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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
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12830 |
1tnw ![]() ![]() |
4080 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 1211 H/Q atoms Start of MODEL 1 1 1H ALA 1 1H ALA 1 -44.006 -7.508 -10.807 2 2H ALA 1 2H ALA 1 -43.636 -7.177 -12.432 3 3H ALA 1 3H ALA 1 -43.844 -5.901 -11.329 4 HA ALA 1 HA ALA 1 -41.502 -6.245 -11.790 5 1HB ALA 1 1HB ALA 1 -41.849 -5.394 -9.620 6 2HB ALA 1 2HB ALA 1 -40.846 -6.816 -9.338 7 3HB ALA 1 3HB ALA 1 -42.584 -6.892 -9.050 8 H SER 2 H SER 2 -40.815 -7.916 -13.136 9 HA SER 2 HA SER 2 -40.443 -10.583 -11.824 10 1HB SER 2 1HB SER 2 -40.777 -10.332 -14.801 11 2HB SER 2 2HB SER 2 -42.208 -10.334 -13.773 12 HG SER 2 HG SER 2 -41.223 -12.439 -14.583 13 H MET 3 H MET 3 -38.647 -11.852 -12.946 14 HA MET 3 HA MET 3 -36.377 -12.019 -13.481 15 1HB MET 3 1HB MET 3 -35.567 -10.555 -15.299 16 2HB MET 3 2HB MET 3 -36.994 -9.534 -15.116 17 1HG MET 3 1HG MET 3 -37.356 -11.089 -16.963 18 2HG MET 3 2HG MET 3 -38.422 -11.526 -15.629 19 1HE MET 3 1HE MET 3 -38.622 -13.260 -14.537 20 2HE MET 3 2HE MET 3 -37.173 -13.716 -13.645 21 3HE MET 3 3HE MET 3 -37.891 -14.852 -14.784 22 H THR 4 H THR 4 -36.925 -10.829 -11.040 23 HA THR 4 HA THR 4 -34.805 -8.716 -10.867 24 HB THR 4 HB THR 4 -36.098 -8.056 -8.716 25 HG1 THR 4 HG1 THR 4 -37.586 -9.574 -8.448 26 1HG2 THR 4 1HG2 THR 4 -37.596 -6.601 -10.000 27 2HG2 THR 4 2HG2 THR 4 -37.384 -7.619 -11.425 28 3HG2 THR 4 3HG2 THR 4 -36.020 -6.701 -10.785 29 H ASP 5 H ASP 5 -33.613 -10.979 -10.751 30 HA ASP 5 HA ASP 5 -33.723 -12.226 -8.080 31 1HB ASP 5 1HB ASP 5 -31.551 -13.359 -9.213 32 2HB ASP 5 2HB ASP 5 -32.369 -12.805 -10.674 33 H GLN 6 H GLN 6 -31.146 -10.682 -10.043 34 HA GLN 6 HA GLN 6 -29.408 -10.265 -7.765 35 1HB GLN 6 1HB GLN 6 -28.166 -8.751 -9.360 36 2HB GLN 6 2HB GLN 6 -29.437 -9.050 -10.544 37 1HG GLN 6 1HG GLN 6 -28.959 -11.545 -10.200 38 2HG GLN 6 2HG GLN 6 -27.501 -11.042 -9.345 39 1HE2 GLN 6 1HE2 GLN 6 -29.118 -10.982 -12.528 40 2HE2 GLN 6 2HE2 GLN 6 -27.719 -10.611 -13.416 41 H GLN 7 H GLN 7 -31.842 -8.293 -9.431 42 HA GLN 7 HA GLN 7 -31.230 -5.819 -8.093 43 1HB GLN 7 1HB GLN 7 -34.036 -6.363 -8.934 44 2HB GLN 7 2HB GLN 7 -32.803 -6.442 -10.193 45 1HG GLN 7 1HG GLN 7 -32.969 -4.113 -8.274 46 2HG GLN 7 2HG GLN 7 -33.900 -4.147 -9.771 47 1HE2 GLN 7 1HE2 GLN 7 -32.549 -4.462 -11.836 48 2HE2 GLN 7 2HE2 GLN 7 -30.975 -3.825 -11.861 49 H ALA 8 H ALA 8 -33.476 -8.490 -7.341 50 HA ALA 8 HA ALA 8 -34.680 -7.175 -5.063 51 1HB ALA 8 1HB ALA 8 -35.815 -9.036 -6.147 52 2HB ALA 8 2HB ALA 8 -35.470 -9.468 -4.472 53 3HB ALA 8 3HB ALA 8 -34.471 -10.115 -5.774 54 H GLU 9 H GLU 9 -31.541 -8.435 -5.476 55 HA GLU 9 HA GLU 9 -31.257 -9.064 -2.584 56 1HB GLU 9 1HB GLU 9 -28.932 -9.824 -3.315 57 2HB GLU 9 2HB GLU 9 -29.469 -9.572 -4.976 58 1HG GLU 9 1HG GLU 9 -31.032 -11.309 -4.868 59 2HG GLU 9 2HG GLU 9 -31.143 -11.233 -3.110 60 H ALA 10 H ALA 10 -29.687 -7.137 -5.151 61 HA ALA 10 HA ALA 10 -28.014 -5.620 -3.379 62 1HB ALA 10 1HB ALA 10 -27.338 -5.408 -5.596 63 2HB ALA 10 2HB ALA 10 -28.249 -3.910 -5.402 64 3HB ALA 10 3HB ALA 10 -28.992 -5.297 -6.197 65 NH1 ARG 11 NH1 ARG 11 -38.104 -4.030 -5.686 66 NH2 ARG 11 NH2 ARG 11 -39.001 -2.715 -4.069 67 H ARG 11 H ARG 11 -31.390 -5.353 -4.326 68 HA ARG 11 HA ARG 11 -31.792 -2.648 -3.408 69 1HB ARG 11 1HB ARG 11 -33.738 -4.945 -3.813 70 2HB ARG 11 2HB ARG 11 -33.324 -3.712 -5.006 71 1HG ARG 11 1HG ARG 11 -34.489 -2.050 -3.888 72 2HG ARG 11 2HG ARG 11 -34.292 -2.846 -2.330 73 1HD ARG 11 1HD ARG 11 -36.339 -3.762 -2.552 74 2HD ARG 11 2HD ARG 11 -35.786 -4.609 -3.996 75 HE ARG 11 HE ARG 11 -36.432 -1.896 -4.672 76 1HH1 ARG 11 1HH1 ARG 11 -39.020 -4.338 -5.945 77 2HH1 ARG 11 2HH1 ARG 11 -37.304 -4.378 -6.174 78 1HH2 ARG 11 1HH2 ARG 11 -38.885 -2.060 -3.323 79 2HH2 ARG 11 2HH2 ARG 11 -39.918 -3.022 -4.326 80 H ALA 12 H ALA 12 -32.314 -5.881 -1.983 81 HA ALA 12 HA ALA 12 -33.289 -4.898 0.553 82 1HB ALA 12 1HB ALA 12 -33.599 -7.243 -0.411 83 2HB ALA 12 2HB ALA 12 -33.144 -7.166 1.292 84 3HB ALA 12 3HB ALA 12 -31.932 -7.559 0.073 85 H PHE 13 H PHE 13 -30.137 -4.961 -0.818 86 HA PHE 13 HA PHE 13 -28.559 -5.408 1.536 87 1HB PHE 13 1HB PHE 13 -27.783 -3.586 -0.752 88 2HB PHE 13 2HB PHE 13 -27.775 -5.342 -0.911 89 HD1 PHE 13 HD1 PHE 13 -26.326 -6.723 0.616 90 HD2 PHE 13 HD2 PHE 13 -26.064 -2.438 0.448 91 HE1 PHE 13 HE1 PHE 13 -24.113 -6.813 1.731 92 HE2 PHE 13 HE2 PHE 13 -23.851 -2.530 1.563 93 HZ PHE 13 HZ PHE 13 -22.875 -4.717 2.204 94 H LEU 14 H LEU 14 -30.183 -2.542 0.249 95 HA LEU 14 HA LEU 14 -29.254 -1.025 2.656 96 1HB LEU 14 1HB LEU 14 -28.403 0.280 0.923 97 2HB LEU 14 2HB LEU 14 -29.990 1.012 1.149 98 HG LEU 14 HG LEU 14 -30.650 -0.895 -0.646 99 1HD1 LEU 14 1HD1 LEU 14 -29.367 1.473 -1.881 100 2HD1 LEU 14 2HD1 LEU 14 -30.545 1.820 -0.616 101 3HD1 LEU 14 3HD1 LEU 14 -31.021 0.882 -2.031 102 1HD2 LEU 14 1HD2 LEU 14 -28.228 -1.636 -0.728 103 2HD2 LEU 14 2HD2 LEU 14 -27.839 -0.068 -1.432 104 3HD2 LEU 14 3HD2 LEU 14 -28.902 -1.181 -2.292 105 H SER 15 H SER 15 -30.830 -0.351 4.030 106 HA SER 15 HA SER 15 -33.585 -1.167 3.552 107 1HB SER 15 1HB SER 15 -34.015 -0.144 5.772 108 2HB SER 15 2HB SER 15 -32.374 0.495 5.782 109 HG SER 15 HG SER 15 -32.375 -1.445 6.877 110 H GLU 16 H GLU 16 -35.356 0.582 4.124 111 HA GLU 16 HA GLU 16 -35.414 2.500 2.024 112 1HB GLU 16 1HB GLU 16 -37.467 1.680 3.071 113 2HB GLU 16 2HB GLU 16 -37.398 3.437 3.189 114 1HG GLU 16 1HG GLU 16 -36.109 2.170 5.477 115 2HG GLU 16 2HG GLU 16 -37.778 1.633 5.304 116 H GLU 17 H GLU 17 -34.127 2.752 5.285 117 HA GLU 17 HA GLU 17 -34.050 5.635 5.414 118 1HB GLU 17 1HB GLU 17 -31.903 4.138 6.804 119 2HB GLU 17 2HB GLU 17 -33.544 3.632 7.207 120 1HG GLU 17 1HG GLU 17 -34.103 5.702 8.108 121 2HG GLU 17 2HG GLU 17 -32.914 6.565 7.131 122 H MET 18 H MET 18 -31.687 3.155 4.414 123 HA MET 18 HA MET 18 -29.624 5.042 3.668 124 1HB MET 18 1HB MET 18 -29.442 2.621 2.142 125 2HB MET 18 2HB MET 18 -29.930 2.209 3.783 126 1HG MET 18 1HG MET 18 -28.033 3.433 4.703 127 2HG MET 18 2HG MET 18 -27.577 3.995 3.095 128 1HE MET 18 1HE MET 18 -25.419 3.394 3.725 129 2HE MET 18 2HE MET 18 -24.665 1.840 3.379 130 3HE MET 18 3HE MET 18 -25.323 2.154 4.983 131 H ILE 19 H ILE 19 -32.051 3.191 1.844 132 HA ILE 19 HA ILE 19 -31.485 4.016 -0.778 133 HB ILE 19 HB ILE 19 -34.178 3.530 0.537 134 1HG1 ILE 19 1HG1 ILE 19 -32.320 1.695 0.337 135 2HG1 ILE 19 2HG1 ILE 19 -32.735 1.703 -1.376 136 1HG2 ILE 19 1HG2 ILE 19 -34.663 4.766 -1.441 137 2HG2 ILE 19 2HG2 ILE 19 -34.869 3.074 -1.894 138 3HG2 ILE 19 3HG2 ILE 19 -33.404 3.939 -2.357 139 1HD1 ILE 19 1HD1 ILE 19 -34.119 0.418 0.773 140 2HD1 ILE 19 2HD1 ILE 19 -34.528 0.415 -0.942 141 3HD1 ILE 19 3HD1 ILE 19 -35.173 1.669 0.115 142 H ALA 20 H ALA 20 -33.319 5.769 1.731 143 HA ALA 20 HA ALA 20 -34.285 7.901 0.114 144 1HB ALA 20 1HB ALA 20 -33.398 8.148 2.997 145 2HB ALA 20 2HB ALA 20 -34.925 7.409 2.514 146 3HB ALA 20 3HB ALA 20 -34.619 9.110 2.165 147 H GLU 21 H GLU 21 -31.243 7.673 1.999 148 HA GLU 21 HA GLU 21 -30.248 10.256 1.248 149 1HB GLU 21 1HB GLU 21 -28.363 7.970 1.733 150 2HB GLU 21 2HB GLU 21 -29.407 8.496 3.054 151 1HG GLU 21 1HG GLU 21 -28.575 10.824 2.741 152 2HG GLU 21 2HG GLU 21 -27.483 10.242 1.485 153 H PHE 22 H PHE 22 -29.971 7.054 -0.266 154 HA PHE 22 HA PHE 22 -28.120 7.891 -2.329 155 1HB PHE 22 1HB PHE 22 -28.635 5.773 -3.399 156 2HB PHE 22 2HB PHE 22 -30.098 5.593 -2.437 157 HD1 PHE 22 HD1 PHE 22 -26.837 6.861 -1.162 158 HD2 PHE 22 HD2 PHE 22 -29.561 3.541 -1.312 159 HE1 PHE 22 HE1 PHE 22 -25.535 5.711 0.604 160 HE2 PHE 22 HE2 PHE 22 -28.255 2.394 0.454 161 HZ PHE 22 HZ PHE 22 -26.244 3.479 1.411 162 H LYS 23 H LYS 23 -31.620 8.004 -1.954 163 HA LYS 23 HA LYS 23 -32.308 8.426 -4.709 164 1HB LYS 23 1HB LYS 23 -33.882 9.746 -2.532 165 2HB LYS 23 2HB LYS 23 -33.786 7.985 -2.535 166 1HG LYS 23 1HG LYS 23 -34.595 7.947 -4.867 167 2HG LYS 23 2HG LYS 23 -34.682 9.708 -4.867 168 1HD LYS 23 1HD LYS 23 -36.275 9.546 -2.918 169 2HD LYS 23 2HD LYS 23 -36.282 7.797 -3.139 170 1HE LYS 23 1HE LYS 23 -38.149 8.469 -4.389 171 2HE LYS 23 2HE LYS 23 -36.890 8.371 -5.620 172 1HZ LYS 23 1HZ LYS 23 -36.559 10.716 -5.502 173 2HZ LYS 23 2HZ LYS 23 -37.610 10.863 -4.175 174 3HZ LYS 23 3HZ LYS 23 -38.219 10.439 -5.703 175 H ALA 24 H ALA 24 -31.107 10.598 -2.186 176 HA ALA 24 HA ALA 24 -31.806 13.087 -3.378 177 1HB ALA 24 1HB ALA 24 -30.876 12.801 -1.066 178 2HB ALA 24 2HB ALA 24 -30.056 14.057 -1.993 179 3HB ALA 24 3HB ALA 24 -29.299 12.478 -1.787 180 H ALA 25 H ALA 25 -28.766 11.229 -3.672 181 HA ALA 25 HA ALA 25 -27.650 12.975 -5.688 182 1HB ALA 25 1HB ALA 25 -26.127 10.898 -6.065 183 2HB ALA 25 2HB ALA 25 -26.962 10.228 -4.664 184 3HB ALA 25 3HB ALA 25 -26.044 11.727 -4.512 185 H PHE 26 H PHE 26 -29.608 10.023 -5.812 186 HA PHE 26 HA PHE 26 -29.266 9.459 -8.606 187 1HB PHE 26 1HB PHE 26 -31.556 8.862 -6.707 188 2HB PHE 26 2HB PHE 26 -30.223 7.789 -7.118 189 HD1 PHE 26 HD1 PHE 26 -33.493 9.025 -8.093 190 HD2 PHE 26 HD2 PHE 26 -30.005 6.939 -9.487 191 HE1 PHE 26 HE1 PHE 26 -34.788 8.142 -10.014 192 HE2 PHE 26 HE2 PHE 26 -31.302 6.058 -11.410 193 HZ PHE 26 HZ PHE 26 -33.691 6.660 -11.672 194 H ASP 27 H ASP 27 -31.708 11.387 -6.854 195 HA ASP 27 HA ASP 27 -33.301 12.098 -9.101 196 1HB ASP 27 1HB ASP 27 -32.752 13.611 -6.533 197 2HB ASP 27 2HB ASP 27 -34.068 12.479 -6.821 198 H MET 28 H MET 28 -30.171 13.308 -8.045 199 HA MET 28 HA MET 28 -30.163 15.820 -9.390 200 1HB MET 28 1HB MET 28 -27.741 14.026 -9.190 201 2HB MET 28 2HB MET 28 -28.400 14.843 -7.776 202 1HG MET 28 1HG MET 28 -28.208 17.016 -9.034 203 2HG MET 28 2HG MET 28 -27.384 16.136 -10.322 204 1HE MET 28 1HE MET 28 -27.055 16.632 -6.220 205 2HE MET 28 2HE MET 28 -27.407 17.960 -7.324 206 3HE MET 28 3HE MET 28 -25.828 17.862 -6.549 207 H PHE 29 H PHE 29 -28.750 12.725 -10.528 208 HA PHE 29 HA PHE 29 -28.411 13.590 -13.241 209 1HB PHE 29 1HB PHE 29 -28.672 10.925 -13.536 210 2HB PHE 29 2HB PHE 29 -28.398 10.988 -11.796 211 HD1 PHE 29 HD1 PHE 29 -26.230 11.316 -10.928 212 HD2 PHE 29 HD2 PHE 29 -27.011 12.172 -15.064 213 HE1 PHE 29 HE1 PHE 29 -23.806 11.662 -11.314 214 HE2 PHE 29 HE2 PHE 29 -24.586 12.517 -15.450 215 HZ PHE 29 HZ PHE 29 -22.984 12.262 -13.575 216 H ASP 30 H ASP 30 -31.136 12.423 -11.440 217 HA ASP 30 HA ASP 30 -32.792 11.854 -13.805 218 1HB ASP 30 1HB ASP 30 -34.052 12.190 -11.146 219 2HB ASP 30 2HB ASP 30 -32.839 10.917 -11.254 220 H ALA 31 H ALA 31 -31.800 14.504 -13.844 221 HA ALA 31 HA ALA 31 -33.527 16.458 -12.703 222 1HB ALA 31 1HB ALA 31 -31.740 16.488 -15.141 223 2HB ALA 31 2HB ALA 31 -31.444 17.223 -13.566 224 3HB ALA 31 3HB ALA 31 -32.664 17.904 -14.642 225 H ASP 32 H ASP 32 -33.457 15.534 -16.180 226 HA ASP 32 HA ASP 32 -36.364 16.200 -16.293 227 1HB ASP 32 1HB ASP 32 -34.707 15.728 -18.744 228 2HB ASP 32 2HB ASP 32 -34.469 17.223 -17.843 229 H GLY 33 H GLY 33 -35.672 13.680 -15.166 230 1HA GLY 33 1HA GLY 33 -35.551 11.317 -15.829 231 2HA GLY 33 2HA GLY 33 -36.284 11.758 -17.371 232 H GLY 34 H GLY 34 -36.952 10.173 -14.621 233 1HA GLY 34 1HA GLY 34 -39.816 10.234 -15.022 234 2HA GLY 34 2HA GLY 34 -39.362 11.090 -13.546 235 H GLY 35 H GLY 35 -37.693 9.753 -12.170 236 1HA GLY 35 1HA GLY 35 -38.817 7.021 -11.874 237 2HA GLY 35 2HA GLY 35 -37.851 7.873 -10.668 238 H ASP 36 H ASP 36 -36.915 7.714 -14.070 239 HA ASP 36 HA ASP 36 -34.540 6.091 -13.268 240 1HB ASP 36 1HB ASP 36 -34.784 4.581 -15.000 241 2HB ASP 36 2HB ASP 36 -35.658 5.719 -16.012 242 H ILE 37 H ILE 37 -32.689 6.415 -14.745 243 HA ILE 37 HA ILE 37 -32.686 9.184 -15.867 244 HB ILE 37 HB ILE 37 -30.350 7.362 -15.194 245 1HG1 ILE 37 1HG1 ILE 37 -31.943 8.303 -13.306 246 2HG1 ILE 37 2HG1 ILE 37 -31.114 9.823 -13.637 247 1HG2 ILE 37 1HG2 ILE 37 -30.565 10.265 -16.038 248 2HG2 ILE 37 2HG2 ILE 37 -29.666 8.972 -16.831 249 3HG2 ILE 37 3HG2 ILE 37 -29.120 9.599 -15.277 250 1HD1 ILE 37 1HD1 ILE 37 -29.917 7.208 -12.702 251 2HD1 ILE 37 2HD1 ILE 37 -29.856 8.778 -11.902 252 3HD1 ILE 37 3HD1 ILE 37 -28.928 8.503 -13.376 253 H SER 38 H SER 38 -31.813 9.529 -18.010 254 HA SER 38 HA SER 38 -31.603 7.040 -19.664 255 1HB SER 38 1HB SER 38 -32.723 8.249 -21.500 256 2HB SER 38 2HB SER 38 -32.889 9.670 -20.473 257 HG SER 38 HG SER 38 -34.465 7.519 -20.598 258 H THR 39 H THR 39 -30.635 7.799 -21.962 259 HA THR 39 HA THR 39 -27.934 8.600 -21.488 260 HB THR 39 HB THR 39 -27.881 8.861 -24.040 261 HG1 THR 39 HG1 THR 39 -29.700 8.718 -25.079 262 1HG2 THR 39 1HG2 THR 39 -27.322 6.768 -22.796 263 2HG2 THR 39 2HG2 THR 39 -28.012 6.464 -24.390 264 3HG2 THR 39 3HG2 THR 39 -29.007 6.270 -22.947 265 H LYS 40 H LYS 40 -30.583 10.429 -23.092 266 HA LYS 40 HA LYS 40 -29.102 12.833 -23.453 267 1HB LYS 40 1HB LYS 40 -31.186 12.583 -24.631 268 2HB LYS 40 2HB LYS 40 -31.365 13.953 -23.538 269 1HG LYS 40 1HG LYS 40 -32.903 12.884 -22.226 270 2HG LYS 40 2HG LYS 40 -32.144 11.307 -22.433 271 1HD LYS 40 1HD LYS 40 -33.515 12.638 -24.758 272 2HD LYS 40 2HD LYS 40 -34.464 11.760 -23.559 273 1HE LYS 40 1HE LYS 40 -33.059 9.752 -23.939 274 2HE LYS 40 2HE LYS 40 -32.140 10.636 -25.158 275 1HZ LYS 40 1HZ LYS 40 -33.863 9.283 -26.169 276 2HZ LYS 40 2HZ LYS 40 -34.176 10.933 -26.427 277 3HZ LYS 40 3HZ LYS 40 -35.056 10.071 -25.256 278 H GLU 41 H GLU 41 -31.165 11.810 -20.720 279 HA GLU 41 HA GLU 41 -30.982 14.210 -19.201 280 1HB GLU 41 1HB GLU 41 -31.093 12.262 -17.272 281 2HB GLU 41 2HB GLU 41 -31.709 11.396 -18.680 282 1HG GLU 41 1HG GLU 41 -32.724 14.134 -17.886 283 2HG GLU 41 2HG GLU 41 -33.448 12.645 -17.277 284 H LEU 42 H LEU 42 -28.797 11.403 -19.382 285 HA LEU 42 HA LEU 42 -27.066 12.195 -17.230 286 1HB LEU 42 1HB LEU 42 -25.372 10.733 -18.454 287 2HB LEU 42 2HB LEU 42 -26.612 10.476 -19.679 288 HG LEU 42 HG LEU 42 -28.111 9.826 -17.614 289 1HD1 LEU 42 1HD1 LEU 42 -27.040 8.396 -19.540 290 2HD1 LEU 42 2HD1 LEU 42 -27.696 7.586 -18.117 291 3HD1 LEU 42 3HD1 LEU 42 -25.957 7.837 -18.265 292 1HD2 LEU 42 1HD2 LEU 42 -25.343 9.923 -16.521 293 2HD2 LEU 42 2HD2 LEU 42 -26.318 8.526 -16.066 294 3HD2 LEU 42 3HD2 LEU 42 -26.885 10.154 -15.698 295 H GLY 43 H GLY 43 -26.804 12.683 -20.774 296 1HA GLY 43 1HA GLY 43 -25.654 14.308 -22.009 297 2HA GLY 43 2HA GLY 43 -24.371 14.111 -20.820 298 H THR 44 H THR 44 -27.682 15.349 -20.310 299 HA THR 44 HA THR 44 -26.983 18.130 -20.250 300 HB THR 44 HB THR 44 -29.223 16.926 -18.614 301 HG1 THR 44 HG1 THR 44 -29.900 16.097 -20.412 302 1HG2 THR 44 1HG2 THR 44 -30.353 19.030 -19.358 303 2HG2 THR 44 2HG2 THR 44 -28.854 19.511 -20.153 304 3HG2 THR 44 3HG2 THR 44 -28.903 19.326 -18.400 305 H VAL 45 H VAL 45 -27.108 15.647 -17.695 306 HA VAL 45 HA VAL 45 -26.531 17.463 -15.524 307 HB VAL 45 HB VAL 45 -26.011 14.473 -15.691 308 1HG1 VAL 45 1HG1 VAL 45 -24.858 15.379 -13.797 309 2HG1 VAL 45 2HG1 VAL 45 -26.356 14.690 -13.173 310 3HG1 VAL 45 3HG1 VAL 45 -26.212 16.433 -13.392 311 1HG2 VAL 45 1HG2 VAL 45 -28.449 15.719 -15.963 312 2HG2 VAL 45 2HG2 VAL 45 -28.364 15.481 -14.219 313 3HG2 VAL 45 3HG2 VAL 45 -28.226 14.099 -15.305 314 H MET 46 H MET 46 -24.485 15.557 -17.730 315 HA MET 46 HA MET 46 -22.003 15.973 -16.335 316 1HB MET 46 1HB MET 46 -20.911 15.293 -18.359 317 2HB MET 46 2HB MET 46 -22.299 15.752 -19.342 318 1HG MET 46 1HG MET 46 -23.259 13.746 -19.039 319 2HG MET 46 2HG MET 46 -23.083 13.859 -17.289 320 1HE MET 46 1HE MET 46 -22.092 12.436 -16.070 321 2HE MET 46 2HE MET 46 -20.515 13.223 -16.055 322 3HE MET 46 3HE MET 46 -20.623 11.484 -16.323 323 NH1 ARG 47 NH1 ARG 47 -23.386 16.802 -24.052 324 NH2 ARG 47 NH2 ARG 47 -24.422 18.249 -25.458 325 H ARG 47 H ARG 47 -23.664 17.811 -18.893 326 HA ARG 47 HA ARG 47 -21.661 19.816 -19.243 327 1HB ARG 47 1HB ARG 47 -23.898 21.170 -19.883 328 2HB ARG 47 2HB ARG 47 -24.550 19.530 -19.898 329 1HG ARG 47 1HG ARG 47 -22.153 19.209 -21.212 330 2HG ARG 47 2HG ARG 47 -22.642 20.816 -21.736 331 1HD ARG 47 1HD ARG 47 -24.841 19.923 -22.425 332 2HD ARG 47 2HD ARG 47 -24.346 18.313 -21.900 333 HE ARG 47 HE ARG 47 -22.637 19.628 -23.927 334 1HH1 ARG 47 1HH1 ARG 47 -24.708 17.485 -26.037 335 2HH1 ARG 47 2HH1 ARG 47 -24.674 19.185 -25.706 336 1HH2 ARG 47 1HH2 ARG 47 -22.846 16.632 -23.227 337 2HH2 ARG 47 2HH2 ARG 47 -23.670 16.036 -24.629 338 H MET 48 H MET 48 -24.052 19.373 -16.708 339 HA MET 48 HA MET 48 -24.176 22.072 -15.746 340 1HB MET 48 1HB MET 48 -24.717 20.951 -13.519 341 2HB MET 48 2HB MET 48 -24.477 19.406 -14.332 342 1HG MET 48 1HG MET 48 -26.779 19.721 -14.589 343 2HG MET 48 2HG MET 48 -26.160 20.396 -16.096 344 1HE MET 48 1HE MET 48 -27.492 22.602 -12.331 345 2HE MET 48 2HE MET 48 -26.732 21.020 -12.482 346 3HE MET 48 3HE MET 48 -28.415 21.231 -12.959 347 H LEU 49 H LEU 49 -21.867 19.442 -15.247 348 HA LEU 49 HA LEU 49 -20.285 20.831 -13.227 349 1HB LEU 49 1HB LEU 49 -18.568 19.064 -13.819 350 2HB LEU 49 2HB LEU 49 -19.679 18.476 -15.046 351 HG LEU 49 HG LEU 49 -19.638 17.385 -12.636 352 1HD1 LEU 49 1HD1 LEU 49 -21.701 19.561 -12.225 353 2HD1 LEU 49 2HD1 LEU 49 -20.071 19.654 -11.555 354 3HD1 LEU 49 3HD1 LEU 49 -21.154 18.353 -11.062 355 1HD2 LEU 49 1HD2 LEU 49 -21.689 16.459 -13.181 356 2HD2 LEU 49 2HD2 LEU 49 -21.247 17.174 -14.731 357 3HD2 LEU 49 3HD2 LEU 49 -22.379 18.008 -13.667 358 H GLY 50 H GLY 50 -20.263 20.496 -16.735 359 1HA GLY 50 1HA GLY 50 -17.883 22.299 -16.880 360 2HA GLY 50 2HA GLY 50 -19.307 22.579 -17.884 361 H GLN 51 H GLN 51 -18.917 19.245 -17.459 362 HA GLN 51 HA GLN 51 -16.961 18.870 -19.637 363 1HB GLN 51 1HB GLN 51 -18.565 16.559 -18.755 364 2HB GLN 51 2HB GLN 51 -17.685 17.354 -17.453 365 1HG GLN 51 1HG GLN 51 -16.268 15.621 -18.405 366 2HG GLN 51 2HG GLN 51 -15.599 17.194 -18.831 367 1HE2 GLN 51 1HE2 GLN 51 -17.856 14.695 -20.206 368 2HE2 GLN 51 2HE2 GLN 51 -17.363 14.951 -21.809 369 H ASN 52 H ASN 52 -17.513 18.338 -21.735 370 HA ASN 52 HA ASN 52 -20.437 18.137 -22.363 371 1HB ASN 52 1HB ASN 52 -19.606 19.005 -24.681 372 2HB ASN 52 2HB ASN 52 -18.167 19.517 -23.800 373 1HD2 ASN 52 1HD2 ASN 52 -20.678 20.994 -25.019 374 2HD2 ASN 52 2HD2 ASN 52 -21.132 22.047 -23.767 375 HA PRO 53 HA PRO 53 -18.410 14.204 -23.618 376 1HB PRO 53 1HB PRO 53 -18.951 13.192 -21.623 377 2HB PRO 53 2HB PRO 53 -20.346 12.592 -22.525 378 1HG PRO 53 1HG PRO 53 -20.531 14.142 -20.240 379 2HG PRO 53 2HG PRO 53 -21.795 14.070 -21.478 380 1HD PRO 53 1HD PRO 53 -19.957 16.274 -20.826 381 2HD PRO 53 2HD PRO 53 -21.419 16.307 -21.832 382 H THR 54 H THR 54 -19.614 12.271 -24.823 383 HA THR 54 HA THR 54 -21.387 13.528 -26.841 384 HB THR 54 HB THR 54 -20.498 10.723 -27.211 385 HG1 THR 54 HG1 THR 54 -18.481 11.124 -26.884 386 1HG2 THR 54 1HG2 THR 54 -21.563 11.756 -29.046 387 2HG2 THR 54 2HG2 THR 54 -19.847 11.811 -29.447 388 3HG2 THR 54 3HG2 THR 54 -20.655 13.254 -28.836 389 H LYS 55 H LYS 55 -23.392 12.575 -27.437 390 HA LYS 55 HA LYS 55 -24.888 11.363 -25.274 391 1HB LYS 55 1HB LYS 55 -26.619 11.048 -27.191 392 2HB LYS 55 2HB LYS 55 -25.474 11.966 -28.170 393 1HG LYS 55 1HG LYS 55 -25.512 13.655 -26.170 394 2HG LYS 55 2HG LYS 55 -27.014 12.842 -25.731 395 1HD LYS 55 1HD LYS 55 -27.951 14.362 -27.152 396 2HD LYS 55 2HD LYS 55 -27.419 13.232 -28.398 397 1HE LYS 55 1HE LYS 55 -25.170 14.559 -28.291 398 2HE LYS 55 2HE LYS 55 -26.136 15.809 -27.508 399 1HZ LYS 55 1HZ LYS 55 -27.650 15.750 -29.412 400 2HZ LYS 55 2HZ LYS 55 -26.655 14.600 -30.172 401 3HZ LYS 55 3HZ LYS 55 -26.073 16.168 -29.877 402 H GLU 56 H GLU 56 -23.686 10.132 -28.417 403 HA GLU 56 HA GLU 56 -24.619 7.440 -28.032 404 1HB GLU 56 1HB GLU 56 -24.005 8.188 -30.260 405 2HB GLU 56 2HB GLU 56 -22.945 6.855 -29.807 406 1HG GLU 56 1HG GLU 56 -21.330 8.717 -28.968 407 2HG GLU 56 2HG GLU 56 -22.311 9.803 -29.951 408 H GLU 57 H GLU 57 -21.740 9.158 -26.971 409 HA GLU 57 HA GLU 57 -20.230 6.819 -26.160 410 1HB GLU 57 1HB GLU 57 -19.996 9.587 -24.958 411 2HB GLU 57 2HB GLU 57 -19.347 9.207 -26.551 412 1HG GLU 57 1HG GLU 57 -17.721 7.783 -25.697 413 2HG GLU 57 2HG GLU 57 -18.658 7.411 -24.249 414 H LEU 58 H LEU 58 -22.503 9.029 -24.565 415 HA LEU 58 HA LEU 58 -22.261 7.879 -21.931 416 1HB LEU 58 1HB LEU 58 -24.797 8.968 -22.033 417 2HB LEU 58 2HB LEU 58 -23.950 9.869 -23.291 418 HG LEU 58 HG LEU 58 -22.093 10.262 -21.609 419 1HD1 LEU 58 1HD1 LEU 58 -24.888 11.318 -21.111 420 2HD1 LEU 58 2HD1 LEU 58 -23.603 12.071 -22.055 421 3HD1 LEU 58 3HD1 LEU 58 -23.462 11.967 -20.301 422 1HD2 LEU 58 1HD2 LEU 58 -23.090 8.303 -20.161 423 2HD2 LEU 58 2HD2 LEU 58 -24.129 9.568 -19.505 424 3HD2 LEU 58 3HD2 LEU 58 -22.377 9.700 -19.353 425 H ASP 59 H ASP 59 -24.222 7.140 -24.749 426 HA ASP 59 HA ASP 59 -26.146 5.422 -23.527 427 1HB ASP 59 1HB ASP 59 -24.964 5.241 -26.320 428 2HB ASP 59 2HB ASP 59 -26.329 6.258 -25.864 429 H ALA 60 H ALA 60 -22.845 4.842 -24.699 430 HA ALA 60 HA ALA 60 -22.931 1.968 -24.327 431 1HB ALA 60 1HB ALA 60 -20.428 3.660 -24.221 432 2HB ALA 60 2HB ALA 60 -21.254 3.334 -25.744 433 3HB ALA 60 3HB ALA 60 -20.601 2.001 -24.792 434 H ILE 61 H ILE 61 -22.085 4.735 -22.318 435 HA ILE 61 HA ILE 61 -20.899 3.349 -20.123 436 HB ILE 61 HB ILE 61 -22.359 5.977 -20.432 437 1HG1 ILE 61 1HG1 ILE 61 -19.892 5.414 -21.146 438 2HG1 ILE 61 2HG1 ILE 61 -19.556 5.543 -19.419 439 1HG2 ILE 61 1HG2 ILE 61 -21.559 6.439 -18.039 440 2HG2 ILE 61 2HG2 ILE 61 -21.343 4.697 -17.876 441 3HG2 ILE 61 3HG2 ILE 61 -22.947 5.360 -18.188 442 1HD1 ILE 61 1HD1 ILE 61 -19.254 7.752 -20.024 443 2HD1 ILE 61 2HD1 ILE 61 -20.986 7.786 -19.694 444 3HD1 ILE 61 3HD1 ILE 61 -20.407 7.654 -21.354 445 H ILE 62 H ILE 62 -24.281 3.921 -21.031 446 HA ILE 62 HA ILE 62 -25.330 2.846 -18.505 447 HB ILE 62 HB ILE 62 -26.813 3.362 -21.105 448 1HG1 ILE 62 1HG1 ILE 62 -25.614 5.389 -20.236 449 2HG1 ILE 62 2HG1 ILE 62 -26.479 5.201 -18.712 450 1HG2 ILE 62 1HG2 ILE 62 -28.733 3.648 -19.443 451 2HG2 ILE 62 2HG2 ILE 62 -27.663 2.952 -18.226 452 3HG2 ILE 62 3HG2 ILE 62 -28.129 2.003 -19.635 453 1HD1 ILE 62 1HD1 ILE 62 -27.397 6.741 -20.732 454 2HD1 ILE 62 2HD1 ILE 62 -28.473 5.908 -19.609 455 3HD1 ILE 62 3HD1 ILE 62 -28.130 5.203 -21.189 456 H GLU 63 H GLU 63 -24.829 1.730 -21.838 457 HA GLU 63 HA GLU 63 -26.225 -0.707 -21.796 458 1HB GLU 63 1HB GLU 63 -23.733 -1.162 -23.107 459 2HB GLU 63 2HB GLU 63 -24.189 0.514 -23.405 460 1HG GLU 63 1HG GLU 63 -26.088 -0.073 -24.577 461 2HG GLU 63 2HG GLU 63 -26.328 -1.555 -23.652 462 H GLU 64 H GLU 64 -22.959 0.007 -20.547 463 HA GLU 64 HA GLU 64 -22.324 -2.690 -19.785 464 1HB GLU 64 1HB GLU 64 -21.195 -0.647 -18.018 465 2HB GLU 64 2HB GLU 64 -21.008 -0.233 -19.722 466 1HG GLU 64 1HG GLU 64 -19.774 -2.185 -20.183 467 2HG GLU 64 2HG GLU 64 -20.354 -3.006 -18.734 468 H VAL 65 H VAL 65 -23.973 -0.035 -18.103 469 HA VAL 65 HA VAL 65 -24.210 -1.417 -15.568 470 HB VAL 65 HB VAL 65 -25.911 0.846 -16.671 471 1HG1 VAL 65 1HG1 VAL 65 -26.766 -0.405 -14.642 472 2HG1 VAL 65 2HG1 VAL 65 -26.456 1.309 -14.371 473 3HG1 VAL 65 3HG1 VAL 65 -25.304 0.103 -13.797 474 1HG2 VAL 65 1HG2 VAL 65 -23.464 1.350 -16.675 475 2HG2 VAL 65 2HG2 VAL 65 -23.408 0.960 -14.956 476 3HG2 VAL 65 3HG2 VAL 65 -24.353 2.340 -15.517 477 H ASP 66 H ASP 66 -26.109 -1.364 -18.531 478 HA ASP 66 HA ASP 66 -28.506 -2.542 -17.427 479 1HB ASP 66 1HB ASP 66 -29.104 -2.962 -19.803 480 2HB ASP 66 2HB ASP 66 -27.478 -2.487 -20.287 481 H GLU 67 H GLU 67 -27.186 -4.193 -16.172 482 HA GLU 67 HA GLU 67 -25.849 -6.370 -17.453 483 1HB GLU 67 1HB GLU 67 -26.883 -7.486 -15.158 484 2HB GLU 67 2HB GLU 67 -26.886 -5.769 -14.759 485 1HG GLU 67 1HG GLU 67 -24.735 -6.598 -14.105 486 2HG GLU 67 2HG GLU 67 -24.477 -5.707 -15.605 487 H ASP 68 H ASP 68 -29.255 -5.931 -16.495 488 HA ASP 68 HA ASP 68 -30.028 -8.577 -17.473 489 1HB ASP 68 1HB ASP 68 -31.886 -6.264 -16.883 490 2HB ASP 68 2HB ASP 68 -31.184 -7.252 -15.603 491 H GLY 69 H GLY 69 -30.143 -5.233 -18.683 492 1HA GLY 69 1HA GLY 69 -30.971 -6.327 -21.345 493 2HA GLY 69 2HA GLY 69 -29.886 -4.951 -21.146 494 H SER 70 H SER 70 -31.082 -3.278 -19.448 495 HA SER 70 HA SER 70 -33.948 -3.005 -20.133 496 1HB SER 70 1HB SER 70 -32.494 -0.924 -18.553 497 2HB SER 70 2HB SER 70 -32.697 -2.510 -17.815 498 HG SER 70 HG SER 70 -34.627 -0.640 -18.559 499 H GLY 71 H GLY 71 -31.089 -0.829 -20.215 500 1HA GLY 71 1HA GLY 71 -32.358 0.589 -22.520 501 2HA GLY 71 2HA GLY 71 -30.665 0.101 -22.590 502 H THR 72 H THR 72 -32.778 1.724 -20.188 503 HA THR 72 HA THR 72 -30.791 3.949 -20.051 504 HB THR 72 HB THR 72 -32.613 5.278 -19.092 505 HG1 THR 72 HG1 THR 72 -34.227 4.304 -18.205 506 1HG2 THR 72 1HG2 THR 72 -33.968 3.885 -21.361 507 2HG2 THR 72 2HG2 THR 72 -32.407 4.648 -21.665 508 3HG2 THR 72 3HG2 THR 72 -33.759 5.611 -21.070 509 H ILE 73 H ILE 73 -31.033 4.982 -17.578 510 HA ILE 73 HA ILE 73 -30.196 2.714 -15.839 511 HB ILE 73 HB ILE 73 -30.081 5.595 -15.002 512 1HG1 ILE 73 1HG1 ILE 73 -29.078 5.450 -17.290 513 2HG1 ILE 73 2HG1 ILE 73 -28.010 4.175 -16.711 514 1HG2 ILE 73 1HG2 ILE 73 -29.566 3.781 -13.392 515 2HG2 ILE 73 2HG2 ILE 73 -28.151 4.782 -13.721 516 3HG2 ILE 73 3HG2 ILE 73 -28.303 3.195 -14.475 517 1HD1 ILE 73 1HD1 ILE 73 -26.803 6.282 -16.632 518 2HD1 ILE 73 2HD1 ILE 73 -27.148 5.783 -14.977 519 3HD1 ILE 73 3HD1 ILE 73 -28.116 7.046 -15.736 520 H ASP 74 H ASP 74 -31.336 2.107 -14.076 521 HA ASP 74 HA ASP 74 -33.938 3.474 -13.558 522 1HB ASP 74 1HB ASP 74 -34.573 1.315 -12.470 523 2HB ASP 74 2HB ASP 74 -33.001 0.663 -12.915 524 H PHE 75 H PHE 75 -34.628 3.099 -11.122 525 HA PHE 75 HA PHE 75 -32.657 4.450 -9.473 526 1HB PHE 75 1HB PHE 75 -35.227 3.103 -8.584 527 2HB PHE 75 2HB PHE 75 -35.136 4.756 -9.190 528 HD1 PHE 75 HD1 PHE 75 -32.737 5.861 -8.008 529 HD2 PHE 75 HD2 PHE 75 -35.596 3.164 -6.272 530 HE1 PHE 75 HE1 PHE 75 -32.107 6.649 -5.745 531 HE2 PHE 75 HE2 PHE 75 -34.965 3.955 -4.009 532 HZ PHE 75 HZ PHE 75 -33.220 5.696 -3.745 533 H GLU 76 H GLU 76 -34.074 1.158 -9.426 534 HA GLU 76 HA GLU 76 -32.368 0.195 -7.316 535 1HB GLU 76 1HB GLU 76 -32.961 -2.093 -8.508 536 2HB GLU 76 2HB GLU 76 -34.103 -1.091 -9.403 537 1HG GLU 76 1HG GLU 76 -35.161 -0.361 -7.346 538 2HG GLU 76 2HG GLU 76 -33.920 -1.152 -6.374 539 H GLU 77 H GLU 77 -31.845 0.768 -10.703 540 HA GLU 77 HA GLU 77 -29.550 -1.006 -11.010 541 1HB GLU 77 1HB GLU 77 -30.110 1.520 -12.592 542 2HB GLU 77 2HB GLU 77 -30.964 0.010 -12.909 543 1HG GLU 77 1HG GLU 77 -28.004 -0.176 -12.727 544 2HG GLU 77 2HG GLU 77 -28.637 0.686 -14.126 545 H PHE 78 H PHE 78 -30.197 2.290 -10.031 546 HA PHE 78 HA PHE 78 -27.466 3.182 -9.806 547 1HB PHE 78 1HB PHE 78 -30.094 4.104 -8.614 548 2HB PHE 78 2HB PHE 78 -29.262 4.788 -10.004 549 HD1 PHE 78 HD1 PHE 78 -26.843 5.710 -9.575 550 HD2 PHE 78 HD2 PHE 78 -29.743 5.016 -6.482 551 HE1 PHE 78 HE1 PHE 78 -25.613 7.256 -8.075 552 HE2 PHE 78 HE2 PHE 78 -28.511 6.562 -4.984 553 HZ PHE 78 HZ PHE 78 -26.449 7.682 -5.780 554 H LEU 79 H LEU 79 -29.764 1.533 -7.669 555 HA LEU 79 HA LEU 79 -28.177 1.795 -5.255 556 1HB LEU 79 1HB LEU 79 -29.678 0.155 -4.294 557 2HB LEU 79 2HB LEU 79 -30.213 -0.346 -5.893 558 HG LEU 79 HG LEU 79 -31.159 1.919 -6.269 559 1HD1 LEU 79 1HD1 LEU 79 -33.080 1.655 -4.853 560 2HD1 LEU 79 2HD1 LEU 79 -32.142 0.782 -3.643 561 3HD1 LEU 79 3HD1 LEU 79 -32.481 0.034 -5.203 562 1HD2 LEU 79 1HD2 LEU 79 -30.171 2.355 -3.439 563 2HD2 LEU 79 2HD2 LEU 79 -31.360 3.401 -4.215 564 3HD2 LEU 79 3HD2 LEU 79 -29.730 3.273 -4.877 565 H VAL 80 H VAL 80 -28.571 -0.843 -7.660 566 HA VAL 80 HA VAL 80 -26.830 -2.707 -6.412 567 HB VAL 80 HB VAL 80 -28.389 -3.126 -8.384 568 1HG1 VAL 80 1HG1 VAL 80 -26.961 -2.960 -10.607 569 2HG1 VAL 80 2HG1 VAL 80 -26.184 -1.632 -9.750 570 3HG1 VAL 80 3HG1 VAL 80 -27.920 -1.592 -10.048 571 1HG2 VAL 80 1HG2 VAL 80 -26.684 -4.750 -7.518 572 2HG2 VAL 80 2HG2 VAL 80 -25.546 -4.121 -8.710 573 3HG2 VAL 80 3HG2 VAL 80 -27.018 -4.935 -9.240 574 H MET 81 H MET 81 -26.138 0.164 -8.288 575 HA MET 81 HA MET 81 -23.405 -0.407 -8.952 576 1HB MET 81 1HB MET 81 -23.329 2.262 -8.727 577 2HB MET 81 2HB MET 81 -25.079 2.063 -8.724 578 1HG MET 81 1HG MET 81 -25.125 1.523 -10.925 579 2HG MET 81 2HG MET 81 -23.740 0.442 -10.773 580 1HE MET 81 1HE MET 81 -23.762 4.952 -11.585 581 2HE MET 81 2HE MET 81 -24.625 4.169 -10.263 582 3HE MET 81 3HE MET 81 -25.071 3.812 -11.930 583 H MET 82 H MET 82 -24.969 0.999 -6.074 584 HA MET 82 HA MET 82 -22.434 1.490 -4.701 585 1HB MET 82 1HB MET 82 -25.131 1.148 -3.372 586 2HB MET 82 2HB MET 82 -24.695 2.634 -4.218 587 1HG MET 82 1HG MET 82 -22.496 2.403 -2.724 588 2HG MET 82 2HG MET 82 -23.588 1.489 -1.684 589 1HE MET 82 1HE MET 82 -23.137 5.140 -0.197 590 2HE MET 82 2HE MET 82 -21.987 4.429 -1.325 591 3HE MET 82 3HE MET 82 -22.687 3.436 -0.050 592 H VAL 83 H VAL 83 -24.681 -1.164 -5.059 593 HA VAL 83 HA VAL 83 -23.746 -2.773 -2.860 594 HB VAL 83 HB VAL 83 -25.409 -3.220 -5.337 595 1HG1 VAL 83 1HG1 VAL 83 -24.273 -5.308 -5.220 596 2HG1 VAL 83 2HG1 VAL 83 -25.794 -5.567 -4.365 597 3HG1 VAL 83 3HG1 VAL 83 -24.303 -5.316 -3.457 598 1HG2 VAL 83 1HG2 VAL 83 -26.159 -3.882 -2.505 599 2HG2 VAL 83 2HG2 VAL 83 -27.181 -3.338 -3.835 600 3HG2 VAL 83 3HG2 VAL 83 -26.122 -2.194 -3.012 601 NH1 ARG 84 NH1 ARG 84 -21.129 -2.751 -12.891 602 NH2 ARG 84 NH2 ARG 84 -21.522 -4.597 -11.631 603 H ARG 84 H ARG 84 -22.532 -2.171 -6.097 604 HA ARG 84 HA ARG 84 -20.790 -4.577 -5.982 605 1HB ARG 84 1HB ARG 84 -21.963 -4.109 -8.096 606 2HB ARG 84 2HB ARG 84 -20.214 -4.033 -8.304 607 1HG ARG 84 1HG ARG 84 -20.599 -1.462 -7.757 608 2HG ARG 84 2HG ARG 84 -22.231 -1.814 -8.324 609 1HD ARG 84 1HD ARG 84 -19.830 -2.677 -9.928 610 2HD ARG 84 2HD ARG 84 -20.454 -1.032 -10.061 611 HE ARG 84 HE ARG 84 -22.712 -2.277 -10.573 612 1HH1 ARG 84 1HH1 ARG 84 -20.897 -3.332 -13.673 613 2HH1 ARG 84 2HH1 ARG 84 -21.095 -1.756 -12.983 614 1HH2 ARG 84 1HH2 ARG 84 -21.786 -5.010 -10.760 615 2HH2 ARG 84 2HH2 ARG 84 -21.290 -5.180 -12.410 616 H GLN 85 H GLN 85 -20.477 -1.923 -4.406 617 HA GLN 85 HA GLN 85 -17.587 -1.570 -5.041 618 1HB GLN 85 1HB GLN 85 -18.655 0.452 -5.809 619 2HB GLN 85 2HB GLN 85 -17.832 0.829 -4.297 620 1HG GLN 85 1HG GLN 85 -20.193 0.162 -3.262 621 2HG GLN 85 2HG GLN 85 -20.760 0.617 -4.868 622 1HE2 GLN 85 1HE2 GLN 85 -19.684 1.846 -1.813 623 2HE2 GLN 85 2HE2 GLN 85 -19.660 3.488 -2.242 624 H MET 86 H MET 86 -19.995 -2.253 -2.675 625 HA MET 86 HA MET 86 -18.307 -1.528 -0.379 626 1HB MET 86 1HB MET 86 -20.642 -3.328 -0.009 627 2HB MET 86 2HB MET 86 -21.003 -1.726 -0.655 628 1HG MET 86 1HG MET 86 -19.144 -1.918 1.683 629 2HG MET 86 2HG MET 86 -20.867 -2.157 1.973 630 1HE MET 86 1HE MET 86 -22.601 0.983 1.501 631 2HE MET 86 2HE MET 86 -22.104 0.070 2.922 632 3HE MET 86 3HE MET 86 -22.622 -0.785 1.472 633 H LYS 87 H LYS 87 -17.918 -3.820 -2.605 634 HA LYS 87 HA LYS 87 -17.750 -6.284 -1.174 635 1HB LYS 87 1HB LYS 87 -16.164 -6.881 -3.112 636 2HB LYS 87 2HB LYS 87 -16.517 -5.267 -3.736 637 1HG LYS 87 1HG LYS 87 -19.025 -6.202 -3.102 638 2HG LYS 87 2HG LYS 87 -18.223 -7.673 -3.649 639 1HD LYS 87 1HD LYS 87 -17.990 -5.129 -5.249 640 2HD LYS 87 2HD LYS 87 -19.411 -6.160 -5.420 641 1HE LYS 87 1HE LYS 87 -16.659 -7.368 -5.580 642 2HE LYS 87 2HE LYS 87 -17.338 -6.552 -6.986 643 1HZ LYS 87 1HZ LYS 87 -19.256 -7.995 -6.881 644 2HZ LYS 87 2HZ LYS 87 -18.646 -8.762 -5.493 645 3HZ LYS 87 3HZ LYS 87 -17.840 -8.924 -6.981 646 H GLU 88 H GLU 88 -16.685 -5.727 0.760 647 HA GLU 88 HA GLU 88 -14.363 -4.376 1.311 648 1HB GLU 88 1HB GLU 88 -14.708 -7.102 2.523 649 2HB GLU 88 2HB GLU 88 -15.886 -5.834 2.853 650 1HG GLU 88 1HG GLU 88 -12.988 -5.147 3.126 651 2HG GLU 88 2HG GLU 88 -13.716 -6.153 4.379 652 H ASP 89 H ASP 89 -14.482 -7.616 -0.160 653 HA ASP 89 HA ASP 89 -11.727 -8.275 0.035 654 1HB ASP 89 1HB ASP 89 -13.504 -8.915 -2.336 655 2HB ASP 89 2HB ASP 89 -13.602 -9.773 -0.800 656 H ALA 90 H ALA 90 -13.435 -6.590 -2.637 657 HA ALA 90 HA ALA 90 -10.945 -5.948 -4.011 658 1HB ALA 90 1HB ALA 90 -12.434 -4.518 -5.440 659 2HB ALA 90 2HB ALA 90 -13.779 -4.932 -4.378 660 3HB ALA 90 3HB ALA 90 -12.980 -6.190 -5.318 661 H LYS 91 H LYS 91 -12.639 -4.551 -1.370 662 HA LYS 91 HA LYS 91 -11.887 -1.789 -1.765 663 1HB LYS 91 1HB LYS 91 -12.234 -1.880 0.885 664 2HB LYS 91 2HB LYS 91 -12.987 -3.423 0.486 665 1HG LYS 91 1HG LYS 91 -14.518 -2.326 -1.057 666 2HG LYS 91 2HG LYS 91 -13.699 -0.780 -0.823 667 1HD LYS 91 1HD LYS 91 -14.327 -1.639 1.768 668 2HD LYS 91 2HD LYS 91 -15.750 -2.054 0.814 669 1HE LYS 91 1HE LYS 91 -14.609 0.616 0.245 670 2HE LYS 91 2HE LYS 91 -15.276 0.426 1.867 671 1HZ LYS 91 1HZ LYS 91 -16.695 -0.207 -0.664 672 2HZ LYS 91 2HZ LYS 91 -16.953 1.172 0.295 673 3HZ LYS 91 3HZ LYS 91 -17.334 -0.370 0.899 674 H GLY 92 H GLY 92 -10.350 -4.589 -0.241 675 1HA GLY 92 1HA GLY 92 -8.325 -4.662 1.027 676 2HA GLY 92 2HA GLY 92 -8.135 -2.928 0.787 677 H LYS 93 H LYS 93 -8.914 -4.264 -2.197 678 HA LYS 93 HA LYS 93 -6.496 -5.475 -3.047 679 1HB LYS 93 1HB LYS 93 -8.780 -5.343 -4.236 680 2HB LYS 93 2HB LYS 93 -7.339 -5.262 -5.239 681 1HG LYS 93 1HG LYS 93 -8.358 -2.654 -4.254 682 2HG LYS 93 2HG LYS 93 -9.388 -3.488 -5.414 683 1HD LYS 93 1HD LYS 93 -7.247 -3.788 -6.824 684 2HD LYS 93 2HD LYS 93 -6.535 -2.566 -5.770 685 1HE LYS 93 1HE LYS 93 -8.071 -0.907 -6.465 686 2HE LYS 93 2HE LYS 93 -9.187 -2.098 -7.134 687 1HZ LYS 93 1HZ LYS 93 -7.977 -1.001 -8.890 688 2HZ LYS 93 2HZ LYS 93 -7.516 -2.635 -8.817 689 3HZ LYS 93 3HZ LYS 93 -6.493 -1.431 -8.192 690 H SER 94 H SER 94 -7.358 -2.081 -2.664 691 HA SER 94 HA SER 94 -5.096 -1.015 -4.129 692 1HB SER 94 1HB SER 94 -5.724 1.100 -2.825 693 2HB SER 94 2HB SER 94 -7.052 0.158 -2.156 694 HG SER 94 HG SER 94 -7.535 1.343 -4.131 695 H GLU 95 H GLU 95 -4.807 -2.923 -1.553 696 HA GLU 95 HA GLU 95 -3.325 -1.429 0.382 697 1HB GLU 95 1HB GLU 95 -2.325 -3.952 0.624 698 2HB GLU 95 2HB GLU 95 -3.847 -4.275 -0.207 699 1HG GLU 95 1HG GLU 95 -4.712 -2.503 1.645 700 2HG GLU 95 2HG GLU 95 -3.356 -3.201 2.530 701 H GLU 96 H GLU 96 -1.883 -0.126 -0.874 702 HA GLU 96 HA GLU 96 0.107 -1.222 -2.652 703 1HB GLU 96 1HB GLU 96 1.269 1.007 -2.238 704 2HB GLU 96 2HB GLU 96 -0.043 1.394 -1.125 705 1HG GLU 96 1HG GLU 96 -0.724 2.340 -3.191 706 2HG GLU 96 2HG GLU 96 -1.625 0.827 -3.089 707 H GLU 97 H GLU 97 -0.013 -0.641 0.838 708 HA GLU 97 HA GLU 97 2.765 -1.036 1.399 709 1HB GLU 97 1HB GLU 97 0.830 -2.058 3.398 710 2HB GLU 97 2HB GLU 97 0.591 -0.379 2.916 711 1HG GLU 97 1HG GLU 97 3.082 -0.038 3.334 712 2HG GLU 97 2HG GLU 97 3.090 -1.636 4.080 713 H LEU 98 H LEU 98 0.022 -3.292 1.059 714 HA LEU 98 HA LEU 98 1.498 -5.645 1.835 715 1HB LEU 98 1HB LEU 98 -0.398 -6.593 0.084 716 2HB LEU 98 2HB LEU 98 -1.116 -5.076 0.595 717 HG LEU 98 HG LEU 98 0.062 -6.940 2.638 718 1HD1 LEU 98 1HD1 LEU 98 -2.007 -4.744 2.575 719 2HD1 LEU 98 2HD1 LEU 98 -0.539 -4.840 3.545 720 3HD1 LEU 98 3HD1 LEU 98 -1.914 -5.875 3.925 721 1HD2 LEU 98 1HD2 LEU 98 -2.422 -7.310 1.038 722 2HD2 LEU 98 2HD2 LEU 98 -2.565 -7.568 2.776 723 3HD2 LEU 98 3HD2 LEU 98 -1.410 -8.512 1.837 724 H ALA 99 H ALA 99 1.101 -3.913 -1.236 725 HA ALA 99 HA ALA 99 2.208 -5.889 -2.974 726 1HB ALA 99 1HB ALA 99 2.631 -4.050 -4.517 727 2HB ALA 99 2HB ALA 99 2.481 -2.876 -3.210 728 3HB ALA 99 3HB ALA 99 1.072 -3.796 -3.736 729 H ASN 100 H ASN 100 3.753 -3.567 -0.791 730 HA ASN 100 HA ASN 100 6.435 -3.924 -1.834 731 1HB ASN 100 1HB ASN 100 7.162 -2.835 0.259 732 2HB ASN 100 2HB ASN 100 5.537 -3.004 0.918 733 1HD2 ASN 100 1HD2 ASN 100 5.201 -0.675 1.052 734 2HD2 ASN 100 2HD2 ASN 100 5.004 0.279 -0.338 735 H CYS 101 H CYS 101 4.806 -5.182 1.113 736 HA CYS 101 HA CYS 101 6.907 -7.003 1.833 737 1HB CYS 101 1HB CYS 101 5.040 -8.178 3.118 738 2HB CYS 101 2HB CYS 101 3.939 -6.976 2.445 739 HG CYS 101 HG CYS 101 6.369 -6.180 4.254 740 H PHE 102 H PHE 102 4.100 -7.275 -0.290 741 HA PHE 102 HA PHE 102 4.064 -10.063 -0.774 742 1HB PHE 102 1HB PHE 102 3.474 -7.747 -2.648 743 2HB PHE 102 2HB PHE 102 2.319 -8.534 -1.579 744 HD1 PHE 102 HD1 PHE 102 2.200 -11.203 -1.885 745 HD2 PHE 102 HD2 PHE 102 3.523 -8.413 -4.867 746 HE1 PHE 102 HE1 PHE 102 1.679 -12.853 -3.659 747 HE2 PHE 102 HE2 PHE 102 3.004 -10.063 -6.640 748 HZ PHE 102 HZ PHE 102 2.077 -12.286 -6.034 749 NH1 ARG 103 NH1 ARG 103 5.446 -8.078 -8.280 750 NH2 ARG 103 NH2 ARG 103 7.058 -7.794 -9.848 751 H ARG 103 H ARG 103 5.885 -7.481 -2.471 752 HA ARG 103 HA ARG 103 7.251 -9.262 -4.278 753 1HB ARG 103 1HB ARG 103 8.917 -7.225 -4.325 754 2HB ARG 103 2HB ARG 103 7.666 -6.427 -3.372 755 1HG ARG 103 1HG ARG 103 6.847 -5.902 -5.449 756 2HG ARG 103 2HG ARG 103 6.127 -7.506 -5.316 757 1HD ARG 103 1HD ARG 103 7.824 -8.493 -6.651 758 2HD ARG 103 2HD ARG 103 8.885 -7.095 -6.481 759 HE ARG 103 HE ARG 103 7.396 -5.865 -8.005 760 1HH1 ARG 103 1HH1 ARG 103 6.541 -8.363 -10.486 761 2HH1 ARG 103 2HH1 ARG 103 7.935 -7.400 -10.128 762 1HH2 ARG 103 1HH2 ARG 103 5.090 -7.901 -7.362 763 2HH2 ARG 103 2HH2 ARG 103 4.924 -8.646 -8.916 764 H ILE 104 H ILE 104 7.881 -8.330 -0.957 765 HA ILE 104 HA ILE 104 10.662 -9.000 -0.799 766 HB ILE 104 HB ILE 104 8.474 -9.277 1.290 767 1HG1 ILE 104 1HG1 ILE 104 9.155 -7.133 2.079 768 2HG1 ILE 104 2HG1 ILE 104 8.933 -6.961 0.348 769 1HG2 ILE 104 1HG2 ILE 104 10.535 -9.060 2.851 770 2HG2 ILE 104 2HG2 ILE 104 11.470 -9.559 1.442 771 3HG2 ILE 104 3HG2 ILE 104 10.226 -10.623 2.096 772 1HD1 ILE 104 1HD1 ILE 104 11.649 -7.788 0.971 773 2HD1 ILE 104 2HD1 ILE 104 11.231 -6.291 1.802 774 3HD1 ILE 104 3HD1 ILE 104 11.091 -6.394 0.048 775 H PHE 105 H PHE 105 7.731 -10.926 -0.232 776 HA PHE 105 HA PHE 105 8.948 -13.387 0.429 777 1HB PHE 105 1HB PHE 105 6.822 -14.422 -0.444 778 2HB PHE 105 2HB PHE 105 6.350 -12.821 -1.012 779 HD1 PHE 105 HD1 PHE 105 5.116 -11.455 0.413 780 HD2 PHE 105 HD2 PHE 105 7.613 -14.520 2.097 781 HE1 PHE 105 HE1 PHE 105 4.278 -10.893 2.677 782 HE2 PHE 105 HE2 PHE 105 6.774 -13.956 4.361 783 HZ PHE 105 HZ PHE 105 5.107 -12.143 4.652 784 H ASP 106 H ASP 106 8.165 -12.092 -2.845 785 HA ASP 106 HA ASP 106 9.347 -14.529 -4.033 786 1HB ASP 106 1HB ASP 106 7.528 -13.828 -5.340 787 2HB ASP 106 2HB ASP 106 8.915 -13.235 -6.242 788 H LYS 107 H LYS 107 11.480 -14.269 -3.164 789 HA LYS 107 HA LYS 107 13.123 -11.954 -3.724 790 1HB LYS 107 1HB LYS 107 14.992 -13.345 -2.956 791 2HB LYS 107 2HB LYS 107 13.979 -14.785 -3.050 792 1HG LYS 107 1HG LYS 107 12.463 -13.832 -1.360 793 2HG LYS 107 2HG LYS 107 13.459 -12.378 -1.274 794 1HD LYS 107 1HD LYS 107 15.387 -14.152 -0.801 795 2HD LYS 107 2HD LYS 107 14.030 -15.143 -0.267 796 1HE LYS 107 1HE LYS 107 13.365 -12.907 1.022 797 2HE LYS 107 2HE LYS 107 15.095 -12.593 0.885 798 1HZ LYS 107 1HZ LYS 107 15.521 -14.757 1.893 799 2HZ LYS 107 2HZ LYS 107 13.851 -15.024 2.054 800 3HZ LYS 107 3HZ LYS 107 14.602 -13.771 2.920 801 H ASN 108 H ASN 108 12.049 -14.479 -5.753 802 HA ASN 108 HA ASN 108 14.422 -14.461 -7.499 803 1HB ASN 108 1HB ASN 108 12.749 -15.845 -8.972 804 2HB ASN 108 2HB ASN 108 11.778 -15.903 -7.502 805 1HD2 ASN 108 1HD2 ASN 108 14.071 -17.661 -9.153 806 2HD2 ASN 108 2HD2 ASN 108 14.788 -18.479 -7.850 807 H ALA 109 H ALA 109 11.648 -12.541 -7.039 808 HA ALA 109 HA ALA 109 10.765 -10.755 -8.227 809 1HB ALA 109 1HB ALA 109 13.468 -11.131 -9.423 810 2HB ALA 109 2HB ALA 109 12.769 -9.718 -8.638 811 3HB ALA 109 3HB ALA 109 12.332 -10.109 -10.300 812 H ASP 110 H ASP 110 9.419 -12.957 -8.754 813 HA ASP 110 HA ASP 110 9.259 -13.220 -11.727 814 1HB ASP 110 1HB ASP 110 8.210 -15.328 -11.414 815 2HB ASP 110 2HB ASP 110 7.827 -14.980 -9.730 816 H GLY 111 H GLY 111 7.472 -12.311 -8.825 817 1HA GLY 111 1HA GLY 111 5.139 -11.559 -10.539 818 2HA GLY 111 2HA GLY 111 5.767 -10.480 -9.297 819 H PHE 112 H PHE 112 5.639 -13.966 -8.806 820 HA PHE 112 HA PHE 112 3.529 -13.513 -6.733 821 1HB PHE 112 1HB PHE 112 2.459 -15.609 -7.306 822 2HB PHE 112 2HB PHE 112 3.716 -15.987 -8.480 823 HD1 PHE 112 HD1 PHE 112 2.944 -15.820 -10.659 824 HD2 PHE 112 HD2 PHE 112 1.609 -12.943 -7.763 825 HE1 PHE 112 HE1 PHE 112 1.664 -14.639 -12.422 826 HE2 PHE 112 HE2 PHE 112 0.330 -11.762 -9.526 827 HZ PHE 112 HZ PHE 112 0.354 -12.609 -11.855 828 H ILE 113 H ILE 113 3.542 -15.267 -5.058 829 HA ILE 113 HA ILE 113 6.338 -15.925 -4.337 830 HB ILE 113 HB ILE 113 3.698 -15.990 -2.859 831 1HG1 ILE 113 1HG1 ILE 113 6.314 -14.484 -2.527 832 2HG1 ILE 113 2HG1 ILE 113 5.018 -14.460 -1.331 833 1HG2 ILE 113 1HG2 ILE 113 4.779 -17.948 -2.035 834 2HG2 ILE 113 2HG2 ILE 113 5.149 -16.684 -0.862 835 3HG2 ILE 113 3HG2 ILE 113 6.362 -17.171 -2.046 836 1HD1 ILE 113 1HD1 ILE 113 3.531 -13.809 -3.413 837 2HD1 ILE 113 2HD1 ILE 113 5.074 -13.284 -4.084 838 3HD1 ILE 113 3HD1 ILE 113 4.483 -12.580 -2.580 839 H ASP 114 H ASP 114 7.140 -18.024 -4.230 840 HA ASP 114 HA ASP 114 5.343 -20.181 -5.266 841 1HB ASP 114 1HB ASP 114 7.455 -21.355 -5.869 842 2HB ASP 114 2HB ASP 114 8.371 -19.988 -5.246 843 H ILE 115 H ILE 115 5.824 -22.396 -4.370 844 HA ILE 115 HA ILE 115 5.769 -22.372 -1.479 845 HB ILE 115 HB ILE 115 5.717 -24.477 -3.629 846 1HG1 ILE 115 1HG1 ILE 115 3.903 -23.493 -1.433 847 2HG1 ILE 115 2HG1 ILE 115 3.642 -25.072 -2.174 848 1HG2 ILE 115 1HG2 ILE 115 6.202 -24.933 -0.684 849 2HG2 ILE 115 2HG2 ILE 115 7.142 -25.544 -2.045 850 3HG2 ILE 115 3HG2 ILE 115 5.522 -26.170 -1.740 851 1HD1 ILE 115 1HD1 ILE 115 3.521 -22.346 -3.452 852 2HD1 ILE 115 2HD1 ILE 115 2.319 -23.636 -3.491 853 3HD1 ILE 115 3HD1 ILE 115 3.805 -23.786 -4.429 854 H GLU 116 H GLU 116 8.231 -22.995 -3.931 855 HA GLU 116 HA GLU 116 10.189 -24.167 -2.177 856 1HB GLU 116 1HB GLU 116 10.379 -24.335 -4.635 857 2HB GLU 116 2HB GLU 116 11.824 -23.598 -3.948 858 1HG GLU 116 1HG GLU 116 11.126 -21.399 -4.620 859 2HG GLU 116 2HG GLU 116 9.512 -21.972 -5.043 860 H GLU 117 H GLU 117 9.499 -20.820 -3.155 861 HA GLU 117 HA GLU 117 11.694 -19.610 -1.752 862 1HB GLU 117 1HB GLU 117 10.000 -17.581 -1.828 863 2HB GLU 117 2HB GLU 117 9.088 -18.651 -2.892 864 1HG GLU 117 1HG GLU 117 10.469 -17.472 -4.387 865 2HG GLU 117 2HG GLU 117 11.359 -18.973 -4.130 866 H LEU 118 H LEU 118 8.237 -20.011 -0.870 867 HA LEU 118 HA LEU 118 8.570 -18.880 1.772 868 1HB LEU 118 1HB LEU 118 6.363 -20.800 1.073 869 2HB LEU 118 2HB LEU 118 6.411 -19.199 0.333 870 HG LEU 118 HG LEU 118 6.711 -19.488 3.315 871 1HD1 LEU 118 1HD1 LEU 118 5.748 -17.227 3.278 872 2HD1 LEU 118 2HD1 LEU 118 5.512 -17.340 1.534 873 3HD1 LEU 118 3HD1 LEU 118 7.144 -17.306 2.203 874 1HD2 LEU 118 1HD2 LEU 118 4.105 -19.401 1.760 875 2HD2 LEU 118 2HD2 LEU 118 4.247 -19.209 3.508 876 3HD2 LEU 118 3HD2 LEU 118 4.678 -20.743 2.751 877 H GLY 119 H GLY 119 9.052 -22.111 0.500 878 1HA GLY 119 1HA GLY 119 9.720 -24.093 1.547 879 2HA GLY 119 2HA GLY 119 8.715 -23.606 2.904 880 H GLU 120 H GLU 120 11.868 -22.702 1.426 881 HA GLU 120 HA GLU 120 13.356 -23.261 3.805 882 1HB GLU 120 1HB GLU 120 15.099 -21.723 2.692 883 2HB GLU 120 2HB GLU 120 13.958 -21.617 1.349 884 1HG GLU 120 1HG GLU 120 15.500 -23.423 0.872 885 2HG GLU 120 2HG GLU 120 13.940 -24.141 1.272 886 H ILE 121 H ILE 121 11.723 -20.315 2.696 887 HA ILE 121 HA ILE 121 12.932 -18.496 4.544 888 HB ILE 121 HB ILE 121 10.269 -18.553 3.116 889 1HG1 ILE 121 1HG1 ILE 121 12.479 -17.962 1.983 890 2HG1 ILE 121 2HG1 ILE 121 12.527 -16.537 3.019 891 1HG2 ILE 121 1HG2 ILE 121 9.986 -16.175 3.996 892 2HG2 ILE 121 2HG2 ILE 121 11.219 -16.564 5.194 893 3HG2 ILE 121 3HG2 ILE 121 9.699 -17.457 5.173 894 1HD1 ILE 121 1HD1 ILE 121 11.329 -16.598 0.565 895 2HD1 ILE 121 2HD1 ILE 121 10.874 -15.482 1.852 896 3HD1 ILE 121 3HD1 ILE 121 9.959 -16.970 1.611 897 H LEU 122 H LEU 122 9.960 -20.491 4.808 898 HA LEU 122 HA LEU 122 9.453 -19.679 7.544 899 1HB LEU 122 1HB LEU 122 7.898 -20.771 5.680 900 2HB LEU 122 2HB LEU 122 7.549 -20.963 7.391 901 HG LEU 122 HG LEU 122 9.340 -22.988 6.126 902 1HD1 LEU 122 1HD1 LEU 122 8.966 -23.695 8.255 903 2HD1 LEU 122 2HD1 LEU 122 7.428 -24.271 7.611 904 3HD1 LEU 122 3HD1 LEU 122 7.513 -22.709 8.426 905 1HD2 LEU 122 1HD2 LEU 122 6.369 -23.309 5.861 906 2HD2 LEU 122 2HD2 LEU 122 7.660 -24.111 4.966 907 3HD2 LEU 122 3HD2 LEU 122 7.260 -22.430 4.618 908 NH1 ARG 123 NH1 ARG 123 12.899 -27.793 3.150 909 NH2 ARG 123 NH2 ARG 123 10.975 -28.933 3.531 910 H ARG 123 H ARG 123 11.103 -22.444 6.057 911 HA ARG 123 HA ARG 123 11.552 -23.865 8.543 912 1HB ARG 123 1HB ARG 123 13.320 -25.077 7.165 913 2HB ARG 123 2HB ARG 123 12.855 -24.035 5.819 914 1HG ARG 123 1HG ARG 123 10.671 -24.929 5.734 915 2HG ARG 123 2HG ARG 123 10.789 -25.603 7.358 916 1HD ARG 123 1HD ARG 123 11.492 -27.550 6.475 917 2HD ARG 123 2HD ARG 123 12.909 -26.726 5.825 918 HE ARG 123 HE ARG 123 10.617 -26.277 4.131 919 1HH1 ARG 123 1HH1 ARG 123 13.229 -28.539 2.571 920 2HH1 ARG 123 2HH1 ARG 123 13.469 -26.982 3.294 921 1HH2 ARG 123 1HH2 ARG 123 10.075 -28.994 3.965 922 2HH2 ARG 123 2HH2 ARG 123 11.300 -29.682 2.953 923 H ALA 124 H ALA 124 13.289 -21.294 6.875 924 HA ALA 124 HA ALA 124 15.839 -21.541 8.075 925 1HB ALA 124 1HB ALA 124 16.030 -19.075 7.691 926 2HB ALA 124 2HB ALA 124 14.318 -19.047 7.272 927 3HB ALA 124 3HB ALA 124 15.455 -19.959 6.278 928 H THR 125 H THR 125 12.821 -20.577 9.567 929 HA THR 125 HA THR 125 13.890 -19.006 11.710 930 HB THR 125 HB THR 125 11.464 -19.120 11.117 931 HG1 THR 125 HG1 THR 125 11.927 -19.912 13.795 932 1HG2 THR 125 1HG2 THR 125 10.964 -21.493 12.769 933 2HG2 THR 125 2HG2 THR 125 11.800 -21.857 11.260 934 3HG2 THR 125 3HG2 THR 125 10.247 -21.022 11.231 935 H GLY 126 H GLY 126 13.791 -22.495 11.215 936 1HA GLY 126 1HA GLY 126 15.262 -22.789 13.799 937 2HA GLY 126 2HA GLY 126 15.424 -23.872 12.420 938 H GLU 127 H GLU 127 12.206 -22.856 13.269 939 HA GLU 127 HA GLU 127 11.521 -24.795 15.230 940 1HB GLU 127 1HB GLU 127 9.168 -24.568 14.058 941 2HB GLU 127 2HB GLU 127 9.963 -23.276 13.158 942 1HG GLU 127 1HG GLU 127 9.193 -22.069 14.981 943 2HG GLU 127 2HG GLU 127 10.770 -22.563 15.598 944 H HIS 128 H HIS 128 10.667 -26.909 15.061 945 HA HIS 128 HA HIS 128 11.560 -28.408 12.706 946 1HB HIS 128 1HB HIS 128 10.423 -30.330 14.097 947 2HB HIS 128 2HB HIS 128 10.405 -29.128 15.387 948 HD1 HIS 128 HD1 HIS 128 12.926 -30.538 12.883 949 HD2 HIS 128 HD2 HIS 128 12.790 -29.060 16.778 950 HE1 HIS 128 HE1 HIS 128 15.267 -30.774 13.821 951 H VAL 129 H VAL 129 10.086 -27.365 11.162 952 HA VAL 129 HA VAL 129 7.214 -28.063 11.442 953 HB VAL 129 HB VAL 129 7.763 -25.782 10.716 954 1HG1 VAL 129 1HG1 VAL 129 9.642 -27.188 9.023 955 2HG1 VAL 129 2HG1 VAL 129 9.550 -25.465 9.385 956 3HG1 VAL 129 3HG1 VAL 129 8.612 -26.136 8.052 957 1HG2 VAL 129 1HG2 VAL 129 5.726 -27.026 9.838 958 2HG2 VAL 129 2HG2 VAL 129 6.640 -27.300 8.355 959 3HG2 VAL 129 3HG2 VAL 129 6.255 -25.655 8.864 960 H ILE 130 H ILE 130 6.120 -29.138 9.652 961 HA ILE 130 HA ILE 130 7.894 -31.137 8.314 962 HB ILE 130 HB ILE 130 5.427 -32.180 7.949 963 1HG1 ILE 130 1HG1 ILE 130 4.508 -30.174 9.307 964 2HG1 ILE 130 2HG1 ILE 130 5.202 -30.980 10.713 965 1HG2 ILE 130 1HG2 ILE 130 5.890 -33.464 10.120 966 2HG2 ILE 130 2HG2 ILE 130 7.287 -32.406 10.321 967 3HG2 ILE 130 3HG2 ILE 130 7.179 -33.467 8.916 968 1HD1 ILE 130 1HD1 ILE 130 3.182 -32.179 8.789 969 2HD1 ILE 130 2HD1 ILE 130 2.843 -31.625 10.428 970 3HD1 ILE 130 3HD1 ILE 130 3.893 -33.018 10.168 971 H GLU 131 H GLU 131 7.736 -31.451 6.078 972 HA GLU 131 HA GLU 131 6.830 -29.225 4.495 973 1HB GLU 131 1HB GLU 131 8.669 -30.596 3.694 974 2HB GLU 131 2HB GLU 131 7.333 -30.736 2.559 975 1HG GLU 131 1HG GLU 131 6.703 -32.805 4.135 976 2HG GLU 131 2HG GLU 131 8.439 -32.770 4.443 977 H GLU 132 H GLU 132 5.327 -32.228 5.529 978 HA GLU 132 HA GLU 132 3.174 -32.253 3.620 979 1HB GLU 132 1HB GLU 132 2.004 -33.635 5.403 980 2HB GLU 132 2HB GLU 132 3.413 -33.367 6.431 981 1HG GLU 132 1HG GLU 132 4.576 -34.192 4.074 982 2HG GLU 132 2HG GLU 132 3.093 -35.147 4.101 983 H ASP 133 H ASP 133 3.723 -30.554 6.680 984 HA ASP 133 HA ASP 133 0.971 -29.532 6.808 985 1HB ASP 133 1HB ASP 133 3.401 -28.540 8.327 986 2HB ASP 133 2HB ASP 133 2.451 -29.938 8.832 987 H ILE 134 H ILE 134 4.161 -28.350 5.782 988 HA ILE 134 HA ILE 134 3.356 -25.625 5.297 989 HB ILE 134 HB ILE 134 5.604 -27.251 4.057 990 1HG1 ILE 134 1HG1 ILE 134 5.467 -26.867 6.634 991 2HG1 ILE 134 2HG1 ILE 134 5.853 -25.191 6.247 992 1HG2 ILE 134 1HG2 ILE 134 5.138 -24.253 4.177 993 2HG2 ILE 134 2HG2 ILE 134 5.063 -25.253 2.726 994 3HG2 ILE 134 3HG2 ILE 134 6.597 -25.032 3.566 995 1HD1 ILE 134 1HD1 ILE 134 8.026 -25.770 6.124 996 2HD1 ILE 134 2HD1 ILE 134 7.641 -26.794 4.741 997 3HD1 ILE 134 3HD1 ILE 134 7.618 -27.468 6.371 998 H GLU 135 H GLU 135 3.748 -28.430 3.103 999 HA GLU 135 HA GLU 135 2.905 -27.130 0.717 1000 1HB GLU 135 1HB GLU 135 2.265 -30.021 1.267 1001 2HB GLU 135 2HB GLU 135 3.938 -29.499 1.083 1002 1HG GLU 135 1HG GLU 135 3.346 -28.493 -1.119 1003 2HG GLU 135 2HG GLU 135 1.705 -29.112 -0.935 1004 H ASP 136 H ASP 136 0.962 -29.033 3.063 1005 HA ASP 136 HA ASP 136 -1.534 -28.703 1.721 1006 1HB ASP 136 1HB ASP 136 -2.002 -28.831 4.524 1007 2HB ASP 136 2HB ASP 136 -0.605 -29.847 4.179 1008 H LEU 137 H LEU 137 0.147 -26.670 4.104 1009 HA LEU 137 HA LEU 137 -2.010 -24.905 4.699 1010 1HB LEU 137 1HB LEU 137 0.908 -24.115 4.516 1011 2HB LEU 137 2HB LEU 137 0.247 -25.035 5.867 1012 HG LEU 137 HG LEU 137 -1.144 -22.513 5.044 1013 1HD1 LEU 137 1HD1 LEU 137 -0.571 -23.838 7.715 1014 2HD1 LEU 137 2HD1 LEU 137 -2.073 -23.984 6.802 1015 3HD1 LEU 137 3HD1 LEU 137 -1.593 -22.423 7.467 1016 1HD2 LEU 137 1HD2 LEU 137 1.354 -22.606 6.768 1017 2HD2 LEU 137 2HD2 LEU 137 0.363 -21.182 6.451 1018 3HD2 LEU 137 3HD2 LEU 137 1.273 -21.932 5.139 1019 H MET 138 H MET 138 0.426 -24.824 2.097 1020 HA MET 138 HA MET 138 -0.397 -22.312 0.975 1021 1HB MET 138 1HB MET 138 0.617 -24.204 -1.001 1022 2HB MET 138 2HB MET 138 1.607 -24.192 0.458 1023 1HG MET 138 1HG MET 138 0.802 -21.507 -0.418 1024 2HG MET 138 2HG MET 138 1.782 -22.362 -1.609 1025 1HE MET 138 1HE MET 138 3.538 -19.831 -0.494 1026 2HE MET 138 2HE MET 138 3.491 -21.074 -1.742 1027 3HE MET 138 3HE MET 138 4.880 -20.969 -0.665 1028 H LYS 139 H LYS 139 -1.254 -25.686 0.100 1029 HA LYS 139 HA LYS 139 -3.118 -24.887 -1.963 1030 1HB LYS 139 1HB LYS 139 -2.113 -27.119 -1.988 1031 2HB LYS 139 2HB LYS 139 -3.867 -27.249 -1.903 1032 1HG LYS 139 1HG LYS 139 -3.516 -27.365 0.672 1033 2HG LYS 139 2HG LYS 139 -1.835 -27.728 0.276 1034 1HD LYS 139 1HD LYS 139 -2.722 -29.872 0.337 1035 2HD LYS 139 2HD LYS 139 -2.955 -29.486 -1.368 1036 1HE LYS 139 1HE LYS 139 -5.266 -28.774 -0.896 1037 2HE LYS 139 2HE LYS 139 -5.033 -29.126 0.815 1038 1HZ LYS 139 1HZ LYS 139 -6.150 -30.931 -0.398 1039 2HZ LYS 139 2HZ LYS 139 -4.683 -31.429 0.301 1040 3HZ LYS 139 3HZ LYS 139 -4.772 -31.122 -1.368 1041 H ASP 140 H ASP 140 -3.383 -25.037 1.492 1042 HA ASP 140 HA ASP 140 -6.315 -25.268 1.483 1043 1HB ASP 140 1HB ASP 140 -5.753 -24.551 4.020 1044 2HB ASP 140 2HB ASP 140 -4.167 -25.159 3.546 1045 H SER 141 H SER 141 -3.884 -22.733 1.577 1046 HA SER 141 HA SER 141 -5.762 -20.656 2.438 1047 1HB SER 141 1HB SER 141 -3.852 -19.125 1.709 1048 2HB SER 141 2HB SER 141 -2.942 -20.588 1.341 1049 HG SER 141 HG SER 141 -2.641 -20.926 3.379 1050 H ASP 142 H ASP 142 -4.540 -21.951 -0.619 1051 HA ASP 142 HA ASP 142 -5.835 -19.799 -2.170 1052 1HB ASP 142 1HB ASP 142 -4.925 -22.176 -3.648 1053 2HB ASP 142 2HB ASP 142 -3.661 -21.433 -2.669 1054 H LYS 143 H LYS 143 -8.020 -19.913 -2.376 1055 HA LYS 143 HA LYS 143 -9.545 -22.330 -1.995 1056 1HB LYS 143 1HB LYS 143 -11.434 -20.926 -2.966 1057 2HB LYS 143 2HB LYS 143 -10.255 -19.628 -3.163 1058 1HG LYS 143 1HG LYS 143 -10.046 -20.745 -0.505 1059 2HG LYS 143 2HG LYS 143 -11.718 -20.289 -0.828 1060 1HD LYS 143 1HD LYS 143 -10.451 -18.123 -1.846 1061 2HD LYS 143 2HD LYS 143 -9.294 -18.583 -0.597 1062 1HE LYS 143 1HE LYS 143 -10.752 -17.172 0.575 1063 2HE LYS 143 2HE LYS 143 -11.412 -18.767 0.933 1064 1HZ LYS 143 1HZ LYS 143 -13.001 -18.477 -0.862 1065 2HZ LYS 143 2HZ LYS 143 -12.362 -16.942 -1.212 1066 3HZ LYS 143 3HZ LYS 143 -13.145 -17.222 0.269 1067 H ASN 144 H ASN 144 -8.245 -20.720 -4.870 1068 HA ASN 144 HA ASN 144 -9.631 -22.642 -6.649 1069 1HB ASN 144 1HB ASN 144 -7.600 -20.619 -7.571 1070 2HB ASN 144 2HB ASN 144 -9.223 -20.095 -7.118 1071 1HD2 ASN 144 1HD2 ASN 144 -7.394 -21.213 -9.736 1072 2HD2 ASN 144 2HD2 ASN 144 -8.667 -21.744 -10.725 1073 H ASN 145 H ASN 145 -6.464 -21.997 -5.276 1074 HA ASN 145 HA ASN 145 -4.512 -23.255 -5.246 1075 1HB ASN 145 1HB ASN 145 -5.940 -25.546 -6.576 1076 2HB ASN 145 2HB ASN 145 -6.358 -25.099 -4.922 1077 1HD2 ASN 145 1HD2 ASN 145 -4.519 -27.295 -6.472 1078 2HD2 ASN 145 2HD2 ASN 145 -3.202 -27.413 -5.408 1079 H ASP 146 H ASP 146 -3.591 -21.848 -6.855 1080 HA ASP 146 HA ASP 146 -3.643 -22.876 -9.656 1081 1HB ASP 146 1HB ASP 146 -2.243 -20.336 -8.953 1082 2HB ASP 146 2HB ASP 146 -4.002 -20.343 -8.823 1083 H GLY 147 H GLY 147 -1.623 -22.608 -6.842 1084 1HA GLY 147 1HA GLY 147 0.752 -23.433 -8.459 1085 2HA GLY 147 2HA GLY 147 0.330 -24.234 -6.944 1086 NH1 ARG 148 NH1 ARG 148 3.764 -20.495 -11.973 1087 NH2 ARG 148 NH2 ARG 148 5.338 -19.283 -10.881 1088 H ARG 148 H ARG 148 0.424 -20.777 -7.895 1089 HA ARG 148 HA ARG 148 2.363 -20.318 -5.671 1090 1HB ARG 148 1HB ARG 148 2.894 -18.216 -7.017 1091 2HB ARG 148 2HB ARG 148 1.955 -18.931 -8.319 1092 1HG ARG 148 1HG ARG 148 4.131 -20.508 -6.976 1093 2HG ARG 148 2HG ARG 148 4.530 -19.345 -8.234 1094 1HD ARG 148 1HD ARG 148 2.459 -20.678 -9.408 1095 2HD ARG 148 2HD ARG 148 3.188 -21.966 -8.450 1096 HE ARG 148 HE ARG 148 5.134 -21.835 -9.815 1097 1HH1 ARG 148 1HH1 ARG 148 5.387 -18.648 -11.652 1098 2HH1 ARG 148 2HH1 ARG 148 5.915 -19.136 -10.077 1099 1HH2 ARG 148 1HH2 ARG 148 3.137 -21.275 -12.002 1100 2HH2 ARG 148 2HH2 ARG 148 3.810 -19.864 -12.746 1101 H ILE 149 H ILE 149 2.200 -18.105 -4.717 1102 HA ILE 149 HA ILE 149 -0.669 -17.386 -4.306 1103 HB ILE 149 HB ILE 149 1.844 -16.742 -2.725 1104 1HG1 ILE 149 1HG1 ILE 149 -0.421 -18.661 -2.489 1105 2HG1 ILE 149 2HG1 ILE 149 0.112 -17.890 -0.995 1106 1HG2 ILE 149 1HG2 ILE 149 0.056 -15.782 -1.093 1107 2HG2 ILE 149 2HG2 ILE 149 -0.966 -15.666 -2.527 1108 3HG2 ILE 149 3HG2 ILE 149 0.562 -14.786 -2.458 1109 1HD1 ILE 149 1HD1 ILE 149 1.450 -19.837 -1.168 1110 2HD1 ILE 149 2HD1 ILE 149 2.497 -18.535 -1.728 1111 3HD1 ILE 149 3HD1 ILE 149 1.717 -19.602 -2.895 1112 H ASP 150 H ASP 150 -1.428 -15.601 -5.334 1113 HA ASP 150 HA ASP 150 0.562 -13.717 -6.512 1114 1HB ASP 150 1HB ASP 150 -0.934 -13.293 -8.221 1115 2HB ASP 150 2HB ASP 150 -2.343 -13.543 -7.198 1116 H PHE 151 H PHE 151 -0.467 -11.366 -6.669 1117 HA PHE 151 HA PHE 151 -0.671 -10.354 -4.003 1118 1HB PHE 151 1HB PHE 151 -1.587 -8.986 -6.551 1119 2HB PHE 151 2HB PHE 151 0.087 -9.030 -5.995 1120 HD1 PHE 151 HD1 PHE 151 0.400 -8.323 -3.425 1121 HD2 PHE 151 HD2 PHE 151 -2.892 -7.160 -5.930 1122 HE1 PHE 151 HE1 PHE 151 -0.058 -6.398 -1.933 1123 HE2 PHE 151 HE2 PHE 151 -3.346 -5.235 -4.438 1124 HZ PHE 151 HZ PHE 151 -1.932 -4.854 -2.439 1125 H ASP 152 H ASP 152 -3.106 -11.483 -6.276 1126 HA ASP 152 HA ASP 152 -5.428 -10.275 -5.126 1127 1HB ASP 152 1HB ASP 152 -6.609 -12.327 -6.086 1128 2HB ASP 152 2HB ASP 152 -5.016 -12.900 -6.581 1129 H GLU 153 H GLU 153 -4.094 -13.563 -4.579 1130 HA GLU 153 HA GLU 153 -5.769 -14.099 -2.286 1131 1HB GLU 153 1HB GLU 153 -3.103 -15.431 -2.710 1132 2HB GLU 153 2HB GLU 153 -4.419 -15.741 -3.840 1133 1HG GLU 153 1HG GLU 153 -4.889 -15.962 -0.872 1134 2HG GLU 153 2HG GLU 153 -4.146 -17.298 -1.753 1135 H PHE 154 H PHE 154 -2.677 -12.499 -2.735 1136 HA PHE 154 HA PHE 154 -1.572 -12.653 -0.140 1137 1HB PHE 154 1HB PHE 154 -1.487 -10.171 -1.873 1138 2HB PHE 154 2HB PHE 154 -0.539 -11.614 -2.232 1139 HD1 PHE 154 HD1 PHE 154 0.768 -12.603 -0.121 1140 HD2 PHE 154 HD2 PHE 154 -0.493 -8.519 -0.545 1141 HE1 PHE 154 HE1 PHE 154 2.478 -11.907 1.530 1142 HE2 PHE 154 HE2 PHE 154 1.219 -7.827 1.109 1143 HZ PHE 154 HZ PHE 154 2.703 -9.517 2.144 1144 H LEU 155 H LEU 155 -4.240 -10.661 -1.332 1145 HA LEU 155 HA LEU 155 -4.387 -8.750 0.764 1146 1HB LEU 155 1HB LEU 155 -6.805 -8.601 0.186 1147 2HB LEU 155 2HB LEU 155 -6.638 -10.049 -0.804 1148 HG LEU 155 HG LEU 155 -4.883 -8.858 -2.146 1149 1HD1 LEU 155 1HD1 LEU 155 -6.447 -7.623 -3.464 1150 2HD1 LEU 155 2HD1 LEU 155 -7.473 -7.297 -2.067 1151 3HD1 LEU 155 3HD1 LEU 155 -7.367 -8.931 -2.722 1152 1HD2 LEU 155 1HD2 LEU 155 -4.091 -7.189 -0.634 1153 2HD2 LEU 155 2HD2 LEU 155 -5.721 -6.588 -0.328 1154 3HD2 LEU 155 3HD2 LEU 155 -4.955 -6.303 -1.891 1155 H LYS 156 H LYS 156 -6.234 -11.816 0.479 1156 HA LYS 156 HA LYS 156 -7.141 -11.729 3.229 1157 1HB LYS 156 1HB LYS 156 -6.943 -14.267 1.624 1158 2HB LYS 156 2HB LYS 156 -8.123 -13.032 1.187 1159 1HG LYS 156 1HG LYS 156 -8.851 -13.088 3.651 1160 2HG LYS 156 2HG LYS 156 -7.899 -14.568 3.784 1161 1HD LYS 156 1HD LYS 156 -9.703 -14.489 1.449 1162 2HD LYS 156 2HD LYS 156 -10.533 -14.472 3.005 1163 1HE LYS 156 1HE LYS 156 -10.286 -16.769 2.580 1164 2HE LYS 156 2HE LYS 156 -8.904 -16.422 3.618 1165 1HZ LYS 156 1HZ LYS 156 -8.724 -16.300 0.664 1166 2HZ LYS 156 2HZ LYS 156 -8.453 -17.738 1.525 1167 3HZ LYS 156 3HZ LYS 156 -7.459 -16.388 1.792 1168 H MET 157 H MET 157 -4.287 -12.978 1.624 1169 HA MET 157 HA MET 157 -3.388 -14.839 3.584 1170 1HB MET 157 1HB MET 157 -1.224 -13.299 2.366 1171 2HB MET 157 2HB MET 157 -2.419 -13.808 1.175 1172 1HG MET 157 1HG MET 157 -1.958 -16.037 1.464 1173 2HG MET 157 2HG MET 157 -1.589 -15.845 3.176 1174 1HE MET 157 1HE MET 157 1.979 -14.825 3.445 1175 2HE MET 157 2HE MET 157 0.518 -15.465 4.193 1176 3HE MET 157 3HE MET 157 0.540 -13.807 3.597 1177 H MET 158 H MET 158 -2.934 -11.309 3.324 1178 HA MET 158 HA MET 158 -1.590 -11.321 5.986 1179 1HB MET 158 1HB MET 158 -1.855 -8.861 4.297 1180 2HB MET 158 2HB MET 158 -0.716 -10.110 3.797 1181 1HG MET 158 1HG MET 158 0.018 -9.999 6.342 1182 2HG MET 158 2HG MET 158 -0.695 -8.388 6.252 1183 1HE MET 158 1HE MET 158 1.821 -10.736 5.707 1184 2HE MET 158 2HE MET 158 3.227 -9.896 5.057 1185 3HE MET 158 3HE MET 158 2.070 -10.642 3.958 1186 H GLU 159 H GLU 159 -4.680 -11.291 5.074 1187 HA GLU 159 HA GLU 159 -5.718 -8.851 6.225 1188 1HB GLU 159 1HB GLU 159 -7.748 -10.750 6.425 1189 2HB GLU 159 2HB GLU 159 -6.796 -11.299 5.046 1190 1HG GLU 159 1HG GLU 159 -6.975 -9.087 4.010 1191 2HG GLU 159 2HG GLU 159 -7.841 -8.472 5.418 1192 H GLY 160 H GLY 160 -5.565 -12.219 7.464 1193 1HA GLY 160 1HA GLY 160 -6.598 -12.466 9.823 1194 2HA GLY 160 2HA GLY 160 -5.590 -11.077 10.229 1195 H VAL 161 H VAL 161 -3.284 -11.375 10.294 1196 HA VAL 161 HA VAL 161 -2.323 -14.185 10.096 1197 HB VAL 161 HB VAL 161 -0.661 -11.658 10.343 1198 1HG1 VAL 161 1HG1 VAL 161 0.140 -14.174 10.788 1199 2HG1 VAL 161 2HG1 VAL 161 1.174 -13.003 9.971 1200 3HG1 VAL 161 3HG1 VAL 161 0.256 -14.176 9.028 1201 1HG2 VAL 161 1HG2 VAL 161 -1.640 -13.151 7.891 1202 2HG2 VAL 161 2HG2 VAL 161 -0.320 -11.983 7.856 1203 3HG2 VAL 161 3HG2 VAL 161 -1.945 -11.463 8.302 1204 H GLN 162 H GLN 162 -3.641 -14.318 12.203 1205 HA GLN 162 HA GLN 162 -1.926 -13.526 14.525 1206 1HB GLN 162 1HB GLN 162 -4.052 -12.447 14.768 1207 2HB GLN 162 2HB GLN 162 -4.062 -13.813 15.881 1208 1HG GLN 162 1HG GLN 162 -6.012 -14.404 14.897 1209 2HG GLN 162 2HG GLN 162 -5.033 -14.920 13.527 1210 1HE2 GLN 162 1HE2 GLN 162 -7.787 -13.735 13.476 1211 2HE2 GLN 162 2HE2 GLN 162 -7.667 -12.336 12.521 Start of MODEL 2 Raw file had 1211 H/Q atoms Start of MODEL 2 1 1H ALA 1 1H ALA 1 -7.985 3.036 -38.086 2 2H ALA 1 2H ALA 1 -8.692 2.365 -36.694 3 3H ALA 1 3H ALA 1 -7.972 3.904 -36.629 4 HA ALA 1 HA ALA 1 -9.656 4.658 -38.309 5 1HB ALA 1 1HB ALA 1 -10.965 2.058 -37.453 6 2HB ALA 1 2HB ALA 1 -10.279 2.369 -39.048 7 3HB ALA 1 3HB ALA 1 -11.680 3.287 -38.496 8 H SER 2 H SER 2 -10.306 2.777 -35.309 9 HA SER 2 HA SER 2 -12.109 4.832 -34.287 10 1HB SER 2 1HB SER 2 -10.802 2.535 -32.795 11 2HB SER 2 2HB SER 2 -12.315 2.407 -33.687 12 HG SER 2 HG SER 2 -11.898 3.376 -31.220 13 H MET 3 H MET 3 -11.179 6.773 -33.849 14 HA MET 3 HA MET 3 -8.493 6.935 -32.652 15 1HB MET 3 1HB MET 3 -10.446 9.203 -33.128 16 2HB MET 3 2HB MET 3 -9.393 8.570 -34.393 17 1HG MET 3 1HG MET 3 -7.439 9.279 -33.288 18 2HG MET 3 2HG MET 3 -8.256 9.416 -31.731 19 1HE MET 3 1HE MET 3 -9.563 11.228 -30.894 20 2HE MET 3 2HE MET 3 -10.832 10.975 -32.089 21 3HE MET 3 3HE MET 3 -10.220 12.600 -31.797 22 H THR 4 H THR 4 -11.878 7.372 -31.706 23 HA THR 4 HA THR 4 -11.102 8.225 -28.984 24 HB THR 4 HB THR 4 -13.673 8.110 -28.665 25 HG1 THR 4 HG1 THR 4 -14.457 7.043 -30.333 26 1HG2 THR 4 1HG2 THR 4 -12.701 10.251 -28.838 27 2HG2 THR 4 2HG2 THR 4 -13.915 10.240 -30.117 28 3HG2 THR 4 3HG2 THR 4 -12.214 9.992 -30.514 29 H ASP 5 H ASP 5 -10.037 6.379 -28.213 30 HA ASP 5 HA ASP 5 -11.693 3.905 -27.926 31 1HB ASP 5 1HB ASP 5 -9.634 2.703 -27.584 32 2HB ASP 5 2HB ASP 5 -8.717 4.200 -27.401 33 H GLN 6 H GLN 6 -9.312 5.860 -26.106 34 HA GLN 6 HA GLN 6 -10.169 4.885 -23.518 35 1HB GLN 6 1HB GLN 6 -8.823 6.864 -22.682 36 2HB GLN 6 2HB GLN 6 -8.537 7.297 -24.366 37 1HG GLN 6 1HG GLN 6 -7.763 4.774 -24.554 38 2HG GLN 6 2HG GLN 6 -7.529 4.934 -22.813 39 1HE2 GLN 6 1HE2 GLN 6 -6.733 6.736 -25.856 40 2HE2 GLN 6 2HE2 GLN 6 -5.208 7.250 -25.318 41 H GLN 7 H GLN 7 -10.927 7.743 -25.492 42 HA GLN 7 HA GLN 7 -12.564 9.026 -23.482 43 1HB GLN 7 1HB GLN 7 -13.142 9.527 -26.358 44 2HB GLN 7 2HB GLN 7 -11.499 9.877 -25.821 45 1HG GLN 7 1HG GLN 7 -12.418 11.279 -23.988 46 2HG GLN 7 2HG GLN 7 -14.050 10.949 -24.570 47 1HE2 GLN 7 1HE2 GLN 7 -10.904 12.163 -25.911 48 2HE2 GLN 7 2HE2 GLN 7 -11.623 13.343 -26.895 49 H ALA 8 H ALA 8 -13.232 6.794 -26.175 50 HA ALA 8 HA ALA 8 -16.104 6.911 -25.930 51 1HB ALA 8 1HB ALA 8 -15.054 6.110 -27.977 52 2HB ALA 8 2HB ALA 8 -16.063 4.833 -27.298 53 3HB ALA 8 3HB ALA 8 -14.312 4.769 -27.103 54 H GLU 9 H GLU 9 -13.817 5.531 -23.806 55 HA GLU 9 HA GLU 9 -15.869 3.602 -22.800 56 1HB GLU 9 1HB GLU 9 -13.788 2.470 -23.412 57 2HB GLU 9 2HB GLU 9 -14.001 2.423 -21.664 58 1HG GLU 9 1HG GLU 9 -12.453 4.315 -21.409 59 2HG GLU 9 2HG GLU 9 -12.268 4.414 -23.159 60 H ALA 10 H ALA 10 -13.609 6.176 -21.860 61 HA ALA 10 HA ALA 10 -14.327 6.146 -19.057 62 1HB ALA 10 1HB ALA 10 -13.029 8.203 -20.857 63 2HB ALA 10 2HB ALA 10 -12.272 7.229 -19.597 64 3HB ALA 10 3HB ALA 10 -13.373 8.534 -19.160 65 NH1 ARG 11 NH1 ARG 11 -22.492 11.768 -22.281 66 NH2 ARG 11 NH2 ARG 11 -21.362 12.965 -23.842 67 H ARG 11 H ARG 11 -15.706 7.541 -21.967 68 HA ARG 11 HA ARG 11 -17.427 9.473 -20.661 69 1HB ARG 11 1HB ARG 11 -18.432 8.292 -23.171 70 2HB ARG 11 2HB ARG 11 -16.789 8.917 -23.284 71 1HG ARG 11 1HG ARG 11 -18.134 10.786 -23.801 72 2HG ARG 11 2HG ARG 11 -17.729 11.024 -22.101 73 1HD ARG 11 1HD ARG 11 -19.907 9.844 -21.534 74 2HD ARG 11 2HD ARG 11 -20.311 9.928 -23.247 75 HE ARG 11 HE ARG 11 -19.692 12.434 -21.750 76 1HH1 ARG 11 1HH1 ARG 11 -22.228 13.256 -24.251 77 2HH1 ARG 11 2HH1 ARG 11 -20.496 13.278 -24.235 78 1HH2 ARG 11 1HH2 ARG 11 -22.488 11.165 -21.483 79 2HH2 ARG 11 2HH2 ARG 11 -23.360 12.054 -22.687 80 H ALA 12 H ALA 12 -17.883 6.122 -21.804 81 HA ALA 12 HA ALA 12 -20.624 5.888 -20.963 82 1HB ALA 12 1HB ALA 12 -20.230 3.443 -21.165 83 2HB ALA 12 2HB ALA 12 -18.501 3.750 -21.340 84 3HB ALA 12 3HB ALA 12 -19.628 4.322 -22.571 85 H PHE 13 H PHE 13 -17.628 5.873 -19.202 86 HA PHE 13 HA PHE 13 -18.419 4.266 -16.955 87 1HB PHE 13 1HB PHE 13 -16.568 6.635 -16.718 88 2HB PHE 13 2HB PHE 13 -16.066 5.198 -17.608 89 HD1 PHE 13 HD1 PHE 13 -16.161 6.720 -14.421 90 HD2 PHE 13 HD2 PHE 13 -16.515 2.896 -16.346 91 HE1 PHE 13 HE1 PHE 13 -15.603 5.593 -12.285 92 HE2 PHE 13 HE2 PHE 13 -15.957 1.770 -14.210 93 HZ PHE 13 HZ PHE 13 -15.501 3.118 -12.179 94 H LEU 14 H LEU 14 -18.708 7.768 -17.626 95 HA LEU 14 HA LEU 14 -20.580 7.943 -15.293 96 1HB LEU 14 1HB LEU 14 -18.800 9.374 -14.690 97 2HB LEU 14 2HB LEU 14 -19.995 10.465 -15.392 98 HG LEU 14 HG LEU 14 -18.573 9.771 -17.620 99 1HD1 LEU 14 1HD1 LEU 14 -17.362 11.964 -16.043 100 2HD1 LEU 14 2HD1 LEU 14 -19.112 12.052 -16.225 101 3HD1 LEU 14 3HD1 LEU 14 -18.079 11.999 -17.654 102 1HD2 LEU 14 1HD2 LEU 14 -16.215 9.741 -17.092 103 2HD2 LEU 14 2HD2 LEU 14 -16.986 8.481 -16.130 104 3HD2 LEU 14 3HD2 LEU 14 -16.543 10.014 -15.382 105 H SER 15 H SER 15 -22.642 8.206 -15.940 106 HA SER 15 HA SER 15 -23.309 8.913 -18.687 107 1HB SER 15 1HB SER 15 -25.675 8.843 -17.811 108 2HB SER 15 2HB SER 15 -25.014 8.525 -16.210 109 HG SER 15 HG SER 15 -24.691 6.543 -16.753 110 H GLU 16 H GLU 16 -25.227 10.678 -18.835 111 HA GLU 16 HA GLU 16 -24.047 13.229 -18.412 112 1HB GLU 16 1HB GLU 16 -26.399 14.100 -18.831 113 2HB GLU 16 2HB GLU 16 -26.926 12.416 -18.887 114 1HG GLU 16 1HG GLU 16 -25.085 12.075 -20.652 115 2HG GLU 16 2HG GLU 16 -24.991 13.835 -20.733 116 H GLU 17 H GLU 17 -26.024 11.250 -16.277 117 HA GLU 17 HA GLU 17 -26.833 13.320 -14.454 118 1HB GLU 17 1HB GLU 17 -26.243 10.480 -13.613 119 2HB GLU 17 2HB GLU 17 -27.654 10.860 -14.599 120 1HG GLU 17 1HG GLU 17 -28.751 11.825 -12.856 121 2HG GLU 17 2HG GLU 17 -27.300 12.651 -12.287 122 H MET 18 H MET 18 -24.055 11.057 -14.422 123 HA MET 18 HA MET 18 -22.847 12.230 -12.070 124 1HB MET 18 1HB MET 18 -20.958 10.974 -13.899 125 2HB MET 18 2HB MET 18 -22.381 9.970 -13.646 126 1HG MET 18 1HG MET 18 -20.869 11.240 -11.354 127 2HG MET 18 2HG MET 18 -20.464 9.642 -11.981 128 1HE MET 18 1HE MET 18 -22.648 10.249 -8.566 129 2HE MET 18 2HE MET 18 -23.297 11.531 -9.585 130 3HE MET 18 3HE MET 18 -21.555 11.290 -9.487 131 H ILE 19 H ILE 19 -22.279 12.555 -15.564 132 HA ILE 19 HA ILE 19 -20.091 14.311 -15.584 133 HB ILE 19 HB ILE 19 -22.514 14.249 -17.407 134 1HG1 ILE 19 1HG1 ILE 19 -20.876 12.239 -17.150 135 2HG1 ILE 19 2HG1 ILE 19 -19.725 13.265 -18.004 136 1HG2 ILE 19 1HG2 ILE 19 -19.899 15.757 -17.605 137 2HG2 ILE 19 2HG2 ILE 19 -21.535 16.400 -17.738 138 3HG2 ILE 19 3HG2 ILE 19 -20.880 15.387 -19.023 139 1HD1 ILE 19 1HD1 ILE 19 -22.257 13.371 -19.362 140 2HD1 ILE 19 2HD1 ILE 19 -21.806 11.682 -19.120 141 3HD1 ILE 19 3HD1 ILE 19 -20.711 12.776 -19.965 142 H ALA 20 H ALA 20 -23.526 15.087 -15.030 143 HA ALA 20 HA ALA 20 -23.314 17.927 -15.091 144 1HB ALA 20 1HB ALA 20 -25.154 16.168 -13.443 145 2HB ALA 20 2HB ALA 20 -25.484 16.798 -15.057 146 3HB ALA 20 3HB ALA 20 -25.366 17.901 -13.687 147 H GLU 21 H GLU 21 -23.003 15.660 -12.330 148 HA GLU 21 HA GLU 21 -22.424 17.679 -10.369 149 1HB GLU 21 1HB GLU 21 -21.092 15.464 -9.442 150 2HB GLU 21 2HB GLU 21 -22.260 14.731 -10.538 151 1HG GLU 21 1HG GLU 21 -24.096 15.549 -9.327 152 2HG GLU 21 2HG GLU 21 -23.154 16.842 -8.586 153 H PHE 22 H PHE 22 -20.373 15.807 -12.585 154 HA PHE 22 HA PHE 22 -17.858 16.752 -11.530 155 1HB PHE 22 1HB PHE 22 -16.901 15.931 -13.653 156 2HB PHE 22 2HB PHE 22 -18.520 15.765 -14.326 157 HD1 PHE 22 HD1 PHE 22 -17.398 14.961 -10.852 158 HD2 PHE 22 HD2 PHE 22 -18.706 13.412 -14.640 159 HE1 PHE 22 HE1 PHE 22 -17.564 12.694 -9.868 160 HE2 PHE 22 HE2 PHE 22 -18.870 11.147 -13.652 161 HZ PHE 22 HZ PHE 22 -18.300 10.787 -11.268 162 H LYS 23 H LYS 23 -20.232 18.093 -13.739 163 HA LYS 23 HA LYS 23 -18.591 20.049 -15.030 164 1HB LYS 23 1HB LYS 23 -21.389 20.810 -14.407 165 2HB LYS 23 2HB LYS 23 -21.194 19.285 -15.271 166 1HG LYS 23 1HG LYS 23 -21.165 20.661 -17.102 167 2HG LYS 23 2HG LYS 23 -19.465 20.832 -16.669 168 1HD LYS 23 1HD LYS 23 -19.816 22.918 -15.633 169 2HD LYS 23 2HD LYS 23 -21.551 22.647 -15.467 170 1HE LYS 23 1HE LYS 23 -21.732 22.710 -17.972 171 2HE LYS 23 2HE LYS 23 -20.025 23.151 -18.040 172 1HZ LYS 23 1HZ LYS 23 -22.142 24.675 -16.619 173 2HZ LYS 23 2HZ LYS 23 -21.462 25.097 -18.118 174 3HZ LYS 23 3HZ LYS 23 -20.504 25.104 -16.715 175 H ALA 24 H ALA 24 -20.196 19.999 -11.867 176 HA ALA 24 HA ALA 24 -19.939 22.788 -11.261 177 1HB ALA 24 1HB ALA 24 -20.017 20.348 -9.461 178 2HB ALA 24 2HB ALA 24 -21.365 21.405 -9.878 179 3HB ALA 24 3HB ALA 24 -20.058 22.005 -8.858 180 H ALA 25 H ALA 25 -17.789 20.021 -10.603 181 HA ALA 25 HA ALA 25 -15.726 21.563 -9.310 182 1HB ALA 25 1HB ALA 25 -15.788 18.848 -10.632 183 2HB ALA 25 2HB ALA 25 -15.653 19.228 -8.915 184 3HB ALA 25 3HB ALA 25 -14.290 19.525 -9.993 185 H PHE 26 H PHE 26 -16.341 20.632 -12.682 186 HA PHE 26 HA PHE 26 -13.850 21.536 -13.787 187 1HB PHE 26 1HB PHE 26 -16.580 21.505 -15.113 188 2HB PHE 26 2HB PHE 26 -15.529 20.097 -14.978 189 HD1 PHE 26 HD1 PHE 26 -16.066 23.331 -16.639 190 HD2 PHE 26 HD2 PHE 26 -13.400 19.993 -16.197 191 HE1 PHE 26 HE1 PHE 26 -14.847 24.026 -18.688 192 HE2 PHE 26 HE2 PHE 26 -12.178 20.690 -18.243 193 HZ PHE 26 HZ PHE 26 -12.902 22.716 -19.496 194 H ASP 27 H ASP 27 -16.960 23.160 -13.219 195 HA ASP 27 HA ASP 27 -16.361 25.642 -14.469 196 1HB ASP 27 1HB ASP 27 -18.253 24.743 -12.329 197 2HB ASP 27 2HB ASP 27 -18.609 25.374 -13.932 198 H MET 28 H MET 28 -15.457 24.374 -11.281 199 HA MET 28 HA MET 28 -14.642 26.807 -10.032 200 1HB MET 28 1HB MET 28 -13.166 24.181 -9.740 201 2HB MET 28 2HB MET 28 -14.753 24.439 -9.023 202 1HG MET 28 1HG MET 28 -13.679 26.611 -8.042 203 2HG MET 28 2HG MET 28 -12.148 25.812 -8.400 204 1HE MET 28 1HE MET 28 -11.433 23.532 -7.535 205 2HE MET 28 2HE MET 28 -11.555 23.372 -5.785 206 3HE MET 28 3HE MET 28 -10.986 24.885 -6.487 207 H PHE 29 H PHE 29 -12.607 24.430 -11.775 208 HA PHE 29 HA PHE 29 -10.289 26.074 -12.007 209 1HB PHE 29 1HB PHE 29 -9.961 24.561 -14.132 210 2HB PHE 29 2HB PHE 29 -11.362 23.704 -13.505 211 HD1 PHE 29 HD1 PHE 29 -7.798 24.366 -13.064 212 HD2 PHE 29 HD2 PHE 29 -11.303 22.705 -11.215 213 HE1 PHE 29 HE1 PHE 29 -6.371 23.170 -11.423 214 HE2 PHE 29 HE2 PHE 29 -9.875 21.513 -9.577 215 HZ PHE 29 HZ PHE 29 -7.408 21.745 -9.682 216 H ASP 30 H ASP 30 -13.290 26.048 -13.722 217 HA ASP 30 HA ASP 30 -12.398 27.590 -16.042 218 1HB ASP 30 1HB ASP 30 -15.268 27.536 -15.300 219 2HB ASP 30 2HB ASP 30 -14.528 25.962 -15.572 220 H ALA 31 H ALA 31 -11.716 28.903 -13.571 221 HA ALA 31 HA ALA 31 -13.642 30.934 -12.864 222 1HB ALA 31 1HB ALA 31 -11.743 30.212 -11.390 223 2HB ALA 31 2HB ALA 31 -11.827 31.960 -11.612 224 3HB ALA 31 3HB ALA 31 -10.631 31.015 -12.500 225 H ASP 32 H ASP 32 -11.284 30.655 -15.435 226 HA ASP 32 HA ASP 32 -11.214 33.536 -15.993 227 1HB ASP 32 1HB ASP 32 -10.356 31.399 -17.936 228 2HB ASP 32 2HB ASP 32 -9.385 31.731 -16.501 229 H GLY 33 H GLY 33 -12.979 30.698 -17.160 230 1HA GLY 33 1HA GLY 33 -14.621 32.532 -18.860 231 2HA GLY 33 2HA GLY 33 -15.247 31.087 -18.072 232 H GLY 34 H GLY 34 -12.217 30.254 -19.201 233 1HA GLY 34 1HA GLY 34 -11.450 29.185 -21.160 234 2HA GLY 34 2HA GLY 34 -12.868 29.802 -22.011 235 H GLY 35 H GLY 35 -13.906 28.005 -22.831 236 1HA GLY 35 1HA GLY 35 -14.954 25.907 -22.904 237 2HA GLY 35 2HA GLY 35 -15.333 26.193 -21.209 238 H ASP 36 H ASP 36 -11.967 26.083 -22.103 239 HA ASP 36 HA ASP 36 -11.767 23.308 -21.024 240 1HB ASP 36 1HB ASP 36 -9.876 22.953 -22.404 241 2HB ASP 36 2HB ASP 36 -9.644 24.673 -22.679 242 H ILE 37 H ILE 37 -9.588 22.939 -19.888 243 HA ILE 37 HA ILE 37 -9.055 25.252 -18.074 244 HB ILE 37 HB ILE 37 -8.155 22.401 -17.643 245 1HG1 ILE 37 1HG1 ILE 37 -10.215 22.071 -16.286 246 2HG1 ILE 37 2HG1 ILE 37 -10.587 22.320 -17.989 247 1HG2 ILE 37 1HG2 ILE 37 -8.679 24.775 -15.832 248 2HG2 ILE 37 2HG2 ILE 37 -7.127 24.015 -16.175 249 3HG2 ILE 37 3HG2 ILE 37 -8.343 23.149 -15.240 250 1HD1 ILE 37 1HD1 ILE 37 -11.821 23.676 -15.990 251 2HD1 ILE 37 2HD1 ILE 37 -11.600 24.342 -17.608 252 3HD1 ILE 37 3HD1 ILE 37 -10.481 24.775 -16.316 253 H SER 38 H SER 38 -6.793 25.707 -17.518 254 HA SER 38 HA SER 38 -4.793 24.602 -19.442 255 1HB SER 38 1HB SER 38 -3.840 26.946 -19.618 256 2HB SER 38 2HB SER 38 -5.295 27.529 -18.815 257 HG SER 38 HG SER 38 -5.488 27.590 -21.093 258 H THR 39 H THR 39 -2.478 25.494 -18.640 259 HA THR 39 HA THR 39 -2.123 24.470 -15.967 260 HB THR 39 HB THR 39 -0.335 24.329 -17.676 261 HG1 THR 39 HG1 THR 39 0.553 25.959 -15.547 262 1HG2 THR 39 1HG2 THR 39 0.951 26.276 -18.318 263 2HG2 THR 39 2HG2 THR 39 0.011 27.308 -17.243 264 3HG2 THR 39 3HG2 THR 39 -0.746 26.599 -18.671 265 H LYS 40 H LYS 40 -2.332 27.769 -17.285 266 HA LYS 40 HA LYS 40 -1.553 29.141 -14.894 267 1HB LYS 40 1HB LYS 40 -1.663 30.377 -16.979 268 2HB LYS 40 2HB LYS 40 -2.824 31.082 -15.857 269 1HG LYS 40 1HG LYS 40 -4.667 30.197 -16.999 270 2HG LYS 40 2HG LYS 40 -3.707 28.939 -17.778 271 1HD LYS 40 1HD LYS 40 -2.743 30.470 -19.308 272 2HD LYS 40 2HD LYS 40 -3.223 31.866 -18.343 273 1HE LYS 40 1HE LYS 40 -5.317 30.018 -19.469 274 2HE LYS 40 2HE LYS 40 -4.603 31.267 -20.486 275 1HZ LYS 40 1HZ LYS 40 -5.194 32.886 -18.712 276 2HZ LYS 40 2HZ LYS 40 -6.052 31.648 -17.925 277 3HZ LYS 40 3HZ LYS 40 -6.532 32.170 -19.468 278 H GLU 41 H GLU 41 -4.775 28.151 -16.092 279 HA GLU 41 HA GLU 41 -6.243 29.174 -13.838 280 1HB GLU 41 1HB GLU 41 -8.006 27.517 -14.597 281 2HB GLU 41 2HB GLU 41 -6.862 26.961 -15.819 282 1HG GLU 41 1HG GLU 41 -6.742 29.265 -16.732 283 2HG GLU 41 2HG GLU 41 -7.911 29.795 -15.523 284 H LEU 42 H LEU 42 -4.667 26.072 -14.519 285 HA LEU 42 HA LEU 42 -5.649 24.554 -12.337 286 1HB LEU 42 1HB LEU 42 -2.928 23.852 -12.730 287 2HB LEU 42 2HB LEU 42 -3.552 24.342 -14.303 288 HG LEU 42 HG LEU 42 -4.951 22.381 -12.471 289 1HD1 LEU 42 1HD1 LEU 42 -5.308 22.881 -15.438 290 2HD1 LEU 42 2HD1 LEU 42 -6.292 23.666 -14.202 291 3HD1 LEU 42 3HD1 LEU 42 -6.336 21.912 -14.382 292 1HD2 LEU 42 1HD2 LEU 42 -4.106 20.890 -14.575 293 2HD2 LEU 42 2HD2 LEU 42 -3.192 21.039 -13.074 294 3HD2 LEU 42 3HD2 LEU 42 -2.774 22.040 -14.465 295 H GLY 43 H GLY 43 -2.531 26.304 -12.520 296 1HA GLY 43 1HA GLY 43 -1.232 27.302 -10.849 297 2HA GLY 43 2HA GLY 43 -1.787 25.989 -9.813 298 H THR 44 H THR 44 -3.802 28.515 -11.326 299 HA THR 44 HA THR 44 -4.006 30.204 -9.022 300 HB THR 44 HB THR 44 -6.097 29.798 -11.186 301 HG1 THR 44 HG1 THR 44 -4.553 30.547 -12.389 302 1HG2 THR 44 1HG2 THR 44 -6.788 32.061 -10.617 303 2HG2 THR 44 2HG2 THR 44 -5.479 32.203 -9.445 304 3HG2 THR 44 3HG2 THR 44 -6.804 31.078 -9.154 305 H VAL 45 H VAL 45 -5.917 27.385 -10.059 306 HA VAL 45 HA VAL 45 -7.878 27.632 -7.946 307 HB VAL 45 HB VAL 45 -7.086 25.153 -9.514 308 1HG1 VAL 45 1HG1 VAL 45 -9.519 24.569 -9.020 309 2HG1 VAL 45 2HG1 VAL 45 -9.513 25.899 -7.863 310 3HG1 VAL 45 3HG1 VAL 45 -8.434 24.524 -7.632 311 1HG2 VAL 45 1HG2 VAL 45 -9.545 26.386 -10.361 312 2HG2 VAL 45 2HG2 VAL 45 -8.090 26.082 -11.308 313 3HG2 VAL 45 3HG2 VAL 45 -8.257 27.589 -10.409 314 H MET 46 H MET 46 -4.707 26.055 -8.178 315 HA MET 46 HA MET 46 -4.978 24.479 -5.775 316 1HB MET 46 1HB MET 46 -2.551 24.252 -5.869 317 2HB MET 46 2HB MET 46 -2.435 25.609 -6.987 318 1HG MET 46 1HG MET 46 -3.118 24.358 -8.773 319 2HG MET 46 2HG MET 46 -4.255 23.415 -7.811 320 1HE MET 46 1HE MET 46 -2.766 20.245 -7.221 321 2HE MET 46 2HE MET 46 -4.137 21.325 -7.454 322 3HE MET 46 3HE MET 46 -3.216 21.394 -5.953 323 NH1 ARG 47 NH1 ARG 47 -4.644 33.091 -4.619 324 NH2 ARG 47 NH2 ARG 47 -6.058 33.433 -6.361 325 H ARG 47 H ARG 47 -3.271 27.570 -6.360 326 HA ARG 47 HA ARG 47 -2.786 28.161 -3.602 327 1HB ARG 47 1HB ARG 47 -1.467 29.431 -5.064 328 2HB ARG 47 2HB ARG 47 -2.676 30.588 -4.517 329 1HG ARG 47 1HG ARG 47 -3.814 29.266 -6.709 330 2HG ARG 47 2HG ARG 47 -2.162 29.654 -7.192 331 1HD ARG 47 1HD ARG 47 -3.287 31.619 -7.770 332 2HD ARG 47 2HD ARG 47 -2.726 32.006 -6.144 333 HE ARG 47 HE ARG 47 -5.438 30.834 -6.396 334 1HH1 ARG 47 1HH1 ARG 47 -4.929 33.960 -4.215 335 2HH1 ARG 47 2HH1 ARG 47 -3.962 32.525 -4.155 336 1HH2 ARG 47 1HH2 ARG 47 -6.456 33.128 -7.227 337 2HH2 ARG 47 2HH2 ARG 47 -6.346 34.302 -5.959 338 H MET 48 H MET 48 -5.686 28.442 -5.515 339 HA MET 48 HA MET 48 -7.005 30.543 -4.098 340 1HB MET 48 1HB MET 48 -9.081 28.899 -4.690 341 2HB MET 48 2HB MET 48 -7.860 28.233 -5.775 342 1HG MET 48 1HG MET 48 -8.779 29.905 -7.109 343 2HG MET 48 2HG MET 48 -7.439 30.773 -6.361 344 1HE MET 48 1HE MET 48 -9.204 33.651 -6.331 345 2HE MET 48 2HE MET 48 -10.429 32.770 -7.242 346 3HE MET 48 3HE MET 48 -8.723 32.400 -7.486 347 H LEU 49 H LEU 49 -6.602 27.090 -3.430 348 HA LEU 49 HA LEU 49 -8.155 27.241 -0.931 349 1HB LEU 49 1HB LEU 49 -6.410 24.998 -2.004 350 2HB LEU 49 2HB LEU 49 -8.130 25.175 -2.354 351 HG LEU 49 HG LEU 49 -8.047 25.383 0.406 352 1HD1 LEU 49 1HD1 LEU 49 -8.974 23.073 0.355 353 2HD1 LEU 49 2HD1 LEU 49 -8.447 22.921 -1.320 354 3HD1 LEU 49 3HD1 LEU 49 -9.681 24.103 -0.890 355 1HD2 LEU 49 1HD2 LEU 49 -6.329 22.998 -0.223 356 2HD2 LEU 49 2HD2 LEU 49 -6.523 23.858 1.304 357 3HD2 LEU 49 3HD2 LEU 49 -5.566 24.571 0.006 358 H GLY 50 H GLY 50 -4.833 27.485 -2.033 359 1HA GLY 50 1HA GLY 50 -3.883 27.529 0.800 360 2HA GLY 50 2HA GLY 50 -3.454 28.823 -0.312 361 H GLN 51 H GLN 51 -3.271 26.620 -2.500 362 HA GLN 51 HA GLN 51 -0.851 25.186 -1.628 363 1HB GLN 51 1HB GLN 51 -1.679 24.860 -4.409 364 2HB GLN 51 2HB GLN 51 -2.974 24.509 -3.272 365 1HG GLN 51 1HG GLN 51 -1.818 22.444 -3.573 366 2HG GLN 51 2HG GLN 51 -1.285 23.060 -2.010 367 1HE2 GLN 51 1HE2 GLN 51 -0.296 23.145 -5.496 368 2HE2 GLN 51 2HE2 GLN 51 1.368 23.141 -5.164 369 H ASN 52 H ASN 52 1.176 25.432 -2.692 370 HA ASN 52 HA ASN 52 1.393 27.846 -4.451 371 1HB ASN 52 1HB ASN 52 3.815 27.869 -3.371 372 2HB ASN 52 2HB ASN 52 3.009 27.000 -2.067 373 1HD2 ASN 52 1HD2 ASN 52 4.030 29.960 -2.501 374 2HD2 ASN 52 2HD2 ASN 52 2.732 30.886 -1.919 375 HA PRO 53 HA PRO 53 3.176 24.123 -6.563 376 1HB PRO 53 1HB PRO 53 1.132 23.363 -7.323 377 2HB PRO 53 2HB PRO 53 1.570 24.259 -8.785 378 1HG PRO 53 1HG PRO 53 -0.699 24.759 -7.262 379 2HG PRO 53 2HG PRO 53 0.063 25.956 -8.320 380 1HD PRO 53 1HD PRO 53 -0.030 25.879 -5.388 381 2HD PRO 53 2HD PRO 53 0.506 27.201 -6.444 382 H THR 54 H THR 54 4.323 24.133 -8.721 383 HA THR 54 HA THR 54 5.350 26.830 -9.326 384 HB THR 54 HB THR 54 6.284 24.493 -10.905 385 HG1 THR 54 HG1 THR 54 6.503 23.334 -9.167 386 1HG2 THR 54 1HG2 THR 54 8.336 25.598 -10.790 387 2HG2 THR 54 2HG2 THR 54 7.936 26.386 -9.265 388 3HG2 THR 54 3HG2 THR 