU 28 2.945 -3.385 -1.064 199 1HD1 LEU 28 1HD1 LEU 28 2.971 -5.938 -1.078 200 2HD1 LEU 28 2HD1 LEU 28 1.646 -5.150 -0.204 201 3HD1 LEU 28 3HD1 LEU 28 3.000 -5.851 0.697 202 1HD2 LEU 28 1HD2 LEU 28 2.233 -3.197 1.283 203 2HD2 LEU 28 2HD2 LEU 28 3.648 -2.214 0.889 204 3HD2 LEU 28 3HD2 LEU 28 3.851 -3.725 1.799 205 H ARG 29 H ARG 29 7.928 -4.261 -1.046 206 HA ARG 29 HA ARG 29 8.435 -6.139 -3.181 207 1HB ARG 29 2HB ARG 29 9.322 -3.833 -3.107 208 2HB ARG 29 3HB ARG 29 10.381 -4.259 -1.758 209 1HG ARG 29 2HG ARG 29 11.645 -5.813 -3.150 210 2HG ARG 29 3HG ARG 29 10.469 -5.672 -4.457 211 1HD ARG 29 2HD ARG 29 11.071 -3.140 -4.490 212 2HD ARG 29 3HD ARG 29 12.443 -3.585 -3.481 213 HE ARG 29 HE ARG 29 13.437 -4.728 -5.291 214 1HH1 ARG 29 1HH1 ARG 29 10.318 -3.532 -6.330 215 2HH1 ARG 29 2HH1 ARG 29 10.620 -3.929 -8.002 216 1HH2 ARG 29 1HH2 ARG 29 13.764 -5.195 -7.430 217 2HH2 ARG 29 2HH2 ARG 29 12.524 -4.839 -8.597 218 H ALA 30 H ALA 30 9.958 -5.904 0.052 219 HA ALA 30 HA ALA 30 11.610 -8.186 -0.155 220 1HB ALA 30 1HB ALA 30 10.305 -6.985 2.324 221 2HB ALA 30 2HB ALA 30 11.736 -8.034 2.295 222 3HB ALA 30 3HB ALA 30 11.810 -6.420 1.562 223 H ALA 31 H ALA 31 8.210 -8.022 0.908 224 HA ALA 31 HA ALA 31 7.931 -10.774 1.672 225 1HB ALA 31 1HB ALA 31 6.511 -8.904 2.470 226 2HB ALA 31 2HB ALA 31 5.848 -8.708 0.833 227 3HB ALA 31 3HB ALA 31 5.542 -10.200 1.747 228 H GLY 32 H GLY 32 8.205 -9.426 -1.467 229 1HA GLY 32 2HA GLY 32 8.438 -10.794 -3.379 230 2HA GLY 32 1HA GLY 32 7.338 -11.993 -2.706 231 H PHE 33 H PHE 33 6.041 -8.817 -2.425 232 HA PHE 33 HA PHE 33 4.591 -9.025 -5.034 233 1HB PHE 33 2HB PHE 33 3.299 -8.296 -2.398 234 2HB PHE 33 3HB PHE 33 2.532 -8.385 -3.982 235 HD1 PHE 33 1HD PHE 33 3.056 -10.848 -5.202 236 HD2 PHE 33 2HD PHE 33 2.676 -10.038 -0.976 237 HE1 PHE 33 1HE PHE 33 2.415 -13.211 -4.800 238 HE2 PHE 33 2HE PHE 33 2.023 -12.400 -0.587 239 HZ PHE 33 HZ PHE 33 1.896 -13.990 -2.494 240 HA PRO 34 HA PRO 34 6.459 -4.769 -4.433 241 1HB PRO 34 2HB PRO 34 7.788 -4.607 -6.844 242 2HB PRO 34 3HB PRO 34 8.486 -5.305 -5.361 243 1HG PRO 34 2HG PRO 34 7.168 -6.766 -7.663 244 2HG PRO 34 3HG PRO 34 8.726 -7.145 -6.858 245 1HD PRO 34 2HD PRO 34 6.431 -8.446 -6.216 246 2HD PRO 34 3HD PRO 34 7.636 -8.023 -4.960 247 H GLN 35 H GLN 35 4.517 -6.351 -6.855 248 HA GLN 35 HA GLN 35 3.746 -4.271 -8.541 249 1HB GLN 35 2HB GLN 35 1.728 -5.531 -8.973 250 2HB GLN 35 3HB GLN 35 3.114 -6.611 -8.853 251 1HG GLN 35 2HG GLN 35 2.401 -7.193 -6.496 252 2HG GLN 35 3HG GLN 35 0.974 -6.177 -6.713 253 1HE2 GLN 35 1HE2 GLN 35 -0.831 -7.034 -7.854 254 2HE2 GLN 35 2HE2 GLN 35 -0.786 -8.656 -8.533 255 H TYR 36 H TYR 36 2.582 -4.860 -5.229 256 HA TYR 36 HA TYR 36 0.563 -2.779 -5.299 257 1HB TYR 36 2HB TYR 36 1.934 -4.113 -2.947 258 2HB TYR 36 3HB TYR 36 0.492 -3.102 -2.859 259 HD1 TYR 36 2HD TYR 36 -1.434 -3.908 -4.677 260 HD2 TYR 36 1HD TYR 36 1.558 -6.418 -2.840 261 HE1 TYR 36 2HE TYR 36 -2.803 -5.930 -5.184 262 HE2 TYR 36 1HE TYR 36 0.174 -8.425 -3.323 263 HH TYR 36 HH TYR 36 -1.718 -9.230 -4.314 264 H ALA 37 H ALA 37 3.873 -2.863 -3.861 265 HA ALA 37 HA ALA 37 4.011 -0.186 -2.986 266 1HB ALA 37 1HB ALA 37 6.463 -0.496 -3.113 267 2HB ALA 37 2HB ALA 37 5.653 -1.885 -2.384 268 3HB ALA 37 3HB ALA 37 6.230 -1.982 -4.059 269 H GLN 38 H GLN 38 4.882 -1.476 -6.214 270 HA GLN 38 HA GLN 38 5.769 1.025 -7.312 271 1HB GLN 38 2HB GLN 38 4.760 -1.545 -8.591 272 2HB GLN 38 3HB GLN 38 5.397 -0.191 -9.527 273 1HG GLN 38 2HG GLN 38 6.972 -1.670 -7.365 274 2HG GLN 38 3HG GLN 38 7.090 -1.978 -9.091 275 1HE2 GLN 38 1HE2 GLN 38 8.387 -0.075 -6.512 276 2HE2 GLN 38 2HE2 GLN 38 9.254 1.048 -7.554 277 H LEU 39 H LEU 39 2.542 0.038 -6.624 278 HA LEU 39 HA LEU 39 1.354 2.053 -8.451 279 1HB LEU 39 2HB LEU 39 0.145 -0.051 -6.622 280 2HB LEU 39 3HB LEU 39 -0.806 1.129 -7.489 281 HG LEU 39 HG LEU 39 1.028 -0.871 -8.867 282 1HD1 LEU 39 1HD1 LEU 39 -0.828 -1.999 -7.692 283 2HD1 LEU 39 2HD1 LEU 39 -1.047 -2.067 -9.448 284 3HD1 LEU 39 3HD1 LEU 39 -1.997 -0.913 -8.481 285 1HD2 LEU 39 1HD2 LEU 39 -0.301 -0.309 -10.880 286 2HD2 LEU 39 2HD2 LEU 39 0.624 1.070 -10.289 287 3HD2 LEU 39 3HD2 LEU 39 -1.123 0.973 -9.976 288 H TYR 40 H TYR 40 2.860 2.318 -5.521 289 HA TYR 40 HA TYR 40 1.057 3.918 -4.000 290 1HB TYR 40 2HB TYR 40 3.138 3.009 -3.063 291 2HB TYR 40 3HB TYR 40 4.088 3.978 -4.172 292 HD1 TYR 40 1HD TYR 40 1.088 5.038 -2.101 293 HD2 TYR 40 2HD TYR 40 5.357 5.327 -2.733 294 HE1 TYR 40 1HE TYR 40 1.222 6.810 -0.382 295 HE2 TYR 40 2HE TYR 40 5.483 7.090 -0.976 296 HH TYR 40 HH TYR 40 2.585 8.249 0.771 297 H GLU 41 H GLU 41 3.693 5.059 -6.169 298 HA GLU 41 HA GLU 41 2.799 7.807 -6.130 299 1HB GLU 41 2HB GLU 41 4.642 6.380 -8.092 300 2HB GLU 41 3HB GLU 41 4.417 8.132 -7.964 301 1HG GLU 41 2HG GLU 41 5.177 8.003 -5.560 302 2HG GLU 41 3HG GLU 41 5.574 6.302 -5.817 303 H ASP 42 H ASP 42 1.921 5.088 -8.159 304 HA ASP 42 HA ASP 42 0.411 6.679 -10.103 305 1HB ASP 42 2HB ASP 42 1.486 4.370 -10.479 306 2HB ASP 42 3HB ASP 42 0.135 3.709 -9.557 307 H SER 43 H SER 43 -0.117 5.953 -6.895 308 HA SER 43 HA SER 43 -1.787 6.084 -5.430 309 1HB SER 43 2HB SER 43 -3.152 7.789 -7.534 310 2HB SER 43 3HB SER 43 -3.512 7.760 -5.796 311 HG SER 43 HG SER 43 -1.013 8.452 -6.988 312 H GLN 44 H GLN 44 -1.859 3.699 -6.814 313 HA GLN 44 HA GLN 44 -4.783 3.031 -6.670 314 1HB GLN 44 2HB GLN 44 -2.777 1.541 -8.381 315 2HB GLN 44 3HB GLN 44 -4.515 1.261 -8.239 316 1HG GLN 44 2HG GLN 44 -4.814 3.685 -9.062 317 2HG GLN 44 3HG GLN 44 -3.110 3.619 -9.527 318 1HE2 GLN 44 1HE2 GLN 44 -5.519 3.905 -11.275 319 2HE2 GLN 44 2HE2 GLN 44 -5.443 2.514 -12.357 320 H PHE 45 H PHE 45 -2.854 3.134 -4.480 321 HA PHE 45 HA PHE 45 -2.568 0.480 -3.376 322 1HB PHE 45 2HB PHE 45 -2.303 3.263 -2.432 323 2HB PHE 45 3HB PHE 45 -2.999 2.200 -1.233 324 HD1 PHE 45 2HD PHE 45 -0.216 1.937 -3.779 325 HD2 PHE 45 1HD PHE 45 -1.499 1.328 0.288 326 HE1 PHE 45 2HE PHE 45 2.026 1.067 -3.190 327 HE2 PHE 45 1HE PHE 45 0.737 0.376 0.846 328 HZ PHE 45 HZ PHE 45 2.499 0.245 -0.896 329 HA PRO 46 HA PRO 46 -6.842 0.886 -1.389 330 1HB PRO 46 2HB PRO 46 -8.589 2.926 -1.858 331 2HB PRO 46 3HB PRO 46 -7.223 3.061 -0.723 332 1HG PRO 46 2HG PRO 46 -7.319 3.998 -3.604 333 2HG PRO 46 3HG PRO 46 -6.782 4.910 -2.156 334 1HD PRO 46 2HD PRO 46 -5.038 3.638 -3.809 335 2HD PRO 46 3HD PRO 46 -4.760 3.731 -2.043 336 H ILE 47 H ILE 47 -6.846 -0.874 -2.930 337 HA ILE 47 HA ILE 47 -9.139 -0.757 -4.859 338 HB ILE 47 HB ILE 47 -7.889 -2.274 -6.369 339 1HG1 ILE 47 2HG1 ILE 47 -5.314 -1.379 -5.021 340 2HG1 ILE 47 3HG1 ILE 47 -6.080 -2.879 -4.548 341 1HG2 ILE 47 1HG2 ILE 47 -6.667 -0.490 -7.487 342 2HG2 ILE 47 2HG2 ILE 47 -8.162 0.147 -6.795 343 3HG2 ILE 47 3HG2 ILE 47 -6.610 0.462 -5.993 344 1HD1 ILE 47 1HD1 ILE 47 -5.964 -3.729 -6.861 345 2HD1 ILE 47 2HD1 ILE 47 -5.152 -2.228 -7.376 346 3HD1 ILE 47 3HD1 ILE 47 -4.363 -3.315 -6.215 347 H ASN 48 H ASN 48 -10.124 -1.539 -2.787 348 HA ASN 48 HA ASN 48 -10.968 -3.140 -1.380 349 1HB ASN 48 2HB ASN 48 -11.065 -4.475 -4.092 350 2HB ASN 48 3HB ASN 48 -11.586 -5.350 -2.663 351 1HD2 ASN 48 1HD2 ASN 48 -13.674 -5.104 -1.993 352 2HD2 ASN 48 2HD2 ASN 48 -14.703 -3.787 -2.545 353 H ILE 49 H ILE 49 -9.052 -3.166 -0.086 354 HA ILE 49 HA ILE 49 -6.948 -5.025 -0.263 355 HB ILE 49 HB ILE 49 -8.229 -3.775 2.178 356 1HG1 ILE 49 2HG1 ILE 49 -5.634 -3.111 0.693 357 2HG1 ILE 49 3HG1 ILE 49 -7.157 -2.269 0.422 358 1HG2 ILE 49 1HG2 ILE 49 -5.576 -5.290 1.995 359 2HG2 ILE 49 2HG2 ILE 49 -6.137 -4.367 3.404 360 3HG2 ILE 49 3HG2 ILE 49 -7.010 -5.798 2.915 361 1HD1 ILE 49 1HD1 ILE 49 -5.766 -0.961 1.895 362 2HD1 ILE 49 2HD1 ILE 49 -7.206 -1.517 2.776 363 3HD1 ILE 49 3HD1 ILE 49 -5.618 -2.283 3.051 364 H VAL 50 H VAL 50 -10.183 -5.495 1.029 365 HA VAL 50 HA VAL 50 -9.888 -8.113 2.115 366 HB VAL 50 HB VAL 50 -12.437 -6.919 0.980 367 1HG1 VAL 50 1HG1 VAL 50 -11.945 -8.979 3.184 368 2HG1 VAL 50 2HG1 VAL 50 -13.521 -8.265 2.787 369 3HG1 VAL 50 3HG1 VAL 50 -12.709 -9.286 1.609 370 1HG2 VAL 50 1HG2 VAL 50 -11.487 -5.289 2.555 371 2HG2 VAL 50 2HG2 VAL 50 -12.845 -6.108 3.315 372 3HG2 VAL 50 3HG2 VAL 50 -11.187 -6.578 3.745 373 H ALA 51 H ALA 51 -10.062 -7.138 -1.220 374 HA ALA 51 HA ALA 51 -10.618 -9.894 -2.175 375 1HB ALA 51 1HB ALA 51 -10.098 -7.329 -3.735 376 2HB ALA 51 2HB ALA 51 -10.585 -8.901 -4.397 377 3HB ALA 51 3HB ALA 51 -11.696 -8.009 -3.342 378 H VAL 52 H VAL 52 -7.949 -7.441 -2.373 379 HA VAL 52 HA VAL 52 -6.222 -9.184 -3.817 380 HB VAL 52 HB VAL 52 -4.445 -7.695 -3.530 381 1HG1 VAL 52 1HG1 VAL 52 -5.364 -5.571 -4.203 382 2HG1 VAL 52 2HG1 VAL 52 -6.328 -6.873 -4.915 383 3HG1 VAL 52 3HG1 VAL 52 -6.943 -5.971 -3.512 384 1HG2 VAL 52 1HG2 VAL 52 -5.883 -6.559 -1.135 385 2HG2 VAL 52 2HG2 VAL 52 -4.285 -7.317 -1.180 386 3HG2 VAL 52 3HG2 VAL 52 -4.524 -5.741 -1.939 387 H LYS 53 H LYS 53 -6.702 -8.997 -0.353 388 HA LYS 53 HA LYS 53 -4.481 -10.659 0.451 389 1HB LYS 53 2HB LYS 53 -5.619 -10.863 2.543 390 2HB LYS 53 3HB LYS 53 -5.812 -9.198 1.978 391 1HG LYS 53 2HG LYS 53 -8.103 -9.859 1.120 392 2HG LYS 53 3HG LYS 53 -7.884 -11.441 1.860 393 1HD LYS 53 2HD LYS 53 -7.971 -8.786 3.343 394 2HD LYS 53 3HD LYS 53 -9.275 -9.988 3.230 395 1HE LYS 53 2HE LYS 53 -7.683 -11.666 4.298 396 2HE LYS 53 3HE LYS 53 -6.586 -10.306 4.603 397 1HZ LYS 53 1HZ LYS 53 -8.361 -9.261 5.912 398 2HZ LYS 53 2HZ LYS 53 -8.009 -10.733 6.522 399 3HZ LYS 53 3HZ LYS 53 -9.363 -10.526 5.639 400 H ASN 54 H ASN 54 -7.255 -11.516 -1.298 401 HA ASN 54 HA ASN 54 -7.109 -14.411 -0.570 402 1HB ASN 54 2HB ASN 54 -9.467 -12.607 -1.261 403 2HB ASN 54 3HB ASN 54 -9.585 -14.360 -1.263 404 1HD2 ASN 54 1HD2 ASN 54 -10.776 -12.110 0.539 405 2HD2 ASN 54 2HD2 ASN 54 -10.522 -12.862 2.115 406 H ASP 55 H ASP 55 -5.608 -12.934 -2.678 407 HA ASP 55 HA ASP 55 -6.612 -13.583 -5.280 408 1HB ASP 55 2HB ASP 55 -4.592 -12.656 -6.074 409 2HB ASP 55 3HB ASP 55 -5.097 -11.688 -4.703 410 H HIS 56 H HIS 56 -6.651 -15.952 -3.772 411 HA HIS 56 HA HIS 56 -6.029 -18.111 -3.558 412 1HB HIS 56 2HB HIS 56 -7.045 -18.034 -5.791 413 2HB HIS 56 3HB HIS 56 -5.449 -17.852 -6.516 414 HD1 HIS 56 1HD HIS 56 -4.817 -20.147 -7.551 415 HD2 HIS 56 2HD HIS 56 -6.856 -20.417 -3.867 416 HE1 HIS 56 1HE HIS 56 -4.981 -22.633 -7.004 417 H ASP 57 H ASP 57 -4.381 -17.532 -2.132 418 HA ASP 57 HA ASP 57 -1.603 -18.254 -2.943 419 1HB ASP 57 2HB ASP 57 -2.084 -15.755 -2.863 420 2HB ASP 57 3HB ASP 57 -2.345 -15.934 -1.128 421 H PHE 58 H PHE 58 -0.393 -18.021 -0.401 422 HA PHE 58 HA PHE 58 -1.039 -20.514 0.809 423 1HB PHE 58 2HB PHE 58 0.509 -18.121 1.882 424 2HB PHE 58 3HB PHE 58 0.488 -19.714 2.617 425 HD1 PHE 58 2HD PHE 58 1.424 -21.714 1.348 426 HD2 PHE 58 1HD PHE 58 2.032 -17.636 0.071 427 HE1 PHE 58 2HE PHE 58 3.348 -22.432 -0.050 428 HE2 PHE 58 1HE PHE 58 3.941 -18.361 -1.334 429 HZ PHE 58 HZ PHE 58 4.606 -20.759 -1.396 430 H LEU 59 H LEU 59 -2.123 -21.084 2.639 431 HA LEU 59 HA LEU 59 -4.353 -19.499 3.543 432 1HB LEU 59 2HB LEU 59 -4.067 -22.074 3.336 433 2HB LEU 59 3HB LEU 59 -3.205 -21.982 4.860 434 HG LEU 59 HG LEU 59 -5.617 -20.563 5.356 435 1HD1 LEU 59 1HD1 LEU 59 -6.533 -21.394 3.218 436 2HD1 LEU 59 2HD1 LEU 59 -7.401 -22.043 4.621 437 3HD1 LEU 59 3HD1 LEU 59 -6.238 -23.067 3.748 438 1HD2 LEU 59 1HD2 LEU 59 -4.993 -23.495 5.893 439 2HD2 LEU 59 2HD2 LEU 59 -6.224 -22.510 6.722 440 3HD2 LEU 59 3HD2 LEU 59 -4.506 -22.116 6.909 441 H GLU 60 H GLU 60 -1.109 -19.354 4.475 442 HA GLU 60 HA GLU 60 -1.343 -18.953 7.322 443 1HB GLU 60 2HB GLU 60 0.924 -18.250 5.420 444 2HB GLU 60 3HB GLU 60 0.990 -18.191 7.191 445 1HG GLU 60 2HG GLU 60 0.319 -20.654 7.193 446 2HG GLU 60 3HG GLU 60 0.597 -20.656 5.449 447 H LYS 61 H LYS 61 -3.014 -17.474 7.511 448 HA LYS 61 HA LYS 61 -3.117 -14.780 6.738 449 1HB LYS 61 2HB LYS 61 -4.072 -16.192 9.244 450 2HB LYS 61 3HB LYS 61 -4.454 -14.501 8.914 451 1HG LYS 61 2HG LYS 61 -5.675 -15.000 6.939 452 2HG LYS 61 3HG LYS 61 -5.125 -16.676 6.886 453 1HD LYS 61 2HD LYS 61 -6.781 -15.574 9.191 454 2HD LYS 61 3HD LYS 61 -7.508 -16.268 7.732 455 1HE LYS 61 2HE LYS 61 -6.380 -18.405 8.097 456 2HE LYS 61 3HE LYS 61 -5.510 -17.758 9.494 457 1HZ LYS 61 1HZ LYS 61 -7.458 -19.029 10.181 458 2HZ LYS 61 2HZ LYS 61 -8.464 -18.060 9.330 459 3HZ LYS 61 3HZ LYS 61 -7.647 -17.467 10.622 460 H ASP 62 H ASP 62 -0.851 -16.121 8.927 461 HA ASP 62 HA ASP 62 -0.002 -13.833 10.404 462 1HB ASP 62 2HB ASP 62 0.671 -16.219 10.771 463 2HB ASP 62 3HB ASP 62 1.665 -16.136 9.314 464 H LEU 63 H LEU 63 0.672 -14.759 7.028 465 HA LEU 63 HA LEU 63 2.518 -12.495 6.586 466 1HB LEU 63 2HB LEU 63 2.802 -14.689 5.446 467 2HB LEU 63 3HB LEU 63 1.230 -14.489 4.673 468 HG LEU 63 HG LEU 63 2.078 -12.526 3.415 469 1HD1 LEU 63 1HD1 LEU 63 4.510 -12.041 3.385 470 2HD1 LEU 63 2HD1 LEU 63 4.757 -13.178 4.728 471 3HD1 LEU 63 3HD1 LEU 63 3.806 -11.694 4.964 472 1HD2 LEU 63 1HD2 LEU 63 3.869 -14.974 3.179 473 2HD2 LEU 63 2HD2 LEU 63 3.592 -13.742 1.927 474 3HD2 LEU 63 3HD2 LEU 63 2.258 -14.783 2.450 475 H VAL 64 H VAL 64 -0.887 -13.166 6.304 476 HA VAL 64 HA VAL 64 -1.555 -11.005 4.482 477 HB VAL 64 HB VAL 64 -3.335 -12.629 6.329 478 1HG1 VAL 64 1HG1 VAL 64 -5.138 -11.913 4.748 479 2HG1 VAL 64 2HG1 VAL 64 -4.526 -10.618 5.783 480 3HG1 VAL 64 3HG1 VAL 64 -4.001 -10.708 4.086 481 1HG2 VAL 64 1HG2 VAL 64 -2.195 -13.999 4.578 482 2HG2 VAL 64 2HG2 VAL 64 -3.922 -13.845 4.249 483 3HG2 VAL 64 3HG2 VAL 64 -2.760 -12.860 3.338 484 H GLU 65 H GLU 65 -1.418 -11.248 8.031 485 HA GLU 65 HA GLU 65 -2.589 -8.774 8.722 486 1HB GLU 65 2HB GLU 65 -0.505 -10.518 9.994 487 2HB GLU 65 3HB GLU 65 -0.610 -8.837 10.546 488 1HG GLU 65 2HG GLU 65 -3.069 -9.143 10.918 489 2HG GLU 65 3HG GLU 65 -2.873 -10.866 10.559 490 HA PRO 66 HA PRO 66 1.386 -6.249 8.175 491 1HB PRO 66 2HB PRO 66 3.535 -7.222 6.762 492 2HB PRO 66 3HB PRO 66 3.345 -7.328 8.535 493 1HG PRO 66 2HG PRO 66 2.691 -9.444 6.480 494 2HG PRO 66 3HG PRO 66 3.583 -9.635 8.020 495 1HD PRO 66 2HD PRO 66 0.959 -10.262 7.823 496 2HD PRO 66 3HD PRO 66 1.595 -9.463 9.288 497 H LEU 67 H LEU 67 0.669 -8.461 5.444 498 HA LEU 67 HA LEU 67 0.923 -6.628 3.303 499 1HB LEU 67 2HB LEU 67 0.633 -9.025 2.982 500 2HB LEU 67 3HB LEU 67 -0.958 -8.975 3.735 501 HG LEU 67 HG LEU 67 -1.850 -7.640 1.861 502 1HD1 LEU 67 1HD1 LEU 67 0.893 -8.069 0.571 503 2HD1 LEU 67 2HD1 LEU 67 0.244 -6.498 1.148 504 3HD1 LEU 67 3HD1 LEU 67 -0.552 -7.339 -0.200 505 1HD2 LEU 67 1HD2 LEU 67 -1.986 -10.098 1.807 506 2HD2 LEU 67 2HD2 LEU 67 -0.398 -10.181 1.006 507 3HD2 LEU 67 3HD2 LEU 67 -1.782 -9.436 0.174 508 H CYS 68 H CYS 68 -2.056 -7.345 5.203 509 HA CYS 68 HA CYS 68 -3.639 -5.258 4.024 510 1HB CYS 68 2HB CYS 68 -3.857 -6.715 6.696 511 2HB CYS 68 3HB CYS 68 -5.087 -5.608 6.047 512 HG CYS 68 HG CYS 68 -3.885 -8.411 4.766 513 H ARG 69 H ARG 69 -1.618 -5.275 6.974 514 HA ARG 69 HA ARG 69 -2.216 -2.639 7.894 515 1HB ARG 69 2HB ARG 69 0.228 -4.408 8.220 516 2HB ARG 69 3HB ARG 69 0.123 -2.833 8.991 517 1HG ARG 69 2HG ARG 69 -2.056 -4.914 9.395 518 2HG ARG 69 3HG ARG 69 -0.575 -4.918 10.365 519 1HD ARG 69 2HD ARG 69 -1.017 -2.721 11.232 520 2HD ARG 69 3HD ARG 69 -2.371 -2.474 10.109 521 HE ARG 69 HE ARG 69 -2.989 -4.786 11.588 522 1HH1 ARG 69 1HH1 ARG 69 -2.542 -1.408 12.371 523 2HH1 ARG 69 2HH1 ARG 69 -3.723 -1.454 13.655 524 1HH2 ARG 69 1HH2 ARG 69 -4.484 -4.785 13.212 525 2HH2 ARG 69 2HH2 ARG 69 -4.788 -3.329 14.112 526 H ARG 70 H ARG 70 0.584 -3.586 5.840 527 HA ARG 70 HA ARG 70 1.582 -0.894 5.564 528 1HB ARG 70 2HB ARG 70 1.896 -3.252 3.654 529 2HB ARG 70 3HB ARG 70 2.801 -1.748 3.574 530 1HG ARG 70 2HG ARG 70 3.105 -4.020 5.509 531 2HG ARG 70 3HG ARG 70 4.295 -3.183 4.546 532 1HD ARG 70 2HD ARG 70 3.939 -1.157 6.077 533 2HD ARG 70 3HD ARG 70 2.966 -2.200 7.105 534 HE ARG 70 HE ARG 70 5.887 -2.230 6.758 535 1HH1 ARG 70 1HH1 ARG 70 3.222 -4.123 7.976 536 2HH1 ARG 70 2HH1 ARG 70 4.248 -5.038 9.052 537 1HH2 ARG 70 1HH2 ARG 70 7.142 -3.449 8.102 538 2HH2 ARG 70 2HH2 ARG 70 6.418 -4.695 9.069 539 H LEU 71 H LEU 71 -0.666 -2.666 3.480 540 HA LEU 71 HA LEU 71 -1.206 -0.587 1.585 541 1HB LEU 71 2HB LEU 71 -2.670 -3.021 2.591 542 2HB LEU 71 3HB LEU 71 -3.551 -1.844 1.653 543 HG LEU 71 HG LEU 71 -2.615 -3.845 0.417 544 1HD1 LEU 71 1HD1 LEU 71 -3.519 -1.846 -0.698 545 2HD1 LEU 71 2HD1 LEU 71 -2.179 -2.563 -1.608 546 3HD1 LEU 71 3HD1 LEU 71 -1.913 -1.092 -0.654 547 1HD2 LEU 71 1HD2 LEU 71 -0.005 -2.272 0.443 548 2HD2 LEU 71 2HD2 LEU 71 -0.366 -3.748 -0.468 549 3HD2 LEU 71 3HD2 LEU 71 -0.282 -3.806 1.295 550 H ASN 72 H ASN 72 -3.011 -1.372 4.607 551 HA ASN 72 HA ASN 72 -4.772 0.833 4.494 552 1HB ASN 72 2HB ASN 72 -5.075 -1.201 5.876 553 2HB ASN 72 3HB ASN 72 -3.754 -0.688 6.927 554 1HD2 ASN 72 1HD2 ASN 72 -4.479 0.324 8.800 555 2HD2 ASN 72 2HD2 ASN 72 -5.988 1.228 8.875 556 H THR 73 H THR 73 -1.514 0.713 5.995 557 HA THR 73 HA THR 73 -1.521 3.278 7.214 558 HB THR 73 HB THR 73 0.794 1.757 5.952 559 HG1 THR 73 1HG THR 73 1.137 1.219 8.152 560 1HG2 THR 73 1HG2 THR 73 0.825 4.071 7.948 561 2HG2 THR 73 2HG2 THR 73 1.458 4.117 6.288 562 3HG2 THR 73 3HG2 THR 73 2.228 3.079 7.487 563 H LEU 74 H LEU 74 -0.373 2.424 3.905 564 HA LEU 74 HA LEU 74 0.055 5.200 3.168 565 1HB LEU 74 2HB LEU 74 0.289 2.521 1.873 566 2HB LEU 74 3HB LEU 74 0.026 3.887 0.788 567 HG LEU 74 HG LEU 74 1.975 5.053 1.638 568 1HD1 LEU 74 1HD1 LEU 74 2.265 2.684 3.519 569 2HD1 LEU 74 2HD1 LEU 74 2.137 4.409 3.946 570 3HD1 LEU 74 3HD1 LEU 74 3.582 3.806 3.124 571 1HD2 LEU 74 1HD2 LEU 74 2.739 2.165 1.069 572 2HD2 LEU 74 2HD2 LEU 74 3.693 3.631 0.754 573 3HD2 LEU 74 3HD2 LEU 74 2.220 3.320 -0.175 574 H ASN 75 H ASN 75 -2.781 3.112 2.876 575 HA ASN 75 HA ASN 75 -4.312 4.629 1.056 576 1HB ASN 75 2HB ASN 75 -5.064 3.016 3.512 577 2HB ASN 75 3HB ASN 75 -6.273 3.958 2.663 578 1HD2 ASN 75 1HD2 ASN 75 -7.229 1.740 2.486 579 2HD2 ASN 75 2HD2 ASN 75 -6.747 0.844 1.049 580 H LYS 76 H LYS 76 -3.547 5.460 4.423 581 HA LYS 76 HA LYS 76 -5.357 7.626 4.782 582 1HB LYS 76 2HB LYS 76 -3.762 6.531 6.493 583 2HB LYS 76 3HB LYS 76 -2.506 7.608 5.847 584 1HG LYS 76 2HG LYS 76 -4.235 9.518 6.302 585 2HG LYS 76 3HG LYS 76 -5.104 8.327 7.267 586 1HD LYS 76 2HD LYS 76 -2.235 9.289 7.732 587 2HD LYS 76 3HD LYS 76 -3.671 9.841 8.576 588 1HE LYS 76 2HE LYS 76 -2.760 8.386 10.100 589 2HE LYS 76 3HE LYS 76 -4.033 7.419 9.354 590 1HZ LYS 76 1HZ LYS 76 -2.303 6.326 8.011 591 2HZ LYS 76 2HZ LYS 76 -1.908 6.217 9.592 592 3HZ LYS 76 3HZ LYS 76 -1.138 7.295 8.641 593 H CYS 77 H CYS 77 -2.056 7.716 3.417 594 HA CYS 77 HA CYS 77 -2.263 10.539 2.650 595 1HB CYS 77 2HB CYS 77 -0.207 8.387 1.980 596 2HB CYS 77 3HB CYS 77 -0.068 10.105 1.555 597 HG CYS 77 HG CYS 77 1.481 9.657 3.595 598 H ALA 78 H ALA 78 -2.544 7.422 0.902 599 HA ALA 78 HA ALA 78 -2.617 8.539 -1.720 600 1HB ALA 78 1HB ALA 78 -2.056 6.184 -1.198 601 2HB ALA 78 2HB ALA 78 -3.740 5.893 -0.707 602 3HB ALA 78 3HB ALA 78 -3.363 6.300 -2.392 603 H SER 79 H SER 79 -5.289 7.791 0.539 604 HA SER 79 HA SER 79 -7.420 8.360 -1.346 605 1HB SER 79 2HB SER 79 -7.596 6.872 0.673 606 2HB SER 79 3HB SER 79 -7.509 8.313 1.695 607 HG SER 79 HG SER 79 -9.533 7.486 -0.105 608 H MET 80 H MET 80 -6.064 10.210 1.416 609 HA MET 80 HA MET 80 -7.598 12.615 0.854 610 1HB MET 80 2HB MET 80 -5.364 11.941 2.806 611 2HB MET 80 3HB MET 80 -6.031 13.557 2.663 612 1HG MET 80 2HG MET 80 -7.188 12.575 4.440 613 2HG MET 80 3HG MET 80 -8.307 12.695 3.090 614 1HE MET 80 1HE MET 80 -9.355 11.172 5.400 615 2HE MET 80 2HE MET 80 -10.155 11.101 3.810 616 3HE MET 80 3HE MET 80 -9.858 9.604 4.723 617 H LYS 81 H LYS 81 -6.114 14.724 1.050 618 HA LYS 81 HA LYS 81 -4.072 14.816 -1.094 619 1HB LYS 81 2HB LYS 81 -5.171 16.799 -2.070 620 2HB LYS 81 3HB LYS 81 -6.090 15.311 -2.265 621 1HG LYS 81 2HG LYS 81 -7.643 15.933 -0.498 622 2HG LYS 81 3HG LYS 81 -6.700 17.368 -0.093 623 1HD LYS 81 2HD LYS 81 -7.988 16.887 -2.812 624 2HD LYS 81 3HD LYS 81 -8.803 17.733 -1.503 625 1HE LYS 81 2HE LYS 81 -6.137 18.616 -2.700 626 2HE LYS 81 3HE LYS 81 -7.708 19.204 -3.247 627 1HZ LYS 81 1HZ LYS 81 -6.744 20.712 -1.622 628 2HZ LYS 81 2HZ LYS 81 -6.652 19.543 -0.489 629 3HZ LYS 81 3HZ LYS 81 -8.111 20.070 -1.010 Start of MODEL 15 1 1H MET 1 1H MET 1 -27.380 -16.444 8.469 2 2H MET 1 2H MET 1 -27.663 -16.120 6.890 3 3H MET 1 3H MET 1 -28.570 -15.394 8.049 4 HA MET 1 HA MET 1 -26.846 -13.933 7.034 5 1HB MET 1 2HB MET 1 -26.789 -14.421 10.048 6 2HB MET 1 3HB MET 1 -25.946 -13.095 9.253 7 1HG MET 1 2HG MET 1 -27.948 -12.182 10.040 8 2HG MET 1 3HG MET 1 -28.110 -12.302 8.292 9 1HE MET 1 1HE MET 1 -30.479 -11.652 10.282 10 2HE MET 1 2HE MET 1 -30.712 -11.798 8.524 11 3HE MET 1 3HE MET 1 -31.785 -12.673 9.641 12 H HIS 2 H HIS 2 -24.550 -13.294 7.223 13 HA HIS 2 HA HIS 2 -22.650 -15.561 7.637 14 1HB HIS 2 2HB HIS 2 -22.603 -13.595 5.316 15 2HB HIS 2 3HB HIS 2 -21.436 -14.876 5.639 16 HD1 HIS 2 1HD HIS 2 -24.752 -14.292 3.944 17 HD2 HIS 2 2HD HIS 2 -22.385 -17.489 5.350 18 HE1 HIS 2 1HE HIS 2 -25.701 -16.403 2.878 19 H HIS 3 H HIS 3 -21.322 -15.004 9.237 20 HA HIS 3 HA HIS 3 -20.242 -12.229 9.409 21 1HB HIS 3 2HB HIS 3 -22.040 -12.433 11.065 22 2HB HIS 3 3HB HIS 3 -21.305 -13.898 11.719 23 HD1 HIS 3 1HD HIS 3 -19.416 -13.531 13.540 24 HD2 HIS 3 2HD HIS 3 -20.522 -10.085 11.369 25 HE1 HIS 3 1HE HIS 3 -18.182 -11.577 14.619 26 H HIS 4 H HIS 4 -18.146 -12.058 9.864 27 HA HIS 4 HA HIS 4 -16.493 -14.423 10.584 28 1HB HIS 4 2HB HIS 4 -15.979 -12.604 8.192 29 2HB HIS 4 3HB HIS 4 -14.937 -13.907 8.755 30 HD1 HIS 4 1HD HIS 4 -15.866 -16.463 8.277 31 HD2 HIS 4 2HD HIS 4 -18.099 -13.247 6.707 32 HE1 HIS 4 1HE HIS 4 -17.490 -17.474 6.591 33 H HIS 5 H HIS 5 -15.256 -13.836 12.272 34 HA HIS 5 HA HIS 5 -14.841 -11.118 13.114 35 1HB HIS 5 2HB HIS 5 -13.527 -11.994 14.852 36 2HB HIS 5 3HB HIS 5 -14.807 -13.167 14.594 37 HD1 HIS 5 1HD HIS 5 -11.108 -12.947 14.890 38 HD2 HIS 5 2HD HIS 5 -13.954 -15.457 13.041 39 HE1 HIS 5 1HE HIS 5 -9.901 -15.120 14.343 40 H HIS 6 H HIS 6 -12.847 -9.938 13.261 41 HA HIS 6 HA HIS 6 -10.565 -10.687 11.571 42 1HB HIS 6 2HB HIS 6 -12.207 -9.543 10.048 43 2HB HIS 6 3HB HIS 6 -12.152 -8.125 11.089 44 HD1 HIS 6 1HD HIS 6 -9.077 -10.139 9.717 45 HD2 HIS 6 2HD HIS 6 -11.047 -6.415 9.452 46 HE1 HIS 6 1HE HIS 6 -7.559 -8.617 8.349 47 H HIS 7 H HIS 7 -8.669 -9.488 12.074 48 HA HIS 7 HA HIS 7 -8.724 -7.817 14.547 49 1HB HIS 7 2HB HIS 7 -8.278 -10.167 15.138 50 2HB HIS 7 3HB HIS 7 -6.907 -10.199 14.031 51 HD1 HIS 7 1HD HIS 7 -4.795 -8.489 14.759 52 HD2 HIS 7 2HD HIS 7 -7.870 -9.231 17.557 53 HE1 HIS 7 1HE HIS 7 -3.908 -7.713 17.028 54 H SER 8 H SER 8 -8.375 -5.960 13.388 55 HA SER 8 HA SER 8 -6.075 -5.631 11.585 56 1HB SER 8 2HB SER 8 -8.049 -3.580 12.661 57 2HB SER 8 3HB SER 8 -6.885 -3.346 11.341 58 HG SER 8 HG SER 8 -9.008 -3.849 10.590 59 H SER 9 H SER 9 -4.171 -5.887 12.833 60 HA SER 9 HA SER 9 -3.715 -4.373 15.290 61 1HB SER 9 2HB SER 9 -2.528 -6.480 14.751 62 2HB SER 9 3HB SER 9 -1.679 -5.644 13.428 63 HG SER 9 HG SER 9 -0.492 -5.683 15.434 64 H GLY 10 H GLY 10 -2.662 -2.465 15.579 65 1HA GLY 10 2HA GLY 10 -1.551 -0.461 15.107 66 2HA GLY 10 1HA GLY 10 -1.450 -0.893 13.405 67 H LEU 11 H LEU 11 -2.778 1.266 15.490 68 HA LEU 11 HA LEU 11 -4.762 2.205 13.510 69 1HB LEU 11 2HB LEU 11 -5.919 0.712 15.211 70 2HB LEU 11 3HB LEU 11 -5.454 1.862 16.455 71 HG LEU 11 HG LEU 11 -6.764 3.644 15.184 72 1HD1 LEU 11 1HD1 LEU 11 -8.478 2.815 13.565 73 2HD1 LEU 11 2HD1 LEU 11 -7.706 1.215 13.587 74 3HD1 LEU 11 3HD1 LEU 11 -6.840 2.624 12.939 75 1HD2 LEU 11 1HD2 LEU 11 -7.715 2.461 17.124 76 2HD2 LEU 11 2HD2 LEU 11 -8.291 1.155 16.065 77 3HD2 LEU 11 3HD2 LEU 11 -8.965 2.793 15.915 78 H VAL 12 H VAL 12 -3.725 3.997 12.986 79 HA VAL 12 HA VAL 12 -2.630 5.976 12.996 80 HB VAL 12 HB VAL 12 -4.340 6.694 15.382 81 1HG1 VAL 12 1HG1 VAL 12 -4.189 8.972 14.413 82 2HG1 VAL 12 2HG1 VAL 12 -2.587 8.380 14.849 83 3HG1 VAL 12 3HG1 VAL 12 -3.096 8.374 13.147 84 1HG2 VAL 12 1HG2 VAL 12 -5.780 5.798 13.604 85 2HG2 VAL 12 2HG2 VAL 12 -5.936 7.550 13.683 86 3HG2 VAL 12 3HG2 VAL 12 -4.957 6.814 12.396 87 HA PRO 13 HA PRO 13 0.564 4.897 16.171 88 1HB PRO 13 2HB PRO 13 2.717 4.722 14.499 89 2HB PRO 13 3HB PRO 13 1.537 3.393 14.706 90 1HG PRO 13 2HG PRO 13 1.608 5.490 12.516 91 2HG PRO 13 3HG PRO 13 1.454 3.713 