54 7.188 26.936 -10.764 389 H LYS 55 H LYS 55 5.060 27.873 -11.302 390 HA LYS 55 HA LYS 55 2.694 27.251 -12.820 391 1HB LYS 55 1HB LYS 55 3.667 29.023 -14.410 392 2HB LYS 55 2HB LYS 55 4.991 29.167 -13.253 393 1HG LYS 55 1HG LYS 55 3.271 29.594 -11.458 394 2HG LYS 55 2HG LYS 55 2.041 29.634 -12.721 395 1HD LYS 55 1HD LYS 55 3.310 31.471 -13.841 396 2HD LYS 55 2HD LYS 55 4.450 31.464 -12.495 397 1HE LYS 55 1HE LYS 55 2.987 33.124 -11.790 398 2HE LYS 55 2HE LYS 55 2.230 31.711 -11.057 399 1HZ LYS 55 1HZ LYS 55 0.620 33.071 -12.243 400 2HZ LYS 55 2HZ LYS 55 0.765 31.541 -12.966 401 3HZ LYS 55 3HZ LYS 55 1.498 32.896 -13.682 402 H GLU 56 H GLU 56 6.177 26.936 -13.585 403 HA GLU 56 HA GLU 56 5.722 25.734 -16.176 404 1HB GLU 56 1HB GLU 56 7.849 26.821 -15.703 405 2HB GLU 56 2HB GLU 56 8.138 25.118 -16.052 406 1HG GLU 56 1HG GLU 56 7.881 24.888 -13.411 407 2HG GLU 56 2HG GLU 56 8.350 26.588 -13.448 408 H GLU 57 H GLU 57 5.871 24.456 -12.908 409 HA GLU 57 HA GLU 57 6.316 21.692 -13.656 410 1HB GLU 57 1HB GLU 57 4.915 22.690 -11.160 411 2HB GLU 57 2HB GLU 57 6.668 22.694 -11.340 412 1HG GLU 57 1HG GLU 57 5.070 20.181 -11.823 413 2HG GLU 57 2HG GLU 57 5.564 20.641 -10.194 414 H LEU 58 H LEU 58 3.432 23.658 -12.965 415 HA LEU 58 HA LEU 58 1.542 21.516 -13.328 416 1HB LEU 58 1HB LEU 58 0.156 23.815 -13.950 417 2HB LEU 58 2HB LEU 58 1.469 24.431 -12.947 418 HG LEU 58 HG LEU 58 0.905 22.650 -11.255 419 1HD1 LEU 58 1HD1 LEU 58 -1.530 23.785 -10.877 420 2HD1 LEU 58 2HD1 LEU 58 -0.834 24.929 -12.024 421 3HD1 LEU 58 3HD1 LEU 58 -0.015 24.603 -10.496 422 1HD2 LEU 58 1HD2 LEU 58 -0.573 21.028 -11.771 423 2HD2 LEU 58 2HD2 LEU 58 -0.683 21.696 -13.399 424 3HD2 LEU 58 3HD2 LEU 58 -1.809 22.227 -12.149 425 H ASP 59 H ASP 59 3.052 23.834 -15.519 426 HA ASP 59 HA ASP 59 1.394 23.356 -17.803 427 1HB ASP 59 1HB ASP 59 4.345 24.073 -17.789 428 2HB ASP 59 2HB ASP 59 3.041 25.244 -17.597 429 H ALA 60 H ALA 60 4.224 21.676 -16.488 430 HA ALA 60 HA ALA 60 4.556 19.873 -18.738 431 1HB ALA 60 1HB ALA 60 5.892 18.518 -17.070 432 2HB ALA 60 2HB ALA 60 5.451 19.704 -15.842 433 3HB ALA 60 3HB ALA 60 6.425 20.192 -17.228 434 H ILE 61 H ILE 61 2.654 19.886 -15.775 435 HA ILE 61 HA ILE 61 1.796 17.152 -15.810 436 HB ILE 61 HB ILE 61 0.712 19.712 -14.633 437 1HG1 ILE 61 1HG1 ILE 61 2.703 18.235 -13.755 438 2HG1 ILE 61 2HG1 ILE 61 1.416 17.180 -13.170 439 1HG2 ILE 61 1HG2 ILE 61 -0.608 16.983 -14.666 440 2HG2 ILE 61 2HG2 ILE 61 -1.318 18.537 -15.103 441 3HG2 ILE 61 3HG2 ILE 61 -0.949 18.180 -13.416 442 1HD1 ILE 61 1HD1 ILE 61 2.073 20.000 -12.368 443 2HD1 ILE 61 2HD1 ILE 61 1.710 18.610 -11.346 444 3HD1 ILE 61 3HD1 ILE 61 0.413 19.425 -12.219 445 H ILE 62 H ILE 62 0.719 20.034 -17.556 446 HA ILE 62 HA ILE 62 -1.796 19.003 -18.500 447 HB ILE 62 HB ILE 62 0.033 20.999 -19.869 448 1HG1 ILE 62 1HG1 ILE 62 -0.621 22.629 -18.399 449 2HG1 ILE 62 2HG1 ILE 62 -0.853 21.268 -17.311 450 1HG2 ILE 62 1HG2 ILE 62 -2.969 20.571 -20.017 451 2HG2 ILE 62 2HG2 ILE 62 -1.806 20.169 -21.278 452 3HG2 ILE 62 3HG2 ILE 62 -2.078 21.854 -20.837 453 1HD1 ILE 62 1HD1 ILE 62 -2.953 22.710 -18.940 454 2HD1 ILE 62 2HD1 ILE 62 -2.867 22.546 -17.186 455 3HD1 ILE 62 3HD1 ILE 62 -3.251 21.144 -18.185 456 H GLU 63 H GLU 63 1.543 18.687 -19.617 457 HA GLU 63 HA GLU 63 1.066 17.620 -22.214 458 1HB GLU 63 1HB GLU 63 3.309 16.292 -21.027 459 2HB GLU 63 2HB GLU 63 3.297 17.961 -20.460 460 1HG GLU 63 1HG GLU 63 3.132 18.755 -22.784 461 2HG GLU 63 2HG GLU 63 3.098 17.088 -23.356 462 H GLU 64 H GLU 64 1.020 16.125 -19.010 463 HA GLU 64 HA GLU 64 0.921 13.383 -19.825 464 1HB GLU 64 1HB GLU 64 -0.736 14.050 -17.484 465 2HB GLU 64 2HB GLU 64 0.893 14.719 -17.404 466 1HG GLU 64 1HG GLU 64 1.833 12.477 -17.847 467 2HG GLU 64 2HG GLU 64 0.203 11.809 -17.938 468 H VAL 65 H VAL 65 -1.619 15.836 -19.423 469 HA VAL 65 HA VAL 65 -3.838 14.055 -19.953 470 HB VAL 65 HB VAL 65 -3.691 17.059 -20.364 471 1HG1 VAL 65 1HG1 VAL 65 -6.192 16.751 -19.724 472 2HG1 VAL 65 2HG1 VAL 65 -5.938 15.057 -20.137 473 3HG1 VAL 65 3HG1 VAL 65 -5.695 16.308 -21.355 474 1HG2 VAL 65 1HG2 VAL 65 -4.144 15.362 -17.907 475 2HG2 VAL 65 2HG2 VAL 65 -4.827 16.984 -18.024 476 3HG2 VAL 65 3HG2 VAL 65 -3.080 16.756 -18.103 477 H ASP 66 H ASP 66 -1.558 15.777 -21.957 478 HA ASP 66 HA ASP 66 -3.062 15.762 -24.414 479 1HB ASP 66 1HB ASP 66 -0.043 15.762 -24.168 480 2HB ASP 66 2HB ASP 66 -1.009 17.196 -23.830 481 H GLU 67 H GLU 67 -3.793 13.453 -24.035 482 HA GLU 67 HA GLU 67 -1.949 11.256 -24.380 483 1HB GLU 67 1HB GLU 67 -4.287 10.150 -25.081 484 2HB GLU 67 2HB GLU 67 -4.911 11.609 -24.319 485 1HG GLU 67 1HG GLU 67 -3.159 10.951 -22.430 486 2HG GLU 67 2HG GLU 67 -3.377 9.337 -23.112 487 H ASP 68 H ASP 68 -4.292 12.814 -26.597 488 HA ASP 68 HA ASP 68 -2.977 11.419 -28.876 489 1HB ASP 68 1HB ASP 68 -5.421 13.119 -29.208 490 2HB ASP 68 2HB ASP 68 -5.587 11.566 -28.388 491 H GLY 69 H GLY 69 -4.019 14.701 -27.861 492 1HA GLY 69 1HA GLY 69 -2.493 15.892 -30.095 493 2HA GLY 69 2HA GLY 69 -1.877 16.227 -28.478 494 H SER 70 H SER 70 -3.857 16.874 -26.921 495 HA SER 70 HA SER 70 -5.778 18.632 -28.354 496 1HB SER 70 1HB SER 70 -6.293 18.906 -25.649 497 2HB SER 70 2HB SER 70 -5.717 17.245 -25.761 498 HG SER 70 HG SER 70 -7.360 16.705 -26.999 499 H GLY 71 H GLY 71 -3.408 18.832 -25.672 500 1HA GLY 71 1HA GLY 71 -3.110 21.749 -26.284 501 2HA GLY 71 2HA GLY 71 -1.760 20.724 -25.786 502 H THR 72 H THR 72 -4.763 22.231 -24.718 503 HA THR 72 HA THR 72 -3.767 22.226 -21.926 504 HB THR 72 HB THR 72 -5.546 23.847 -21.509 505 HG1 THR 72 HG1 THR 72 -7.258 23.665 -22.685 506 1HG2 THR 72 1HG2 THR 72 -3.364 24.435 -22.816 507 2HG2 THR 72 2HG2 THR 72 -4.663 25.625 -22.741 508 3HG2 THR 72 3HG2 THR 72 -4.451 24.643 -24.190 509 H ILE 73 H ILE 73 -6.121 22.135 -20.436 510 HA ILE 73 HA ILE 73 -6.911 19.305 -20.876 511 HB ILE 73 HB ILE 73 -7.912 20.964 -18.588 512 1HG1 ILE 73 1HG1 ILE 73 -5.428 21.353 -18.778 513 2HG1 ILE 73 2HG1 ILE 73 -5.192 19.611 -18.653 514 1HG2 ILE 73 1HG2 ILE 73 -7.265 18.539 -17.591 515 2HG2 ILE 73 2HG2 ILE 73 -7.543 18.100 -19.276 516 3HG2 ILE 73 3HG2 ILE 73 -8.821 18.881 -18.347 517 1HD1 ILE 73 1HD1 ILE 73 -6.555 21.370 -16.584 518 2HD1 ILE 73 2HD1 ILE 73 -4.926 20.706 -16.452 519 3HD1 ILE 73 3HD1 ILE 73 -6.321 19.627 -16.452 520 H ASP 74 H ASP 74 -8.935 18.732 -21.505 521 HA ASP 74 HA ASP 74 -10.852 20.916 -22.167 522 1HB ASP 74 1HB ASP 74 -11.922 19.137 -23.611 523 2HB ASP 74 2HB ASP 74 -10.585 18.076 -23.184 524 H PHE 75 H PHE 75 -13.249 19.954 -22.111 525 HA PHE 75 HA PHE 75 -13.813 19.351 -19.337 526 1HB PHE 75 1HB PHE 75 -15.691 19.164 -21.714 527 2HB PHE 75 2HB PHE 75 -15.370 20.647 -20.817 528 HD1 PHE 75 HD1 PHE 75 -17.220 17.529 -20.889 529 HD2 PHE 75 HD2 PHE 75 -15.920 20.733 -18.344 530 HE1 PHE 75 HE1 PHE 75 -18.922 16.883 -19.205 531 HE2 PHE 75 HE2 PHE 75 -17.621 20.087 -16.660 532 HZ PHE 75 HZ PHE 75 -19.123 18.163 -17.091 533 H GLU 76 H GLU 76 -14.120 17.450 -22.357 534 HA GLU 76 HA GLU 76 -14.870 15.019 -20.999 535 1HB GLU 76 1HB GLU 76 -15.264 15.380 -23.432 536 2HB GLU 76 2HB GLU 76 -14.370 13.893 -23.122 537 1HG GLU 76 1HG GLU 76 -12.807 14.642 -24.569 538 2HG GLU 76 2HG GLU 76 -12.395 15.878 -23.381 539 H GLU 77 H GLU 77 -11.820 16.629 -21.492 540 HA GLU 77 HA GLU 77 -10.151 14.282 -20.997 541 1HB GLU 77 1HB GLU 77 -8.350 15.982 -20.590 542 2HB GLU 77 2HB GLU 77 -9.558 17.250 -20.777 543 1HG GLU 77 1HG GLU 77 -8.673 17.122 -22.941 544 2HG GLU 77 2HG GLU 77 -10.059 16.039 -23.064 545 H PHE 78 H PHE 78 -11.695 16.845 -19.185 546 HA PHE 78 HA PHE 78 -10.548 16.286 -16.613 547 1HB PHE 78 1HB PHE 78 -13.079 17.663 -17.549 548 2HB PHE 78 2HB PHE 78 -11.595 18.414 -16.981 549 HD1 PHE 78 HD1 PHE 78 -14.838 17.239 -16.052 550 HD2 PHE 78 HD2 PHE 78 -10.878 17.904 -14.524 551 HE1 PHE 78 HE1 PHE 78 -15.729 17.238 -13.740 552 HE2 PHE 78 HE2 PHE 78 -11.773 17.900 -12.211 553 HZ PHE 78 HZ PHE 78 -14.199 17.568 -11.819 554 H LEU 79 H LEU 79 -13.338 15.048 -18.426 555 HA LEU 79 HA LEU 79 -14.453 13.511 -16.227 556 1HB LEU 79 1HB LEU 79 -15.803 12.410 -17.949 557 2HB LEU 79 2HB LEU 79 -14.761 13.069 -19.207 558 HG LEU 79 HG LEU 79 -15.405 15.371 -18.479 559 1HD1 LEU 79 1HD1 LEU 79 -17.352 15.375 -19.735 560 2HD1 LEU 79 2HD1 LEU 79 -17.974 13.915 -18.968 561 3HD1 LEU 79 3HD1 LEU 79 -16.698 13.800 -20.179 562 1HD2 LEU 79 1HD2 LEU 79 -17.669 15.233 -17.061 563 2HD2 LEU 79 2HD2 LEU 79 -16.095 15.313 -16.269 564 3HD2 LEU 79 3HD2 LEU 79 -16.909 13.762 -16.457 565 H VAL 80 H VAL 80 -12.530 12.573 -19.116 566 HA VAL 80 HA VAL 80 -12.154 9.850 -18.319 567 HB VAL 80 HB VAL 80 -11.751 10.776 -20.633 568 1HG1 VAL 80 1HG1 VAL 80 -10.450 12.768 -19.922 569 2HG1 VAL 80 2HG1 VAL 80 -9.587 11.803 -21.117 570 3HG1 VAL 80 3HG1 VAL 80 -9.135 11.708 -19.415 571 1HG2 VAL 80 1HG2 VAL 80 -10.689 8.599 -19.448 572 2HG2 VAL 80 2HG2 VAL 80 -9.199 9.450 -19.854 573 3HG2 VAL 80 3HG2 VAL 80 -10.345 9.025 -21.124 574 H MET 81 H MET 81 -10.520 12.820 -17.429 575 HA MET 81 HA MET 81 -8.165 11.639 -16.269 576 1HB MET 81 1HB MET 81 -9.580 14.278 -16.115 577 2HB MET 81 2HB MET 81 -7.922 13.929 -16.585 578 1HG MET 81 1HG MET 81 -7.672 13.199 -14.065 579 2HG MET 81 2HG MET 81 -9.096 14.217 -13.849 580 1HE MET 81 1HE MET 81 -8.153 17.698 -14.496 581 2HE MET 81 2HE MET 81 -9.363 16.455 -14.197 582 3HE MET 81 3HE MET 81 -8.772 16.721 -15.835 583 H MET 82 H MET 82 -11.384 12.531 -15.013 584 HA MET 82 HA MET 82 -10.847 11.653 -12.295 585 1HB MET 82 1HB MET 82 -13.552 11.798 -13.663 586 2HB MET 82 2HB MET 82 -12.721 13.222 -13.039 587 1HG MET 82 1HG MET 82 -13.149 10.824 -11.269 588 2HG MET 82 2HG MET 82 -14.448 11.991 -11.508 589 1HE MET 82 1HE MET 82 -12.015 11.125 -8.897 590 2HE MET 82 2HE MET 82 -13.753 11.413 -8.897 591 3HE MET 82 3HE MET 82 -12.691 12.476 -7.978 592 H VAL 83 H VAL 83 -11.926 10.107 -15.260 593 HA VAL 83 HA VAL 83 -12.866 7.645 -14.096 594 HB VAL 83 HB VAL 83 -12.136 8.630 -16.841 595 1HG1 VAL 83 1HG1 VAL 83 -11.179 6.417 -16.906 596 2HG1 VAL 83 2HG1 VAL 83 -12.747 6.330 -17.706 597 3HG1 VAL 83 3HG1 VAL 83 -12.564 5.732 -16.059 598 1HG2 VAL 83 1HG2 VAL 83 -14.602 7.136 -15.957 599 2HG2 VAL 83 2HG2 VAL 83 -14.425 8.290 -17.278 600 3HG2 VAL 83 3HG2 VAL 83 -14.411 8.853 -15.607 601 NH1 ARG 84 NH1 ARG 84 -3.530 7.272 -15.326 602 NH2 ARG 84 NH2 ARG 84 -2.568 8.942 -16.526 603 H ARG 84 H ARG 84 -9.674 8.839 -15.033 604 HA ARG 84 HA ARG 84 -8.526 6.133 -14.515 605 1HB ARG 84 1HB ARG 84 -7.907 7.111 -16.675 606 2HB ARG 84 2HB ARG 84 -6.493 6.985 -15.632 607 1HG ARG 84 1HG ARG 84 -7.876 9.527 -15.270 608 2HG ARG 84 2HG ARG 84 -7.383 9.290 -16.944 609 1HD ARG 84 1HD ARG 84 -5.551 8.962 -14.548 610 2HD ARG 84 2HD ARG 84 -5.628 10.406 -15.555 611 HE ARG 84 HE ARG 84 -5.088 8.594 -17.452 612 1HH1 ARG 84 1HH1 ARG 84 -1.663 8.638 -16.227 613 2HH1 ARG 84 2HH1 ARG 84 -2.652 9.731 -17.134 614 1HH2 ARG 84 1HH2 ARG 84 -4.349 6.788 -15.019 615 2HH2 ARG 84 2HH2 ARG 84 -2.627 6.965 -15.024 616 H GLN 85 H GLN 85 -9.253 8.704 -12.698 617 HA GLN 85 HA GLN 85 -6.661 8.829 -11.243 618 1HB GLN 85 1HB GLN 85 -8.220 10.554 -9.886 619 2HB GLN 85 2HB GLN 85 -9.062 10.589 -11.435 620 1HG GLN 85 1HG GLN 85 -7.248 11.503 -12.553 621 2HG GLN 85 2HG GLN 85 -6.074 10.798 -11.440 622 1HE2 GLN 85 1HE2 GLN 85 -6.665 13.722 -12.337 623 2HE2 GLN 85 2HE2 GLN 85 -6.769 14.570 -10.873 624 H MET 86 H MET 86 -10.060 7.894 -10.886 625 HA MET 86 HA MET 86 -9.893 7.209 -8.081 626 1HB MET 86 1HB MET 86 -11.777 5.838 -9.990 627 2HB MET 86 2HB MET 86 -11.996 7.549 -9.622 628 1HG MET 86 1HG MET 86 -11.556 5.735 -7.300 629 2HG MET 86 2HG MET 86 -13.102 5.584 -8.135 630 1HE MET 86 1HE MET 86 -14.404 7.478 -8.929 631 2HE MET 86 2HE MET 86 -14.857 8.819 -7.881 632 3HE MET 86 3HE MET 86 -15.169 7.164 -7.367 633 H LYS 87 H LYS 87 -9.035 5.579 -11.066 634 HA LYS 87 HA LYS 87 -8.899 2.897 -10.019 635 1HB LYS 87 1HB LYS 87 -7.466 2.466 -12.024 636 2HB LYS 87 2HB LYS 87 -7.468 4.199 -12.353 637 1HG LYS 87 1HG LYS 87 -10.003 4.080 -12.391 638 2HG LYS 87 2HG LYS 87 -9.850 2.324 -12.333 639 1HD LYS 87 1HD LYS 87 -8.371 3.931 -14.413 640 2HD LYS 87 2HD LYS 87 -10.056 3.473 -14.662 641 1HE LYS 87 1HE LYS 87 -9.436 1.093 -14.282 642 2HE LYS 87 2HE LYS 87 -7.750 1.578 -14.108 643 1HZ LYS 87 1HZ LYS 87 -7.860 2.512 -16.363 644 2HZ LYS 87 2HZ LYS 87 -9.446 1.924 -16.521 645 3HZ LYS 87 3HZ LYS 87 -8.150 0.842 -16.343 646 H GLU 88 H GLU 88 -6.700 5.628 -9.952 647 HA GLU 88 HA GLU 88 -4.292 4.219 -9.302 648 1HB GLU 88 1HB GLU 88 -4.769 6.925 -8.135 649 2HB GLU 88 2HB GLU 88 -4.798 6.785 -9.892 650 1HG GLU 88 1HG GLU 88 -2.573 5.360 -9.412 651 2HG GLU 88 2HG GLU 88 -2.531 6.403 -7.989 652 H ASP 89 H ASP 89 -6.804 5.689 -7.252 653 HA ASP 89 HA ASP 89 -5.569 4.980 -4.745 654 1HB ASP 89 1HB ASP 89 -8.534 5.364 -5.214 655 2HB ASP 89 2HB ASP 89 -7.407 6.718 -5.133 656 H ALA 90 H ALA 90 -8.046 3.411 -6.775 657 HA ALA 90 HA ALA 90 -8.415 1.183 -4.938 658 1HB ALA 90 1HB ALA 90 -10.120 2.026 -6.624 659 2HB ALA 90 2HB ALA 90 -9.873 0.279 -6.608 660 3HB ALA 90 3HB ALA 90 -9.137 1.263 -7.874 661 H LYS 91 H LYS 91 -5.811 1.945 -6.911 662 HA LYS 91 HA LYS 91 -5.225 -0.648 -8.053 663 1HB LYS 91 1HB LYS 91 -3.084 1.339 -7.352 664 2HB LYS 91 2HB LYS 91 -4.251 1.739 -8.611 665 1HG LYS 91 1HG LYS 91 -3.179 -0.983 -8.857 666 2HG LYS 91 2HG LYS 91 -1.937 0.264 -8.979 667 1HD LYS 91 1HD LYS 91 -3.443 1.441 -10.653 668 2HD LYS 91 2HD LYS 91 -4.454 -0.004 -10.645 669 1HE LYS 91 1HE LYS 91 -1.484 -0.197 -11.148 670 2HE LYS 91 2HE LYS 91 -2.598 0.189 -12.461 671 1HZ LYS 91 1HZ LYS 91 -2.265 -2.167 -12.377 672 2HZ LYS 91 2HZ LYS 91 -3.854 -1.832 -11.879 673 3HZ LYS 91 3HZ LYS 91 -2.665 -2.223 -10.730 674 H GLY 92 H GLY 92 -4.857 0.748 -4.889 675 1HA GLY 92 1HA GLY 92 -3.361 -1.689 -4.020 676 2HA GLY 92 2HA GLY 92 -4.514 -0.820 -3.008 677 H LYS 93 H LYS 93 -3.475 1.845 -3.896 678 HA LYS 93 HA LYS 93 -0.690 2.089 -3.382 679 1HB LYS 93 1HB LYS 93 -1.965 3.903 -4.403 680 2HB LYS 93 2HB LYS 93 -1.206 4.474 -2.925 681 1HG LYS 93 1HG LYS 93 -3.326 4.161 -1.703 682 2HG LYS 93 2HG LYS 93 -4.091 3.578 -3.180 683 1HD LYS 93 1HD LYS 93 -4.700 5.799 -3.310 684 2HD LYS 93 2HD LYS 93 -3.138 5.897 -4.123 685 1HE LYS 93 1HE LYS 93 -2.366 6.149 -1.521 686 2HE LYS 93 2HE LYS 93 -3.956 6.908 -1.459 687 1HZ LYS 93 1HZ LYS 93 -1.803 7.600 -3.386 688 2HZ LYS 93 2HZ LYS 93 -2.208 8.497 -2.001 689 3HZ LYS 93 3HZ LYS 93 -3.322 8.348 -3.275 690 H SER 94 H SER 94 -3.473 2.085 -1.159 691 HA SER 94 HA SER 94 -1.927 2.756 1.198 692 1HB SER 94 1HB SER 94 -4.310 3.120 1.263 693 2HB SER 94 2HB SER 94 -3.949 1.839 2.417 694 HG SER 94 HG SER 94 -5.672 1.186 1.165 695 H GLU 95 H GLU 95 -2.811 -0.274 -0.421 696 HA GLU 95 HA GLU 95 -1.858 -2.021 1.683 697 1HB GLU 95 1HB GLU 95 -1.876 -3.743 -0.212 698 2HB GLU 95 2HB GLU 95 -2.476 -2.447 -1.246 699 1HG GLU 95 1HG GLU 95 -3.948 -2.516 1.250 700 2HG GLU 95 2HG GLU 95 -3.995 -4.097 0.469 701 H GLU 96 H GLU 96 -0.001 0.122 0.096 702 HA GLU 96 HA GLU 96 2.120 -1.294 -1.105 703 1HB GLU 96 1HB GLU 96 1.963 1.145 -1.224 704 2HB GLU 96 2HB GLU 96 3.517 0.685 -0.530 705 1HG GLU 96 1HG GLU 96 2.531 1.024 1.754 706 2HG GLU 96 2HG GLU 96 1.062 1.625 0.990 707 H GLU 97 H GLU 97 1.376 -0.852 2.320 708 HA GLU 97 HA GLU 97 3.918 -1.559 3.401 709 1HB GLU 97 1HB GLU 97 2.197 -2.476 5.281 710 2HB GLU 97 2HB GLU 97 1.112 -1.434 4.367 711 1HG GLU 97 1HG GLU 97 3.800 -0.589 5.499 712 2HG GLU 97 2HG GLU 97 2.235 -0.210 6.216 713 H LEU 98 H LEU 98 1.011 -3.648 2.983 714 HA LEU 98 HA LEU 98 2.502 -6.067 3.534 715 1HB LEU 98 1HB LEU 98 0.063 -5.956 3.886 716 2HB LEU 98 2HB LEU 98 0.482 -7.261 2.783 717 HG LEU 98 HG LEU 98 0.119 -5.133 1.062 718 1HD1 LEU 98 1HD1 LEU 98 -2.349 -6.297 1.065 719 2HD1 LEU 98 2HD1 LEU 98 -1.402 -7.522 1.908 720 3HD1 LEU 98 3HD1 LEU 98 -0.930 -7.000 0.292 721 1HD2 LEU 98 1HD2 LEU 98 -2.323 -4.497 1.980 722 2HD2 LEU 98 2HD2 LEU 98 -0.895 -3.555 2.405 723 3HD2 LEU 98 3HD2 LEU 98 -1.522 -4.761 3.527 724 H ALA 99 H ALA 99 1.951 -4.177 0.638 725 HA ALA 99 HA ALA 99 2.502 -6.179 -1.333 726 1HB ALA 99 1HB ALA 99 3.184 -3.224 -1.465 727 2HB ALA 99 2HB ALA 99 1.591 -3.891 -1.824 728 3HB ALA 99 3HB ALA 99 2.973 -4.317 -2.832 729 H ASN 100 H ASN 100 4.602 -4.136 0.657 730 HA ASN 100 HA ASN 100 7.087 -4.744 -0.641 731 1HB ASN 100 1HB ASN 100 8.032 -4.203 1.706 732 2HB ASN 100 2HB ASN 100 6.362 -3.884 2.169 733 1HD2 ASN 100 1HD2 ASN 100 8.532 -1.878 2.020 734 2HD2 ASN 100 2HD2 ASN 100 8.055 -0.734 0.861 735 H CYS 101 H CYS 101 5.349 -6.252 2.092 736 HA CYS 101 HA CYS 101 7.269 -8.331 2.594 737 1HB CYS 101 1HB CYS 101 5.253 -9.510 3.632 738 2HB CYS 101 2HB CYS 101 4.293 -8.118 3.130 739 HG CYS 101 HG CYS 101 5.795 -6.606 4.670 740 H PHE 102 H PHE 102 4.466 -8.065 0.434 741 HA PHE 102 HA PHE 102 4.335 -10.743 -0.506 742 1HB PHE 102 1HB PHE 102 3.840 -8.158 -2.027 743 2HB PHE 102 2HB PHE 102 2.653 -8.997 -1.034 744 HD1 PHE 102 HD1 PHE 102 1.887 -11.308 -1.698 745 HD2 PHE 102 HD2 PHE 102 4.311 -8.854 -4.258 746 HE1 PHE 102 HE1 PHE 102 1.250 -12.705 -3.645 747 HE2 PHE 102 HE2 PHE 102 3.677 -10.253 -6.201 748 HZ PHE 102 HZ PHE 102 2.137 -12.179 -5.897 749 NH1 ARG 103 NH1 ARG 103 8.287 -3.226 -4.097 750 NH2 ARG 103 NH2 ARG 103 6.566 -4.692 -3.928 751 H ARG 103 H ARG 103 6.316 -7.978 -1.598 752 HA ARG 103 HA ARG 103 7.644 -9.444 -3.720 753 1HB ARG 103 1HB ARG 103 9.087 -7.181 -2.462 754 2HB ARG 103 2HB ARG 103 7.471 -6.801 -3.058 755 1HG ARG 103 1HG ARG 103 8.050 -7.655 -5.270 756 2HG ARG 103 2HG ARG 103 9.632 -8.174 -4.687 757 1HD ARG 103 1HD ARG 103 10.150 -6.114 -5.654 758 2HD ARG 103 2HD ARG 103 9.871 -5.646 -3.977 759 HE ARG 103 HE ARG 103 8.021 -5.139 -6.244 760 1HH1 ARG 103 1HH1 ARG 103 7.840 -2.623 -3.437 761 2HH1 ARG 103 2HH1 ARG 103 9.169 -2.966 -4.493 762 1HH2 ARG 103 1HH2 ARG 103 6.131 -5.551 -4.194 763 2HH2 ARG 103 2HH2 ARG 103 6.118 -4.089 -3.267 764 H ILE 104 H ILE 104 8.388 -8.806 -0.301 765 HA ILE 104 HA ILE 104 11.055 -9.823 -0.283 766 HB ILE 104 HB ILE 104 8.932 -9.745 1.885 767 1HG1 ILE 104 1HG1 ILE 104 10.049 -7.625 0.794 768 2HG1 ILE 104 2HG1 ILE 104 11.447 -8.097 1.760 769 1HG2 ILE 104 1HG2 ILE 104 10.967 -10.016 3.418 770 2HG2 ILE 104 2HG2 ILE 104 11.842 -10.574 1.993 771 3HG2 ILE 104 3HG2 ILE 104 10.437 -11.469 2.572 772 1HD1 ILE 104 1HD1 ILE 104 8.912 -6.893 2.609 773 2HD1 ILE 104 2HD1 ILE 104 10.460 -6.958 3.452 774 3HD1 ILE 104 3HD1 ILE 104 9.342 -8.318 3.554 775 H PHE 105 H PHE 105 7.906 -11.463 -0.018 776 HA PHE 105 HA PHE 105 8.993 -14.059 0.627 777 1HB PHE 105 1HB PHE 105 6.677 -14.770 -0.420 778 2HB PHE 105 2HB PHE 105 6.345 -13.039 -0.359 779 HD1 PHE 105 HD1 PHE 105 7.598 -15.865 1.759 780 HD2 PHE 105 HD2 PHE 105 5.591 -12.069 1.641 781 HE1 PHE 105 HE1 PHE 105 7.106 -16.048 4.182 782 HE2 PHE 105 HE2 PHE 105 5.101 -12.252 4.064 783 HZ PHE 105 HZ PHE 105 5.859 -14.242 5.335 784 H ASP 106 H ASP 106 8.192 -12.404 -2.434 785 HA ASP 106 HA ASP 106 8.983 -14.797 -3.975 786 1HB ASP 106 1HB ASP 106 8.127 -12.037 -4.910 787 2HB ASP 106 2HB ASP 106 7.076 -13.443 -4.766 788 H LYS 107 H LYS 107 11.200 -14.997 -3.515 789 HA LYS 107 HA LYS 107 13.076 -12.800 -3.710 790 1HB LYS 107 1HB LYS 107 14.801 -14.557 -3.589 791 2HB LYS 107 2HB LYS 107 13.563 -15.789 -3.842 792 1HG LYS 107 1HG LYS 107 12.456 -15.171 -1.776 793 2HG LYS 107 2HG LYS 107 13.549 -13.805 -1.548 794 1HD LYS 107 1HD LYS 107 15.395 -15.216 -1.091 795 2HD LYS 107 2HD LYS 107 14.596 -16.628 -1.783 796 1HE LYS 107 1HE LYS 107 14.368 -16.994 0.525 797 2HE LYS 107 2HE LYS 107 12.828 -16.245 0.104 798 1HZ LYS 107 1HZ LYS 107 13.888 -15.277 2.093 799 2HZ LYS 107 2HZ LYS 107 13.624 -14.139 0.861 800 3HZ LYS 107 3HZ LYS 107 15.183 -14.757 1.131 801 H ASN 108 H ASN 108 11.433 -14.544 -6.120 802 HA ASN 108 HA ASN 108 13.594 -14.396 -8.113 803 1HB ASN 108 1HB ASN 108 11.760 -15.210 -9.667 804 2HB ASN 108 2HB ASN 108 10.690 -15.248 -8.266 805 1HD2 ASN 108 1HD2 ASN 108 13.508 -16.792 -9.764 806 2HD2 ASN 108 2HD2 ASN 108 13.559 -18.124 -8.712 807 H ALA 109 H ALA 109 10.951 -12.422 -7.004 808 HA ALA 109 HA ALA 109 10.191 -10.322 -7.674 809 1HB ALA 109 1HB ALA 109 12.636 -10.066 -9.412 810 2HB ALA 109 2HB ALA 109 12.781 -10.039 -7.654 811 3HB ALA 109 3HB ALA 109 11.806 -8.822 -8.477 812 H ASP 110 H ASP 110 9.012 -12.343 -9.069 813 HA ASP 110 HA ASP 110 9.038 -11.433 -11.918 814 1HB ASP 110 1HB ASP 110 7.650 -13.681 -12.130 815 2HB ASP 110 2HB ASP 110 8.457 -14.074 -10.612 816 H GLY 111 H GLY 111 6.960 -12.053 -9.101 817 1HA GLY 111 1HA GLY 111 4.575 -11.128 -10.594 818 2HA GLY 111 2HA GLY 111 5.132 -10.101 -9.278 819 H PHE 112 H PHE 112 5.362 -13.633 -9.156 820 HA PHE 112 HA PHE 112 3.319 -13.576 -6.969 821 1HB PHE 112 1HB PHE 112 2.307 -15.570 -7.738 822 2HB PHE 112 2HB PHE 112 3.660 -15.951 -8.797 823 HD1 PHE 112 HD1 PHE 112 3.397 -15.524 -11.081 824 HD2 PHE 112 HD2 PHE 112 1.162 -13.196 -8.246 825 HE1 PHE 112 HE1 PHE 112 2.264 -14.341 -12.942 826 HE2 PHE 112 HE2 PHE 112 0.029 -12.015 -10.107 827 HZ PHE 112 HZ PHE 112 0.581 -12.586 -12.455 828 H ILE 113 H ILE 113 3.634 -15.188 -5.315 829 HA ILE 113 HA ILE 113 6.479 -15.830 -4.860 830 HB ILE 113 HB ILE 113 3.976 -16.116 -3.171 831 1HG1 ILE 113 1HG1 ILE 113 6.450 -14.374 -3.094 832 2HG1 ILE 113 2HG1 ILE 113 5.432 -14.600 -1.674 833 1HG2 ILE 113 1HG2 ILE 113 5.633 -16.794 -1.345 834 2HG2 ILE 113 2HG2 ILE 113 6.790 -17.099 -2.640 835 3HG2 ILE 113 3HG2 ILE 113 5.289 -18.021 -2.563 836 1HD1 ILE 113 1HD1 ILE 113 4.814 -13.198 -4.242 837 2HD1 ILE 113 2HD1 ILE 113 4.429 -12.726 -2.587 838 3HD1 ILE 113 3HD1 ILE 113 3.494 -13.991 -3.383 839 H ASP 114 H ASP 114 7.305 -17.959 -4.796 840 HA ASP 114 HA ASP 114 5.571 -19.997 -6.101 841 1HB ASP 114 1HB ASP 114 7.535 -21.071 -6.824 842 2HB ASP 114 2HB ASP 114 8.509 -20.350 -5.547 843 H ILE 115 H ILE 115 5.396 -22.124 -5.249 844 HA ILE 115 HA ILE 115 5.094 -22.300 -2.408 845 HB ILE 115 HB ILE 115 3.838 -23.703 -4.028 846 1HG1 ILE 115 1HG1 ILE 115 3.842 -24.507 -1.797 847 2HG1 ILE 115 2HG1 ILE 115 5.511 -25.061 -1.909 848 1HG2 ILE 115 1HG2 ILE 115 5.898 -24.091 -5.503 849 2HG2 ILE 115 2HG2 ILE 115 4.849 -25.483 -5.242 850 3HG2 ILE 115 3HG2 ILE 115 6.360 -25.339 -4.345 851 1HD1 ILE 115 1HD1 ILE 115 4.922 -26.871 -3.332 852 2HD1 ILE 115 2HD1 ILE 115 3.328 -26.193 -3.667 853 3HD1 ILE 115 3HD1 ILE 115 3.685 -26.862 -2.075 854 H GLU 116 H GLU 116 7.621 -23.445 -4.616 855 HA GLU 116 HA GLU 116 9.226 -24.792 -2.659 856 1HB GLU 116 1HB GLU 116 9.545 -25.091 -5.096 857 2HB GLU 116 2HB GLU 116 11.049 -24.610 -4.311 858 1HG GLU 116 1HG GLU 116 10.905 -22.396 -5.142 859 2HG GLU 116 2HG GLU 116 9.193 -22.559 -5.530 860 H GLU 117 H GLU 117 9.082 -21.413 -3.716 861 HA GLU 117 HA GLU 117 11.404 -20.493 -2.299 862 1HB GLU 117 1HB GLU 117 9.623 -18.347 -2.375 863 2HB GLU 117 2HB GLU 117 9.163 -19.320 -3.771 864 1HG GLU 117 1HG GLU 117 10.893 -17.698 -4.404 865 2HG GLU 117 2HG GLU 117 11.532 -19.338 -4.517 866 H LEU 118 H LEU 118 7.951 -20.678 -1.417 867 HA LEU 118 HA LEU 118 8.246 -19.423 1.160 868 1HB LEU 118 1HB LEU 118 6.111 -21.446 0.491 869 2HB LEU 118 2HB LEU 118 6.098 -19.834 -0.223 870 HG LEU 118 HG LEU 118 6.475 -20.030 2.736 871 1HD1 LEU 118 1HD1 LEU 118 4.769 -18.193 1.031 872 2HD1 LEU 118 2HD1 LEU 118 6.467 -17.883 1.390 873 3HD1 LEU 118 3HD1 LEU 118 5.285 -17.932 2.696 874 1HD2 LEU 118 1HD2 LEU 118 4.631 -21.629 2.235 875 2HD2 LEU 118 2HD2 LEU 118 3.783 -20.351 1.365 876 3HD2 LEU 118 3HD2 LEU 118 4.054 -20.206 3.101 877 H GLY 119 H GLY 119 8.711 -22.738 0.056 878 1HA GLY 119 1HA GLY 119 9.539 -24.615 1.184 879 2HA GLY 119 2HA GLY 119 8.487 -24.131 2.509 880 H GLU 120 H GLU 120 11.494 -22.801 1.042 881 HA GLU 120 HA GLU 120 13.074 -23.293 3.410 882 1HB GLU 120 1HB GLU 120 14.611 -21.528 2.295 883 2HB GLU 120 2HB GLU 120 13.474 -21.603 0.947 884 1HG GLU 120 1HG GLU 120 13.848 -24.248 1.357 885 2HG GLU 120 2HG GLU 120 15.407 -23.649 1.925 886 H ILE 121 H ILE 121 11.171 -20.517 2.274 887 HA ILE 121 HA ILE 121 12.151 -18.584 4.128 888 HB ILE 121 HB ILE 121 9.449 -18.897 2.786 889 1HG1 ILE 121 1HG1 ILE 121 11.618 -18.354 1.489 890 2HG1 ILE 121 2HG1 ILE 121 11.581 -16.800 2.321 891 1HG2 ILE 121 1HG2 ILE 121 8.923 -17.605 4.700 892 2HG2 ILE 121 2HG2 ILE 121 9.251 -16.400 3.453 893 3HG2 ILE 121 3HG2 ILE 121 10.475 -16.768 4.668 894 1HD1 ILE 121 1HD1 ILE 121 10.266 -17.380 -0.045 895 2HD1 ILE 121 2HD1 ILE 121 9.884 -16.034 1.027 896 3HD1 ILE 121 3HD1 ILE 121 8.989 -17.548 1.159 897 H LEU 122 H LEU 122 9.613 -21.071 4.449 898 HA LEU 122 HA LEU 122 8.733 -20.217 7.072 899 1HB LEU 122 1HB LEU 122 7.925 -22.719 7.118 900 2HB LEU 122 2HB LEU 122 8.409 -22.712 5.423 901 HG LEU 122 HG LEU 122 7.008 -20.389 5.521 902 1HD1 LEU 122 1HD1 LEU 122 6.162 -21.657 3.849 903 2HD1 LEU 122 2HD1 LEU 122 5.016 -22.264 5.043 904 3HD1 LEU 122 3HD1 LEU 122 6.499 -23.157 4.711 905 1HD2 LEU 122 1HD2 LEU 122 6.319 -20.585 7.824 906 2HD2 LEU 122 2HD2 LEU 122 5.812 -22.257 7.588 907 3HD2 LEU 122 3HD2 LEU 122 4.906 -20.947 6.832 908 NH1 ARG 123 NH1 ARG 123 15.017 -28.012 6.547 909 NH2 ARG 123 NH2 ARG 123 14.281 -27.309 8.573 910 H ARG 123 H ARG 123 10.911 -22.858 5.999 911 HA ARG 123 HA ARG 123 11.633 -23.649 8.682 912 1HB ARG 123 1HB ARG 123 13.587 -24.772 7.436 913 2HB ARG 123 2HB ARG 123 12.838 -24.159 5.961 914 1HG ARG 123 1HG ARG 123 10.709 -25.297 6.639 915 2HG ARG 123 2HG ARG 123 11.564 -25.997 8.013 916 1HD ARG 123 1HD ARG 123 12.933 -26.363 5.426 917 2HD ARG 123 2HD ARG 123 11.368 -27.168 5.533 918 HE ARG 123 HE ARG 123 12.268 -28.616 7.188 919 1HH1 ARG 123 1HH1 ARG 123 15.963 -27.926 6.859 920 2HH1 ARG 123 2HH1 ARG 123 14.825 -28.322 5.616 921 1HH2 ARG 123 1HH2 ARG 123 13.526 -27.083 9.190 922 2HH2 ARG 123 2HH2 ARG 123 15.226 -27.222 8.889 923 H ALA 124 H ALA 124 12.842 -21.164 6.511 924 HA ALA 124 HA ALA 124 15.442 -20.773 7.566 925 1HB ALA 124 1HB ALA 124 15.082 -18.357 6.815 926 2HB ALA 124 2HB ALA 124 13.452 -18.847 6.355 927 3HB ALA 124 3HB ALA 124 14.849 -19.596 5.582 928 H THR 125 H THR 125 12.351 -20.084 9.037 929 HA THR 125 HA THR 125 13.141 -17.990 10.824 930 HB THR 125 HB THR 125 11.200 -18.689 12.187 931 HG1 THR 125 HG1 THR 125 10.473 -20.647 12.060 932 1HG2 THR 125 1HG2 THR 125 11.039 -17.515 9.846 933 2HG2 THR 125 2HG2 THR 125 9.572 -18.113 10.621 934 3HG2 THR 125 3HG2 THR 125 10.334 -19.049 9.336 935 H GLY 126 H GLY 126 13.682 -21.465 10.899 936 1HA GLY 126 1HA GLY 126 15.154 -21.105 13.477 937 2HA GLY 126 2HA GLY 126 15.593 -22.284 12.239 938 H GLU 127 H GLU 127 12.220 -21.759 13.000 939 HA GLU 127 HA GLU 127 11.913 -23.726 15.065 940 1HB GLU 127 1HB GLU 127 9.478 -23.752 14.009 941 2HB GLU 127 2HB GLU 127 10.083 -22.356 13.121 942 1HG GLU 127 1HG GLU 127 10.942 -21.713 15.604 943 2HG GLU 127 2HG GLU 127 9.515 -22.659 16.026 944 H HIS 128 H HIS 128 10.989 -25.894 14.838 945 HA HIS 128 HA HIS 128 11.974 -27.228 12.378 946 1HB HIS 128 1HB HIS 128 12.767 -28.352 14.315 947 2HB HIS 128 2HB HIS 128 11.455 -29.358 13.715 948 HD1 HIS 128 HD1 HIS 128 12.382 -27.074 16.544 949 HD2 HIS 128 HD2 HIS 128 9.132 -29.416 15.385 950 HE1 HIS 128 HE1 HIS 128 10.844 -27.211 18.551 951 H VAL 129 H VAL 129 10.208 -26.364 11.066 952 HA VAL 129 HA VAL 129 7.477 -27.263 11.663 953 HB VAL 129 HB VAL 129 7.989 -25.076 10.535 954 1HG1 VAL 129 1HG1 VAL 129 8.865 -24.938 8.396 955 2HG1 VAL 129 2HG1 VAL 129 8.320 -26.557 7.957 956 3HG1 VAL 129 3HG1 VAL 129 9.732 -26.352 8.993 957 1HG2 VAL 129 1HG2 VAL 129 6.031 -25.120 9.251 958 2HG2 VAL 129 2HG2 VAL 129 5.798 -26.466 10.363 959 3HG2 VAL 129 3HG2 VAL 129 6.314 -26.773 8.704 960 H ILE 130 H ILE 130 6.257 -28.546 10.100 961 HA ILE 130 HA ILE 130 7.947 -30.713 8.921 962 HB ILE 130 HB ILE 130 5.415 -31.741 8.869 963 1HG1 ILE 130 1HG1 ILE 130 4.671 -29.628 10.139 964 2HG1 ILE 130 2HG1 ILE 130 5.554 -30.283 11.516 965 1HG2 ILE 130 1HG2 ILE 130 7.365 -32.903 9.730 966 2HG2 ILE 130 2HG2 ILE 130 6.092 -32.958 10.950 967 3HG2 ILE 130 3HG2 ILE 130 7.435 -31.828 11.127 968 1HD1 ILE 130 1HD1 ILE 130 4.183 -32.288 11.507 969 2HD1 ILE 130 2HD1 ILE 130 3.390 -31.786 10.014 970 3HD1 ILE 130 3HD1 ILE 130 3.113 -30.886 11.505 971 H GLU 131 H GLU 131 7.687 -31.277 6.750 972 HA GLU 131 HA GLU 131 6.638 -29.309 4.948 973 1HB GLU 131 1HB GLU 131 8.437 -30.898 4.321 974 2HB GLU 131 2HB GLU 131 7.087 -30.973 3.198 975 1HG GLU 131 1HG GLU 131 6.277 -33.010 4.155 976 2HG GLU 131 2HG GLU 131 7.333 -32.850 5.559 977 H GLU 132 H GLU 132 5.195 -32.060 6.555 978 HA GLU 132 HA GLU 132 2.915 -32.391 4.828 979 1HB GLU 132 1HB GLU 132 1.884 -33.308 7.041 980 2HB GLU 132 2HB GLU 132 3.494 -33.059 7.717 981 1HG GLU 132 1HG GLU 132 3.368 -34.470 5.099 982 2HG GLU 132 2HG GLU 132 2.750 -35.357 6.491 983 H ASP 133 H ASP 133 3.688 -30.232 7.519 984 HA ASP 133 HA ASP 133 0.976 -29.084 7.572 985 1HB ASP 133 1HB ASP 133 3.301 -27.822 8.976 986 2HB ASP 133 2HB ASP 133 2.712 -29.381 9.552 987 H ILE 134 H ILE 134 4.107 -28.373 6.132 988 HA ILE 134 HA ILE 134 3.508 -25.591 5.514 989 HB ILE 134 HB ILE 134 5.570 -27.493 4.350 990 1HG1 ILE 134 1HG1 ILE 134 7.145 -26.381 5.832 991 2HG1 ILE 134 2HG1 ILE 134 5.792 -26.962 6.798 992 1HG2 ILE 134 1HG2 ILE 134 5.008 -24.569 3.913 993 2HG2 ILE 134 2HG2 ILE 134 5.383 -25.816 2.724 994 3HG2 ILE 134 3HG2 ILE 134 6.655 -25.185 3.771 995 1HD1 ILE 134 1HD1 ILE 134 6.778 -24.303 6.601 996 2HD1 ILE 134 2HD1 ILE 134 5.380 -24.869 7.514 997 3HD1 ILE 134 3HD1 ILE 134 5.182 -24.318 5.852 998 H GLU 135 H GLU 135 3.471 -28.644 3.655 999 HA GLU 135 HA GLU 135 2.692 -27.568 1.146 1000 1HB GLU 135 1HB GLU 135 1.728 -30.256 2.109 1001 2HB GLU 135 2HB GLU 135 3.435 -29.979 1.767 1002 1HG GLU 135 1HG GLU 135 2.622 -30.760 -0.295 1003 2HG GLU 135 2HG GLU 135 2.571 -29.011 -0.504 1004 H ASP 136 H ASP 136 0.502 -29.219 3.486 1005 HA ASP 136 HA ASP 136 -1.898 -28.589 2.163 1006 1HB ASP 136 1HB ASP 136 -1.470 -30.128 4.217 1007 2HB ASP 136 2HB ASP 136 -3.023 -29.315 4.070 1008 H LEU 137 H LEU 137 -0.082 -26.608 4.474 1009 HA LEU 137 HA LEU 137 -2.016 -24.597 4.964 1010 1HB LEU 137 1HB LEU 137 0.952 -24.101 4.642 1011 2HB LEU 137 2HB LEU 137 0.264 -24.888 6.060 1012 HG LEU 137 HG LEU 137 -0.992 -22.325 5.212 1013 1HD1 LEU 137 1HD1 LEU 137 -1.745 -23.639 7.187 1014 2HD1 LEU 137 2HD1 LEU 137 -1.154 -22.042 7.646 1015 3HD1 LEU 137 3HD1 LEU 137 -0.140 -23.463 7.895 1016 1HD2 LEU 137 1HD2 LEU 137 0.806 -21.096 6.526 1017 2HD2 LEU 137 2HD2 LEU 137 1.318 -21.701 4.951 1018 3HD2 LEU 137 3HD2 LEU 137 1.777 -22.564 6.418 1019 H MET 138 H MET 138 0.394 -24.817 2.322 1020 HA MET 138 HA MET 138 -0.363 -22.314 1.104 1021 1HB MET 138 1HB MET 138 0.950 -24.707 -0.219 1022 2HB MET 138 2HB MET 138 1.817 -23.486 0.712 1023 1HG MET 138 1HG MET 138 0.250 -22.013 -1.080 1024 2HG MET 138 2HG MET 138 0.847 -23.369 -2.034 1025 1HE MET 138 1HE MET 138 2.536 -22.372 -3.610 1026 2HE MET 138 2HE MET 138 3.382 -20.874 -3.237 1027 3HE MET 138 3HE MET 138 1.624 -20.931 -3.143 1028 H LYS 139 H LYS 139 -1.200 -25.713 0.263 1029 HA LYS 139 HA LYS 139 -2.953 -24.992 -1.900 1030 1HB LYS 139 1HB LYS 139 -2.055 -27.264 -1.695 1031 2HB LYS 139 2HB LYS 139 -3.817 -27.308 -1.712 1032 1HG LYS 139 1HG LYS 139 -3.665 -27.263 0.860 1033 2HG LYS 139 2HG LYS 139 -1.957 -27.643 0.643 1034 1HD LYS 139 1HD LYS 139 -2.391 -29.787 -0.008 1035 2HD LYS 139 2HD LYS 139 -3.823 -29.320 -0.929 1036 1HE LYS 139 1HE LYS 139 -5.224 -29.585 0.868 1037 2HE LYS 139 2HE LYS 139 -4.012 -29.038 2.025 1038 1HZ LYS 139 1HZ LYS 139 -4.487 -31.394 2.279 1039 2HZ LYS 139 2HZ LYS 139 -2.876 -31.152 1.796 1040 3HZ LYS 139 3HZ LYS 139 -4.033 -31.682 0.671 1041 H ASP 140 H ASP 140 -3.439 -25.054 1.567 1042 HA ASP 140 HA ASP 140 -6.346 -25.133 1.459 1043 1HB ASP 140 1HB ASP 140 -4.822 -23.929 3.756 1044 2HB ASP 140 2HB ASP 140 -4.723 -25.665 3.465 1045 H SER 141 H SER 141 -3.872 -22.600 1.476 1046 HA SER 141 HA SER 141 -5.816 -20.437 1.794 1047 1HB SER 141 1HB SER 141 -3.833 -18.985 1.230 1048 2HB SER 141 2HB SER 141 -2.883 -20.453 1.028 1049 HG SER 141 HG SER 141 -2.889 -19.395 3.180 1050 H ASP 142 H ASP 142 -4.284 -22.148 -0.892 1051 HA ASP 142 HA ASP 142 -5.112 -20.171 -2.885 1052 1HB ASP 142 1HB ASP 142 -4.591 -22.827 -3.956 1053 2HB ASP 142 2HB ASP 142 -3.322 -22.332 -2.838 1054 H LYS 143 H LYS 143 -7.282 -19.922 -3.202 1055 HA LYS 143 HA LYS 143 -9.225 -22.005 -2.730 1056 1HB LYS 143 1HB LYS 143 -10.848 -20.419 -3.401 1057 2HB LYS 143 2HB LYS 143 -9.716 -19.577 -4.458 1058 1HG LYS 143 1HG LYS 143 -10.005 -18.228 -2.478 1059 2HG LYS 143 2HG LYS 143 -8.406 -18.929 -2.395 1060 1HD LYS 143 1HD LYS 143 -9.031 -20.481 -0.745 1061 2HD LYS 143 2HD LYS 143 -10.750 -20.315 -1.109 1062 1HE LYS 143 1HE LYS 143 -10.891 -18.217 -0.032 1063 2HE LYS 143 2HE LYS 143 -9.146 -17.972 -0.086 1064 1HZ LYS 143 1HZ LYS 143 -9.988 -18.601 2.132 1065 2HZ LYS 143 2HZ LYS 143 -8.837 -19.693 1.524 1066 3HZ LYS 143 3HZ LYS 143 -10.489 -20.094 1.500 1067 H ASN 144 H ASN 144 -7.637 -20.744 -5.652 1068 HA ASN 144 HA ASN 144 -9.120 -22.674 -7.344 1069 1HB ASN 144 1HB ASN 144 -7.475 -21.523 -9.097 1070 2HB ASN 144 2HB ASN 144 -7.385 -20.288 -7.842 1071 1HD2 ASN 144 1HD2 ASN 144 -9.263 -21.406 -10.478 1072 2HD2 ASN 144 2HD2 ASN 144 -10.660 -20.496 -10.168 1073 H ASN 145 H ASN 145 -6.023 -22.277 -5.797 1074 HA ASN 145 HA ASN 145 -4.175 -23.676 -5.646 1075 1HB ASN 145 1HB ASN 145 -4.514 -26.086 -6.243 1076 2HB ASN 145 2HB ASN 145 -6.104 -25.668 -6.876 1077 1HD2 ASN 145 1HD2 ASN 145 -4.162 -25.731 -3.867 1078 2HD2 ASN 145 2HD2 ASN 145 -5.496 -25.714 -2.817 1079 H ASP 146 H ASP 146 -3.158 -22.250 -7.256 1080 HA ASP 146 HA ASP 146 -3.004 -23.419 -9.998 1081 1HB ASP 146 1HB ASP 146 -1.879 -20.754 -9.110 1082 2HB ASP 146 2HB ASP 146 -3.560 -20.936 -9.613 1083 H GLY 147 H GLY 147 -1.096 -22.569 -7.151 1084 1HA GLY 147 1HA GLY 147 1.342 -23.671 -8.470 1085 2HA GLY 147 2HA GLY 147 0.835 -24.272 -6.890 1086 NH1 ARG 148 NH1 ARG 148 2.703 -23.404 -10.572 1087 NH2 ARG 148 NH2 ARG 148 4.893 -23.828 -10.151 1088 H ARG 148 H ARG 148 0.803 -20.934 -8.166 1089 HA ARG 148 HA ARG 148 2.825 -20.190 -6.103 1090 1HB ARG 148 1HB ARG 148 2.975 -18.073 -7.543 1091 2HB ARG 148 2HB ARG 148 2.014 -18.945 -8.734 1092 1HG ARG 148 1HG ARG 148 4.421 -20.301 -7.590 1093 2HG ARG 148 2HG ARG 148 4.668 -19.030 -8.781 1094 1HD ARG 148 1HD ARG 148 4.233 -20.541 -10.392 1095 2HD ARG 148 2HD ARG 148 2.575 -20.614 -9.800 1096 HE ARG 148 HE ARG 148 4.005 -22.324 -8.122 1097 1HH1 ARG 148 1HH1 ARG 148 4.876 -24.581 -10.809 1098 2HH1 ARG 148 2HH1 ARG 148 5.739 -23.613 -9.662 1099 1HH2 ARG 148 1HH2 ARG 148 1.878 -22.865 -10.404 1100 2HH2 ARG 148 2HH2 ARG 148 2.683 -24.157 -11.231 1101 H ILE 149 H ILE 149 2.505 -17.881 -5.292 1102 HA ILE 149 HA ILE 149 -0.393 -17.440 -4.656 1103 HB ILE 149 HB ILE 149 2.085 -16.639 -3.088 1104 1HG1 ILE 149 1HG1 ILE 149 1.215 -19.122 -3.195 1105 2HG1 ILE 149 2HG1 ILE 149 -0.068 -18.521 -2.145 1106 1HG2 ILE 149 1HG2 ILE 149 -0.871 -16.302 -2.466 1107 2HG2 ILE 149 2HG2 ILE 149 0.266 -15.003 -2.825 1108 3HG2 ILE 149 3HG2 ILE 149 0.446 -15.949 -1.349 1109 1HD1 ILE 149 1HD1 ILE 149 1.771 -17.564 -0.660 1110 2HD1 ILE 149 2HD1 ILE 149 2.916 -18.493 -1.628 1111 3HD1 ILE 149 3HD1 ILE 149 1.669 -19.324 -0.699 1112 H ASP 150 H ASP 150 -1.273 -15.533 -5.372 1113 HA ASP 150 HA ASP 150 0.605 -13.522 -6.540 1114 1HB ASP 150 1HB ASP 150 -0.804 -14.109 -8.297 1115 2HB ASP 150 2HB ASP 150 -1.639 -12.707 -7.641 1116 H PHE 151 H PHE 151 -0.368 -11.215 -6.492 1117 HA PHE 151 HA PHE 151 -0.641 -10.415 -3.749 1118 1HB PHE 151 1HB PHE 151 -1.482 -8.700 -6.089 1119 2HB PHE 151 2HB PHE 151 0.217 -9.013 -5.740 1120 HD1 PHE 151 HD1 PHE 151 0.942 -8.639 -3.222 1121 HD2 PHE 151 HD2 PHE 151 -2.544 -6.898 -5.034 1122 HE1 PHE 151 HE1 PHE 151 0.895 -6.898 -1.460 1123 HE2 PHE 151 HE2 PHE 151 -2.586 -5.154 -3.270 1124 HZ PHE 151 HZ PHE 151 -0.867 -5.154 -1.484 1125 H ASP 152 H ASP 152 -3.005 -11.216 -6.232 1126 HA ASP 152 HA ASP 152 -5.305 -9.969 -5.102 1127 1HB ASP 152 1HB ASP 152 -6.580 -11.818 -6.268 1128 2HB ASP 152 2HB ASP 152 -5.028 -12.542 -6.685 1129 H GLU 153 H GLU 153 -4.238 -13.379 -4.724 1130 HA GLU 153 HA GLU 153 -6.052 -13.921 -2.543 1131 1HB GLU 153 1HB GLU 153 -4.348 -15.875 -2.178 1132 2HB GLU 153 2HB GLU 153 -3.630 -15.302 -3.684 1133 1HG GLU 153 1HG GLU 153 -5.225 -16.983 -4.297 1134 2HG GLU 153 2HG GLU 153 -5.963 -15.433 -4.701 1135 H PHE 154 H PHE 154 -2.793 -12.617 -2.749 1136 HA PHE 154 HA PHE 154 -1.941 -12.957 -0.059 1137 1HB PHE 154 1HB PHE 154 -1.347 -10.682 -1.977 1138 2HB PHE 154 2HB PHE 154 -0.473 -12.208 -1.907 1139 HD1 PHE 154 HD1 PHE 154 0.497 -12.854 0.472 1140 HD2 PHE 154 HD2 PHE 154 -0.582 -8.877 -0.734 1141 HE1 PHE 154 HE1 PHE 154 1.969 -11.917 2.235 1142 HE2 PHE 154 HE2 PHE 154 0.885 -7.944 1.027 1143 HZ PHE 154 HZ PHE 154 2.162 -9.462 2.514 1144 H LEU 155 H LEU 155 -4.112 -10.563 -1.523 1145 HA LEU 155 HA LEU 155 -4.174 -8.665 0.604 1146 1HB LEU 155 1HB LEU 155 -6.412 -8.042 -0.282 1147 2HB LEU 155 2HB LEU 155 -6.401 -9.487 -1.292 1148 HG LEU 155 HG LEU 155 -4.092 -8.537 -2.115 1149 1HD1 LEU 155 1HD1 LEU 155 -5.209 -7.503 -3.968 1150 2HD1 LEU 155 2HD1 LEU 155 -6.619 -7.112 -2.982 1151 3HD1 LEU 155 3HD1 LEU 155 -6.274 -8.790 -3.405 1152 1HD2 LEU 155 1HD2 LEU 155 -4.219 -5.996 -2.167 1153 2HD2 LEU 155 2HD2 LEU 155 -3.866 -6.693 -0.586 1154 3HD2 LEU 155 3HD2 LEU 155 -5.492 -6.114 -0.951 1155 H LYS 156 H LYS 156 -6.445 -11.366 -0.041 1156 HA LYS 156 HA LYS 156 -7.734 -11.138 2.545 1157 1HB LYS 156 1HB LYS 156 -8.526 -13.534 1.921 1158 2HB LYS 156 2HB LYS 156 -7.722 -13.239 0.379 1159 1HG LYS 156 1HG LYS 156 -9.169 -11.462 -0.170 1160 2HG LYS 156 2HG LYS 156 -9.665 -11.226 1.506 1161 1HD LYS 156 1HD LYS 156 -11.517 -12.324 0.553 1162 2HD LYS 156 2HD LYS 156 -10.628 -13.640 1.317 1163 1HE LYS 156 1HE LYS 156 -9.423 -13.719 -1.065 1164 2HE LYS 156 2HE LYS 156 -10.939 -12.985 -1.586 1165 1HZ LYS 156 1HZ LYS 156 -12.141 -14.804 -0.552 1166 2HZ LYS 156 2HZ LYS 156 -10.682 -15.509 -0.039 1167 3HZ LYS 156 3HZ LYS 156 -11.039 -15.396 -1.696 1168 H MET 157 H MET 157 -4.845 -12.735 1.412 1169 HA MET 157 HA MET 157 -4.567 -14.792 3.337 1170 1HB MET 157 1HB MET 157 -2.118 -13.314 2.522 1171 2HB MET 157 2HB MET 157 -3.102 -13.979 1.219 1172 1HG MET 157 1HG MET 157 -2.529 -16.109 1.729 1173 2HG MET 157 2HG MET 157 -2.736 -15.836 3.458 1174 1HE MET 157 1HE MET 157 -0.649 -15.498 5.139 1175 2HE MET 157 2HE MET 157 -1.259 -13.956 4.543 1176 3HE MET 157 3HE MET 157 0.477 -14.232 4.632 1177 H MET 158 H MET 158 -3.505 -11.366 3.500 1178 HA MET 158 HA MET 158 -3.080 -11.779 6.439 1179 1HB MET 158 1HB MET 158 -1.782 -9.565 4.863 1180 2HB MET 158 2HB MET 158 -1.067 -11.177 4.902 1181 1HG MET 158 1HG MET 158 -1.675 -10.679 7.568 1182 2HG MET 158 2HG MET 158 -1.123 -9.111 6.979 1183 1HE MET 158 1HE MET 158 2.393 -9.261 6.280 1184 2HE MET 158 2HE MET 158 0.828 -8.453 6.240 1185 3HE MET 158 3HE MET 158 1.294 -9.522 4.918 1186 H GLU 159 H GLU 159 -3.923 -9.235 4.048 1187 HA GLU 159 HA GLU 159 -5.041 -7.426 5.966 1188 1HB GLU 159 1HB GLU 159 -6.020 -7.554 3.126 1189 2HB GLU 159 2HB GLU 159 -4.365 -7.047 3.465 1190 1HG GLU 159 1HG GLU 159 -6.607 -5.809 5.031 1191 2HG GLU 159 2HG GLU 159 -6.328 -5.267 3.375 1192 H GLY 160 H GLY 160 -6.418 -10.217 4.301 1193 1HA GLY 160 1HA GLY 160 -8.600 -11.110 4.340 1194 2HA GLY 160 2HA GLY 160 -9.182 -9.548 4.917 1195 H VAL 161 H VAL 161 -8.968 -9.094 7.219 1196 HA VAL 161 HA VAL 161 -8.691 -11.559 8.894 1197 HB VAL 161 HB VAL 161 -6.956 -9.765 9.260 1198 1HG1 VAL 161 1HG1 VAL 161 -8.950 -7.978 8.973 1199 2HG1 VAL 161 2HG1 VAL 161 -7.487 -7.624 9.891 1200 3HG1 VAL 161 3HG1 VAL 161 -8.956 -8.122 10.731 1201 1HG2 VAL 161 1HG2 VAL 161 -6.865 -10.229 11.516 1202 2HG2 VAL 161 2HG2 VAL 161 -8.100 -11.400 11.054 1203 3HG2 VAL 161 3HG2 VAL 161 -8.570 -9.859 11.770 1204 H GLN 162 H GLN 162 -11.145 -10.785 7.579 1205 HA GLN 162 HA GLN 162 -12.811 -9.798 9.852 1206 1HB GLN 162 1HB GLN 162 -14.590 -9.703 7.953 1207 2HB GLN 162 2HB GLN 162 -13.211 -9.861 6.864 1208 1HG GLN 162 1HG GLN 162 -12.200 -7.915 8.309 1209 2HG GLN 162 2HG GLN 162 -13.879 -7.630 8.770 1210 1HE2 GLN 162 1HE2 GLN 162 -11.541 -6.938 6.376 1211 2HE2 GLN 162 2HE2 GLN 162 -12.596 -6.372 5.173 Start of MODEL 3 Raw file had 1211 H/Q atoms Start of MODEL 3 1 1H ALA 1 1H ALA 1 -22.270 -1.800 14.281 2 2H ALA 1 2H ALA 1 -21.393 -2.944 13.382 3 3H ALA 1 3H ALA 1 -23.088 -3.030 13.446 4 HA ALA 1 HA ALA 1 -22.320 -2.121 11.327 5 1HB ALA 1 1HB ALA 1 -23.784 -0.170 11.327 6 2HB ALA 1 2HB ALA 1 -23.688 -0.060 13.085 7 3HB ALA 1 3HB ALA 1 -24.504 -1.429 12.330 8 H SER 2 H SER 2 -20.824 -0.854 10.280 9 HA SER 2 HA SER 2 -18.927 0.678 11.967 10 1HB SER 2 1HB SER 2 -17.654 0.835 9.750 11 2HB SER 2 2HB SER 2 -18.857 -0.273 9.098 12 HG SER 2 HG SER 2 -17.937 -1.847 10.105 13 H MET 3 H MET 3 -19.759 2.691 12.384 14 HA MET 3 HA MET 3 -21.317 4.201 10.443 15 1HB MET 3 1HB MET 3 -21.066 6.066 12.096 16 2HB MET 3 2HB MET 3 -19.985 5.041 13.037 17 1HG MET 3 1HG MET 3 -22.029 3.332 12.833 18 2HG MET 3 2HG MET 3 -22.942 4.828 12.636 19 1HE MET 3 1HE MET 3 -20.988 2.551 15.355 20 2HE MET 3 2HE MET 3 -20.059 3.880 16.045 21 3HE MET 3 3HE MET 3 -19.917 3.514 14.328 22 H THR 4 H THR 4 -17.920 4.081 11.411 23 HA THR 4 HA THR 4 -17.261 6.397 9.690 24 HB THR 4 HB THR 4 -14.885 5.837 10.506 25 HG1 THR 4 HG1 THR 4 -14.943 3.869 11.322 26 1HG2 THR 4 1HG2 THR 4 -16.025 7.684 11.490 27 2HG2 THR 4 2HG2 THR 4 -15.440 6.713 12.840 28 3HG2 THR 4 3HG2 THR 4 -17.135 6.627 12.362 29 H ASP 5 H ASP 5 -18.159 4.955 7.836 30 HA ASP 5 HA ASP 5 -16.259 2.899 6.891 31 1HB ASP 5 1HB ASP 5 -18.589 4.008 5.316 32 2HB ASP 5 2HB ASP 5 -18.841 2.834 6.608 33 H GLN 6 H GLN 6 -17.598 5.977 5.639 34 HA GLN 6 HA GLN 6 -15.596 6.245 3.562 35 1HB GLN 6 1HB GLN 6 -16.496 8.504 3.268 36 2HB GLN 6 2HB GLN 6 -17.333 8.400 4.817 37 1HG GLN 6 1HG GLN 6 -17.948 6.167 3.000 38 2HG GLN 6 2HG GLN 6 -18.432 7.742 2.367 39 1HE2 GLN 6 1HE2 GLN 6 -19.582 9.173 4.207 40 2HE2 GLN 6 2HE2 GLN 6 -20.718 8.340 5.154 41 H GLN 7 H GLN 7 -15.897 7.366 6.901 42 HA GLN 7 HA GLN 7 -13.625 9.152 6.820 43 1HB GLN 7 1HB GLN 7 -13.798 9.069 9.305 44 2HB GLN 7 2HB GLN 7 -15.001 7.787 9.152 45 1HG GLN 7 1HG GLN 7 -16.023 9.678 7.457 46 2HG GLN 7 2HG GLN 7 -15.267 10.697 8.680 47 1HE2 GLN 7 1HE2 GLN 7 -17.773 8.224 8.158 48 2HE2 GLN 7 2HE2 GLN 7 -18.550 8.454 9.649 49 H ALA 8 H ALA 8 -14.047 5.735 7.769 50 HA ALA 8 HA ALA 8 -11.357 5.378 8.737 51 1HB ALA 8 1HB ALA 8 -13.068 3.790 9.362 52 2HB ALA 8 2HB ALA 8 -11.843 2.934 8.427 53 3HB ALA 8 3HB ALA 8 -13.372 3.384 7.673 54 H GLU 9 H GLU 9 -12.472 5.833 5.531 55 HA GLU 9 HA GLU 9 -10.078 4.415 4.448 56 1HB GLU 9 1HB GLU 9 -12.074 3.645 3.336 57 2HB GLU 9 2HB GLU 9 -11.210 4.681 2.206 58 1HG GLU 9 1HG GLU 9 -12.706 6.534 2.673 59 2HG GLU 9 2HG GLU 9 -13.492 5.624 3.963 60 H ALA 10 H ALA 10 -11.807 7.526 4.430 61 HA ALA 10 HA ALA 10 -9.837 8.886 2.798 62 1HB ALA 10 1HB ALA 10 -12.237 9.658 3.280 63 2HB ALA 10 2HB ALA 10 -10.988 10.898 3.384 64 3HB ALA 10 3HB ALA 10 -11.642 10.180 4.856 65 NH1 ARG 11 NH1 ARG 11 -7.762 9.588 13.246 66 NH2 ARG 11 NH2 ARG 11 -8.757 7.616 12.732 67 H ARG 11 H ARG 11 -10.101 8.030 6.181 68 HA ARG 11 HA ARG 11 -8.168 9.916 7.216 69 1HB ARG 11 1HB ARG 11 -7.974 7.928 8.993 70 2HB ARG 11 2HB ARG 11 -9.448 7.392 8.190 71 1HG ARG 11 1HG ARG 11 -10.498 8.819 9.614 72 2HG ARG 11 2HG ARG 11 -9.928 10.082 8.523 73 1HD ARG 11 1HD ARG 11 -8.719 10.940 10.217 74 2HD ARG 11 2HD ARG 11 -7.759 9.461 10.243 75 HE ARG 11 HE ARG 11 -10.287 9.723 11.825 76 1HH1 ARG 11 1HH1 ARG 11 -7.203 9.128 13.936 77 2HH1 ARG 11 2HH1 ARG 11 -7.661 10.571 13.096 78 1HH2 ARG 11 1HH2 ARG 11 -9.416 7.093 12.191 79 2HH2 ARG 11 2HH2 ARG 11 -8.200 7.153 13.422 80 H ALA 12 H ALA 12 -7.934 6.501 6.169 81 HA ALA 12 HA ALA 12 -5.075 6.331 6.587 82 1HB ALA 12 1HB ALA 12 -5.227 4.227 5.358 83 2HB ALA 12 2HB ALA 12 -6.825 4.663 4.753 84 3HB ALA 12 3HB ALA 12 -6.589 4.346 6.471 85 H PHE 13 H PHE 13 -7.056 7.627 4.026 86 HA PHE 13 HA PHE 13 -5.167 7.402 1.870 87 1HB PHE 13 1HB PHE 13 -7.267 9.557 2.231 88 2HB PHE 13 2HB PHE 13 -7.628 7.934 1.641 89 HD1 PHE 13 HD1 PHE 13 -6.302 7.092 -0.414 90 HD2 PHE 13 HD2 PHE 13 -6.497 11.221 0.753 91 HE1 PHE 13 HE1 PHE 13 -5.602 7.770 -2.694 92 HE2 PHE 13 HE2 PHE 13 -5.799 11.898 -1.526 93 HZ PHE 13 HZ PHE 13 -5.351 10.175 -3.249 94 H LEU 14 H LEU 14 -5.680 9.902 4.365 95 HA LEU 14 HA LEU 14 -3.159 11.197 3.400 96 1HB LEU 14 1HB LEU 14 -4.523 12.997 3.064 97 2HB LEU 14 2HB LEU 14 -4.305 13.219 4.798 98 HG LEU 14 HG LEU 14 -6.554 11.494 3.756 99 1HD1 LEU 14 1HD1 LEU 14 -5.739 12.785 6.300 100 2HD1 LEU 14 2HD1 LEU 14 -6.604 11.274 6.034 101 3HD1 LEU 14 3HD1 LEU 14 -7.464 12.811 5.943 102 1HD2 LEU 14 1HD2 LEU 14 -8.012 13.428 3.677 103 2HD2 LEU 14 2HD2 LEU 14 -6.634 13.739 2.621 104 3HD2 LEU 14 3HD2 LEU 14 -6.709 14.486 4.217 105 H SER 15 H SER 15 -1.528 11.187 4.839 106 HA SER 15 HA SER 15 -1.966 10.129 7.537 107 1HB SER 15 1HB SER 15 0.521 10.455 7.743 108 2HB SER 15 2HB SER 15 0.517 11.146 6.123 109 HG SER 15 HG SER 15 0.734 9.146 5.534 110 H GLU 16 H GLU 16 -0.587 11.445 9.326 111 HA GLU 16 HA GLU 16 -2.023 13.853 9.849 112 1HB GLU 16 1HB GLU 16 -0.054 14.220 11.529 113 2HB GLU 16 2HB GLU 16 0.462 12.613 11.012 114 1HG GLU 16 1HG GLU 16 -2.094 12.027 11.450 115 2HG GLU 16 2HG GLU 16 -2.005 13.435 12.508 116 H GLU 17 H GLU 17 0.963 13.297 8.076 117 HA GLU 17 HA GLU 17 1.908 16.026 8.117 118 1HB GLU 17 1HB GLU 17 2.428 14.125 5.836 119 2HB GLU 17 2HB GLU 17 3.156 13.830 7.415 120 1HG GLU 17 1HG GLU 17 4.026 16.213 7.340 121 2HG GLU 17 2HG GLU 17 3.481 16.281 5.664 122 H MET 18 H MET 18 -0.079 14.124 5.849 123 HA MET 18 HA MET 18 -0.511 16.267 3.968 124 1HB MET 18 1HB MET 18 -2.742 14.473 4.011 125 2HB MET 18 2HB MET 18 -1.276 13.527 4.243 126 1HG MET 18 1HG MET 18 -0.282 14.547 2.239 127 2HG MET 18 2HG MET 18 -1.722 15.540 2.017 128 1HE MET 18 1HE MET 18 -0.925 13.227 -0.592 129 2HE MET 18 2HE MET 18 -1.438 14.855 -0.156 130 3HE MET 18 3HE MET 18 -2.606 13.723 -0.829 131 H ILE 19 H ILE 19 -2.465 14.927 6.625 132 HA ILE 19 HA ILE 19 -4.697 16.645 6.492 133 HB ILE 19 HB ILE 19 -3.333 15.459 8.931 134 1HG1 ILE 19 1HG1 ILE 19 -4.355 14.013 6.995 135 2HG1 ILE 19 2HG1 ILE 19 -5.904 14.533 7.659 136 1HG2 ILE 19 1HG2 ILE 19 -5.993 16.865 8.594 137 2HG2 ILE 19 2HG2 ILE 19 -4.710 17.237 9.744 138 3HG2 ILE 19 3HG2 ILE 19 -5.667 15.770 9.936 139 1HD1 ILE 19 1HD1 ILE 19 -5.586 12.643 8.941 140 2HD1 ILE 19 2HD1 ILE 19 -4.713 13.795 9.949 141 3HD1 ILE 19 3HD1 ILE 19 -3.828 12.744 8.844 142 H ALA 20 H ALA 20 -1.516 17.233 7.996 143 HA ALA 20 HA ALA 20 -2.156 19.692 9.298 144 1HB ALA 20 1HB ALA 20 0.262 20.131 9.253 145 2HB ALA 20 2HB ALA 20 0.483 18.857 8.054 146 3HB ALA 20 3HB ALA 20 -0.047 18.449 9.685 147 H GLU 21 H GLU 21 -0.915 19.057 6.002 148 HA GLU 21 HA GLU 21 -0.800 21.815 5.197 149 1HB GLU 21 1HB GLU 21 -1.363 19.516 3.316 150 2HB GLU 21 2HB GLU 21 0.231 19.739 4.036 151 1HG GLU 21 1HG GLU 21 0.603 21.750 2.909 152 2HG GLU 21 2HG GLU 21 -1.119 22.063 2.689 153 H PHE 22 H PHE 22 -3.370 19.363 5.086 154 HA PHE 22 HA PHE 22 -5.244 20.977 3.585 155 1HB PHE 22 1HB PHE 22 -6.928 19.362 4.305 156 2HB PHE 22 2HB PHE 22 -5.857 18.755 5.563 157 HD1 PHE 22 HD1 PHE 22 -5.583 16.491 4.871 158 HD2 PHE 22 HD2 PHE 22 -4.884 19.680 2.077 159 HE1 PHE 22 HE1 PHE 22 -4.615 14.876 3.264 160 HE2 PHE 22 HE2 PHE 22 -3.916 18.059 0.472 161 HZ PHE 22 HZ PHE 22 -3.782 15.657 1.066 162 H LYS 23 H LYS 23 -4.329 20.786 6.977 163 HA LYS 23 HA LYS 23 -6.623 22.130 8.073 164 1HB LYS 23 1HB LYS 23 -3.954 22.500 9.349 165 2HB LYS 23 2HB LYS 23 -4.550 20.847 9.193 166 1HG LYS 23 1HG LYS 23 -6.500 21.320 10.470 167 2HG LYS 23 2HG LYS 23 -6.275 23.061 10.315 168 1HD LYS 23 1HD LYS 23 -4.067 21.517 11.596 169 2HD LYS 23 2HD LYS 23 -5.553 21.714 12.527 170 1HE LYS 23 1HE LYS 23 -5.203 23.942 12.834 171 2HE LYS 23 2HE LYS 23 -4.623 24.174 11.185 172 1HZ LYS 23 1HZ LYS 23 -2.881 24.542 12.837 173 2HZ LYS 23 2HZ LYS 23 -2.503 23.242 11.811 174 3HZ LYS 23 3HZ LYS 23 -3.055 22.948 13.391 175 H ALA 24 H ALA 24 -3.850 23.304 6.291 176 HA ALA 24 HA ALA 24 -3.622 25.954 7.224 177 1HB ALA 24 1HB ALA 24 -2.816 26.509 4.948 178 2HB ALA 24 2HB ALA 24 -3.430 24.962 4.365 179 3HB ALA 24 3HB ALA 24 -2.111 25.003 5.533 180 H ALA 25 H ALA 25 -5.743 24.782 4.590 181 HA ALA 25 HA ALA 25 -7.131 27.314 4.334 182 1HB ALA 25 1HB ALA 25 -8.709 26.033 2.912 183 2HB ALA 25 2HB ALA 25 -7.924 24.535 3.414 184 3HB ALA 25 3HB ALA 25 -7.031 25.725 2.467 185 H PHE 26 H PHE 26 -7.501 24.562 6.437 186 HA PHE 26 HA PHE 26 -10.282 24.959 7.099 187 1HB PHE 26 1HB PHE 26 -8.303 23.703 8.986 188 2HB PHE 26 2HB PHE 26 -8.720 22.889 7.479 189 HD1 PHE 26 HD1 PHE 26 -11.468 23.170 7.011 190 HD2 PHE 26 HD2 PHE 26 -9.487 22.904 10.815 191 HE1 PHE 26 HE1 PHE 26 -13.563 22.337 8.044 192 HE2 PHE 26 HE2 PHE 26 -11.583 22.072 11.846 193 HZ PHE 26 HZ PHE 26 -13.622 21.790 10.464 194 H ASP 27 H ASP 27 -7.247 26.161 8.584 195 HA ASP 27 HA ASP 27 -8.577 27.274 10.887 196 1HB ASP 27 1HB ASP 27 -6.231 26.839 11.071 197 2HB ASP 27 2HB ASP 27 -6.456 28.577 11.213 198 H MET 28 H MET 28 -7.968 28.628 7.656 199 HA MET 28 HA MET 28 -8.473 31.362 8.404 200 1HB MET 28 1HB MET 28 -7.453 31.010 6.273 201 2HB MET 28 2HB MET 28 -9.048 31.677 5.961 202 1HG MET 28 1HG MET 28 -9.876 29.324 5.614 203 2HG MET 28 2HG MET 28 -8.201 28.784 5.720 204 1HE MET 28 1HE MET 28 -6.414 29.928 2.742 205 2HE MET 28 2HE MET 28 -6.417 29.309 4.391 206 3HE MET 28 3HE MET 28 -6.466 31.048 4.111 207 H PHE 29 H PHE 29 -10.610 28.765 7.243 208 HA PHE 29 HA PHE 29 -13.025 30.261 7.133 209 1HB PHE 29 1HB PHE 29 -13.967 27.860 7.822 210 2HB PHE 29 2HB PHE 29 -12.315 27.378 7.448 211 HD1 PHE 29 HD1 PHE 29 -11.341 27.998 5.179 212 HD2 PHE 29 HD2 PHE 29 -15.526 28.331 6.088 213 HE1 PHE 29 HE1 PHE 29 -11.862 28.052 2.757 214 HE2 PHE 29 HE2 PHE 29 -16.045 28.387 3.665 215 HZ PHE 29 HZ PHE 29 -14.215 28.245 1.999 216 H ASP 30 H ASP 30 -11.225 28.989 9.817 217 HA ASP 30 HA ASP 30 -13.397 29.267 11.770 218 1HB ASP 30 1HB ASP 30 -10.464 28.985 12.408 219 2HB ASP 30 2HB ASP 30 -11.398 27.610 11.829 220 H ALA 31 H ALA 31 -12.935 31.704 10.389 221 HA ALA 31 HA ALA 31 -11.217 33.484 11.885 222 1HB ALA 31 1HB ALA 31 -11.716 34.166 9.666 223 2HB ALA 31 2HB ALA 31 -12.633 35.269 10.690 224 3HB ALA 31 3HB ALA 31 -13.448 33.922 9.896 225 H ASP 32 H ASP 32 -14.686 32.692 12.009 226 HA ASP 32 HA ASP 32 -15.188 34.678 14.109 227 1HB ASP 32 1HB ASP 32 -17.021 32.452 13.183 228 2HB ASP 32 2HB ASP 32 -16.880 33.999 12.348 229 H GLY 33 H GLY 33 -15.223 31.077 13.947 230 1HA GLY 33 1HA GLY 33 -15.469 30.916 16.873 231 2HA GLY 33 2HA GLY 33 -13.877 30.471 16.260 232 H GLY 34 H GLY 34 -14.193 28.287 16.983 233 1HA GLY 34 1HA GLY 34 -16.376 26.706 15.750 234 2HA GLY 34 2HA GLY 34 -15.235 26.129 16.965 235 H GLY 35 H GLY 35 -13.711 24.760 16.190 236 1HA GLY 35 1HA GLY 35 -12.351 23.600 14.671 237 2HA GLY 35 2HA GLY 35 -12.082 25.174 13.925 238 H ASP 36 H ASP 36 -15.087 23.249 14.193 239 HA ASP 36 HA ASP 36 -15.077 22.396 11.435 240 1HB ASP 36 1HB ASP 36 -17.255 21.549 11.827 241 2HB ASP 36 2HB ASP 36 -17.579 22.725 13.090 242 H ILE 37 H ILE 37 -16.826 23.093 9.858 243 HA ILE 37 HA ILE 37 -17.021 26.076 9.892 244 HB ILE 37 HB ILE 37 -17.602 24.330 7.497 245 1HG1 ILE 37 1HG1 ILE 37 -15.199 24.710 6.827 246 2HG1 ILE 37 2HG1 ILE 37 -15.390 23.616 8.195 247 1HG2 ILE 37 1HG2 ILE 37 -16.705 27.189 7.926 248 2HG2 ILE 37 2HG2 ILE 37 -18.227 26.629 7.232 249 3HG2 ILE 37 3HG2 ILE 37 -16.720 26.411 6.343 250 1HD1 ILE 37 1HD1 ILE 37 -13.642 25.645 8.244 251 2HD1 ILE 37 2HD1 ILE 37 -14.491 25.121 9.696 252 3HD1 ILE 37 3HD1 ILE 37 -15.066 26.524 8.797 253 H SER 38 H SER 38 -19.087 27.030 9.168 254 HA SER 38 HA SER 38 -21.442 25.222 9.414 255 1HB SER 38 1HB SER 38 -22.532 27.009 10.856 256 2HB SER 38 2HB SER 38 -20.937 27.738 11.022 257 HG SER 38 HG SER 38 -20.299 26.155 12.264 258 H THR 39 H THR 39 -23.513 26.685 8.946 259 HA THR 39 HA THR 39 -23.284 27.645 6.259 260 HB THR 39 HB THR 39 -25.618 28.460 6.583 261 HG1 THR 39 HG1 THR 39 -26.117 28.999 8.534 262 1HG2 THR 39 1HG2 THR 39 -26.499 26.172 7.488 263 2HG2 THR 39 2HG2 THR 39 -24.799 25.717 7.503 264 3HG2 THR 39 3HG2 THR 39 -25.568 26.198 5.991 265 H LYS 40 H LYS 40 -23.617 29.420 9.349 266 HA LYS 40 HA LYS 40 -23.524 32.041 8.130 267 1HB LYS 40 1HB LYS 40 -23.457 32.911 10.327 268 2HB LYS 40 2HB LYS 40 -22.649 31.480 10.965 269 1HG LYS 40 1HG LYS 40 -24.616 30.197 10.912 270 2HG LYS 40 2HG LYS 40 -25.409 31.282 9.767 271 1HD LYS 40 1HD LYS 40 -25.595 33.011 11.478 272 2HD LYS 40 2HD LYS 40 -24.673 32.030 12.616 273 1HE LYS 40 1HE LYS 40 -27.158 30.882 11.380 274 2HE LYS 40 2HE LYS 40 -27.317 32.039 12.701 275 1HZ LYS 40 1HZ LYS 40 -25.878 30.652 14.053 276 2HZ LYS 40 2HZ LYS 40 -25.713 29.538 12.779 277 3HZ LYS 40 3HZ LYS 40 -27.224 29.769 13.520 278 H GLU 41 H GLU 41 -21.061 30.005 9.731 279 HA GLU 41 HA GLU 41 -18.897 31.858 9.504 280 1HB GLU 41 1HB GLU 41 -18.657 28.842 9.393 281 2HB GLU 41 2HB GLU 41 -18.901 29.744 10.888 282 1HG GLU 41 1HG GLU 41 -16.835 31.133 10.091 283 2HG GLU 41 2HG GLU 41 -16.526 29.759 9.031 284 H LEU 42 H LEU 42 -20.324 29.669 7.132 285 HA LEU 42 HA LEU 42 -18.135 29.727 5.249 286 1HB LEU 42 1HB LEU 42 -20.083 29.198 3.596 287 2HB LEU 42 2HB LEU 42 -21.075 29.096 5.050 288 HG LEU 42 HG LEU 42 -19.174 27.529 5.924 289 1HD1 LEU 42 1HD1 LEU 42 -21.610 27.022 5.079 290 2HD1 LEU 42 2HD1 LEU 42 -20.470 25.693 5.286 291 3HD1 LEU 42 3HD1 LEU 42 -20.781 26.345 3.677 292 1HD2 LEU 42 1HD2 LEU 42 -17.812 26.480 4.317 293 2HD2 LEU 42 2HD2 LEU 42 -17.812 28.160 3.783 294 3HD2 LEU 42 3HD2 LEU 42 -18.846 26.980 2.978 295 H GLY 43 H GLY 43 -21.126 31.652 5.568 296 1HA GLY 43 1HA GLY 43 -21.689 33.760 4.720 297 2HA GLY 43 2HA GLY 43 -20.816 33.275 3.269 298 H THR 44 H THR 44 -19.475 33.712 6.552 299 HA THR 44 HA THR 44 -18.373 36.321 6.099 300 HB THR 44 HB THR 44 -16.686 35.423 7.954 301 HG1 THR 44 HG1 THR 44 -17.102 33.351 8.147 302 1HG2 THR 44 1HG2 THR 44 -18.621 35.780 9.625 303 2HG2 THR 44 2HG2 THR 44 -19.618 36.065 8.197 304 3HG2 THR 44 3HG2 THR 44 -18.231 37.103 8.527 305 H VAL 45 H VAL 45 -17.050 33.068 5.552 306 HA VAL 45 HA VAL 45 -14.414 34.016 4.802 307 HB VAL 45 HB VAL 45 -15.599 31.407 3.835 308 1HG1 VAL 45 1HG1 VAL 45 -13.347 31.996 3.052 309 2HG1 VAL 45 2HG1 VAL 45 -13.257 30.647 4.184 310 3HG1 VAL 45 3HG1 VAL 45 -12.824 32.271 4.713 311 1HG2 VAL 45 1HG2 VAL 45 -16.025 30.848 5.988 312 2HG2 VAL 45 2HG2 VAL 45 -15.216 32.291 6.602 313 3HG2 VAL 45 3HG2 VAL 45 -14.281 30.849 6.220 314 H MET 46 H MET 46 -17.442 33.581 3.044 315 HA MET 46 HA MET 46 -16.265 33.735 0.396 316 1HB MET 46 1HB MET 46 -18.520 34.015 -0.408 317 2HB MET 46 2HB MET 46 -19.083 34.543 1.176 318 1HG MET 46 1HG MET 46 -19.475 32.415 1.781 319 2HG MET 46 2HG MET 46 -17.805 31.976 1.429 320 1HE MET 46 1HE MET 46 -16.991 30.788 -0.089 321 2HE MET 46 2HE MET 46 -17.713 30.026 -1.505 322 3HE MET 46 3HE MET 46 -18.147 29.466 0.107 323 NH1 ARG 47 NH1 ARG 47 -17.433 41.663 5.997 324 NH2 ARG 47 NH2 ARG 47 -19.169 40.995 7.298 325 H ARG 47 H ARG 47 -17.990 36.116 2.431 326 HA ARG 47 HA ARG 47 -17.490 38.373 0.733 327 1HB ARG 47 1HB ARG 47 -19.214 38.712 2.294 328 2HB ARG 47 2HB ARG 47 -17.879 39.673 2.919 329 1HG ARG 47 1HG ARG 47 -17.591 37.039 3.917 330 2HG ARG 47 2HG ARG 47 -19.252 37.546 4.215 331 1HD ARG 47 1HD ARG 47 -16.782 39.159 4.945 332 2HD ARG 47 2HD ARG 47 -17.718 38.182 6.079 333 HE ARG 47 HE ARG 47 -19.552 39.938 4.853 334 1HH1 ARG 47 1HH1 ARG 47 -17.220 42.390 6.649 335 2HH1 ARG 47 2HH1 ARG 47 -16.879 41.555 5.171 336 1HH2 ARG 47 1HH2 ARG 47 -19.939 40.379 7.465 337 2HH2 ARG 47 2HH2 ARG 47 -18.961 41.721 7.953 338 H MET 48 H MET 48 -15.381 36.701 2.945 339 HA MET 48 HA MET 48 -13.662 38.853 3.692 340 1HB MET 48 1HB MET 48 -13.664 36.214 4.282 341 2HB MET 48 2HB MET 48 -12.248 37.232 4.513 342 1HG MET 48 1HG MET 48 -11.283 36.500 2.429 343 2HG MET 48 2HG MET 48 -12.771 35.680 1.962 344 1HE MET 48 1HE MET 48 -9.245 34.486 4.203 345 2HE MET 48 2HE MET 48 -10.230 35.249 5.449 346 3HE MET 48 3HE MET 48 -9.884 36.117 3.956 347 H LEU 49 H LEU 49 -13.983 37.013 0.714 348 HA LEU 49 HA LEU 49 -11.680 38.408 -0.531 349 1HB LEU 49 1HB LEU 49 -13.607 36.373 -1.705 350 2HB LEU 49 2HB LEU 49 -12.055 35.972 -0.969 351 HG LEU 49 HG LEU 49 -11.402 37.973 -2.786 352 1HD1 LEU 49 1HD1 LEU 49 -10.039 36.027 -2.447 353 2HD1 LEU 49 2HD1 LEU 49 -10.519 36.014 -4.143 354 3HD1 LEU 49 3HD1 LEU 49 -11.328 34.954 -2.990 355 1HD2 LEU 49 1HD2 LEU 49 -13.519 36.135 -3.950 356 2HD2 LEU 49 2HD2 LEU 49 -12.431 37.125 -4.923 357 3HD2 LEU 49 3HD2 LEU 49 -13.591 37.894 -3.841 358 H GLY 50 H GLY 50 -15.174 38.498 -0.330 359 1HA GLY 50 1HA GLY 50 -15.264 40.556 -2.493 360 2HA GLY 50 2HA GLY 50 -16.026 40.848 -0.934 361 H GLN 51 H GLN 51 -16.795 37.824 -0.972 362 HA GLN 51 HA GLN 51 -18.892 37.916 -3.063 363 1HB GLN 51 1HB GLN 51 -18.578 35.509 -1.362 364 2HB GLN 51 2HB GLN 51 -17.232 35.887 -2.436 365 1HG GLN 51 1HG GLN 51 -18.472 35.505 -4.339 366 2HG GLN 51 2HG GLN 51 -19.978 36.039 -3.592 367 1HE2 GLN 51 1HE2 GLN 51 -21.286 34.438 -2.540 368 2HE2 GLN 51 2HE2 GLN 51 -20.885 32.788 -2.519 369 H ASN 52 H ASN 52 -21.093 37.774 -2.559 370 HA ASN 52 HA ASN 52 -21.785 37.865 0.349 371 1HB ASN 52 1HB ASN 52 -22.103 40.110 -0.209 372 2HB ASN 52 2HB ASN 52 -23.706 39.449 -0.495 373 1HD2 ASN 52 1HD2 ASN 52 -21.771 41.634 -1.826 374 2HD2 ASN 52 2HD2 ASN 52 -22.043 41.373 -3.480 375 HA PRO 53 HA PRO 53 -24.269 34.621 -1.803 376 1HB PRO 53 1HB PRO 53 -22.685 32.982 -1.451 377 2HB PRO 53 2HB PRO 53 -23.651 32.630 -0.009 378 1HG PRO 53 1HG PRO 53 -20.974 33.345 0.057 379 2HG PRO 53 2HG PRO 53 -22.092 33.608 1.404 380 1HD PRO 53 1HD PRO 53 -20.869 35.584 -0.413 381 2HD PRO 53 2HD PRO 53 -21.705 35.856 1.130 382 H THR 54 H THR 54 -25.944 33.082 -0.544 383 HA THR 54 HA THR 54 -27.188 34.774 1.581 384 HB THR 54 HB THR 54 -29.231 34.347 0.689 385 HG1 THR 54 HG1 THR 54 -29.702 32.363 1.161 386 1HG2 THR 54 1HG2 THR 54 -29.282 33.941 -1.673 387 2HG2 THR 54 2HG2 THR 54 -27.744 33.081 -1.622 388 3HG2 THR 54 3HG2 THR 54 -27.792 34.821 -1.338 389 H LYS 55 H LYS 55 -28.390 33.499 3.302 390 HA LYS 55 HA LYS 55 -26.591 31.591 4.516 391 1HB LYS 55 1HB LYS 55 -28.643 31.275 6.093 392 2HB LYS 55 2HB LYS 55 -29.347 32.610 5.179 393 1HG LYS 55 1HG LYS 55 -27.551 34.083 5.787 394 2HG LYS 55 2HG LYS 55 -26.594 32.751 6.438 395 1HD LYS 55 1HD LYS 55 -28.759 32.439 7.973 396 2HD LYS 55 2HD LYS 55 -28.958 34.155 7.619 397 1HE LYS 55 1HE LYS 55 -26.240 33.207 8.432 398 2HE LYS 55 2HE LYS 55 -27.478 33.312 9.683 399 1HZ LYS 55 1HZ LYS 55 -27.866 35.608 9.082 400 2HZ LYS 55 2HZ LYS 55 -26.709 35.514 7.841 401 3HZ LYS 55 3HZ LYS 55 -26.231 35.378 9.464 402 H GLU 56 H GLU 56 -29.856 31.237 3.065 403 HA GLU 56 HA GLU 56 -29.905 28.367 3.364 404 1HB GLU 56 1HB GLU 56 -31.978 29.662 3.089 405 2HB GLU 56 2HB GLU 56 -31.839 28.438 1.831 406 1HG GLU 56 1HG GLU 56 -30.682 30.397 0.482 407 2HG GLU 56 2HG GLU 56 -31.560 31.420 1.618 408 H GLU 57 H GLU 57 -28.527 30.501 0.944 409 HA GLU 57 HA GLU 57 -28.290 28.545 -1.176 410 1HB GLU 57 1HB GLU 57 -26.424 30.884 -0.706 411 2HB GLU 57 2HB GLU 57 -28.052 31.107 -1.346 412 1HG GLU 57 1HG GLU 57 -27.487 29.484 -3.176 413 2HG GLU 57 2HG GLU 57 -25.830 29.446 -2.573 414 H LEU 58 H LEU 58 -26.077 29.735 1.348 415 HA LEU 58 HA LEU 58 -23.949 27.878 0.728 416 1HB LEU 58 1HB LEU 58 -23.597 28.600 3.373 417 2HB LEU 58 2HB LEU 58 -24.528 29.952 2.726 418 HG LEU 58 HG LEU 58 -22.881 30.015 0.796 419 1HD1 LEU 58 1HD1 LEU 58 -21.014 30.990 2.283 420 2HD1 LEU 58 2HD1 LEU 58 -22.040 30.547 3.648 421 3HD1 LEU 58 3HD1 LEU 58 -22.620 31.698 2.446 422 1HD2 LEU 58 1HD2 LEU 58 -21.819 27.930 0.795 423 2HD2 LEU 58 2HD2 LEU 58 -21.647 27.906 2.550 424 3HD2 LEU 58 3HD2 LEU 58 -20.607 28.946 1.575 425 H ASP 59 H ASP 59 -26.813 27.753 2.715 426 HA ASP 59 HA ASP 59 -26.154 25.566 4.420 427 1HB ASP 59 1HB ASP 59 -28.948 25.785 3.401 428 2HB ASP 59 2HB ASP 59 -28.297 27.194 4.235 429 H ALA 60 H ALA 60 -27.447 25.673 1.109 430 HA ALA 60 HA ALA 60 -27.909 22.817 0.910 431 1HB ALA 60 1HB ALA 60 -29.052 24.308 -0.631 432 2HB ALA 60 2HB ALA 60 -27.961 23.286 -1.567 433 3HB ALA 60 3HB ALA 60 -27.516 24.955 -1.208 434 H ILE 61 H ILE 61 -25.185 24.957 0.274 435 HA ILE 61 HA ILE 61 -23.500 23.133 -1.131 436 HB ILE 61 HB ILE 61 -23.063 25.603 0.536 437 1HG1 ILE 61 1HG1 ILE 61 -23.837 25.429 -1.963 438 2HG1 ILE 61 2HG1 ILE 61 -22.138 25.081 -2.281 439 1HG2 ILE 61 1HG2 ILE 61 -21.100 24.332 1.101 440 2HG2 ILE 61 2HG2 ILE 61 -20.617 25.446 -0.177 441 3HG2 ILE 61 3HG2 ILE 61 -20.922 23.752 -0.555 442 1HD1 ILE 61 1HD1 ILE 61 -23.304 27.557 -0.988 443 2HD1 ILE 61 2HD1 ILE 61 -22.407 27.458 -2.502 444 3HD1 ILE 61 3HD1 ILE 61 -21.581 27.185 -0.968 445 H ILE 62 H ILE 62 -24.193 23.527 2.315 446 HA ILE 62 HA ILE 62 -22.027 21.729 3.144 447 HB ILE 62 HB ILE 62 -24.391 22.738 4.759 448 1HG1 ILE 62 1HG1 ILE 62 -23.026 24.588 3.790 449 2HG1 ILE 62 2HG1 ILE 62 -21.585 23.878 4.513 450 1HG2 ILE 62 1HG2 ILE 62 -23.481 21.631 6.504 451 2HG2 ILE 62 2HG2 ILE 62 -21.873 22.254 6.146 452 3HG2 ILE 62 3HG2 ILE 62 -22.455 20.797 5.340 453 1HD1 ILE 62 1HD1 ILE 62 -23.839 24.275 6.383 454 2HD1 ILE 62 2HD1 ILE 62 -23.149 25.763 5.734 455 3HD1 ILE 62 3HD1 ILE 62 -22.124 24.619 6.600 456 H GLU 63 H GLU 63 -25.509 21.529 2.534 457 HA GLU 63 HA GLU 63 -26.123 19.044 3.702 458 1HB GLU 63 1HB GLU 63 -27.392 19.162 1.139 459 2HB GLU 63 2HB GLU 63 -27.315 20.801 1.788 460 1HG GLU 63 1HG GLU 63 -28.667 20.293 3.591 461 2HG GLU 63 2HG GLU 63 -28.135 18.612 3.651 462 H GLU 64 H GLU 64 -24.493 19.717 0.611 463 HA GLU 64 HA GLU 64 -24.442 16.975 -0.302 464 1HB GLU 64 1HB GLU 64 -22.192 18.696 -1.133 465 2HB GLU 64 2HB GLU 64 -23.784 19.399 -1.417 466 1HG GLU 64 1HG GLU 64 -23.659 18.171 -3.349 467 2HG GLU 64 2HG GLU 64 -24.224 16.870 -2.300 468 H VAL 65 H VAL 65 -22.175 18.974 1.574 469 HA VAL 65 HA VAL 65 -20.096 16.971 1.738 470 HB VAL 65 HB VAL 65 -20.615 19.223 3.702 471 1HG1 VAL 65 1HG1 VAL 65 -18.794 17.263 3.919 472 2HG1 VAL 65 2HG1 VAL 65 -18.446 18.918 4.415 473 3HG1 VAL 65 3HG1 VAL 65 -17.899 18.335 2.844 474 1HG2 VAL 65 1HG2 VAL 65 -19.416 19.229 0.934 475 2HG2 VAL 65 2HG2 VAL 65 -18.883 20.399 2.142 476 3HG2 VAL 65 3HG2 VAL 65 -20.573 20.359 1.638 477 H ASP 66 H ASP 66 -23.028 17.585 3.577 478 HA ASP 66 HA ASP 66 -22.331 15.995 5.888 479 1HB ASP 66 1HB ASP 66 -24.824 16.050 6.310 480 2HB ASP 66 2HB ASP 66 -25.003 16.917 4.786 481 H GLU 67 H GLU 67 -21.441 14.215 4.415 482 HA GLU 67 HA GLU 67 -23.213 12.489 2.947 483 1HB GLU 67 1HB GLU 67 -20.668 11.571 4.292 484 2HB GLU 67 2HB GLU 67 -20.630 12.602 2.864 485 1HG GLU 67 1HG GLU 67 -22.297 10.094 2.866 486 2HG GLU 67 2HG GLU 67 -20.563 9.998 2.563 487 H ASP 68 H ASP 68 -22.017 12.411 6.312 488 HA ASP 68 HA ASP 68 -23.516 9.967 6.921 489 1HB ASP 68 1HB ASP 68 -22.735 10.369 9.245 490 2HB ASP 68 2HB ASP 68 -22.067 11.921 8.738 491 H GLY 69 H GLY 69 -23.885 13.461 7.486 492 1HA GLY 69 1HA GLY 69 -26.676 12.917 8.424 493 2HA GLY 69 2HA GLY 69 -26.229 14.325 7.459 494 H SER 70 H SER 70 -24.151 15.462 8.625 495 HA SER 70 HA SER 70 -24.552 15.556 11.564 496 1HB SER 70 1HB SER 70 -22.533 17.093 9.910 497 2HB SER 70 2HB SER 70 -22.244 15.460 10.500 498 HG SER 70 HG SER 70 -22.077 16.159 12.489 499 H GLY 71 H GLY 71 -24.410 17.878 8.832 500 1HA GLY 71 1HA GLY 71 -26.050 19.764 10.474 501 2HA GLY 71 2HA GLY 71 -26.459 19.435 8.790 502 H THR 72 H THR 72 -23.379 20.096 10.505 503 HA THR 72 HA THR 72 -22.932 22.401 8.650 504 HB THR 72 HB THR 72 -21.323 23.200 10.363 505 HG1 THR 72 HG1 THR 72 -20.660 21.833 11.784 506 1HG2 THR 72 1HG2 THR 72 -23.787 23.778 10.431 507 2HG2 THR 72 2HG2 THR 72 -22.947 23.915 11.976 508 3HG2 THR 72 3HG2 THR 72 -23.971 22.517 11.651 509 H ILE 73 H ILE 73 -20.206 22.672 8.665 510 HA ILE 73 HA ILE 73 -19.338 20.107 7.416 511 HB ILE 73 HB ILE 73 -17.671 22.592 7.316 512 1HG1 ILE 73 1HG1 ILE 73 -20.018 23.301 6.762 513 2HG1 ILE 73 2HG1 ILE 73 -20.050 22.075 5.497 514 1HG2 ILE 73 1HG2 ILE 73 -17.617 21.491 4.852 515 2HG2 ILE 73 2HG2 ILE 73 -18.041 20.064 5.798 516 3HG2 ILE 73 3HG2 ILE 73 -16.563 20.956 6.159 517 1HD1 ILE 73 1HD1 ILE 73 -18.266 24.517 5.669 518 2HD1 ILE 73 2HD1 ILE 73 -19.456 24.136 4.425 519 3HD1 ILE 73 3HD1 ILE 73 -17.969 23.197 4.539 520 H ASP 74 H ASP 74 -17.743 18.909 8.309 521 HA ASP 74 HA ASP 74 -16.512 19.888 10.844 522 1HB ASP 74 1HB ASP 74 -16.052 17.466 11.267 523 2HB ASP 74 2HB ASP 74 -16.878 17.079 9.761 524 H PHE 75 H PHE 75 -14.241 18.775 11.185 525 HA PHE 75 HA PHE 75 -12.514 19.693 9.040 526 1HB PHE 75 1HB PHE 75 -11.789 17.999 11.455 527 2HB PHE 75 2HB PHE 75 -11.840 19.761 11.452 528 HD1 PHE 75 HD1 PHE 75 -9.485 17.520 11.735 529 HD2 PHE 75 HD2 PHE 75 -10.717 20.337 8.733 530 HE1 PHE 75 HE1 PHE 75 -7.175 17.582 10.840 531 HE2 PHE 75 HE2 PHE 75 -8.407 20.396 7.839 532 HZ PHE 75 HZ PHE 75 -6.634 19.020 8.893 533 H GLU 76 H GLU 76 -13.371 16.483 10.343 534 HA GLU 76 HA GLU 76 -11.857 15.001 8.386 535 1HB GLU 76 1HB GLU 76 -14.364 13.971 9.716 536 2HB GLU 76 2HB GLU 76 -12.880 14.196 10.642 537 1HG GLU 76 1HG GLU 76 -11.752 12.819 8.746 538 2HG GLU 76 2HG GLU 76 -13.395 12.333 8.324 539 H GLU 77 H GLU 77 -14.946 16.616 8.309 540 HA GLU 77 HA GLU 77 -16.016 15.173 6.007 541 1HB GLU 77 1HB GLU 77 -16.956 17.920 6.245 542 2HB GLU 77 2HB GLU 77 -16.993 17.112 7.812 543 1HG GLU 77 1HG GLU 77 -17.993 15.501 5.535 544 2HG GLU 77 2HG GLU 77 -18.975 16.903 5.955 545 H PHE 78 H PHE 78 -14.071 18.006 6.653 546 HA PHE 78 HA PHE 78 -13.879 18.987 3.949 547 1HB PHE 78 1HB PHE 78 -12.240 19.365 6.469 548 2HB PHE 78 2HB PHE 78 -13.431 20.470 5.797 549 HD1 PHE 78 HD1 PHE 78 -9.968 19.468 5.815 550 HD2 PHE 78 HD2 PHE 78 -12.944 21.543 3.517 551 HE1 PHE 78 HE1 PHE 78 -8.182 20.582 4.507 552 HE2 PHE 78 HE2 PHE 78 -11.156 22.656 2.208 553 HZ PHE 78 HZ PHE 78 -8.775 22.175 2.703 554 H LEU 79 H LEU 79 -12.001 16.729 5.954 555 HA LEU 79 HA LEU 79 -9.826 16.409 4.061 556 1HB LEU 79 1HB LEU 79 -9.259 14.408 5.424 557 2HB LEU 79 2HB LEU 79 -10.779 14.602 6.291 558 HG LEU 79 HG LEU 79 -9.956 17.005 6.797 559 1HD1 LEU 79 1HD1 LEU 79 -9.170 16.269 8.839 560 2HD1 LEU 79 2HD1 LEU 79 -8.164 15.012 8.120 561 3HD1 LEU 79 3HD1 LEU 79 -9.906 14.775 8.262 562 1HD2 LEU 79 1HD2 LEU 79 -7.646 17.469 6.587 563 2HD2 LEU 79 2HD2 LEU 79 -8.054 16.685 5.061 564 3HD2 LEU 79 3HD2 LEU 79 -7.239 15.771 6.331 565 H VAL 80 H VAL 80 -12.658 14.343 4.858 566 HA VAL 80 HA VAL 80 -12.176 12.394 2.826 567 HB VAL 80 HB VAL 80 -13.794 12.192 4.778 568 1HG1 VAL 80 1HG1 VAL 80 -14.930 14.376 4.409 569 2HG1 VAL 80 2HG1 VAL 80 -16.064 13.031 4.472 570 3HG1 VAL 80 3HG1 VAL 80 -15.623 13.739 2.919 571 1HG2 VAL 80 1HG2 VAL 80 -15.140 10.622 3.639 572 2HG2 VAL 80 2HG2 VAL 80 -13.689 10.724 2.642 573 3HG2 VAL 80 3HG2 VAL 80 -15.155 11.576 2.156 574 H MET 81 H MET 81 -13.632 15.582 2.722 575 HA MET 81 HA MET 81 -14.899 15.338 0.144 576 1HB MET 81 1HB MET 81 -14.073 17.582 1.961 577 2HB MET 81 2HB MET 81 -15.669 17.188 1.339 578 1HG MET 81 1HG MET 81 -14.800 17.868 -0.961 579 2HG MET 81 2HG MET 81 -13.387 18.510 -0.124 580 1HE MET 81 1HE MET 81 -14.366 21.108 2.101 581 2HE MET 81 2HE MET 81 -13.653 21.467 0.532 582 3HE MET 81 3HE MET 81 -13.196 19.994 1.382 583 H MET 82 H MET 82 -11.687 16.396 1.265 584 HA MET 82 HA MET 82 -10.708 17.024 -1.408 585 1HB MET 82 1HB MET 82 -9.023 16.282 0.998 586 2HB MET 82 2HB MET 82 -9.755 17.876 0.818 587 1HG MET 82 1HG MET 82 -8.110 16.714 -1.419 588 2HG MET 82 2HG MET 82 -7.314 17.488 -0.051 589 1HE MET 82 1HE MET 82 -7.093 19.984 -2.974 590 2HE MET 82 2HE MET 82 -7.839 18.494 -3.545 591 3HE MET 82 3HE MET 82 -6.521 18.420 -2.379 592 H VAL 83 H VAL 83 -10.888 14.162 0.613 593 HA VAL 83 HA VAL 83 -9.038 12.520 -0.859 594 HB VAL 83 HB VAL 83 -11.198 12.078 1.188 595 1HG1 VAL 83 1HG1 VAL 83 -11.567 10.166 -0.194 596 2HG1 VAL 83 2HG1 VAL 83 -10.521 9.615 1.114 597 3HG1 VAL 83 3HG1 VAL 83 -9.840 9.947 -0.478 598 1HG2 VAL 83 1HG2 VAL 83 -8.890 10.777 1.953 599 2HG2 VAL 83 2HG2 VAL 83 -9.319 12.425 2.407 600 3HG2 VAL 83 3HG2 VAL 83 -8.260 12.138 1.026 601 NH1 ARG 84 NH1 ARG 84 -19.358 12.684 -1.885 602 NH2 ARG 84 NH2 ARG 84 -17.859 10.984 -1.832 603 H ARG 84 H ARG 84 -12.487 13.266 -1.232 604 HA ARG 84 HA ARG 84 -12.795 11.171 -3.299 605 1HB ARG 84 1HB ARG 84 -14.640 11.581 -1.697 606 2HB ARG 84 2HB ARG 84 -15.147 11.852 -3.362 607 1HG ARG 84 1HG ARG 84 -14.394 14.347 -2.821 608 2HG ARG 84 2HG ARG 84 -14.701 13.838 -1.163 609 1HD ARG 84 1HD ARG 84 -16.702 13.427 -3.396 610 2HD ARG 84 2HD ARG 84 -16.684 14.874 -2.391 611 HE ARG 84 HE ARG 84 -16.983 13.253 -0.422 612 1HH1 ARG 84 1HH1 ARG 84 -20.082 12.040 -2.135 613 2HH1 ARG 84 2HH1 ARG 84 -19.571 13.655 -1.778 614 1HH2 ARG 84 1HH2 ARG 84 -16.925 10.656 -1.685 615 2HH2 ARG 84 2HH2 ARG 84 -18.580 10.337 -2.083 616 H GLN 85 H GLN 85 -11.427 14.159 -3.340 617 HA GLN 85 HA GLN 85 -12.522 14.882 -6.020 618 1HB GLN 85 1HB GLN 85 -11.084 17.024 -5.491 619 2HB GLN 85 2HB GLN 85 -11.178 16.444 -3.828 620 1HG GLN 85 1HG GLN 85 -13.596 16.490 -3.883 621 2HG GLN 85 2HG GLN 85 -13.600 16.828 -5.614 622 1HE2 GLN 85 1HE2 GLN 85 -13.362 18.261 -2.449 623 2HE2 GLN 85 2HE2 GLN 85 -13.144 19.862 -2.965 624 H MET 86 H MET 86 -9.557 14.106 -4.238 625 HA MET 86 HA MET 86 -7.989 14.265 -6.765 626 1HB MET 86 1HB MET 86 -7.095 15.325 -4.668 627 2HB MET 86 2HB MET 86 -6.014 14.124 -5.373 628 1HG MET 86 1HG MET 86 -6.393 12.587 -3.673 629 2HG MET 86 2HG MET 86 -7.995 13.226 -3.307 630 1HE MET 86 1HE MET 86 -4.131 13.443 -2.417 631 2HE MET 86 2HE MET 86 -3.977 15.196 -2.331 632 3HE MET 86 3HE MET 86 -4.484 14.436 -3.837 633 H LYS 87 H LYS 87 -10.003 12.056 -5.822 634 HA LYS 87 HA LYS 87 -8.520 9.656 -5.366 635 1HB LYS 87 1HB LYS 87 -10.937 9.785 -4.960 636 2HB LYS 87 2HB LYS 87 -10.579 8.482 -6.090 637 1HG LYS 87 1HG LYS 87 -11.023 11.045 -7.440 638 2HG LYS 87 2HG LYS 87 -12.420 10.529 -6.497 639 1HD LYS 87 1HD LYS 87 -11.122 8.396 -8.090 640 2HD LYS 87 2HD LYS 87 -11.893 9.671 -9.035 641 1HE LYS 87 1HE LYS 87 -14.013 9.263 -8.061 642 2HE LYS 87 2HE LYS 87 -13.318 8.351 -6.722 643 1HZ LYS 87 1HZ LYS 87 -14.331 6.885 -8.346 644 2HZ LYS 87 2HZ LYS 87 -12.652 6.632 -8.283 645 3HZ LYS 87 3HZ LYS 87 -13.335 7.507 -9.569 646 H GLU 88 H GLU 88 -9.132 11.449 -8.299 647 HA GLU 88 HA GLU 88 -8.653 9.349 -10.197 648 1HB GLU 88 1HB GLU 88 -7.757 11.627 -11.454 649 2HB GLU 88 2HB GLU 88 -8.842 12.289 -10.230 650 1HG GLU 88 1HG GLU 88 -10.403 10.290 -11.097 651 2HG GLU 88 2HG GLU 88 -9.454 10.527 -12.566 652 H ASP 89 H ASP 89 -6.481 11.832 -8.837 653 HA ASP 89 HA ASP 89 -4.112 10.932 -10.163 654 1HB ASP 89 1HB ASP 89 -4.273 12.314 -7.469 655 2HB ASP 89 2HB ASP 89 -4.400 13.153 -9.014 656 H ALA 90 H ALA 90 -5.678 9.869 -7.172 657 HA ALA 90 HA ALA 90 -3.417 8.311 -6.231 658 1HB ALA 90 1HB ALA 90 -4.891 7.513 -4.538 659 2HB ALA 90 2HB ALA 90 -6.318 7.843 -5.519 660 3HB ALA 90 3HB ALA 90 -5.388 9.177 -4.840 661 H LYS 91 H LYS 91 -2.751 6.934 -7.926 662 HA LYS 91 HA LYS 91 -4.613 5.225 -9.359 663 1HB LYS 91 1HB LYS 91 -2.454 5.888 -10.361 664 2HB LYS 91 2HB LYS 91 -2.597 4.135 -10.269 665 1HG LYS 91 1HG LYS 91 -1.067 3.978 -8.486 666 2HG LYS 91 2HG LYS 91 -1.255 5.677 -8.052 667 1HD LYS 91 1HD LYS 91 -0.245 5.103 -10.794 668 2HD LYS 91 2HD LYS 91 0.855 4.760 -9.460 669 1HE LYS 91 1HE LYS 91 -0.132 7.213 -8.730 670 2HE LYS 91 2HE LYS 91 -0.115 7.356 -10.486 671 1HZ LYS 91 1HZ LYS 91 1.987 8.052 -9.532 672 2HZ LYS 91 2HZ LYS 91 2.201 6.663 -10.487 673 3HZ LYS 91 3HZ LYS 91 2.184 6.538 -8.793 674 H GLY 92 H GLY 92 -2.386 4.755 -6.635 675 1HA GLY 92 1HA GLY 92 -2.907 1.941 -6.298 676 2HA GLY 92 2HA GLY 92 -3.939 2.893 -5.228 677 H LYS 93 H LYS 93 -2.118 5.021 -4.685 678 HA LYS 93 HA LYS 93 0.473 4.147 -3.874 679 1HB LYS 93 1HB LYS 93 -0.082 6.515 -4.156 680 2HB LYS 93 2HB LYS 93 0.498 6.218 -2.525 681 1HG LYS 93 1HG LYS 93 -1.851 6.110 -1.722 682 2HG LYS 93 2HG LYS 93 -2.407 6.467 -3.357 683 1HD LYS 93 1HD LYS 93 -0.415 8.303 -2.060 684 2HD LYS 93 2HD LYS 93 -2.111 8.415 -1.592 685 1HE LYS 93 1HE LYS 93 -2.744 8.714 -3.964 686 2HE LYS 93 2HE LYS 93 -1.046 8.602 -4.429 687 1HZ LYS 93 1HZ LYS 93 -0.601 10.541 -3.017 688 2HZ LYS 93 2HZ LYS 93 -2.260 10.668 -2.673 689 3HZ LYS 93 3HZ LYS 93 -1.699 10.896 -4.260 690 H SER 94 H SER 94 -2.660 3.965 -2.245 691 HA SER 94 HA SER 94 -1.612 3.414 0.393 692 1HB SER 94 1HB SER 94 -3.898 4.177 0.166 693 2HB SER 94 2HB SER 94 -3.931 2.551 0.836 694 HG SER 94 HG SER 94 -5.413 2.709 -0.849 695 H GLU 95 H GLU 95 -2.224 1.406 -2.436 696 HA GLU 95 HA GLU 95 -2.200 -1.131 -1.057 697 1HB GLU 95 1HB GLU 95 -1.514 -1.909 -3.486 698 2HB GLU 95 2HB GLU 95 -1.940 -0.250 -3.908 699 1HG GLU 95 1HG GLU 95 -4.120 -0.696 -2.573 700 2HG GLU 95 2HG GLU 95 -3.689 -2.400 -2.707 701 H GLU 96 H GLU 96 0.337 1.078 -1.529 702 HA GLU 96 HA GLU 96 2.525 -0.615 -2.189 703 1HB GLU 96 1HB GLU 96 2.627 1.886 -2.085 704 2HB GLU 96 2HB GLU 96 3.955 1.098 -1.241 705 1HG GLU 96 1HG GLU 96 1.562 1.628 0.422 706 2HG GLU 96 2HG GLU 96 2.403 3.066 -0.149 707 H GLU 97 H GLU 97 0.733 -0.300 0.811 708 HA GLU 97 HA GLU 97 2.659 -1.320 2.640 709 1HB GLU 97 1HB GLU 97 0.182 -2.340 3.471 710 2HB GLU 97 2HB GLU 97 -0.216 -0.860 2.600 711 1HG GLU 97 1HG GLU 97 0.992 0.484 4.072 712 2HG GLU 97 2HG GLU 97 2.056 -0.834 4.567 713 H LEU 98 H LEU 98 0.030 -3.140 0.992 714 HA LEU 98 HA LEU 98 1.146 -5.711 1.720 715 1HB LEU 98 1HB LEU 98 -0.459 -6.432 -0.256 716 2HB LEU 98 2HB LEU 98 -1.050 -4.782 -0.099 717 HG LEU 98 HG LEU 98 -0.740 -6.524 2.339 718 1HD1 LEU 98 1HD1 LEU 98 -2.331 -4.083 1.550 719 2HD1 LEU 98 2HD1 LEU 98 -1.209 -4.275 2.897 720 3HD1 LEU 98 3HD1 LEU 98 -2.787 -5.056 2.949 721 1HD2 LEU 98 1HD2 LEU 98 -2.103 -7.762 0.636 722 2HD2 LEU 98 2HD2 LEU 98 -3.202 -6.385 0.572 723 3HD2 LEU 98 3HD2 LEU 98 -3.031 -7.307 2.065 724 H ALA 99 H ALA 99 1.616 -3.518 -0.993 725 HA ALA 99 HA ALA 99 2.759 -5.377 -2.849 726 1HB ALA 99 1HB ALA 99 3.559 -3.465 -4.033 727 2HB ALA 99 2HB ALA 99 3.572 -2.476 -2.573 728 3HB ALA 99 3HB ALA 99 2.039 -2.962 -3.296 729 H ASN 100 H ASN 100 4.186 -3.477 -0.200 730 HA ASN 100 HA ASN 100 6.926 -4.171 -0.764 731 1HB ASN 100 1HB ASN 100 7.119 -3.626 1.809 732 2HB ASN 100 2HB ASN 100 5.454 -3.076 1.620 733 1HD2 ASN 100 1HD2 ASN 100 5.301 -0.896 1.057 734 2HD2 ASN 100 2HD2 ASN 100 6.480 -0.022 0.205 735 H CYS 101 H CYS 101 4.510 -5.521 1.512 736 HA CYS 101 HA CYS 101 6.202 -7.627 2.500 737 1HB CYS 101 1HB CYS 101 4.015 -8.681 3.196 738 2HB CYS 101 2HB CYS 101 3.185 -7.367 2.362 739 HG CYS 101 HG CYS 101 4.470 -5.696 4.024 740 H PHE 102 H PHE 102 4.018 -7.359 -0.264 741 HA PHE 102 HA PHE 102 3.951 -10.102 -1.051 742 1HB PHE 102 1HB PHE 102 3.902 -7.647 -2.840 743 2HB PHE 102 2HB PHE 102 2.499 -8.267 -1.972 744 HD1 PHE 102 HD1 PHE 102 1.889 -10.775 -2.377 745 HD2 PHE 102 HD2 PHE 102 4.399 -8.458 -4.978 746 HE1 PHE 102 HE1 PHE 102 1.443 -12.366 -4.222 747 HE2 PHE 102 HE2 PHE 102 3.954 -10.051 -6.824 748 HZ PHE 102 HZ PHE 102 2.472 -12.007 -6.446 749 NH1 ARG 103 NH1 ARG 103 11.524 -5.204 -6.140 750 NH2 ARG 103 NH2 ARG 103 10.170 -3.397 -6.365 751 H ARG 103 H ARG 103 6.229 -7.461 -1.800 752 HA ARG 103 HA ARG 103 7.874 -9.028 -3.599 753 1HB ARG 103 1HB ARG 103 9.557 -7.190 -3.194 754 2HB ARG 103 2HB ARG 103 8.431 -6.496 -2.025 755 1HG ARG 103 1HG ARG 103 7.359 -5.464 -3.715 756 2HG ARG 103 2HG ARG 103 6.947 -7.040 -4.394 757 1HD ARG 103 1HD ARG 103 8.140 -5.877 -6.111 758 2HD ARG 103 2HD ARG 103 9.281 -7.041 -5.439 759 HE ARG 103 HE ARG 103 9.655 -4.666 -3.979 760 1HH1 ARG 103 1HH1 ARG 103 10.783 -3.023 -7.062 761 2HH1 ARG 103 2HH1 ARG 103 9.347 -2.893 -6.102 762 1HH2 ARG 103 1HH2 ARG 103 11.734 -6.080 -5.705 763 2HH2 ARG 103 2HH2 ARG 103 12.139 -4.832 -6.836 764 H ILE 104 H ILE 104 7.887 -8.468 -0.100 765 HA ILE 104 HA ILE 104 10.479 -9.487 0.493 766 HB ILE 104 HB ILE 104 7.915 -9.475 2.112 767 1HG1 ILE 104 1HG1 ILE 104 9.205 -7.323 1.387 768 2HG1 ILE 104 2HG1 ILE 104 10.402 -7.835 2.576 769 1HG2 ILE 104 1HG2 ILE 104 9.235 -11.234 3.063 770 2HG2 ILE 104 2HG2 ILE 104 9.519 -9.814 4.070 771 3HG2 ILE 104 3HG2 ILE 104 10.723 -10.305 2.881 772 1HD1 ILE 104 1HD1 ILE 104 8.077 -6.375 3.096 773 2HD1 ILE 104 2HD1 ILE 104 9.091 -7.178 4.295 774 3HD1 ILE 104 3HD1 ILE 104 7.687 -8.010 3.629 775 H PHE 105 H PHE 105 7.361 -11.182 0.076 776 HA PHE 105 HA PHE 105 8.491 -13.778 0.770 777 1HB PHE 105 1HB PHE 105 6.296 -14.607 -0.264 778 2HB PHE 105 2HB PHE 105 5.879 -12.906 -0.480 779 HD1 PHE 105 HD1 PHE 105 7.133 -15.279 2.146 780 HD2 PHE 105 HD2 PHE 105 4.821 -11.766 1.269 781 HE1 PHE 105 HE1 PHE 105 6.422 -15.154 4.517 782 HE2 PHE 105 HE2 PHE 105 4.112 -11.641 3.640 783 HZ PHE 105 HZ PHE 105 4.911 -13.336 5.265 784 H ASP 106 H ASP 106 8.032 -11.924 -2.203 785 HA ASP 106 HA ASP 106 8.779 -14.233 -3.882 786 1HB ASP 106 1HB ASP 106 8.301 -11.328 -4.630 787 2HB ASP 106 2HB ASP 106 7.080 -12.594 -4.670 788 H LYS 107 H LYS 107 10.906 -14.526 -2.862 789 HA LYS 107 HA LYS 107 12.941 -12.467 -2.970 790 1HB LYS 107 1HB LYS 107 14.510 -14.300 -2.437 791 2HB LYS 107 2HB LYS 107 13.231 -15.478 -2.737 792 1HG LYS 107 1HG LYS 107 11.871 -14.357 -0.951 793 2HG LYS 107 2HG LYS 107 13.258 -13.326 -0.596 794 1HD LYS 107 1HD LYS 107 13.627 -16.306 -0.646 795 2HD LYS 107 2HD LYS 107 12.880 -15.562 0.765 796 1HE LYS 107 1HE LYS 107 15.314 -14.199 -0.220 797 2HE LYS 107 2HE LYS 107 15.582 -15.822 0.414 798 