12.340 92 1HD PRO 13 2HD PRO 13 -0.703 5.377 12.311 93 2HD PRO 13 3HD PRO 13 -0.796 3.748 13.046 94 H ARG 14 H ARG 14 2.637 6.069 16.662 95 HA ARG 14 HA ARG 14 2.654 8.941 15.823 96 1HB ARG 14 2HB ARG 14 1.351 8.461 17.970 97 2HB ARG 14 3HB ARG 14 2.879 8.045 18.733 98 1HG ARG 14 2HG ARG 14 2.392 10.717 17.344 99 2HG ARG 14 3HG ARG 14 1.876 10.439 18.995 100 1HD ARG 14 2HD ARG 14 4.777 10.224 18.093 101 2HD ARG 14 3HD ARG 14 4.026 11.667 18.768 102 HE ARG 14 HE ARG 14 3.565 9.508 20.570 103 1HH1 ARG 14 1HH1 ARG 14 6.250 11.490 19.520 104 2HH1 ARG 14 2HH1 ARG 14 7.076 11.345 21.047 105 1HH2 ARG 14 1HH2 ARG 14 4.661 9.364 22.494 106 2HH2 ARG 14 2HH2 ARG 14 6.190 10.170 22.681 107 H GLY 15 H GLY 15 4.546 9.667 15.300 108 1HA GLY 15 2HA GLY 15 6.874 10.181 15.752 109 2HA GLY 15 1HA GLY 15 7.092 8.567 16.436 110 H SER 16 H SER 16 6.107 6.863 14.651 111 HA SER 16 HA SER 16 7.956 6.865 12.438 112 1HB SER 16 2HB SER 16 6.834 4.622 12.005 113 2HB SER 16 3HB SER 16 7.626 4.834 13.564 114 HG SER 16 HG SER 16 5.546 3.877 13.767 115 H GLN 17 H GLN 17 6.564 9.083 11.871 116 HA GLN 17 HA GLN 17 4.337 8.642 10.039 117 1HB GLN 17 2HB GLN 17 6.207 11.013 10.433 118 2HB GLN 17 3HB GLN 17 4.971 10.952 9.180 119 1HG GLN 17 2HG GLN 17 3.922 12.110 10.891 120 2HG GLN 17 3HG GLN 17 3.244 10.493 11.003 121 1HE2 GLN 17 1HE2 GLN 17 5.754 12.666 12.446 122 2HE2 GLN 17 2HE2 GLN 17 5.660 11.917 14.031 123 H GLU 18 H GLU 18 7.649 9.765 9.153 124 HA GLU 18 HA GLU 18 7.365 8.864 6.427 125 1HB GLU 18 2HB GLU 18 9.665 9.489 6.127 126 2HB GLU 18 3HB GLU 18 8.819 10.725 7.053 127 1HG GLU 18 2HG GLU 18 9.841 9.803 9.157 128 2HG GLU 18 3HG GLU 18 10.739 8.638 8.180 129 H ILE 19 H ILE 19 8.767 7.319 9.273 130 HA ILE 19 HA ILE 19 10.152 5.229 7.916 131 HB ILE 19 HB ILE 19 9.030 5.165 10.748 132 1HG1 ILE 19 2HG1 ILE 19 11.732 5.502 11.030 133 2HG1 ILE 19 3HG1 ILE 19 11.514 6.362 9.516 134 1HG2 ILE 19 1HG2 ILE 19 9.573 2.902 9.952 135 2HG2 ILE 19 2HG2 ILE 19 11.164 3.459 9.384 136 3HG2 ILE 19 3HG2 ILE 19 10.776 3.430 11.119 137 1HD1 ILE 19 1HD1 ILE 19 10.167 6.919 12.195 138 2HD1 ILE 19 2HD1 ILE 19 11.397 7.904 11.393 139 3HD1 ILE 19 3HD1 ILE 19 9.769 7.802 10.703 140 H GLU 20 H GLU 20 6.744 5.315 9.106 141 HA GLU 20 HA GLU 20 6.065 2.640 8.314 142 1HB GLU 20 2HB GLU 20 4.501 5.205 8.661 143 2HB GLU 20 3HB GLU 20 3.740 3.799 7.965 144 1HG GLU 20 2HG GLU 20 5.154 3.705 10.654 145 2HG GLU 20 3HG GLU 20 3.451 4.130 10.472 146 H ALA 21 H ALA 21 5.917 5.705 6.425 147 HA ALA 21 HA ALA 21 4.778 4.538 4.085 148 1HB ALA 21 1HB ALA 21 6.562 6.997 4.402 149 2HB ALA 21 2HB ALA 21 5.598 6.607 2.967 150 3HB ALA 21 3HB ALA 21 4.787 6.953 4.509 151 H LYS 22 H LYS 22 8.184 5.137 4.914 152 HA LYS 22 HA LYS 22 9.420 3.945 2.601 153 1HB LYS 22 2HB LYS 22 10.379 4.296 5.474 154 2HB LYS 22 3HB LYS 22 11.415 3.739 4.171 155 1HG LYS 22 2HG LYS 22 9.937 6.409 4.090 156 2HG LYS 22 3HG LYS 22 11.534 6.226 4.794 157 1HD LYS 22 2HD LYS 22 10.865 5.579 1.887 158 2HD LYS 22 3HD LYS 22 11.509 7.119 2.468 159 1HE LYS 22 2HE LYS 22 13.478 5.891 3.439 160 2HE LYS 22 3HE LYS 22 12.879 4.404 2.692 161 1HZ LYS 22 1HZ LYS 22 13.094 5.495 0.520 162 2HZ LYS 22 2HZ LYS 22 14.531 5.507 1.293 163 3HZ LYS 22 3HZ LYS 22 13.640 6.870 1.215 164 H GLU 23 H GLU 23 8.859 2.511 5.836 165 HA GLU 23 HA GLU 23 9.733 -0.113 5.155 166 1HB GLU 23 2HB GLU 23 7.848 0.882 7.320 167 2HB GLU 23 3HB GLU 23 8.330 -0.800 7.169 168 1HG GLU 23 2HG GLU 23 10.377 1.433 7.469 169 2HG GLU 23 3HG GLU 23 9.643 0.599 8.833 170 H ALA 24 H ALA 24 6.393 1.269 4.902 171 HA ALA 24 HA ALA 24 5.110 -1.147 4.149 172 1HB ALA 24 1HB ALA 24 3.864 0.891 4.710 173 2HB ALA 24 2HB ALA 24 4.562 1.741 3.318 174 3HB ALA 24 3HB ALA 24 3.446 0.389 3.061 175 H CYS 25 H CYS 25 6.583 1.315 2.032 176 HA CYS 25 HA CYS 25 6.253 -0.049 -0.444 177 1HB CYS 25 2HB CYS 25 6.785 2.366 -0.089 178 2HB CYS 25 3HB CYS 25 8.423 1.919 0.414 179 HG CYS 25 HG CYS 25 8.376 2.889 -2.063 180 H ASP 26 H ASP 26 9.133 -0.001 1.723 181 HA ASP 26 HA ASP 26 10.630 -1.882 0.132 182 1HB ASP 26 2HB ASP 26 10.964 -0.881 2.979 183 2HB ASP 26 3HB ASP 26 12.093 -1.991 2.207 184 H TRP 27 H TRP 27 8.350 -2.436 2.805 185 HA TRP 27 HA TRP 27 9.114 -5.206 3.193 186 1HB TRP 27 2HB TRP 27 8.009 -3.893 4.942 187 2HB TRP 27 3HB TRP 27 6.558 -3.748 3.938 188 HD1 TRP 27 HD1 TRP 27 8.515 -6.186 6.096 189 HE1 TRP 27 1HE TRP 27 7.150 -8.337 6.485 190 HE3 TRP 27 3HE TRP 27 4.551 -5.226 2.982 191 HZ2 TRP 27 2HZ TRP 27 4.796 -9.543 5.443 192 HZ3 TRP 27 3HZ TRP 27 2.771 -6.931 2.665 193 HH2 TRP 27 HH2 TRP 27 2.877 -9.098 3.868 194 H LEU 28 H LEU 28 6.541 -3.623 1.255 195 HA LEU 28 HA LEU 28 5.186 -5.973 0.433 196 1HB LEU 28 2HB LEU 28 5.585 -3.248 -0.810 197 2HB LEU 28 3HB LEU 28 4.629 -4.472 -1.645 198 HG LEU 28 HG LEU 28 4.009 -3.558 1.197 199 1HD1 LEU 28 1HD1 LEU 28 2.253 -2.149 0.195 200 2HD1 LEU 28 2HD1 LEU 28 2.821 -2.577 -1.434 201 3HD1 LEU 28 3HD1 LEU 28 3.861 -1.638 -0.343 202 1HD2 LEU 28 1HD2 LEU 28 1.775 -4.473 0.721 203 2HD2 LEU 28 2HD2 LEU 28 3.004 -5.732 0.561 204 3HD2 LEU 28 3HD2 LEU 28 2.312 -4.985 -0.889 205 H ARG 29 H ARG 29 7.984 -4.422 -1.162 206 HA ARG 29 HA ARG 29 8.294 -6.477 -3.188 207 1HB ARG 29 2HB ARG 29 10.575 -5.628 -3.507 208 2HB ARG 29 3HB ARG 29 9.351 -4.361 -3.556 209 1HG ARG 29 2HG ARG 29 9.927 -3.594 -1.346 210 2HG ARG 29 3HG ARG 29 11.078 -4.922 -1.114 211 1HD ARG 29 2HD ARG 29 11.391 -2.883 -3.336 212 2HD ARG 29 3HD ARG 29 12.009 -2.633 -1.697 213 HE ARG 29 HE ARG 29 12.820 -5.177 -2.937 214 1HH1 ARG 29 1HH1 ARG 29 13.804 -1.868 -2.397 215 2HH1 ARG 29 2HH1 ARG 29 15.495 -2.239 -2.612 216 1HH2 ARG 29 1HH2 ARG 29 14.974 -5.601 -3.157 217 2HH2 ARG 29 2HH2 ARG 29 16.128 -4.310 -3.026 218 H ALA 30 H ALA 30 9.730 -6.242 0.077 219 HA ALA 30 HA ALA 30 11.343 -8.591 -0.133 220 1HB ALA 30 1HB ALA 30 11.656 -6.804 1.556 221 2HB ALA 30 2HB ALA 30 10.137 -7.286 2.346 222 3HB ALA 30 3HB ALA 30 11.511 -8.406 2.305 223 H ALA 31 H ALA 31 7.960 -8.188 0.870 224 HA ALA 31 HA ALA 31 7.431 -10.913 1.607 225 1HB ALA 31 1HB ALA 31 6.077 -8.980 2.317 226 2HB ALA 31 2HB ALA 31 5.589 -8.680 0.636 227 3HB ALA 31 3HB ALA 31 5.075 -10.163 1.457 228 H GLY 32 H GLY 32 8.184 -9.719 -1.468 229 1HA GLY 32 2HA GLY 32 8.344 -11.004 -3.418 230 2HA GLY 32 1HA GLY 32 7.127 -12.132 -2.818 231 H PHE 33 H PHE 33 6.168 -8.823 -2.511 232 HA PHE 33 HA PHE 33 4.584 -8.939 -5.046 233 1HB PHE 33 2HB PHE 33 3.567 -7.907 -2.392 234 2HB PHE 33 3HB PHE 33 2.671 -8.145 -3.892 235 HD1 PHE 33 2HD PHE 33 2.846 -10.738 -4.811 236 HD2 PHE 33 1HD PHE 33 3.130 -9.443 -0.702 237 HE1 PHE 33 2HE PHE 33 2.127 -12.989 -4.044 238 HE2 PHE 33 1HE PHE 33 2.397 -11.686 0.053 239 HZ PHE 33 HZ PHE 33 1.894 -13.463 -1.613 240 HA PRO 34 HA PRO 34 6.901 -4.835 -4.622 241 1HB PRO 34 2HB PRO 34 8.263 -4.868 -7.006 242 2HB PRO 34 3HB PRO 34 8.885 -5.635 -5.518 243 1HG PRO 34 2HG PRO 34 7.390 -6.962 -7.793 244 2HG PRO 34 3HG PRO 34 8.917 -7.487 -7.014 245 1HD PRO 34 2HD PRO 34 6.527 -8.548 -6.299 246 2HD PRO 34 3HD PRO 34 7.788 -8.212 -5.073 247 H GLN 35 H GLN 35 4.938 -6.375 -7.069 248 HA GLN 35 HA GLN 35 4.210 -4.216 -8.708 249 1HB GLN 35 2HB GLN 35 2.229 -5.490 -9.260 250 2HB GLN 35 3HB GLN 35 3.642 -6.537 -9.167 251 1HG GLN 35 2HG GLN 35 2.870 -7.235 -6.832 252 2HG GLN 35 3HG GLN 35 1.400 -6.294 -7.106 253 1HE2 GLN 35 1HE2 GLN 35 -0.334 -7.474 -7.954 254 2HE2 GLN 35 2HE2 GLN 35 -0.112 -8.969 -8.856 255 H TYR 36 H TYR 36 2.892 -5.032 -5.466 256 HA TYR 36 HA TYR 36 0.862 -2.978 -5.503 257 1HB TYR 36 2HB TYR 36 2.267 -4.328 -3.175 258 2HB TYR 36 3HB TYR 36 0.868 -3.270 -3.035 259 HD1 TYR 36 2HD TYR 36 -0.998 -4.134 -5.129 260 HD2 TYR 36 1HD TYR 36 1.568 -6.473 -2.561 261 HE1 TYR 36 2HE TYR 36 -2.509 -6.092 -5.386 262 HE2 TYR 36 1HE TYR 36 0.057 -8.424 -2.827 263 HH TYR 36 HH TYR 36 -1.824 -9.244 -3.837 264 H ALA 37 H ALA 37 4.182 -3.003 -4.110 265 HA ALA 37 HA ALA 37 4.219 -0.355 -3.127 266 1HB ALA 37 1HB ALA 37 6.493 -2.036 -4.279 267 2HB ALA 37 2HB ALA 37 6.681 -0.582 -3.283 268 3HB ALA 37 3HB ALA 37 5.926 -2.025 -2.596 269 H GLN 38 H GLN 38 5.155 -1.506 -6.390 270 HA GLN 38 HA GLN 38 5.882 1.008 -7.514 271 1HB GLN 38 2HB GLN 38 4.877 -1.620 -8.645 272 2HB GLN 38 3HB GLN 38 5.141 -0.246 -9.712 273 1HG GLN 38 2HG GLN 38 7.300 -1.302 -7.834 274 2HG GLN 38 3HG GLN 38 7.090 -1.865 -9.490 275 1HE2 GLN 38 1HE2 GLN 38 8.713 0.504 -7.600 276 2HE2 GLN 38 2HE2 GLN 38 9.111 1.562 -8.950 277 H LEU 39 H LEU 39 2.655 -0.283 -6.953 278 HA LEU 39 HA LEU 39 1.329 1.672 -8.679 279 1HB LEU 39 2HB LEU 39 0.378 -0.496 -6.781 280 2HB LEU 39 3HB LEU 39 -0.744 0.572 -7.576 281 HG LEU 39 HG LEU 39 1.247 -1.161 -9.100 282 1HD1 LEU 39 1HD1 LEU 39 -0.697 -2.629 -9.559 283 2HD1 LEU 39 2HD1 LEU 39 -1.693 -1.650 -8.453 284 3HD1 LEU 39 3HD1 LEU 39 -0.306 -2.576 -7.836 285 1HD2 LEU 39 1HD2 LEU 39 -0.188 -0.775 -11.026 286 2HD2 LEU 39 2HD2 LEU 39 0.410 0.765 -10.413 287 3HD2 LEU 39 3HD2 LEU 39 -1.260 0.261 -10.067 288 H TYR 40 H TYR 40 2.774 2.162 -5.727 289 HA TYR 40 HA TYR 40 0.850 3.762 -4.346 290 1HB TYR 40 2HB TYR 40 2.923 2.989 -3.269 291 2HB TYR 40 3HB TYR 40 3.883 3.938 -4.382 292 HD1 TYR 40 2HD TYR 40 0.805 4.715 -2.293 293 HD2 TYR 40 1HD TYR 40 4.911 5.690 -3.224 294 HE1 TYR 40 2HE TYR 40 0.687 6.689 -0.780 295 HE2 TYR 40 1HE TYR 40 4.794 7.635 -1.683 296 HH TYR 40 HH TYR 40 3.487 8.861 -0.261 297 H GLU 41 H GLU 41 3.555 4.952 -6.400 298 HA GLU 41 HA GLU 41 2.597 7.665 -6.397 299 1HB GLU 41 2HB GLU 41 4.587 6.291 -8.246 300 2HB GLU 41 3HB GLU 41 4.320 8.038 -8.137 301 1HG GLU 41 2HG GLU 41 4.931 7.943 -5.701 302 2HG GLU 41 3HG GLU 41 5.349 6.240 -5.899 303 H ASP 42 H ASP 42 1.801 4.982 -8.452 304 HA ASP 42 HA ASP 42 0.431 6.493 -10.546 305 1HB ASP 42 2HB ASP 42 0.522 3.584 -9.690 306 2HB ASP 42 3HB ASP 42 -0.641 4.134 -10.884 307 H SER 43 H SER 43 -0.316 6.077 -7.293 308 HA SER 43 HA SER 43 -2.101 6.346 -5.981 309 1HB SER 43 2HB SER 43 -2.238 8.422 -7.565 310 2HB SER 43 3HB SER 43 -3.692 7.639 -8.193 311 HG SER 43 HG SER 43 -3.111 8.537 -5.551 312 H GLN 44 H GLN 44 -1.855 3.881 -6.984 313 HA GLN 44 HA GLN 44 -4.629 2.860 -7.466 314 1HB GLN 44 2HB GLN 44 -1.942 2.075 -8.614 315 2HB GLN 44 3HB GLN 44 -3.332 0.998 -8.727 316 1HG GLN 44 2HG GLN 44 -3.371 3.843 -9.810 317 2HG GLN 44 3HG GLN 44 -2.791 2.464 -10.726 318 1HE2 GLN 44 1HE2 GLN 44 -4.480 2.847 -12.329 319 2HE2 GLN 44 2HE2 GLN 44 -6.126 2.345 -11.951 320 H PHE 45 H PHE 45 -2.880 3.147 -4.900 321 HA PHE 45 HA PHE 45 -2.506 0.514 -3.837 322 1HB PHE 45 2HB PHE 45 -2.394 3.263 -2.833 323 2HB PHE 45 3HB PHE 45 -3.146 2.191 -1.670 324 HD1 PHE 45 2HD PHE 45 -0.285 1.714 -4.094 325 HD2 PHE 45 1HD PHE 45 -1.634 1.615 0.001 326 HE1 PHE 45 2HE PHE 45 1.953 0.945 -3.361 327 HE2 PHE 45 1HE PHE 45 0.609 0.796 0.705 328 HZ PHE 45 HZ PHE 45 2.399 0.462 -0.975 329 HA PRO 46 HA PRO 46 -6.806 0.499 -1.888 330 1HB PRO 46 2HB PRO 46 -8.711 2.402 -2.305 331 2HB PRO 46 3HB PRO 46 -7.383 2.575 -1.129 332 1HG PRO 46 2HG PRO 46 -7.514 3.697 -3.938 333 2HG PRO 46 3HG PRO 46 -7.048 4.523 -2.414 334 1HD PRO 46 2HD PRO 46 -5.219 3.487 -4.168 335 2HD PRO 46 3HD PRO 46 -4.940 3.540 -2.402 336 H ILE 47 H ILE 47 -6.594 -1.151 -3.494 337 HA ILE 47 HA ILE 47 -8.899 -1.207 -5.409 338 HB ILE 47 HB ILE 47 -7.558 -2.768 -6.823 339 1HG1 ILE 47 2HG1 ILE 47 -5.082 -1.561 -5.525 340 2HG1 ILE 47 3HG1 ILE 47 -5.693 -3.123 -5.031 341 1HG2 ILE 47 1HG2 ILE 47 -6.514 -0.937 -8.069 342 2HG2 ILE 47 2HG2 ILE 47 -8.063 -0.414 -7.403 343 3HG2 ILE 47 3HG2 ILE 47 -6.550 0.100 -6.631 344 1HD1 ILE 47 1HD1 ILE 47 -5.462 -3.990 -7.333 345 2HD1 ILE 47 2HD1 ILE 47 -4.791 -2.424 -7.853 346 3HD1 ILE 47 3HD1 ILE 47 -3.922 -3.413 -6.667 347 H ASN 48 H ASN 48 -10.032 -1.915 -3.580 348 HA ASN 48 HA ASN 48 -11.005 -3.430 -2.169 349 1HB ASN 48 2HB ASN 48 -10.337 -5.367 -4.421 350 2HB ASN 48 3HB ASN 48 -11.549 -5.603 -3.173 351 1HD2 ASN 48 1HD2 ASN 48 -13.640 -4.844 -3.570 352 2HD2 ASN 48 2HD2 ASN 48 -14.006 -3.838 -4.967 353 H ILE 49 H ILE 49 -8.966 -2.940 -0.854 354 HA ILE 49 HA ILE 49 -6.810 -4.727 -0.606 355 HB ILE 49 HB ILE 49 -8.036 -2.917 1.501 356 1HG1 ILE 49 2HG1 ILE 49 -5.584 -2.542 -0.293 357 2HG1 ILE 49 3HG1 ILE 49 -7.165 -1.858 -0.643 358 1HG2 ILE 49 1HG2 ILE 49 -5.826 -3.086 2.672 359 2HG2 ILE 49 2HG2 ILE 49 -6.660 -4.622 2.641 360 3HG2 ILE 49 3HG2 ILE 49 -5.324 -4.330 1.508 361 1HD1 ILE 49 1HD1 ILE 49 -5.792 -0.143 0.323 362 2HD1 ILE 49 2HD1 ILE 49 -7.083 -0.549 1.471 363 3HD1 ILE 49 3HD1 ILE 49 -5.422 -1.128 1.741 364 H VAL 50 H VAL 50 -9.994 -4.986 0.943 365 HA VAL 50 HA VAL 50 -9.395 -7.276 2.595 366 HB VAL 50 HB VAL 50 -12.076 -6.424 1.432 367 1HG1 VAL 50 1HG1 VAL 50 -12.210 -8.725 2.296 368 2HG1 VAL 50 2HG1 VAL 50 -11.411 -8.229 3.806 369 3HG1 VAL 50 3HG1 VAL 50 -13.030 -7.625 3.400 370 1HG2 VAL 50 1HG2 VAL 50 -10.751 -5.757 4.102 371 2HG2 VAL 50 2HG2 VAL 50 -11.089 -4.612 2.786 372 3HG2 VAL 50 3HG2 VAL 50 -12.425 -5.362 3.657 373 H ALA 51 H ALA 51 -10.350 -7.024 -0.829 374 HA ALA 51 HA ALA 51 -10.982 -9.819 -1.178 375 1HB ALA 51 1HB ALA 51 -10.966 -9.321 -3.551 376 2HB ALA 51 2HB ALA 51 -11.821 -8.037 -2.681 377 3HB ALA 51 3HB ALA 51 -10.162 -7.769 -3.277 378 H VAL 52 H VAL 52 -7.992 -7.911 -1.888 379 HA VAL 52 HA VAL 52 -6.555 -10.138 -2.937 380 HB VAL 52 HB VAL 52 -4.517 -8.905 -2.748 381 1HG1 VAL 52 1HG1 VAL 52 -5.094 -6.925 -4.048 382 2HG1 VAL 52 2HG1 VAL 52 -6.078 -8.307 -4.559 383 3HG1 VAL 52 3HG1 VAL 52 -6.789 -7.035 -3.539 384 1HG2 VAL 52 1HG2 VAL 52 -4.294 -6.733 -1.720 385 2HG2 VAL 52 2HG2 VAL 52 -5.982 -6.762 -1.189 386 3HG2 VAL 52 3HG2 VAL 52 -4.799 -7.888 -0.483 387 H LYS 53 H LYS 53 -7.224 -9.475 0.383 388 HA LYS 53 HA LYS 53 -5.140 -11.032 1.620 389 1HB LYS 53 2HB LYS 53 -8.024 -10.800 2.573 390 2HB LYS 53 3HB LYS 53 -6.609 -11.261 3.519 391 1HG LYS 53 2HG LYS 53 -5.671 -8.909 2.877 392 2HG LYS 53 3HG LYS 53 -7.329 -8.565 2.391 393 1HD LYS 53 2HD LYS 53 -6.308 -9.135 5.185 394 2HD LYS 53 3HD LYS 53 -6.979 -7.654 4.534 395 1HE LYS 53 2HE LYS 53 -8.753 -8.378 5.759 396 2HE LYS 53 3HE LYS 53 -9.176 -9.019 4.170 397 1HZ LYS 53 1HZ LYS 53 -7.847 -10.591 6.328 398 2HZ LYS 53 2HZ LYS 53 -8.382 -11.198 4.907 399 3HZ LYS 53 3HZ LYS 53 -9.443 -10.642 6.007 400 H ASN 54 H ASN 54 -8.077 -12.017 -0.035 401 HA ASN 54 HA ASN 54 -8.095 -14.759 0.946 402 1HB ASN 54 2HB ASN 54 -9.571 -13.353 -1.323 403 2HB ASN 54 3HB ASN 54 -9.774 -15.055 -0.948 404 1HD2 ASN 54 1HD2 ASN 54 -10.430 -11.765 0.264 405 2HD2 ASN 54 2HD2 ASN 54 -11.532 -12.344 1.506 406 H ASP 55 H ASP 55 -6.227 -13.210 -1.516 407 HA ASP 55 HA ASP 55 -5.543 -15.695 -2.947 408 1HB ASP 55 2HB ASP 55 -4.334 -12.904 -3.044 409 2HB ASP 55 3HB ASP 55 -3.827 -14.269 -4.039 410 H HIS 56 H HIS 56 -5.234 -16.691 -0.772 411 HA HIS 56 HA HIS 56 -2.842 -16.220 0.781 412 1HB HIS 56 2HB HIS 56 -4.670 -18.650 0.632 413 2HB HIS 56 3HB HIS 56 -3.441 -18.363 1.859 414 HD1 HIS 56 1HD HIS 56 -7.051 -17.767 1.258 415 HD2 HIS 56 2HD HIS 56 -3.889 -16.115 3.508 416 HE1 HIS 56 1HE HIS 56 -8.133 -16.456 3.160 417 H ASP 57 H ASP 57 -1.546 -16.119 -1.341 418 HA ASP 57 HA ASP 57 -0.736 -18.514 -2.689 419 1HB ASP 57 2HB ASP 57 -0.548 -16.167 -3.542 420 2HB ASP 57 3HB ASP 57 0.774 -15.887 -2.409 421 H PHE 58 H PHE 58 0.363 -17.131 0.297 422 HA PHE 58 HA PHE 58 2.609 -19.095 0.599 423 1HB PHE 58 2HB PHE 58 1.906 -16.503 2.017 424 2HB PHE 58 3HB PHE 58 3.027 -17.659 2.695 425 HD1 PHE 58 2HD PHE 58 2.496 -15.668 -0.478 426 HD2 PHE 58 1HD PHE 58 5.309 -17.494 2.241 427 HE1 PHE 58 2HE PHE 58 4.376 -14.634 -1.720 428 HE2 PHE 58 1HE PHE 58 7.179 -16.445 1.002 429 HZ PHE 58 HZ PHE 58 6.718 -15.010 -0.980 430 H LEU 59 H LEU 59 2.699 -20.386 2.465 431 HA LEU 59 HA LEU 59 0.178 -21.402 3.440 432 1HB LEU 59 2HB LEU 59 1.462 -23.065 4.543 433 2HB LEU 59 3HB LEU 59 2.201 -22.748 2.992 434 HG LEU 59 HG LEU 59 3.734 -21.081 4.507 435 1HD1 LEU 59 1HD1 LEU 59 3.030 -23.388 6.385 436 2HD1 LEU 59 2HD1 LEU 59 2.583 -21.695 6.657 437 3HD1 LEU 59 3HD1 LEU 59 4.286 -22.160 6.647 438 1HD2 LEU 59 1HD2 LEU 59 4.160 -24.085 4.292 439 2HD2 LEU 59 2HD2 LEU 59 5.410 -22.861 4.614 440 3HD2 LEU 59 3HD2 LEU 59 4.575 -22.877 3.054 441 H GLU 60 H GLU 60 2.340 -18.988 4.693 442 HA GLU 60 HA GLU 60 1.356 -19.117 7.466 443 1HB GLU 60 2HB GLU 60 3.295 -17.218 6.082 444 2HB GLU 60 3HB GLU 60 2.873 -17.178 7.800 445 1HG GLU 60 2HG GLU 60 3.698 -19.542 8.015 446 2HG GLU 60 3HG GLU 60 4.242 -19.471 6.337 447 H LYS 61 H LYS 61 -0.784 -18.503 7.601 448 HA LYS 61 HA LYS 61 -1.982 -16.267 6.281 449 1HB LYS 61 2HB LYS 61 -3.051 -18.218 7.718 450 2HB LYS 61 3HB LYS 61 -2.831 -17.091 9.061 451 1HG LYS 61 2HG LYS 61 -4.078 -15.366 7.473 452 2HG LYS 61 3HG LYS 61 -4.487 -16.792 6.524 453 1HD LYS 61 2HD LYS 61 -6.346 -16.432 7.930 454 2HD LYS 61 3HD LYS 61 -5.478 -17.776 8.693 455 1HE LYS 61 2HE LYS 61 -4.376 -16.114 10.241 456 2HE LYS 61 3HE LYS 61 -5.296 -14.820 9.465 457 1HZ LYS 61 1HZ LYS 61 -6.397 -15.548 11.484 458 2HZ LYS 61 2HZ LYS 61 -6.465 -17.096 10.976 459 3HZ LYS 61 3HZ LYS 61 -7.343 -15.946 10.215 460 H ASP 62 H ASP 62 0.174 -16.310 8.999 461 HA ASP 62 HA ASP 62 -0.252 -13.693 10.063 462 1HB ASP 62 2HB ASP 62 2.240 -15.426 9.877 463 2HB ASP 62 3HB ASP 62 2.181 -13.899 10.753 464 H LEU 63 H LEU 63 1.000 -14.534 6.924 465 HA LEU 63 HA LEU 63 2.418 -12.059 6.423 466 1HB LEU 63 2HB LEU 63 2.689 -14.251 5.188 467 2HB LEU 63 3HB LEU 63 1.084 -14.017 4.498 468 HG LEU 63 HG LEU 63 1.893 -11.966 3.326 469 1HD1 LEU 63 1HD1 LEU 63 3.694 -11.306 4.865 470 2HD1 LEU 63 2HD1 LEU 63 4.325 -11.520 3.233 471 3HD1 LEU 63 3HD1 LEU 63 4.611 -12.771 4.463 472 1HD2 LEU 63 1HD2 LEU 63 3.376 -13.128 1.719 473 2HD2 LEU 63 2HD2 LEU 63 1.983 -14.122 2.178 474 3HD2 LEU 63 3HD2 LEU 63 3.587 -14.454 2.878 475 H VAL 64 H VAL 64 -0.956 -12.929 6.489 476 HA VAL 64 HA VAL 64 -1.955 -10.935 4.653 477 HB VAL 64 HB VAL 64 -3.398 -12.512 6.815 478 1HG1 VAL 64 1HG1 VAL 64 -5.420 -12.069 5.435 479 2HG1 VAL 64 2HG1 VAL 64 -4.767 -10.619 6.204 480 3HG1 VAL 64 3HG1 VAL 64 -4.465 -10.909 4.471 481 1HG2 VAL 64 1HG2 VAL 64 -2.344 -13.963 5.065 482 2HG2 VAL 64 2HG2 VAL 64 -4.103 -13.966 4.948 483 3HG2 VAL 64 3HG2 VAL 64 -3.144 -13.000 3.806 484 H GLU 65 H GLU 65 -1.414 -10.927 8.149 485 HA GLU 65 HA GLU 65 -2.733 -8.496 8.851 486 1HB GLU 65 2HB GLU 65 -0.565 -10.180 10.019 487 2HB GLU 65 3HB GLU 65 -0.620 -8.515 10.572 488 1HG GLU 65 2HG GLU 65 -3.212 -10.056 10.542 489 2HG GLU 65 3HG GLU 65 -1.995 -10.494 11.733 490 HA PRO 66 HA PRO 66 1.084 -5.867 7.865 491 1HB PRO 66 2HB PRO 66 3.264 -6.864 6.541 492 2HB PRO 66 3HB PRO 66 3.086 -6.828 8.318 493 1HG PRO 66 2HG PRO 66 2.513 -9.142 6.451 494 2HG PRO 66 3HG PRO 66 3.433 -9.162 7.987 495 1HD PRO 66 2HD PRO 66 0.826 -9.906 7.841 496 2HD PRO 66 3HD PRO 66 1.456 -9.019 9.260 497 H LEU 67 H LEU 67 0.333 -8.370 5.369 498 HA LEU 67 HA LEU 67 0.517 -6.699 3.083 499 1HB LEU 67 2HB LEU 67 0.188 -9.110 2.929 500 2HB LEU 67 3HB LEU 67 -1.386 -8.977 3.711 501 HG LEU 67 HG LEU 67 -2.271 -7.713 1.770 502 1HD1 LEU 67 1HD1 LEU 67 -0.209 -6.685 0.895 503 2HD1 LEU 67 2HD1 LEU 67 -0.985 -7.670 -0.347 504 3HD1 LEU 67 3HD1 LEU 67 0.444 -8.294 0.505 505 1HD2 LEU 67 1HD2 LEU 67 -2.345 -9.607 0.217 506 2HD2 LEU 67 2HD2 LEU 67 -2.500 -10.162 1.891 507 3HD2 LEU 67 3HD2 LEU 67 -0.955 -10.355 1.035 508 H CYS 68 H CYS 68 -2.352 -7.232 5.185 509 HA CYS 68 HA CYS 68 -3.996 -5.204 3.980 510 1HB CYS 68 2HB CYS 68 -4.768 -7.085 5.451 511 2HB CYS 68 3HB CYS 68 -4.030 -6.272 6.841 512 HG CYS 68 HG CYS 68 -6.624 -5.861 6.907 513 H ARG 69 H ARG 69 -1.975 -5.105 6.926 514 HA ARG 69 HA ARG 69 -2.527 -2.463 7.714 515 1HB ARG 69 2HB ARG 69 -1.460 -4.298 9.069 516 2HB ARG 69 3HB ARG 69 0.057 -3.981 8.210 517 1HG ARG 69 2HG ARG 69 -0.040 -1.609 9.068 518 2HG ARG 69 3HG ARG 69 -1.481 -2.048 10.001 519 1HD ARG 69 2HD ARG 69 -0.205 -3.780 11.206 520 2HD ARG 69 3HD ARG 69 1.238 -3.430 10.254 521 HE ARG 69 HE ARG 69 0.305 -2.012 12.581 522 1HH1 ARG 69 1HH1 ARG 69 2.081 -1.397 9.604 523 2HH1 ARG 69 2HH1 ARG 69 2.844 0.034 10.298 524 1HH2 ARG 69 1HH2 ARG 69 1.433 -0.177 13.356 525 2HH2 ARG 69 2HH2 ARG 69 2.528 0.606 12.210 526 H ARG 70 H ARG 70 0.370 -3.497 5.826 527 HA ARG 70 HA ARG 70 1.463 -0.829 5.607 528 1HB ARG 70 2HB ARG 70 1.878 -3.256 3.803 529 2HB ARG 70 3HB ARG 70 2.818 -1.780 3.731 530 1HG ARG 70 2HG ARG 70 2.798 -3.837 5.958 531 2HG ARG 70 3HG ARG 70 4.112 -3.376 4.889 532 1HD ARG 70 2HD ARG 70 4.045 -1.070 6.033 533 2HD ARG 70 3HD ARG 70 2.935 -1.796 7.206 534 HE ARG 70 HE ARG 70 5.137 -3.532 7.013 535 1HH1 ARG 70 1HH1 ARG 70 4.732 -0.206 8.282 536 2HH1 ARG 70 2HH1 ARG 70 6.154 -0.412 9.236 537 1HH2 ARG 70 1HH2 ARG 70 6.877 -3.610 8.302 538 2HH2 ARG 70 2HH2 ARG 70 7.320 -2.238 9.264 539 H LEU 71 H LEU 71 -0.767 -2.562 3.462 540 HA LEU 71 HA LEU 71 -0.989 -0.463 1.489 541 1HB LEU 71 2HB LEU 71 -2.935 -2.648 2.301 542 2HB LEU 71 3HB LEU 71 -3.179 -1.553 0.944 543 HG LEU 71 HG LEU 71 -0.831 -3.487 1.177 544 1HD1 LEU 71 1HD1 LEU 71 -2.998 -4.649 0.880 545 2HD1 LEU 71 2HD1 LEU 71 -1.989 -4.775 -0.565 546 3HD1 LEU 71 3HD1 LEU 71 -3.350 -3.631 -0.538 547 1HD2 LEU 71 1HD2 LEU 71 -1.748 -1.698 -1.107 548 2HD2 LEU 71 2HD2 LEU 71 -0.563 -3.014 -1.252 549 3HD2 LEU 71 3HD2 LEU 71 -0.201 -1.631 -0.228 550 H ASN 72 H ASN 72 -3.031 -1.178 4.364 551 HA ASN 72 HA ASN 72 -4.720 1.078 4.192 552 1HB ASN 72 2HB ASN 72 -5.223 -0.801 5.632 553 2HB ASN 72 3HB ASN 72 -3.759 -0.546 6.579 554 1HD2 ASN 72 1HD2 ASN 72 -6.894 1.043 5.726 555 2HD2 ASN 72 2HD2 ASN 72 -6.942 1.941 7.238 556 H THR 73 H THR 73 -1.545 0.885 5.908 557 HA THR 73 HA THR 73 -1.663 3.446 7.064 558 HB THR 73 HB THR 73 0.849 1.997 6.151 559 HG1 THR 73 1HG THR 73 0.826 1.231 8.265 560 1HG2 THR 73 1HG2 THR 73 1.535 4.187 6.777 561 2HG2 THR 73 2HG2 THR 73 1.699 3.244 8.273 562 3HG2 THR 73 3HG2 THR 73 0.307 4.307 8.059 563 H LEU 74 H LEU 74 -0.275 2.608 3.837 564 HA LEU 74 HA LEU 74 0.257 5.425 3.221 565 1HB LEU 74 2HB LEU 74 0.287 2.860 1.628 566 2HB LEU 74 3HB LEU 74 0.479 4.417 0.832 567 HG LEU 74 HG LEU 74 2.309 3.387 3.050 568 1HD1 LEU 74 1HD1 LEU 74 2.614 2.074 1.027 569 2HD1 LEU 74 2HD1 LEU 74 3.982 3.167 1.221 570 3HD1 LEU 74 3HD1 LEU 74 2.715 3.549 0.036 571 1HD2 LEU 74 1HD2 LEU 74 2.391 5.793 3.076 572 2HD2 LEU 74 2HD2 LEU 74 2.365 5.877 1.302 573 3HD2 LEU 74 3HD2 LEU 74 3.793 5.267 2.139 574 H ASN 75 H ASN 75 -2.558 3.328 2.780 575 HA ASN 75 HA ASN 75 -3.973 4.908 0.913 576 1HB ASN 75 2HB ASN 75 -4.524 2.586 1.789 577 2HB ASN 75 3HB ASN 75 -5.210 3.362 3.220 578 1HD2 ASN 75 1HD2 ASN 75 -7.025 1.921 2.255 579 2HD2 ASN 75 2HD2 ASN 75 -8.069 2.764 1.113 580 H LYS 76 H LYS 76 -3.649 5.382 4.414 581 HA LYS 76 HA LYS 76 -5.445 7.543 4.856 582 1HB LYS 76 2HB LYS 76 -4.179 6.326 6.615 583 2HB LYS 76 3HB LYS 76 -2.688 7.056 6.049 584 1HG LYS 76 2HG LYS 76 -2.952 8.774 7.404 585 2HG LYS 76 3HG LYS 76 -4.432 9.256 6.602 586 1HD LYS 76 2HD LYS 76 -4.268 7.218 8.863 587 2HD LYS 76 3HD LYS 76 -4.618 8.927 9.095 588 1HE LYS 76 2HE LYS 76 -6.319 7.056 7.383 589 2HE LYS 76 3HE LYS 76 -6.631 7.405 9.084 590 1HZ LYS 76 1HZ LYS 76 -6.887 9.756 8.507 591 2HZ LYS 76 2HZ LYS 76 -7.950 8.848 7.670 592 3HZ LYS 76 3HZ LYS 76 -6.629 9.444 6.923 593 H CYS 77 H CYS 77 -2.153 7.652 3.517 594 HA CYS 77 HA CYS 77 -2.268 10.578 3.108 595 1HB CYS 77 2HB CYS 77 -0.132 8.503 2.454 596 2HB CYS 77 3HB CYS 77 0.038 10.256 2.253 597 HG CYS 77 HG CYS 77 1.343 9.589 4.404 598 H ALA 78 H ALA 78 -2.883 7.715 1.176 599 HA ALA 78 HA ALA 78 -2.558 8.870 -1.420 600 1HB ALA 78 1HB ALA 78 -2.671 6.425 -0.916 601 2HB ALA 78 2HB ALA 78 -4.409 6.604 -0.561 602 3HB ALA 78 3HB ALA 78 -3.797 6.919 -2.194 603 H SER 79 H SER 79 -5.212 9.081 0.860 604 HA SER 79 HA SER 79 -7.228 10.131 0.888 605 1HB SER 79 2HB SER 79 -5.811 12.053 -0.987 606 2HB SER 79 3HB SER 79 -7.269 12.407 -0.042 607 HG SER 79 HG SER 79 -5.347 13.114 1.007 608 H MET 80 H MET 80 -7.006 8.077 -1.222 609 HA MET 80 HA MET 80 -8.770 9.040 -3.399 610 1HB MET 80 2HB MET 80 -6.945 6.703 -2.946 611 2HB MET 80 3HB MET 80 -8.290 6.468 -4.069 612 1HG MET 80 2HG MET 80 -6.350 8.792 -4.237 613 2HG MET 80 3HG MET 80 -6.140 7.275 -5.113 614 1HE MET 80 1HE MET 80 -5.953 9.726 -6.782 615 2HE MET 80 2HE MET 80 -7.436 10.471 -7.422 616 3HE MET 80 3HE MET 80 -6.964 10.745 -5.731 617 H LYS 81 H LYS 81 -9.203 7.235 -0.480 618 HA LYS 81 HA LYS 81 -11.744 5.974 -1.266 619 1HB LYS 81 2HB LYS 81 -10.290 4.958 0.436 620 2HB LYS 81 3HB LYS 81 -10.493 6.372 1.484 621 1HG LYS 81 2HG LYS 81 -12.891 5.952 1.684 622 2HG LYS 81 3HG LYS 81 -12.814 4.639 0.504 623 1HD LYS 81 2HD LYS 81 -11.357 4.614 3.186 624 2HD LYS 81 3HD LYS 81 -12.973 3.940 2.920 625 1HE LYS 81 2HE LYS 81 -12.047 2.438 1.151 626 2HE LYS 81 3HE LYS 81 -10.427 3.051 1.497 627 1HZ LYS 81 1HZ LYS 81 -12.166 1.627 3.442 628 2HZ LYS 81 2HZ LYS 81 -10.670 2.190 3.774 629 3HZ LYS 81 3HZ LYS 81 -10.871 0.980 2.694 Start of MODEL 16 1 1H MET 1 1H MET 1 0.260 16.211 19.323 2 2H MET 1 2H MET 1 -0.309 14.702 19.601 3 3H MET 1 3H MET 1 -1.354 15.954 19.434 4 HA MET 1 HA MET 1 0.362 14.796 17.330 5 1HB MET 1 2HB MET 1 -2.657 14.762 17.729 6 2HB MET 1 3HB MET 1 -1.894 14.488 16.166 7 1HG MET 1 2HG MET 1 -2.348 12.361 17.096 8 2HG MET 1 3HG MET 1 -0.610 12.602 17.072 9 1HE MET 1 1HE MET 1 -3.316 12.258 20.821 10 2HE MET 1 2HE MET 1 -3.530 13.610 19.688 11 3HE MET 1 3HE MET 1 -3.804 11.939 19.142 12 H HIS 2 H HIS 2 1.408 16.561 16.522 13 HA HIS 2 HA HIS 2 -0.214 18.376 14.896 14 1HB HIS 2 2HB HIS 2 -0.034 19.616 17.030 15 2HB HIS 2 3HB HIS 2 1.723 19.487 16.969 16 HD1 HIS 2 1HD HIS 2 -1.190 21.187 15.054 17 HD2 HIS 2 2HD HIS 2 3.014 21.224 15.407 18 HE1 HIS 2 1HE HIS 2 -0.379 23.184 13.698 19 H HIS 3 H HIS 3 0.630 17.788 12.987 20 HA HIS 3 HA HIS 3 3.392 18.499 12.359 21 1HB HIS 3 2HB HIS 3 3.913 16.314 11.296 22 2HB HIS 3 3HB HIS 3 3.754 16.209 13.036 23 HD1 HIS 3 1HD HIS 3 2.226 14.280 13.869 24 HD2 HIS 3 2HD HIS 3 1.525 15.464 9.880 25 HE1 HIS 3 1HE HIS 3 0.493 12.662 12.935 26 H HIS 4 H HIS 4 3.797 18.221 9.962 27 HA HIS 4 HA HIS 4 1.370 18.386 8.248 28 1HB HIS 4 2HB HIS 4 3.707 20.338 8.179 29 2HB HIS 4 3HB HIS 4 2.362 20.293 7.043 30 HD1 HIS 4 1HD HIS 4 3.344 21.906 10.253 31 HD2 HIS 4 2HD HIS 4 -0.187 20.789 8.232 32 HE1 HIS 4 1HE HIS 4 1.452 23.214 11.348 33 H HIS 5 H HIS 5 1.566 17.202 6.417 34 HA HIS 5 HA HIS 5 3.988 15.693 5.803 35 1HB HIS 5 2HB HIS 5 1.310 16.053 4.408 36 2HB HIS 5 3HB HIS 5 2.622 15.119 3.702 37 HD1 HIS 5 1HD HIS 5 3.468 12.908 5.183 38 HD2 HIS 5 2HD HIS 5 -0.191 14.762 6.182 39 HE1 HIS 5 1HE HIS 5 2.185 11.233 6.604 40 H HIS 6 H HIS 6 5.066 15.754 3.742 41 HA HIS 6 HA HIS 6 6.551 16.764 2.385 42 1HB HIS 6 2HB HIS 6 4.313 16.715 1.158 43 2HB HIS 6 3HB HIS 6 4.227 18.451 1.429 44 HD1 HIS 6 1HD HIS 6 5.909 19.939 -0.089 45 HD2 HIS 6 2HD HIS 6 6.208 15.759 -0.523 46 HE1 HIS 6 1HE HIS 6 7.325 19.539 -2.180 47 H HIS 7 H HIS 7 6.586 17.905 4.966 48 HA HIS 7 HA HIS 7 7.178 20.785 4.558 49 1HB HIS 7 2HB HIS 7 5.538 19.941 6.294 50 2HB HIS 7 3HB HIS 7 6.914 19.274 7.172 51 HD1 HIS 7 1HD HIS 7 5.990 22.793 5.698 52 HD2 HIS 7 2HD HIS 7 7.749 20.895 9.031 53 HE1 HIS 7 1HE HIS 7 6.615 24.646 7.326 54 H SER 8 H SER 8 8.989 18.294 3.982 55 HA SER 8 HA SER 8 11.411 18.810 5.563 56 1HB SER 8 2HB SER 8 10.966 17.117 3.073 57 2HB SER 8 3HB SER 8 12.482 17.226 3.987 58 HG SER 8 HG SER 8 9.968 16.272 4.936 59 H SER 9 H SER 9 11.034 21.198 4.964 60 HA SER 9 HA SER 9 12.235 22.169 2.476 61 1HB SER 9 2HB SER 9 11.979 24.387 3.570 62 2HB SER 9 3HB SER 9 10.487 23.447 3.518 63 HG SER 9 HG SER 9 12.203 23.856 5.753 64 H GLY 10 H GLY 10 13.977 20.382 3.464 65 1HA GLY 10 2HA GLY 10 16.529 21.447 3.822 66 2HA GLY 10 1HA GLY 10 15.836 21.352 5.445 67 H LEU 11 H LEU 11 17.723 19.905 5.638 68 HA LEU 11 HA LEU 11 17.150 17.072 4.906 69 1HB LEU 11 2HB LEU 11 19.537 16.750 4.443 70 2HB LEU 11 3HB LEU 11 18.719 17.767 3.287 71 HG LEU 11 HG LEU 11 20.274 19.086 5.535 72 1HD1 LEU 11 1HD1 LEU 11 21.467 17.973 2.958 73 2HD1 LEU 11 2HD1 LEU 11 21.807 17.403 4.609 74 3HD1 LEU 11 3HD1 LEU 11 22.300 19.030 4.123 75 1HD2 LEU 11 1HD2 LEU 11 20.742 20.765 3.725 76 2HD2 LEU 11 2HD2 LEU 11 19.017 20.593 4.025 77 3HD2 LEU 11 3HD2 LEU 11 19.742 19.811 2.609 78 H VAL 12 H VAL 12 16.379 18.113 7.275 79 HA VAL 12 HA VAL 12 17.886 16.404 9.156 80 HB VAL 12 HB VAL 12 18.949 18.432 9.559 81 1HG1 VAL 12 1HG1 VAL 12 17.331 20.090 8.722 82 2HG1 VAL 12 2HG1 VAL 12 16.322 19.834 10.162 83 3HG1 VAL 12 3HG1 VAL 12 17.958 20.488 10.325 84 1HG2 VAL 12 1HG2 VAL 12 16.994 17.984 11.839 85 2HG2 VAL 12 2HG2 VAL 12 18.423 16.985 11.491 86 3HG2 VAL 12 3HG2 VAL 12 18.618 18.690 11.926 87 HA PRO 13 HA PRO 13 13.406 15.636 9.858 88 1HB PRO 13 2HB PRO 13 13.567 12.931 10.165 89 2HB PRO 13 3HB PRO 13 13.493 13.717 8.561 90 1HG PRO 13 2HG PRO 13 15.949 12.740 10.044 91 2HG PRO 13 3HG PRO 13 15.500 12.452 8.333 92 1HD PRO 13 2HD PRO 13 17.240 14.415 9.103 93 2HD PRO 13 3HD PRO 13 16.146 14.624 7.704 94 H ARG 14 H ARG 14 12.444 14.718 11.825 95 HA ARG 14 HA ARG 14 14.268 14.423 14.173 96 1HB ARG 14 2HB ARG 14 13.412 16.827 13.964 97 2HB ARG 14 3HB ARG 14 11.796 16.204 14.262 98 1HG ARG 14 2HG ARG 14 12.591 16.974 16.360 99 2HG ARG 14 3HG ARG 14 12.710 15.214 16.454 100 1HD ARG 14 2HD ARG 14 15.160 15.425 15.826 101 2HD ARG 14 3HD ARG 14 14.964 17.186 15.866 102 HE ARG 14 HE ARG 14 14.074 16.027 18.347 103 1HH1 ARG 14 1HH1 ARG 14 17.064 16.752 16.687 104 2HH1 ARG 14 2HH1 ARG 14 17.985 16.808 18.166 105 1HH2 ARG 14 1HH2 ARG 14 15.293 16.089 20.196 106 2HH2 ARG 14 2HH2 ARG 14 16.994 16.437 20.102 107 H GLY 15 H GLY 15 10.746 14.403 13.555 108 1HA GLY 15 2HA GLY 15 10.376 11.943 15.144 109 2HA GLY 15 1HA GLY 15 9.131 12.828 14.267 110 H SER 16 H SER 16 9.507 9.991 14.284 111 HA SER 16 HA SER 16 10.709 9.134 11.779 112 1HB SER 16 2HB SER 16 9.949 6.877 12.603 113 2HB SER 16 3HB SER 16 11.011 7.769 13.695 114 HG SER 16 HG SER 16 9.209 6.847 14.790 115 H GLN 17 H GLN 17 8.214 10.897 11.692 116 HA GLN 17 HA GLN 17 5.880 9.460 11.099 117 1HB GLN 17 2HB GLN 17 6.755 12.141 9.946 118 2HB GLN 17 3HB GLN 17 5.107 11.520 9.957 119 1HG GLN 17 2HG GLN 17 6.770 12.251 12.408 120 2HG GLN 17 3HG GLN 17 5.429 13.166 11.739 121 1HE2 GLN 17 1HE2 GLN 17 6.187 10.956 14.197 122 2HE2 GLN 17 2HE2 GLN 17 4.555 10.340 14.420 123 H GLU 18 H GLU 18 8.486 10.259 8.812 124 HA GLU 18 HA GLU 18 7.050 9.193 6.477 125 1HB GLU 18 2HB GLU 18 9.982 9.914 6.874 126 2HB GLU 18 3HB GLU 18 9.227 9.481 5.334 127 1HG GLU 18 2HG GLU 18 7.663 11.422 5.585 128 2HG GLU 18 3HG GLU 18 8.545 11.917 7.033 129 H ILE 19 H ILE 19 8.878 7.707 9.017 130 HA ILE 19 HA ILE 19 10.069 5.579 7.474 131 HB ILE 19 HB ILE 19 9.545 5.659 10.458 132 1HG1 ILE 19 2HG1 ILE 19 10.875 7.614 9.879 133 2HG1 ILE 19 3HG1 ILE 19 11.878 6.434 10.691 134 1HG2 ILE 19 1HG2 ILE 19 11.512 4.096 10.548 135 2HG2 ILE 19 2HG2 ILE 19 10.065 3.410 9.812 136 3HG2 ILE 19 3HG2 ILE 19 11.409 3.938 8.780 137 1HD1 ILE 19 1HD1 ILE 19 12.851 5.760 8.480 138 2HD1 ILE 19 2HD1 ILE 19 11.847 7.004 7.692 139 3HD1 ILE 19 3HD1 ILE 19 13.094 7.473 8.855 140 H GLU 20 H GLU 20 6.929 5.991 8.952 141 HA GLU 20 HA GLU 20 5.853 3.350 8.738 142 1HB GLU 20 2HB GLU 20 4.708 6.144 8.522 143 2HB GLU 20 3HB GLU 20 3.742 4.792 7.969 144 1HG GLU 20 2HG GLU 20 3.077 5.191 10.183 145 2HG GLU 20 3HG GLU 20 3.969 3.679 10.174 146 H ALA 21 H ALA 21 6.133 5.892 6.216 147 HA ALA 21 HA ALA 21 5.053 4.178 4.153 148 1HB ALA 21 1HB ALA 21 4.761 6.626 4.107 149 2HB ALA 21 2HB ALA 21 6.521 6.845 3.951 150 3HB ALA 21 3HB ALA 21 5.601 6.058 2.652 151 H LYS 22 H LYS 22 8.353 5.107 5.102 152 HA LYS 22 HA LYS 22 9.828 3.787 3.027 153 1HB LYS 22 2HB LYS 22 10.486 4.112 5.986 154 2HB LYS 22 3HB LYS 22 11.605 3.446 4.823 155 1HG LYS 22 2HG LYS 22 10.465 6.265 4.615 156 2HG LYS 22 3HG LYS 22 11.993 5.834 5.387 157 1HD LYS 22 2HD LYS 22 12.693 4.766 3.151 158 2HD LYS 22 3HD LYS 22 11.250 5.506 2.453 159 1HE LYS 22 2HE LYS 22 13.054 6.967 1.969 160 2HE LYS 22 3HE LYS 22 12.088 7.756 3.218 161 1HZ LYS 22 1HZ LYS 22 14.486 7.868 3.684 162 2HZ LYS 22 2HZ LYS 22 14.608 6.244 3.703 163 3HZ LYS 22 3HZ LYS 22 13.745 7.014 4.858 164 H GLU 23 H GLU 23 8.868 2.429 6.201 165 HA GLU 23 HA GLU 23 9.748 -0.229 5.580 166 1HB GLU 23 2HB GLU 23 7.740 0.766 7.639 167 2HB GLU 23 3HB GLU 23 8.246 -0.920 7.476 168 1HG GLU 23 2HG GLU 23 10.657 -0.130 7.710 169 2HG GLU 23 3HG GLU 23 10.022 1.439 8.196 170 H ALA 24 H ALA 24 6.508 1.279 5.082 171 HA ALA 24 HA ALA 24 5.176 -1.079 4.240 172 1HB ALA 24 1HB ALA 24 3.632 0.470 3.084 173 2HB ALA 24 2HB ALA 24 4.020 1.042 4.719 174 3HB ALA 24 3HB ALA 24 4.794 1.793 3.306 175 H CYS 25 H CYS 25 6.793 1.318 2.076 176 HA CYS 25 HA CYS 25 6.520 -0.277 -0.277 177 1HB CYS 25 2HB CYS 25 8.455 1.943 0.488 178 2HB CYS 25 3HB CYS 25 8.441 1.176 -1.114 179 HG CYS 25 HG CYS 25 7.165 3.452 -1.282 180 H ASP 26 H ASP 26 9.338 -0.046 1.964 181 HA ASP 26 HA ASP 26 11.038 -1.840 0.568 182 1HB ASP 26 2HB ASP 26 11.754 -0.277 2.339 183 2HB ASP 26 3HB ASP 26 10.878 -1.223 3.545 184 H TRP 27 H TRP 27 8.759 -2.554 3.268 185 HA TRP 27 HA TRP 27 9.340 -5.335 3.454 186 1HB TRP 27 2HB TRP 27 8.198 -4.033 5.206 187 2HB TRP 27 3HB TRP 27 6.786 -3.847 4.157 188 HD1 TRP 27 HD1 TRP 27 8.626 -6.378 6.313 189 HE1 TRP 27 1HE TRP 27 7.215 -8.518 6.584 190 HE3 TRP 27 3HE TRP 27 4.771 -5.238 3.123 191 HZ2 TRP 27 2HZ TRP 27 4.887 -9.656 5.405 192 HZ3 TRP 27 3HZ TRP 27 2.965 -6.900 2.700 193 HH2 TRP 27 HH2 TRP 27 3.022 -9.120 3.803 194 H LEU 28 H LEU 28 6.880 -3.627 1.465 195 HA LEU 28 HA LEU 28 5.571 -5.961 0.487 196 1HB LEU 28 2HB LEU 28 5.944 -3.162 -0.604 197 2HB LEU 28 3HB LEU 28 5.053 -4.369 -1.523 198 HG LEU 28 HG LEU 28 4.306 -3.625 1.338 199 1HD1 LEU 28 1HD1 LEU 28 3.178 -2.547 -1.277 200 2HD1 LEU 28 2HD1 LEU 28 4.131 -1.631 -0.093 201 3HD1 LEU 28 3HD1 LEU 28 2.528 -2.237 0.346 202 1HD2 LEU 28 1HD2 LEU 28 2.797 -5.057 -0.887 203 2HD2 LEU 28 2HD2 LEU 28 2.111 -4.590 0.683 204 3HD2 LEU 28 3HD2 LEU 28 3.406 -5.791 0.604 205 H ARG 29 H ARG 29 8.575 -4.461 -0.667 206 HA ARG 29 HA ARG 29 8.873 -6.248 -2.963 207 1HB ARG 29 2HB ARG 29 11.253 -5.040 -1.526 208 2HB ARG 29 3HB ARG 29 11.063 -5.480 -3.223 209 1HG ARG 29 2HG ARG 29 9.240 -3.576 -3.254 210 2HG ARG 29 3HG ARG 29 10.002 -3.095 -1.725 211 1HD ARG 29 2HD ARG 29 12.237 -3.202 -3.065 212 2HD ARG 29 3HD ARG 29 11.213 -3.114 -4.498 213 HE ARG 29 HE ARG 29 11.946 -0.979 -2.719 214 1HH1 ARG 29 1HH1 ARG 29 9.183 -1.886 -4.657 215 2HH1 ARG 29 2HH1 ARG 29 8.561 -0.255 -4.677 216 1HH2 ARG 29 1HH2 ARG 29 11.161 1.055 -2.851 217 2HH2 ARG 29 2HH2 ARG 29 9.702 1.381 -3.732 218 H ALA 30 H ALA 30 10.193 -6.342 0.345 219 HA ALA 30 HA ALA 30 11.573 -8.824 0.130 220 1HB ALA 30 1HB ALA 30 10.336 -7.511 2.590 221 2HB ALA 30 2HB ALA 30 11.602 -8.756 2.584 222 3HB ALA 30 3HB ALA 30 11.940 -7.149 1.912 223 H ALA 31 H ALA 31 8.177 -8.189 0.977 224 HA ALA 31 HA ALA 31 7.387 -10.880 1.563 225 1HB ALA 31 1HB ALA 31 5.782 -8.502 0.519 226 2HB ALA 31 2HB ALA 31 5.116 -9.951 1.294 227 3HB ALA 31 3HB ALA 31 6.144 -8.847 2.225 228 H GLY 32 H GLY 32 8.378 -9.602 -1.438 229 1HA GLY 32 2HA GLY 32 8.546 -10.716 -3.465 230 2HA GLY 32 1HA GLY 32 7.380 -11.931 -2.935 231 H PHE 33 H PHE 33 6.308 -8.662 -2.486 232 HA PHE 33 HA PHE 33 4.674 -8.757 -4.990 233 1HB PHE 33 2HB PHE 33 3.663 -7.845 -2.294 234 2HB PHE 33 3HB PHE 33 2.745 -8.078 -3.781 235 HD1 PHE 33 2HD PHE 33 3.389 -10.775 -4.697 236 HD2 PHE 33 1HD PHE 33 2.839 -9.282 -0.682 237 HE1 PHE 33 2HE PHE 33 2.724 -13.040 -3.938 238 HE2 PHE 33 1HE PHE 33 2.132 -11.533 0.055 239 HZ PHE 33 HZ PHE 33 2.094 -13.426 -1.561 240 HA PRO 34 HA PRO 34 6.793 -4.569 -4.387 241 1HB PRO 34 2HB PRO 34 8.190 -4.421 -6.746 242 2HB PRO 34 3HB PRO 34 8.827 -5.212 -5.274 243 1HG PRO 34 2HG PRO 34 7.444 -6.523 -7.636 244 2HG PRO 34 3HG PRO 34 8.987 -6.999 -6.854 245 1HD PRO 34 2HD PRO 34 6.645 -8.217 -6.225 246 2HD PRO 34 3HD PRO 34 7.869 -7.868 -4.967 247 H GLN 35 H GLN 35 4.885 -6.096 -6.883 248 HA GLN 35 HA GLN 35 4.082 -3.925 -8.462 249 1HB GLN 35 2HB GLN 35 2.074 -5.207 -8.968 250 2HB GLN 35 3HB GLN 35 3.525 -6.203 -9.028 251 1HG GLN 35 2HG GLN 35 2.957 -7.223 -6.849 252 2HG GLN 35 3HG GLN 35 1.557 -6.161 -6.688 253 1HE2 GLN 35 1HE2 GLN 35 -0.416 -6.915 -7.500 254 2HE2 GLN 35 2HE2 GLN 35 -0.521 -8.297 -8.584 255 H TYR 36 H TYR 36 2.880 -4.760 -5.195 256 HA TYR 36 HA TYR 36 0.751 -2.804 -5.161 257 1HB TYR 36 2HB TYR 36 2.356 -4.115 -2.947 258 2HB TYR 36 3HB TYR 36 1.063 -2.964 -2.645 259 HD1 TYR 36 2HD TYR 36 -1.236 -3.534 -4.017 260 HD2 TYR 36 1HD TYR 36 1.739 -6.349 -2.673 261 HE1 TYR 36 2HE TYR 36 -2.950 -5.349 -4.002 262 HE2 TYR 36 1HE TYR 36 0.031 -8.163 -2.673 263 HH TYR 36 HH TYR 36 -2.147 -8.715 -3.091 264 H ALA 37 H ALA 37 4.097 -2.649 -3.823 265 HA ALA 37 HA ALA 37 3.995 0.065 -3.015 266 1HB ALA 37 1HB ALA 37 5.688 -1.531 -2.252 267 2HB ALA 37 2HB ALA 37 6.378 -1.627 -3.887 268 3HB ALA 37 3HB ALA 37 6.459 -0.104 -2.964 269 H GLN 38 H GLN 38 4.960 -1.287 -6.188 270 HA GLN 38 HA GLN 38 5.739 1.170 -7.436 271 1HB GLN 38 2HB GLN 38 4.652 -1.465 -8.486 272 2HB GLN 38 3HB GLN 38 5.071 -0.147 -9.573 273 1HG GLN 38 2HG GLN 38 7.064 -1.281 -7.563 274 2HG GLN 38 3HG GLN 38 6.865 -1.921 -9.189 275 1HE2 GLN 38 1HE2 GLN 38 8.308 0.709 -7.323 276 2HE2 GLN 38 2HE2 GLN 38 8.979 1.509 -8.735 277 H LEU 39 H LEU 39 2.503 -0.104 -6.836 278 HA LEU 39 HA LEU 39 1.159 1.807 -8.599 279 1HB LEU 39 2HB LEU 39 0.276 -0.339 -6.644 280 2HB LEU 39 3HB LEU 39 -0.886 0.737 -7.356 281 HG LEU 39 HG LEU 39 0.999 -0.974 -9.026 282 1HD1 LEU 39 1HD1 LEU 39 -0.461 -2.404 -7.643 283 2HD1 LEU 39 2HD1 LEU 39 -0.936 -2.476 -9.347 284 3HD1 LEU 39 3HD1 LEU 39 -1.890 -1.506 -8.198 285 1HD2 LEU 39 1HD2 LEU 39 -0.004 0.979 -10.228 286 2HD2 LEU 39 2HD2 LEU 39 -1.619 0.391 -9.776 287 3HD2 LEU 39 3HD2 LEU 39 -0.582 -0.576 -10.837 288 H TYR 40 H TYR 40 2.673 2.411 -5.737 289 HA TYR 40 HA TYR 40 0.803 3.934 -4.240 290 1HB TYR 40 2HB TYR 40 2.982 3.235 -3.357 291 2HB TYR 40 3HB TYR 40 3.806 4.245 -4.531 292 HD1 TYR 40 1HD TYR 40 0.821 5.069 -2.329 293 HD2 TYR 40 2HD TYR 40 4.992 5.784 -3.220 294 HE1 TYR 40 1HE TYR 40 0.852 6.921 -0.690 295 HE2 TYR 40 2HE TYR 40 5.018 7.630 -1.546 296 HH TYR 40 HH TYR 40 2.108 8.551 0.326 297 H GLU 41 H GLU 41 3.191 5.201 -6.616 298 HA GLU 41 HA GLU 41 2.121 7.883 -6.539 299 1HB GLU 41 2HB GLU 41 3.907 6.535 -8.600 300 2HB GLU 41 3HB GLU 41 3.559 8.273 -8.517 301 1HG GLU 41 2HG GLU 41 4.484 8.301 -6.179 302 2HG GLU 41 3HG GLU 41 4.995 6.623 -6.395 303 H ASP 42 H ASP 42 1.121 5.092 -8.340 304 HA ASP 42 HA ASP 42 -0.549 6.532 -10.283 305 1HB ASP 42 2HB ASP 42 -0.376 3.620 -9.417 306 2HB ASP 42 3HB ASP 42 -1.544 4.203 -10.595 307 H SER 43 H SER 43 -0.817 6.124 -6.957 308 HA SER 43 HA SER 43 -2.420 6.309 -5.405 309 1HB SER 43 2HB SER 43 -4.174 7.554 -7.546 310 2HB SER 43 3HB SER 43 -4.376 7.687 -5.795 311 HG SER 43 HG SER 43 -2.133 8.605 -7.301 312 H GLN 44 H GLN 44 -2.319 3.849 -7.017 313 HA GLN 44 HA GLN 44 -5.114 2.847 -7.034 314 1HB GLN 44 2HB GLN 44 -2.499 1.859 -8.174 315 2HB GLN 44 3HB GLN 44 -3.945 0.856 -8.205 316 1HG GLN 44 2HG GLN 44 -3.762 3.617 -9.472 317 2HG GLN 44 3HG GLN 44 -3.426 2.114 -10.313 318 1HE2 GLN 44 1HE2 GLN 44 -5.221 3.231 -11.704 319 2HE2 GLN 44 2HE2 GLN 44 -6.854 2.718 -11.288 320 H PHE 45 H PHE 45 -3.127 3.122 -4.556 321 HA PHE 45 HA PHE 45 -3.034 0.519 -3.349 322 1HB PHE 45 2HB PHE 45 -2.660 3.322 -2.453 323 2HB PHE 45 3HB PHE 45 -3.268 2.236 -1.224 324 HD1 PHE 45 1HD PHE 45 -0.617 2.238 -3.898 325 HD2 PHE 45 2HD PHE 45 -1.740 1.083 0.099 326 HE1 PHE 45 1HE PHE 45 1.681 1.396 -3.480 327 HE2 PHE 45 2HE PHE 45 0.565 0.217 0.486 328 HZ PHE 45 HZ PHE 45 2.264 0.358 -1.307 329 HA PRO 46 HA PRO 46 -7.233 1.235 -1.241 330 1HB PRO 46 2HB PRO 46 -8.943 3.264 -1.917 331 2HB PRO 46 3HB PRO 46 -7.613 3.460 -0.761 332 1HG PRO 46 2HG PRO 46 -7.631 4.189 -3.698 333 2HG PRO 46 3HG PRO 46 -7.063 5.172 -2.311 334 1HD PRO 46 2HD PRO 46 -5.378 3.725 -3.885 335 2HD PRO 46 3HD PRO 46 -5.071 3.950 -2.141 336 H ILE 47 H ILE 47 -7.178 -0.625 -2.690 337 HA ILE 47 HA ILE 47 -9.531 -0.691 -4.546 338 HB ILE 47 HB ILE 47 -8.315 -2.327 -5.952 339 1HG1 ILE 47 2HG1 ILE 47 -5.744 -1.336 -4.646 340 2HG1 ILE 47 3HG1 ILE 47 -6.483 -2.856 -4.201 341 1HG2 ILE 47 1HG2 ILE 47 -8.633 0.045 -6.566 342 2HG2 ILE 47 2HG2 ILE 47 -7.069 0.446 -5.833 343 3HG2 ILE 47 3HG2 ILE 47 -7.146 -0.620 -7.247 344 1HD1 ILE 47 1HD1 ILE 47 -4.746 -3.274 -5.825 345 2HD1 ILE 47 2HD1 ILE 47 -6.323 -3.654 -6.545 346 3HD1 ILE 47 3HD1 ILE 47 -5.476 -2.149 -6.982 347 H ASN 48 H ASN 48 -10.381 -1.223 -2.354 348 HA ASN 48 HA ASN 48 -11.326 -2.676 -0.857 349 1HB ASN 48 2HB ASN 48 -11.257 -4.571 -3.242 350 2HB ASN 48 3HB ASN 48 -12.230 -4.772 -1.799 351 1HD2 ASN 48 1HD2 ASN 48 -14.353 -4.169 -2.079 352 2HD2 ASN 48 2HD2 ASN 48 -14.853 -2.930 -3.223 353 H ILE 49 H ILE 49 -9.224 -2.536 0.303 354 HA ILE 49 HA ILE 49 -7.181 -4.450 0.230 355 HB ILE 49 HB ILE 49 -8.197 -2.883 2.611 356 1HG1 ILE 49 2HG1 ILE 49 -5.829 -2.453 0.716 357 2HG1 ILE 49 3HG1 ILE 49 -7.359 -1.589 0.605 358 1HG2 ILE 49 1HG2 ILE 49 -5.985 -3.372 3.655 359 2HG2 ILE 49 2HG2 ILE 49 -6.893 -4.845 3.413 360 3HG2 ILE 49 3HG2 ILE 49 -5.577 -4.435 2.292 361 1HD1 ILE 49 1HD1 ILE 49 -5.745 -0.169 1.667 362 2HD1 ILE 49 2HD1 ILE 49 -6.984 -0.613 2.862 363 3HD1 ILE 49 3HD1 ILE 49 -5.378 -1.384 2.895 364 H VAL 50 H VAL 50 -10.227 -4.656 2.025 365 HA VAL 50 HA VAL 50 -9.802 -7.129 3.358 366 HB VAL 50 HB VAL 50 -12.435 -5.945 2.396 367 1HG1 VAL 50 1HG1 VAL 50 -11.857 -7.981 4.598 368 2HG1 VAL 50 2HG1 VAL 50 -13.423 -7.187 4.320 369 3HG1 VAL 50 3HG1 VAL 50 -12.770 -8.275 3.102 370 1HG2 VAL 50 1HG2 VAL 50 -12.580 -5.030 4.711 371 2HG2 VAL 50 2HG2 VAL 50 -10.934 -5.613 5.036 372 3HG2 VAL 50 3HG2 VAL 50 -11.221 -4.343 3.828 373 H ALA 51 H ALA 51 -10.704 -6.561 -0.011 374 HA ALA 51 HA ALA 51 -11.387 -9.369 -0.534 375 1HB ALA 51 1HB ALA 51 -11.585 -8.649 -2.851 376 2HB ALA 51 2HB ALA 51 -12.465 -7.530 -1.794 377 3HB ALA 51 3HB ALA 51 -10.885 -7.069 -2.471 378 H VAL 52 H VAL 52 -8.679 -7.182 -1.529 379 HA VAL 52 HA VAL 52 -7.229 -9.302 -2.797 380 HB VAL 52 HB VAL 52 -5.349 -7.854 -3.029 381 1HG1 VAL 52 1HG1 VAL 52 -6.361 -6.007 -4.224 382 2HG1 VAL 52 2HG1 VAL 52 -7.334 -7.467 -4.472 383 3HG1 VAL 52 3HG1 VAL 52 -7.887 -6.206 -3.347 384 1HG2 VAL 52 1HG2 VAL 52 -5.162 -6.796 -0.834 385 2HG2 VAL 52 2HG2 VAL 52 -5.298 -5.557 -2.083 386 3HG2 VAL 52 3HG2 VAL 52 -6.715 -5.967 -1.096 387 H LYS 53 H LYS 53 -7.035 -8.159 0.564 388 HA LYS 53 HA LYS 53 -4.695 -9.647 1.270 389 1HB LYS 53 2HB LYS 53 -5.126 -9.046 3.466 390 2HB LYS 53 3HB LYS 53 -5.891 -7.770 2.576 391 1HG LYS 53 2HG LYS 53 -8.111 -8.897 2.907 392 2HG LYS 53 3HG LYS 53 -7.303 -10.170 3.839 393 1HD LYS 53 2HD LYS 53 -6.503 -8.467 5.460 394 2HD LYS 53 3HD LYS 53 -7.418 -7.222 4.577 395 1HE LYS 53 2HE LYS 53 -9.522 -8.480 5.002 396 2HE LYS 53 3HE LYS 53 -8.610 -9.744 5.830 397 1HZ LYS 53 1HZ LYS 53 -8.769 -6.919 6.748 398 2HZ LYS 53 2HZ LYS 53 -7.963 -8.116 7.511 399 3HZ LYS 53 3HZ LYS 53 -9.589 -8.170 7.406 400 H ASN 54 H ASN 54 -8.052 -10.627 1.102 401 HA ASN 54 HA ASN 54 -7.700 -13.184 2.402 402 1HB ASN 54 2HB ASN 54 -9.769 -11.603 2.222 403 2HB ASN 54 3HB ASN 54 -10.034 -12.337 0.643 404 1HD2 ASN 54 1HD2 ASN 54 -12.131 -12.687 2.029 405 2HD2 ASN 54 2HD2 ASN 54 -12.175 -14.214 2.904 406 H ASP 55 H ASP 55 -6.920 -12.201 -0.778 407 HA ASP 55 HA ASP 55 -7.573 -14.564 -2.268 408 1HB ASP 55 2HB ASP 55 -7.108 -12.296 -3.209 409 2HB ASP 55 3HB ASP 55 -5.406 -12.494 -2.782 410 H HIS 56 H HIS 56 -4.714 -13.739 -0.352 411 HA HIS 56 HA HIS 56 -3.114 -15.973 -1.396 412 1HB HIS 56 2HB HIS 56 -2.577 -13.716 0.563 413 2HB HIS 56 3HB HIS 56 -1.406 -14.995 0.252 414 HD1 HIS 56 1HD HIS 56 -0.590 -15.254 -2.409 415 HD2 HIS 56 2HD HIS 56 -2.594 -11.734 -1.227 416 HE1 HIS 56 1HE HIS 56 -0.121 -13.527 -4.219 417 H ASP 57 H ASP 57 -5.585 -16.392 0.424 418 HA ASP 57 HA ASP 57 -4.818 -17.369 2.944 419 1HB ASP 57 2HB ASP 57 -6.951 -18.339 3.107 420 2HB ASP 57 3HB ASP 57 -7.127 -16.829 2.232 421 H PHE 58 H PHE 58 -4.584 -19.062 -0.123 422 HA PHE 58 HA PHE 58 -4.004 -21.676 1.063 423 1HB PHE 58 2HB PHE 58 -3.638 -22.402 -1.198 424 2HB PHE 58 3HB PHE 58 -5.094 -21.429 -1.139 425 HD1 PHE 58 1HD PHE 58 -5.176 -19.195 -2.233 426 HD2 PHE 58 2HD PHE 58 -1.618 -21.638 -2.390 427 HE1 PHE 58 1HE PHE 58 -4.267 -17.766 -4.044 428 HE2 PHE 58 2HE PHE 58 -0.717 -20.203 -4.203 429 HZ PHE 58 HZ PHE 58 -2.039 -18.263 -5.032 430 H LEU 59 H LEU 59 -2.066 -18.879 0.409 431 HA LEU 59 HA LEU 59 0.434 -20.411 0.037 432 1HB LEU 59 2HB LEU 59 -0.039 -18.564 -1.470 433 2HB LEU 59 3HB LEU 59 -0.187 -17.438 -0.126 434 HG LEU 59 HG LEU 59 2.203 -17.695 0.406 435 1HD1 LEU 59 1HD1 LEU 59 2.641 -20.005 -0.294 436 2HD1 LEU 59 2HD1 LEU 59 3.711 -18.907 -1.164 437 3HD1 LEU 59 3HD1 LEU 59 2.288 -19.585 -1.988 438 1HD2 LEU 59 1HD2 LEU 59 3.117 -16.618 -1.598 439 2HD2 LEU 59 2HD2 LEU 59 1.507 -15.989 -1.225 440 3HD2 LEU 59 3HD2 LEU 59 1.717 -17.160 -2.550 441 H GLU 60 H GLU 60 -0.236 -17.515 2.022 442 HA GLU 60 HA GLU 60 0.866 -18.780 4.466 443 1HB GLU 60 2HB GLU 60 2.189 -16.406 3.087 444 2HB GLU 60 3HB GLU 60 2.397 -16.794 4.799 445 1HG GLU 60 2HG GLU 60 3.246 -19.067 4.133 446 2HG GLU 60 3HG GLU 60 3.218 -18.533 2.449 447 H LYS 61 H LYS 61 -1.090 -18.483 5.525 448 HA LYS 61 HA LYS 61 -2.671 -16.123 5.484 449 1HB LYS 61 2HB LYS 61 -3.172 -18.513 6.444 450 2HB LYS 61 3HB LYS 61 -2.485 -17.880 7.945 451 1HG LYS 61 2HG LYS 61 -4.185 -15.934 7.711 452 2HG LYS 61 3HG LYS 61 -4.871 -16.830 6.357 453 1HD LYS 61 2HD LYS 61 -6.247 -17.451 8.162 454 2HD LYS 61 3HD LYS 61 -5.145 -18.811 7.984 455 1HE LYS 61 2HE LYS 61 -5.250 -18.419 10.310 456 2HE LYS 61 3HE LYS 61 -3.699 -17.737 9.816 457 1HZ LYS 61 1HZ LYS 61 -4.921 -16.227 11.282 458 2HZ LYS 61 2HZ LYS 61 -6.200 -16.187 10.275 459 3HZ LYS 61 3HZ LYS 61 -4.777 -15.526 9.816 460 H ASP 62 H ASP 62 0.128 -16.871 7.484 461 HA ASP 62 HA ASP 62 -0.037 -14.606 9.263 462 1HB ASP 62 2HB ASP 62 2.328 -16.291 8.349 463 2HB ASP 62 3HB ASP 62 2.415 -15.069 9.615 464 H LEU 63 H LEU 63 1.000 -14.783 5.917 465 HA LEU 63 HA LEU 63 2.532 -12.300 5.952 466 1HB LEU 63 2HB LEU 63 2.798 -14.327 4.387 467 2HB LEU 63 3HB LEU 63 1.328 -13.784 3.581 468 HG LEU 63 HG LEU 63 2.490 -11.652 2.966 469 1HD1 LEU 63 1HD1 LEU 63 4.941 -11.520 3.193 470 2HD1 LEU 63 2HD1 LEU 63 4.961 -13.050 4.100 471 3HD1 LEU 63 3HD1 LEU 63 4.190 -11.614 4.789 472 1HD2 LEU 63 1HD2 LEU 63 2.455 -13.593 1.429 473 2HD2 LEU 63 2HD2 LEU 63 3.943 -14.215 2.171 474 3HD2 LEU 63 3HD2 LEU 63 3.969 -12.681 1.277 475 H VAL 64 H VAL 64 -0.801 -13.113 5.819 476 HA VAL 64 HA VAL 64 -1.793 -10.838 4.339 477 HB VAL 64 HB VAL 64 -3.303 -12.671 6.243 478 1HG1 VAL 64 1HG1 VAL 64 -4.227 -10.917 3.965 479 2HG1 VAL 64 2HG1 VAL 64 -5.261 -12.059 4.848 480 3HG1 VAL 64 3HG1 VAL 64 -4.596 -10.654 5.687 481 1HG2 VAL 64 1HG2 VAL 64 -2.859 -12.868 3.221 482 2HG2 VAL 64 2HG2 VAL 64 -2.214 -13.991 4.430 483 3HG2 VAL 64 3HG2 VAL 64 -3.954 -13.897 4.166 484 H GLU 65 H GLU 65 -1.173 -11.378 7.790 485 HA GLU 65 HA GLU 65 -2.542 -9.112 8.861 486 1HB GLU 65 2HB GLU 65 -0.200 -10.766 9.792 487 2HB GLU 65 3HB GLU 65 -0.588 -9.247 10.617 488 1HG GLU 65 2HG GLU 65 -2.921 -10.056 10.946 489 2HG GLU 65 3HG GLU 65 -2.457 -11.619 10.259 490 HA PRO 66 HA PRO 66 1.257 -6.297 8.363 491 1HB PRO 66 2HB PRO 66 3.397 -7.029 6.789 492 2HB PRO 66 3HB PRO 66 3.285 -7.323 8.550 493 1HG PRO 66 2HG PRO 66 2.606 -9.246 6.307 494 2HG PRO 66 3HG PRO 66 3.605 -9.556 7.763 495 1HD PRO 66 2HD PRO 66 1.015 -10.286 7.622 496 2HD PRO 66 3HD PRO 66 1.688 -9.617 9.140 497 H LEU 67 H LEU 67 0.514 -8.301 5.468 498 HA LEU 67 HA LEU 67 0.579 -6.258 3.503 499 1HB LEU 67 2HB LEU 67 0.288 -8.669 3.030 500 2HB LEU 67 3HB LEU 67 -1.296 -8.636 3.794 501 HG LEU 67 HG LEU 67 -2.087 -7.038 2.018 502 1HD1 LEU 67 1HD1 LEU 67 0.616 -7.694 0.759 503 2HD1 LEU 67 2HD1 LEU 67 0.057 -6.088 1.279 504 3HD1 LEU 67 3HD1 LEU 67 -0.737 -6.904 -0.072 505 1HD2 LEU 67 1HD2 LEU 67 -2.475 -9.479 1.899 506 2HD2 LEU 67 2HD2 LEU 67 -0.953 -9.677 1.009 507 3HD2 LEU 67 3HD2 LEU 67 -2.293 -8.753 0.292 508 H CYS 68 H CYS 68 -2.205 -7.275 5.540 509 HA CYS 68 HA CYS 68 -4.039 -5.273 4.759 510 1HB CYS 68 2HB CYS 68 -4.475 -7.364 6.089 511 2HB CYS 68 3HB CYS 68 -3.776 -6.572 7.508 512 HG CYS 68 HG CYS 68 -5.441 -4.520 7.529 513 H ARG 69 H ARG 69 -1.642 -5.153 