1HZ LYS 107 1HZ LYS 107 14.418 -15.184 2.436 799 2HZ LYS 107 2HZ LYS 107 14.176 -13.617 1.826 800 3HZ LYS 107 3HZ LYS 107 15.748 -14.168 2.159 801 H ASN 108 H ASN 108 11.571 -14.417 -5.415 802 HA ASN 108 HA ASN 108 14.003 -14.542 -7.068 803 1HB ASN 108 1HB ASN 108 11.365 -15.082 -8.305 804 2HB ASN 108 2HB ASN 108 11.786 -16.124 -6.947 805 1HD2 ASN 108 1HD2 ASN 108 12.879 -17.976 -7.624 806 2HD2 ASN 108 2HD2 ASN 108 13.928 -18.060 -8.955 807 H ALA 109 H ALA 109 11.326 -12.381 -6.562 808 HA ALA 109 HA ALA 109 10.788 -10.330 -7.531 809 1HB ALA 109 1HB ALA 109 13.369 -10.410 -9.074 810 2HB ALA 109 2HB ALA 109 13.393 -10.203 -7.322 811 3HB ALA 109 3HB ALA 109 12.556 -9.029 -8.337 812 H ASP 110 H ASP 110 9.715 -12.576 -8.785 813 HA ASP 110 HA ASP 110 10.004 -12.024 -11.704 814 1HB ASP 110 1HB ASP 110 8.823 -14.179 -12.020 815 2HB ASP 110 2HB ASP 110 8.682 -14.354 -10.273 816 H GLY 111 H GLY 111 7.593 -12.285 -9.088 817 1HA GLY 111 1HA GLY 111 5.464 -11.307 -10.899 818 2HA GLY 111 2HA GLY 111 5.921 -10.249 -9.569 819 H PHE 112 H PHE 112 6.032 -13.736 -9.125 820 HA PHE 112 HA PHE 112 3.716 -13.480 -7.255 821 1HB PHE 112 1HB PHE 112 2.706 -15.482 -8.026 822 2HB PHE 112 2HB PHE 112 4.139 -15.956 -8.932 823 HD1 PHE 112 HD1 PHE 112 1.454 -13.357 -8.778 824 HD2 PHE 112 HD2 PHE 112 4.372 -15.363 -11.209 825 HE1 PHE 112 HE1 PHE 112 0.546 -12.234 -10.792 826 HE2 PHE 112 HE2 PHE 112 3.465 -14.237 -13.223 827 HZ PHE 112 HZ PHE 112 1.552 -12.672 -13.016 828 H ILE 113 H ILE 113 3.741 -15.074 -5.525 829 HA ILE 113 HA ILE 113 6.497 -15.828 -4.743 830 HB ILE 113 HB ILE 113 3.844 -15.881 -3.267 831 1HG1 ILE 113 1HG1 ILE 113 6.354 -14.193 -3.094 832 2HG1 ILE 113 2HG1 ILE 113 5.184 -14.271 -1.779 833 1HG2 ILE 113 1HG2 ILE 113 5.298 -16.468 -1.262 834 2HG2 ILE 113 2HG2 ILE 113 6.582 -16.854 -2.409 835 3HG2 ILE 113 3HG2 ILE 113 5.074 -17.768 -2.431 836 1HD1 ILE 113 1HD1 ILE 113 3.459 -13.767 -3.731 837 2HD1 ILE 113 2HD1 ILE 113 4.889 -13.085 -4.508 838 3HD1 ILE 113 3HD1 ILE 113 4.349 -12.460 -2.951 839 H ASP 114 H ASP 114 7.216 -17.949 -4.729 840 HA ASP 114 HA ASP 114 5.357 -19.991 -5.836 841 1HB ASP 114 1HB ASP 114 7.240 -21.198 -6.542 842 2HB ASP 114 2HB ASP 114 8.287 -20.455 -5.338 843 H ILE 115 H ILE 115 5.078 -22.019 -4.815 844 HA ILE 115 HA ILE 115 4.916 -21.977 -1.955 845 HB ILE 115 HB ILE 115 3.469 -23.386 -3.399 846 1HG1 ILE 115 1HG1 ILE 115 3.572 -24.045 -1.117 847 2HG1 ILE 115 2HG1 ILE 115 5.177 -24.745 -1.307 848 1HG2 ILE 115 1HG2 ILE 115 4.277 -25.301 -4.554 849 2HG2 ILE 115 2HG2 ILE 115 5.843 -25.222 -3.752 850 3HG2 ILE 115 3HG2 ILE 115 5.408 -24.012 -4.958 851 1HD1 ILE 115 1HD1 ILE 115 3.226 -26.400 -1.228 852 2HD1 ILE 115 2HD1 ILE 115 4.333 -26.569 -2.589 853 3HD1 ILE 115 3HD1 ILE 115 2.771 -25.783 -2.817 854 H GLU 116 H GLU 116 7.217 -23.457 -4.207 855 HA GLU 116 HA GLU 116 8.846 -24.770 -2.242 856 1HB GLU 116 1HB GLU 116 8.994 -25.310 -4.647 857 2HB GLU 116 2HB GLU 116 10.571 -24.846 -4.012 858 1HG GLU 116 1HG GLU 116 10.387 -22.638 -4.972 859 2HG GLU 116 2HG GLU 116 8.699 -22.905 -5.405 860 H GLU 117 H GLU 117 8.831 -21.478 -3.545 861 HA GLU 117 HA GLU 117 11.319 -20.619 -2.403 862 1HB GLU 117 1HB GLU 117 9.223 -18.565 -2.547 863 2HB GLU 117 2HB GLU 117 9.392 -19.483 -4.044 864 1HG GLU 117 1HG GLU 117 10.922 -17.654 -4.221 865 2HG GLU 117 2HG GLU 117 11.909 -19.067 -3.848 866 H LEU 118 H LEU 118 7.946 -20.514 -1.213 867 HA LEU 118 HA LEU 118 8.613 -19.213 1.284 868 1HB LEU 118 1HB LEU 118 6.217 -20.999 0.846 869 2HB LEU 118 2HB LEU 118 6.308 -19.384 0.144 870 HG LEU 118 HG LEU 118 6.905 -19.726 3.065 871 1HD1 LEU 118 1HD1 LEU 118 5.975 -17.582 1.189 872 2HD1 LEU 118 2HD1 LEU 118 7.222 -17.516 2.434 873 3HD1 LEU 118 3HD1 LEU 118 5.519 -17.469 2.890 874 1HD2 LEU 118 1HD2 LEU 118 4.812 -20.955 2.782 875 2HD2 LEU 118 2HD2 LEU 118 4.136 -19.638 1.823 876 3HD2 LEU 118 3HD2 LEU 118 4.472 -19.399 3.537 877 H GLY 119 H GLY 119 8.716 -22.550 0.210 878 1HA GLY 119 1HA GLY 119 9.462 -24.487 1.294 879 2HA GLY 119 2HA GLY 119 8.519 -23.926 2.671 880 H GLU 120 H GLU 120 11.502 -22.706 1.073 881 HA GLU 120 HA GLU 120 13.234 -23.402 3.266 882 1HB GLU 120 1HB GLU 120 14.702 -21.532 2.180 883 2HB GLU 120 2HB GLU 120 13.474 -21.543 0.912 884 1HG GLU 120 1HG GLU 120 13.809 -24.056 0.760 885 2HG GLU 120 2HG GLU 120 15.198 -23.861 1.830 886 H ILE 121 H ILE 121 11.364 -20.480 2.500 887 HA ILE 121 HA ILE 121 12.505 -18.750 4.457 888 HB ILE 121 HB ILE 121 9.675 -18.846 3.357 889 1HG1 ILE 121 1HG1 ILE 121 11.719 -18.477 1.804 890 2HG1 ILE 121 2HG1 ILE 121 11.895 -16.928 2.626 891 1HG2 ILE 121 1HG2 ILE 121 11.134 -16.712 4.946 892 2HG2 ILE 121 2HG2 ILE 121 9.676 -17.578 5.429 893 3HG2 ILE 121 3HG2 ILE 121 9.619 -16.438 4.086 894 1HD1 ILE 121 1HD1 ILE 121 10.240 -16.046 1.379 895 2HD1 ILE 121 2HD1 ILE 121 9.132 -17.316 1.898 896 3HD1 ILE 121 3HD1 ILE 121 10.151 -17.559 0.479 897 H LEU 122 H LEU 122 9.904 -21.175 4.705 898 HA LEU 122 HA LEU 122 9.185 -20.527 7.427 899 1HB LEU 122 1HB LEU 122 8.436 -23.121 7.201 900 2HB LEU 122 2HB LEU 122 8.598 -22.706 5.493 901 HG LEU 122 HG LEU 122 7.226 -20.575 6.149 902 1HD1 LEU 122 1HD1 LEU 122 6.078 -23.371 5.971 903 2HD1 LEU 122 2HD1 LEU 122 6.310 -22.221 4.655 904 3HD1 LEU 122 3HD1 LEU 122 5.087 -21.914 5.888 905 1HD2 LEU 122 1HD2 LEU 122 6.524 -22.496 8.393 906 2HD2 LEU 122 2HD2 LEU 122 5.673 -20.993 8.035 907 3HD2 LEU 122 3HD2 LEU 122 7.349 -20.949 8.582 908 NH1 ARG 123 NH1 ARG 123 12.627 -29.576 4.243 909 NH2 ARG 123 NH2 ARG 123 11.864 -30.336 6.239 910 H ARG 123 H ARG 123 11.324 -23.024 6.005 911 HA ARG 123 HA ARG 123 12.111 -24.123 8.563 912 1HB ARG 123 1HB ARG 123 13.991 -25.148 7.191 913 2HB ARG 123 2HB ARG 123 13.322 -24.299 5.796 914 1HG ARG 123 1HG ARG 123 11.333 -25.548 5.837 915 2HG ARG 123 2HG ARG 123 11.550 -26.016 7.522 916 1HD ARG 123 1HD ARG 123 13.335 -27.529 6.946 917 2HD ARG 123 2HD ARG 123 13.389 -26.923 5.291 918 HE ARG 123 HE ARG 123 10.767 -27.883 5.714 919 1HH1 ARG 123 1HH1 ARG 123 12.135 -31.267 5.991 920 2HH1 ARG 123 2HH1 ARG 123 11.433 -30.162 7.125 921 1HH2 ARG 123 1HH2 ARG 123 12.781 -28.821 3.604 922 2HH2 ARG 123 2HH2 ARG 123 12.901 -30.504 3.990 923 H ALA 124 H ALA 124 13.362 -21.503 6.547 924 HA ALA 124 HA ALA 124 15.942 -21.194 7.663 925 1HB ALA 124 1HB ALA 124 15.721 -18.796 6.987 926 2HB ALA 124 2HB ALA 124 14.012 -19.085 6.656 927 3HB ALA 124 3HB ALA 124 15.246 -19.920 5.714 928 H THR 125 H THR 125 12.813 -20.380 9.064 929 HA THR 125 HA THR 125 13.730 -18.508 11.032 930 HB THR 125 HB THR 125 11.637 -19.008 12.224 931 HG1 THR 125 HG1 THR 125 10.790 -20.897 12.022 932 1HG2 THR 125 1HG2 THR 125 11.304 -17.508 10.429 933 2HG2 THR 125 2HG2 THR 125 10.063 -18.740 10.194 934 3HG2 THR 125 3HG2 THR 125 11.531 -18.770 9.217 935 H GLY 126 H GLY 126 13.844 -22.022 10.916 936 1HA GLY 126 1HA GLY 126 15.215 -21.980 13.573 937 2HA GLY 126 2HA GLY 126 15.545 -23.153 12.298 938 H GLU 127 H GLU 127 12.207 -22.355 12.739 939 HA GLU 127 HA GLU 127 11.454 -24.091 14.834 940 1HB GLU 127 1HB GLU 127 10.069 -22.321 13.598 941 2HB GLU 127 2HB GLU 127 9.250 -23.814 14.010 942 1HG GLU 127 1HG GLU 127 9.566 -24.664 11.737 943 2HG GLU 127 2HG GLU 127 10.501 -23.231 11.312 944 H HIS 128 H HIS 128 10.717 -26.272 14.812 945 HA HIS 128 HA HIS 128 11.876 -27.916 12.637 946 1HB HIS 128 1HB HIS 128 10.516 -28.855 15.182 947 2HB HIS 128 2HB HIS 128 12.233 -28.472 15.085 948 HD1 HIS 128 HD1 HIS 128 10.110 -31.291 14.919 949 HD2 HIS 128 HD2 HIS 128 13.370 -30.048 12.637 950 HE1 HIS 128 HE1 HIS 128 10.976 -33.349 13.726 951 H VAL 129 H VAL 129 10.197 -27.076 11.116 952 HA VAL 129 HA VAL 129 7.502 -28.281 11.538 953 HB VAL 129 HB VAL 129 7.514 -25.888 11.026 954 1HG1 VAL 129 1HG1 VAL 129 8.235 -25.278 8.609 955 2HG1 VAL 129 2HG1 VAL 129 9.155 -26.781 8.663 956 3HG1 VAL 129 3HG1 VAL 129 9.500 -25.494 9.818 957 1HG2 VAL 129 1HG2 VAL 129 6.581 -27.415 8.588 958 2HG2 VAL 129 2HG2 VAL 129 5.927 -25.903 9.214 959 3HG2 VAL 129 3HG2 VAL 129 5.708 -27.400 10.119 960 H ILE 130 H ILE 130 6.521 -29.413 9.736 961 HA ILE 130 HA ILE 130 8.541 -30.877 8.102 962 HB ILE 130 HB ILE 130 6.099 -32.216 7.811 963 1HG1 ILE 130 1HG1 ILE 130 6.391 -31.097 10.595 964 2HG1 ILE 130 2HG1 ILE 130 5.693 -32.695 10.352 965 1HG2 ILE 130 1HG2 ILE 130 8.469 -32.702 9.634 966 2HG2 ILE 130 2HG2 ILE 130 8.253 -33.295 7.987 967 3HG2 ILE 130 3HG2 ILE 130 7.231 -33.909 9.287 968 1HD1 ILE 130 1HD1 ILE 130 4.018 -30.798 10.407 969 2HD1 ILE 130 2HD1 ILE 130 3.948 -31.812 8.966 970 3HD1 ILE 130 3HD1 ILE 130 4.725 -30.231 8.896 971 H GLU 131 H GLU 131 8.146 -31.213 5.864 972 HA GLU 131 HA GLU 131 6.839 -29.028 4.505 973 1HB GLU 131 1HB GLU 131 7.426 -30.237 2.458 974 2HB GLU 131 2HB GLU 131 7.764 -31.695 3.383 975 1HG GLU 131 1HG GLU 131 9.906 -30.800 3.114 976 2HG GLU 131 2HG GLU 131 9.443 -30.139 4.680 977 H GLU 132 H GLU 132 5.842 -32.202 5.572 978 HA GLU 132 HA GLU 132 3.589 -32.608 3.874 979 1HB GLU 132 1HB GLU 132 2.702 -33.969 5.818 980 2HB GLU 132 2HB GLU 132 4.095 -33.427 6.752 981 1HG GLU 132 1HG GLU 132 5.594 -34.662 5.482 982 2HG GLU 132 2HG GLU 132 4.571 -34.625 4.046 983 H ASP 133 H ASP 133 4.000 -30.726 6.885 984 HA ASP 133 HA ASP 133 1.144 -29.966 6.894 985 1HB ASP 133 1HB ASP 133 3.422 -28.848 8.556 986 2HB ASP 133 2HB ASP 133 2.436 -30.236 9.017 987 H ILE 134 H ILE 134 4.267 -28.444 6.099 988 HA ILE 134 HA ILE 134 3.306 -25.805 5.619 989 HB ILE 134 HB ILE 134 5.604 -27.315 4.330 990 1HG1 ILE 134 1HG1 ILE 134 5.438 -26.750 6.910 991 2HG1 ILE 134 2HG1 ILE 134 5.854 -25.125 6.371 992 1HG2 ILE 134 1HG2 ILE 134 6.439 -24.934 3.885 993 2HG2 ILE 134 2HG2 ILE 134 4.789 -24.404 4.213 994 3HG2 ILE 134 3HG2 ILE 134 5.113 -25.493 2.864 995 1HD1 ILE 134 1HD1 ILE 134 7.985 -25.724 5.793 996 2HD1 ILE 134 2HD1 ILE 134 7.486 -27.314 5.218 997 3HD1 ILE 134 3HD1 ILE 134 7.704 -27.031 6.943 998 H GLU 135 H GLU 135 3.596 -28.600 3.411 999 HA GLU 135 HA GLU 135 2.637 -27.252 1.067 1000 1HB GLU 135 1HB GLU 135 2.214 -30.187 1.646 1001 2HB GLU 135 2HB GLU 135 3.804 -29.545 1.247 1002 1HG GLU 135 1HG GLU 135 3.277 -29.465 -0.945 1003 2HG GLU 135 2HG GLU 135 1.820 -28.532 -0.606 1004 H ASP 136 H ASP 136 0.930 -29.337 3.429 1005 HA ASP 136 HA ASP 136 -1.665 -29.066 2.279 1006 1HB ASP 136 1HB ASP 136 -1.506 -29.319 5.229 1007 2HB ASP 136 2HB ASP 136 -0.654 -30.555 4.303 1008 H LEU 137 H LEU 137 0.177 -26.897 4.336 1009 HA LEU 137 HA LEU 137 -2.058 -25.329 5.273 1010 1HB LEU 137 1HB LEU 137 0.785 -24.359 4.893 1011 2HB LEU 137 2HB LEU 137 0.301 -25.380 6.246 1012 HG LEU 137 HG LEU 137 -1.120 -22.789 5.600 1013 1HD1 LEU 137 1HD1 LEU 137 -0.966 -24.647 7.986 1014 2HD1 LEU 137 2HD1 LEU 137 -2.396 -24.184 7.060 1015 3HD1 LEU 137 3HD1 LEU 137 -1.604 -23.007 8.107 1016 1HD2 LEU 137 1HD2 LEU 137 0.287 -21.728 7.318 1017 2HD2 LEU 137 2HD2 LEU 137 1.287 -22.335 6.000 1018 3HD2 LEU 137 3HD2 LEU 137 1.193 -23.228 7.519 1019 H MET 138 H MET 138 0.213 -24.946 2.530 1020 HA MET 138 HA MET 138 -0.966 -22.482 1.589 1021 1HB MET 138 1HB MET 138 0.505 -24.432 -0.180 1022 2HB MET 138 2HB MET 138 1.362 -23.496 1.044 1023 1HG MET 138 1HG MET 138 1.252 -21.612 -0.202 1024 2HG MET 138 2HG MET 138 -0.468 -21.838 -0.517 1025 1HE MET 138 1HE MET 138 1.327 -21.155 -3.842 1026 2HE MET 138 2HE MET 138 2.660 -21.329 -2.706 1027 3HE MET 138 3HE MET 138 1.198 -20.482 -2.212 1028 H LYS 139 H LYS 139 -1.345 -25.893 0.565 1029 HA LYS 139 HA LYS 139 -3.229 -25.346 -1.530 1030 1HB LYS 139 1HB LYS 139 -2.032 -27.472 -1.443 1031 2HB LYS 139 2HB LYS 139 -3.768 -27.770 -1.388 1032 1HG LYS 139 1HG LYS 139 -2.617 -27.393 1.276 1033 2HG LYS 139 2HG LYS 139 -1.884 -28.748 0.421 1034 1HD LYS 139 1HD LYS 139 -4.815 -28.612 0.143 1035 2HD LYS 139 2HD LYS 139 -4.271 -28.848 1.804 1036 1HE LYS 139 1HE LYS 139 -2.771 -30.706 0.922 1037 2HE LYS 139 2HE LYS 139 -3.625 -30.555 -0.613 1038 1HZ LYS 139 1HZ LYS 139 -5.708 -30.976 0.567 1039 2HZ LYS 139 2HZ LYS 139 -4.852 -31.174 2.020 1040 3HZ LYS 139 3HZ LYS 139 -4.622 -32.267 0.741 1041 H ASP 140 H ASP 140 -3.626 -25.718 1.944 1042 HA ASP 140 HA ASP 140 -6.541 -26.009 1.764 1043 1HB ASP 140 1HB ASP 140 -4.932 -25.328 4.235 1044 2HB ASP 140 2HB ASP 140 -5.066 -26.974 3.619 1045 H SER 141 H SER 141 -4.204 -23.406 2.231 1046 HA SER 141 HA SER 141 -6.233 -21.456 3.037 1047 1HB SER 141 1HB SER 141 -4.317 -19.821 2.672 1048 2HB SER 141 2HB SER 141 -3.320 -21.208 2.249 1049 HG SER 141 HG SER 141 -3.220 -21.767 4.264 1050 H ASP 142 H ASP 142 -4.744 -22.519 0.021 1051 HA ASP 142 HA ASP 142 -5.671 -20.220 -1.524 1052 1HB ASP 142 1HB ASP 142 -5.142 -22.740 -2.974 1053 2HB ASP 142 2HB ASP 142 -3.804 -22.180 -1.972 1054 H LYS 143 H LYS 143 -7.606 -20.021 -2.628 1055 HA LYS 143 HA LYS 143 -9.777 -21.829 -1.951 1056 1HB LYS 143 1HB LYS 143 -11.113 -20.393 -3.508 1057 2HB LYS 143 2HB LYS 143 -9.632 -19.540 -3.940 1058 1HG LYS 143 1HG LYS 143 -9.746 -19.603 -1.100 1059 2HG LYS 143 2HG LYS 143 -11.348 -19.131 -1.662 1060 1HD LYS 143 1HD LYS 143 -9.023 -17.843 -3.008 1061 2HD LYS 143 2HD LYS 143 -9.345 -17.355 -1.345 1062 1HE LYS 143 1HE LYS 143 -10.666 -15.859 -2.582 1063 2HE LYS 143 2HE LYS 143 -11.819 -17.120 -2.158 1064 1HZ LYS 143 1HZ LYS 143 -11.687 -18.051 -4.285 1065 2HZ LYS 143 2HZ LYS 143 -10.277 -17.189 -4.684 1066 3HZ LYS 143 3HZ LYS 143 -11.766 -16.380 -4.562 1067 H ASN 144 H ASN 144 -8.283 -20.969 -5.102 1068 HA ASN 144 HA ASN 144 -9.400 -23.466 -6.258 1069 1HB ASN 144 1HB ASN 144 -8.527 -22.521 -8.419 1070 2HB ASN 144 2HB ASN 144 -7.978 -21.104 -7.527 1071 1HD2 ASN 144 1HD2 ASN 144 -10.805 -22.733 -8.827 1072 2HD2 ASN 144 2HD2 ASN 144 -11.918 -21.522 -8.417 1073 H ASN 145 H ASN 145 -6.356 -22.050 -5.236 1074 HA ASN 145 HA ASN 145 -4.231 -22.956 -5.008 1075 1HB ASN 145 1HB ASN 145 -5.281 -25.693 -5.660 1076 2HB ASN 145 2HB ASN 145 -5.764 -24.913 -4.155 1077 1HD2 ASN 145 1HD2 ASN 145 -3.616 -27.135 -5.134 1078 2HD2 ASN 145 2HD2 ASN 145 -2.284 -26.760 -4.154 1079 H ASP 146 H ASP 146 -3.235 -22.058 -6.808 1080 HA ASP 146 HA ASP 146 -3.371 -23.590 -9.367 1081 1HB ASP 146 1HB ASP 146 -2.102 -20.874 -8.975 1082 2HB ASP 146 2HB ASP 146 -3.833 -21.053 -9.257 1083 H GLY 147 H GLY 147 -1.152 -22.314 -6.917 1084 1HA GLY 147 1HA GLY 147 1.165 -23.574 -8.276 1085 2HA GLY 147 2HA GLY 147 0.744 -24.152 -6.661 1086 NH1 ARG 148 NH1 ARG 148 1.736 -20.837 -11.789 1087 NH2 ARG 148 NH2 ARG 148 3.750 -21.593 -12.507 1088 H ARG 148 H ARG 148 0.673 -20.843 -8.016 1089 HA ARG 148 HA ARG 148 2.695 -20.047 -5.967 1090 1HB ARG 148 1HB ARG 148 3.020 -18.071 -7.564 1091 2HB ARG 148 2HB ARG 148 2.068 -18.992 -8.727 1092 1HG ARG 148 1HG ARG 148 4.347 -20.358 -7.355 1093 2HG ARG 148 2HG ARG 148 4.707 -19.211 -8.637 1094 1HD ARG 148 1HD ARG 148 2.622 -21.324 -9.085 1095 2HD ARG 148 2HD ARG 148 4.329 -21.729 -9.253 1096 HE ARG 148 HE ARG 148 4.068 -19.450 -10.789 1097 1HH1 ARG 148 1HH1 ARG 148 1.287 -21.298 -12.553 1098 2HH1 ARG 148 2HH1 ARG 148 1.191 -20.316 -11.131 1099 1HH2 ARG 148 1HH2 ARG 148 4.744 -21.650 -12.398 1100 2HH2 ARG 148 2HH2 ARG 148 3.306 -22.056 -13.274 1101 H ILE 149 H ILE 149 2.449 -17.662 -5.363 1102 HA ILE 149 HA ILE 149 -0.450 -17.032 -4.938 1103 HB ILE 149 HB ILE 149 1.954 -16.166 -3.292 1104 1HG1 ILE 149 1HG1 ILE 149 0.973 -17.672 -1.554 1105 2HG1 ILE 149 2HG1 ILE 149 1.520 -18.549 -2.981 1106 1HG2 ILE 149 1HG2 ILE 149 -1.020 -15.681 -3.038 1107 2HG2 ILE 149 2HG2 ILE 149 0.275 -14.486 -3.104 1108 3HG2 ILE 149 3HG2 ILE 149 0.082 -15.500 -1.675 1109 1HD1 ILE 149 1HD1 ILE 149 -0.935 -18.892 -1.872 1110 2HD1 ILE 149 2HD1 ILE 149 -0.606 -19.150 -3.584 1111 3HD1 ILE 149 3HD1 ILE 149 -1.303 -17.624 -3.042 1112 H ASP 150 H ASP 150 -1.177 -15.078 -5.731 1113 HA ASP 150 HA ASP 150 0.883 -13.287 -6.957 1114 1HB ASP 150 1HB ASP 150 -0.452 -13.964 -8.754 1115 2HB ASP 150 2HB ASP 150 -1.204 -12.445 -8.285 1116 H PHE 151 H PHE 151 0.018 -10.948 -7.136 1117 HA PHE 151 HA PHE 151 -0.373 -9.924 -4.486 1118 1HB PHE 151 1HB PHE 151 -0.908 -8.487 -7.103 1119 2HB PHE 151 2HB PHE 151 0.693 -8.668 -6.384 1120 HD1 PHE 151 HD1 PHE 151 0.872 -7.932 -3.838 1121 HD2 PHE 151 HD2 PHE 151 -2.177 -6.609 -6.560 1122 HE1 PHE 151 HE1 PHE 151 0.439 -5.962 -2.396 1123 HE2 PHE 151 HE2 PHE 151 -2.610 -4.641 -5.118 1124 HZ PHE 151 HZ PHE 151 -1.302 -4.316 -3.037 1125 H ASP 152 H ASP 152 -2.634 -10.895 -6.989 1126 HA ASP 152 HA ASP 152 -4.952 -9.470 -6.138 1127 1HB ASP 152 1HB ASP 152 -6.242 -11.175 -7.291 1128 2HB ASP 152 2HB ASP 152 -4.894 -12.295 -7.238 1129 H GLU 153 H GLU 153 -4.065 -12.854 -5.363 1130 HA GLU 153 HA GLU 153 -5.990 -13.093 -3.226 1131 1HB GLU 153 1HB GLU 153 -4.369 -15.068 -2.588 1132 2HB GLU 153 2HB GLU 153 -3.615 -14.700 -4.137 1133 1HG GLU 153 1HG GLU 153 -6.590 -14.919 -4.093 1134 2HG GLU 153 2HG GLU 153 -5.674 -16.416 -3.915 1135 H PHE 154 H PHE 154 -2.667 -11.929 -3.372 1136 HA PHE 154 HA PHE 154 -1.941 -12.111 -0.641 1137 1HB PHE 154 1HB PHE 154 -1.237 -9.777 -2.437 1138 2HB PHE 154 2HB PHE 154 -0.485 -11.364 -2.603 1139 HD1 PHE 154 HD1 PHE 154 -0.593 -8.277 -0.690 1140 HD2 PHE 154 HD2 PHE 154 0.764 -12.351 -0.647 1141 HE1 PHE 154 HE1 PHE 154 0.964 -7.742 1.164 1142 HE2 PHE 154 HE2 PHE 154 2.322 -11.815 1.204 1143 HZ PHE 154 HZ PHE 154 2.421 -9.511 2.110 1144 H LEU 155 H LEU 155 -4.110 -9.850 -2.267 1145 HA LEU 155 HA LEU 155 -4.238 -7.786 -0.330 1146 1HB LEU 155 1HB LEU 155 -6.533 -7.373 -1.200 1147 2HB LEU 155 2HB LEU 155 -6.463 -8.908 -2.063 1148 HG LEU 155 HG LEU 155 -4.281 -7.970 -3.108 1149 1HD1 LEU 155 1HD1 LEU 155 -6.770 -6.482 -3.929 1150 2HD1 LEU 155 2HD1 LEU 155 -6.652 -8.229 -4.139 1151 3HD1 LEU 155 3HD1 LEU 155 -5.505 -7.163 -4.952 1152 1HD2 LEU 155 1HD2 LEU 155 -4.026 -5.590 -3.140 1153 2HD2 LEU 155 2HD2 LEU 155 -4.273 -6.021 -1.449 1154 3HD2 LEU 155 3HD2 LEU 155 -5.602 -5.343 -2.389 1155 H LYS 156 H LYS 156 -6.482 -10.573 -0.642 1156 HA LYS 156 HA LYS 156 -7.617 -10.153 1.995 1157 1HB LYS 156 1HB LYS 156 -7.671 -12.725 0.398 1158 2HB LYS 156 2HB LYS 156 -8.729 -11.360 0.045 1159 1HG LYS 156 1HG LYS 156 -9.075 -11.623 2.753 1160 2HG LYS 156 2HG LYS 156 -8.829 -13.301 2.272 1161 1HD LYS 156 1HD LYS 156 -10.716 -11.548 0.713 1162 2HD LYS 156 2HD LYS 156 -11.250 -12.300 2.216 1163 1HE LYS 156 1HE LYS 156 -11.699 -14.145 0.988 1164 2HE LYS 156 2HE LYS 156 -9.956 -14.363 0.848 1165 1HZ LYS 156 1HZ LYS 156 -9.970 -13.023 -1.152 1166 2HZ LYS 156 2HZ LYS 156 -11.646 -12.775 -1.010 1167 3HZ LYS 156 3HZ LYS 156 -11.038 -14.330 -1.317 1168 H MET 157 H MET 157 -4.874 -11.949 0.754 1169 HA MET 157 HA MET 157 -4.481 -13.785 2.900 1170 1HB MET 157 1HB MET 157 -1.957 -12.811 1.890 1171 2HB MET 157 2HB MET 157 -3.091 -13.015 0.556 1172 1HG MET 157 1HG MET 157 -3.292 -15.298 0.895 1173 2HG MET 157 2HG MET 157 -2.927 -15.179 2.617 1174 1HE MET 157 1HE MET 157 0.232 -15.732 3.326 1175 2HE MET 157 2HE MET 157 -1.096 -14.609 3.607 1176 3HE MET 157 3HE MET 157 0.405 -14.026 2.890 1177 H MET 158 H MET 158 -3.373 -10.415 2.483 1178 HA MET 158 HA MET 158 -2.449 -10.459 5.321 1179 1HB MET 158 1HB MET 158 -1.739 -8.233 3.441 1180 2HB MET 158 2HB MET 158 -0.915 -9.781 3.258 1181 1HG MET 158 1HG MET 158 -0.402 -9.681 5.741 1182 2HG MET 158 2HG MET 158 -1.010 -8.026 5.727 1183 1HE MET 158 1HE MET 158 2.896 -7.872 6.025 1184 2HE MET 158 2HE MET 158 2.207 -9.483 6.207 1185 3HE MET 158 3HE MET 158 1.375 -8.094 6.901 1186 H GLU 159 H GLU 159 -5.165 -10.299 4.953 1187 HA GLU 159 HA GLU 159 -6.165 -7.594 4.729 1188 1HB GLU 159 1HB GLU 159 -7.610 -9.716 6.288 1189 2HB GLU 159 2HB GLU 159 -7.401 -9.924 4.550 1190 1HG GLU 159 1HG GLU 159 -8.699 -8.051 4.038 1191 2HG GLU 159 2HG GLU 159 -8.417 -7.301 5.610 1192 H GLY 160 H GLY 160 -4.583 -9.320 7.278 1193 1HA GLY 160 1HA GLY 160 -4.362 -8.878 9.587 1194 2HA GLY 160 2HA GLY 160 -5.741 -7.783 9.476 1195 H VAL 161 H VAL 161 -5.338 -5.609 8.657 1196 HA VAL 161 HA VAL 161 -2.477 -4.770 8.638 1197 HB VAL 161 HB VAL 161 -4.904 -3.187 7.739 1198 1HG1 VAL 161 1HG1 VAL 161 -1.914 -2.866 7.485 1199 2HG1 VAL 161 2HG1 VAL 161 -3.097 -1.701 8.080 1200 3HG1 VAL 161 3HG1 VAL 161 -3.017 -2.076 6.359 1201 1HG2 VAL 161 1HG2 VAL 161 -4.854 -5.094 6.312 1202 2HG2 VAL 161 2HG2 VAL 161 -3.092 -5.099 6.251 1203 3HG2 VAL 161 3HG2 VAL 161 -4.000 -3.836 5.420 1204 H GLN 162 H GLN 162 -2.963 -5.208 11.132 1205 HA GLN 162 HA GLN 162 -4.282 -2.914 12.446 1206 1HB GLN 162 1HB GLN 162 -2.787 -5.171 13.800 1207 2HB GLN 162 2HB GLN 162 -4.466 -5.324 13.280 1208 1HG GLN 162 1HG GLN 162 -5.227 -4.018 14.982 1209 2HG GLN 162 2HG GLN 162 -3.906 -2.864 14.805 1210 1HE2 GLN 162 1HE2 GLN 162 -5.078 -5.498 16.713 1211 2HE2 GLN 162 2HE2 GLN 162 -3.695 -5.701 17.675 Start of MODEL 4 Raw file had 1211 H/Q atoms Start of MODEL 4 1 1H ALA 1 1H ALA 1 -30.472 19.425 11.282 2 2H ALA 1 2H ALA 1 -30.591 18.200 10.110 3 3H ALA 1 3H ALA 1 -29.405 19.407 9.965 4 HA ALA 1 HA ALA 1 -28.284 18.614 11.939 5 1HB ALA 1 1HB ALA 1 -29.115 16.351 12.820 6 2HB ALA 1 2HB ALA 1 -30.616 16.689 11.958 7 3HB ALA 1 3HB ALA 1 -30.079 17.761 13.251 8 H SER 2 H SER 2 -26.479 17.442 11.375 9 HA SER 2 HA SER 2 -26.737 15.570 9.049 10 1HB SER 2 1HB SER 2 -24.264 17.184 9.711 11 2HB SER 2 2HB SER 2 -25.520 17.791 8.638 12 HG SER 2 HG SER 2 -23.658 16.512 7.728 13 H MET 3 H MET 3 -26.706 13.599 10.081 14 HA MET 3 HA MET 3 -25.025 13.062 12.392 15 1HB MET 3 1HB MET 3 -27.159 11.852 11.996 16 2HB MET 3 2HB MET 3 -25.799 10.747 12.169 17 1HG MET 3 1HG MET 3 -25.781 10.205 9.894 18 2HG MET 3 2HG MET 3 -26.594 11.699 9.430 19 1HE MET 3 1HE MET 3 -29.682 10.123 8.383 20 2HE MET 3 2HE MET 3 -28.046 10.534 7.877 21 3HE MET 3 3HE MET 3 -29.020 11.724 8.737 22 H THR 4 H THR 4 -24.728 12.576 8.901 23 HA THR 4 HA THR 4 -23.012 11.616 7.602 24 HB THR 4 HB THR 4 -20.691 12.544 8.474 25 HG1 THR 4 HG1 THR 4 -20.822 13.837 10.114 26 1HG2 THR 4 1HG2 THR 4 -21.216 14.676 7.384 27 2HG2 THR 4 2HG2 THR 4 -22.941 14.349 7.550 28 3HG2 THR 4 3HG2 THR 4 -21.948 13.337 6.500 29 H ASP 5 H ASP 5 -23.509 9.420 8.404 30 HA ASP 5 HA ASP 5 -21.536 8.347 10.359 31 1HB ASP 5 1HB ASP 5 -22.983 6.203 9.921 32 2HB ASP 5 2HB ASP 5 -24.133 7.336 9.210 33 H GLN 6 H GLN 6 -22.808 7.627 7.091 34 HA GLN 6 HA GLN 6 -20.703 5.746 6.451 35 1HB GLN 6 1HB GLN 6 -21.534 6.138 4.066 36 2HB GLN 6 2HB GLN 6 -22.704 7.263 4.755 37 1HG GLN 6 1HG GLN 6 -22.470 4.496 5.907 38 2HG GLN 6 2HG GLN 6 -23.358 4.728 4.401 39 1HE2 GLN 6 1HE2 GLN 6 -24.832 6.967 4.683 40 2HE2 GLN 6 2HE2 GLN 6 -25.793 6.938 6.081 41 H GLN 7 H GLN 7 -21.218 9.215 5.791 42 HA GLN 7 HA GLN 7 -18.835 9.523 4.183 43 1HB GLN 7 1HB GLN 7 -19.947 11.821 5.748 44 2HB GLN 7 2HB GLN 7 -20.962 11.093 4.502 45 1HG GLN 7 1HG GLN 7 -18.789 11.291 3.025 46 2HG GLN 7 2HG GLN 7 -18.321 12.504 4.216 47 1HE2 GLN 7 1HE2 GLN 7 -21.071 11.649 2.037 48 2HE2 GLN 7 2HE2 GLN 7 -21.558 13.255 1.783 49 H ALA 8 H ALA 8 -19.541 9.996 7.657 50 HA ALA 8 HA ALA 8 -16.942 11.052 8.326 51 1HB ALA 8 1HB ALA 8 -18.950 9.561 10.040 52 2HB ALA 8 2HB ALA 8 -18.832 11.311 9.848 53 3HB ALA 8 3HB ALA 8 -17.542 10.424 10.659 54 H GLU 9 H GLU 9 -17.869 7.890 7.383 55 HA GLU 9 HA GLU 9 -15.578 6.637 8.810 56 1HB GLU 9 1HB GLU 9 -16.570 4.512 7.733 57 2HB GLU 9 2HB GLU 9 -17.955 5.518 7.306 58 1HG GLU 9 1HG GLU 9 -18.199 6.127 9.717 59 2HG GLU 9 2HG GLU 9 -16.878 5.026 10.102 60 H ALA 10 H ALA 10 -16.942 7.016 5.526 61 HA ALA 10 HA ALA 10 -14.671 5.894 4.160 62 1HB ALA 10 1HB ALA 10 -15.598 7.115 2.168 63 2HB ALA 10 2HB ALA 10 -16.785 7.865 3.235 64 3HB ALA 10 3HB ALA 10 -16.794 6.118 2.994 65 NH1 ARG 11 NH1 ARG 11 -12.683 15.372 2.454 66 NH2 ARG 11 NH2 ARG 11 -13.180 16.627 4.277 67 H ARG 11 H ARG 11 -15.325 9.019 5.592 68 HA ARG 11 HA ARG 11 -13.317 10.527 4.157 69 1HB ARG 11 1HB ARG 11 -13.487 11.744 6.626 70 2HB ARG 11 2HB ARG 11 -15.047 10.932 6.513 71 1HG ARG 11 1HG ARG 11 -15.616 12.841 5.374 72 2HG ARG 11 2HG ARG 11 -14.898 11.972 4.018 73 1HD ARG 11 1HD ARG 11 -12.748 13.077 4.416 74 2HD ARG 11 2HD ARG 11 -13.403 13.887 5.838 75 HE ARG 11 HE ARG 11 -15.097 14.629 3.745 76 1HH1 ARG 11 1HH1 ARG 11 -12.058 16.084 2.132 77 2HH1 ARG 11 2HH1 ARG 11 -12.805 14.536 1.919 78 1HH2 ARG 11 1HH2 ARG 11 -13.682 16.749 5.134 79 2HH2 ARG 11 2HH2 ARG 11 -12.557 17.342 3.959 80 H ALA 12 H ALA 12 -13.321 8.763 7.265 81 HA ALA 12 HA ALA 12 -10.539 9.315 7.853 82 1HB ALA 12 1HB ALA 12 -10.798 7.485 9.529 83 2HB ALA 12 2HB ALA 12 -12.390 7.130 8.859 84 3HB ALA 12 3HB ALA 12 -12.088 8.684 9.638 85 H PHE 13 H PHE 13 -12.181 6.984 5.828 86 HA PHE 13 HA PHE 13 -10.087 5.000 5.751 87 1HB PHE 13 1HB PHE 13 -11.957 5.505 3.448 88 2HB PHE 13 2HB PHE 13 -12.579 4.851 4.962 89 HD1 PHE 13 HD1 PHE 13 -11.579 2.713 5.887 90 HD2 PHE 13 HD2 PHE 13 -10.719 4.146 1.928 91 HE1 PHE 13 HE1 PHE 13 -10.755 0.463 5.249 92 HE2 PHE 13 HE2 PHE 13 -9.897 1.895 1.293 93 HZ PHE 13 HZ PHE 13 -9.913 0.054 2.953 94 H LEU 14 H LEU 14 -10.925 7.685 3.515 95 HA LEU 14 HA LEU 14 -8.139 7.463 2.438 96 1HB LEU 14 1HB LEU 14 -9.527 6.935 0.599 97 2HB LEU 14 2HB LEU 14 -9.151 8.644 0.375 98 HG LEU 14 HG LEU 14 -11.415 8.775 1.933 99 1HD1 LEU 14 1HD1 LEU 14 -12.040 8.581 -0.920 100 2HD1 LEU 14 2HD1 LEU 14 -10.598 9.546 -0.606 101 3HD1 LEU 14 3HD1 LEU 14 -12.130 9.975 0.156 102 1HD2 LEU 14 1HD2 LEU 14 -13.010 7.166 1.173 103 2HD2 LEU 14 2HD2 LEU 14 -11.576 6.235 1.605 104 3HD2 LEU 14 3HD2 LEU 14 -11.925 6.580 -0.088 105 H SER 15 H SER 15 -6.877 9.183 2.854 106 HA SER 15 HA SER 15 -8.028 11.604 4.051 107 1HB SER 15 1HB SER 15 -5.642 12.323 4.218 108 2HB SER 15 2HB SER 15 -5.168 10.868 3.347 109 HG SER 15 HG SER 15 -5.495 9.703 5.059 110 H GLU 16 H GLU 16 -6.752 13.734 3.113 111 HA GLU 16 HA GLU 16 -7.954 14.308 0.599 112 1HB GLU 16 1HB GLU 16 -7.339 16.099 2.139 113 2HB GLU 16 2HB GLU 16 -6.524 16.351 0.598 114 1HG GLU 16 1HG GLU 16 -4.583 16.457 1.747 115 2HG GLU 16 2HG GLU 16 -4.767 14.737 2.087 116 H GLU 17 H GLU 17 -4.865 12.815 1.329 117 HA GLU 17 HA GLU 17 -3.598 13.316 -1.212 118 1HB GLU 17 1HB GLU 17 -2.929 10.760 0.095 119 2HB GLU 17 2HB GLU 17 -2.808 12.158 1.164 120 1HG GLU 17 1HG GLU 17 -1.041 13.044 0.014 121 2HG GLU 17 2HG GLU 17 -1.669 12.525 -1.551 122 H MET 18 H MET 18 -5.481 10.543 0.050 123 HA MET 18 HA MET 18 -5.461 9.086 -2.450 124 1HB MET 18 1HB MET 18 -7.797 8.496 -0.878 125 2HB MET 18 2HB MET 18 -6.408 8.652 0.192 126 1HG MET 18 1HG MET 18 -5.149 7.058 -1.228 127 2HG MET 18 2HG MET 18 -6.560 6.887 -2.273 128 1HE MET 18 1HE MET 18 -4.578 5.616 0.417 129 2HE MET 18 2HE MET 18 -5.614 4.909 1.655 130 3HE MET 18 3HE MET 18 -5.442 6.660 1.555 131 H ILE 19 H ILE 19 -7.843 11.177 -0.841 132 HA ILE 19 HA ILE 19 -9.953 11.084 -2.688 133 HB ILE 19 HB ILE 19 -8.918 13.429 -1.064 134 1HG1 ILE 19 1HG1 ILE 19 -9.803 11.247 0.028 135 2HG1 ILE 19 2HG1 ILE 19 -11.382 11.753 -0.570 136 1HG2 ILE 19 1HG2 ILE 19 -10.245 14.432 -2.760 137 2HG2 ILE 19 2HG2 ILE 19 -11.343 14.238 -1.393 138 3HG2 ILE 19 3HG2 ILE 19 -11.409 13.107 -2.744 139 1HD1 ILE 19 1HD1 ILE 19 -11.356 12.722 1.555 140 2HD1 ILE 19 2HD1 ILE 19 -10.750 14.047 0.562 141 3HD1 ILE 19 3HD1 ILE 19 -9.626 13.056 1.492 142 H ALA 20 H ALA 20 -6.930 12.960 -2.895 143 HA ALA 20 HA ALA 20 -7.609 14.569 -5.148 144 1HB ALA 20 1HB ALA 20 -4.871 13.441 -4.504 145 2HB ALA 20 2HB ALA 20 -5.570 14.848 -3.700 146 3HB ALA 20 3HB ALA 20 -5.229 14.899 -5.429 147 H GLU 21 H GLU 21 -6.034 11.351 -5.002 148 HA GLU 21 HA GLU 21 -5.770 11.026 -7.842 149 1HB GLU 21 1HB GLU 21 -5.951 8.469 -7.040 150 2HB GLU 21 2HB GLU 21 -5.699 9.217 -5.464 151 1HG GLU 21 1HG GLU 21 -3.565 9.935 -5.999 152 2HG GLU 21 2HG GLU 21 -3.928 10.075 -7.719 153 H PHE 22 H PHE 22 -8.389 10.241 -5.569 154 HA PHE 22 HA PHE 22 -10.044 8.870 -7.498 155 1HB PHE 22 1HB PHE 22 -11.837 9.117 -5.866 156 2HB PHE 22 2HB PHE 22 -10.940 10.369 -5.014 157 HD1 PHE 22 HD1 PHE 22 -10.697 9.311 -2.875 158 HD2 PHE 22 HD2 PHE 22 -9.487 7.248 -6.446 159 HE1 PHE 22 HE1 PHE 22 -9.594 7.571 -1.501 160 HE2 PHE 22 HE2 PHE 22 -8.384 5.512 -5.067 161 HZ PHE 22 HZ PHE 22 -8.437 5.672 -2.595 162 H LYS 23 H LYS 23 -9.511 12.254 -6.694 163 HA LYS 23 HA LYS 23 -11.855 13.345 -7.941 164 1HB LYS 23 1HB LYS 23 -9.170 14.723 -7.804 165 2HB LYS 23 2HB LYS 23 -10.183 14.516 -6.377 166 1HG LYS 23 1HG LYS 23 -11.753 16.025 -7.108 167 2HG LYS 23 2HG LYS 23 -11.512 15.614 -8.806 168 1HD LYS 23 1HD LYS 23 -9.435 17.100 -7.182 169 2HD LYS 23 2HD LYS 23 -10.700 17.932 -8.085 170 1HE LYS 23 1HE LYS 23 -9.870 16.419 -10.076 171 2HE LYS 23 2HE LYS 23 -8.399 16.292 -9.113 172 1HZ LYS 23 1HZ LYS 23 -9.682 18.804 -10.042 173 2HZ LYS 23 2HZ LYS 23 -8.229 18.140 -10.617 174 3HZ LYS 23 3HZ LYS 23 -8.324 18.730 -9.028 175 H ALA 24 H ALA 24 -8.816 12.149 -9.257 176 HA ALA 24 HA ALA 24 -8.802 13.488 -11.758 177 1HB ALA 24 1HB ALA 24 -6.979 11.988 -10.841 178 2HB ALA 24 2HB ALA 24 -7.365 11.721 -12.541 179 3HB ALA 24 3HB ALA 24 -7.974 10.610 -11.315 180 H ALA 25 H ALA 25 -10.217 10.288 -10.985 181 HA ALA 25 HA ALA 25 -11.506 10.024 -13.564 182 1HB ALA 25 1HB ALA 25 -11.123 7.982 -12.459 183 2HB ALA 25 2HB ALA 25 -12.859 8.228 -12.267 184 3HB ALA 25 3HB ALA 25 -11.765 8.585 -10.930 185 H PHE 26 H PHE 26 -12.343 11.831 -10.751 186 HA PHE 26 HA PHE 26 -15.215 11.729 -11.003 187 1HB PHE 26 1HB PHE 26 -13.558 13.966 -9.810 188 2HB PHE 26 2HB PHE 26 -13.920 12.466 -8.959 189 HD1 PHE 26 HD1 PHE 26 -16.467 11.783 -8.884 190 HD2 PHE 26 HD2 PHE 26 -15.038 15.765 -9.636 191 HE1 PHE 26 HE1 PHE 26 -18.669 12.702 -8.209 192 HE2 PHE 26 HE2 PHE 26 -17.240 16.681 -8.962 193 HZ PHE 26 HZ PHE 26 -19.055 15.150 -8.248 194 H ASP 27 H ASP 27 -12.752 13.529 -12.734 195 HA ASP 27 HA ASP 27 -14.447 15.702 -13.574 196 1HB ASP 27 1HB ASP 27 -11.796 15.348 -13.655 197 2HB ASP 27 2HB ASP 27 -12.621 16.471 -14.732 198 H MET 28 H MET 28 -13.736 12.520 -15.043 199 HA MET 28 HA MET 28 -15.067 13.089 -17.528 200 1HB MET 28 1HB MET 28 -13.667 11.186 -17.582 201 2HB MET 28 2HB MET 28 -15.299 10.542 -17.671 202 1HG MET 28 1HG MET 28 -15.223 10.145 -15.201 203 2HG MET 28 2HG MET 28 -13.537 10.660 -15.211 204 1HE MET 28 1HE MET 28 -13.545 7.025 -14.459 205 2HE MET 28 2HE MET 28 -15.223 7.103 -14.990 206 3HE MET 28 3HE MET 28 -14.553 8.409 -14.016 207 H PHE 29 H PHE 29 -16.220 11.527 -14.538 208 HA PHE 29 HA PHE 29 -18.890 11.050 -15.443 209 1HB PHE 29 1HB PHE 29 -19.228 11.435 -12.768 210 2HB PHE 29 2HB PHE 29 -17.493 11.133 -12.830 211 HD1 PHE 29 HD1 PHE 29 -16.952 9.150 -14.710 212 HD2 PHE 29 HD2 PHE 29 -20.497 9.546 -12.317 213 HE1 PHE 29 HE1 PHE 29 -17.389 6.723 -14.956 214 HE2 PHE 29 HE2 PHE 29 -20.935 7.118 -12.565 215 HZ PHE 29 HZ PHE 29 -19.382 5.707 -13.884 216 H ASP 30 H ASP 30 -17.278 13.905 -14.254 217 HA ASP 30 HA ASP 30 -19.769 15.430 -13.920 218 1HB ASP 30 1HB ASP 30 -17.243 16.908 -14.009 219 2HB ASP 30 2HB ASP 30 -17.244 15.612 -12.820 220 H ALA 31 H ALA 31 -19.672 14.467 -16.473 221 HA ALA 31 HA ALA 31 -18.374 15.993 -18.467 222 1HB ALA 31 1HB ALA 31 -20.154 15.184 -19.988 223 2HB ALA 31 2HB ALA 31 -21.090 14.649 -18.591 224 3HB ALA 31 3HB ALA 31 -19.540 13.891 -18.957 225 H ASP 32 H ASP 32 -21.301 16.742 -16.625 226 HA ASP 32 HA ASP 32 -22.009 19.002 -18.363 227 1HB ASP 32 1HB ASP 32 -23.161 18.737 -15.622 228 2HB ASP 32 2HB ASP 32 -23.522 17.455 -16.778 229 H GLY 33 H GLY 33 -20.281 18.497 -15.313 230 1HA GLY 33 1HA GLY 33 -19.365 21.314 -15.439 231 2HA GLY 33 2HA GLY 33 -18.645 20.039 -14.456 232 H GLY 34 H GLY 34 -18.787 21.604 -12.644 233 1HA GLY 34 1HA GLY 34 -21.532 21.633 -11.450 234 2HA GLY 34 2HA GLY 34 -20.495 23.057 -11.376 235 H GLY 35 H GLY 35 -19.491 19.661 -10.956 236 1HA GLY 35 1HA GLY 35 -18.812 20.320 -8.115 237 2HA GLY 35 2HA GLY 35 -17.732 19.384 -9.143 238 H ASP 36 H ASP 36 -20.964 18.570 -9.824 239 HA ASP 36 HA ASP 36 -20.691 16.096 -8.182 240 1HB ASP 36 1HB ASP 36 -22.862 16.230 -7.309 241 2HB ASP 36 2HB ASP 36 -23.390 17.379 -8.531 242 H ILE 37 H ILE 37 -22.192 14.347 -9.007 243 HA ILE 37 HA ILE 37 -22.354 14.515 -11.987 244 HB ILE 37 HB ILE 37 -22.636 11.964 -10.404 245 1HG1 ILE 37 1HG1 ILE 37 -20.161 11.646 -10.685 246 2HG1 ILE 37 2HG1 ILE 37 -20.564 12.941 -9.560 247 1HG2 ILE 37 1HG2 ILE 37 -23.121 11.669 -12.697 248 2HG2 ILE 37 2HG2 ILE 37 -21.442 11.153 -12.548 249 3HG2 ILE 37 3HG2 ILE 37 -21.821 12.746 -13.202 250 1HD1 ILE 37 1HD1 ILE 37 -20.285 13.775 -12.389 251 2HD1 ILE 37 2HD1 ILE 37 -18.799 13.218 -11.621 252 3HD1 ILE 37 3HD1 ILE 37 -19.703 14.559 -10.921 253 H SER 38 H SER 38 -24.289 13.502 -13.005 254 HA SER 38 HA SER 38 -26.681 13.462 -11.211 255 1HB SER 38 1HB SER 38 -26.883 14.593 -13.990 256 2HB SER 38 2HB SER 38 -26.289 15.617 -12.688 257 HG SER 38 HG SER 38 -28.357 15.909 -12.391 258 H THR 39 H THR 39 -28.645 12.680 -12.838 259 HA THR 39 HA THR 39 -27.964 9.949 -13.514 260 HB THR 39 HB THR 39 -30.473 11.340 -14.452 261 HG1 THR 39 HG1 THR 39 -31.164 11.484 -12.471 262 1HG2 THR 39 1HG2 THR 39 -30.108 9.014 -15.141 263 2HG2 THR 39 2HG2 THR 39 -31.435 9.106 -13.986 264 3HG2 THR 39 3HG2 THR 39 -29.849 8.545 -13.463 265 H LYS 40 H LYS 40 -28.922 12.756 -15.533 266 HA LYS 40 HA LYS 40 -28.614 11.456 -18.046 267 1HB LYS 40 1HB LYS 40 -29.753 13.579 -17.972 268 2HB LYS 40 2HB LYS 40 -28.316 13.783 -18.967 269 1HG LYS 40 1HG LYS 40 -27.245 15.107 -17.404 270 2HG LYS 40 2HG LYS 40 -28.080 14.363 -16.041 271 1HD LYS 40 1HD LYS 40 -29.811 15.831 -16.157 272 2HD LYS 40 2HD LYS 40 -29.869 15.763 -17.919 273 1HE LYS 40 1HE LYS 40 -27.601 17.117 -17.726 274 2HE LYS 40 2HE LYS 40 -28.236 17.542 -16.136 275 1HZ LYS 40 1HZ LYS 40 -29.623 17.940 -18.733 276 2HZ LYS 40 2HZ LYS 40 -28.914 19.156 -17.782 277 3HZ LYS 40 3HZ LYS 40 -30.273 18.311 -17.211 278 H GLU 41 H GLU 41 -26.252 13.335 -16.134 279 HA GLU 41 HA GLU 41 -24.085 13.204 -17.978 280 1HB GLU 41 1HB GLU 41 -22.691 13.324 -15.770 281 2HB GLU 41 2HB GLU 41 -24.262 13.479 -14.984 282 1HG GLU 41 1HG GLU 41 -24.218 15.225 -17.254 283 2HG GLU 41 2HG GLU 41 -22.751 15.501 -16.319 284 H LEU 42 H LEU 42 -25.193 10.902 -15.509 285 HA LEU 42 HA LEU 42 -22.990 9.102 -15.586 286 1HB LEU 42 1HB LEU 42 -25.468 7.663 -15.282 287 2HB LEU 42 2HB LEU 42 -25.573 9.189 -14.409 288 HG LEU 42 HG LEU 42 -23.320 7.176 -14.153 289 1HD1 LEU 42 1HD1 LEU 42 -22.514 9.423 -13.737 290 2HD1 LEU 42 2HD1 LEU 42 -22.712 8.622 -12.180 291 3HD1 LEU 42 3HD1 LEU 42 -23.916 9.786 -12.732 292 1HD2 LEU 42 1HD2 LEU 42 -25.891 7.574 -12.723 293 2HD2 LEU 42 2HD2 LEU 42 -24.477 7.339 -11.694 294 3HD2 LEU 42 3HD2 LEU 42 -24.910 6.118 -12.889 295 H GLY 43 H GLY 43 -26.086 8.936 -17.384 296 1HA GLY 43 1HA GLY 43 -26.611 7.927 -19.434 297 2HA GLY 43 2HA GLY 43 -25.444 6.684 -18.987 298 H THR 44 H THR 44 -24.605 10.102 -19.388 299 HA THR 44 HA THR 44 -23.687 9.904 -22.116 300 HB THR 44 HB THR 44 -22.540 11.817 -20.077 301 HG1 THR 44 HG1 THR 44 -25.055 11.926 -21.387 302 1HG2 THR 44 1HG2 THR 44 -22.244 13.259 -21.941 303 2HG2 THR 44 2HG2 THR 44 -23.328 12.303 -22.952 304 3HG2 THR 44 3HG2 THR 44 -21.742 11.668 -22.510 305 H VAL 45 H VAL 45 -22.053 9.522 -18.968 306 HA VAL 45 HA VAL 45 -19.424 9.110 -20.102 307 HB VAL 45 HB VAL 45 -20.445 8.148 -17.409 308 1HG1 VAL 45 1HG1 VAL 45 -17.728 8.619 -18.629 309 2HG1 VAL 45 2HG1 VAL 45 -18.315 7.204 -17.755 310 3HG1 VAL 45 3HG1 VAL 45 -17.953 8.693 -16.882 311 1HG2 VAL 45 1HG2 VAL 45 -20.302 10.806 -18.391 312 2HG2 VAL 45 2HG2 VAL 45 -18.922 10.600 -17.316 313 3HG2 VAL 45 3HG2 VAL 45 -20.553 10.293 -16.723 314 H MET 46 H MET 46 -22.128 6.949 -19.309 315 HA MET 46 HA MET 46 -20.666 4.481 -19.609 316 1HB MET 46 1HB MET 46 -22.823 3.404 -19.746 317 2HB MET 46 2HB MET 46 -23.608 4.915 -20.204 318 1HG MET 46 1HG MET 46 -23.804 5.569 -18.054 319 2HG MET 46 2HG MET 46 -22.128 5.155 -17.693 320 1HE MET 46 1HE MET 46 -21.316 2.632 -17.068 321 2HE MET 46 2HE MET 46 -22.240 2.225 -15.624 322 3HE MET 46 3HE MET 46 -21.727 3.889 -15.891 323 NH1 ARG 47 NH1 ARG 47 -28.012 6.149 -24.383 324 NH2 ARG 47 NH2 ARG 47 -27.145 8.229 -24.621 325 H ARG 47 H ARG 47 -22.673 6.395 -21.853 326 HA ARG 47 HA ARG 47 -22.339 4.750 -24.152 327 1HB ARG 47 1HB ARG 47 -22.496 7.339 -25.140 328 2HB ARG 47 2HB ARG 47 -23.275 7.464 -23.563 329 1HG ARG 47 1HG ARG 47 -23.947 5.272 -25.538 330 2HG ARG 47 2HG ARG 47 -24.789 6.820 -25.519 331 1HD ARG 47 1HD ARG 47 -24.510 5.324 -22.939 332 2HD ARG 47 2HD ARG 47 -25.697 4.755 -24.112 333 HE ARG 47 HE ARG 47 -25.926 7.155 -22.504 334 1HH1 ARG 47 1HH1 ARG 47 -27.915 8.485 -25.205 335 2HH1 ARG 47 2HH1 ARG 47 -26.429 8.896 -24.418 336 1HH2 ARG 47 1HH2 ARG 47 -27.959 5.225 -24.000 337 2HH2 ARG 47 2HH2 ARG 47 -28.784 6.402 -24.968 338 H MET 48 H MET 48 -20.150 7.072 -22.650 339 HA MET 48 HA MET 48 -18.433 7.540 -24.895 340 1HB MET 48 1HB MET 48 -16.743 7.612 -22.710 341 2HB MET 48 2HB MET 48 -18.316 7.935 -21.982 342 1HG MET 48 1HG MET 48 -17.455 10.067 -22.627 343 2HG MET 48 2HG MET 48 -18.660 9.655 -23.848 344 1HE MET 48 1HE MET 48 -15.382 10.993 -23.163 345 2HE MET 48 2HE MET 48 -16.444 11.862 -24.267 346 3HE MET 48 3HE MET 48 -14.864 11.318 -24.823 347 H LEU 49 H LEU 49 -18.428 5.008 -22.386 348 HA LEU 49 HA LEU 49 -16.030 3.699 -23.351 349 1HB LEU 49 1HB LEU 49 -18.272 2.404 -21.780 350 2HB LEU 49 2HB LEU 49 -17.087 3.471 -21.030 351 HG LEU 49 HG LEU 49 -15.462 1.778 -22.449 352 1HD1 LEU 49 1HD1 LEU 49 -16.525 1.572 -19.621 353 2HD1 LEU 49 2HD1 LEU 49 -15.043 2.362 -20.158 354 3HD1 LEU 49 3HD1 LEU 49 -15.173 0.605 -20.211 355 1HD2 LEU 49 1HD2 LEU 49 -16.546 -0.505 -21.537 356 2HD2 LEU 49 2HD2 LEU 49 -16.899 0.110 -23.152 357 3HD2 LEU 49 3HD2 LEU 49 -18.037 0.390 -21.835 358 H GLY 50 H GLY 50 -19.440 3.536 -24.189 359 1HA GLY 50 1HA GLY 50 -18.801 1.390 -26.173 360 2HA GLY 50 2HA GLY 50 -19.879 2.732 -26.534 361 H GLN 51 H GLN 51 -20.963 2.456 -23.665 362 HA GLN 51 HA GLN 51 -22.568 -0.033 -24.048 363 1HB GLN 51 1HB GLN 51 -22.533 1.529 -21.482 364 2HB GLN 51 2HB GLN 51 -21.150 0.509 -21.880 365 1HG GLN 51 1HG GLN 51 -22.473 -1.458 -21.914 366 2HG GLN 51 2HG GLN 51 -23.978 -0.544 -22.019 367 1HE2 GLN 51 1HE2 GLN 51 -24.675 0.632 -20.024 368 2HE2 GLN 51 2HE2 GLN 51 -24.112 0.125 -18.506 369 H ASN 52 H ASN 52 -24.885 0.130 -23.739 370 HA ASN 52 HA ASN 52 -25.943 2.924 -23.947 371 1HB ASN 52 1HB ASN 52 -27.849 1.634 -25.263 372 2HB ASN 52 2HB ASN 52 -26.563 0.463 -25.546 373 1HD2 ASN 52 1HD2 ASN 52 -27.975 2.696 -27.275 374 2HD2 ASN 52 2HD2 ASN 52 -26.663 3.469 -28.023 375 HA PRO 53 HA PRO 53 -27.910 0.826 -20.335 376 1HB PRO 53 1HB PRO 53 -26.307 1.579 -18.862 377 2HB PRO 53 2HB PRO 53 -27.458 2.898 -18.587 378 1HG PRO 53 1HG PRO 53 -24.869 3.268 -19.498 379 2HG PRO 53 2HG PRO 53 -26.190 4.404 -19.812 380 1HD PRO 53 1HD PRO 53 -24.820 2.578 -21.677 381 2HD PRO 53 2HD PRO 53 -25.891 3.946 -22.043 382 H THR 54 H THR 54 -29.871 1.571 -19.132 383 HA THR 54 HA THR 54 -31.529 3.343 -20.789 384 HB THR 54 HB THR 54 -32.565 2.304 -18.200 385 HG1 THR 54 HG1 THR 54 -31.984 0.613 -20.405 386 1HG2 THR 54 1HG2 THR 54 -33.513 2.573 -21.045 387 2HG2 THR 54 2HG2 THR 54 -34.156 3.341 -19.594 388 3HG2 THR 54 3HG2 THR 54 -34.413 1.618 -19.865 389 H LYS 55 H LYS 55 -32.485 5.294 -20.039 390 HA LYS 55 HA LYS 55 -30.863 6.874 -18.240 391 1HB LYS 55 1HB LYS 55 -32.690 8.579 -18.543 392 2HB LYS 55 2HB LYS 55 -33.590 7.378 -19.467 393 1HG LYS 55 1HG LYS 55 -31.458 7.183 -20.920 394 2HG LYS 55 2HG LYS 55 -30.955 8.689 -20.154 395 1HD LYS 55 1HD LYS 55 -32.585 9.927 -21.212 396 2HD LYS 55 2HD LYS 55 -33.728 8.584 -21.247 397 1HE LYS 55 1HE LYS 55 -33.125 8.766 -23.501 398 2HE LYS 55 2HE LYS 55 -32.014 7.524 -22.929 399 1HZ LYS 55 1HZ LYS 55 -30.916 9.269 -24.241 400 2HZ LYS 55 2HZ LYS 55 -30.304 9.166 -22.660 401 3HZ LYS 55 3HZ LYS 55 -31.371 10.420 -23.081 402 H GLU 56 H GLU 56 -34.148 5.478 -17.973 403 HA GLU 56 HA GLU 56 -34.605 6.395 -15.283 404 1HB GLU 56 1HB GLU 56 -36.499 5.741 -16.644 405 2HB GLU 56 2HB GLU 56 -36.418 4.653 -15.261 406 1HG GLU 56 1HG GLU 56 -34.969 3.166 -16.892 407 2HG GLU 56 2HG GLU 56 -35.775 4.107 -18.147 408 H GLU 57 H GLU 57 -33.006 3.547 -16.605 409 HA GLU 57 HA GLU 57 -32.930 2.051 -14.124 410 1HB GLU 57 1HB GLU 57 -30.830 1.743 -16.251 411 2HB GLU 57 2HB GLU 57 -32.492 1.281 -16.617 412 1HG GLU 57 1HG GLU 57 -31.065 0.303 -14.136 413 2HG GLU 57 2HG GLU 57 -30.967 -0.559 -15.671 414 H LEU 58 H LEU 58 -30.762 4.355 -15.721 415 HA LEU 58 HA LEU 58 -28.592 4.097 -13.849 416 1HB LEU 58 1HB LEU 58 -28.380 6.653 -14.852 417 2HB LEU 58 2HB LEU 58 -29.330 5.844 -16.099 418 HG LEU 58 HG LEU 58 -27.615 3.990 -16.074 419 1HD1 LEU 58 1HD1 LEU 58 -26.994 6.818 -16.869 420 2HD1 LEU 58 2HD1 LEU 58 -27.333 5.422 -17.891 421 3HD1 LEU 58 3HD1 LEU 58 -25.769 5.569 -17.092 422 1HD2 LEU 58 1HD2 LEU 58 -25.640 5.809 -14.816 423 2HD2 LEU 58 2HD2 LEU 58 -25.784 4.055 -14.706 424 3HD2 LEU 58 3HD2 LEU 58 -26.815 5.087 -13.717 425 H ASP 59 H ASP 59 -31.536 6.002 -13.882 426 HA ASP 59 HA ASP 59 -30.868 7.895 -11.848 427 1HB ASP 59 1HB ASP 59 -33.655 6.812 -12.023 428 2HB ASP 59 2HB ASP 59 -33.003 7.647 -13.432 429 H ALA 60 H ALA 60 -32.115 4.572 -11.698 430 HA ALA 60 HA ALA 60 -32.539 4.577 -8.827 431 1HB ALA 60 1HB ALA 60 -32.399 2.005 -9.214 432 2HB ALA 60 2HB ALA 60 -32.320 2.419 -10.927 433 3HB ALA 60 3HB ALA 60 -33.727 2.884 -9.971 434 H ILE 61 H ILE 61 -29.842 3.830 -10.963 435 HA ILE 61 HA ILE 61 -28.108 2.567 -9.088 436 HB ILE 61 HB ILE 61 -27.700 4.146 -11.626 437 1HG1 ILE 61 1HG1 ILE 61 -28.487 1.665 -11.408 438 2HG1 ILE 61 2HG1 ILE 61 -26.802 1.334 -11.006 439 1HG2 ILE 61 1HG2 ILE 61 -25.562 3.109 -9.740 440 2HG2 ILE 61 2HG2 ILE 61 -25.732 4.742 -10.380 441 3HG2 ILE 61 3HG2 ILE 61 -25.254 3.424 -11.448 442 1HD1 ILE 61 1HD1 ILE 61 -26.751 1.085 -13.319 443 2HD1 ILE 61 2HD1 ILE 61 -26.339 2.793 -13.168 444 3HD1 ILE 61 3HD1 ILE 61 -27.985 2.317 -13.581 445 H ILE 62 H ILE 62 -28.837 5.982 -9.705 446 HA ILE 62 HA ILE 62 -26.687 7.017 -8.045 447 HB ILE 62 HB ILE 62 -29.278 8.345 -8.920 448 1HG1 ILE 62 1HG1 ILE 62 -27.855 7.561 -10.803 449 2HG1 ILE 62 2HG1 ILE 62 -26.489 8.441 -10.122 450 1HG2 ILE 62 1HG2 ILE 62 -28.520 9.775 -7.264 451 2HG2 ILE 62 2HG2 ILE 62 -27.571 10.381 -8.619 452 3HG2 ILE 62 3HG2 ILE 62 -26.839 9.278 -7.454 453 1HD1 ILE 62 1HD1 ILE 62 -28.679 9.428 -11.749 454 2HD1 ILE 62 2HD1 ILE 62 -27.179 10.236 -11.297 455 3HD1 ILE 62 3HD1 ILE 62 -28.578 10.314 -10.228 456 H GLU 63 H GLU 63 -30.098 6.176 -7.517 457 HA GLU 63 HA GLU 63 -30.418 7.267 -4.909 458 1HB GLU 63 1HB GLU 63 -31.782 4.738 -5.109 459 2HB GLU 63 2HB GLU 63 -31.901 5.582 -6.653 460 1HG GLU 63 1HG GLU 63 -33.381 7.051 -5.795 461 2HG GLU 63 2HG GLU 63 -32.295 7.435 -4.459 462 H GLU 64 H GLU 64 -29.047 4.163 -5.985 463 HA GLU 64 HA GLU 64 -28.737 2.971 -3.404 464 1HB GLU 64 1HB GLU 64 -26.597 2.393 -5.354 465 2HB GLU 64 2HB GLU 64 -28.229 2.175 -5.986 466 1HG GLU 64 1HG GLU 64 -28.740 0.798 -3.923 467 2HG GLU 64 2HG GLU 64 -27.023 0.880 -3.524 468 H VAL 65 H VAL 65 -26.538 5.040 -5.321 469 HA VAL 65 HA VAL 65 -24.414 5.018 -3.351 470 HB VAL 65 HB VAL 65 -24.974 7.098 -5.494 471 1HG1 VAL 65 1HG1 VAL 65 -22.761 6.583 -3.585 472 2HG1 VAL 65 2HG1 VAL 65 -23.252 8.087 -4.363 473 3HG1 VAL 65 3HG1 VAL 65 -22.270 6.921 -5.245 474 1HG2 VAL 65 1HG2 VAL 65 -22.983 4.882 -5.827 475 2HG2 VAL 65 2HG2 VAL 65 -23.905 5.753 -7.053 476 3HG2 VAL 65 3HG2 VAL 65 -24.689 4.510 -6.080 477 H ASP 66 H ASP 66 -27.261 7.033 -3.895 478 HA ASP 66 HA ASP 66 -26.550 9.107 -2.014 479 1HB ASP 66 1HB ASP 66 -29.197 9.391 -2.142 480 2HB ASP 66 2HB ASP 66 -29.011 8.322 -3.532 481 H GLU 67 H GLU 67 -25.868 7.525 -0.317 482 HA GLU 67 HA GLU 67 -27.599 5.763 1.056 483 1HB GLU 67 1HB GLU 67 -25.994 6.763 3.063 484 2HB GLU 67 2HB GLU 67 -25.047 7.110 1.620 485 1HG GLU 67 1HG GLU 67 -24.391 4.916 2.262 486 2HG GLU 67 2HG GLU 67 -25.523 4.674 0.932 487 H ASP 68 H ASP 68 -27.119 9.269 1.497 488 HA ASP 68 HA ASP 68 -29.026 9.386 3.720 489 1HB ASP 68 1HB ASP 68 -27.894 11.671 2.075 490 2HB ASP 68 2HB ASP 68 -27.085 10.972 3.476 491 H GLY 69 H GLY 69 -29.068 9.917 0.221 492 1HA GLY 69 1HA GLY 69 -32.038 10.104 0.364 493 2HA GLY 69 2HA GLY 69 -31.113 9.618 -1.057 494 H SER 70 H SER 70 -29.343 11.575 -1.507 495 HA SER 70 HA SER 70 -30.594 14.224 -1.211 496 1HB SER 70 1HB SER 70 -28.220 13.748 -2.979 497 2HB SER 70 2HB SER 70 -28.019 13.574 -1.237 498 HG SER 70 HG SER 70 -27.635 15.717 -1.929 499 H GLY 71 H GLY 71 -29.585 12.174 -3.986 500 1HA GLY 71 1HA GLY 71 -31.416 13.738 -5.736 501 2HA GLY 71 2HA GLY 71 -31.644 11.992 -5.627 502 H THR 72 H THR 72 -28.831 14.192 -5.989 503 HA THR 72 HA THR 72 -28.034 12.659 -8.424 504 HB THR 72 HB THR 72 -26.446 14.689 -8.691 505 HG1 THR 72 HG1 THR 72 -26.736 16.332 -7.388 506 1HG2 THR 72 1HG2 THR 72 -28.493 14.309 -10.040 507 2HG2 THR 72 2HG2 THR 72 -28.214 16.022 -9.728 508 3HG2 THR 72 3HG2 THR 72 -29.438 15.147 -8.809 509 H ILE 73 H ILE 73 -25.415 12.783 -8.627 510 HA ILE 73 HA ILE 73 -24.433 11.522 -6.116 511 HB ILE 73 HB ILE 73 -22.816 11.637 -8.637 512 1HG1 ILE 73 1HG1 ILE 73 -25.144 10.918 -9.275 513 2HG1 ILE 73 2HG1 ILE 73 -25.015 9.611 -8.101 514 1HG2 ILE 73 1HG2 ILE 73 -23.195 9.474 -6.550 515 2HG2 ILE 73 2HG2 ILE 73 -21.935 10.706 -6.479 516 3HG2 ILE 73 3HG2 ILE 73 -21.949 9.535 -7.797 517 1HD1 ILE 73 1HD1 ILE 73 -24.360 8.561 -10.091 518 2HD1 ILE 73 2HD1 ILE 73 -22.808 9.028 -9.393 519 3HD1 ILE 73 3HD1 ILE 73 -23.522 9.994 -10.684 520 H ASP 74 H ASP 74 -22.869 12.445 -4.913 521 HA ASP 74 HA ASP 74 -21.850 15.119 -5.743 522 1HB ASP 74 1HB ASP 74 -21.293 15.329 -3.277 523 2HB ASP 74 2HB ASP 74 -22.126 13.798 -3.031 524 H PHE 75 H PHE 75 -19.575 15.518 -4.581 525 HA PHE 75 HA PHE 75 -17.721 13.630 -5.769 526 1HB PHE 75 1HB PHE 75 -17.144 15.868 -3.802 527 2HB PHE 75 2HB PHE 75 -17.220 16.067 -5.550 528 HD1 PHE 75 HD1 PHE 75 -14.962 15.826 -2.995 529 HD2 PHE 75 HD2 PHE 75 -15.830 13.943 -6.756 530 HE1 PHE 75 HE1 PHE 75 -12.601 15.093 -3.175 531 HE2 PHE 75 HE2 PHE 75 -13.470 13.209 -6.935 532 HZ PHE 75 HZ PHE 75 -11.854 13.783 -5.144 533 H GLU 76 H GLU 76 -18.614 14.442 -2.401 534 HA GLU 76 HA GLU 76 -16.923 12.417 -1.217 535 1HB GLU 76 1HB GLU 76 -18.517 12.734 0.774 536 2HB GLU 76 2HB GLU 76 -19.340 13.941 -0.214 537 1HG GLU 76 1HG GLU 76 -17.822 15.364 0.732 538 2HG GLU 76 2HG GLU 76 -16.751 14.734 -0.519 539 H GLU 77 H GLU 77 -20.020 12.337 -2.796 540 HA GLU 77 HA GLU 77 -20.951 9.818 -1.651 541 1HB GLU 77 1HB GLU 77 -21.886 10.316 -4.359 542 2HB GLU 77 2HB GLU 77 -21.995 11.787 -3.394 543 1HG GLU 77 1HG GLU 77 -23.251 10.568 -1.662 544 2HG GLU 77 2HG GLU 77 -23.126 9.083 -2.608 545 H PHE 78 H PHE 78 -19.062 10.910 -4.385 546 HA PHE 78 HA PHE 78 -18.704 8.361 -5.677 547 1HB PHE 78 1HB PHE 78 -17.239 11.010 -5.750 548 2HB PHE 78 2HB PHE 78 -18.390 10.395 -6.929 549 HD1 PHE 78 HD1 PHE 78 -17.762 8.327 -8.291 550 HD2 PHE 78 HD2 PHE 78 -14.930 10.499 -5.903 551 HE1 PHE 78 HE1 PHE 78 -15.899 7.283 -9.550 552 HE2 PHE 78 HE2 PHE 78 -13.068 9.454 -7.160 553 HZ PHE 78 HZ PHE 78 -13.552 7.846 -8.985 554 H LEU 79 H LEU 79 -16.974 10.181 -3.168 555 HA LEU 79 HA LEU 79 -14.657 8.442 -3.080 556 1HB LEU 79 1HB LEU 79 -14.213 9.562 -0.899 557 2HB LEU 79 2HB LEU 79 -15.795 10.332 -1.004 558 HG LEU 79 HG LEU 79 -15.053 11.301 -3.234 559 1HD1 LEU 79 1HD1 LEU 79 -13.794 11.988 -0.594 560 2HD1 LEU 79 2HD1 LEU 79 -15.028 12.865 -1.499 561 3HD1 LEU 79 3HD1 LEU 79 -13.349 12.900 -2.036 562 1HD2 LEU 79 1HD2 LEU 79 -12.555 11.402 -3.545 563 2HD2 LEU 79 2HD2 LEU 79 -13.228 9.786 -3.752 564 3HD2 LEU 79 3HD2 LEU 79 -12.398 10.209 -2.256 565 H VAL 80 H VAL 80 -17.589 8.687 -1.010 566 HA VAL 80 HA VAL 80 -16.921 6.468 0.671 567 HB VAL 80 HB VAL 80 -18.699 8.187 1.161 568 1HG1 VAL 80 1HG1 VAL 80 -20.944 7.827 0.208 569 2HG1 VAL 80 2HG1 VAL 80 -20.306 6.544 -0.819 570 3HG1 VAL 80 3HG1 VAL 80 -19.775 8.209 -1.054 571 1HG2 VAL 80 1HG2 VAL 80 -18.493 5.673 2.064 572 2HG2 VAL 80 2HG2 VAL 80 -20.067 5.536 1.282 573 3HG2 VAL 80 3HG2 VAL 80 -19.816 6.729 2.556 574 H MET 81 H MET 81 -18.448 6.662 -2.498 575 HA MET 81 HA MET 81 -19.332 3.903 -2.584 576 1HB MET 81 1HB MET 81 -18.970 6.132 -4.575 577 2HB MET 81 2HB MET 81 -20.431 5.237 -4.167 578 1HG MET 81 1HG MET 81 -19.429 3.215 -5.263 579 2HG MET 81 2HG MET 81 -18.072 4.223 -5.766 580 1HE MET 81 1HE MET 81 -19.060 6.930 -7.286 581 2HE MET 81 2HE MET 81 -18.850 5.893 -8.696 582 3HE MET 81 3HE MET 81 -17.854 5.636 -7.266 583 H MET 82 H MET 82 -16.446 5.692 -3.654 584 HA MET 82 HA MET 82 -15.094 3.421 -4.814 585 1HB MET 82 1HB MET 82 -13.695 5.776 -3.537 586 2HB MET 82 2HB MET 82 -14.545 5.942 -5.074 587 1HG MET 82 1HG MET 82 -13.102 3.704 -5.581 588 2HG MET 82 2HG MET 82 -12.019 4.509 -4.446 589 1HE MET 82 1HE MET 82 -12.916 5.430 -8.744 590 2HE MET 82 2HE MET 82 -14.313 5.360 -7.674 591 3HE MET 82 3HE MET 82 -13.208 3.991 -7.758 592 H VAL 83 H VAL 83 -15.596 4.532 -1.558 593 HA VAL 83 HA VAL 83 -13.397 3.193 -0.284 594 HB VAL 83 HB VAL 83 -15.434 4.960 0.474 595 1HG1 VAL 83 1HG1 VAL 83 -15.677 2.439 2.151 596 2HG1 VAL 83 2HG1 VAL 83 -16.868 2.935 0.950 597 3HG1 VAL 83 3HG1 VAL 83 -16.564 3.949 2.358 598 1HG2 VAL 83 1HG2 VAL 83 -13.115 4.921 1.289 599 2HG2 VAL 83 2HG2 VAL 83 -13.441 3.443 2.191 600 3HG2 VAL 83 3HG2 VAL 83 -14.243 4.947 2.641 601 NH1 ARG 84 NH1 ARG 84 -22.486 2.513 -0.186 602 NH2 ARG 84 NH2 ARG 84 -20.474 2.771 0.828 603 H ARG 84 H ARG 84 -16.625 2.124 -1.278 604 HA ARG 84 HA ARG 84 -16.156 -0.492 0.077 605 1HB ARG 84 1HB ARG 84 -18.308 0.523 0.557 606 2HB ARG 84 2HB ARG 84 -18.551 -0.925 -0.416 607 1HG ARG 84 1HG ARG 84 -18.458 0.730 -2.443 608 2HG ARG 84 2HG ARG 84 -18.802 1.962 -1.229 609 1HD ARG 84 1HD ARG 84 -20.464 -0.529 -1.722 610 2HD ARG 84 2HD ARG 84 -20.882 1.096 -2.263 611 HE ARG 84 HE ARG 84 -21.162 0.072 0.456 612 1HH1 ARG 84 1HH1 ARG 84 -22.734 3.449 0.063 613 2HH1 ARG 84 2HH1 ARG 84 -23.131 1.946 -0.700 614 1HH2 ARG 84 1HH2 ARG 84 -19.583 2.401 1.091 615 2HH2 ARG 84 2HH2 ARG 84 -20.721 3.706 1.081 616 H GLN 85 H GLN 85 -15.097 0.585 -2.693 617 HA GLN 85 HA GLN 85 -15.764 -1.933 -4.148 618 1HB GLN 85 1HB GLN 85 -16.966 0.028 -5.144 619 2HB GLN 85 2HB GLN 85 -15.860 -0.762 -6.262 620 1HG GLN 85 1HG GLN 85 -14.651 1.419 -4.675 621 2HG GLN 85 2HG GLN 85 -15.912 1.935 -5.792 622 1HE2 GLN 85 1HE2 GLN 85 -12.662 1.717 -5.696 623 2HE2 GLN 85 2HE2 GLN 85 -12.326 1.305 -7.306 624 H MET 86 H MET 86 -13.340 0.543 -3.424 625 HA MET 86 HA MET 86 -11.277 -0.355 -5.163 626 1HB MET 86 1HB MET 86 -11.199 1.769 -3.869 627 2HB MET 86 2HB MET 86 -9.735 0.808 -3.671 628 1HG MET 86 1HG MET 86 -10.269 0.208 -1.476 629 2HG MET 86 2HG MET 86 -11.995 0.468 -1.717 630 1HE MET 86 1HE MET 86 -8.714 3.510 -0.808 631 2HE MET 86 2HE MET 86 -8.697 2.651 -2.346 632 3HE MET 86 3HE MET 86 -8.627 1.743 -0.839 633 H LYS 87 H LYS 87 -12.612 -1.922 -2.372 634 HA LYS 87 HA LYS 87 -10.287 -3.385 -1.538 635 1HB LYS 87 1HB LYS 87 -11.993 -4.986 -0.555 636 2HB LYS 87 2HB LYS 87 -13.241 -3.965 -1.269 637 1HG LYS 87 1HG LYS 87 -12.547 -2.069 0.046 638 2HG LYS 87 2HG LYS 87 -11.092 -2.905 0.588 639 1HD LYS 87 1HD LYS 87 -12.571 -3.127 2.416 640 2HD LYS 87 2HD LYS 87 -12.728 -4.667 1.571 641 1HE LYS 87 1HE LYS 87 -14.715 -3.715 0.355 642 2HE LYS 87 2HE LYS 87 -14.594 -2.282 1.375 643 1HZ LYS 87 1HZ LYS 87 -14.880 -3.674 3.321 644 2HZ LYS 87 2HZ LYS 87 -14.979 -5.063 2.347 645 3HZ LYS 87 3HZ LYS 87 -16.186 -3.871 2.258 646 H GLU 88 H GLU 88 -13.089 -4.635 -3.366 647 HA GLU 88 HA GLU 88 -11.402 -6.820 -4.417 648 1HB GLU 88 1HB GLU 88 -14.293 -6.389 -5.133 649 2HB GLU 88 2HB GLU 88 -13.845 -7.036 -3.556 650 1HG GLU 88 1HG GLU 88 -13.311 -9.059 -4.432 651 2HG GLU 88 2HG GLU 88 -12.413 -8.331 -5.763 652 H ASP 89 H ASP 89 -13.182 -4.006 -5.675 653 HA ASP 89 HA ASP 89 -12.842 -4.558 -8.449 654 1HB ASP 89 1HB ASP 89 -12.868 -1.796 -7.211 655 2HB ASP 89 2HB ASP 89 -14.321 -2.767 -7.432 656 H ALA 90 H ALA 90 -10.734 -2.712 -6.208 657 HA ALA 90 HA ALA 90 -8.778 -2.137 -8.285 658 1HB ALA 90 1HB ALA 90 -7.584 -1.005 -6.644 659 2HB ALA 90 2HB ALA 90 -8.056 -2.134 -5.375 660 3HB ALA 90 3HB ALA 90 -9.211 -0.939 -5.967 661 H LYS 91 H LYS 91 -6.689 -3.100 -8.506 662 HA LYS 91 HA LYS 91 -6.632 -5.968 -8.149 663 1HB LYS 91 1HB LYS 91 -4.322 -5.796 -9.042 664 2HB LYS 91 2HB LYS 91 -4.409 -4.042 -8.898 665 1HG LYS 91 1HG LYS 91 -6.736 -4.940 -10.310 666 2HG LYS 91 2HG LYS 91 -5.321 -5.684 -11.054 667 1HD LYS 91 1HD LYS 91 -5.303 -2.751 -10.370 668 2HD LYS 91 2HD LYS 91 -6.074 -3.308 -11.855 669 1HE LYS 91 1HE LYS 91 -3.924 -4.511 -12.417 670 2HE LYS 91 2HE LYS 91 -3.184 -3.716 -11.028 671 1HZ LYS 91 1HZ LYS 91 -4.456 -2.330 -13.327 672 2HZ LYS 91 2HZ LYS 91 -2.785 -2.497 -13.080 673 3HZ LYS 91 3HZ LYS 91 -3.717 -1.577 -12.000 674 H GLY 92 H GLY 92 -5.563 -3.299 -6.161 675 1HA GLY 92 1HA GLY 92 -3.961 -5.165 -4.463 676 2HA GLY 92 2HA GLY 92 -5.252 -4.209 -3.737 677 H LYS 93 H LYS 93 -4.144 -2.183 -6.034 678 HA LYS 93 HA LYS 93 -1.612 -1.268 -5.290 679 1HB LYS 93 1HB LYS 93 -3.680 0.765 -5.979 680 2HB LYS 93 2HB LYS 93 -3.392 -0.502 -7.167 681 1HG LYS 93 1HG LYS 93 -0.978 -0.042 -7.025 682 2HG LYS 93 2HG LYS 93 -1.314 1.338 -5.977 683 1HD LYS 93 1HD LYS 93 -2.991 1.953 -7.971 684 2HD LYS 93 2HD LYS 93 -1.846 0.985 -8.902 685 1HE LYS 93 1HE LYS 93 -0.093 2.495 -7.531 686 2HE LYS 93 2HE LYS 93 -1.457 3.613 -7.546 687 1HZ LYS 93 1HZ LYS 93 -0.108 3.978 -9.476 688 2HZ LYS 93 2HZ LYS 93 -1.583 3.299 -9.970 689 3HZ LYS 93 3HZ LYS 93 -0.183 2.341 -9.907 690 H SER 94 H SER 94 -4.779 -0.564 -3.820 691 HA SER 94 HA SER 94 -3.916 1.526 -2.067 692 1HB SER 94 1HB SER 94 -6.036 -0.472 -1.289 693 2HB SER 94 2HB SER 94 -6.327 0.673 -2.596 694 HG SER 94 HG SER 94 -6.294 1.098 0.075 695 H GLU 95 H GLU 95 -3.933 -2.017 -1.707 696 HA GLU 95 HA GLU 95 -3.019 -2.014 1.042 697 1HB GLU 95 1HB GLU 95 -2.515 -4.433 0.582 698 2HB GLU 95 2HB GLU 95 -2.947 -4.159 -1.104 699 1HG GLU 95 1HG GLU 95 -5.079 -4.616 -0.505 700 2HG GLU 95 2HG GLU 95 -5.081 -3.066 0.334 701 H GLU 96 H GLU 96 -1.244 -0.399 0.739 702 HA GLU 96 HA GLU 96 1.088 -1.045 -0.848 703 1HB GLU 96 1HB GLU 96 1.544 0.690 1.481 704 2HB GLU 96 2HB GLU 96 0.182 1.203 0.484 705 1HG GLU 96 1HG GLU 96 1.805 2.222 -0.756 706 2HG GLU 96 2HG GLU 96 2.020 0.612 -1.442 707 H GLU 97 H GLU 97 0.259 -1.456 2.596 708 HA GLU 97 HA GLU 97 2.797 -2.433 3.462 709 1HB GLU 97 1HB GLU 97 0.603 -3.715 4.864 710 2HB GLU 97 2HB GLU 97 0.271 -1.999 4.627 711 1HG GLU 97 1HG GLU 97 1.486 -2.214 6.700 712 2HG GLU 97 2HG GLU 97 2.598 -1.528 5.516 713 H LEU 98 H LEU 98 -0.039 -4.148 2.120 714 HA LEU 98 HA LEU 98 1.089 -6.785 2.465 715 1HB LEU 98 1HB LEU 98 -0.615 -7.377 0.611 716 2HB LEU 98 2HB LEU 98 -1.123 -5.699 0.713 717 HG LEU 98 HG LEU 98 -2.439 -7.363 2.140 718 1HD1 LEU 98 1HD1 LEU 98 -0.017 -7.217 3.948 719 2HD1 LEU 98 2HD1 LEU 98 -0.341 -8.590 2.889 720 3HD1 LEU 98 3HD1 LEU 98 -1.477 -8.179 4.171 721 1HD2 LEU 98 1HD2 LEU 98 -2.833 -5.749 3.794 722 2HD2 LEU 98 2HD2 LEU 98 -2.128 -4.789 2.492 723 3HD2 LEU 98 3HD2 LEU 98 -1.138 -5.270 3.870 724 H ALA 99 H ALA 99 1.396 -4.306 -0.025 725 HA ALA 99 HA ALA 99 2.514 -5.963 -2.087 726 1HB ALA 99 1HB ALA 99 3.345 -3.098 -1.662 727 2HB ALA 99 2HB ALA 99 1.707 -3.479 -2.189 728 3HB ALA 99 3HB ALA 99 3.085 -3.960 -3.177 729 H ASN 100 H ASN 100 3.923 -4.319 0.724 730 HA ASN 100 HA ASN 100 6.683 -4.843 0.023 731 1HB ASN 100 1HB ASN 100 6.927 -4.527 2.625 732 2HB ASN 100 2HB ASN 100 5.238 -4.028 2.537 733 1HD2 ASN 100 1HD2 ASN 100 4.970 -1.819 2.159 734 2HD2 ASN 100 2HD2 ASN 100 6.096 -0.821 1.375 735 H CYS 101 H CYS 101 4.346 -6.457 2.215 736 HA CYS 101 HA CYS 101 6.082 -8.598 3.004 737 1HB CYS 101 1HB CYS 101 3.858 -9.810 3.440 738 2HB CYS 101 2HB CYS 101 3.070 -8.344 2.860 739 HG CYS 101 HG CYS 101 4.994 -8.330 5.332 740 H PHE 102 H PHE 102 3.903 -8.162 0.249 741 HA PHE 102 HA PHE 102 3.987 -10.803 -0.821 742 1HB PHE 102 1HB PHE 102 3.889 -8.230 -2.426 743 2HB PHE 102 2HB PHE 102 2.498 -8.863 -1.549 744 HD1 PHE 102 HD1 PHE 102 4.433 -9.041 -4.573 745 HD2 PHE 102 HD2 PHE 102 1.721 -11.255 -2.085 746 HE1 PHE 102 HE1 PHE 102 3.912 -10.541 -6.475 747 HE2 PHE 102 HE2 PHE 102 1.203 -12.758 -3.987 748 HZ PHE 102 HZ PHE 102 2.292 -12.400 -6.185 749 NH1 ARG 103 NH1 ARG 103 6.175 -4.172 -6.000 750 NH2 ARG 103 NH2 ARG 103 7.678 -2.580 -5.407 751 H ARG 103 H ARG 103 6.136 -7.993 -1.292 752 HA ARG 103 HA ARG 103 7.869 -9.304 -3.203 753 1HB ARG 103 1HB ARG 103 9.473 -7.393 -2.246 754 2HB ARG 103 2HB ARG 103 7.951 -6.791 -1.588 755 1HG ARG 103 1HG ARG 103 7.052 -7.213 -4.020 756 2HG ARG 103 2HG ARG 103 8.759 -7.171 -4.462 757 1HD ARG 103 1HD ARG 103 8.812 -4.965 -3.064 758 2HD ARG 103 2HD ARG 103 7.060 -4.990 -3.262 759 HE ARG 103 HE ARG 103 8.859 -5.102 -5.648 760 1HH1 ARG 103 1HH1 ARG 103 5.551 -3.463 -6.328 761 2HH1 ARG 103 2HH1 ARG 103 5.915 -5.136 -6.064 762 1HH2 ARG 103 1HH2 ARG 103 8.564 -2.327 -5.016 763 2HH2 ARG 103 2HH2 ARG 103 7.056 -1.868 -5.734 764 H ILE 104 H ILE 104 7.848 -9.077 0.340 765 HA ILE 104 HA ILE 104 10.492 -9.989 0.857 766 HB ILE 104 HB ILE 104 7.923 -10.365 2.428 767 1HG1 ILE 104 1HG1 ILE 104 9.000 -8.042 1.997 768 2HG1 ILE 104 2HG1 ILE 104 10.280 -8.590 3.078 769 1HG2 ILE 104 1HG2 ILE 104 9.520 -10.827 4.354 770 2HG2 ILE 104 2HG2 ILE 104 10.791 -11.031 3.149 771 3HG2 ILE 104 3HG2 ILE 104 9.402 -12.118 3.158 772 1HD1 ILE 104 1HD1 ILE 104 7.560 -9.082 4.100 773 2HD1 ILE 104 2HD1 ILE 104 7.949 -7.375 3.896 774 3HD1 ILE 104 3HD1 ILE 104 8.962 -8.394 4.918 775 H PHE 105 H PHE 105 7.479 -11.863 0.364 776 HA PHE 105 HA PHE 105 8.785 -14.435 0.673 777 1HB PHE 105 1HB PHE 105 6.678 -15.338 -0.316 778 2HB PHE 105 2HB PHE 105 6.155 -13.686 -0.638 779 HD1 PHE 105 HD1 PHE 105 4.757 -12.696 0.928 780 HD2 PHE 105 HD2 PHE 105 7.553 -15.690 2.224 781 HE1 PHE 105 HE1 PHE 105 3.879 -12.517 3.239 782 HE2 PHE 105 HE2 PHE 105 6.674 -15.510 4.535 783 HZ PHE 105 HZ PHE 105 4.837 -13.923 5.043 784 H ASP 106 H ASP 106 8.092 -12.297 -2.067 785 HA ASP 106 HA ASP 106 9.169 -14.297 -3.974 786 1HB ASP 106 1HB ASP 106 8.024 -11.517 -4.421 787 2HB ASP 106 2HB ASP 106 7.142 -13.030 -4.604 788 H LYS 107 H LYS 107 11.319 -14.140 -2.861 789 HA LYS 107 HA LYS 107 12.850 -11.691 -2.948 790 1HB LYS 107 1HB LYS 107 13.261 -13.700 -1.432 791 2HB LYS 107 2HB LYS 107 14.690 -12.994 -2.179 792 1HG LYS 107 1HG LYS 107 14.576 -14.731 -3.965 793 2HG LYS 107 2HG LYS 107 13.200 -15.460 -3.138 794 1HD LYS 107 1HD LYS 107 14.515 -16.122 -1.293 795 2HD LYS 107 2HD LYS 107 15.803 -14.985 -1.690 796 1HE LYS 107 1HE LYS 107 16.685 -16.352 -3.335 797 2HE LYS 107 2HE LYS 107 15.127 -17.089 -3.706 798 1HZ LYS 107 1HZ LYS 107 15.233 -18.361 -1.701 799 2HZ LYS 107 2HZ LYS 107 16.650 -17.566 -1.202 800 3HZ LYS 107 3HZ LYS 107 16.682 -18.596 -2.553 801 H ASN 108 H ASN 108 11.985 -13.855 -5.450 802 HA ASN 108 HA ASN 108 14.421 -13.399 -7.041 803 1HB ASN 108 1HB ASN 108 11.919 -14.595 -8.178 804 2HB ASN 108 2HB ASN 108 12.836 -15.519 -6.990 805 1HD2 ASN 108 1HD2 ASN 108 14.967 -16.290 -7.609 806 2HD2 ASN 108 2HD2 ASN 108 15.526 -16.197 -9.209 807 H ALA 109 H ALA 109 11.395 -11.842 -6.508 808 HA ALA 109 HA ALA 109 10.466 -9.923 -7.445 809 1HB ALA 109 1HB ALA 109 13.045 -9.390 -7.501 810 2HB ALA 109 2HB ALA 109 11.910 -8.364 -8.381 811 3HB ALA 109 3HB ALA 109 12.842 -9.589 -9.242 812 H ASP 110 H ASP 110 9.737 -12.395 -8.566 813 HA ASP 110 HA ASP 110 9.735 -12.015 -11.507 814 1HB ASP 110 1HB ASP 110 8.556 -14.220 -11.521 815 2HB ASP 110 2HB ASP 110 8.622 -14.234 -9.760 816 H GLY 111 H GLY 111 7.511 -12.005 -8.732 817 1HA GLY 111 1HA GLY 111 5.322 -11.099 -10.551 818 2HA GLY 111 2HA GLY 111 5.700 -10.194 -9.089 819 H PHE 112 H PHE 112 6.081 -13.614 -8.770 820 HA PHE 112 HA PHE 112 3.585 -13.705 -7.145 821 1HB PHE 112 1HB PHE 112 2.859 -15.766 -8.103 822 2HB PHE 112 2HB PHE 112 4.380 -15.988 -8.965 823 HD1 PHE 112 HD1 PHE 112 4.749 -14.999 -11.110 824 HD2 PHE 112 HD2 PHE 112 1.299 -13.911 -8.795 825 HE1 PHE 112 HE1 PHE 112 3.811 -13.803 -13.069 826 HE2 PHE 112 HE2 PHE 112 0.361 -12.714 -10.754 827 HZ PHE 112 HZ PHE 112 1.617 -12.662 -12.891 828 H ILE 113 H ILE 113 3.617 -15.487 -5.565 829 HA ILE 113 HA ILE 113 6.395 -16.074 -4.671 830 HB ILE 113 HB ILE 113 3.702 -16.165 -3.282 831 1HG1 ILE 113 1HG1 ILE 113 6.262 -14.580 -2.934 832 2HG1 ILE 113 2HG1 ILE 113 5.016 -14.646 -1.690 833 1HG2 ILE 113 1HG2 ILE 113 6.368 -17.309 -2.415 834 2HG2 ILE 113 2HG2 ILE 113 4.791 -18.099 -2.420 835 3HG2 ILE 113 3HG2 ILE 113 5.137 -16.830 -1.246 836 1HD1 ILE 113 1HD1 ILE 113 4.309 -12.776 -2.843 837 2HD1 ILE 113 2HD1 ILE 113 3.439 -14.020 -3.742 838 3HD1 ILE 113 3HD1 ILE 113 4.942 -13.357 -4.383 839 H ASP 114 H ASP 114 7.213 -18.060 -5.126 840 HA ASP 114 HA ASP 114 5.363 -20.220 -5.975 841 1HB ASP 114 1HB ASP 114 7.289 -21.344 -6.851 842 2HB ASP 114 2HB ASP 114 8.389 -20.342 -5.908 843 H ILE 115 H ILE 115 5.547 -22.368 -4.994 844 HA ILE 115 HA ILE 115 5.681 -22.294 -2.128 845 HB ILE 115 HB ILE 115 4.349 -23.876 -3.653 846 1HG1 ILE 115 1HG1 ILE 115 4.073 -25.326 -1.879 847 2HG1 ILE 115 2HG1 ILE 115 4.853 -23.977 -1.072 848 1HG2 ILE 115 1HG2 ILE 115 6.974 -25.391 -3.600 849 2HG2 ILE 115 2HG2 ILE 115 6.242 -24.654 -5.025 850 3HG2 ILE 115 3HG2 ILE 115 5.440 -26.002 -4.220 851 1HD1 ILE 115 1HD1 ILE 115 6.322 -25.531 -0.309 852 2HD1 ILE 115 2HD1 ILE 115 7.015 -25.461 -1.927 853 3HD1 ILE 115 3HD1 ILE 115 5.842 -26.712 -1.525 854 H GLU 116 H GLU 116 7.988 -23.233 -4.634 855 HA GLU 116 HA GLU 116 9.896 -24.553 -2.982 856 1HB GLU 116 1HB GLU 116 10.053 -24.635 -5.425 857 2HB GLU 116 2HB GLU 116 11.544 -23.979 -4.757 858 1HG GLU 116 1HG GLU 116 11.112 -21.836 -5.541 859 2HG GLU 116 2HG GLU 116 9.365 -22.067 -5.518 860 H GLU 117 H GLU 117 9.583 -21.082 -3.828 861 HA GLU 117 HA GLU 117 11.876 -20.235 -2.315 862 1HB GLU 117 1HB GLU 117 9.739 -18.248 -2.454 863 2HB GLU 117 2HB GLU 117 10.040 -19.006 -4.017 864 1HG GLU 117 1HG GLU 117 11.500 -17.068 -3.789 865 2HG GLU 117 2HG GLU 117 12.483 -18.529 -3.715 866 H LEU 118 H LEU 118 8.388 -20.398 -1.506 867 HA LEU 118 HA LEU 118 8.605 -19.299 1.122 868 1HB LEU 118 1HB LEU 118 6.633 -21.441 0.296 869 2HB LEU 118 2HB LEU 118 6.462 -19.750 -0.181 870 HG LEU 118 HG LEU 118 6.942 -20.342 2.716 871 1HD1 LEU 118 1HD1 LEU 118 5.243 -18.437 2.853 872 2HD1 LEU 118 2HD1 LEU 118 5.367 -18.324 1.098 873 3HD1 LEU 118 3HD1 LEU 118 6.787 -18.035 2.103 874 1HD2 LEU 118 1HD2 LEU 118 5.220 -21.985 2.125 875 2HD2 LEU 118 2HD2 LEU 118 4.284 -20.740 1.300 876 3HD2 LEU 118 3HD2 LEU 118 4.493 -20.672 3.050 877 H GLY 119 H GLY 119 8.827 -22.688 -0.009 878 1HA GLY 119 1HA GLY 119 9.829 -24.548 1.013 879 2HA GLY 119 2HA GLY 119 9.013 -23.999 2.472 880 H GLU 120 H GLU 120 11.659 -22.486 0.579 881 HA GLU 120 HA GLU 120 13.729 -23.117 2.485 882 1HB GLU 120 1HB GLU 120 14.849 -21.050 1.343 883 2HB GLU 120 2HB GLU 120 13.478 -21.133 0.236 884 1HG GLU 120 1HG GLU 120 14.660 -23.762 0.707 885 2HG GLU 120 2HG GLU 120 15.839 -22.622 0.061 886 H ILE 121 H ILE 121 11.589 -20.297 2.058 887 HA ILE 121 HA ILE 121 12.778 -18.606 4.017 888 HB ILE 121 HB ILE 121 9.873 -18.844 3.160 889 1HG1 ILE 121 1HG1 ILE 121 11.815 -18.201 1.510 890 2HG1 ILE 121 2HG1 ILE 121 11.807 -16.669 2.382 891 1HG2 ILE 121 1HG2 ILE 121 11.328 -16.807 4.860 892 2HG2 ILE 121 2HG2 ILE 121 9.849 -17.687 5.245 893 3HG2 ILE 121 3HG2 ILE 121 9.828 -16.422 4.016 894 1HD1 ILE 121 1HD1 ILE 121 10.011 -16.004 1.198 895 2HD1 ILE 121 2HD1 ILE 121 9.093 -17.381 1.805 896 3HD1 ILE 121 3HD1 ILE 121 10.028 -17.532 0.319 897 H LEU 122 H LEU 122 10.216 -21.094 4.343 898 HA LEU 122 HA LEU 122 9.857 -20.675 7.183 899 1HB LEU 122 1HB LEU 122 8.935 -23.151 6.924 900 2HB LEU 122 2HB LEU 122 9.055 -22.779 5.205 901 HG LEU 122 HG LEU 122 7.875 -20.505 6.087 902 1HD1 LEU 122 1HD1 LEU 122 6.093 -21.230 4.853 903 2HD1 LEU 122 2HD1 LEU 122 5.984 -22.762 5.719 904 3HD1 LEU 122 3HD1 LEU 122 7.187 -22.552 4.446 905 1HD2 LEU 122 1HD2 LEU 122 7.171 -22.712 8.020 906 2HD2 LEU 122 2HD2 LEU 122 6.023 -21.421 7.667 907 3HD2 LEU 122 3HD2 LEU 122 7.594 -21.036 8.369 908 NH1 ARG 123 NH1 ARG 123 14.374 -29.552 7.152 909 NH2 ARG 123 NH2 ARG 123 12.866 -28.435 8.423 910 H ARG 123 H ARG 123 11.925 -22.842 5.265 911 HA ARG 123 HA ARG 123 12.907 -24.348 7.534 912 1HB ARG 123 1HB ARG 123 14.817 -24.864 5.844 913 2HB ARG 123 2HB ARG 123 13.826 -23.975 4.687 914 1HG ARG 123 1HG ARG 123 12.473 -25.758 4.423 915 2HG ARG 123 2HG ARG 123 12.167 -25.822 6.158 916 1HD ARG 123 1HD ARG 123 14.700 -26.924 4.928 917 2HD ARG 123 2HD ARG 123 13.244 -27.901 5.109 918 HE ARG 123 HE ARG 123 14.635 -26.634 7.439 919 1HH1 ARG 123 1HH1 ARG 123 14.108 -30.412 7.588 920 2HH1 ARG 123 2HH1 ARG 123 15.085 -29.549 6.448 921 1HH2 ARG 123 1HH2 ARG 123 12.424 -27.578 8.691 922 2HH2 ARG 123 2HH2 ARG 123 12.598 -29.293 8.863 923 H ALA 124 H ALA 124 14.031 -21.435 5.830 924 HA ALA 124 HA ALA 124 16.584 -21.187 7.055 925 1HB ALA 124 1HB ALA 124 14.650 -19.197 5.884 926 2HB ALA 124 2HB ALA 124 16.188 -19.758 5.231 927 3HB ALA 124 3HB ALA 124 16.164 -18.665 6.613 928 H THR 125 H THR 125 13.401 -20.609 8.418 929 HA THR 125 HA THR 125 14.148 -18.751 10.466 930 HB THR 125 HB THR 125 12.090 -19.394 11.592 931 HG1 THR 125 HG1 THR 125 11.136 -21.274 11.251 932 1HG2 THR 125 1HG2 THR 125 10.560 -18.826 9.903 933 2HG2 THR 125 2HG2 THR 125 11.456 -19.707 8.667 934 3HG2 THR 125 3HG2 THR 125 12.083 -18.183 9.291 935 H GLY 126 H GLY 126 14.124 -22.331 10.429 936 1HA GLY 126 1HA GLY 126 15.963 -22.252 12.775 937 2HA GLY 126 2HA GLY 126 15.835 -23.587 11.633 938 H GLU 127 H GLU 127 12.763 -22.347 12.542 939 HA GLU 127 HA GLU 127 12.376 -23.772 15.015 940 1HB GLU 127 1HB GLU 127 9.860 -23.585 14.085 941 2HB GLU 127 2HB GLU 127 10.629 -22.410 13.017 942 1HG GLU 127 1HG GLU 127 11.206 -20.996 14.771 943 2HG GLU 127 2HG GLU 127 11.230 -22.303 15.955 944 H HIS 128 H HIS 128 10.903 -25.672 15.262 945 HA HIS 128 HA HIS 128 11.594 -27.742 13.282 946 1HB HIS 128 1HB HIS 128 10.639 -29.313 14.908 947 2HB HIS 128 2HB HIS 128 10.014 -27.972 15.866 948 HD1 HIS 128 HD1 HIS 128 11.497 -27.297 17.745 949 HD2 HIS 128 HD2 HIS 128 13.677 -29.011 14.630 950 HE1 HIS 128 HE1 HIS 128 13.911 -27.355 18.506 951 H VAL 129 H VAL 129 10.232 -26.695 11.577 952 HA VAL 129 HA VAL 129 7.305 -27.077 11.965 953 HB VAL 129 HB VAL 129 7.958 -24.911 11.060 954 1HG1 VAL 129 1HG1 VAL 129 9.447 -26.600 9.060 955 2HG1 VAL 129 2HG1 VAL 129 10.031 -25.225 9.996 956 3HG1 VAL 129 3HG1 VAL 129 8.930 -24.966 8.644 957 1HG2 VAL 129 1HG2 VAL 129 6.497 -24.845 9.164 958 2HG2 VAL 129 2HG2 VAL 129 5.877 -26.110 10.223 959 3HG2 VAL 129 3HG2 VAL 129 6.806 -26.540 8.788 960 H ILE 130 H ILE 130 6.091 -28.240 10.341 961 HA ILE 130 HA ILE 130 7.695 -30.427 9.093 962 HB ILE 130 HB ILE 130 5.194 -31.390 8.928 963 1HG1 ILE 130 1HG1 ILE 130 4.382 -29.221 10.077 964 2HG1 ILE 130 2HG1 ILE 130 5.089 -29.889 11.548 965 1HG2 ILE 130 1HG2 ILE 130 7.049 -32.537 10.004 966 2HG2 ILE 130 2HG2 ILE 130 5.660 -32.560 11.091 967 3HG2 ILE 130 3HG2 ILE 130 6.983 -31.430 11.375 968 1HD1 ILE 130 1HD1 ILE 130 3.106 -31.406 9.832 969 2HD1 ILE 130 2HD1 ILE 130 2.622 -30.401 11.198 970 3HD1 ILE 130 3HD1 ILE 130 3.649 -31.811 11.461 971 H GLU 131 H GLU 131 7.388 -30.941 6.916 972 HA GLU 131 HA GLU 131 6.530 -28.805 5.174 973 1HB GLU 131 1HB GLU 131 7.567 -31.592 4.858 974 2HB GLU 131 2HB GLU 131 8.137 -30.096 4.124 975 1HG GLU 131 1HG GLU 131 6.100 -30.096 2.664 976 2HG GLU 131 2HG GLU 131 5.668 -31.666 3.341 977 H GLU 132 H GLU 132 4.986 -31.657 6.529 978 HA GLU 132 HA GLU 132 2.719 -31.760 4.768 979 1HB GLU 132 1HB GLU 132 1.633 -32.904 6.804 980 2HB GLU 132 2HB GLU 132 3.184 -32.685 7.611 981 1HG GLU 132 1HG GLU 132 3.184 -33.897 4.873 982 2HG GLU 132 2HG GLU 132 2.642 -34.899 6.220 983 H ASP 133 H ASP 133 3.497 -29.806 7.621 984 HA ASP 133 HA ASP 133 0.780 -28.744 7.877 985 1HB ASP 133 1HB ASP 133 3.372 -27.669 9.034 986 2HB ASP 133 2HB ASP 133 2.370 -28.898 9.807 987 H ILE 134 H ILE 134 3.882 -27.583 6.538 988 HA ILE 134 HA ILE 134 2.877 -24.996 5.746 989 HB ILE 134 HB ILE 134 5.230 -26.595 4.676 990 1HG1 ILE 134 1HG1 ILE 134 5.128 -25.919 7.176 991 2HG1 ILE 134 2HG1 ILE 134 5.297 -24.261 6.599 992 1HG2 ILE 134 1HG2 ILE 134 4.472 -23.671 4.382 993 2HG2 ILE 134 2HG2 ILE 134 4.582 -24.864 3.088 994 3HG2 ILE 134 3HG2 ILE 134 6.039 -24.342 3.932 995 1HD1 ILE 134 1HD1 ILE 134 7.344 -25.102 5.287 996 2HD1 ILE 134 2HD1 ILE 134 7.236 -26.560 6.274 997 3HD1 ILE 134 3HD1 ILE 134 7.519 -24.997 7.040 998 H GLU 135 H GLU 135 3.405 -28.034 3.911 999 HA GLU 135 HA GLU 135 2.452 -27.079 1.402 1000 1HB GLU 135 1HB GLU 135 1.969 -29.917 2.262 1001 2HB GLU 135 2HB GLU 135 3.623 -29.343 2.063 1002 1HG GLU 135 1HG GLU 135 1.509 -28.990 -0.076 1003 2HG GLU 135 2HG GLU 135 2.553 -30.409 -0.001 1004 H ASP 136 H ASP 136 0.669 -28.950 3.899 1005 HA ASP 136 HA ASP 136 -1.870 -28.883 2.647 1006 1HB ASP 136 1HB ASP 136 -1.430 -28.759 5.639 1007 2HB ASP 136 2HB ASP 136 -1.190 -30.231 4.697 1008 H LEU 137 H LEU 137 -0.292 -26.479 4.751 1009 HA LEU 137 HA LEU 137 -2.517 -24.771 5.192 1010 1HB LEU 137 1HB LEU 137 0.318 -23.809 4.739 1011 2HB LEU 137 2HB LEU 137 -0.182 -24.614 6.225 1012 HG LEU 137 HG LEU 137 -1.623 -22.191 5.129 1013 1HD1 LEU 137 1HD1 LEU 137 -2.937 -23.409 6.728 1014 2HD1 LEU 137 2HD1 LEU 137 -2.258 -22.030 7.591 1015 3HD1 LEU 137 3HD1 LEU 137 -1.549 -23.632 7.793 1016 1HD2 LEU 137 1HD2 LEU 137 0.450 -22.168 7.332 1017 2HD2 LEU 137 2HD2 LEU 137 -0.280 -20.787 6.511 1018 3HD2 LEU 137 3HD2 LEU 137 0.864 -21.821 5.653 1019 H MET 138 H MET 138 -0.220 -24.912 2.462 1020 HA MET 138 HA MET 138 -1.307 -22.638 1.062 1021 1HB MET 138 1HB MET 138 0.005 -24.949 -0.350 1022 2HB MET 138 2HB MET 138 0.956 -23.906 0.707 1023 1HG MET 138 1HG MET 138 0.341 -21.945 -0.588 1024 2HG MET 138 2HG MET 138 -0.778 -22.893 -1.566 1025 1HE MET 138 1HE MET 138 2.316 -21.089 -2.286 1026 2HE MET 138 2HE MET 138 0.719 -21.242 -3.012 1027 3HE MET 138 3HE MET 138 2.135 -21.811 -3.890 1028 H LYS 139 H LYS 139 -2.163 -26.061 1.178 1029 HA LYS 139 HA LYS 139 -3.845 -26.126 -1.153 1030 1HB LYS 139 1HB LYS 139 -4.717 -28.190 -0.296 1031 2HB LYS 139 2HB LYS 139 -4.286 -27.766 1.356 1032 1HG LYS 139 1HG LYS 139 -2.709 -29.416 0.427 1033 2HG LYS 139 2HG LYS 139 -1.889 -27.897 0.775 1034 1HD LYS 139 1HD LYS 139 -1.236 -27.761 -1.379 1035 2HD LYS 139 2HD LYS 139 -2.923 -27.761 -1.895 1036 1HE LYS 139 1HE LYS 139 -2.879 -29.973 -2.457 1037 2HE LYS 139 2HE LYS 139 -1.868 -30.402 -1.077 1038 1HZ LYS 139 1HZ LYS 139 -0.705 -30.692 -3.185 1039 2HZ LYS 139 2HZ LYS 139 0.048 -29.512 -2.223 1040 3HZ LYS 139 3HZ LYS 139 -0.916 -29.047 -3.543 1041 H ASP 140 H ASP 140 -4.411 -25.102 2.183 1042 HA ASP 140 HA ASP 140 -7.308 -24.786 1.728 1043 1HB ASP 140 1HB ASP 140 -7.271 -23.924 4.095 1044 2HB ASP 140 2HB ASP 140 -5.530 -24.198 4.113 1045 H SER 141 H SER 141 -4.404 -22.792 1.771 1046 HA SER 141 HA SER 141 -5.882 -20.275 1.921 1047 1HB SER 141 1HB SER 141 -3.563 -20.470 2.771 1048 2HB SER 141 2HB SER 141 -3.694 -19.232 1.528 1049 HG SER 141 HG SER 141 -2.498 -20.363 0.227 1050 H ASP 142 H ASP 142 -4.742 -22.410 -0.640 1051 HA ASP 142 HA ASP 142 -5.149 -20.361 -2.717 1052 1HB ASP 142 1HB ASP 142 -4.973 -23.009 -3.812 1053 2HB ASP 142 2HB ASP 142 -3.755 -22.842 -2.549 1054 H LYS 143 H LYS 143 -7.274 -19.821 -3.010 1055 HA LYS 143 HA LYS 143 -9.470 -21.668 -2.624 1056 1HB LYS 143 1HB LYS 143 -10.790 -19.829 -3.813 1057 2HB LYS 143 2HB LYS 143 -9.270 -18.941 -3.920 1058 1HG LYS 143 1HG LYS 143 -9.285 -19.680 -1.277 1059 2HG LYS 143 2HG LYS 143 -11.006 -19.442 -1.582 1060 1HD LYS 143 1HD LYS 143 -9.042 -17.389 -2.559 1061 2HD LYS 143 2HD LYS 143 -9.499 -17.400 -0.856 1062 1HE LYS 143 1HE LYS 143 -11.720 -17.613 -2.830 1063 2HE LYS 143 2HE LYS 143 -10.900 -16.055 -2.737 1064 1HZ LYS 143 1HZ LYS 143 -11.303 -16.001 -0.369 1065 2HZ LYS 143 2HZ LYS 143 -12.049 -17.527 -0.425 1066 3HZ LYS 143 3HZ LYS 143 -12.769 -16.197 -1.197 1067 H ASN 144 H ASN 144 -7.733 -20.464 -5.493 1068 HA ASN 144 HA ASN 144 -9.377 -22.192 -7.254 1069 1HB ASN 144 1HB ASN 144 -7.023 -20.527 -8.145 1070 2HB ASN 144 2HB ASN 144 -8.581 -19.772 -7.803 1071 1HD2 ASN 144 1HD2 ASN 144 -6.811 -21.028 -10.330 1072 2HD2 ASN 144 2HD2 ASN 144 -8.080 -21.503 -11.352 1073 H ASN 145 H ASN 145 -6.203 -22.058 -5.766 1074 HA ASN 145 HA ASN 145 -4.486 -23.623 -5.653 1075 1HB ASN 145 1HB ASN 145 -6.176 -25.683 -7.034 1076 2HB ASN 145 2HB ASN 145 -6.652 -25.129 -5.430 1077 1HD2 ASN 145 1HD2 ASN 145 -5.101 -25.508 -3.637 1078 2HD2 ASN 145 2HD2 ASN 145 -3.886 -26.685 -3.788 1079 H ASP 146 H ASP 146 -3.432 -22.269 -7.306 1080 HA ASP 146 HA ASP 146 -3.413 -23.495 -10.031 1081 1HB ASP 146 1HB ASP 146 -2.001 -20.927 -9.526 1082 2HB ASP 146 2HB ASP 146 -3.760 -20.887 -9.394 1083 H GLY 147 H GLY 147 -1.412 -22.727 -7.233 1084 1HA GLY 147 1HA GLY 147 0.978 -23.823 -8.645 1085 2HA GLY 147 2HA GLY 147 0.501 -24.464 -7.073 1086 NH1 ARG 148 NH1 ARG 148 4.764 -23.496 -10.962 1087 NH2 ARG 148 NH2 ARG 148 6.487 -22.077 -10.567 1088 H ARG 148 H ARG 148 0.546 -21.104 -8.287 1089 HA ARG 148 HA ARG 148 2.526 -20.435 -6.152 1090 1HB ARG 148 1HB ARG 148 2.937 -18.402 -7.644 1091 2HB ARG 148 2HB ARG 148 1.973 -19.225 -8.867 1092 1HG ARG 148 1HG ARG 148 4.258 -20.642 -7.522 1093 2HG ARG 148 2HG ARG 148 4.559 -19.549 -8.870 1094 1HD ARG 148 1HD ARG 148 2.416 -21.098 -9.743 1095 2HD ARG 148 2HD ARG 148 3.444 -22.247 -8.890 1096 HE ARG 148 HE ARG 148 4.343 -20.575 -11.198 1097 1HH1 ARG 148 1HH1 ARG 148 7.134 -22.832 -10.679 1098 2HH1 ARG 148 2HH1 ARG 148 6.822 -21.158 -10.360 1099 1HH2 ARG 148 1HH2 ARG 148 3.782 -23.660 -11.058 1100 2HH2 ARG 148 2HH2 ARG 148 5.410 -24.251 -11.074 1101 H ILE 149 H ILE 149 2.297 -18.057 -5.450 1102 HA ILE 149 HA ILE 149 -0.614 -17.440 -5.075 1103 HB ILE 149 HB ILE 149 1.750 -16.778 -3.283 1104 1HG1 ILE 149 1HG1 ILE 149 0.686 -19.187 -3.434 1105 2HG1 ILE 149 2HG1 ILE 149 -0.634 -18.452 -2.524 1106 1HG2 ILE 149 1HG2 ILE 149 -0.209 -16.099 -1.726 1107 2HG2 ILE 149 2HG2 ILE 149 -1.175 -16.029 -3.199 1108 3HG2 ILE 149 3HG2 ILE 149 0.231 -14.982 -3.017 1109 1HD1 ILE 149 1HD1 ILE 149 0.887 -19.358 -0.904 1110 2HD1 ILE 149 2HD1 ILE 149 1.132 -17.611 -0.889 1111 3HD1 ILE 149 3HD1 ILE 149 2.280 -18.656 -1.726 1112 H ASP 150 H ASP 150 -1.315 -15.510 -5.879 1113 HA ASP 150 HA ASP 150 0.758 -13.638 -6.937 1114 1HB ASP 150 1HB ASP 150 -0.612 -14.158 -8.752 1115 2HB ASP 150 2HB ASP 150 -1.339 -12.669 -8.166 1116 H PHE 151 H PHE 151 -0.068 -11.274 -6.956 1117 HA PHE 151 HA PHE 151 -0.395 -10.434 -4.228 1118 1HB PHE 151 1HB PHE 151 -0.857 -8.772 -6.721 1119 2HB PHE 151 2HB PHE 151 0.738 -9.113 -6.052 1120 HD1 PHE 151 HD1 PHE 151 -1.529 -6.602 -6.237 1121 HD2 PHE 151 HD2 PHE 151 0.548 -8.859 -3.228 1122 HE1 PHE 151 HE1 PHE 151 -1.807 -4.732 -4.640 1123 HE2 PHE 151 HE2 PHE 151 0.266 -6.984 -1.629 1124 HZ PHE 151 HZ PHE 151 -0.914 -4.921 -2.336 1125 H ASP 152 H ASP 152 -2.704 -10.986 -6.843 1126 HA ASP 152 HA ASP 152 -4.922 -9.559 -5.715 1127 1HB ASP 152 1HB ASP 152 -6.315 -11.110 -7.124 1128 2HB ASP 152 2HB ASP 152 -4.845 -11.998 -7.515 1129 H GLU 153 H GLU 153 -4.179 -13.077 -5.594 1130 HA GLU 153 HA GLU 153 -6.179 -13.633 -3.583 1131 1HB GLU 153 1HB GLU 153 -3.695 -15.293 -4.045 1132 2HB GLU 153 2HB GLU 153 -5.027 -15.293 -5.201 1133 1HG GLU 153 1HG GLU 153 -6.547 -15.823 -3.192 1134 2HG GLU 153 2HG GLU 153 -5.063 -16.170 -2.304 1135 H PHE 154 H PHE 154 -2.876 -12.475 -3.465 1136 HA PHE 154 HA PHE 154 -2.121 -13.187 -0.831 1137 1HB PHE 154 1HB PHE 154 -1.511 -10.568 -2.238 1138 2HB PHE 154 2HB PHE 154 -0.638 -12.074 -2.518 1139 HD1 PHE 154 HD1 PHE 154 -0.628 -9.085 -0.667 1140 HD2 PHE 154 HD2 PHE 154 0.160 -13.289 -0.260 1141 HE1 PHE 154 HE1 PHE 154 0.798 -8.633 1.308 1142 HE2 PHE 154 HE2 PHE 154 1.586 -12.832 1.713 1143 HZ PHE 154 HZ PHE 154 1.906 -10.502 2.497 1144 H LEU 155 H LEU 155 -4.348 -10.691 -1.959 1145 HA LEU 155 HA LEU 155 -4.508 -9.081 0.372 1146 1HB LEU 155 1HB LEU 155 -6.764 -8.470 -0.422 1147 2HB LEU 155 2HB LEU 155 -6.747 -9.833 -1.538 1148 HG LEU 155 HG LEU 155 -4.610 -8.806 -2.521 1149 1HD1 LEU 155 1HD1 LEU 155 -7.331 -7.509 -2.715 1150 2HD1 LEU 155 2HD1 LEU 155 -6.583 -8.654 -3.829 1151 3HD1 LEU 155 3HD1 LEU 155 -5.987 -6.997 -3.735 1152 1HD2 LEU 155 1HD2 LEU 155 -4.467 -6.310 -2.158 1153 2HD2 LEU 155 2HD2 LEU 155 -4.035 -7.270 -0.743 1154 3HD2 LEU 155 3HD2 LEU 155 -5.617 -6.496 -0.835 1155 H LYS 156 H LYS 156 -6.750 -11.746 -0.537 1156 HA LYS 156 HA LYS 156 -7.881 -11.912 2.124 1157 1HB LYS 156 1HB LYS 156 -7.933 -14.124 0.066 1158 2HB LYS 156 2HB LYS 156 -8.939 -12.685 -0.095 1159 1HG LYS 156 1HG LYS 156 -9.030 -13.929 2.580 1160 2HG LYS 156 2HG LYS 156 -9.659 -14.951 1.288 1161 1HD LYS 156 1HD LYS 156 -10.843 -12.636 0.599 1162 2HD LYS 156 2HD LYS 156 -10.688 -12.354 2.333 1163 1HE LYS 156 1HE LYS 156 -12.155 -14.046 2.872 1164 2HE LYS 156 2HE LYS 156 -11.696 -15.030 1.484 1165 1HZ LYS 156 1HZ LYS 156 -12.883 -13.448 0.056 1166 2HZ LYS 156 2HZ LYS 156 -13.386 -12.587 1.432 1167 3HZ LYS 156 3HZ LYS 156 -13.911 -14.184 1.186 1168 H MET 157 H MET 157 -5.072 -13.318 0.593 1169 HA MET 157 HA MET 157 -4.711 -15.613 2.252 1170 1HB MET 157 1HB MET 157 -2.212 -14.280 1.519 1171 2HB MET 157 2HB MET 157 -3.323 -14.414 0.156 1172 1HG MET 157 1HG MET 157 -3.126 -16.679 0.064 1173 2HG MET 157 2HG MET 157 -3.133 -16.846 1.819 1174 1HE MET 157 1HE MET 157 -0.954 -15.350 3.076 1175 2HE MET 157 2HE MET 157 0.385 -16.491 2.989 1176 3HE MET 157 3HE MET 157 -1.250 -17.082 3.277 1177 H MET 158 H MET 158 -3.726 -12.213 2.697 1178 HA MET 158 HA MET 158 -2.660 -12.906 5.391 1179 1HB MET 158 1HB MET 158 -2.440 -10.104 4.554 1180 2HB MET 158 2HB MET 158 -1.694 -11.218 3.408 1181 1HG MET 158 