7.432 514 HA ARG 69 HA ARG 69 -2.253 -2.489 8.335 515 1HB ARG 69 2HB ARG 69 0.355 -4.065 8.488 516 2HB ARG 69 3HB ARG 69 0.082 -2.504 9.262 517 1HG ARG 69 2HG ARG 69 -1.795 -3.474 10.578 518 2HG ARG 69 3HG ARG 69 -1.436 -5.066 9.878 519 1HD ARG 69 2HD ARG 69 0.891 -4.912 10.767 520 2HD ARG 69 3HD ARG 69 0.498 -3.334 11.480 521 HE ARG 69 HE ARG 69 -1.366 -5.316 12.404 522 1HH1 ARG 69 1HH1 ARG 69 1.953 -4.343 12.934 523 2HH1 ARG 69 2HH1 ARG 69 1.990 -5.000 14.547 524 1HH2 ARG 69 1HH2 ARG 69 -1.258 -6.143 14.465 525 2HH2 ARG 69 2HH2 ARG 69 0.213 -5.995 15.381 526 H ARG 70 H ARG 70 0.397 -3.466 6.135 527 HA ARG 70 HA ARG 70 1.383 -0.756 5.789 528 1HB ARG 70 2HB ARG 70 1.845 -3.211 4.046 529 2HB ARG 70 3HB ARG 70 2.754 -1.712 3.962 530 1HG ARG 70 2HG ARG 70 2.772 -3.712 6.262 531 2HG ARG 70 3HG ARG 70 4.036 -3.392 5.098 532 1HD ARG 70 2HD ARG 70 4.758 -2.385 7.057 533 2HD ARG 70 3HD ARG 70 4.181 -1.029 6.076 534 HE ARG 70 HE ARG 70 2.017 -1.817 7.680 535 1HH1 ARG 70 1HH1 ARG 70 5.225 -0.608 8.332 536 2HH1 ARG 70 2HH1 ARG 70 4.734 0.211 9.787 537 1HH2 ARG 70 1HH2 ARG 70 1.406 -0.583 9.462 538 2HH2 ARG 70 2HH2 ARG 70 2.634 0.185 10.411 539 H LEU 71 H LEU 71 -0.787 -2.686 3.701 540 HA LEU 71 HA LEU 71 -1.102 -0.616 1.712 541 1HB LEU 71 2HB LEU 71 -3.043 -2.807 2.533 542 2HB LEU 71 3HB LEU 71 -3.204 -1.772 1.118 543 HG LEU 71 HG LEU 71 -1.017 -3.841 1.581 544 1HD1 LEU 71 1HD1 LEU 71 -3.304 -3.672 -0.425 545 2HD1 LEU 71 2HD1 LEU 71 -3.225 -4.757 0.983 546 3HD1 LEU 71 3HD1 LEU 71 -2.076 -4.949 -0.353 547 1HD2 LEU 71 1HD2 LEU 71 0.005 -2.053 0.341 548 2HD2 LEU 71 2HD2 LEU 71 -1.390 -1.954 -0.767 549 3HD2 LEU 71 3HD2 LEU 71 -0.337 -3.390 -0.749 550 H ASN 72 H ASN 72 -2.993 -1.309 4.684 551 HA ASN 72 HA ASN 72 -4.800 0.880 4.368 552 1HB ASN 72 2HB ASN 72 -5.180 -1.187 5.704 553 2HB ASN 72 3HB ASN 72 -4.008 -0.610 6.896 554 1HD2 ASN 72 1HD2 ASN 72 -7.105 0.274 5.266 555 2HD2 ASN 72 2HD2 ASN 72 -7.728 1.120 6.677 556 H THR 73 H THR 73 -1.517 1.016 5.143 557 HA THR 73 HA THR 73 -1.668 3.586 6.631 558 HB THR 73 HB THR 73 0.772 2.089 5.609 559 HG1 THR 73 1HG THR 73 -0.476 1.004 7.234 560 1HG2 THR 73 1HG2 THR 73 1.945 3.475 7.322 561 2HG2 THR 73 2HG2 THR 73 0.452 4.413 7.559 562 3HG2 THR 73 3HG2 THR 73 1.294 4.445 5.992 563 H LEU 74 H LEU 74 -0.232 2.469 3.501 564 HA LEU 74 HA LEU 74 0.183 5.166 2.559 565 1HB LEU 74 2HB LEU 74 0.595 2.411 1.561 566 2HB LEU 74 3HB LEU 74 0.192 3.568 0.292 567 HG LEU 74 HG LEU 74 2.035 5.032 0.963 568 1HD1 LEU 74 1HD1 LEU 74 2.612 2.883 3.032 569 2HD1 LEU 74 2HD1 LEU 74 2.281 4.604 3.328 570 3HD1 LEU 74 3HD1 LEU 74 3.772 4.129 2.503 571 1HD2 LEU 74 1HD2 LEU 74 2.398 3.226 -0.708 572 2HD2 LEU 74 2HD2 LEU 74 2.948 2.148 0.596 573 3HD2 LEU 74 3HD2 LEU 74 3.864 3.617 0.196 574 H ASN 75 H ASN 75 -2.569 2.928 2.032 575 HA ASN 75 HA ASN 75 -3.748 4.432 -0.067 576 1HB ASN 75 2HB ASN 75 -5.613 3.120 0.163 577 2HB ASN 75 3HB ASN 75 -4.372 2.063 0.796 578 1HD2 ASN 75 1HD2 ASN 75 -7.434 2.296 1.287 579 2HD2 ASN 75 2HD2 ASN 75 -7.496 2.411 3.039 580 H LYS 76 H LYS 76 -3.786 4.986 3.348 581 HA LYS 76 HA LYS 76 -5.846 6.930 3.608 582 1HB LYS 76 2HB LYS 76 -4.220 5.505 5.308 583 2HB LYS 76 3HB LYS 76 -3.403 7.054 5.366 584 1HG LYS 76 2HG LYS 76 -4.915 6.937 7.188 585 2HG LYS 76 3HG LYS 76 -5.611 8.103 6.057 586 1HD LYS 76 2HD LYS 76 -7.255 6.512 5.287 587 2HD LYS 76 3HD LYS 76 -6.444 5.158 6.076 588 1HE LYS 76 2HE LYS 76 -7.668 7.512 7.580 589 2HE LYS 76 3HE LYS 76 -8.550 6.030 7.200 590 1HZ LYS 76 1HZ LYS 76 -6.087 6.148 8.858 591 2HZ LYS 76 2HZ LYS 76 -6.890 4.777 8.470 592 3HZ LYS 76 3HZ LYS 76 -7.599 5.902 9.415 593 H CYS 77 H CYS 77 -2.582 7.251 2.489 594 HA CYS 77 HA CYS 77 -2.758 10.227 2.332 595 1HB CYS 77 2HB CYS 77 -0.474 8.290 1.750 596 2HB CYS 77 3HB CYS 77 -0.384 10.057 1.630 597 HG CYS 77 HG CYS 77 -1.039 10.555 4.134 598 H ALA 78 H ALA 78 -2.656 7.333 0.236 599 HA ALA 78 HA ALA 78 -2.325 8.602 -2.254 600 1HB ALA 78 1HB ALA 78 -2.082 6.167 -1.786 601 2HB ALA 78 2HB ALA 78 -3.853 6.046 -1.619 602 3HB ALA 78 3HB ALA 78 -3.136 6.485 -3.177 603 H SER 79 H SER 79 -5.287 8.382 -0.339 604 HA SER 79 HA SER 79 -7.151 9.111 -2.433 605 1HB SER 79 2HB SER 79 -8.663 9.631 -0.539 606 2HB SER 79 3HB SER 79 -7.926 8.022 -0.424 607 HG SER 79 HG SER 79 -7.871 9.169 1.573 608 H MET 80 H MET 80 -4.962 10.961 -0.434 609 HA MET 80 HA MET 80 -6.179 13.583 -1.134 610 1HB MET 80 2HB MET 80 -3.836 12.843 0.673 611 2HB MET 80 3HB MET 80 -4.461 14.476 0.436 612 1HG MET 80 2HG MET 80 -6.033 12.142 1.591 613 2HG MET 80 3HG MET 80 -5.295 13.441 2.519 614 1HE MET 80 1HE MET 80 -8.507 12.239 2.123 615 2HE MET 80 2HE MET 80 -7.932 13.195 3.510 616 3HE MET 80 3HE MET 80 -9.342 13.740 2.573 617 H LYS 81 H LYS 81 -4.590 15.317 -1.750 618 HA LYS 81 HA LYS 81 -2.454 14.450 -3.641 619 1HB LYS 81 2HB LYS 81 -4.716 16.368 -4.345 620 2HB LYS 81 3HB LYS 81 -3.288 16.035 -5.328 621 1HG LYS 81 2HG LYS 81 -4.003 13.611 -5.466 622 2HG LYS 81 3HG LYS 81 -5.467 14.035 -4.577 623 1HD LYS 81 2HD LYS 81 -6.091 13.987 -6.870 624 2HD LYS 81 3HD LYS 81 -6.065 15.672 -6.368 625 1HE LYS 81 2HE LYS 81 -5.083 15.609 -8.529 626 2HE LYS 81 3HE LYS 81 -3.757 15.884 -7.402 627 1HZ LYS 81 1HZ LYS 81 -3.202 14.185 -9.051 628 2HZ LYS 81 2HZ LYS 81 -4.470 13.261 -8.615 629 3HZ LYS 81 3HZ LYS 81 -3.229 13.494 -7.576 Start of MODEL 17 1 1H MET 1 1H MET 1 17.297 -25.378 21.128 2 2H MET 1 2H MET 1 16.151 -26.483 20.746 3 3H MET 1 3H MET 1 16.782 -26.450 22.256 4 HA MET 1 HA MET 1 14.567 -25.480 22.239 5 1HB MET 1 2HB MET 1 16.874 -23.576 22.843 6 2HB MET 1 3HB MET 1 15.184 -23.190 23.166 7 1HG MET 1 2HG MET 1 16.137 -23.970 25.190 8 2HG MET 1 3HG MET 1 14.980 -25.170 24.628 9 1HE MET 1 1HE MET 1 17.556 -27.358 26.577 10 2HE MET 1 2HE MET 1 16.992 -25.724 26.992 11 3HE MET 1 3HE MET 1 15.845 -26.928 26.358 12 H HIS 2 H HIS 2 13.080 -24.670 20.904 13 HA HIS 2 HA HIS 2 13.830 -22.660 18.825 14 1HB HIS 2 2HB HIS 2 12.233 -25.211 18.395 15 2HB HIS 2 3HB HIS 2 12.385 -23.897 17.230 16 HD1 HIS 2 1HD HIS 2 15.110 -23.398 16.472 17 HD2 HIS 2 2HD HIS 2 14.025 -27.095 18.194 18 HE1 HIS 2 1HE HIS 2 16.990 -25.023 15.916 19 H HIS 3 H HIS 3 12.846 -20.936 19.730 20 HA HIS 3 HA HIS 3 9.897 -20.915 19.728 21 1HB HIS 3 2HB HIS 3 10.979 -21.385 22.117 22 2HB HIS 3 3HB HIS 3 11.264 -19.652 22.109 23 HD1 HIS 3 1HD HIS 3 8.659 -22.159 22.897 24 HD2 HIS 3 2HD HIS 3 8.813 -18.142 21.612 25 HE1 HIS 3 1HE HIS 3 6.360 -21.167 23.376 26 H HIS 4 H HIS 4 9.238 -19.187 18.603 27 HA HIS 4 HA HIS 4 10.907 -16.712 18.472 28 1HB HIS 4 2HB HIS 4 9.591 -18.110 16.111 29 2HB HIS 4 3HB HIS 4 10.480 -16.591 16.059 30 HD1 HIS 4 1HD HIS 4 13.240 -16.839 16.602 31 HD2 HIS 4 2HD HIS 4 10.986 -20.318 15.813 32 HE1 HIS 4 1HE HIS 4 14.921 -18.668 16.039 33 H HIS 5 H HIS 5 9.790 -14.800 18.052 34 HA HIS 5 HA HIS 5 6.838 -14.764 17.931 35 1HB HIS 5 2HB HIS 5 8.522 -13.635 20.195 36 2HB HIS 5 3HB HIS 5 6.991 -12.893 19.768 37 HD1 HIS 5 1HD HIS 5 4.982 -15.191 19.479 38 HD2 HIS 5 2HD HIS 5 8.059 -14.997 22.362 39 HE1 HIS 5 1HE HIS 5 4.222 -16.631 21.427 40 H HIS 6 H HIS 6 6.005 -12.579 17.598 41 HA HIS 6 HA HIS 6 7.798 -10.748 16.068 42 1HB HIS 6 2HB HIS 6 5.093 -11.802 15.160 43 2HB HIS 6 3HB HIS 6 6.053 -10.571 14.342 44 HD1 HIS 6 1HD HIS 6 8.270 -11.471 13.015 45 HD2 HIS 6 2HD HIS 6 5.835 -14.365 14.884 46 HE1 HIS 6 1HE HIS 6 9.023 -13.731 12.108 47 H HIS 7 H HIS 7 7.817 -9.249 17.716 48 HA HIS 7 HA HIS 7 5.243 -7.850 18.321 49 1HB HIS 7 2HB HIS 7 6.045 -9.350 20.178 50 2HB HIS 7 3HB HIS 7 7.466 -8.325 20.333 51 HD1 HIS 7 1HD HIS 7 3.730 -8.405 21.108 52 HD2 HIS 7 2HD HIS 7 7.032 -5.786 21.326 53 HE1 HIS 7 1HE HIS 7 3.002 -6.462 22.585 54 H SER 8 H SER 8 5.799 -6.535 16.538 55 HA SER 8 HA SER 8 7.704 -4.326 17.134 56 1HB SER 8 2HB SER 8 8.384 -4.413 14.701 57 2HB SER 8 3HB SER 8 9.018 -5.674 15.764 58 HG SER 8 HG SER 8 8.262 -6.505 13.752 59 H SER 9 H SER 9 6.214 -2.820 17.556 60 HA SER 9 HA SER 9 4.736 -1.684 15.282 61 1HB SER 9 2HB SER 9 3.193 -3.333 16.553 62 2HB SER 9 3HB SER 9 3.257 -2.175 17.890 63 HG SER 9 HG SER 9 2.187 -1.882 15.274 64 H GLY 10 H GLY 10 3.746 0.439 15.941 65 1HA GLY 10 2HA GLY 10 5.455 1.970 17.890 66 2HA GLY 10 1HA GLY 10 4.778 2.657 16.418 67 H LEU 11 H LEU 11 4.341 3.922 18.762 68 HA LEU 11 HA LEU 11 1.410 3.713 19.106 69 1HB LEU 11 2HB LEU 11 2.570 2.279 20.861 70 2HB LEU 11 3HB LEU 11 3.309 3.746 21.485 71 HG LEU 11 HG LEU 11 0.947 4.663 21.854 72 1HD1 LEU 11 1HD1 LEU 11 0.194 1.761 21.258 73 2HD1 LEU 11 2HD1 LEU 11 -0.321 3.184 20.328 74 3HD1 LEU 11 3HD1 LEU 11 -0.880 2.973 21.987 75 1HD2 LEU 11 1HD2 LEU 11 2.281 3.702 23.685 76 2HD2 LEU 11 2HD2 LEU 11 1.697 2.074 23.280 77 3HD2 LEU 11 3HD2 LEU 11 0.567 3.308 23.883 78 H VAL 12 H VAL 12 0.959 5.598 18.232 79 HA VAL 12 HA VAL 12 0.901 7.792 17.655 80 HB VAL 12 HB VAL 12 1.214 8.337 20.616 81 1HG1 VAL 12 1HG1 VAL 12 1.226 10.379 19.177 82 2HG1 VAL 12 2HG1 VAL 12 -0.258 9.821 18.377 83 3HG1 VAL 12 3HG1 VAL 12 -0.270 10.256 20.100 84 1HG2 VAL 12 1HG2 VAL 12 -1.264 7.574 19.007 85 2HG2 VAL 12 2HG2 VAL 12 -0.521 6.628 20.319 86 3HG2 VAL 12 3HG2 VAL 12 -1.266 8.183 20.677 87 HA PRO 13 HA PRO 13 5.479 8.467 17.618 88 1HB PRO 13 2HB PRO 13 5.872 8.548 14.930 89 2HB PRO 13 3HB PRO 13 5.711 7.011 15.831 90 1HG PRO 13 2HG PRO 13 3.553 8.495 14.293 91 2HG PRO 13 3HG PRO 13 3.986 6.757 14.189 92 1HD PRO 13 2HD PRO 13 1.935 7.652 15.745 93 2HD PRO 13 3HD PRO 13 2.968 6.285 16.262 94 H ARG 14 H ARG 14 6.719 10.253 16.759 95 HA ARG 14 HA ARG 14 5.168 12.802 16.669 96 1HB ARG 14 2HB ARG 14 6.752 12.411 18.502 97 2HB ARG 14 3HB ARG 14 8.086 12.257 17.356 98 1HG ARG 14 2HG ARG 14 7.820 14.599 16.669 99 2HG ARG 14 3HG ARG 14 6.364 14.760 17.680 100 1HD ARG 14 2HD ARG 14 7.686 14.303 19.699 101 2HD ARG 14 3HD ARG 14 9.150 14.082 18.718 102 HE ARG 14 HE ARG 14 8.209 16.634 18.068 103 1HH1 ARG 14 1HH1 ARG 14 9.311 15.123 21.021 104 2HH1 ARG 14 2HH1 ARG 14 9.883 16.627 21.694 105 1HH2 ARG 14 1HH2 ARG 14 8.967 18.516 18.961 106 2HH2 ARG 14 2HH2 ARG 14 9.693 18.497 20.542 107 H GLY 15 H GLY 15 8.175 11.627 15.154 108 1HA GLY 15 2HA GLY 15 7.760 13.470 12.840 109 2HA GLY 15 1HA GLY 15 9.279 12.742 13.349 110 H SER 16 H SER 16 7.027 10.285 13.384 111 HA SER 16 HA SER 16 8.177 9.016 11.038 112 1HB SER 16 2HB SER 16 7.595 7.877 13.216 113 2HB SER 16 3HB SER 16 5.894 7.950 12.712 114 HG SER 16 HG SER 16 6.941 5.982 12.112 115 H GLN 17 H GLN 17 7.408 10.798 9.648 116 HA GLN 17 HA GLN 17 4.697 10.346 8.455 117 1HB GLN 17 2HB GLN 17 6.823 12.477 7.981 118 2HB GLN 17 3HB GLN 17 5.327 12.334 7.045 119 1HG GLN 17 2HG GLN 17 3.969 12.683 9.052 120 2HG GLN 17 3HG GLN 17 5.406 12.709 10.076 121 1HE2 GLN 17 1HE2 GLN 17 6.862 14.587 9.961 122 2HE2 GLN 17 2HE2 GLN 17 6.259 16.080 9.246 123 H GLU 18 H GLU 18 8.068 10.705 7.245 124 HA GLU 18 HA GLU 18 7.543 9.109 4.858 125 1HB GLU 18 2HB GLU 18 10.173 10.040 6.086 126 2HB GLU 18 3HB GLU 18 9.972 9.310 4.486 127 1HG GLU 18 2HG GLU 18 8.394 11.201 3.898 128 2HG GLU 18 3HG GLU 18 8.841 11.981 5.418 129 H ILE 19 H ILE 19 8.816 8.361 8.074 130 HA ILE 19 HA ILE 19 10.046 5.859 7.350 131 HB ILE 19 HB ILE 19 9.172 6.838 10.087 132 1HG1 ILE 19 2HG1 ILE 19 11.837 6.966 10.216 133 2HG1 ILE 19 3HG1 ILE 19 11.715 7.148 8.475 134 1HG2 ILE 19 1HG2 ILE 19 10.995 4.523 9.296 135 2HG2 ILE 19 2HG2 ILE 19 10.753 5.125 10.951 136 3HG2 ILE 19 3HG2 ILE 19 9.410 4.388 10.094 137 1HD1 ILE 19 1HD1 ILE 19 10.424 8.933 10.595 138 2HD1 ILE 19 2HD1 ILE 19 11.876 9.306 9.655 139 3HD1 ILE 19 3HD1 ILE 19 10.311 9.208 8.840 140 H GLU 20 H GLU 20 6.765 6.627 8.498 141 HA GLU 20 HA GLU 20 5.642 4.018 8.639 142 1HB GLU 20 2HB GLU 20 4.553 6.736 7.857 143 2HB GLU 20 3HB GLU 20 3.549 5.294 7.690 144 1HG GLU 20 2HG GLU 20 3.844 4.758 10.064 145 2HG GLU 20 3HG GLU 20 4.832 6.200 10.286 146 H ALA 21 H ALA 21 5.674 6.175 5.768 147 HA ALA 21 HA ALA 21 4.717 4.243 3.911 148 1HB ALA 21 1HB ALA 21 5.526 5.866 2.219 149 2HB ALA 21 2HB ALA 21 4.641 6.667 3.532 150 3HB ALA 21 3HB ALA 21 6.418 6.741 3.481 151 H LYS 22 H LYS 22 8.053 5.081 4.833 152 HA LYS 22 HA LYS 22 9.478 3.497 2.960 153 1HB LYS 22 2HB LYS 22 10.419 5.260 4.409 154 2HB LYS 22 3HB LYS 22 10.263 4.195 5.817 155 1HG LYS 22 2HG LYS 22 11.802 2.574 4.738 156 2HG LYS 22 3HG LYS 22 11.987 3.659 3.358 157 1HD LYS 22 2HD LYS 22 12.733 4.402 6.235 158 2HD LYS 22 3HD LYS 22 13.831 3.661 5.085 159 1HE LYS 22 2HE LYS 22 14.408 5.878 4.921 160 2HE LYS 22 3HE LYS 22 13.387 5.627 3.508 161 1HZ LYS 22 1HZ LYS 22 11.562 6.699 4.746 162 2HZ LYS 22 2HZ LYS 22 12.857 7.688 4.685 163 3HZ LYS 22 3HZ LYS 22 12.528 6.890 6.066 164 H GLU 23 H GLU 23 8.530 2.543 6.304 165 HA GLU 23 HA GLU 23 9.484 -0.160 6.088 166 1HB GLU 23 2HB GLU 23 7.285 1.030 7.829 167 2HB GLU 23 3HB GLU 23 7.851 -0.640 7.946 168 1HG GLU 23 2HG GLU 23 10.193 0.253 8.316 169 2HG GLU 23 3HG GLU 23 9.484 1.857 8.510 170 H ALA 24 H ALA 24 6.378 1.230 5.078 171 HA ALA 24 HA ALA 24 5.170 -1.342 4.446 172 1HB ALA 24 1HB ALA 24 4.509 1.523 3.684 173 2HB ALA 24 2HB ALA 24 3.475 0.119 3.324 174 3HB ALA 24 3HB ALA 24 3.795 0.589 5.006 175 H CYS 25 H CYS 25 6.613 1.201 2.384 176 HA CYS 25 HA CYS 25 6.369 -0.147 -0.098 177 1HB CYS 25 2HB CYS 25 6.860 2.278 0.290 178 2HB CYS 25 3HB CYS 25 8.498 1.847 0.807 179 HG CYS 25 HG CYS 25 9.168 0.627 -1.451 180 H ASP 26 H ASP 26 9.166 -0.092 2.166 181 HA ASP 26 HA ASP 26 10.847 -1.854 0.676 182 1HB ASP 26 2HB ASP 26 11.609 -0.332 2.475 183 2HB ASP 26 3HB ASP 26 10.753 -1.311 3.670 184 H TRP 27 H TRP 27 8.523 -2.572 3.355 185 HA TRP 27 HA TRP 27 9.118 -5.358 3.462 186 1HB TRP 27 2HB TRP 27 7.956 -4.165 5.255 187 2HB TRP 27 3HB TRP 27 6.534 -3.966 4.218 188 HD1 TRP 27 HD1 TRP 27 8.475 -6.506 6.263 189 HE1 TRP 27 1HE TRP 27 7.205 -8.740 6.421 190 HE3 TRP 27 3HE TRP 27 4.579 -5.484 3.077 191 HZ2 TRP 27 2HZ TRP 27 4.969 -9.984 5.164 192 HZ3 TRP 27 3HZ TRP 27 2.897 -7.243 2.560 193 HH2 TRP 27 HH2 TRP 27 3.090 -9.496 3.568 194 H LEU 28 H LEU 28 6.538 -3.667 1.592 195 HA LEU 28 HA LEU 28 5.289 -5.999 0.553 196 1HB LEU 28 2HB LEU 28 5.601 -3.169 -0.471 197 2HB LEU 28 3HB LEU 28 4.706 -4.364 -1.409 198 HG LEU 28 HG LEU 28 4.000 -3.682 1.478 199 1HD1 LEU 28 1HD1 LEU 28 2.814 -2.571 -1.101 200 2HD1 LEU 28 2HD1 LEU 28 3.789 -1.667 0.081 201 3HD1 LEU 28 3HD1 LEU 28 2.196 -2.288 0.541 202 1HD2 LEU 28 1HD2 LEU 28 1.817 -4.661 0.885 203 2HD2 LEU 28 2HD2 LEU 28 3.105 -5.849 0.650 204 3HD2 LEU 28 3HD2 LEU 28 2.405 -5.021 -0.750 205 H ARG 29 H ARG 29 8.062 -4.218 -0.766 206 HA ARG 29 HA ARG 29 8.584 -5.973 -3.007 207 1HB ARG 29 2HB ARG 29 9.510 -3.725 -2.861 208 2HB ARG 29 3HB ARG 29 10.437 -4.140 -1.417 209 1HG ARG 29 2HG ARG 29 11.888 -5.614 -2.641 210 2HG ARG 29 3HG ARG 29 10.835 -5.595 -4.065 211 1HD ARG 29 2HD ARG 29 11.282 -3.180 -4.372 212 2HD ARG 29 3HD ARG 29 12.366 -3.201 -2.964 213 HE ARG 29 HE ARG 29 13.314 -5.204 -4.687 214 1HH1 ARG 29 1HH1 ARG 29 12.960 -1.735 -4.936 215 2HH1 ARG 29 2HH1 ARG 29 14.265 -1.589 -6.084 216 1HH2 ARG 29 1HH2 ARG 29 14.963 -4.962 -6.142 217 2HH2 ARG 29 2HH2 ARG 29 15.368 -3.381 -6.738 218 H ALA 30 H ALA 30 10.043 -5.951 0.271 219 HA ALA 30 HA ALA 30 11.644 -8.255 -0.073 220 1HB ALA 30 1HB ALA 30 11.785 -8.256 2.378 221 2HB ALA 30 2HB ALA 30 11.904 -6.603 1.742 222 3HB ALA 30 3HB ALA 30 10.387 -7.168 2.481 223 H ALA 31 H ALA 31 8.217 -8.103 0.899 224 HA ALA 31 HA ALA 31 7.940 -10.875 1.588 225 1HB ALA 31 1HB ALA 31 5.610 -10.376 1.744 226 2HB ALA 31 2HB ALA 31 6.453 -8.906 2.259 227 3HB ALA 31 3HB ALA 31 5.743 -8.996 0.633 228 H GLY 32 H GLY 32 8.313 -9.443 -1.491 229 1HA GLY 32 2HA GLY 32 8.628 -10.771 -3.442 230 2HA GLY 32 1HA GLY 32 7.426 -11.930 -2.882 231 H PHE 33 H PHE 33 6.274 -8.712 -2.486 232 HA PHE 33 HA PHE 33 4.920 -8.731 -5.152 233 1HB PHE 33 2HB PHE 33 3.542 -8.165 -2.517 234 2HB PHE 33 3HB PHE 33 2.825 -8.151 -4.127 235 HD1 PHE 33 2HD PHE 33 3.053 -10.417 -5.512 236 HD2 PHE 33 1HD PHE 33 3.308 -10.115 -1.215 237 HE1 PHE 33 2HE PHE 33 2.505 -12.831 -5.307 238 HE2 PHE 33 1HE PHE 33 2.752 -12.527 -1.015 239 HZ PHE 33 HZ PHE 33 2.363 -13.890 -3.061 240 HA PRO 34 HA PRO 34 6.775 -4.510 -4.238 241 1HB PRO 34 2HB PRO 34 8.242 -4.257 -6.562 242 2HB PRO 34 3HB PRO 34 8.867 -4.986 -5.061 243 1HG PRO 34 2HG PRO 34 7.711 -6.395 -7.479 244 2HG PRO 34 3HG PRO 34 9.214 -6.788 -6.582 245 1HD PRO 34 2HD PRO 34 6.892 -8.123 -6.142 246 2HD PRO 34 3HD PRO 34 8.007 -7.740 -4.796 247 H GLN 35 H GLN 35 5.034 -6.028 -6.867 248 HA GLN 35 HA GLN 35 4.307 -3.827 -8.444 249 1HB GLN 35 2HB GLN 35 2.368 -5.121 -9.127 250 2HB GLN 35 3HB GLN 35 3.820 -6.117 -9.064 251 1HG GLN 35 2HG GLN 35 3.045 -7.069 -6.866 252 2HG GLN 35 3HG GLN 35 1.588 -6.081 -6.977 253 1HE2 GLN 35 1HE2 GLN 35 -0.180 -7.261 -7.680 254 2HE2 GLN 35 2HE2 GLN 35 -0.054 -8.575 -8.845 255 H TYR 36 H TYR 36 2.869 -4.818 -5.319 256 HA TYR 36 HA TYR 36 0.745 -2.866 -5.376 257 1HB TYR 36 2HB TYR 36 2.085 -4.209 -3.006 258 2HB TYR 36 3HB TYR 36 0.578 -3.304 -2.955 259 HD1 TYR 36 1HD TYR 36 -0.986 -4.267 -5.253 260 HD2 TYR 36 2HD TYR 36 1.573 -6.451 -2.541 261 HE1 TYR 36 1HE TYR 36 -2.242 -6.347 -5.740 262 HE2 TYR 36 2HE TYR 36 0.292 -8.533 -3.028 263 HH TYR 36 HH TYR 36 -2.456 -8.590 -5.322 264 H ALA 37 H ALA 37 3.975 -2.799 -3.799 265 HA ALA 37 HA ALA 37 3.896 -0.154 -2.804 266 1HB ALA 37 1HB ALA 37 6.396 -0.317 -2.926 267 2HB ALA 37 2HB ALA 37 5.612 -1.680 -2.118 268 3HB ALA 37 3HB ALA 37 6.220 -1.861 -3.778 269 H GLN 38 H GLN 38 4.985 -1.253 -6.041 270 HA GLN 38 HA GLN 38 5.700 1.318 -7.054 271 1HB GLN 38 2HB GLN 38 4.811 -1.262 -8.393 272 2HB GLN 38 3HB GLN 38 5.257 0.163 -9.326 273 1HG GLN 38 2HG GLN 38 7.112 -1.181 -7.308 274 2HG GLN 38 3HG GLN 38 7.112 -1.500 -9.042 275 1HE2 GLN 38 1HE2 GLN 38 7.592 0.417 -10.531 276 2HE2 GLN 38 2HE2 GLN 38 8.648 1.663 -9.872 277 H LEU 39 H LEU 39 2.490 -0.064 -6.678 278 HA LEU 39 HA LEU 39 1.178 1.859 -8.443 279 1HB LEU 39 2HB LEU 39 0.432 -0.548 -6.887 280 2HB LEU 39 3HB LEU 39 -0.780 0.715 -6.810 281 HG LEU 39 HG LEU 39 -0.844 0.837 -9.285 282 1HD1 LEU 39 1HD1 LEU 39 1.442 -0.010 -9.820 283 2HD1 LEU 39 2HD1 LEU 39 0.171 -0.902 -10.665 284 3HD1 LEU 39 3HD1 LEU 39 0.956 -1.619 -9.246 285 1HD2 LEU 39 1HD2 LEU 39 -1.243 -1.976 -8.170 286 2HD2 LEU 39 2HD2 LEU 39 -2.008 -1.303 -9.628 287 3HD2 LEU 39 3HD2 LEU 39 -2.401 -0.644 -8.034 288 H TYR 40 H TYR 40 2.596 2.444 -5.486 289 HA TYR 40 HA TYR 40 0.652 4.069 -4.175 290 1HB TYR 40 2HB TYR 40 2.699 3.390 -3.026 291 2HB TYR 40 3HB TYR 40 3.681 4.253 -4.195 292 HD1 TYR 40 1HD TYR 40 0.541 5.341 -2.353 293 HD2 TYR 40 2HD TYR 40 4.782 5.926 -2.970 294 HE1 TYR 40 1HE TYR 40 0.465 7.399 -0.966 295 HE2 TYR 40 2HE TYR 40 4.700 7.959 -1.541 296 HH TYR 40 HH TYR 40 3.387 9.360 -0.306 297 H GLU 41 H GLU 41 3.246 5.129 -6.441 298 HA GLU 41 HA GLU 41 2.411 7.882 -6.433 299 1HB GLU 41 2HB GLU 41 4.106 6.299 -8.405 300 2HB GLU 41 3HB GLU 41 3.856 8.049 -8.489 301 1HG GLU 41 2HG GLU 41 4.792 8.300 -6.197 302 2HG GLU 41 3HG GLU 41 5.106 6.564 -6.138 303 H ASP 42 H ASP 42 1.245 5.168 -8.273 304 HA ASP 42 HA ASP 42 -0.331 6.806 -10.148 305 1HB ASP 42 2HB ASP 42 0.729 4.513 -10.624 306 2HB ASP 42 3HB ASP 42 -0.547 3.821 -9.624 307 H SER 43 H SER 43 -0.636 6.152 -6.935 308 HA SER 43 HA SER 43 -2.181 6.048 -5.352 309 1HB SER 43 2HB SER 43 -2.534 8.341 -6.431 310 2HB SER 43 3HB SER 43 -4.042 7.673 -7.082 311 HG SER 43 HG SER 43 -4.377 8.653 -5.033 312 H GLN 44 H GLN 44 -2.148 3.723 -6.570 313 HA GLN 44 HA GLN 44 -5.012 2.826 -6.573 314 1HB GLN 44 2HB GLN 44 -2.775 1.661 -8.251 315 2HB GLN 44 3HB GLN 44 -4.460 1.111 -8.177 316 1HG GLN 44 2HG GLN 44 -4.951 3.655 -8.826 317 2HG GLN 44 3HG GLN 44 -3.309 3.576 -9.456 318 1HE2 GLN 44 1HE2 GLN 44 -5.893 3.921 -10.908 319 2HE2 GLN 44 2HE2 GLN 44 -5.978 2.557 -12.018 320 H PHE 45 H PHE 45 -3.115 3.007 -4.329 321 HA PHE 45 HA PHE 45 -2.681 0.312 -3.336 322 1HB PHE 45 2HB PHE 45 -2.420 3.072 -2.317 323 2HB PHE 45 3HB PHE 45 -3.025 1.947 -1.124 324 HD1 PHE 45 1HD PHE 45 -0.305 2.073 -3.729 325 HD2 PHE 45 2HD PHE 45 -1.541 0.801 0.182 326 HE1 PHE 45 1HE PHE 45 2.006 1.308 -3.239 327 HE2 PHE 45 2HE PHE 45 0.782 0.017 0.666 328 HZ PHE 45 HZ PHE 45 2.554 0.298 -1.034 329 HA PRO 46 HA PRO 46 -6.806 0.631 -1.050 330 1HB PRO 46 2HB PRO 46 -8.585 2.676 -1.295 331 2HB PRO 46 3HB PRO 46 -7.122 2.787 -0.287 332 1HG PRO 46 2HG PRO 46 -7.487 3.805 -3.119 333 2HG PRO 46 3HG PRO 46 -6.816 4.678 -1.704 334 1HD PRO 46 2HD PRO 46 -5.242 3.447 -3.560 335 2HD PRO 46 3HD PRO 46 -4.788 3.525 -1.832 336 H ILE 47 H ILE 47 -6.800 -1.017 -2.757 337 HA ILE 47 HA ILE 47 -9.274 -0.900 -4.449 338 HB ILE 47 HB ILE 47 -8.139 -2.388 -6.069 339 1HG1 ILE 47 2HG1 ILE 47 -5.477 -1.423 -4.969 340 2HG1 ILE 47 3HG1 ILE 47 -6.140 -2.939 -4.423 341 1HG2 ILE 47 1HG2 ILE 47 -6.921 0.389 -5.756 342 2HG2 ILE 47 2HG2 ILE 47 -7.054 -0.542 -7.259 343 3HG2 ILE 47 3HG2 ILE 47 -8.517 0.029 -6.445 344 1HD1 ILE 47 1HD1 ILE 47 -4.594 -3.331 -6.256 345 2HD1 ILE 47 2HD1 ILE 47 -6.239 -3.798 -6.731 346 3HD1 ILE 47 3HD1 ILE 47 -5.534 -2.276 -7.330 347 H ASN 48 H ASN 48 -10.322 -1.722 -2.610 348 HA ASN 48 HA ASN 48 -11.285 -3.351 -1.307 349 1HB ASN 48 2HB ASN 48 -10.812 -5.053 -3.789 350 2HB ASN 48 3HB ASN 48 -12.012 -5.336 -2.537 351 1HD2 ASN 48 1HD2 ASN 48 -14.039 -4.315 -2.734 352 2HD2 ASN 48 2HD2 ASN 48 -14.363 -3.185 -4.045 353 H ILE 49 H ILE 49 -9.173 -3.144 -0.055 354 HA ILE 49 HA ILE 49 -7.022 -4.884 -0.061 355 HB ILE 49 HB ILE 49 -8.358 -3.836 2.453 356 1HG1 ILE 49 2HG1 ILE 49 -6.230 -2.472 0.735 357 2HG1 ILE 49 3HG1 ILE 49 -7.937 -2.027 0.771 358 1HG2 ILE 49 1HG2 ILE 49 -5.477 -4.672 1.884 359 2HG2 ILE 49 2HG2 ILE 49 -6.034 -3.924 3.392 360 3HG2 ILE 49 3HG2 ILE 49 -6.622 -5.514 2.946 361 1HD1 ILE 49 1HD1 ILE 49 -7.597 -1.782 3.365 362 2HD1 ILE 49 2HD1 ILE 49 -5.880 -1.604 2.911 363 3HD1 ILE 49 3HD1 ILE 49 -7.120 -0.516 2.239 364 H VAL 50 H VAL 50 -10.065 -5.399 1.689 365 HA VAL 50 HA VAL 50 -9.478 -7.962 2.753 366 HB VAL 50 HB VAL 50 -11.238 -6.527 3.602 367 1HG1 VAL 50 1HG1 VAL 50 -13.429 -6.344 2.559 368 2HG1 VAL 50 2HG1 VAL 50 -12.202 -5.663 1.488 369 3HG1 VAL 50 3HG1 VAL 50 -12.884 -7.270 1.149 370 1HG2 VAL 50 1HG2 VAL 50 -12.392 -9.198 2.719 371 2HG2 VAL 50 2HG2 VAL 50 -11.283 -8.959 4.089 372 3HG2 VAL 50 3HG2 VAL 50 -12.888 -8.213 4.108 373 H ALA 51 H ALA 51 -10.646 -7.139 -0.490 374 HA ALA 51 HA ALA 51 -11.293 -9.908 -1.180 375 1HB ALA 51 1HB ALA 51 -10.865 -7.504 -3.001 376 2HB ALA 51 2HB ALA 51 -11.621 -9.048 -3.422 377 3HB ALA 51 3HB ALA 51 -12.417 -7.970 -2.260 378 H VAL 52 H VAL 52 -8.591 -7.653 -2.009 379 HA VAL 52 HA VAL 52 -7.153 -9.629 -3.516 380 HB VAL 52 HB VAL 52 -5.202 -8.178 -3.443 381 1HG1 VAL 52 1HG1 VAL 52 -6.177 -6.282 -4.628 382 2HG1 VAL 52 2HG1 VAL 52 -7.009 -7.779 -5.079 383 3HG1 VAL 52 3HG1 VAL 52 -7.778 -6.636 -3.954 384 1HG2 VAL 52 1HG2 VAL 52 -5.245 -5.975 -2.385 385 2HG2 VAL 52 2HG2 VAL 52 -6.815 -6.338 -1.652 386 3HG2 VAL 52 3HG2 VAL 52 -5.361 -7.235 -1.152 387 H LYS 53 H LYS 53 -6.949 -8.857 -0.045 388 HA LYS 53 HA LYS 53 -4.722 -10.685 0.395 389 1HB LYS 53 2HB LYS 53 -4.836 -10.118 2.620 390 2HB LYS 53 3HB LYS 53 -5.429 -8.667 1.828 391 1HG LYS 53 2HG LYS 53 -7.803 -9.552 2.270 392 2HG LYS 53 3HG LYS 53 -7.043 -10.812 3.255 393 1HD LYS 53 2HD LYS 53 -6.006 -8.965 4.666 394 2HD LYS 53 3HD LYS 53 -6.925 -7.806 3.715 395 1HE LYS 53 2HE LYS 53 -8.089 -8.249 5.800 396 2HE LYS 53 3HE LYS 53 -9.048 -8.838 4.443 397 1HZ LYS 53 1HZ LYS 53 -7.361 -10.562 6.173 398 2HZ LYS 53 2HZ LYS 53 -8.314 -11.089 4.936 399 3HZ LYS 53 3HZ LYS 53 -8.980 -10.436 6.274 400 H ASN 54 H ASN 54 -8.201 -11.134 0.365 401 HA ASN 54 HA ASN 54 -8.111 -13.832 1.512 402 1HB ASN 54 2HB ASN 54 -10.333 -12.151 0.282 403 2HB ASN 54 3HB ASN 54 -10.572 -13.797 0.826 404 1HD2 ASN 54 1HD2 ASN 54 -12.250 -12.482 2.084 405 2HD2 ASN 54 2HD2 ASN 54 -11.722 -12.023 3.698 406 H ASP 55 H ASP 55 -7.095 -12.831 -1.469 407 HA ASP 55 HA ASP 55 -8.255 -14.619 -3.308 408 1HB ASP 55 2HB ASP 55 -6.760 -12.649 -3.762 409 2HB ASP 55 3HB ASP 55 -5.384 -13.626 -3.245 410 H HIS 56 H HIS 56 -6.038 -15.327 -0.767 411 HA HIS 56 HA HIS 56 -4.953 -17.190 -0.030 412 1HB HIS 56 2HB HIS 56 -7.380 -17.398 0.475 413 2HB