1HG MET 158 0.086 -11.049 4.836 1182 2HG MET 158 2HG MET 158 -0.798 -12.275 5.742 1183 1HE MET 158 1HE MET 158 0.968 -9.289 7.880 1184 2HE MET 158 2HE MET 158 1.389 -10.264 6.474 1185 3HE MET 158 3HE MET 158 0.868 -11.053 7.961 1186 H GLU 159 H GLU 159 -5.624 -12.563 4.501 1187 HA GLU 159 HA GLU 159 -6.588 -10.189 5.841 1188 1HB GLU 159 1HB GLU 159 -8.460 -12.453 5.701 1189 2HB GLU 159 2HB GLU 159 -7.704 -12.072 4.155 1190 1HG GLU 159 1HG GLU 159 -8.728 -9.796 5.801 1191 2HG GLU 159 2HG GLU 159 -9.913 -10.812 4.982 1192 H GLY 160 H GLY 160 -6.251 -13.609 6.813 1193 1HA GLY 160 1HA GLY 160 -7.440 -13.245 9.424 1194 2HA GLY 160 2HA GLY 160 -5.681 -13.143 9.513 1195 H VAL 161 H VAL 161 -4.488 -15.026 8.482 1196 HA VAL 161 HA VAL 161 -6.080 -17.549 8.626 1197 HB VAL 161 HB VAL 161 -4.968 -17.120 6.464 1198 1HG1 VAL 161 1HG1 VAL 161 -3.055 -15.863 6.820 1199 2HG1 VAL 161 2HG1 VAL 161 -2.348 -17.463 6.613 1200 3HG1 VAL 161 3HG1 VAL 161 -2.569 -16.800 8.231 1201 1HG2 VAL 161 1HG2 VAL 161 -3.314 -19.325 7.587 1202 2HG2 VAL 161 2HG2 VAL 161 -4.368 -19.315 6.174 1203 3HG2 VAL 161 3HG2 VAL 161 -5.061 -19.466 7.788 1204 H GLN 162 H GLN 162 -5.630 -16.737 11.081 1205 HA GLN 162 HA GLN 162 -3.025 -17.599 12.120 1206 1HB GLN 162 1HB GLN 162 -4.354 -17.274 14.366 1207 2HB GLN 162 2HB GLN 162 -5.551 -16.500 13.327 1208 1HG GLN 162 1HG GLN 162 -4.167 -14.705 13.961 1209 2HG GLN 162 2HG GLN 162 -3.520 -15.162 12.385 1210 1HE2 GLN 162 1HE2 GLN 162 -1.362 -15.997 12.314 1211 2HE2 GLN 162 2HE2 GLN 162 -0.389 -16.174 13.694 Start of MODEL 5 Raw file had 1211 H/Q atoms Start of MODEL 5 1 1H ALA 1 1H ALA 1 -33.567 13.489 -2.302 2 2H ALA 1 2H ALA 1 -34.591 12.310 -1.632 3 3H ALA 1 3H ALA 1 -35.231 13.526 -2.631 4 HA ALA 1 HA ALA 1 -35.059 11.400 -3.797 5 1HB ALA 1 1HB ALA 1 -34.754 13.701 -4.904 6 2HB ALA 1 2HB ALA 1 -34.141 12.307 -5.794 7 3HB ALA 1 3HB ALA 1 -33.026 13.345 -4.904 8 H SER 2 H SER 2 -33.913 9.526 -4.043 9 HA SER 2 HA SER 2 -31.170 9.424 -2.886 10 1HB SER 2 1HB SER 2 -32.798 7.033 -3.752 11 2HB SER 2 2HB SER 2 -33.106 7.822 -2.208 12 HG SER 2 HG SER 2 -31.025 6.224 -2.955 13 H MET 3 H MET 3 -31.052 10.691 -5.247 14 HA MET 3 HA MET 3 -30.414 8.660 -7.330 15 1HB MET 3 1HB MET 3 -31.901 10.470 -8.045 16 2HB MET 3 2HB MET 3 -30.360 10.582 -8.893 17 1HG MET 3 1HG MET 3 -29.763 12.151 -6.804 18 2HG MET 3 2HG MET 3 -31.512 12.374 -6.798 19 1HE MET 3 1HE MET 3 -28.312 14.163 -8.594 20 2HE MET 3 2HE MET 3 -28.440 13.077 -9.974 21 3HE MET 3 3HE MET 3 -28.318 12.410 -8.349 22 H THR 4 H THR 4 -28.860 10.834 -5.099 23 HA THR 4 HA THR 4 -26.328 10.818 -6.633 24 HB THR 4 HB THR 4 -25.487 12.187 -4.687 25 HG1 THR 4 HG1 THR 4 -26.736 11.850 -3.004 26 1HG2 THR 4 1HG2 THR 4 -26.633 14.192 -5.385 27 2HG2 THR 4 2HG2 THR 4 -28.017 13.261 -5.957 28 3HG2 THR 4 3HG2 THR 4 -26.469 13.148 -6.796 29 H ASP 5 H ASP 5 -26.798 8.245 -6.145 30 HA ASP 5 HA ASP 5 -25.782 7.361 -3.559 31 1HB ASP 5 1HB ASP 5 -27.215 5.810 -4.717 32 2HB ASP 5 2HB ASP 5 -25.601 5.106 -4.725 33 H GLN 6 H GLN 6 -24.444 7.634 -6.851 34 HA GLN 6 HA GLN 6 -21.769 6.809 -6.092 35 1HB GLN 6 1HB GLN 6 -22.210 6.543 -8.399 36 2HB GLN 6 2HB GLN 6 -21.178 7.968 -8.339 37 1HG GLN 6 1HG GLN 6 -23.409 9.306 -8.222 38 2HG GLN 6 2HG GLN 6 -24.152 7.818 -8.806 39 1HE2 GLN 6 1HE2 GLN 6 -22.692 10.689 -9.849 40 2HE2 GLN 6 2HE2 GLN 6 -22.294 10.209 -11.427 41 H GLN 7 H GLN 7 -23.410 9.947 -6.451 42 HA GLN 7 HA GLN 7 -21.046 11.550 -6.007 43 1HB GLN 7 1HB GLN 7 -22.888 13.306 -5.377 44 2HB GLN 7 2HB GLN 7 -24.010 12.075 -5.955 45 1HG GLN 7 1HG GLN 7 -22.395 11.998 -8.036 46 2HG GLN 7 2HG GLN 7 -21.916 13.601 -7.478 47 1HE2 GLN 7 1HE2 GLN 7 -24.612 11.712 -8.808 48 2HE2 GLN 7 2HE2 GLN 7 -25.609 13.045 -9.143 49 H ALA 8 H ALA 8 -23.666 10.398 -3.860 50 HA ALA 8 HA ALA 8 -22.651 11.721 -1.498 51 1HB ALA 8 1HB ALA 8 -24.977 10.902 -1.668 52 2HB ALA 8 2HB ALA 8 -24.161 10.227 -0.258 53 3HB ALA 8 3HB ALA 8 -24.385 9.241 -1.702 54 H GLU 9 H GLU 9 -21.398 9.065 -3.238 55 HA GLU 9 HA GLU 9 -20.084 7.918 -0.826 56 1HB GLU 9 1HB GLU 9 -19.256 6.219 -2.618 57 2HB GLU 9 2HB GLU 9 -20.493 6.935 -3.651 58 1HG GLU 9 1HG GLU 9 -22.244 6.254 -2.216 59 2HG GLU 9 2HG GLU 9 -21.149 5.984 -0.861 60 H ALA 10 H ALA 10 -19.314 9.156 -4.091 61 HA ALA 10 HA ALA 10 -16.464 9.203 -3.709 62 1HB ALA 10 1HB ALA 10 -18.188 10.926 -5.520 63 2HB ALA 10 2HB ALA 10 -17.521 9.350 -5.946 64 3HB ALA 10 3HB ALA 10 -16.443 10.716 -5.658 65 NH1 ARG 11 NH1 ARG 11 -22.204 17.783 0.474 66 NH2 ARG 11 NH2 ARG 11 -20.004 18.052 0.948 67 H ARG 11 H ARG 11 -19.068 11.332 -2.731 68 HA ARG 11 HA ARG 11 -17.457 13.675 -2.212 69 1HB ARG 11 1HB ARG 11 -20.198 12.720 -1.415 70 2HB ARG 11 2HB ARG 11 -19.750 14.139 -2.356 71 1HG ARG 11 1HG ARG 11 -18.780 15.149 -0.283 72 2HG ARG 11 2HG ARG 11 -19.371 13.755 0.622 73 1HD ARG 11 1HD ARG 11 -21.670 14.282 0.024 74 2HD ARG 11 2HD ARG 11 -21.133 15.582 -1.038 75 HE ARG 11 HE ARG 11 -20.865 15.648 1.942 76 1HH1 ARG 11 1HH1 ARG 11 -20.089 19.036 0.787 77 2HH1 ARG 11 2HH1 ARG 11 -19.120 17.664 1.210 78 1HH2 ARG 11 1HH2 ARG 11 -23.003 17.188 0.373 79 2HH2 ARG 11 2HH2 ARG 11 -22.292 18.767 0.312 80 H ALA 12 H ALA 12 -18.591 10.948 -0.196 81 HA ALA 12 HA ALA 12 -17.269 11.856 2.216 82 1HB ALA 12 1HB ALA 12 -18.255 9.104 1.403 83 2HB ALA 12 2HB ALA 12 -19.151 10.303 2.336 84 3HB ALA 12 3HB ALA 12 -17.719 9.541 3.026 85 H PHE 13 H PHE 13 -16.054 10.467 -0.673 86 HA PHE 13 HA PHE 13 -13.920 8.845 0.347 87 1HB PHE 13 1HB PHE 13 -13.900 10.446 -2.226 88 2HB PHE 13 2HB PHE 13 -14.769 8.925 -2.044 89 HD1 PHE 13 HD1 PHE 13 -11.691 10.399 -2.966 90 HD2 PHE 13 HD2 PHE 13 -13.334 6.922 -1.049 91 HE1 PHE 13 HE1 PHE 13 -9.601 9.152 -3.436 92 HE2 PHE 13 HE2 PHE 13 -11.242 5.676 -1.518 93 HZ PHE 13 HZ PHE 13 -9.375 6.791 -2.711 94 H LEU 14 H LEU 14 -14.228 12.337 -0.126 95 HA LEU 14 HA LEU 14 -11.461 12.643 0.974 96 1HB LEU 14 1HB LEU 14 -11.123 13.737 -1.016 97 2HB LEU 14 2HB LEU 14 -11.851 15.074 -0.129 98 HG LEU 14 HG LEU 14 -14.108 13.997 -1.049 99 1HD1 LEU 14 1HD1 LEU 14 -12.659 16.225 -1.618 100 2HD1 LEU 14 2HD1 LEU 14 -14.180 15.821 -2.413 101 3HD1 LEU 14 3HD1 LEU 14 -12.646 15.426 -3.190 102 1HD2 LEU 14 1HD2 LEU 14 -12.482 13.457 -3.471 103 2HD2 LEU 14 2HD2 LEU 14 -13.926 12.637 -2.880 104 3HD2 LEU 14 3HD2 LEU 14 -12.350 12.255 -2.187 105 H SER 15 H SER 15 -11.284 13.804 2.835 106 HA SER 15 HA SER 15 -13.663 14.506 4.318 107 1HB SER 15 1HB SER 15 -11.589 13.774 5.435 108 2HB SER 15 2HB SER 15 -12.071 15.367 6.006 109 HG SER 15 HG SER 15 -9.875 14.622 4.525 110 H GLU 16 H GLU 16 -13.883 16.784 5.309 111 HA GLU 16 HA GLU 16 -14.332 18.706 3.260 112 1HB GLU 16 1HB GLU 16 -13.839 19.872 5.911 113 2HB GLU 16 2HB GLU 16 -14.961 18.511 5.948 114 1HG GLU 16 1HG GLU 16 -15.788 19.935 3.717 115 2HG GLU 16 2HG GLU 16 -15.320 21.209 4.842 116 H GLU 17 H GLU 17 -11.470 18.032 5.191 117 HA GLU 17 HA GLU 17 -10.079 20.502 4.671 118 1HB GLU 17 1HB GLU 17 -8.333 18.169 4.891 119 2HB GLU 17 2HB GLU 17 -9.568 18.177 6.148 120 1HG GLU 17 1HG GLU 17 -7.927 20.635 5.505 121 2HG GLU 17 2HG GLU 17 -7.381 19.427 6.667 122 H MET 18 H MET 18 -10.044 17.301 3.074 123 HA MET 18 HA MET 18 -8.238 18.048 0.961 124 1HB MET 18 1HB MET 18 -10.157 16.075 0.090 125 2HB MET 18 2HB MET 18 -9.657 15.719 1.739 126 1HG MET 18 1HG MET 18 -7.572 16.432 -0.301 127 2HG MET 18 2HG MET 18 -8.242 14.801 -0.287 128 1HE MET 18 1HE MET 18 -7.675 13.121 0.861 129 2HE MET 18 2HE MET 18 -6.546 12.956 2.203 130 3HE MET 18 3HE MET 18 -5.946 13.401 0.607 131 H ILE 19 H ILE 19 -11.789 17.872 1.148 132 HA ILE 19 HA ILE 19 -12.414 18.744 -1.474 133 HB ILE 19 HB ILE 19 -13.895 19.242 1.130 134 1HG1 ILE 19 1HG1 ILE 19 -13.409 16.843 0.198 135 2HG1 ILE 19 2HG1 ILE 19 -14.617 17.255 -1.020 136 1HG2 ILE 19 1HG2 ILE 19 -14.761 20.825 -0.436 137 2HG2 ILE 19 2HG2 ILE 19 -15.882 19.465 -0.472 138 3HG2 ILE 19 3HG2 ILE 19 -14.694 19.662 -1.761 139 1HD1 ILE 19 1HD1 ILE 19 -15.049 17.395 1.981 140 2HD1 ILE 19 2HD1 ILE 19 -15.624 16.098 0.935 141 3HD1 ILE 19 3HD1 ILE 19 -16.257 17.731 0.741 142 H ALA 20 H ALA 20 -11.525 20.633 1.400 143 HA ALA 20 HA ALA 20 -12.183 23.225 0.387 144 1HB ALA 20 1HB ALA 20 -11.497 22.571 2.779 145 2HB ALA 20 2HB ALA 20 -10.862 24.094 2.158 146 3HB ALA 20 3HB ALA 20 -9.833 22.662 2.201 147 H GLU 21 H GLU 21 -9.117 21.378 0.266 148 HA GLU 21 HA GLU 21 -7.653 23.355 -1.218 149 1HB GLU 21 1HB GLU 21 -6.374 21.117 -1.942 150 2HB GLU 21 2HB GLU 21 -7.320 20.441 -0.617 151 1HG GLU 21 1HG GLU 21 -5.623 22.941 -0.351 152 2HG GLU 21 2HG GLU 21 -5.040 21.327 0.050 153 H PHE 22 H PHE 22 -9.728 20.639 -2.196 154 HA PHE 22 HA PHE 22 -9.175 20.872 -5.031 155 1HB PHE 22 1HB PHE 22 -11.107 19.426 -5.347 156 2HB PHE 22 2HB PHE 22 -11.671 19.754 -3.713 157 HD1 PHE 22 HD1 PHE 22 -8.115 19.179 -4.674 158 HD2 PHE 22 HD2 PHE 22 -11.634 17.523 -2.846 159 HE1 PHE 22 HE1 PHE 22 -6.780 17.269 -3.832 160 HE2 PHE 22 HE2 PHE 22 -10.295 15.616 -2.004 161 HZ PHE 22 HZ PHE 22 -7.870 15.488 -2.497 162 H LYS 23 H LYS 23 -11.371 22.485 -2.799 163 HA LYS 23 HA LYS 23 -13.172 23.598 -4.742 164 1HB LYS 23 1HB LYS 23 -12.485 25.101 -2.243 165 2HB LYS 23 2HB LYS 23 -13.247 23.519 -2.084 166 1HG LYS 23 1HG LYS 23 -14.876 24.516 -3.944 167 2HG LYS 23 2HG LYS 23 -14.340 26.048 -3.253 168 1HD LYS 23 1HD LYS 23 -15.291 23.799 -1.481 169 2HD LYS 23 2HD LYS 23 -16.441 24.906 -2.229 170 1HE LYS 23 1HE LYS 23 -14.071 26.043 -0.780 171 2HE LYS 23 2HE LYS 23 -15.431 25.435 0.164 172 1HZ LYS 23 1HZ LYS 23 -15.634 27.437 -2.022 173 2HZ LYS 23 2HZ LYS 23 -15.648 27.799 -0.363 174 3HZ LYS 23 3HZ LYS 23 -16.908 26.886 -1.046 175 H ALA 24 H ALA 24 -10.004 24.625 -3.522 176 HA ALA 24 HA ALA 24 -10.029 27.284 -4.578 177 1HB ALA 24 1HB ALA 24 -8.327 26.473 -2.963 178 2HB ALA 24 2HB ALA 24 -7.576 27.168 -4.400 179 3HB ALA 24 3HB ALA 24 -7.664 25.416 -4.210 180 H ALA 25 H ALA 25 -8.914 24.202 -5.978 181 HA ALA 25 HA ALA 25 -8.131 25.356 -8.514 182 1HB ALA 25 1HB ALA 25 -7.211 23.211 -7.775 183 2HB ALA 25 2HB ALA 25 -8.087 22.990 -9.291 184 3HB ALA 25 3HB ALA 25 -8.824 22.498 -7.766 185 H PHE 26 H PHE 26 -11.115 23.899 -7.264 186 HA PHE 26 HA PHE 26 -12.524 23.706 -9.755 187 1HB PHE 26 1HB PHE 26 -13.508 24.058 -6.904 188 2HB PHE 26 2HB PHE 26 -13.355 22.544 -7.793 189 HD1 PHE 26 HD1 PHE 26 -14.857 22.065 -9.721 190 HD2 PHE 26 HD2 PHE 26 -15.391 25.524 -7.229 191 HE1 PHE 26 HE1 PHE 26 -17.154 22.351 -10.612 192 HE2 PHE 26 HE2 PHE 26 -17.688 25.810 -8.121 193 HZ PHE 26 HZ PHE 26 -18.569 24.223 -9.811 194 H ASP 27 H ASP 27 -12.278 26.326 -7.352 195 HA ASP 27 HA ASP 27 -14.165 28.118 -8.489 196 1HB ASP 27 1HB ASP 27 -11.632 28.612 -6.908 197 2HB ASP 27 2HB ASP 27 -13.280 28.534 -6.289 198 H MET 28 H MET 28 -10.908 27.292 -9.532 199 HA MET 28 HA MET 28 -10.302 29.581 -11.106 200 1HB MET 28 1HB MET 28 -9.610 26.754 -11.917 201 2HB MET 28 2HB MET 28 -8.809 27.557 -10.570 202 1HG MET 28 1HG MET 28 -8.241 29.449 -12.141 203 2HG MET 28 2HG MET 28 -8.890 28.473 -13.459 204 1HE MET 28 1HE MET 28 -6.687 29.273 -14.307 205 2HE MET 28 2HE MET 28 -5.208 28.319 -14.222 206 3HE MET 28 3HE MET 28 -5.530 29.545 -12.998 207 H PHE 29 H PHE 29 -11.710 26.475 -12.226 208 HA PHE 29 HA PHE 29 -12.476 27.440 -14.805 209 1HB PHE 29 1HB PHE 29 -14.282 25.528 -14.478 210 2HB PHE 29 2HB PHE 29 -13.303 25.143 -13.065 211 HD1 PHE 29 HD1 PHE 29 -11.395 23.810 -13.313 212 HD2 PHE 29 HD2 PHE 29 -12.969 25.881 -16.732 213 HE1 PHE 29 HE1 PHE 29 -9.731 22.681 -14.765 214 HE2 PHE 29 HE2 PHE 29 -11.305 24.751 -18.182 215 HZ PHE 29 HZ PHE 29 -9.687 23.151 -17.199 216 H ASP 30 H ASP 30 -13.909 27.704 -11.652 217 HA ASP 30 HA ASP 30 -16.481 28.754 -12.643 218 1HB ASP 30 1HB ASP 30 -15.529 28.924 -9.797 219 2HB ASP 30 2HB ASP 30 -16.040 27.373 -10.457 220 H ALA 31 H ALA 31 -14.411 30.263 -13.652 221 HA ALA 31 HA ALA 31 -13.474 32.471 -12.170 222 1HB ALA 31 1HB ALA 31 -14.201 32.365 -15.113 223 2HB ALA 31 2HB ALA 31 -12.640 31.934 -14.416 224 3HB ALA 31 3HB ALA 31 -13.200 33.604 -14.355 225 H ASP 32 H ASP 32 -16.654 31.951 -13.615 226 HA ASP 32 HA ASP 32 -17.459 34.751 -13.245 227 1HB ASP 32 1HB ASP 32 -19.697 33.931 -13.956 228 2HB ASP 32 2HB ASP 32 -19.076 32.282 -13.946 229 H GLY 33 H GLY 33 -17.731 31.707 -11.476 230 1HA GLY 33 1HA GLY 33 -18.818 33.220 -9.164 231 2HA GLY 33 2HA GLY 33 -18.074 31.623 -9.090 232 H GLY 34 H GLY 34 -20.267 31.514 -7.746 233 1HA GLY 34 1HA GLY 34 -22.393 30.518 -9.607 234 2HA GLY 34 2HA GLY 34 -22.771 31.353 -8.101 235 H GLY 35 H GLY 35 -20.382 28.775 -8.805 236 1HA GLY 35 1HA GLY 35 -21.860 27.005 -6.899 237 2HA GLY 35 2HA GLY 35 -20.116 27.218 -6.753 238 H ASP 36 H ASP 36 -21.537 27.160 -9.946 239 HA ASP 36 HA ASP 36 -20.250 24.507 -10.409 240 1HB ASP 36 1HB ASP 36 -22.313 23.616 -10.707 241 2HB ASP 36 2HB ASP 36 -22.344 24.516 -12.215 242 H ILE 37 H ILE 37 -19.662 24.163 -12.694 243 HA ILE 37 HA ILE 37 -18.986 26.767 -14.005 244 HB ILE 37 HB ILE 37 -17.873 24.020 -14.650 245 1HG1 ILE 37 1HG1 ILE 37 -17.561 25.144 -12.213 246 2HG1 ILE 37 2HG1 ILE 37 -16.287 26.002 -13.077 247 1HG2 ILE 37 1HG2 ILE 37 -15.967 25.474 -15.501 248 2HG2 ILE 37 2HG2 ILE 37 -17.027 26.864 -15.271 249 3HG2 ILE 37 3HG2 ILE 37 -17.468 25.598 -16.416 250 1HD1 ILE 37 1HD1 ILE 37 -15.279 24.016 -12.191 251 2HD1 ILE 37 2HD1 ILE 37 -15.507 23.719 -13.914 252 3HD1 ILE 37 3HD1 ILE 37 -16.618 23.010 -12.743 253 H SER 38 H SER 38 -19.287 26.933 -16.357 254 HA SER 38 HA SER 38 -21.394 25.080 -17.403 255 1HB SER 38 1HB SER 38 -21.183 28.015 -18.114 256 2HB SER 38 2HB SER 38 -22.158 27.450 -16.761 257 HG SER 38 HG SER 38 -22.782 27.450 -19.339 258 H THR 39 H THR 39 -21.535 25.502 -19.959 259 HA THR 39 HA THR 39 -18.982 24.695 -21.050 260 HB THR 39 HB THR 39 -21.295 25.707 -22.709 261 HG1 THR 39 HG1 THR 39 -22.458 24.225 -21.813 262 1HG2 THR 39 1HG2 THR 39 -19.158 23.590 -23.057 263 2HG2 THR 39 2HG2 THR 39 -19.309 25.106 -23.946 264 3HG2 THR 39 3HG2 THR 39 -20.499 23.825 -24.178 265 H LYS 40 H LYS 40 -20.902 27.703 -21.324 266 HA LYS 40 HA LYS 40 -19.055 29.116 -22.992 267 1HB LYS 40 1HB LYS 40 -20.821 30.379 -20.880 268 2HB LYS 40 2HB LYS 40 -21.461 29.774 -22.404 269 1HG LYS 40 1HG LYS 40 -19.209 31.786 -22.195 270 2HG LYS 40 2HG LYS 40 -20.900 32.234 -22.429 271 1HD LYS 40 1HD LYS 40 -20.472 30.287 -24.373 272 2HD LYS 40 2HD LYS 40 -18.959 31.194 -24.368 273 1HE LYS 40 1HE LYS 40 -21.549 32.707 -24.335 274 2HE LYS 40 2HE LYS 40 -21.004 31.994 -25.853 275 1HZ LYS 40 1HZ LYS 40 -20.171 34.224 -25.652 276 2HZ LYS 40 2HZ LYS 40 -18.871 33.136 -25.546 277 3HZ LYS 40 3HZ LYS 40 -19.476 33.882 -24.144 278 H GLU 41 H GLU 41 -19.529 29.219 -19.469 279 HA GLU 41 HA GLU 41 -17.376 30.916 -18.774 280 1HB GLU 41 1HB GLU 41 -17.521 29.972 -16.544 281 2HB GLU 41 2HB GLU 41 -18.303 28.519 -17.163 282 1HG GLU 41 1HG GLU 41 -20.266 29.818 -17.833 283 2HG GLU 41 2HG GLU 41 -19.472 31.315 -17.356 284 H LEU 42 H LEU 42 -17.382 27.461 -19.544 285 HA LEU 42 HA LEU 42 -14.782 26.764 -18.631 286 1HB LEU 42 1HB LEU 42 -15.549 25.529 -21.186 287 2HB LEU 42 2HB LEU 42 -16.829 25.477 -19.980 288 HG LEU 42 HG LEU 42 -15.328 23.488 -19.895 289 1HD1 LEU 42 1HD1 LEU 42 -13.221 25.425 -18.912 290 2HD1 LEU 42 2HD1 LEU 42 -13.267 24.802 -20.560 291 3HD1 LEU 42 3HD1 LEU 42 -13.034 23.697 -19.207 292 1HD2 LEU 42 1HD2 LEU 42 -16.532 24.335 -17.869 293 2HD2 LEU 42 2HD2 LEU 42 -15.096 25.269 -17.449 294 3HD2 LEU 42 3HD2 LEU 42 -15.026 23.507 -17.474 295 H GLY 43 H GLY 43 -15.741 27.580 -21.990 296 1HA GLY 43 1HA GLY 43 -14.554 28.672 -23.696 297 2HA GLY 43 2HA GLY 43 -13.161 27.771 -23.098 298 H THR 44 H THR 44 -14.907 30.125 -21.125 299 HA THR 44 HA THR 44 -13.211 32.386 -21.677 300 HB THR 44 HB THR 44 -14.682 31.846 -19.080 301 HG1 THR 44 HG1 THR 44 -16.492 32.278 -20.075 302 1HG2 THR 44 1HG2 THR 44 -13.599 34.268 -20.493 303 2HG2 THR 44 2HG2 THR 44 -13.425 33.796 -18.802 304 3HG2 THR 44 3HG2 THR 44 -14.964 34.428 -19.389 305 H VAL 45 H VAL 45 -13.120 29.856 -19.154 306 HA VAL 45 HA VAL 45 -10.775 30.913 -17.833 307 HB VAL 45 HB VAL 45 -11.870 28.079 -17.815 308 1HG1 VAL 45 1HG1 VAL 45 -10.720 28.132 -15.510 309 2HG1 VAL 45 2HG1 VAL 45 -9.863 29.556 -16.101 310 3HG1 VAL 45 3HG1 VAL 45 -9.669 28.006 -16.920 311 1HG2 VAL 45 1HG2 VAL 45 -13.626 29.052 -16.758 312 2HG2 VAL 45 2HG2 VAL 45 -12.781 30.592 -16.601 313 3HG2 VAL 45 3HG2 VAL 45 -12.515 29.316 -15.414 314 H MET 46 H MET 46 -11.256 28.668 -20.538 315 HA MET 46 HA MET 46 -8.541 27.681 -20.598 316 1HB MET 46 1HB MET 46 -9.069 26.877 -22.830 317 2HB MET 46 2HB MET 46 -10.459 27.956 -22.933 318 1HG MET 46 1HG MET 46 -11.758 26.627 -21.595 319 2HG MET 46 2HG MET 46 -10.395 26.105 -20.605 320 1HE MET 46 1HE MET 46 -8.702 24.784 -21.145 321 2HE MET 46 2HE MET 46 -8.594 23.504 -22.351 322 3HE MET 46 3HE MET 46 -9.634 23.293 -20.945 323 NH1 ARG 47 NH1 ARG 47 -13.791 32.963 -27.255 324 NH2 ARG 47 NH2 ARG 47 -13.382 34.246 -25.431 325 H ARG 47 H ARG 47 -10.221 30.281 -22.372 326 HA ARG 47 HA ARG 47 -7.891 31.186 -23.799 327 1HB ARG 47 1HB ARG 47 -9.412 33.361 -23.874 328 2HB ARG 47 2HB ARG 47 -10.634 32.245 -23.266 329 1HG ARG 47 1HG ARG 47 -9.487 30.755 -25.251 330 2HG ARG 47 2HG ARG 47 -9.349 32.377 -25.925 331 1HD ARG 47 1HD ARG 47 -11.959 31.665 -24.678 332 2HD ARG 47 2HD ARG 47 -11.572 30.873 -26.204 333 HE ARG 47 HE ARG 47 -11.036 33.483 -26.793 334 1HH1 ARG 47 1HH1 ARG 47 -14.739 33.281 -27.270 335 2HH1 ARG 47 2HH1 ARG 47 -13.471 32.313 -27.948 336 1HH2 ARG 47 1HH2 ARG 47 -12.752 34.578 -24.728 337 2HH2 ARG 47 2HH2 ARG 47 -14.331 34.567 -25.442 338 H MET 48 H MET 48 -8.904 31.675 -20.495 339 HA MET 48 HA MET 48 -7.682 34.241 -20.068 340 1HB MET 48 1HB MET 48 -9.271 32.826 -18.505 341 2HB MET 48 2HB MET 48 -8.083 33.913 -17.798 342 1HG MET 48 1HG MET 48 -7.160 31.136 -18.338 343 2HG MET 48 2HG MET 48 -8.338 31.333 -17.043 344 1HE MET 48 1HE MET 48 -7.849 33.634 -15.174 345 2HE MET 48 2HE MET 48 -6.682 32.754 -14.190 346 3HE MET 48 3HE MET 48 -8.004 31.885 -14.968 347 H LEU 49 H LEU 49 -6.387 30.969 -20.214 348 HA LEU 49 HA LEU 49 -3.743 31.808 -19.228 349 1HB LEU 49 1HB LEU 49 -4.401 29.189 -20.590 350 2HB LEU 49 2HB LEU 49 -4.809 29.480 -18.900 351 HG LEU 49 HG LEU 49 -2.200 30.315 -18.966 352 1HD1 LEU 49 1HD1 LEU 49 -3.425 28.679 -17.418 353 2HD1 LEU 49 2HD1 LEU 49 -1.720 28.343 -17.715 354 3HD1 LEU 49 3HD1 LEU 49 -2.962 27.416 -18.558 355 1HD2 LEU 49 1HD2 LEU 49 -2.652 28.413 -21.203 356 2HD2 LEU 49 2HD2 LEU 49 -1.267 28.062 -20.169 357 3HD2 LEU 49 3HD2 LEU 49 -1.383 29.618 -20.990 358 H GLY 50 H GLY 50 -5.398 31.311 -22.308 359 1HA GLY 50 1HA GLY 50 -2.825 31.904 -23.728 360 2HA GLY 50 2HA GLY 50 -4.311 32.759 -24.131 361 H GLN 51 H GLN 51 -5.435 29.765 -23.449 362 HA GLN 51 HA GLN 51 -4.682 28.437 -25.973 363 1HB GLN 51 1HB GLN 51 -6.875 27.301 -24.349 364 2HB GLN 51 2HB GLN 51 -5.356 27.491 -23.478 365 1HG GLN 51 1HG GLN 51 -5.254 25.319 -24.456 366 2HG GLN 51 2HG GLN 51 -4.234 26.338 -25.471 367 1HE2 GLN 51 1HE2 GLN 51 -7.748 25.383 -25.312 368 2HE2 GLN 51 2HE2 GLN 51 -7.896 25.192 -26.991 369 H ASN 52 H ASN 52 -6.200 28.060 -27.677 370 HA ASN 52 HA ASN 52 -8.725 29.658 -27.479 371 1HB ASN 52 1HB ASN 52 -7.510 29.082 -30.150 372 2HB ASN 52 2HB ASN 52 -6.720 30.293 -29.144 373 1HD2 ASN 52 1HD2 ASN 52 -8.703 30.287 -31.643 374 2HD2 ASN 52 2HD2 ASN 52 -9.789 31.525 -31.235 375 HA PRO 53 HA PRO 53 -9.808 25.239 -28.258 376 1HB PRO 53 1HB PRO 53 -9.895 24.729 -26.014 377 2HB PRO 53 2HB PRO 53 -11.621 25.058 -26.205 378 1HG PRO 53 1HG PRO 53 -9.968 26.421 -24.453 379 2HG PRO 53 2HG PRO 53 -11.463 27.098 -25.116 380 1HD PRO 53 1HD PRO 53 -8.674 27.825 -25.701 381 2HD PRO 53 2HD PRO 53 -10.160 28.703 -26.117 382 H THR 54 H THR 54 -12.058 24.366 -28.760 383 HA THR 54 HA THR 54 -13.669 26.477 -30.060 384 HB THR 54 HB THR 54 -14.465 23.614 -30.247 385 HG1 THR 54 HG1 THR 54 -12.132 24.638 -31.501 386 1HG2 THR 54 1HG2 THR 54 -14.929 24.222 -32.519 387 2HG2 THR 54 2HG2 THR 54 -13.972 25.696 -32.381 388 3HG2 THR 54 3HG2 THR 54 -15.495 25.550 -31.505 389 H LYS 55 H LYS 55 -15.891 26.777 -29.612 390 HA LYS 55 HA LYS 55 -16.710 26.324 -26.874 391 1HB LYS 55 1HB LYS 55 -18.920 27.237 -27.707 392 2HB LYS 55 2HB LYS 55 -18.207 27.298 -29.319 393 1HG LYS 55 1HG LYS 55 -16.274 28.564 -27.870 394 2HG LYS 55 2HG LYS 55 -17.711 29.026 -26.959 395 1HD LYS 55 1HD LYS 55 -17.846 29.212 -29.939 396 2HD LYS 55 2HD LYS 55 -16.881 30.422 -29.091 397 1HE LYS 55 1HE LYS 55 -18.830 30.947 -27.652 398 2HE LYS 55 2HE LYS 55 -19.789 29.754 -28.528 399 1HZ LYS 55 1HZ LYS 55 -18.527 32.179 -29.693 400 2HZ LYS 55 2HZ LYS 55 -20.185 31.959 -29.392 401 3HZ LYS 55 3HZ LYS 55 -19.401 31.016 -30.567 402 H GLU 56 H GLU 56 -17.757 24.944 -30.003 403 HA GLU 56 HA GLU 56 -19.700 23.145 -28.895 404 1HB GLU 56 1HB GLU 56 -19.708 23.702 -31.280 405 2HB GLU 56 2HB GLU 56 -19.531 21.961 -31.077 406 1HG GLU 56 1HG GLU 56 -17.014 22.316 -31.268 407 2HG GLU 56 2HG GLU 56 -17.368 23.973 -31.760 408 H GLU 57 H GLU 57 -16.214 22.891 -29.378 409 HA GLU 57 HA GLU 57 -16.042 20.042 -28.873 410 1HB GLU 57 1HB GLU 57 -13.597 20.581 -28.437 411 2HB GLU 57 2HB GLU 57 -13.996 22.276 -28.713 412 1HG GLU 57 1HG GLU 57 -13.231 21.461 -30.818 413 2HG GLU 57 2HG GLU 57 -14.988 21.513 -30.956 414 H LEU 58 H LEU 58 -15.855 22.954 -26.866 415 HA LEU 58 HA LEU 58 -15.085 21.618 -24.434 416 1HB LEU 58 1HB LEU 58 -16.446 23.888 -23.641 417 2HB LEU 58 2HB LEU 58 -15.910 24.307 -25.270 418 HG LEU 58 HG LEU 58 -13.605 23.482 -24.603 419 1HD1 LEU 58 1HD1 LEU 58 -13.309 25.529 -22.954 420 2HD1 LEU 58 2HD1 LEU 58 -14.979 25.867 -23.409 421 3HD1 LEU 58 3HD1 LEU 58 -13.722 25.804 -24.645 422 1HD2 LEU 58 1HD2 LEU 58 -13.170 23.339 -22.163 423 2HD2 LEU 58 2HD2 LEU 58 -14.319 22.109 -22.689 424 3HD2 LEU 58 3HD2 LEU 58 -14.893 23.551 -21.855 425 H ASP 59 H ASP 59 -18.182 22.258 -25.964 426 HA ASP 59 HA ASP 59 -19.881 21.718 -23.730 427 1HB ASP 59 1HB ASP 59 -20.557 21.016 -26.593 428 2HB ASP 59 2HB ASP 59 -20.530 22.685 -26.027 429 H ALA 60 H ALA 60 -18.309 19.601 -26.105 430 HA ALA 60 HA ALA 60 -19.630 17.174 -25.226 431 1HB ALA 60 1HB ALA 60 -17.124 17.723 -26.829 432 2HB ALA 60 2HB ALA 60 -18.670 17.108 -27.409 433 3HB ALA 60 3HB ALA 60 -17.630 16.082 -26.422 434 H ILE 61 H ILE 61 -16.663 18.873 -24.347 435 HA ILE 61 HA ILE 61 -15.444 16.893 -22.713 436 HB ILE 61 HB ILE 61 -15.400 19.908 -22.788 437 1HG1 ILE 61 1HG1 ILE 61 -14.135 18.227 -24.351 438 2HG1 ILE 61 2HG1 ILE 61 -13.063 18.014 -22.966 439 1HG2 ILE 61 1HG2 ILE 61 -15.184 19.464 -20.420 440 2HG2 ILE 61 2HG2 ILE 61 -13.565 19.782 -21.043 441 3HG2 ILE 61 3HG2 ILE 61 -14.074 18.125 -20.716 442 1HD1 ILE 61 1HD1 ILE 61 -12.034 19.781 -24.108 443 2HD1 ILE 61 2HD1 ILE 61 -13.037 20.642 -22.940 444 3HD1 ILE 61 3HD1 ILE 61 -13.573 20.479 -24.612 445 H ILE 62 H ILE 62 -18.078 19.173 -22.045 446 HA ILE 62 HA ILE 62 -18.169 18.508 -19.190 447 HB ILE 62 HB ILE 62 -20.230 19.969 -20.875 448 1HG1 ILE 62 1HG1 ILE 62 -17.971 21.036 -20.957 449 2HG1 ILE 62 2HG1 ILE 62 -17.963 21.100 -19.198 450 1HG2 ILE 62 1HG2 ILE 62 -21.415 19.798 -18.953 451 2HG2 ILE 62 2HG2 ILE 62 -20.262 20.945 -18.273 452 3HG2 ILE 62 3HG2 ILE 62 -20.018 19.214 -18.051 453 1HD1 ILE 62 1HD1 ILE 62 -20.374 22.254 -19.730 454 2HD1 ILE 62 2HD1 ILE 62 -19.452 22.759 -21.145 455 3HD1 ILE 62 3HD1 ILE 62 -18.878 23.165 -19.527 456 H GLU 63 H GLU 63 -19.910 17.612 -22.150 457 HA GLU 63 HA GLU 63 -22.105 16.222 -21.075 458 1HB GLU 63 1HB GLU 63 -20.948 14.752 -23.298 459 2HB GLU 63 2HB GLU 63 -20.909 16.488 -23.604 460 1HG GLU 63 1HG GLU 63 -23.046 15.942 -24.363 461 2HG GLU 63 2HG GLU 63 -23.379 16.399 -22.693 462 H GLU 64 H GLU 64 -18.772 15.072 -21.574 463 HA GLU 64 HA GLU 64 -19.210 12.355 -20.771 464 1HB GLU 64 1HB GLU 64 -16.609 13.523 -19.999 465 2HB GLU 64 2HB GLU 64 -17.045 13.777 -21.688 466 1HG GLU 64 1HG GLU 64 -15.872 11.691 -21.617 467 2HG GLU 64 2HG GLU 64 -17.578 11.280 -21.784 468 H VAL 65 H VAL 65 -18.358 15.267 -18.909 469 HA VAL 65 HA VAL 65 -18.152 13.906 -16.359 470 HB VAL 65 HB VAL 65 -18.734 16.837 -16.910 471 1HG1 VAL 65 1HG1 VAL 65 -17.583 17.084 -14.660 472 2HG1 VAL 65 2HG1 VAL 65 -17.712 15.334 -14.483 473 3HG1 VAL 65 3HG1 VAL 65 -19.171 16.319 -14.601 474 1HG2 VAL 65 1HG2 VAL 65 -16.694 16.377 -18.029 475 2HG2 VAL 65 2HG2 VAL 65 -16.167 15.243 -16.784 476 3HG2 VAL 65 3HG2 VAL 65 -16.188 16.975 -16.449 477 H ASP 66 H ASP 66 -20.813 15.249 -18.210 478 HA ASP 66 HA ASP 66 -22.724 15.403 -16.055 479 1HB ASP 66 1HB ASP 66 -24.402 15.437 -17.969 480 2HB ASP 66 2HB ASP 66 -23.036 15.266 -19.068 481 H GLU 67 H GLU 67 -22.056 13.211 -15.191 482 HA GLU 67 HA GLU 67 -22.651 10.755 -16.502 483 1HB GLU 67 1HB GLU 67 -23.171 10.915 -13.573 484 2HB GLU 67 2HB GLU 67 -21.553 11.369 -14.110 485 1HG GLU 67 1HG GLU 67 -22.653 8.905 -15.337 486 2HG GLU 67 2HG GLU 67 -22.313 8.802 -13.609 487 H ASP 68 H ASP 68 -24.707 12.880 -14.514 488 HA ASP 68 HA ASP 68 -27.035 11.122 -14.775 489 1HB ASP 68 1HB ASP 68 -27.026 14.018 -13.888 490 2HB ASP 68 2HB ASP 68 -26.566 12.700 -12.812 491 H GLY 69 H GLY 69 -25.809 14.076 -16.314 492 1HA GLY 69 1HA GLY 69 -27.917 13.764 -18.407 493 2HA GLY 69 2HA GLY 69 -26.328 14.482 -18.681 494 H SER 70 H SER 70 -25.995 16.360 -16.838 495 HA SER 70 HA SER 70 -28.477 17.963 -16.581 496 1HB SER 70 1HB SER 70 -26.476 19.469 -15.457 497 2HB SER 70 2HB SER 70 -25.876 17.836 -15.197 498 HG SER 70 HG SER 70 -27.550 17.361 -13.965 499 H GLY 71 H GLY 71 -25.085 18.662 -17.546 500 1HA GLY 71 1HA GLY 71 -26.137 20.758 -19.388 501 2HA GLY 71 2HA GLY 71 -25.018 19.543 -20.008 502 H THR 72 H THR 72 -24.988 21.181 -16.840 503 HA THR 72 HA THR 72 -22.434 22.528 -17.613 504 HB THR 72 HB THR 72 -22.896 23.953 -15.578 505 HG1 THR 72 HG1 THR 72 -24.520 23.468 -14.361 506 1HG2 THR 72 1HG2 THR 72 -23.601 24.482 -17.991 507 2HG2 THR 72 2HG2 THR 72 -24.433 25.362 -16.708 508 3HG2 THR 72 3HG2 THR 72 -25.224 23.997 -17.498 509 H ILE 73 H ILE 73 -20.836 22.723 -15.707 510 HA ILE 73 HA ILE 73 -20.557 20.028 -14.480 511 HB ILE 73 HB ILE 73 -18.532 22.219 -14.157 512 1HG1 ILE 73 1HG1 ILE 73 -19.192 22.144 -16.590 513 2HG1 ILE 73 2HG1 ILE 73 -18.739 20.441 -16.610 514 1HG2 ILE 73 1HG2 ILE 73 -18.415 19.909 -13.061 515 2HG2 ILE 73 2HG2 ILE 73 -16.995 20.415 -13.974 516 3HG2 ILE 73 3HG2 ILE 73 -18.136 19.271 -14.681 517 1HD1 ILE 73 1HD1 ILE 73 -16.824 22.593 -15.689 518 2HD1 ILE 73 2HD1 ILE 73 -16.957 22.134 -17.386 519 3HD1 ILE 73 3HD1 ILE 73 -16.451 20.943 -16.188 520 H ASP 74 H ASP 74 -20.722 19.702 -12.313 521 HA ASP 74 HA ASP 74 -21.450 22.042 -10.613 522 1HB ASP 74 1HB ASP 74 -22.403 20.293 -9.073 523 2HB ASP 74 2HB ASP 74 -22.013 19.087 -10.291 524 H PHE 75 H PHE 75 -20.813 21.623 -8.206 525 HA PHE 75 HA PHE 75 -17.922 21.377 -8.099 526 1HB PHE 75 1HB PHE 75 -19.889 21.464 -5.788 527 2HB PHE 75 2HB PHE 75 -19.222 22.890 -6.580 528 HD1 PHE 75 HD1 PHE 75 -18.918 21.267 -3.666 529 HD2 PHE 75 HD2 PHE 75 -16.428 22.255 -7.023 530 HE1 PHE 75 HE1 PHE 75 -16.909 21.135 -2.218 531 HE2 PHE 75 HE2 PHE 75 -14.421 22.122 -5.575 532 HZ PHE 75 HZ PHE 75 -14.661 21.562 -3.172 533 H GLU 76 H GLU 76 -20.631 19.389 -6.891 534 HA GLU 76 HA GLU 76 -18.950 17.291 -5.851 535 1HB GLU 76 1HB GLU 76 -21.355 17.622 -5.214 536 2HB GLU 76 2HB GLU 76 -20.992 15.970 -5.711 537 1HG GLU 76 1HG GLU 76 -22.425 16.096 -7.458 538 2HG GLU 76 2HG GLU 76 -21.752 17.636 -7.985 539 H GLU 77 H GLU 77 -19.993 18.111 -9.069 540 HA GLU 77 HA GLU 77 -19.563 15.470 -10.236 541 1HB GLU 77 1HB GLU 77 -19.168 17.385 -12.251 542 2HB GLU 77 2HB GLU 77 -20.349 18.125 -11.170 543 1HG GLU 77 1HG GLU 77 -20.701 15.251 -11.968 544 2HG GLU 77 2HG GLU 77 -21.147 16.515 -13.113 545 H PHE 78 H PHE 78 -17.750 18.397 -9.634 546 HA PHE 78 HA PHE 78 -15.327 17.644 -10.991 547 1HB PHE 78 1HB PHE 78 -16.001 19.622 -8.799 548 2HB PHE 78 2HB PHE 78 -15.753 19.966 -10.507 549 HD1 PHE 78 HD1 PHE 78 -14.229 19.913 -7.312 550 HD2 PHE 78 HD2 PHE 78 -13.391 19.252 -11.472 551 HE1 PHE 78 HE1 PHE 78 -11.811 20.252 -6.878 552 HE2 PHE 78 HE2 PHE 78 -10.972 19.592 -11.038 553 HZ PHE 78 HZ PHE 78 -10.182 20.091 -8.740 554 H LEU 79 H LEU 79 -16.593 17.241 -7.691 555 HA LEU 79 HA LEU 79 -14.134 16.180 -6.575 556 1HB LEU 79 1HB LEU 79 -15.551 15.495 -4.678 557 2HB LEU 79 2HB LEU 79 -16.990 15.854 -5.630 558 HG LEU 79 HG LEU 79 -16.103 18.229 -5.861 559 1HD1 LEU 79 1HD1 LEU 79 -17.851 18.108 -4.345 560 2HD1 LEU 79 2HD1 LEU 79 -16.556 18.659 -3.283 561 3HD1 LEU 79 3HD1 LEU 79 -17.010 16.955 -3.308 562 1HD2 LEU 79 1HD2 LEU 79 -13.766 17.841 -5.316 563 2HD2 LEU 79 2HD2 LEU 79 -14.203 17.187 -3.738 564 3HD2 LEU 79 3HD2 LEU 79 -14.453 18.898 -4.082 565 H VAL 80 H VAL 80 -17.185 14.585 -7.621 566 HA VAL 80 HA VAL 80 -16.280 11.915 -7.182 567 HB VAL 80 HB VAL 80 -18.671 12.612 -7.600 568 1HG1 VAL 80 1HG1 VAL 80 -19.442 12.860 -9.897 569 2HG1 VAL 80 2HG1 VAL 80 -17.805 12.613 -10.505 570 3HG1 VAL 80 3HG1 VAL 80 -18.190 14.058 -9.571 571 1HG2 VAL 80 1HG2 VAL 80 -18.569 10.319 -7.667 572 2HG2 VAL 80 2HG2 VAL 80 -17.285 10.306 -8.875 573 3HG2 VAL 80 3HG2 VAL 80 -18.954 10.589 -9.367 574 H MET 81 H MET 81 -15.798 14.145 -9.865 575 HA MET 81 HA MET 81 -14.736 12.217 -11.734 576 1HB MET 81 1HB MET 81 -14.751 15.207 -11.455 577 2HB MET 81 2HB MET 81 -15.350 14.213 -12.778 578 1HG MET 81 1HG MET 81 -12.928 13.634 -13.291 579 2HG MET 81 2HG MET 81 -12.476 14.875 -12.122 580 1HE MET 81 1HE MET 81 -12.865 17.393 -12.369 581 2HE MET 81 2HE MET 81 -12.380 17.968 -13.962 582 3HE MET 81 3HE MET 81 -11.437 16.715 -13.159 583 H MET 82 H MET 82 -13.306 14.409 -9.307 584 HA MET 82 HA MET 82 -10.567 13.589 -9.817 585 1HB MET 82 1HB MET 82 -11.415 14.575 -7.118 586 2HB MET 82 2HB MET 82 -11.591 15.671 -8.489 587 1HG MET 82 1HG MET 82 -9.263 15.595 -8.977 588 2HG MET 82 2HG MET 82 -9.015 14.184 -7.947 589 1HE MET 82 1HE MET 82 -6.918 15.656 -7.086 590 2HE MET 82 2HE MET 82 -7.087 17.260 -6.375 591 3HE MET 82 3HE MET 82 -7.467 17.014 -8.078 592 H VAL 83 H VAL 83 -13.221 12.330 -7.920 593 HA VAL 83 HA VAL 83 -11.705 10.615 -6.173 594 HB VAL 83 HB VAL 83 -14.581 10.875 -7.022 595 1HG1 VAL 83 1HG1 VAL 83 -14.407 8.496 -6.940 596 2HG1 VAL 83 2HG1 VAL 83 -15.053 8.978 -5.373 597 3HG1 VAL 83 3HG1 VAL 83 -13.350 8.546 -5.530 598 1HG2 VAL 83 1HG2 VAL 83 -14.869 11.718 -4.908 599 2HG2 VAL 83 2HG2 VAL 83 -13.155 12.086 -5.092 600 3HG2 VAL 83 3HG2 VAL 83 -13.657 10.652 -4.198 601 NH1 ARG 84 NH1 ARG 84 -17.145 10.197 -14.226 602 NH2 ARG 84 NH2 ARG 84 -17.174 10.529 -11.983 603 H ARG 84 H ARG 84 -13.031 10.258 -9.444 604 HA ARG 84 HA ARG 84 -12.291 7.389 -9.502 605 1HB ARG 84 1HB ARG 84 -14.419 8.041 -10.544 606 2HB ARG 84 2HB ARG 84 -13.312 7.396 -11.753 607 1HG ARG 84 1HG ARG 84 -12.627 9.892 -12.107 608 2HG ARG 84 2HG ARG 84 -14.149 10.253 -11.293 609 1HD ARG 84 1HD ARG 84 -13.933 8.409 -13.689 610 2HD ARG 84 2HD ARG 84 -14.307 10.126 -13.818 611 HE ARG 84 HE ARG 84 -16.068 8.072 -12.574 612 1HH1 ARG 84 1HH1 ARG 84 -17.839 10.909 -14.343 613 2HH1 ARG 84 2HH1 ARG 84 -16.788 9.713 -15.025 614 1HH2 ARG 84 1HH2 ARG 84 -16.839 10.298 -11.069 615 2HH2 ARG 84 2HH2 ARG 84 -17.867 11.241 -12.095 616 H GLN 85 H GLN 85 -10.506 10.073 -9.713 617 HA GLN 85 HA GLN 85 -8.818 9.064 -11.964 618 1HB GLN 85 1HB GLN 85 -7.832 11.468 -11.780 619 2HB GLN 85 2HB GLN 85 -9.297 11.836 -10.871 620 1HG GLN 85 1HG GLN 85 -10.687 11.459 -12.712 621 2HG GLN 85 2HG GLN 85 -9.512 10.419 -13.515 622 1HE2 GLN 85 1HE2 GLN 85 -10.547 13.739 -13.067 623 2HE2 GLN 85 2HE2 GLN 85 -9.425 14.434 -14.132 624 H MET 86 H MET 86 -8.825 10.247 -8.609 625 HA MET 86 HA MET 86 -5.956 9.465 -8.352 626 1HB MET 86 1HB MET 86 -7.547 10.764 -6.156 627 2HB MET 86 2HB MET 86 -6.995 11.734 -7.523 628 1HG MET 86 1HG MET 86 -4.704 10.430 -6.976 629 2HG MET 86 2HG MET 86 -5.420 10.416 -5.364 630 1HE MET 86 1HE MET 86 -4.066 11.553 -4.160 631 2HE MET 86 2HE MET 86 -5.341 12.694 -3.739 632 3HE MET 86 3HE MET 86 -3.731 13.290 -4.138 633 H LYS 87 H LYS 87 -8.381 7.577 -8.428 634 HA LYS 87 HA LYS 87 -8.478 6.488 -5.703 635 1HB LYS 87 1HB LYS 87 -10.471 6.413 -7.158 636 2HB LYS 87 2HB LYS 87 -9.977 4.795 -6.667 637 1HG LYS 87 1HG LYS 87 -8.721 5.742 -9.167 638 2HG LYS 87 2HG LYS 87 -10.471 5.550 -9.261 639 1HD LYS 87 1HD LYS 87 -10.334 3.287 -9.149 640 2HD LYS 87 2HD LYS 87 -9.124 3.339 -7.867 641 1HE LYS 87 1HE LYS 87 -7.602 4.224 -9.895 642 2HE LYS 87 2HE LYS 87 -8.759 3.275 -10.828 643 1HZ LYS 87 1HZ LYS 87 -8.279 1.364 -9.470 644 2HZ LYS 87 2HZ LYS 87 -7.222 2.269 -8.494 645 3HZ LYS 87 3HZ LYS 87 -6.834 1.968 -10.120 646 H GLU 88 H GLU 88 -6.252 6.162 -8.255 647 HA GLU 88 HA GLU 88 -5.649 3.328 -7.746 648 1HB GLU 88 1HB GLU 88 -3.831 5.135 -9.299 649 2HB GLU 88 2HB GLU 88 -5.396 4.694 -9.985 650 1HG GLU 88 1HG GLU 88 -4.629 2.647 -10.532 651 2HG GLU 88 2HG GLU 88 -4.122 2.352 -8.868 652 H ASP 89 H ASP 89 -4.270 6.484 -6.898 653 HA ASP 89 HA ASP 89 -1.918 5.250 -5.645 654 1HB ASP 89 1HB ASP 89 -2.831 8.121 -5.371 655 2HB ASP 89 2HB ASP 89 -1.941 7.536 -6.776 656 H ALA 90 H ALA 90 -4.910 6.854 -4.522 657 HA ALA 90 HA ALA 90 -4.248 6.704 -1.726 658 1HB ALA 90 1HB ALA 90 -7.041 6.756 -2.874 659 2HB ALA 90 2HB ALA 90 -6.014 8.186 -2.810 660 3HB ALA 90 3HB ALA 90 -6.501 7.384 -1.317 661 H LYS 91 H LYS 91 -6.063 4.552 -3.863 662 HA LYS 91 HA LYS 91 -6.858 2.712 -1.772 663 1HB LYS 91 1HB LYS 91 -7.315 1.161 -3.736 664 2HB LYS 91 2HB LYS 91 -6.735 2.454 -4.786 665 1HG LYS 91 1HG LYS 91 -8.458 3.966 -3.904 666 2HG LYS 91 2HG LYS 91 -9.010 2.715 -2.792 667 1HD LYS 91 1HD LYS 91 -9.602 1.275 -4.707 668 2HD LYS 91 2HD LYS 91 -9.042 2.522 -5.822 669 1HE LYS 91 1HE LYS 91 -11.263 3.112 -5.770 670 2HE LYS 91 2HE LYS 91 -10.744 3.999 -4.338 671 1HZ LYS 91 1HZ LYS 91 -12.704 2.657 -3.892 672 2HZ LYS 91 2HZ LYS 91 -11.381 2.114 -2.974 673 3HZ LYS 91 3HZ LYS 91 -11.873 1.251 -4.352 674 H GLY 92 H GLY 92 -4.083 2.945 -3.959 675 1HA GLY 92 1HA GLY 92 -2.197 1.536 -4.175 676 2HA GLY 92 2HA GLY 92 -3.022 0.333 -3.182 677 H LYS 93 H LYS 93 -2.866 3.591 -1.943 678 HA LYS 93 HA LYS 93 -0.339 3.400 -0.597 679 1HB LYS 93 1HB LYS 93 -2.012 5.435 -1.045 680 2HB LYS 93 2HB LYS 93 -0.847 5.469 0.269 681 1HG LYS 93 1HG LYS 93 -3.538 4.289 0.828 682 2HG LYS 93 2HG LYS 93 -3.419 6.037 0.677 683 1HD LYS 93 1HD LYS 93 -1.273 4.902 2.318 684 2HD LYS 93 2HD LYS 93 -2.876 4.570 2.973 685 1HE LYS 93 1HE LYS 93 -2.359 6.660 3.913 686 2HE LYS 93 2HE LYS 93 -3.327 7.101 2.507 687 1HZ LYS 93 1HZ LYS 93 -1.292 8.419 2.684 688 2HZ LYS 93 2HZ LYS 93 -1.314 7.495 1.260 689 3HZ LYS 93 3HZ LYS 93 -0.356 7.007 2.577 690 H SER 94 H SER 94 -3.630 2.444 0.358 691 HA SER 94 HA SER 94 -2.915 1.760 3.085 692 1HB SER 94 1HB SER 94 -5.101 0.491 3.024 693 2HB SER 94 2HB SER 94 -5.254 0.958 1.333 694 HG SER 94 HG SER 94 -6.292 2.396 2.859 695 H GLU 95 H GLU 95 -3.367 -0.147 0.094 696 HA GLU 95 HA GLU 95 -2.658 -2.669 1.312 697 1HB GLU 95 1HB GLU 95 -2.428 -3.428 -1.089 698 2HB GLU 95 2HB GLU 95 -2.771 -1.768 -1.576 699 1HG GLU 95 1HG GLU 95 -4.892 -1.943 -0.152 700 2HG GLU 95 2HG GLU 95 -4.574 -3.675 -0.067 701 H GLU 96 H GLU 96 -0.684 -0.020 0.673 702 HA GLU 96 HA GLU 96 1.630 -1.141 -0.511 703 1HB GLU 96 1HB GLU 96 1.802 0.907 1.692 704 2HB GLU 96 2HB GLU 96 1.088 1.324 0.135 705 1HG GLU 96 1HG GLU 96 3.177 0.497 -0.980 706 2HG GLU 96 2HG GLU 96 3.884 0.249 0.617 707 H GLU 97 H GLU 97 0.445 -1.374 2.814 708 HA GLU 97 HA GLU 97 2.852 -2.282 4.056 709 1HB GLU 97 1HB GLU 97 0.849 -3.566 5.439 710 2HB GLU 97 2HB GLU 97 -0.025 -2.229 4.695 711 1HG GLU 97 1HG GLU 97 2.050 -0.820 5.536 712 2HG GLU 97 2HG GLU 97 2.236 -2.160 6.668 713 H LEU 98 H LEU 98 0.072 -4.249 2.895 714 HA LEU 98 HA LEU 98 1.560 -6.720 3.161 715 1HB LEU 98 1HB LEU 98 -0.937 -6.593 3.245 716 2HB LEU 98 2HB LEU 98 -0.343 -7.784 2.094 717 HG LEU 98 HG LEU 98 -0.501 -5.506 0.544 718 1HD1 LEU 98 1HD1 LEU 98 -2.181 -7.924 0.994 719 2HD1 LEU 98 2HD1 LEU 98 -1.354 -7.385 -0.467 720 3HD1 LEU 98 3HD1 LEU 98 -2.878 -6.639 0.009 721 1HD2 LEU 98 1HD2 LEU 98 -2.692 -5.496 2.631 722 2HD2 LEU 98 2HD2 LEU 98 -2.904 -4.740 1.052 723 3HD2 LEU 98 3HD2 LEU 98 -1.649 -4.160 2.145 724 H ALA 99 H ALA 99 1.403 -4.279 0.696 725 HA ALA 99 HA ALA 99 2.098 -5.857 -1.592 726 1HB ALA 99 1HB ALA 99 1.306 -3.569 -1.857 727 2HB ALA 99 2HB ALA 99 2.930 -3.695 -2.532 728 3HB ALA 99 3HB ALA 99 2.688 -2.954 -0.951 729 H ASN 100 H ASN 100 4.162 -4.078 0.751 730 HA ASN 100 HA ASN 100 6.623 -4.915 -0.508 731 1HB ASN 100 1HB ASN 100 6.706 -2.968 0.920 732 2HB ASN 100 2HB ASN 100 7.711 -4.215 1.648 733 1HD2 ASN 100 1HD2 ASN 100 6.792 -5.365 3.581 734 2HD2 ASN 100 2HD2 ASN 100 5.572 -4.624 4.495 735 H CYS 101 H CYS 101 4.582 -6.280 2.054 736 HA CYS 101 HA CYS 101 6.393 -8.360 2.875 737 1HB CYS 101 1HB CYS 101 4.188 -9.542 3.520 738 2HB CYS 101 2HB CYS 101 3.381 -8.081 2.951 739 HG CYS 101 HG CYS 101 3.970 -7.024 5.102 740 H PHE 102 H PHE 102 3.906 -8.125 0.363 741 HA PHE 102 HA PHE 102 3.974 -10.799 -0.602 742 1HB PHE 102 1HB PHE 102 3.492 -8.196 -2.095 743 2HB PHE 102 2HB PHE 102 2.264 -9.152 -1.272 744 HD1 PHE 102 HD1 PHE 102 1.633 -11.404 -2.140 745 HD2 PHE 102 HD2 PHE 102 4.337 -8.829 -4.260 746 HE1 PHE 102 HE1 PHE 102 1.304 -12.750 -4.196 747 HE2 PHE 102 HE2 PHE 102 4.012 -10.177 -6.315 748 HZ PHE 102 HZ PHE 102 2.483 -12.137 -6.283 749 NH1 ARG 103 NH1 ARG 103 9.438 -5.407 -7.778 750 NH2 ARG 103 NH2 ARG 103 11.125 -5.657 -6.285 751 H ARG 103 H ARG 103 5.896 -7.917 -1.552 752 HA ARG 103 HA ARG 103 7.464 -9.329 -3.531 753 1HB ARG 103 1HB ARG 103 8.393 -6.877 -2.032 754 2HB ARG 103 2HB ARG 103 7.149 -6.782 -3.279 755 1HG ARG 103 1HG ARG 103 9.648 -8.279 -3.944 756 2HG ARG 103 2HG ARG 103 9.759 -6.521 -3.855 757 1HD ARG 103 1HD ARG 103 7.864 -6.337 -5.445 758 2HD ARG 103 2HD ARG 103 7.792 -8.096 -5.548 759 HE ARG 103 HE ARG 103 9.810 -8.072 -6.831 760 1HH1 ARG 103 1HH1 ARG 103 11.522 -4.791 -6.587 761 2HH1 ARG 103 2HH1 ARG 103 11.572 -6.187 -5.564 762 1HH2 ARG 103 1HH2 ARG 103 8.595 -5.746 -8.199 763 2HH2 ARG 103 2HH2 ARG 103 9.834 -4.539 -8.081 764 H ILE 104 H ILE 104 7.907 -8.728 -0.056 765 HA ILE 104 HA ILE 104 10.620 -9.567 0.164 766 HB ILE 104 HB ILE 104 8.305 -9.739 2.118 767 1HG1 ILE 104 1HG1 ILE 104 9.401 -7.510 1.266 768 2HG1 ILE 104 2HG1 ILE 104 10.733 -7.970 2.327 769 1HG2 ILE 104 1HG2 ILE 104 11.232 -10.431 2.484 770 2HG2 ILE 104 2HG2 ILE 104 9.828 -11.431 2.856 771 3HG2 ILE 104 3HG2 ILE 104 10.182 -10.009 3.837 772 1HD1 ILE 104 1HD1 ILE 104 8.052 -6.973 3.009 773 2HD1 ILE 104 2HD1 ILE 104 9.531 -6.961 3.968 774 3HD1 ILE 104 3HD1 ILE 104 8.520 -8.405 3.925 775 H PHE 105 H PHE 105 7.629 -11.420 -0.151 776 HA PHE 105 HA PHE 105 8.749 -13.973 0.600 777 1HB PHE 105 1HB PHE 105 6.741 -14.818 -0.828 778 2HB PHE 105 2HB PHE 105 6.293 -13.115 -0.921 779 HD1 PHE 105 HD1 PHE 105 4.829 -12.335 0.705 780 HD2 PHE 105 HD2 PHE 105 7.482 -15.573 1.673 781 HE1 PHE 105 HE1 PHE 105 3.833 -12.474 2.971 782 HE2 PHE 105 HE2 PHE 105 6.485 -15.710 3.940 783 HZ PHE 105 HZ PHE 105 4.661 -14.160 4.588 784 H ASP 106 H ASP 106 8.316 -12.322 -2.556 785 HA ASP 106 HA ASP 106 9.636 -14.577 -3.921 786 1HB ASP 106 1HB ASP 106 7.964 -13.655 -5.303 787 2HB ASP 106 2HB ASP 106 9.452 -12.986 -5.959 788 H LYS 107 H LYS 107 11.758 -14.688 -3.331 789 HA LYS 107 HA LYS 107 13.455 -12.381 -2.922 790 1HB LYS 107 1HB LYS 107 15.304 -14.044 -2.884 791 2HB LYS 107 2HB LYS 107 14.175 -15.288 -3.423 792 1HG LYS 107 1HG LYS 107 12.755 -14.618 -1.376 793 2HG LYS 107 2HG LYS 107 14.195 -13.773 -0.807 794 1HD LYS 107 1HD LYS 107 14.745 -16.503 -1.746 795 2HD LYS 107 2HD LYS 107 13.631 -16.452 -0.379 796 1HE LYS 107 1HE LYS 107 16.053 -14.710 -0.244 797 2HE LYS 107 2HE LYS 107 16.294 -16.445 -0.043 798 1HZ LYS 107 1HZ LYS 107 14.403 -14.762 1.514 799 2HZ LYS 107 2HZ LYS 107 15.888 -15.367 2.074 800 3HZ LYS 107 3HZ LYS 107 14.619 -16.433 1.704 801 H ASN 108 H ASN 108 12.385 -14.003 -5.770 802 HA ASN 108 HA ASN 108 14.700 -13.187 -7.396 803 1HB ASN 108 1HB ASN 108 12.157 -14.122 -8.653 804 2HB ASN 108 2HB ASN 108 13.049 -15.282 -7.667 805 1HD2 ASN 108 1HD2 ASN 108 15.047 -16.103 -8.510 806 2HD2 ASN 108 2HD2 ASN 108 15.653 -15.672 -10.037 807 H ALA 109 H ALA 109 11.643 -11.876 -6.419 808 HA ALA 109 HA ALA 109 10.581 -9.867 -6.939 809 1HB ALA 109 1HB ALA 109 13.410 -9.411 -7.787 810 2HB ALA 109 2HB ALA 109 12.434 -8.534 -6.612 811 3HB ALA 109 3HB ALA 109 12.199 -8.254 -8.335 812 H ASP 110 H ASP 110 9.867 -11.949 -8.541 813 HA ASP 110 HA ASP 110 10.028 -11.010 -11.355 814 1HB ASP 110 1HB ASP 110 8.583 -13.492 -10.449 815 2HB ASP 110 2HB ASP 110 10.343 -13.478 -10.559 816 H GLY 111 H GLY 111 7.674 -11.550 -8.747 817 1HA GLY 111 1HA GLY 111 5.505 -10.505 -10.500 818 2HA GLY 111 2HA GLY 111 5.851 -9.670 -8.989 819 H PHE 112 H PHE 112 6.229 -13.144 -9.053 820 HA PHE 112 HA PHE 112 3.781 -13.373 -7.357 821 1HB PHE 112 1HB PHE 112 3.062 -15.350 -8.460 822 2HB PHE 112 2HB PHE 112 4.593 -15.529 -9.312 823 HD1 PHE 112 HD1 PHE 112 4.906 -14.559 -11.450 824 HD2 PHE 112 HD2 PHE 112 1.604 -13.307 -9.005 825 HE1 PHE 112 HE1 PHE 112 3.999 -13.246 -13.347 826 HE2 PHE 112 HE2 PHE 112 0.697 -11.995 -10.903 827 HZ PHE 112 HZ PHE 112 1.894 -11.964 -13.074 828 H ILE 113 H ILE 113 3.863 -15.228 -5.879 829 HA ILE 113 HA ILE 113 6.655 -15.826 -5.039 830 HB ILE 113 HB ILE 113 3.975 -15.971 -3.636 831 1HG1 ILE 113 1HG1 ILE 113 6.510 -14.353 -3.327 832 2HG1 ILE 113 2HG1 ILE 113 5.350 -14.505 -2.009 833 1HG2 ILE 113 1HG2 ILE 113 5.390 -16.692 -1.626 834 2HG2 ILE 113 2HG2 ILE 113 6.650 -17.104 -2.790 835 3HG2 ILE 113 3HG2 ILE 113 5.091 -17.928 -2.849 836 1HD1 ILE 113 1HD1 ILE 113 3.624 -13.849 -3.929 837 2HD1 ILE 113 2HD1 ILE 113 5.062 -13.109 -4.633 838 3HD1 ILE 113 3HD1 ILE 113 4.510 -12.617 -3.032 839 H ASP 114 H ASP 114 7.491 -17.821 -5.422 840 HA ASP 114 HA ASP 114 5.716 -19.941 -6.486 841 1HB ASP 114 1HB ASP 114 7.755 -21.082 -7.124 842 2HB ASP 114 2HB ASP 114 8.726 -19.987 -6.144 843 H ILE 115 H ILE 115 5.908 -22.166 -5.615 844 HA ILE 115 HA ILE 115 5.630 -22.237 -2.763 845 HB ILE 115 HB ILE 115 4.638 -23.814 -4.535 846 1HG1 ILE 115 1HG1 ILE 115 4.256 -25.435 -2.911 847 2HG1 ILE 115 2HG1 ILE 115 4.700 -24.041 -1.942 848 1HG2 ILE 115 1HG2 ILE 115 7.321 -25.176 -4.169 849 2HG2 ILE 115 2HG2 ILE 115 6.759 -24.399 -5.647 850 3HG2 ILE 115 3HG2 ILE 115 5.936 -25.834 -5.040 851 1HD1 ILE 115 1HD1 ILE 115 6.070 -26.617 -2.242 852 2HD1 ILE 115 2HD1 ILE 115 6.230 -25.402 -0.973 853 3HD1 ILE 115 3HD1 ILE 115 7.148 -25.240 -2.470 854 H GLU 116 H GLU 116 8.331 -22.919 -4.944 855 HA GLU 116 HA GLU 116 10.042 -24.082 -2.923 856 1HB GLU 116 1HB GLU 116 10.496 -24.425 -5.324 857 2HB GLU 116 2HB GLU 116 11.879 -23.681 -4.529 858 1HG GLU 116 1HG GLU 116 10.074 -21.633 -5.495 859 2HG GLU 116 2HG GLU 116 10.501 -22.729 -6.805 860 H GLU 117 H GLU 117 9.406 -20.784 -4.028 861 HA GLU 117 HA GLU 117 11.555 -19.520 -2.598 862 1HB GLU 117 1HB GLU 117 9.710 -17.561 -2.673 863 2HB GLU 117 2HB GLU 117 8.994 -18.644 -3.867 864 1HG GLU 117 1HG GLU 117 10.524 -17.028 -4.940 865 2HG GLU 117 2HG GLU 117 11.119 -18.678 -5.120 866 H LEU 118 H LEU 118 8.112 -20.076 -1.776 867 HA LEU 118 HA LEU 118 8.349 -18.975 0.892 868 1HB LEU 118 1HB LEU 118 6.284 -20.974 -0.057 869 2HB LEU 118 2HB LEU 118 6.195 -19.251 -0.428 870 HG LEU 118 HG LEU 118 6.638 -20.032 2.425 871 1HD1 LEU 118 1HD1 LEU 118 5.124 -17.876 0.933 872 2HD1 LEU 118 2HD1 LEU 118 6.570 -17.689 1.926 873 3HD1 LEU 118 3HD1 LEU 118 5.025 -18.077 2.682 874 1HD2 LEU 118 1HD2 LEU 118 3.959 -20.234 1.006 875 2HD2 LEU 118 2HD2 LEU 118 4.193 -20.314 2.753 876 3HD2 LEU 118 3HD2 LEU 118 4.856 -21.576 1.716 877 H GLY 119 H GLY 119 8.391 -22.314 -0.390 878 1HA GLY 119 1HA GLY 119 9.289 -24.272 0.533 879 2HA GLY 119 2HA GLY 119 8.465 -23.764 2.003 880 H GLU 120 H GLU 120 11.298 -22.395 0.258 881 HA GLU 120 HA GLU 120 13.212 -23.261 2.227 882 1HB GLU 120 1HB GLU 120 14.521 -21.209 1.182 883 2HB GLU 120 2HB GLU 120 13.232 -21.284 -0.024 884 1HG GLU 120 1HG GLU 120 14.526 -23.863 0.742 885 2HG GLU 120 2HG GLU 120 15.487 -22.747 -0.228 886 H ILE 121 H ILE 121 11.303 -20.275 1.861 887 HA ILE 121 HA ILE 121 12.597 -18.772 3.925 888 HB ILE 121 HB ILE 121 9.768 -18.679 2.831 889 1HG1 ILE 121 1HG1 ILE 121 11.878 -18.034 1.454 890 2HG1 ILE 121 2HG1 ILE 121 11.970 -16.634 2.521 891 1HG2 ILE 121 1HG2 ILE 121 9.628 -17.773 5.060 892 2HG2 ILE 121 2HG2 ILE 121 9.703 -16.401 3.954 893 3HG2 ILE 121 3HG2 ILE 121 11.139 -16.886 4.857 894 1HD1 ILE 121 1HD1 ILE 121 9.288 -17.182 1.386 895 2HD1 ILE 121 2HD1 ILE 121 10.514 -16.693 0.217 896 3HD1 ILE 121 3HD1 ILE 121 10.134 -15.647 1.586 897 H LEU 122 H LEU 122 9.830 -21.035 4.024 898 HA LEU 122 HA LEU 122 9.359 -20.706 6.861 899 1HB LEU 122 1HB LEU 122 8.250 -23.079 6.458 900 2HB LEU 122 2HB LEU 122 8.493 -22.667 4.760 901 HG LEU 122 HG LEU 122 7.352 -20.437 5.280 902 1HD1 LEU 122 1HD1 LEU 122 6.255 -22.373 4.126 903 2HD1 LEU 122 2HD1 LEU 122 5.125 -21.391 5.058 904 3HD1 LEU 122 3HD1 LEU 122 5.685 -22.937 5.697 905 1HD2 LEU 122 1HD2 LEU 122 6.828 -21.965 7.840 906 2HD2 LEU 122 2HD2 LEU 122 5.765 -20.666 7.300 907 3HD2 LEU 122 3HD2 LEU 122 7.459 -20.327 7.657 908 NH1 ARG 123 NH1 ARG 123 13.832 -29.469 3.926 909 NH2 ARG 123 NH2 ARG 123 15.933 -29.465 4.776 910 H ARG 123 H ARG 123 11.268 -23.011 4.923 911 HA ARG 123 HA ARG 123 12.047 -24.645 7.174 912 1HB ARG 123 1HB ARG 123 12.765 -24.411 4.293 913 2HB ARG 123 2HB ARG 123 12.335 -25.839 5.231 914 1HG ARG 123 1HG ARG 123 14.619 -25.539 6.393 915 2HG ARG 123 2HG ARG 123 14.994 -24.432 5.072 916 1HD ARG 123 1HD ARG 123 15.757 -26.407 4.141 917 2HD ARG 123 2HD ARG 123 14.080 -26.463 3.602 918 HE ARG 123 HE ARG 123 14.220 -27.722 6.149 919 1HH1 ARG 123 1HH1 ARG 123 14.011 -30.347 3.482 920 2HH1 ARG 123 2HH1 ARG 123 12.939 -29.030 3.822 921 1HH2 ARG 123 1HH2 ARG 123 16.646 -29.025 5.322 922 2HH2 ARG 123 2HH2 ARG 123 16.115 -30.343 4.333 923 H ALA 124 H ALA 124 13.432 -21.779 5.601 924 HA ALA 124 HA ALA 124 16.027 -21.773 6.679 925 1HB ALA 124 1HB ALA 124 15.911 -19.293 6.477 926 2HB ALA 124 2HB ALA 124 14.176 -19.426 6.192 927 3HB ALA 124 3HB ALA 124 15.316 -20.124 5.041 928 H THR 125 H THR 125 13.003 -21.169 8.384 929 HA THR 125 HA THR 125 14.071 -19.699 10.597 930 HB THR 125 HB THR 125 12.069 -20.490 11.839 931 HG1 THR 125 HG1 THR 125 11.173 -22.274 11.250 932 1HG2 THR 125 1HG2 THR 125 11.540 -19.688 8.963 933 2HG2 THR 125 2HG2 THR 125 11.846 -18.588 10.306 934 3HG2 THR 125 3HG2 THR 125 10.377 -19.564 10.282 935 H GLY 126 H GLY 126 13.534 -23.222 10.195 936 1HA GLY 126 1HA GLY 126 15.907 -23.892 11.699 937 2HA GLY 126 2HA GLY 126 14.664 -25.030 11.181 938 H GLU 127 H GLU 127 12.548 -23.376 12.581 939 HA GLU 127 HA GLU 127 13.280 -23.566 15.423 940 1HB GLU 127 1HB GLU 127 10.804 -22.901 15.695 941 2HB GLU 127 2HB GLU 127 10.785 -22.715 13.941 942 1HG GLU 127 1HG GLU 127 11.373 -20.563 14.594 943 2HG GLU 127 2HG GLU 127 12.969 -21.285 14.397 944 H HIS 128 H HIS 128 10.292 -24.777 13.859 945 HA HIS 128 HA HIS 128 10.821 -27.557 14.315 946 1HB HIS 128 1HB HIS 128 8.768 -26.651 16.288 947 2HB HIS 128 2HB HIS 128 10.459 -26.384 16.709 948 HD1 HIS 128 HD1 HIS 128 11.735 -28.368 17.569 949 HD2 HIS 128 HD2 HIS 128 8.209 -29.499 15.652 950 HE1 HIS 128 HE1 HIS 128 11.504 -30.868 17.908 951 H VAL 129 H VAL 129 9.824 -26.465 12.092 952 HA VAL 129 HA VAL 129 6.858 -26.744 12.208 953 HB VAL 129 HB VAL 129 7.633 -24.682 11.163 954 1HG1 VAL 129 1HG1 VAL 129 9.830 -25.230 10.401 955 2HG1 VAL 129 2HG1 VAL 129 8.889 -24.890 8.948 956 3HG1 VAL 129 3HG1 VAL 129 9.227 -26.558 9.410 957 1HG2 VAL 129 1HG2 VAL 129 6.650 -26.592 9.033 958 2HG2 VAL 129 2HG2 VAL 129 6.433 -24.843 9.064 959 3HG2 VAL 129 3HG2 VAL 129 5.617 -25.854 10.256 960 H ILE 130 H ILE 130 5.795 -28.089 10.670 961 HA ILE 130 HA ILE 130 7.482 -30.370 9.726 962 HB ILE 130 HB ILE 130 4.968 -31.343 9.497 963 1HG1 ILE 130 1HG1 ILE 130 4.167 -29.089 10.515 964 2HG1 ILE 130 2HG1 ILE 130 4.784 -29.727 12.038 965 1HG2 ILE 130 1HG2 ILE 130 6.769 -31.269 11.927 966 2HG2 ILE 130 2HG2 ILE 130 6.693 -32.511 10.678 967 3HG2 ILE 130 3HG2 ILE 130 5.357 -32.320 11.812 968 1HD1 ILE 130 1HD1 ILE 130 2.432 -30.300 11.870 969 2HD1 ILE 130 2HD1 ILE 130 3.371 -31.779 11.664 970 3HD1 ILE 130 3HD1 ILE 130 2.670 -30.977 10.258 971 H GLU 131 H GLU 131 7.089 -31.241 7.608 972 HA GLU 131 HA GLU 131 6.480 -29.251 5.597 973 1HB GLU 131 1HB GLU 131 6.851 -31.077 3.999 974 2HB GLU 131 2HB GLU 131 6.784 -32.258 5.302 975 1HG GLU 131 1HG GLU 131 9.125 -31.681 4.633 976 2HG GLU 131 2HG GLU 131 8.785 -31.306 6.320 977 H GLU 132 H GLU 132 4.675 -31.854 7.148 978 HA GLU 132 HA GLU 132 2.465 -31.920 5.309 979 1HB GLU 132 1HB GLU 132 1.228 -32.704 7.497 980 2HB GLU 132 2HB GLU 132 2.852 -32.719 8.186 981 1HG GLU 132 1HG GLU 132 3.595 -34.194 6.321 982 2HG GLU 132 2HG GLU 132 1.941 -34.219 5.708 983 H ASP 133 H ASP 133 3.321 -29.830 8.027 984 HA ASP 133 HA ASP 133 0.720 -28.477 8.064 985 1HB ASP 133 1HB ASP 133 3.353 -27.614 9.304 986 2HB ASP 133 2HB ASP 133 2.178 -28.666 10.093 987 H ILE 134 H ILE 134 4.005 -27.762 6.832 988 HA ILE 134 HA ILE 134 3.419 -25.132 5.856 989 HB ILE 134 HB ILE 134 5.455 -27.180 4.910 990 1HG1 ILE 134 1HG1 ILE 134 5.486 -26.148 7.311 991 2HG1 ILE 134 2HG1 ILE 134 5.988 -24.668 6.494 992 1HG2 ILE 134 1HG2 ILE 134 6.566 -24.964 4.063 993 2HG2 ILE 134 2HG2 ILE 134 4.923 -24.326 4.109 994 3HG2 ILE 134 3HG2 ILE 134 5.301 -25.711 3.086 995 1HD1 ILE 134 1HD1 ILE 134 8.052 -25.508 5.968 996 2HD1 ILE 134 2HD1 ILE 134 7.432 -27.136 5.690 997 3HD1 ILE 134 3HD1 ILE 134 7.731 -26.575 7.335 998 H GLU 135 H GLU 135 3.492 -28.277 4.128 999 HA GLU 135 HA GLU 135 2.537 -27.289 1.625 1000 1HB GLU 135 1HB GLU 135 1.853 -30.043 2.641 1001 2HB GLU 135 2HB GLU 135 3.520 -29.624 2.248 1002 1HG GLU 135 1HG GLU 135 2.787 -30.445 0.201 1003 2HG GLU 135 2HG GLU 135 2.440 -28.729 0.006 1004 H ASP 136 H ASP 136 0.695 -28.851 4.293 1005 HA ASP 136 HA ASP 136 -1.870 -28.572 3.100 1006 1HB ASP 136 1HB ASP 136 -1.447 -28.384 6.077 1007 2HB ASP 136 2HB ASP 136 -1.191 -29.900 5.213 1008 H LEU 137 H LEU 137 0.039 -26.258 4.997 1009 HA LEU 137 HA LEU 137 -2.033 -24.356 5.496 1010 1HB LEU 137 1HB LEU 137 0.882 -23.715 4.990 1011 2HB LEU 137 2HB LEU 137 0.295 -24.386 6.510 1012 HG LEU 137 HG LEU 137 -1.005 -21.926 5.371 1013 1HD1 LEU 137 1HD1 LEU 137 -1.845 -23.272 7.398 1014 2HD1 LEU 137 2HD1 LEU 137 -1.626 -21.538 7.637 1015 3HD1 LEU 137 3HD1 LEU 137 -0.418 -22.671 8.243 1016 1HD2 LEU 137 1HD2 LEU 137 1.612 -22.092 6.887 1017 2HD2 LEU 137 2HD2 LEU 137 0.644 -20.620 6.803 1018 3HD2 LEU 137 3HD2 LEU 137 1.321 -21.317 5.331 1019 H MET 138 H MET 138 0.210 -24.713 2.737 1020 HA MET 138 HA MET 138 -0.731 -22.360 1.352 1021 1HB MET 138 1HB MET 138 0.456 -24.744 -0.056 1022 2HB MET 138 2HB MET 138 1.458 -23.740 0.992 1023 1HG MET 138 1HG MET 138 0.720 -21.732 -0.321 1024 2HG MET 138 2HG MET 138 -0.135 -22.815 -1.419 1025 1HE MET 138 1HE MET 138 0.809 -21.702 -3.066 1026 2HE MET 138 2HE MET 138 2.047 -22.536 -4.001 1027 3HE MET 138 3HE MET 138 2.471 -21.097 -3.079 1028 H LYS 139 H LYS 139 -1.340 -25.852 0.729 1029 HA LYS 139 HA LYS 139 -3.347 -25.429 -1.264 1030 1HB LYS 139 1HB LYS 139 -2.202 -27.585 -0.968 1031 2HB LYS 139 2HB LYS 139 -3.950 -27.790 -0.879 1032 1HG LYS 139 1HG LYS 139 -3.209 -27.261 1.757 1033 2HG LYS 139 2HG LYS 139 -1.912 -28.292 1.158 1034 1HD LYS 139 1HD LYS 139 -3.336 -29.992 1.666 1035 2HD LYS 139 2HD LYS 139 -4.116 -29.562 0.144 1036 1HE LYS 139 1HE LYS 139 -5.341 -27.781 1.732 1037 2HE LYS 139 2HE LYS 139 -4.976 -29.002 2.950 1038 1HZ LYS 139 1HZ LYS 139 -6.079 -30.655 1.605 1039 2HZ LYS 139 2HZ LYS 139 -6.385 -29.512 0.386 1040 3HZ LYS 139 3HZ LYS 139 -7.136 -29.362 1.902 1041 H ASP 140 H ASP 140 -3.554 -24.907 2.123 1042 HA ASP 140 HA ASP 140 -6.493 -25.320 2.171 1043 1HB ASP 140 1HB ASP 140 -4.733 -24.396 4.457 1044 2HB ASP 140 2HB ASP 140 -4.968 -26.098 4.064 1045 H SER 141 H SER 141 -4.100 -22.777 1.961 1046 HA SER 141 HA SER 141 -5.940 -20.646 2.760 1047 1HB SER 141 1HB SER 141 -4.099 -19.168 1.814 1048 2HB SER 141 2HB SER 141 -3.206 -20.644 1.454 1049 HG SER 141 HG SER 141 -2.881 -19.532 3.593 1050 H ASP 142 H ASP 142 -4.637 -21.946 -0.314 1051 HA ASP 142 HA ASP 142 -6.378 -20.113 -1.843 1052 1HB ASP 142 1HB ASP 142 -4.462 -20.328 -3.104 1053 2HB ASP 142 2HB ASP 142 -5.391 -21.654 -3.780 1054 H LYS 143 H LYS 143 -8.436 -20.664 -2.332 1055 HA LYS 143 HA LYS 143 -9.524 -23.255 -1.683 1056 1HB LYS 143 1HB LYS 143 -11.605 -22.383 -2.390 1057 2HB LYS 143 2HB LYS 143 -10.852 -21.264 -3.524 1058 1HG LYS 143 1HG LYS 143 -11.572 -19.976 -1.623 1059 2HG LYS 143 2HG LYS 143 -9.829 -20.084 -1.526 1060 1HD LYS 143 1HD LYS 143 -9.891 -21.650 0.218 1061 2HD LYS 143 2HD LYS 143 -11.556 -22.116 -0.133 1062 1HE LYS 143 1HE LYS 143 -10.990 -19.278 0.659 1063 2HE LYS 143 2HE LYS 143 -11.002 -20.518 1.912 1064 1HZ LYS 143 1HZ LYS 143 -13.213 -21.171 1.211 1065 2HZ LYS 143 2HZ LYS 143 -13.203 -19.995 -0.015 1066 3HZ LYS 143 3HZ LYS 143 -13.188 -19.525 1.617 1067 H ASN 144 H ASN 144 -8.863 -21.644 -4.818 1068 HA ASN 144 HA ASN 144 -9.296 -24.243 -6.198 1069 1HB ASN 144 1HB ASN 144 -8.490 -21.783 -7.694 1070 2HB ASN 144 2HB ASN 144 -10.094 -21.796 -6.962 1071 1HD2 ASN 144 1HD2 ASN 144 -8.474 -22.618 -9.795 1072 2HD2 ASN 144 2HD2 ASN 144 -9.551 -23.790 -10.385 1073 H ASN 145 H ASN 145 -6.810 -21.691 -5.877 1074 HA ASN 145 HA ASN 145 -4.483 -21.820 -5.922 1075 1HB ASN 145 1HB ASN 145 -4.762 -24.828 -6.109 1076 2HB ASN 145 2HB ASN 145 -4.866 -23.948 -4.584 1077 1HD2 ASN 145 1HD2 ASN 145 -2.689 -25.654 -6.406 1078 2HD2 ASN 145 2HD2 ASN 145 -1.253 -24.875 -5.947 1079 H ASP 146 H ASP 146 -3.092 -21.535 -7.609 1080 HA ASP 146 HA ASP 146 -3.829 -22.798 -10.226 1081 1HB ASP 146 1HB ASP 146 -3.069 -20.807 -11.341 1082 2HB ASP 146 2HB ASP 146 -2.381 -20.162 -9.852 1083 H GLY 147 H GLY 147 -1.227 -21.921 -8.013 1084 1HA GLY 147 1HA GLY 147 0.870 -22.967 -9.790 1085 2HA GLY 147 2HA GLY 147 0.527 -23.954 -8.365 1086 NH1 ARG 148 NH1 ARG 148 5.917 -22.819 -10.308 1087 NH2 ARG 148 NH2 ARG 148 5.010 -22.672 -12.383 1088 H ARG 148 H ARG 148 0.794 -20.441 -9.009 1089 HA ARG 148 HA ARG 148 2.778 -20.253 -6.786 1090 1HB ARG 148 1HB ARG 148 3.320 -18.031 -7.956 1091 2HB ARG 148 2HB ARG 148 2.349 -18.630 -9.298 1092 1HG ARG 148 1HG ARG 148 4.497 -20.373 -8.140 1093 2HG ARG 148 2HG ARG 148 4.937 -19.076 -9.245 1094 1HD ARG 148 1HD ARG 148 2.990 -20.089 -10.717 1095 2HD ARG 148 2HD ARG 148 3.320 -21.541 -9.772 1096 HE ARG 148 HE ARG 148 5.446 -20.151 -11.357 1097 1HH1 ARG 148 1HH1 ARG 148 5.282 -23.616 -12.570 1098 2HH1 ARG 148 2HH1 ARG 148 4.528 -22.143 -13.082 1099 1HH2 ARG 148 1HH2 ARG 148 6.128 -22.403 -9.423 1100 2HH2 ARG 148 2HH2 ARG 148 6.190 -23.764 -10.492 1101 H ILE 149 H ILE 149 2.683 -17.992 -5.724 1102 HA ILE 149 HA ILE 149 -0.180 -17.368 -5.141 1103 HB ILE 149 HB ILE 149 2.323 -16.662 -3.569 1104 1HG1 ILE 149 1HG1 ILE 149 1.429 -18.345 -1.941 1105 2HG1 ILE 149 2HG1 ILE 149 1.907 -19.061 -3.478 1106 1HG2 ILE 149 1HG2 ILE 149 -0.626 -16.187 -3.108 1107 2HG2 ILE 149 2HG2 ILE 149 0.690 -15.014 -3.070 1108 3HG2 ILE 149 3HG2 ILE 149 0.529 -16.201 -1.775 1109 1HD1 ILE 149 1HD1 ILE 149 -0.468 -19.587 -2.325 1110 2HD1 ILE 149 2HD1 ILE 149 -0.262 -19.554 -4.076 1111 3HD1 ILE 149 3HD1 ILE 149 -0.924 -18.149 -3.239 1112 H ASP 150 H ASP 150 -0.925 -15.645 -6.273 1113 HA ASP 150 HA ASP 150 1.004 -13.513 -7.061 1114 1HB ASP 150 1HB ASP 150 -0.144 -14.040 -9.012 1115 2HB ASP 150 2HB ASP 150 -1.131 -12.719 -8.397 1116 H PHE 151 H PHE 151 -0.034 -11.241 -7.052 1117 HA PHE 151 HA PHE 151 -0.657 -10.536 -4.353 1118 1HB PHE 151 1HB PHE 151 -1.384 -8.772 -6.680 1119 2HB PHE 151 2HB PHE 151 0.310 -9.084 -6.298 1120 HD1 PHE 151 HD1 PHE 151 -2.545 -7.092 -5.535 1121 HD2 PHE 151 HD2 PHE 151 1.010 -8.762 -3.799 1122 HE1 PHE 151 HE1 PHE 151 -2.660 -5.429 -3.699 1123 HE2 PHE 151 HE2 PHE 151 0.895 -7.102 -1.963 1124 HZ PHE 151 HZ PHE 151 -0.940 -5.433 -1.913 1125 H ASP 152 H ASP 152 -2.697 -11.553 -6.992 1126 HA ASP 152 HA ASP 152 -5.176 -10.384 -6.111 1127 1HB ASP 152 1HB ASP 152 -6.251 -11.885 -7.619 1128 2HB ASP 152 2HB ASP 152 -4.945 -13.052 -7.524 1129 H GLU 153 H GLU 153 -4.079 -13.777 -5.807 1130 HA GLU 153 HA GLU 153 -6.013 -14.445 -3.772 1131 1HB GLU 153 1HB GLU 153 -4.492 -16.471 -3.457 1132 2HB GLU 153 2HB GLU 153 -3.451 -15.774 -4.698 1133 1HG GLU 153 1HG GLU 153 -5.728 -15.614 -6.051 1134 2HG GLU 153 2HG GLU 153 -6.221 -16.900 -4.952 1135 H PHE 154 H PHE 154 -2.788 -13.077 -3.697 1136 HA PHE 154 HA PHE 154 -1.992 -13.617 -1.040 1137 1HB PHE 154 1HB PHE 154 -1.539 -11.158 -2.754 1138 2HB PHE 154 2HB PHE 154 -0.512 -12.586 -2.683 1139 HD1 PHE 154 HD1 PHE 154 0.270 -13.241 -0.197 1140 HD2 PHE 154 HD2 PHE 154 -0.935 -9.324 -1.479 1141 HE1 PHE 154 HE1 PHE 154 1.529 -12.234 1.687 1142 HE2 PHE 154 HE2 PHE 154 0.320 -8.321 0.401 1143 HZ PHE 154 HZ PHE 154 1.554 -9.774 1.988 1144 H LEU 155 H LEU 155 -4.271 -11.198 -2.284 1145 HA LEU 155 HA LEU 155 -4.515 -9.549 0.013 1146 1HB LEU 155 1HB LEU 155 -6.784 -9.012 -0.839 1147 2HB LEU 155 2HB LEU 155 -6.668 -10.359 -1.969 1148 HG LEU 155 HG LEU 155 -4.499 -9.227 -2.791 1149 1HD1 LEU 155 1HD1 LEU 155 -7.222 -7.969 -3.222 1150 2HD1 LEU 155 2HD1 LEU 155 -6.506 -9.283 -4.155 1151 3HD1 LEU 155 3HD1 LEU 155 -5.820 -7.661 -4.244 1152 1HD2 LEU 155 1HD2 LEU 155 -4.566 -6.719 -2.459 1153 2HD2 LEU 155 2HD2 LEU 155 -4.174 -7.635 -1.004 1154 3HD2 LEU 155 3HD2 LEU 155 -5.797 -6.981 -1.222 1155 H LYS 156 H LYS 156 -6.654 -12.292 -0.906 1156 HA LYS 156 HA LYS 156 -7.907 -12.383 1.707 1157 1HB LYS 156 1HB LYS 156 -7.826 -14.711 -0.214 1158 2HB LYS 156 2HB LYS 156 -8.812 -13.290 -0.553 1159 1HG LYS 156 1HG LYS 156 -8.973 -14.863 2.035 1160 2HG LYS 156 2HG LYS 156 -10.038 -15.140 0.657 1161 1HD LYS 156 1HD LYS 156 -10.446 -12.540 0.827 1162 2HD LYS 156 2HD LYS 156 -9.869 -12.755 2.479 1163 1HE LYS 156 1HE LYS 156 -11.642 -14.849 2.204 1164 2HE LYS 156 2HE LYS 156 -12.416 -13.580 1.257 1165 1HZ LYS 156 1HZ LYS 156 -12.159 -12.086 3.161 1166 2HZ LYS 156 2HZ LYS 156 -11.490 -13.357 4.070 1167 3HZ LYS 156 3HZ LYS 156 -13.104 -13.441 3.545 1168 H MET 157 H MET 157 -5.018 -13.805 0.334 1169 HA MET 157 HA MET 157 -4.635 -16.008 2.081 1170 1HB MET 157 1HB MET 157 -2.206 -14.467 1.397 1171 2HB MET 157 2HB MET 157 -3.215 -14.901 0.017 1172 1HG MET 157 1HG MET 157 -2.720 -17.109 0.204 1173 2HG MET 157 2HG MET 157 -2.848 -17.078 1.961 1174 1HE MET 157 1HE MET 157 -1.327 -16.293 3.509 1175 2HE MET 157 2HE MET 157 -0.616 -14.808 2.880 1176 3HE MET 157 3HE MET 157 0.429 -16.148 3.344 1177 H MET 158 H MET 158 -3.820 -12.558 2.500 1178 HA MET 158 HA MET 158 -2.609 -13.022 5.124 1179 1HB MET 158 1HB MET 158 -3.402 -10.265 4.536 1180 2HB MET 158 2HB MET 158 -2.484 -10.987 3.216 1181 1HG MET 158 1HG MET 158 -1.564 -11.226 6.083 1182 2HG MET 158 2HG MET 158 -1.146 -9.823 5.099 1183 1HE MET 158 1HE MET 158 1.148 -10.311 5.696 1184 2HE MET 158 2HE MET 158 1.264 -9.856 3.998 1185 3HE MET 158 3HE MET 158 2.214 -11.209 4.607 1186 H GLU 159 H GLU 159 -3.796 -10.745 6.484 1187 HA GLU 159 HA GLU 159 -6.036 -12.021 7.731 1188 1HB GLU 159 1HB GLU 159 -4.633 -10.340 8.884 1189 2HB GLU 159 2HB GLU 159 -6.339 -9.904 8.941 1190 1HG GLU 159 1HG GLU 159 -6.059 -8.276 7.183 1191 2HG GLU 159 2HG GLU 159 -4.418 -8.831 6.855 1192 H GLY 160 H GLY 160 -5.833 -9.677 5.086 1193 1HA GLY 160 1HA GLY 160 -8.780 -9.981 4.716 1194 2HA GLY 160 2HA GLY 160 -7.638 -9.640 3.417 1195 H VAL 161 H VAL 161 -8.313 -7.632 2.715 1196 HA VAL 161 HA VAL 161 -8.131 -5.409 4.682 1197 HB VAL 161 HB VAL 161 -6.739 -5.298 2.616 1198 1HG1 VAL 161 1HG1 VAL 161 -7.576 -5.653 0.554 1199 2HG1 VAL 161 2HG1 VAL 161 -8.923 -4.549 0.830 1200 3HG1 VAL 161 3HG1 VAL 161 -9.040 -6.230 1.348 1201 1HG2 VAL 161 1HG2 VAL 161 -7.012 -3.012 2.389 1202 2HG2 VAL 161 2HG2 VAL 161 -7.953 -3.275 3.856 1203 3HG2 VAL 161 3HG2 VAL 161 -8.770 -3.122 2.300 1204 H GLN 162 H GLN 162 -10.339 -6.538 5.327 1205 HA GLN 162 HA GLN 162 -12.652 -5.881 3.686 1206 1HB GLN 162 1HB GLN 162 -12.768 -6.478 6.640 1207 2HB GLN 162 2HB GLN 162 -12.399 -7.754 5.480 1208 1HG GLN 162 1HG GLN 162 -14.500 -7.186 4.250 1209 2HG GLN 162 2HG GLN 162 -14.880 -6.004 5.504 1210 1HE2 GLN 162 1HE2 GLN 162 -15.366 -6.847 7.692 1211 2HE2 GLN 162 2HE2 GLN 162 -15.814 -8.470 7.909 Start of MODEL 6 Raw file had 1211 H/Q atoms Start of MODEL 6 1 1H ALA 1 1H ALA 1 -16.750 -11.831 20.676 2 2H ALA 1 2H ALA 1 -17.595 -12.601 19.418 3 3H ALA 1 3H ALA 1 -17.659 -13.228 20.995 4 HA ALA 1 HA ALA 1 -19.704 -12.060 20.449 5 1HB ALA 1 1HB ALA 1 -17.993 -10.563 22.461 6 2HB ALA 1 2HB ALA 1 -18.841 -12.074 22.789 7 3HB ALA 1 3HB ALA 1 -19.756 -10.612 22.422 8 H SER 2 H SER 2 -20.093 -10.901 18.591 9 HA SER 2 HA SER 2 -19.283 -8.060 18.562 10 1HB SER 2 1HB SER 2 -18.664 -8.457 16.031 11 2HB SER 2 2HB SER 2 -18.350 -10.105 16.567 12 HG SER 2 HG SER 2 -16.993 -7.769 17.152 13 H MET 3 H MET 3 -21.391 -7.352 18.588 14 HA MET 3 HA MET 3 -23.299 -8.504 16.611 15 1HB MET 3 1HB MET 3 -24.187 -8.420 18.859 16 2HB MET 3 2HB MET 3 -25.019 -7.198 17.903 17 1HG MET 3 1HG MET 3 -23.204 -5.566 18.787 18 2HG MET 3 2HG MET 3 -22.876 -6.810 19.993 19 1HE MET 3 1HE MET 3 -25.374 -4.921 18.107 20 2HE MET 3 2HE MET 3 -25.245 -3.657 19.328 21 3HE MET 3 3HE MET 3 -26.742 -4.572 19.174 22 H THR 4 H THR 4 -21.592 -5.521 17.416 23 HA THR 4 HA THR 4 -22.528 -4.376 14.831 24 HB THR 4 HB THR 4 -22.633 -2.107 16.089 25 HG1 THR 4 HG1 THR 4 -21.806 -3.002 18.058 26 1HG2 THR 4 1HG2 THR 4 -25.022 -2.619 16.807 27 2HG2 THR 4 2HG2 THR 4 -24.705 -4.293 16.356 28 3HG2 THR 4 3HG2 THR 4 -24.625 -3.020 15.138 29 H ASP 5 H ASP 5 -20.298 -5.070 14.252 30 HA ASP 5 HA ASP 5 -18.040 -3.760 15.557 31 1HB ASP 5 1HB ASP 5 -18.110 -5.074 12.820 32 2HB ASP 5 2HB ASP 5 -17.884 -5.965 14.325 33 H GLN 6 H GLN 6 -19.528 -3.441 12.311 34 HA GLN 6 HA GLN 6 -18.138 -0.976 11.713 35 1HB GLN 6 1HB GLN 6 -18.933 -2.412 9.901 36 2HB GLN 6 2HB GLN 6 -19.702 -0.831 9.789 37 1HG GLN 6 1HG GLN 6 -21.751 -1.664 10.733 38 2HG GLN 6 2HG GLN 6 -20.998 -3.197 11.165 39 1HE2 GLN 6 1HE2 GLN 6 -22.001 -4.710 9.798 40 2HE2 GLN 6 2HE2 GLN 6 -22.124 -4.547 8.114 41 H GLN 7 H GLN 7 -21.385 -1.705 12.998 42 HA GLN 7 HA GLN 7 -22.321 1.021 12.857 43 1HB GLN 7 1HB GLN 7 -23.955 0.074 14.697 44 2HB GLN 7 2HB GLN 7 -23.243 -1.475 14.243 45 1HG GLN 7 1HG GLN 7 -23.742 -0.758 11.804 46 2HG GLN 7 2HG GLN 7 -24.797 0.459 12.522 47 1HE2 GLN 7 1HE2 GLN 7 -24.250 -3.083 12.345 48 2HE2 GLN 7 2HE2 GLN 7 -25.844 -3.506 12.744 49 H ALA 8 H ALA 8 -21.042 -0.914 15.600 50 HA ALA 8 HA ALA 8 -21.151 1.321 17.437 51 1HB ALA 8 1HB ALA 8 -20.000 -0.087 18.983 52 2HB ALA 8 2HB ALA 8 -19.345 -1.089 17.688 53 3HB ALA 8 3HB ALA 8 -21.068 -1.142 18.058 54 H GLU 9 H GLU 9 -19.099 0.903 14.786 55 HA GLU 9 HA GLU 9 -16.934 2.455 16.147 56 1HB GLU 9 1HB GLU 9 -15.521 1.612 14.171 57 2HB GLU 9 2HB GLU 9 -16.838 0.478 13.868 58 1HG GLU 9 1HG GLU 9 -16.601 -0.469 16.087 59 2HG GLU 9 2HG GLU 9 -15.411 0.756 16.530 60 H ALA 10 H ALA 10 -18.541 2.058 12.969 61 HA ALA 10 HA ALA 10 -17.533 4.454 11.811 62 1HB ALA 10 1HB ALA 10 -18.658 2.725 10.476 63 2HB ALA 10 2HB ALA 10 -19.462 4.280 10.260 64 3HB ALA 10 3HB ALA 10 -20.178 3.055 11.307 65 NH1 ARG 11 NH1 ARG 11 -22.947 4.907 20.315 66 NH2 ARG 11 NH2 ARG 11 -22.652 2.782 19.585 67 H ARG 11 H ARG 11 -20.148 3.914 14.112 68 HA ARG 11 HA ARG 11 -21.403 6.497 13.743 69 1HB ARG 11 1HB ARG 11 -22.579 4.611 14.829 70 2HB ARG 11 2HB ARG 11 -22.562 6.047 15.846 71 1HG ARG 11 1HG ARG 11 -20.288 4.198 16.258 72 2HG ARG 11 2HG ARG 11 -21.864 3.559 16.715 73 1HD ARG 11 1HD ARG 11 -22.168 5.885 17.890 74 2HD ARG 11 2HD ARG 11 -20.409 5.954 17.806 75 HE ARG 11 HE ARG 11 -20.298 4.074 19.309 76 1HH1 ARG 11 1HH1 ARG 11 -23.778 4.629 20.798 77 2HH1 ARG 11 2HH1 ARG 11 -22.644 5.859 20.353 78 1HH2 ARG 11 1HH2 ARG 11 -22.125 2.111 19.064 79 2HH2 ARG 11 2HH2 ARG 11 -23.482 2.500 20.066 80 H ALA 12 H ALA 12 -18.889 5.277 15.957 81 HA ALA 12 HA ALA 12 -18.576 7.792 17.364 82 1HB ALA 12 1HB ALA 12 -16.643 5.469 17.077 83 2HB ALA 12 2HB ALA 12 -17.863 5.629 18.341 84 3HB ALA 12 3HB ALA 12 -16.520 6.770 18.261 85 H PHE 13 H PHE 13 -17.717 6.779 14.220 86 HA PHE 13 HA PHE 13 -15.202 8.153 13.917 87 1HB PHE 13 1HB PHE 13 -17.009 7.939 11.565 88 2HB PHE 13 2HB PHE 13 -16.574 6.427 12.356 89 HD1 PHE 13 HD1 PHE 13 -14.522 5.406 11.855 90 HD2 PHE 13 HD2 PHE 13 -15.040 9.595 11.060 91 HE1 PHE 13 HE1 PHE 13 -12.298 5.474 10.762 92 HE2 PHE 13 HE2 PHE 13 -12.816 9.663 9.968 93 HZ PHE 13 HZ PHE 13 -11.445 7.603 9.819 94 H LEU 14 H LEU 14 -18.585 9.173 13.285 95 HA LEU 14 HA LEU 14 -17.553 11.967 12.998 96 1HB LEU 14 1HB LEU 14 -19.224 12.507 11.506 97 2HB LEU 14 2HB LEU 14 -20.364 11.350 12.166 98 HG LEU 14 HG LEU 14 -19.481 10.870 9.816 99 1HD1 LEU 14 1HD1 LEU 14 -17.101 9.505 10.742 100 2HD1 LEU 14 2HD1 LEU 14 -16.999 11.233 11.071 101 3HD1 LEU 14 3HD1 LEU 14 -17.284 10.665 9.428 102 1HD2 LEU 14 1HD2 LEU 14 -20.181 9.168 11.898 103 2HD2 LEU 14 2HD2 LEU 14 -18.686 8.469 11.279 104 3HD2 LEU 14 3HD2 LEU 14 -20.053 8.723 10.197 105 H SER 15 H SER 15 -18.295 13.476 14.445 106 HA SER 15 HA SER 15 -19.670 12.559 16.828 107 1HB SER 15 1HB SER 15 -19.566 14.911 17.537 108 2HB SER 15 2HB SER 15 -19.106 15.396 15.910 109 HG SER 15 HG SER 15 -17.164 15.112 16.667 110 H GLU 16 H GLU 16 -21.692 13.873 17.596 111 HA GLU 16 HA GLU 16 -23.856 13.330 15.816 112 1HB GLU 16 1HB GLU 16 -24.461 15.413 17.778 113 2HB GLU 16 2HB GLU 16 -23.610 14.045 18.496 114 1HG GLU 16 1HG GLU 16 -25.305 12.581 17.181 115 2HG GLU 16 2HG GLU 16 -26.244 14.066 17.022 116 H GLU 17 H GLU 17 -21.835 16.167 16.164 117 HA GLU 17 HA GLU 17 -23.613 18.023 14.829 118 1HB GLU 17 1HB GLU 17 -20.605 18.243 14.757 119 2HB GLU 17 2HB GLU 17 -21.476 18.505 16.268 120 1HG GLU 17 1HG GLU 17 -22.596 20.390 15.445 121 2HG GLU 17 2HG GLU 17 -22.366 19.913 13.762 122 H MET 18 H MET 18 -20.920 15.939 13.788 123 HA MET 18 HA MET 18 -21.061 16.683 11.000 124 1HB MET 18 1HB MET 18 -20.043 14.042 11.259 125 2HB MET 18 2HB MET 18 -19.470 14.952 12.653 126 1HG MET 18 1HG MET 18 -18.600 16.708 11.173 127 2HG MET 18 2HG MET 18 -19.216 15.845 9.764 128 1HE MET 18 1HE MET 18 -15.570 16.255 11.390 129 2HE MET 18 2HE MET 18 -16.694 17.027 10.276 130 3HE MET 18 3HE MET 18 -15.483 15.908 9.658 131 H ILE 19 H ILE 19 -22.198 13.829 12.822 132 HA ILE 19 HA ILE 19 -23.487 12.441 10.735 133 HB ILE 19 HB ILE 19 -24.335 12.709 13.639 134 1HG1 ILE 19 1HG1 ILE 19 -22.010 11.760 12.977 135 2HG1 ILE 19 2HG1 ILE 19 -22.908 10.389 12.328 136 1HG2 ILE 19 1HG2 ILE 19 -26.241 11.856 12.507 137 2HG2 ILE 19 2HG2 ILE 19 -25.408 10.422 13.109 138 3HG2 ILE 19 3HG2 ILE 19 -25.256 10.883 11.413 139 1HD1 ILE 19 1HD1 ILE 19 -23.949 10.016 14.527 140 2HD1 ILE 19 2HD1 ILE 19 -23.096 11.416 15.179 141 3HD1 ILE 19 3HD1 ILE 19 -22.190 9.990 14.672 142 H ALA 20 H ALA 20 -24.657 15.255 12.576 143 HA ALA 20 HA ALA 20 -27.365 15.220 11.649 144 1HB ALA 20 1HB ALA 20 -26.543 16.656 13.513 145 2HB ALA 20 2HB ALA 20 -27.430 17.576 12.297 146 3HB ALA 20 3HB ALA 20 -25.668 17.638 12.338 147 H GLU 21 H GLU 21 -24.479 16.907 10.354 148 HA GLU 21 HA GLU 21 -25.803 18.085 8.100 149 1HB GLU 21 1HB GLU 21 -22.899 17.211 8.212 150 2HB GLU 21 2HB GLU 21 -23.492 18.686 8.975 151 1HG GLU 21 1HG GLU 21 -24.407 19.373 6.717 152 2HG GLU 21 2HG GLU 21 -23.561 17.990 6.024 153 H PHE 22 H PHE 22 -24.256 14.923 8.586 154 HA PHE 22 HA PHE 22 -24.462 14.086 5.822 155 1HB PHE 22 1HB PHE 22 -23.932 11.860 6.644 156 2HB PHE 22 2HB PHE 22 -24.344 12.324 8.292 157 HD1 PHE 22 HD1 PHE 22 -22.213 11.952 9.347 158 HD2 PHE 22 HD2 PHE 22 -22.490 14.446 5.856 159 HE1 PHE 22 HE1 PHE 22 -19.888 12.729 9.707 160 HE2 PHE 22 HE2 PHE 22 -20.166 15.218 6.222 161 HZ PHE 22 HZ PHE 22 -18.865 14.359 8.148 162 H LYS 23 H LYS 23 -26.662 14.053 8.574 163 HA LYS 23 HA LYS 23 -28.552 12.149 7.531 164 1HB LYS 23 1HB LYS 23 -29.282 14.495 9.289 165 2HB LYS 23 2HB LYS 23 -28.385 13.115 9.921 166 1HG LYS 23 1HG LYS 23 -30.187 11.602 9.196 167 2HG LYS 23 2HG LYS 23 -31.075 12.968 8.523 168 1HD LYS 23 1HD LYS 23 -30.626 13.852 11.067 169 2HD LYS 23 2HD LYS 23 -30.762 12.115 11.342 170 1HE LYS 23 1HE LYS 23 -32.781 13.548 9.622 171 2HE LYS 23 2HE LYS 23 -32.934 13.568 11.378 172 1HZ LYS 23 1HZ LYS 23 -32.824 11.124 11.339 173 2HZ LYS 23 2HZ LYS 23 -32.808 11.163 9.640 174 3HZ LYS 23 3HZ LYS 23 -34.164 11.728 10.492 175 H ALA 24 H ALA 24 -28.060 15.614 6.979 176 HA ALA 24 HA ALA 24 -30.578 16.170 5.734 177 1HB ALA 24 1HB ALA 24 -28.015 17.499 4.878 178 2HB ALA 24 2HB ALA 24 -28.681 17.802 6.483 179 3HB ALA 24 3HB ALA 24 -29.622 18.205 5.048 180 H ALA 25 H ALA 25 -27.425 15.281 4.310 181 HA ALA 25 HA ALA 25 -28.385 15.107 1.602 182 1HB ALA 25 1HB ALA 25 -25.986 15.323 2.174 183 2HB ALA 25 2HB ALA 25 -26.281 13.914 1.156 184 3HB ALA 25 3HB ALA 25 -26.019 13.711 2.887 185 H PHE 26 H PHE 26 -28.292 12.823 4.287 186 HA PHE 26 HA PHE 26 -28.817 10.420 2.810 187 1HB PHE 26 1HB PHE 26 -29.481 11.213 5.666 188 2HB PHE 26 2HB PHE 26 -28.052 10.336 5.127 189 HD1 PHE 26 HD1 PHE 26 -28.310 8.036 4.141 190 HD2 PHE 26 HD2 PHE 26 -31.552 10.092 6.065 191 HE1 PHE 26 HE1 PHE 26 -29.525 5.888 4.383 192 HE2 PHE 26 HE2 PHE 26 -32.770 7.943 6.306 193 HZ PHE 26 HZ PHE 26 -31.754 5.843 5.467 194 H ASP 27 H ASP 27 -30.967 12.831 4.320 195 HA ASP 27 HA ASP 27 -33.428 11.468 3.762 196 1HB ASP 27 1HB ASP 27 -32.840 14.412 4.158 197 2HB ASP 27 2HB ASP 27 -33.306 13.263 5.407 198 H MET 28 H MET 28 -31.310 13.369 1.708 199 HA MET 28 HA MET 28 -33.225 14.171 -0.275 200 1HB MET 28 1HB MET 28 -31.373 14.597 -1.717 201 2HB MET 28 2HB MET 28 -30.366 13.400 -0.907 202 1HG MET 28 1HG MET 28 -29.740 15.722 -0.286 203 2HG MET 28 2HG MET 28 -30.286 14.782 1.101 204 1HE MET 28 1HE MET 28 -30.159 17.706 -0.619 205 2HE MET 28 2HE MET 28 -30.404 18.276 1.030 206 3HE MET 28 3HE MET 28 -31.550 18.726 -0.231 207 H PHE 29 H PHE 29 -31.055 11.332 -0.135 208 HA PHE 29 HA PHE 29 -32.082 10.029 -2.462 209 1HB PHE 29 1HB PHE 29 -31.319 7.919 -0.957 210 2HB PHE 29 2HB PHE 29 -30.500 9.211 -0.080 211 HD1 PHE 29 HD1 PHE 29 -30.591 7.231 -3.138 212 HD2 PHE 29 HD2 PHE 29 -28.898 10.718 -1.285 213 HE1 PHE 29 HE1 PHE 29 -28.839 7.314 -4.893 214 HE2 PHE 29 HE2 PHE 29 -27.146 10.799 -3.039 215 HZ PHE 29 HZ PHE 29 -27.118 9.098 -4.843 216 H ASP 30 H ASP 30 -33.277 10.264 0.795 217 HA ASP 30 HA ASP 30 -35.271 8.132 0.492 218 1HB ASP 30 1HB ASP 30 -35.126 10.247 2.640 219 2HB ASP 30 2HB ASP 30 -34.122 8.800 2.673 220 H ALA 31 H ALA 31 -35.547 10.029 -1.550 221 HA ALA 31 HA ALA 31 -37.406 12.134 -1.010 222 1HB ALA 31 1HB ALA 31 -35.978 11.739 -3.127 223 2HB ALA 31 2HB ALA 31 -37.611 12.366 -3.354 224 3HB ALA 31 3HB ALA 31 -37.274 10.658 -3.639 225 H ASP 32 H ASP 32 -37.866 8.683 -1.411 226 HA ASP 32 HA ASP 32 -40.743 8.925 -1.943 227 1HB ASP 32 1HB ASP 32 -39.654 6.336 -0.988 228 2HB ASP 32 2HB ASP 32 -38.936 6.959 -2.474 229 H GLY 33 H GLY 33 -38.647 8.469 0.865 230 1HA GLY 33 1HA GLY 33 -41.105 8.392 2.577 231 2HA GLY 33 2HA GLY 33 -39.658 9.293 3.016 232 H GLY 34 H GLY 34 -39.769 7.965 5.020 233 1HA GLY 34 1HA GLY 34 -38.711 5.194 4.620 234 2HA GLY 34 2HA GLY 34 -39.640 5.700 6.031 235 H GLY 35 H GLY 35 -37.473 4.623 6.894 236 1HA GLY 35 1HA GLY 35 -35.879 5.547 8.548 237 2HA GLY 35 2HA GLY 35 -35.555 6.862 7.418 238 H ASP 36 H ASP 36 -35.399 5.147 5.061 239 HA ASP 36 HA ASP 36 -32.621 4.332 5.273 240 1HB ASP 36 1HB ASP 36 -33.096 2.237 6.065 241 2HB ASP 36 2HB ASP 36 -33.435 1.916 4.370 242 H ILE 37 H ILE 37 -31.844 3.427 3.146 243 HA ILE 37 HA ILE 37 -33.417 4.654 0.917 244 HB ILE 37 HB ILE 37 -30.552 3.708 0.732 245 1HG1 ILE 37 1HG1 ILE 37 -29.860 6.034 1.290 246 2HG1 ILE 37 2HG1 ILE 37 -30.649 5.246 2.653 247 1HG2 ILE 37 1HG2 ILE 37 -31.544 4.231 -1.385 248 2HG2 ILE 37 2HG2 ILE 37 -30.534 5.613 -0.959 249 3HG2 ILE 37 3HG2 ILE 37 -32.283 5.701 -0.750 250 1HD1 ILE 37 1HD1 ILE 37 -32.492 6.691 0.851 251 2HD1 ILE 37 2HD1 ILE 37 -31.331 7.723 1.684 252 3HD1 ILE 37 3HD1 ILE 37 -32.414 6.688 2.614 253 H SER 38 H SER 38 -33.647 3.398 -1.084 254 HA SER 38 HA SER 38 -33.283 0.452 -0.678 255 1HB SER 38 1HB SER 38 -35.433 0.147 -1.937 256 2HB SER 38 2HB SER 38 -35.668 1.892 -1.879 257 HG SER 38 HG SER 38 -36.679 0.633 -0.151 258 H THR 39 H THR 39 -33.604 -0.696 -2.929 259 HA THR 39 HA THR 39 -31.570 0.287 -4.715 260 HB THR 39 HB THR 39 -33.606 -1.662 -5.719 261 HG1 THR 39 HG1 THR 39 -31.727 -2.283 -3.685 262 1HG2 THR 39 1HG2 THR 39 -31.804 -1.499 -7.167 263 2HG2 THR 39 2HG2 THR 39 -31.277 -2.833 -6.143 264 3HG2 THR 39 3HG2 THR 39 -30.650 -1.209 -5.866 265 H LYS 40 H LYS 40 -35.137 0.251 -4.913 266 HA LYS 40 HA LYS 40 -35.324 1.431 -7.520 267 1HB LYS 40 1HB LYS 40 -37.339 1.796 -5.291 268 2HB LYS 40 2HB LYS 40 -37.180 0.283 -6.176 269 1HG LYS 40 1HG LYS 40 -37.535 2.918 -7.600 270 2HG LYS 40 2HG LYS 40 -38.922 1.984 -7.039 271 1HD LYS 40 1HD LYS 40 -38.693 0.454 -8.701 272 2HD LYS 40 2HD LYS 40 -36.946 0.359 -8.483 273 1HE LYS 40 1HE LYS 40 -37.194 1.277 -10.647 274 2HE LYS 40 2HE LYS 40 -36.885 2.684 -9.631 275 1HZ LYS 40 1HZ LYS 40 -38.785 2.928 -11.199 276 2HZ LYS 40 2HZ LYS 40 -39.188 3.192 -9.569 277 3HZ LYS 40 3HZ LYS 40 -39.607 1.728 -10.325 278 H GLU 41 H GLU 41 -35.762 2.926 -4.300 279 HA GLU 41 HA GLU 41 -35.966 5.620 -5.078 280 1HB GLU 41 1HB GLU 41 -34.705 6.005 -2.790 281 2HB GLU 41 2HB GLU 41 -34.901 4.262 -2.619 282 1HG GLU 41 1HG GLU 41 -37.340 4.514 -2.971 283 2HG GLU 41 2HG GLU 41 -37.131 6.259 -3.120 284 H LEU 42 H LEU 42 -33.065 3.612 -4.761 285 HA LEU 42 HA LEU 42 -31.092 5.666 -4.938 286 1HB LEU 42 1HB LEU 42 -30.302 3.254 -6.347 287 2HB LEU 42 2HB LEU 42 -31.131 2.853 -4.847 288 HG LEU 42 HG LEU 42 -28.781 4.758 -5.110 289 1HD1 LEU 42 1HD1 LEU 42 -30.717 4.872 -3.208 290 2HD1 LEU 42 2HD1 LEU 42 -29.031 5.284 -2.898 291 3HD1 LEU 42 3HD1 LEU 42 -29.639 3.683 -2.480 292 1HD2 LEU 42 1HD2 LEU 42 -28.638 2.062 -5.253 293 2HD2 LEU 42 2HD2 LEU 42 -28.648 2.257 -3.500 294 3HD2 LEU 42 3HD2 LEU 42 -27.398 3.041 -4.468 295 H GLY 43 H GLY 43 -32.363 3.560 -7.564 296 1HA GLY 43 1HA GLY 43 -32.556 3.949 -9.869 297 2HA GLY 43 2HA GLY 43 -31.075 4.889 -9.715 298 H THR 44 H THR 44 -34.066 5.682 -8.005 299 HA THR 44 HA THR 44 -35.024 7.625 -9.917 300 HB THR 44 HB THR 44 -35.569 7.755 -6.948 301 HG1 THR 44 HG1 THR 44 -36.657 5.959 -8.859 302 1HG2 THR 44 1HG2 THR 44 -37.488 8.119 -9.246 303 2HG2 THR 44 2HG2 THR 44 -36.452 9.438 -8.698 304 3HG2 THR 44 3HG2 THR 44 -37.625 8.720 -7.594 305 H VAL 45 H VAL 45 -33.038 7.881 -6.962 306 HA VAL 45 HA VAL 45 -32.761 10.757 -7.106 307 HB VAL 45 HB VAL 45 -30.952 8.761 -5.705 308 1HG1 VAL 45 1HG1 VAL 45 -31.376 11.744 -5.505 309 2HG1 VAL 45 2HG1 VAL 45 -29.860 10.861 -5.681 310 3HG1 VAL 45 3HG1 VAL 45 -30.729 10.823 -4.147 311 1HG2 VAL 45 1HG2 VAL 45 -33.623 8.976 -5.265 312 2HG2 VAL 45 2HG2 VAL 45 -33.041 10.273 -4.224 313 3HG2 VAL 45 3HG2 VAL 45 -32.463 8.625 -3.984 314 H MET 46 H MET 46 -30.981 8.071 -8.568 315 HA MET 46 HA MET 46 -28.616 9.566 -9.269 316 1HB MET 46 1HB MET 46 -28.115 7.766 -10.799 317 2HB MET 46 2HB MET 46 -29.798 7.243 -10.819 318 1HG MET 46 1HG MET 46 -29.506 6.001 -8.971 319 2HG MET 46 2HG MET 46 -28.774 7.350 -8.103 320 1HE MET 46 1HE MET 46 -27.088 6.899 -6.966 321 2HE MET 46 2HE MET 46 -25.940 7.725 -8.019 322 3HE MET 46 3HE MET 46 -25.550 6.129 -7.380 323 NH1 ARG 47 NH1 ARG 47 -36.480 6.404 -14.773 324 NH2 ARG 47 NH2 ARG 47 -35.129 5.924 -16.532 325 H ARG 47 H ARG 47 -31.592 8.788 -11.089 326 HA ARG 47 HA ARG 47 -30.910 10.292 -13.430 327 1HB ARG 47 1HB ARG 47 -33.605 10.343 -13.502 328 2HB ARG 47 2HB ARG 47 -33.374 9.065 -12.306 329 1HG ARG 47 1HG ARG 47 -31.535 8.294 -14.107 330 2HG ARG 47 2HG ARG 47 -32.639 9.131 -15.194 331 1HD ARG 47 1HD ARG 47 -33.881 7.296 -13.209 332 2HD ARG 47 2HD ARG 47 -32.955 6.537 -14.503 333 HE ARG 47 HE ARG 47 -34.787 8.545 -15.526 334 1HH1 ARG 47 1HH1 ARG 47 -35.729 5.166 -16.788 335 2HH1 ARG 47 2HH1 ARG 47 -34.314 6.123 -17.077 336 1HH2 ARG 47 1HH2 ARG 47 -36.696 6.968 -13.976 337 2HH2 ARG 47 2HH2 ARG 47 -37.081 5.646 -15.027 338 H MET 48 H MET 48 -32.022 11.338 -10.295 339 HA MET 48 HA MET 48 -33.267 13.816 -11.038 340 1HB MET 48 1HB MET 48 -32.361 14.525 -8.684 341 2HB MET 48 2HB MET 48 -31.871 12.837 -8.550 342 1HG MET 48 1HG MET 48 -34.079 12.058 -8.622 343 2HG MET 48 2HG MET 48 -34.674 13.525 -9.399 344 1HE MET 48 1HE MET 48 -35.932 12.736 -5.543 345 2HE MET 48 2HE MET 48 -34.787 11.595 -6.244 346 3HE MET 48 3HE MET 48 -36.140 12.179 -7.209 347 H LEU 49 H LEU 49 -29.919 12.825 -10.521 348 HA LEU 49 HA LEU 49 -28.699 15.439 -10.793 349 1HB LEU 49 1HB LEU 49 -26.684 13.987 -11.516 350 2HB LEU 49 2HB LEU 49 -27.713 12.602 -11.189 351 HG LEU 49 HG LEU 49 -26.628 14.630 -9.247 352 1HD1 LEU 49 1HD1 LEU 49 -28.098 13.607 -7.518 353 2HD1 LEU 49 2HD1 LEU 49 -28.936 12.711 -8.783 354 3HD1 LEU 49 3HD1 LEU 49 -29.032 14.471 -8.739 355 1HD2 LEU 49 1HD2 LEU 49 -25.284 12.674 -9.637 356 2HD2 LEU 49 2HD2 LEU 49 -26.689 11.617 -9.505 357 3HD2 LEU 49 3HD2 LEU 49 -26.078 12.452 -8.078 358 H GLY 50 H GLY 50 -29.358 12.715 -12.969 359 1HA GLY 50 1HA GLY 50 -28.639 14.413 -15.320 360 2HA GLY 50 2HA GLY 50 -30.216 13.627 -15.271 361 H GLN 51 H GLN 51 -27.890 11.664 -13.721 362 HA GLN 51 HA GLN 51 -26.963 10.347 -16.197 363 1HB GLN 51 1HB GLN 51 -26.550 9.307 -13.399 364 2HB GLN 51 2HB GLN 51 -25.600 10.664 -14.001 365 1HG GLN 51 1HG GLN 51 -24.457 9.355 -15.523 366 2HG GLN 51 2HG