HIS 56 3HB HIS 56 -7.570 -18.424 -0.941 414 HD1 HIS 56 1HD HIS 56 -8.420 -20.392 0.725 415 HD2 HIS 56 2HD HIS 56 -4.462 -19.038 1.291 416 HE1 HIS 56 1HE HIS 56 -7.286 -22.097 2.242 417 H ASP 57 H ASP 57 -3.786 -16.691 -2.315 418 HA ASP 57 HA ASP 57 -3.325 -19.308 -3.691 419 1HB ASP 57 2HB ASP 57 -4.742 -17.741 -5.001 420 2HB ASP 57 3HB ASP 57 -3.449 -16.545 -4.949 421 H PHE 58 H PHE 58 -1.488 -19.898 -2.748 422 HA PHE 58 HA PHE 58 0.645 -20.042 -2.085 423 1HB PHE 58 2HB PHE 58 1.392 -17.781 -3.938 424 2HB PHE 58 3HB PHE 58 2.392 -19.112 -3.386 425 HD1 PHE 58 1HD PHE 58 1.272 -21.574 -3.962 426 HD2 PHE 58 2HD PHE 58 0.660 -17.907 -6.157 427 HE1 PHE 58 1HE PHE 58 0.625 -22.878 -5.975 428 HE2 PHE 58 2HE PHE 58 0.033 -19.216 -8.165 429 HZ PHE 58 HZ PHE 58 0.006 -21.703 -8.079 430 H LEU 59 H LEU 59 -1.148 -18.031 -0.733 431 HA LEU 59 HA LEU 59 0.945 -16.636 0.910 432 1HB LEU 59 2HB LEU 59 -1.896 -15.833 0.195 433 2HB LEU 59 3HB LEU 59 -1.210 -15.350 1.728 434 HG LEU 59 HG LEU 59 0.797 -14.402 0.398 435 1HD1 LEU 59 1HD1 LEU 59 0.149 -13.549 -1.858 436 2HD1 LEU 59 2HD1 LEU 59 -1.315 -14.549 -1.802 437 3HD1 LEU 59 3HD1 LEU 59 0.292 -15.309 -1.824 438 1HD2 LEU 59 1HD2 LEU 59 -0.396 -12.281 0.083 439 2HD2 LEU 59 2HD2 LEU 59 -0.845 -13.045 1.614 440 3HD2 LEU 59 3HD2 LEU 59 -1.959 -13.120 0.228 441 H GLU 60 H GLU 60 0.252 -16.321 3.185 442 HA GLU 60 HA GLU 60 -1.298 -18.560 4.398 443 1HB GLU 60 2HB GLU 60 1.402 -17.471 5.315 444 2HB GLU 60 3HB GLU 60 0.395 -18.539 6.276 445 1HG GLU 60 2HG GLU 60 1.665 -19.223 3.590 446 2HG GLU 60 3HG GLU 60 2.250 -19.719 5.170 447 H LYS 61 H LYS 61 -2.183 -18.017 6.494 448 HA LYS 61 HA LYS 61 -3.355 -15.441 6.660 449 1HB LYS 61 2HB LYS 61 -4.328 -16.149 8.711 450 2HB LYS 61 3HB LYS 61 -4.249 -17.544 7.644 451 1HG LYS 61 2HG LYS 61 -2.065 -18.187 8.908 452 2HG LYS 61 3HG LYS 61 -2.494 -16.909 10.050 453 1HD LYS 61 2HD LYS 61 -3.296 -18.888 11.029 454 2HD LYS 61 3HD LYS 61 -4.738 -18.103 10.370 455 1HE LYS 61 2HE LYS 61 -4.598 -19.591 8.359 456 2HE LYS 61 3HE LYS 61 -3.140 -20.337 9.024 457 1HZ LYS 61 1HZ LYS 61 -4.484 -21.104 10.917 458 2HZ LYS 61 2HZ LYS 61 -5.088 -21.680 9.515 459 3HZ LYS 61 3HZ LYS 61 -5.833 -20.442 10.274 460 H ASP 62 H ASP 62 -0.345 -16.516 8.006 461 HA ASP 62 HA ASP 62 0.139 -14.238 9.742 462 1HB ASP 62 2HB ASP 62 1.160 -16.490 10.008 463 2HB ASP 62 3HB ASP 62 2.064 -16.248 8.512 464 H LEU 63 H LEU 63 0.580 -14.755 6.297 465 HA LEU 63 HA LEU 63 2.246 -12.332 5.917 466 1HB LEU 63 2HB LEU 63 1.286 -14.621 4.227 467 2HB LEU 63 3HB LEU 63 1.447 -13.085 3.399 468 HG LEU 63 HG LEU 63 3.711 -14.290 5.037 469 1HD1 LEU 63 1HD1 LEU 63 4.656 -15.012 2.866 470 2HD1 LEU 63 2HD1 LEU 63 3.169 -14.495 2.041 471 3HD1 LEU 63 3HD1 LEU 63 3.128 -15.835 3.213 472 1HD2 LEU 63 1HD2 LEU 63 5.100 -12.759 3.673 473 2HD2 LEU 63 2HD2 LEU 63 3.877 -11.854 4.570 474 3HD2 LEU 63 3HD2 LEU 63 3.648 -12.164 2.840 475 H VAL 64 H VAL 64 -1.106 -13.325 5.700 476 HA VAL 64 HA VAL 64 -2.169 -11.060 4.324 477 HB VAL 64 HB VAL 64 -3.384 -13.045 6.261 478 1HG1 VAL 64 1HG1 VAL 64 -4.787 -11.084 6.508 479 2HG1 VAL 64 2HG1 VAL 64 -4.807 -10.851 4.745 480 3HG1 VAL 64 3HG1 VAL 64 -5.612 -12.260 5.472 481 1HG2 VAL 64 1HG2 VAL 64 -4.442 -13.896 4.204 482 2HG2 VAL 64 2HG2 VAL 64 -3.693 -12.594 3.257 483 3HG2 VAL 64 3HG2 VAL 64 -2.689 -13.851 4.001 484 H GLU 65 H GLU 65 -1.451 -11.445 7.782 485 HA GLU 65 HA GLU 65 -2.601 -9.047 8.769 486 1HB GLU 65 2HB GLU 65 -0.477 -10.932 9.660 487 2HB GLU 65 3HB GLU 65 -0.348 -9.317 10.330 488 1HG GLU 65 2HG GLU 65 -2.851 -11.041 10.440 489 2HG GLU 65 3HG GLU 65 -1.653 -10.915 11.728 490 HA PRO 66 HA PRO 66 1.264 -6.433 7.945 491 1HB PRO 66 2HB PRO 66 3.365 -7.347 6.436 492 2HB PRO 66 3HB PRO 66 3.255 -7.503 8.213 493 1HG PRO 66 2HG PRO 66 2.527 -9.574 6.126 494 2HG PRO 66 3HG PRO 66 3.506 -9.795 7.609 495 1HD PRO 66 2HD PRO 66 0.878 -10.447 7.525 496 2HD PRO 66 3HD PRO 66 1.592 -9.699 8.981 497 H LEU 67 H LEU 67 0.417 -8.641 5.196 498 HA LEU 67 HA LEU 67 0.590 -6.730 3.114 499 1HB LEU 67 2HB LEU 67 0.198 -9.096 2.707 500 2HB LEU 67 3HB LEU 67 -1.357 -9.023 3.533 501 HG LEU 67 HG LEU 67 -2.280 -7.576 1.767 502 1HD1 LEU 67 1HD1 LEU 67 -1.017 -7.259 -0.358 503 2HD1 LEU 67 2HD1 LEU 67 0.439 -7.914 0.419 504 3HD1 LEU 67 3HD1 LEU 67 -0.276 -6.386 0.985 505 1HD2 LEU 67 1HD2 LEU 67 -2.412 -10.049 1.584 506 2HD2 LEU 67 2HD2 LEU 67 -0.902 -10.045 0.649 507 3HD2 LEU 67 3HD2 LEU 67 -2.357 -9.258 -0.002 508 H CYS 68 H CYS 68 -2.242 -7.415 5.226 509 HA CYS 68 HA CYS 68 -3.906 -5.312 4.260 510 1HB CYS 68 2HB CYS 68 -4.577 -7.287 5.672 511 2HB CYS 68 3HB CYS 68 -3.821 -6.503 7.069 512 HG CYS 68 HG CYS 68 -6.424 -6.182 7.201 513 H ARG 69 H ARG 69 -1.737 -5.308 7.125 514 HA ARG 69 HA ARG 69 -2.192 -2.590 7.888 515 1HB ARG 69 2HB ARG 69 0.075 -4.533 8.438 516 2HB ARG 69 3HB ARG 69 0.097 -2.878 9.058 517 1HG ARG 69 2HG ARG 69 -2.026 -3.209 10.216 518 2HG ARG 69 3HG ARG 69 -2.149 -4.871 9.605 519 1HD ARG 69 2HD ARG 69 -0.213 -5.568 10.838 520 2HD ARG 69 3HD ARG 69 0.220 -3.896 11.247 521 HE ARG 69 HE ARG 69 -2.313 -4.214 12.329 522 1HH1 ARG 69 1HH1 ARG 69 0.682 -5.938 12.814 523 2HH1 ARG 69 2HH1 ARG 69 0.327 -6.285 14.487 524 1HH2 ARG 69 1HH2 ARG 69 -2.710 -4.658 14.460 525 2HH2 ARG 69 2HH2 ARG 69 -1.553 -5.567 15.388 526 H ARG 70 H ARG 70 0.473 -3.824 5.827 527 HA ARG 70 HA ARG 70 1.685 -1.204 5.486 528 1HB ARG 70 2HB ARG 70 1.901 -3.674 3.707 529 2HB ARG 70 3HB ARG 70 2.875 -2.224 3.566 530 1HG ARG 70 2HG ARG 70 3.046 -4.383 5.652 531 2HG ARG 70 3HG ARG 70 4.276 -3.684 4.632 532 1HD ARG 70 2HD ARG 70 3.873 -1.512 6.083 533 2HD ARG 70 3HD ARG 70 3.107 -2.612 7.208 534 HE ARG 70 HE ARG 70 5.982 -2.494 6.438 535 1HH1 ARG 70 1HH1 ARG 70 3.620 -4.334 8.250 536 2HH1 ARG 70 2HH1 ARG 70 4.847 -5.167 9.165 537 1HH2 ARG 70 1HH2 ARG 70 7.474 -3.558 7.634 538 2HH2 ARG 70 2HH2 ARG 70 6.976 -4.740 8.809 539 H LEU 71 H LEU 71 -0.779 -2.910 3.546 540 HA LEU 71 HA LEU 71 -1.051 -0.821 1.581 541 1HB LEU 71 2HB LEU 71 -3.016 -2.901 2.585 542 2HB LEU 71 3HB LEU 71 -3.378 -1.777 1.282 543 HG LEU 71 HG LEU 71 -1.076 -3.780 1.196 544 1HD1 LEU 71 1HD1 LEU 71 -2.504 -5.016 -0.393 545 2HD1 LEU 71 2HD1 LEU 71 -3.827 -3.861 -0.112 546 3HD1 LEU 71 3HD1 LEU 71 -3.251 -4.915 1.205 547 1HD2 LEU 71 1HD2 LEU 71 -1.157 -3.308 -1.262 548 2HD2 LEU 71 2HD2 LEU 71 -0.572 -1.973 -0.284 549 3HD2 LEU 71 3HD2 LEU 71 -2.235 -1.935 -0.922 550 H ASN 72 H ASN 72 -2.840 -1.367 4.642 551 HA ASN 72 HA ASN 72 -4.414 0.982 4.565 552 1HB ASN 72 2HB ASN 72 -4.716 -1.011 6.059 553 2HB ASN 72 3HB ASN 72 -3.329 -0.478 7.011 554 1HD2 ASN 72 1HD2 ASN 72 -6.685 0.320 6.073 555 2HD2 ASN 72 2HD2 ASN 72 -6.915 1.440 7.411 556 H THR 73 H THR 73 -1.052 0.647 5.535 557 HA THR 73 HA THR 73 -0.703 3.147 6.876 558 HB THR 73 HB THR 73 1.361 1.573 5.288 559 HG1 THR 73 1HG THR 73 0.328 0.466 7.059 560 1HG2 THR 73 1HG2 THR 73 1.662 3.726 7.422 561 2HG2 THR 73 2HG2 THR 73 2.232 3.807 5.738 562 3HG2 THR 73 3HG2 THR 73 2.968 2.661 6.864 563 H LEU 74 H LEU 74 0.028 2.420 3.394 564 HA LEU 74 HA LEU 74 0.574 5.199 2.769 565 1HB LEU 74 2HB LEU 74 -0.034 2.761 1.086 566 2HB LEU 74 3HB LEU 74 0.126 4.339 0.354 567 HG LEU 74 HG LEU 74 2.153 3.212 0.021 568 1HD1 LEU 74 1HD1 LEU 74 2.302 5.640 0.651 569 2HD1 LEU 74 2HD1 LEU 74 3.779 4.706 0.912 570 3HD1 LEU 74 3HD1 LEU 74 2.750 5.144 2.292 571 1HD2 LEU 74 1HD2 LEU 74 2.007 1.581 1.898 572 2HD2 LEU 74 2HD2 LEU 74 2.510 2.865 3.018 573 3HD2 LEU 74 3HD2 LEU 74 3.597 2.336 1.712 574 H ASN 75 H ASN 75 -2.446 3.388 2.859 575 HA ASN 75 HA ASN 75 -4.065 5.056 1.265 576 1HB ASN 75 2HB ASN 75 -4.763 3.508 3.784 577 2HB ASN 75 3HB ASN 75 -5.955 4.330 2.787 578 1HD2 ASN 75 1HD2 ASN 75 -6.384 1.739 3.134 579 2HD2 ASN 75 2HD2 ASN 75 -5.947 0.876 1.660 580 H LYS 76 H LYS 76 -2.835 5.745 4.473 581 HA LYS 76 HA LYS 76 -4.454 7.914 5.284 582 1HB LYS 76 2HB LYS 76 -2.492 6.774 6.512 583 2HB LYS 76 3HB LYS 76 -1.426 7.792 5.548 584 1HG LYS 76 2HG LYS 76 -3.054 9.741 6.529 585 2HG LYS 76 3HG LYS 76 -3.369 8.510 7.746 586 1HD LYS 76 2HD LYS 76 -1.621 9.881 8.595 587 2HD LYS 76 3HD LYS 76 -0.836 8.370 8.099 588 1HE LYS 76 2HE LYS 76 -0.146 9.442 5.957 589 2HE LYS 76 3HE LYS 76 -0.990 10.925 6.421 590 1HZ LYS 76 1HZ LYS 76 1.388 11.058 6.898 591 2HZ LYS 76 2HZ LYS 76 1.314 9.752 7.886 592 3HZ LYS 76 3HZ LYS 76 0.545 11.139 8.294 593 H CYS 77 H CYS 77 -1.776 7.892 2.969 594 HA CYS 77 HA CYS 77 -2.187 10.761 2.294 595 1HB CYS 77 2HB CYS 77 0.120 9.727 2.639 596 2HB CYS 77 3HB CYS 77 -0.133 8.848 1.117 597 HG CYS 77 HG CYS 77 -0.734 11.059 -0.290 598 H ALA 78 H ALA 78 -2.366 7.523 0.686 599 HA ALA 78 HA ALA 78 -3.014 8.509 -1.881 600 1HB ALA 78 1HB ALA 78 -3.615 6.230 -2.420 601 2HB ALA 78 2HB ALA 78 -2.201 6.210 -1.349 602 3HB ALA 78 3HB ALA 78 -3.817 5.820 -0.712 603 H SER 79 H SER 79 -5.174 8.199 0.867 604 HA SER 79 HA SER 79 -7.676 8.408 -0.571 605 1HB SER 79 2HB SER 79 -6.992 9.291 2.260 606 2HB SER 79 3HB SER 79 -8.621 9.135 1.579 607 HG SER 79 HG SER 79 -6.716 7.116 2.114 608 H MET 80 H MET 80 -5.181 10.705 -0.284 609 HA MET 80 HA MET 80 -6.969 12.916 -1.179 610 1HB MET 80 2HB MET 80 -6.371 13.358 1.115 611 2HB MET 80 3HB MET 80 -4.655 13.102 0.782 612 1HG MET 80 2HG MET 80 -4.544 15.053 -0.615 613 2HG MET 80 3HG MET 80 -6.297 15.240 -0.631 614 1HE MET 80 1HE MET 80 -7.526 15.303 2.032 615 2HE MET 80 2HE MET 80 -7.194 16.937 2.647 616 3HE MET 80 3HE MET 80 -7.607 16.702 0.936 617 H LYS 81 H LYS 81 -6.605 12.565 -3.277 618 HA LYS 81 HA LYS 81 -4.237 11.966 -4.679 619 1HB LYS 81 2HB LYS 81 -6.614 11.925 -5.562 620 2HB LYS 81 3HB LYS 81 -6.569 13.684 -5.626 621 1HG LYS 81 2HG LYS 81 -6.083 13.093 -7.825 622 2HG LYS 81 3HG LYS 81 -4.496 13.414 -7.166 623 1HD LYS 81 2HD LYS 81 -4.149 11.424 -8.348 624 2HD LYS 81 3HD LYS 81 -4.365 10.848 -6.701 625 1HE LYS 81 2HE LYS 81 -5.654 9.395 -8.067 626 2HE LYS 81 3HE LYS 81 -6.825 10.439 -7.258 627 1HZ LYS 81 1HZ LYS 81 -7.300 10.213 -9.637 628 2HZ LYS 81 2HZ LYS 81 -5.835 10.800 -10.044 629 3HZ LYS 81 3HZ LYS 81 -6.932 11.767 -9.315 Start of MODEL 18 1 1H MET 1 1H MET 1 -11.207 28.258 6.250 2 2H MET 1 2H MET 1 -10.225 29.559 6.226 3 3H MET 1 3H MET 1 -11.406 29.458 7.350 4 HA MET 1 HA MET 1 -9.291 28.976 8.374 5 1HB MET 1 2HB MET 1 -11.061 26.501 8.070 6 2HB MET 1 3HB MET 1 -9.745 26.666 9.234 7 1HG MET 1 2HG MET 1 -10.895 28.649 10.234 8 2HG MET 1 3HG MET 1 -12.246 28.385 9.130 9 1HE MET 1 1HE MET 1 -11.130 25.707 12.748 10 2HE MET 1 2HE MET 1 -10.037 25.824 11.356 11 3HE MET 1 3HE MET 1 -10.376 27.264 12.346 12 H HIS 2 H HIS 2 -7.522 27.370 8.604 13 HA HIS 2 HA HIS 2 -6.113 26.808 6.161 14 1HB HIS 2 2HB HIS 2 -5.701 25.624 8.936 15 2HB HIS 2 3HB HIS 2 -4.509 25.714 7.642 16 HD1 HIS 2 1HD HIS 2 -4.582 28.769 6.873 17 HD2 HIS 2 2HD HIS 2 -4.826 27.201 10.784 18 HE1 HIS 2 1HE HIS 2 -3.845 30.636 8.439 19 H HIS 3 H HIS 3 -5.251 24.548 5.685 20 HA HIS 3 HA HIS 3 -7.300 22.668 5.039 21 1HB HIS 3 2HB HIS 3 -4.276 22.447 5.218 22 2HB HIS 3 3HB HIS 3 -5.299 21.089 4.758 23 HD1 HIS 3 1HD HIS 3 -6.752 21.391 2.423 24 HD2 HIS 3 2HD HIS 3 -3.783 24.258 3.308 25 HE1 HIS 3 1HE HIS 3 -6.308 22.648 0.256 26 H HIS 4 H HIS 4 -8.398 21.311 6.259 27 HA HIS 4 HA HIS 4 -7.759 20.816 9.051 28 1HB HIS 4 2HB HIS 4 -10.056 21.163 8.178 29 2HB HIS 4 3HB HIS 4 -9.949 19.640 7.299 30 HD1 HIS 4 1HD HIS 4 -9.848 20.911 10.984 31 HD2 HIS 4 2HD HIS 4 -10.621 17.480 8.652 32 HE1 HIS 4 1HE HIS 4 -10.742 19.146 12.588 33 H HIS 5 H HIS 5 -5.669 19.877 8.740 34 HA HIS 5 HA HIS 5 -5.053 17.445 7.461 35 1HB HIS 5 2HB HIS 5 -3.870 18.556 10.035 36 2HB HIS 5 3HB HIS 5 -3.127 17.354 8.984 37 HD1 HIS 5 1HD HIS 5 -3.159 18.613 6.170 38 HD2 HIS 5 2HD HIS 5 -2.589 20.779 9.748 39 HE1 HIS 5 1HE HIS 5 -1.971 20.769 5.521 40 H HIS 6 H HIS 6 -5.841 15.464 7.735 41 HA HIS 6 HA HIS 6 -7.601 14.698 9.836 42 1HB HIS 6 2HB HIS 6 -7.657 13.849 7.512 43 2HB HIS 6 3HB HIS 6 -6.173 12.942 7.804 44 HD1 HIS 6 1HD HIS 6 -9.920 12.844 8.519 45 HD2 HIS 6 2HD HIS 6 -6.372 10.783 9.508 46 HE1 HIS 6 1HE HIS 6 -10.645 10.646 9.584 47 H HIS 7 H HIS 7 -6.755 14.793 11.859 48 HA HIS 7 HA HIS 7 -4.217 13.646 12.632 49 1HB HIS 7 2HB HIS 7 -5.269 15.649 13.654 50 2HB HIS 7 3HB HIS 7 -6.531 14.634 14.339 51 HD1 HIS 7 1HD HIS 7 -5.503 15.770 16.688 52 HD2 HIS 7 2HD HIS 7 -3.085 13.008 14.606 53 HE1 HIS 7 1HE HIS 7 -3.653 15.076 18.294 54 H SER 8 H SER 8 -4.109 11.462 12.241 55 HA SER 8 HA SER 8 -5.988 9.449 12.758 56 1HB SER 8 2HB SER 8 -2.959 9.289 13.001 57 2HB SER 8 3HB SER 8 -4.060 7.917 12.781 58 HG SER 8 HG SER 8 -3.029 8.770 10.824 59 H SER 9 H SER 9 -6.335 7.989 14.444 60 HA SER 9 HA SER 9 -6.195 8.912 17.144 61 1HB SER 9 2HB SER 9 -7.842 7.250 16.241 62 2HB SER 9 3HB SER 9 -6.538 6.049 16.171 63 HG SER 9 HG SER 9 -7.722 7.304 18.434 64 H GLY 10 H GLY 10 -4.685 8.749 18.670 65 1HA GLY 10 2HA GLY 10 -2.925 7.100 19.616 66 2HA GLY 10 1HA GLY 10 -2.085 7.375 18.087 67 H LEU 11 H LEU 11 -3.093 10.310 18.309 68 HA LEU 11 HA LEU 11 -2.189 12.324 18.855 69 1HB LEU 11 2HB LEU 11 -2.000 11.148 21.647 70 2HB LEU 11 3HB LEU 11 -2.083 12.852 21.224 71 HG LEU 11 HG LEU 11 -4.315 10.813 20.833 72 1HD1 LEU 11 1HD1 LEU 11 -4.027 13.144 22.769 73 2HD1 LEU 11 2HD1 LEU 11 -3.889 11.420 23.184 74 3HD1 LEU 11 3HD1 LEU 11 -5.437 12.070 22.615 75 1HD2 LEU 11 1HD2 LEU 11 -4.285 13.821 20.338 76 2HD2 LEU 11 2HD2 LEU 11 -5.730 12.786 20.313 77 3HD2 LEU 11 3HD2 LEU 11 -4.465 12.552 19.102 78 H VAL 12 H VAL 12 -0.368 10.983 17.589 79 HA VAL 12 HA VAL 12 1.802 10.524 17.108 80 HB VAL 12 HB VAL 12 2.573 12.851 18.883 81 1HG1 VAL 12 1HG1 VAL 12 3.848 11.639 16.383 82 2HG1 VAL 12 2HG1 VAL 12 4.429 13.067 17.266 83 3HG1 VAL 12 3HG1 VAL 12 4.485 11.481 18.038 84 1HG2 VAL 12 1HG2 VAL 12 0.820 13.604 17.335 85 2HG2 VAL 12 2HG2 VAL 12 2.393 14.212 16.815 86 3HG2 VAL 12 3HG2 VAL 12 1.661 12.826 15.973 87 HA PRO 13 HA PRO 13 2.311 8.130 21.011 88 1HB PRO 13 2HB PRO 13 2.192 5.590 20.034 89 2HB PRO 13 3HB PRO 13 0.739 6.611 20.246 90 1HG PRO 13 2HG PRO 13 2.341 6.163 17.708 91 2HG PRO 13 3HG PRO 13 0.566 6.045 17.928 92 1HD PRO 13 2HD PRO 13 1.781 8.296 16.961 93 2HD PRO 13 3HD PRO 13 0.326 8.383 17.994 94 H ARG 14 H ARG 14 4.210 8.196 18.159 95 HA ARG 14 HA ARG 14 6.697 7.460 19.623 96 1HB ARG 14 2HB ARG 14 5.556 5.428 18.432 97 2HB ARG 14 3HB ARG 14 6.145 6.132 16.939 98 1HG ARG 14 2HG ARG 14 7.857 5.297 19.338 99 2HG ARG 14 3HG ARG 14 7.560 4.327 17.896 100 1HD ARG 14 2HD ARG 14 8.588 6.194 16.528 101 2HD ARG 14 3HD ARG 14 9.131 6.926 18.041 102 HE ARG 14 HE ARG 14 10.185 4.543 16.711 103 1HH1 ARG 14 1HH1 ARG 14 10.196 6.262 19.760 104 2HH1 ARG 14 2HH1 ARG 14 11.661 5.482 20.292 105 1HH2 ARG 14 1HH2 ARG 14 12.018 3.579 17.444 106 2HH2 ARG 14 2HH2 ARG 14 12.665 4.001 19.003 107 H GLY 15 H GLY 15 5.422 8.473 16.450 108 1HA GLY 15 2HA GLY 15 5.849 10.662 15.545 109 2HA GLY 15 1HA GLY 15 7.414 10.702 16.346 110 H SER 16 H SER 16 7.286 7.690 15.039 111 HA SER 16 HA SER 16 9.021 8.394 12.768 112 1HB SER 16 2HB SER 16 8.272 5.747 14.062 113 2HB SER 16 3HB SER 16 9.365 5.888 12.675 114 HG SER 16 HG SER 16 9.809 7.441 14.998 115 H GLN 17 H GLN 17 5.962 8.757 12.614 116 HA GLN 17 HA GLN 17 4.768 6.838 10.979 117 1HB GLN 17 2HB GLN 17 3.775 8.830 12.248 118 2HB GLN 17 3HB GLN 17 4.166 9.814 10.833 119 1HG GLN 17 2HG GLN 17 2.715 8.337 9.438 120 2HG GLN 17 3HG GLN 17 2.389 7.327 10.853 121 1HE2 GLN 17 1HE2 GLN 17 1.095 8.293 12.662 122 2HE2 GLN 17 2HE2 GLN 17 0.087 9.689 12.296 123 H GLU 18 H GLU 18 6.911 9.437 9.931 124 HA GLU 18 HA GLU 18 6.505 9.076 7.062 125 1HB GLU 18 2HB GLU 18 8.746 10.388 8.655 126 2HB GLU 18 3HB GLU 18 8.572 10.489 6.905 127 1HG GLU 18 2HG GLU 18 6.571 11.565 8.942 128 2HG GLU 18 3HG GLU 18 7.759 12.512 8.066 129 H ILE 19 H ILE 19 8.248 7.207 9.358 130 HA ILE 19 HA ILE 19 10.039 5.970 7.327 131 HB ILE 19 HB ILE 19 9.808 5.466 10.324 132 1HG1 ILE 19 2HG1 ILE 19 12.312 6.283 10.081 133 2HG1 ILE 19 3HG1 ILE 19 11.762 7.031 8.587 134 1HG2 ILE 19 1HG2 ILE 19 11.674 4.257 8.241 135 2HG2 ILE 19 2HG2 ILE 19 11.849 4.080 10.001 136 3HG2 ILE 19 3HG2 ILE 19 10.445 3.399 9.199 137 1HD1 ILE 19 1HD1 ILE 19 11.804 8.603 10.486 138 2HD1 ILE 19 2HD1 ILE 19 10.137 8.407 9.940 139 3HD1 ILE 19 3HD1 ILE 19 10.701 7.562 11.401 140 H GLU 20 H GLU 20 7.140 5.227 9.291 141 HA GLU 20 HA GLU 20 6.737 2.556 8.387 142 1HB GLU 20 2HB GLU 20 4.861 4.719 9.345 143 2HB GLU 20 3HB GLU 20 4.207 3.281 8.578 144 1HG GLU 20 2HG GLU 20 4.137 2.815 10.853 145 2HG GLU 20 3HG GLU 20 5.433 1.837 10.192 146 H ALA 21 H ALA 21 6.092 5.576 6.656 147 HA ALA 21 HA ALA 21 4.742 4.507 4.383 148 1HB ALA 21 1HB ALA 21 4.862 6.901 4.869 149 2HB ALA 21 2HB ALA 21 6.630 6.893 4.678 150 3HB ALA 21 3HB ALA 21 5.587 6.594 3.279 151 H LYS 22 H LYS 22 8.246 5.033 4.879 152 HA LYS 22 HA LYS 22 9.113 3.841 2.369 153 1HB LYS 22 2HB LYS 22 10.574 4.427 4.982 154 2HB LYS 22 3HB LYS 22 11.356 3.746 3.549 155 1HG LYS 22 2HG LYS 22 10.640 5.695 2.202 156 2HG LYS 22 3HG LYS 22 9.913 6.437 3.627 157 1HD LYS 22 2HD LYS 22 12.858 5.684 3.360 158 2HD LYS 22 3HD LYS 22 12.225 7.283 3.005 159 1HE LYS 22 2HE LYS 22 12.015 5.927 5.735 160 2HE LYS 22 3HE LYS 22 13.305 7.029 5.261 161 1HZ LYS 22 1HZ LYS 22 10.423 7.748 5.483 162 2HZ LYS 22 2HZ LYS 22 11.564 8.733 4.840 163 3HZ LYS 22 3HZ LYS 22 11.655 8.293 6.404 164 H GLU 23 H GLU 23 8.869 2.569 5.670 165 HA GLU 23 HA GLU 23 9.781 -0.091 5.123 166 1HB GLU 23 2HB GLU 23 7.895 1.016 7.235 167 2HB GLU 23 3HB GLU 23 8.400 -0.669 7.198 168 1HG GLU 23 2HG GLU 23 10.342 1.675 7.381 169 2HG GLU 23 3HG GLU 23 9.719 0.783 8.765 170 H ALA 24 H ALA 24 6.438 1.264 4.866 171 HA ALA 24 HA ALA 24 5.165 -1.170 4.127 172 1HB ALA 24 1HB ALA 24 3.905 0.854 4.719 173 2HB ALA 24 2HB ALA 24 4.559 1.711 3.313 174 3HB ALA 24 3HB ALA 24 3.468 0.341 3.079 175 H CYS 25 H CYS 25 6.593 1.311 1.998 176 HA CYS 25 HA CYS 25 6.185 -0.017 -0.475 177 1HB CYS 25 2HB CYS 25 6.815 2.378 -0.143 178 2HB CYS 25 3HB CYS 25 8.452 1.871 0.316 179 HG CYS 25 HG CYS 25 8.425 2.818 -2.150 180 H ASP 26 H ASP 26 9.166 -0.061 1.562 181 HA ASP 26 HA ASP 26 10.572 -1.928 -0.087 182 1HB ASP 26 2HB ASP 26 11.601 -0.358 1.539 183 2HB ASP 26 3HB ASP 26 10.947 -1.316 2.869 184 H TRP 27 H TRP 27 8.609 -2.517 2.894 185 HA TRP 27 HA TRP 27 9.166 -5.293 3.101 186 1HB TRP 27 2HB TRP 27 8.164 -4.024 4.923 187 2HB TRP 27 3HB TRP 27 6.697 -3.756 3.967 188 HD1 TRP 27 HD1 TRP 27 8.547 -6.450 5.933 189 HE1 TRP 27 1HE TRP 27 7.016 -8.491 6.289 190 HE3 TRP 27 3HE TRP 27 4.566 -5.012 3.049 191 HZ2 TRP 27 2HZ TRP 27 4.484 -9.430 5.323 192 HZ3 TRP 27 3HZ TRP 27 2.604 -6.510 2.778 193 HH2 TRP 27 HH2 TRP 27 2.556 -8.731 3.887 194 H LEU 28 H LEU 28 6.515 -3.659 1.284 195 HA LEU 28 HA LEU 28 5.169 -6.033 0.474 196 1HB LEU 28 2HB LEU 28 5.463 -3.272 -0.724 197 2HB LEU 28 3HB LEU 28 4.527 -4.509 -1.567 198 HG LEU 28 HG LEU 28 3.941 -3.669 1.300 199 1HD1 LEU 28 1HD1 LEU 28 3.701 -1.720 -0.171 200 2HD1 LEU 28 2HD1 LEU 28 2.119 -2.299 0.378 201 3HD1 LEU 28 3HD1 LEU 28 2.670 -2.657 -1.274 202 1HD2 LEU 28 1HD2 LEU 28 3.003 -5.876 0.570 203 2HD2 LEU 28 2HD2 LEU 28 2.210 -5.062 -0.786 204 3HD2 LEU 28 3HD2 LEU 28 1.747 -4.668 0.881 205 H ARG 29 H ARG 29 8.010 -4.487 -0.979 206 HA ARG 29 HA ARG 29 8.231 -6.390 -3.187 207 1HB ARG 29 2HB ARG 29 10.486 -4.710 -2.000 208 2HB ARG 29 3HB ARG 29 10.431 -5.499 -3.578 209 1HG ARG 29 2HG ARG 29 8.262 -3.986 -3.907 210 2HG ARG 29 3HG ARG 29 8.984 -3.028 -2.625 211 1HD ARG 29 2HD ARG 29 10.274 -3.755 -5.285 212 2HD ARG 29 3HD ARG 29 9.530 -2.210 -4.910 213 HE ARG 29 HE ARG 29 12.186 -3.117 -4.166 214 1HH1 ARG 29 1HH1 ARG 29 9.704 -0.901 -3.079 215 2HH1 ARG 29 2HH1 ARG 29 10.865 0.227 -2.446 216 1HH2 ARG 29 1HH2 ARG 29 13.606 -1.680 -3.296 217 2HH2 ARG 29 2HH2 ARG 29 13.023 -0.239 -2.522 218 H ALA 30 H ALA 30 9.930 -6.167 -0.054 219 HA ALA 30 HA ALA 30 11.455 -8.541 -0.326 220 1HB ALA 30 1HB ALA 30 10.406 -7.208 2.205 221 2HB ALA 30 2HB ALA 30 11.764 -8.349 2.105 222 3HB ALA 30 3HB ALA 30 11.886 -6.759 1.325 223 H ALA 31 H ALA 31 8.135 -8.166 0.879 224 HA ALA 31 HA ALA 31 7.710 -10.867 1.736 225 1HB ALA 31 1HB ALA 31 5.343 -10.143 1.791 226 2HB ALA 31 2HB ALA 31 6.407 -8.924 2.511 227 3HB ALA 31 3HB ALA 31 5.763 -8.683 0.874 228 H GLY 32 H GLY 32 8.184 -9.788 -1.432 229 1HA GLY 32 2HA GLY 32 8.261 -11.196 -3.291 230 2HA GLY 32 1HA GLY 32 7.106 -12.304 -2.553 231 H PHE 33 H PHE 33 6.002 -9.048 -2.404 232 HA PHE 33 HA PHE 33 4.448 -9.314 -4.949 233 1HB PHE 33 2HB PHE 33 3.349 -8.320 -2.311 234 2HB PHE 33 3HB PHE 33 2.487 -8.487 -3.839 235 HD1 PHE 33 1HD PHE 33 2.887 -11.097 -4.864 236 HD2 PHE 33 2HD PHE 33 2.626 -9.875 -0.731 237 HE1 PHE 33 1HE PHE 33 2.125 -13.371 -4.235 238 HE2 PHE 33 2HE PHE 33 1.844 -12.143 -0.117 239 HZ PHE 33 HZ PHE 33 1.602 -13.901 -1.861 240 HA PRO 34 HA PRO 34 6.633 -5.177 -4.573 241 1HB PRO 34 2HB PRO 34 8.052 -5.200 -6.940 242 2HB PRO 34 3HB PRO 34 8.658 -5.945 -5.434 243 1HG PRO 34 2HG PRO 34 7.213 -7.311 -7.719 244 2HG PRO 34 3HG PRO 34 8.735 -7.811 -6.911 245 1HD PRO 34 2HD PRO 34 6.354 -8.899 -6.216 246 2HD PRO 34 3HD PRO 34 7.586 -8.516 -4.974 247 H GLN 35 H GLN 35 4.663 -6.696 -6.982 248 HA GLN 35 HA GLN 35 3.928 -4.591 -8.670 249 1HB GLN 35 2HB GLN 35 1.862 -5.805 -9.043 250 2HB GLN 35 3HB GLN 35 3.233 -6.907 -8.971 251 1HG GLN 35 2HG GLN 35 2.558 -7.425 -6.546 252 2HG GLN 35 3HG GLN 35 1.101 -6.473 -6.831 253 1HE2 GLN 35 1HE2 GLN 35 -0.685 -7.575 -7.715 254 2HE2 GLN 35 2HE2 GLN 35 -0.532 -9.176 -8.429 255 H TYR 36 H TYR 36 2.678 -5.241 -5.365 256 HA TYR 36 HA TYR 36 0.761 -3.083 -5.409 257 1HB TYR 36 2HB TYR 36 2.096 -4.451 -3.053 258 2HB TYR 36 3HB TYR 36 0.670 -3.422 -2.975 259 HD1 TYR 36 2HD TYR 36 -1.079 -4.333 -5.140 260 HD2 TYR 36 1HD TYR 36 1.445 -6.628 -2.489 261 HE1 TYR 36 2HE TYR 36 -2.496 -6.330 -5.518 262 HE2 TYR 36 1HE TYR 36 0.000 -8.626 -2.860 263 HH TYR 36 HH TYR 36 -2.792 -8.560 -5.097 264 H ALA 37 H ALA 37 4.106 -3.290 -4.128 265 HA ALA 37 HA ALA 37 4.297 -0.680 -3.051 266 1HB ALA 37 1HB ALA 37 6.713 -0.997 -3.232 267 2HB ALA 37 2HB ALA 37 5.956 -2.509 -2.711 268 3HB ALA 37 3HB ALA 37 6.491 -2.323 -4.389 269 H GLN 38 H GLN 38 5.111 -1.779 -6.371 270 HA GLN 38 HA GLN 38 5.933 0.744 -7.408 271 1HB GLN 38 2HB GLN 38 4.776 -1.756 -8.691 272 2HB GLN 38 3HB GLN 38 5.282 -0.370 -9.652 273 1HG GLN 38 2HG GLN 38 7.147 -1.801 -7.702 274 2HG GLN 38 3HG GLN 38 7.006 -2.214 -9.405 275 1HE2 GLN 38 1HE2 GLN 38 8.524 0.006 -7.154 276 2HE2 GLN 38 2HE2 GLN 38 9.253 1.001 -8.408 277 H LEU 39 H LEU 39 2.660 -0.545 -7.059 278 HA LEU 39 HA LEU 39 1.354 1.496 -8.656 279 1HB LEU 39 2HB LEU 39 0.387 -0.586 -6.667 280 2HB LEU 39 3HB LEU 39 -0.720 0.516 -7.447 281 HG LEU 39 HG LEU 39 1.129 -1.343 -8.996 282 1HD1 LEU 39 1HD1 LEU 39 -0.463 -2.628 -7.620 283 2HD1 LEU 39 2HD1 LEU 39 -0.872 -2.745 -9.339 284 3HD1 LEU 39 3HD1 LEU 39 -1.812 -1.672 -8.273 285 1HD2 LEU 39 1HD2 LEU 39 -1.353 0.140 -9.925 286 2HD2 LEU 39 2HD2 LEU 39 -0.337 -0.944 -10.886 287 3HD2 LEU 39 3HD2 LEU 39 0.318 0.596 -10.327 288 H TYR 40 H TYR 40 2.820 1.851 -5.626 289 HA TYR 40 HA TYR 40 1.048 3.683 -4.337 290 1HB TYR 40 2HB TYR 40 3.006 2.753 -3.183 291 2HB TYR 40 3HB TYR 40 4.082 3.545 -4.316 292 HD1 TYR 40 2HD TYR 40 1.063 4.856 -2.410 293 HD2 TYR 40 1HD TYR 40 5.321 5.113 -3.117 294 HE1 TYR 40 2HE TYR 40 1.186 6.860 -0.961 295 HE2 TYR 40 1HE TYR 40 5.436 7.103 -1.620 296 HH TYR 40 HH TYR 40 2.503 8.504 -0.109 297 H GLU 41 H GLU 41 3.815 4.429 -6.507 298 HA GLU 41 HA GLU 41 3.273 7.260 -6.564 299 1HB GLU 41 2HB GLU 41 4.970 5.531 -8.406 300 2HB GLU 41 3HB GLU 41 4.982 7.300 -8.357 301 1HG GLU 41 2HG GLU 41 5.642 7.178 -5.924 302 2HG GLU 41 3HG GLU 41 5.796 5.428 -6.089 303 H ASP 42 H ASP 42 1.915 4.672 -8.394 304 HA ASP 42 HA ASP 42 0.714 6.394 -10.482 305 1HB ASP 42 2HB ASP 42 0.510 3.445 -9.776 306 2HB ASP 42 3HB ASP 42 -0.532 4.191 -10.981 307 H SER 43 H SER 43 0.077 6.058 -7.244 308 HA SER 43 HA SER 43 -1.654 6.381 -5.845 309 1HB SER 43 2HB SER 43 -3.027 7.788 -8.162 310 2HB SER 43 3HB SER 43 -3.438 7.935 -6.449 311 HG SER 43 HG SER 43 -1.376 8.839 -6.073 312 H GLN 44 H GLN 44 -1.567 3.881 -7.078 313 HA GLN 44 HA GLN 44 -4.422 3.050 -7.399 314 