GLN 51 -25.809 8.247 -15.746 367 1HE2 GLN 51 1HE2 GLN 51 -26.165 6.598 -13.993 368 2HE2 GLN 51 2HE2 GLN 51 -24.871 6.156 -12.988 369 H ASN 52 H ASN 52 -27.509 8.188 -16.743 370 HA ASN 52 HA ASN 52 -29.964 7.127 -15.395 371 1HB ASN 52 1HB ASN 52 -30.234 6.018 -17.787 372 2HB ASN 52 2HB ASN 52 -29.220 7.367 -18.295 373 1HD2 ASN 52 1HD2 ASN 52 -32.302 6.659 -18.470 374 2HD2 ASN 52 2HD2 ASN 52 -33.039 8.124 -18.037 375 HA PRO 53 HA PRO 53 -26.692 3.971 -14.884 376 1HB PRO 53 1HB PRO 53 -26.373 4.591 -12.690 377 2HB PRO 53 2HB PRO 53 -27.500 3.270 -12.351 378 1HG PRO 53 1HG PRO 53 -27.946 5.905 -11.626 379 2HG PRO 53 2HG PRO 53 -29.244 4.731 -11.895 380 1HD PRO 53 1HD PRO 53 -28.446 7.044 -13.546 381 2HD PRO 53 2HD PRO 53 -29.948 6.096 -13.605 382 H THR 54 H THR 54 -27.139 1.575 -13.915 383 HA THR 54 HA THR 54 -29.659 0.652 -15.226 384 HB THR 54 HB THR 54 -28.512 -1.112 -16.057 385 HG1 THR 54 HG1 THR 54 -27.330 -2.472 -14.767 386 1HG2 THR 54 1HG2 THR 54 -26.841 0.768 -16.314 387 2HG2 THR 54 2HG2 THR 54 -26.144 -0.851 -16.335 388 3HG2 THR 54 3HG2 THR 54 -26.022 0.141 -14.882 389 H LYS 55 H LYS 55 -30.855 -1.107 -14.169 390 HA LYS 55 HA LYS 55 -31.264 -0.606 -11.349 391 1HB LYS 55 1HB LYS 55 -32.772 -2.666 -11.554 392 2HB LYS 55 2HB LYS 55 -32.308 -2.710 -13.254 393 1HG LYS 55 1HG LYS 55 -33.033 -0.215 -13.294 394 2HG LYS 55 2HG LYS 55 -33.860 -0.582 -11.779 395 1HD LYS 55 1HD LYS 55 -34.247 -2.321 -14.214 396 2HD LYS 55 2HD LYS 55 -35.191 -0.846 -14.000 397 1HE LYS 55 1HE LYS 55 -35.878 -1.702 -11.735 398 2HE LYS 55 2HE LYS 55 -35.057 -3.216 -12.109 399 1HZ LYS 55 1HZ LYS 55 -37.339 -2.020 -13.584 400 2HZ LYS 55 2HZ LYS 55 -37.361 -3.432 -12.642 401 3HZ LYS 55 3HZ LYS 55 -36.487 -3.394 -14.097 402 H GLU 56 H GLU 56 -29.901 -3.383 -13.153 403 HA GLU 56 HA GLU 56 -29.258 -4.932 -10.828 404 1HB GLU 56 1HB GLU 56 -29.371 -5.961 -13.050 405 2HB GLU 56 2HB GLU 56 -27.778 -6.224 -12.346 406 1HG GLU 56 1HG GLU 56 -27.126 -4.037 -13.617 407 2HG GLU 56 2HG GLU 56 -28.576 -4.349 -14.568 408 H GLU 57 H GLU 57 -27.554 -2.300 -12.445 409 HA GLU 57 HA GLU 57 -24.985 -2.781 -11.177 410 1HB GLU 57 1HB GLU 57 -25.354 0.009 -11.742 411 2HB GLU 57 2HB GLU 57 -26.061 -0.921 -13.062 412 1HG GLU 57 1HG GLU 57 -23.333 -1.618 -11.982 413 2HG GLU 57 2HG GLU 57 -23.525 -0.336 -13.177 414 H LEU 58 H LEU 58 -27.766 -0.689 -10.462 415 HA LEU 58 HA LEU 58 -26.637 0.473 -8.078 416 1HB LEU 58 1HB LEU 58 -29.319 0.716 -7.713 417 2HB LEU 58 2HB LEU 58 -29.262 0.418 -9.451 418 HG LEU 58 HG LEU 58 -27.476 2.221 -9.583 419 1HD1 LEU 58 1HD1 LEU 58 -29.073 3.928 -9.796 420 2HD1 LEU 58 2HD1 LEU 58 -30.022 3.338 -8.433 421 3HD1 LEU 58 3HD1 LEU 58 -30.045 2.466 -9.965 422 1HD2 LEU 58 1HD2 LEU 58 -27.432 1.958 -6.855 423 2HD2 LEU 58 2HD2 LEU 58 -28.438 3.394 -7.051 424 3HD2 LEU 58 3HD2 LEU 58 -26.810 3.358 -7.727 425 H ASP 59 H ASP 59 -28.583 -2.388 -8.708 426 HA ASP 59 HA ASP 59 -29.249 -3.026 -5.991 427 1HB ASP 59 1HB ASP 59 -28.788 -5.007 -8.242 428 2HB ASP 59 2HB ASP 59 -30.269 -4.064 -8.078 429 H ALA 60 H ALA 60 -26.413 -3.699 -8.014 430 HA ALA 60 HA ALA 60 -25.146 -5.496 -6.122 431 1HB ALA 60 1HB ALA 60 -24.077 -3.875 -8.449 432 2HB ALA 60 2HB ALA 60 -24.422 -5.604 -8.416 433 3HB ALA 60 3HB ALA 60 -23.068 -4.957 -7.490 434 H ILE 61 H ILE 61 -25.148 -2.021 -6.664 435 HA ILE 61 HA ILE 61 -22.970 -1.269 -4.992 436 HB ILE 61 HB ILE 61 -25.513 0.087 -5.894 437 1HG1 ILE 61 1HG1 ILE 61 -23.338 -0.329 -7.292 438 2HG1 ILE 61 2HG1 ILE 61 -22.671 0.991 -6.330 439 1HG2 ILE 61 1HG2 ILE 61 -24.487 2.203 -4.878 440 2HG2 ILE 61 2HG2 ILE 61 -23.439 1.137 -3.943 441 3HG2 ILE 61 3HG2 ILE 61 -25.187 1.067 -3.724 442 1HD1 ILE 61 1HD1 ILE 61 -25.067 2.068 -7.034 443 2HD1 ILE 61 2HD1 ILE 61 -24.758 1.046 -8.438 444 3HD1 ILE 61 3HD1 ILE 61 -23.593 2.287 -7.978 445 H ILE 62 H ILE 62 -26.337 -2.094 -4.233 446 HA ILE 62 HA ILE 62 -26.016 -1.338 -1.404 447 HB ILE 62 HB ILE 62 -28.305 -2.814 -2.747 448 1HG1 ILE 62 1HG1 ILE 62 -27.856 -0.589 -3.772 449 2HG1 ILE 62 2HG1 ILE 62 -27.965 0.151 -2.178 450 1HG2 ILE 62 1HG2 ILE 62 -28.543 -3.109 -0.420 451 2HG2 ILE 62 2HG2 ILE 62 -29.511 -1.672 -0.739 452 3HG2 ILE 62 3HG2 ILE 62 -27.893 -1.512 -0.057 453 1HD1 ILE 62 1HD1 ILE 62 -30.306 -1.078 -2.113 454 2HD1 ILE 62 2HD1 ILE 62 -30.132 -1.053 -3.868 455 3HD1 ILE 62 3HD1 ILE 62 -30.136 0.459 -2.961 456 H GLU 63 H GLU 63 -26.043 -4.275 -3.383 457 HA GLU 63 HA GLU 63 -26.183 -6.209 -1.300 458 1HB GLU 63 1HB GLU 63 -24.409 -7.164 -3.325 459 2HB GLU 63 2HB GLU 63 -25.642 -6.185 -4.117 460 1HG GLU 63 1HG GLU 63 -26.709 -8.254 -4.030 461 2HG GLU 63 2HG GLU 63 -27.278 -7.517 -2.532 462 H GLU 64 H GLU 64 -23.356 -4.583 -2.757 463 HA GLU 64 HA GLU 64 -21.389 -5.964 -1.171 464 1HB GLU 64 1HB GLU 64 -20.587 -3.261 -1.883 465 2HB GLU 64 2HB GLU 64 -21.359 -4.073 -3.245 466 1HG GLU 64 1HG GLU 64 -19.753 -6.068 -2.256 467 2HG GLU 64 2HG GLU 64 -18.777 -4.638 -1.926 468 H VAL 65 H VAL 65 -23.227 -2.968 -0.665 469 HA VAL 65 HA VAL 65 -21.794 -2.148 1.711 470 HB VAL 65 HB VAL 65 -24.596 -1.466 0.750 471 1HG1 VAL 65 1HG1 VAL 65 -24.500 -0.961 3.094 472 2HG1 VAL 65 2HG1 VAL 65 -24.229 0.562 2.250 473 3HG1 VAL 65 3HG1 VAL 65 -22.867 -0.310 2.953 474 1HG2 VAL 65 1HG2 VAL 65 -22.484 -0.866 -0.652 475 2HG2 VAL 65 2HG2 VAL 65 -22.148 0.293 0.634 476 3HG2 VAL 65 3HG2 VAL 65 -23.639 0.418 -0.298 477 H ASP 66 H ASP 66 -24.504 -4.328 1.118 478 HA ASP 66 HA ASP 66 -25.375 -4.509 3.865 479 1HB ASP 66 1HB ASP 66 -26.446 -6.696 2.972 480 2HB ASP 66 2HB ASP 66 -25.850 -6.177 1.396 481 H GLU 67 H GLU 67 -23.040 -4.722 4.631 482 HA GLU 67 HA GLU 67 -21.496 -7.086 4.259 483 1HB GLU 67 1HB GLU 67 -20.772 -6.397 6.736 484 2HB GLU 67 2HB GLU 67 -21.652 -4.931 6.324 485 1HG GLU 67 1HG GLU 67 -20.148 -5.366 4.055 486 2HG GLU 67 2HG GLU 67 -19.059 -5.904 5.333 487 H ASP 68 H ASP 68 -24.078 -6.302 6.578 488 HA ASP 68 HA ASP 68 -23.867 -8.876 7.949 489 1HB ASP 68 1HB ASP 68 -24.653 -6.831 9.125 490 2HB ASP 68 2HB ASP 68 -25.844 -8.127 9.196 491 H GLY 69 H GLY 69 -25.843 -7.493 5.355 492 1HA GLY 69 1HA GLY 69 -26.969 -10.215 4.877 493 2HA GLY 69 2HA GLY 69 -26.780 -8.970 3.642 494 H SER 70 H SER 70 -27.966 -6.772 4.603 495 HA SER 70 HA SER 70 -30.566 -7.480 5.826 496 1HB SER 70 1HB SER 70 -29.894 -4.709 4.892 497 2HB SER 70 2HB SER 70 -29.056 -5.353 6.299 498 HG SER 70 HG SER 70 -30.831 -5.307 7.430 499 H GLY 71 H GLY 71 -29.614 -5.498 2.972 500 1HA GLY 71 1HA GLY 71 -32.189 -6.243 1.690 501 2HA GLY 71 2HA GLY 71 -30.698 -6.607 0.824 502 H THR 72 H THR 72 -32.028 -3.808 2.640 503 HA THR 72 HA THR 72 -31.412 -2.095 0.270 504 HB THR 72 HB THR 72 -33.038 -0.519 1.170 505 HG1 THR 72 HG1 THR 72 -33.451 -2.347 3.291 506 1HG2 THR 72 1HG2 THR 72 -34.376 -3.184 1.522 507 2HG2 THR 72 2HG2 THR 72 -33.726 -2.726 -0.053 508 3HG2 THR 72 3HG2 THR 72 -34.973 -1.738 0.708 509 H ILE 73 H ILE 73 -31.139 0.399 1.359 510 HA ILE 73 HA ILE 73 -28.681 0.065 3.014 511 HB ILE 73 HB ILE 73 -29.545 2.678 1.818 512 1HG1 ILE 73 1HG1 ILE 73 -29.698 1.006 -0.013 513 2HG1 ILE 73 2HG1 ILE 73 -28.062 0.466 0.356 514 1HG2 ILE 73 1HG2 ILE 73 -27.617 2.542 3.380 515 2HG2 ILE 73 2HG2 ILE 73 -27.129 3.058 1.766 516 3HG2 ILE 73 3HG2 ILE 73 -26.837 1.399 2.287 517 1HD1 ILE 73 1HD1 ILE 73 -27.095 2.430 -0.453 518 2HD1 ILE 73 2HD1 ILE 73 -28.559 3.377 -0.192 519 3HD1 ILE 73 3HD1 ILE 73 -28.466 2.250 -1.545 520 H ASP 74 H ASP 74 -28.545 0.916 5.028 521 HA ASP 74 HA ASP 74 -31.003 2.144 6.186 522 1HB ASP 74 1HB ASP 74 -29.891 1.518 8.385 523 2HB ASP 74 2HB ASP 74 -28.670 0.681 7.437 524 H PHE 75 H PHE 75 -30.310 3.643 8.172 525 HA PHE 75 HA PHE 75 -28.826 5.862 7.039 526 1HB PHE 75 1HB PHE 75 -29.677 5.475 9.926 527 2HB PHE 75 2HB PHE 75 -30.711 6.158 8.676 528 HD1 PHE 75 HD1 PHE 75 -29.051 7.909 7.135 529 HD2 PHE 75 HD2 PHE 75 -28.923 7.166 11.364 530 HE1 PHE 75 HE1 PHE 75 -28.001 10.126 7.491 531 HE2 PHE 75 HE2 PHE 75 -27.874 9.386 11.719 532 HZ PHE 75 HZ PHE 75 -27.411 10.864 9.783 533 H GLU 76 H GLU 76 -28.160 3.489 9.619 534 HA GLU 76 HA GLU 76 -25.516 4.495 10.203 535 1HB GLU 76 1HB GLU 76 -25.213 2.103 11.145 536 2HB GLU 76 2HB GLU 76 -26.904 1.856 10.707 537 1HG GLU 76 1HG GLU 76 -27.622 3.631 12.163 538 2HG GLU 76 2HG GLU 76 -25.963 4.172 12.421 539 H GLU 77 H GLU 77 -26.810 2.469 7.673 540 HA GLU 77 HA GLU 77 -24.256 1.282 6.892 541 1HB GLU 77 1HB GLU 77 -25.508 0.854 4.702 542 2HB GLU 77 2HB GLU 77 -26.909 1.605 5.460 543 1HG GLU 77 1HG GLU 77 -27.366 -0.522 6.163 544 2HG GLU 77 2HG GLU 77 -26.159 -0.175 7.401 545 H PHE 78 H PHE 78 -26.159 4.123 6.157 546 HA PHE 78 HA PHE 78 -24.531 5.145 4.011 547 1HB PHE 78 1HB PHE 78 -26.508 6.401 5.933 548 2HB PHE 78 2HB PHE 78 -26.817 5.893 4.276 549 HD1 PHE 78 HD1 PHE 78 -25.934 8.634 6.360 550 HD2 PHE 78 HD2 PHE 78 -25.315 7.022 2.426 551 HE1 PHE 78 HE1 PHE 78 -25.263 10.877 5.547 552 HE2 PHE 78 HE2 PHE 78 -24.644 9.267 1.614 553 HZ PHE 78 HZ PHE 78 -24.619 11.194 3.174 554 H LEU 79 H LEU 79 -24.516 5.446 7.551 555 HA LEU 79 HA LEU 79 -22.525 7.554 7.659 556 1HB LEU 79 1HB LEU 79 -22.292 6.888 10.042 557 2HB LEU 79 2HB LEU 79 -23.298 5.478 9.722 558 HG LEU 79 HG LEU 79 -25.094 7.095 8.911 559 1HD1 LEU 79 1HD1 LEU 79 -24.737 6.037 11.314 560 2HD1 LEU 79 2HD1 LEU 79 -25.988 7.250 11.047 561 3HD1 LEU 79 3HD1 LEU 79 -24.448 7.714 11.771 562 1HD2 LEU 79 1HD2 LEU 79 -24.775 9.429 10.007 563 2HD2 LEU 79 2HD2 LEU 79 -23.916 9.108 8.501 564 3HD2 LEU 79 3HD2 LEU 79 -23.059 9.021 10.040 565 H VAL 80 H VAL 80 -22.316 3.995 8.160 566 HA VAL 80 HA VAL 80 -19.468 3.923 8.421 567 HB VAL 80 HB VAL 80 -21.013 2.036 9.037 568 1HG1 VAL 80 1HG1 VAL 80 -21.104 1.634 6.033 569 2HG1 VAL 80 2HG1 VAL 80 -22.465 2.068 7.068 570 3HG1 VAL 80 3HG1 VAL 80 -21.706 0.485 7.227 571 1HG2 VAL 80 1HG2 VAL 80 -19.497 0.237 8.154 572 2HG2 VAL 80 2HG2 VAL 80 -18.631 1.600 8.861 573 3HG2 VAL 80 3HG2 VAL 80 -18.748 1.443 7.110 574 H MET 81 H MET 81 -21.605 3.987 5.626 575 HA MET 81 HA MET 81 -19.650 3.304 3.631 576 1HB MET 81 1HB MET 81 -21.325 4.974 2.289 577 2HB MET 81 2HB MET 81 -22.343 4.564 3.670 578 1HG MET 81 1HG MET 81 -22.419 2.307 3.112 579 2HG MET 81 2HG MET 81 -20.881 2.362 2.251 580 1HE MET 81 1HE MET 81 -24.788 2.355 1.728 581 2HE MET 81 2HE MET 81 -24.957 3.900 0.899 582 3HE MET 81 3HE MET 81 -24.273 3.848 2.522 583 H MET 82 H MET 82 -20.733 6.411 5.043 584 HA MET 82 HA MET 82 -18.922 8.054 3.492 585 1HB MET 82 1HB MET 82 -19.950 8.691 6.269 586 2HB MET 82 2HB MET 82 -20.970 8.829 4.836 587 1HG MET 82 1HG MET 82 -18.996 10.253 3.880 588 2HG MET 82 2HG MET 82 -18.509 10.403 5.568 589 1HE MET 82 1HE MET 82 -20.642 11.778 2.771 590 2HE MET 82 2HE MET 82 -19.269 12.618 3.487 591 3HE MET 82 3HE MET 82 -20.880 13.320 3.605 592 H VAL 83 H VAL 83 -18.651 6.200 6.459 593 HA VAL 83 HA VAL 83 -16.175 7.299 7.411 594 HB VAL 83 HB VAL 83 -17.791 4.801 7.914 595 1HG1 VAL 83 1HG1 VAL 83 -16.072 4.278 9.726 596 2HG1 VAL 83 2HG1 VAL 83 -14.978 5.374 8.882 597 3HG1 VAL 83 3HG1 VAL 83 -15.568 3.921 8.074 598 1HG2 VAL 83 1HG2 VAL 83 -16.836 7.122 9.621 599 2HG2 VAL 83 2HG2 VAL 83 -17.822 5.781 10.204 600 3HG2 VAL 83 3HG2 VAL 83 -18.466 6.886 8.992 601 NH1 ARG 84 NH1 ARG 84 -15.307 -0.816 4.152 602 NH2 ARG 84 NH2 ARG 84 -16.907 -0.378 5.699 603 H ARG 84 H ARG 84 -16.957 4.995 4.886 604 HA ARG 84 HA ARG 84 -14.035 4.426 4.558 605 1HB ARG 84 1HB ARG 84 -15.257 2.396 5.181 606 2HB ARG 84 2HB ARG 84 -14.685 2.283 3.519 607 1HG ARG 84 1HG ARG 84 -17.160 3.435 3.182 608 2HG ARG 84 2HG ARG 84 -17.444 2.371 4.559 609 1HD ARG 84 1HD ARG 84 -15.874 1.195 2.332 610 2HD ARG 84 2HD ARG 84 -17.565 1.542 1.973 611 HE ARG 84 HE ARG 84 -18.120 -0.301 3.316 612 1HH1 ARG 84 1HH1 ARG 84 -14.715 -1.187 4.867 613 2HH1 ARG 84 2HH1 ARG 84 -14.992 -0.798 3.202 614 1HH2 ARG 84 1HH2 ARG 84 -17.814 -0.026 5.930 615 2HH2 ARG 84 2HH2 ARG 84 -16.317 -0.749 6.416 616 H GLN 85 H GLN 85 -15.749 6.605 3.446 617 HA GLN 85 HA GLN 85 -15.408 6.017 0.533 618 1HB GLN 85 1HB GLN 85 -17.098 8.069 0.423 619 2HB GLN 85 2HB GLN 85 -17.523 7.507 2.040 620 1HG GLN 85 1HG GLN 85 -18.832 5.954 1.056 621 2HG GLN 85 2HG GLN 85 -17.361 5.176 0.476 622 1HE2 GLN 85 1HE2 GLN 85 -20.228 6.759 -0.535 623 2HE2 GLN 85 2HE2 GLN 85 -19.799 6.994 -2.161 624 H MET 86 H MET 86 -14.812 8.261 3.181 625 HA MET 86 HA MET 86 -13.843 10.477 1.658 626 1HB MET 86 1HB MET 86 -14.352 10.618 4.078 627 2HB MET 86 2HB MET 86 -12.714 11.168 3.733 628 1HG MET 86 1HG MET 86 -11.861 8.908 4.361 629 2HG MET 86 2HG MET 86 -13.505 8.433 4.787 630 1HE MET 86 1HE MET 86 -14.903 9.333 6.455 631 2HE MET 86 2HE MET 86 -14.297 9.802 8.041 632 3HE MET 86 3HE MET 86 -13.861 8.233 7.369 633 H LYS 87 H LYS 87 -12.472 7.339 2.220 634 HA LYS 87 HA LYS 87 -9.714 8.240 1.622 635 1HB LYS 87 1HB LYS 87 -9.062 5.953 2.032 636 2HB LYS 87 2HB LYS 87 -10.735 5.401 1.933 637 1HG LYS 87 1HG LYS 87 -11.029 7.224 3.874 638 2HG LYS 87 2HG LYS 87 -9.327 6.838 4.142 639 1HD LYS 87 1HD LYS 87 -9.969 4.401 4.182 640 2HD LYS 87 2HD LYS 87 -11.661 4.899 4.117 641 1HE LYS 87 1HE LYS 87 -11.368 6.175 6.207 642 2HE LYS 87 2HE LYS 87 -9.672 5.700 6.266 643 1HZ LYS 87 1HZ LYS 87 -10.998 4.272 7.668 644 2HZ LYS 87 2HZ LYS 87 -10.378 3.378 6.364 645 3HZ LYS 87 3HZ LYS 87 -12.006 3.865 6.367 646 H GLU 88 H GLU 88 -11.902 8.518 -0.403 647 HA GLU 88 HA GLU 88 -11.586 6.523 -2.453 648 1HB GLU 88 1HB GLU 88 -12.303 9.394 -3.020 649 2HB GLU 88 2HB GLU 88 -13.433 8.339 -2.171 650 1HG GLU 88 1HG GLU 88 -12.163 7.586 -4.816 651 2HG GLU 88 2HG GLU 88 -13.705 8.434 -4.707 652 H ASP 89 H ASP 89 -9.756 9.407 -1.603 653 HA ASP 89 HA ASP 89 -8.372 9.878 -4.027 654 1HB ASP 89 1HB ASP 89 -7.158 10.113 -1.263 655 2HB ASP 89 2HB ASP 89 -8.306 11.285 -1.912 656 H ALA 90 H ALA 90 -7.723 7.489 -1.463 657 HA ALA 90 HA ALA 90 -5.220 6.598 -2.662 658 1HB ALA 90 1HB ALA 90 -7.012 5.471 -0.499 659 2HB ALA 90 2HB ALA 90 -5.434 6.236 -0.312 660 3HB ALA 90 3HB ALA 90 -5.556 4.637 -1.046 661 H LYS 91 H LYS 91 -5.830 6.135 -4.848 662 HA LYS 91 HA LYS 91 -7.946 4.274 -5.518 663 1HB LYS 91 1HB LYS 91 -5.672 4.586 -7.405 664 2HB LYS 91 2HB LYS 91 -6.515 6.071 -6.963 665 1HG LYS 91 1HG LYS 91 -8.685 4.864 -7.513 666 2HG LYS 91 2HG LYS 91 -7.700 3.571 -8.197 667 1HD LYS 91 1HD LYS 91 -6.977 4.881 -9.971 668 2HD LYS 91 2HD LYS 91 -7.157 6.386 -9.069 669 1HE LYS 91 1HE LYS 91 -9.031 6.603 -10.369 670 2HE LYS 91 2HE LYS 91 -9.742 5.565 -9.135 671 1HZ LYS 91 1HZ LYS 91 -9.185 3.638 -10.485 672 2HZ LYS 91 2HZ LYS 91 -8.512 4.644 -11.679 673 3HZ LYS 91 3HZ LYS 91 -10.177 4.712 -11.346 674 H GLY 92 H GLY 92 -4.457 3.966 -4.932 675 1HA GLY 92 1HA GLY 92 -4.028 1.331 -5.877 676 2HA GLY 92 2HA GLY 92 -4.657 1.184 -4.233 677 H LYS 93 H LYS 93 -3.513 3.647 -3.297 678 HA LYS 93 HA LYS 93 -0.601 3.317 -3.596 679 1HB LYS 93 1HB LYS 93 -1.428 5.437 -1.820 680 2HB LYS 93 2HB LYS 93 -2.335 5.530 -3.316 681 1HG LYS 93 1HG LYS 93 -0.197 5.281 -4.556 682 2HG LYS 93 2HG LYS 93 0.670 5.441 -3.027 683 1HD LYS 93 1HD LYS 93 -0.745 7.623 -2.749 684 2HD LYS 93 2HD LYS 93 -0.994 7.487 -4.491 685 1HE LYS 93 1HE LYS 93 1.560 7.260 -4.671 686 2HE LYS 93 2HE LYS 93 1.617 7.801 -2.994 687 1HZ LYS 93 1HZ LYS 93 0.408 9.274 -5.272 688 2HZ LYS 93 2HZ LYS 93 1.856 9.667 -4.474 689 3HZ LYS 93 3HZ LYS 93 0.371 9.786 -3.656 690 H SER 94 H SER 94 -3.165 3.030 -1.156 691 HA SER 94 HA SER 94 -1.385 2.681 1.098 692 1HB SER 94 1HB SER 94 -3.476 1.619 2.142 693 2HB SER 94 2HB SER 94 -4.290 2.000 0.627 694 HG SER 94 HG SER 94 -3.973 3.611 2.615 695 H GLU 95 H GLU 95 -2.422 0.556 -1.462 696 HA GLU 95 HA GLU 95 -2.087 -1.959 -0.106 697 1HB GLU 95 1HB GLU 95 -1.595 -2.660 -2.638 698 2HB GLU 95 2HB GLU 95 -2.260 -1.056 -2.947 699 1HG GLU 95 1HG GLU 95 -3.663 -3.016 -1.124 700 2HG GLU 95 2HG GLU 95 -3.916 -3.046 -2.869 701 H GLU 96 H GLU 96 0.242 0.370 -1.115 702 HA GLU 96 HA GLU 96 2.440 -1.257 -1.863 703 1HB GLU 96 1HB GLU 96 2.407 1.223 -2.040 704 2HB GLU 96 2HB GLU 96 3.854 0.634 -1.224 705 1HG GLU 96 1HG GLU 96 1.630 1.142 0.625 706 2HG GLU 96 2HG GLU 96 2.132 2.585 -0.252 707 H GLU 97 H GLU 97 1.019 -0.732 1.307 708 HA GLU 97 HA GLU 97 3.231 -1.454 2.949 709 1HB GLU 97 1HB GLU 97 1.016 -2.458 4.272 710 2HB GLU 97 2HB GLU 97 0.319 -1.213 3.237 711 1HG GLU 97 1HG GLU 97 2.353 0.226 4.108 712 2HG GLU 97 2HG GLU 97 2.350 -0.939 5.433 713 H LEU 98 H LEU 98 0.535 -3.540 1.800 714 HA LEU 98 HA LEU 98 1.842 -5.976 2.658 715 1HB LEU 98 1HB LEU 98 0.100 -7.041 1.069 716 2HB LEU 98 2HB LEU 98 -0.517 -5.410 0.858 717 HG LEU 98 HG LEU 98 -1.661 -6.779 2.667 718 1HD1 LEU 98 1HD1 LEU 98 -0.541 -7.566 4.484 719 2HD1 LEU 98 2HD1 LEU 98 0.524 -6.163 4.565 720 3HD1 LEU 98 3HD1 LEU 98 0.867 -7.467 3.429 721 1HD2 LEU 98 1HD2 LEU 98 -1.972 -4.893 4.059 722 2HD2 LEU 98 2HD2 LEU 98 -1.486 -4.196 2.513 723 3HD2 LEU 98 3HD2 LEU 98 -0.315 -4.336 3.825 724 H ALA 99 H ALA 99 2.028 -3.992 -0.212 725 HA ALA 99 HA ALA 99 3.023 -5.954 -2.051 726 1HB ALA 99 1HB ALA 99 2.252 -3.515 -2.502 727 2HB ALA 99 2HB ALA 99 3.617 -4.135 -3.433 728 3HB ALA 99 3HB ALA 99 3.899 -3.067 -2.058 729 H ASN 100 H ASN 100 4.577 -4.039 0.488 730 HA ASN 100 HA ASN 100 7.303 -4.607 -0.259 731 1HB ASN 100 1HB ASN 100 7.840 -3.955 2.083 732 2HB ASN 100 2HB ASN 100 6.119 -3.956 2.464 733 1HD2 ASN 100 1HD2 ASN 100 5.720 -1.715 2.755 734 2HD2 ASN 100 2HD2 ASN 100 6.036 -0.539 1.574 735 H CYS 101 H CYS 101 5.119 -6.080 2.183 736 HA CYS 101 HA CYS 101 6.906 -8.229 2.882 737 1HB CYS 101 1HB CYS 101 4.704 -9.346 3.634 738 2HB CYS 101 2HB CYS 101 3.912 -7.858 3.115 739 HG CYS 101 HG CYS 101 5.660 -6.624 4.824 740 H PHE 102 H PHE 102 4.469 -7.796 0.373 741 HA PHE 102 HA PHE 102 4.223 -10.454 -0.581 742 1HB PHE 102 1HB PHE 102 4.239 -7.915 -2.247 743 2HB PHE 102 2HB PHE 102 2.855 -8.459 -1.304 744 HD1 PHE 102 HD1 PHE 102 4.996 -9.174 -4.228 745 HD2 PHE 102 HD2 PHE 102 1.550 -10.384 -1.974 746 HE1 PHE 102 HE1 PHE 102 4.294 -10.649 -6.092 747 HE2 PHE 102 HE2 PHE 102 0.851 -11.861 -3.833 748 HZ PHE 102 HZ PHE 102 2.207 -11.992 -5.895 749 NH1 ARG 103 NH1 ARG 103 10.954 -6.860 -7.494 750 NH2 ARG 103 NH2 ARG 103 9.789 -4.939 -7.803 751 H ARG 103 H ARG 103 6.478 -7.862 -1.624 752 HA ARG 103 HA ARG 103 7.951 -9.517 -3.463 753 1HB ARG 103 1HB ARG 103 9.233 -7.202 -2.043 754 2HB ARG 103 2HB ARG 103 7.893 -6.897 -3.148 755 1HG ARG 103 1HG ARG 103 9.221 -8.386 -4.816 756 2HG ARG 103 2HG ARG 103 10.593 -8.103 -3.745 757 1HD ARG 103 1HD ARG 103 10.917 -6.135 -4.795 758 2HD ARG 103 2HD ARG 103 9.385 -5.581 -4.118 759 HE ARG 103 HE ARG 103 8.307 -6.529 -6.211 760 1HH1 ARG 103 1HH1 ARG 103 10.355 -4.719 -8.598 761 2HH1 ARG 103 2HH1 ARG 103 9.059 -4.314 -7.523 762 1HH2 ARG 103 1HH2 ARG 103 11.114 -7.702 -6.979 763 2HH2 ARG 103 2HH2 ARG 103 11.524 -6.645 -8.288 764 H ILE 104 H ILE 104 8.348 -8.839 0.000 765 HA ILE 104 HA ILE 104 10.943 -9.985 0.327 766 HB ILE 104 HB ILE 104 8.609 -9.806 2.261 767 1HG1 ILE 104 1HG1 ILE 104 9.811 -7.709 1.265 768 2HG1 ILE 104 2HG1 ILE 104 11.154 -8.187 2.300 769 1HG2 ILE 104 1HG2 ILE 104 11.475 -10.696 2.636 770 2HG2 ILE 104 2HG2 ILE 104 10.000 -11.521 3.139 771 3HG2 ILE 104 3HG2 ILE 104 10.519 -10.058 3.975 772 1HD1 ILE 104 1HD1 ILE 104 8.618 -6.926 3.015 773 2HD1 ILE 104 2HD1 ILE 104 10.103 -7.063 3.956 774 3HD1 ILE 104 3HD1 ILE 104 8.928 -8.378 3.968 775 H PHE 105 H PHE 105 7.788 -11.469 -0.100 776 HA PHE 105 HA PHE 105 8.622 -14.095 0.862 777 1HB PHE 105 1HB PHE 105 6.426 -14.702 -0.501 778 2HB PHE 105 2HB PHE 105 6.178 -12.957 -0.442 779 HD1 PHE 105 HD1 PHE 105 7.086 -12.071 2.104 780 HD2 PHE 105 HD2 PHE 105 5.162 -15.787 1.128 781 HE1 PHE 105 HE1 PHE 105 6.283 -12.268 4.439 782 HE2 PHE 105 HE2 PHE 105 4.360 -15.983 3.466 783 HZ PHE 105 HZ PHE 105 4.920 -14.223 5.121 784 H ASP 106 H ASP 106 8.209 -12.584 -2.383 785 HA ASP 106 HA ASP 106 9.097 -15.069 -3.677 786 1HB ASP 106 1HB ASP 106 7.637 -13.931 -5.107 787 2HB ASP 106 2HB ASP 106 9.211 -13.496 -5.761 788 H LYS 107 H LYS 107 11.175 -15.601 -3.223 789 HA LYS 107 HA LYS 107 13.297 -13.667 -2.859 790 1HB LYS 107 1HB LYS 107 14.788 -15.630 -2.824 791 2HB LYS 107 2HB LYS 107 13.469 -16.647 -3.412 792 1HG LYS 107 1HG LYS 107 12.322 -16.547 -1.402 793 2HG LYS 107 2HG LYS 107 13.008 -14.982 -0.964 794 1HD LYS 107 1HD LYS 107 15.244 -16.164 -0.707 795 2HD LYS 107 2HD LYS 107 14.369 -17.688 -0.869 796 1HE LYS 107 1HE LYS 107 13.422 -17.508 1.207 797 2HE LYS 107 2HE LYS 107 13.238 -15.758 1.082 798 1HZ LYS 107 1HZ LYS 107 14.879 -16.378 2.751 799 2HZ LYS 107 2HZ LYS 107 15.595 -15.503 1.484 800 3HZ LYS 107 3HZ LYS 107 15.794 -17.188 1.576 801 H ASN 108 H ASN 108 11.950 -15.244 -5.661 802 HA ASN 108 HA ASN 108 14.308 -14.679 -7.338 803 1HB ASN 108 1HB ASN 108 11.676 -15.438 -8.528 804 2HB ASN 108 2HB ASN 108 12.497 -16.637 -7.529 805 1HD2 ASN 108 1HD2 ASN 108 14.629 -17.400 -8.264 806 2HD2 ASN 108 2HD2 ASN 108 15.140 -17.154 -9.864 807 H ALA 109 H ALA 109 11.253 -13.179 -6.512 808 HA ALA 109 HA ALA 109 10.373 -11.092 -7.062 809 1HB ALA 109 1HB ALA 109 13.004 -10.519 -8.441 810 2HB ALA 109 2HB ALA 109 12.804 -10.423 -6.693 811 3HB ALA 109 3HB ALA 109 11.871 -9.362 -7.746 812 H ASP 110 H ASP 110 8.924 -12.265 -8.525 813 HA ASP 110 HA ASP 110 9.476 -11.597 -11.389 814 1HB ASP 110 1HB ASP 110 8.163 -13.698 -11.953 815 2HB ASP 110 2HB ASP 110 8.298 -14.145 -10.252 816 H GLY 111 H GLY 111 6.960 -12.323 -8.951 817 1HA GLY 111 1HA GLY 111 4.814 -11.244 -10.612 818 2HA GLY 111 2HA GLY 111 5.322 -10.139 -9.339 819 H PHE 112 H PHE 112 5.336 -13.671 -9.018 820 HA PHE 112 HA PHE 112 3.240 -13.387 -6.903 821 1HB PHE 112 1HB PHE 112 2.232 -15.478 -7.565 822 2HB PHE 112 2HB PHE 112 3.510 -15.784 -8.738 823 HD1 PHE 112 HD1 PHE 112 2.668 -15.623 -10.908 824 HD2 PHE 112 HD2 PHE 112 1.392 -12.771 -7.959 825 HE1 PHE 112 HE1 PHE 112 1.361 -14.417 -12.636 826 HE2 PHE 112 HE2 PHE 112 0.086 -11.566 -9.688 827 HZ PHE 112 HZ PHE 112 0.069 -12.389 -12.027 828 H ILE 113 H ILE 113 3.365 -15.162 -5.269 829 HA ILE 113 HA ILE 113 6.209 -15.849 -4.737 830 HB ILE 113 HB ILE 113 3.736 -15.959 -2.976 831 1HG1 ILE 113 1HG1 ILE 113 6.064 -14.065 -3.281 832 2HG1 ILE 113 2HG1 ILE 113 5.248 -14.218 -1.728 833 1HG2 ILE 113 1HG2 ILE 113 6.630 -16.673 -2.415 834 2HG2 ILE 113 2HG2 ILE 113 5.224 -17.727 -2.270 835 3HG2 ILE 113 3HG2 ILE 113 5.437 -16.384 -1.147 836 1HD1 ILE 113 1HD1 ILE 113 3.068 -13.914 -3.170 837 2HD1 ILE 113 2HD1 ILE 113 4.179 -13.186 -4.331 838 3HD1 ILE 113 3HD1 ILE 113 4.024 -12.504 -2.712 839 H ASP 114 H ASP 114 6.934 -17.910 -5.015 840 HA ASP 114 HA ASP 114 5.002 -19.996 -5.825 841 1HB ASP 114 1HB ASP 114 7.010 -21.325 -6.361 842 2HB ASP 114 2HB ASP 114 8.025 -20.060 -5.681 843 H ILE 115 H ILE 115 5.161 -22.165 -4.864 844 HA ILE 115 HA ILE 115 5.022 -22.077 -1.982 845 HB ILE 115 HB ILE 115 3.665 -23.654 -3.303 846 1HG1 ILE 115 1HG1 ILE 115 5.659 -25.224 -1.662 847 2HG1 ILE 115 2HG1 ILE 115 3.955 -25.595 -1.915 848 1HG2 ILE 115 1HG2 ILE 115 5.488 -24.041 -5.043 849 2HG2 ILE 115 2HG2 ILE 115 4.600 -25.476 -4.534 850 3HG2 ILE 115 3HG2 ILE 115 6.214 -25.166 -3.895 851 1HD1 ILE 115 1HD1 ILE 115 3.539 -23.256 -0.841 852 2HD1 ILE 115 2HD1 ILE 115 5.189 -23.417 -0.242 853 3HD1 ILE 115 3HD1 ILE 115 3.966 -24.602 0.216 854 H GLU 116 H GLU 116 7.391 -23.217 -4.310 855 HA GLU 116 HA GLU 116 9.214 -24.412 -2.439 856 1HB GLU 116 1HB GLU 116 9.413 -24.913 -4.814 857 2HB GLU 116 2HB GLU 116 10.909 -24.162 -4.264 858 1HG GLU 116 1HG GLU 116 10.657 -22.459 -5.718 859 2HG GLU 116 2HG GLU 116 9.024 -22.137 -5.139 860 H GLU 117 H GLU 117 8.820 -21.084 -3.607 861 HA GLU 117 HA GLU 117 11.246 -20.038 -2.473 862 1HB GLU 117 1HB GLU 117 9.478 -17.919 -2.416 863 2HB GLU 117 2HB GLU 117 8.770 -18.953 -3.656 864 1HG GLU 117 1HG GLU 117 11.716 -18.265 -3.638 865 2HG GLU 117 2HG GLU 117 10.527 -17.235 -4.432 866 H LEU 118 H LEU 118 7.918 -20.357 -1.216 867 HA LEU 118 HA LEU 118 8.488 -19.065 1.311 868 1HB LEU 118 1HB LEU 118 6.299 -21.087 0.791 869 2HB LEU 118 2HB LEU 118 6.189 -19.407 0.267 870 HG LEU 118 HG LEU 118 6.760 -20.201 3.135 871 1HD1 LEU 118 1HD1 LEU 118 6.182 -17.657 1.652 872 2HD1 LEU 118 2HD1 LEU 118 7.377 -17.968 2.912 873 3HD1 LEU 118 3HD1 LEU 118 5.674 -17.801 3.335 874 1HD2 LEU 118 1HD2 LEU 118 4.586 -21.088 2.705 875 2HD2 LEU 118 2HD2 LEU 118 4.138 -19.702 1.712 876 3HD2 LEU 118 3HD2 LEU 118 4.307 -19.517 3.458 877 H GLY 119 H GLY 119 8.826 -22.369 0.133 878 1HA GLY 119 1HA GLY 119 9.827 -24.244 1.123 879 2HA GLY 119 2HA GLY 119 8.932 -23.793 2.571 880 H GLU 120 H GLU 120 11.622 -22.165 0.835 881 HA GLU 120 HA GLU 120 13.572 -22.762 2.887 882 1HB GLU 120 1HB GLU 120 14.847 -20.837 1.761 883 2HB GLU 120 2HB GLU 120 13.505 -20.767 0.618 884 1HG GLU 120 1HG GLU 120 14.788 -23.421 1.190 885 2HG GLU 120 2HG GLU 120 15.618 -22.291 0.121 886 H ILE 121 H ILE 121 11.351 -20.048 2.309 887 HA ILE 121 HA ILE 121 12.441 -18.246 4.248 888 HB ILE 121 HB ILE 121 9.571 -18.590 3.306 889 1HG1 ILE 121 1HG1 ILE 121 11.460 -17.993 1.639 890 2HG1 ILE 121 2HG1 ILE 121 11.556 -16.456 2.497 891 1HG2 ILE 121 1HG2 ILE 121 9.399 -16.171 4.085 892 2HG2 ILE 121 2HG2 ILE 121 10.928 -16.419 4.927 893 3HG2 ILE 121 3HG2 ILE 121 9.511 -17.370 5.374 894 1HD1 ILE 121 1HD1 ILE 121 9.868 -15.733 1.185 895 2HD1 ILE 121 2HD1 ILE 121 8.815 -16.855 2.046 896 3HD1 ILE 121 3HD1 ILE 121 9.595 -17.354 0.545 897 H LEU 122 H LEU 122 10.116 -20.929 4.537 898 HA LEU 122 HA LEU 122 9.474 -20.429 7.313 899 1HB LEU 122 1HB LEU 122 8.802 -22.953 7.174 900 2HB LEU 122 2HB LEU 122 9.134 -22.774 5.451 901 HG LEU 122 HG LEU 122 7.626 -20.543 5.917 902 1HD1 LEU 122 1HD1 LEU 122 7.100 -21.917 4.077 903 2HD1 LEU 122 2HD1 LEU 122 5.678 -22.066 5.108 904 3HD1 LEU 122 3HD1 LEU 122 6.891 -23.347 5.086 905 1HD2 LEU 122 1HD2 LEU 122 5.756 -21.145 7.357 906 2HD2 LEU 122 2HD2 LEU 122 7.250 -21.307 8.280 907 3HD2 LEU 122 3HD2 LEU 122 6.445 -22.743 7.646 908 NH1 ARG 123 NH1 ARG 123 13.702 -28.896 9.649 909 NH2 ARG 123 NH2 ARG 123 14.658 -29.491 7.681 910 H ARG 123 H ARG 123 11.724 -22.733 5.723 911 HA ARG 123 HA ARG 123 12.766 -23.743 8.226 912 1HB ARG 123 1HB ARG 123 14.720 -24.421 6.552 913 2HB ARG 123 2HB ARG 123 13.518 -23.977 5.340 914 1HG ARG 123 1HG ARG 123 13.013 -26.230 5.676 915 2HG ARG 123 2HG ARG 123 11.916 -25.461 6.823 916 1HD ARG 123 1HD ARG 123 13.381 -25.924 8.664 917 2HD ARG 123 2HD ARG 123 14.696 -26.389 7.586 918 HE ARG 123 HE ARG 123 12.304 -28.047 7.293 919 1HH1 ARG 123 1HH1 ARG 123 15.188 -30.198 8.149 920 2HH1 ARG 123 2HH1 ARG 123 14.757 -29.365 6.693 921 1HH2 ARG 123 1HH2 ARG 123 13.071 -28.316 10.165 922 2HH2 ARG 123 2HH2 ARG 123 14.230 -29.602 10.123 923 H ALA 124 H ALA 124 13.638 -21.015 6.163 924 HA ALA 124 HA ALA 124 16.278 -20.521 7.043 925 1HB ALA 124 1HB ALA 124 15.439 -19.232 5.222 926 2HB ALA 124 2HB ALA 124 15.712 -18.085 6.532 927 3HB ALA 124 3HB ALA 124 14.078 -18.640 6.173 928 H THR 125 H THR 125 13.215 -19.799 8.696 929 HA THR 125 HA THR 125 14.300 -17.994 10.641 930 HB THR 125 HB THR 125 11.863 -18.267 10.212 931 HG1 THR 125 HG1 THR 125 11.477 -17.663 12.194 932 1HG2 THR 125 1HG2 THR 125 10.814 -20.248 10.403 933 2HG2 THR 125 2HG2 THR 125 11.489 -20.522 12.009 934 3HG2 THR 125 3HG2 THR 125 12.406 -20.986 10.577 935 H GLY 126 H GLY 126 14.357 -21.509 10.445 936 1HA GLY 126 1HA GLY 126 15.962 -21.524 12.963 937 2HA GLY 126 2HA GLY 126 16.112 -22.710 11.669 938 H GLU 127 H GLU 127 12.940 -21.664 12.752 939 HA GLU 127 HA GLU 127 12.438 -23.543 14.814 940 1HB GLU 127 1HB GLU 127 10.004 -23.321 14.024 941 2HB GLU 127 2HB GLU 127 10.624 -22.237 12.780 942 1HG GLU 127 1HG GLU 127 11.775 -20.986 14.739 943 2HG GLU 127 2HG GLU 127 10.668 -21.884 15.778 944 H HIS 128 H HIS 128 11.301 -25.590 14.746 945 HA HIS 128 HA HIS 128 12.066 -27.219 12.403 946 1HB HIS 128 1HB HIS 128 10.641 -28.323 14.807 947 2HB HIS 128 2HB HIS 128 12.321 -27.816 14.961 948 HD1 HIS 128 HD1 HIS 128 10.619 -30.794 14.477 949 HD2 HIS 128 HD2 HIS 128 13.711 -28.995 12.334 950 HE1 HIS 128 HE1 HIS 128 11.749 -32.640 13.162 951 H VAL 129 H VAL 129 10.451 -26.227 10.958 952 HA VAL 129 HA VAL 129 7.608 -26.708 11.549 953 HB VAL 129 HB VAL 129 8.286 -24.675 10.333 954 1HG1 VAL 129 1HG1 VAL 129 9.018 -24.920 7.938 955 2HG1 VAL 129 2HG1 VAL 129 9.227 -26.645 8.234 956 3HG1 VAL 129 3HG1 VAL 129 10.215 -25.475 9.107 957 1HG2 VAL 129 1HG2 VAL 129 6.056 -25.875 9.944 958 2HG2 VAL 129 2HG2 VAL 129 6.756 -26.450 8.432 959 3HG2 VAL 129 3HG2 VAL 129 6.553 -24.720 8.708 960 H ILE 130 H ILE 130 6.253 -27.988 10.103 961 HA ILE 130 HA ILE 130 7.714 -30.373 9.054 962 HB ILE 130 HB ILE 130 5.164 -31.232 9.103 963 1HG1 ILE 130 1HG1 ILE 130 4.517 -28.909 10.056 964 2HG1 ILE 130 2HG1 ILE 130 5.248 -29.477 11.558 965 1HG2 ILE 130 1HG2 ILE 130 5.710 -32.361 11.161 966 2HG2 ILE 130 2HG2 ILE 130 6.861 -31.102 11.608 967 3HG2 ILE 130 3HG2 ILE 130 7.208 -32.173 10.250 968 1HD1 ILE 130 1HD1 ILE 130 2.916 -30.698 10.057 969 2HD1 ILE 130 2HD1 ILE 130 2.905 -30.009 11.680 970 3HD1 ILE 130 3HD1 ILE 130 3.751 -31.525 11.372 971 H GLU 131 H GLU 131 7.268 -31.131 6.962 972 HA GLU 131 HA GLU 131 6.442 -29.168 5.018 973 1HB GLU 131 1HB GLU 131 6.669 -31.023 3.402 974 2HB GLU 131 2HB GLU 131 6.799 -32.170 4.731 975 1HG GLU 131 1HG GLU 131 9.041 -31.662 3.983 976 2HG GLU 131 2HG GLU 131 8.806 -30.867 5.538 977 H GLU 132 H GLU 132 4.816 -31.788 6.714 978 HA GLU 132 HA GLU 132 2.468 -31.922 5.066 979 1HB GLU 132 1HB GLU 132 1.428 -32.705 7.349 980 2HB GLU 132 2HB GLU 132 3.099 -32.662 7.914 981 1HG GLU 132 1HG GLU 132 3.655 -34.071 5.831 982 2HG GLU 132 2HG GLU 132 1.917 -34.332 5.688 983 H ASP 133 H ASP 133 3.477 -29.737 7.671 984 HA ASP 133 HA ASP 133 0.831 -28.507 7.929 985 1HB ASP 133 1HB ASP 133 3.527 -27.465 8.856 986 2HB ASP 133 2HB ASP 133 2.504 -28.555 9.792 987 H ILE 134 H ILE 134 3.917 -27.651 6.342 988 HA ILE 134 HA ILE 134 2.992 -25.101 5.341 989 HB ILE 134 HB ILE 134 5.227 -26.883 4.308 990 1HG1 ILE 134 1HG1 ILE 134 5.211 -26.031 6.787 991 2HG1 ILE 134 2HG1 ILE 134 5.559 -24.459 6.069 992 1HG2 ILE 134 1HG2 ILE 134 6.121 -24.683 3.458 993 2HG2 ILE 134 2HG2 ILE 134 4.573 -23.952 3.884 994 3HG2 ILE 134 3HG2 ILE 134 4.644 -25.214 2.654 995 1HD1 ILE 134 1HD1 ILE 134 7.260 -26.899 6.220 996 2HD1 ILE 134 2HD1 ILE 134 7.723 -25.199 6.291 997 3HD1 ILE 134 3HD1 ILE 134 7.367 -25.951 4.736 998 H GLU 135 H GLU 135 3.334 -28.318 3.794 999 HA GLU 135 HA GLU 135 2.314 -27.564 1.238 1000 1HB GLU 135 1HB GLU 135 1.860 -30.295 2.432 1001 2HB GLU 135 2HB GLU 135 3.481 -29.764 1.989 1002 1HG GLU 135 1HG GLU 135 3.016 -29.785 -0.268 1003 2HG GLU 135 2HG GLU 135 1.322 -29.353 -0.028 1004 H ASP 136 H ASP 136 0.614 -29.012 4.047 1005 HA ASP 136 HA ASP 136 -1.975 -29.069 2.855 1006 1HB ASP 136 1HB ASP 136 -1.470 -28.623 5.802 1007 2HB ASP 136 2HB ASP 136 -1.220 -30.189 5.027 1008 H LEU 137 H LEU 137 -0.220 -26.452 4.472 1009 HA LEU 137 HA LEU 137 -2.461 -24.681 4.800 1010 1HB LEU 137 1HB LEU 137 0.423 -23.872 4.349 1011 2HB LEU 137 2HB LEU 137 -0.177 -24.469 5.896 1012 HG LEU 137 HG LEU 137 -1.686 -22.254 4.571 1013 1HD1 LEU 137 1HD1 LEU 137 -2.240 -23.473 6.791 1014 2HD1 LEU 137 2HD1 LEU 137 -2.275 -21.710 6.797 1015 3HD1 LEU 137 3HD1 LEU 137 -0.885 -22.565 7.465 1016 1HD2 LEU 137 1HD2 LEU 137 -0.127 -20.633 5.758 1017 2HD2 LEU 137 2HD2 LEU 137 0.553 -21.411 4.329 1018 3HD2 LEU 137 3HD2 LEU 137 1.003 -21.975 5.939 1019 H MET 138 H MET 138 -0.108 -25.127 2.153 1020 HA MET 138 HA MET 138 -1.104 -22.937 0.554 1021 1HB MET 138 1HB MET 138 0.287 -25.375 -0.564 1022 2HB MET 138 2HB MET 138 1.167 -24.160 0.363 1023 1HG MET 138 1HG MET 138 -0.589 -23.383 -1.969 1024 2HG MET 138 2HG MET 138 1.086 -23.879 -2.212 1025 1HE MET 138 1HE MET 138 2.248 -22.278 -2.988 1026 2HE MET 138 2HE MET 138 2.564 -20.653 -2.387 1027 3HE MET 138 3HE MET 138 1.085 -20.980 -3.287 1028 H LYS 139 H LYS 139 -1.677 -26.486 0.387 1029 HA LYS 139 HA LYS 139 -3.502 -26.342 -1.818 1030 1HB LYS 139 1HB LYS 139 -2.481 -28.468 -1.157 1031 2HB LYS 139 2HB LYS 139 -4.236 -28.605 -1.113 1032 1HG LYS 139 1HG LYS 139 -3.778 -27.809 1.436 1033 2HG LYS 139 2HG LYS 139 -2.270 -28.661 1.116 1034 1HD LYS 139 1HD LYS 139 -4.897 -29.933 0.385 1035 2HD LYS 139 2HD LYS 139 -4.326 -29.996 2.052 1036 1HE LYS 139 1HE LYS 139 -2.468 -31.297 1.503 1037 2HE LYS 139 2HE LYS 139 -2.448 -30.744 -0.170 1038 1HZ LYS 139 1HZ LYS 139 -3.237 -33.002 -0.057 1039 2HZ LYS 139 2HZ LYS 139 -4.510 -31.986 -0.544 1040 3HZ LYS 139 3HZ LYS 139 -4.447 -32.572 1.050 1041 H ASP 140 H ASP 140 -3.964 -25.795 1.631 1042 HA ASP 140 HA ASP 140 -6.863 -25.974 1.567 1043 1HB ASP 140 1HB ASP 140 -5.494 -24.277 3.604 1044 2HB ASP 140 2HB ASP 140 -5.095 -25.994 3.587 1045 H SER 141 H SER 141 -4.507 -23.317 1.269 1046 HA SER 141 HA SER 141 -6.708 -21.361 0.936 1047 1HB SER 141 1HB SER 141 -4.502 -19.876 0.555 1048 2HB SER 141 2HB SER 141 -3.782 -21.208 1.454 1049 HG SER 141 HG SER 141 -5.430 -19.240 2.325 1050 H ASP 142 H ASP 142 -5.225 -23.502 -1.132 1051 HA ASP 142 HA ASP 142 -4.822 -21.660 -3.385 1052 1HB ASP 142 1HB ASP 142 -5.002 -24.483 -4.104 1053 2HB ASP 142 2HB ASP 142 -3.901 -24.228 -2.752 1054 H LYS 143 H LYS 143 -7.185 -20.914 -2.992 1055 HA LYS 143 HA LYS 143 -9.329 -22.668 -3.880 1056 1HB LYS 143 1HB LYS 143 -10.601 -20.424 -3.990 1057 2HB LYS 143 2HB LYS 143 -9.132 -19.706 -3.327 1058 1HG LYS 143 1HG LYS 143 -9.542 -21.932 -1.713 1059 2HG LYS 143 2HG LYS 143 -11.177 -21.338 -2.003 1060 1HD LYS 143 1HD LYS 143 -9.098 -19.303 -1.350 1061 2HD LYS 143 2HD LYS 143 -9.615 -20.362 -0.039 1062 1HE LYS 143 1HE LYS 143 -11.259 -18.777 0.187 1063 2HE LYS 143 2HE LYS 143 -12.031 -19.726 -1.083 1064 1HZ LYS 143 1HZ LYS 143 -11.981 -17.357 -1.610 1065 2HZ LYS 143 2HZ LYS 143 -11.082 -18.260 -2.733 1066 3HZ LYS 143 3HZ LYS 143 -10.288 -17.361 -1.530 1067 H ASN 144 H ASN 144 -6.994 -20.709 -5.526 1068 HA ASN 144 HA ASN 144 -8.642 -20.500 -7.977 1069 1HB ASN 144 1HB ASN 144 -5.749 -19.680 -7.672 1070 2HB ASN 144 2HB ASN 144 -7.068 -18.655 -7.102 1071 1HD2 ASN 144 1HD2 ASN 144 -5.082 -19.032 -9.724 1072 2HD2 ASN 144 2HD2 ASN 144 -6.106 -18.461 -10.950 1073 H ASN 145 H ASN 145 -6.306 -22.610 -6.565 1074 HA ASN 145 HA ASN 145 -5.320 -24.562 -7.341 1075 1HB ASN 145 1HB ASN 145 -6.627 -24.577 -9.985 1076 2HB ASN 145 2HB ASN 145 -7.748 -24.465 -8.628 1077 1HD2 ASN 145 1HD2 ASN 145 -8.373 -26.495 -7.872 1078 2HD2 ASN 145 2HD2 ASN 145 -7.411 -27.893 -7.918 1079 H ASP 146 H ASP 146 -3.911 -22.181 -7.738 1080 HA ASP 146 HA ASP 146 -2.741 -22.460 -10.469 1081 1HB ASP 146 1HB ASP 146 -1.901 -20.253 -8.648 1082 2HB ASP 146 2HB ASP 146 -3.551 -20.190 -9.265 1083 H GLY 147 H GLY 147 -1.976 -22.552 -7.007 1084 1HA GLY 147 1HA GLY 147 0.612 -23.857 -7.697 1085 2HA GLY 147 2HA GLY 147 -0.242 -24.046 -6.166 1086 NH1 ARG 148 NH1 ARG 148 2.099 -19.148 -11.413 1087 NH2 ARG 148 NH2 ARG 148 2.536 -21.132 -12.423 1088 H ARG 148 H ARG 148 0.155 -20.900 -7.706 1089 HA ARG 148 HA ARG 148 2.261 -20.193 -5.716 1090 1HB ARG 148 1HB ARG 148 2.514 -18.164 -7.265 1091 2HB ARG 148 2HB ARG 148 1.469 -19.029 -8.389 1092 1HG ARG 148 1HG ARG 148 3.822 -20.465 -7.223 1093 2HG ARG 148 2HG ARG 148 4.100 -19.292 -8.506 1094 1HD ARG 148 1HD ARG 148 1.846 -20.984 -9.166 1095 2HD ARG 148 2HD ARG 148 3.266 -21.967 -8.810 1096 HE ARG 148 HE ARG 148 4.470 -20.654 -10.567 1097 1HH1 ARG 148 1HH1 ARG 148 1.496 -18.894 -12.169 1098 2HH1 ARG 148 2HH1 ARG 148 2.235 -18.517 -10.649 1099 1HH2 ARG 148 1HH2 ARG 148 3.006 -22.015 -12.430 1100 2HH2 ARG 148 2HH2 ARG 148 1.933 -20.881 -13.181 1101 H ILE 149 H ILE 149 2.107 -17.817 -5.018 1102 HA ILE 149 HA ILE 149 -0.746 -17.171 -4.368 1103 HB ILE 149 HB ILE 149 1.805 -16.489 -2.862 1104 1HG1 ILE 149 1HG1 ILE 149 0.604 -18.876 -2.834 1105 2HG1 ILE 149 2HG1 ILE 149 -0.474 -18.051 -1.708 1106 1HG2 ILE 149 1HG2 ILE 149 0.142 -15.646 -1.129 1107 2HG2 ILE 149 2HG2 ILE 149 -1.094 -15.750 -2.382 1108 3HG2 ILE 149 3HG2 ILE 149 0.275 -14.656 -2.583 1109 1HD1 ILE 149 1HD1 ILE 149 2.469 -18.618 -1.449 1110 2HD1 ILE 149 2HD1 ILE 149 1.180 -18.882 -0.274 1111 3HD1 ILE 149 3HD1 ILE 149 1.765 -17.248 -0.590 1112 H ASP 150 H ASP 150 -1.492 -15.411 -5.439 1113 HA ASP 150 HA ASP 150 0.478 -13.516 -6.618 1114 1HB ASP 150 1HB ASP 150 -1.139 -12.964 -8.218 1115 2HB ASP 150 2HB ASP 150 -2.476 -13.387 -7.156 1116 H PHE 151 H PHE 151 -0.358 -11.134 -6.625 1117 HA PHE 151 HA PHE 151 -0.537 -10.202 -3.935 1118 1HB PHE 151 1HB PHE 151 -1.511 -8.642 -6.338 1119 2HB PHE 151 2HB PHE 151 0.205 -8.897 -6.017 1120 HD1 PHE 151 HD1 PHE 151 1.110 -8.204 -3.698 1121 HD2 PHE 151 HD2 PHE 151 -2.695 -6.929 -5.233 1122 HE1 PHE 151 HE1 PHE 151 1.077 -6.336 -2.067 1123 HE2 PHE 151 HE2 PHE 151 -2.726 -5.062 -3.603 1124 HZ PHE 151 HZ PHE 151 -0.841 -4.763 -2.023 1125 H ASP 152 H ASP 152 -3.009 -11.189 -6.210 1126 HA ASP 152 HA ASP 152 -5.260 -9.930 -4.907 1127 1HB ASP 152 1HB ASP 152 -6.569 -11.745 -6.138 1128 2HB ASP 152 2HB ASP 152 -5.018 -12.336 -6.733 1129 H GLU 153 H GLU 153 -4.135 -13.344 -4.853 1130 HA GLU 153 HA GLU 153 -5.832 -14.076 -2.631 1131 1HB GLU 153 1HB GLU 153 -3.312 -15.597 -3.109 1132 2HB GLU 153 2HB GLU 153 -4.463 -15.527 -4.444 1133 1HG GLU 153 1HG GLU 153 -6.232 -16.162 -2.626 1134 2HG GLU 153 2HG GLU 153 -4.833 -16.680 -1.684 1135 H PHE 154 H PHE 154 -2.716 -12.527 -2.852 1136 HA PHE 154 HA PHE 154 -1.548 -13.191 -0.362 1137 1HB PHE 154 1HB PHE 154 -1.459 -10.494 -1.753 1138 2HB PHE 154 2HB PHE 154 -0.441 -11.870 -2.174 1139 HD1 PHE 154 HD1 PHE 154 -1.023 -9.163 0.208 1140 HD2 PHE 154 HD2 PHE 154 1.219 -12.750 -0.536 1141 HE1 PHE 154 HE1 PHE 154 0.574 -8.539 1.997 1142 HE2 PHE 154 HE2 PHE 154 2.815 -12.124 1.254 1143 HZ PHE 154 HZ PHE 154 2.493 -10.018 2.521 1144 H LEU 155 H LEU 155 -4.118 -10.861 -1.117 1145 HA LEU 155 HA LEU 155 -4.172 -9.443 1.345 1146 1HB LEU 155 1HB LEU 155 -6.549 -8.978 0.804 1147 2HB LEU 155 2HB LEU 155 -6.490 -10.204 -0.460 1148 HG LEU 155 HG LEU 155 -4.532 -8.886 -1.447 1149 1HD1 LEU 155 1HD1 LEU 155 -6.790 -8.839 -2.421 1150 2HD1 LEU 155 2HD1 LEU 155 -6.035 -7.249 -2.536 1151 3HD1 LEU 155 3HD1 LEU 155 -7.256 -7.559 -1.301 1152 1HD2 LEU 155 1HD2 LEU 155 -3.963 -7.522 0.481 1153 2HD2 LEU 155 2HD2 LEU 155 -5.595 -6.859 0.547 1154 3HD2 LEU 155 3HD2 LEU 155 -4.531 -6.452 -0.799 1155 H LYS 156 H LYS 156 -6.178 -12.270 0.399 1156 HA LYS 156 HA LYS 156 -7.160 -12.695 3.093 1157 1HB LYS 156 1HB LYS 156 -7.020 -14.867 1.007 1158 2HB LYS 156 2HB LYS 156 -8.148 -13.524 0.820 1159 1HG LYS 156 1HG LYS 156 -9.182 -14.040 2.964 1160 2HG LYS 156 2HG LYS 156 -7.981 -15.292 3.281 1161 1HD LYS 156 1HD LYS 156 -9.395 -15.583 0.704 1162 2HD LYS 156 2HD LYS 156 -10.431 -15.742 2.122 1163 1HE LYS 156 1HE LYS 156 -9.701 -17.904 2.099 1164 2HE LYS 156 2HE LYS 156 -8.280 -17.231 2.898 1165 1HZ LYS 156 1HZ LYS 156 -7.186 -17.022 0.788 1166 2HZ LYS 156 2HZ LYS 156 -8.575 -17.540 -0.042 1167 3HZ LYS 156 3HZ LYS 156 -7.730 -18.620 0.962 1168 H MET 157 H MET 157 -4.297 -13.695 1.344 1169 HA MET 157 HA MET 157 -3.523 -15.976 2.842 1170 1HB MET 157 1HB MET 157 -1.363 -14.108 2.034 1171 2HB MET 157 2HB MET 157 -2.452 -14.617 0.744 1172 1HG MET 157 1HG MET 157 -1.625 -16.724 0.740 1173 2HG MET 157 2HG MET 157 -1.647 -16.819 2.499 1174 1HE MET 157 1HE MET 157 1.592 -15.595 3.758 1175 2HE MET 157 2HE MET 157 -0.076 -16.095 4.026 1176 3HE MET 157 3HE MET 157 0.271 -14.440 3.533 1177 H MET 158 H MET 158 -2.893 -12.503 3.453 1178 HA MET 158 HA MET 158 -1.764 -13.235 6.111 1179 1HB MET 158 1HB MET 158 -1.841 -10.406 5.127 1180 2HB MET 158 2HB MET 158 -0.713 -11.521 4.354 1181 1HG MET 158 1HG MET 158 0.376 -11.998 6.435 1182 2HG MET 158 2HG MET 158 -0.896 -11.200 7.360 1183 1HE MET 158 1HE MET 158 2.244 -8.966 7.901 1184 2HE MET 158 2HE MET 158 2.134 -10.717 7.751 1185 3HE MET 158 3HE MET 158 0.918 -9.841 8.676 1186 H GLU 159 H GLU 159 -3.266 -13.296 7.701 1187 HA GLU 159 HA GLU 159 -5.877 -12.085 7.442 1188 1HB GLU 159 1HB GLU 159 -6.202 -12.836 9.789 1189 2HB GLU 159 2HB GLU 159 -4.491 -13.256 9.874 1190 1HG GLU 159 1HG GLU 159 -5.615 -15.293 9.350 1191 2HG GLU 159 2HG GLU 159 -4.913 -14.747 7.828 1192 H GLY 160 H GLY 160 -5.269 -9.837 7.041 1193 1HA GLY 160 1HA GLY 160 -4.024 -7.832 7.959 1194 2HA GLY 160 2HA GLY 160 -4.534 -8.380 9.556 1195 H VAL 161 H VAL 161 -5.893 -7.401 6.387 1196 HA VAL 161 HA VAL 161 -8.189 -6.200 7.883 1197 HB VAL 161 HB VAL 161 -6.595 -4.568 6.814 1198 1HG1 VAL 161 1HG1 VAL 161 -7.696 -5.105 4.123 1199 2HG1 VAL 161 2HG1 VAL 161 -6.551 -6.310 4.711 1200 3HG1 VAL 161 3HG1 VAL 161 -6.070 -4.618 4.601 1201 1HG2 VAL 161 1HG2 VAL 161 -9.242 -4.374 7.083 1202 2HG2 VAL 161 2HG2 VAL 161 -9.177 -4.331 5.321 1203 3HG2 VAL 161 3HG2 VAL 161 -8.312 -3.119 6.265 1204 H GLN 162 H GLN 162 -8.407 -8.857 7.158 1205 HA GLN 162 HA GLN 162 -9.535 -9.279 4.542 1206 1HB GLN 162 1HB GLN 162 -8.660 -11.131 5.931 1207 2HB GLN 162 2HB GLN 162 -10.324 -11.428 5.436 1208 1HG GLN 162 1HG GLN 162 -11.110 -10.592 7.643 1209 2HG GLN 162 2HG GLN 162 -9.435 -10.349 8.133 1210 1HE2 GLN 162 1HE2 GLN 162 -9.824 -11.969 9.887 1211 2HE2 GLN 162 2HE2 GLN 162 -9.819 -13.626 9.516 Start of MODEL 7 Raw file had 1211 H/Q atoms Start of MODEL 7 1 1H ALA 1 1H ALA 1 -34.044 15.175 -12.710 2 2H ALA 1 2H ALA 1 -34.663 14.841 -11.162 3 3H ALA 1 3H ALA 1 -35.679 14.763 -12.522 4 HA ALA 1 HA ALA 1 -35.042 12.548 -11.741 5 1HB ALA 1 1HB ALA 1 -35.551 12.903 -14.123 6 2HB ALA 1 2HB ALA 1 -34.259 11.716 -13.941 7 3HB ALA 1 3HB ALA 1 -33.876 13.369 -14.421 8 H SER 2 H SER 2 -33.383 11.104 -11.166 9 HA SER 2 HA SER 2 -30.830 12.331 -10.422 10 1HB SER 2 1HB SER 2 -30.341 9.881 -9.709 11 2HB SER 2 2HB SER 2 -32.038 9.587 -10.079 12 HG SER 2 HG SER 2 -32.640 10.733 -8.417 13 H MET 3 H MET 3 -29.521 12.742 -12.162 14 HA MET 3 HA MET 3 -29.112 10.559 -14.159 15 1HB MET 3 1HB MET 3 -29.853 12.762 -15.050 16 2HB MET 3 2HB MET 3 -28.272 12.287 -15.666 17 1HG MET 3 1HG MET 3 -27.205 13.997 -14.598 18 2HG MET 3 2HG MET 3 -28.211 13.856 -13.157 19 1HE MET 3 1HE MET 3 -30.621 15.573 -12.871 20 2HE MET 3 2HE MET 3 -29.658 17.017 -13.178 21 3HE MET 3 3HE MET 3 -28.908 15.609 -12.430 22 H THR 4 H THR 4 -27.481 12.443 -11.692 23 HA THR 4 HA THR 4 -24.810 11.563 -12.599 24 HB THR 4 HB THR 4 -24.050 12.804 -10.524 25 HG1 THR 4 HG1 THR 4 -25.583 13.229 -9.170 26 1HG2 THR 4 1HG2 THR 4 -24.308 14.956 -11.547 27 2HG2 THR 4 2HG2 THR 4 -25.791 14.460 -12.363 28 3HG2 THR 4 3HG2 THR 4 -24.241 13.781 -12.861 29 H ASP 5 H ASP 5 -25.753 9.242 -12.290 30 HA ASP 5 HA ASP 5 -25.920 8.274 -9.547 31 1HB ASP 5 1HB ASP 5 -27.111 6.962 -11.155 32 2HB ASP 5 2HB ASP 5 -25.730 5.982 -10.673 33 H GLN 6 H GLN 6 -23.472 8.008 -12.145 34 HA GLN 6 HA GLN 6 -21.482 6.809 -10.410 35 1HB GLN 6 1HB GLN 6 -21.272 6.402 -12.776 36 2HB GLN 6 2HB GLN 6 -19.897 7.392 -12.291 37 1HG GLN 6 1HG GLN 6 -21.257 9.422 -13.020 38 2HG GLN 6 2HG GLN 6 -22.396 8.289 -13.746 39 1HE2 GLN 6 1HE2 GLN 6 -21.971 8.010 -15.942 40 2HE2 GLN 6 2HE2 GLN 6 -20.427 8.028 -16.648 41 H GLN 7 H GLN 7 -22.200 10.133 -11.458 42 HA GLN 7 HA GLN 7 -19.832 11.299 -10.285 43 1HB GLN 7 1HB GLN 7 -21.486 13.402 -10.361 44 2HB GLN 7 2HB GLN 7 -22.394 12.323 -11.419 45 1HG GLN 7 1HG GLN 7 -20.031 11.928 -12.533 46 2HG GLN 7 2HG GLN 7 -19.644 13.477 -11.786 47 1HE2 GLN 7 1HE2 GLN 7 -22.317 12.010 -13.746 48 2HE2 GLN 7 2HE2 GLN 7 -22.581 13.401 -14.683 49 H ALA 8 H ALA 8 -23.211 10.954 -9.126 50 HA ALA 8 HA ALA 8 -22.781 12.314 -6.626 51 1HB ALA 8 1HB ALA 8 -25.035 11.851 -7.516 52 2HB ALA 8 2HB ALA 8 -24.853 11.211 -5.884 53 3HB ALA 8 3HB ALA 8 -24.777 10.123 -7.270 54 H GLU 9 H GLU 9 -21.562 9.302 -7.685 55 HA GLU 9 HA GLU 9 -21.290 8.277 -4.902 56 1HB GLU 9 1HB GLU 9 -20.358 6.227 -6.174 57 2HB GLU 9 2HB GLU 9 -20.989 7.001 -7.628 58 1HG GLU 9 1HG GLU 9 -23.242 7.075 -6.594 59 2HG GLU 9 2HG GLU 9 -22.601 6.278 -5.157 60 H ALA 10 H ALA 10 -19.385 9.002 -7.835 61 HA ALA 10 HA ALA 10 -16.814 8.576 -6.611 62 1HB ALA 10 1HB ALA 10 -16.124 10.227 -8.542 63 2HB ALA 10 2HB ALA 10 -17.790 9.996 -9.073 64 3HB ALA 10 3HB ALA 10 -16.706 8.612 -8.944 65 NH1 ARG 11 NH1 ARG 11 -18.961 18.028 -2.424 66 NH2 ARG 11 NH2 ARG 11 -20.326 18.336 -4.208 67 H ARG 11 H ARG 11 -19.107 11.221 -6.552 68 HA ARG 11 HA ARG 11 -17.258 13.292 -5.728 69 1HB ARG 11 1HB ARG 11 -20.034 13.485 -4.724 70 2HB ARG 11 2HB ARG 11 -19.901 13.280 -6.468 71 1HG ARG 11 1HG ARG 11 -19.845 15.645 -6.050 72 2HG ARG 11 2HG ARG 11 -18.195 15.165 -6.447 73 1HD ARG 11 1HD ARG 11 -17.530 15.216 -4.151 74 2HD ARG 11 2HD ARG 11 -19.201 15.314 -3.596 75 HE ARG 11 HE ARG 11 -17.790 17.541 -5.013 76 1HH1 ARG 11 1HH1 ARG 11 -20.941 18.888 -3.644 77 2HH1 ARG 11 2HH1 ARG 11 -20.540 18.179 -5.173 78 1HH2 ARG 11 1HH2 ARG 11 -18.133 17.633 -2.024 79 2HH2 ARG 11 2HH2 ARG 11 -19.574 18.579 -1.857 80 H ALA 12 H ALA 12 -19.360 10.994 -3.985 81 HA ALA 12 HA ALA 12 -18.683 11.929 -1.342 82 1HB ALA 12 1HB ALA 12 -19.561 9.687 -0.621 83 2HB ALA 12 2HB ALA 12 -19.701 9.245 -2.323 84 3HB ALA 12 3HB ALA 12 -20.668 10.569 -1.674 85 H PHE 13 H PHE 13 -16.971 10.010 -3.674 86 HA PHE 13 HA PHE 13 -15.325 8.462 -1.901 87 1HB PHE 13 1HB PHE 13 -14.631 9.510 -4.664 88 2HB PHE 13 2HB PHE 13 -15.565 8.047 -4.358 89 HD1 PHE 13 HD1 PHE 13 -12.255 9.522 -4.496 90 HD2 PHE 13 HD2 PHE 13 -14.498 6.143 -3.076 91 HE1 PHE 13 HE1 PHE 13 -10.151 8.239 -4.226 92 HE2 PHE 13 HE2 PHE 13 -12.392 4.860 -2.805 93 HZ PHE 13 HZ PHE 13 -10.219 5.908 -3.380 94 H LEU 14 H LEU 14 -14.905 11.716 -3.324 95 HA LEU 14 HA LEU 14 -12.485 12.065 -1.607 96 1HB LEU 14 1HB LEU 14 -11.853 12.610 -3.817 97 2HB LEU 14 2HB LEU 14 -12.170 14.175 -3.066 98 HG LEU 14 HG LEU 14 -14.658 13.500 -4.041 99 1HD1 LEU 14 1HD1 LEU 14 -12.920 14.888 -5.978 100 2HD1 LEU 14 2HD1 LEU 14 -12.833 15.526 -4.338 101 3HD1 LEU 14 3HD1 LEU 14 -14.384 15.452 -5.174 102 1HD2 LEU 14 1HD2 LEU 14 -12.592 12.645 -6.095 103 2HD2 LEU 14 2HD2 LEU 14 -14.338 12.703 -6.329 104 3HD2 LEU 14 3HD2 LEU 14 -13.638 11.536 -5.209 105 H SER 15 H SER 15 -12.662 13.331 0.149 106 HA SER 15 HA SER 15 -15.174 14.753 0.685 107 1HB SER 15 1HB SER 15 -14.062 15.295 2.869 108 2HB SER 15 2HB SER 15 -12.617 14.470 2.293 109 HG SER 15 HG SER 15 -15.031 13.428 3.123 110 H GLU 16 H GLU 16 -14.689 17.052 1.863 111 HA GLU 16 HA GLU 16 -14.023 18.898 -0.184 112 1HB GLU 16 1HB GLU 16 -13.930 20.588 1.665 113 2HB GLU 16 2HB GLU 16 -14.030 19.267 2.828 114 1HG GLU 16 1HG GLU 16 -16.244 18.843 2.356 115 2HG GLU 16 2HG GLU 16 -16.086 19.324 0.667 116 H GLU 17 H GLU 17 -11.950 17.291 2.169 117 HA GLU 17 HA GLU 17 -9.681 19.044 1.945 118 1HB GLU 17 1HB GLU 17 -9.473 16.067 2.418 119 2HB GLU 17 2HB GLU 17 -10.113 17.144 3.660 120 1HG GLU 17 1HG GLU 17 -8.026 18.496 3.517 121 2HG GLU 17 2HG GLU 17 -7.389 17.348 2.338 122 H MET 18 H MET 18 -10.553 16.015 0.255 123 HA MET 18 HA MET 18 -8.277 16.075 -1.528 124 1HB MET 18 1HB MET 18 -10.578 14.722 -2.652 125 2HB MET 18 2HB MET 18 -10.380 14.285 -0.959 126 1HG MET 18 1HG MET 18 -7.991 14.306 -2.787 127 2HG MET 18 2HG MET 18 -9.087 12.924 -2.792 128 1HE MET 18 1HE MET 18 -8.514 11.012 0.267 129 2HE MET 18 2HE MET 18 -8.753 11.011 -1.478 130 3HE MET 18 3HE MET 18 -9.922 11.819 -0.437 131 H ILE 19 H ILE 19 -11.696 17.000 -1.857 132 HA ILE 19 HA ILE 19 -11.762 17.845 -4.532 133 HB ILE 19 HB ILE 19 -13.132 19.019 -2.094 134 1HG1 ILE 19 1HG1 ILE 19 -13.562 16.604 -2.932 135 2HG1 ILE 19 2HG1 ILE 19 -14.342 17.370 -4.316 136 1HG2 ILE 19 1HG2 ILE 19 -14.736 19.968 -3.834 137 2HG2 ILE 19 2HG2 ILE 19 -13.496 19.623 -5.040 138 3HG2 ILE 19 3HG2 ILE 19 -13.166 20.765 -3.737 139 1HD1 ILE 19 1HD1 ILE 19 -15.618 18.744 -2.472 140 2HD1 ILE 19 2HD1 ILE 19 -15.150 17.409 -1.421 141 3HD1 ILE 19 3HD1 ILE 19 -16.140 17.103 -2.848 142 H ALA 20 H ALA 20 -10.549 19.639 -1.695 143 HA ALA 20 HA ALA 20 -10.103 22.146 -2.962 144 1HB ALA 20 1HB ALA 20 -8.308 20.962 -0.836 145 2HB ALA 20 2HB ALA 20 -9.916 21.590 -0.475 146 3HB ALA 20 3HB ALA 20 -8.675 22.663 -1.122 147 H GLU 21 H GLU 21 -7.870 19.363 -2.579 148 HA GLU 21 HA GLU 21 -5.692 20.543 -4.018 149 1HB GLU 21 1HB GLU 21 -6.343 17.584 -3.877 150 2HB GLU 21 2HB GLU 21 -5.585 18.470 -2.554 151 1HG GLU 21 1HG GLU 21 -4.463 18.389 -5.371 152 2HG GLU 21 2HG GLU 21 -3.962 17.280 -4.095 153 H PHE 22 H PHE 22 -8.497 18.634 -5.077 154 HA PHE 22 HA PHE 22 -7.646 18.389 -7.832 155 1HB PHE 22 1HB PHE 22 -9.965 17.723 -8.278 156 2HB PHE 22 2HB PHE 22 -10.464 18.324 -6.703 157 HD1 PHE 22 HD1 PHE 22 -11.235 16.298 -5.696 158 HD2 PHE 22 HD2 PHE 22 -7.312 16.469 -7.443 159 HE1 PHE 22 HE1 PHE 22 -10.689 14.100 -4.697 160 HE2 PHE 22 HE2 PHE 22 -6.771 14.270 -6.438 161 HZ PHE 22 HZ PHE 22 -8.460 13.084 -5.066 162 H LYS 23 H LYS 23 -9.324 20.871 -5.979 163 HA LYS 23 HA LYS 23 -10.382 22.351 -8.210 164 1HB LYS 23 1HB LYS 23 -9.545 23.677 -5.647 165 2HB LYS 23 2HB LYS 23 -10.885 22.529 -5.637 166 1HG LYS 23 1HG LYS 23 -11.791 23.907 -7.646 167 2HG LYS 23 2HG LYS 23 -10.656 25.149 -7.116 168 1HD LYS 23 1HD LYS 23 -11.876 24.396 -4.750 169 2HD LYS 23 2HD LYS 23 -13.198 24.296 -5.914 170 1HE LYS 23 1HE LYS 23 -13.010 26.571 -6.503 171 2HE LYS 23 2HE LYS 23 -11.374 26.696 -5.855 172 1HZ LYS 23 1HZ LYS 23 -12.236 26.471 -3.637 173 2HZ LYS 23 2HZ LYS 23 -13.814 26.240 -4.223 174 3HZ LYS 23 3HZ LYS 23 -13.043 27.741 -4.417 175 H ALA 24 H ALA 24 -7.177 22.184 -6.768 176 HA ALA 24 HA ALA 24 -6.164 24.687 -7.722 177 1HB ALA 24 1HB ALA 24 -4.521 22.165 -7.464 178 2HB ALA 24 2HB ALA 24 -5.071 23.068 -6.053 179 3HB ALA 24 3HB ALA 24 -4.000 23.833 -7.227 180 H ALA 25 H ALA 25 -5.841 21.417 -9.138 181 HA ALA 25 HA ALA 25 -4.699 22.382 -11.615 182 1HB ALA 25 1HB ALA 25 -6.155 19.757 -11.317 183 2HB ALA 25 2HB ALA 25 -4.568 20.009 -10.590 184 3HB ALA 25 3HB ALA 25 -4.766 20.136 -12.338 185 H PHE 26 H PHE 26 -7.995 21.727 -10.528 186 HA PHE 26 HA PHE 26 -9.222 21.853 -13.142 187 1HB PHE 26 1HB PHE 26 -10.398 22.357 -10.390 188 2HB PHE 26 2HB PHE 26 -10.322 20.795 -11.200 189 HD1 PHE 26 HD1 PHE 26 -12.024 24.029 -11.020 190 HD2 PHE 26 HD2 PHE 26 -11.661 20.369 -13.238 191 HE1 PHE 26 HE1 PHE 26 -14.169 24.511 -12.169 192 HE2 PHE 26 HE2 PHE 26 -13.805 20.850 -14.389 193 HZ PHE 26 HZ PHE 26 -15.058 22.924 -13.855 194 H ASP 27 H ASP 27 -8.693 24.239 -10.554 195 HA ASP 27 HA ASP 27 -10.111 26.399 -11.763 196 1HB ASP 27 1HB ASP 27 -7.891 26.267 -9.725 197 2HB ASP 27 2HB ASP 27 -9.602 26.583 -9.454 198 H MET 28 H MET 28 -6.651 25.447 -12.042 199 HA MET 28 HA MET 28 -5.852 27.752 -13.534 200 1HB MET 28 1HB MET 28 -4.119 26.351 -12.653 201 2HB MET 28 2HB MET 28 -3.993 26.294 -14.403 202 1HG MET 28 1HG MET 28 -5.240 24.147 -14.403 203 2HG MET 28 2HG MET 28 -5.278 24.196 -12.641 204 1HE MET 28 1HE MET 28 -2.501 25.027 -15.411 205 2HE MET 28 2HE MET 28 -3.474 23.617 -15.825 206 3HE MET 28 3HE MET 28 -1.765 23.419 -15.446 207 H PHE 29 H PHE 29 -7.054 24.576 -14.655 208 HA PHE 29 HA PHE 29 -6.963 25.234 -17.461 209 1HB PHE 29 1HB PHE 29 -8.950 23.422 -17.381 210 2HB PHE 29 2HB PHE 29 -8.263 23.137 -15.785 211 HD1 PHE 29 HD1 PHE 29 -7.354 23.390 -19.407 212 HD2 PHE 29 HD2 PHE 29 -6.280 21.886 -15.529 213 HE1 PHE 29 HE1 PHE 29 -5.508 22.081 -20.423 214 HE2 PHE 29 HE2 PHE 29 -4.436 20.580 -16.545 215 HZ PHE 29 HZ PHE 29 -4.049 20.677 -18.992 216 H ASP 30 H ASP 30 -9.154 25.951 -14.879 217 HA ASP 30 HA ASP 30 -11.363 26.840 -16.596 218 1HB ASP 30 1HB ASP 30 -11.004 27.402 -13.652 219 2HB ASP 30 2HB ASP 30 -11.566 25.835 -14.232 220 H ALA 31 H ALA 31 -9.005 28.171 -17.287 221 HA ALA 31 HA ALA 31 -8.534 30.650 -15.970 222 1HB ALA 31 1HB ALA 31 -8.111 29.737 -18.821 223 2HB ALA 31 2HB ALA 31 -6.903 29.948 -17.555 224 3HB ALA 31 3HB ALA 31 -7.667 31.359 -18.288 225 H ASP 32 H ASP 32 -10.385 30.121 -19.011 226 HA ASP 32 HA ASP 32 -11.883 32.631 -18.407 227 1HB ASP 32 1HB ASP 32 -12.567 32.426 -20.857 228 2HB ASP 32 2HB ASP 32 -11.399 31.110 -20.980 229 H GLY 33 H GLY 33 -12.624 30.302 -16.945 230 1HA GLY 33 1HA GLY 33 -14.378 28.465 -17.403 231 2HA GLY 33 2HA GLY 33 -15.312 29.760 -18.147 232 H GLY 34 H GLY 34 -16.237 28.205 -15.947 233 1HA GLY 34 1HA GLY 34 -17.657 29.603 -14.268 234 2HA GLY 34 2HA GLY 34 -16.084 30.090 -13.635 235 H GLY 35 H GLY 35 -18.362 27.438 -13.958 236 1HA GLY 35 1HA GLY 35 -18.570 25.860 -12.063 237 2HA GLY 35 2HA GLY 35 -16.819 25.943 -11.873 238 H ASP 36 H ASP 36 -16.621 25.857 -14.955 239 HA ASP 36 HA ASP 36 -16.419 22.952 -15.149 240 1HB ASP 36 1HB ASP 36 -18.501 22.620 -15.981 241 2HB ASP 36 2HB ASP 36 -17.877 23.346 -17.455 242 H ILE 37 H ILE 37 -15.340 22.287 -17.129 243 HA ILE 37 HA ILE 37 -13.681 24.488 -18.282 244 HB ILE 37 HB ILE 37 -13.195 21.507 -18.526 245 1HG1 ILE 37 1HG1 ILE 37 -11.626 21.763 -16.606 246 2HG1 ILE 37 2HG1 ILE 37 -13.300 22.044 -16.134 247 1HG2 ILE 37 1HG2 ILE 37 -11.484 23.985 -18.851 248 2HG2 ILE 37 2HG2 ILE 37 -11.901 22.795 -20.084 249 3HG2 ILE 37 3HG2 ILE 37 -10.814 22.356 -18.766 250 1HD1 ILE 37 1HD1 ILE 37 -11.162 23.764 -15.661 251 2HD1 ILE 37 2HD1 ILE 37 -12.870 24.188 -15.550 252 3HD1 ILE 37 3HD1 ILE 37 -11.982 24.494 -17.042 253 H SER 38 H SER 38 -13.400 24.584 -20.609 254 HA SER 38 HA SER 38 -15.380 22.974 -22.171 255 1HB SER 38 1HB SER 38 -15.940 24.958 -23.500 256 2HB SER 38 2HB SER 38 -14.813 25.932 -22.561 257 HG SER 38 HG SER 38 -16.937 26.160 -21.788 258 H THR 39 H THR 39 -14.840 23.392 -24.671 259 HA THR 39 HA THR 39 -12.149 22.420 -25.088 260 HB THR 39 HB THR 39 -13.813 23.560 -27.321 261 HG1 THR 39 HG1 THR 39 -15.315 22.136 -27.018 262 1HG2 THR 39 1HG2 THR 39 -12.134 21.052 -27.045 263 2HG2 THR 39 2HG2 THR 39 -11.570 22.571 -27.743 264 3HG2 THR 39 3HG2 THR 39 -12.861 21.664 -28.531 265 H LYS 40 H LYS 40 -13.709 25.584 -25.552 266 HA LYS 40 HA LYS 40 -11.537 26.867 -26.892 267 1HB LYS 40 1HB LYS 40 -13.391 28.267 -24.960 268 2HB LYS 40 2HB LYS 40 -13.953 27.710 -26.535 269 1HG LYS 40 1HG LYS 40 -11.520 29.469 -26.176 270 2HG LYS 40 2HG LYS 40 -13.135 30.119 -26.462 271 1HD LYS 40 1HD LYS 40 -13.200 28.555 -28.515 272 2HD LYS 40 2HD LYS 40 -11.459 28.386 -28.289 273 1HE LYS 40 1HE LYS 40 -11.054 30.651 -28.757 274 2HE LYS 40 2HE LYS 40 -12.713 31.123 -28.393 275 1HZ LYS 40 1HZ LYS 40 -11.887 29.452 -30.708 276 2HZ LYS 40 2HZ LYS 40 -12.249 31.111 -30.782 277 3HZ LYS 40 3HZ LYS 40 -13.460 29.993 -30.372 278 H GLU 41 H GLU 41 -12.451 27.067 -23.436 279 HA GLU 41 HA GLU 41 -10.159 28.433 -22.502 280 1HB GLU 41 1HB GLU 41 -10.667 27.273 -20.294 281 2HB GLU 41 2HB GLU 41 -11.935 26.390 -21.143 282 1HG GLU 41 1HG GLU 41 -12.224 29.145 -21.816 283 2HG GLU 41 2HG GLU 41 -12.021 29.052 -20.067 284 H LEU 42 H LEU 42 -10.632 24.980 -23.151 285 HA LEU 42 HA LEU 42 -8.319 23.923 -21.907 286 1HB LEU 42 1HB LEU 42 -8.842 22.692 -24.495 287 2HB LEU 42 2HB LEU 42 -10.334 22.975 -23.611 288 HG LEU 42 HG LEU 42 -9.244 20.742 -23.160 289 1HD1 LEU 42 1HD1 LEU 42 -7.238 22.326 -21.551 290 2HD1 LEU 42 2HD1 LEU 42 -6.896 21.786 -23.194 291 3HD1 LEU 42 3HD1 LEU 42 -7.219 20.603 -21.927 292 1HD2 LEU 42 1HD2 LEU 42 -9.839 22.765 -21.019 293 2HD2 LEU 42 2HD2 LEU 42 -9.280 21.158 -20.558 294 3HD2 LEU 42 3HD2 LEU 42 -10.764 21.341 -21.493 295 H GLY 43 H GLY 43 -8.663 24.753 -25.378 296 1HA GLY 43 1HA GLY 43 -7.101 25.608 -26.910 297 2HA GLY 43 2HA GLY 43 -5.973 24.498 -26.136 298 H THR 44 H THR 44 -7.558 27.241 -24.530 299 HA THR 44 HA THR 44 -5.375 29.097 -24.802 300 HB THR 44 HB THR 44 -7.307 29.009 -22.470 301 HG1 THR 44 HG1 THR 44 -8.839 29.377 -23.831 302 1HG2 THR 44 1HG2 THR 44 -6.169 31.386 -23.949 303 2HG2 THR 44 2HG2 THR 44 -5.345 30.650 -22.574 304 3HG2 THR 44 3HG2 THR 44 -6.945 31.362 -22.366 305 H VAL 45 H VAL 45 -6.235 26.762 -22.243 306 HA VAL 45 HA VAL 45 -3.967 27.399 -20.564 307 HB VAL 45 HB VAL 45 -5.597 24.837 -20.616 308 1HG1 VAL 45 1HG1 VAL 45 -3.723 26.127 -18.634 309 2HG1 VAL 45 2HG1 VAL 45 -3.724 24.466 -19.228 310 3HG1 VAL 45 3HG1 VAL 45 -4.970 25.001 -18.100 311 1HG2 VAL 45 1HG2 VAL 45 -6.209 26.864 -18.572 312 2HG2 VAL 45 2HG2 VAL 45 -7.305 25.914 -19.573 313 3HG2 VAL 45 3HG2 VAL 45 -6.585 27.390 -20.212 314 H MET 46 H MET 46 -4.399 25.262 -23.333 315 HA MET 46 HA MET 46 -2.069 23.615 -22.831 316 1HB MET 46 1HB MET 46 -2.287 22.906 -25.139 317 2HB MET 46 2HB MET 46 -3.292 24.303 -25.523 318 1HG MET 46 1HG MET 46 -5.155 23.331 -24.685 319 2HG MET 46 2HG MET 46 -4.307 22.700 -23.275 320 1HE MET 46 1HE MET 46 -4.747 20.730 -22.810 321 2HE MET 46 2HE MET 46 -3.191 20.039 -23.267 322 3HE MET 46 3HE MET 46 -4.681 19.235 -23.754 323 NH1 ARG 47 NH1 ARG 47 -5.322 28.147 -29.470 324 NH2 ARG 47 NH2 ARG 47 -4.398 26.134 -29.956 325 H ARG 47 H ARG 47 -2.647 26.532 -24.798 326 HA ARG 47 HA ARG 47 0.064 26.801 -25.718 327 1HB ARG 47 1HB ARG 47 -0.823 29.310 -25.943 328 2HB ARG 47 2HB ARG 47 -2.374 28.515 -25.678 329 1HG ARG 47 1HG ARG 47 -1.336 26.814 -27.482 330 2HG ARG 47 2HG ARG 47 -0.475 28.275 -27.964 331 1HD ARG 47 1HD ARG 47 -2.363 28.666 -29.191 332 2HD ARG 47 2HD ARG 47 -2.993 29.266 -27.658 333 HE ARG 47 HE ARG 47 -3.725 26.714 -27.418 334 1HH1 ARG 47 1HH1 ARG 47 -5.939 28.053 -30.252 335 2HH1 ARG 47 2HH1 ARG 47 -5.367 28.963 -28.893 336 1HH2 ARG 47 1HH2 ARG 47 -3.736 25.413 -29.753 337 2HH2 ARG 47 2HH2 ARG 47 -5.014 26.039 -30.738 338 H MET 48 H MET 48 -1.267 27.403 -22.585 339 HA MET 48 HA MET 48 0.305 29.664 -21.808 340 1HB MET 48 1HB MET 48 -1.638 28.536 -20.520 341 2HB MET 48 2HB MET 48 -0.290 29.164 -19.578 342 1HG MET 48 1HG MET 48 -0.060 26.338 -20.483 343 2HG MET 48 2HG MET 48 -1.267 26.671 -19.243 344 1HE MET 48 1HE MET 48 2.116 25.120 -17.783 345 2HE MET 48 2HE MET 48 1.043 24.815 -19.146 346 3HE MET 48 3HE MET 48 0.372 24.972 -17.525 347 H LEU 49 H LEU 49 1.083 26.235 -22.081 348 HA LEU 49 HA LEU 49 3.698 26.558 -20.774 349 1HB LEU 49 1HB LEU 49 2.669 24.205 -22.390 350 2HB LEU 49 2HB LEU 49 2.345 24.423 -20.670 351 HG LEU 49 HG LEU 49 5.183 24.738 -21.311 352 1HD1 LEU 49 1HD1 LEU 49 5.446 23.349 -19.381 353 2HD1 LEU 49 2HD1 LEU 49 3.811 22.706 -19.537 354 3HD1 LEU 49 3HD1 LEU 49 4.057 24.383 -19.052 355 1HD2 LEU 49 1HD2 LEU 49 4.520 23.071 -23.066 356 2HD2 LEU 49 2HD2 LEU 49 3.924 22.018 -21.784 357 3HD2 LEU 49 3HD2 LEU 49 5.640 22.414 -21.874 358 H GLY 50 H GLY 50 2.354 26.595 -24.035 359 1HA GLY 50 1HA GLY 50 5.138 26.849 -25.118 360 2HA GLY 50 2HA GLY 50 3.857 27.957 -25.601 361 H GLN 51 H GLN 51 2.442 24.927 -25.225 362 HA GLN 51 HA GLN 51 3.183 23.902 -27.893 363 1HB GLN 51 1HB GLN 51 0.968 22.774 -26.203 364 2HB GLN 51 2HB GLN 51 2.645 22.508 -25.726 365 1HG GLN 51 1HG GLN 51 3.088 21.166 -27.553 366 2HG GLN 51 2HG GLN 51 1.925 22.003 -28.581 367 1HE2 GLN 51 1HE2 GLN 51 -0.419 21.455 -28.241 368 2HE2 GLN 51 2HE2 GLN 51 -0.835 19.967 -27.538 369 H ASN 52 H ASN 52 1.700 23.779 -29.637 370 HA ASN 52 HA ASN 52 -0.763 25.451 -29.324 371 1HB ASN 52 1HB ASN 52 0.855 25.168 -31.870 372 2HB ASN 52 2HB ASN 52 1.115 26.472 -30.713 373 1HD2 ASN 52 1HD2 ASN 52 -0.203 26.198 -33.591 374 2HD2 ASN 52 2HD2 ASN 52 -1.614 27.125 -33.430 375 HA PRO 53 HA PRO 53 -2.108 21.280 -30.663 376 1HB PRO 53 1HB PRO 53 -2.670 20.697 -28.506 377 2HB PRO 53 2HB PRO 53 -4.287 21.227 -28.990 378 1HG PRO 53 1HG PRO 53 -2.868 22.328 -26.886 379 2HG PRO 53 2HG PRO 53 -4.118 23.203 -27.785 380 1HD PRO 53 1HD PRO 53 -1.192 23.587 -27.802 381 2HD PRO 53 2HD PRO 53 -2.463 24.675 -28.400 382 H THR 54 H THR 54 -4.549 20.696 -31.324 383 HA THR 54 HA THR 54 -5.588 23.060 -32.825 384 HB THR 54 HB THR 54 -5.120 21.428 -34.436 385 HG1 THR 54 HG1 THR 54 -7.125 21.923 -34.949 386 1HG2 THR 54 1HG2 THR 54 -4.529 19.460 -33.404 387 2HG2 THR 54 2HG2 THR 54 -6.141 19.007 -33.953 388 3HG2 THR 54 3HG2 THR 54 -5.890 19.521 -32.287 389 H LYS 55 H LYS 55 -7.897 23.301 -33.016 390 HA LYS 55 HA LYS 55 -9.289 23.024 -30.499 391 1HB LYS 55 1HB LYS 55 -11.241 23.887 -31.852 392 2HB LYS 55 2HB LYS 55 -10.195 23.819 -33.268 393 1HG LYS 55 1HG LYS 55 -8.622 25.171 -31.445 394 2HG LYS 55 2HG LYS 55 -10.237 25.764 -31.053 395 1HD LYS 55 1HD LYS 55 -9.402 25.617 -33.933 396 2HD LYS 55 2HD LYS 55 -8.802 26.943 -32.938 397 1HE LYS 55 1HE LYS 55 -10.760 27.978 -33.415 398 2HE LYS 55 2HE LYS 55 -11.498 26.842 -32.288 399 1HZ LYS 55 1HZ LYS 55 -11.871 25.316 -34.125 400 2HZ LYS 55 2HZ LYS 55 -11.168 26.420 -35.211 401 3HZ LYS 55 3HZ LYS 55 -12.622 26.808 -34.420 402 H GLU 56 H GLU 56 -9.587 21.382 -33.663 403 HA GLU 56 HA GLU 56 -11.865 19.793 -32.954 404 1HB GLU 56 1HB GLU 56 -11.142 20.108 -35.293 405 2HB GLU 56 2HB GLU 56 -11.279 18.398 -34.892 406 1HG GLU 56 1HG GLU 56 -9.044 18.037 -35.147 407 2HG GLU 56 2HG GLU 56 -8.612 19.563 -34.378 408 H GLU 57 H GLU 57 -8.409 19.309 -32.443 409 HA GLU 57 HA GLU 57 -8.651 16.533 -31.598 410 1HB GLU 57 1HB GLU 57 -6.464 18.491 -30.839 411 2HB GLU 57 2HB GLU 57 -6.511 17.646 -32.387 412 1HG GLU 57 1HG GLU 57 -6.852 15.540 -30.739 413 2HG GLU 57 2HG GLU 57 -5.932 16.591 -29.661 414 H LEU 58 H LEU 58 -8.520 19.666 -29.934 415 HA LEU 58 HA LEU 58 -8.610 18.615 -27.266 416 1HB LEU 58 1HB LEU 58 -9.722 21.098 -27.036 417 2HB LEU 58 2HB LEU 58 -8.884 21.249 -28.581 418 HG LEU 58 HG LEU 58 -6.828 20.306 -27.444 419 1HD1 LEU 58 1HD1 LEU 58 -6.602 22.587 -27.684 420 2HD1 LEU 58 2HD1 LEU 58 -6.653 22.506 -25.924 421 3HD1 LEU 58 3HD1 LEU 58 -8.105 22.934 -26.829 422 1HD2 LEU 58 1HD2 LEU 58 -8.564 19.583 -25.470 423 2HD2 LEU 58 2HD2 LEU 58 -7.923 21.083 -24.804 424 3HD2 LEU 58 3HD2 LEU 58 -6.828 19.767 -25.223 425 H ASP 59 H ASP 59 -11.121 19.537 -29.569 426 HA ASP 59 HA ASP 59 -13.349 19.409 -27.781 427 1HB ASP 59 1HB ASP 59 -13.708 18.519 -30.608 428 2HB ASP 59 2HB ASP 59 -13.108 20.157 -30.351 429 H ALA 60 H ALA 60 -11.629 16.927 -29.642 430 HA ALA 60 HA ALA 60 -13.505 14.795 -29.028 431 1HB ALA 60 1HB ALA 60 -11.432 13.348 -29.650 432 2HB ALA 60 2HB ALA 60 -10.677 14.883 -30.080 433 3HB ALA 60 3HB ALA 60 -12.144 14.358 -30.908 434 H ILE 61 H ILE 61 -10.585 16.091 -27.540 435 HA ILE 61 HA ILE 61 -10.088 14.073 -25.602 436 HB ILE 61 HB ILE 61 -9.572 17.044 -25.741 437 1HG1 ILE 61 1HG1 ILE 61 -8.269 15.142 -26.983 438 2HG1 ILE 61 2HG1 ILE 61 -7.556 14.831 -25.400 439 1HG2 ILE 61 1HG2 ILE 61 -9.025 15.189 -23.405 440 2HG2 ILE 61 2HG2 ILE 61 -9.892 16.725 -23.382 441 3HG2 ILE 61 3HG2 ILE 61 -8.149 16.700 -23.650 442 1HD1 ILE 61 1HD1 ILE 61 -6.154 16.571 -25.683 443 2HD1 ILE 61 2HD1 ILE 61 -7.530 17.660 -25.863 444 3HD1 ILE 61 3HD1 ILE 61 -6.848 16.860 -27.278 445 H ILE 62 H ILE 62 -12.410 16.754 -25.639 446 HA ILE 62 HA ILE 62 -13.230 16.320 -22.856 447 HB ILE 62 HB ILE 62 -14.561 17.965 -25.033 448 1HG1 ILE 62 1HG1 ILE 62 -12.223 18.669 -24.593 449 2HG1 ILE 62 2HG1 ILE 62 -12.585 18.783 -22.874 450 1HG2 ILE 62 1HG2 ILE 62 -15.008 17.585 -22.094 451 2HG2 ILE 62 2HG2 ILE 62 -16.186 17.807 -23.385 452 3HG2 ILE 62 3HG2 ILE 62 -15.274 19.188 -22.779 453 1HD1 ILE 62 1HD1 ILE 62 -13.277 20.896 -23.211 454 2HD1 ILE 62 2HD1 ILE 62 -14.590 20.269 -24.208 455 3HD1 ILE 62 3HD1 ILE 62 -13.057 20.721 -24.952 456 H GLU 63 H GLU 63 -14.440 15.472 -26.088 457 HA GLU 63 HA GLU 63 -17.001 14.502 -25.323 458 1HB GLU 63 1HB GLU 63 -16.085 12.849 -27.411 459 2HB GLU 63 2HB GLU 63 -15.293 14.403 -27.662 460 1HG GLU 63 1HG GLU 63 -17.377 14.579 -28.798 461 2HG GLU 63 2HG GLU 63 -17.600 15.455 -27.286 462 H GLU 64 H GLU 64 -13.840 12.874 -25.447 463 HA GLU 64 HA GLU 64 -14.717 10.241 -24.808 464 1HB GLU 64 1HB GLU 64 -12.142 11.069 -23.613 465 2HB GLU 64 2HB GLU 64 -12.290 11.404 -25.337 466 1HG GLU 64 1HG GLU 64 -11.390 9.196 -25.181 467 2HG GLU 64 2HG GLU 64 -13.091 8.988 -25.596 468 H VAL 65 H VAL 65 -13.729 12.933 -22.669 469 HA VAL 65 HA VAL 65 -14.128 11.452 -20.216 470 HB VAL 65 HB VAL 65 -14.123 14.454 -20.680 471 1HG1 VAL 65 1HG1 VAL 65 -13.500 14.527 -18.263 472 2HG1 VAL 65 2HG1 VAL 65 -13.769 12.787 -18.168 473 3HG1 VAL 65 3HG1 VAL 65 -15.115 13.868 -18.523 474 1HG2 VAL 65 1HG2 VAL 65 -11.745 14.213 -19.830 475 2HG2 VAL 65 2HG2 VAL 65 -12.027 13.526 -21.429 476 3HG2 VAL 65 3HG2 VAL 65 -11.927 12.470 -20.020 477 H ASP 66 H ASP 66 -16.193 13.577 -22.169 478 HA ASP 66 HA ASP 66 -18.378 13.645 -20.283 479 1HB ASP 66 1HB ASP 66 -19.626 14.259 -22.560 480 2HB ASP 66 2HB ASP 66 -17.970 14.462 -23.135 481 H GLU 67 H GLU 67 -18.306 11.294 -19.866 482 HA GLU 67 HA GLU 67 -18.917 9.239 -21.690 483 1HB GLU 67 1HB GLU 67 -20.229 8.424 -19.428 484 2HB GLU 67 2HB GLU 67 -19.136 9.639 -18.770 485 1HG GLU 67 1HG GLU 67 -17.214 8.512 -19.703 486 2HG GLU 67 2HG GLU 67 -18.242 7.399 -20.607 487 H ASP 68 H ASP 68 -21.163 11.333 -19.857 488 HA ASP 68 HA ASP 68 -23.552 10.103 -20.941 489 1HB ASP 68 1HB ASP 68 -23.323 12.919 -19.848 490 2HB ASP 68 2HB ASP 68 -23.373 11.500 -18.802 491 H GLY 69 H GLY 69 -21.442 12.754 -21.943 492 1HA GLY 69 1HA GLY 69 -22.910 12.862 -24.526 493 2HA GLY 69 2HA GLY 69 -21.262 13.430 -24.259 494 H SER 70 H SER 70 -21.511 15.095 -22.093 495 HA SER 70 HA SER 70 -23.779 16.924 -22.456 496 1HB SER 70 1HB SER 70 -21.395 17.776 -20.887 497 2HB SER 70 2HB SER 70 -22.260 16.359 -20.297 498 HG SER 70 HG SER 70 -23.726 17.644 -19.584 499 H GLY 71 H GLY 71 -20.264 16.985 -23.116 500 1HA GLY 71 1HA GLY 71 -20.733 19.394 -24.833 501 2HA GLY 71 2HA GLY 71 -19.666 18.077 -25.321 502 H THR 72 H THR 72 -20.051 19.858 -22.234 503 HA THR 72 HA THR 72 -17.182 20.676 -22.439 504 HB THR 72 HB THR 72 -17.825 22.373 -20.677 505 HG1 THR 72 HG1 THR 72 -19.654 21.875 -19.766 506 1HG2 THR 72 1HG2 THR 72 -19.426 22.471 -23.249 507 2HG2 THR 72 2HG2 THR 72 -17.732 22.937 -23.088 508 3HG2 THR 72 3HG2 THR 72 -18.983 23.854 -22.249 509 H ILE 73 H ILE 73 -16.020 20.748 -20.263 510 HA ILE 73 HA ILE 73 -16.628 18.230 -18.808 511 HB ILE 73 HB ILE 73 -14.280 19.987 -18.159 512 1HG1 ILE 73 1HG1 ILE 73 -14.423 19.745 -20.679 513 2HG1 ILE 73 2HG1 ILE 73 -14.330 18.001 -20.453 514 1HG2 ILE 73 1HG2 ILE 73 -13.245 17.845 -17.639 515 2HG2 ILE 73 2HG2 ILE 73 -14.621 16.979 -18.324 516 3HG2 ILE 73 3HG2 ILE 73 -14.819 17.925 -16.849 517 1HD1 ILE 73 1HD1 ILE 73 -12.215 20.055 -20.213 518 2HD1 ILE 73 2HD1 ILE 73 -12.082 18.346 -20.628 519 3HD1 ILE 73 3HD1 ILE 73 -12.211 18.836 -18.939 520 H ASP 74 H ASP 74 -17.228 18.187 -16.665 521 HA ASP 74 HA ASP 74 -17.926 20.809 -15.422 522 1HB ASP 74 1HB ASP 74 -19.500 19.537 -14.047 523 2HB ASP 74 2HB ASP 74 -18.906 18.027 -14.724 524 H PHE 75 H PHE 75 -17.785 20.718 -12.910 525 HA PHE 75 HA PHE 75 -15.050 20.069 -12.190 526 1HB PHE 75 1HB PHE 75 -17.347 20.792 -10.341 527 2HB PHE 75 2HB PHE 75 -16.323 21.971 -11.158 528 HD1 PHE 75 HD1 PHE 75 -13.644 20.867 -10.980 529 HD2 PHE 75 HD2 PHE 75 -16.792 20.793 -8.058 530 HE1 PHE 75 HE1 PHE 75 -11.961 20.651 -9.174 531 HE2 PHE 75 HE2 PHE 75 -15.106 20.576 -6.253 532 HZ PHE 75 HZ PHE 75 -12.691 20.504 -6.810 533 H GLU 76 H GLU 76 -18.235 18.713 -11.290 534 HA GLU 76 HA GLU 76 -17.116 16.540 -9.747 535 1HB GLU 76 1HB GLU 76 -19.454 17.217 -9.427 536 2HB GLU 76 2HB GLU 76 -19.380 15.530 -9.926 537 1HG GLU 76 1HG GLU 76 -20.874 16.105 -11.529 538 2HG GLU 76 2HG GLU 76 -19.519 16.881 -12.345 539 H GLU 77 H GLU 77 -17.513 17.104 -13.155 540 HA GLU 77 HA GLU 77 -17.382 14.306 -13.979 541 1HB GLU 77 1HB GLU 77 -16.439 16.594 -15.702 542 2HB GLU 77 2HB GLU 77 -18.162 16.419 -15.364 543 1HG GLU 77 1HG GLU 77 -18.032 14.058 -16.190 544 2HG GLU 77 2HG GLU 77 -16.348 14.341 -16.632 545 H PHE 78 H PHE 78 -15.204 16.964 -13.333 546 HA PHE 78 HA PHE 78 -12.763 15.686 -14.173 547 1HB PHE 78 1HB PHE 78 -13.415 18.014 -12.343 548 2HB PHE 78 2HB PHE 78 -12.830 18.087 -14.000 549 HD1 PHE 78 HD1 PHE 78 -10.528 16.712 -14.375 550 HD2 PHE 78 HD2 PHE 78 -11.861 18.377 -10.646 551 HE1 PHE 78 HE1 PHE 78 -8.195 16.706 -13.535 552 HE2 PHE 78 HE2 PHE 78 -9.527 18.374 -9.812 553 HZ PHE 78 HZ PHE 78 -7.694 17.537 -11.255 554 H LEU 79 H LEU 79 -14.582 15.894 -11.127 555 HA LEU 79 HA LEU 79 -12.556 14.608 -9.499 556 1HB LEU 79 1HB LEU 79 -14.320 14.386 -7.819 557 2HB LEU 79 2HB LEU 79 -15.543 14.759 -9.029 558 HG LEU 79 HG LEU 79 -14.371 16.983 -9.375 559 1HD1 LEU 79 1HD1 LEU 79 -15.638 17.983 -7.707 560 2HD1 LEU 79 2HD1 LEU 79 -15.183 16.783 -6.499 561 3HD1 LEU 79 3HD1 LEU 79 -16.368 16.379 -7.741 562 1HD2 LEU 79 1HD2 LEU 79 -13.148 16.964 -6.732 563 2HD2 LEU 79 2HD2 LEU 79 -12.455 17.461 -8.275 564 3HD2 LEU 79 3HD2 LEU 79 -12.404 15.767 -7.792 565 H VAL 80 H VAL 80 -15.653 13.387 -10.872 566 HA VAL 80 HA VAL 80 -15.287 10.680 -10.078 567 HB VAL 80 HB VAL 80 -17.422 11.659 -10.978 568 1HG1 VAL 80 1HG1 VAL 80 -16.083 11.257 -13.668 569 2HG1 VAL 80 2HG1 VAL 80 -16.403 12.824 -12.925 570 3HG1 VAL 80 3HG1 VAL 80 -17.744 11.782 -13.393 571 1HG2 VAL 80 1HG2 VAL 80 -16.637 9.106 -10.960 572 2HG2 VAL 80 2HG2 VAL 80 -16.802 9.299 -12.704 573 3HG2 VAL 80 3HG2 VAL 80 -18.187 9.585 -11.650 574 H MET 81 H MET 81 -13.983 12.481 -12.803 575 HA MET 81 HA MET 81 -12.991 10.213 -14.281 576 1HB MET 81 1HB MET 81 -12.502 13.175 -14.261 577 2HB MET 81 2HB MET 81 -13.045 12.146 -15.582 578 1HG MET 81 1HG MET 81 -10.750 11.141 -15.668 579 2HG MET 81 2HG MET 81 -10.247 12.305 -14.443 580 1HE MET 81 1HE MET 81 -9.924 14.529 -14.585 581 2HE MET 81 2HE MET 81 -9.535 15.426 -16.050 582 3HE MET 81 3HE MET 81 -8.561 14.031 -15.595 583 H MET 82 H MET 82 -11.589 12.390 -11.821 584 HA MET 82 HA MET 82 -9.003 11.073 -11.766 585 1HB MET 82 1HB MET 82 -10.091 12.484 -9.355 586 2HB MET 82 2HB MET 82 -9.811 13.430 -10.817 587 1HG MET 82 1HG MET 82 -7.485 12.128 -10.780 588 2HG MET 82 2HG MET 82 -7.845 12.022 -9.056 589 1HE MET 82 1HE MET 82 -7.032 14.029 -12.082 590 2HE MET 82 2HE MET 82 -5.585 13.820 -11.098 591 3HE MET 82 3HE MET 82 -6.208 15.439 -11.403 592 H VAL 83 H VAL 83 -12.100 10.538 -10.212 593 HA VAL 83 HA VAL 83 -11.192 8.751 -8.141 594 HB VAL 83 HB VAL 83 -13.818 9.525 -9.375 595 1HG1 VAL 83 1HG1 VAL 83 -14.157 7.157 -9.181 596 2HG1 VAL 83 2HG1 VAL 83 -14.924 7.893 -7.773 597 3HG1 VAL 83 3HG1 VAL 83 -13.355 7.105 -7.611 598 1HG2 VAL 83 1HG2 VAL 83 -13.148 9.297 -6.450 599 2HG2 VAL 83 2HG2 VAL 83 -14.251 10.412 -7.256 600 3HG2 VAL 83 3HG2 VAL 83 -12.509 10.641 -7.396 601 NH1 ARG 84 NH1 ARG 84 -11.347 8.300 -17.882 602 NH2 ARG 84 NH2 ARG 84 -11.380 6.070 -18.290 603 H ARG 84 H ARG 84 -12.164 8.304 -11.531 604 HA ARG 84 HA ARG 84 -12.096 5.362 -11.232 605 1HB ARG 84 1HB ARG 84 -13.847 6.413 -12.624 606 2HB ARG 84 2HB ARG 84 -12.845 5.303 -13.556 607 1HG ARG 84 1HG ARG 84 -11.470 7.650 -13.875 608 2HG ARG 84 2HG ARG 84 -13.130 8.237 -13.785 609 1HD ARG 84 1HD ARG 84 -13.389 7.629 -15.938 610 2HD ARG 84 2HD ARG 84 -13.220 5.949 -15.432 611 HE ARG 84 HE ARG 84 -10.628 6.597 -15.669 612 1HH1 ARG 84 1HH1 ARG 84 -11.305 8.482 -18.864 613 2HH1 ARG 84 2HH1 ARG 84 -11.356 9.063 -17.233 614 1HH2 ARG 84 1HH2 ARG 84 -11.413 5.127 -17.955 615 2HH2 ARG 84 2HH2 ARG 84 -11.338 6.247 -19.274 616 H GLN 85 H GLN 85 -9.660 7.475 -11.393 617 HA GLN 85 HA GLN 85 -8.027 5.666 -13.118 618 1HB GLN 85 1HB GLN 85 -8.381 7.802 -14.296 619 2HB GLN 85 2HB GLN 85 -6.690 7.589 -13.857 620 1HG GLN 85 1HG GLN 85 -8.408 9.005 -11.879 621 2HG GLN 85 2HG GLN 85 -8.044 9.872 -13.368 622 1HE2 GLN 85 1HE2 GLN 85 -6.973 9.843 -10.339 623 2HE2 GLN 85 2HE2 GLN 85 -5.299 9.995 -10.568 624 H MET 86 H MET 86 -8.214 7.591 -10.167 625 HA MET 86 HA MET 86 -5.463 7.368 -9.387 626 1HB MET 86 1HB MET 86 -7.524 7.302 -7.249 627 2HB MET 86 2HB MET 86 -7.609 8.668 -8.359 628 1HG MET 86 1HG MET 86 -6.063 9.577 -6.944 629 2HG MET 86 2HG MET 86 -4.930 8.595 -7.873 630 1HE MET 86 1HE MET 86 -5.661 9.525 -4.298 631 2HE MET 86 2HE MET 86 -6.473 8.104 -3.647 632 3HE MET 86 3HE MET 86 -7.205 8.996 -4.979 633 H LYS 87 H LYS 87 -7.909 4.953 -9.614 634 HA LYS 87 HA LYS 87 -6.952 3.256 -7.463 635 1HB LYS 87 1HB LYS 87 -8.349 1.501 -8.628 636 2HB LYS 87 2HB LYS 87 -8.717 2.713 -9.856 637 1HG LYS 87 1HG LYS 87 -9.669 4.186 -8.121 638 2HG LYS 87 2HG LYS 87 -9.277 2.991 -6.885 639 1HD LYS 87 1HD LYS 87 -11.519 2.502 -7.336 640 2HD LYS 87 2HD LYS 87 -10.682 1.367 -8.395 641 1HE LYS 87 1HE LYS 87 -11.357 2.450 -10.290 642 2HE LYS 87 2HE LYS 87 -11.185 4.045 -9.559 643 1HZ LYS 87 1HZ LYS 87 -13.496 3.544 -10.002 644 2HZ LYS 87 2HZ LYS 87 -13.233 3.657 -8.327 645 3HZ LYS 87 3HZ LYS 87 -13.405 2.134 -9.063 646 H GLU 88 H GLU 88 -6.718 2.926 -11.013 647 HA GLU 88 HA GLU 88 -4.540 0.958 -10.673 648 1HB GLU 88 1HB GLU 88 -5.348 1.904 -13.381 649 2HB GLU 88 2HB GLU 88 -6.544 1.004 -12.449 650 1HG GLU 88 1HG GLU 88 -4.697 -0.728 -12.041 651 2HG GLU 88 2HG GLU 88 -3.781 0.107 -13.295 652 H ASP 89 H ASP 89 -4.949 4.291 -11.800 653 HA ASP 89 HA ASP 89 -2.283 4.498 -12.929 654 1HB ASP 89 1HB ASP 89 -3.930 6.831 -11.966 655 2HB ASP 89 2HB ASP 89 -4.369 5.947 -13.422 656 H ALA 90 H ALA 90 -3.489 4.635 -9.685 657 HA ALA 90 HA ALA 90 -1.706 6.451 -8.450 658 1HB ALA 90 1HB ALA 90 -1.919 4.619 -6.504 659 2HB ALA 90 2HB ALA 90 -3.208 4.033 -7.556 660 3HB ALA 90 3HB ALA 90 -3.258 5.682 -6.934 661 H LYS 91 H LYS 91 0.312 6.075 -7.307 662 HA LYS 91 HA LYS 91 2.202 4.445 -8.788 663 1HB LYS 91 1HB LYS 91 2.791 5.567 -6.060 664 2HB LYS 91 2HB LYS 91 2.564 6.668 -7.420 665 1HG LYS 91 1HG LYS 91 4.362 5.622 -8.651 666 2HG LYS 91 2HG LYS 91 4.497 4.332 -7.455 667 1HD LYS 91 1HD LYS 91 5.461 5.747 -5.854 668 2HD LYS 91 2HD LYS 91 4.816 7.204 -6.610 669 1HE LYS 91 1HE LYS 91 6.747 5.507 -8.157 670 2HE LYS 91 2HE LYS 91 7.373 6.562 -6.890 671 1HZ LYS 91 1HZ LYS 91 6.271 8.433 -7.945 672 2HZ LYS 91 2HZ LYS 91 5.659 7.417 -9.162 673 3HZ LYS 91 3HZ LYS 91 7.332 7.678 -9.031 674 H GLY 92 H GLY 92 0.256 3.976 -5.926 675 1HA GLY 92 1HA GLY 92 1.440 1.256 -5.605 676 2HA GLY 92 2HA GLY 92 -0.212 1.693 -5.162 677 H LYS 93 H LYS 93 0.687 4.278 -3.940 678 HA LYS 93 HA LYS 93 2.593 3.746 -1.867 679 1HB LYS 93 1HB LYS 93 2.033 6.029 -2.569 680 2HB LYS 93 2HB LYS 93 1.728 5.822 -0.852 681 1HG LYS 93 1HG LYS 93 -0.593 5.857 -1.119 682 2HG LYS 93 2HG LYS 93 -0.503 5.360 -2.808 683 1HD LYS 93 1HD LYS 93 0.107 7.508 -3.537 684 2HD LYS 93 2HD LYS 93 0.662 7.997 -1.936 685 1HE LYS 93 1HE LYS 93 -1.411 8.674 -1.315 686 2HE LYS 93 2HE LYS 93 -2.172 7.230 -1.983 687 1HZ LYS 93 1HZ LYS 93 -2.034 8.198 -4.181 688 2HZ LYS 93 2HZ LYS 93 -1.258 9.577 -3.561 689 3HZ LYS 93 3HZ LYS 93 -2.870 9.243 -3.140 690 H SER 94 H SER 94 -0.994 3.656 -1.868 691 HA SER 94 HA SER 94 -1.176 2.838 0.909 692 1HB SER 94 1HB SER 94 -3.094 3.907 -0.094 693 2HB SER 94 2HB SER 94 -3.550 2.246 0.271 694 HG SER 94 HG SER 94 -3.700 1.802 -1.775 695 H GLU 95 H GLU 95 -1.258 1.106 -2.204 696 HA GLU 95 HA GLU 95 -1.680 -1.515 -1.058 697 1HB GLU 95 1HB GLU 95 -0.231 -1.354 -3.632 698 2HB GLU 95 2HB GLU 95 -1.762 -0.482 -3.591 699 1HG GLU 95 1HG GLU 95 -2.450 -2.824 -2.351 700 2HG GLU 95 2HG GLU 95 -1.239 -3.386 -3.503 701 H GLU 96 H GLU 96 1.102 0.517 -1.225 702 HA GLU 96 HA GLU 96 3.229 -1.314 -1.492 703 1HB GLU 96 1HB GLU 96 3.565 0.798 0.562 704 2HB GLU 96 2HB GLU 96 3.068 1.355 -1.036 705 1HG GLU 96 1HG GLU 96 4.991 -0.295 -1.835 706 2HG GLU 96 2HG GLU 96 5.595 -0.023 -0.200 707 H GLU 97 H GLU 97 1.097 -0.768 1.269 708 HA GLU 97 HA GLU 97 2.660 -1.884 3.342 709 1HB GLU 97 1HB GLU 97 0.052 -2.760 3.846 710 2HB GLU 97 2HB GLU 97 -0.162 -1.305 2.877 711 1HG GLU 97 1HG GLU 97 0.000 -0.367 4.993 712 2HG GLU 97 2HG GLU 97 1.698 -0.347 4.517 713 H LEU 98 H LEU 98 0.078 -3.679 1.581 714 HA LEU 98 HA LEU 98 1.161 -6.241 2.406 715 1HB LEU 98 1HB LEU 98 -0.444 -7.061 0.515 716 2HB LEU 98 2HB LEU 98 -0.984 -5.388 0.478 717 HG LEU 98 HG LEU 98 -0.768 -6.449 3.201 718 1HD1 LEU 98 1HD1 LEU 98 -3.137 -5.323 1.683 719 2HD1 LEU 98 2HD1 LEU 98 -1.897 -4.321 2.437 720 3HD1 LEU 98 3HD1 LEU 98 -2.913 -5.365 3.432 721 1HD2 LEU 98 1HD2 LEU 98 -2.463 -7.842 1.134 722 2HD2 LEU 98 2HD2 LEU 98 -3.004 -7.745 2.810 723 3HD2 LEU 98 3HD2 LEU 98 -1.483 -8.549 2.418 724 H ALA 99 H ALA 99 1.532 -4.202 -0.466 725 HA ALA 99 HA ALA 99 2.716 -6.112 -2.213 726 1HB ALA 99 1HB ALA 99 2.002 -3.841 -2.921 727 2HB ALA 99 2HB ALA 99 3.668 -4.182 -3.393 728 3HB ALA 99 3HB ALA 99 3.339 -3.151 -2.001 729 H ASN 100 H ASN 100 4.137 -4.161 0.395 730 HA ASN 100 HA ASN 100 6.887 -4.776 -0.179 731 1HB ASN 100 1HB ASN 100 7.057 -4.316 2.418 732 2HB ASN 100 2HB ASN 100 5.383 -3.797 2.234 733 1HD2 ASN 100 1HD2 ASN 100 7.568 -1.979 2.892 734 2HD2 ASN 100 2HD2 ASN 100 7.728 -0.888 1.601 735 H CYS 101 H CYS 101 4.594 -6.207 2.191 736 HA CYS 101 HA CYS 101 6.327 -8.351 2.994 737 1HB CYS 101 1HB CYS 101 4.129 -9.463 3.680 738 2HB CYS 101 2HB CYS 101 3.313 -8.043 3.027 739 HG CYS 101 HG CYS 101 4.079 -7.950 5.712 740 H PHE 102 H PHE 102 3.958 -8.010 0.389 741 HA PHE 102 HA PHE 102 3.838 -10.688 -0.525 742 1HB PHE 102 1HB PHE 102 3.806 -8.173 -2.228 743 2HB PHE 102 2HB PHE 102 2.415 -8.774 -1.330 744 HD1 PHE 102 HD1 PHE 102 4.371 -9.072 -4.349 745 HD2 PHE 102 HD2 PHE 102 1.545 -11.111 -1.846 746 HE1 PHE 102 HE1 PHE 102 3.806 -10.589 -6.224 747 HE2 PHE 102 HE2 PHE 102 0.980 -12.630 -3.717 748 HZ PHE 102 HZ PHE 102 2.094 -12.368 -5.911 749 NH1 ARG 103 NH1 ARG 103 13.088 -6.216 -3.860 750 NH2 ARG 103 NH2 ARG 103 13.803 -8.299 -4.403 751 H ARG 103 H ARG 103 5.983 -8.035 -1.657 752 HA ARG 103 HA ARG 103 7.576 -9.674 -3.377 753 1HB ARG 103 1HB ARG 103 8.785 -7.314 -1.978 754 2HB ARG 103 2HB ARG 103 7.437 -7.044 -3.083 755 1HG ARG 103 1HG ARG 103 9.189 -6.908 -4.586 756 2HG ARG 103 2HG ARG 103 8.891 -8.645 -4.657 757 1HD ARG 103 1HD ARG 103 10.729 -9.131 -3.247 758 2HD ARG 103 2HD ARG 103 10.827 -7.472 -2.657 759 HE ARG 103 HE ARG 103 11.337 -7.807 -5.538 760 1HH1 ARG 103 1HH1 ARG 103 14.741 -8.041 -4.167 761 2HH1 ARG 103 2HH1 ARG 103 13.608 -9.225 -4.729 762 1HH2 ARG 103 1HH2 ARG 103 12.347 -5.550 -3.770 763 2HH2 ARG 103 2HH2 ARG 103 14.025 -5.955 -3.621 764 H ILE 104 H ILE 104 7.909 -8.887 0.086 765 HA ILE 104 