1HB GLN 44 2HB GLN 44 -1.816 2.080 -8.580 315 2HB GLN 44 3HB GLN 44 -3.261 1.075 -8.637 316 1HG GLN 44 2HG GLN 44 -3.231 3.901 -9.757 317 2HG GLN 44 3HG GLN 44 -2.686 2.504 -10.671 318 1HE2 GLN 44 1HE2 GLN 44 -4.369 2.692 -12.269 319 2HE2 GLN 44 2HE2 GLN 44 -6.031 2.305 -11.832 320 H PHE 45 H PHE 45 -2.602 3.221 -4.864 321 HA PHE 45 HA PHE 45 -2.532 0.606 -3.699 322 1HB PHE 45 2HB PHE 45 -2.221 3.383 -2.786 323 2HB PHE 45 3HB PHE 45 -3.063 2.398 -1.611 324 HD1 PHE 45 1HD PHE 45 -0.203 1.652 -3.975 325 HD2 PHE 45 2HD PHE 45 -1.613 1.769 0.103 326 HE1 PHE 45 1HE PHE 45 1.965 0.750 -3.181 327 HE2 PHE 45 2HE PHE 45 0.572 0.861 0.869 328 HZ PHE 45 HZ PHE 45 2.350 0.337 -0.775 329 HA PRO 46 HA PRO 46 -6.869 1.148 -1.898 330 1HB PRO 46 2HB PRO 46 -8.595 3.145 -2.568 331 2HB PRO 46 3HB PRO 46 -7.264 3.373 -1.407 332 1HG PRO 46 2HG PRO 46 -7.267 4.088 -4.349 333 2HG PRO 46 3HG PRO 46 -6.784 5.107 -2.955 334 1HD PRO 46 2HD PRO 46 -4.983 3.720 -4.449 335 2HD PRO 46 3HD PRO 46 -4.758 3.958 -2.690 336 H ILE 47 H ILE 47 -6.695 -0.679 -3.386 337 HA ILE 47 HA ILE 47 -8.933 -0.760 -5.378 338 HB ILE 47 HB ILE 47 -7.580 -2.336 -6.737 339 1HG1 ILE 47 2HG1 ILE 47 -5.165 -1.305 -5.181 340 2HG1 ILE 47 3HG1 ILE 47 -5.858 -2.895 -4.935 341 1HG2 ILE 47 1HG2 ILE 47 -6.425 0.466 -6.480 342 2HG2 ILE 47 2HG2 ILE 47 -6.410 -0.560 -7.924 343 3HG2 ILE 47 3HG2 ILE 47 -7.942 0.053 -7.299 344 1HD1 ILE 47 1HD1 ILE 47 -3.961 -3.103 -6.399 345 2HD1 ILE 47 2HD1 ILE 47 -5.432 -3.454 -7.329 346 3HD1 ILE 47 3HD1 ILE 47 -4.603 -1.887 -7.516 347 H ASN 48 H ASN 48 -9.879 -1.340 -3.230 348 HA ASN 48 HA ASN 48 -10.828 -2.793 -1.761 349 1HB ASN 48 2HB ASN 48 -12.013 -3.299 -3.850 350 2HB ASN 48 3HB ASN 48 -10.863 -4.590 -4.208 351 1HD2 ASN 48 1HD2 ASN 48 -13.168 -5.652 -4.288 352 2HD2 ASN 48 2HD2 ASN 48 -13.660 -6.384 -2.765 353 H ILE 49 H ILE 49 -8.960 -2.860 -0.441 354 HA ILE 49 HA ILE 49 -6.896 -4.774 -0.517 355 HB ILE 49 HB ILE 49 -8.114 -3.348 1.876 356 1HG1 ILE 49 2HG1 ILE 49 -5.641 -2.691 0.202 357 2HG1 ILE 49 3HG1 ILE 49 -7.196 -1.895 0.020 358 1HG2 ILE 49 1HG2 ILE 49 -5.928 -3.801 3.015 359 2HG2 ILE 49 2HG2 ILE 49 -6.808 -5.277 2.682 360 3HG2 ILE 49 3HG2 ILE 49 -5.446 -4.818 1.641 361 1HD1 ILE 49 1HD1 ILE 49 -7.064 -1.054 2.353 362 2HD1 ILE 49 2HD1 ILE 49 -5.423 -1.733 2.483 363 3HD1 ILE 49 3HD1 ILE 49 -5.762 -0.470 1.298 364 H VAL 50 H VAL 50 -10.175 -5.175 0.746 365 HA VAL 50 HA VAL 50 -9.770 -7.597 2.207 366 HB VAL 50 HB VAL 50 -12.316 -6.756 0.770 367 1HG1 VAL 50 1HG1 VAL 50 -13.433 -8.014 2.600 368 2HG1 VAL 50 2HG1 VAL 50 -12.427 -9.067 1.608 369 3HG1 VAL 50 3HG1 VAL 50 -11.847 -8.537 3.203 370 1HG2 VAL 50 1HG2 VAL 50 -11.590 -4.905 2.219 371 2HG2 VAL 50 2HG2 VAL 50 -12.954 -5.734 2.959 372 3HG2 VAL 50 3HG2 VAL 50 -11.311 -6.036 3.562 373 H ALA 51 H ALA 51 -10.198 -7.082 -1.276 374 HA ALA 51 HA ALA 51 -10.624 -9.842 -1.976 375 1HB ALA 51 1HB ALA 51 -11.163 -7.944 -3.466 376 2HB ALA 51 2HB ALA 51 -9.429 -7.581 -3.635 377 3HB ALA 51 3HB ALA 51 -10.080 -9.113 -4.244 378 H VAL 52 H VAL 52 -7.594 -7.868 -1.841 379 HA VAL 52 HA VAL 52 -5.950 -10.061 -2.730 380 HB VAL 52 HB VAL 52 -4.005 -8.802 -2.201 381 1HG1 VAL 52 1HG1 VAL 52 -5.292 -8.226 -4.242 382 2HG1 VAL 52 2HG1 VAL 52 -6.139 -6.947 -3.345 383 3HG1 VAL 52 3HG1 VAL 52 -4.389 -6.842 -3.597 384 1HG2 VAL 52 1HG2 VAL 52 -5.694 -6.624 -0.949 385 2HG2 VAL 52 2HG2 VAL 52 -4.703 -7.765 -0.012 386 3HG2 VAL 52 3HG2 VAL 52 -3.940 -6.652 -1.157 387 H LYS 53 H LYS 53 -7.081 -9.262 0.481 388 HA LYS 53 HA LYS 53 -5.278 -10.969 1.964 389 1HB LYS 53 2HB LYS 53 -8.181 -10.243 2.584 390 2HB LYS 53 3HB LYS 53 -7.065 -11.054 3.673 391 1HG LYS 53 2HG LYS 53 -5.552 -8.879 3.067 392 2HG LYS 53 3HG LYS 53 -7.144 -8.182 2.816 393 1HD LYS 53 2HD LYS 53 -7.040 -9.665 5.372 394 2HD LYS 53 3HD LYS 53 -5.712 -8.541 5.225 395 1HE LYS 53 2HE LYS 53 -7.281 -7.206 6.234 396 2HE LYS 53 3HE LYS 53 -7.519 -6.780 4.538 397 1HZ LYS 53 1HZ LYS 53 -9.633 -7.218 5.643 398 2HZ LYS 53 2HZ LYS 53 -9.158 -8.698 6.120 399 3HZ LYS 53 3HZ LYS 53 -9.397 -8.401 4.533 400 H ASN 54 H ASN 54 -7.995 -11.769 -0.045 401 HA ASN 54 HA ASN 54 -8.246 -14.522 1.023 402 1HB ASN 54 2HB ASN 54 -9.834 -12.844 -0.965 403 2HB ASN 54 3HB ASN 54 -10.113 -14.567 -0.760 404 1HD2 ASN 54 1HD2 ASN 54 -10.483 -11.390 0.871 405 2HD2 ASN 54 2HD2 ASN 54 -11.468 -12.097 2.143 406 H ASP 55 H ASP 55 -6.156 -13.151 -1.188 407 HA ASP 55 HA ASP 55 -6.324 -14.841 -3.445 408 1HB ASP 55 2HB ASP 55 -5.176 -12.640 -3.272 409 2HB ASP 55 3HB ASP 55 -3.911 -13.393 -2.298 410 H HIS 56 H HIS 56 -4.418 -15.255 -0.503 411 HA HIS 56 HA HIS 56 -2.958 -16.858 0.239 412 1HB HIS 56 2HB HIS 56 -5.333 -17.434 0.841 413 2HB HIS 56 3HB HIS 56 -5.319 -18.627 -0.453 414 HD1 HIS 56 1HD HIS 56 -3.376 -17.875 2.849 415 HD2 HIS 56 2HD HIS 56 -4.388 -21.001 0.205 416 HE1 HIS 56 1HE HIS 56 -2.544 -20.025 3.933 417 H ASP 57 H ASP 57 -1.904 -16.366 -2.136 418 HA ASP 57 HA ASP 57 -1.640 -18.700 -3.841 419 1HB ASP 57 2HB ASP 57 -1.618 -16.395 -4.668 420 2HB ASP 57 3HB ASP 57 -0.115 -16.070 -3.798 421 H PHE 58 H PHE 58 -1.041 -20.062 -1.981 422 HA PHE 58 HA PHE 58 0.340 -21.496 -0.935 423 1HB PHE 58 2HB PHE 58 2.579 -20.570 -2.748 424 2HB PHE 58 3HB PHE 58 2.450 -22.100 -1.908 425 HD1 PHE 58 2HD PHE 58 0.518 -23.704 -2.541 426 HD2 PHE 58 1HD PHE 58 1.700 -20.332 -4.958 427 HE1 PHE 58 2HE PHE 58 -0.596 -24.723 -4.516 428 HE2 PHE 58 1HE PHE 58 0.586 -21.350 -6.925 429 HZ PHE 58 HZ PHE 58 -0.563 -23.549 -6.710 430 H LEU 59 H LEU 59 0.642 -18.346 -0.307 431 HA LEU 59 HA LEU 59 2.987 -18.452 1.496 432 1HB LEU 59 2HB LEU 59 1.137 -16.306 0.460 433 2HB LEU 59 3HB LEU 59 1.870 -16.037 2.018 434 HG LEU 59 HG LEU 59 3.157 -14.946 0.338 435 1HD1 LEU 59 1HD1 LEU 59 4.348 -16.013 2.304 436 2HD1 LEU 59 2HD1 LEU 59 5.354 -15.681 0.885 437 3HD1 LEU 59 3HD1 LEU 59 4.820 -17.335 1.220 438 1HD2 LEU 59 1HD2 LEU 59 2.676 -16.327 -1.617 439 2HD2 LEU 59 2HD2 LEU 59 3.672 -17.646 -0.959 440 3HD2 LEU 59 3HD2 LEU 59 4.417 -16.096 -1.404 441 H GLU 60 H GLU 60 2.794 -17.619 3.709 442 HA GLU 60 HA GLU 60 0.953 -19.199 5.307 443 1HB GLU 60 2HB GLU 60 2.947 -17.006 6.051 444 2HB GLU 60 3HB GLU 60 2.031 -17.961 7.207 445 1HG GLU 60 2HG GLU 60 4.177 -18.929 7.121 446 2HG GLU 60 3HG GLU 60 3.066 -20.047 6.343 447 H LYS 61 H LYS 61 -0.678 -18.512 6.717 448 HA LYS 61 HA LYS 61 -2.321 -16.247 5.993 449 1HB LYS 61 2HB LYS 61 -2.312 -17.983 8.500 450 2HB LYS 61 3HB LYS 61 -3.540 -16.770 8.115 451 1HG LYS 61 2HG LYS 61 -4.001 -17.986 5.954 452 2HG LYS 61 3HG LYS 61 -2.942 -19.288 6.504 453 1HD LYS 61 2HD LYS 61 -5.460 -18.286 7.908 454 2HD LYS 61 3HD LYS 61 -5.369 -19.737 6.923 455 1HE LYS 61 2HE LYS 61 -3.775 -19.297 9.493 456 2HE LYS 61 3HE LYS 61 -5.335 -20.108 9.419 457 1HZ LYS 61 1HZ LYS 61 -4.350 -21.774 7.946 458 2HZ LYS 61 2HZ LYS 61 -3.545 -21.719 9.360 459 3HZ LYS 61 3HZ LYS 61 -2.885 -21.052 8.028 460 H ASP 62 H ASP 62 0.252 -16.570 8.356 461 HA ASP 62 HA ASP 62 -0.270 -14.228 9.892 462 1HB ASP 62 2HB ASP 62 1.278 -16.093 10.491 463 2HB ASP 62 3HB ASP 62 2.411 -15.520 9.267 464 H LEU 63 H LEU 63 1.058 -14.492 6.676 465 HA LEU 63 HA LEU 63 2.332 -11.897 6.533 466 1HB LEU 63 2HB LEU 63 2.636 -14.055 5.064 467 2HB LEU 63 3HB LEU 63 1.195 -13.503 4.220 468 HG LEU 63 HG LEU 63 2.489 -11.281 3.814 469 1HD1 LEU 63 1HD1 LEU 63 4.290 -11.705 5.523 470 2HD1 LEU 63 2HD1 LEU 63 4.938 -11.447 3.892 471 3HD1 LEU 63 3HD1 LEU 63 4.838 -13.089 4.562 472 1HD2 LEU 63 1HD2 LEU 63 3.686 -12.215 1.899 473 2HD2 LEU 63 2HD2 LEU 63 2.108 -13.006 2.081 474 3HD2 LEU 63 3HD2 LEU 63 3.586 -13.842 2.607 475 H VAL 64 H VAL 64 -0.986 -12.892 6.406 476 HA VAL 64 HA VAL 64 -1.992 -10.837 4.642 477 HB VAL 64 HB VAL 64 -3.460 -12.594 6.639 478 1HG1 VAL 64 1HG1 VAL 64 -5.430 -12.175 5.163 479 2HG1 VAL 64 2HG1 VAL 64 -4.889 -10.739 6.036 480 3HG1 VAL 64 3HG1 VAL 64 -4.482 -10.931 4.310 481 1HG2 VAL 64 1HG2 VAL 64 -2.990 -12.902 3.630 482 2HG2 VAL 64 2HG2 VAL 64 -2.258 -13.912 4.893 483 3HG2 VAL 64 3HG2 VAL 64 -4.000 -13.963 4.633 484 H GLU 65 H GLU 65 -1.449 -10.928 8.114 485 HA GLU 65 HA GLU 65 -2.856 -8.516 8.833 486 1HB GLU 65 2HB GLU 65 -0.697 -10.197 10.070 487 2HB GLU 65 3HB GLU 65 -0.903 -8.556 10.679 488 1HG GLU 65 2HG GLU 65 -3.294 -10.405 10.428 489 2HG GLU 65 3HG GLU 65 -2.187 -10.534 11.788 490 HA PRO 66 HA PRO 66 1.055 -5.953 8.095 491 1HB PRO 66 2HB PRO 66 3.239 -6.939 6.756 492 2HB PRO 66 3HB PRO 66 3.030 -6.954 8.529 493 1HG PRO 66 2HG PRO 66 2.456 -9.199 6.589 494 2HG PRO 66 3HG PRO 66 3.339 -9.279 8.142 495 1HD PRO 66 2HD PRO 66 0.727 -9.978 7.950 496 2HD PRO 66 3HD PRO 66 1.340 -9.111 9.386 497 H LEU 67 H LEU 67 0.223 -8.299 5.501 498 HA LEU 67 HA LEU 67 0.397 -6.537 3.276 499 1HB LEU 67 2HB LEU 67 -0.037 -8.933 3.050 500 2HB LEU 67 3HB LEU 67 -1.584 -8.759 3.874 501 HG LEU 67 HG LEU 67 -2.449 -7.383 1.999 502 1HD1 LEU 67 1HD1 LEU 67 0.206 -8.057 0.662 503 2HD1 LEU 67 2HD1 LEU 67 -0.364 -6.430 1.102 504 3HD1 LEU 67 3HD1 LEU 67 -1.206 -7.347 -0.150 505 1HD2 LEU 67 1HD2 LEU 67 -2.633 -9.229 0.380 506 2HD2 LEU 67 2HD2 LEU 67 -2.815 -9.812 2.043 507 3HD2 LEU 67 3HD2 LEU 67 -1.284 -10.068 1.175 508 H CYS 68 H CYS 68 -2.395 -7.039 5.493 509 HA CYS 68 HA CYS 68 -4.020 -4.926 4.446 510 1HB CYS 68 2HB CYS 68 -4.772 -6.765 5.967 511 2HB CYS 68 3HB CYS 68 -3.906 -6.005 7.303 512 HG CYS 68 HG CYS 68 -6.251 -4.621 5.372 513 H ARG 69 H ARG 69 -1.812 -4.901 7.265 514 HA ARG 69 HA ARG 69 -2.173 -2.196 8.017 515 1HB ARG 69 2HB ARG 69 0.221 -4.021 8.401 516 2HB ARG 69 3HB ARG 69 0.083 -2.426 9.139 517 1HG ARG 69 2HG ARG 69 -1.919 -3.069 10.366 518 2HG ARG 69 3HG ARG 69 -1.945 -4.663 9.592 519 1HD ARG 69 2HD ARG 69 0.222 -5.232 10.598 520 2HD ARG 69 3HD ARG 69 0.341 -3.602 11.297 521 HE ARG 69 HE ARG 69 -2.082 -4.988 12.119 522 1HH1 ARG 69 1HH1 ARG 69 1.311 -4.752 12.918 523 2HH1 ARG 69 2HH1 ARG 69 1.051 -5.191 14.584 524 1HH2 ARG 69 1HH2 ARG 69 -2.356 -5.577 14.227 525 2HH2 ARG 69 2HH2 ARG 69 -0.993 -5.632 15.305 526 H ARG 70 H ARG 70 0.527 -3.411 5.970 527 HA ARG 70 HA ARG 70 1.700 -0.808 5.575 528 1HB ARG 70 2HB ARG 70 1.862 -3.294 3.802 529 2HB ARG 70 3HB ARG 70 2.852 -1.862 3.619 530 1HG ARG 70 2HG ARG 70 2.988 -3.949 5.795 531 2HG ARG 70 3HG ARG 70 4.225 -3.384 4.688 532 1HD ARG 70 2HD ARG 70 4.024 -1.111 5.975 533 2HD ARG 70 3HD ARG 70 3.203 -2.052 7.209 534 HE ARG 70 HE ARG 70 6.048 -2.110 6.476 535 1HH1 ARG 70 1HH1 ARG 70 3.609 -3.968 8.148 536 2HH1 ARG 70 2HH1 ARG 70 4.796 -4.921 9.001 537 1HH2 ARG 70 1HH2 ARG 70 7.501 -3.341 7.584 538 2HH2 ARG 70 2HH2 ARG 70 6.939 -4.572 8.670 539 H LEU 71 H LEU 71 -0.749 -2.495 3.634 540 HA LEU 71 HA LEU 71 -0.999 -0.415 1.638 541 1HB LEU 71 2HB LEU 71 -2.950 -2.547 2.566 542 2HB LEU 71 3HB LEU 71 -3.236 -1.461 1.208 543 HG LEU 71 HG LEU 71 -0.903 -3.423 1.358 544 1HD1 LEU 71 1HD1 LEU 71 -3.099 -4.553 1.192 545 2HD1 LEU 71 2HD1 LEU 71 -2.148 -4.735 -0.287 546 3HD1 LEU 71 3HD1 LEU 71 -3.491 -3.571 -0.241 547 1HD2 LEU 71 1HD2 LEU 71 -0.745 -2.987 -1.092 548 2HD2 LEU 71 2HD2 LEU 71 -0.320 -1.594 -0.106 549 3HD2 LEU 71 3HD2 LEU 71 -1.909 -1.656 -0.904 550 H ASN 72 H ASN 72 -2.872 -1.030 4.634 551 HA ASN 72 HA ASN 72 -4.553 1.235 4.550 552 1HB ASN 72 2HB ASN 72 -4.909 -0.700 5.997 553 2HB ASN 72 3HB ASN 72 -3.440 -0.344 6.899 554 1HD2 ASN 72 1HD2 ASN 72 -3.785 0.696 8.825 555 2HD2 ASN 72 2HD2 ASN 72 -5.194 1.700 9.142 556 H THR 73 H THR 73 -1.221 1.043 5.886 557 HA THR 73 HA THR 73 -1.030 3.577 7.095 558 HB THR 73 HB THR 73 1.124 2.156 5.472 559 HG1 THR 73 1HG THR 73 0.490 2.079 8.241 560 1HG2 THR 73 1HG2 THR 73 1.429 4.206 7.714 561 2HG2 THR 73 2HG2 THR 73 1.765 4.505 5.992 562 3HG2 THR 73 3HG2 THR 73 2.732 3.328 6.872 563 H LEU 74 H LEU 74 -0.033 2.853 3.713 564 HA LEU 74 HA LEU 74 0.251 5.678 3.072 565 1HB LEU 74 2HB LEU 74 0.325 3.140 1.421 566 2HB LEU 74 3HB LEU 74 0.627 4.732 0.734 567 HG LEU 74 HG LEU 74 2.273 3.492 2.996 568 1HD1 LEU 74 1HD1 LEU 74 2.633 2.246 0.954 569 2HD1 LEU 74 2HD1 LEU 74 4.039 3.261 1.267 570 3HD1 LEU 74 3HD1 LEU 74 2.865 3.742 0.023 571 1HD2 LEU 74 1HD2 LEU 74 2.594 6.039 1.360 572 2HD2 LEU 74 2HD2 LEU 74 3.894 5.319 2.318 573 3HD2 LEU 74 3HD2 LEU 74 2.432 5.898 3.125 574 H ASN 75 H ASN 75 -2.448 3.487 2.894 575 HA ASN 75 HA ASN 75 -4.127 4.816 1.058 576 1HB ASN 75 2HB ASN 75 -4.419 2.638 2.586 577 2HB ASN 75 3HB ASN 75 -5.256 3.747 3.651 578 1HD2 ASN 75 1HD2 ASN 75 -5.465 1.771 0.877 579 2HD2 ASN 75 2HD2 ASN 75 -7.075 2.294 0.395 580 H LYS 76 H LYS 76 -3.434 5.619 4.433 581 HA LYS 76 HA LYS 76 -5.321 7.681 4.888 582 1HB LYS 76 2HB LYS 76 -3.572 6.470 6.472 583 2HB LYS 76 3HB LYS 76 -2.496 7.767 6.001 584 1HG LYS 76 2HG LYS 76 -3.472 8.506 8.023 585 2HG LYS 76 3HG LYS 76 -4.295 9.408 6.759 586 1HD LYS 76 2HD LYS 76 -6.059 8.826 8.091 587 2HD LYS 76 3HD LYS 76 -6.143 7.506 6.941 588 1HE LYS 76 2HE LYS 76 -4.795 7.399 9.687 589 2HE LYS 76 3HE LYS 76 -6.449 6.894 9.367 590 1HZ LYS 76 1HZ LYS 76 -5.580 5.192 7.847 591 2HZ LYS 76 2HZ LYS 76 -4.994 4.993 9.356 592 3HZ LYS 76 3HZ LYS 76 -4.035 5.623 8.201 593 H CYS 77 H CYS 77 -2.077 7.929 3.500 594 HA CYS 77 HA CYS 77 -2.211 10.774 2.889 595 1HB CYS 77 2HB CYS 77 -0.405 8.553 1.810 596 2HB CYS 77 3HB CYS 77 -0.163 10.293 1.574 597 HG CYS 77 HG CYS 77 0.008 10.919 4.122 598 H ALA 78 H ALA 78 -2.510 7.807 0.868 599 HA ALA 78 HA ALA 78 -2.909 9.079 -1.599 600 1HB ALA 78 1HB ALA 78 -2.276 6.710 -1.270 601 2HB ALA 78 2HB ALA 78 -3.915 6.355 -0.673 602 3HB ALA 78 3HB ALA 78 -3.671 6.869 -2.355 603 H SER 79 H SER 79 -5.327 8.454 0.885 604 HA SER 79 HA SER 79 -7.727 8.876 -0.548 605 1HB SER 79 2HB SER 79 -7.522 8.116 1.810 606 2HB SER 79 3HB SER 79 -7.039 9.755 2.285 607 HG SER 79 HG SER 79 -9.294 9.346 2.593 608 H MET 80 H MET 80 -5.358 11.271 0.569 609 HA MET 80 HA MET 80 -7.109 13.545 -0.185 610 1HB MET 80 2HB MET 80 -5.901 13.389 2.037 611 2HB MET 80 3HB MET 80 -4.389 13.650 1.167 612 1HG MET 80 2HG MET 80 -5.281 15.820 0.325 613 2HG MET 80 3HG MET 80 -6.822 15.484 1.125 614 1HE MET 80 1HE MET 80 -7.145 17.489 2.621 615 2HE MET 80 2HE MET 80 -5.817 18.334 3.451 616 3HE MET 80 3HE MET 80 -5.824 18.218 1.673 617 H LYS 81 H LYS 81 -7.039 13.012 -2.407 618 HA LYS 81 HA LYS 81 -4.781 12.788 -4.087 619 1HB LYS 81 2HB LYS 81 -7.223 12.214 -4.523 620 2HB LYS 81 3HB LYS 81 -7.493 13.902 -4.923 621 1HG LYS 81 2HG LYS 81 -5.390 12.151 -6.281 622 2HG LYS 81 3HG LYS 81 -7.057 12.178 -6.813 623 1HD LYS 81 2HD LYS 81 -5.209 14.597 -6.811 624 2HD LYS 81 3HD LYS 81 -5.548 13.590 -8.199 625 1HE LYS 81 2HE LYS 81 -7.687 15.141 -6.671 626 2HE LYS 81 3HE LYS 81 -6.827 15.766 -8.077 627 1HZ LYS 81 1HZ LYS 81 -8.920 14.777 -8.743 628 2HZ LYS 81 2HZ LYS 81 -8.528 13.332 -8.096 629 3HZ LYS 81 3HZ LYS 81 -7.699 13.909 -9.382 Start of MODEL 19 1 1H MET 1 1H MET 1 3.535 27.327 -3.976 2 2H MET 1 2H MET 1 2.308 26.402 -3.364 3 3H MET 1 3H MET 1 3.114 25.913 -4.729 4 HA MET 1 HA MET 1 4.271 26.074 -2.000 5 1HB MET 1 2HB MET 1 3.556 23.644 -3.699 6 2HB MET 1 3HB MET 1 4.557 23.598 -2.250 7 1HG MET 1 2HG MET 1 2.409 22.931 -1.590 8 2HG MET 1 3HG MET 1 2.668 24.538 -0.920 9 1HE MET 1 1HE MET 1 -0.149 23.038 -0.981 10 2HE MET 1 2HE MET 1 0.100 24.661 -0.296 11 3HE MET 1 3HE MET 1 -1.210 24.380 -1.466 12 H HIS 2 H HIS 2 6.090 27.301 -2.538 13 HA HIS 2 HA HIS 2 7.717 26.668 -4.874 14 1HB HIS 2 2HB HIS 2 9.161 28.466 -4.025 15 2HB HIS 2 3HB HIS 2 7.479 28.952 -4.166 16 HD1 HIS 2 1HD HIS 2 6.324 29.861 -1.947 17 HD2 HIS 2 2HD HIS 2 10.125 28.091 -1.439 18 HE1 HIS 2 1HE HIS 2 7.000 30.299 0.464 19 H HIS 3 H HIS 3 7.853 25.799 -1.454 20 HA HIS 3 HA HIS 3 10.570 24.719 -1.562 21 1HB HIS 3 2HB HIS 3 9.568 25.713 0.485 22 2HB HIS 3 3HB HIS 3 8.385 24.405 0.538 23 HD1 HIS 3 1HD HIS 3 9.397 21.925 1.210 24 HD2 HIS 3 2HD HIS 3 12.049 25.207 1.308 25 HE1 HIS 3 1HE HIS 3 11.484 21.120 2.429 26 H HIS 4 H HIS 4 11.132 22.749 -2.266 27 HA HIS 4 HA HIS 4 9.050 20.679 -2.784 28 1HB HIS 4 2HB HIS 4 10.327 21.463 -4.720 29 2HB HIS 4 3HB HIS 4 11.837 21.006 -3.933 30 HD1 HIS 4 1HD HIS 4 8.533 18.957 -4.535 31 HD2 HIS 4 2HD HIS 4 12.717 18.874 -5.097 32 HE1 HIS 4 1HE HIS 4 9.069 16.695 -5.559 33 H HIS 5 H HIS 5 8.855 19.129 -1.337 34 HA HIS 5 HA HIS 5 10.750 18.470 0.727 35 1HB HIS 5 2HB HIS 5 9.219 16.635 1.220 36 2HB HIS 5 3HB HIS 5 8.338 18.133 0.974 37 HD1 HIS 5 1HD HIS 5 6.459 18.075 -0.912 38 HD2 HIS 5 2HD HIS 5 9.078 14.762 -0.851 39 HE1 HIS 5 1HE HIS 5 5.525 16.392 -2.575 40 H HIS 6 H HIS 6 11.776 16.387 1.060 41 HA HIS 6 HA HIS 6 12.342 14.641 -1.222 42 1HB HIS 6 2HB HIS 6 14.834 14.947 -0.939 43 2HB HIS 6 3HB HIS 6 13.992 16.292 -1.686 44 HD1 HIS 6 1HD HIS 6 13.990 18.629 -0.365 45 HD2 HIS 6 2HD HIS 6 15.845 15.372 1.583 46 HE1 HIS 6 1HE HIS 6 15.263 19.609 1.611 47 H HIS 7 H HIS 7 13.514 12.753 -0.620 48 HA HIS 7 HA HIS 7 13.293 12.002 2.284 49 1HB HIS 7 2HB HIS 7 12.751 10.271 -0.156 50 2HB HIS 7 3HB HIS 7 12.643 9.765 1.527 51 HD1 HIS 7 1HD HIS 7 10.615 11.088 3.003 52 HD2 HIS 7 2HD HIS 7 10.584 11.306 -1.213 53 HE1 HIS 7 1HE HIS 7 8.259 11.785 2.340 54 H SER 8 H SER 8 15.142 11.422 -0.729 55 HA SER 8 HA SER 8 17.243 9.865 0.543 56 1HB SER 8 2HB SER 8 18.432 10.221 -1.590 57 2HB SER 8 3HB SER 8 16.792 9.603 -1.826 58 HG SER 8 HG SER 8 16.352 11.313 -2.956 59 H SER 9 H SER 9 19.471 10.590 0.665 60 HA SER 9 HA SER 9 21.036 11.814 1.735 61 1HB SER 9 2HB SER 9 20.813 12.790 -0.663 62 2HB SER 9 3HB SER 9 20.142 14.217 0.134 63 HG SER 9 HG SER 9 22.721 13.016 0.473 64 H GLY 10 H GLY 10 18.580 11.705 3.194 65 1HA GLY 10 2HA GLY 10 17.913 14.248 4.409 66 2HA GLY 10 1HA GLY 10 17.407 12.656 4.954 67 H LEU 11 H LEU 11 17.907 14.484 6.784 68 HA LEU 11 HA LEU 11 20.354 13.564 8.207 69 1HB LEU 11 2HB LEU 11 20.926 15.636 6.997 70 2HB LEU 11 3HB LEU 11 19.590 16.477 7.779 71 HG LEU 11 HG LEU 11 20.705 16.105 10.012 72 1HD1 LEU 11 1HD1 LEU 11 22.045 14.141 9.531 73 2HD1 LEU 11 2HD1 LEU 11 23.079 15.482 10.038 74 3HD1 LEU 11 3HD1 LEU 11 22.988 15.044 8.310 75 1HD2 LEU 11 1HD2 LEU 11 22.420 17.485 7.901 76 2HD2 LEU 11 2HD2 LEU 11 22.466 17.771 9.658 77 3HD2 LEU 11 3HD2 LEU 11 21.005 18.177 8.735 78 H VAL 12 H VAL 12 19.324 12.452 9.720 79 HA VAL 12 HA VAL 12 17.919 11.793 11.391 80 HB VAL 12 HB VAL 12 18.581 14.497 12.578 81 1HG1 VAL 12 1HG1 VAL 12 18.063 11.748 13.830 82 2HG1 VAL 12 2HG1 VAL 12 18.526 13.217 14.710 83 3HG1 VAL 12 3HG1 VAL 12 16.960 13.137 13.907 84 1HG2 VAL 12 1HG2 VAL 12 20.574 13.342 13.527 85 2HG2 VAL 12 2HG2 VAL 12 20.228 11.930 12.506 86 3HG2 VAL 12 3HG2 VAL 12 20.672 13.490 11.776 87 HA PRO 13 HA PRO 13 14.155 14.001 9.841 88 1HB PRO 13 2HB PRO 13 12.690 11.817 9.061 89 2HB PRO 13 3HB PRO 13 13.958 12.577 8.058 90 1HG PRO 13 2HG PRO 13 14.218 10.148 9.850 91 2HG PRO 13 3HG PRO 13 14.773 10.339 8.158 92 1HD PRO 13 2HD PRO 13 16.448 10.654 10.273 93 2HD PRO 13 3HD PRO 13 16.598 11.680 8.816 94 H ARG 14 H ARG 14 13.453 14.774 11.763 95 HA ARG 14 HA ARG 14 12.523 13.259 14.025 96 1HB ARG 14 2HB ARG 14 13.319 15.603 14.131 97 2HB ARG 14 3HB ARG 14 11.894 16.137 13.227 98 1HG ARG 14 2HG ARG 14 10.415 15.399 15.061 99 2HG ARG 14 3HG ARG 14 11.790 14.659 15.895 100 1HD ARG 14 2HD ARG 14 11.294 16.717 16.992 101 2HD ARG 14 3HD ARG 14 12.835 16.907 16.139 102 HE ARG 14 HE ARG 14 10.663 17.816 14.477 103 1HH1 ARG 14 1HH1 ARG 14 12.423 18.863 17.308 104 2HH1 ARG 14 2HH1 ARG 14 12.074 20.548 17.029 105 1HH2 ARG 14 1HH2 ARG 14 10.247 19.979 14.162 106 2HH2 ARG 14 2HH2 ARG 14 10.866 21.153 15.285 107 H GLY 15 H GLY 15 10.699 12.280 14.426 108 1HA GLY 15 2HA GLY 15 8.386 11.917 14.570 109 2HA GLY 15 1HA GLY 15 8.098 13.120 13.321 110 H SER 16 H SER 16 7.973 9.870 13.997 111 HA SER 16 HA SER 16 8.547 8.747 11.372 112 1HB SER 16 2HB SER 16 8.684 7.480 13.520 113 2HB SER 16 3HB SER 16 6.915 7.504 13.608 114 HG SER 16 HG SER 16 7.709 5.596 12.559 115 H GLN 17 H GLN 17 7.390 10.252 10.116 116 HA GLN 17 HA GLN 17 4.543 9.436 9.644 117 1HB GLN 17 2HB GLN 17 3.956 11.679 8.982 118 2HB GLN 17 3HB GLN 17 4.533 11.642 10.642 119 1HG GLN 17 2HG GLN 17 6.746 12.549 9.872 120 2HG GLN 17 3HG GLN 17 6.103 12.639 8.227 121 1HE2 GLN 17 1HE2 GLN 17 5.936 14.104 11.479 122 2HE2 GLN 17 2HE2 GLN 17 5.017 15.501 10.928 123 H GLU 18 H GLU 18 7.462 10.768 8.020 124 HA GLU 18 HA GLU 18 6.620 9.746 5.389 125 1HB GLU 18 2HB GLU 18 9.345 10.715 6.342 126 2HB GLU 18 3HB GLU 18 8.846 10.442 4.665 127 1HG GLU 18 2HG GLU 18 7.055 12.197 4.981 128 2HG GLU 18 3HG GLU 18 7.751 12.557 6.565 129 H ILE 19 H ILE 19 8.653 8.680 8.049 130 HA ILE 19 HA ILE 19 9.978 6.469 6.831 131 HB ILE 19 HB ILE 19 9.189 6.832 9.747 132 1HG1 ILE 19 2HG1 ILE 19 11.755 7.639 8.295 133 2HG1 ILE 19 3HG1 ILE 19 10.512 8.749 8.867 134 1HG2 ILE 19 1HG2 ILE 19 11.076 5.279 10.227 135 2HG2 ILE 19 2HG2 ILE 19 9.852 4.498 9.254 136 3HG2 ILE 19 3HG2 ILE 19 11.347 5.071 8.482 137 1HD1 ILE 19 1HD1 ILE 19 12.361 7.087 10.596 138 2HD1 ILE 19 2HD1 ILE 19 12.256 8.845 10.450 139 3HD1 ILE 19 3HD1 ILE 19 10.933 7.950 11.221 140 H GLU 20 H GLU 20 6.773 6.717 8.310 141 HA GLU 20 HA GLU 20 5.988 3.995 8.389 142 1HB GLU 20 2HB GLU 20 4.406 6.529 7.797 143 2HB GLU 20 3HB GLU 20 3.656 4.969 8.077 144 1HG GLU 20 2HG GLU 20 5.495 6.234 10.142 145 2HG GLU 20 3HG GLU 20 3.787 6.622 10.030 146 H ALA 21 H ALA 21 5.491 6.320 5.700 147 HA ALA 21 HA ALA 21 4.445 4.468 3.808 148 1HB ALA 21 1HB ALA 21 5.968 7.088 3.420 149 2HB ALA 21 2HB ALA 21 5.042 6.249 2.165 150 3HB ALA 21 3HB ALA 21 4.207 6.897 3.591 151 H LYS 22 H LYS 22 7.801 5.533 4.389 152 HA LYS 22 HA LYS 22 9.071 4.030 2.321 153 1HB LYS 22 2HB LYS 22 10.068 5.908 3.785 154 2HB LYS 22 3HB LYS 22 10.285 4.693 5.039 155 1HG LYS 22 2HG LYS 22 12.371 4.723 3.992 156 2HG LYS 22 3HG LYS 22 11.598 3.325 3.270 157 1HD LYS 22 2HD LYS 22 12.585 4.428 1.429 158 2HD LYS 22 3HD LYS 22 10.892 4.890 1.331 159 1HE LYS 22 2HE LYS 22 12.097 6.882 0.937 160 2HE LYS 22 3HE LYS 22 11.498 7.033 2.589 161 1HZ LYS 22 1HZ LYS 22 13.730 6.307 3.359 162 2HZ LYS 22 2HZ LYS 22 13.857 7.652 2.450 163 3HZ LYS 22 3HZ LYS 22 14.259 6.204 1.818 164 H GLU 23 H GLU 23 8.614 3.141 5.742 165 HA GLU 23 HA GLU 23 9.690 0.508 5.656 166 1HB GLU 23 2HB GLU 23 7.588 1.838 7.404 167 2HB GLU 23 3HB GLU 23 8.035 0.155 7.629 168 1HG GLU 23 2HG GLU 23 10.083 2.407 7.685 169 2HG GLU 23 3HG GLU 23 9.221 1.835 9.113 170 H ALA 24 H ALA 24 6.264 1.537 5.180 171 HA ALA 24 HA ALA 24 5.239 -1.065 4.693 172 1HB ALA 24 1HB ALA 24 3.357 0.231 3.616 173 2HB ALA 24 2HB ALA 24 3.817 0.831 5.224 174 3HB ALA 24 3HB ALA 24 4.352 1.696 3.773 175 H CYS 25 H CYS 25 6.432 1.342 2.325 176 HA CYS 25 HA CYS 25 6.053 -0.197 -0.038 177 1HB CYS 25 2HB CYS 25 6.505 2.251 0.100 178 2HB CYS 25 3HB CYS 25 8.166 1.913 0.607 179 HG CYS 25 HG CYS 25 8.839 0.545 -1.542 180 H ASP 26 H ASP 26 9.039 0.127 1.967 181 HA ASP 26 HA ASP 26 10.586 -1.753 0.471 182 1HB ASP 26 2HB ASP 26 11.505 0.002 1.963 183 2HB ASP 26 3HB ASP 26 10.876 -0.863 3.367 184 H TRP 27 H TRP 27 8.568 -2.216 3.403 185 HA TRP 27 HA TRP 27 9.221 -4.953 3.853 186 1HB TRP 27 2HB TRP 27 8.037 -3.572 5.502 187 2HB TRP 27 3HB TRP 27 6.617 -3.514 4.454 188 HD1 TRP 27 HD1 TRP 27 8.545 -5.786 6.815 189 HE1 TRP 27 1HE TRP 27 7.272 -7.979 7.235 190 HE3 TRP 27 3HE TRP 27 4.722 -5.192 3.445 191 HZ2 TRP 27 2HZ TRP 27 5.036 -9.393 6.093 192 HZ3 TRP 27 3HZ TRP 27 3.061 -7.005 3.107 193 HH2 TRP 27 HH2 TRP 27 3.217 -9.106 4.399 194 H LEU 28 H LEU 28 6.550 -3.559 1.855 195 HA LEU 28 HA LEU 28 5.419 -6.032 1.055 196 1HB LEU 28 2HB LEU 28 5.472 -3.259 -0.116 197 2HB LEU 28 3HB LEU 28 4.766 -4.566 -1.062 198 HG LEU 28 HG LEU 28 3.858 -3.911 1.770 199 1HD1 LEU 28 1HD1 LEU 28 1.947 -2.760 0.725 200 2HD1 LEU 28 2HD1 LEU 28 2.666 -3.003 -0.883 201 3HD1 LEU 28 3HD1 LEU 28 3.477 -1.969 0.315 202 1HD2 LEU 28 1HD2 LEU 28 3.262 -6.198 0.935 203 2HD2 LEU 28 2HD2 LEU 28 2.520 -5.464 -0.492 204 3HD2 LEU 28 3HD2 LEU 28 1.840 -5.163 1.123 205 H ARG 29 H ARG 29 8.171 -4.316 -0.392 206 HA ARG 29 HA ARG 29 8.652 -6.233 -2.508 207 1HB ARG 29 2HB ARG 29 9.660 -4.021 -2.560 208 2HB ARG 29 3HB ARG 29 10.587 -4.341 -1.092 209 1HG ARG 29 2HG ARG 29 11.943 -6.020 -2.204 210 2HG ARG 29 3HG ARG 29 10.870 -6.048 -3.596 211 1HD ARG 29 2HD ARG 29 12.725 -4.840 -4.318 212 2HD ARG 29 3HD ARG 29 11.494 -3.606 -4.011 213 HE ARG 29 HE ARG 29 12.983 -3.830 -1.629 214 1HH1 ARG 29 1HH1 ARG 29 13.713 -2.902 -4.916 215 2HH1 ARG 29 2HH1 ARG 29 15.111 -1.969 -4.449 216 1HH2 ARG 29 1HH2 ARG 29 14.733 -2.597 -1.080 217 2HH2 ARG 29 2HH2 ARG 29 15.683 -1.827 -2.321 218 H ALA 30 H ALA 30 10.241 -5.989 0.700 219 HA ALA 30 HA ALA 30 11.734 -8.391 0.470 220 1HB ALA 30 1HB ALA 30 12.034 -8.160 2.907 221 2HB ALA 30 2HB ALA 30 12.201 -6.595 2.089 222 3HB ALA 30 3HB ALA 30 10.703 -6.984 2.970 223 H ALA 31 H ALA 31 8.405 -7.939 1.569 224 HA ALA 31 HA ALA 31 7.874 -10.548 2.584 225 1HB ALA 31 1HB ALA 31 6.579 -8.535 3.110 226 2HB ALA 31 2HB ALA 31 6.065 -8.381 1.415 227 3HB ALA 31 3HB ALA 31 5.513 -9.749 2.385 228 H GLY 32 H GLY 32 8.412 -9.652 -0.663 229 1HA GLY 32 2HA GLY 32 8.464 -11.167 -2.469 230 2HA GLY 32 1HA GLY 32 7.304 -12.221 -1.659 231 H PHE 33 H PHE 33 6.333 -8.911 -1.674 232 HA PHE 33 HA PHE 33 4.723 -9.229 -4.171 233 1HB PHE 33 2HB PHE 33 3.662 -8.142 -1.546 234 2HB PHE 33 3HB PHE 33 2.802 -8.275 -3.076 235 HD1 PHE 33 2HD PHE 33 2.311 -10.582 -4.055 236 HD2 PHE 33 1HD PHE 33 3.678 -9.984 -0.005 237 HE1 PHE 33 2HE PHE 33 1.454 -12.827 -3.429 238 HE2 PHE 33 1HE PHE 33 2.812 -12.227 0.614 239 HZ PHE 33 HZ PHE 33 1.699 -13.650 -1.097 240 HA PRO 34 HA PRO 34 7.007 -5.099 -3.950 241 1HB PRO 34 2HB PRO 34 8.392 -5.291 -6.329 242 2HB PRO 34 3HB PRO 34 9.012 -5.863 -4.760 243 1HG PRO 34 2HG PRO 34 7.651 -7.484 -6.924 244 2HG PRO 34 3HG PRO 34 9.153 -7.874 -6.023 245 1HD PRO 34 2HD PRO 34 6.765 -8.942 -5.316 246 2HD PRO 34 3HD PRO 34 7.953 -8.439 -4.076 247 H GLN 35 H GLN 35 5.108 -6.795 -6.379 248 HA GLN 35 HA GLN 35 4.470 -4.654 -8.116 249 1HB GLN 35 2HB GLN 35 3.923 -7.067 -8.481 250 2HB GLN 35 3HB GLN 35 2.651 -6.945 -7.255 251 1HG GLN 35 2HG GLN 35 1.534 -5.176 -8.625 252 2HG GLN 35 3HG GLN 35 2.805 -5.323 -9.842 253 1HE2 GLN 35 1HE2 GLN 35 -0.280 -6.517 -8.858 254 2HE2 GLN 35 2HE2 GLN 35 -0.294 -7.894 -9.955 255 H TYR 36 H TYR 36 2.726 -5.671 -5.096 256 HA TYR 36 HA TYR 36 0.776 -3.608 -5.218 257 1HB TYR 36 2HB TYR 36 1.918 -5.037 -2.798 258 2HB TYR 36 3HB TYR 36 0.494 -4.005 -2.770 259 HD1 TYR 36 2HD TYR 36 -0.991 -4.843 -5.250 260 HD2 TYR 36 1HD TYR 36 1.054 -7.147 -2.216 261 HE1 TYR 36 2HE TYR 36 -2.414 -6.797 -5.767 262 HE2 TYR 36 1HE TYR 36 -0.361 -9.116 -2.771 263 HH TYR 36 HH TYR 36 -2.047 -9.936 -4.090 264 H ALA 37 H ALA 37 4.049 -3.488 -3.783 265 HA ALA 37 HA ALA 37 3.847 -0.830 -2.722 266 1HB ALA 37 1HB ALA 37 6.293 -0.871 -2.756 267 2HB ALA 37 2HB ALA 37 5.659 -2.408 -2.156 268 3HB ALA 37 3HB ALA 37 6.292 -2.296 -3.808 269 H GLN 38 H GLN 38 4.913 -1.968 -5.957 270 HA GLN 38 HA GLN 38 5.551 0.581 -7.053 271 1HB GLN 38 2HB GLN 38 4.836 -2.116 -8.223 272 2HB GLN 38 3HB GLN 38 4.963 -0.726 -9.289 273 1HG GLN 38 2HG GLN 38 7.182 -1.581 -7.381 274 2HG GLN 38 3HG GLN 38 7.069 -2.092 -9.068 275 1HE2 GLN 38 1HE2 GLN 38 6.897 -0.188 -10.743 276 2HE2 GLN 38 2HE2 GLN 38 7.881 1.220 -10.353 277 H LEU 39 H LEU 39 2.347 -0.921 -6.752 278 HA LEU 39 HA LEU 39 1.034 0.967 -8.491 279 1HB LEU 39 2HB LEU 39 0.035 -0.894 -6.310 280 2HB LEU 39 3HB LEU 39 -1.026 0.288 -7.000 281 HG LEU 39 HG LEU 39 -1.609 -1.561 -8.175 282 1HD1 LEU 39 1HD1 LEU 39 -1.016 0.276 -9.802 283 2HD1 LEU 39 2HD1 LEU 39 -0.965 -1.350 -10.488 284 3HD1 LEU 39 3HD1 LEU 39 0.542 -0.523 -10.071 285 1HD2 LEU 39 1HD2 LEU 39 1.270 -2.313 -8.683 286 2HD2 LEU 39 2HD2 LEU 39 -0.176 -3.248 -9.127 287 3HD2 LEU 39 3HD2 LEU 39 0.236 -3.034 -7.419 288 H TYR 40 H TYR 40 2.498 1.724 -5.532 289 HA TYR 40 HA TYR 40 0.735 3.800 -4.581 290 1HB TYR 40 2HB TYR 40 2.566 2.969 -3.179 291 2HB TYR 40 3HB TYR 40 3.752 3.500 -4.349 292 HD1 TYR 40 2HD TYR 40 0.700 5.226 -2.914 293 HD2 TYR 40 1HD TYR 40 4.975 5.198 -3.403 294 HE1 TYR 40 2HE TYR 40 0.845 7.436 -1.731 295 HE2 TYR 40 1HE TYR 40 5.123 7.392 -2.192 296 HH TYR 40 HH TYR 40 2.214 9.132 -1.028 297 H GLU 41 H GLU 41 3.589 3.992 -6.735 298 HA GLU 41 HA GLU 41 3.194 6.794 -7.364 299 1HB GLU 41 2HB GLU 41 4.804 4.651 -8.805 300 2HB GLU 41 3HB GLU 41 4.850 6.384 -9.163 301 1HG GLU 41 2HG GLU 41 5.537 6.801 -6.760 302 2HG GLU 41 3HG GLU 41 5.681 5.056 -6.549 303 H ASP 42 H ASP 42 1.816 3.897 -8.712 304 HA ASP 42 HA ASP 42 0.693 5.223 -11.090 305 1HB ASP 42 2HB ASP 42 1.391 2.755 -10.868 306 2HB ASP 42 3HB ASP 42 -0.106 2.536 -9.954 307 H SER 43 H SER 43 -0.084 5.344 -7.843 308 HA SER 43 HA SER 43 -1.820 5.884 -6.553 309 1HB SER 43 2HB SER 43 -1.710 7.840 -8.204 310 2HB SER 43 3HB SER 43 -3.169 7.163 -8.939 311 HG SER 43 HG SER 43 -2.768 8.157 -6.294 312 H GLN 44 H GLN 44 -1.943 3.356 -7.077 313 HA GLN 44 HA GLN 44 -4.857 2.690 -7.325 314 1HB GLN 44 2HB GLN 44 -2.492 1.207 -8.488 315 2HB GLN 44 3HB GLN 44 -4.125 0.558 -8.467 316 1HG GLN 44 2HG GLN 44 -3.268 3.057 -9.956 317 2HG GLN 44 3HG GLN 44 -3.475 1.459 -10.647 318 1HE2 GLN 44 1HE2 GLN 44 -4.873 3.432 -11.855 319 2HE2 GLN 44 2HE2 GLN 44 -6.580 3.281 -11.443 320 H PHE 45 H PHE 45 -3.034 3.036 -4.900 321 HA PHE 45 HA PHE 45 -2.853 0.455 -3.623 322 1HB PHE 45 2HB PHE 45 -2.428 3.237 -2.827 323 2HB PHE 45 3HB PHE 45 -3.241 2.327 -1.570 324 HD1 PHE 45 2HD PHE 45 -0.429 1.791 -4.011 325 HD2 PHE 45 1HD PHE 45 -1.888 1.235 0.001 326 HE1 PHE 45 2HE PHE 45 1.756 0.822 -3.344 327 HE2 PHE 45 1HE PHE 45 0.320 0.288 0.663 328 HZ PHE 45 HZ PHE 45 2.127 0.055 -1.012 329 HA PRO 46 HA PRO 46 -7.077 1.107 -1.577 330 1HB PRO 46 2HB PRO 46 -8.761 3.167 -2.103 331 2HB PRO 46 3HB PRO 46 -7.332 3.351 -1.054 332 1HG PRO 46 2HG PRO 46 -7.558 4.074 -3.987 333 2HG PRO 46 3HG PRO 46 -6.921 5.068 -2.639 334 1HD PRO 46 2HD PRO 46 -5.295 3.605 -4.274 335 2HD PRO 46 3HD PRO 46 -4.926 3.863 -2.544 336 H ILE 47 H ILE 47 -7.022 -0.697 -3.137 337 HA ILE 47 HA ILE 47 -9.425 -0.696 -4.930 338 HB ILE 47 HB ILE 47 -8.264 -2.296 -6.400 339 1HG1 ILE 47 2HG1 ILE 47 -5.668 -1.408 -5.065 340 2HG1 ILE 47 3HG1 ILE 47 -6.409 -2.954 -4.743 341 1HG2 ILE 47 1HG2 ILE 47 -6.926 0.436 -6.224 342 2HG2 ILE 47 2HG2 ILE 47 -7.116 -0.576 -7.669 343 3HG2 ILE 47 3HG2 ILE 47 -8.538 0.125 -6.898 344 1HD1 ILE 47 1HD1 ILE 47 -4.671 -3.255 -6.394 345 2HD1 ILE 47 2HD1 ILE 47 -6.242 -3.566 -7.154 346 3HD1 ILE 47 3HD1 ILE 47 -5.383 -2.033 -7.457 347 H ASN 48 H ASN 48 -10.305 -1.262 -2.801 348 HA ASN 48 HA ASN 48 -11.245 -2.701 -1.300 349 1HB ASN 48 2HB ASN 48 -11.196 -4.574 -3.700 350 2HB ASN 48 3HB ASN 48 -12.151 -4.804 -2.247 351 1HD2 ASN 48 1HD2 ASN 48 -14.259 -4.078 -2.364 352 2HD2 ASN 48 2HD2 ASN 48 -14.787 -2.857 -3.512 353 H ILE 49 H ILE 49 -9.107 -2.554 -0.168 354 HA ILE 49 HA ILE 49 -7.143 -4.565 -0.173 355 HB ILE 49 HB ILE 49 -8.119 -2.845 2.127 356 1HG1 ILE 49 2HG1 ILE 49 -5.663 -2.567 0.329 357 2HG1 ILE 49 3HG1 ILE 49 -7.171 -1.718 0.028 358 1HG2 ILE 49 1HG2 ILE 49 -5.588 -4.547 1.909 359 2HG2 ILE 49 2HG2 ILE 49 -5.904 -3.360 3.191 360 3HG2 ILE 49 3HG2 ILE 49 -6.914 -4.783 3.066 361 1HD1 ILE 49 1HD1 ILE 49 -5.445 -1.337 2.504 362 2HD1 ILE 49 2HD1 ILE 49 -5.593 -0.258 1.115 363 3HD1 ILE 49 3HD1 ILE 49 -6.995 -0.529 2.173 364 H VAL 50 H VAL 50 -10.236 -4.543 1.539 365 HA VAL 50 HA VAL 50 -9.978 -6.943 3.025 366 HB VAL 50 HB VAL 50 -12.532 -5.754 1.903 367 1HG1 VAL 50 1HG1 VAL 50 -12.025 -7.649 4.249 368 2HG1 VAL 50 2HG1 VAL 50 -13.575 -6.852 3.895 369 3HG1 VAL 50 3HG1 VAL 50 -12.920 -8.032 2.762 370 1HG2 VAL 50 1HG2 VAL 50 -11.073 -5.270 4.545 371 2HG2 VAL 50 2HG2 VAL 50 -11.324 -4.077 3.253 372 3HG2 VAL 50 3HG2 VAL 50 -12.706 -4.687 4.159 373 H ALA 51 H ALA 51 -10.777 -6.518 -0.417 374 HA ALA 51 HA ALA 51 -11.638 -9.268 -0.826 375 1HB ALA 51 1HB ALA 51 -10.693 -7.199 -2.862 376 2HB ALA 51 2HB ALA 51 -11.547 -8.714 -3.190 377 3HB ALA 51 3HB ALA 51 -12.370 -7.416 -2.305 378 H VAL 52 H VAL 52 -8.585 -7.496 -1.631 379 HA VAL 52 HA VAL 52 -7.268 -9.859 -2.577 380 HB VAL 52 HB VAL 52 -5.168 -8.657 -2.533 381 1HG1 VAL 52 1HG1 VAL 52 -6.786 -8.302 -4.382 382 2HG1 VAL 52 2HG1 VAL 52 -7.432 -6.877 -3.533 383 3HG1 VAL 52 3HG1 VAL 52 -5.752 -6.893 -4.102 384 1HG2 VAL 52 1HG2 VAL 52 -4.995 -6.319 -1.832 385 2HG2 VAL 52 2HG2 VAL 52 -6.654 -6.368 -1.210 386 3HG2 VAL 52 3HG2 VAL 52 -5.377 -7.340 -0.442 387 H LYS 53 H LYS 53 -7.369 -8.520 0.728 388 HA LYS 53 HA LYS 53 -5.485 -10.490 1.740 389 1HB LYS 53 2HB LYS 53 -5.918 -9.669 3.895 390 2HB LYS 53 3HB LYS 53 -5.976 -8.267 2.830 391 1HG LYS 53 2HG LYS 53 -8.443 -8.390 2.838 392 2HG LYS 53 3HG LYS 53 -8.413 -9.783 3.898 393 1HD LYS 53 2HD LYS 53 -7.316 -7.038 4.606 394 2HD LYS 53 3HD LYS 53 -8.899 -7.650 5.087 395 1HE LYS 53 2HE LYS 53 -6.219 -8.893 5.872 396 2HE LYS 53 3HE LYS 53 -7.184 -7.822 6.894 397 1HZ LYS 53 1HZ LYS 53 -8.960 -9.463 6.857 398 2HZ LYS 53 2HZ LYS 53 -7.582 -10.120 7.434 399 3HZ LYS 53 3HZ LYS 53 -8.079 -10.473 5.917 400 H ASN 54 H ASN 54 -8.713 -10.878 0.794 401 HA ASN 54 HA ASN 54 -9.112 -13.292 2.505 402 1HB ASN 54 2HB ASN 54 -11.007 -11.586 0.846 403 2HB ASN 54 3HB ASN 54 -11.461 -13.150 1.502 404 1HD2 ASN 54 1HD2 ASN 54 -13.087 -11.312 2.339 405 2HD2 ASN 54 2HD2 ASN 54 -12.704 -10.830 3.989 406 H ASP 55 H ASP 55 -7.652 -12.701 -0.393 407 HA ASP 55 HA ASP 55 -8.680 -14.915 -1.973 408 1HB ASP 55 2HB ASP 55 -7.683 -12.850 -2.926 409 2HB ASP 55 3HB ASP 55 -6.120 -13.294 -2.240 410 H HIS 56 H HIS 56 -8.501 -16.305 0.049 411 HA HIS 56 HA HIS 56 -5.948 -17.385 0.853 412 1HB HIS 56 2HB HIS 56 -7.323 -18.819 2.314 413 2HB HIS 56 3HB HIS 56 -7.749 -17.121 2.427 414 HD1 HIS 56 1HD HIS 56 -9.108 -20.197 0.484 415 HD2 HIS 56 2HD HIS 56 -10.302 -16.675 2.455 416 HE1 HIS 56 1HE HIS 56 -11.678 -20.202 0.467 417 H ASP 57 H ASP 57 -5.910 -17.731 -1.800 418 HA ASP 57 HA ASP 57 -6.836 -20.313 -2.738 419 1HB ASP 57 2HB ASP 57 -6.653 -18.278 -4.128 420 2HB ASP 57 3HB ASP 57 -4.897 -18.322 -3.973 421 H PHE 58 H PHE 58 -5.812 -21.371 -0.832 422 HA PHE 58 HA PHE 58 -4.333 -22.777 0.174 423 1HB PHE 58 2HB PHE 58 -3.586 -23.514 -2.668 424 2HB PHE 58 3HB PHE 58 -3.470 -24.532 -1.239 425 HD1 PHE 58 1HD PHE 58 -5.633 -25.209 -0.021 426 HD2 PHE 58 2HD PHE 58 -5.608 -23.399 -3.936 427 HE1 PHE 58 1HE PHE 58 -7.951 -26.015 -0.411 428 HE2 PHE 58 2HE PHE 58 -7.923 -24.203 -4.324 429 HZ PHE 58 HZ PHE 58 -9.097 -25.518 -2.565 430 H LEU 59 H LEU 59 -3.289 -20.362 0.392 431 HA LEU 59 HA LEU 59 -0.337 -20.679 0.122 432 1HB LEU 59 2HB LEU 59 -0.186 -18.313 -0.581 433 2HB LEU 59 3HB LEU 59 -0.932 -19.390 -1.741 434 HG LEU 59 HG LEU 59 -3.175 -18.470 -1.192 435 1HD1 LEU 59 1HD1 LEU 59 -3.325 -16.363 0.072 436 2HD1 LEU 59 2HD1 LEU 59 -1.662 -16.598 0.670 437 3HD1 LEU 59 3HD1 LEU 59 -2.958 -17.739 1.106 438 1HD2 LEU 59 1HD2 LEU 59 -1.091 -16.339 -1.849 439 2HD2 LEU 59 2HD2 LEU 59 -2.822 -16.296 -2.249 440 3HD2 LEU 59 3HD2 LEU 59 -1.774 -17.504 -3.002 441 H GLU 60 H GLU 60 0.778 -18.783 1.282 442 HA GLU 60 HA GLU 60 0.450 -19.334 4.068 443 1HB GLU 60 2HB GLU 60 2.237 -17.389 2.570 444 2HB GLU 60 3HB GLU 60 2.332 -17.694 4.313 445 1HG GLU 60 2HG GLU 60 2.805 -20.076 3.913 446 2HG GLU 60 3HG GLU 60 2.682 -19.836 2.169 447 H LYS 61 H LYS 61 -1.675 -18.587 4.566 448 HA LYS 61 HA LYS 61 -2.673 -15.963 4.514 449 1HB LYS 61 2HB LYS 61 -3.799 -18.178 5.259 450 2HB LYS 61 3HB LYS 61 -3.130 -17.836 6.860 451 1HG LYS 61 2HG LYS 61 -4.308 -15.507 6.605 452 2HG LYS 61 3HG LYS 61 -5.179 -16.247 5.265 453 1HD LYS 61 2HD LYS 61 -5.141 -17.119 8.185 454 2HD LYS 61 3HD LYS 61 -6.480 -16.331 7.363 455 1HE LYS 61 2HE LYS 61 -5.406 -19.112 6.689 456 2HE LYS 61 3HE LYS 61 -6.776 -18.787 7.752 457 1HZ LYS 61 1HZ LYS 61 -6.665 -18.063 4.876 458 2HZ LYS 61 2HZ LYS 61 -7.924 -17.749 5.877 459 3HZ LYS 61 3HZ LYS 61 -7.533 -19.290 5.519 460 H ASP 62 H ASP 62 -0.356 -17.266 6.816 461 HA ASP 62 HA ASP 62 -0.388 -15.210 8.775 462 1HB ASP 62 2HB ASP 62 1.918 -16.955 7.812 463 2HB ASP 62 3HB ASP 62 1.947 -15.963 9.267 464 H LEU 63 H LEU 63 1.092 -15.183 5.570 465 HA LEU 63 HA LEU 63 2.682 -12.770 6.020 466 1HB LEU 63 2HB LEU 63 2.587 -14.882 4.107 467 2HB LEU 63 3HB LEU 63 2.070 -13.473 3.217 468 HG LEU 63 HG LEU 63 4.429 -13.830 2.950 469 1HD1 LEU 63 1HD1 LEU 63 3.699 -11.474 3.034 470 2HD1 LEU 63 2HD1 LEU 63 5.366 -11.698 3.596 471 3HD1 LEU 63 3HD1 LEU 63 4.069 -11.422 4.773 472 1HD2 LEU 63 1HD2 LEU 63 4.773 -13.526 5.963 473 2HD2 LEU 63 2HD2 LEU 63 6.045 -13.765 4.748 474 3HD2 LEU 63 3HD2 LEU 63 4.873 -15.054 5.065 475 H VAL 64 H VAL 64 -0.617 -13.364 5.406 476 HA VAL 64 HA VAL 64 -1.079 -10.977 3.770 477 HB VAL 64 HB VAL 64 -3.024 -13.106 4.724 478 1HG1 VAL 64 1HG1 VAL 64 -4.258 -11.155 4.129 479 2HG1 VAL 64 2HG1 VAL 64 -3.288 -10.909 2.651 480 3HG1 VAL 64 3HG1 VAL 64 -4.377 -12.310 2.801 481 1HG2 VAL 64 1HG2 VAL 64 -1.584 -12.740 2.050 482 2HG2 VAL 64 2HG2 VAL 64 -1.258 -14.032 3.219 483 3HG2 VAL 64 3HG2 VAL 64 -2.816 -13.969 2.403 484 H GLU 65 H GLU 65 -1.385 -11.803 7.145 485 HA GLU 65 HA GLU 65 -3.047 -9.622 8.014 486 1HB GLU 65 2HB GLU 65 -1.036 -11.418 9.312 487 2HB GLU 65 3HB GLU 65 -1.321 -9.857 10.088 488 1HG GLU 65 2HG GLU 65 -3.764 -10.327 10.149 489 2HG GLU 65 3HG GLU 65 -3.467 -11.895 9.388 490 HA PRO 66 HA PRO 66 0.734 -6.789 8.460 491 1HB PRO 66 2HB PRO 66 3.175 -7.415 7.363 492 2HB PRO 66 3HB PRO 66 2.682 -7.817 9.032 493 1HG PRO 66 2HG PRO 66 2.581 -9.619 6.602 494 2HG PRO 66 3HG PRO 66 3.204 -9.989 8.239 495 1HD PRO 66 2HD PRO 66 0.722 -10.729 7.457 496 2HD PRO 66 3HD PRO 66 1.029 -10.151 9.120 497 H LEU 67 H LEU 67 0.435 -8.580 5.399 498 HA LEU 67 HA LEU 67 0.916 -6.459 3.565 499 1HB LEU 67 2HB LEU 67 0.712 -8.745 2.894 500 2HB LEU 67 3HB LEU 67 -0.947 -8.849 3.453 501 HG LEU 67 HG LEU 67 -0.327 -6.797 1.336 502 1HD1 LEU 67 1HD1 LEU 67 0.851 -8.793 0.522 503 2HD1 LEU 67 2HD1 LEU 67 -0.619 -8.514 -0.421 504 3HD1 LEU 67 3HD1 LEU 67 -0.591 -9.793 0.812 505 1HD2 LEU 67 1HD2 LEU 67 -2.646 -8.752 1.770 506 2HD2 LEU 67 2HD2 LEU 67 -2.570 -7.497 0.519 507 3HD2 LEU 67 3HD2 LEU 67 -2.670 -7.040 2.221 508 H CYS 68 H CYS 68 -2.162 -7.330 5.223 509 HA CYS 68 HA CYS 68 -3.716 -5.155 4.214 510 1HB CYS 68 2HB CYS 68 -4.651 -7.122 5.387 511 2HB CYS 68 3HB CYS 68 -3.928 -6.566 6.910 512 HG CYS 68 HG CYS 68 -6.407 -5.938 7.084 513 H ARG 69 H ARG 69 -1.700 -5.330 7.165 514 HA ARG 69 HA ARG 69 -2.171 -2.656 8.104 515 1HB ARG 69 2HB ARG 69 0.160 -4.562 8.536 516 2HB ARG 69 3HB ARG 69 0.202 -2.911 9.124 517 1HG ARG 69 2HG ARG 69 -0.518 -4.181 10.946 518 2HG ARG 69 3HG ARG 69 -1.936 -3.303 10.375 519 1HD ARG 69 2HD ARG 69 -2.731 -5.375 9.233 520 2HD ARG 69 3HD ARG 69 -1.299 -6.232 9.813 521 HE ARG 69 HE ARG 69 -3.691 -5.470 11.338 522 1HH1 ARG 69 1HH1 ARG 69 -0.386 -6.575 11.713 523 2HH1 ARG 69 2HH1 ARG 69 -0.685 -7.182 13.318 524 1HH2 ARG 69 1HH2 ARG 69 -3.992 -6.245 13.379 525 2HH2 ARG 69 2HH2 ARG 69 -2.675 -6.993 14.230 526 H ARG 70 H ARG 70 0.513 -3.780 6.005 527 HA ARG 70 HA ARG 70 1.544 -1.100 5.593 528 1HB ARG 70 2HB ARG 70 1.934 -3.575 3.858 529 2HB ARG 70 3HB ARG 70 2.837 -2.076 3.731 530 1HG ARG 70 2HG ARG 70 3.025 -4.199 5.854 531 2HG ARG 70 3HG ARG 70 4.279 -3.431 4.896 532 1HD ARG 70 2HD ARG 70 3.766 -1.288 6.250 533 2HD ARG 70 3HD ARG 70 2.848 -2.343 7.334 534 HE ARG 70 HE ARG 70 5.311 -3.607 7.053 535 1HH1 ARG 70 1HH1 ARG 70 4.351 -0.481 8.274 536 2HH1 ARG 70 2HH1 ARG 70 5.749 -0.344 9.304 537 1HH2 ARG 70 1HH2 ARG 70 7.085 -3.375 8.358 538 2HH2 ARG 70 2HH2 ARG 70 7.271 -1.944 9.323 539 H LEU 71 H LEU 71 -0.868 -2.912 3.698 540 HA LEU 71 HA LEU 71 -1.150 -0.877 1.660 541 1HB LEU 71 2HB LEU 71 -3.055 -3.017 2.656 542 2HB LEU 71 3HB LEU 71 -3.416 -1.932 1.316 543 HG LEU 71 HG LEU 71 -1.067 -3.874 1.332 544 1HD1 LEU 71 1HD1 LEU 71 -2.397 -5.151 -0.262 545 2HD1 LEU 71 2HD1 LEU 71 -3.727 -3.974 -0.148 546 3HD1 LEU 71 3HD1 LEU 71 -3.294 -4.975 1.256 547 1HD2 LEU 71 1HD2 LEU 71 -1.051 -3.395 -1.119 548 2HD2 LEU 71 2HD2 LEU 71 -0.539 -2.044 -0.113 549 3HD2 LEU 71 3HD2 LEU 71 -2.170 -2.045 -0.834 550 H ASN 72 H ASN 72 -2.630 -1.182 4.883 551 HA ASN 72 HA ASN 72 -4.315 1.158 4.623 552 1HB ASN 72 2HB ASN 72 -4.726 -0.611 6.277 553 2HB ASN 72 3HB ASN 72 -3.206 -0.246 7.084 554 1HD2 ASN 72 1HD2 ASN 72 -3.322 1.188 8.801 555 2HD2 ASN 72 2HD2 ASN 72 -4.674 2.295 9.016 556 H THR 73 H THR 73 -0.876 0.757 5.547 557 HA THR 73 HA THR 73 -0.433 3.220 6.779 558 HB THR 73 HB THR 73 1.574 1.783 5.005 559 HG1 THR 73 1HG THR 73 0.918 1.420 7.746 560 1HG2 THR 73 1HG2 THR 73 2.465 3.915 5.711 561 2HG2 THR 73 2HG2 THR 73 3.164 2.670 6.758 562 3HG2 THR 73 3HG2 THR 73 1.843 3.688 7.364 563 H LEU 74 H LEU 74 0.121 2.567 3.281 564 HA LEU 74 HA LEU 74 0.696 5.332 2.605 565 1HB LEU 74 2HB LEU 74 -0.099 2.902 0.971 566 2HB LEU 74 3HB LEU 74 0.130 4.462 0.227 567 HG LEU 74 HG LEU 74 2.052 3.133 -0.160 568 1HD1 LEU 74 1HD1 LEU 74 2.390 5.581 0.219 569 2HD1 LEU 74 2HD1 LEU 74 3.810 4.596 0.590 570 3HD1 LEU 74 3HD1 LEU 74 2.800 5.236 1.907 571 1HD2 LEU 74 1HD2 LEU 74 3.553 2.297 1.522 572 2HD2 LEU 74 2HD2 LEU 74 1.942 1.637 1.829 573 3HD2 LEU 74 3HD2 LEU 74 2.562 2.968 2.831 574 H ASN 75 H ASN 75 -2.286 3.569 2.953 575 HA ASN 75 HA ASN 75 -4.026 5.124 1.375 576 1HB ASN 75 2HB ASN 75 -4.240 2.975 3.232 577 2HB ASN 75 3HB ASN 75 -5.335 4.214 3.820 578 1HD2 ASN 75 1HD2 ASN 75 -4.630 1.936 1.266 579 2HD2 ASN 75 2HD2 ASN 75 -6.159 2.169 0.418 580 H LYS 76 H LYS 76 -2.709 5.834 4.532 581 HA LYS 76 HA LYS 76 -4.154 8.083 5.420 582 1HB LYS 76 2HB LYS 76 -2.201 6.923 6.542 583 2HB LYS 76 3HB LYS 76 -1.125 7.733 5.392 584 1HG LYS 76 2HG LYS 76 -2.216 9.941 6.296 585 2HG LYS 76 3HG LYS 76 -2.788 8.932 7.626 586 1HD LYS 76 2HD LYS 76 0.105 9.460 6.795 587 2HD LYS 76 3HD LYS 76 -0.740 10.117 8.190 588 1HE LYS 76 2HE LYS 76 0.494 8.481 9.198 589 2HE LYS 76 3HE LYS 76 -1.040 7.634 8.952 590 1HZ LYS 76 1HZ LYS 76 0.878 6.323 8.339 591 2HZ LYS 76 2HZ LYS 76 1.357 7.413 7.213 592 3HZ LYS 76 3HZ LYS 76 -0.037 6.568 7.004 593 H CYS 77 H CYS 77 -1.458 8.039 3.106 594 HA CYS 77 HA CYS 77 -1.704 10.870 2.383 595 1HB CYS 77 2HB CYS 77 0.470 9.627 2.448 596 2HB CYS 77 3HB CYS 77 -0.095 8.600 1.116 597 HG CYS 77 HG CYS 77 0.251 11.910 1.199 598 H ALA 78 H ALA 78 -2.275 7.752 0.670 599 HA ALA 78 HA ALA 78 -3.130 8.861 -1.765 600 1HB ALA 78 1HB ALA 78 -3.884 6.166 -0.589 601 2HB ALA 78 2HB ALA 78 -3.893 6.620 -2.305 602 3HB ALA 78 3HB ALA 78 -2.356 6.552 -1.420 603 H SER 79 H SER 79 -5.094 8.455 1.117 604 HA SER 79 HA SER 79 -7.722 8.728 0.038 605 1HB SER 79 2HB SER 79 -7.197 8.110 2.355 606 2HB SER 79 3HB SER 79 -6.562 9.735 2.664 607 HG SER 79 HG SER 79 -8.779 9.500 3.340 608 H MET 80 H MET 80 -5.217 11.191 0.629 609 HA MET 80 HA MET 80 -7.112 13.387 -0.027 610 1HB MET 80 2HB MET 80 -5.782 13.495 2.076 611 2HB MET 80 3HB MET 80 -4.302 13.595 1.111 612 1HG MET 80 2HG MET 80 -5.155 15.655 0.031 613 2HG MET 80 3HG MET 80 -6.669 15.507 0.937 614 1HE MET 80 1HE MET 80 -5.147 18.197 0.835 615 2HE MET 80 2HE MET 80 -6.605 17.937 1.819 616 3HE MET 80 3HE MET 80 -5.166 18.690 2.543 617 H LYS 81 H LYS 81 -7.315 13.238 -2.170 618 HA LYS 81 HA LYS 81 -5.303 12.998 -4.176 619 1HB LYS 81 2HB LYS 81 -6.992 13.743 -5.744 620 2HB LYS 81 3HB LYS 81 -7.678 12.596 -4.596 621 1HG LYS 81 2HG LYS 81 -8.638 14.561 -3.305 622 2HG LYS 81 3HG LYS 81 -8.015 15.632 -4.578 623 1HD LYS 81 2HD LYS 81 -9.386 14.442 -6.260 624 2HD LYS 81 3HD LYS 81 -10.020 13.370 -4.987 625 1HE LYS 81 2HE LYS 81 -10.908 15.377 -3.787 626 2HE LYS 81 3HE LYS 81 -10.320 16.405 -5.099 627 1HZ LYS 81 1HZ LYS 81 -12.674 15.865 -5.395 628 2HZ LYS 81 2HZ LYS 81 -12.365 14.265 -5.402 629 3HZ LYS 81 3HZ LYS 81 -11.817 15.209 -6.616 Start of MODEL 20 1 1H MET 1 1H MET 1 -31.713 8.716 -2.358 2 2H MET 1 2H MET 1 -31.050 7.228 -2.267 3 3H MET 1 3H MET 1 -31.996 7.613 -3.539 4 HA MET 1 HA MET 1 -29.702 7.638 -4.233 5 1HB MET 1 2HB MET 1 -30.922 10.430 -4.063 6 2HB MET 1 3HB MET 1 -29.544 9.985 -5.070 7 1HG MET 1 2HG MET 1 -30.938 8.399 -6.342 8 2HG MET 1 3HG MET 1 -32.318 8.757 -5.305 9 1HE MET 1 1HE MET 1 -29.632 11.084 -7.220 10 2HE MET 1 2HE MET 1 -30.179 9.814 -8.343 11 3HE MET 1 3HE MET 1 -30.639 11.506 -8.619 12 H HIS 2 H HIS 2 -27.566 8.226 -3.910 13 HA HIS 2 HA HIS 2 -25.684 8.556 -2.740 14 1HB HIS 2 2HB HIS 2 -26.425 10.812 -3.503 15 2HB HIS 2 3HB HIS 2 -27.075 11.114 -1.895 16 HD1 HIS 2 1HD HIS 2 -25.378 12.260 -0.277 17 HD2 HIS 2 2HD HIS 2 -23.613 10.259 -3.543 18 HE1 HIS 2 1HE HIS 2 -22.888 12.802 -0.183 19 H HIS 3 H HIS 3 -27.533 6.912 -1.234 20 HA HIS 3 HA HIS 3 -27.148 7.601 1.609 21 1HB HIS 3 2HB HIS 3 -28.394 5.628 2.098 22 2HB HIS 3 3HB HIS 3 -29.230 6.515 0.836 23 HD1 HIS 3 1HD HIS 3 -29.491 5.209 -1.543 24 HD2 HIS 3 2HD HIS 3 -27.346 3.217 1.488 25 HE1 HIS 3 1HE HIS 3 -29.186 2.821 -2.342 26 H HIS 4 H HIS 4 -26.045 6.219 3.091 27 HA HIS 4 HA HIS 4 -24.208 5.238 3.947 28 1HB HIS 4 2HB HIS 4 -25.720 3.404 3.135 29 2HB HIS 4 3HB HIS 4 -24.666 3.211 1.737 30 HD1 HIS 4 1HD HIS 4 -22.770 1.444 2.120 31 HD2 HIS 4 2HD HIS 4 -24.405 3.072 5.652 32 HE1 HIS 4 1HE HIS 4 -21.716 0.156 4.053 33 H HIS 5 H HIS 5 -23.558 7.132 1.628 34 HA HIS 5 HA HIS 5 -21.123 6.085 0.437 35 1HB HIS 5 2HB HIS 5 -22.687 7.570 -0.754 36 2HB HIS 5 3HB HIS 5 -22.308 8.882 0.362 37 HD1 HIS 5 1HD HIS 5 -20.360 10.408 -0.468 38 HD2 HIS 5 2HD HIS 5 -20.352 6.525 -2.109 39 HE1 HIS 5 1HE HIS 5 -18.433 10.345 -2.142 40 H HIS 6 H HIS 6 -19.992 5.538 2.379 41 HA HIS 6 HA HIS 6 -18.080 7.649 3.129 42 1HB HIS 6 2HB HIS 6 -19.923 7.686 4.862 43 2HB HIS 6 3HB HIS 6 -19.536 6.012 5.249 44 HD1 HIS 6 1HD HIS 6 -18.028 5.933 7.372 45 HD2 HIS 6 2HD HIS 6 -17.476 9.359 4.975 46 HE1 HIS 6 1HE HIS 6 -16.238 7.340 8.531 47 H HIS 7 H HIS 7 -16.110 6.785 4.066 48 HA HIS 7 HA HIS 7 -15.573 3.883 3.636 49 1HB HIS 7 2HB HIS 7 -14.012 6.175 2.392 50 2HB HIS 7 3HB HIS 7 -13.517 4.483 2.392 51 HD1 HIS 7 1HD HIS 7 -15.619 6.877 0.407 52 HD2 HIS 7 2HD HIS 7 -15.217 2.720 1.016 53 HE1 HIS 7 1HE HIS 7 -16.832 5.750 -1.530 54 H SER 8 H SER 8 -15.611 3.786 5.920 55 HA SER 8 HA SER 8 -13.440 5.111 7.452 56 1HB SER 8 2HB SER 8 -15.758 4.967 8.340 57 2HB SER 8 3HB SER 8 -15.599 3.207 8.434 58 HG SER 8 HG SER 8 -14.074 3.433 10.014 59 H SER 9 H SER 9 -11.499 4.189 7.056 60 HA SER 9 HA SER 9 -11.123 1.304 7.690 61 1HB SER 9 2HB SER 9 -11.274 1.585 5.196 62 2HB SER 9 3HB SER 9 -9.846 2.631 5.274 63 HG SER 9 HG SER 9 -10.083 -0.134 5.938 64 H GLY 10 H GLY 10 -9.740 1.147 9.257 65 1HA GLY 10 2HA GLY 10 -7.782 1.348 10.502 66 2HA GLY 10 1HA GLY 10 -7.227 2.662 9.473 67 H LEU 11 H LEU 11 -7.140 2.491 12.345 68 HA LEU 11 HA LEU 11 -8.329 5.083 13.055 69 1HB LEU 11 2HB LEU 11 -10.081 3.306 13.498 70 2HB LEU 11 3HB LEU 11 -8.983 2.572 14.658 71 HG LEU 11 HG LEU 11 -9.117 4.653 16.061 72 1HD1 LEU 11 1HD1 LEU 11 -11.132 5.575 13.970 73 2HD1 LEU 11 2HD1 LEU 11 -9.581 6.358 14.356 74 3HD1 LEU 11 3HD1 LEU 11 -10.870 6.330 15.558 75 1HD2 LEU 11 1HD2 LEU 11 -11.823 3.502 15.290 76 2HD2 LEU 11 2HD2 LEU 11 -11.417 4.334 16.809 77 3HD2 LEU 11 3HD2 LEU 11 -10.670 2.775 16.431 78 H VAL 12 H VAL 12 -5.761 4.839 12.662 79 HA VAL 12 HA VAL 12 -4.616 5.301 15.327 80 HB VAL 12 HB VAL 12 -4.204 3.015 15.220 81 1HG1 VAL 12 1HG1 VAL 12 -2.655 3.285 12.621 82 2HG1 VAL 12 2HG1 VAL 12 -2.869 1.832 13.605 83 3HG1 VAL 12 3HG1 VAL 12 -4.263 2.548 12.790 84 1HG2 VAL 12 1HG2 VAL 12 -2.462 4.462 16.203 85 2HG2 VAL 12 2HG2 VAL 12 -1.833 2.929 15.582 86 3HG2 VAL 12 3HG2 VAL 12 -1.574 4.421 14.663 87 HA PRO 13 HA PRO 13 -2.893 8.398 12.405 88 1HB PRO 13 2HB PRO 13 -3.212 10.586 14.008 89 2HB PRO 13 3HB PRO 13 -4.522 9.938 12.978 90 1HG PRO 13 2HG PRO 13 -4.078 9.465 15.937 91 2HG PRO 13 3HG PRO 13 -5.602 9.890 15.097 92 1HD PRO 13 2HD PRO 13 -4.932 7.326 15.786 93 2HD PRO 13 3HD PRO 13 -5.893 7.692 14.322 94 H ARG 14 H ARG 14 -0.766 9.016 12.463 95 HA ARG 14 HA ARG 14 0.750 9.184 14.997 96 1HB ARG 14 2HB ARG 14 0.724 6.734 13.984 97 2HB ARG 14 3HB ARG 14 1.798 7.400 12.766 98 1HG ARG 14 2HG ARG 14 3.219 6.437 14.372 99 2HG ARG 14 3HG ARG 14 3.304 8.157 14.745 100 1HD ARG 14 2HD ARG 14 1.618 7.824 16.562 101 2HD ARG 14 3HD ARG 14 1.531 6.109 16.172 102 HE ARG 14 HE ARG 14 3.602 7.487 17.695 103 1HH1 ARG 14 1HH1 ARG 14 3.093 4.588 15.796 104 2HH1 ARG 14 2HH1 ARG 14 4.350 3.717 16.632 105 1HH2 ARG 14 1HH2 ARG 14 5.195 6.340 18.694 106 2HH2 ARG 14 2HH2 ARG 14 5.511 4.697 18.224 107 H GLY 15 H GLY 15 2.479 10.576 