HA ILE 104 10.502 -9.914 0.549 766 HB ILE 104 HB ILE 104 8.030 -9.911 2.305 767 1HG1 ILE 104 1HG1 ILE 104 9.286 -7.761 1.532 768 2HG1 ILE 104 2HG1 ILE 104 10.550 -8.288 2.644 769 1HG2 ILE 104 1HG2 ILE 104 10.859 -10.798 2.908 770 2HG2 ILE 104 2HG2 ILE 104 9.356 -11.669 3.214 771 3HG2 ILE 104 3HG2 ILE 104 9.763 -10.247 4.174 772 1HD1 ILE 104 1HD1 ILE 104 8.003 -7.028 3.233 773 2HD1 ILE 104 2HD1 ILE 104 9.368 -7.329 4.309 774 3HD1 ILE 104 3HD1 ILE 104 8.140 -8.572 4.073 775 H PHE 105 H PHE 105 7.415 -11.633 0.191 776 HA PHE 105 HA PHE 105 8.449 -14.215 0.983 777 1HB PHE 105 1HB PHE 105 6.364 -15.040 -0.266 778 2HB PHE 105 2HB PHE 105 6.002 -13.340 -0.559 779 HD1 PHE 105 HD1 PHE 105 4.504 -12.391 0.945 780 HD2 PHE 105 HD2 PHE 105 7.210 -15.426 2.333 781 HE1 PHE 105 HE1 PHE 105 3.549 -12.203 3.225 782 HE2 PHE 105 HE2 PHE 105 6.253 -15.237 4.612 783 HZ PHE 105 HZ PHE 105 4.422 -13.625 5.057 784 H ASP 106 H ASP 106 7.973 -12.642 -2.215 785 HA ASP 106 HA ASP 106 9.301 -14.958 -3.494 786 1HB ASP 106 1HB ASP 106 7.511 -14.186 -4.841 787 2HB ASP 106 2HB ASP 106 8.954 -13.564 -5.633 788 H LYS 107 H LYS 107 11.419 -14.846 -2.749 789 HA LYS 107 HA LYS 107 12.966 -12.407 -2.704 790 1HB LYS 107 1HB LYS 107 13.434 -14.466 -1.321 791 2HB LYS 107 2HB LYS 107 14.844 -13.798 -2.140 792 1HG LYS 107 1HG LYS 107 14.963 -15.551 -3.657 793 2HG LYS 107 2HG LYS 107 13.238 -15.903 -3.546 794 1HD LYS 107 1HD LYS 107 13.714 -16.624 -1.123 795 2HD LYS 107 2HD LYS 107 15.420 -16.596 -1.572 796 1HE LYS 107 1HE LYS 107 15.026 -18.228 -3.336 797 2HE LYS 107 2HE LYS 107 13.288 -18.176 -3.043 798 1HZ LYS 107 1HZ LYS 107 13.737 -18.967 -0.766 799 2HZ LYS 107 2HZ LYS 107 15.378 -19.146 -1.174 800 3HZ LYS 107 3HZ LYS 107 14.195 -20.078 -1.960 801 H ASN 108 H ASN 108 12.003 -14.370 -5.326 802 HA ASN 108 HA ASN 108 14.390 -13.824 -6.960 803 1HB ASN 108 1HB ASN 108 11.898 -14.805 -8.245 804 2HB ASN 108 2HB ASN 108 12.595 -15.861 -7.017 805 1HD2 ASN 108 1HD2 ASN 108 14.416 -17.092 -7.631 806 2HD2 ASN 108 2HD2 ASN 108 15.258 -16.886 -9.090 807 H ALA 109 H ALA 109 11.361 -12.312 -6.221 808 HA ALA 109 HA ALA 109 10.386 -10.337 -6.972 809 1HB ALA 109 1HB ALA 109 12.870 -9.645 -6.777 810 2HB ALA 109 2HB ALA 109 11.820 -8.638 -7.773 811 3HB ALA 109 3HB ALA 109 12.911 -9.796 -8.533 812 H ASP 110 H ASP 110 9.176 -12.104 -8.267 813 HA ASP 110 HA ASP 110 9.532 -11.594 -11.197 814 1HB ASP 110 1HB ASP 110 8.159 -13.846 -11.295 815 2HB ASP 110 2HB ASP 110 8.788 -14.063 -9.662 816 H GLY 111 H GLY 111 7.160 -11.976 -8.561 817 1HA GLY 111 1HA GLY 111 4.998 -11.072 -10.395 818 2HA GLY 111 2HA GLY 111 5.345 -10.097 -8.970 819 H PHE 112 H PHE 112 5.725 -13.560 -8.708 820 HA PHE 112 HA PHE 112 3.327 -13.627 -6.938 821 1HB PHE 112 1HB PHE 112 2.553 -15.700 -7.861 822 2HB PHE 112 2HB PHE 112 4.006 -15.885 -8.839 823 HD1 PHE 112 HD1 PHE 112 0.925 -13.841 -8.393 824 HD2 PHE 112 HD2 PHE 112 4.197 -14.854 -10.984 825 HE1 PHE 112 HE1 PHE 112 -0.171 -12.622 -10.253 826 HE2 PHE 112 HE2 PHE 112 3.102 -13.634 -12.844 827 HZ PHE 112 HZ PHE 112 0.918 -12.518 -12.479 828 H ILE 113 H ILE 113 3.425 -15.467 -5.393 829 HA ILE 113 HA ILE 113 6.249 -16.046 -4.642 830 HB ILE 113 HB ILE 113 3.639 -16.155 -3.102 831 1HG1 ILE 113 1HG1 ILE 113 6.136 -14.458 -3.028 832 2HG1 ILE 113 2HG1 ILE 113 5.088 -14.594 -1.619 833 1HG2 ILE 113 1HG2 ILE 113 4.875 -18.058 -2.324 834 2HG2 ILE 113 2HG2 ILE 113 5.144 -16.777 -1.143 835 3HG2 ILE 113 3HG2 ILE 113 6.392 -17.157 -2.331 836 1HD1 ILE 113 1HD1 ILE 113 4.544 -13.326 -4.268 837 2HD1 ILE 113 2HD1 ILE 113 4.121 -12.768 -2.650 838 3HD1 ILE 113 3HD1 ILE 113 3.194 -14.064 -3.406 839 H ASP 114 H ASP 114 7.015 -17.992 -5.305 840 HA ASP 114 HA ASP 114 5.135 -20.157 -6.008 841 1HB ASP 114 1HB ASP 114 7.059 -21.295 -6.932 842 2HB ASP 114 2HB ASP 114 8.165 -20.201 -6.106 843 H ILE 115 H ILE 115 5.479 -22.366 -5.127 844 HA ILE 115 HA ILE 115 5.576 -22.388 -2.271 845 HB ILE 115 HB ILE 115 4.505 -24.055 -3.990 846 1HG1 ILE 115 1HG1 ILE 115 4.171 -25.575 -2.249 847 2HG1 ILE 115 2HG1 ILE 115 4.579 -24.093 -1.395 848 1HG2 ILE 115 1HG2 ILE 115 6.619 -24.696 -5.083 849 2HG2 ILE 115 2HG2 ILE 115 5.822 -26.092 -4.359 850 3HG2 ILE 115 3HG2 ILE 115 7.208 -25.355 -3.557 851 1HD1 ILE 115 1HD1 ILE 115 6.268 -25.178 -0.379 852 2HD1 ILE 115 2HD1 ILE 115 7.035 -25.415 -1.948 853 3HD1 ILE 115 3HD1 ILE 115 5.928 -26.633 -1.316 854 H GLU 116 H GLU 116 8.052 -22.915 -4.726 855 HA GLU 116 HA GLU 116 10.028 -24.044 -2.947 856 1HB GLU 116 1HB GLU 116 10.299 -24.314 -5.350 857 2HB GLU 116 2HB GLU 116 11.661 -23.383 -4.734 858 1HG GLU 116 1HG GLU 116 10.448 -21.285 -5.408 859 2HG GLU 116 2HG GLU 116 9.208 -22.292 -6.152 860 H GLU 117 H GLU 117 9.245 -20.725 -3.970 861 HA GLU 117 HA GLU 117 11.431 -19.449 -2.606 862 1HB GLU 117 1HB GLU 117 9.427 -17.558 -2.628 863 2HB GLU 117 2HB GLU 117 8.935 -18.618 -3.947 864 1HG GLU 117 1HG GLU 117 11.719 -17.447 -3.654 865 2HG GLU 117 2HG GLU 117 10.458 -16.755 -4.673 866 H LEU 118 H LEU 118 8.005 -19.975 -1.671 867 HA LEU 118 HA LEU 118 8.338 -18.836 0.967 868 1HB LEU 118 1HB LEU 118 6.215 -20.839 0.186 869 2HB LEU 118 2HB LEU 118 6.146 -19.151 -0.325 870 HG LEU 118 HG LEU 118 6.615 -19.796 2.574 871 1HD1 LEU 118 1HD1 LEU 118 6.719 -17.463 1.490 872 2HD1 LEU 118 2HD1 LEU 118 5.699 -17.630 2.919 873 3HD1 LEU 118 3HD1 LEU 118 4.969 -17.595 1.313 874 1HD2 LEU 118 1HD2 LEU 118 4.660 -21.155 1.934 875 2HD2 LEU 118 2HD2 LEU 118 3.912 -19.744 1.186 876 3HD2 LEU 118 3HD2 LEU 118 4.160 -19.790 2.932 877 H GLY 119 H GLY 119 8.242 -22.213 -0.208 878 1HA GLY 119 1HA GLY 119 9.103 -24.171 0.754 879 2HA GLY 119 2HA GLY 119 8.406 -23.559 2.250 880 H GLU 120 H GLU 120 11.106 -22.256 0.283 881 HA GLU 120 HA GLU 120 13.156 -23.152 2.105 882 1HB GLU 120 1HB GLU 120 14.508 -21.285 0.941 883 2HB GLU 120 2HB GLU 120 13.087 -21.083 -0.087 884 1HG GLU 120 1HG GLU 120 13.219 -23.600 -0.522 885 2HG GLU 120 2HG GLU 120 14.802 -23.558 0.253 886 H ILE 121 H ILE 121 11.270 -20.136 1.840 887 HA ILE 121 HA ILE 121 12.747 -18.648 3.801 888 HB ILE 121 HB ILE 121 9.830 -18.487 2.968 889 1HG1 ILE 121 1HG1 ILE 121 11.785 -17.950 1.336 890 2HG1 ILE 121 2HG1 ILE 121 12.042 -16.529 2.346 891 1HG2 ILE 121 1HG2 ILE 121 11.490 -16.678 4.748 892 2HG2 ILE 121 2HG2 ILE 121 9.999 -17.521 5.174 893 3HG2 ILE 121 3HG2 ILE 121 9.959 -16.189 4.019 894 1HD1 ILE 121 1HD1 ILE 121 9.288 -16.546 1.931 895 2HD1 ILE 121 2HD1 ILE 121 9.944 -17.052 0.375 896 3HD1 ILE 121 3HD1 ILE 121 10.452 -15.523 1.089 897 H LEU 122 H LEU 122 9.894 -20.788 4.070 898 HA LEU 122 HA LEU 122 9.605 -20.465 6.927 899 1HB LEU 122 1HB LEU 122 8.256 -22.628 6.695 900 2HB LEU 122 2HB LEU 122 8.633 -22.564 4.973 901 HG LEU 122 HG LEU 122 7.729 -20.121 5.105 902 1HD1 LEU 122 1HD1 LEU 122 6.640 -22.374 4.203 903 2HD1 LEU 122 2HD1 LEU 122 5.695 -20.890 4.311 904 3HD1 LEU 122 3HD1 LEU 122 5.550 -22.120 5.566 905 1HD2 LEU 122 1HD2 LEU 122 7.539 -19.819 7.466 906 2HD2 LEU 122 2HD2 LEU 122 6.704 -21.358 7.670 907 3HD2 LEU 122 3HD2 LEU 122 5.884 -20.007 6.888 908 NH1 ARG 123 NH1 ARG 123 13.068 -29.539 8.172 909 NH2 ARG 123 NH2 ARG 123 12.652 -27.647 9.350 910 H ARG 123 H ARG 123 11.193 -22.960 4.912 911 HA ARG 123 HA ARG 123 12.076 -24.550 7.161 912 1HB ARG 123 1HB ARG 123 13.821 -25.242 5.211 913 2HB ARG 123 2HB ARG 123 12.561 -24.495 4.231 914 1HG ARG 123 1HG ARG 123 11.637 -26.590 4.346 915 2HG ARG 123 2HG ARG 123 11.029 -25.997 5.892 916 1HD ARG 123 1HD ARG 123 13.650 -26.897 6.406 917 2HD ARG 123 2HD ARG 123 12.928 -28.126 5.369 918 HE ARG 123 HE ARG 123 10.954 -27.788 7.196 919 1HH1 ARG 123 1HH1 ARG 123 13.122 -28.034 10.143 920 2HH1 ARG 123 2HH1 ARG 123 12.257 -26.730 9.404 921 1HH2 ARG 123 1HH2 ARG 123 12.991 -30.068 7.325 922 2HH2 ARG 123 2HH2 ARG 123 13.541 -29.930 8.962 923 H ALA 124 H ALA 124 13.495 -21.827 5.390 924 HA ALA 124 HA ALA 124 16.185 -22.020 6.212 925 1HB ALA 124 1HB ALA 124 15.628 -20.357 4.606 926 2HB ALA 124 2HB ALA 124 16.150 -19.469 6.038 927 3HB ALA 124 3HB ALA 124 14.431 -19.620 5.671 928 H THR 125 H THR 125 13.389 -21.103 8.152 929 HA THR 125 HA THR 125 14.775 -19.671 10.210 930 HB THR 125 HB THR 125 12.824 -20.194 11.632 931 HG1 THR 125 HG1 THR 125 11.684 -21.897 11.242 932 1HG2 THR 125 1HG2 THR 125 11.789 -19.700 8.845 933 2HG2 THR 125 2HG2 THR 125 12.778 -18.500 9.677 934 3HG2 THR 125 3HG2 THR 125 11.234 -19.000 10.364 935 H GLY 126 H GLY 126 14.010 -23.151 9.881 936 1HA GLY 126 1HA GLY 126 16.399 -23.929 11.302 937 2HA GLY 126 2HA GLY 126 15.093 -25.010 10.821 938 H GLU 127 H GLU 127 13.123 -23.218 12.333 939 HA GLU 127 HA GLU 127 13.962 -23.515 15.133 940 1HB GLU 127 1HB GLU 127 11.338 -22.851 15.297 941 2HB GLU 127 2HB GLU 127 11.699 -22.254 13.678 942 1HG GLU 127 1HG GLU 127 12.379 -20.400 14.843 943 2HG GLU 127 2HG GLU 127 13.872 -21.325 14.996 944 H HIS 128 H HIS 128 10.829 -24.499 13.709 945 HA HIS 128 HA HIS 128 11.214 -27.318 14.131 946 1HB HIS 128 1HB HIS 128 11.135 -26.958 16.476 947 2HB HIS 128 2HB HIS 128 9.504 -27.470 16.058 948 HD1 HIS 128 HD1 HIS 128 7.610 -25.721 16.238 949 HD2 HIS 128 HD2 HIS 128 11.367 -24.187 17.194 950 HE1 HIS 128 HE1 HIS 128 7.212 -23.452 17.292 951 H VAL 129 H VAL 129 10.239 -26.052 11.942 952 HA VAL 129 HA VAL 129 7.298 -25.969 12.045 953 HB VAL 129 HB VAL 129 8.442 -24.352 10.618 954 1HG1 VAL 129 1HG1 VAL 129 9.593 -25.185 8.531 955 2HG1 VAL 129 2HG1 VAL 129 9.525 -26.808 9.217 956 3HG1 VAL 129 3HG1 VAL 129 10.455 -25.548 10.025 957 1HG2 VAL 129 1HG2 VAL 129 7.096 -24.592 8.672 958 2HG2 VAL 129 2HG2 VAL 129 6.199 -25.393 9.961 959 3HG2 VAL 129 3HG2 VAL 129 7.108 -26.351 8.792 960 H ILE 130 H ILE 130 5.951 -27.339 10.772 961 HA ILE 130 HA ILE 130 7.113 -30.055 10.323 962 HB ILE 130 HB ILE 130 4.468 -30.538 10.265 963 1HG1 ILE 130 1HG1 ILE 130 4.131 -27.996 10.714 964 2HG1 ILE 130 2HG1 ILE 130 4.612 -28.378 12.366 965 1HG2 ILE 130 1HG2 ILE 130 4.661 -31.191 12.630 966 2HG2 ILE 130 2HG2 ILE 130 6.090 -30.172 12.803 967 3HG2 ILE 130 3HG2 ILE 130 6.140 -31.590 11.754 968 1HD1 ILE 130 1HD1 ILE 130 2.253 -29.471 10.815 969 2HD1 ILE 130 2HD1 ILE 130 2.225 -28.547 12.316 970 3HD1 ILE 130 3HD1 ILE 130 2.824 -30.206 12.314 971 H GLU 131 H GLU 131 6.763 -31.090 8.325 972 HA GLU 131 HA GLU 131 6.330 -29.395 6.032 973 1HB GLU 131 1HB GLU 131 6.454 -31.475 4.736 974 2HB GLU 131 2HB GLU 131 6.277 -32.427 6.204 975 1HG GLU 131 1HG GLU 131 8.649 -32.271 5.499 976 2HG GLU 131 2HG GLU 131 8.392 -31.508 7.066 977 H GLU 132 H GLU 132 4.254 -31.488 7.968 978 HA GLU 132 HA GLU 132 2.023 -31.647 6.192 979 1HB GLU 132 1HB GLU 132 0.741 -31.695 8.509 980 2HB GLU 132 2HB GLU 132 2.370 -31.814 9.173 981 1HG GLU 132 1HG GLU 132 2.651 -33.693 7.338 982 2HG GLU 132 2HG GLU 132 0.890 -33.745 7.410 983 H ASP 133 H ASP 133 3.125 -29.122 8.435 984 HA ASP 133 HA ASP 133 0.730 -27.476 8.063 985 1HB ASP 133 1HB ASP 133 3.450 -26.713 9.180 986 2HB ASP 133 2HB ASP 133 2.125 -27.377 10.134 987 H ILE 134 H ILE 134 4.050 -27.546 6.769 988 HA ILE 134 HA ILE 134 3.859 -25.128 5.227 989 HB ILE 134 HB ILE 134 5.564 -27.599 4.744 990 1HG1 ILE 134 1HG1 ILE 134 7.319 -26.329 5.933 991 2HG1 ILE 134 2HG1 ILE 134 5.921 -26.581 6.973 992 1HG2 ILE 134 1HG2 ILE 134 7.055 -25.855 3.602 993 2HG2 ILE 134 2HG2 ILE 134 5.648 -24.791 3.622 994 3HG2 ILE 134 3HG2 ILE 134 5.589 -26.315 2.736 995 1HD1 ILE 134 1HD1 ILE 134 7.138 -24.125 6.357 996 2HD1 ILE 134 2HD1 ILE 134 5.600 -24.360 7.189 997 3HD1 ILE 134 3HD1 ILE 134 5.633 -24.132 5.440 998 H GLU 135 H GLU 135 3.437 -28.564 4.281 999 HA GLU 135 HA GLU 135 2.613 -28.019 1.584 1000 1HB GLU 135 1HB GLU 135 1.515 -30.399 3.025 1001 2HB GLU 135 2HB GLU 135 3.266 -30.282 2.853 1002 1HG GLU 135 1HG GLU 135 3.013 -30.027 0.414 1003 2HG GLU 135 2HG GLU 135 1.260 -30.112 0.580 1004 H ASP 136 H ASP 136 0.779 -28.357 4.620 1005 HA ASP 136 HA ASP 136 -1.846 -28.332 3.527 1006 1HB ASP 136 1HB ASP 136 -0.866 -27.202 6.170 1007 2HB ASP 136 2HB ASP 136 -1.408 -28.855 5.891 1008 H LEU 137 H LEU 137 0.225 -25.611 4.591 1009 HA LEU 137 HA LEU 137 -1.544 -23.473 4.196 1010 1HB LEU 137 1HB LEU 137 1.353 -23.334 3.360 1011 2HB LEU 137 2HB LEU 137 0.892 -23.468 5.057 1012 HG LEU 137 HG LEU 137 -0.319 -21.358 3.272 1013 1HD1 LEU 137 1HD1 LEU 137 -1.264 -21.949 5.568 1014 2HD1 LEU 137 2HD1 LEU 137 -0.816 -20.257 5.344 1015 3HD1 LEU 137 3HD1 LEU 137 0.244 -21.337 6.249 1016 1HD2 LEU 137 1HD2 LEU 137 1.426 -19.811 4.022 1017 2HD2 LEU 137 2HD2 LEU 137 2.159 -21.167 3.167 1018 3HD2 LEU 137 3HD2 LEU 137 2.211 -21.105 4.929 1019 H MET 138 H MET 138 0.559 -25.029 1.754 1020 HA MET 138 HA MET 138 -0.248 -23.316 -0.406 1021 1HB MET 138 1HB MET 138 0.658 -26.157 -0.827 1022 2HB MET 138 2HB MET 138 1.785 -24.944 -0.221 1023 1HG MET 138 1HG MET 138 0.104 -24.341 -2.640 1024 2HG MET 138 2HG MET 138 1.562 -25.318 -2.810 1025 1HE MET 138 1HE MET 138 1.187 -20.982 -2.930 1026 2HE MET 138 2HE MET 138 0.243 -21.637 -1.596 1027 3HE MET 138 3HE MET 138 0.060 -22.315 -3.212 1028 H LYS 139 H LYS 139 -1.329 -26.638 0.487 1029 HA LYS 139 HA LYS 139 -3.335 -26.712 -1.596 1030 1HB LYS 139 1HB LYS 139 -2.360 -28.765 -0.612 1031 2HB LYS 139 2HB LYS 139 -4.119 -28.763 -0.541 1032 1HG LYS 139 1HG LYS 139 -3.800 -27.761 1.841 1033 2HG LYS 139 2HG LYS 139 -2.143 -28.355 1.698 1034 1HD LYS 139 1HD LYS 139 -2.797 -30.488 2.050 1035 2HD LYS 139 2HD LYS 139 -4.072 -30.363 0.839 1036 1HE LYS 139 1HE LYS 139 -5.327 -28.978 2.665 1037 2HE LYS 139 2HE LYS 139 -4.188 -29.728 3.780 1038 1HZ LYS 139 1HZ LYS 139 -4.881 -31.903 2.931 1039 2HZ LYS 139 2HZ LYS 139 -6.028 -31.147 1.930 1040 3HZ LYS 139 3HZ LYS 139 -6.176 -31.051 3.620 1041 H ASP 140 H ASP 140 -3.312 -24.841 1.182 1042 HA ASP 140 HA ASP 140 -6.283 -24.967 1.478 1043 1HB ASP 140 1HB ASP 140 -5.590 -23.430 3.543 1044 2HB ASP 140 2HB ASP 140 -4.040 -24.236 3.321 1045 H SER 141 H SER 141 -3.587 -22.837 0.637 1046 HA SER 141 HA SER 141 -5.337 -20.466 0.578 1047 1HB SER 141 1HB SER 141 -2.586 -20.405 -0.577 1048 2HB SER 141 2HB SER 141 -2.741 -20.661 1.159 1049 HG SER 141 HG SER 141 -2.662 -18.403 0.358 1050 H ASP 142 H ASP 142 -4.409 -22.931 -1.695 1051 HA ASP 142 HA ASP 142 -4.626 -21.247 -4.043 1052 1HB ASP 142 1HB ASP 142 -3.307 -23.381 -3.957 1053 2HB ASP 142 2HB ASP 142 -4.430 -23.290 -5.297 1054 H LYS 143 H LYS 143 -6.593 -20.193 -4.077 1055 HA LYS 143 HA LYS 143 -9.106 -21.509 -3.486 1056 1HB LYS 143 1HB LYS 143 -10.109 -19.420 -3.965 1057 2HB LYS 143 2HB LYS 143 -8.812 -18.952 -5.066 1058 1HG LYS 143 1HG LYS 143 -8.526 -17.744 -2.977 1059 2HG LYS 143 2HG LYS 143 -7.242 -18.926 -3.100 1060 1HD LYS 143 1HD LYS 143 -8.419 -20.443 -1.619 1061 2HD LYS 143 2HD LYS 143 -9.830 -19.385 -1.590 1062 1HE LYS 143 1HE LYS 143 -8.748 -17.774 -0.276 1063 2HE LYS 143 2HE LYS 143 -7.141 -18.330 -0.744 1064 1HZ LYS 143 1HZ LYS 143 -7.728 -18.978 1.526 1065 2HZ LYS 143 2HZ LYS 143 -7.471 -20.332 0.532 1066 3HZ LYS 143 3HZ LYS 143 -9.052 -19.860 0.938 1067 H ASN 144 H ASN 144 -7.331 -20.750 -6.472 1068 HA ASN 144 HA ASN 144 -9.440 -22.219 -8.005 1069 1HB ASN 144 1HB ASN 144 -8.415 -21.014 -10.001 1070 2HB ASN 144 2HB ASN 144 -7.494 -20.058 -8.844 1071 1HD2 ASN 144 1HD2 ASN 144 -8.767 -18.169 -9.741 1072 2HD2 ASN 144 2HD2 ASN 144 -10.333 -17.891 -9.153 1073 H ASN 145 H ASN 145 -6.881 -23.161 -6.493 1074 HA ASN 145 HA ASN 145 -5.207 -24.747 -6.802 1075 1HB ASN 145 1HB ASN 145 -6.437 -25.628 -9.384 1076 2HB ASN 145 2HB ASN 145 -7.389 -25.798 -7.909 1077 1HD2 ASN 145 1HD2 ASN 145 -7.141 -27.884 -7.091 1078 2HD2 ASN 145 2HD2 ASN 145 -5.687 -28.761 -7.078 1079 H ASP 146 H ASP 146 -3.774 -22.859 -7.275 1080 HA ASP 146 HA ASP 146 -2.888 -22.837 -10.133 1081 1HB ASP 146 1HB ASP 146 -1.892 -20.577 -9.515 1082 2HB ASP 146 2HB ASP 146 -2.787 -20.688 -7.999 1083 H GLY 147 H GLY 147 -1.837 -22.963 -6.738 1084 1HA GLY 147 1HA GLY 147 0.749 -24.109 -7.670 1085 2HA GLY 147 2HA GLY 147 0.051 -24.340 -6.067 1086 NH1 ARG 148 NH1 ARG 148 3.683 -23.249 -11.441 1087 NH2 ARG 148 NH2 ARG 148 2.682 -21.477 -12.442 1088 H ARG 148 H ARG 148 0.157 -21.182 -7.635 1089 HA ARG 148 HA ARG 148 2.377 -20.368 -5.813 1090 1HB ARG 148 1HB ARG 148 2.453 -18.362 -7.410 1091 2HB ARG 148 2HB ARG 148 1.371 -19.284 -8.447 1092 1HG ARG 148 1HG ARG 148 3.870 -20.581 -7.412 1093 2HG ARG 148 2HG ARG 148 3.978 -19.460 -8.766 1094 1HD ARG 148 1HD ARG 148 1.811 -21.056 -9.441 1095 2HD ARG 148 2HD ARG 148 2.933 -22.193 -8.697 1096 HE ARG 148 HE ARG 148 4.469 -20.654 -10.479 1097 1HH1 ARG 148 1HH1 ARG 148 2.429 -22.056 -13.219 1098 2HH1 ARG 148 2HH1 ARG 148 2.425 -20.510 -12.437 1099 1HH2 ARG 148 1HH2 ARG 148 4.193 -23.634 -10.672 1100 2HH2 ARG 148 2HH2 ARG 148 3.433 -23.831 -12.216 1101 H ILE 149 H ILE 149 2.180 -17.991 -5.141 1102 HA ILE 149 HA ILE 149 -0.656 -17.404 -4.368 1103 HB ILE 149 HB ILE 149 1.910 -16.656 -2.918 1104 1HG1 ILE 149 1HG1 ILE 149 0.836 -19.106 -2.907 1105 2HG1 ILE 149 2HG1 ILE 149 -0.252 -18.359 -1.738 1106 1HG2 ILE 149 1HG2 ILE 149 0.514 -15.644 -1.252 1107 2HG2 ILE 149 2HG2 ILE 149 -0.951 -16.289 -1.990 1108 3HG2 ILE 149 3HG2 ILE 149 -0.045 -15.013 -2.801 1109 1HD1 ILE 149 1HD1 ILE 149 2.760 -18.608 -1.584 1110 2HD1 ILE 149 2HD1 ILE 149 1.561 -19.250 -0.461 1111 3HD1 ILE 149 3HD1 ILE 149 1.850 -17.511 -0.546 1112 H ASP 150 H ASP 150 -1.465 -15.568 -5.245 1113 HA ASP 150 HA ASP 150 0.458 -13.650 -6.488 1114 1HB ASP 150 1HB ASP 150 -0.981 -14.257 -8.205 1115 2HB ASP 150 2HB ASP 150 -1.780 -12.816 -7.589 1116 H PHE 151 H PHE 151 -0.414 -11.325 -6.506 1117 HA PHE 151 HA PHE 151 -0.644 -10.405 -3.802 1118 1HB PHE 151 1HB PHE 151 -1.278 -8.921 -6.374 1119 2HB PHE 151 2HB PHE 151 0.316 -9.032 -5.626 1120 HD1 PHE 151 HD1 PHE 151 -2.862 -7.329 -5.646 1121 HD2 PHE 151 HD2 PHE 151 0.618 -8.122 -3.255 1122 HE1 PHE 151 HE1 PHE 151 -3.436 -5.417 -4.178 1123 HE2 PHE 151 HE2 PHE 151 0.043 -6.208 -1.787 1124 HZ PHE 151 HZ PHE 151 -1.985 -4.857 -2.252 1125 H ASP 152 H ASP 152 -3.050 -11.242 -6.226 1126 HA ASP 152 HA ASP 152 -5.312 -9.890 -5.125 1127 1HB ASP 152 1HB ASP 152 -6.646 -11.722 -6.245 1128 2HB ASP 152 2HB ASP 152 -5.121 -12.516 -6.632 1129 H GLU 153 H GLU 153 -4.351 -13.323 -4.669 1130 HA GLU 153 HA GLU 153 -6.167 -13.735 -2.457 1131 1HB GLU 153 1HB GLU 153 -4.347 -15.703 -2.102 1132 2HB GLU 153 2HB GLU 153 -3.970 -15.264 -3.768 1133 1HG GLU 153 1HG GLU 153 -6.778 -15.322 -3.648 1134 2HG GLU 153 2HG GLU 153 -6.256 -16.730 -2.724 1135 H PHE 154 H PHE 154 -2.877 -12.526 -2.715 1136 HA PHE 154 HA PHE 154 -1.942 -12.911 -0.077 1137 1HB PHE 154 1HB PHE 154 -1.458 -10.438 -1.760 1138 2HB PHE 154 2HB PHE 154 -0.626 -11.972 -2.019 1139 HD1 PHE 154 HD1 PHE 154 -0.678 -8.912 -0.131 1140 HD2 PHE 154 HD2 PHE 154 0.628 -13.002 -0.019 1141 HE1 PHE 154 HE1 PHE 154 0.934 -8.353 1.667 1142 HE2 PHE 154 HE2 PHE 154 2.236 -12.441 1.777 1143 HZ PHE 154 HZ PHE 154 2.390 -10.116 2.622 1144 H LEU 155 H LEU 155 -4.244 -10.523 -1.324 1145 HA LEU 155 HA LEU 155 -4.254 -8.682 0.828 1146 1HB LEU 155 1HB LEU 155 -6.602 -8.203 0.176 1147 2HB LEU 155 2HB LEU 155 -6.603 -9.644 -0.837 1148 HG LEU 155 HG LEU 155 -4.598 -8.641 -2.049 1149 1HD1 LEU 155 1HD1 LEU 155 -5.993 -7.242 -3.462 1150 2HD1 LEU 155 2HD1 LEU 155 -7.160 -7.024 -2.158 1151 3HD1 LEU 155 3HD1 LEU 155 -6.958 -8.609 -2.903 1152 1HD2 LEU 155 1HD2 LEU 155 -3.784 -6.970 -0.603 1153 2HD2 LEU 155 2HD2 LEU 155 -5.398 -6.350 -0.259 1154 3HD2 LEU 155 3HD2 LEU 155 -4.649 -6.040 -1.825 1155 H LYS 156 H LYS 156 -6.473 -11.473 0.381 1156 HA LYS 156 HA LYS 156 -7.456 -11.343 3.105 1157 1HB LYS 156 1HB LYS 156 -8.327 -13.684 2.542 1158 2HB LYS 156 2HB LYS 156 -7.609 -13.457 0.947 1159 1HG LYS 156 1HG LYS 156 -8.940 -11.327 0.735 1160 2HG LYS 156 2HG LYS 156 -9.743 -11.737 2.251 1161 1HD LYS 156 1HD LYS 156 -11.196 -12.560 0.561 1162 2HD LYS 156 2HD LYS 156 -10.323 -13.984 1.127 1163 1HE LYS 156 1HE LYS 156 -8.890 -13.985 -0.775 1164 2HE LYS 156 2HE LYS 156 -9.359 -12.346 -1.225 1165 1HZ LYS 156 1HZ LYS 156 -11.552 -13.114 -1.758 1166 2HZ LYS 156 2HZ LYS 156 -11.193 -14.682 -1.211 1167 3HZ LYS 156 3HZ LYS 156 -10.426 -14.065 -2.596 1168 H MET 157 H MET 157 -4.733 -12.911 1.556 1169 HA MET 157 HA MET 157 -4.177 -14.899 3.545 1170 1HB MET 157 1HB MET 157 -1.760 -13.834 2.366 1171 2HB MET 157 2HB MET 157 -3.007 -14.003 1.132 1172 1HG MET 157 1HG MET 157 -3.118 -16.297 1.365 1173 2HG MET 157 2HG MET 157 -2.652 -16.253 3.065 1174 1HE MET 157 1HE MET 157 -0.780 -15.986 4.011 1175 2HE MET 157 2HE MET 157 0.492 -14.998 3.299 1176 3HE MET 157 3HE MET 157 0.718 -16.738 3.445 1177 H MET 158 H MET 158 -3.250 -11.476 3.257 1178 HA MET 158 HA MET 158 -1.993 -11.658 5.962 1179 1HB MET 158 1HB MET 158 -1.475 -9.187 4.497 1180 2HB MET 158 2HB MET 158 -0.974 -10.605 3.578 1181 1HG MET 158 1HG MET 158 0.929 -10.292 4.851 1182 2HG MET 158 2HG MET 158 0.020 -11.328 5.952 1183 1HE MET 158 1HE MET 158 1.920 -8.405 5.358 1184 2HE MET 158 2HE MET 158 1.443 -7.120 6.465 1185 3HE MET 158 3HE MET 158 0.497 -7.414 5.009 1186 H GLU 159 H GLU 159 -4.884 -11.411 5.469 1187 HA GLU 159 HA GLU 159 -5.697 -8.660 5.837 1188 1HB GLU 159 1HB GLU 159 -7.465 -10.805 6.878 1189 2HB GLU 159 2HB GLU 159 -7.028 -10.936 5.175 1190 1HG GLU 159 1HG GLU 159 -7.922 -8.281 6.264 1191 2HG GLU 159 2HG GLU 159 -9.131 -9.509 5.888 1192 H GLY 160 H GLY 160 -4.842 -11.293 8.044 1193 1HA GLY 160 1HA GLY 160 -5.753 -9.846 10.421 1194 2HA GLY 160 2HA GLY 160 -4.005 -9.803 10.198 1195 H VAL 161 H VAL 161 -3.018 -11.357 11.390 1196 HA VAL 161 HA VAL 161 -4.243 -14.073 11.471 1197 HB VAL 161 HB VAL 161 -1.913 -13.858 10.599 1198 1HG1 VAL 161 1HG1 VAL 161 -0.263 -12.775 11.707 1199 2HG1 VAL 161 2HG1 VAL 161 -0.713 -13.490 13.255 1200 3HG1 VAL 161 3HG1 VAL 161 -1.558 -12.058 12.665 1201 1HG2 VAL 161 1HG2 VAL 161 -2.012 -16.004 11.326 1202 2HG2 VAL 161 2HG2 VAL 161 -2.768 -15.548 12.852 1203 3HG2 VAL 161 3HG2 VAL 161 -1.016 -15.441 12.668 1204 H GLN 162 H GLN 162 -5.711 -12.701 13.084 1205 HA GLN 162 HA GLN 162 -4.554 -12.458 15.783 1206 1HB GLN 162 1HB GLN 162 -7.491 -12.217 15.172 1207 2HB GLN 162 2HB GLN 162 -6.381 -10.941 14.669 1208 1HG GLN 162 1HG GLN 162 -5.856 -10.353 16.854 1209 2HG GLN 162 2HG GLN 162 -6.219 -11.960 17.486 1210 1HE2 GLN 162 1HE2 GLN 162 -8.533 -12.515 17.793 1211 2HE2 GLN 162 2HE2 GLN 162 -9.703 -11.289 17.899 Start of MODEL 8 Raw file had 1211 H/Q atoms Start of MODEL 8 1 1H ALA 1 1H ALA 1 -21.220 36.481 -4.183 2 2H ALA 1 2H ALA 1 -20.491 34.955 -4.347 3 3H ALA 1 3H ALA 1 -19.821 36.112 -3.299 4 HA ALA 1 HA ALA 1 -21.831 36.022 -1.919 5 1HB ALA 1 1HB ALA 1 -22.545 33.886 -3.943 6 2HB ALA 1 2HB ALA 1 -23.474 35.324 -3.518 7 3HB ALA 1 3HB ALA 1 -23.320 34.000 -2.363 8 H SER 2 H SER 2 -20.571 32.956 -3.330 9 HA SER 2 HA SER 2 -18.927 32.511 -0.930 10 1HB SER 2 1HB SER 2 -20.965 30.394 -1.636 11 2HB SER 2 2HB SER 2 -21.322 31.653 -0.456 12 HG SER 2 HG SER 2 -19.448 29.582 -0.328 13 H MET 3 H MET 3 -17.037 31.823 -1.777 14 HA MET 3 HA MET 3 -17.122 29.908 -4.074 15 1HB MET 3 1HB MET 3 -16.427 32.137 -4.869 16 2HB MET 3 2HB MET 3 -15.093 30.990 -4.976 17 1HG MET 3 1HG MET 3 -13.913 32.592 -3.872 18 2HG MET 3 2HG MET 3 -14.753 31.994 -2.441 19 1HE MET 3 1HE MET 3 -14.845 33.501 -1.056 20 2HE MET 3 2HE MET 3 -16.580 33.807 -1.008 21 3HE MET 3 3HE MET 3 -15.456 35.159 -1.115 22 H THR 4 H THR 4 -16.703 29.705 -1.000 23 HA THR 4 HA THR 4 -14.133 28.173 -1.145 24 HB THR 4 HB THR 4 -13.955 28.633 1.340 25 HG1 THR 4 HG1 THR 4 -15.815 30.697 0.803 26 1HG2 THR 4 1HG2 THR 4 -13.983 31.206 -0.231 27 2HG2 THR 4 2HG2 THR 4 -12.807 29.936 -0.576 28 3HG2 THR 4 3HG2 THR 4 -12.849 30.691 1.018 29 H ASP 5 H ASP 5 -15.207 26.246 -1.669 30 HA ASP 5 HA ASP 5 -17.024 25.154 0.447 31 1HB ASP 5 1HB ASP 5 -17.769 23.556 -1.347 32 2HB ASP 5 2HB ASP 5 -16.766 24.444 -2.496 33 H GLN 6 H GLN 6 -14.469 24.223 -1.877 34 HA GLN 6 HA GLN 6 -13.829 21.743 -0.523 35 1HB GLN 6 1HB GLN 6 -11.788 21.797 -1.967 36 2HB GLN 6 2HB GLN 6 -12.223 23.423 -2.482 37 1HG GLN 6 1HG GLN 6 -14.541 21.829 -2.839 38 2HG GLN 6 2HG GLN 6 -13.190 20.891 -3.479 39 1HE2 GLN 6 1HE2 GLN 6 -11.728 22.122 -5.074 40 2HE2 GLN 6 2HE2 GLN 6 -12.448 23.298 -6.064 41 H GLN 7 H GLN 7 -12.407 25.019 -0.523 42 HA GLN 7 HA GLN 7 -10.303 24.353 1.349 43 1HB GLN 7 1HB GLN 7 -10.381 26.977 1.635 44 2HB GLN 7 2HB GLN 7 -11.452 26.894 0.236 45 1HG GLN 7 1HG GLN 7 -9.449 25.235 -0.575 46 2HG GLN 7 2HG GLN 7 -8.540 26.362 0.432 47 1HE2 GLN 7 1HE2 GLN 7 -10.747 26.208 -2.392 48 2HE2 GLN 7 2HE2 GLN 7 -10.271 27.701 -3.044 49 H ALA 8 H ALA 8 -13.599 25.656 1.677 50 HA ALA 8 HA ALA 8 -13.377 26.251 4.496 51 1HB ALA 8 1HB ALA 8 -15.858 26.355 4.429 52 2HB ALA 8 2HB ALA 8 -15.824 25.696 2.793 53 3HB ALA 8 3HB ALA 8 -15.116 27.279 3.122 54 H GLU 9 H GLU 9 -13.507 23.218 2.900 55 HA GLU 9 HA GLU 9 -14.568 21.955 5.394 56 1HB GLU 9 1HB GLU 9 -15.959 21.463 3.400 57 2HB GLU 9 2HB GLU 9 -15.218 20.009 4.061 58 1HG GLU 9 1HG GLU 9 -13.465 21.214 2.099 59 2HG GLU 9 2HG GLU 9 -15.058 20.943 1.405 60 H ALA 10 H ALA 10 -11.992 21.836 2.952 61 HA ALA 10 HA ALA 10 -10.590 19.615 4.178 62 1HB ALA 10 1HB ALA 10 -10.027 20.053 1.906 63 2HB ALA 10 2HB ALA 10 -8.623 20.598 2.826 64 3HB ALA 10 3HB ALA 10 -9.787 21.774 2.215 65 NH1 ARG 11 NH1 ARG 11 -9.132 30.175 7.808 66 NH2 ARG 11 NH2 ARG 11 -7.390 29.146 6.780 67 H ARG 11 H ARG 11 -10.744 23.082 4.708 68 HA ARG 11 HA ARG 11 -8.335 23.308 6.292 69 1HB ARG 11 1HB ARG 11 -10.795 24.995 5.870 70 2HB ARG 11 2HB ARG 11 -9.122 25.358 5.454 71 1HG ARG 11 1HG ARG 11 -8.591 25.517 7.884 72 2HG ARG 11 2HG ARG 11 -10.297 25.242 8.241 73 1HD ARG 11 1HD ARG 11 -10.856 27.377 7.727 74 2HD ARG 11 2HD ARG 11 -9.863 27.372 6.270 75 HE ARG 11 HE ARG 11 -8.450 27.607 8.865 76 1HH1 ARG 11 1HH1 ARG 11 -7.091 30.023 6.404 77 2HH1 ARG 11 2HH1 ARG 11 -6.874 28.314 6.578 78 1HH2 ARG 11 1HH2 ARG 11 -9.945 30.128 8.388 79 2HH2 ARG 11 2HH2 ARG 11 -8.836 31.054 7.433 80 H ALA 12 H ALA 12 -11.800 22.902 7.101 81 HA ALA 12 HA ALA 12 -11.368 22.749 9.954 82 1HB ALA 12 1HB ALA 12 -13.687 21.893 10.030 83 2HB ALA 12 2HB ALA 12 -13.676 21.722 8.274 84 3HB ALA 12 3HB ALA 12 -13.566 23.324 9.005 85 H PHE 13 H PHE 13 -10.852 20.490 7.391 86 HA PHE 13 HA PHE 13 -11.332 18.033 8.791 87 1HB PHE 13 1HB PHE 13 -9.286 18.540 6.607 88 2HB PHE 13 2HB PHE 13 -10.998 18.251 6.303 89 HD1 PHE 13 HD1 PHE 13 -12.012 16.056 6.784 90 HD2 PHE 13 HD2 PHE 13 -7.813 16.760 7.357 91 HE1 PHE 13 HE1 PHE 13 -11.623 13.612 6.943 92 HE2 PHE 13 HE2 PHE 13 -7.425 14.316 7.515 93 HZ PHE 13 HZ PHE 13 -9.329 12.743 7.308 94 H LEU 14 H LEU 14 -8.449 20.118 8.528 95 HA LEU 14 HA LEU 14 -7.186 18.464 10.682 96 1HB LEU 14 1HB LEU 14 -5.457 18.209 9.243 97 2HB LEU 14 2HB LEU 14 -5.091 19.904 9.561 98 HG LEU 14 HG LEU 14 -7.072 19.119 7.411 99 1HD1 LEU 14 1HD1 LEU 14 -7.211 21.380 7.406 100 2HD1 LEU 14 2HD1 LEU 14 -5.628 21.347 6.633 101 3HD1 LEU 14 3HD1 LEU 14 -5.753 21.556 8.379 102 1HD2 LEU 14 1HD2 LEU 14 -4.093 19.514 7.003 103 2HD2 LEU 14 2HD2 LEU 14 -5.287 19.077 5.782 104 3HD2 LEU 14 3HD2 LEU 14 -4.870 17.932 7.055 105 H SER 15 H SER 15 -6.820 19.520 12.561 106 HA SER 15 HA SER 15 -7.553 22.332 12.816 107 1HB SER 15 1HB SER 15 -6.998 22.028 15.195 108 2HB SER 15 2HB SER 15 -6.267 20.466 14.837 109 HG SER 15 HG SER 15 -8.952 21.202 14.870 110 H GLU 16 H GLU 16 -5.889 23.718 14.232 111 HA GLU 16 HA GLU 16 -3.655 24.318 12.573 112 1HB GLU 16 1HB GLU 16 -3.186 25.119 15.323 113 2HB GLU 16 2HB GLU 16 -4.855 25.445 14.857 114 1HG GLU 16 1HG GLU 16 -3.618 27.389 14.224 115 2HG GLU 16 2HG GLU 16 -3.898 26.501 12.727 116 H GLU 17 H GLU 17 -3.982 22.042 15.234 117 HA GLU 17 HA GLU 17 -1.179 21.682 15.781 118 1HB GLU 17 1HB GLU 17 -3.203 19.466 16.051 119 2HB GLU 17 2HB GLU 17 -3.285 20.869 17.117 120 1HG GLU 17 1HG GLU 17 -0.868 20.474 17.698 121 2HG GLU 17 2HG GLU 17 -0.939 18.981 16.764 122 H MET 18 H MET 18 -3.481 19.964 13.658 123 HA MET 18 HA MET 18 -1.543 18.127 12.573 124 1HB MET 18 1HB MET 18 -3.611 18.724 10.670 125 2HB MET 18 2HB MET 18 -4.327 18.634 12.277 126 1HG MET 18 1HG MET 18 -3.006 16.452 12.570 127 2HG MET 18 2HG MET 18 -2.723 16.519 10.831 128 1HE MET 18 1HE MET 18 -5.478 15.327 13.552 129 2HE MET 18 2HE MET 18 -6.703 16.475 13.016 130 3HE MET 18 3HE MET 18 -5.124 17.059 13.538 131 H ILE 19 H ILE 19 -2.911 21.195 11.405 132 HA ILE 19 HA ILE 19 -1.589 21.485 8.954 133 HB ILE 19 HB ILE 19 -2.289 23.553 11.053 134 1HG1 ILE 19 1HG1 ILE 19 -4.150 24.036 9.514 135 2HG1 ILE 19 2HG1 ILE 19 -4.162 22.336 9.979 136 1HG2 ILE 19 1HG2 ILE 19 -2.094 25.154 9.033 137 2HG2 ILE 19 2HG2 ILE 19 -1.099 23.897 8.300 138 3HG2 ILE 19 3HG2 ILE 19 -0.595 24.648 9.813 139 1HD1 ILE 19 1HD1 ILE 19 -2.666 23.143 7.505 140 2HD1 ILE 19 2HD1 ILE 19 -4.425 23.031 7.439 141 3HD1 ILE 19 3HD1 ILE 19 -3.467 21.617 7.879 142 H ALA 20 H ALA 20 -0.274 22.152 12.210 143 HA ALA 20 HA ALA 20 2.173 23.359 11.414 144 1HB ALA 20 1HB ALA 20 3.037 22.320 13.616 145 2HB ALA 20 2HB ALA 20 1.396 21.705 13.814 146 3HB ALA 20 3HB ALA 20 1.680 23.442 13.724 147 H GLU 21 H GLU 21 1.453 19.893 12.019 148 HA GLU 21 HA GLU 21 4.066 18.940 11.309 149 1HB GLU 21 1HB GLU 21 1.470 17.417 10.948 150 2HB GLU 21 2HB GLU 21 2.239 17.636 12.520 151 1HG GLU 21 1HG GLU 21 3.919 16.160 12.044 152 2HG GLU 21 2HG GLU 21 4.028 16.674 10.361 153 H PHE 22 H PHE 22 1.133 19.555 9.395 154 HA PHE 22 HA PHE 22 2.147 18.461 6.926 155 1HB PHE 22 1HB PHE 22 0.323 19.761 5.862 156 2HB PHE 22 2HB PHE 22 0.046 20.605 7.382 157 HD1 PHE 22 HD1 PHE 22 0.773 16.989 6.680 158 HD2 PHE 22 HD2 PHE 22 -2.030 19.865 8.207 159 HE1 PHE 22 HE1 PHE 22 -0.710 15.150 7.424 160 HE2 PHE 22 HE2 PHE 22 -3.510 18.023 8.950 161 HZ PHE 22 HZ PHE 22 -2.851 15.666 8.561 162 H LYS 23 H LYS 23 2.540 21.563 8.557 163 HA LYS 23 HA LYS 23 3.465 23.094 6.315 164 1HB LYS 23 1HB LYS 23 4.395 23.430 9.175 165 2HB LYS 23 2HB LYS 23 2.801 23.952 8.630 166 1HG LYS 23 1HG LYS 23 4.090 25.220 6.767 167 2HG LYS 23 2HG LYS 23 5.510 24.976 7.784 168 1HD LYS 23 1HD LYS 23 4.124 25.974 9.694 169 2HD LYS 23 2HD LYS 23 2.966 26.469 8.459 170 1HE LYS 23 1HE LYS 23 4.760 27.716 7.291 171 2HE LYS 23 2HE LYS 23 5.904 27.230 8.543 172 1HZ LYS 23 1HZ LYS 23 4.519 28.360 10.183 173 2HZ LYS 23 2HZ LYS 23 3.448 28.853 8.959 174 3HZ LYS 23 3HZ LYS 23 5.044 29.433 8.980 175 H ALA 24 H ALA 24 5.111 20.824 8.494 176 HA ALA 24 HA ALA 24 7.795 21.491 7.723 177 1HB ALA 24 1HB ALA 24 6.712 18.821 8.670 178 2HB ALA 24 2HB ALA 24 7.247 20.128 9.725 179 3HB ALA 24 3HB ALA 24 8.405 19.313 8.675 180 H ALA 25 H ALA 25 5.550 18.989 6.514 181 HA ALA 25 HA ALA 25 7.355 18.025 4.470 182 1HB ALA 25 1HB ALA 25 5.589 16.567 5.200 183 2HB ALA 25 2HB ALA 25 5.245 16.988 3.522 184 3HB ALA 25 3HB ALA 25 4.359 17.776 4.829 185 H PHE 26 H PHE 26 4.861 20.536 4.556 186 HA PHE 26 HA PHE 26 4.653 20.981 1.733 187 1HB PHE 26 1HB PHE 26 4.258 22.881 4.067 188 2HB PHE 26 2HB PHE 26 3.012 21.901 3.296 189 HD1 PHE 26 HD1 PHE 26 2.314 22.379 0.955 190 HD2 PHE 26 HD2 PHE 26 5.042 24.930 3.075 191 HE1 PHE 26 HE1 PHE 26 1.928 24.174 -0.713 192 HE2 PHE 26 HE2 PHE 26 4.657 26.725 1.406 193 HZ PHE 26 HZ PHE 26 3.101 26.348 -0.488 194 H ASP 27 H ASP 27 6.764 22.459 4.210 195 HA ASP 27 HA ASP 27 8.037 24.343 2.488 196 1HB ASP 27 1HB ASP 27 9.018 22.976 5.005 197 2HB ASP 27 2HB ASP 27 8.218 24.541 4.895 198 H MET 28 H MET 28 8.507 20.879 2.819 199 HA MET 28 HA MET 28 11.177 20.723 1.777 200 1HB MET 28 1HB MET 28 10.791 18.399 1.437 201 2HB MET 28 2HB MET 28 9.058 18.635 1.235 202 1HG MET 28 1HG MET 28 9.582 17.658 3.442 203 2HG MET 28 2HG MET 28 8.854 19.254 3.603 204 1HE MET 28 1HE MET 28 10.952 17.671 5.953 205 2HE MET 28 2HE MET 28 12.582 17.675 5.283 206 3HE MET 28 3HE MET 28 11.275 16.896 4.396 207 H PHE 29 H PHE 29 8.031 20.299 0.129 208 HA PHE 29 HA PHE 29 9.127 20.247 -2.517 209 1HB PHE 29 1HB PHE 29 6.642 21.226 -2.955 210 2HB PHE 29 2HB PHE 29 6.431 20.602 -1.319 211 HD1 PHE 29 HD1 PHE 29 6.929 19.753 -4.831 212 HD2 PHE 29 HD2 PHE 29 6.905 18.195 -0.827 213 HE1 PHE 29 HE1 PHE 29 6.785 17.446 -5.728 214 HE2 PHE 29 HE2 PHE 29 6.761 15.888 -1.726 215 HZ PHE 29 HZ PHE 29 6.702 15.513 -4.176 216 H ASP 30 H ASP 30 8.343 22.837 -0.329 217 HA ASP 30 HA ASP 30 8.600 24.942 -2.373 218 1HB ASP 30 1HB ASP 30 8.546 25.330 0.618 219 2HB ASP 30 2HB ASP 30 7.070 25.016 -0.290 220 H ALA 31 H ALA 31 10.879 23.393 -2.344 221 HA ALA 31 HA ALA 31 12.988 24.120 -0.607 222 1HB ALA 31 1HB ALA 31 12.904 22.309 -2.473 223 2HB ALA 31 2HB ALA 31 14.441 23.114 -2.157 224 3HB ALA 31 3HB ALA 31 13.458 23.602 -3.537 225 H ASP 32 H ASP 32 11.632 25.879 -3.346 226 HA ASP 32 HA ASP 32 13.871 27.774 -3.465 227 1HB ASP 32 1HB ASP 32 11.166 28.286 -4.678 228 2HB ASP 32 2HB ASP 32 12.216 27.053 -5.375 229 H GLY 33 H GLY 33 10.681 27.593 -1.943 230 1HA GLY 33 1HA GLY 33 11.355 30.054 -0.420 231 2HA GLY 33 2HA GLY 33 10.157 28.853 0.054 232 H GLY 34 H GLY 34 9.289 31.387 0.185 233 1HA GLY 34 1HA GLY 34 7.760 31.865 -2.343 234 2HA GLY 34 2HA GLY 34 8.167 33.127 -1.181 235 H GLY 35 H GLY 35 6.952 29.896 -0.321 236 1HA GLY 35 1HA GLY 35 4.460 31.216 0.694 237 2HA GLY 35 2HA GLY 35 5.251 29.883 1.531 238 H ASP 36 H ASP 36 5.079 29.828 -1.960 239 HA ASP 36 HA ASP 36 3.077 27.616 -1.780 240 1HB ASP 36 1HB ASP 36 1.863 28.418 -3.613 241 2HB ASP 36 2HB ASP 36 3.199 29.398 -4.196 242 H ILE 37 H ILE 37 3.240 26.120 -3.681 243 HA ILE 37 HA ILE 37 6.097 25.837 -4.513 244 HB ILE 37 HB ILE 37 3.865 23.785 -4.669 245 1HG1 ILE 37 1HG1 ILE 37 4.657 24.704 -2.322 246 2HG1 ILE 37 2HG1 ILE 37 6.095 23.734 -2.639 247 1HG2 ILE 37 1HG2 ILE 37 5.922 22.244 -4.723 248 2HG2 ILE 37 2HG2 ILE 37 6.870 23.697 -5.041 249 3HG2 ILE 37 3HG2 ILE 37 5.618 23.194 -6.177 250 1HD1 ILE 37 1HD1 ILE 37 4.820 22.109 -1.634 251 2HD1 ILE 37 2HD1 ILE 37 4.203 21.920 -3.275 252 3HD1 ILE 37 3HD1 ILE 37 3.296 22.869 -2.095 253 H SER 38 H SER 38 6.543 25.316 -6.775 254 HA SER 38 HA SER 38 4.346 26.164 -8.629 255 1HB SER 38 1HB SER 38 6.337 26.950 -10.096 256 2HB SER 38 2HB SER 38 7.285 26.849 -8.616 257 HG SER 38 HG SER 38 6.264 28.928 -9.048 258 H THR 39 H THR 39 5.043 25.444 -11.007 259 HA THR 39 HA THR 39 5.110 22.558 -11.008 260 HB THR 39 HB THR 39 5.728 24.221 -13.447 261 HG1 THR 39 HG1 THR 39 3.930 25.232 -13.135 262 1HG2 THR 39 1HG2 THR 39 3.862 21.871 -13.191 263 2HG2 THR 39 2HG2 THR 39 5.603 21.630 -13.334 264 3HG2 THR 39 3HG2 THR 39 4.717 22.450 -14.620 265 H LYS 40 H LYS 40 7.551 25.054 -11.712 266 HA LYS 40 HA LYS 40 9.601 23.228 -12.597 267 1HB LYS 40 1HB LYS 40 11.090 25.064 -12.513 268 2HB LYS 40 2HB LYS 40 10.191 25.848 -11.215 269 1HG LYS 40 1HG LYS 40 8.449 26.511 -12.673 270 2HG LYS 40 2HG LYS 40 8.955 25.385 -13.933 271 1HD LYS 40 1HD LYS 40 11.190 26.782 -13.873 272 2HD LYS 40 2HD LYS 40 10.168 28.019 -13.141 273 1HE LYS 40 1HE LYS 40 9.448 26.615 -15.727 274 2HE LYS 40 2HE LYS 40 10.374 28.115 -15.684 275 1HZ LYS 40 1HZ LYS 40 8.516 29.077 -14.354 276 2HZ LYS 40 2HZ LYS 40 7.618 27.671 -14.678 277 3HZ LYS 40 3HZ LYS 40 8.104 28.684 -15.952 278 H GLU 41 H GLU 41 8.849 24.684 -9.426 279 HA GLU 41 HA GLU 41 11.017 23.551 -7.956 280 1HB GLU 41 1HB GLU 41 9.208 23.663 -6.026 281 2HB GLU 41 2HB GLU 41 8.275 24.538 -7.238 282 1HG GLU 41 1HG GLU 41 10.174 26.110 -7.537 283 2HG GLU 41 2HG GLU 41 11.068 25.248 -6.283 284 H LEU 42 H LEU 42 7.856 22.222 -8.861 285 HA LEU 42 HA LEU 42 7.810 19.910 -7.232 286 1HB LEU 42 1HB LEU 42 6.763 19.227 -9.801 287 2HB LEU 42 2HB LEU 42 6.367 20.918 -9.496 288 HG LEU 42 HG LEU 42 5.838 18.638 -7.568 289 1HD1 LEU 42 1HD1 LEU 42 6.237 20.947 -6.604 290 2HD1 LEU 42 2HD1 LEU 42 4.645 20.274 -6.259 291 3HD1 LEU 42 3HD1 LEU 42 4.832 21.495 -7.518 292 1HD2 LEU 42 1HD2 LEU 42 4.168 18.244 -9.097 293 2HD2 LEU 42 2HD2 LEU 42 4.259 19.873 -9.768 294 3HD2 LEU 42 3HD2 LEU 42 3.396 19.588 -8.257 295 H GLY 43 H GLY 43 8.919 20.066 -10.650 296 1HA GLY 43 1HA GLY 43 10.524 18.788 -11.789 297 2HA GLY 43 2HA GLY 43 10.000 17.451 -10.770 298 H THR 44 H THR 44 11.439 20.443 -9.533 299 HA THR 44 HA THR 44 14.134 19.455 -9.320 300 HB THR 44 HB THR 44 12.822 21.549 -7.562 301 HG1 THR 44 HG1 THR 44 12.687 22.706 -9.287 302 1HG2 THR 44 1HG2 THR 44 14.977 21.070 -6.720 303 2HG2 THR 44 2HG2 THR 44 15.229 22.473 -7.758 304 3HG2 THR 44 3HG2 THR 44 15.656 20.862 -8.333 305 H VAL 45 H VAL 45 11.362 19.435 -7.085 306 HA VAL 45 HA VAL 45 12.818 18.302 -4.860 307 HB VAL 45 HB VAL 45 9.836 18.230 -5.446 308 1HG1 VAL 45 1HG1 VAL 45 10.634 16.637 -3.681 309 2HG1 VAL 45 2HG1 VAL 45 9.572 17.894 -3.050 310 3HG1 VAL 45 3HG1 VAL 45 11.315 18.009 -2.806 311 1HG2 VAL 45 1HG2 VAL 45 11.325 20.484 -5.186 312 2HG2 VAL 45 2HG2 VAL 45 11.004 20.137 -3.487 313 3HG2 VAL 45 3HG2 VAL 45 9.663 20.360 -4.610 314 H MET 46 H MET 46 11.116 16.899 -7.630 315 HA MET 46 HA MET 46 11.041 14.198 -6.596 316 1HB MET 46 1HB MET 46 10.468 13.525 -8.831 317 2HB MET 46 2HB MET 46 11.174 14.987 -9.519 318 1HG MET 46 1HG MET 46 9.213 16.060 -9.294 319 2HG MET 46 2HG MET 46 9.212 15.744 -7.559 320 1HE MET 46 1HE MET 46 5.861 14.395 -7.594 321 2HE MET 46 2HE MET 46 6.252 15.799 -8.585 322 3HE MET 46 3HE MET 46 7.082 15.555 -7.051 323 NH1 ARG 47 NH1 ARG 47 14.134 16.134 -14.921 324 NH2 ARG 47 NH2 ARG 47 16.215 16.674 -14.204 325 H ARG 47 H ARG 47 13.230 15.835 -8.903 326 HA ARG 47 HA ARG 47 15.088 13.664 -9.120 327 1HB ARG 47 1HB ARG 47 16.638 15.785 -9.699 328 2HB ARG 47 2HB ARG 47 15.058 16.555 -9.825 329 1HG ARG 47 1HG ARG 47 15.285 13.898 -11.120 330 2HG ARG 47 2HG ARG 47 16.237 15.182 -11.856 331 1HD ARG 47 1HD ARG 47 13.424 15.839 -11.130 332 2HD ARG 47 2HD ARG 47 13.663 14.758 -12.502 333 HE ARG 47 HE ARG 47 14.363 17.603 -12.412 334 1HH1 ARG 47 1HH1 ARG 47 16.573 16.528 -15.127 335 2HH1 ARG 47 2HH1 ARG 47 16.832 16.954 -13.468 336 1HH2 ARG 47 1HH2 ARG 47 13.161 16.002 -14.734 337 2HH2 ARG 47 2HH2 ARG 47 14.489 15.988 -15.845 338 H MET 48 H MET 48 14.614 16.027 -6.577 339 HA MET 48 HA MET 48 17.291 16.090 -5.551 340 1HB MET 48 1HB MET 48 15.014 17.409 -4.903 341 2HB MET 48 2HB MET 48 16.421 17.344 -3.850 342 1HG MET 48 1HG MET 48 15.464 15.546 -2.556 343 2HG MET 48 2HG MET 48 14.144 15.348 -3.708 344 1HE MET 48 1HE MET 48 15.703 17.803 -0.927 345 2HE MET 48 2HE MET 48 15.006 16.231 -0.545 346 3HE MET 48 3HE MET 48 14.192 17.699 -0.012 347 H LEU 49 H LEU 49 14.631 13.794 -5.089 348 HA LEU 49 HA LEU 49 16.122 12.254 -3.074 349 1HB LEU 49 1HB LEU 49 13.593 11.476 -4.557 350 2HB LEU 49 2HB LEU 49 13.599 12.466 -3.098 351 HG LEU 49 HG LEU 49 15.188 10.341 -2.353 352 1HD1 LEU 49 1HD1 LEU 49 12.180 10.307 -2.063 353 2HD1 LEU 49 2HD1 LEU 49 13.180 11.490 -1.221 354 3HD1 LEU 49 3HD1 LEU 49 13.395 9.769 -0.904 355 1HD2 LEU 49 1HD2 LEU 49 14.247 9.386 -4.664 356 2HD2 LEU 49 2HD2 LEU 49 12.852 8.999 -3.658 357 3HD2 LEU 49 3HD2 LEU 49 14.438 8.343 -3.255 358 H GLY 50 H GLY 50 15.631 12.236 -6.543 359 1HA GLY 50 1HA GLY 50 17.143 9.659 -6.724 360 2HA GLY 50 2HA GLY 50 17.524 11.036 -7.753 361 H GLN 51 H GLN 51 14.267 11.262 -7.546 362 HA GLN 51 HA GLN 51 13.576 9.118 -9.454 363 1HB GLN 51 1HB GLN 51 11.684 11.326 -8.731 364 2HB GLN 51 2HB GLN 51 12.115 10.157 -7.483 365 1HG GLN 51 1HG GLN 51 11.125 8.384 -8.619 366 2HG GLN 51 2HG GLN 51 11.323 9.149 -10.195 367 1HE2 GLN 51 1HE2 GLN 51 9.753 10.850 -10.793 368 2HE2 GLN 51 2HE2 GLN 51 8.272 10.988 -9.975 369 H ASN 52 H ASN 52 12.905 9.544 -11.620 370 HA ASN 52 HA ASN 52 13.544 12.296 -12.614 371 1HB ASN 52 1HB ASN 52 13.945 9.771 -14.229 372 2HB ASN 52 2HB ASN 52 15.213 10.425 -13.195 373 1HD2 ASN 52 1HD2 ASN 52 14.670 10.307 -16.312 374 2HD2 ASN 52 2HD2 ASN 52 15.063 11.882 -16.810 375 HA PRO 53 HA PRO 53 9.211 11.272 -13.813 376 1HB PRO 53 1HB PRO 53 8.333 12.259 -11.925 377 2HB PRO 53 2HB PRO 53 8.176 13.677 -12.975 378 1HG PRO 53 1HG PRO 53 9.653 13.640 -10.632 379 2HG PRO 53 2HG PRO 53 9.975 14.748 -11.974 380 1HD PRO 53 1HD PRO 53 11.548 12.428 -11.055 381 2HD PRO 53 2HD PRO 53 12.030 13.734 -12.158 382 H THR 54 H THR 54 7.779 12.601 -15.351 383 HA THR 54 HA THR 54 9.483 13.866 -17.393 384 HB THR 54 HB THR 54 6.543 13.840 -17.780 385 HG1 THR 54 HG1 THR 54 6.280 11.773 -17.547 386 1HG2 THR 54 1HG2 THR 54 8.650 12.555 -19.495 387 2HG2 THR 54 2HG2 THR 54 8.479 14.310 -19.452 388 3HG2 THR 54 3HG2 THR 54 7.130 13.306 -19.983 389 H LYS 55 H LYS 55 9.293 16.031 -18.066 390 HA LYS 55 HA LYS 55 8.487 17.942 -16.052 391 1HB LYS 55 1HB LYS 55 8.822 19.556 -18.109 392 2HB LYS 55 2HB LYS 55 9.491 18.117 -18.878 393 1HG LYS 55 1HG LYS 55 11.303 18.028 -17.439 394 2HG LYS 55 2HG LYS 55 10.419 18.781 -16.111 395 1HD LYS 55 1HD LYS 55 11.094 20.334 -18.610 396 2HD LYS 55 2HD LYS 55 12.257 20.181 -17.292 397 1HE LYS 55 1HE LYS 55 11.130 21.665 -16.007 398 2HE LYS 55 2HE LYS 55 9.584 20.884 -16.333 399 1HZ LYS 55 1HZ LYS 55 9.598 23.121 -17.201 400 2HZ LYS 55 2HZ LYS 55 9.524 22.010 -18.483 401 3HZ LYS 55 3HZ LYS 55 10.986 22.798 -18.122 402 H GLU 56 H GLU 56 7.137 17.123 -19.277 403 HA GLU 56 HA GLU 56 4.863 18.867 -19.052 404 1HB GLU 56 1HB GLU 56 5.617 17.959 -21.219 405 2HB GLU 56 2HB GLU 56 3.926 17.563 -20.925 406 1HG GLU 56 1HG GLU 56 4.356 15.342 -20.949 407 2HG GLU 56 2HG GLU 56 5.725 15.523 -19.852 408 H GLU 57 H GLU 57 5.493 15.611 -17.887 409 HA GLU 57 HA GLU 57 2.737 14.922 -17.314 410 1HB GLU 57 1HB GLU 57 5.255 13.861 -15.989 411 2HB GLU 57 2HB GLU 57 4.623 13.264 -17.523 412 1HG GLU 57 1HG GLU 57 3.350 11.837 -16.327 413 2HG GLU 57 2HG GLU 57 2.416 13.236 -15.794 414 H LEU 58 H LEU 58 5.387 16.402 -15.470 415 HA LEU 58 HA LEU 58 3.975 16.552 -12.963 416 1HB LEU 58 1HB LEU 58 5.783 18.639 -12.918 417 2HB LEU 58 2HB LEU 58 6.497 17.547 -14.103 418 HG LEU 58 HG LEU 58 6.213 15.676 -12.445 419 1HD1 LEU 58 1HD1 LEU 58 8.404 16.469 -12.482 420 2HD1 LEU 58 2HD1 LEU 58 7.975 16.744 -10.794 421 3HD1 LEU 58 3HD1 LEU 58 7.938 18.083 -11.942 422 1HD2 LEU 58 1HD2 LEU 58 5.203 15.996 -10.432 423 2HD2 LEU 58 2HD2 LEU 58 4.524 17.446 -11.170 424 3HD2 LEU 58 3HD2 LEU 58 5.984 17.557 -10.187 425 H ASP 59 H ASP 59 4.159 18.646 -15.785 426 HA ASP 59 HA ASP 59 2.920 20.963 -14.621 427 1HB ASP 59 1HB ASP 59 2.766 20.085 -17.521 428 2HB ASP 59 2HB ASP 59 4.167 20.898 -16.825 429 H ALA 60 H ALA 60 1.651 18.007 -16.105 430 HA ALA 60 HA ALA 60 -1.107 18.901 -16.202 431 1HB ALA 60 1HB ALA 60 -0.177 16.027 -16.004 432 2HB ALA 60 2HB ALA 60 -0.073 16.947 -17.505 433 3HB ALA 60 3HB ALA 60 -1.645 16.643 -16.765 434 H ILE 61 H ILE 61 0.947 17.364 -13.803 435 HA ILE 61 HA ILE 61 -1.009 16.453 -11.959 436 HB ILE 61 HB ILE 61 1.852 17.372 -11.733 437 1HG1 ILE 61 1HG1 ILE 61 1.138 15.093 -12.617 438 2HG1 ILE 61 2HG1 ILE 61 0.542 14.740 -10.994 439 1HG2 ILE 61 1HG2 ILE 61 1.742 16.593 -9.312 440 2HG2 ILE 61 2HG2 ILE 61 -0.014 16.669 -9.446 441 3HG2 ILE 61 3HG2 ILE 61 0.949 18.136 -9.633 442 1HD1 ILE 61 1HD1 ILE 61 3.357 15.080 -11.956 443 2HD1 ILE 61 2HD1 ILE 61 2.699 13.908 -10.816 444 3HD1 ILE 61 3HD1 ILE 61 2.980 15.572 -10.306 445 H ILE 62 H ILE 62 0.320 19.700 -12.518 446 HA ILE 62 HA ILE 62 -1.228 20.782 -10.231 447 HB ILE 62 HB ILE 62 0.555 22.275 -12.180 448 1HG1 ILE 62 1HG1 ILE 62 1.841 20.525 -11.027 449 2HG1 ILE 62 2HG1 ILE 62 1.195 21.047 -9.474 450 1HG2 ILE 62 1HG2 ILE 62 0.622 23.948 -10.344 451 2HG2 ILE 62 2HG2 ILE 62 -0.498 22.955 -9.412 452 3HG2 ILE 62 3HG2 ILE 62 -1.023 23.690 -10.927 453 1HD1 ILE 62 1HD1 ILE 62 2.287 23.225 -9.721 454 2HD1 ILE 62 2HD1 ILE 62 2.857 22.781 -11.329 455 3HD1 ILE 62 3HD1 ILE 62 3.483 21.944 -9.910 456 H GLU 63 H GLU 63 -1.278 20.679 -13.755 457 HA GLU 63 HA GLU 63 -3.050 22.795 -14.346 458 1HB GLU 63 1HB GLU 63 -3.758 20.489 -15.917 459 2HB GLU 63 2HB GLU 63 -2.009 20.523 -15.703 460 1HG GLU 63 1HG GLU 63 -1.974 22.877 -16.472 461 2HG GLU 63 2HG GLU 63 -3.720 22.815 -16.712 462 H GLU 64 H GLU 64 -3.776 19.487 -13.241 463 HA GLU 64 HA GLU 64 -6.664 19.855 -13.332 464 1HB GLU 64 1HB GLU 64 -5.869 17.810 -11.472 465 2HB GLU 64 2HB GLU 64 -4.846 17.712 -12.903 466 1HG GLU 64 1HG GLU 64 -7.125 17.985 -14.194 467 2HG GLU 64 2HG GLU 64 -7.829 17.423 -12.678 468 H VAL 65 H VAL 65 -4.139 20.457 -10.979 469 HA VAL 65 HA VAL 65 -5.823 20.592 -8.644 470 HB VAL 65 HB VAL 65 -3.110 21.819 -9.225 471 1HG1 VAL 65 1HG1 VAL 65 -4.752 21.663 -6.690 472 2HG1 VAL 65 2HG1 VAL 65 -4.012 23.087 -7.423 473 3HG1 VAL 65 3HG1 VAL 65 -2.999 21.860 -6.664 474 1HG2 VAL 65 1HG2 VAL 65 -3.538 19.230 -9.147 475 2HG2 VAL 65 2HG2 VAL 65 -3.675 19.486 -7.407 476 3HG2 VAL 65 3HG2 VAL 65 -2.181 19.904 -8.246 477 H ASP 66 H ASP 66 -4.740 23.090 -10.990 478 HA ASP 66 HA ASP 66 -5.942 25.253 -9.476 479 1HB ASP 66 1HB ASP 66 -4.179 25.892 -10.932 480 2HB ASP 66 2HB ASP 66 -5.639 26.577 -11.628 481 H GLU 67 H GLU 67 -7.987 23.564 -9.437 482 HA GLU 67 HA GLU 67 -9.813 23.782 -11.675 483 1HB GLU 67 1HB GLU 67 -11.353 23.308 -9.383 484 2HB GLU 67 2HB GLU 67 -9.797 22.558 -9.024 485 1HG GLU 67 1HG GLU 67 -11.004 20.859 -10.147 486 2HG GLU 67 2HG GLU 67 -9.969 21.541 -11.402 487 H ASP 68 H ASP 68 -9.371 25.538 -8.617 488 HA ASP 68 HA ASP 68 -11.657 27.287 -9.012 489 1HB ASP 68 1HB ASP 68 -10.466 28.652 -7.195 490 2HB ASP 68 2HB ASP 68 -9.251 27.374 -7.178 491 H GLY 69 H GLY 69 -8.157 27.519 -9.652 492 1HA GLY 69 1HA GLY 69 -8.646 30.119 -11.047 493 2HA GLY 69 2HA GLY 69 -7.739 28.828 -11.833 494 H SER 70 H SER 70 -6.080 27.915 -9.843 495 HA SER 70 HA SER 70 -4.706 30.287 -8.700 496 1HB SER 70 1HB SER 70 -3.259 28.060 -7.916 497 2HB SER 70 2HB SER 70 -4.908 27.445 -7.993 498 HG SER 70 HG SER 70 -3.986 28.710 -6.020 499 H GLY 71 H GLY 71 -3.407 27.248 -10.080 500 1HA GLY 71 1HA GLY 71 -1.499 28.913 -11.676 501 2HA GLY 71 2HA GLY 71 -2.227 27.443 -12.328 502 H THR 72 H THR 72 -0.655 28.324 -9.236 503 HA THR 72 HA THR 72 1.227 26.030 -9.607 504 HB THR 72 HB THR 72 2.715 27.217 -8.062 505 HG1 THR 72 HG1 THR 72 1.861 28.591 -6.753 506 1HG2 THR 72 1HG2 THR 72 3.348 29.020 -9.479 507 2HG2 THR 72 2HG2 THR 72 1.695 29.249 -10.048 508 3HG2 THR 72 3HG2 THR 72 2.608 27.823 -10.541 509 H ILE 73 H ILE 73 1.997 25.571 -6.969 510 HA ILE 73 HA ILE 73 -0.583 24.623 -5.801 511 HB ILE 73 HB ILE 73 2.091 23.796 -4.731 512 1HG1 ILE 73 1HG1 ILE 73 2.278 23.504 -7.184 513 2HG1 ILE 73 2HG1 ILE 73 0.748 22.628 -7.198 514 1HG2 ILE 73 1HG2 ILE 73 0.867 21.755 -4.196 515 2HG2 ILE 73 2HG2 ILE 73 -0.533 22.325 -5.103 516 3HG2 ILE 73 3HG2 ILE 73 -0.046 23.150 -3.622 517 1HD1 ILE 73 1HD1 ILE 73 3.222 21.774 -5.658 518 2HD1 ILE 73 2HD1 ILE 73 2.718 21.100 -7.208 519 3HD1 ILE 73 3HD1 ILE 73 1.708 20.877 -5.780 520 H ASP 74 H ASP 74 -1.289 25.418 -3.919 521 HA ASP 74 HA ASP 74 0.352 27.471 -2.514 522 1HB ASP 74 1HB ASP 74 -1.887 28.128 -1.519 523 2HB ASP 74 2HB ASP 74 -2.632 26.962 -2.606 524 H PHE 75 H PHE 75 -0.453 27.560 -0.038 525 HA PHE 75 HA PHE 75 0.387 25.057 1.161 526 1HB PHE 75 1HB PHE 75 -0.972 27.350 2.601 527 2HB PHE 75 2HB PHE 75 0.732 27.395 2.149 528 HD1 PHE 75 HD1 PHE 75 2.376 26.054 3.309 529 HD2 PHE 75 HD2 PHE 75 -1.803 25.645 4.218 530 HE1 PHE 75 HE1 PHE 75 2.943 24.726 5.323 531 HE2 PHE 75 HE2 PHE 75 -1.233 24.317 6.233 532 HZ PHE 75 HZ PHE 75 1.139 23.857 6.787 533 H GLU 76 H GLU 76 -2.737 26.807 1.056 534 HA GLU 76 HA GLU 76 -4.212 24.703 2.376 535 1HB GLU 76 1HB GLU 76 -6.225 25.885 1.419 536 2HB GLU 76 2HB GLU 76 -5.121 26.958 0.557 537 1HG GLU 76 1HG GLU 76 -4.474 28.052 2.480 538 2HG GLU 76 2HG GLU 76 -4.672 26.620 3.489 539 H GLU 77 H GLU 77 -3.044 25.120 -0.862 540 HA GLU 77 HA GLU 77 -4.918 23.297 -2.154 541 1HB GLU 77 1HB GLU 77 -2.127 23.713 -3.173 542 2HB GLU 77 2HB GLU 77 -3.231 25.088 -3.189 543 1HG GLU 77 1HG GLU 77 -4.290 22.505 -4.228 544 2HG GLU 77 2HG GLU 77 -3.084 23.324 -5.219 545 H PHE 78 H PHE 78 -1.822 23.154 -0.532 546 HA PHE 78 HA PHE 78 -1.202 20.398 -1.056 547 1HB PHE 78 1HB PHE 78 -0.357 22.427 1.023 548 2HB PHE 78 2HB PHE 78 0.555 21.871 -0.371 549 HD1 PHE 78 HD1 PHE 78 0.787 19.123 -0.388 550 HD2 PHE 78 HD2 PHE 78 0.340 21.627 3.075 551 HE1 PHE 78 HE1 PHE 78 1.822 17.363 1.023 552 HE2 PHE 78 HE2 PHE 78 1.374 19.868 4.480 553 HZ PHE 78 HZ PHE 78 2.114 17.736 3.455 554 H LEU 79 H LEU 79 -3.058 22.114 1.439 555 HA LEU 79 HA LEU 79 -3.445 19.798 3.150 556 1HB LEU 79 1HB LEU 79 -5.110 21.135 4.289 557 2HB LEU 79 2HB LEU 79 -5.219 22.232 2.918 558 HG LEU 79 HG LEU 79 -2.794 22.814 3.284 559 1HD1 LEU 79 1HD1 LEU 79 -3.227 24.185 5.327 560 2HD1 LEU 79 2HD1 LEU 79 -4.714 23.273 5.585 561 3HD1 LEU 79 3HD1 LEU 79 -4.537 24.283 4.150 562 1HD2 LEU 79 1HD2 LEU 79 -1.958 22.229 5.638 563 2HD2 LEU 79 2HD2 LEU 79 -1.974 20.908 4.470 564 3HD2 LEU 79 3HD2 LEU 79 -3.247 21.027 5.684 565 H VAL 80 H VAL 80 -5.599 21.468 0.807 566 HA VAL 80 HA VAL 80 -7.736 19.590 0.972 567 HB VAL 80 HB VAL 80 -7.820 21.883 -0.101 568 1HG1 VAL 80 1HG1 VAL 80 -7.216 22.022 -2.494 569 2HG1 VAL 80 2HG1 VAL 80 -6.545 20.392 -2.413 570 3HG1 VAL 80 3HG1 VAL 80 -5.804 21.698 -1.490 571 1HG2 VAL 80 1HG2 VAL 80 -8.823 19.795 -2.026 572 2HG2 VAL 80 2HG2 VAL 80 -9.611 21.281 -1.496 573 3HG2 VAL 80 3HG2 VAL 80 -9.495 19.906 -0.399 574 H MET 81 H MET 81 -4.710 19.510 -0.797 575 HA MET 81 HA MET 81 -5.344 17.430 -2.663 576 1HB MET 81 1HB MET 81 -2.666 17.048 -2.041 577 2HB MET 81 2HB MET 81 -2.918 18.749 -1.653 578 1HG MET 81 1HG MET 81 -3.367 19.320 -3.842 579 2HG MET 81 2HG MET 81 -4.066 17.746 -4.220 580 1HE MET 81 1HE MET 81 0.310 18.635 -3.443 581 2HE MET 81 2HE MET 81 -1.136 19.449 -2.852 582 3HE MET 81 3HE MET 81 -0.521 19.820 -4.461 583 H MET 82 H MET 82 -4.126 17.371 0.691 584 HA MET 82 HA MET 82 -3.944 14.454 0.765 585 1HB MET 82 1HB MET 82 -4.273 16.159 3.225 586 2HB MET 82 2HB MET 82 -2.776 16.250 2.300 587 1HG MET 82 1HG MET 82 -2.732 13.680 2.444 588 2HG MET 82 2HG MET 82 -3.975 13.845 3.684 589 1HE MET 82 1HE MET 82 -0.103 13.140 4.797 590 2HE MET 82 2HE MET 82 -0.033 13.821 3.173 591 3HE MET 82 3HE MET 82 -1.227 12.580 3.550 592 H VAL 83 H VAL 83 -6.359 16.896 1.485 593 HA VAL 83 HA VAL 83 -8.235 15.200 2.861 594 HB VAL 83 HB VAL 83 -8.297 17.903 1.531 595 1HG1 VAL 83 1HG1 VAL 83 -10.471 17.095 0.958 596 2HG1 VAL 83 2HG1 VAL 83 -10.686 18.075 2.407 597 3HG1 VAL 83 3HG1 VAL 83 -10.674 16.315 2.527 598 1HG2 VAL 83 1HG2 VAL 83 -7.506 17.182 3.980 599 2HG2 VAL 83 2HG2 VAL 83 -9.234 17.313 4.309 600 3HG2 VAL 83 3HG2 VAL 83 -8.345 18.706 3.695 601 NH1 ARG 84 NH1 ARG 84 -5.360 15.719 -6.953 602 NH2 ARG 84 NH2 ARG 84 -4.277 15.293 -5.009 603 H ARG 84 H ARG 84 -7.514 15.749 -0.541 604 HA ARG 84 HA ARG 84 -10.012 14.323 -1.330 605 1HB ARG 84 1HB ARG 84 -9.502 16.495 -2.435 606 2HB ARG 84 2HB ARG 84 -9.590 15.156 -3.577 607 1HG ARG 84 1HG ARG 84 -6.919 15.162 -2.822 608 2HG ARG 84 2HG ARG 84 -7.315 16.877 -2.886 609 1HD ARG 84 1HD ARG 84 -7.285 16.831 -5.136 610 2HD ARG 84 2HD ARG 84 -8.494 15.548 -5.152 611 HE ARG 84 HE ARG 84 -6.648 13.912 -5.065 612 1HH1 ARG 84 1HH1 ARG 84 -3.420 15.611 -5.415 613 2HH1 ARG 84 2HH1 ARG 84 -4.291 14.972 -4.062 614 1HH2 ARG 84 1HH2 ARG 84 -6.202 15.723 -7.493 615 2HH2 ARG 84 2HH2 ARG 84 -4.505 16.041 -7.360 616 H GLN 85 H GLN 85 -7.134 13.296 -0.376 617 HA GLN 85 HA GLN 85 -6.798 11.324 -2.598 618 1HB GLN 85 1HB GLN 85 -4.534 10.982 -1.225 619 2HB GLN 85 2HB GLN 85 -4.885 12.633 -0.714 620 1HG GLN 85 1HG GLN 85 -4.986 13.373 -3.032 621 2HG GLN 85 2HG GLN 85 -4.794 11.716 -3.604 622 1HE2 GLN 85 1HE2 GLN 85 -3.102 14.488 -2.233 623 2HE2 GLN 85 2HE2 GLN 85 -1.543 13.843 -2.384 624 H MET 86 H MET 86 -7.356 11.708 0.857 625 HA MET 86 HA MET 86 -7.074 8.811 1.361 626 1HB MET 86 1HB MET 86 -8.120 10.873 3.301 627 2HB MET 86 2HB MET 86 -6.398 10.699 2.977 628 1HG MET 86 1HG MET 86 -7.034 8.106 3.413 629 2HG MET 86 2HG MET 86 -8.250 8.880 4.427 630 1HE MET 86 1HE MET 86 -7.955 10.382 6.180 631 2HE MET 86 2HE MET 86 -6.824 11.567 5.532 632 3HE MET 86 3HE MET 86 -6.479 10.779 7.070 633 H LYS 87 H LYS 87 -9.600 10.905 0.324 634 HA LYS 87 HA LYS 87 -11.774 9.446 1.627 635 1HB LYS 87 1HB LYS 87 -13.186 10.802 -0.042 636 2HB LYS 87 2HB LYS 87 -11.673 11.572 -0.521 637 1HG LYS 87 1HG LYS 87 -11.306 12.136 1.920 638 2HG LYS 87 2HG LYS 87 -12.944 11.564 2.231 639 1HD LYS 87 1HD LYS 87 -12.323 13.688 0.164 640 2HD LYS 87 2HD LYS 87 -12.688 14.082 1.843 641 1HE LYS 87 1HE LYS 87 -14.516 12.379 0.127 642 2HE LYS 87 2HE LYS 87 -14.671 14.132 0.233 643 1HZ LYS 87 1HZ LYS 87 -14.963 12.148 2.412 644 2HZ LYS 87 2HZ LYS 87 -16.117 13.255 1.839 645 3HZ LYS 87 3HZ LYS 87 -14.769 13.805 2.713 646 H GLU 88 H GLU 88 -12.590 9.891 -1.659 647 HA GLU 88 HA GLU 88 -12.710 6.982 -2.060 648 1HB GLU 88 1HB GLU 88 -13.426 9.022 -4.156 649 2HB GLU 88 2HB GLU 88 -14.472 8.796 -2.756 650 1HG GLU 88 1HG GLU 88 -15.405 7.061 -3.853 651 2HG GLU 88 2HG GLU 88 -13.884 6.196 -3.633 652 H ASP 89 H ASP 89 -10.794 9.708 -3.173 653 HA ASP 89 HA ASP 89 -9.621 8.674 -5.512 654 1HB ASP 89 1HB ASP 89 -8.203 10.314 -3.396 655 2HB ASP 89 2HB ASP 89 -9.322 10.988 -4.579 656 H ALA 90 H ALA 90 -8.941 7.828 -2.142 657 HA ALA 90 HA ALA 90 -6.410 6.559 -2.516 658 1HB ALA 90 1HB ALA 90 -7.092 6.927 -0.270 659 2HB ALA 90 2HB ALA 90 -7.163 5.178 -0.474 660 3HB ALA 90 3HB ALA 90 -8.645 6.132 -0.525 661 H LYS 91 H LYS 91 -6.302 5.219 -4.320 662 HA LYS 91 HA LYS 91 -8.360 3.293 -5.003 663 1HB LYS 91 1HB LYS 91 -5.472 3.188 -5.906 664 2HB LYS 91 2HB LYS 91 -6.626 4.336 -6.584 665 1HG LYS 91 1HG LYS 91 -7.848 2.687 -7.646 666 2HG LYS 91 2HG LYS 91 -7.447 1.465 -6.438 667 1HD LYS 91 1HD LYS 91 -5.036 1.628 -7.344 668 2HD LYS 91 2HD LYS 91 -5.742 2.483 -8.717 669 1HE LYS 91 1HE LYS 91 -6.823 0.602 -9.503 670 2HE LYS 91 2HE LYS 91 -7.026 -0.083 -7.891 671 1HZ LYS 91 1HZ LYS 91 -5.408 -1.326 -9.178 672 2HZ LYS 91 2HZ LYS 91 -4.667 -0.586 -7.840 673 3HZ LYS 91 3HZ LYS 91 -4.470 0.071 -9.395 674 H GLY 92 H GLY 92 -4.972 2.743 -3.954 675 1HA GLY 92 1HA GLY 92 -4.905 0.081 -3.429 676 2HA GLY 92 2HA GLY 92 -5.860 0.667 -2.066 677 H LYS 93 H LYS 93 -4.526 3.175 -1.692 678 HA LYS 93 HA LYS 93 -1.687 2.930 -1.528 679 1HB LYS 93 1HB LYS 93 -2.715 5.116 -1.428 680 2HB LYS 93 2HB LYS 93 -1.868 4.840 0.085 681 1HG LYS 93 1HG LYS 93 -4.111 4.016 1.022 682 2HG LYS 93 2HG LYS 93 -4.841 4.715 -0.423 683 1HD LYS 93 1HD LYS 93 -2.953 6.381 1.213 684 2HD LYS 93 2HD LYS 93 -4.608 6.159 1.779 685 1HE LYS 93 1HE LYS 93 -5.251 7.782 0.356 686 2HE LYS 93 2HE LYS 93 -4.800 6.731 -0.984 687 1HZ LYS 93 1HZ LYS 93 -2.540 7.585 -0.840 688 2HZ LYS 93 2HZ LYS 93 -2.991 8.612 0.435 689 3HZ LYS 93 3HZ LYS 93 -3.647 8.840 -1.115 690 H SER 94 H SER 94 -4.260 1.957 0.713 691 HA SER 94 HA SER 94 -2.508 1.444 2.960 692 1HB SER 94 1HB SER 94 -4.892 1.727 3.340 693 2HB SER 94 2HB SER 94 -4.441 0.094 3.820 694 HG SER 94 HG SER 94 -5.519 -0.728 2.200 695 H GLU 95 H GLU 95 -3.494 -0.422 0.134 696 HA GLU 95 HA GLU 95 -2.613 -3.000 1.072 697 1HB GLU 95 1HB GLU 95 -2.622 -3.603 -1.354 698 2HB GLU 95 2HB GLU 95 -2.916 -1.909 -1.742 699 1HG GLU 95 1HG GLU 95 -5.041 -1.939 -0.618 700 2HG GLU 95 2HG GLU 95 -4.712 -3.519 0.093 701 H GLU 96 H GLU 96 -0.858 -0.210 -0.046 702 HA GLU 96 HA GLU 96 1.440 -1.379 -1.206 703 1HB GLU 96 1HB GLU 96 1.617 0.996 0.648 704 2HB GLU 96 2HB GLU 96 0.820 1.125 -0.921 705 1HG GLU 96 1HG GLU 96 2.813 0.615 -2.098 706 2HG GLU 96 2HG GLU 96 3.596 -0.038 -0.659 707 H GLU 97 H GLU 97 0.551 -1.064 2.214 708 HA GLU 97 HA GLU 97 3.059 -1.683 3.394 709 1HB GLU 97 1HB GLU 97 0.419 -2.683 4.476 710 2HB GLU 97 2HB GLU 97 0.856 -0.976 4.540 711 1HG GLU 97 1HG GLU 97 2.503 -1.318 6.110 712 2HG GLU 97 2HG GLU 97 2.903 -2.922 5.494 713 H LEU 98 H LEU 98 0.371 -3.918 2.567 714 HA LEU 98 HA LEU 98 1.898 -6.302 3.152 715 1HB LEU 98 1HB LEU 98 0.023 -7.317 1.589 716 2HB LEU 98 2HB LEU 98 -0.701 -5.721 1.764 717 HG LEU 98 HG LEU 98 0.258 -7.216 4.195 718 1HD1 LEU 98 1HD1 LEU 98 -1.812 -5.091 3.595 719 2HD1 LEU 98 2HD1 LEU 98 -0.375 -4.948 4.606 720 3HD1 LEU 98 3HD1 LEU 98 -1.738 -5.928 5.145 721 1HD2 LEU 98 1HD2 LEU 98 -1.177 -8.822 3.069 722 2HD2 LEU 98 2HD2 LEU 98 -2.382 -7.578 2.743 723 3HD2 LEU 98 3HD2 LEU 98 -2.090 -8.108 4.398 724 H ALA 99 H ALA 99 1.553 -4.275 0.291 725 HA ALA 99 HA ALA 99 2.470 -6.125 -1.681 726 1HB ALA 99 1HB ALA 99 3.021 -3.147 -1.666 727 2HB ALA 99 2HB ALA 99 1.452 -3.832 -2.089 728 3HB ALA 99 3HB ALA 99 2.871 -4.206 -3.068 729 H ASN 100 H ASN 100 4.220 -4.073 0.618 730 HA ASN 100 HA ASN 100 6.844 -4.491 -0.498 731 1HB ASN 100 1HB ASN 100 7.433 -3.997 2.066 732 2HB ASN 100 2HB ASN 100 5.745 -3.486 2.100 733 1HD2 ASN 100 1HD2 ASN 100 5.212 -1.488 1.065 734 2HD2 ASN 100 2HD2 ASN 100 6.357 -0.515 0.275 735 H CYS 101 H CYS 101 5.124 -6.038 2.249 736 HA CYS 101 HA CYS 101 7.142 -8.017 2.765 737 1HB CYS 101 1HB CYS 101 5.139 -9.284 3.799 738 2HB CYS 101 2HB CYS 101 4.181 -7.869 3.359 739 HG CYS 101 HG CYS 101 5.431 -6.460 5.054 740 H PHE 102 H PHE 102 4.316 -7.935 0.633 741 HA PHE 102 HA PHE 102 4.252 -10.635 -0.213 742 1HB PHE 102 1HB PHE 102 3.659 -8.108 -1.795 743 2HB PHE 102 2HB PHE 102 2.509 -8.991 -0.794 744 HD1 PHE 102 HD1 PHE 102 2.052 -11.463 -1.397 745 HD2 PHE 102 HD2 PHE 102 3.975 -8.690 -4.054 746 HE1 PHE 102 HE1 PHE 102 1.497 -12.920 -3.322 747 HE2 PHE 102 HE2 PHE 102 3.420 -10.151 -5.978 748 HZ PHE 102 HZ PHE 102 2.174 -12.267 -5.610 749 NH1 ARG 103 NH1 ARG 103 8.158 -5.790 -7.726 750 NH2 ARG 103 NH2 ARG 103 9.917 -4.361 -7.641 751 H ARG 103 H ARG 103 6.012 -7.862 -1.672 752 HA ARG 103 HA ARG 103 7.344 -9.427 -3.678 753 1HB ARG 103 1HB ARG 103 8.427 -6.889 -2.440 754 2HB ARG 103 2HB ARG 103 7.101 -6.885 -3.603 755 1HG ARG 103 1HG ARG 103 8.549 -8.068 -5.232 756 2HG ARG 103 2HG ARG 103 9.875 -8.031 -4.069 757 1HD ARG 103 1HD ARG 103 10.134 -5.711 -4.249 758 2HD ARG 103 2HD ARG 103 8.493 -5.475 -4.849 759 HE ARG 103 HE ARG 103 10.615 -6.772 -6.517 760 1HH1 ARG 103 1HH1 ARG 103 9.495 -3.796 -8.351 761 2HH1 ARG 103 2HH1 ARG 103 10.801 -4.095 -7.254 762 1HH2 ARG 103 1HH2 ARG 103 7.698 -6.617 -7.403 763 2HH2 ARG 103 2HH2 ARG 103 7.733 -5.227 -8.436 764 H ILE 104 H ILE 104 8.212 -8.620 -0.330 765 HA ILE 104 HA ILE 104 10.915 -9.559 -0.421 766 HB ILE 104 HB ILE 104 8.935 -9.442 1.877 767 1HG1 ILE 104 1HG1 ILE 104 9.767 -7.313 0.611 768 2HG1 ILE 104 2HG1 ILE 104 11.305 -7.634 1.411 769 1HG2 ILE 104 1HG2 ILE 104 10.587 -10.995 2.582 770 2HG2 ILE 104 2HG2 ILE 104 11.123 -9.450 3.243 771 3HG2 ILE 104 3HG2 ILE 104 11.884 -10.099 1.791 772 1HD1 ILE 104 1HD1 ILE 104 9.223 -6.198 2.511 773 2HD1 ILE 104 2HD1 ILE 104 10.515 -6.968 3.433 774 3HD1 ILE 104 3HD1 ILE 104 8.977 -7.801 3.207 775 H PHE 105 H PHE 105 7.858 -11.276 -0.307 776 HA PHE 105 HA PHE 105 9.030 -13.780 0.628 777 1HB PHE 105 1HB PHE 105 6.737 -14.664 -0.242 778 2HB PHE 105 2HB PHE 105 6.331 -12.957 -0.408 779 HD1 PHE 105 HD1 PHE 105 5.272 -11.975 1.413 780 HD2 PHE 105 HD2 PHE 105 8.028 -15.199 2.094 781 HE1 PHE 105 HE1 PHE 105 4.816 -11.852 3.847 782 HE2 PHE 105 HE2 PHE 105 7.572 -15.074 4.527 783 HZ PHE 105 HZ PHE 105 5.966 -13.401 5.404 784 H ASP 106 H ASP 106 8.421 -12.296 -2.543 785 HA ASP 106 HA ASP 106 9.155 -14.877 -3.834 786 1HB ASP 106 1HB ASP 106 7.398 -14.025 -5.097 787 2HB ASP 106 2HB ASP 106 8.785 -13.425 -5.995 788 H LYS 107 H LYS 107 11.339 -15.123 -3.585 789 HA LYS 107 HA LYS 107 13.229 -12.943 -3.803 790 1HB LYS 107 1HB LYS 107 13.559 -15.166 -2.565 791 2HB LYS 107 2HB LYS 107 14.926 -14.573 -3.507 792 1HG LYS 107 1HG LYS 107 14.307 -16.064 -5.366 793 2HG LYS 107 2HG LYS 107 12.910 -16.635 -4.456 794 1HD LYS 107 1HD LYS 107 14.422 -18.290 -3.892 795 2HD LYS 107 2HD LYS 107 14.790 -17.128 -2.618 796 1HE LYS 107 1HE LYS 107 16.920 -17.571 -3.461 797 2HE LYS 107 2HE LYS 107 16.466 -16.153 -4.407 798 1HZ LYS 107 1HZ LYS 107 16.123 -18.974 -5.279 799 2HZ LYS 107 2HZ LYS 107 17.360 -17.933 -5.796 800 3HZ LYS 107 3HZ LYS 107 15.743 -17.596 -6.190 801 H ASN 108 H ASN 108 11.500 -14.641 -6.197 802 HA ASN 108 HA ASN 108 13.599 -14.444 -8.253 803 1HB ASN 108 1HB ASN 108 11.722 -15.240 -9.765 804 2HB ASN 108 2HB ASN 108 10.696 -15.314 -8.335 805 1HD2 ASN 108 1HD2 ASN 108 11.451 -17.648 -9.926 806 2HD2 ASN 108 2HD2 ASN 108 12.379 -18.661 -8.928 807 H ALA 109 H ALA 109 11.009 -12.495 -6.997 808 HA ALA 109 HA ALA 109 10.187 -10.401 -7.607 809 1HB ALA 109 1HB ALA 109 12.937 -10.462 -8.786 810 2HB ALA 109 2HB ALA 109 12.269 -9.398 -7.550 811 3HB ALA 109 3HB ALA 109 11.861 -9.143 -9.246 812 H ASP 110 H ASP 110 8.924 -12.357 -8.936 813 HA ASP 110 HA ASP 110 8.854 -11.491 -11.799 814 1HB ASP 110 1HB ASP 110 7.422 -13.707 -11.934 815 2HB ASP 110 2HB ASP 110 8.255 -14.096 -10.430 816 H GLY 111 H GLY 111 6.925 -11.909 -8.868 817 1HA GLY 111 1HA GLY 111 4.493 -10.984 -10.312 818 2HA GLY 111 2HA GLY 111 5.078 -10.032 -8.951 819 H PHE 112 H PHE 112 5.428 -13.524 -8.874 820 HA PHE 112 HA PHE 112 3.357 -13.601 -6.723 821 1HB PHE 112 1HB PHE 112 2.385 -15.595 -7.561 822 2HB PHE 112 2HB PHE 112 3.720 -15.880 -8.671 823 HD1 PHE 112 HD1 PHE 112 3.634 -15.060 -10.893 824 HD2 PHE 112 HD2 PHE 112 0.923 -13.511 -7.943 825 HE1 PHE 112 HE1 PHE 112 2.425 -13.808 -12.659 826 HE2 PHE 112 HE2 PHE 112 -0.286 -12.261 -9.709 827 HZ PHE 112 HZ PHE 112 0.464 -12.409 -12.067 828 H ILE 113 H ILE 113 3.689 -15.323 -5.172 829 HA ILE 113 HA ILE 113 6.565 -15.997 -4.830 830 HB ILE 113 HB ILE 113 4.166 -16.217 -2.977 831 1HG1 ILE 113 1HG1 ILE 113 6.487 -14.321 -3.274 832 2HG1 ILE 113 2HG1 ILE 113 5.792 -14.596 -1.679 833 1HG2 ILE 113 1HG2 ILE 113 5.604 -18.036 -2.381 834 2HG2 ILE 113 2HG2 ILE 113 5.961 -16.740 -1.240 835 3HG2 ILE 113 3HG2 ILE 113 7.054 -17.050 -2.590 836 1HD1 ILE 113 1HD1 ILE 113 3.514 -14.213 -3.018 837 2HD1 ILE 113 2HD1 ILE 113 4.586 -13.291 -4.073 838 3HD1 ILE 113 3HD1 ILE 113 4.444 -12.862 -2.368 839 H ASP 114 H ASP 114 7.291 -18.170 -4.702 840 HA ASP 114 HA ASP 114 5.392 -20.184 -5.815 841 1HB ASP 114 1HB ASP 114 7.295 -21.418 -6.550 842 2HB ASP 114 2HB ASP 114 8.380 -20.507 -5.505 843 H ILE 115 H ILE 115 5.331 -22.321 -4.879 844 HA ILE 115 HA ILE 115 5.214 -22.351 -2.009 845 HB ILE 115 HB ILE 115 3.814 -23.847 -3.352 846 1HG1 ILE 115 1HG1 ILE 115 5.816 -25.524 -1.827 847 2HG1 ILE 115 2HG1 ILE 115 4.110 -25.880 -2.088 848 1HG2 ILE 115 1HG2 ILE 115 4.667 -25.606 -4.711 849 2HG2 ILE 115 2HG2 ILE 115 6.298 -25.409 -4.069 850 3HG2 ILE 115 3HG2 ILE 115 5.618 -24.185 -5.140 851 1HD1 ILE 115 1HD1 ILE 115 3.616 -23.702 -0.845 852 2HD1 ILE 115 2HD1 ILE 115 5.316 -23.699 -0.375 853 3HD1 ILE 115 3HD1 ILE 115 4.263 -25.019 0.134 854 H GLU 116 H GLU 116 7.555 -23.563 -4.346 855 HA GLU 116 HA GLU 116 9.318 -24.868 -2.512 856 1HB GLU 116 1HB GLU 116 9.506 -25.237 -4.926 857 2HB GLU 116 2HB GLU 116 11.035 -24.621 -4.301 858 1HG GLU 116 1HG GLU 116 10.415 -22.342 -5.046 859 2HG GLU 116 2HG GLU 116 8.891 -22.965 -5.676 860 H GLU 117 H GLU 117 9.097 -21.488 -3.579 861 HA GLU 117 HA GLU 117 11.522 -20.587 -2.331 862 1HB GLU 117 1HB GLU 117 9.424 -18.567 -2.349 863 2HB GLU 117 2HB GLU 117 9.486 -19.430 -3.885 864 1HG GLU 117 1HG GLU 117 11.014 -17.581 -4.061 865 2HG GLU 117 2HG GLU 117 11.996 -19.036 -3.882 866 H LEU 118 H LEU 118 8.149 -20.805 -1.179 867 HA LEU 118 HA LEU 118 8.634 -19.542 1.365 868 1HB LEU 118 1HB LEU 118 6.509 -21.633 0.889 869 2HB LEU 118 2HB LEU 118 6.374 -20.014 0.202 870 HG LEU 118 HG LEU 118 7.014 -20.314 3.122 871 1HD1 LEU 118 1HD1 LEU 118 5.183 -18.321 1.796 872 2HD1 LEU 118 2HD1 LEU 118 6.933 -18.123 1.708 873 3HD1 LEU 118 3HD1 LEU 118 6.127 -18.142 3.276 874 1HD2 LEU 118 1HD2 LEU 118 4.274 -20.595 1.849 875 2HD2 LEU 118 2HD2 LEU 118 4.534 -20.264 3.562 876 3HD2 LEU 118 3HD2 LEU 118 5.100 -21.781 2.861 877 H GLY 119 H GLY 119 9.080 -22.845 0.214 878 1HA GLY 119 1HA GLY 119 10.056 -24.703 1.253 879 2HA GLY 119 2HA GLY 119 9.164 -24.221 2.692 880 H GLU 120 H GLU 120 11.897 -22.758 0.865 881 HA GLU 120 HA GLU 120 13.811 -23.230 2.976 882 1HB GLU 120 1HB GLU 120 15.095 -21.357 1.718 883 2HB GLU 120 2HB GLU 120 13.786 -21.453 0.537 884 1HG GLU 120 1HG GLU 120 14.223 -23.899 0.309 885 2HG GLU 120 2HG GLU 120 15.577 -23.739 1.427 886 H ILE 121 H ILE 121 11.665 -20.509 2.181 887 HA ILE 121 HA ILE 121 12.776 -18.595 3.982 888 HB ILE 121 HB ILE 121 9.929 -18.981 2.999 889 1HG1 ILE 121 1HG1 ILE 121 11.896 -18.375 1.414 890 2HG1 ILE 121 2HG1 ILE 121 11.895 -16.815 2.238 891 1HG2 ILE 121 1HG2 ILE 121 11.175 -16.758 4.637 892 2HG2 ILE 121 2HG2 ILE 121 9.754 -17.724 5.037 893 3HG2 ILE 121 3HG2 ILE 121 9.682 -16.551 3.722 894 1HD1 ILE 121 1HD1 ILE 121 10.171 -17.700 0.138 895 2HD1 ILE 121 2HD1 ILE 121 10.157 -16.146 0.971 896 3HD1 ILE 121 3HD1 ILE 121 9.186 -17.485 1.585 897 H LEU 122 H LEU 122 10.355 -21.172 4.497 898 HA LEU 122 HA LEU 122 9.782 -20.437 7.234 899 1HB LEU 122 1HB LEU 122 9.053 -22.983 7.259 900 2HB LEU 122 2HB LEU 122 9.269 -22.842 5.515 901 HG LEU 122 HG LEU 122 7.859 -20.581 5.969 902 1HD1 LEU 122 1HD1 LEU 122 7.153 -23.377 5.260 903 2HD1 LEU 122 2HD1 LEU 122 6.897 -21.888 4.354 904 3HD1 LEU 122 3HD1 LEU 122 5.801 -22.321 5.665 905 1HD2 LEU 122 1HD2 LEU 122 6.680 -22.561 7.935 906 2HD2 LEU 122 2HD2 LEU 122 6.208 -20.882 7.674 907 3HD2 LEU 122 3HD2 LEU 122 7.752 -21.254 8.440 908 NH1 ARG 123 NH1 ARG 123 16.230 -28.489 9.590 909 NH2 ARG 123 NH2 ARG 123 15.139 -27.472 11.300 910 H ARG 123 H ARG 123 11.890 -22.977 5.815 911 HA ARG 123 HA ARG 123 12.900 -23.838 8.385 912 1HB ARG 123 1HB ARG 123 14.806 -24.449 6.363 913 2HB ARG 123 2HB ARG 123 13.209 -24.606 5.633 914 1HG ARG 123 1HG ARG 123 13.666 -26.738 6.596 915 2HG ARG 123 2HG ARG 123 12.562 -25.952 7.726 916 1HD ARG 123 1HD ARG 123 14.538 -25.209 9.068 917 2HD ARG 123 2HD ARG 123 15.584 -26.111 7.973 918 HE ARG 123 HE ARG 123 13.494 -27.794 9.070 919 1HH1 ARG 123 1HH1 ARG 123 15.826 -27.813 11.943 920 2HH1 ARG 123 2HH1 ARG 123 14.379 -26.913 11.631 921 1HH2 ARG 123 1HH2 ARG 123 16.303 -28.706 8.617 922 2HH2 ARG 123 2HH2 ARG 123 16.919 -28.831 10.231 923 H ALA 124 H ALA 124 13.887 -21.319 6.127 924 HA ALA 124 HA ALA 124 16.562 -20.905 6.892 925 1HB ALA 124 1HB ALA 124 15.777 -19.631 5.067 926 2HB ALA 124 2HB ALA 124 16.037 -18.439 6.340 927 3HB ALA 124 3HB ALA 124 14.405 -19.003 5.982 928 H THR 125 H THR 125 13.603 -19.785 8.566 929 HA THR 125 HA THR 125 14.969 -18.088 10.436 930 HB THR 125 HB THR 125 12.542 -17.922 10.070 931 HG1 THR 125 HG1 THR 125 12.273 -17.316 12.068 932 1HG2 THR 125 1HG2 THR 125 11.639 -20.051 11.761 933 2HG2 THR 125 2HG2 THR 125 12.631 -20.738 10.474 934 3HG2 THR 125 3HG2 THR 125 11.232 -19.741 10.074 935 H GLY 126 H GLY 126 14.539 -21.571 10.351 936 1HA GLY 126 1HA GLY 126 16.167 -21.740 12.839 937 2HA GLY 126 2HA GLY 126 16.026 -23.008 11.626 938 H GLU 127 H GLU 127 12.996 -21.589 12.359 939 HA GLU 127 HA GLU 127 12.299 -23.009 14.742 940 1HB GLU 127 1HB GLU 127 10.064 -22.626 12.895 941 2HB GLU 127 2HB GLU 127 11.040 -21.168 13.074 942 1HG GLU 127 1HG GLU 127 10.894 -21.505 15.582 943 2HG GLU 127 2HG GLU 127 9.711 -22.777 15.272 944 H HIS 128 H HIS 128 10.698 -24.828 14.832 945 HA HIS 128 HA HIS 128 11.447 -26.893 12.836 946 1HB HIS 128 1HB HIS 128 11.807 -27.648 15.082 947 2HB HIS 128 2HB HIS 128 10.374 -28.487 14.501 948 HD1 HIS 128 HD1 HIS 128 8.140 -27.985 15.659 949 HD2 HIS 128 HD2 HIS 128 11.263 -25.595 17.046 950 HE1 HIS 128 HE1 HIS 128 7.272 -26.796 17.719 951 H VAL 129 H VAL 129 10.041 -25.930 11.188 952 HA VAL 129 HA VAL 129 7.137 -25.995 11.643 953 HB VAL 129 HB VAL 129 8.105 -24.261 10.196 954 1HG1 VAL 129 1HG1 VAL 129 8.939 -24.946 7.917 955 2HG1 VAL 129 2HG1 VAL 129 8.947 -26.616 8.486 956 3HG1 VAL 129 3HG1 VAL 129 10.000 -25.421 9.242 957 1HG2 VAL 129 1HG2 VAL 129 6.471 -26.163 8.507 958 2HG2 VAL 129 2HG2 VAL 129 6.508 -24.402 8.417 959 3HG2 VAL 129 3HG2 VAL 129 5.781 -25.198 9.812 960 H ILE 130 H ILE 130 5.699 -27.322 10.334 961 HA ILE 130 HA ILE 130 6.906 -29.985 9.721 962 HB ILE 130 HB ILE 130 4.265 -30.526 9.751 963 1HG1 ILE 130 1HG1 ILE 130 3.862 -28.042 10.347 964 2HG1 ILE 130 2HG1 ILE 130 4.499 -28.454 11.940 965 1HG2 ILE 130 1HG2 ILE 130 6.047 -30.280 12.193 966 2HG2 ILE 130 2HG2 ILE 130 5.995 -31.650 11.085 967 3HG2 ILE 130 3HG2 ILE 130 4.595 -31.275 12.089 968 1HD1 ILE 130 1HD1 ILE 130 2.775 -30.408 11.866 969 2HD1 ILE 130 2HD1 ILE 130 2.011 -29.480 10.576 970 3HD1 ILE 130 3HD1 ILE 130 2.175 -28.781 12.186 971 H GLU 131 H GLU 131 6.678 -30.856 7.687 972 HA GLU 131 HA GLU 131 5.979 -29.132 5.505 973 1HB GLU 131 1HB GLU 131 7.575 -30.894 5.108 974 2HB GLU 131 2HB GLU 131 6.156 -31.233 4.129 975 1HG GLU 131 1HG GLU 131 5.699 -33.157 5.242 976 2HG GLU 131 2HG GLU 131 6.038 -32.436 6.812 977 H GLU 132 H GLU 132 4.082 -31.225 7.535 978 HA GLU 132 HA GLU 132 1.874 -31.624 5.707 979 1HB GLU 132 1HB GLU 132 0.678 -31.857 8.098 980 2HB GLU 132 2HB GLU 132 2.352 -31.982 8.638 981 1HG GLU 132 1HG GLU 132 2.753 -33.855 7.156 982 2HG GLU 132 2HG GLU 132 1.170 -33.658 6.404 983 H ASP 133 H ASP 133 2.828 -29.097 8.001 984 HA ASP 133 HA ASP 133 0.262 -27.689 7.793 985 1HB ASP 133 1HB ASP 133 2.912 -26.677 8.869 986 2HB ASP 133 2HB ASP 133 1.738 -27.580 9.825 987 H ILE 134 H ILE 134 3.544 -27.317 6.433 988 HA ILE 134 HA ILE 134 2.975 -24.859 5.031 989 HB ILE 134 HB ILE 134 5.075 -26.964 4.402 990 1HG1 ILE 134 1HG1 ILE 134 5.070 -25.968 6.763 991 2HG1 ILE 134 2HG1 ILE 134 5.404 -24.413 6.004 992 1HG2 ILE 134 1HG2 ILE 134 6.255 -25.012 3.370 993 2HG2 ILE 134 2HG2 ILE 134 4.815 -24.034 3.654 994 3HG2 ILE 134 3HG2 ILE 134 4.744 -25.408 2.551 995 1HD1 ILE 134 1HD1 ILE 134 7.325 -25.792 4.794 996 2HD1 ILE 134 2HD1 ILE 134 7.142 -26.849 6.194 997 3HD1 ILE 134 3HD1 ILE 134 7.568 -25.153 6.420 998 H GLU 135 H GLU 135 3.032 -28.280 3.955 999 HA GLU 135 HA GLU 135 2.270 -27.710 1.242 1000 1HB GLU 135 1HB GLU 135 1.501 -30.308 2.511 1001 2HB GLU 135 2HB GLU 135 3.216 -29.910 2.411 1002 1HG GLU 135 1HG GLU 135 2.811 -29.402 -0.062 1003 2HG GLU 135 2HG GLU 135 1.230 -30.156 0.139 1004 H ASP 136 H ASP 136 0.320 -28.797 4.054 1005 HA ASP 136 HA ASP 136 -2.182 -28.850 2.686 1006 1HB ASP 136 1HB ASP 136 -1.865 -28.166 5.612 1007 2HB ASP 136 2HB ASP 136 -1.628 -29.804 4.998 1008 H LEU 137 H LEU 137 -0.415 -26.173 4.182 1009 HA LEU 137 HA LEU 137 -2.595 -24.305 4.243 1010 1HB LEU 137 1HB LEU 137 0.334 -23.633 3.869 1011 2HB LEU 137 2HB LEU 137 -0.362 -24.074 5.428 1012 HG LEU 137 HG LEU 137 -1.731 -21.934 3.854 1013 1HD1 LEU 137 1HD1 LEU 137 -2.005 -21.028 6.185 1014 2HD1 LEU 137 2HD1 LEU 137 -1.138 -22.442 6.786 1015 3HD1 LEU 137 3HD1 LEU 137 -2.689 -22.639 5.970 1016 1HD2 LEU 137 1HD2 LEU 137 -0.180 -20.238 4.800 1017 2HD2 LEU 137 2HD2 LEU 137 0.639 -21.312 3.668 1018 3HD2 LEU 137 3HD2 LEU 137 0.849 -21.537 5.404 1019 H MET 138 H MET 138 -0.124 -25.016 1.762 1020 HA MET 138 HA MET 138 -0.998 -22.949 -0.056 1021 1HB MET 138 1HB MET 138 0.394 -25.485 -0.915 1022 2HB MET 138 2HB MET 138 1.254 -24.233 -0.019 1023 1HG MET 138 1HG MET 138 -0.289 -23.718 -2.579 1024 2HG MET 138 2HG MET 138 1.447 -24.022 -2.526 1025 1HE MET 138 1HE MET 138 2.626 -20.625 -2.656 1026 2HE MET 138 2HE MET 138 2.276 -22.117 -3.525 1027 3HE MET 138 3HE MET 138 3.230 -22.171 -2.045 1028 H LYS 139 H LYS 139 -1.617 -26.487 0.036 1029 HA LYS 139 HA LYS 139 -3.329 -26.491 -2.270 1030 1HB LYS 139 1HB LYS 139 -2.326 -28.563 -1.452 1031 2HB LYS 139 2HB LYS 139 -4.082 -28.716 -1.455 1032 1HG LYS 139 1HG LYS 139 -3.597 -27.711 1.065 1033 2HG LYS 139 2HG LYS 139 -2.195 -28.744 0.806 1034 1HD LYS 139 1HD LYS 139 -4.800 -29.899 -0.014 1035 2HD LYS 139 2HD LYS 139 -4.590 -29.657 1.720 1036 1HE LYS 139 1HE LYS 139 -2.701 -31.073 1.806 1037 2HE LYS 139 2HE LYS 139 -2.439 -30.978 0.065 1038 1HZ LYS 139 1HZ LYS 139 -4.710 -32.327 1.426 1039 2HZ LYS 139 2HZ LYS 139 -3.408 -33.090 0.645 1040 3HZ LYS 139 3HZ LYS 139 -4.529 -32.185 -0.255 1041 H ASP 140 H ASP 140 -3.969 -25.758 1.124 1042 HA ASP 140 HA ASP 140 -6.882 -25.894 0.789 1043 1HB ASP 140 1HB ASP 140 -5.490 -24.480 3.057 1044 2HB ASP 140 2HB ASP 140 -5.496 -26.242 2.974 1045 H SER 141 H SER 141 -4.371 -23.385 0.796 1046 HA SER 141 HA SER 141 -6.317 -21.200 0.622 1047 1HB SER 141 1HB SER 141 -4.232 -19.822 0.184 1048 2HB SER 141 2HB SER 141 -3.305 -21.310 0.352 1049 HG SER 141 HG SER 141 -3.619 -21.307 2.427 1050 H ASP 142 H ASP 142 -5.061 -23.421 -1.656 1051 HA ASP 142 HA ASP 142 -4.890 -21.632 -3.925 1052 1HB ASP 142 1HB ASP 142 -5.374 -24.186 -4.910 1053 2HB ASP 142 2HB ASP 142 -4.564 -24.484 -3.379 1054 H LYS 143 H LYS 143 -6.719 -20.543 -4.503 1055 HA LYS 143 HA LYS 143 -9.394 -21.615 -4.126 1056 1HB LYS 143 1HB LYS 143 -9.956 -19.562 -5.646 1057 2HB LYS 143 2HB LYS 143 -8.255 -19.151 -5.429 1058 1HG LYS 143 1HG LYS 143 -9.026 -19.747 -2.857 1059 2HG LYS 143 2HG LYS 143 -10.488 -19.007 -3.508 1060 1HD LYS 143 1HD LYS 143 -7.749 -17.755 -3.825 1061 2HD LYS 143 2HD LYS 143 -8.793 -17.406 -2.447 1062 1HE LYS 143 1HE LYS 143 -9.892 -17.166 -5.237 1063 2HE LYS 143 2HE LYS 143 -8.895 -15.868 -4.583 1064 1HZ LYS 143 1HZ LYS 143 -10.386 -15.722 -2.687 1065 2HZ LYS 143 2HZ LYS 143 -11.347 -16.973 -3.319 1066 3HZ LYS 143 3HZ LYS 143 -11.235 -15.488 -4.137 1067 H ASN 144 H ASN 144 -7.441 -20.915 -7.062 1068 HA ASN 144 HA ASN 144 -9.244 -22.779 -8.558 1069 1HB ASN 144 1HB ASN 144 -8.114 -21.481 -10.568 1070 2HB ASN 144 2HB ASN 144 -7.806 -20.262 -9.330 1071 1HD2 ASN 144 1HD2 ASN 144 -10.021 -20.999 -11.670 1072 2HD2 ASN 144 2HD2 ASN 144 -11.423 -20.356 -10.962 1073 H ASN 145 H ASN 145 -6.605 -23.216 -6.946 1074 HA ASN 145 HA ASN 145 -4.729 -24.574 -7.119 1075 1HB ASN 145 1HB ASN 145 -5.796 -25.661 -9.717 1076 2HB ASN 145 2HB ASN 145 -6.616 -26.027 -8.200 1077 1HD2 ASN 145 1HD2 ASN 145 -5.943 -28.089 -7.551 1078 2HD2 ASN 145 2HD2 ASN 145 -4.337 -28.641 -7.583 1079 H ASP 146 H ASP 146 -3.455 -22.628 -7.558 1080 HA ASP 146 HA ASP 146 -2.575 -22.367 -10.402 1081 1HB ASP 146 1HB ASP 146 -1.451 -20.269 -8.930 1082 2HB ASP 146 2HB ASP 146 -3.071 -20.450 -8.256 1083 H GLY 147 H GLY 147 -1.486 -22.889 -7.068 1084 1HA GLY 147 1HA GLY 147 1.113 -23.859 -8.143 1085 2HA GLY 147 2HA GLY 147 0.432 -24.291 -6.575 1086 NH1 ARG 148 NH1 ARG 148 2.757 -20.283 -12.122 1087 NH2 ARG 148 NH2 ARG 148 3.671 -22.359 -12.166 1088 H ARG 148 H ARG 148 0.485 -20.974 -7.786 1089 HA ARG 148 HA ARG 148 2.645 -20.324 -5.833 1090 1HB ARG 148 1HB ARG 148 2.835 -18.221 -7.278 1091 2HB ARG 148 2HB ARG 148 1.783 -19.040 -8.427 1092 1HG ARG 148 1HG ARG 148 4.242 -20.412 -7.366 1093 2HG ARG 148 2HG ARG 148 4.366 -19.271 -8.702 1094 1HD ARG 148 1HD ARG 148 2.199 -20.879 -9.402 1095 2HD ARG 148 2HD ARG 148 3.354 -22.009 -8.695 1096 HE ARG 148 HE ARG 148 5.015 -20.785 -10.355 1097 1HH1 ARG 148 1HH1 ARG 148 2.327 -20.451 -13.009 1098 2HH1 ARG 148 2HH1 ARG 148 2.624 -19.405 -11.661 1099 1HH2 ARG 148 1HH2 ARG 148 4.234 -23.066 -11.739 1100 2HH2 ARG 148 2HH2 ARG 148 3.242 -22.531 -13.053 1101 H ILE 149 H ILE 149 2.435 -18.010 -4.986 1102 HA ILE 149 HA ILE 149 -0.419 -17.491 -4.234 1103 HB ILE 149 HB ILE 149 2.135 -16.708 -2.779 1104 1HG1 ILE 149 1HG1 ILE 149 1.363 -19.202 -2.864 1105 2HG1 ILE 149 2HG1 ILE 149 0.054 -18.666 -1.810 1106 1HG2 ILE 149 1HG2 ILE 149 -0.806 -16.337 -2.155 1107 2HG2 ILE 149 2HG2 ILE 149 0.436 -15.092 -2.281 1108 3HG2 ILE 149 3HG2 ILE 149 0.451 -16.216 -0.924 1109 1HD1 ILE 149 1HD1 ILE 149 1.983 -17.565 -0.418 1110 2HD1 ILE 149 2HD1 ILE 149 3.019 -18.699 -1.285 1111 3HD1 ILE 149 3HD1 ILE 149 1.707 -19.301 -0.271 1112 H ASP 150 H ASP 150 -1.278 -15.493 -4.741 1113 HA ASP 150 HA ASP 150 0.576 -13.542 -6.050 1114 1HB ASP 150 1HB ASP 150 -0.991 -14.062 -7.703 1115 2HB ASP 150 2HB ASP 150 -1.700 -12.625 -6.977 1116 H PHE 151 H PHE 151 -0.398 -11.204 -5.892 1117 HA PHE 151 HA PHE 151 -0.334 -10.430 -3.134 1118 1HB PHE 151 1HB PHE 151 -1.366 -8.820 -5.492 1119 2HB PHE 151 2HB PHE 151 0.331 -8.947 -5.028 1120 HD1 PHE 151 HD1 PHE 151 -2.465 -6.907 -4.762 1121 HD2 PHE 151 HD2 PHE 151 0.665 -8.565 -2.330 1122 HE1 PHE 151 HE1 PHE 151 -2.790 -5.092 -3.105 1123 HE2 PHE 151 HE2 PHE 151 0.336 -6.751 -0.674 1124 HZ PHE 151 HZ PHE 151 -1.392 -5.017 -1.062 1125 H ASP 152 H ASP 152 -2.988 -11.306 -5.251 1126 HA ASP 152 HA ASP 152 -5.139 -10.062 -3.832 1127 1HB ASP 152 1HB ASP 152 -6.579 -11.721 -4.913 1128 2HB ASP 152 2HB ASP 152 -5.181 -12.711 -5.312 1129 H GLU 153 H GLU 153 -4.046 -13.479 -3.640 1130 HA GLU 153 HA GLU 153 -5.570 -14.038 -1.265 1131 1HB GLU 153 1HB GLU 153 -3.079 -15.500 -2.184 1132 2HB GLU 153 2HB GLU 153 -4.673 -15.766 -2.888 1133 1HG GLU 153 1HG GLU 153 -4.305 -15.936 0.097 1134 2HG GLU 153 2HG GLU 153 -3.857 -17.304 -0.916 1135 H PHE 154 H PHE 154 -2.357 -12.688 -1.785 1136 HA PHE 154 HA PHE 154 -1.179 -13.128 0.746 1137 1HB PHE 154 1HB PHE 154 -0.944 -10.564 -0.855 1138 2HB PHE 154 2HB PHE 154 -0.080 -12.046 -1.262 1139 HD1 PHE 154 HD1 PHE 154 1.419 -13.099 0.535 1140 HD2 PHE 154 HD2 PHE 154 -0.109 -9.093 0.806 1141 HE1 PHE 154 HE1 PHE 154 3.163 -12.548 2.207 1142 HE2 PHE 154 HE2 PHE 154 1.639 -8.544 2.479 1143 HZ PHE 154 HZ PHE 154 3.274 -10.270 3.178 1144 H LEU 155 H LEU 155 -3.635 -10.769 -0.229 1145 HA LEU 155 HA LEU 155 -3.572 -9.093 2.075 1146 1HB LEU 155 1HB LEU 155 -5.905 -8.525 1.474 1147 2HB LEU 155 2HB LEU 155 -5.945 -9.887 0.357 1148 HG LEU 155 HG LEU 155 -3.834 -8.786 -0.698 1149 1HD1 LEU 155 1HD1 LEU 155 -5.206 -7.577 -2.235 1150 2HD1 LEU 155 2HD1 LEU 155 -6.437 -7.277 -1.009 1151 3HD1 LEU 155 3HD1 LEU 155 -6.203 -8.906 -1.642 1152 1HD2 LEU 155 1HD2 LEU 155 -5.068 -6.363 0.649 1153 2HD2 LEU 155 2HD2 LEU 155 -3.648 -6.385 -0.396 1154 3HD2 LEU 155 3HD2 LEU 155 -3.585 -7.142 1.196 1155 H LYS 156 H LYS 156 -5.720 -11.888 1.391 1156 HA LYS 156 HA LYS 156 -6.762 -12.002 4.092 1157 1HB LYS 156 1HB LYS 156 -7.471 -14.357 3.348 1158 2HB LYS 156 2HB LYS 156 -6.756 -13.963 1.785 1159 1HG LYS 156 1HG LYS 156 -8.322 -12.255 1.366 1160 2HG LYS 156 2HG LYS 156 -8.752 -12.104 3.070 1161 1HD LYS 156 1HD LYS 156 -10.576 -13.260 2.046 1162 2HD LYS 156 2HD LYS 156 -9.655 -14.496 2.902 1163 1HE LYS 156 1HE LYS 156 -8.658 -14.077 0.188 1164 2HE LYS 156 2HE LYS 156 -10.359 -14.539 0.198 1165 1HZ LYS 156 1HZ LYS 156 -8.180 -15.981 1.610 1166 2HZ LYS 156 2HZ LYS 156 -8.902 -16.471 0.152 1167 3HZ LYS 156 3HZ LYS 156 -9.816 -16.431 1.584 1168 H MET 157 H MET 157 -3.926 -13.299 2.502 1169 HA MET 157 HA MET 157 -3.284 -15.442 4.260 1170 1HB MET 157 1HB MET 157 -0.982 -13.872 3.298 1171 2HB MET 157 2HB MET 157 -2.125 -14.310 2.029 1172 1HG MET 157 1HG MET 157 -1.167 -16.344 1.998 1173 2HG MET 157 2HG MET 157 -1.869 -16.626 3.591 1174 1HE MET 157 1HE MET 157 1.097 -16.773 1.572 1175 2HE MET 157 2HE MET 157 2.433 -15.989 2.411 1176 3HE MET 157 3HE MET 157 1.164 -15.009 1.683 1177 H MET 158 H MET 158 -2.278 -11.999 4.390 1178 HA MET 158 HA MET 158 -0.924 -12.318 6.943 1179 1HB MET 158 1HB MET 158 -1.954 -9.689 5.884 1180 2HB MET 158 2HB MET 158 -0.572 -10.483 5.128 1181 1HG MET 158 1HG MET 158 0.714 -10.371 7.132 1182 2HG MET 158 2HG MET 158 -0.702 -9.984 8.110 1183 1HE MET 158 1HE MET 158 2.272 -8.935 7.276 1184 2HE MET 158 2HE MET 158 2.310 -7.223 6.864 1185 3HE MET 158 3HE MET 158 2.062 -8.420 5.596 1186 H GLU 159 H GLU 159 -4.178 -11.360 5.925 1187 HA GLU 159 HA GLU 159 -5.124 -10.303 8.396 1188 1HB GLU 159 1HB GLU 159 -7.368 -11.418 7.390 1189 2HB GLU 159 2HB GLU 159 -6.357 -11.462 5.947 1190 1HG GLU 159 1HG GLU 159 -6.961 -9.303 5.640 1191 2HG GLU 159 2HG GLU 159 -5.882 -8.927 6.983 1192 H GLY 160 H GLY 160 -5.237 -13.657 7.138 1193 1HA GLY 160 1HA GLY 160 -6.491 -15.336 8.589 1194 2HA GLY 160 2HA GLY 160 -5.678 -14.571 9.955 1195 H VAL 161 H VAL 161 -3.575 -15.196 10.431 1196 HA VAL 161 HA VAL 161 -2.142 -16.934 8.486 1197 HB VAL 161 HB VAL 161 -1.084 -15.744 11.072 1198 1HG1 VAL 161 1HG1 VAL 161 0.182 -17.011 8.631 1199 2HG1 VAL 161 2HG1 VAL 161 0.284 -17.559 10.304 1200 3HG1 VAL 161 3HG1 VAL 161 1.101 -16.077 9.810 1201 1HG2 VAL 161 1HG2 VAL 161 -1.842 -13.957 9.536 1202 2HG2 VAL 161 2HG2 VAL 161 -0.894 -14.677 8.235 1203 3HG2 VAL 161 3HG2 VAL 161 -0.081 -13.995 9.644 1204 H GLN 162 H GLN 162 -4.038 -18.452 9.256 1205 HA GLN 162 HA GLN 162 -3.407 -19.822 11.811 1206 1HB GLN 162 1HB GLN 162 -5.563 -20.871 10.060 1207 2HB GLN 162 2HB GLN 162 -5.803 -19.236 10.677 1208 1HG GLN 162 1HG GLN 162 -5.965 -19.942 12.861 1209 2HG GLN 162 2HG GLN 162 -4.851 -21.288 12.620 1210 1HE2 GLN 162 1HE2 GLN 162 -8.238 -20.275 12.289 1211 2HE2 GLN 162 2HE2 GLN 162 -8.857 -21.830 12.007 Start of MODEL 9 Raw file had 1211 H/Q atoms Start of MODEL 9 1 1H ALA 1 1H ALA 1 -22.072 22.689 -26.489 2 2H ALA 1 2H ALA 1 -21.926 23.594 -25.059 3 3H ALA 1 3H ALA 1 -22.014 21.899 -24.989 4 HA ALA 1 HA ALA 1 -19.807 23.459 -26.224 5 1HB ALA 1 1HB ALA 1 -19.818 21.800 -23.684 6 2HB ALA 1 2HB ALA 1 -19.926 23.560 -23.715 7 3HB ALA 1 3HB ALA 1 -18.478 22.756 -24.317 8 H SER 2 H SER 2 -18.413 22.238 -27.442 9 HA SER 2 HA SER 2 -18.834 19.274 -27.482 10 1HB SER 2 1HB SER 2 -18.013 20.819 -29.934 11 2HB SER 2 2HB SER 2 -19.716 20.686 -29.503 12 HG SER 2 HG SER 2 -18.026 18.795 -30.514 13 H MET 3 H MET 3 -16.874 18.139 -28.475 14 HA MET 3 HA MET 3 -14.574 17.763 -28.683 15 1HB MET 3 1HB MET 3 -14.747 20.503 -29.134 16 2HB MET 3 2HB MET 3 -13.321 19.499 -29.367 17 1HG MET 3 1HG MET 3 -12.402 20.104 -27.277 18 2HG MET 3 2HG MET 3 -13.950 20.679 -26.662 19 1HE MET 3 1HE MET 3 -14.084 22.637 -26.040 20 2HE MET 3 2HE MET 3 -14.994 23.281 -27.405 21 3HE MET 3 3HE MET 3 -13.602 24.166 -26.785 22 H THR 4 H THR 4 -15.925 19.238 -25.800 23 HA THR 4 HA THR 4 -13.646 18.689 -24.092 24 HB THR 4 HB THR 4 -15.490 18.889 -22.257 25 HG1 THR 4 HG1 THR 4 -17.437 19.259 -22.941 26 1HG2 THR 4 1HG2 THR 4 -14.876 21.165 -24.165 27 2HG2 THR 4 2HG2 THR 4 -13.898 20.670 -22.784 28 3HG2 THR 4 3HG2 THR 4 -15.501 21.359 -22.527 29 H ASP 5 H ASP 5 -13.015 16.574 -24.308 30 HA ASP 5 HA ASP 5 -14.991 14.475 -23.496 31 1HB ASP 5 1HB ASP 5 -13.400 12.900 -24.711 32 2HB ASP 5 2HB ASP 5 -12.578 14.331 -25.333 33 H GLN 6 H GLN 6 -11.488 15.231 -23.474 34 HA GLN 6 HA GLN 6 -10.885 13.520 -21.225 35 1HB GLN 6 1HB GLN 6 -8.773 14.962 -21.127 36 2HB GLN 6 2HB GLN 6 -9.437 15.863 -22.488 37 1HG GLN 6 1HG GLN 6 -9.648 13.653 -23.716 38 2HG GLN 6 2HG GLN 6 -8.729 12.920 -22.400 39 1HE2 GLN 6 1HE2 GLN 6 -8.485 15.696 -24.716 40 2HE2 GLN 6 2HE2 GLN 6 -6.801 15.578 -24.896 41 H GLN 7 H GLN 7 -11.618 16.986 -21.580 42 HA GLN 7 HA GLN 7 -11.284 17.628 -18.777 43 1HB GLN 7 1HB GLN 7 -12.455 19.736 -19.375 44 2HB GLN 7 2HB GLN 7 -12.843 19.059 -20.956 45 1HG GLN 7 1HG GLN 7 -10.906 20.173 -21.519 46 2HG GLN 7 2HG GLN 7 -10.191 18.649 -20.992 47 1HE2 GLN 7 1HE2 GLN 7 -8.615 18.838 -19.380 48 2HE2 GLN 7 2HE2 GLN 7 -8.427 20.182 -18.363 49 H ALA 8 H ALA 8 -14.085 16.782 -20.821 50 HA ALA 8 HA ALA 8 -16.047 17.129 -18.728 51 1HB ALA 8 1HB ALA 8 -16.176 15.433 -21.238 52 2HB ALA 8 2HB ALA 8 -16.660 17.125 -21.114 53 3HB ALA 8 3HB ALA 8 -17.552 15.886 -20.233 54 H GLU 9 H GLU 9 -13.635 14.754 -19.086 55 HA GLU 9 HA GLU 9 -15.243 12.732 -17.591 56 1HB GLU 9 1HB GLU 9 -13.168 11.273 -18.130 57 2HB GLU 9 2HB GLU 9 -12.735 12.551 -19.265 58 1HG GLU 9 1HG GLU 9 -14.948 12.299 -20.362 59 2HG GLU 9 2HG GLU 9 -15.342 10.992 -19.246 60 H ALA 10 H ALA 10 -12.051 14.350 -17.597 61 HA ALA 10 HA ALA 10 -11.251 13.403 -15.007 62 1HB ALA 10 1HB ALA 10 -9.517 14.297 -16.350 63 2HB ALA 10 2HB ALA 10 -9.756 15.513 -15.094 64 3HB ALA 10 3HB ALA 10 -10.432 15.763 -16.704 65 NH1 ARG 11 NH1 ARG 11 -16.617 22.549 -15.459 66 NH2 ARG 11 NH2 ARG 11 -15.298 22.055 -17.236 67 H ARG 11 H ARG 11 -13.394 15.971 -16.058 68 HA ARG 11 HA ARG 11 -13.388 17.494 -13.598 69 1HB ARG 11 1HB ARG 11 -15.836 18.022 -14.593 70 2HB ARG 11 2HB ARG 11 -15.094 17.348 -16.042 71 1HG ARG 11 1HG ARG 11 -14.229 19.418 -16.371 72 2HG ARG 11 2HG ARG 11 -13.124 19.039 -15.049 73 1HD ARG 11 1HD ARG 11 -14.351 20.262 -13.499 74 2HD ARG 11 2HD ARG 11 -15.864 20.062 -14.382 75 HE ARG 11 HE ARG 11 -13.779 22.085 -14.959 76 1HH1 ARG 11 1HH1 ARG 11 -15.992 22.423 -17.855 77 2HH1 ARG 11 2HH1 ARG 11 -14.445 21.686 -17.605 78 1HH2 ARG 11 1HH2 ARG 11 -16.773 22.556 -14.472 79 2HH2 ARG 11 2HH2 ARG 11 -17.313 22.916 -16.078 80 H ALA 12 H ALA 12 -15.456 14.867 -14.872 81 HA ALA 12 HA ALA 12 -17.152 14.741 -12.526 82 1HB ALA 12 1HB ALA 12 -17.806 12.497 -13.478 83 2HB ALA 12 2HB ALA 12 -16.601 12.745 -14.742 84 3HB ALA 12 3HB ALA 12 -17.981 13.836 -14.612 85 H PHE 13 H PHE 13 -13.982 13.498 -13.292 86 HA PHE 13 HA PHE 13 -13.968 11.294 -11.430 87 1HB PHE 13 1HB PHE 13 -11.562 12.897 -12.336 88 2HB PHE 13 2HB PHE 13 -12.328 11.663 -13.336 89 HD1 PHE 13 HD1 PHE 13 -10.018 12.302 -10.650 90 HD2 PHE 13 HD2 PHE 13 -12.565 9.295 -12.363 91 HE1 PHE 13 HE1 PHE 13 -8.758 10.543 -9.440 92 HE2 PHE 13 HE2 PHE 13 -11.304 7.537 -11.151 93 HZ PHE 13 HZ PHE 13 -9.400 8.162 -9.690 94 H LEU 14 H LEU 14 -12.605 14.619 -11.160 95 HA LEU 14 HA LEU 14 -12.595 14.215 -8.196 96 1HB LEU 14 1HB LEU 14 -10.367 14.721 -8.839 97 2HB LEU 14 2HB LEU 14 -11.016 16.238 -8.214 98 HG LEU 14 HG LEU 14 -11.696 16.377 -10.886 99 1HD1 LEU 14 1HD1 LEU 14 -9.032 17.446 -10.368 100 2HD1 LEU 14 2HD1 LEU 14 -10.143 17.774 -9.039 101 3HD1 LEU 14 3HD1 LEU 14 -10.542 18.304 -10.674 102 1HD2 LEU 14 1HD2 LEU 14 -10.306 14.325 -11.293 103 2HD2 LEU 14 2HD2 LEU 14 -8.901 15.210 -10.698 104 3HD2 LEU 14 3HD2 LEU 14 -9.724 15.743 -12.165 105 H SER 15 H SER 15 -14.029 15.351 -7.037 106 HA SER 15 HA SER 15 -15.719 17.366 -8.361 107 1HB SER 15 1HB SER 15 -16.927 17.376 -6.171 108 2HB SER 15 2HB SER 15 -15.734 16.245 -5.542 109 HG SER 15 HG SER 15 -16.635 14.682 -6.597 110 H GLU 16 H GLU 16 -16.247 19.272 -6.539 111 HA GLU 16 HA GLU 16 -14.001 21.023 -6.635 112 1HB GLU 16 1HB GLU 16 -15.340 22.366 -4.913 113 2HB GLU 16 2HB GLU 16 -16.537 21.073 -4.983 114 1HG GLU 16 1HG GLU 16 -17.345 22.549 -6.606 115 2HG GLU 16 2HG GLU 16 -16.374 21.452 -7.586 116 H GLU 17 H GLU 17 -14.929 18.620 -4.240 117 HA GLU 17 HA GLU 17 -13.355 19.602 -2.049 118 1HB GLU 17 1HB GLU 17 -13.904 16.687 -2.629 119 2HB GLU 17 2HB GLU 17 -15.170 17.767 -2.049 120 1HG GLU 17 1HG GLU 17 -12.550 17.698 -0.595 121 2HG GLU 17 2HG GLU 17 -13.698 16.386 -0.348 122 H MET 18 H MET 18 -12.672 17.182 -4.602 123 HA MET 18 HA MET 18 -9.928 16.770 -3.787 124 1HB MET 18 1HB MET 18 -10.404 16.283 -6.610 125 2HB MET 18 2HB MET 18 -11.684 15.587 -5.623 126 1HG MET 18 1HG MET 18 -8.774 15.190 -4.931 127 2HG MET 18 2HG MET 18 -9.599 14.127 -6.071 128 1HE MET 18 1HE MET 18 -9.836 15.435 -2.141 129 2HE MET 18 2HE MET 18 -8.421 14.769 -2.952 130 3HE MET 18 3HE MET 18 -9.281 13.801 -1.757 131 H ILE 19 H ILE 19 -11.480 18.692 -6.348 132 HA ILE 19 HA ILE 19 -9.221 19.784 -7.609 133 HB ILE 19 HB ILE 19 -11.906 21.058 -7.001 134 1HG1 ILE 19 1HG1 ILE 19 -11.645 18.971 -8.514 135 2HG1 ILE 19 2HG1 ILE 19 -10.843 20.057 -9.648 136 1HG2 ILE 19 1HG2 ILE 19 -9.561 22.040 -8.637 137 2HG2 ILE 19 2HG2 ILE 19 -10.476 22.911 -7.407 138 3HG2 ILE 19 3HG2 ILE 19 -11.209 22.571 -8.974 139 1HD1 ILE 19 1HD1 ILE 19 -13.691 20.153 -8.648 140 2HD1 ILE 19 2HD1 ILE 19 -13.115 20.093 -10.314 141 3HD1 ILE 19 3HD1 ILE 19 -12.921 21.568 -9.367 142 H ALA 20 H ALA 20 -10.768 20.839 -4.571 143 HA ALA 20 HA ALA 20 -9.242 23.215 -4.164 144 1HB ALA 20 1HB ALA 20 -11.241 22.654 -2.835 145 2HB ALA 20 2HB ALA 20 -9.857 22.967 -1.788 146 3HB ALA 20 3HB ALA 20 -10.375 21.309 -2.095 147 H GLU 21 H GLU 21 -8.633 19.858 -3.066 148 HA GLU 21 HA GLU 21 -6.161 20.428 -1.726 149 1HB GLU 21 1HB GLU 21 -5.830 17.846 -2.548 150 2HB GLU 21 2HB GLU 21 -7.581 18.006 -2.689 151 1HG GLU 21 1HG GLU 21 -7.768 18.681 -0.372 152 2HG GLU 21 2HG GLU 21 -6.014 18.777 -0.209 153 H PHE 22 H PHE 22 -6.921 19.559 -5.096 154 HA PHE 22 HA PHE 22 -4.178 19.339 -5.968 155 1HB PHE 22 1HB PHE 22 -5.098 19.536 -8.245 156 2HB PHE 22 2HB PHE 22 -6.643 20.068 -7.590 157 HD1 PHE 22 HD1 PHE 22 -4.389 17.388 -6.270 158 HD2 PHE 22 HD2 PHE 22 -8.111 18.301 -8.216 159 HE1 PHE 22 HE1 PHE 22 -5.089 15.024 -6.042 160 HE2 PHE 22 HE2 PHE 22 -8.806 15.935 -7.985 161 HZ PHE 22 HZ PHE 22 -7.298 14.296 -6.900 162 H LYS 23 H LYS 23 -6.379 22.041 -5.485 163 HA LYS 23 HA LYS 23 -5.000 24.014 -7.025 164 1HB LYS 23 1HB LYS 23 -6.312 24.773 -4.443 165 2HB LYS 23 2HB LYS 23 -7.314 24.058 -5.705 166 1HG LYS 23 1HG LYS 23 -6.412 25.774 -7.304 167 2HG LYS 23 2HG LYS 23 -5.577 26.532 -5.949 168 1HD LYS 23 1HD LYS 23 -8.509 25.984 -5.683 169 2HD LYS 23 2HD LYS 23 -8.003 27.340 -6.690 170 1HE LYS 23 1HE LYS 23 -7.247 28.552 -4.901 171 2HE LYS 23 2HE LYS 23 -6.656 27.123 -4.054 172 1HZ LYS 23 1HZ LYS 23 -8.543 28.108 -2.916 173 2HZ LYS 23 2HZ LYS 23 -8.930 26.555 -3.485 174 3HZ LYS 23 3HZ LYS 23 -9.504 27.931 -4.302 175 H ALA 24 H ALA 24 -4.389 22.691 -3.794 176 HA ALA 24 HA ALA 24 -2.594 24.692 -2.839 177 1HB ALA 24 1HB ALA 24 -1.816 23.033 -1.267 178 2HB ALA 24 2HB ALA 24 -2.400 21.718 -2.286 179 3HB ALA 24 3HB ALA 24 -3.549 22.787 -1.479 180 H ALA 25 H ALA 25 -1.953 21.721 -4.713 181 HA ALA 25 HA ALA 25 0.902 22.214 -4.903 182 1HB ALA 25 1HB ALA 25 0.696 20.464 -6.793 183 2HB ALA 25 2HB ALA 25 -1.001 20.354 -6.328 184 3HB ALA 25 3HB ALA 25 0.260 19.950 -5.163 185 H PHE 26 H PHE 26 -1.855 23.344 -6.711 186 HA PHE 26 HA PHE 26 -0.452 23.944 -9.159 187 1HB PHE 26 1HB PHE 26 -2.881 25.438 -8.183 188 2HB PHE 26 2HB PHE 26 -2.998 23.778 -8.774 189 HD1 PHE 26 HD1 PHE 26 -2.292 23.234 -11.108 190 HD2 PHE 26 HD2 PHE 26 -2.503 27.277 -9.675 191 HE1 PHE 26 HE1 PHE 26 -2.238 24.063 -13.443 192 HE2 PHE 26 HE2 PHE 26 -2.452 28.106 -12.009 193 HZ PHE 26 HZ PHE 26 -2.318 26.498 -13.892 194 H ASP 27 H ASP 27 -1.269 25.968 -6.299 195 HA ASP 27 HA ASP 27 -0.272 28.392 -7.383 196 1HB ASP 27 1HB ASP 27 -1.600 28.605 -5.441 197 2HB ASP 27 2HB ASP 27 0.014 29.114 -4.959 198 H MET 28 H MET 28 1.580 25.757 -5.819 199 HA MET 28 HA MET 28 3.935 27.370 -5.428 200 1HB MET 28 1HB MET 28 3.862 25.302 -4.238 201 2HB MET 28 2HB MET 28 5.170 25.176 -5.401 202 1HG MET 28 1HG MET 28 3.440 24.047 -6.947 203 2HG MET 28 2HG MET 28 2.461 23.869 -5.492 204 1HE MET 28 1HE MET 28 2.491 21.182 -5.151 205 2HE MET 28 2HE MET 28 3.778 20.316 -5.982 206 3HE MET 28 3HE MET 28 2.841 21.529 -6.850 207 H PHE 29 H PHE 29 2.910 25.281 -8.122 208 HA PHE 29 HA PHE 29 5.247 25.823 -9.739 209 1HB PHE 29 1HB PHE 29 3.341 25.181 -11.571 210 2HB PHE 29 2HB PHE 29 2.611 24.512 -10.115 211 HD1 PHE 29 HD1 PHE 29 5.795 24.552 -12.084 212 HD2 PHE 29 HD2 PHE 29 3.361 22.460 -9.227 213 HE1 PHE 29 HE1 PHE 29 7.331 22.608 -12.195 214 HE2 PHE 29 HE2 PHE 29 4.897 20.518 -9.341 215 HZ PHE 29 HZ PHE 29 6.883 20.592 -10.823 216 H ASP 30 H ASP 30 2.274 27.477 -9.092 217 HA ASP 30 HA ASP 30 2.488 29.315 -11.380 218 1HB ASP 30 1HB ASP 30 0.691 30.027 -9.173 219 2HB ASP 30 2HB ASP 30 0.398 28.417 -9.820 220 H ALA 31 H ALA 31 4.810 29.370 -9.782 221 HA ALA 31 HA ALA 31 4.853 31.344 -7.732 222 1HB ALA 31 1HB ALA 31 6.705 29.748 -8.169 223 2HB ALA 31 2HB ALA 31 7.273 31.416 -8.101 224 3HB ALA 31 3HB ALA 31 7.078 30.613 -9.660 225 H ASP 32 H ASP 32 4.948 31.674 -11.257 226 HA ASP 32 HA ASP 32 5.678 34.517 -11.125 227 1HB ASP 32 1HB ASP 32 4.559 33.074 -13.530 228 2HB ASP 32 2HB ASP 32 6.240 32.885 -13.037 229 H GLY 33 H GLY 33 2.718 32.589 -11.534 230 1HA GLY 33 1HA GLY 33 1.157 35.115 -11.204 231 2HA GLY 33 2HA GLY 33 0.597 33.519 -10.709 232 H GLY 34 H GLY 34 -1.331 34.226 -12.049 233 1HA GLY 34 1HA GLY 34 -0.868 33.594 -14.942 234 2HA GLY 34 2HA GLY 34 -2.047 34.792 -14.418 235 H GLY 35 H GLY 35 -1.643 31.820 -12.591 236 1HA GLY 35 1HA GLY 35 -4.433 31.086 -13.166 237 2HA GLY 35 2HA GLY 35 -3.369 30.294 -12.005 238 H ASP 36 H ASP 36 -1.256 30.161 -14.232 239 HA ASP 36 HA ASP 36 -2.063 27.542 -15.261 240 1HB ASP 36 1HB ASP 36 -2.847 28.310 -17.240 241 2HB ASP 36 2HB ASP 36 -1.167 28.662 -17.625 242 H ILE 37 H ILE 37 -0.218 26.417 -16.226 243 HA ILE 37 HA ILE 37 2.362 27.575 -15.241 244 HB ILE 37 HB ILE 37 2.001 24.715 -16.124 245 1HG1 ILE 37 1HG1 ILE 37 1.463 24.146 -13.755 246 2HG1 ILE 37 2HG1 ILE 37 0.195 25.109 -14.507 247 1HG2 ILE 37 1HG2 ILE 37 4.271 25.418 -15.711 248 2HG2 ILE 37 2HG2 ILE 37 3.770 24.408 -14.355 249 3HG2 ILE 37 3HG2 ILE 37 3.816 26.162 -14.179 250 1HD1 ILE 37 1HD1 ILE 37 2.388 26.524 -13.024 251 2HD1 ILE 37 2HD1 ILE 37 1.107 25.740 -12.100 252 3HD1 ILE 37 3HD1 ILE 37 0.708 27.006 -13.261 253 H SER 38 H SER 38 4.198 27.626 -16.658 254 HA SER 38 HA SER 38 3.572 27.123 -19.545 255 1HB SER 38 1HB SER 38 5.340 29.393 -18.631 256 2HB SER 38 2HB SER 38 3.595 29.601 -18.759 257 HG SER 38 HG SER 38 4.979 30.071 -20.685 258 H THR 39 H THR 39 5.838 27.298 -20.810 259 HA THR 39 HA THR 39 7.493 25.161 -19.771 260 HB THR 39 HB THR 39 8.477 26.987 -21.943 261 HG1 THR 39 HG1 THR 39 6.652 26.742 -22.934 262 1HG2 THR 39 1HG2 THR 39 8.775 24.504 -22.869 263 2HG2 THR 39 2HG2 THR 39 8.673 24.117 -21.151 264 3HG2 THR 39 3HG2 THR 39 9.927 25.210 -21.737 265 H LYS 40 H LYS 40 8.085 28.668 -20.250 266 HA LYS 40 HA LYS 40 10.686 28.659 -19.038 267 1HB LYS 40 1HB LYS 40 10.063 30.557 -20.395 268 2HB LYS 40 2HB LYS 40 10.297 31.133 -18.748 269 1HG LYS 40 1HG LYS 40 8.065 31.584 -18.432 270 2HG LYS 40 2HG LYS 40 7.540 30.278 -19.493 271 1HD LYS 40 1HD LYS 40 7.046 32.094 -20.840 272 2HD LYS 40 2HD LYS 40 8.709 31.798 -21.346 273 1HE LYS 40 1HE LYS 40 9.512 33.667 -20.266 274 2HE LYS 40 2HE LYS 40 8.313 33.567 -18.978 275 1HZ LYS 40 1HZ LYS 40 7.885 35.459 -20.397 276 2HZ LYS 40 2HZ LYS 40 6.628 34.328 -20.548 277 3HZ LYS 40 3HZ LYS 40 7.806 34.462 -21.765 278 H GLU 41 H GLU 41 7.441 29.304 -17.696 279 HA GLU 41 HA GLU 41 8.273 29.943 -15.034 280 1HB GLU 41 1HB GLU 41 5.894 29.073 -14.468 281 2HB GLU 41 2HB GLU 41 5.717 28.849 -16.208 282 1HG GLU 41 1HG GLU 41 6.375 31.262 -16.509 283 2HG GLU 41 2HG GLU 41 6.330 31.439 -14.755 284 H LEU 42 H LEU 42 7.702 26.853 -16.661 285 HA LEU 42 HA LEU 42 7.624 25.116 -14.421 286 1HB LEU 42 1HB LEU 42 9.163 24.107 -16.721 287 2HB LEU 42 2HB LEU 42 7.609 24.806 -17.157 288 HG LEU 42 HG LEU 42 7.503 22.353 -16.655 289 1HD1 LEU 42 1HD1 LEU 42 7.801 21.560 -14.397 290 2HD1 LEU 42 2HD1 LEU 42 8.040 23.201 -13.798 291 3HD1 LEU 42 3HD1 LEU 42 9.252 22.458 -14.840 292 1HD2 LEU 42 1HD2 LEU 42 5.975 24.330 -14.959 293 2HD2 LEU 42 2HD2 LEU 42 5.614 22.604 -14.914 294 3HD2 LEU 42 3HD2 LEU 42 5.443 23.503 -16.422 295 H GLY 43 H GLY 43 10.474 25.879 -16.457 296 1HA GLY 43 1HA GLY 43 12.750 26.024 -15.909 297 2HA GLY 43 2HA GLY 43 12.439 24.630 -14.878 298 H THR 44 H THR 44 10.896 27.789 -14.440 299 HA THR 44 HA THR 44 12.717 28.815 -12.468 300 HB THR 44 HB THR 44 9.753 29.406 -12.460 301 HG1 THR 44 HG1 THR 44 11.726 30.378 -14.256 302 1HG2 THR 44 1HG2 THR 44 12.068 31.313 -12.156 303 2HG2 THR 44 2HG2 THR 44 11.477 30.366 -10.790 304 3HG2 THR 44 3HG2 THR 44 10.405 31.505 -11.604 305 H VAL 45 H VAL 45 9.714 26.903 -12.172 306 HA VAL 45 HA VAL 45 9.795 26.770 -9.282 307 HB VAL 45 HB VAL 45 8.401 24.919 -11.249 308 1HG1 VAL 45 1HG1 VAL 45 6.839 24.696 -9.196 309 2HG1 VAL 45 2HG1 VAL 45 8.187 25.355 -8.269 310 3HG1 VAL 45 3HG1 VAL 45 8.377 23.836 -9.145 311 1HG2 VAL 45 1HG2 VAL 45 6.543 26.365 -11.180 312 2HG2 VAL 45 2HG2 VAL 45 7.901 27.484 -11.280 313 3HG2 VAL 45 3HG2 VAL 45 7.117 27.187 -9.729 314 H MET 46 H MET 46 11.134 24.757 -11.883 315 HA MET 46 HA MET 46 11.860 22.514 -10.233 316 1HB MET 46 1HB MET 46 13.287 21.833 -12.051 317 2HB MET 46 2HB MET 46 13.349 23.474 -12.692 318 1HG MET 46 1HG MET 46 11.487 23.112 -13.894 319 2HG MET 46 2HG MET 46 10.599 22.649 -12.443 320 1HE MET 46 1HE MET 46 9.192 20.138 -13.364 321 2HE MET 46 2HE MET 46 9.795 20.912 -11.900 322 3HE MET 46 3HE MET 46 10.206 19.232 -12.234 323 NH1 ARG 47 NH1 ARG 47 16.302 27.192 -15.894 324 NH2 ARG 47 NH2 ARG 47 17.176 28.690 -14.436 325 H ARG 47 H ARG 47 13.762 25.320 -11.373 326 HA ARG 47 HA ARG 47 16.127 24.745 -9.884 327 1HB ARG 47 1HB ARG 47 16.185 27.450 -10.028 328 2HB ARG 47 2HB ARG 47 14.974 27.108 -11.263 329 1HG ARG 47 1HG ARG 47 17.453 25.443 -11.259 330 2HG ARG 47 2HG ARG 47 17.594 27.110 -11.814 331 1HD ARG 47 1HD ARG 47 15.517 25.167 -12.860 332 2HD ARG 47 2HD ARG 47 17.073 25.442 -13.642 333 HE ARG 47 HE ARG 47 14.894 27.464 -13.409 334 1HH1 ARG 47 1HH1 ARG 47 16.805 27.623 -16.643 335 2HH1 ARG 47 2HH1 ARG 47 15.713 26.402 -16.078 336 1HH2 ARG 47 1HH2 ARG 47 17.257 29.046 -13.504 337 2HH2 ARG 47 2HH2 ARG 47 17.681 29.124 -15.182 338 H MET 48 H MET 48 13.049 26.135 -8.895 339 HA MET 48 HA MET 48 13.912 27.486 -6.523 340 1HB MET 48 1HB MET 48 11.363 26.341 -6.011 341 2HB MET 48 2HB MET 48 11.404 26.725 -7.732 342 1HG MET 48 1HG MET 48 10.672 28.740 -6.770 343 2HG MET 48 2HG MET 48 12.406 29.006 -6.951 344 1HE MET 48 1HE MET 48 12.565 30.801 -5.452 345 2HE MET 48 2HE MET 48 13.908 29.765 -4.978 346 3HE MET 48 3HE MET 48 12.946 30.570 -3.740 347 H LEU 49 H LEU 49 12.896 24.108 -7.081 348 HA LEU 49 HA LEU 49 13.269 23.311 -4.309 349 1HB LEU 49 1HB LEU 49 13.245 21.513 -6.749 350 2HB LEU 49 2HB LEU 49 11.776 22.142 -6.001 351 HG LEU 49 HG LEU 49 13.187 21.140 -3.836 352 1HD1 LEU 49 1HD1 LEU 49 11.227 19.526 -5.484 353 2HD1 LEU 49 2HD1 LEU 49 10.735 20.911 -4.508 354 3HD1 LEU 49 3HD1 LEU 49 11.452 19.497 -3.735 355 1HD2 LEU 49 1HD2 LEU 49 13.331 18.960 -5.900 356 2HD2 LEU 49 2HD2 LEU 49 14.219 19.120 -4.385 357 3HD2 LEU 49 3HD2 LEU 49 14.661 20.111 -5.774 358 H GLY 50 H GLY 50 15.327 23.489 -7.151 359 1HA GLY 50 1HA GLY 50 17.552 22.258 -5.576 360 2HA GLY 50 2HA GLY 50 17.786 23.698 -6.562 361 H GLN 51 H GLN 51 15.791 22.278 -8.546 362 HA GLN 51 HA GLN 51 17.652 20.233 -9.647 363 1HB GLN 51 1HB GLN 51 14.958 20.822 -10.823 364 2HB GLN 51 2HB GLN 51 15.035 19.966 -9.283 365 1HG GLN 51 1HG GLN 51 16.005 18.096 -10.220 366 2HG GLN 51 2HG GLN 51 16.838 19.024 -11.467 367 1HE2 GLN 51 1HE2 GLN 51 15.639 19.536 -13.438 368 2HE2 GLN 51 2HE2 GLN 51 14.154 18.794 -13.791 369 H ASN 52 H ASN 52 18.415 20.433 -11.813 370 HA ASN 52 HA ASN 52 17.994 23.124 -13.055 371 1HB ASN 52 1HB ASN 52 20.550 21.533 -13.318 372 2HB ASN 52 2HB ASN 52 20.300 22.662 -11.989 373 1HD2 ASN 52 1HD2 ASN 52 21.991 22.653 -14.669 374 2HD2 ASN 52 2HD2 ASN 52 21.714 24.211 -15.279 375 HA PRO 53 HA PRO 53 16.756 19.884 -16.091 376 1HB PRO 53 1HB PRO 53 14.544 19.978 -15.456 377 2HB PRO 53 2HB PRO 53 14.410 21.129 -16.795 378 1HG PRO 53 1HG PRO 53 13.792 21.739 -14.165 379 2HG PRO 53 2HG PRO 53 14.289 22.948 -15.359 380 1HD PRO 53 1HD PRO 53 15.778 21.901 -13.036 381 2HD PRO 53 2HD PRO 53 16.108 23.348 -14.011 382 H THR 54 H THR 54 16.241 20.265 -18.491 383 HA THR 54 HA THR 54 17.718 22.681 -19.417 384 HB THR 54 HB THR 54 18.504 21.459 -21.180 385 HG1 THR 54 HG1 THR 54 17.168 20.596 -22.532 386 1HG2 THR 54 1HG2 THR 54 17.452 19.060 -19.672 387 2HG2 THR 54 2HG2 THR 54 18.828 20.012 -19.116 388 3HG2 THR 54 3HG2 THR 54 18.909 19.165 -20.660 389 H LYS 55 H LYS 55 16.865 23.719 -21.436 390 HA LYS 55 HA LYS 55 14.101 24.480 -21.100 391 1HB LYS 55 1HB LYS 55 14.475 25.725 -23.245 392 2HB LYS 55 2HB LYS 55 16.051 24.949 -23.375 393 1HG LYS 55 1HG LYS 55 16.610 26.962 -22.327 394 2HG LYS 55 2HG LYS 55 16.398 25.895 -20.939 395 1HD LYS 55 1HD LYS 55 13.832 26.788 -21.354 396 2HD LYS 55 2HD LYS 55 14.779 28.204 -21.807 397 1HE LYS 55 1HE LYS 55 15.210 26.673 -19.226 398 2HE LYS 55 2HE LYS 55 14.150 28.074 -19.351 399 1HZ LYS 55 1HZ LYS 55 17.073 27.978 -19.841 400 2HZ LYS 55 2HZ LYS 55 16.251 28.848 -18.636 401 3HZ LYS 55 3HZ LYS 55 16.104 29.307 -20.264 402 H GLU 56 H GLU 56 15.793 22.494 -23.539 403 HA GLU 56 HA GLU 56 13.443 21.871 -25.077 404 1HB GLU 56 1HB GLU 56 16.237 20.775 -24.862 405 2HB GLU 56 2HB GLU 56 15.470 21.591 -26.217 406 1HG GLU 56 1HG GLU 56 14.002 19.619 -26.557 407 2HG GLU 56 2HG GLU 56 14.811 18.816 -25.212 408 H GLU 57 H GLU 57 15.044 20.337 -22.324 409 HA GLU 57 HA GLU 57 13.557 17.868 -22.405 410 1HB GLU 57 1HB GLU 57 14.684 19.176 -19.917 411 2HB GLU 57 2HB GLU 57 15.699 18.337 -21.088 412 1HG GLU 57 1HG GLU 57 13.273 17.006 -19.876 413 2HG GLU 57 2HG GLU 57 14.837 16.976 -19.062 414 H LEU 58 H LEU 58 13.112 20.903 -20.600 415 HA LEU 58 HA LEU 58 10.679 20.069 -19.301 416 1HB LEU 58 1HB LEU 58 10.619 22.841 -19.381 417 2HB LEU 58 2HB LEU 58 12.341 22.469 -19.472 418 HG LEU 58 HG LEU 58 12.027 20.918 -17.515 419 1HD1 LEU 58 1HD1 LEU 58 12.868 23.230 -17.217 420 2HD1 LEU 58 2HD1 LEU 58 11.901 22.712 -15.837 421 3HD1 LEU 58 3HD1 LEU 58 11.209 23.802 -17.039 422 1HD2 LEU 58 1HD2 LEU 58 9.597 20.568 -17.821 423 2HD2 LEU 58 2HD2 LEU 58 9.306 22.256 -17.410 424 3HD2 LEU 58 3HD2 LEU 58 9.956 21.154 -16.196 425 H ASP 59 H ASP 59 11.382 21.547 -22.395 426 HA ASP 59 HA ASP 59 8.762 22.537 -23.005 427 1HB ASP 59 1HB ASP 59 10.497 21.409 -25.172 428 2HB ASP 59 2HB ASP 59 11.099 22.792 -24.259 429 H ALA 60 H ALA 60 10.269 19.344 -23.382 430 HA ALA 60 HA ALA 60 8.059 18.182 -24.855 431 1HB ALA 60 1HB ALA 60 9.154 15.993 -24.063 432 2HB ALA 60 2HB ALA 60 10.383 17.013 -23.313 433 3HB ALA 60 3HB ALA 60 10.145 17.056 -25.061 434 H ILE 61 H ILE 61 8.860 18.550 -21.446 435 HA ILE 61 HA ILE 61 7.027 16.730 -20.288 436 HB ILE 61 HB ILE 61 8.327 19.292 -19.422 437 1HG1 ILE 61 1HG1 ILE 61 9.340 16.920 -19.371 438 2HG1 ILE 61 2HG1 ILE 61 8.227 16.604 -18.040 439 1HG2 ILE 61 1HG2 ILE 61 7.212 18.926 -17.146 440 2HG2 ILE 61 2HG2 ILE 61 6.046 17.902 -17.985 441 3HG2 ILE 61 3HG2 ILE 61 6.181 19.611 -18.403 442 1HD1 ILE 61 1HD1 ILE 61 9.185 18.754 -16.974 443 2HD1 ILE 61 2HD1 ILE 61 10.478 18.616 -18.165 444 3HD1 ILE 61 3HD1 ILE 61 10.227 17.330 -16.985 445 H ILE 62 H ILE 62 6.508 19.997 -21.583 446 HA ILE 62 HA ILE 62 3.687 19.992 -20.707 447 HB ILE 62 HB ILE 62 5.149 22.000 -22.454 448 1HG1 ILE 62 1HG1 ILE 62 6.253 21.797 -20.267 449 2HG1 ILE 62 2HG1 ILE 62 4.700 21.952 -19.448 450 1HG2 ILE 62 1HG2 ILE 62 3.327 23.511 -21.744 451 2HG2 ILE 62 2HG2 ILE 62 2.593 22.196 -20.827 452 3HG2 ILE 62 3HG2 ILE 62 2.685 22.103 -22.584 453 1HD1 ILE 62 1HD1 ILE 62 4.428 24.217 -20.385 454 2HD1 ILE 62 2HD1 ILE 62 5.970 24.059 -21.225 455 3HD1 ILE 62 3HD1 ILE 62 5.926 24.101 -19.462 456 H GLU 63 H GLU 63 5.582 19.579 -23.681 457 HA GLU 63 HA GLU 63 3.548 19.710 -25.627 458 1HB GLU 63 1HB GLU 63 5.269 17.547 -26.316 459 2HB GLU 63 2HB GLU 63 6.243 18.745 -25.469 460 1HG GLU 63 1HG GLU 63 5.318 20.503 -26.976 461 2HG GLU 63 2HG GLU 63 4.449 19.249 -27.858 462 H GLU 64 H GLU 64 4.446 16.987 -23.524 463 HA GLU 64 HA GLU 64 2.564 15.126 -24.731 464 1HB GLU 64 1HB GLU 64 3.234 14.517 -21.975 465 2HB GLU 64 2HB GLU 64 4.672 14.995 -22.874 466 1HG GLU 64 1HG GLU 64 4.551 13.181 -24.292 467 2HG GLU 64 2HG GLU 64 2.790 13.104 -24.212 468 H VAL 65 H VAL 65 2.428 17.498 -22.139 469 HA VAL 65 HA VAL 65 -0.035 16.509 -20.960 470 HB VAL 65 HB VAL 65 1.324 19.215 -20.754 471 1HG1 VAL 65 1HG1 VAL 65 -0.090 19.314 -18.614 472 2HG1 VAL 65 2HG1 VAL 65 -1.033 17.993 -19.304 473 3HG1 VAL 65 3HG1 VAL 65 -0.953 19.547 -20.134 474 1HG2 VAL 65 1HG2 VAL 65 1.262 16.908 -18.785 475 2HG2 VAL 65 2HG2 VAL 65 2.210 18.389 -18.660 476 3HG2 VAL 65 3HG2 VAL 65 2.594 17.200 -19.904 477 H ASP 66 H ASP 66 0.695 19.305 -23.109 478 HA ASP 66 HA ASP 66 -2.093 20.019 -23.377 479 1HB ASP 66 1HB ASP 66 -0.597 21.807 -23.739 480 2HB ASP 66 2HB ASP 66 -1.238 21.437 -25.332 481 H GLU 67 H GLU 67 -2.558 17.601 -23.858 482 HA GLU 67 HA GLU 67 -2.091 16.473 -26.443 483 1HB GLU 67 1HB GLU 67 -4.675 15.865 -25.101 484 2HB GLU 67 2HB GLU 67 -3.219 15.546 -24.158 485 1HG GLU 67 1HG GLU 67 -2.413 13.972 -25.707 486 2HG GLU 67 2HG GLU 67 -3.425 14.596 -27.012 487 H ASP 68 H ASP 68 -4.696 18.554 -25.203 488 HA ASP 68 HA ASP 68 -6.304 18.482 -27.591 489 1HB ASP 68 1HB ASP 68 -7.162 19.211 -25.364 490 2HB ASP 68 2HB ASP 68 -7.479 20.395 -26.631 491 H GLY 69 H GLY 69 -3.465 20.337 -26.673 492 1HA GLY 69 1HA GLY 69 -3.576 21.700 -29.331 493 2HA GLY 69 2HA GLY 69 -2.090 21.308 -28.470 494 H SER 70 H SER 70 -2.868 22.255 -25.879 495 HA SER 70 HA SER 70 -3.731 25.043 -26.148 496 1HB SER 70 1HB SER 70 -2.509 23.866 -23.657 497 2HB SER 70 2HB SER 70 -4.146 23.431 -24.142 498 HG SER 70 HG SER 70 -4.156 25.244 -22.774 499 H GLY 71 H GLY 71 -0.658 23.343 -25.487 500 1HA GLY 71 1HA GLY 71 0.761 25.902 -26.078 501 2HA GLY 71 2HA GLY 71 1.449 24.294 -26.305 502 H THR 72 H THR 72 -0.153 25.979 -23.572 503 HA THR 72 HA THR 72 2.235 25.344 -21.888 504 HB THR 72 HB THR 72 1.404 27.170 -20.404 505 HG1 THR 72 HG1 THR 72 -0.529 27.883 -20.702 506 1HG2 THR 72 1HG2 THR 72 2.995 27.555 -22.355 507 2HG2 THR 72 2HG2 THR 72 2.123 28.977 -21.784 508 3HG2 THR 72 3HG2 THR 72 1.601 28.154 -23.254 509 H ILE 73 H ILE 73 1.196 25.416 -19.353 510 HA ILE 73 HA ILE 73 -0.745 23.150 -19.433 511 HB ILE 73 HB ILE 73 0.629 24.004 -16.915 512 1HG1 ILE 73 1HG1 ILE 73 2.430 23.913 -18.628 513 2HG1 ILE 73 2HG1 ILE 73 1.900 22.294 -19.082 514 1HG2 ILE 73 1HG2 ILE 73 -0.103 21.298 -18.071 515 2HG2 ILE 73 2HG2 ILE 73 -1.115 22.222 -16.961 516 3HG2 ILE 73 3HG2 ILE 73 0.453 21.617 -16.427 517 1HD1 ILE 73 1HD1 ILE 73 2.698 21.342 -17.127 518 2HD1 ILE 73 2HD1 ILE 73 2.505 22.829 -16.199 519 3HD1 ILE 73 3HD1 ILE 73 3.860 22.654 -17.316 520 H ASP 74 H ASP 74 -2.714 23.344 -18.527 521 HA ASP 74 HA ASP 74 -3.487 26.006 -17.440 522 1HB ASP 74 1HB ASP 74 -5.795 25.334 -18.051 523 2HB ASP 74 2HB ASP 74 -5.186 23.778 -18.606 524 H PHE 75 H PHE 75 -5.460 25.751 -15.838 525 HA PHE 75 HA PHE 75 -4.525 24.201 -13.573 526 1HB PHE 75 1HB PHE 75 -7.224 25.551 -13.927 527 2HB PHE 75 2HB PHE 75 -5.777 26.367 -13.335 528 HD1 PHE 75 HD1 PHE 75 -8.446 23.989 -12.541 529 HD2 PHE 75 HD2 PHE 75 -4.761 25.710 -11.161 530 HE1 PHE 75 HE1 PHE 75 -8.902 23.137 -10.258 531 HE2 PHE 75 HE2 PHE 75 -5.217 24.855 -8.878 532 HZ PHE 75 HZ PHE 75 -7.288 23.569 -8.427 533 H GLU 76 H GLU 76 -7.338 23.935 -15.765 534 HA GLU 76 HA GLU 76 -8.273 21.447 -14.630 535 1HB GLU 76 1HB GLU 76 -9.469 21.276 -16.908 536 2HB GLU 76 2HB GLU 76 -8.762 22.853 -17.262 537 1HG GLU 76 1HG GLU 76 -9.828 23.780 -15.233 538 2HG GLU 76 2HG GLU 76 -10.531 22.200 -14.882 539 H GLU 77 H GLU 77 -5.735 22.284 -16.863 540 HA GLU 77 HA GLU 77 -5.480 19.640 -18.073 541 1HB GLU 77 1HB GLU 77 -3.013 21.221 -17.939 542 2HB GLU 77 2HB GLU 77 -4.367 22.144 -18.593 543 1HG GLU 77 1HG GLU 77 -4.799 19.997 -20.028 544 2HG GLU 77 2HG GLU 77 -3.126 19.604 -19.634 545 H PHE 78 H PHE 78 -4.288 21.374 -15.288 546 HA PHE 78 HA PHE 78 -2.351 19.428 -14.408 547 1HB PHE 78 1HB PHE 78 -3.871 21.667 -13.048 548 2HB PHE 78 2HB PHE 78 -2.203 21.695 -13.602 549 HD1 PHE 78 HD1 PHE 78 -0.626 19.847 -12.549 550 HD2 PHE 78 HD2 PHE 78 -4.322 21.174 -10.807 551 HE1 PHE 78 HE1 PHE 78 0.110 18.997 -10.338 552 HE2 PHE 78 HE2 PHE 78 -3.582 20.326 -8.598 553 HZ PHE 78 HZ PHE 78 -1.369 19.238 -8.364 554 H LEU 79 H LEU 79 -5.824 19.953 -13.907 555 HA LEU 79 HA LEU 79 -6.141 17.965 -11.821 556 1HB LEU 79 1HB LEU 79 -8.551 18.142 -12.316 557 2HB LEU 79 2HB LEU 79 -8.183 19.044 -13.782 558 HG LEU 79 HG LEU 79 -7.098 20.806 -12.393 559 1HD1 LEU 79 1HD1 LEU 79 -9.971 20.024 -11.930 560 2HD1 LEU 79 2HD1 LEU 79 -9.326 21.323 -12.935 561 3HD1 LEU 79 3HD1 LEU 79 -9.307 21.475 -11.179 562 1HD2 LEU 79 1HD2 LEU 79 -8.082 19.039 -10.131 563 2HD2 LEU 79 2HD2 LEU 79 -7.579 20.714 -9.908 564 3HD2 LEU 79 3HD2 LEU 79 -6.417 19.512 -10.464 565 H VAL 80 H VAL 80 -6.828 17.910 -15.353 566 HA VAL 80 HA VAL 80 -7.559 15.141 -15.432 567 HB VAL 80 HB VAL 80 -7.992 16.849 -17.255 568 1HG1 VAL 80 1HG1 VAL 80 -5.067 16.317 -17.846 569 2HG1 VAL 80 2HG1 VAL 80 -5.788 17.863 -17.404 570 3HG1 VAL 80 3HG1 VAL 80 -6.181 17.119 -18.952 571 1HG2 VAL 80 1HG2 VAL 80 -6.677 14.752 -18.790 572 2HG2 VAL 80 2HG2 VAL 80 -8.400 15.076 -18.590 573 3HG2 VAL 80 3HG2 VAL 80 -7.545 14.089 -17.405 574 H MET 81 H MET 81 -4.471 16.805 -15.426 575 HA MET 81 HA MET 81 -2.816 14.615 -16.279 576 1HB MET 81 1HB MET 81 -1.265 16.055 -14.489 577 2HB MET 81 2HB MET 81 -2.444 17.252 -15.023 578 1HG MET 81 1HG MET 81 -1.716 17.187 -17.220 579 2HG MET 81 2HG MET 81 -1.156 15.519 -17.096 580 1HE MET 81 1HE MET 81 -0.593 19.191 -16.512 581 2HE MET 81 2HE MET 81 0.927 19.329 -15.629 582 3HE MET 81 3HE MET 81 -0.503 18.704 -14.813 583 H MET 82 H MET 82 -4.009 15.701 -13.089 584 HA MET 82 HA MET 82 -2.674 13.596 -11.596 585 1HB MET 82 1HB MET 82 -5.234 14.961 -10.742 586 2HB MET 82 2HB MET 82 -3.691 15.811 -10.695 587 1HG MET 82 1HG MET 82 -4.042 13.101 -9.400 588 2HG MET 82 2HG MET 82 -4.436 14.591 -8.543 589 1HE MET 82 1HE MET 82 -1.506 12.131 -8.431 590 2HE MET 82 2HE MET 82 -0.525 12.767 -9.750 591 3HE MET 82 3HE MET 82 -2.192 12.284 -10.055 592 H VAL 83 H VAL 83 -5.726 13.915 -13.313 593 HA VAL 83 HA VAL 83 -7.054 11.588 -12.304 594 HB VAL 83 HB VAL 83 -7.316 13.401 -14.676 595 1HG1 VAL 83 1HG1 VAL 83 -8.588 10.657 -14.469 596 2HG1 VAL 83 2HG1 VAL 83 -7.616 11.294 -15.797 597 3HG1 VAL 83 3HG1 VAL 83 -9.226 11.945 -15.493 598 1HG2 VAL 83 1HG2 VAL 83 -9.411 13.879 -13.726 599 2HG2 VAL 83 2HG2 VAL 83 -8.385 13.608 -12.316 600 3HG2 VAL 83 3HG2 VAL 83 -9.479 12.340 -12.868 601 NH1 ARG 84 NH1 ARG 84 0.566 13.219 -18.812 602 NH2 ARG 84 NH2 ARG 84 1.012 11.039 -18.376 603 H ARG 84 H ARG 84 -4.609 12.052 -14.831 604 HA ARG 84 HA ARG 84 -4.768 9.141 -15.490 605 1HB ARG 84 1HB ARG 84 -4.979 10.619 -17.425 606 2HB ARG 84 2HB ARG 84 -3.459 9.732 -17.511 607 1HG ARG 84 1HG ARG 84 -2.795 12.021 -16.078 608 2HG ARG 84 2HG ARG 84 -3.922 12.614 -17.295 609 1HD ARG 84 1HD ARG 84 -2.338 12.439 -18.885 610 2HD ARG 84 2HD ARG 84 -2.124 10.728 -18.516 611 HE ARG 84 HE ARG 84 -0.750 12.167 -16.510 612 1HH1 ARG 84 1HH1 ARG 84 1.833 11.090 -18.945 613 2HH1 ARG 84 2HH1 ARG 84 0.772 10.179 -17.922 614 1HH2 ARG 84 1HH2 ARG 84 -0.014 14.026 -18.693 615 2HH2 ARG 84 2HH2 ARG 84 1.386 13.275 -19.384 616 H GLN 85 H GLN 85 -3.268 10.755 -13.229 617 HA GLN 85 HA GLN 85 -0.581 9.523 -13.689 618 1HB GLN 85 1HB GLN 85 -0.093 11.221 -11.665 619 2HB GLN 85 2HB GLN 85 -1.458 12.065 -12.395 620 1HG GLN 85 1HG GLN 85 -0.276 11.906 -14.610 621 2HG GLN 85 2HG GLN 85 1.120 11.238 -13.764 622 1HE2 GLN 85 1HE2 GLN 85 -0.044 14.108 -14.968 623 2HE2 GLN 85 2HE2 GLN 85 0.737 15.191 -13.922 624 H MET 86 H MET 86 -3.247 9.958 -11.391 625 HA MET 86 HA MET 86 -2.085 8.579 -9.170 626 1HB MET 86 1HB MET 86 -4.577 8.118 -8.619 627 2HB MET 86 2HB MET 86 -4.927 9.085 -10.052 628 1HG MET 86 1HG MET 86 -3.468 10.902 -9.057 629 2HG MET 86 2HG MET 86 -3.409 9.948 -7.574 630 1HE MET 86 1HE MET 86 -4.873 11.325 -5.724 631 2HE MET 86 2HE MET 86 -5.714 12.698 -6.440 632 3HE MET 86 3HE MET 86 -4.051 12.350 -6.909 633 H LYS 87 H LYS 87 -3.582 7.416 -12.139 634 HA LYS 87 HA LYS 87 -4.074 4.718 -11.249 635 1HB LYS 87 1HB LYS 87 -5.163 5.588 -13.256 636 2HB LYS 87 2HB LYS 87 -4.197 4.175 -13.672 637 1HG LYS 87 1HG LYS 87 -2.376 6.216 -13.992 638 2HG LYS 87 2HG LYS 87 -3.876 6.986 -14.506 639 1HD LYS 87 1HD LYS 87 -4.298 5.143 -16.081 640 2HD LYS 87 2HD LYS 87 -2.829 4.330 -15.538 641 1HE LYS 87 1HE LYS 87 -1.990 5.441 -17.387 642 2HE LYS 87 2HE LYS 87 -1.737 6.687 -16.166 643 1HZ LYS 87 1HZ LYS 87 -2.809 7.685 -18.018 644 2HZ LYS 87 2HZ LYS 87 -3.963 7.572 -16.777 645 3HZ LYS 87 3HZ LYS 87 -3.998 6.477 -18.077 646 H GLU 88 H GLU 88 -1.135 6.358 -12.069 647 HA GLU 88 HA GLU 88 0.291 3.854 -12.700 648 1HB GLU 88 1HB GLU 88 2.262 5.681 -12.580 649 2HB GLU 88 2HB GLU 88 0.896 6.761 -12.855 650 1HG GLU 88 1HG GLU 88 1.595 6.199 -15.037 651 2HG GLU 88 2HG GLU 88 0.247 5.101 -14.748 652 H ASP 89 H ASP 89 0.827 6.500 -10.340 653 HA ASP 89 HA ASP 89 2.357 4.638 -8.633 654 1HB ASP 89 1HB ASP 89 1.723 7.552 -8.113 655 2HB ASP 89 2HB ASP 89 3.091 7.014 -9.085 656 H ALA 90 H ALA 90 -0.544 6.725 -8.265 657 HA ALA 90 HA ALA 90 -1.153 5.619 -5.637 658 1HB ALA 90 1HB ALA 90 -1.758 7.952 -6.480 659 2HB ALA 90 2HB ALA 90 -3.040 7.073 -5.647 660 3HB ALA 90 3HB ALA 90 -3.043 7.176 -7.406 661 H LYS 91 H LYS 91 -1.052 3.636 -7.925 662 HA LYS 91 HA LYS 91 -3.766 2.809 -8.494 663 1HB LYS 91 1HB LYS 91 -1.262 1.094 -8.581 664 2HB LYS 91 2HB LYS 91 -1.724 2.201 -9.873 665 1HG LYS 91 1HG LYS 91 -3.923 0.452 -9.014 666 2HG LYS 91 2HG LYS 91 -2.542 -0.439 -9.650 667 1HD LYS 91 1HD LYS 91 -2.692 0.581 -11.754 668 2HD LYS 91 2HD LYS 91 -3.575 1.972 -11.123 669 1HE LYS 91 1HE LYS 91 -4.981 -0.571 -10.698 670 2HE LYS 91 2HE LYS 91 -4.712 -0.209 -12.403 671 1HZ LYS 91 1HZ LYS 91 -5.956 1.617 -10.417 672 2HZ LYS 91 2HZ LYS 91 -6.780 0.753 -11.625 673 3HZ LYS 91 3HZ LYS 91 -5.684 1.979 -12.052 674 H GLY 92 H GLY 92 -1.224 1.376 -6.403 675 1HA GLY 92 1HA GLY 92 -2.201 -0.660 -5.070 676 2HA GLY 92 2HA GLY 92 -3.362 0.542 -4.501 677 H LYS 93 H LYS 93 -1.544 2.760 -4.290 678 HA LYS 93 HA LYS 93 0.809 2.134 -2.796 679 1HB LYS 93 1HB LYS 93 0.531 4.319 -3.823 680 2HB LYS 93 2HB LYS 93 0.709 4.517 -2.088 681 1HG LYS 93 1HG LYS 93 -1.988 4.318 -2.242 682 2HG LYS 93 2HG LYS 93 -1.647 5.034 -3.816 683 1HD LYS 93 1HD LYS 93 -0.537 6.127 -1.216 684 2HD LYS 93 2HD LYS 93 -2.037 6.704 -1.940 685 1HE LYS 93 1HE LYS 93 0.163 6.594 -3.871 686 2HE LYS 93 2HE LYS 93 0.521 7.651 -2.507 687 1HZ LYS 93 1HZ LYS 93 -2.057 7.791 -3.948 688 2HZ LYS 93 2HZ LYS 93 -0.695 8.665 -4.464 689 3HZ LYS 93 3HZ LYS 93 -1.356 8.948 -2.925 690 H SER 94 H SER 94 -2.572 2.385 -1.831 691 HA SER 94 HA SER 94 -2.071 2.618 1.015 692 1HB SER 94 1HB SER 94 -4.532 1.257 -0.023 693 2HB SER 94 2HB SER 94 -4.300 2.959 -0.411 694 HG SER 94 HG SER 94 -4.538 3.501 1.617 695 H GLU 95 H GLU 95 -2.663 -0.110 -1.202 696 HA GLU 95 HA GLU 95 -2.518 -2.135 0.869 697 1HB GLU 95 1HB GLU 95 -2.196 -3.661 -1.199 698 2HB GLU 95 2HB GLU 95 -2.465 -2.198 -2.145 699 1HG GLU 95 1HG GLU 95 -4.591 -3.364 -1.837 700 2HG GLU 95 2HG GLU 95 -4.620 -1.855 -0.927 701 H GLU 96 H GLU 96 -0.083 -0.169 0.317 702 HA GLU 96 HA GLU 96 2.121 -1.704 -0.593 703 1HB GLU 96 1HB GLU 96 2.404 0.302 1.635 704 2HB GLU 96 2HB GLU 96 1.957 0.837 0.015 705 1HG GLU 96 1HG GLU 96 4.353 -0.939 0.535 706 2HG GLU 96 2HG GLU 96 4.463 0.821 0.542 707 H GLU 97 H GLU 97 0.499 -1.628 2.545 708 HA GLU 97 HA GLU 97 2.454 -2.896 4.152 709 1HB GLU 97 1HB GLU 97 -0.464 -3.600 4.397 710 2HB GLU 97 2HB GLU 97 0.073 -1.957 4.746 711 1HG GLU 97 1HG GLU 97 1.344 -2.622 6.582 712 2HG GLU 97 2HG GLU 97 1.548 -4.266 5.976 713 H LEU 98 H LEU 98 -0.128 -4.374 2.158 714 HA LEU 98 HA LEU 98 0.737 -7.095 2.643 715 1HB LEU 98 1HB LEU 98 -0.689 -7.498 0.506 716 2HB LEU 98 2HB LEU 98 -1.103 -5.792 0.636 717 HG LEU 98 HG LEU 98 -1.360 -7.564 3.050 718 1HD1 LEU 98 1HD1 LEU 98 -1.757 -5.308 3.574 719 2HD1 LEU 98 2HD1 LEU 98 -3.382 -5.922 3.272 720 3HD1 LEU 98 3HD1 LEU 98 -2.546 -4.990 2.031 721 1HD2 LEU 98 1HD2 LEU 98 -3.720 -8.010 2.349 722 2HD2 LEU 98 2HD2 LEU 98 -2.537 -8.785 1.296 723 3HD2 LEU 98 3HD2 LEU 98 -3.349 -7.310 0.773 724 H ALA 99 H ALA 99 1.375 -4.688 0.111 725 HA ALA 99 HA ALA 99 2.764 -6.363 -1.723 726 1HB ALA 99 1HB ALA 99 3.347 -4.408 -2.815 727 2HB ALA 99 2HB ALA 99 3.677 -3.542 -1.314 728 3HB ALA 99 3HB ALA 99 2.012 -3.808 -1.832 729 H ASN 100 H ASN 100 3.835 -4.742 1.239 730 HA ASN 100 HA ASN 100 6.650 -5.096 0.915 731 1HB ASN 100 1HB ASN 100 5.323 -5.334 3.606 732 2HB ASN 100 2HB ASN 100 5.267 -3.798 2.744 733 1HD2 ASN 100 1HD2 ASN 100 6.769 -2.634 4.069 734 2HD2 ASN 100 2HD2 ASN 100 8.402 -3.072 4.218 735 H CYS 101 H CYS 101 4.294 -7.122 2.728 736 HA CYS 101 HA CYS 101 6.126 -9.280 3.223 737 1HB CYS 101 1HB CYS 101 3.999 -10.631 3.555 738 2HB CYS 101 2HB CYS 101 3.100 -9.187 3.090 739 HG CYS 101 HG CYS 101 4.854 -9.416 5.663 740 H PHE 102 H PHE 102 3.964 -8.516 0.532 741 HA PHE 102 HA PHE 102 4.071 -11.004 -0.855 742 1HB PHE 102 1HB PHE 102 3.968 -8.250 -2.120 743 2HB PHE 102 2HB PHE 102 2.575 -9.008 -1.355 744 HD1 PHE 102 HD1 PHE 102 1.714 -11.206 -2.240 745 HD2 PHE 102 HD2 PHE 102 4.686 -8.890 -4.302 746 HE1 PHE 102 HE1 PHE 102 1.255 -12.469 -4.322 747 HE2 PHE 102 HE2 PHE 102 4.226 -10.154 -6.384 748 HZ PHE 102 HZ PHE 102 2.504 -11.943 -6.392 749 NH1 ARG 103 NH1 ARG 103 7.564 -6.036 -6.729 750 NH2 ARG 103 NH2 ARG 103 9.373 -4.677 -6.888 751 H ARG 103 H ARG 103 6.180 -8.124 -1.053 752 HA ARG 103 HA ARG 103 7.957 -9.246 -3.039 753 1HB ARG 103 1HB ARG 103 9.511 -7.378 -2.095 754 2HB ARG 103 2HB ARG 103 8.103 -6.908 -1.142 755 1HG ARG 103 1HG ARG 103 7.004 -6.083 -2.957 756 2HG ARG 103 2HG ARG 103 7.534 -7.407 -3.997 757 1HD ARG 103 1HD ARG 103 9.692 -6.374 -4.325 758 2HD ARG 103 2HD ARG 103 9.350 -5.151 -3.099 759 HE ARG 103 HE ARG 103 7.795 -4.103 -4.645 760 1HH1 ARG 103 1HH1 ARG 103 9.464 -4.906 -7.858 761 2HH1 ARG 103 2HH1 ARG 103 10.018 -4.041 -6.463 762 1HH2 ARG 103 1HH2 ARG 103 6.829 -6.438 -6.183 763 2HH2 ARG 103 2HH2 ARG 103 7.651 -6.269 -7.698 764 H ILE 104 H ILE 104 7.972 -9.170 0.517 765 HA ILE 104 HA ILE 104 10.616 -10.127 0.949 766 HB ILE 104 HB ILE 104 8.075 -10.465 2.569 767 1HG1 ILE 104 1HG1 ILE 104 9.289 -8.179 2.135 768 2HG1 ILE 104 2HG1 ILE 104 10.485 -8.800 3.272 769 1HG2 ILE 104 1HG2 ILE 104 9.743 -10.980 4.449 770 2HG2 ILE 104 2HG2 ILE 104 10.923 -11.285 3.175 771 3HG2 ILE 104 3HG2 ILE 104 9.464 -12.270 3.281 772 1HD1 ILE 104 1HD1 ILE 104 9.139 -8.097 4.940 773 2HD1 ILE 104 2HD1 ILE 104 7.993 -9.346 4.455 774 3HD1 ILE 104 3HD1 ILE 104 7.847 -7.713 3.803 775 H PHE 105 H PHE 105 7.590 -11.912 0.307 776 HA PHE 105 HA PHE 105 8.905 -14.507 0.617 777 1HB PHE 105 1HB PHE 105 6.643 -15.232 -0.522 778 2HB PHE 105 2HB PHE 105 6.160 -13.573 -0.170 779 HD1 PHE 105 HD1 PHE 105 6.691 -12.743 2.293 780 HD2 PHE 105 HD2 PHE 105 6.366 -16.868 1.132 781 HE1 PHE 105 HE1 PHE 105 6.253 -13.372 4.650 782 HE2 PHE 105 HE2 PHE 105 5.929 -17.495 3.491 783 HZ PHE 105 HZ PHE 105 5.873 -15.747 5.250 784 H ASP 106 H ASP 106 8.122 -12.304 -2.035 785 HA ASP 106 HA ASP 106 8.880 -14.282 -4.084 786 1HB ASP 106 1HB ASP 106 8.386 -11.318 -4.494 787 2HB ASP 106 2HB ASP 106 7.067 -12.475 -4.347 788 H LYS 107 H LYS 107 11.077 -14.577 -3.130 789 HA LYS 107 HA LYS 107 12.996 -12.408 -3.110 790 1HB LYS 107 1HB LYS 107 14.677 -14.176 -2.791 791 2HB LYS 107 2HB LYS 107 13.472 -15.401 -3.185 792 1HG LYS 107 1HG LYS 107 12.136 -14.766 -1.243 793 2HG LYS 107 2HG LYS 107 13.227 -13.426 -0.891 794 1HD LYS 107 1HD LYS 107 14.340 -16.210 -1.078 795 2HD LYS 107 2HD LYS 107 13.492 -15.721 0.390 796 1HE LYS 107 1HE LYS 107 15.544 -13.852 -0.725 797 2HE LYS 107 2HE LYS 107 16.119 -15.307 0.086 798 1HZ LYS 107 1HZ LYS 107 15.846 -13.389 1.588 799 2HZ LYS 107 2HZ LYS 107 14.891 -14.720 2.040 800 3HZ LYS 107 3HZ LYS 107 14.183 -13.386 1.261 801 H ASN 108 H ASN 108 11.824 -14.516 -5.643 802 HA ASN 108 HA ASN 108 14.148 -14.012 -7.365 803 1HB ASN 108 1HB ASN 108 13.123 -16.186 -7.585 804 2HB ASN 108 2HB ASN 108 12.784 -15.283 -9.054 805 1HD2 ASN 108 1HD2 ASN 108 11.316 -16.866 -6.315 806 2HD2 ASN 108 2HD2 ASN 108 9.707 -16.504 -6.716 807 H ALA 109 H ALA 109 11.157 -12.484 -6.617 808 HA ALA 109 HA ALA 109 10.076 -10.625 -7.499 809 1HB ALA 109 1HB ALA 109 12.882 -10.268 -8.548 810 2HB ALA 109 2HB ALA 109 12.090 -9.420 -7.220 811 3HB ALA 109 3HB ALA 109 11.610 -9.094 -8.885 812 H ASP 110 H ASP 110 9.085 -12.635 -8.784 813 HA ASP 110 HA ASP 110 9.362 -12.022 -11.700 814 1HB ASP 110 1HB ASP 110 8.243 -14.418 -11.831 815 2HB ASP 110 2HB ASP 110 8.938 -14.593 -10.220 816 H GLY 111 H GLY 111 7.448 -11.143 -9.272 817 1HA GLY 111 1HA GLY 111 5.002 -11.209 -10.972 818 2HA GLY 111 2HA GLY 111 5.355 -9.987 -9.757 819 H PHE 112 H PHE 112 5.594 -13.539 -9.396 820 HA PHE 112 HA PHE 112 3.584 -13.307 -7.193 821 1HB PHE 112 1HB PHE 112 2.468 -15.295 -7.882 822 2HB PHE 112 2HB PHE 112 3.744 -15.707 -9.024 823 HD1 PHE 112 HD1 PHE 112 1.545 -12.729 -8.325 824 HD2 PHE 112 HD2 PHE 112 3.194 -15.394 -11.261 825 HE1 PHE 112 HE1 PHE 112 0.339 -11.505 -10.109 826 HE2 PHE 112 HE2 PHE 112 1.989 -14.165 -13.046 827 HZ PHE 112 HZ PHE 112 0.565 -12.221 -12.472 828 H ILE 113 H ILE 113 3.775 -15.012 -5.566 829 HA ILE 113 HA ILE 113 6.600 -15.766 -5.099 830 HB ILE 113 HB ILE 113 4.086 -15.966 -3.402 831 1HG1 ILE 113 1HG1 ILE 113 6.529 -14.188 -3.436 832 2HG1 ILE 113 2HG1 ILE 113 5.628 -14.438 -1.945 833 1HG2 ILE 113 1HG2 ILE 113 5.710 -16.630 -1.568 834 2HG2 ILE 113 2HG2 ILE 113 6.907 -16.911 -2.832 835 3HG2 ILE 113 3HG2 ILE 113 5.425 -17.866 -2.792 836 1HD1 ILE 113 1HD1 ILE 113 3.560 -13.904 -3.556 837 2HD1 ILE 113 2HD1 ILE 113 4.808 -13.024 -4.437 838 3HD1 ILE 113 3HD1 ILE 113 4.469 -12.624 -2.754 839 H ASP 114 H ASP 114 7.342 -17.915 -5.124 840 HA ASP 114 HA ASP 114 5.472 -19.904 -6.303 841 1HB ASP 114 1HB ASP 114 8.421 -20.329 -5.888 842 2HB ASP 114 2HB ASP 114 7.811 -19.393 -7.243 843 H ILE 115 H ILE 115 5.728 -22.145 -5.563 844 HA ILE 115 HA ILE 115 5.225 -22.372 -2.731 845 HB ILE 115 HB ILE 115 4.216 -23.877 -4.437 846 1HG1 ILE 115 1HG1 ILE 115 4.142 -24.734 -2.247 847 2HG1 ILE 115 2HG1 ILE 115 5.877 -25.023 -2.199 848 1HG2 ILE 115 1HG2 ILE 115 6.942 -25.178 -4.612 849 2HG2 ILE 115 2HG2 ILE 115 6.342 -24.041 -5.817 850 3HG2 ILE 115 3HG2 ILE 115 5.504 -25.567 -5.553 851 1HD1 ILE 115 1HD1 ILE 115 5.718 -26.910 -3.611 852 2HD1 ILE 115 2HD1 ILE 115 4.105 -26.466 -4.169 853 3HD1 ILE 115 3HD1 ILE 115 4.335 -27.072 -2.529 854 H GLU 116 H GLU 116 7.970 -23.123 -4.824 855 HA GLU 116 HA GLU 116 9.603 -24.392 -2.830 856 1HB GLU 116 1HB GLU 116 10.012 -24.458 -5.327 857 2HB GLU 116 2HB GLU 116 11.444 -24.107 -4.361 858 1HG GLU 116 1HG GLU 116 11.394 -21.801 -4.929 859 2HG GLU 116 2HG GLU 116 9.739 -21.900 -5.528 860 H GLU 117 H GLU 117 9.064 -21.013 -3.696 861 HA GLU 117 HA GLU 117 11.215 -19.876 -2.173 862 1HB GLU 117 1HB GLU 117 9.571 -17.846 -2.143 863 2HB GLU 117 2HB GLU 117 8.572 -18.845 -3.194 864 1HG GLU 117 1HG GLU 117 9.967 -17.483 -4.612 865 2HG GLU 117 2HG GLU 117 10.589 -19.131 -4.693 866 H LEU 118 H LEU 118 7.803 -20.573 -1.392 867 HA LEU 118 HA LEU 118 7.860 -19.512 1.273 868 1HB LEU 118 1HB LEU 118 6.116 -21.745 0.196 869 2HB LEU 118 2HB LEU 118 5.792 -20.027 -0.037 870 HG LEU 118 HG LEU 118 6.304 -20.528 2.757 871 1HD1 LEU 118 1HD1 LEU 118 3.974 -19.605 2.932 872 2HD1 LEU 118 2HD1 LEU 118 3.854 -19.685 1.174 873 3HD1 LEU 118 3HD1 LEU 118 5.041 -18.621 1.930 874 1HD2 LEU 118 1HD2 LEU 118 4.248 -22.301 1.404 875 2HD2 LEU 118 2HD2 LEU 118 4.223 -21.938 3.130 876 3HD2 LEU 118 3HD2 LEU 118 5.589 -22.806 2.432 877 H GLY 119 H GLY 119 8.814 -22.668 -0.017 878 1HA GLY 119 1HA GLY 119 9.821 -24.505 1.026 879 2HA GLY 119 2HA GLY 119 8.852 -24.119 2.440 880 H GLU 120 H GLU 120 11.667 -22.677 0.719 881 HA GLU 120 HA GLU 120 13.447 -22.991 2.951 882 1HB GLU 120 1HB GLU 120 14.726 -21.087 1.697 883 2HB GLU 120 2HB GLU 120 13.518 -21.346 0.435 884 1HG GLU 120 1HG GLU 120 14.409 -23.360 -0.162 885 2HG GLU 120 2HG GLU 120 14.718 -23.825 1.511 886 H ILE 121 H ILE 121 11.313 -20.320 1.957 887 HA ILE 121 HA ILE 121 12.336 -18.367 3.778 888 HB ILE 121 HB ILE 121 9.639 -18.754 2.466 889 1HG1 ILE 121 1HG1 ILE 121 11.790 -17.944 1.272 890 2HG1 ILE 121 2HG1 ILE 121 11.595 -16.463 2.209 891 1HG2 ILE 121 1HG2 ILE 121 9.046 -17.675 4.517 892 2HG2 ILE 121 2HG2 ILE 121 9.174 -16.384 3.324 893 3HG2 ILE 121 3HG2 ILE 121 10.482 -16.651 4.476 894 1HD1 ILE 121 1HD1 ILE 121 9.045 -17.035 1.141 895 2HD1 ILE 121 2HD1 ILE 121 10.188 -17.306 -0.174 896 3HD1 ILE 121 3HD1 ILE 121 10.143 -15.747 0.646 897 H LEU 122 H LEU 122 9.763 -20.831 4.161 898 HA LEU 122 HA LEU 122 9.151 -20.063 6.887 899 1HB LEU 122 1HB LEU 122 8.293 -22.614 6.803 900 2HB LEU 122 2HB LEU 122 8.452 -22.321 5.072 901 HG LEU 122 HG LEU 122 7.150 -20.130 5.522 902 1HD1 LEU 122 1HD1 LEU 122 5.453 -22.536 6.095 903 2HD1 LEU 122 2HD1 LEU 122 6.335 -22.456 4.569 904 3HD1 LEU 122 3HD1 LEU 122 5.161 -21.204 4.977 905 1HD2 LEU 122 1HD2 LEU 122 7.199 -19.948 7.882 906 2HD2 LEU 122 2HD2 LEU 122 6.773 -21.644 8.109 907 3HD2 LEU 122 3HD2 LEU 122 5.561 -20.499 7.534 908 NH1 ARG 123 NH1 ARG 123 13.876 -29.251 7.422 909 NH2 ARG 123 NH2 ARG 123 13.160 -28.874 9.543 910 H ARG 123 H ARG 123 11.237 -22.574 5.445 911 HA ARG 123 HA ARG 123 12.073 -23.695 7.975 912 1HB ARG 123 1HB ARG 123 14.096 -24.383 6.311 913 2HB ARG 123 2HB ARG 123 12.861 -23.967 5.124 914 1HG ARG 123 1HG ARG 123 12.530 -26.281 5.573 915 2HG ARG 123 2HG ARG 123 11.273 -25.454 6.493 916 1HD ARG 123 1HD ARG 123 12.562 -25.646 8.537 917 2HD ARG 123 2HD ARG 123 13.956 -26.266 7.654 918 HE ARG 123 HE ARG 123 11.418 -27.822 7.599 919 1HH1 ARG 123 1HH1 ARG 123 14.473 -29.983 7.752 920 2HH1 ARG 123 2HH1 ARG 123 13.850 -29.029 6.448 921 1HH2 ARG 123 1HH2 ARG 123 12.589 -28.365 10.187 922 2HH2 ARG 123 2HH2 ARG 123 13.757 -29.606 9.875 923 H ALA 124 H ALA 124 13.203 -20.978 6.036 924 HA ALA 124 HA ALA 124 15.827 -20.648 7.005 925 1HB ALA 124 1HB ALA 124 15.009 -19.248 5.225 926 2HB ALA 124 2HB ALA 124 15.437 -18.192 6.570 927 3HB ALA 124 3HB ALA 124 13.745 -18.580 6.258 928 H THR 125 H THR 125 12.832 -20.238 8.760 929 HA THR 125 HA THR 125 13.698 -18.372 10.744 930 HB THR 125 HB THR 125 11.895 -19.348 12.157 931 HG1 THR 125 HG1 THR 125 11.409 -21.126 10.017 932 1HG2 THR 125 1HG2 THR 125 11.173 -17.687 10.609 933 2HG2 THR 125 2HG2 THR 125 10.027 -19.017 10.448 934 3HG2 THR 125 3HG2 THR 125 11.298 -18.797 9.245 935 H GLY 126 H GLY 126 14.041 -21.913 10.529 936 1HA GLY 126 1HA GLY 126 15.982 -21.754 12.799 937 2HA GLY 126 2HA GLY 126 16.058 -22.948 11.505 938 H GLU 127 H GLU 127 12.905 -22.229 12.761 939 HA GLU 127 HA GLU 127 12.847 -24.108 14.935 940 1HB GLU 127 1HB GLU 127 10.260 -24.017 14.196 941 2HB GLU 127 2HB GLU 127 10.843 -22.594 13.333 942 1HG GLU 127 1HG GLU 127 11.759 -21.677 15.411 943 2HG GLU 127 2HG GLU 127 11.281 -23.132 16.287 944 H HIS 128 H HIS 128 11.788 -26.205 14.963 945 HA HIS 128 HA HIS 128 12.394 -27.796 12.570 946 1HB HIS 128 1HB HIS 128 11.394 -29.650 14.147 947 2HB HIS 128 2HB HIS 128 11.530 -28.405 15.388 948 HD1 HIS 128 HD1 HIS 128 13.380 -31.143 14.339 949 HD2 HIS 128 HD2 HIS 128 14.420 -27.144 14.891 950 HE1 HIS 128 HE1 HIS 128 15.895 -31.090 14.638 951 H VAL 129 H VAL 129 10.761 -26.783 11.158 952 HA VAL 129 HA VAL 129 7.928 -27.163 11.825 953 HB VAL 129 HB VAL 129 8.723 -25.201 10.509 954 1HG1 VAL 129 1HG1 VAL 129 9.723 -25.367 8.440 955 2HG1 VAL 129 2HG1 VAL 129 8.922 -26.891 8.060 956 3HG1 VAL 129 3HG1 VAL 129 10.308 -26.872 9.149 957 1HG2 VAL 129 1HG2 VAL 129 6.368 -26.251 10.356 958 2HG2 VAL 129 2HG2 VAL 129 6.889 -26.861 8.786 959 3HG2 VAL 129 3HG2 VAL 129 6.840 -25.124 9.085 960 H ILE 130 H ILE 130 6.486 -28.388 10.418 961 HA ILE 130 HA ILE 130 7.779 -30.907 9.458 962 HB ILE 130 HB ILE 130 5.157 -31.564 9.546 963 1HG1 ILE 130 1HG1 ILE 130 4.752 -29.167 10.480 964 2HG1 ILE 130 2HG1 ILE 130 5.435 -29.800 11.977 965 1HG2 ILE 130 1HG2 ILE 130 6.840 -32.872 10.636 966 2HG2 ILE 130 2HG2 ILE 130 5.670 -32.437 11.881 967 3HG2 ILE 130 3HG2 ILE 130 7.204 -31.575 11.775 968 1HD1 ILE 130 1HD1 ILE 130 3.092 -31.019 10.481 969 2HD1 ILE 130 2HD1 ILE 130 2.951 -29.999 11.912 970 3HD1 ILE 130 3HD1 ILE 130 3.741 -31.572 12.026 971 H GLU 131 H GLU 131 7.046 -31.852 7.469 972 HA GLU 131 HA GLU 131 6.465 -29.934 5.380 973 1HB GLU 131 1HB GLU 131 6.911 -32.886 5.560 974 2HB GLU 131 2HB GLU 131 7.678 -31.700 4.507 975 1HG GLU 131 1HG GLU 131 5.535 -31.541 3.214 976 2HG GLU 131 2HG GLU 131 4.886 -32.841 4.215 977 H GLU 132 H GLU 132 4.538 -32.194 7.299 978 HA GLU 132 HA GLU 132 2.131 -32.082 5.751 979 1HB GLU 132 1HB GLU 132 1.014 -32.685 7.934 980 2HB GLU 132 2HB GLU 132 2.580 -32.491 8.722 981 1HG GLU 132 1HG GLU 132 3.209 -34.138 6.604 982 2HG GLU 132 2HG GLU 132 1.587 -34.690 7.028 983 H ASP 133 H ASP 133 3.554 -29.908 8.151 984 HA ASP 133 HA ASP 133 1.168 -28.221 8.368 985 1HB ASP 133 1HB ASP 133 4.047 -27.710 9.188 986 2HB ASP 133 2HB ASP 133 2.786 -28.371 10.226 987 H ILE 134 H ILE 134 4.316 -28.025 6.688 988 HA ILE 134 HA ILE 134 3.857 -25.448 5.500 989 HB ILE 134 HB ILE 134 5.604 -27.731 4.515 990 1HG1 ILE 134 1HG1 ILE 134 7.414 -26.625 5.724 991 2HG1 ILE 134 2HG1 ILE 134 6.102 -26.962 6.850 992 1HG2 ILE 134 1HG2 ILE 134 5.440 -24.796 3.809 993 2HG2 ILE 134 2HG2 ILE 134 5.373 -26.185 2.724 994 3HG2 ILE 134 3HG2 ILE 134 6.892 -25.751 3.507 995 1HD1 ILE 134 1HD1 ILE 134 6.569 -24.301 5.470 996 2HD1 ILE 134 2HD1 ILE 134 7.011 -24.666 7.137 997 3HD1 ILE 134 3HD1 ILE 134 5.313 -24.647 6.659 998 H GLU 135 H GLU 135 3.400 -28.768 4.236 999 HA GLU 135 HA GLU 135 2.365 -27.966 1.682 1000 1HB GLU 135 1HB GLU 135 1.495 -30.510 3.028 1001 2HB GLU 135 2HB GLU 135 3.179 -30.310 2.542 1002 1HG GLU 135 1HG GLU 135 2.212 -29.603 0.241 1003 2HG GLU 135 2HG GLU 135 0.706 -30.325 0.809 1004 H ASP 136 H ASP 136 0.630 -29.037 4.648 1005 HA ASP 136 HA ASP 136 -2.006 -28.680 3.682 1006 1HB ASP 136 1HB ASP 136 -1.149 -28.104 6.527 1007 2HB ASP 136 2HB ASP 136 -1.302 -29.741 5.889 1008 H LEU 137 H LEU 137 0.271 -26.289 5.001 1009 HA LEU 137 HA LEU 137 -1.506 -24.127 5.398 1010 1HB LEU 137 1HB LEU 137 1.277 -23.840 4.243 1011 2HB LEU 137 2HB LEU 137 0.992 -24.239 5.937 1012 HG LEU 137 HG LEU 137 -0.390 -21.870 4.696 1013 1HD1 LEU 137 1HD1 LEU 137 0.679 -22.271 7.497 1014 2HD1 LEU 137 2HD1 LEU 137 -0.918 -22.840 7.010 1015 3HD1 LEU 137 3HD1 LEU 137 -0.539 -21.118 6.954 1016 1HD2 LEU 137 1HD2 LEU 137 1.503 -20.457 5.387 1017 2HD2 LEU 137 2HD2 LEU 137 2.030 -21.642 4.191 1018 3HD2 LEU 137 3HD2 LEU 137 2.399 -21.888 5.898 1019 H MET 138 H MET 138 0.226 -25.093 2.410 1020 HA MET 138 HA MET 138 -0.968 -23.007 0.798 1021 1HB MET 138 1HB MET 138 0.019 -25.580 -0.393 1022 2HB MET 138 2HB MET 138 1.172 -24.481 0.365 1023 1HG MET 138 1HG MET 138 0.075 -22.638 -1.076 1024 2HG MET 138 2HG MET 138 -0.645 -23.960 -1.994 1025 1HE MET 138 1HE MET 138 2.276 -21.546 -2.210 1026 2HE MET 138 2HE MET 138 0.844 -21.848 -3.192 1027 3HE MET 138 3HE MET 138 2.442 -22.206 -3.842 1028 H LYS 139 H LYS 139 -1.995 -26.245 1.737 1029 HA LYS 139 HA LYS 139 -3.911 -26.749 -0.317 1030 1HB LYS 139 1HB LYS 139 -4.992 -28.263 1.286 1031 2HB LYS 139 2HB LYS 139 -4.103 -27.523 2.614 1032 1HG LYS 139 1HG LYS 139 -2.996 -29.594 1.982 1033 2HG LYS 139 2HG LYS 139 -1.968 -28.241 1.519 1034 1HD LYS 139 1HD LYS 139 -2.358 -28.549 -0.748 1035 2HD LYS 139 2HD LYS 139 -3.947 -29.267 -0.482 1036 1HE LYS 139 1HE LYS 139 -2.913 -31.324 0.345 1037 2HE LYS 139 2HE LYS 139 -1.310 -30.602 0.207 1038 1HZ LYS 139 1HZ LYS 139 -1.616 -30.414 -2.168 1039 2HZ LYS 139 2HZ LYS 139 -3.187 -31.052 -2.052 1040 3HZ LYS 139 3HZ LYS 139 -1.842 -32.023 -1.687 1041 H ASP 140 H ASP 140 -4.223 -25.024 2.785 1042 HA ASP 140 HA ASP 140 -7.031 -24.388 2.400 1043 1HB ASP 140 1HB ASP 140 -6.748 -22.928 4.352 1044 2HB ASP 140 2HB ASP 140 -4.996 -23.084 4.240 1045 H SER 141 H SER 141 -3.954 -22.740 1.753 1046 HA SER 141 HA SER 141 -5.263 -20.253 0.942 1047 1HB SER 141 1HB SER 141 -2.988 -19.556 0.275 1048 2HB SER 141 2HB SER 141 -2.403 -21.190 0.576 1049 HG SER 141 HG SER 141 -3.206 -19.229 2.384 1050 H ASP 142 H ASP 142 -5.139 -23.224 -0.552 1051 HA ASP 142 HA ASP 142 -4.577 -22.257 -3.281 1052 1HB ASP 142 1HB ASP 142 -5.794 -24.869 -3.230 1053 2HB ASP 142 2HB ASP 142 -4.575 -24.781 -1.960 1054 H LYS 143 H LYS 143 -6.493 -20.638 -2.668 1055 HA LYS 143 HA LYS 143 -9.190 -21.698 -2.916 1056 1HB LYS 143 1HB LYS 143 -9.769 -19.229 -3.211 1057 2HB LYS 143 2HB LYS 143 -8.047 -18.898 -3.018 1058 1HG LYS 143 1HG LYS 143 -9.000 -20.713 -0.954 1059 2HG LYS 143 2HG LYS 143 -9.936 -19.220 -0.962 1060 1HD LYS 143 1HD LYS 143 -7.456 -18.183 -1.228 1061 2HD LYS 143 2HD LYS 143 -7.056 -19.657 -0.347 1062 1HE LYS 143 1HE LYS 143 -7.490 -18.111 1.375 1063 2HE LYS 143 2HE LYS 143 -9.021 -18.972 1.225 1064 1HZ LYS 143 1HZ LYS 143 -9.903 -17.214 -0.105 1065 2HZ LYS 143 2HZ LYS 143 -8.403 -16.419 -0.158 1066 3HZ LYS 143 3HZ LYS 143 -9.257 -16.528 1.305 1067 H ASN 144 H ASN 144 -6.958 -20.000 -5.137 1068 HA ASN 144 HA ASN 144 -8.878 -20.374 -7.364 1069 1HB ASN 144 1HB ASN 144 -7.022 -19.154 -8.659 1070 2HB ASN 144 2HB ASN 144 -6.245 -18.912 -7.097 1071 1HD2 ASN 144 1HD2 ASN 144 -6.682 -16.525 -7.688 1072 2HD2 ASN 144 2HD2 ASN 144 -8.197 -15.883 -7.274 1073 H ASN 145 H ASN 145 -5.900 -21.730 -6.108 1074 HA ASN 145 HA ASN 145 -4.718 -23.637 -6.718 1075 1HB ASN 145 1HB ASN 145 -6.733 -24.294 -8.848 1076 2HB ASN 145 2HB ASN 145 -7.207 -24.409 -7.157 1077 1HD2 ASN 145 1HD2 ASN 145 -6.934 -26.512 -6.386 1078 2HD2 ASN 145 2HD2 ASN 145 -5.693 -27.570 -6.853 1079 H ASP 146 H ASP 146 -3.321 -21.805 -7.639 1080 HA ASP 146 HA ASP 146 -3.107 -22.093 -10.612 1081 1HB ASP 146 1HB ASP 146 -1.782 -19.838 -10.295 1082 2HB ASP 146 2HB ASP 146 -2.676 -19.751 -8.777 1083 H GLY 147 H GLY 147 -1.488 -22.486 -7.557 1084 1HA GLY 147 1HA GLY 147 0.992 -23.294 -9.015 1085 2HA GLY 147 2HA GLY 147 0.458 -23.997 -7.487 1086 NH1 ARG 148 NH1 ARG 148 4.119 -18.931 -12.110 1087 NH2 ARG 148 NH2 ARG 148 4.140 -21.048 -12.928 1088 H ARG 148 H ARG 148 0.676 -20.582 -8.511 1089 HA ARG 148 HA ARG 148 2.672 -20.125 -6.338 1090 1HB ARG 148 1HB ARG 148 3.079 -17.972 -7.676 1091 2HB ARG 148 2HB ARG 148 2.112 -18.712 -8.946 1092 1HG ARG 148 1HG ARG 148 4.379 -20.250 -7.720 1093 2HG ARG 148 2HG ARG 148 4.715 -19.031 -8.944 1094 1HD ARG 148 1HD ARG 148 2.611 -20.421 -10.062 1095 2HD ARG 148 2HD ARG 148 3.514 -21.693 -9.241 1096 HE ARG 148 HE ARG 148 5.502 -21.001 -10.567 1097 1HH1 ARG 148 1HH1 ARG 148 3.903 -20.701 -13.837 1098 2HH1 ARG 148 2HH1 ARG 148 4.269 -22.029 -12.786 1099 1HH2 ARG 148 1HH2 ARG 148 4.231 -18.298 -11.344 1100 2HH2 ARG 148 2HH2 ARG 148 3.880 -18.581 -13.017 1101 H ILE 149 H ILE 149 2.498 -17.855 -5.402 1102 HA ILE 149 HA ILE 149 -0.372 -17.247 -4.853 1103 HB ILE 149 HB ILE 149 2.145 -16.544 -3.302 1104 1HG1 ILE 149 1HG1 ILE 149 1.032 -18.934 -3.301 1105 2HG1 ILE 149 2HG1 ILE 149 -0.189 -18.155 -2.294 1106 1HG2 ILE 149 1HG2 ILE 149 -0.723 -15.665 -3.050 1107 2HG2 ILE 149 2HG2 ILE 149 0.750 -14.715 -2.859 1108 3HG2 ILE 149 3HG2 ILE 149 0.258 -15.843 -1.596 1109 1HD1 ILE 149 1HD1 ILE 149 2.780 -17.999 -1.718 1110 2HD1 ILE 149 2HD1 ILE 149 1.729 -19.232 -1.024 1111 3HD1 ILE 149 3HD1 ILE 149 1.454 -17.530 -0.654 1112 H ASP 150 H ASP 150 -1.160 -15.541 -5.954 1113 HA ASP 150 HA ASP 150 0.735 -13.538 -7.056 1114 1HB ASP 150 1HB ASP 150 -0.857 -13.055 -8.702 1115 2HB ASP 150 2HB ASP 150 -2.205 -13.543 -7.688 1116 H PHE 151 H PHE 151 0.076 -11.218 -6.941 1117 HA PHE 151 HA PHE 151 -0.473 -10.376 -4.276 1118 1HB PHE 151 1HB PHE 151 -0.958 -8.695 -6.747 1119 2HB PHE 151 2HB PHE 151 0.658 -9.022 -6.121 1120 HD1 PHE 151 HD1 PHE 151 0.961 -8.585 -3.522 1121 HD2 PHE 151 HD2 PHE 151 -2.115 -6.823 -5.950 1122 HE1 PHE 151 HE1 PHE 151 0.676 -6.777 -1.850 1123 HE2 PHE 151 HE2 PHE 151 -2.397 -5.014 -4.278 1124 HZ PHE 151 HZ PHE 151 -1.002 -4.991 -2.230 1125 H ASP 152 H ASP 152 -2.616 -11.012 -7.001 1126 HA ASP 152 HA ASP 152 -4.971 -9.697 -6.111 1127 1HB ASP 152 1HB ASP 152 -6.184 -11.404 -7.466 1128 2HB ASP 152 2HB ASP 152 -4.687 -12.326 -7.606 1129 H GLU 153 H GLU 153 -4.108 -13.155 -5.644 1130 HA GLU 153 HA GLU 153 -6.165 -13.575 -3.656 1131 1HB GLU 153 1HB GLU 153 -5.254 -15.455 -4.959 1132 2HB GLU 153 2HB GLU 153 -5.020 -15.733 -3.235 1133 1HG GLU 153 1HG GLU 153 -2.684 -14.884 -3.446 1134 2HG GLU 153 2HG GLU 153 -2.932 -14.699 -5.183 1135 H PHE 154 H PHE 154 -2.801 -12.519 -3.513 1136 HA PHE 154 HA PHE 154 -2.251 -12.937 -0.770 1137 1HB PHE 154 1HB PHE 154 -1.385 -10.464 -2.282 1138 2HB PHE 154 2HB PHE 154 -0.682 -12.047 -2.605 1139 HD1 PHE 154 HD1 PHE 154 0.578 -13.248 -0.841 1140 HD2 PHE 154 HD2 PHE 154 -0.908 -9.264 -0.233 1141 HE1 PHE 154 HE1 PHE 154 2.060 -12.997 1.130 1142 HE2 PHE 154 HE2 PHE 154 0.575 -9.016 1.738 1143 HZ PHE 154 HZ PHE 154 2.057 -10.881 2.420 1144 H LEU 155 H LEU 155 -4.246 -10.464 -2.331 1145 HA LEU 155 HA LEU 155 -4.440 -8.587 -0.210 1146 1HB LEU 155 1HB LEU 155 -6.615 -7.950 -1.214 1147 2HB LEU 155 2HB LEU 155 -6.582 -9.412 -2.198 1148 HG LEU 155 HG LEU 155 -4.252 -8.525 -2.983 1149 1HD1 LEU 155 1HD1 LEU 155 -5.275 -7.675 -4.890 1150 2HD1 LEU 155 2HD1 LEU 155 -6.524 -6.836 -3.969 1151 3HD1 LEU 155 3HD1 LEU 155 -6.608 -8.585 -4.177 1152 1HD2 LEU 155 1HD2 LEU 155 -3.992 -6.704 -1.417 1153 2HD2 LEU 155 2HD2 LEU 155 -5.567 -6.038 -1.853 1154 3HD2 LEU 155 3HD2 LEU 155 -4.239 -5.995 -3.013 1155 H LYS 156 H LYS 156 -6.814 -11.179 -0.974 1156 HA LYS 156 HA LYS 156 -8.092 -10.949 1.619 1157 1HB LYS 156 1HB LYS 156 -9.288 -11.786 -0.381 1158 2HB LYS 156 2HB LYS 156 -9.368 -12.931 0.956 1159 1HG LYS 156 1HG LYS 156 -7.893 -14.430 -0.067 1160 2HG LYS 156 2HG LYS 156 -7.160 -13.179 -1.072 1161 1HD LYS 156 1HD LYS 156 -9.298 -13.001 -2.341 1162 2HD LYS 156 2HD LYS 156 -9.956 -14.321 -1.375 1163 1HE LYS 156 1HE LYS 156 -8.707 -15.907 -2.460 1164 2HE LYS 156 2HE LYS 156 -7.324 -14.833 -2.656 1165 1HZ LYS 156 1HZ LYS 156 -8.412 -15.347 -4.771 1166 2HZ LYS 156 2HZ LYS 156 -8.472 -13.687 -4.420 1167 3HZ LYS 156 3HZ LYS 156 -9.853 -14.653 -4.205 1168 H MET 157 H MET 157 -5.314 -12.712 0.474 1169 HA MET 157 HA MET 157 -5.305 -14.812 2.443 1170 1HB MET 157 1HB MET 157 -2.652 -13.907 1.591 1171 2HB MET 157 2HB MET 157 -3.753 -14.146 0.236 1172 1HG MET 157 1HG MET 157 -3.767 -16.398 0.503 1173 2HG MET 157 2HG MET 157 -3.911 -16.273 2.256 1174 1HE MET 157 1HE MET 157 -0.523 -16.249 3.693 1175 2HE MET 157 2HE MET 157 -2.277 -16.233 3.864 1176 3HE MET 157 3HE MET 157 -1.432 -14.762 3.385 1177 H MET 158 H MET 158 -4.196 -11.448 2.506 1178 HA MET 158 HA MET 158 -3.027 -11.892 5.210 1179 1HB MET 158 1HB MET 158 -2.910 -9.269 3.748 1180 2HB MET 158 2HB MET 158 -1.854 -10.591 3.245 1181 1HG MET 158 1HG MET 158 -1.418 -10.721 5.888 1182 2HG MET 158 2HG MET 158 -1.862 -9.018 5.786 1183 1HE MET 158 1HE MET 158 2.012 -10.967 4.920 1184 2HE MET 158 2HE MET 158 0.476 -11.743 5.299 1185 3HE MET 158 3HE MET 158 1.188 -10.608 6.444 1186 H GLU 159 H GLU 159 -5.963 -11.847 4.699 1187 HA GLU 159 HA GLU 159 -7.032 -9.306 5.568 1188 1HB GLU 159 1HB GLU 159 -8.440 -11.923 6.048 1189 2HB GLU 159 2HB GLU 159 -8.222 -11.337 4.399 1190 1HG GLU 159 1HG GLU 159 -9.676 -9.585 4.689 1191 2HG GLU 159 2HG GLU 159 -9.228 -9.358 6.380 1192 H GLY 160 H GLY 160 -5.837 -12.178 7.232 1193 1HA GLY 160 1HA GLY 160 -6.777 -12.257 9.734 1194 2HA GLY 160 2HA GLY 160 -5.961 -10.694 9.797 1195 H VAL 161 H VAL 161 -3.614 -10.682 9.376 1196 HA VAL 161 HA VAL 161 -2.308 -13.347 9.683 1197 HB VAL 161 HB VAL 161 -1.627 -11.984 7.723 1198 1HG1 VAL 161 1HG1 VAL 161 -1.288 -9.929 9.824 1199 2HG1 VAL 161 2HG1 VAL 161 -1.646 -9.741 8.108 1200 3HG1 VAL 161 3HG1 VAL 161 0.014 -10.008 8.638 1201 1HG2 VAL 161 1HG2 VAL 161 -0.033 -13.444 9.326 1202 2HG2 VAL 161 2HG2 VAL 161 0.780 -11.885 9.475 1203 3HG2 VAL 161 3HG2 VAL 161 0.573 -12.623 7.887 1204 H GLN 162 H GLN 162 -3.393 -12.640 12.010 1205 HA GLN 162 HA GLN 162 -1.205 -11.359 13.596 1206 1HB GLN 162 1HB GLN 162 -3.965 -11.796 14.693 1207 2HB GLN 162 2HB GLN 162 -3.694 -10.470 13.563 1208 1HG GLN 162 1HG GLN 162 -2.223 -9.370 15.008 1209 2HG GLN 162 2HG GLN 162 -1.828 -10.848 15.889 1210 1HE2 GLN 162 1HE2 GLN 162 -4.275 -8.294 15.523 1211 2HE2 GLN 162 2HE2 GLN 162 -5.124 -8.667 16.945 Start of MODEL 10 Raw file had 1211 H/Q atoms Start of MODEL 10 1 1H ALA 1 1H ALA 1 -14.593 11.347 -37.401 2 2H ALA 1 2H ALA 1 -13.173 12.065 -37.998 3 3H ALA 1 3H ALA 1 -14.669 12.395 -38.733 4 HA ALA 1 HA ALA 1 -14.068 14.272 -37.400 5 1HB ALA 1 1HB ALA 1 -16.135 12.693 -35.853 6 2HB ALA 1 2HB ALA 1 -16.470 13.391 -37.438 7 3HB ALA 1 3HB ALA 1 -16.055 14.441 -36.082 8 H SER 2 H SER 2 -14.006 15.000 -34.994 9 HA SER 2 HA SER 2 -12.618 15.108 -33.114 10 1HB SER 2 1HB SER 2 -14.426 13.842 -32.163 11 2HB SER 2 2HB SER 2 -12.926 13.141 -31.570 12 HG SER 2 HG SER 2 -14.025 11.417 -32.246 13 H MET 3 H MET 3 -10.690 15.144 -34.578 14 HA MET 3 HA MET 3 -9.116 12.643 -34.680 15 1HB MET 3 1HB MET 3 -8.135 15.355 -35.563 16 2HB MET 3 2HB MET 3 -9.269 14.439 -36.556 17 1HG MET 3 1HG MET 3 -7.713 12.841 -37.096 18 2HG MET 3 2HG MET 3 -6.904 12.947 -35.533 19 1HE MET 3 1HE MET 3 -6.140 15.362 -34.797 20 2HE MET 3 2HE MET 3 -4.815 16.098 -35.694 21 3HE MET 3 3HE MET 3 -4.673 14.435 -35.134 22 H THR 4 H THR 4 -9.107 15.764 -32.975 23 HA THR 4 HA THR 4 -6.562 15.091 -31.626 24 HB THR 4 HB THR 4 -7.008 17.293 -30.419 25 HG1 THR 4 HG1 THR 4 -9.058 17.790 -30.671 26 1HG2 THR 4 1HG2 THR 4 -6.871 17.355 -33.447 27 2HG2 THR 4 2HG2 THR 4 -5.499 17.081 -32.371 28 3HG2 THR 4 3HG2 THR 4 -6.336 18.633 -32.357 29 H ASP 5 H ASP 5 -7.998 13.084 -30.851 30 HA ASP 5 HA ASP 5 -9.751 13.617 -28.582 31 1HB ASP 5 1HB ASP 5 -8.826 10.997 -28.306 32 2HB ASP 5 2HB ASP 5 -8.785 11.269 -30.048 33 H GLN 6 H GLN 6 -6.417 12.429 -28.985 34 HA GLN 6 HA GLN 6 -5.792 12.458 -26.159 35 1HB GLN 6 1HB GLN 6 -4.485 11.060 -27.677 36 2HB GLN 6 2HB GLN 6 -3.428 12.264 -26.942 37 1HG GLN 6 1HG GLN 6 -3.379 13.588 -28.921 38 2HG GLN 6 2HG GLN 6 -4.731 12.707 -29.634 39 1HE2 GLN 6 1HE2 GLN 6 -4.141 11.077 -31.079 40 2HE2 GLN 6 2HE2 GLN 6 -2.617 10.333 -31.131 41 H GLN 7 H GLN 7 -5.384 14.789 -28.818 42 HA GLN 7 HA GLN 7 -3.829 16.684 -27.288 43 1HB GLN 7 1HB GLN 7 -4.969 18.231 -29.199 44 2HB GLN 7 2HB GLN 7 -5.203 16.642 -29.923 45 1HG GLN 7 1HG GLN 7 -2.517 17.249 -28.766 46 2HG GLN 7 2HG GLN 7 -2.946 18.038 -30.283 47 1HE2 GLN 7 1HE2 GLN 7 -1.350 15.370 -29.194 48 2HE2 GLN 7 2HE2 GLN 7 -1.672 14.290 -30.463 49 H ALA 8 H ALA 8 -7.309 16.518 -28.131 50 HA ALA 8 HA ALA 8 -8.011 18.893 -26.645 51 1HB ALA 8 1HB ALA 8 -9.431 17.896 -28.437 52 2HB ALA 8 2HB ALA 8 -10.319 18.176 -26.940 53 3HB ALA 8 3HB ALA 8 -9.791 16.547 -27.360 54 H GLU 9 H GLU 9 -7.022 15.846 -25.493 55 HA GLU 9 HA GLU 9 -8.598 16.158 -22.980 56 1HB GLU 9 1HB GLU 9 -7.575 13.821 -22.513 57 2HB GLU 9 2HB GLU 9 -7.137 13.823 -24.222 58 1HG GLU 9 1HG GLU 9 -9.506 14.191 -24.824 59 2HG GLU 9 2HG GLU 9 -9.941 14.202 -23.116 60 H ALA 10 H ALA 10 -5.263 15.531 -24.118 61 HA ALA 10 HA ALA 10 -4.025 15.928 -21.555 62 1HB ALA 10 1HB ALA 10 -2.722 14.837 -23.231 63 2HB ALA 10 2HB ALA 10 -1.957 16.408 -22.994 64 3HB ALA 10 3HB ALA 10 -2.995 16.136 -24.393 65 NH1 ARG 11 NH1 ARG 11 -6.830 23.947 -27.562 66 NH2 ARG 11 NH2 ARG 11 -6.488 23.980 -25.321 67 H ARG 11 H ARG 11 -5.194 18.121 -24.030 68 HA ARG 11 HA ARG 11 -3.748 20.475 -23.156 69 1HB ARG 11 1HB ARG 11 -5.881 21.584 -24.297 70 2HB ARG 11 2HB ARG 11 -6.140 19.944 -24.887 71 1HG ARG 11 1HG ARG 11 -3.899 19.917 -25.875 72 2HG ARG 11 2HG ARG 11 -3.565 21.518 -25.212 73 1HD ARG 11 1HD ARG 11 -6.000 21.159 -26.922 74 2HD ARG 11 2HD ARG 11 -4.426 21.228 -27.711 75 HE ARG 11 HE ARG 11 -4.126 23.480 -26.708 76 1HH1 ARG 11 1HH1 ARG 11 -7.348 24.476 -25.195 77 2HH1 ARG 11 2HH1 ARG 11 -5.928 23.746 -24.526 78 1HH2 ARG 11 1HH2 ARG 11 -6.530 23.687 -28.480 79 2HH2 ARG 11 2HH2 ARG 11 -7.690 24.443 -27.441 80 H ALA 12 H ALA 12 -6.992 19.159 -22.468 81 HA ALA 12 HA ALA 12 -7.742 21.263 -20.635 82 1HB ALA 12 1HB ALA 12 -9.508 19.587 -19.926 83 2HB ALA 12 2HB ALA 12 -8.779 18.448 -21.059 84 3HB ALA 12 3HB ALA 12 -9.486 19.952 -21.652 85 H PHE 13 H PHE 13 -5.673 18.495 -20.324 86 HA PHE 13 HA PHE 13 -6.020 17.978 -17.519 87 1HB PHE 13 1HB PHE 13 -3.323 17.603 -18.725 88 2HB PHE 13 2HB PHE 13 -4.652 16.719 -19.473 89 HD1 PHE 13 HD1 PHE 13 -5.496 14.752 -18.471 90 HD2 PHE 13 HD2 PHE 13 -3.054 17.432 -16.165 91 HE1 PHE 13 HE1 PHE 13 -5.441 13.108 -16.615 92 HE2 PHE 13 HE2 PHE 13 -3.002 15.788 -14.311 93 HZ PHE 13 HZ PHE 13 -4.194 13.626 -14.536 94 H LEU 14 H LEU 14 -3.666 20.048 -19.271 95 HA LEU 14 HA LEU 14 -3.116 21.393 -16.651 96 1HB LEU 14 1HB LEU 14 -1.015 20.542 -17.180 97 2HB LEU 14 2HB LEU 14 -0.938 22.136 -17.931 98 HG LEU 14 HG LEU 14 -2.019 20.663 -19.966 99 1HD1 LEU 14 1HD1 LEU 14 0.037 21.006 -21.035 100 2HD1 LEU 14 2HD1 LEU 14 0.962 20.709 -19.564 101 3HD1 LEU 14 3HD1 LEU 14 0.071 22.219 -19.756 102 1HD2 LEU 14 1HD2 LEU 14 0.131 18.853 -18.898 103 2HD2 LEU 14 2HD2 LEU 14 -1.154 18.494 -20.050 104 3HD2 LEU 14 3HD2 LEU 14 -1.526 18.644 -18.333 105 H SER 15 H SER 15 -3.549 23.528 -16.542 106 HA SER 15 HA SER 15 -4.712 24.868 -18.884 107 1HB SER 15 1HB SER 15 -5.083 26.742 -17.258 108 2HB SER 15 2HB SER 15 -4.258 25.789 -16.029 109 HG SER 15 HG SER 15 -6.032 24.751 -15.730 110 H GLU 16 H GLU 16 -3.926 27.468 -18.713 111 HA GLU 16 HA GLU 16 -1.397 27.529 -20.016 112 1HB GLU 16 1HB GLU 16 -1.529 30.034 -19.555 113 2HB GLU 16 2HB GLU 16 -3.025 29.702 -18.680 114 1HG GLU 16 1HG GLU 16 -3.739 28.440 -20.847 115 2HG GLU 16 2HG GLU 16 -2.435 29.343 -21.617 116 H GLU 17 H GLU 17 -2.211 27.739 -16.590 117 HA GLU 17 HA GLU 17 0.221 28.902 -15.639 118 1HB GLU 17 1HB GLU 17 -1.008 26.784 -13.962 119 2HB GLU 17 2HB GLU 17 -2.088 28.094 -14.441 120 1HG GLU 17 1HG GLU 17 -0.782 29.727 -13.367 121 2HG GLU 17 2HG GLU 17 0.656 28.706 -13.354 122 H MET 18 H MET 18 -0.708 25.446 -15.947 123 HA MET 18 HA MET 18 1.927 24.456 -15.290 124 1HB MET 18 1HB MET 18 0.385 22.705 -17.032 125 2HB MET 18 2HB MET 18 -0.598 23.326 -15.709 126 1HG MET 18 1HG MET 18 2.159 22.276 -15.135 127 2HG MET 18 2HG MET 18 0.829 21.142 -15.362 128 1HE MET 18 1HE MET 18 -0.657 20.826 -12.118 129 2HE MET 18 2HE MET 18 0.201 20.102 -13.474 130 3HE MET 18 3HE MET 18 -1.305 20.971 -13.758 131 H ILE 19 H ILE 19 0.187 25.014 -18.334 132 HA ILE 19 HA ILE 19 2.003 24.064 -20.229 133 HB ILE 19 HB ILE 19 0.244 26.527 -20.261 134 1HG1 ILE 19 1HG1 ILE 19 -1.250 25.162 -21.549 135 2HG1 ILE 19 2HG1 ILE 19 -0.737 24.175 -20.182 136 1HG2 ILE 19 1HG2 ILE 19 0.587 26.310 -22.821 137 2HG2 ILE 19 2HG2 ILE 19 2.054 25.423 -22.408 138 3HG2 ILE 19 3HG2 ILE 19 1.859 27.096 -21.885 139 1HD1 ILE 19 1HD1 ILE 19 0.188 24.014 -23.055 140 2HD1 ILE 19 2HD1 ILE 19 -0.544 22.746 -22.072 141 3HD1 ILE 19 3HD1 ILE 19 1.105 23.277 -21.741 142 H ALA 20 H ALA 20 2.212 27.115 -18.393 143 HA ALA 20 HA ALA 20 4.401 28.258 -19.839 144 1HB ALA 20 1HB ALA 20 3.031 29.523 -18.212 145 2HB ALA 20 2HB ALA 20 4.754 29.644 -17.851 146 3HB ALA 20 3HB ALA 20 3.728 28.567 -16.902 147 H GLU 21 H GLU 21 4.389 26.235 -16.868 148 HA GLU 21 HA GLU 21 7.272 26.106 -16.701 149 1HB GLU 21 1HB GLU 21 5.281 24.076 -15.633 150 2HB GLU 21 2HB GLU 21 5.663 25.587 -14.809 151 1HG GLU 21 1HG GLU 21 7.645 23.395 -15.509 152 2HG GLU 21 2HG GLU 21 7.015 23.738 -13.900 153 H PHE 22 H PHE 22 4.817 24.276 -18.419 154 HA PHE 22 HA PHE 22 6.508 22.063 -19.192 155 1HB PHE 22 1HB PHE 22 4.679 21.925 -21.073 156 2HB PHE 22 2HB PHE 22 3.871 23.162 -20.128 157 HD1 PHE 22 HD1 PHE 22 3.547 19.912 -20.718 158 HD2 PHE 22 HD2 PHE 22 4.440 22.428 -17.352 159 HE1 PHE 22 HE1 PHE 22 2.666 18.178 -19.185 160 HE2 PHE 22 HE2 PHE 22 3.564 20.688 -15.822 161 HZ PHE 22 HZ PHE 22 2.676 18.563 -16.738 162 H LYS 23 H LYS 23 5.743 25.250 -20.639 163 HA LYS 23 HA LYS 23 7.103 24.670 -23.131 164 1HB LYS 23 1HB LYS 23 5.383 26.477 -22.867 165 2HB LYS 23 2HB LYS 23 6.867 27.017 -23.646 166 1HG LYS 23 1HG LYS 23 7.391 27.462 -20.964 167 2HG LYS 23 2HG LYS 23 5.679 27.860 -21.101 168 1HD LYS 23 1HD LYS 23 6.223 29.331 -23.045 169 2HD LYS 23 2HD LYS 23 7.935 28.995 -22.781 170 1HE LYS 23 1HE LYS 23 8.047 30.394 -20.992 171 2HE LYS 23 2HE LYS 23 6.496 29.848 -20.355 172 1HZ LYS 23 1HZ LYS 23 5.373 31.214 -21.995 173 2HZ LYS 23 2HZ LYS 23 6.866 31.731 -22.623 174 3HZ LYS 23 3HZ LYS 23 6.410 32.162 -21.044 175 H ALA 24 H ALA 24 8.339 25.279 -19.990 176 HA ALA 24 HA ALA 24 10.751 26.685 -20.739 177 1HB ALA 24 1HB ALA 24 10.307 24.858 -18.359 178 2HB ALA 24 2HB ALA 24 9.862 26.564 -18.397 179 3HB ALA 24 3HB ALA 24 11.558 26.092 -18.518 180 H ALA 25 H ALA 25 10.125 23.243 -19.993 181 HA ALA 25 HA ALA 25 12.745 22.358 -20.840 182 1HB ALA 25 1HB ALA 25 11.195 21.115 -19.267 183 2HB ALA 25 2HB ALA 25 11.893 20.127 -20.551 184 3HB ALA 25 3HB ALA 25 10.226 20.686 -20.676 185 H PHE 26 H PHE 26 9.653 22.800 -22.481 186 HA PHE 26 HA PHE 26 10.330 21.311 -24.866 187 1HB PHE 26 1HB PHE 26 8.368 23.604 -24.533 188 2HB PHE 26 2HB PHE 26 7.995 21.911 -24.213 189 HD1 PHE 26 HD1 PHE 26 7.706 20.327 -26.008 190 HD2 PHE 26 HD2 PHE 26 8.837 24.385 -26.838 191 HE1 PHE 26 HE1 PHE 26 7.209 19.969 -28.411 192 HE2 PHE 26 HE2 PHE 26 8.341 24.029 -29.244 193 HZ PHE 26 HZ PHE 26 7.527 21.822 -30.029 194 H ASP 27 H ASP 27 10.571 24.734 -23.938 195 HA ASP 27 HA ASP 27 11.420 25.769 -26.446 196 1HB ASP 27 1HB ASP 27 11.715 26.662 -23.591 197 2HB ASP 27 2HB ASP 27 10.725 27.359 -24.867 198 H MET 28 H MET 28 13.399 24.529 -23.704 199 HA MET 28 HA MET 28 15.923 25.147 -24.899 200 1HB MET 28 1HB MET 28 15.916 24.568 -22.575 201 2HB MET 28 2HB MET 28 16.832 23.323 -23.413 202 1HG MET 28 1HG MET 28 14.825 21.870 -23.417 203 2HG MET 28 2HG MET 28 13.944 23.110 -22.526 204 1HE MET 28 1HE MET 28 14.141 23.786 -20.385 205 2HE MET 28 2HE MET 28 15.837 24.241 -20.234 206 3HE MET 28 3HE MET 28 15.125 23.126 -19.071 207 H PHE 29 H PHE 29 13.928 22.193 -25.080 208 HA PHE 29 HA PHE 29 15.748 20.698 -26.710 209 1HB PHE 29 1HB PHE 29 13.258 19.783 -27.466 210 2HB PHE 29 2HB PHE 29 12.938 20.467 -25.871 211 HD1 PHE 29 HD1 PHE 29 14.752 17.883 -27.753 212 HD2 PHE 29 HD2 PHE 29 14.086 19.599 -23.872 213 HE1 PHE 29 HE1 PHE 29 15.822 15.910 -26.697 214 HE2 PHE 29 HE2 PHE 29 15.155 17.625 -22.817 215 HZ PHE 29 HZ PHE 29 16.023 15.781 -24.230 216 H ASP 30 H ASP 30 13.550 23.280 -27.429 217 HA ASP 30 HA ASP 30 13.582 22.835 -30.340 218 1HB ASP 30 1HB ASP 30 12.659 25.307 -28.878 219 2HB ASP 30 2HB ASP 30 11.651 23.865 -28.985 220 H ALA 31 H ALA 31 16.155 22.973 -29.425 221 HA ALA 31 HA ALA 31 17.352 25.566 -29.334 222 1HB ALA 31 1HB ALA 31 18.734 23.066 -30.315 223 2HB ALA 31 2HB ALA 31 18.370 23.333 -28.609 224 3HB ALA 31 3HB ALA 31 19.442 24.441 -29.465 225 H ASP 32 H ASP 32 16.363 23.579 -32.066 226 HA ASP 32 HA ASP 32 18.009 25.079 -33.979 227 1HB ASP 32 1HB ASP 32 16.349 23.797 -35.605 228 2HB ASP 32 2HB ASP 32 16.004 22.862 -34.151 229 H GLY 33 H GLY 33 14.749 25.296 -32.676 230 1HA GLY 33 1HA GLY 33 14.268 27.627 -34.497 231 2HA GLY 33 2HA GLY 33 13.722 27.569 -32.821 232 H GLY 34 H GLY 34 11.655 28.110 -34.164 233 1HA GLY 34 1HA GLY 34 10.377 25.703 -35.333 234 2HA GLY 34 2HA GLY 34 9.735 27.344 -35.394 235 H GLY 35 H GLY 35 7.962 25.438 -34.661 236 1HA GLY 35 1HA GLY 35 6.358 25.823 -32.761 237 2HA GLY 35 2HA GLY 35 7.754 25.749 -31.686 238 H ASP 36 H ASP 36 9.073 23.530 -32.931 239 HA ASP 36 HA ASP 36 7.572 21.340 -31.743 240 1HB ASP 36 1HB ASP 36 6.410 20.786 -33.613 241 2HB ASP 36 2HB ASP 36 7.942 20.130 -34.174 242 H ILE 37 H ILE 37 8.838 19.350 -31.710 243 HA ILE 37 HA ILE 37 11.760 19.925 -31.996 244 HB ILE 37 HB ILE 37 10.608 17.529 -30.565 245 1HG1 ILE 37 1HG1 ILE 37 10.649 18.859 -28.470 246 2HG1 ILE 37 2HG1 ILE 37 9.471 19.499 -29.613 247 1HG2 ILE 37 1HG2 ILE 37 13.176 19.120 -30.452 248 2HG2 ILE 37 2HG2 ILE 37 12.969 17.413 -30.843 249 3HG2 ILE 37 3HG2 ILE 37 12.726 17.973 -29.188 250 1HD1 ILE 37 1HD1 ILE 37 12.295 20.576 -29.425 251 2HD1 ILE 37 2HD1 ILE 37 10.970 21.224 -28.460 252 3HD1 ILE 37 3HD1 ILE 37 10.904 21.314 -30.220 253 H SER 38 H SER 38 13.123 18.160 -32.897 254 HA SER 38 HA SER 38 11.613 16.348 -34.738 255 1HB SER 38 1HB SER 38 14.211 17.659 -35.536 256 2HB SER 38 2HB SER 38 12.674 18.477 -35.795 257 HG SER 38 HG SER 38 13.362 17.178 -37.587 258 H THR 39 H THR 39 13.345 14.722 -35.746 259 HA THR 39 HA THR 39 14.417 13.188 -33.548 260 HB THR 39 HB THR 39 15.394 11.755 -35.365 261 HG1 THR 39 HG1 THR 39 15.728 12.735 -37.176 262 1HG2 THR 39 1HG2 THR 39 13.189 11.150 -36.376 263 2HG2 THR 39 2HG2 THR 39 12.505 12.612 -35.668 264 3HG2 THR 39 3HG2 THR 39 13.121 11.330 -34.625 265 H LYS 40 H LYS 40 15.958 15.162 -36.106 266 HA LYS 40 HA LYS 40 18.651 14.738 -35.109 267 1HB LYS 40 1HB LYS 40 19.359 16.282 -36.743 268 2HB LYS 40 2HB LYS 40 17.847 17.185 -36.682 269 1HG LYS 40 1HG LYS 40 16.748 15.709 -38.067 270 2HG LYS 40 2HG LYS 40 17.711 14.328 -37.541 271 1HD LYS 40 1HD LYS 40 18.515 14.699 -39.713 272 2HD LYS 40 2HD LYS 40 19.684 15.575 -38.726 273 1HE LYS 40 1HE LYS 40 18.788 17.666 -39.298 274 2HE LYS 40 2HE LYS 40 17.229 16.981 -39.758 275 1HZ LYS 40 1HZ LYS 40 18.244 15.978 -41.682 276 2HZ LYS 40 2HZ LYS 40 19.777 16.548 -41.223 277 3HZ LYS 40 3HZ LYS 40 18.562 17.644 -41.683 278 H GLU 41 H GLU 41 16.232 17.331 -34.746 279 HA GLU 41 HA GLU 41 17.701 19.172 -33.187 280 1HB GLU 41 1HB GLU 41 15.204 19.273 -32.035 281 2HB GLU 41 2HB GLU 41 14.849 18.513 -33.585 282 1HG GLU 41 1HG GLU 41 16.111 20.369 -34.712 283 2HG GLU 41 2HG GLU 41 16.273 21.152 -33.139 284 H LEU 42 H LEU 42 15.962 16.234 -32.188 285 HA LEU 42 HA LEU 42 16.311 16.487 -29.367 286 1HB LEU 42 1HB LEU 42 16.469 13.737 -30.294 287 2HB LEU 42 2HB LEU 42 15.212 14.617 -31.150 288 HG LEU 42 HG LEU 42 15.507 14.573 -28.134 289 1HD1 LEU 42 1HD1 LEU 42 14.349 16.553 -29.103 290 2HD1 LEU 42 2HD1 LEU 42 13.254 15.540 -28.161 291 3HD1 LEU 42 3HD1 LEU 42 13.226 15.470 -29.923 292 1HD2 LEU 42 1HD2 LEU 42 13.658 12.992 -28.122 293 2HD2 LEU 42 2HD2 LEU 42 14.947 12.339 -29.132 294 3HD2 LEU 42 3HD2 LEU 42 13.529 13.075 -29.879 295 H GLY 43 H GLY 43 18.253 14.667 -31.776 296 1HA GLY 43 1HA GLY 43 20.516 14.052 -31.758 297 2HA GLY 43 2HA GLY 43 20.271 13.725 -30.044 298 H THR 44 H THR 44 19.864 16.914 -31.519 299 HA THR 44 HA THR 44 22.501 17.906 -30.857 300 HB THR 44 HB THR 44 20.039 19.647 -31.072 301 HG1 THR 44 HG1 THR 44 21.514 18.453 -33.185 302 1HG2 THR 44 1HG2 THR 44 21.603 21.237 -32.023 303 2HG2 THR 44 2HG2 THR 44 22.883 20.023 -32.047 304 3HG2 THR 44 3HG2 THR 44 22.272 20.633 -30.509 305 H VAL 45 H VAL 45 19.340 18.035 -29.210 306 HA VAL 45 HA VAL 45 20.291 19.582 -26.960 307 HB VAL 45 HB VAL 45 17.892 17.724 -27.040 308 1HG1 VAL 45 1HG1 VAL 45 18.363 20.264 -25.450 309 2HG1 VAL 45 2HG1 VAL 45 18.658 18.647 -24.809 310 3HG1 VAL 45 3HG1 VAL 45 17.026 19.126 -25.275 311 1HG2 VAL 45 1HG2 VAL 45 18.245 19.681 -28.852 312 2HG2 VAL 45 2HG2 VAL 45 17.646 20.664 -27.516 313 3HG2 VAL 45 3HG2 VAL 45 16.666 19.339 -28.145 314 H MET 46 H MET 46 20.195 16.107 -27.679 315 HA MET 46 HA MET 46 20.642 15.154 -25.007 316 1HB MET 46 1HB MET 46 21.304 13.073 -26.001 317 2HB MET 46 2HB MET 46 21.734 13.859 -27.519 318 1HG MET 46 1HG MET 46 19.606 13.812 -28.263 319 2HG MET 46 2HG MET 46 18.961 14.372 -26.721 320 1HE MET 46 1HE MET 46 17.525 13.207 -25.459 321 2HE MET 46 2HE MET 46 16.988 11.549 -25.713 322 3HE MET 46 3HE MET 46 16.807 12.733 -27.005 323 NH1 ARG 47 NH1 ARG 47 25.330 17.430 -32.605 324 NH2 ARG 47 NH2 ARG 47 26.826 18.057 -31.020 325 H ARG 47 H ARG 47 22.885 16.151 -27.589 326 HA ARG 47 HA ARG 47 25.306 15.495 -26.202 327 1HB ARG 47 1HB ARG 47 26.178 17.453 -27.760 328 2HB ARG 47 2HB ARG 47 24.580 17.301 -28.484 329 1HG ARG 47 1HG ARG 47 25.558 14.663 -28.129 330 2HG ARG 47 2HG ARG 47 26.885 15.598 -28.816 331 1HD ARG 47 1HD ARG 47 24.291 16.184 -30.062 332 2HD ARG 47 2HD ARG 47 24.785 14.503 -30.253 333 HE ARG 47 HE ARG 47 26.753 15.265 -31.456 334 1HH1 ARG 47 1HH1 ARG 47 25.315 18.363 -32.965 335 2HH1 ARG 47 2HH1 ARG 47 24.766 16.722 -33.032 336 1HH2 ARG 47 1HH2 ARG 47 27.403 17.830 -30.236 337 2HH2 ARG 47 2HH2 ARG 47 26.813 18.992 -31.377 338 H MET 48 H MET 48 23.090 18.199 -25.874 339 HA MET 48 HA MET 48 24.859 20.073 -24.615 340 1HB MET 48 1HB MET 48 22.783 21.034 -23.616 341 2HB MET 48 2HB MET 48 21.881 19.630 -24.185 342 1HG MET 48 1HG MET 48 22.279 20.202 -26.482 343 2HG MET 48 2HG MET 48 23.471 21.423 -26.039 344 1HE MET 48 1HE MET 48 22.739 23.275 -27.157 345 2HE MET 48 2HE MET 48 22.875 23.931 -25.528 346 3HE MET 48 3HE MET 48 21.512 24.392 -26.545 347 H LEU 49 H LEU 49 22.979 17.325 -23.425 348 HA LEU 49 HA LEU 49 23.555 17.675 -20.607 349 