14.897 108 1HA GLY 15 2HA GLY 15 2.631 12.496 12.763 109 2HA GLY 15 1HA GLY 15 3.747 12.348 14.124 110 H SER 16 H SER 16 4.450 9.571 13.393 111 HA SER 16 HA SER 16 6.657 10.116 11.586 112 1HB SER 16 2HB SER 16 6.474 8.617 13.771 113 2HB SER 16 3HB SER 16 6.040 7.351 12.608 114 HG SER 16 HG SER 16 8.316 7.503 13.012 115 H GLN 17 H GLN 17 3.838 9.977 10.420 116 HA GLN 17 HA GLN 17 3.272 7.667 9.009 117 1HB GLN 17 2HB GLN 17 2.004 9.971 9.314 118 2HB GLN 17 3HB GLN 17 2.780 10.391 7.797 119 1HG GLN 17 2HG GLN 17 0.724 9.560 7.102 120 2HG GLN 17 3HG GLN 17 1.746 8.141 6.901 121 1HE2 GLN 17 1HE2 GLN 17 0.887 6.181 7.905 122 2HE2 GLN 17 2HE2 GLN 17 -0.295 6.297 9.184 123 H GLU 18 H GLU 18 5.453 10.272 7.914 124 HA GLU 18 HA GLU 18 5.928 9.266 5.250 125 1HB GLU 18 2HB GLU 18 7.614 11.040 7.064 126 2HB GLU 18 3HB GLU 18 7.970 10.720 5.364 127 1HG GLU 18 2HG GLU 18 5.794 11.711 4.706 128 2HG GLU 18 3HG GLU 18 5.432 12.055 6.399 129 H ILE 19 H ILE 19 7.435 8.471 8.357 130 HA ILE 19 HA ILE 19 9.640 6.928 7.175 131 HB ILE 19 HB ILE 19 8.632 7.093 10.046 132 1HG1 ILE 19 2HG1 ILE 19 10.784 8.310 10.460 133 2HG1 ILE 19 3HG1 ILE 19 11.064 8.397 8.725 134 1HG2 ILE 19 1HG2 ILE 19 9.818 4.967 9.653 135 2HG2 ILE 19 2HG2 ILE 19 11.160 5.839 8.877 136 3HG2 ILE 19 3HG2 ILE 19 10.828 6.042 10.610 137 1HD1 ILE 19 1HD1 ILE 19 10.180 10.474 9.922 138 2HD1 ILE 19 2HD1 ILE 19 9.324 10.011 8.451 139 3HD1 ILE 19 3HD1 ILE 19 8.619 9.639 10.049 140 H GLU 20 H GLU 20 6.517 6.251 8.787 141 HA GLU 20 HA GLU 20 6.490 3.410 8.464 142 1HB GLU 20 2HB GLU 20 4.205 5.408 8.485 143 2HB GLU 20 3HB GLU 20 4.005 3.652 8.392 144 1HG GLU 20 2HG GLU 20 5.291 3.402 10.514 145 2HG GLU 20 3HG GLU 20 5.387 5.162 10.644 146 H ALA 21 H ALA 21 5.515 5.971 6.141 147 HA ALA 21 HA ALA 21 4.607 4.224 4.136 148 1HB ALA 21 1HB ALA 21 5.855 6.993 3.841 149 2HB ALA 21 2HB ALA 21 4.876 6.168 2.616 150 3HB ALA 21 3HB ALA 21 4.140 6.642 4.156 151 H LYS 22 H LYS 22 7.924 5.355 4.721 152 HA LYS 22 HA LYS 22 9.129 4.129 2.391 153 1HB LYS 22 2HB LYS 22 10.273 4.945 5.091 154 2HB LYS 22 3HB LYS 22 11.246 4.198 3.818 155 1HG LYS 22 2HG LYS 22 10.581 5.992 2.235 156 2HG LYS 22 3HG LYS 22 9.685 6.803 3.520 157 1HD LYS 22 2HD LYS 22 12.681 6.225 3.582 158 2HD LYS 22 3HD LYS 22 11.956 7.753 3.067 159 1HE LYS 22 2HE LYS 22 10.919 8.038 5.299 160 2HE LYS 22 3HE LYS 22 11.656 6.523 5.840 161 1HZ LYS 22 1HZ LYS 22 13.002 8.454 6.486 162 2HZ LYS 22 2HZ LYS 22 13.176 8.911 4.930 163 3HZ LYS 22 3HZ LYS 22 13.846 7.516 5.451 164 H GLU 23 H GLU 23 8.909 2.882 5.761 165 HA GLU 23 HA GLU 23 10.017 0.327 4.995 166 1HB GLU 23 2HB GLU 23 9.372 -0.536 7.129 167 2HB GLU 23 3HB GLU 23 10.147 1.035 7.298 168 1HG GLU 23 2HG GLU 23 8.072 2.110 7.802 169 2HG GLU 23 3HG GLU 23 7.119 0.699 7.324 170 H ALA 24 H ALA 24 6.665 1.469 4.862 171 HA ALA 24 HA ALA 24 5.430 -1.062 4.464 172 1HB ALA 24 1HB ALA 24 3.619 0.287 3.392 173 2HB ALA 24 2HB ALA 24 4.152 0.976 4.936 174 3HB ALA 24 3HB ALA 24 4.683 1.700 3.406 175 H CYS 25 H CYS 25 6.484 1.253 1.916 176 HA CYS 25 HA CYS 25 6.060 -0.559 -0.266 177 1HB CYS 25 2HB CYS 25 7.821 1.902 0.072 178 2HB CYS 25 3HB CYS 25 7.693 1.006 -1.455 179 HG CYS 25 HG CYS 25 5.220 2.320 0.337 180 H ASP 26 H ASP 26 8.995 0.012 1.710 181 HA ASP 26 HA ASP 26 10.717 -1.741 0.248 182 1HB ASP 26 2HB ASP 26 11.455 -0.021 1.869 183 2HB ASP 26 3HB ASP 26 10.789 -0.984 3.190 184 H TRP 27 H TRP 27 8.693 -2.431 3.170 185 HA TRP 27 HA TRP 27 9.450 -5.154 3.445 186 1HB TRP 27 2HB TRP 27 8.297 -3.878 5.197 187 2HB TRP 27 3HB TRP 27 6.841 -3.800 4.203 188 HD1 TRP 27 HD1 TRP 27 8.874 -6.144 6.393 189 HE1 TRP 27 1HE TRP 27 7.603 -8.350 6.804 190 HE3 TRP 27 3HE TRP 27 4.883 -5.400 3.260 191 HZ2 TRP 27 2HZ TRP 27 5.291 -9.688 5.764 192 HZ3 TRP 27 3HZ TRP 27 3.177 -7.184 2.969 193 HH2 TRP 27 HH2 TRP 27 3.369 -9.327 4.197 194 H LEU 28 H LEU 28 6.778 -3.747 1.514 195 HA LEU 28 HA LEU 28 5.527 -6.170 0.746 196 1HB LEU 28 2HB LEU 28 5.828 -3.502 -0.668 197 2HB LEU 28 3HB LEU 28 4.867 -4.806 -1.354 198 HG LEU 28 HG LEU 28 4.324 -3.716 1.438 199 1HD1 LEU 28 1HD1 LEU 28 4.102 -1.872 -0.158 200 2HD1 LEU 28 2HD1 LEU 28 2.511 -2.392 0.410 201 3HD1 LEU 28 3HD1 LEU 28 3.073 -2.871 -1.209 202 1HD2 LEU 28 1HD2 LEU 28 3.334 -5.922 0.961 203 2HD2 LEU 28 2HD2 LEU 28 2.594 -5.284 -0.518 204 3HD2 LEU 28 3HD2 LEU 28 2.096 -4.667 1.071 205 H ARG 29 H ARG 29 8.444 -4.710 -0.627 206 HA ARG 29 HA ARG 29 8.696 -6.596 -2.834 207 1HB ARG 29 2HB ARG 29 11.016 -5.110 -1.547 208 2HB ARG 29 3HB ARG 29 10.886 -5.753 -3.180 209 1HG ARG 29 2HG ARG 29 8.776 -3.988 -3.182 210 2HG ARG 29 3HG ARG 29 9.846 -3.204 -2.018 211 1HD ARG 29 2HD ARG 29 10.465 -3.951 -4.896 212 2HD ARG 29 3HD ARG 29 10.195 -2.324 -4.254 213 HE ARG 29 HE ARG 29 12.367 -3.378 -2.804 214 1HH1 ARG 29 1HH1 ARG 29 11.757 -2.528 -6.135 215 2HH1 ARG 29 2HH1 ARG 29 13.446 -2.284 -6.490 216 1HH2 ARG 29 1HH2 ARG 29 14.511 -3.076 -3.306 217 2HH2 ARG 29 2HH2 ARG 29 14.959 -2.586 -4.914 218 H ALA 30 H ALA 30 10.263 -6.462 0.360 219 HA ALA 30 HA ALA 30 11.671 -8.937 0.171 220 1HB ALA 30 1HB ALA 30 10.622 -7.465 2.632 221 2HB ALA 30 2HB ALA 30 11.891 -8.707 2.621 222 3HB ALA 30 3HB ALA 30 12.170 -7.153 1.812 223 H ALA 31 H ALA 31 8.348 -8.273 1.226 224 HA ALA 31 HA ALA 31 7.677 -10.898 2.137 225 1HB ALA 31 1HB ALA 31 6.488 -8.791 2.690 226 2HB ALA 31 2HB ALA 31 5.900 -8.686 1.018 227 3HB ALA 31 3HB ALA 31 5.390 -10.033 2.058 228 H GLY 32 H GLY 32 8.309 -9.916 -1.062 229 1HA GLY 32 2HA GLY 32 8.411 -11.421 -2.867 230 2HA GLY 32 1HA GLY 32 7.146 -12.421 -2.154 231 H PHE 33 H PHE 33 6.223 -9.117 -2.121 232 HA PHE 33 HA PHE 33 4.870 -9.306 -4.780 233 1HB PHE 33 2HB PHE 33 3.541 -8.342 -2.242 234 2HB PHE 33 3HB PHE 33 2.834 -8.437 -3.856 235 HD1 PHE 33 2HD PHE 33 2.980 -10.924 -4.958 236 HD2 PHE 33 1HD PHE 33 2.908 -10.001 -0.742 237 HE1 PHE 33 2HE PHE 33 2.091 -13.191 -4.473 238 HE2 PHE 33 1HE PHE 33 2.012 -12.245 -0.263 239 HZ PHE 33 HZ PHE 33 1.597 -13.861 -2.131 240 HA PRO 34 HA PRO 34 7.063 -5.189 -4.211 241 1HB PRO 34 2HB PRO 34 8.535 -5.242 -6.547 242 2HB PRO 34 3HB PRO 34 9.110 -5.925 -5.001 243 1HG PRO 34 2HG PRO 34 7.789 -7.395 -7.294 244 2HG PRO 34 3HG PRO 34 9.278 -7.842 -6.399 245 1HD PRO 34 2HD PRO 34 6.878 -8.946 -5.801 246 2HD PRO 34 3HD PRO 34 8.042 -8.526 -4.507 247 H GLN 35 H GLN 35 5.191 -6.779 -6.709 248 HA GLN 35 HA GLN 35 4.561 -4.559 -8.343 249 1HB GLN 35 2HB GLN 35 2.625 -5.783 -9.073 250 2HB GLN 35 3HB GLN 35 4.032 -6.838 -8.988 251 1HG GLN 35 2HG GLN 35 3.189 -7.868 -6.914 252 2HG GLN 35 3HG GLN 35 1.829 -6.740 -6.868 253 1HE2 GLN 35 1HE2 GLN 35 -0.032 -7.177 -8.145 254 2HE2 GLN 35 2HE2 GLN 35 -0.116 -8.602 -9.174 255 H TYR 36 H TYR 36 3.162 -5.393 -5.128 256 HA TYR 36 HA TYR 36 0.975 -3.527 -5.342 257 1HB TYR 36 2HB TYR 36 2.406 -4.718 -2.949 258 2HB TYR 36 3HB TYR 36 1.097 -3.559 -2.782 259 HD1 TYR 36 1HD TYR 36 -1.035 -4.176 -4.470 260 HD2 TYR 36 2HD TYR 36 1.677 -6.903 -2.513 261 HE1 TYR 36 1HE TYR 36 -2.742 -5.986 -4.611 262 HE2 TYR 36 2HE TYR 36 -0.026 -8.713 -2.672 263 HH TYR 36 HH TYR 36 -2.113 -9.290 -3.408 264 H ALA 37 H ALA 37 4.288 -3.126 -4.042 265 HA ALA 37 HA ALA 37 4.021 -0.453 -3.147 266 1HB ALA 37 1HB ALA 37 5.897 -1.942 -2.565 267 2HB ALA 37 2HB ALA 37 6.488 -1.876 -4.242 268 3HB ALA 37 3HB ALA 37 6.478 -0.410 -3.241 269 H GLN 38 H GLN 38 4.593 -1.636 -6.459 270 HA GLN 38 HA GLN 38 5.233 0.912 -7.629 271 1HB GLN 38 2HB GLN 38 4.145 -1.690 -8.740 272 2HB GLN 38 3HB GLN 38 4.309 -0.275 -9.765 273 1HG GLN 38 2HG GLN 38 6.638 -1.398 -8.152 274 2HG GLN 38 3HG GLN 38 6.254 -1.914 -9.792 275 1HE2 GLN 38 1HE2 GLN 38 7.834 0.604 -7.922 276 2HE2 GLN 38 2HE2 GLN 38 8.139 1.646 -9.305 277 H LEU 39 H LEU 39 2.049 -0.443 -6.760 278 HA LEU 39 HA LEU 39 0.562 1.477 -8.351 279 1HB LEU 39 2HB LEU 39 -0.257 -0.315 -6.041 280 2HB LEU 39 3HB LEU 39 -1.349 0.834 -6.753 281 HG LEU 39 HG LEU 39 -1.794 -1.378 -7.574 282 1HD1 LEU 39 1HD1 LEU 39 -1.651 -1.017 -10.063 283 2HD1 LEU 39 2HD1 LEU 39 -0.775 0.489 -9.743 284 3HD1 LEU 39 3HD1 LEU 39 -2.440 0.252 -9.148 285 1HD2 LEU 39 1HD2 LEU 39 0.932 -1.391 -8.904 286 2HD2 LEU 39 2HD2 LEU 39 -0.318 -2.640 -9.015 287 3HD2 LEU 39 3HD2 LEU 39 0.455 -2.327 -7.462 288 H TYR 40 H TYR 40 2.395 1.977 -5.521 289 HA TYR 40 HA TYR 40 0.855 4.062 -4.277 290 1HB TYR 40 2HB TYR 40 2.762 2.954 -3.165 291 2HB TYR 40 3HB TYR 40 3.858 3.597 -4.380 292 HD1 TYR 40 2HD TYR 40 1.098 5.309 -2.427 293 HD2 TYR 40 1HD TYR 40 5.337 4.972 -3.222 294 HE1 TYR 40 2HE TYR 40 1.534 7.240 -0.936 295 HE2 TYR 40 1HE TYR 40 5.758 6.916 -1.713 296 HH TYR 40 HH TYR 40 3.136 8.637 -0.043 297 H GLU 41 H GLU 41 3.470 4.193 -6.720 298 HA GLU 41 HA GLU 41 3.349 7.061 -7.078 299 1HB GLU 41 2HB GLU 41 4.496 4.926 -8.925 300 2HB GLU 41 3HB GLU 41 4.799 6.668 -9.011 301 1HG GLU 41 2HG GLU 41 5.734 6.547 -6.657 302 2HG GLU 41 3HG GLU 41 5.616 4.789 -6.751 303 H ASP 42 H ASP 42 1.615 4.406 -8.575 304 HA ASP 42 HA ASP 42 0.267 6.044 -10.609 305 1HB ASP 42 2HB ASP 42 0.023 3.194 -9.618 306 2HB ASP 42 3HB ASP 42 -1.219 3.883 -10.645 307 H SER 43 H SER 43 -0.083 5.920 -7.273 308 HA SER 43 HA SER 43 -1.624 6.531 -5.756 309 1HB SER 43 2HB SER 43 -3.010 8.005 -8.018 310 2HB SER 43 3HB SER 43 -3.240 8.268 -6.285 311 HG SER 43 HG SER 43 -0.793 8.597 -7.714 312 H GLN 44 H GLN 44 -1.990 3.980 -6.784 313 HA GLN 44 HA GLN 44 -4.946 3.555 -6.507 314 1HB GLN 44 2HB GLN 44 -2.994 2.155 -8.344 315 2HB GLN 44 3HB GLN 44 -4.657 1.605 -8.046 316 1HG GLN 44 2HG GLN 44 -5.402 3.937 -8.821 317 2HG GLN 44 3HG GLN 44 -3.762 4.133 -9.442 318 1HE2 GLN 44 1HE2 GLN 44 -6.665 3.632 -10.668 319 2HE2 GLN 44 2HE2 GLN 44 -6.292 2.410 -11.881 320 H PHE 45 H PHE 45 -2.945 3.526 -4.364 321 HA PHE 45 HA PHE 45 -2.854 0.805 -3.332 322 1HB PHE 45 2HB PHE 45 -2.186 3.500 -2.346 323 2HB PHE 45 3HB PHE 45 -2.942 2.501 -1.125 324 HD1 PHE 45 1HD PHE 45 -0.422 1.953 -3.877 325 HD2 PHE 45 2HD PHE 45 -1.452 1.346 0.260 326 HE1 PHE 45 1HE PHE 45 1.740 0.790 -3.500 327 HE2 PHE 45 2HE PHE 45 0.738 0.224 0.632 328 HZ PHE 45 HZ PHE 45 2.317 -0.080 -1.249 329 HA PRO 46 HA PRO 46 -6.982 1.648 -1.192 330 1HB PRO 46 2HB PRO 46 -8.588 3.781 -1.706 331 2HB PRO 46 3HB PRO 46 -7.164 3.895 -0.640 332 1HG PRO 46 2HG PRO 46 -7.320 4.658 -3.566 333 2HG PRO 46 3HG PRO 46 -6.662 5.614 -2.197 334 1HD PRO 46 2HD PRO 46 -5.100 4.117 -3.841 335 2HD PRO 46 3HD PRO 46 -4.714 4.316 -2.106 336 H ILE 47 H ILE 47 -6.962 -0.135 -2.749 337 HA ILE 47 HA ILE 47 -9.335 -0.049 -4.577 338 HB ILE 47 HB ILE 47 -8.167 -1.565 -6.131 339 1HG1 ILE 47 2HG1 ILE 47 -5.590 -0.798 -4.684 340 2HG1 ILE 47 3HG1 ILE 47 -6.359 -2.360 -4.519 341 1HG2 ILE 47 1HG2 ILE 47 -8.410 0.887 -6.494 342 2HG2 ILE 47 2HG2 ILE 47 -6.796 1.131 -5.798 343 3HG2 ILE 47 3HG2 ILE 47 -6.996 0.206 -7.299 344 1HD1 ILE 47 1HD1 ILE 47 -5.236 -1.225 -7.107 345 2HD1 ILE 47 2HD1 ILE 47 -4.579 -2.544 -6.128 346 3HD1 ILE 47 3HD1 ILE 47 -6.130 -2.757 -6.962 347 H ASN 48 H ASN 48 -10.074 -0.717 -2.343 348 HA ASN 48 HA ASN 48 -10.991 -2.248 -0.916 349 1HB ASN 48 2HB ASN 48 -11.147 -3.929 -3.453 350 2HB ASN 48 3HB ASN 48 -12.001 -4.259 -1.961 351 1HD2 ASN 48 1HD2 ASN 48 -14.138 -3.654 -2.060 352 2HD2 ASN 48 2HD2 ASN 48 -14.696 -2.273 -2.999 353 H ILE 49 H ILE 49 -8.926 -2.337 0.235 354 HA ILE 49 HA ILE 49 -6.933 -4.286 -0.076 355 HB ILE 49 HB ILE 49 -7.974 -3.138 2.529 356 1HG1 ILE 49 2HG1 ILE 49 -5.536 -2.337 0.865 357 2HG1 ILE 49 3HG1 ILE 49 -7.072 -1.476 0.827 358 1HG2 ILE 49 1HG2 ILE 49 -6.690 -5.201 2.962 359 2HG2 ILE 49 2HG2 ILE 49 -5.376 -4.640 1.912 360 3HG2 ILE 49 3HG2 ILE 49 -5.735 -3.832 3.454 361 1HD1 ILE 49 1HD1 ILE 49 -5.545 -0.319 2.299 362 2HD1 ILE 49 2HD1 ILE 49 -6.881 -0.977 3.254 363 3HD1 ILE 49 3HD1 ILE 49 -5.273 -1.745 3.278 364 H VAL 50 H VAL 50 -10.026 -4.640 1.649 365 HA VAL 50 HA VAL 50 -9.641 -7.246 2.664 366 HB VAL 50 HB VAL 50 -12.301 -6.040 1.849 367 1HG1 VAL 50 1HG1 VAL 50 -12.525 -8.416 2.459 368 2HG1 VAL 50 2HG1 VAL 50 -11.570 -8.153 3.935 369 3HG1 VAL 50 3HG1 VAL 50 -13.173 -7.411 3.751 370 1HG2 VAL 50 1HG2 VAL 50 -10.713 -5.764 4.446 371 2HG2 VAL 50 2HG2 VAL 50 -11.131 -4.454 3.320 372 3HG2 VAL 50 3HG2 VAL 50 -12.403 -5.261 4.229 373 H ALA 51 H ALA 51 -10.484 -6.334 -0.630 374 HA ALA 51 HA ALA 51 -11.180 -9.058 -1.463 375 1HB ALA 51 1HB ALA 51 -10.470 -6.599 -3.120 376 2HB ALA 51 2HB ALA 51 -11.167 -8.118 -3.711 377 3HB ALA 51 3HB ALA 51 -12.105 -7.084 -2.618 378 H VAL 52 H VAL 52 -8.349 -6.891 -2.057 379 HA VAL 52 HA VAL 52 -6.888 -8.966 -3.399 380 HB VAL 52 HB VAL 52 -5.030 -7.512 -3.560 381 1HG1 VAL 52 1HG1 VAL 52 -6.025 -5.586 -4.639 382 2HG1 VAL 52 2HG1 VAL 52 -7.041 -7.002 -4.955 383 3HG1 VAL 52 3HG1 VAL 52 -7.539 -5.794 -3.749 384 1HG2 VAL 52 1HG2 VAL 52 -4.941 -5.282 -2.478 385 2HG2 VAL 52 2HG2 VAL 52 -6.357 -5.727 -1.504 386 3HG2 VAL 52 3HG2 VAL 52 -4.816 -6.594 -1.306 387 H LYS 53 H LYS 53 -6.780 -7.968 0.010 388 HA LYS 53 HA LYS 53 -4.447 -9.480 0.734 389 1HB LYS 53 2HB LYS 53 -4.970 -8.979 2.962 390 2HB LYS 53 3HB LYS 53 -5.620 -7.626 2.068 391 1HG LYS 53 2HG LYS 53 -7.888 -8.718 2.140 392 2HG LYS 53 3HG LYS 53 -7.238 -10.008 3.134 393 1HD LYS 53 2HD LYS 53 -7.067 -7.118 4.041 394 2HD LYS 53 3HD LYS 53 -8.520 -8.098 4.267 395 1HE LYS 53 2HE LYS 53 -7.063 -9.843 5.400 396 2HE LYS 53 3HE LYS 53 -5.773 -8.634 5.431 397 1HZ LYS 53 1HZ LYS 53 -8.470 -8.351 6.669 398 2HZ LYS 53 2HZ LYS 53 -7.334 -7.185 6.701 399 3HZ LYS 53 3HZ LYS 53 -7.091 -8.603 7.489 400 H ASN 54 H ASN 54 -7.683 -10.513 0.134 401 HA ASN 54 HA ASN 54 -7.508 -13.017 1.621 402 1HB ASN 54 2HB ASN 54 -9.552 -11.465 1.264 403 2HB ASN 54 3HB ASN 54 -9.661 -12.165 -0.351 404 1HD2 ASN 54 1HD2 ASN 54 -11.860 -12.701 0.565 405 2HD2 ASN 54 2HD2 ASN 54 -11.990 -14.185 1.505 406 H ASP 55 H ASP 55 -5.990 -12.255 -1.138 407 HA ASP 55 HA ASP 55 -6.532 -14.511 -2.865 408 1HB ASP 55 2HB ASP 55 -5.659 -12.323 -3.628 409 2HB ASP 55 3HB ASP 55 -4.162 -12.608 -2.737 410 H HIS 56 H HIS 56 -6.469 -16.021 -0.980 411 HA HIS 56 HA HIS 56 -4.114 -16.898 0.336 412 1HB HIS 56 2HB HIS 56 -6.436 -17.371 1.028 413 2HB HIS 56 3HB HIS 56 -6.663 -18.397 -0.387 414 HD1 HIS 56 1HD HIS 56 -4.383 -18.368 2.788 415 HD2 HIS 56 2HD HIS 56 -6.163 -20.931 -0.051 416 HE1 HIS 56 1HE HIS 56 -3.942 -20.746 3.594 417 H ASP 57 H ASP 57 -4.996 -17.424 -2.941 418 HA ASP 57 HA ASP 57 -3.773 -19.895 -3.574 419 1HB ASP 57 2HB ASP 57 -5.310 -18.587 -5.014 420 2HB ASP 57 3HB ASP 57 -4.039 -17.396 -5.284 421 H PHE 58 H PHE 58 -1.816 -20.415 -2.934 422 HA PHE 58 HA PHE 58 0.377 -20.503 -2.495 423 1HB PHE 58 2HB PHE 58 0.875 -18.393 -4.598 424 2HB PHE 58 3HB PHE 58 1.972 -19.640 -4.036 425 HD1 PHE 58 1HD PHE 58 0.822 -22.170 -4.255 426 HD2 PHE 58 2HD PHE 58 0.027 -18.741 -6.754 427 HE1 PHE 58 1HE PHE 58 0.063 -23.670 -6.082 428 HE2 PHE 58 2HE PHE 58 -0.713 -20.246 -8.578 429 HZ PHE 58 HZ PHE 58 -0.707 -22.711 -8.245 430 H LEU 59 H LEU 59 -1.221 -18.606 -0.909 431 HA LEU 59 HA LEU 59 1.042 -17.048 0.265 432 1HB LEU 59 2HB LEU 59 -0.319 -15.541 -1.110 433 2HB LEU 59 3HB LEU 59 -1.773 -16.045 -0.247 434 HG LEU 59 HG LEU 59 -0.989 -15.016 1.820 435 1HD1 LEU 59 1HD1 LEU 59 1.099 -13.552 1.725 436 2HD1 LEU 59 2HD1 LEU 59 1.545 -14.428 0.241 437 3HD1 LEU 59 3HD1 LEU 59 1.398 -15.287 1.783 438 1HD2 LEU 59 1HD2 LEU 59 -0.633 -13.132 -0.543 439 2HD2 LEU 59 2HD2 LEU 59 -1.018 -12.668 1.132 440 3HD2 LEU 59 3HD2 LEU 59 -2.181 -13.608 0.184 441 H GLU 60 H GLU 60 1.371 -17.477 2.310 442 HA GLU 60 HA GLU 60 -0.289 -19.030 4.063 443 1HB GLU 60 2HB GLU 60 1.917 -17.023 4.715 444 2HB GLU 60 3HB GLU 60 1.247 -18.199 5.834 445 1HG GLU 60 2HG GLU 60 2.834 -18.820 3.306 446 2HG GLU 60 3HG GLU 60 3.425 -18.905 4.958 447 H LYS 61 H LYS 61 -1.905 -18.466 5.471 448 HA LYS 61 HA LYS 61 -3.204 -15.930 5.370 449 1HB LYS 61 2HB LYS 61 -4.193 -18.150 6.087 450 2HB LYS 61 3HB LYS 61 -3.404 -17.925 7.656 451 1HG LYS 61 2HG LYS 61 -4.643 -15.740 7.903 452 2HG LYS 61 3HG LYS 61 -5.455 -16.052 6.367 453 1HD LYS 61 2HD LYS 61 -5.656 -17.769 8.881 454 2HD LYS 61 3HD LYS 61 -6.839 -16.567 8.351 455 1HE LYS 61 2HE LYS 61 -7.183 -17.866 6.235 456 2HE LYS 61 3HE LYS 61 -6.071 -19.103 6.840 457 1HZ LYS 61 1HZ LYS 61 -8.373 -19.696 7.311 458 2HZ LYS 61 2HZ LYS 61 -8.624 -18.316 8.144 459 3HZ LYS 61 3HZ LYS 61 -7.594 -19.445 8.722 460 H ASP 62 H ASP 62 -0.613 -17.021 7.486 461 HA ASP 62 HA ASP 62 -0.745 -14.833 9.359 462 1HB ASP 62 2HB ASP 62 1.539 -16.683 8.585 463 2HB ASP 62 3HB ASP 62 1.616 -15.517 9.905 464 H LEU 63 H LEU 63 0.553 -14.895 6.099 465 HA LEU 63 HA LEU 63 2.098 -12.395 6.451 466 1HB LEU 63 2HB LEU 63 1.467 -14.241 4.136 467 2HB LEU 63 3HB LEU 63 2.085 -12.627 3.822 468 HG LEU 63 HG LEU 63 3.544 -14.581 5.641 469 1HD1 LEU 63 1HD1 LEU 63 3.370 -15.556 3.388 470 2HD1 LEU 63 2HD1 LEU 63 5.022 -15.007 3.702 471 3HD1 LEU 63 3HD1 LEU 63 3.948 -14.039 2.665 472 1HD2 LEU 63 1HD2 LEU 63 4.427 -12.055 4.155 473 2HD2 LEU 63 2HD2 LEU 63 5.481 -13.105 5.124 474 3HD2 LEU 63 3HD2 LEU 63 4.191 -12.190 5.909 475 H VAL 64 H VAL 64 -1.193 -13.189 5.887 476 HA VAL 64 HA VAL 64 -2.009 -10.926 4.305 477 HB VAL 64 HB VAL 64 -3.594 -12.620 6.267 478 1HG1 VAL 64 1HG1 VAL 64 -5.587 -11.921 4.996 479 2HG1 VAL 64 2HG1 VAL 64 -4.828 -10.587 5.874 480 3HG1 VAL 64 3HG1 VAL 64 -4.583 -10.755 4.113 481 1HG2 VAL 64 1HG2 VAL 64 -4.369 -13.785 4.205 482 2HG2 VAL 64 2HG2 VAL 64 -3.313 -12.749 3.224 483 3HG2 VAL 64 3HG2 VAL 64 -2.613 -13.916 4.355 484 H GLU 65 H GLU 65 -1.526 -11.325 7.776 485 HA GLU 65 HA GLU 65 -2.615 -8.833 8.683 486 1HB GLU 65 2HB GLU 65 -0.677 -10.840 9.779 487 2HB GLU 65 3HB GLU 65 -0.669 -9.235 10.501 488 1HG GLU 65 2HG GLU 65 -3.206 -10.881 10.187 489 2HG GLU 65 3HG GLU 65 -2.147 -10.989 11.593 490 HA PRO 66 HA PRO 66 1.513 -6.588 8.426 491 1HB PRO 66 2HB PRO 66 3.693 -7.589 7.099 492 2HB PRO 66 3HB PRO 66 3.367 -7.831 8.836 493 1HG PRO 66 2HG PRO 66 2.713 -9.734 6.568 494 2HG PRO 66 3HG PRO 66 3.517 -10.104 8.126 495 1HD PRO 66 2HD PRO 66 0.869 -10.545 7.791 496 2HD PRO 66 3HD PRO 66 1.491 -9.875 9.325 497 H LEU 67 H LEU 67 0.724 -8.562 5.548 498 HA LEU 67 HA LEU 67 1.123 -6.604 3.536 499 1HB LEU 67 2HB LEU 67 0.670 -8.942 3.062 500 2HB LEU 67 3HB LEU 67 -0.924 -8.832 3.804 501 HG LEU 67 HG LEU 67 -1.709 -7.350 2.009 502 1HD1 LEU 67 1HD1 LEU 67 0.337 -6.178 1.380 503 2HD1 LEU 67 2HD1 LEU 67 -0.304 -7.020 -0.030 504 3HD1 LEU 67 3HD1 LEU 67 1.088 -7.700 0.841 505 1HD2 LEU 67 1HD2 LEU 67 -1.897 -9.804 1.754 506 2HD2 LEU 67 2HD2 LEU 67 -0.312 -9.843 0.953 507 3HD2 LEU 67 3HD2 LEU 67 -1.677 -9.001 0.189 508 H CYS 68 H CYS 68 -1.979 -7.231 5.349 509 HA CYS 68 HA CYS 68 -3.210 -4.925 4.166 510 1HB CYS 68 2HB CYS 68 -5.075 -5.329 5.505 511 2HB CYS 68 3HB CYS 68 -4.399 -6.921 5.124 512 HG CYS 68 HG CYS 68 -5.307 -7.016 7.575 513 H ARG 69 H ARG 69 -1.366 -5.238 7.198 514 HA ARG 69 HA ARG 69 -1.788 -2.547 8.157 515 1HB ARG 69 2HB ARG 69 0.445 -4.555 8.564 516 2HB ARG 69 3HB ARG 69 0.679 -2.886 9.045 517 1HG ARG 69 2HG ARG 69 -0.012 -3.935 10.989 518 2HG ARG 69 3HG ARG 69 -1.417 -3.017 10.446 519 1HD ARG 69 2HD ARG 69 -2.436 -5.112 9.567 520 2HD ARG 69 3HD ARG 69 -0.954 -5.984 9.996 521 HE ARG 69 HE ARG 69 -1.664 -6.229 12.120 522 1HH1 ARG 69 1HH1 ARG 69 -3.707 -3.712 10.826 523 2HH1 ARG 69 2HH1 ARG 69 -4.658 -3.623 12.285 524 1HH2 ARG 69 1HH2 ARG 69 -2.862 -6.076 13.908 525 2HH2 ARG 69 2HH2 ARG 69 -4.163 -4.922 14.012 526 H ARG 70 H ARG 70 0.833 -3.720 6.001 527 HA ARG 70 HA ARG 70 1.932 -1.052 5.611 528 1HB ARG 70 2HB ARG 70 2.279 -3.560 3.907 529 2HB ARG 70 3HB ARG 70 3.176 -2.066 3.706 530 1HG ARG 70 2HG ARG 70 3.449 -4.131 5.868 531 2HG ARG 70 3HG ARG 70 4.661 -3.376 4.860 532 1HD ARG 70 2HD ARG 70 4.164 -1.202 6.190 533 2HD ARG 70 3HD ARG 70 3.280 -2.222 7.314 534 HE ARG 70 HE ARG 70 6.171 -1.979 7.010 535 1HH1 ARG 70 1HH1 ARG 70 3.774 -4.260 8.136 536 2HH1 ARG 70 2HH1 ARG 70 4.901 -5.034 9.218 537 1HH2 ARG 70 1HH2 ARG 70 7.491 -2.907 8.482 538 2HH2 ARG 70 2HH2 ARG 70 6.991 -4.344 9.323 539 H LEU 71 H LEU 71 -0.523 -2.819 3.764 540 HA LEU 71 HA LEU 71 -0.839 -0.732 1.761 541 1HB LEU 71 2HB LEU 71 -2.772 -2.847 2.764 542 2HB LEU 71 3HB LEU 71 -3.076 -1.785 1.392 543 HG LEU 71 HG LEU 71 -0.782 -3.797 1.536 544 1HD1 LEU 71 1HD1 LEU 71 -2.087 -5.066 -0.111 545 2HD1 LEU 71 2HD1 LEU 71 -3.408 -3.881 0.001 546 3HD1 LEU 71 3HD1 LEU 71 -2.978 -4.889 1.407 547 1HD2 LEU 71 1HD2 LEU 71 -0.137 -2.022 0.056 548 2HD2 LEU 71 2HD2 LEU 71 -1.735 -2.014 -0.733 549 3HD2 LEU 71 3HD2 LEU 71 -0.631 -3.396 -0.922 550 H ASN 72 H ASN 72 -2.469 -1.279 4.901 551 HA ASN 72 HA ASN 72 -4.308 0.846 4.751 552 1HB ASN 72 2HB ASN 72 -4.499 -0.993 6.330 553 2HB ASN 72 3HB ASN 72 -3.024 -0.493 7.159 554 1HD2 ASN 72 1HD2 ASN 72 -3.415 0.631 9.046 555 2HD2 ASN 72 2HD2 ASN 72 -4.842 1.629 9.286 556 H THR 73 H THR 73 -0.971 0.982 6.176 557 HA THR 73 HA THR 73 -1.284 3.665 7.128 558 HB THR 73 HB THR 73 0.481 2.184 7.911 559 HG1 THR 73 1HG THR 73 1.655 3.851 8.418 560 1HG2 THR 73 1HG2 THR 73 2.623 2.028 6.786 561 2HG2 THR 73 2HG2 THR 73 2.006 2.906 5.374 562 3HG2 THR 73 3HG2 THR 73 1.364 1.296 5.780 563 H LEU 74 H LEU 74 -0.278 2.561 3.902 564 HA LEU 74 HA LEU 74 0.147 5.280 2.895 565 1HB LEU 74 2HB LEU 74 0.288 2.507 1.817 566 2HB LEU 74 3HB LEU 74 -0.278 3.720 0.669 567 HG LEU 74 HG LEU 74 1.705 5.116 1.086 568 1HD1 LEU 74 1HD1 LEU 74 2.553 2.783 2.845 569 2HD1 LEU 74 2HD1 LEU 74 2.354 4.483 3.330 570 3HD1 LEU 74 3HD1 LEU 74 3.659 4.023 2.214 571 1HD2 LEU 74 1HD2 LEU 74 3.269 3.789 -0.145 572 2HD2 LEU 74 2HD2 LEU 74 1.655 3.339 -0.712 573 3HD2 LEU 74 3HD2 LEU 74 2.531 2.271 0.406 574 H ASN 75 H ASN 75 -2.706 3.230 3.191 575 HA ASN 75 HA ASN 75 -4.324 4.552 1.219 576 1HB ASN 75 2HB ASN 75 -4.862 2.783 3.583 577 2HB ASN 75 3HB ASN 75 -6.186 3.795 3.030 578 1HD2 ASN 75 1HD2 ASN 75 -3.632 1.768 1.444 579 2HD2 ASN 75 2HD2 ASN 75 -4.793 1.068 0.311 580 H LYS 76 H LYS 76 -3.679 5.449 4.605 581 HA LYS 76 HA LYS 76 -5.406 7.722 4.777 582 1HB LYS 76 2HB LYS 76 -4.225 6.788 6.722 583 2HB LYS 76 3HB LYS 76 -2.669 7.206 6.023 584 1HG LYS 76 2HG LYS 76 -3.250 8.783 7.777 585 2HG LYS 76 3HG LYS 76 -3.130 9.594 6.231 586 1HD LYS 76 2HD LYS 76 -5.012 10.510 7.443 587 2HD LYS 76 3HD LYS 76 -5.611 9.646 6.042 588 1HE LYS 76 2HE LYS 76 -7.069 9.112 7.835 589 2HE LYS 76 3HE LYS 76 -6.112 7.663 7.531 590 1HZ LYS 76 1HZ LYS 76 -6.279 8.172 9.908 591 2HZ LYS 76 2HZ LYS 76 -5.611 9.643 9.698 592 3HZ LYS 76 3HZ LYS 76 -4.716 8.295 9.453 593 H CYS 77 H CYS 77 -1.994 7.617 3.746 594 HA CYS 77 HA CYS 77 -1.760 10.326 2.928 595 1HB CYS 77 2HB CYS 77 -0.298 7.851 1.886 596 2HB CYS 77 3HB CYS 77 0.232 9.531 1.696 597 HG CYS 77 HG CYS 77 0.407 10.073 4.256 598 H ALA 78 H ALA 78 -2.558 7.442 0.940 599 HA ALA 78 HA ALA 78 -2.815 8.867 -1.524 600 1HB ALA 78 1HB ALA 78 -3.908 6.155 -0.666 601 2HB ALA 78 2HB ALA 78 -3.710 6.724 -2.341 602 3HB ALA 78 3HB ALA 78 -2.282 6.467 -1.320 603 H SER 79 H SER 79 -5.175 8.358 1.037 604 HA SER 79 HA SER 79 -7.569 8.848 -0.455 605 1HB SER 79 2HB SER 79 -7.486 7.874 1.815 606 2HB SER 79 3HB SER 79 -6.999 9.442 2.479 607 HG SER 79 HG SER 79 -9.003 10.268 1.945 608 H MET 80 H MET 80 -5.388 11.098 1.268 609 HA MET 80 HA MET 80 -6.915 13.480 0.413 610 1HB MET 80 2HB MET 80 -4.259 13.251 1.886 611 2HB MET 80 3HB MET 80 -5.173 14.741 1.602 612 1HG MET 80 2HG MET 80 -7.128 13.645 2.833 613 2HG MET 80 3HG MET 80 -6.013 12.356 3.280 614 1HE MET 80 1HE MET 80 -6.463 16.492 5.161 615 2HE MET 80 2HE MET 80 -6.570 16.277 3.400 616 3HE MET 80 3HE MET 80 -7.711 15.434 4.475 617 H LYS 81 H LYS 81 -5.708 15.289 -0.636 618 HA LYS 81 HA LYS 81 -4.562 14.456 -3.204 619 1HB LYS 81 2HB LYS 81 -5.161 17.180 -1.972 620 2HB LYS 81 3HB LYS 81 -4.332 16.979 -3.507 621 1HG LYS 81 2HG LYS 81 -6.577 17.406 -4.036 622 2HG LYS 81 3HG LYS 81 -6.279 15.709 -4.413 623 1HD LYS 81 2HD LYS 81 -7.516 15.011 -2.399 624 2HD LYS 81 3HD LYS 81 -7.618 16.692 -1.854 625 1HE LYS 81 2HE LYS 81 -9.744 16.123 -2.759 626 2HE LYS 81 3HE LYS 81 -8.972 17.236 -3.889 627 1HZ LYS 81 1HZ LYS 81 -9.089 14.278 -4.207 628 2HZ LYS 81 2HZ LYS 81 -8.392 15.304 -5.275 629 3HZ LYS 81 3HZ LYS 81 -10.002 15.348 -5.030
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