1HB LEU 49 1HB LEU 49 23.092 15.140 -20.583 350 2HB LEU 49 2HB LEU 49 22.783 15.286 -22.305 351 HG LEU 49 HG LEU 49 21.173 16.318 -20.002 352 1HD1 LEU 49 1HD1 LEU 49 19.954 17.843 -21.508 353 2HD1 LEU 49 2HD1 LEU 49 21.099 17.494 -22.802 354 3HD1 LEU 49 3HD1 LEU 49 21.636 18.346 -21.355 355 1HD2 LEU 49 1HD2 LEU 49 20.593 14.221 -21.120 356 2HD2 LEU 49 2HD2 LEU 49 20.573 15.039 -22.682 357 3HD2 LEU 49 3HD2 LEU 49 19.364 15.439 -21.461 358 H GLY 50 H GLY 50 24.980 15.835 -23.277 359 1HA GLY 50 1HA GLY 50 27.316 15.123 -21.562 360 2HA GLY 50 2HA GLY 50 27.588 15.931 -23.105 361 H GLN 51 H GLN 51 24.866 13.858 -23.287 362 HA GLN 51 HA GLN 51 26.442 11.454 -23.982 363 1HB GLN 51 1HB GLN 51 23.492 11.647 -24.460 364 2HB GLN 51 2HB GLN 51 24.066 11.618 -22.793 365 1HG GLN 51 1HG GLN 51 24.963 9.472 -23.004 366 2HG GLN 51 2HG GLN 51 25.134 9.607 -24.754 367 1HE2 GLN 51 1HE2 GLN 51 23.055 9.517 -26.047 368 2HE2 GLN 51 2HE2 GLN 51 21.727 8.674 -25.406 369 H ASN 52 H ASN 52 26.522 10.573 -26.100 370 HA ASN 52 HA ASN 52 25.603 12.415 -28.276 371 1HB ASN 52 1HB ASN 52 28.061 10.643 -28.375 372 2HB ASN 52 2HB ASN 52 28.112 12.339 -27.903 373 1HD2 ASN 52 1HD2 ASN 52 28.976 10.655 -30.450 374 2HD2 ASN 52 2HD2 ASN 52 28.436 11.630 -31.729 375 HA PRO 53 HA PRO 53 23.638 8.313 -28.964 376 1HB PRO 53 1HB PRO 53 21.729 8.941 -27.832 377 2HB PRO 53 2HB PRO 53 21.140 9.348 -29.453 378 1HG PRO 53 1HG PRO 53 21.351 11.170 -27.369 379 2HG PRO 53 2HG PRO 53 21.377 11.623 -29.081 380 1HD PRO 53 1HD PRO 53 23.572 11.654 -27.121 381 2HD PRO 53 2HD PRO 53 23.515 12.387 -28.737 382 H THR 54 H THR 54 22.064 7.816 -30.972 383 HA THR 54 HA THR 54 23.239 9.222 -33.331 384 HB THR 54 HB THR 54 23.767 7.067 -33.869 385 HG1 THR 54 HG1 THR 54 22.394 7.258 -35.483 386 1HG2 THR 54 1HG2 THR 54 22.242 5.105 -33.067 387 2HG2 THR 54 2HG2 THR 54 21.570 6.304 -31.965 388 3HG2 THR 54 3HG2 THR 54 23.286 5.909 -31.895 389 H LYS 55 H LYS 55 21.809 9.664 -35.153 390 HA LYS 55 HA LYS 55 19.308 10.853 -34.348 391 1HB LYS 55 1HB LYS 55 19.002 11.137 -36.862 392 2HB LYS 55 2HB LYS 55 20.544 10.303 -37.051 393 1HG LYS 55 1HG LYS 55 20.709 12.423 -35.052 394 2HG LYS 55 2HG LYS 55 20.179 13.047 -36.614 395 1HD LYS 55 1HD LYS 55 22.538 11.175 -36.388 396 2HD LYS 55 2HD LYS 55 22.727 12.916 -36.181 397 1HE LYS 55 1HE LYS 55 22.184 13.372 -38.398 398 2HE LYS 55 2HE LYS 55 21.234 11.897 -38.577 399 1HZ LYS 55 1HZ LYS 55 24.187 11.967 -38.274 400 2HZ LYS 55 2HZ LYS 55 23.374 11.822 -39.759 401 3HZ LYS 55 3HZ LYS 55 23.232 10.600 -38.588 402 H GLU 56 H GLU 56 20.084 7.890 -36.212 403 HA GLU 56 HA GLU 56 17.379 7.180 -36.810 404 1HB GLU 56 1HB GLU 56 19.294 6.127 -37.944 405 2HB GLU 56 2HB GLU 56 18.245 4.911 -37.220 406 1HG GLU 56 1HG GLU 56 19.904 5.219 -35.155 407 2HG GLU 56 2HG GLU 56 21.001 5.765 -36.421 408 H GLU 57 H GLU 57 19.235 6.873 -33.862 409 HA GLU 57 HA GLU 57 17.549 4.858 -32.604 410 1HB GLU 57 1HB GLU 57 18.765 6.663 -30.698 411 2HB GLU 57 2HB GLU 57 19.932 6.254 -31.951 412 1HG GLU 57 1HG GLU 57 19.684 3.906 -31.538 413 2HG GLU 57 2HG GLU 57 18.269 4.170 -30.520 414 H LEU 58 H LEU 58 17.801 8.383 -32.469 415 HA LEU 58 HA LEU 58 15.541 8.799 -30.736 416 1HB LEU 58 1HB LEU 58 15.759 11.178 -31.685 417 2HB LEU 58 2HB LEU 58 17.109 10.554 -32.635 418 HG LEU 58 HG LEU 58 18.247 9.840 -30.578 419 1HD1 LEU 58 1HD1 LEU 58 17.757 12.522 -31.364 420 2HD1 LEU 58 2HD1 LEU 58 19.143 11.897 -30.470 421 3HD1 LEU 58 3HD1 LEU 58 17.732 12.497 -29.601 422 1HD2 LEU 58 1HD2 LEU 58 15.596 10.469 -29.447 423 2HD2 LEU 58 2HD2 LEU 58 16.955 11.039 -28.478 424 3HD2 LEU 58 3HD2 LEU 58 16.819 9.329 -28.886 425 H ASP 59 H ASP 59 15.918 8.415 -34.189 426 HA ASP 59 HA ASP 59 13.454 9.518 -35.088 427 1HB ASP 59 1HB ASP 59 14.853 7.090 -36.247 428 2HB ASP 59 2HB ASP 59 15.368 8.749 -36.551 429 H ALA 60 H ALA 60 14.251 6.288 -33.821 430 HA ALA 60 HA ALA 60 11.600 5.197 -34.268 431 1HB ALA 60 1HB ALA 60 13.764 4.308 -32.333 432 2HB ALA 60 2HB ALA 60 13.583 3.739 -33.992 433 3HB ALA 60 3HB ALA 60 12.347 3.363 -32.791 434 H ILE 61 H ILE 61 13.219 6.804 -31.563 435 HA ILE 61 HA ILE 61 11.273 6.403 -29.542 436 HB ILE 61 HB ILE 61 13.359 8.490 -30.106 437 1HG1 ILE 61 1HG1 ILE 61 13.629 6.137 -28.983 438 2HG1 ILE 61 2HG1 ILE 61 12.933 6.926 -27.567 439 1HG2 ILE 61 1HG2 ILE 61 11.502 9.809 -29.188 440 2HG2 ILE 61 2HG2 ILE 61 12.762 9.632 -27.968 441 3HG2 ILE 61 3HG2 ILE 61 11.299 8.650 -27.874 442 1HD1 ILE 61 1HD1 ILE 61 15.582 7.322 -28.854 443 2HD1 ILE 61 2HD1 ILE 61 15.125 7.455 -27.155 444 3HD1 ILE 61 3HD1 ILE 61 14.780 8.780 -28.267 445 H ILE 62 H ILE 62 11.347 8.717 -32.232 446 HA ILE 62 HA ILE 62 8.913 10.066 -31.242 447 HB ILE 62 HB ILE 62 10.413 10.501 -33.848 448 1HG1 ILE 62 1HG1 ILE 62 11.874 10.906 -31.905 449 2HG1 ILE 62 2HG1 ILE 62 10.636 11.917 -31.167 450 1HG2 ILE 62 1HG2 ILE 62 8.279 12.049 -32.351 451 2HG2 ILE 62 2HG2 ILE 62 8.196 11.414 -33.993 452 3HG2 ILE 62 3HG2 ILE 62 9.260 12.771 -33.626 453 1HD1 ILE 62 1HD1 ILE 62 12.665 12.859 -32.759 454 2HD1 ILE 62 2HD1 ILE 62 11.139 13.699 -32.492 455 3HD1 ILE 62 3HD1 ILE 62 11.352 12.693 -33.923 456 H GLU 63 H GLU 63 9.894 7.730 -33.707 457 HA GLU 63 HA GLU 63 7.629 7.652 -35.367 458 1HB GLU 63 1HB GLU 63 8.390 4.957 -34.833 459 2HB GLU 63 2HB GLU 63 9.854 5.934 -34.774 460 1HG GLU 63 1HG GLU 63 9.239 6.927 -36.974 461 2HG GLU 63 2HG GLU 63 7.833 5.862 -37.035 462 H GLU 64 H GLU 64 8.125 6.051 -32.214 463 HA GLU 64 HA GLU 64 5.540 4.755 -32.173 464 1HB GLU 64 1HB GLU 64 6.604 5.371 -29.529 465 2HB GLU 64 2HB GLU 64 7.851 4.712 -30.587 466 1HG GLU 64 1HG GLU 64 6.934 2.743 -29.785 467 2HG GLU 64 2HG GLU 64 5.914 2.987 -31.203 468 H VAL 65 H VAL 65 6.743 7.880 -30.993 469 HA VAL 65 HA VAL 65 4.342 8.615 -29.562 470 HB VAL 65 HB VAL 65 6.575 10.297 -30.743 471 1HG1 VAL 65 1HG1 VAL 65 4.777 11.812 -30.480 472 2HG1 VAL 65 2HG1 VAL 65 5.680 11.965 -28.973 473 3HG1 VAL 65 3HG1 VAL 65 4.198 11.009 -29.021 474 1HG2 VAL 65 1HG2 VAL 65 7.136 8.639 -28.905 475 2HG2 VAL 65 2HG2 VAL 65 6.029 9.530 -27.860 476 3HG2 VAL 65 3HG2 VAL 65 7.468 10.323 -28.501 477 H ASP 66 H ASP 66 5.292 8.772 -32.933 478 HA ASP 66 HA ASP 66 3.371 10.747 -33.779 479 1HB ASP 66 1HB ASP 66 3.868 9.933 -36.061 480 2HB ASP 66 2HB ASP 66 4.738 8.559 -35.382 481 H GLU 67 H GLU 67 1.602 9.698 -32.423 482 HA GLU 67 HA GLU 67 0.369 7.227 -33.161 483 1HB GLU 67 1HB GLU 67 -1.724 8.632 -32.210 484 2HB GLU 67 2HB GLU 67 -0.416 9.655 -31.624 485 1HG GLU 67 1HG GLU 67 0.653 7.488 -30.737 486 2HG GLU 67 2HG GLU 67 -0.912 6.731 -31.031 487 H ASP 68 H ASP 68 -0.311 10.590 -34.190 488 HA ASP 68 HA ASP 68 -2.364 9.762 -36.093 489 1HB ASP 68 1HB ASP 68 -2.164 12.158 -36.880 490 2HB ASP 68 2HB ASP 68 -0.892 12.381 -35.679 491 H GLY 69 H GLY 69 1.107 10.476 -36.222 492 1HA GLY 69 1HA GLY 69 1.106 9.551 -39.067 493 2HA GLY 69 2HA GLY 69 2.442 9.301 -37.945 494 H SER 70 H SER 70 2.965 11.685 -36.859 495 HA SER 70 HA SER 70 3.040 13.731 -39.011 496 1HB SER 70 1HB SER 70 3.958 13.958 -36.127 497 2HB SER 70 2HB SER 70 2.331 14.349 -36.674 498 HG SER 70 HG SER 70 4.536 15.851 -36.805 499 H GLY 71 H GLY 71 5.371 12.410 -36.613 500 1HA GLY 71 1HA GLY 71 7.500 12.693 -38.702 501 2HA GLY 71 2HA GLY 71 7.459 11.354 -37.554 502 H THR 72 H THR 72 6.841 14.808 -36.939 503 HA THR 72 HA THR 72 9.328 14.920 -35.287 504 HB THR 72 HB THR 72 8.861 17.439 -35.385 505 HG1 THR 72 HG1 THR 72 6.845 17.658 -36.063 506 1HG2 THR 72 1HG2 THR 72 9.879 15.631 -37.430 507 2HG2 THR 72 2HG2 THR 72 10.531 17.171 -36.872 508 3HG2 THR 72 3HG2 THR 72 9.290 17.142 -38.124 509 H ILE 73 H ILE 73 9.130 16.160 -33.202 510 HA ILE 73 HA ILE 73 6.667 15.346 -31.791 511 HB ILE 73 HB ILE 73 8.923 16.911 -30.556 512 1HG1 ILE 73 1HG1 ILE 73 9.916 14.985 -31.791 513 2HG1 ILE 73 2HG1 ILE 73 8.821 13.898 -30.940 514 1HG2 ILE 73 1HG2 ILE 73 6.997 14.823 -29.499 515 2HG2 ILE 73 2HG2 ILE 73 6.886 16.562 -29.228 516 3HG2 ILE 73 3HG2 ILE 73 8.230 15.648 -28.545 517 1HD1 ILE 73 1HD1 ILE 73 11.109 14.017 -29.912 518 2HD1 ILE 73 2HD1 ILE 73 9.822 14.487 -28.802 519 3HD1 ILE 73 3HD1 ILE 73 10.820 15.722 -29.568 520 H ASP 74 H ASP 74 5.127 16.746 -31.089 521 HA ASP 74 HA ASP 74 5.353 19.591 -31.953 522 1HB ASP 74 1HB ASP 74 2.865 19.591 -31.779 523 2HB ASP 74 2HB ASP 74 2.921 17.900 -31.295 524 H PHE 75 H PHE 75 3.906 21.069 -30.453 525 HA PHE 75 HA PHE 75 5.047 20.955 -27.789 526 1HB PHE 75 1HB PHE 75 2.695 22.671 -28.612 527 2HB PHE 75 2HB PHE 75 4.350 23.077 -29.066 528 HD1 PHE 75 HD1 PHE 75 1.987 22.691 -26.252 529 HD2 PHE 75 HD2 PHE 75 5.978 23.789 -27.397 530 HE1 PHE 75 HE1 PHE 75 2.359 23.679 -24.009 531 HE2 PHE 75 HE2 PHE 75 6.351 24.776 -25.154 532 HZ PHE 75 HZ PHE 75 4.541 24.721 -23.459 533 H GLU 76 H GLU 76 1.746 20.471 -29.093 534 HA GLU 76 HA GLU 76 0.604 19.699 -26.557 535 1HB GLU 76 1HB GLU 76 -1.158 18.597 -28.104 536 2HB GLU 76 2HB GLU 76 -0.239 19.304 -29.432 537 1HG GLU 76 1HG GLU 76 -0.448 21.462 -27.794 538 2HG GLU 76 2HG GLU 76 -1.943 20.621 -27.384 539 H GLU 77 H GLU 77 2.585 18.035 -28.890 540 HA GLU 77 HA GLU 77 1.861 15.326 -28.078 541 1HB GLU 77 1HB GLU 77 4.604 15.805 -29.096 542 2HB GLU 77 2HB GLU 77 3.318 16.357 -30.168 543 1HG GLU 77 1HG GLU 77 3.026 13.648 -28.940 544 2HG GLU 77 2HG GLU 77 4.216 13.836 -30.228 545 H PHE 78 H PHE 78 4.171 17.796 -27.194 546 HA PHE 78 HA PHE 78 5.695 16.271 -25.293 547 1HB PHE 78 1HB PHE 78 5.261 19.205 -25.861 548 2HB PHE 78 2HB PHE 78 6.689 18.237 -26.183 549 HD1 PHE 78 HD1 PHE 78 7.968 17.280 -24.119 550 HD2 PHE 78 HD2 PHE 78 5.046 20.418 -23.881 551 HE1 PHE 78 HE1 PHE 78 8.870 17.961 -21.908 552 HE2 PHE 78 HE2 PHE 78 5.950 21.094 -21.677 553 HZ PHE 78 HZ PHE 78 7.861 19.866 -20.690 554 H LEU 79 H LEU 79 2.759 18.263 -25.133 555 HA LEU 79 HA LEU 79 2.556 18.243 -22.235 556 1HB LEU 79 1HB LEU 79 0.293 19.071 -22.565 557 2HB LEU 79 2HB LEU 79 0.327 18.576 -24.253 558 HG LEU 79 HG LEU 79 2.217 20.168 -24.638 559 1HD1 LEU 79 1HD1 LEU 79 0.831 22.225 -24.475 560 2HD1 LEU 79 2HD1 LEU 79 -0.310 21.352 -23.451 561 3HD1 LEU 79 3HD1 LEU 79 -0.079 20.863 -25.129 562 1HD2 LEU 79 1HD2 LEU 79 1.801 20.566 -21.704 563 2HD2 LEU 79 2HD2 LEU 79 2.234 21.976 -22.669 564 3HD2 LEU 79 3HD2 LEU 79 3.299 20.572 -22.634 565 H VAL 80 H VAL 80 0.858 16.388 -24.804 566 HA VAL 80 HA VAL 80 -0.601 14.694 -23.036 567 HB VAL 80 HB VAL 80 -0.924 14.996 -25.565 568 1HG1 VAL 80 1HG1 VAL 80 1.357 14.504 -26.289 569 2HG1 VAL 80 2HG1 VAL 80 0.248 13.319 -26.976 570 3HG1 VAL 80 3HG1 VAL 80 1.255 12.886 -25.596 571 1HG2 VAL 80 1HG2 VAL 80 -2.048 13.276 -24.046 572 2HG2 VAL 80 2HG2 VAL 80 -0.860 12.116 -24.642 573 3HG2 VAL 80 3HG2 VAL 80 -1.996 12.871 -25.761 574 H MET 81 H MET 81 2.733 14.566 -24.138 575 HA MET 81 HA MET 81 3.257 11.839 -23.337 576 1HB MET 81 1HB MET 81 5.697 12.963 -23.137 577 2HB MET 81 2HB MET 81 4.902 14.217 -24.087 578 1HG MET 81 1HG MET 81 4.334 12.657 -25.822 579 2HG MET 81 2HG MET 81 4.796 11.280 -24.822 580 1HE MET 81 1HE MET 81 7.409 14.162 -27.184 581 2HE MET 81 2HE MET 81 5.964 14.617 -26.286 582 3HE MET 81 3HE MET 81 5.835 13.498 -27.641 583 H MET 82 H MET 82 3.517 15.007 -21.714 584 HA MET 82 HA MET 82 4.591 13.874 -19.248 585 1HB MET 82 1HB MET 82 3.091 16.488 -19.454 586 2HB MET 82 2HB MET 82 4.736 16.332 -20.068 587 1HG MET 82 1HG MET 82 3.894 15.654 -17.232 588 2HG MET 82 2HG MET 82 4.643 17.176 -17.710 589 1HE MET 82 1HE MET 82 5.837 14.434 -15.633 590 2HE MET 82 2HE MET 82 6.428 13.217 -16.762 591 3HE MET 82 3HE MET 82 4.744 13.728 -16.832 592 H VAL 83 H VAL 83 1.412 14.468 -20.601 593 HA VAL 83 HA VAL 83 -0.106 14.156 -18.170 594 HB VAL 83 HB VAL 83 -0.649 14.261 -21.107 595 1HG1 VAL 83 1HG1 VAL 83 -2.013 12.362 -20.674 596 2HG1 VAL 83 2HG1 VAL 83 -3.107 13.740 -20.560 597 3HG1 VAL 83 3HG1 VAL 83 -2.502 12.972 -19.094 598 1HG2 VAL 83 1HG2 VAL 83 -1.985 16.099 -20.498 599 2HG2 VAL 83 2HG2 VAL 83 -0.663 16.166 -19.333 600 3HG2 VAL 83 3HG2 VAL 83 -2.225 15.501 -18.855 601 NH1 ARG 84 NH1 ARG 84 3.549 5.565 -22.771 602 NH2 ARG 84 NH2 ARG 84 5.409 6.790 -22.343 603 H ARG 84 H ARG 84 1.214 11.889 -20.556 604 HA ARG 84 HA ARG 84 -0.213 9.629 -19.261 605 1HB ARG 84 1HB ARG 84 -0.098 9.760 -21.753 606 2HB ARG 84 2HB ARG 84 0.604 8.279 -21.109 607 1HG ARG 84 1HG ARG 84 2.784 9.947 -21.133 608 2HG ARG 84 2HG ARG 84 1.898 10.509 -22.550 609 1HD ARG 84 1HD ARG 84 3.119 8.788 -23.504 610 2HD ARG 84 2HD ARG 84 1.680 7.896 -23.013 611 HE ARG 84 HE ARG 84 3.362 7.730 -20.806 612 1HH1 ARG 84 1HH1 ARG 84 5.978 6.070 -22.743 613 2HH1 ARG 84 2HH1 ARG 84 5.836 7.618 -21.979 614 1HH2 ARG 84 1HH2 ARG 84 2.555 5.457 -22.735 615 2HH2 ARG 84 2HH2 ARG 84 4.115 4.842 -23.172 616 H GLN 85 H GLN 85 2.399 11.310 -18.419 617 HA GLN 85 HA GLN 85 4.039 8.923 -17.689 618 1HB GLN 85 1HB GLN 85 5.740 10.915 -17.192 619 2HB GLN 85 2HB GLN 85 4.724 11.760 -18.359 620 1HG GLN 85 1HG GLN 85 5.084 9.962 -19.995 621 2HG GLN 85 2HG GLN 85 6.060 9.074 -18.823 622 1HE2 GLN 85 1HE2 GLN 85 6.026 11.844 -21.015 623 2HE2 GLN 85 2HE2 GLN 85 7.671 12.220 -20.853 624 H MET 86 H MET 86 2.439 11.839 -16.481 625 HA MET 86 HA MET 86 3.434 11.673 -13.782 626 1HB MET 86 1HB MET 86 2.422 13.730 -14.708 627 2HB MET 86 2HB MET 86 1.612 13.226 -13.227 628 1HG MET 86 1HG MET 86 -0.024 11.969 -14.819 629 2HG MET 86 2HG MET 86 0.638 13.015 -16.073 630 1HE MET 86 1HE MET 86 -1.999 14.041 -12.512 631 2HE MET 86 2HE MET 86 -0.760 12.790 -12.565 632 3HE MET 86 3HE MET 86 -2.176 12.661 -13.605 633 H LYS 87 H LYS 87 1.064 9.803 -15.484 634 HA LYS 87 HA LYS 87 -0.312 8.956 -13.002 635 1HB LYS 87 1HB LYS 87 -1.684 9.241 -14.999 636 2HB LYS 87 2HB LYS 87 -1.664 7.536 -14.552 637 1HG LYS 87 1HG LYS 87 0.491 7.636 -16.219 638 2HG LYS 87 2HG LYS 87 -0.525 8.885 -16.937 639 1HD LYS 87 1HD LYS 87 -2.435 7.184 -16.834 640 2HD LYS 87 2HD LYS 87 -1.204 5.974 -16.466 641 1HE LYS 87 1HE LYS 87 -0.061 6.424 -18.560 642 2HE LYS 87 2HE LYS 87 -1.129 7.785 -18.898 643 1HZ LYS 87 1HZ LYS 87 -2.003 4.958 -18.635 644 2HZ LYS 87 2HZ LYS 87 -1.774 5.776 -20.106 645 3HZ LYS 87 3HZ LYS 87 -2.990 6.278 -19.033 646 H GLU 88 H GLU 88 2.597 8.318 -13.389 647 HA GLU 88 HA GLU 88 2.601 5.395 -13.803 648 1HB GLU 88 1HB GLU 88 4.999 6.974 -12.925 649 2HB GLU 88 2HB GLU 88 4.416 7.121 -14.582 650 1HG GLU 88 1HG GLU 88 4.509 4.607 -14.753 651 2HG GLU 88 2HG GLU 88 5.282 4.582 -13.168 652 H ASP 89 H ASP 89 3.404 7.696 -11.190 653 HA ASP 89 HA ASP 89 4.041 5.692 -9.238 654 1HB ASP 89 1HB ASP 89 2.944 8.430 -8.594 655 2HB ASP 89 2HB ASP 89 4.588 8.201 -9.187 656 H ALA 90 H ALA 90 0.977 7.326 -10.046 657 HA ALA 90 HA ALA 90 -0.493 6.194 -7.820 658 1HB ALA 90 1HB ALA 90 -1.207 8.251 -9.000 659 2HB ALA 90 2HB ALA 90 -2.481 7.032 -8.982 660 3HB ALA 90 3HB ALA 90 -1.531 7.296 -10.445 661 H LYS 91 H LYS 91 0.805 4.617 -10.460 662 HA LYS 91 HA LYS 91 -1.383 2.901 -11.234 663 1HB LYS 91 1HB LYS 91 1.472 2.004 -11.422 664 2HB LYS 91 2HB LYS 91 0.954 3.390 -12.384 665 1HG LYS 91 1HG LYS 91 -0.784 2.074 -13.447 666 2HG LYS 91 2HG LYS 91 -0.465 0.708 -12.376 667 1HD LYS 91 1HD LYS 91 1.725 0.380 -13.343 668 2HD LYS 91 2HD LYS 91 1.597 1.877 -14.268 669 1HE LYS 91 1HE LYS 91 -0.276 0.935 -15.554 670 2HE LYS 91 2HE LYS 91 -0.195 -0.550 -14.607 671 1HZ LYS 91 1HZ LYS 91 2.087 -0.859 -15.399 672 2HZ LYS 91 2HZ LYS 91 1.942 0.533 -16.365 673 3HZ LYS 91 3HZ LYS 91 0.973 -0.828 -16.678 674 H GLY 92 H GLY 92 0.794 2.917 -8.508 675 1HA GLY 92 1HA GLY 92 1.141 0.341 -7.673 676 2HA GLY 92 2HA GLY 92 -0.584 0.572 -7.385 677 H LYS 93 H LYS 93 0.130 3.546 -6.891 678 HA LYS 93 HA LYS 93 1.815 3.833 -4.670 679 1HB LYS 93 1HB LYS 93 -0.676 5.466 -5.066 680 2HB LYS 93 2HB LYS 93 0.651 5.584 -6.214 681 1HG LYS 93 1HG LYS 93 2.185 6.128 -4.478 682 2HG LYS 93 2HG LYS 93 0.943 5.963 -3.238 683 1HD LYS 93 1HD LYS 93 -0.282 7.725 -4.891 684 2HD LYS 93 2HD LYS 93 1.399 8.157 -5.202 685 1HE LYS 93 1HE LYS 93 1.488 8.010 -2.513 686 2HE LYS 93 2HE LYS 93 -0.210 8.443 -2.711 687 1HZ LYS 93 1HZ LYS 93 2.064 9.909 -3.938 688 2HZ LYS 93 2HZ LYS 93 1.254 10.386 -2.523 689 3HZ LYS 93 3HZ LYS 93 0.426 10.347 -4.006 690 H SER 94 H SER 94 -1.761 3.407 -4.713 691 HA SER 94 HA SER 94 -1.976 3.324 -1.833 692 1HB SER 94 1HB SER 94 -4.270 2.319 -2.363 693 2HB SER 94 2HB SER 94 -3.843 2.499 -4.061 694 HG SER 94 HG SER 94 -4.577 4.444 -3.787 695 H GLU 95 H GLU 95 -2.013 0.736 -4.318 696 HA GLU 95 HA GLU 95 -2.189 -1.396 -2.366 697 1HB GLU 95 1HB GLU 95 -2.931 -1.653 -4.720 698 2HB GLU 95 2HB GLU 95 -1.781 -2.899 -4.244 699 1HG GLU 95 1HG GLU 95 -0.316 -0.650 -5.264 700 2HG GLU 95 2HG GLU 95 -1.582 -1.066 -6.420 701 H GLU 96 H GLU 96 0.377 0.659 -2.907 702 HA GLU 96 HA GLU 96 2.634 -1.062 -3.081 703 1HB GLU 96 1HB GLU 96 3.002 1.328 -1.399 704 2HB GLU 96 2HB GLU 96 2.257 1.657 -2.963 705 1HG GLU 96 1HG GLU 96 4.690 -0.110 -2.789 706 2HG GLU 96 2HG GLU 96 4.867 1.644 -2.781 707 H GLU 97 H GLU 97 0.554 -0.323 -0.335 708 HA GLU 97 HA GLU 97 2.341 -0.996 1.780 709 1HB GLU 97 1HB GLU 97 -0.083 -1.838 2.721 710 2HB GLU 97 2HB GLU 97 -0.586 -0.757 1.426 711 1HG GLU 97 1HG GLU 97 1.393 0.721 2.597 712 2HG GLU 97 2HG GLU 97 0.748 -0.138 3.995 713 H LEU 98 H LEU 98 -0.166 -3.095 0.270 714 HA LEU 98 HA LEU 98 0.903 -5.494 1.487 715 1HB LEU 98 1HB LEU 98 -0.558 -6.532 -0.488 716 2HB LEU 98 2HB LEU 98 -1.187 -4.891 -0.566 717 HG LEU 98 HG LEU 98 -0.966 -6.224 2.110 718 1HD1 LEU 98 1HD1 LEU 98 -1.650 -3.943 2.174 719 2HD1 LEU 98 2HD1 LEU 98 -3.138 -4.874 2.363 720 3HD1 LEU 98 3HD1 LEU 98 -2.740 -4.152 0.803 721 1HD2 LEU 98 1HD2 LEU 98 -3.040 -6.787 -0.021 722 2HD2 LEU 98 2HD2 LEU 98 -3.373 -7.017 1.696 723 3HD2 LEU 98 3HD2 LEU 98 -2.098 -7.950 0.912 724 H ALA 99 H ALA 99 1.545 -3.770 -1.514 725 HA ALA 99 HA ALA 99 2.831 -5.869 -2.972 726 1HB ALA 99 1HB ALA 99 2.169 -3.603 -3.874 727 2HB ALA 99 2HB ALA 99 3.794 -4.117 -4.322 728 3HB ALA 99 3HB ALA 99 3.565 -2.929 -3.038 729 H ASN 100 H ASN 100 4.030 -3.639 -0.483 730 HA ASN 100 HA ASN 100 6.815 -4.257 -0.736 731 1HB ASN 100 1HB ASN 100 5.706 -3.666 1.971 732 2HB ASN 100 2HB ASN 100 5.453 -2.447 0.722 733 1HD2 ASN 100 1HD2 ASN 100 7.169 -0.998 0.460 734 2HD2 ASN 100 2HD2 ASN 100 8.770 -1.294 0.936 735 H CYS 101 H CYS 101 4.290 -5.593 1.431 736 HA CYS 101 HA CYS 101 6.026 -7.605 2.581 737 1HB CYS 101 1HB CYS 101 3.834 -8.645 3.313 738 2HB CYS 101 2HB CYS 101 3.008 -7.361 2.431 739 HG CYS 101 HG CYS 101 3.935 -5.622 4.080 740 H PHE 102 H PHE 102 3.806 -7.521 -0.176 741 HA PHE 102 HA PHE 102 3.740 -10.287 -0.826 742 1HB PHE 102 1HB PHE 102 3.742 -7.921 -2.732 743 2HB PHE 102 2HB PHE 102 2.321 -8.513 -1.879 744 HD1 PHE 102 HD1 PHE 102 1.493 -10.856 -2.325 745 HD2 PHE 102 HD2 PHE 102 4.529 -8.990 -4.719 746 HE1 PHE 102 HE1 PHE 102 1.077 -12.499 -4.129 747 HE2 PHE 102 HE2 PHE 102 4.116 -10.637 -6.525 748 HZ PHE 102 HZ PHE 102 2.373 -12.390 -6.237 749 NH1 ARG 103 NH1 ARG 103 10.119 -6.943 -7.668 750 NH2 ARG 103 NH2 ARG 103 9.800 -4.708 -7.459 751 H ARG 103 H ARG 103 5.957 -7.717 -1.985 752 HA ARG 103 HA ARG 103 7.615 -9.436 -3.560 753 1HB ARG 103 1HB ARG 103 8.582 -6.940 -2.156 754 2HB ARG 103 2HB ARG 103 7.523 -6.870 -3.566 755 1HG ARG 103 1HG ARG 103 9.234 -8.368 -4.743 756 2HG ARG 103 2HG ARG 103 10.312 -8.035 -3.388 757 1HD ARG 103 1HD ARG 103 10.918 -6.336 -4.858 758 2HD ARG 103 2HD ARG 103 9.673 -5.520 -3.912 759 HE ARG 103 HE ARG 103 8.083 -6.120 -5.799 760 1HH1 ARG 103 1HH1 ARG 103 10.259 -4.558 -8.336 761 2HH1 ARG 103 2HH1 ARG 103 9.449 -3.927 -6.940 762 1HH2 ARG 103 1HH2 ARG 103 10.011 -7.871 -7.309 763 2HH2 ARG 103 2HH2 ARG 103 10.578 -6.798 -8.545 764 H ILE 104 H ILE 104 7.682 -8.630 -0.107 765 HA ILE 104 HA ILE 104 10.280 -9.631 0.504 766 HB ILE 104 HB ILE 104 7.742 -9.482 2.157 767 1HG1 ILE 104 1HG1 ILE 104 9.070 -7.406 1.322 768 2HG1 ILE 104 2HG1 ILE 104 10.293 -7.900 2.493 769 1HG2 ILE 104 1HG2 ILE 104 10.539 -10.337 2.954 770 2HG2 ILE 104 2HG2 ILE 104 9.043 -11.250 3.147 771 3HG2 ILE 104 3HG2 ILE 104 9.325 -9.805 4.117 772 1HD1 ILE 104 1HD1 ILE 104 8.028 -6.349 3.022 773 2HD1 ILE 104 2HD1 ILE 104 9.062 -7.125 4.222 774 3HD1 ILE 104 3HD1 ILE 104 7.611 -7.946 3.645 775 H PHE 105 H PHE 105 7.189 -11.300 0.023 776 HA PHE 105 HA PHE 105 8.086 -13.858 1.024 777 1HB PHE 105 1HB PHE 105 6.108 -14.710 -0.377 778 2HB PHE 105 2HB PHE 105 5.802 -13.016 -0.766 779 HD1 PHE 105 HD1 PHE 105 6.392 -15.288 2.160 780 HD2 PHE 105 HD2 PHE 105 4.519 -11.707 0.700 781 HE1 PHE 105 HE1 PHE 105 5.249 -14.996 4.340 782 HE2 PHE 105 HE2 PHE 105 3.379 -11.416 2.883 783 HZ PHE 105 HZ PHE 105 3.747 -13.062 4.703 784 H ASP 106 H ASP 106 8.086 -12.354 -2.226 785 HA ASP 106 HA ASP 106 9.324 -14.810 -3.325 786 1HB ASP 106 1HB ASP 106 7.791 -13.922 -4.888 787 2HB ASP 106 2HB ASP 106 9.360 -13.410 -5.499 788 H LYS 107 H LYS 107 11.365 -14.917 -2.440 789 HA LYS 107 HA LYS 107 13.142 -12.657 -2.163 790 1HB LYS 107 1HB LYS 107 14.886 -14.392 -1.746 791 2HB LYS 107 2HB LYS 107 13.723 -15.635 -2.210 792 1HG LYS 107 1HG LYS 107 12.207 -14.463 -0.398 793 2HG LYS 107 2HG LYS 107 13.745 -13.860 0.215 794 1HD LYS 107 1HD LYS 107 13.434 -16.783 -0.419 795 2HD LYS 107 2HD LYS 107 12.810 -16.148 1.102 796 1HE LYS 107 1HE LYS 107 15.072 -15.177 1.562 797 2HE LYS 107 2HE LYS 107 15.667 -15.958 0.097 798 1HZ LYS 107 1HZ LYS 107 16.090 -17.279 2.097 799 2HZ LYS 107 2HZ LYS 107 15.078 -18.096 1.004 800 3HZ LYS 107 3HZ LYS 107 14.423 -17.371 2.395 801 H ASN 108 H ASN 108 12.352 -14.721 -4.842 802 HA ASN 108 HA ASN 108 14.819 -14.093 -6.325 803 1HB ASN 108 1HB ASN 108 12.366 -15.369 -7.517 804 2HB ASN 108 2HB ASN 108 13.406 -16.291 -6.433 805 1HD2 ASN 108 1HD2 ASN 108 15.588 -16.802 -7.174 806 2HD2 ASN 108 2HD2 ASN 108 16.051 -16.585 -8.793 807 H ALA 109 H ALA 109 11.644 -12.765 -5.896 808 HA ALA 109 HA ALA 109 10.608 -10.891 -6.806 809 1HB ALA 109 1HB ALA 109 12.180 -9.285 -6.716 810 2HB ALA 109 2HB ALA 109 12.552 -9.658 -8.398 811 3HB ALA 109 3HB ALA 109 13.464 -10.430 -7.102 812 H ASP 110 H ASP 110 9.351 -12.388 -8.126 813 HA ASP 110 HA ASP 110 10.038 -12.178 -11.034 814 1HB ASP 110 1HB ASP 110 8.986 -14.388 -11.368 815 2HB ASP 110 2HB ASP 110 8.702 -14.516 -9.633 816 H GLY 111 H GLY 111 7.410 -12.517 -8.634 817 1HA GLY 111 1HA GLY 111 5.415 -11.686 -10.650 818 2HA GLY 111 2HA GLY 111 5.696 -10.564 -9.320 819 H PHE 112 H PHE 112 5.929 -14.043 -8.811 820 HA PHE 112 HA PHE 112 3.494 -13.871 -7.092 821 1HB PHE 112 1HB PHE 112 2.574 -15.873 -7.950 822 2HB PHE 112 2HB PHE 112 4.080 -16.330 -8.741 823 HD1 PHE 112 HD1 PHE 112 1.309 -13.830 -8.815 824 HD2 PHE 112 HD2 PHE 112 4.531 -15.671 -10.978 825 HE1 PHE 112 HE1 PHE 112 0.551 -12.712 -10.895 826 HE2 PHE 112 HE2 PHE 112 3.772 -14.552 -13.057 827 HZ PHE 112 HZ PHE 112 1.783 -13.074 -13.016 828 H ILE 113 H ILE 113 3.467 -15.475 -5.368 829 HA ILE 113 HA ILE 113 6.187 -16.152 -4.424 830 HB ILE 113 HB ILE 113 3.439 -16.281 -3.141 831 1HG1 ILE 113 1HG1 ILE 113 5.931 -14.607 -2.719 832 2HG1 ILE 113 2HG1 ILE 113 4.644 -14.703 -1.519 833 1HG2 ILE 113 1HG2 ILE 113 4.547 -18.172 -2.218 834 2HG2 ILE 113 2HG2 ILE 113 4.804 -16.882 -1.044 835 3HG2 ILE 113 3HG2 ILE 113 6.097 -17.333 -2.156 836 1HD1 ILE 113 1HD1 ILE 113 3.937 -12.859 -2.725 837 2HD1 ILE 113 2HD1 ILE 113 3.108 -14.142 -3.608 838 3HD1 ILE 113 3HD1 ILE 113 4.607 -13.462 -4.241 839 H ASP 114 H ASP 114 7.007 -18.218 -4.535 840 HA ASP 114 HA ASP 114 5.230 -20.324 -5.663 841 1HB ASP 114 1HB ASP 114 7.165 -21.408 -6.459 842 2HB ASP 114 2HB ASP 114 8.210 -20.593 -5.299 843 H ILE 115 H ILE 115 5.182 -22.435 -4.733 844 HA ILE 115 HA ILE 115 5.038 -22.530 -1.883 845 HB ILE 115 HB ILE 115 3.796 -24.058 -3.406 846 1HG1 ILE 115 1HG1 ILE 115 3.888 -24.814 -1.173 847 2HG1 ILE 115 2HG1 ILE 115 5.603 -25.205 -1.278 848 1HG2 ILE 115 1HG2 ILE 115 6.381 -25.580 -3.764 849 2HG2 ILE 115 2HG2 ILE 115 5.837 -24.380 -4.937 850 3HG2 ILE 115 3HG2 ILE 115 4.851 -25.807 -4.613 851 1HD1 ILE 115 1HD1 ILE 115 3.553 -26.619 -2.987 852 2HD1 ILE 115 2HD1 ILE 115 3.938 -27.176 -1.358 853 3HD1 ILE 115 3HD1 ILE 115 5.194 -27.133 -2.595 854 H GLU 116 H GLU 116 7.532 -23.580 -4.171 855 HA GLU 116 HA GLU 116 9.301 -24.753 -2.231 856 1HB GLU 116 1HB GLU 116 9.556 -25.204 -4.635 857 2HB GLU 116 2HB GLU 116 11.043 -24.516 -3.986 858 1HG GLU 116 1HG GLU 116 10.431 -22.305 -4.854 859 2HG GLU 116 2HG GLU 116 8.890 -22.936 -5.435 860 H GLU 117 H GLU 117 8.899 -21.449 -3.454 861 HA GLU 117 HA GLU 117 11.234 -20.328 -2.217 862 1HB GLU 117 1HB GLU 117 9.132 -18.385 -2.306 863 2HB GLU 117 2HB GLU 117 9.008 -19.386 -3.753 864 1HG GLU 117 1HG GLU 117 10.508 -17.539 -4.230 865 2HG GLU 117 2HG GLU 117 11.465 -19.018 -4.138 866 H LEU 118 H LEU 118 7.837 -20.640 -1.122 867 HA LEU 118 HA LEU 118 8.301 -19.317 1.412 868 1HB LEU 118 1HB LEU 118 6.116 -21.337 0.913 869 2HB LEU 118 2HB LEU 118 6.052 -19.723 0.205 870 HG LEU 118 HG LEU 118 6.704 -19.836 3.101 871 1HD1 LEU 118 1HD1 LEU 118 4.681 -18.208 1.532 872 2HD1 LEU 118 2HD1 LEU 118 6.370 -17.744 1.733 873 3HD1 LEU 118 3HD1 LEU 118 5.313 -17.851 3.140 874 1HD2 LEU 118 1HD2 LEU 118 4.917 -21.606 2.749 875 2HD2 LEU 118 2HD2 LEU 118 3.867 -20.323 2.146 876 3HD2 LEU 118 3HD2 LEU 118 4.444 -20.280 3.812 877 H GLY 119 H GLY 119 8.668 -22.640 0.297 878 1HA GLY 119 1HA GLY 119 9.572 -24.519 1.368 879 2HA GLY 119 2HA GLY 119 8.652 -24.006 2.782 880 H GLU 120 H GLU 120 11.390 -22.453 1.063 881 HA GLU 120 HA GLU 120 13.326 -23.032 3.126 882 1HB GLU 120 1HB GLU 120 14.371 -20.829 1.972 883 2HB GLU 120 2HB GLU 120 13.223 -21.289 0.712 884 1HG GLU 120 1HG GLU 120 15.180 -22.478 0.134 885 2HG GLU 120 2HG GLU 120 14.215 -23.678 0.994 886 H ILE 121 H ILE 121 11.207 -20.239 2.469 887 HA ILE 121 HA ILE 121 12.204 -18.472 4.451 888 HB ILE 121 HB ILE 121 9.384 -18.847 3.389 889 1HG1 ILE 121 1HG1 ILE 121 11.422 -18.102 1.916 890 2HG1 ILE 121 2HG1 ILE 121 11.272 -16.577 2.787 891 1HG2 ILE 121 1HG2 ILE 121 9.179 -17.714 5.509 892 2HG2 ILE 121 2HG2 ILE 121 9.058 -16.485 4.250 893 3HG2 ILE 121 3HG2 ILE 121 10.561 -16.678 5.152 894 1HD1 ILE 121 1HD1 ILE 121 8.656 -17.426 1.960 895 2HD1 ILE 121 2HD1 ILE 121 9.736 -17.479 0.566 896 3HD1 ILE 121 3HD1 ILE 121 9.543 -15.981 1.476 897 H LEU 122 H LEU 122 9.814 -21.116 4.716 898 HA LEU 122 HA LEU 122 9.208 -20.629 7.503 899 1HB LEU 122 1HB LEU 122 8.536 -23.193 7.284 900 2HB LEU 122 2HB LEU 122 8.729 -22.863 5.562 901 HG LEU 122 HG LEU 122 7.278 -20.702 6.229 902 1HD1 LEU 122 1HD1 LEU 122 6.512 -23.484 5.438 903 2HD1 LEU 122 2HD1 LEU 122 6.386 -21.985 4.520 904 3HD1 LEU 122 3HD1 LEU 122 5.223 -22.337 5.797 905 1HD2 LEU 122 1HD2 LEU 122 7.162 -21.329 8.617 906 2HD2 LEU 122 2HD2 LEU 122 6.411 -22.863 8.180 907 3HD2 LEU 122 3HD2 LEU 122 5.558 -21.347 7.885 908 NH1 ARG 123 NH1 ARG 123 15.221 -29.249 6.307 909 NH2 ARG 123 NH2 ARG 123 13.054 -29.911 6.436 910 H ARG 123 H ARG 123 11.514 -22.794 5.833 911 HA ARG 123 HA ARG 123 12.469 -24.028 8.272 912 1HB ARG 123 1HB ARG 123 14.413 -24.729 6.788 913 2HB ARG 123 2HB ARG 123 13.622 -23.849 5.480 914 1HG ARG 123 1HG ARG 123 11.803 -25.321 5.420 915 2HG ARG 123 2HG ARG 123 12.056 -25.857 7.081 916 1HD ARG 123 1HD ARG 123 14.322 -26.415 5.278 917 2HD ARG 123 2HD ARG 123 12.834 -27.261 4.850 918 HE ARG 123 HE ARG 123 13.479 -27.450 7.693 919 1HH1 ARG 123 1HH1 ARG 123 15.497 -30.190 6.106 920 2HH1 ARG 123 2HH1 ARG 123 15.910 -28.527 6.360 921 1HH2 ARG 123 1HH2 ARG 123 12.090 -29.692 6.588 922 2HH2 ARG 123 2HH2 ARG 123 13.328 -30.851 6.236 923 H ALA 124 H ALA 124 13.416 -21.144 6.451 924 HA ALA 124 HA ALA 124 15.970 -20.637 7.510 925 1HB ALA 124 1HB ALA 124 13.756 -18.698 6.792 926 2HB ALA 124 2HB ALA 124 15.071 -19.248 5.752 927 3HB ALA 124 3HB ALA 124 15.416 -18.209 7.135 928 H THR 125 H THR 125 12.818 -20.125 9.081 929 HA THR 125 HA THR 125 13.802 -18.502 11.235 930 HB THR 125 HB THR 125 11.391 -18.710 10.639 931 HG1 THR 125 HG1 THR 125 11.046 -18.111 12.604 932 1HG2 THR 125 1HG2 THR 125 11.831 -21.408 10.676 933 2HG2 THR 125 2HG2 THR 125 10.237 -20.661 10.773 934 3HG2 THR 125 3HG2 THR 125 11.067 -21.162 12.245 935 H GLY 126 H GLY 126 14.056 -21.927 10.664 936 1HA GLY 126 1HA GLY 126 15.705 -22.215 13.060 937 2HA GLY 126 2HA GLY 126 15.377 -23.472 11.868 938 H GLU 127 H GLU 127 12.364 -22.653 12.337 939 HA GLU 127 HA GLU 127 11.863 -23.633 15.052 940 1HB GLU 127 1HB GLU 127 9.420 -23.651 14.065 941 2HB GLU 127 2HB GLU 127 10.157 -22.735 12.751 942 1HG GLU 127 1HG GLU 127 11.089 -21.152 14.469 943 2HG GLU 127 2HG GLU 127 10.175 -22.023 15.701 944 H HIS 128 H HIS 128 12.546 -25.173 12.097 945 HA HIS 128 HA HIS 128 12.526 -27.422 11.485 946 1HB HIS 128 1HB HIS 128 11.316 -28.321 14.059 947 2HB HIS 128 2HB HIS 128 12.897 -27.546 14.148 948 HD1 HIS 128 HD1 HIS 128 14.723 -29.220 14.031 949 HD2 HIS 128 HD2 HIS 128 11.466 -30.368 11.695 950 HE1 HIS 128 HE1 HIS 128 15.355 -31.423 12.952 951 H VAL 129 H VAL 129 10.769 -26.724 10.039 952 HA VAL 129 HA VAL 129 8.046 -27.569 10.911 953 HB VAL 129 HB VAL 129 8.279 -25.307 9.935 954 1HG1 VAL 129 1HG1 VAL 129 8.698 -25.182 7.437 955 2HG1 VAL 129 2HG1 VAL 129 9.261 -26.851 7.527 956 3HG1 VAL 129 3HG1 VAL 129 10.113 -25.585 8.410 957 1HG2 VAL 129 1HG2 VAL 129 6.210 -26.780 9.632 958 2HG2 VAL 129 2HG2 VAL 129 6.787 -27.068 7.991 959 3HG2 VAL 129 3HG2 VAL 129 6.381 -25.432 8.508 960 H ILE 130 H ILE 130 6.772 -28.844 9.362 961 HA ILE 130 HA ILE 130 8.493 -30.832 7.946 962 HB ILE 130 HB ILE 130 6.069 -32.037 7.977 963 1HG1 ILE 130 1HG1 ILE 130 5.225 -29.983 9.325 964 2HG1 ILE 130 2HG1 ILE 130 6.130 -30.675 10.671 965 1HG2 ILE 130 1HG2 ILE 130 8.145 -33.032 8.780 966 2HG2 ILE 130 2HG2 ILE 130 6.893 -33.244 10.005 967 3HG2 ILE 130 3HG2 ILE 130 8.124 -31.998 10.208 968 1HD1 ILE 130 1HD1 ILE 130 3.889 -31.993 9.107 969 2HD1 ILE 130 2HD1 ILE 130 3.848 -31.490 10.797 970 3HD1 ILE 130 3HD1 ILE 130 4.879 -32.833 10.301 971 H GLU 131 H GLU 131 7.946 -31.492 5.814 972 HA GLU 131 HA GLU 131 6.836 -29.432 4.131 973 1HB GLU 131 1HB GLU 131 7.142 -31.059 2.312 974 2HB GLU 131 2HB GLU 131 7.403 -32.345 3.483 975 1HG GLU 131 1HG GLU 131 9.534 -31.416 2.533 976 2HG GLU 131 2HG GLU 131 9.430 -31.270 4.287 977 H GLU 132 H GLU 132 5.552 -32.385 5.586 978 HA GLU 132 HA GLU 132 3.126 -32.548 4.070 979 1HB GLU 132 1HB GLU 132 2.817 -33.308 6.876 980 2HB GLU 132 2HB GLU 132 4.283 -33.987 6.167 981 1HG GLU 132 1HG GLU 132 3.018 -35.000 4.370 982 2HG GLU 132 2HG GLU 132 1.546 -34.167 4.870 983 H ASP 133 H ASP 133 4.103 -30.592 6.857 984 HA ASP 133 HA ASP 133 1.391 -29.566 7.322 985 1HB ASP 133 1HB ASP 133 3.961 -28.335 8.334 986 2HB ASP 133 2HB ASP 133 3.283 -29.788 9.066 987 H ILE 134 H ILE 134 4.412 -28.347 5.852 988 HA ILE 134 HA ILE 134 3.452 -25.726 5.218 989 HB ILE 134 HB ILE 134 5.559 -27.414 3.826 990 1HG1 ILE 134 1HG1 ILE 134 5.770 -26.766 6.341 991 2HG1 ILE 134 2HG1 ILE 134 6.026 -25.130 5.740 992 1HG2 ILE 134 1HG2 ILE 134 4.970 -25.676 2.306 993 2HG2 ILE 134 2HG2 ILE 134 6.400 -25.081 3.151 994 3HG2 ILE 134 3HG2 ILE 134 4.798 -24.494 3.604 995 1HD1 ILE 134 1HD1 ILE 134 7.888 -27.326 5.839 996 2HD1 ILE 134 2HD1 ILE 134 8.182 -25.656 5.354 997 3HD1 ILE 134 3HD1 ILE 134 7.649 -26.839 4.160 998 H GLU 135 H GLU 135 3.616 -28.684 3.196 999 HA GLU 135 HA GLU 135 2.409 -27.560 0.877 1000 1HB GLU 135 1HB GLU 135 1.874 -30.421 1.567 1001 2HB GLU 135 2HB GLU 135 3.551 -29.922 1.345 1002 1HG GLU 135 1HG GLU 135 2.924 -28.946 -0.867 1003 2HG GLU 135 2HG GLU 135 1.286 -29.563 -0.644 1004 H ASP 136 H ASP 136 0.920 -29.210 3.680 1005 HA ASP 136 HA ASP 136 -1.769 -29.101 2.642 1006 1HB ASP 136 1HB ASP 136 -1.298 -29.057 5.590 1007 2HB ASP 136 2HB ASP 136 -0.683 -30.440 4.685 1008 H LEU 137 H LEU 137 0.177 -26.869 4.590 1009 HA LEU 137 HA LEU 137 -1.951 -25.115 5.372 1010 1HB LEU 137 1HB LEU 137 0.918 -24.297 4.858 1011 2HB LEU 137 2HB LEU 137 0.431 -25.196 6.293 1012 HG LEU 137 HG LEU 137 -1.127 -22.740 5.609 1013 1HD1 LEU 137 1HD1 LEU 137 -1.787 -24.058 7.537 1014 2HD1 LEU 137 2HD1 LEU 137 -1.066 -22.557 8.119 1015 3HD1 LEU 137 3HD1 LEU 137 -0.136 -24.055 8.157 1016 1HD2 LEU 137 1HD2 LEU 137 1.660 -22.729 6.812 1017 2HD2 LEU 137 2HD2 LEU 137 0.560 -21.349 6.822 1018 3HD2 LEU 137 3HD2 LEU 137 1.174 -21.978 5.291 1019 H MET 138 H MET 138 0.278 -25.033 2.569 1020 HA MET 138 HA MET 138 -0.810 -22.597 1.474 1021 1HB MET 138 1HB MET 138 0.548 -24.719 -0.181 1022 2HB MET 138 2HB MET 138 1.462 -23.743 0.969 1023 1HG MET 138 1HG MET 138 0.530 -21.686 -0.145 1024 2HG MET 138 2HG MET 138 -0.192 -22.735 -1.366 1025 1HE MET 138 1HE MET 138 1.080 -20.883 -2.698 1026 2HE MET 138 2HE MET 138 1.035 -22.375 -3.633 1027 3HE MET 138 3HE MET 138 2.516 -21.423 -3.578 1028 H LYS 139 H LYS 139 -1.398 -26.055 0.681 1029 HA LYS 139 HA LYS 139 -3.252 -25.521 -1.443 1030 1HB LYS 139 1HB LYS 139 -2.176 -27.737 -1.078 1031 2HB LYS 139 2HB LYS 139 -3.928 -27.857 -1.230 1032 1HG LYS 139 1HG LYS 139 -3.740 -27.551 1.449 1033 2HG LYS 139 2HG LYS 139 -2.190 -28.326 1.140 1034 1HD LYS 139 1HD LYS 139 -3.164 -30.322 0.693 1035 2HD LYS 139 2HD LYS 139 -4.409 -29.581 -0.313 1036 1HE LYS 139 1HE LYS 139 -4.489 -29.292 2.687 1037 2HE LYS 139 2HE LYS 139 -5.131 -30.739 1.910 1038 1HZ LYS 139 1HZ LYS 139 -6.602 -29.383 0.602 1039 2HZ LYS 139 2HZ LYS 139 -5.938 -27.958 1.245 1040 3HZ LYS 139 3HZ LYS 139 -6.821 -29.012 2.242 1041 H ASP 140 H ASP 140 -3.643 -25.460 2.032 1042 HA ASP 140 HA ASP 140 -6.582 -25.555 1.884 1043 1HB ASP 140 1HB ASP 140 -5.007 -24.745 4.322 1044 2HB ASP 140 2HB ASP 140 -5.048 -26.433 3.812 1045 H SER 141 H SER 141 -4.014 -23.142 2.198 1046 HA SER 141 HA SER 141 -5.875 -20.961 2.798 1047 1HB SER 141 1HB SER 141 -3.826 -19.530 2.456 1048 2HB SER 141 2HB SER 141 -2.932 -21.002 2.085 1049 HG SER 141 HG SER 141 -3.812 -20.056 4.498 1050 H ASP 142 H ASP 142 -4.274 -22.271 -0.089 1051 HA ASP 142 HA ASP 142 -4.921 -20.041 -1.818 1052 1HB ASP 142 1HB ASP 142 -4.804 -22.550 -3.258 1053 2HB ASP 142 2HB ASP 142 -3.513 -22.490 -2.060 1054 H LYS 143 H LYS 143 -7.056 -19.453 -1.968 1055 HA LYS 143 HA LYS 143 -9.240 -21.356 -1.806 1056 1HB LYS 143 1HB LYS 143 -10.671 -19.506 -1.985 1057 2HB LYS 143 2HB LYS 143 -9.537 -18.602 -2.985 1058 1HG LYS 143 1HG LYS 143 -9.495 -17.588 -0.817 1059 2HG LYS 143 2HG LYS 143 -8.008 -18.495 -0.952 1060 1HD LYS 143 1HD LYS 143 -8.718 -20.147 0.525 1061 2HD LYS 143 2HD LYS 143 -10.427 -19.823 0.224 1062 1HE LYS 143 1HE LYS 143 -9.792 -17.454 1.266 1063 2HE LYS 143 2HE LYS 143 -8.506 -18.394 2.022 1064 1HZ LYS 143 1HZ LYS 143 -11.427 -18.863 2.213 1065 2HZ LYS 143 2HZ LYS 143 -10.366 -18.431 3.467 1066 3HZ LYS 143 3HZ LYS 143 -10.266 -19.972 2.760 1067 H ASN 144 H ASN 144 -7.541 -19.733 -4.467 1068 HA ASN 144 HA ASN 144 -9.349 -20.979 -6.456 1069 1HB ASN 144 1HB ASN 144 -7.786 -19.750 -8.081 1070 2HB ASN 144 2HB ASN 144 -7.060 -19.013 -6.655 1071 1HD2 ASN 144 1HD2 ASN 144 -10.105 -19.269 -8.493 1072 2HD2 ASN 144 2HD2 ASN 144 -10.811 -17.887 -7.812 1073 H ASN 145 H ASN 145 -6.161 -21.393 -5.064 1074 HA ASN 145 HA ASN 145 -4.546 -23.042 -5.341 1075 1HB ASN 145 1HB ASN 145 -5.315 -25.252 -6.180 1076 2HB ASN 145 2HB ASN 145 -6.846 -24.522 -6.662 1077 1HD2 ASN 145 1HD2 ASN 145 -4.778 -25.080 -3.762 1078 2HD2 ASN 145 2HD2 ASN 145 -6.069 -25.089 -2.660 1079 H ASP 146 H ASP 146 -3.436 -21.575 -6.813 1080 HA ASP 146 HA ASP 146 -3.611 -22.422 -9.683 1081 1HB ASP 146 1HB ASP 146 -2.936 -20.228 -10.331 1082 2HB ASP 146 2HB ASP 146 -2.444 -19.813 -8.691 1083 H GLY 147 H GLY 147 -1.902 -23.335 -7.187 1084 1HA GLY 147 1HA GLY 147 0.609 -23.588 -8.721 1085 2HA GLY 147 2HA GLY 147 0.207 -24.454 -7.236 1086 NH1 ARG 148 NH1 ARG 148 4.299 -22.966 -11.644 1087 NH2 ARG 148 NH2 ARG 148 4.948 -20.812 -11.920 1088 H ARG 148 H ARG 148 0.511 -21.014 -8.226 1089 HA ARG 148 HA ARG 148 2.282 -20.571 -5.861 1090 1HB ARG 148 1HB ARG 148 2.984 -18.522 -7.231 1091 2HB ARG 148 2HB ARG 148 2.112 -19.251 -8.576 1092 1HG ARG 148 1HG ARG 148 4.112 -20.887 -7.053 1093 2HG ARG 148 2HG ARG 148 4.671 -19.736 -8.262 1094 1HD ARG 148 1HD ARG 148 2.758 -20.901 -9.717 1095 2HD ARG 148 2HD ARG 148 3.092 -22.243 -8.623 1096 HE ARG 148 HE ARG 148 5.581 -21.778 -9.376 1097 1HH1 ARG 148 1HH1 ARG 148 4.899 -20.922 -12.914 1098 2HH1 ARG 148 2HH1 ARG 148 5.221 -19.932 -11.529 1099 1HH2 ARG 148 1HH2 ARG 148 4.076 -23.733 -11.042 1100 2HH2 ARG 148 2HH2 ARG 148 4.248 -23.080 -12.637 1101 H ILE 149 H ILE 149 2.156 -18.187 -5.116 1102 HA ILE 149 HA ILE 149 -0.729 -17.423 -4.892 1103 HB ILE 149 HB ILE 149 1.640 -16.636 -3.156 1104 1HG1 ILE 149 1HG1 ILE 149 0.553 -19.063 -3.136 1105 2HG1 ILE 149 2HG1 ILE 149 -0.710 -18.248 -2.214 1106 1HG2 ILE 149 1HG2 ILE 149 -0.184 -15.750 -1.654 1107 2HG2 ILE 149 2HG2 ILE 149 -1.325 -16.018 -2.972 1108 3HG2 ILE 149 3HG2 ILE 149 -0.009 -14.861 -3.167 1109 1HD1 ILE 149 1HD1 ILE 149 1.293 -19.287 -0.915 1110 2HD1 ILE 149 2HD1 ILE 149 0.772 -17.659 -0.480 1111 3HD1 ILE 149 3HD1 ILE 149 2.196 -17.888 -1.494 1112 H ASP 150 H ASP 150 -1.382 -15.462 -5.727 1113 HA ASP 150 HA ASP 150 0.762 -13.746 -6.920 1114 1HB ASP 150 1HB ASP 150 -0.468 -14.378 -8.772 1115 2HB ASP 150 2HB ASP 150 -1.326 -12.911 -8.318 1116 H PHE 151 H PHE 151 -0.007 -11.397 -7.196 1117 HA PHE 151 HA PHE 151 -0.459 -10.233 -4.633 1118 1HB PHE 151 1HB PHE 151 -1.009 -8.934 -7.317 1119 2HB PHE 151 2HB PHE 151 0.606 -9.110 -6.633 1120 HD1 PHE 151 HD1 PHE 151 -2.255 -7.025 -6.818 1121 HD2 PHE 151 HD2 PHE 151 0.902 -8.223 -4.161 1122 HE1 PHE 151 HE1 PHE 151 -2.600 -4.967 -5.481 1123 HE2 PHE 151 HE2 PHE 151 0.554 -6.164 -2.824 1124 HZ PHE 151 HZ PHE 151 -1.195 -4.536 -3.489 1125 H ASP 152 H ASP 152 -2.692 -11.256 -7.153 1126 HA ASP 152 HA ASP 152 -5.025 -9.837 -6.267 1127 1HB ASP 152 1HB ASP 152 -6.296 -11.498 -7.525 1128 2HB ASP 152 2HB ASP 152 -4.917 -12.589 -7.546 1129 H GLU 153 H GLU 153 -4.102 -13.249 -5.687 1130 HA GLU 153 HA GLU 153 -6.039 -13.699 -3.616 1131 1HB GLU 153 1HB GLU 153 -3.441 -15.192 -3.620 1132 2HB GLU 153 2HB GLU 153 -4.503 -15.365 -5.018 1133 1HG GLU 153 1HG GLU 153 -6.349 -16.056 -3.554 1134 2HG GLU 153 2HG GLU 153 -5.333 -15.820 -2.132 1135 H PHE 154 H PHE 154 -2.835 -12.258 -3.604 1136 HA PHE 154 HA PHE 154 -2.168 -12.496 -0.853 1137 1HB PHE 154 1HB PHE 154 -1.567 -10.103 -2.611 1138 2HB PHE 154 2HB PHE 154 -0.682 -11.623 -2.715 1139 HD1 PHE 154 HD1 PHE 154 -0.880 -8.460 -1.078 1140 HD2 PHE 154 HD2 PHE 154 0.295 -12.547 -0.471 1141 HE1 PHE 154 HE1 PHE 154 0.545 -7.773 0.830 1142 HE2 PHE 154 HE2 PHE 154 1.718 -11.857 1.437 1143 HZ PHE 154 HZ PHE 154 1.844 -9.468 2.087 1144 H LEU 155 H LEU 155 -4.330 -10.237 -2.525 1145 HA LEU 155 HA LEU 155 -4.674 -8.310 -0.469 1146 1HB LEU 155 1HB LEU 155 -6.900 -7.893 -1.506 1147 2HB LEU 155 2HB LEU 155 -6.708 -9.356 -2.469 1148 HG LEU 155 HG LEU 155 -4.495 -8.310 -3.277 1149 1HD1 LEU 155 1HD1 LEU 155 -6.728 -8.478 -4.532 1150 2HD1 LEU 155 2HD1 LEU 155 -5.599 -7.246 -5.096 1151 3HD1 LEU 155 3HD1 LEU 155 -6.974 -6.788 -4.092 1152 1HD2 LEU 155 1HD2 LEU 155 -4.574 -5.776 -3.225 1153 2HD2 LEU 155 2HD2 LEU 155 -4.259 -6.529 -1.662 1154 3HD2 LEU 155 3HD2 LEU 155 -5.867 -5.909 -2.033 1155 H LYS 156 H LYS 156 -6.722 -11.182 -1.148 1156 HA LYS 156 HA LYS 156 -8.148 -10.972 1.368 1157 1HB LYS 156 1HB LYS 156 -7.926 -13.593 -0.064 1158 2HB LYS 156 2HB LYS 156 -8.740 -12.263 -0.889 1159 1HG LYS 156 1HG LYS 156 -10.082 -11.966 1.290 1160 2HG LYS 156 2HG LYS 156 -9.455 -13.548 1.756 1161 1HD LYS 156 1HD LYS 156 -10.593 -13.389 -0.978 1162 2HD LYS 156 2HD LYS 156 -11.753 -13.188 0.336 1163 1HE LYS 156 1HE LYS 156 -10.693 -15.286 1.373 1164 2HE LYS 156 2HE LYS 156 -9.912 -15.530 -0.188 1165 1HZ LYS 156 1HZ LYS 156 -12.078 -15.541 -1.243 1166 2HZ LYS 156 2HZ LYS 156 -12.840 -15.276 0.253 1167 3HZ LYS 156 3HZ LYS 156 -12.009 -16.729 -0.034 1168 H MET 157 H MET 157 -5.155 -12.489 0.357 1169 HA MET 157 HA MET 157 -4.794 -14.438 2.370 1170 1HB MET 157 1HB MET 157 -2.387 -12.858 1.709 1171 2HB MET 157 2HB MET 157 -3.270 -13.461 0.308 1172 1HG MET 157 1HG MET 157 -2.764 -15.634 0.764 1173 2HG MET 157 2HG MET 157 -2.922 -15.407 2.504 1174 1HE MET 157 1HE MET 157 -0.451 -13.117 3.341 1175 2HE MET 157 2HE MET 157 0.133 -14.653 3.976 1176 3HE MET 157 3HE MET 157 -1.599 -14.340 3.901 1177 H MET 158 H MET 158 -4.285 -10.921 2.488 1178 HA MET 158 HA MET 158 -3.326 -11.073 5.270 1179 1HB MET 158 1HB MET 158 -4.000 -8.483 3.914 1180 2HB MET 158 2HB MET 158 -2.595 -9.381 3.342 1181 1HG MET 158 1HG MET 158 -1.790 -9.480 5.732 1182 2HG MET 158 2HG MET 158 -3.111 -8.394 6.163 1183 1HE MET 158 1HE MET 158 -0.199 -7.614 6.868 1184 2HE MET 158 2HE MET 158 0.815 -6.959 5.583 1185 3HE MET 158 3HE MET 158 0.374 -8.664 5.566 1186 H GLU 159 H GLU 159 -4.729 -10.963 6.931 1187 HA GLU 159 HA GLU 159 -7.573 -10.745 6.499 1188 1HB GLU 159 1HB GLU 159 -6.826 -12.112 8.328 1189 2HB GLU 159 2HB GLU 159 -7.698 -10.748 9.024 1190 1HG GLU 159 1HG GLU 159 -5.100 -9.796 8.884 1191 2HG GLU 159 2HG GLU 159 -4.868 -11.496 9.293 1192 H GLY 160 H GLY 160 -7.695 -8.650 5.428 1193 1HA GLY 160 1HA GLY 160 -7.885 -6.295 5.368 1194 2HA GLY 160 2HA GLY 160 -6.998 -6.221 6.892 1195 H VAL 161 H VAL 161 -10.148 -7.543 5.770 1196 HA VAL 161 HA VAL 161 -11.437 -6.124 8.057 1197 HB VAL 161 HB VAL 161 -12.769 -7.200 5.552 1198 1HG1 VAL 161 1HG1 VAL 161 -14.426 -5.339 6.339 1199 2HG1 VAL 161 2HG1 VAL 161 -13.608 -5.506 7.894 1200 3HG1 VAL 161 3HG1 VAL 161 -14.430 -6.892 7.177 1201 1HG2 VAL 161 1HG2 VAL 161 -12.811 -4.748 4.895 1202 2HG2 VAL 161 2HG2 VAL 161 -11.217 -5.500 4.835 1203 3HG2 VAL 161 3HG2 VAL 161 -11.648 -4.455 6.189 1204 H GLN 162 H GLN 162 -10.449 -8.137 9.192 1205 HA GLN 162 HA GLN 162 -12.358 -10.436 8.995 1206 1HB GLN 162 1HB GLN 162 -9.742 -10.695 10.426 1207 2HB GLN 162 2HB GLN 162 -9.721 -10.655 8.663 1208 1HG GLN 162 1HG GLN 162 -10.898 -12.649 8.473 1209 2HG GLN 162 2HG GLN 162 -11.705 -12.442 10.027 1210 1HE2 GLN 162 1HE2 GLN 162 -10.828 -13.632 11.750 1211 2HE2 GLN 162 2HE2 GLN 162 -9.284 -14.337 11.748 Start of MODEL 11 Raw file had 1211 H/Q atoms Start of MODEL 11 1 1H ALA 1 1H ALA 1 -18.263 9.356 -16.814 2 2H ALA 1 2H ALA 1 -19.749 8.781 -17.405 3 3H ALA 1 3H ALA 1 -18.358 8.698 -18.375 4 HA ALA 1 HA ALA 1 -19.071 6.549 -17.315 5 1HB ALA 1 1HB ALA 1 -16.855 6.711 -18.218 6 2HB ALA 1 2HB ALA 1 -16.676 6.035 -16.598 7 3HB ALA 1 3HB ALA 1 -16.318 7.738 -16.888 8 H SER 2 H SER 2 -20.504 7.963 -15.543 9 HA SER 2 HA SER 2 -21.181 8.020 -13.311 10 1HB SER 2 1HB SER 2 -18.997 6.151 -12.484 11 2HB SER 2 2HB SER 2 -20.216 5.554 -13.606 12 HG SER 2 HG SER 2 -21.738 5.745 -12.136 13 H MET 3 H MET 3 -20.552 10.158 -12.877 14 HA MET 3 HA MET 3 -17.789 10.666 -11.940 15 1HB MET 3 1HB MET 3 -18.768 12.316 -13.456 16 2HB MET 3 2HB MET 3 -18.495 13.046 -11.876 17 1HG MET 3 1HG MET 3 -20.667 13.648 -11.861 18 2HG MET 3 2HG MET 3 -21.087 11.940 -11.757 19 1HE MET 3 1HE MET 3 -23.502 12.016 -14.449 20 2HE MET 3 2HE MET 3 -23.450 13.144 -13.095 21 3HE MET 3 3HE MET 3 -22.939 11.474 -12.862 22 H THR 4 H THR 4 -21.035 10.320 -10.618 23 HA THR 4 HA THR 4 -19.934 10.964 -7.907 24 HB THR 4 HB THR 4 -22.375 11.351 -7.296 25 HG1 THR 4 HG1 THR 4 -23.602 10.578 -8.843 26 1HG2 THR 4 1HG2 THR 4 -22.256 13.598 -7.912 27 2HG2 THR 4 2HG2 THR 4 -21.560 13.232 -9.490 28 3HG2 THR 4 3HG2 THR 4 -20.569 13.102 -8.038 29 H ASP 5 H ASP 5 -19.368 8.469 -8.788 30 HA ASP 5 HA ASP 5 -21.474 6.574 -8.021 31 1HB ASP 5 1HB ASP 5 -18.556 5.890 -8.388 32 2HB ASP 5 2HB ASP 5 -19.595 6.206 -9.776 33 H GLN 6 H GLN 6 -18.284 7.550 -6.716 34 HA GLN 6 HA GLN 6 -18.562 6.027 -4.270 35 1HB GLN 6 1HB GLN 6 -16.609 7.278 -3.501 36 2HB GLN 6 2HB GLN 6 -16.819 8.456 -4.795 37 1HG GLN 6 1HG GLN 6 -16.730 6.139 -6.234 38 2HG GLN 6 2HG GLN 6 -15.670 5.726 -4.885 39 1HE2 GLN 6 1HE2 GLN 6 -16.103 8.000 -7.598 40 2HE2 GLN 6 2HE2 GLN 6 -14.511 8.588 -7.578 41 H GLN 7 H GLN 7 -19.300 9.370 -5.212 42 HA GLN 7 HA GLN 7 -19.958 10.276 -2.547 43 1HB GLN 7 1HB GLN 7 -21.108 12.153 -3.776 44 2HB GLN 7 2HB GLN 7 -20.730 11.325 -5.287 45 1HG GLN 7 1HG GLN 7 -18.279 11.329 -4.093 46 2HG GLN 7 2HG GLN 7 -18.952 12.829 -3.452 47 1HE2 GLN 7 1HE2 GLN 7 -17.241 11.589 -6.078 48 2HE2 GLN 7 2HE2 GLN 7 -17.605 12.792 -7.218 49 H ALA 8 H ALA 8 -21.880 8.974 -5.259 50 HA ALA 8 HA ALA 8 -24.440 9.307 -3.990 51 1HB ALA 8 1HB ALA 8 -25.222 7.628 -5.668 52 2HB ALA 8 2HB ALA 8 -23.543 7.374 -6.140 53 3HB ALA 8 3HB ALA 8 -24.299 8.949 -6.385 54 H GLU 9 H GLU 9 -21.912 7.149 -3.161 55 HA GLU 9 HA GLU 9 -23.889 5.281 -1.926 56 1HB GLU 9 1HB GLU 9 -22.385 4.090 -3.419 57 2HB GLU 9 2HB GLU 9 -22.001 3.653 -1.756 58 1HG GLU 9 1HG GLU 9 -20.105 5.186 -1.745 59 2HG GLU 9 2HG GLU 9 -20.529 5.768 -3.354 60 H ALA 10 H ALA 10 -20.869 7.081 -1.263 61 HA ALA 10 HA ALA 10 -20.826 6.432 1.549 62 1HB ALA 10 1HB ALA 10 -19.698 8.954 0.309 63 2HB ALA 10 2HB ALA 10 -18.899 7.390 0.152 64 3HB ALA 10 3HB ALA 10 -19.131 8.104 1.747 65 NH1 ARG 11 NH1 ARG 11 -24.625 15.176 -1.625 66 NH2 ARG 11 NH2 ARG 11 -22.497 14.757 -2.288 67 H ARG 11 H ARG 11 -22.565 8.781 -0.391 68 HA ARG 11 HA ARG 11 -23.313 10.554 1.774 69 1HB ARG 11 1HB ARG 11 -25.271 11.061 0.102 70 2HB ARG 11 2HB ARG 11 -24.348 10.047 -1.009 71 1HG ARG 11 1HG ARG 11 -23.391 12.098 -1.487 72 2HG ARG 11 2HG ARG 11 -22.342 11.599 -0.160 73 1HD ARG 11 1HD ARG 11 -23.527 12.951 1.410 74 2HD ARG 11 2HD ARG 11 -24.870 13.200 0.295 75 HE ARG 11 HE ARG 11 -22.471 14.783 0.389 76 1HH1 ARG 11 1HH1 ARG 11 -22.716 15.093 -3.205 77 2HH1 ARG 11 2HH1 ARG 11 -21.575 14.431 -2.085 78 1HH2 ARG 11 1HH2 ARG 11 -25.327 15.169 -0.914 79 2HH2 ARG 11 2HH2 ARG 11 -24.845 15.511 -2.542 80 H ALA 12 H ALA 12 -24.939 7.796 0.181 81 HA ALA 12 HA ALA 12 -27.255 7.856 1.910 82 1HB ALA 12 1HB ALA 12 -26.222 5.411 0.465 83 2HB ALA 12 2HB ALA 12 -27.027 6.725 -0.393 84 3HB ALA 12 3HB ALA 12 -27.892 5.826 0.853 85 H PHE 13 H PHE 13 -24.028 6.551 2.245 86 HA PHE 13 HA PHE 13 -24.681 4.589 4.279 87 1HB PHE 13 1HB PHE 13 -21.969 5.865 4.065 88 2HB PHE 13 2HB PHE 13 -22.539 4.815 2.768 89 HD1 PHE 13 HD1 PHE 13 -23.519 2.496 3.497 90 HD2 PHE 13 HD2 PHE 13 -20.983 4.926 5.971 91 HE1 PHE 13 HE1 PHE 13 -22.949 0.508 4.865 92 HE2 PHE 13 HE2 PHE 13 -20.413 2.937 7.337 93 HZ PHE 13 HZ PHE 13 -21.396 0.729 6.785 94 H LEU 14 H LEU 14 -23.174 7.856 4.467 95 HA LEU 14 HA LEU 14 -24.001 7.901 7.344 96 1HB LEU 14 1HB LEU 14 -21.680 8.193 7.425 97 2HB LEU 14 2HB LEU 14 -22.274 9.854 7.447 98 HG LEU 14 HG LEU 14 -22.063 9.455 4.763 99 1HD1 LEU 14 1HD1 LEU 14 -20.536 11.124 4.947 100 2HD1 LEU 14 2HD1 LEU 14 -19.485 10.169 5.994 101 3HD1 LEU 14 3HD1 LEU 14 -20.864 11.030 6.677 102 1HD2 LEU 14 1HD2 LEU 14 -20.146 8.151 4.222 103 2HD2 LEU 14 2HD2 LEU 14 -21.070 7.147 5.339 104 3HD2 LEU 14 3HD2 LEU 14 -19.656 8.030 5.912 105 H SER 15 H SER 15 -25.702 9.162 7.748 106 HA SER 15 HA SER 15 -26.751 11.042 5.792 107 1HB SER 15 1HB SER 15 -28.411 9.996 7.098 108 2HB SER 15 2HB SER 15 -28.303 11.597 7.817 109 HG SER 15 HG SER 15 -27.826 9.233 8.958 110 H GLU 16 H GLU 16 -27.330 13.369 6.629 111 HA GLU 16 HA GLU 16 -24.975 14.868 7.017 112 1HB GLU 16 1HB GLU 16 -26.990 15.955 6.222 113 2HB GLU 16 2HB GLU 16 -26.502 16.737 7.724 114 1HG GLU 16 1HG GLU 16 -28.113 15.020 8.860 115 2HG GLU 16 2HG GLU 16 -28.788 14.831 7.243 116 H GLU 17 H GLU 17 -26.964 13.244 9.416 117 HA GLU 17 HA GLU 17 -26.012 14.677 11.725 118 1HB GLU 17 1HB GLU 17 -26.579 11.950 12.402 119 2HB GLU 17 2HB GLU 17 -27.760 12.473 11.200 120 1HG GLU 17 1HG GLU 17 -27.090 14.255 13.532 121 2HG GLU 17 2HG GLU 17 -28.237 12.932 13.734 122 H MET 18 H MET 18 -24.956 11.627 10.165 123 HA MET 18 HA MET 18 -22.722 11.208 11.960 124 1HB MET 18 1HB MET 18 -22.285 10.130 9.298 125 2HB MET 18 2HB MET 18 -23.917 9.778 9.856 126 1HG MET 18 1HG MET 18 -21.540 9.331 11.656 127 2HG MET 18 2HG MET 18 -22.026 8.108 10.482 128 1HE MET 18 1HE MET 18 -21.619 7.632 13.200 129 2HE MET 18 2HE MET 18 -22.686 6.281 12.826 130 3HE MET 18 3HE MET 18 -23.010 7.286 14.236 131 H ILE 19 H ILE 19 -23.035 12.600 8.703 132 HA ILE 19 HA ILE 19 -20.338 13.248 8.193 133 HB ILE 19 HB ILE 19 -22.840 14.804 7.455 134 1HG1 ILE 19 1HG1 ILE 19 -22.455 12.326 6.716 135 2HG1 ILE 19 2HG1 ILE 19 -21.215 13.005 5.662 136 1HG2 ILE 19 1HG2 ILE 19 -21.130 16.349 7.048 137 2HG2 ILE 19 2HG2 ILE 19 -21.209 15.490 5.510 138 3HG2 ILE 19 3HG2 ILE 19 -19.948 15.094 6.678 139 1HD1 ILE 19 1HD1 ILE 19 -23.102 13.058 4.281 140 2HD1 ILE 19 2HD1 ILE 19 -23.116 14.682 4.971 141 3HD1 ILE 19 3HD1 ILE 19 -24.189 13.440 5.615 142 H ALA 20 H ALA 20 -22.712 14.966 10.212 143 HA ALA 20 HA ALA 20 -21.227 17.367 10.626 144 1HB ALA 20 1HB ALA 20 -23.624 16.981 11.300 145 2HB ALA 20 2HB ALA 20 -22.635 17.723 12.557 146 3HB ALA 20 3HB ALA 20 -23.030 16.006 12.645 147 H GLU 21 H GLU 21 -21.276 14.328 12.535 148 HA GLU 21 HA GLU 21 -19.302 15.182 14.442 149 1HB GLU 21 1HB GLU 21 -19.046 12.387 14.146 150 2HB GLU 21 2HB GLU 21 -20.742 12.740 13.817 151 1HG GLU 21 1HG GLU 21 -20.554 12.396 16.189 152 2HG GLU 21 2HG GLU 21 -20.746 14.132 15.945 153 H PHE 22 H PHE 22 -19.081 13.644 11.259 154 HA PHE 22 HA PHE 22 -16.246 13.098 11.373 155 1HB PHE 22 1HB PHE 22 -16.405 12.808 8.940 156 2HB PHE 22 2HB PHE 22 -17.986 13.582 8.929 157 HD1 PHE 22 HD1 PHE 22 -19.250 11.716 8.049 158 HD2 PHE 22 HD2 PHE 22 -16.833 11.238 11.572 159 HE1 PHE 22 HE1 PHE 22 -20.312 9.522 8.487 160 HE2 PHE 22 HE2 PHE 22 -17.898 9.046 12.004 161 HZ PHE 22 HZ PHE 22 -19.638 8.187 10.462 162 H LYS 23 H LYS 23 -18.174 15.936 10.606 163 HA LYS 23 HA LYS 23 -16.202 17.470 9.222 164 1HB LYS 23 1HB LYS 23 -18.292 18.614 11.083 165 2HB LYS 23 2HB LYS 23 -18.704 17.961 9.498 166 1HG LYS 23 1HG LYS 23 -17.261 19.563 8.398 167 2HG LYS 23 2HG LYS 23 -16.628 20.125 9.947 168 1HD LYS 23 1HD LYS 23 -19.264 20.504 10.386 169 2HD LYS 23 2HD LYS 23 -19.238 20.703 8.634 170 1HE LYS 23 1HE LYS 23 -17.379 22.361 8.908 171 2HE LYS 23 2HE LYS 23 -17.559 22.220 10.655 172 1HZ LYS 23 1HZ LYS 23 -19.698 23.072 8.778 173 2HZ LYS 23 2HZ LYS 23 -18.786 24.112 9.764 174 3HZ LYS 23 3HZ LYS 23 -19.835 22.974 10.466 175 H ALA 24 H ALA 24 -16.759 16.911 12.683 176 HA ALA 24 HA ALA 24 -15.137 18.990 13.740 177 1HB ALA 24 1HB ALA 24 -16.551 17.649 15.200 178 2HB ALA 24 2HB ALA 24 -14.877 17.484 15.726 179 3HB ALA 24 3HB ALA 24 -15.639 16.193 14.799 180 H ALA 25 H ALA 25 -14.232 15.634 12.915 181 HA ALA 25 HA ALA 25 -11.422 16.006 13.484 182 1HB ALA 25 1HB ALA 25 -12.342 13.769 13.501 183 2HB ALA 25 2HB ALA 25 -11.168 13.860 12.188 184 3HB ALA 25 3HB ALA 25 -12.894 13.935 11.834 185 H PHE 26 H PHE 26 -13.415 16.440 10.600 186 HA PHE 26 HA PHE 26 -11.339 16.578 8.647 187 1HB PHE 26 1HB PHE 26 -14.012 18.012 8.742 188 2HB PHE 26 2HB PHE 26 -13.718 16.417 8.051 189 HD1 PHE 26 HD1 PHE 26 -12.034 16.229 6.132 190 HD2 PHE 26 HD2 PHE 26 -13.686 19.967 7.454 191 HE1 PHE 26 HE1 PHE 26 -11.415 17.264 3.966 192 HE2 PHE 26 HE2 PHE 26 -13.064 21.005 5.288 193 HZ PHE 26 HZ PHE 26 -11.932 19.652 3.544 194 H ASP 27 H ASP 27 -12.795 19.120 10.694 195 HA ASP 27 HA ASP 27 -11.351 21.321 9.578 196 1HB ASP 27 1HB ASP 27 -12.594 20.864 12.297 197 2HB ASP 27 2HB ASP 27 -13.266 21.771 10.946 198 H MET 28 H MET 28 -10.395 18.852 11.906 199 HA MET 28 HA MET 28 -8.151 20.212 13.061 200 1HB MET 28 1HB MET 28 -7.416 18.088 13.848 201 2HB MET 28 2HB MET 28 -8.192 17.236 12.517 202 1HG MET 28 1HG MET 28 -9.475 16.941 14.591 203 2HG MET 28 2HG MET 28 -10.406 17.864 13.416 204 1HE MET 28 1HE MET 28 -8.984 17.368 16.568 205 2HE MET 28 2HE MET 28 -10.585 17.933 17.038 206 3HE MET 28 3HE MET 28 -9.156 18.833 17.544 207 H PHE 29 H PHE 29 -8.317 17.908 10.341 208 HA PHE 29 HA PHE 29 -5.601 18.165 9.518 209 1HB PHE 29 1HB PHE 29 -6.772 17.614 7.175 210 2HB PHE 29 2HB PHE 29 -8.140 17.258 8.228 211 HD1 PHE 29 HD1 PHE 29 -5.009 16.066 6.926 212 HD2 PHE 29 HD2 PHE 29 -7.746 15.661 10.214 213 HE1 PHE 29 HE1 PHE 29 -3.990 13.882 7.506 214 HE2 PHE 29 HE2 PHE 29 -6.724 13.477 10.793 215 HZ PHE 29 HZ PHE 29 -4.847 12.587 9.438 216 H ASP 30 H ASP 30 -8.411 20.166 8.968 217 HA ASP 30 HA ASP 30 -7.103 21.829 6.930 218 1HB ASP 30 1HB ASP 30 -9.521 22.856 8.234 219 2HB ASP 30 2HB ASP 30 -9.726 21.252 7.545 220 H ALA 31 H ALA 31 -5.563 21.777 9.235 221 HA ALA 31 HA ALA 31 -6.099 23.875 11.111 222 1HB ALA 31 1HB ALA 31 -4.486 22.042 11.540 223 2HB ALA 31 2HB ALA 31 -3.746 23.627 11.764 224 3HB ALA 31 3HB ALA 31 -3.422 22.702 10.297 225 H ASP 32 H ASP 32 -4.898 23.959 7.846 226 HA ASP 32 HA ASP 32 -3.585 26.568 8.137 227 1HB ASP 32 1HB ASP 32 -3.532 26.420 5.589 228 2HB ASP 32 2HB ASP 32 -4.262 24.824 5.760 229 H GLY 33 H GLY 33 -6.787 25.373 7.332 230 1HA GLY 33 1HA GLY 33 -7.652 28.208 6.941 231 2HA GLY 33 2HA GLY 33 -8.680 26.927 7.583 232 H GLY 34 H GLY 34 -10.292 26.798 6.049 233 1HA GLY 34 1HA GLY 34 -9.454 26.069 3.277 234 2HA GLY 34 2HA GLY 34 -10.695 27.298 3.518 235 H GLY 35 H GLY 35 -11.678 25.352 2.085 236 1HA GLY 35 1HA GLY 35 -13.828 24.189 2.434 237 2HA GLY 35 2HA GLY 35 -13.226 23.653 4.001 238 H ASP 36 H ASP 36 -10.534 23.001 2.835 239 HA ASP 36 HA ASP 36 -11.147 20.275 2.015 240 1HB ASP 36 1HB ASP 36 -11.291 20.752 -0.205 241 2HB ASP 36 2HB ASP 36 -9.536 20.818 -0.117 242 H ILE 37 H ILE 37 -9.163 18.984 1.751 243 HA ILE 37 HA ILE 37 -6.928 20.138 3.368 244 HB ILE 37 HB ILE 37 -7.257 17.217 2.662 245 1HG1 ILE 37 1HG1 ILE 37 -8.454 16.937 4.822 246 2HG1 ILE 37 2HG1 ILE 37 -9.381 17.918 3.691 247 1HG2 ILE 37 1HG2 ILE 37 -5.137 17.711 3.622 248 2HG2 ILE 37 2HG2 ILE 37 -6.103 17.058 4.945 249 3HG2 ILE 37 3HG2 ILE 37 -5.844 18.799 4.817 250 1HD1 ILE 37 1HD1 ILE 37 -9.288 18.823 6.060 251 2HD1 ILE 37 2HD1 ILE 37 -8.749 19.951 4.817 252 3HD1 ILE 37 3HD1 ILE 37 -7.565 19.101 5.809 253 H SER 38 H SER 38 -4.690 19.480 2.667 254 HA SER 38 HA SER 38 -4.477 18.988 -0.268 255 1HB SER 38 1HB SER 38 -2.571 20.921 0.980 256 2HB SER 38 2HB SER 38 -4.203 21.494 0.646 257 HG SER 38 HG SER 38 -3.800 21.474 -1.401 258 H THR 39 H THR 39 -2.085 18.491 -0.828 259 HA THR 39 HA THR 39 -1.176 16.319 0.853 260 HB THR 39 HB THR 39 0.470 17.652 -1.304 261 HG1 THR 39 HG1 THR 39 -1.104 17.185 -2.596 262 1HG2 THR 39 1HG2 THR 39 1.334 15.397 -1.623 263 2HG2 THR 39 2HG2 THR 39 0.188 14.760 -0.444 264 3HG2 THR 39 3HG2 THR 39 1.483 15.839 0.078 265 H LYS 40 H LYS 40 -0.151 19.689 0.432 266 HA LYS 40 HA LYS 40 2.318 19.522 1.872 267 1HB LYS 40 1HB LYS 40 0.508 21.946 1.785 268 2HB LYS 40 2HB LYS 40 1.478 21.443 0.405 269 1HG LYS 40 1HG LYS 40 2.803 21.730 3.080 270 2HG LYS 40 2HG LYS 40 2.434 23.186 2.158 271 1HD LYS 40 1HD LYS 40 3.554 21.781 0.183 272 2HD LYS 40 2HD LYS 40 4.353 20.975 1.533 273 1HE LYS 40 1HE LYS 40 5.063 23.219 2.388 274 2HE LYS 40 2HE LYS 40 4.356 23.955 0.950 275 1HZ LYS 40 1HZ LYS 40 5.839 22.566 -0.404 276 2HZ LYS 40 2HZ LYS 40 6.564 21.969 1.012 277 3HZ LYS 40 3HZ LYS 40 6.694 23.616 0.617 278 H GLU 41 H GLU 41 -0.804 20.873 3.036 279 HA GLU 41 HA GLU 41 -0.009 20.972 5.779 280 1HB GLU 41 1HB GLU 41 -1.942 22.235 4.873 281 2HB GLU 41 2HB GLU 41 -2.376 21.291 6.296 282 1HG GLU 41 1HG GLU 41 -3.422 19.593 4.944 283 2HG GLU 41 2HG GLU 41 -2.795 20.308 3.459 284 H LEU 42 H LEU 42 -1.089 18.287 3.835 285 HA LEU 42 HA LEU 42 -2.168 16.572 5.824 286 1HB LEU 42 1HB LEU 42 -0.510 15.160 3.885 287 2HB LEU 42 2HB LEU 42 -1.519 16.378 3.116 288 HG LEU 42 HG LEU 42 -2.507 14.234 5.026 289 1HD1 LEU 42 1HD1 LEU 42 -3.654 16.665 4.558 290 2HD1 LEU 42 2HD1 LEU 42 -4.567 15.208 4.947 291 3HD1 LEU 42 3HD1 LEU 42 -4.377 15.706 3.266 292 1HD2 LEU 42 1HD2 LEU 42 -2.706 12.886 3.233 293 2HD2 LEU 42 2HD2 LEU 42 -1.850 14.089 2.270 294 3HD2 LEU 42 3HD2 LEU 42 -3.609 14.127 2.365 295 H GLY 43 H GLY 43 1.215 16.760 4.630 296 1HA GLY 43 1HA GLY 43 3.235 16.218 5.695 297 2HA GLY 43 2HA GLY 43 2.354 14.853 6.374 298 H THR 44 H THR 44 1.429 18.197 7.004 299 HA THR 44 HA THR 44 2.875 18.460 9.498 300 HB THR 44 HB THR 44 0.319 19.908 8.748 301 HG1 THR 44 HG1 THR 44 1.474 20.497 7.085 302 1HG2 THR 44 1HG2 THR 44 1.521 20.061 11.075 303 2HG2 THR 44 2HG2 THR 44 0.998 21.541 10.273 304 3HG2 THR 44 3HG2 THR 44 2.690 21.049 10.198 305 H VAL 45 H VAL 45 -0.484 17.527 8.702 306 HA VAL 45 HA VAL 45 -1.260 17.104 11.461 307 HB VAL 45 HB VAL 45 -2.525 15.899 8.976 308 1HG1 VAL 45 1HG1 VAL 45 -4.589 16.228 10.534 309 2HG1 VAL 45 2HG1 VAL 45 -3.397 16.331 11.829 310 3HG1 VAL 45 3HG1 VAL 45 -3.511 14.869 10.850 311 1HG2 VAL 45 1HG2 VAL 45 -2.191 18.467 9.007 312 2HG2 VAL 45 2HG2 VAL 45 -3.357 18.472 10.329 313 3HG2 VAL 45 3HG2 VAL 45 -3.827 17.869 8.740 314 H MET 46 H MET 46 0.257 15.053 9.002 315 HA MET 46 HA MET 46 -0.232 12.524 10.282 316 1HB MET 46 1HB MET 46 1.530 11.645 8.889 317 2HB MET 46 2HB MET 46 2.212 13.252 8.647 318 1HG MET 46 1HG MET 46 0.806 13.677 6.949 319 2HG MET 46 2HG MET 46 -0.595 13.175 7.893 320 1HE MET 46 1HE MET 46 -1.509 9.812 6.885 321 2HE MET 46 2HE MET 46 -1.910 11.400 7.534 322 3HE MET 46 3HE MET 46 -0.852 10.326 8.446 323 NH1 ARG 47 NH1 ARG 47 7.996 16.757 8.549 324 NH2 ARG 47 NH2 ARG 47 8.927 15.270 9.984 325 H ARG 47 H ARG 47 2.500 14.811 10.488 326 HA ARG 47 HA ARG 47 4.083 13.342 12.332 327 1HB ARG 47 1HB ARG 47 4.670 15.897 13.011 328 2HB ARG 47 2HB ARG 47 3.885 16.172 11.455 329 1HG ARG 47 1HG ARG 47 5.769 13.911 11.446 330 2HG ARG 47 2HG ARG 47 6.526 15.460 11.794 331 1HD ARG 47 1HD ARG 47 5.487 16.422 9.768 332 2HD ARG 47 2HD ARG 47 4.744 14.862 9.417 333 HE ARG 47 HE ARG 47 6.851 14.068 8.676 334 1HH1 ARG 47 1HH1 ARG 47 8.822 17.320 8.594 335 2HH1 ARG 47 2HH1 ARG 47 7.227 17.046 7.977 336 1HH2 ARG 47 1HH2 ARG 47 8.869 14.422 10.509 337 2HH2 ARG 47 2HH2 ARG 47 9.754 15.831 10.029 338 H MET 48 H MET 48 1.167 15.263 12.862 339 HA MET 48 HA MET 48 1.504 15.650 15.693 340 1HB MET 48 1HB MET 48 -0.339 16.495 13.833 341 2HB MET 48 2HB MET 48 -0.513 16.690 15.573 342 1HG MET 48 1HG MET 48 -1.776 14.584 15.703 343 2HG MET 48 2HG MET 48 -1.570 14.340 13.970 344 1HE MET 48 1HE MET 48 -3.772 13.792 14.264 345 2HE MET 48 2HE MET 48 -4.654 14.796 13.115 346 3HE MET 48 3HE MET 48 -5.113 14.806 14.816 347 H LEU 49 H LEU 49 0.193 12.982 13.763 348 HA LEU 49 HA LEU 49 -0.744 11.484 16.094 349 1HB LEU 49 1HB LEU 49 -0.237 10.465 13.282 350 2HB LEU 49 2HB LEU 49 -1.726 11.269 13.774 351 HG LEU 49 HG LEU 49 -1.165 9.248 15.709 352 1HD1 LEU 49 1HD1 LEU 49 -3.239 9.708 13.568 353 2HD1 LEU 49 2HD1 LEU 49 -3.405 9.864 15.317 354 3HD1 LEU 49 3HD1 LEU 49 -3.291 8.265 14.582 355 1HD2 LEU 49 1HD2 LEU 49 0.264 8.274 13.875 356 2HD2 LEU 49 2HD2 LEU 49 -1.180 8.183 12.867 357 3HD2 LEU 49 3HD2 LEU 49 -1.080 7.237 14.352 358 H GLY 50 H GLY 50 2.242 11.781 14.290 359 1HA GLY 50 1HA GLY 50 3.418 9.592 15.953 360 2HA GLY 50 2HA GLY 50 4.288 11.069 15.557 361 H GLN 51 H GLN 51 3.050 10.894 12.747 362 HA GLN 51 HA GLN 51 4.695 8.634 11.695 363 1HB GLN 51 1HB GLN 51 2.696 10.130 10.025 364 2HB GLN 51 2HB GLN 51 2.115 8.945 11.196 365 1HG GLN 51 1HG GLN 51 3.353 7.180 10.153 366 2HG GLN 51 2HG GLN 51 4.274 8.316 9.168 367 1HE2 GLN 51 1HE2 GLN 51 3.143 9.342 7.333 368 2HE2 GLN 51 2HE2 GLN 51 1.692 8.694 6.733 369 H ASN 52 H ASN 52 6.136 9.074 9.938 370 HA ASN 52 HA ASN 52 6.706 11.981 9.486 371 1HB ASN 52 1HB ASN 52 9.125 11.024 9.076 372 2HB ASN 52 2HB ASN 52 8.550 9.671 10.049 373 1HD2 ASN 52 1HD2 ASN 52 10.474 12.106 10.569 374 2HD2 ASN 52 2HD2 ASN 52 9.940 12.694 12.067 375 HA PRO 53 HA PRO 53 5.875 9.922 5.429 376 1HB PRO 53 1HB PRO 53 3.606 10.315 5.527 377 2HB PRO 53 2HB PRO 53 4.016 11.765 4.595 378 1HG PRO 53 1HG PRO 53 2.770 11.808 7.072 379 2HG PRO 53 2HG PRO 53 3.725 13.152 6.429 380 1HD PRO 53 1HD PRO 53 4.362 11.305 8.633 381 2HD PRO 53 2HD PRO 53 5.152 12.837 8.202 382 H THR 54 H THR 54 6.439 10.764 3.294 383 HA THR 54 HA THR 54 8.104 13.237 3.436 384 HB THR 54 HB THR 54 9.540 12.310 1.884 385 HG1 THR 54 HG1 THR 54 8.650 11.798 0.079 386 1HG2 THR 54 1HG2 THR 54 9.963 10.045 2.390 387 2HG2 THR 54 2HG2 THR 54 8.256 9.699 2.664 388 3HG2 THR 54 3HG2 THR 54 9.159 10.667 3.830 389 H LYS 55 H LYS 55 8.198 14.278 1.050 390 HA LYS 55 HA LYS 55 5.550 15.319 0.539 391 1HB LYS 55 1HB LYS 55 6.802 16.229 -1.588 392 2HB LYS 55 2HB LYS 55 8.243 15.616 -0.778 393 1HG LYS 55 1HG LYS 55 6.318 17.296 0.796 394 2HG LYS 55 2HG LYS 55 7.393 18.099 -0.350 395 1HD LYS 55 1HD LYS 55 9.327 16.926 0.743 396 2HD LYS 55 2HD LYS 55 8.207 16.300 1.954 397 1HE LYS 55 1HE LYS 55 8.770 18.205 3.083 398 2HE LYS 55 2HE LYS 55 7.583 18.954 2.016 399 1HZ LYS 55 1HZ LYS 55 9.359 19.486 0.468 400 2HZ LYS 55 2HZ LYS 55 10.503 18.761 1.495 401 3HZ LYS 55 3HZ LYS 55 9.674 20.159 1.993 402 H GLU 56 H GLU 56 7.717 13.185 -1.360 403 HA GLU 56 HA GLU 56 5.729 12.638 -3.386 404 1HB GLU 56 1HB GLU 56 8.112 12.384 -3.884 405 2HB GLU 56 2HB GLU 56 7.280 10.848 -4.118 406 1HG GLU 56 1HG GLU 56 7.967 10.459 -1.588 407 2HG GLU 56 2HG GLU 56 9.204 11.657 -1.961 408 H GLU 57 H GLU 57 6.454 11.186 -0.257 409 HA GLU 57 HA GLU 57 5.072 8.687 -0.744 410 1HB GLU 57 1HB GLU 57 5.085 9.688 2.032 411 2HB GLU 57 2HB GLU 57 6.677 9.645 1.276 412 1HG GLU 57 1HG GLU 57 4.776 7.294 1.170 413 2HG GLU 57 2HG GLU 57 5.937 7.507 2.481 414 H LEU 58 H LEU 58 4.149 11.729 0.873 415 HA LEU 58 HA LEU 58 1.420 10.920 1.360 416 1HB LEU 58 1HB LEU 58 1.436 13.701 1.285 417 2HB LEU 58 2HB LEU 58 3.082 13.287 1.762 418 HG LEU 58 HG LEU 58 2.075 11.722 3.479 419 1HD1 LEU 58 1HD1 LEU 58 1.252 13.694 4.944 420 2HD1 LEU 58 2HD1 LEU 58 1.649 14.706 3.555 421 3HD1 LEU 58 3HD1 LEU 58 2.908 13.754 4.342 422 1HD2 LEU 58 1HD2 LEU 58 -0.127 11.286 3.081 423 2HD2 LEU 58 2HD2 LEU 58 -0.363 12.792 2.197 424 3HD2 LEU 58 3HD2 LEU 58 -0.404 12.789 3.960 425 H ASP 59 H ASP 59 3.065 12.525 -1.301 426 HA ASP 59 HA ASP 59 0.800 13.535 -2.701 427 1HB ASP 59 1HB ASP 59 3.330 12.408 -3.943 428 2HB ASP 59 2HB ASP 59 3.214 14.024 -3.248 429 H ALA 60 H ALA 60 2.291 10.307 -2.649 430 HA ALA 60 HA ALA 60 0.599 9.208 -4.734 431 1HB ALA 60 1HB ALA 60 1.460 7.042 -4.024 432 2HB ALA 60 2HB ALA 60 2.040 7.732 -2.508 433 3HB ALA 60 3HB ALA 60 2.790 8.200 -4.034 434 H ILE 61 H ILE 61 0.429 9.432 -1.216 435 HA ILE 61 HA ILE 61 -1.830 7.753 -0.771 436 HB ILE 61 HB ILE 61 -0.638 10.125 0.672 437 1HG1 ILE 61 1HG1 ILE 61 0.303 7.706 0.657 438 2HG1 ILE 61 2HG1 ILE 61 -1.077 7.311 1.682 439 1HG2 ILE 61 1HG2 ILE 61 -2.274 9.481 2.558 440 2HG2 ILE 61 2HG2 ILE 61 -3.215 8.664 1.310 441 3HG2 ILE 61 3HG2 ILE 61 -2.946 10.403 1.213 442 1HD1 ILE 61 1HD1 ILE 61 -0.349 9.259 3.171 443 2HD1 ILE 61 2HD1 ILE 61 1.150 9.280 2.242 444 3HD1 ILE 61 3HD1 ILE 61 0.713 7.849 3.175 445 H ILE 62 H ILE 62 -1.547 11.119 -1.846 446 HA ILE 62 HA ILE 62 -4.387 11.713 -1.637 447 HB ILE 62 HB ILE 62 -2.279 13.065 -3.346 448 1HG1 ILE 62 1HG1 ILE 62 -1.462 14.130 -1.501 449 2HG1 ILE 62 2HG1 ILE 62 -2.124 12.752 -0.635 450 1HG2 ILE 62 1HG2 ILE 62 -4.236 14.033 -4.080 451 2HG2 ILE 62 2HG2 ILE 62 -3.959 15.039 -2.662 452 3HG2 ILE 62 3HG2 ILE 62 -5.098 13.695 -2.579 453 1HD1 ILE 62 1HD1 ILE 62 -4.257 14.031 -0.328 454 2HD1 ILE 62 2HD1 ILE 62 -3.472 15.432 -1.057 455 3HD1 ILE 62 3HD1 ILE 62 -2.871 14.780 0.467 456 H GLU 63 H GLU 63 -2.224 10.574 -4.221 457 HA GLU 63 HA GLU 63 -4.061 10.735 -6.396 458 1HB GLU 63 1HB GLU 63 -2.424 8.400 -6.685 459 2HB GLU 63 2HB GLU 63 -1.454 9.664 -5.928 460 1HG GLU 63 1HG GLU 63 -2.107 11.234 -7.718 461 2HG GLU 63 2HG GLU 63 -3.077 9.968 -8.474 462 H GLU 64 H GLU 64 -3.522 8.177 -3.972 463 HA GLU 64 HA GLU 64 -5.243 6.199 -5.094 464 1HB GLU 64 1HB GLU 64 -5.223 6.393 -2.143 465 2HB GLU 64 2HB GLU 64 -3.628 6.331 -2.888 466 1HG GLU 64 1HG GLU 64 -4.722 4.361 -4.291 467 2HG GLU 64 2HG GLU 64 -5.821 4.284 -2.912 468 H VAL 65 H VAL 65 -5.930 8.860 -2.817 469 HA VAL 65 HA VAL 65 -8.743 8.180 -2.549 470 HB VAL 65 HB VAL 65 -7.373 10.831 -1.979 471 1HG1 VAL 65 1HG1 VAL 65 -9.859 9.669 -0.706 472 2HG1 VAL 65 2HG1 VAL 65 -9.932 10.716 -2.122 473 3HG1 VAL 65 3HG1 VAL 65 -9.263 11.326 -0.609 474 1HG2 VAL 65 1HG2 VAL 65 -6.246 9.119 -0.705 475 2HG2 VAL 65 2HG2 VAL 65 -7.775 8.354 -0.276 476 3HG2 VAL 65 3HG2 VAL 65 -7.358 9.931 0.395 477 H ASP 66 H ASP 66 -6.875 10.322 -4.661 478 HA ASP 66 HA ASP 66 -9.162 11.672 -5.810 479 1HB ASP 66 1HB ASP 66 -7.406 12.183 -7.664 480 2HB ASP 66 2HB ASP 66 -6.256 11.417 -6.570 481 H GLU 67 H GLU 67 -10.305 9.467 -6.062 482 HA GLU 67 HA GLU 67 -9.533 7.642 -8.134 483 1HB GLU 67 1HB GLU 67 -12.430 8.139 -7.559 484 2HB GLU 67 2HB GLU 67 -11.420 7.523 -6.253 485 1HG GLU 67 1HG GLU 67 -11.308 6.230 -8.968 486 2HG GLU 67 2HG GLU 67 -12.619 5.827 -7.857 487 H ASP 68 H ASP 68 -11.405 10.651 -8.154 488 HA ASP 68 HA ASP 68 -12.122 10.392 -10.983 489 1HB ASP 68 1HB ASP 68 -13.576 11.614 -9.360 490 2HB ASP 68 2HB ASP 68 -13.099 12.619 -10.726 491 H GLY 69 H GLY 69 -9.581 11.945 -9.078 492 1HA GLY 69 1HA GLY 69 -8.225 12.683 -11.628 493 2HA GLY 69 2HA GLY 69 -7.405 12.389 -10.094 494 H SER 70 H SER 70 -8.537 13.955 -8.283 495 HA SER 70 HA SER 70 -8.981 16.657 -9.417 496 1HB SER 70 1HB SER 70 -9.108 16.920 -6.672 497 2HB SER 70 2HB SER 70 -9.671 15.270 -6.919 498 HG SER 70 HG SER 70 -11.356 16.833 -7.070 499 H GLY 71 H GLY 71 -7.139 15.560 -6.538 500 1HA GLY 71 1HA GLY 71 -5.077 17.601 -7.189 501 2HA GLY 71 2HA GLY 71 -4.560 15.931 -6.953 502 H THR 72 H THR 72 -6.967 17.932 -5.231 503 HA THR 72 HA THR 72 -5.387 17.564 -2.721 504 HB THR 72 HB THR 72 -6.594 19.544 -1.870 505 HG1 THR 72 HG1 THR 72 -7.668 19.846 -4.466 506 1HG2 THR 72 1HG2 THR 72 -4.470 19.805 -3.168 507 2HG2 THR 72 2HG2 THR 72 -5.527 21.212 -3.274 508 3HG2 THR 72 3HG2 THR 72 -5.436 20.076 -4.619 509 H ILE 73 H ILE 73 -7.010 17.615 -0.705 510 HA ILE 73 HA ILE 73 -9.061 15.535 -1.295 511 HB ILE 73 HB ILE 73 -8.309 16.384 1.484 512 1HG1 ILE 73 1HG1 ILE 73 -6.166 16.000 0.274 513 2HG1 ILE 73 2HG1 ILE 73 -6.753 14.420 -0.238 514 1HG2 ILE 73 1HG2 ILE 73 -10.184 14.806 1.069 515 2HG2 ILE 73 2HG2 ILE 73 -8.874 14.057 1.981 516 3HG2 ILE 73 3HG2 ILE 73 -9.059 13.714 0.260 517 1HD1 ILE 73 1HD1 ILE 73 -6.274 15.337 2.615 518 2HD1 ILE 73 2HD1 ILE 73 -5.329 14.145 1.723 519 3HD1 ILE 73 3HD1 ILE 73 -6.996 13.789 2.176 520 H ASP 74 H ASP 74 -11.194 15.917 -0.951 521 HA ASP 74 HA ASP 74 -11.997 18.677 -0.155 522 1HB ASP 74 1HB ASP 74 -14.175 18.058 -1.269 523 2HB ASP 74 2HB ASP 74 -13.432 16.537 -1.749 524 H PHE 75 H PHE 75 -14.365 18.596 0.844 525 HA PHE 75 HA PHE 75 -14.163 17.126 3.335 526 1HB PHE 75 1HB PHE 75 -16.571 18.576 2.184 527 2HB PHE 75 2HB PHE 75 -15.315 19.341 3.154 528 HD1 PHE 75 HD1 PHE 75 -18.524 18.402 3.462 529 HD2 PHE 75 HD2 PHE 75 -14.745 17.464 5.277 530 HE1 PHE 75 HE1 PHE 75 -19.690 17.688 5.529 531 HE2 PHE 75 HE2 PHE 75 -15.913 16.752 7.343 532 HZ PHE 75 HZ PHE 75 -18.386 16.863 7.469 533 H GLU 76 H GLU 76 -16.265 16.851 0.460 534 HA GLU 76 HA GLU 76 -17.635 14.487 1.393 535 1HB GLU 76 1HB GLU 76 -18.632 15.823 -0.381 536 2HB GLU 76 2HB GLU 76 -18.288 14.216 -1.017 537 1HG GLU 76 1HG GLU 76 -15.940 15.717 -1.456 538 2HG GLU 76 2HG GLU 76 -17.271 16.786 -1.896 539 H GLU 77 H GLU 77 -14.508 15.032 -0.044 540 HA GLU 77 HA GLU 77 -14.095 12.299 -0.984 541 1HB GLU 77 1HB GLU 77 -11.884 14.171 -0.122 542 2HB GLU 77 2HB GLU 77 -12.756 14.457 -1.629 543 1HG GLU 77 1HG GLU 77 -11.837 11.670 -1.203 544 2HG GLU 77 2HG GLU 77 -10.554 12.858 -1.429 545 H PHE 78 H PHE 78 -13.524 14.195 1.909 546 HA PHE 78 HA PHE 78 -12.136 12.220 3.451 547 1HB PHE 78 1HB PHE 78 -13.813 14.638 4.176 548 2HB PHE 78 2HB PHE 78 -12.058 14.550 4.083 549 HD1 PHE 78 HD1 PHE 78 -14.878 14.307 6.233 550 HD2 PHE 78 HD2 PHE 78 -10.900 12.789 5.658 551 HE1 PHE 78 HE1 PHE 78 -14.788 13.640 8.618 552 HE2 PHE 78 HE2 PHE 78 -10.813 12.122 8.045 553 HZ PHE 78 HZ PHE 78 -12.755 12.548 9.525 554 H LEU 79 H LEU 79 -15.567 12.913 2.854 555 HA LEU 79 HA LEU 79 -16.570 11.128 4.914 556 1HB LEU 79 1HB LEU 79 -18.731 11.346 3.754 557 2HB LEU 79 2HB LEU 79 -17.920 12.096 2.383 558 HG LEU 79 HG LEU 79 -17.107 13.896 3.971 559 1HD1 LEU 79 1HD1 LEU 79 -20.116 13.760 4.013 560 2HD1 LEU 79 2HD1 LEU 79 -19.249 13.929 2.487 561 3HD1 LEU 79 3HD1 LEU 79 -19.075 15.158 3.739 562 1HD2 LEU 79 1HD2 LEU 79 -17.385 12.612 6.064 563 2HD2 LEU 79 2HD2 LEU 79 -19.130 12.578 5.814 564 3HD2 LEU 79 3HD2 LEU 79 -18.312 14.110 6.121 565 H VAL 80 H VAL 80 -15.992 10.774 1.396 566 HA VAL 80 HA VAL 80 -16.941 8.094 1.174 567 HB VAL 80 HB VAL 80 -14.953 9.722 -0.439 568 1HG1 VAL 80 1HG1 VAL 80 -14.518 7.356 -0.774 569 2HG1 VAL 80 2HG1 VAL 80 -15.315 8.026 -2.198 570 3HG1 VAL 80 3HG1 VAL 80 -16.235 7.057 -1.046 571 1HG2 VAL 80 1HG2 VAL 80 -17.594 10.169 -0.195 572 2HG2 VAL 80 2HG2 VAL 80 -17.651 8.911 -1.430 573 3HG2 VAL 80 3HG2 VAL 80 -16.746 10.395 -1.725 574 H MET 81 H MET 81 -13.780 9.505 1.964 575 HA MET 81 HA MET 81 -12.354 6.980 2.003 576 1HB MET 81 1HB MET 81 -11.567 9.579 1.985 577 2HB MET 81 2HB MET 81 -10.514 8.260 2.469 578 1HG MET 81 1HG MET 81 -11.413 8.663 4.857 579 2HG MET 81 2HG MET 81 -12.024 10.189 4.227 580 1HE MET 81 1HE MET 81 -9.892 12.405 3.495 581 2HE MET 81 2HE MET 81 -10.693 11.255 2.427 582 3HE MET 81 3HE MET 81 -8.942 11.431 2.365 583 H MET 82 H MET 82 -14.014 8.981 4.400 584 HA MET 82 HA MET 82 -13.378 7.353 6.698 585 1HB MET 82 1HB MET 82 -15.894 9.003 6.297 586 2HB MET 82 2HB MET 82 -14.340 9.710 6.745 587 1HG MET 82 1HG MET 82 -15.257 7.391 8.371 588 2HG MET 82 2HG MET 82 -16.156 8.894 8.572 589 1HE MET 82 1HE MET 82 -14.254 8.700 11.623 590 2HE MET 82 2HE MET 82 -13.350 7.393 10.862 591 3HE MET 82 3HE MET 82 -15.088 7.520 10.603 592 H VAL 83 H VAL 83 -15.738 7.133 4.120 593 HA VAL 83 HA VAL 83 -17.566 5.279 5.280 594 HB VAL 83 HB VAL 83 -17.227 6.602 2.808 595 1HG1 VAL 83 1HG1 VAL 83 -17.543 4.875 1.124 596 2HG1 VAL 83 2HG1 VAL 83 -17.494 3.609 2.351 597 3HG1 VAL 83 3HG1 VAL 83 -16.043 4.545 1.989 598 1HG2 VAL 83 1HG2 VAL 83 -19.278 4.800 4.061 599 2HG2 VAL 83 2HG2 VAL 83 -19.509 5.346 2.401 600 3HG2 VAL 83 3HG2 VAL 83 -19.372 6.524 3.705 601 NH1 ARG 84 NH1 ARG 84 -10.618 5.874 -0.422 602 NH2 ARG 84 NH2 ARG 84 -10.082 4.012 -1.604 603 H ARG 84 H ARG 84 -14.398 4.834 3.794 604 HA ARG 84 HA ARG 84 -14.659 1.873 4.159 605 1HB ARG 84 1HB ARG 84 -14.136 2.542 1.861 606 2HB ARG 84 2HB ARG 84 -12.756 1.712 2.578 607 1HG ARG 84 1HG ARG 84 -12.074 4.193 3.267 608 2HG ARG 84 2HG ARG 84 -13.087 4.607 1.883 609 1HD ARG 84 1HD ARG 84 -11.226 2.374 1.389 610 2HD ARG 84 2HD ARG 84 -10.430 3.912 1.724 611 HE ARG 84 HE ARG 84 -12.539 3.703 -0.387 612 1HH1 ARG 84 1HH1 ARG 84 -9.408 4.536 -2.126 613 2HH1 ARG 84 2HH1 ARG 84 -10.215 3.039 -1.794 614 1HH2 ARG 84 1HH2 ARG 84 -11.161 6.321 0.290 615 2HH2 ARG 84 2HH2 ARG 84 -9.946 6.400 -0.941 616 H GLN 85 H GLN 85 -14.019 3.928 6.205 617 HA GLN 85 HA GLN 85 -11.359 2.902 7.074 618 1HB GLN 85 1HB GLN 85 -11.541 5.253 8.419 619 2HB GLN 85 2HB GLN 85 -12.416 5.673 6.946 620 1HG GLN 85 1HG GLN 85 -10.552 5.269 5.578 621 2HG GLN 85 2HG GLN 85 -9.772 4.239 6.778 622 1HE2 GLN 85 1HE2 GLN 85 -10.150 7.526 5.670 623 2HE2 GLN 85 2HE2 GLN 85 -9.145 8.247 6.830 624 H MET 86 H MET 86 -14.711 3.475 7.851 625 HA MET 86 HA MET 86 -14.678 3.427 10.681 626 1HB MET 86 1HB MET 86 -16.732 1.888 9.095 627 2HB MET 86 2HB MET 86 -16.679 3.649 9.010 628 1HG MET 86 1HG MET 86 -16.767 3.673 11.542 629 2HG MET 86 2HG MET 86 -17.078 1.939 11.480 630 1HE MET 86 1HE MET 86 -19.040 1.066 9.554 631 2HE MET 86 2HE MET 86 -20.540 1.438 10.399 632 3HE MET 86 3HE MET 86 -19.131 0.910 11.314 633 H LYS 87 H LYS 87 -13.952 0.933 8.356 634 HA LYS 87 HA LYS 87 -14.223 -1.294 10.236 635 1HB LYS 87 1HB LYS 87 -14.484 -1.882 7.927 636 2HB LYS 87 2HB LYS 87 -12.933 -2.554 8.424 637 1HG LYS 87 1HG LYS 87 -12.076 -0.153 7.574 638 2HG LYS 87 2HG LYS 87 -13.519 -0.293 6.569 639 1HD LYS 87 1HD LYS 87 -12.432 -2.803 6.329 640 2HD LYS 87 2HD LYS 87 -10.986 -1.803 6.453 641 1HE LYS 87 1HE LYS 87 -11.306 -0.908 4.397 642 2HE LYS 87 2HE LYS 87 -13.026 -0.651 4.687 643 1HZ LYS 87 1HZ LYS 87 -13.414 -2.997 4.247 644 2HZ LYS 87 2HZ LYS 87 -11.756 -3.237 3.959 645 3HZ LYS 87 3HZ LYS 87 -12.668 -2.251 2.919 646 H GLU 88 H GLU 88 -12.953 -0.255 11.934 647 HA GLU 88 HA GLU 88 -10.374 0.688 11.949 648 1HB GLU 88 1HB GLU 88 -11.220 -1.294 14.048 649 2HB GLU 88 2HB GLU 88 -12.000 0.282 13.918 650 1HG GLU 88 1HG GLU 88 -9.612 1.263 13.957 651 2HG GLU 88 2HG GLU 88 -9.098 -0.333 14.504 652 H ASP 89 H ASP 89 -11.235 -2.753 11.654 653 HA ASP 89 HA ASP 89 -8.658 -3.842 12.145 654 1HB ASP 89 1HB ASP 89 -10.936 -4.806 10.391 655 2HB ASP 89 2HB ASP 89 -10.523 -5.342 12.015 656 H ALA 90 H ALA 90 -10.022 -3.622 8.820 657 HA ALA 90 HA ALA 90 -7.319 -3.415 7.717 658 1HB ALA 90 1HB ALA 90 -10.096 -3.558 6.576 659 2HB ALA 90 2HB ALA 90 -8.718 -4.621 6.291 660 3HB ALA 90 3HB ALA 90 -8.765 -3.021 5.548 661 H LYS 91 H LYS 91 -6.864 -1.340 8.982 662 HA LYS 91 HA LYS 91 -8.265 1.090 8.226 663 1HB LYS 91 1HB LYS 91 -5.463 1.142 9.294 664 2HB LYS 91 2HB LYS 91 -6.747 0.527 10.336 665 1HG LYS 91 1HG LYS 91 -8.021 2.614 9.996 666 2HG LYS 91 2HG LYS 91 -6.746 3.224 8.942 667 1HD LYS 91 1HD LYS 91 -5.141 3.099 10.813 668 2HD LYS 91 2HD LYS 91 -6.413 2.477 11.866 669 1HE LYS 91 1HE LYS 91 -7.690 4.659 11.087 670 2HE LYS 91 2HE LYS 91 -6.061 5.235 10.734 671 1HZ LYS 91 1HZ LYS 91 -6.739 5.805 12.982 672 2HZ LYS 91 2HZ LYS 91 -5.420 4.734 13.005 673 3HZ LYS 91 3HZ LYS 91 -6.985 4.166 13.347 674 H GLY 92 H GLY 92 -5.245 -0.494 7.256 675 1HA GLY 92 1HA GLY 92 -4.726 1.604 5.221 676 2HA GLY 92 2HA GLY 92 -5.003 -0.040 4.638 677 H LYS 93 H LYS 93 -3.543 0.287 7.741 678 HA LYS 93 HA LYS 93 -0.781 0.430 6.955 679 1HB LYS 93 1HB LYS 93 -1.361 -1.002 9.460 680 2HB LYS 93 2HB LYS 93 -2.138 0.575 9.362 681 1HG LYS 93 1HG LYS 93 -0.005 1.594 8.751 682 2HG LYS 93 2HG LYS 93 0.802 0.033 8.909 683 1HD LYS 93 1HD LYS 93 0.001 -0.046 11.299 684 2HD LYS 93 2HD LYS 93 -0.599 1.601 11.099 685 1HE LYS 93 1HE LYS 93 1.828 2.126 10.288 686 2HE LYS 93 2HE LYS 93 2.248 0.611 11.087 687 1HZ LYS 93 1HZ LYS 93 1.211 1.474 13.120 688 2HZ LYS 93 2HZ LYS 93 0.920 2.956 12.338 689 3HZ LYS 93 3HZ LYS 93 2.514 2.432 12.610 690 H SER 94 H SER 94 -2.952 -2.288 7.765 691 HA SER 94 HA SER 94 -0.988 -4.358 7.515 692 1HB SER 94 1HB SER 94 -2.923 -5.880 7.316 693 2HB SER 94 2HB SER 94 -3.985 -4.497 7.080 694 HG SER 94 HG SER 94 -2.574 -5.268 9.382 695 H GLU 95 H GLU 95 -2.985 -2.691 5.109 696 HA GLU 95 HA GLU 95 -2.698 -4.511 2.943 697 1HB GLU 95 1HB GLU 95 -2.852 -2.336 1.533 698 2HB GLU 95 2HB GLU 95 -3.038 -1.515 3.082 699 1HG GLU 95 1HG GLU 95 -4.964 -2.980 3.613 700 2HG GLU 95 2HG GLU 95 -4.781 -3.776 2.049 701 H GLU 96 H GLU 96 -0.636 -1.718 3.840 702 HA GLU 96 HA GLU 96 1.351 -2.258 1.807 703 1HB GLU 96 1HB GLU 96 2.755 -0.661 3.112 704 2HB GLU 96 2HB GLU 96 1.527 -0.654 4.378 705 1HG GLU 96 1HG GLU 96 -0.070 0.394 2.973 706 2HG GLU 96 2HG GLU 96 0.838 0.004 1.510 707 H GLU 97 H GLU 97 0.898 -3.272 5.162 708 HA GLU 97 HA GLU 97 3.487 -4.331 5.684 709 1HB GLU 97 1HB GLU 97 1.129 -5.828 6.722 710 2HB GLU 97 2HB GLU 97 1.227 -4.120 7.149 711 1HG GLU 97 1HG GLU 97 3.554 -4.503 7.971 712 2HG GLU 97 2HG GLU 97 3.362 -6.223 7.627 713 H LEU 98 H LEU 98 0.611 -5.861 4.202 714 HA LEU 98 HA LEU 98 1.885 -8.427 3.808 715 1HB LEU 98 1HB LEU 98 -0.044 -8.496 1.949 716 2HB LEU 98 2HB LEU 98 -0.634 -7.121 2.873 717 HG LEU 98 HG LEU 98 0.141 -9.744 4.169 718 1HD1 LEU 98 1HD1 LEU 98 -1.587 -7.419 5.075 719 2HD1 LEU 98 2HD1 LEU 98 0.048 -7.762 5.639 720 3HD1 LEU 98 3HD1 LEU 98 -1.264 -8.880 6.008 721 1HD2 LEU 98 1HD2 LEU 98 -2.579 -9.694 4.274 722 2HD2 LEU 98 2HD2 LEU 98 -1.671 -10.562 3.039 723 3HD2 LEU 98 3HD2 LEU 98 -2.309 -8.954 2.697 724 H ALA 99 H ALA 99 1.657 -5.471 1.856 725 HA ALA 99 HA ALA 99 2.612 -6.591 -0.608 726 1HB ALA 99 1HB ALA 99 2.691 -3.793 0.536 727 2HB ALA 99 2HB ALA 99 1.618 -4.426 -0.714 728 3HB ALA 99 3HB ALA 99 3.328 -4.175 -1.063 729 H ASN 100 H ASN 100 4.300 -5.319 2.241 730 HA ASN 100 HA ASN 100 6.939 -5.365 1.057 731 1HB ASN 100 1HB ASN 100 7.545 -5.496 3.639 732 2HB ASN 100 2HB ASN 100 5.836 -5.112 3.836 733 1HD2 ASN 100 1HD2 ASN 100 5.072 -3.089 2.599 734 2HD2 ASN 100 2HD2 ASN 100 6.180 -1.817 2.406 735 H CYS 101 H CYS 101 5.317 -7.559 3.398 736 HA CYS 101 HA CYS 101 7.355 -9.565 3.392 737 1HB CYS 101 1HB CYS 101 5.302 -11.084 4.009 738 2HB CYS 101 2HB CYS 101 4.421 -9.558 4.062 739 HG CYS 101 HG CYS 101 5.916 -10.453 6.341 740 H PHE 102 H PHE 102 4.562 -9.014 1.288 741 HA PHE 102 HA PHE 102 4.585 -11.468 -0.148 742 1HB PHE 102 1HB PHE 102 3.911 -8.684 -1.160 743 2HB PHE 102 2HB PHE 102 2.791 -9.759 -0.329 744 HD1 PHE 102 HD1 PHE 102 4.432 -8.975 -3.479 745 HD2 PHE 102 HD2 PHE 102 2.128 -11.936 -1.392 746 HE1 PHE 102 HE1 PHE 102 3.876 -10.063 -5.633 747 HE2 PHE 102 HE2 PHE 102 1.574 -13.026 -3.547 748 HZ PHE 102 HZ PHE 102 2.446 -12.095 -5.668 749 NH1 ARG 103 NH1 ARG 103 7.532 -2.446 -4.083 750 NH2 ARG 103 NH2 ARG 103 9.626 -3.313 -4.193 751 H ARG 103 H ARG 103 6.240 -8.369 -0.876 752 HA ARG 103 HA ARG 103 7.662 -9.392 -3.169 753 1HB ARG 103 1HB ARG 103 9.134 -7.347 -2.779 754 2HB ARG 103 2HB ARG 103 8.131 -7.003 -1.368 755 1HG ARG 103 1HG ARG 103 6.124 -7.181 -2.980 756 2HG ARG 103 2HG ARG 103 7.315 -7.077 -4.277 757 1HD ARG 103 1HD ARG 103 7.706 -5.054 -2.183 758 2HD ARG 103 2HD ARG 103 6.148 -4.916 -2.998 759 HE ARG 103 HE ARG 103 7.892 -5.186 -5.102 760 1HH1 ARG 103 1HH1 ARG 103 7.914 -1.523 -4.022 761 2HH1 ARG 103 2HH1 ARG 103 6.538 -2.576 -4.074 762 1HH2 ARG 103 1HH2 ARG 103 10.233 -4.105 -4.267 763 2HH2 ARG 103 2HH2 ARG 103 10.012 -2.392 -4.133 764 H ILE 104 H ILE 104 8.504 -9.176 0.289 765 HA ILE 104 HA ILE 104 11.252 -9.959 -0.008 766 HB ILE 104 HB ILE 104 9.344 -10.307 2.332 767 1HG1 ILE 104 1HG1 ILE 104 10.036 -7.961 1.385 768 2HG1 ILE 104 2HG1 ILE 104 11.596 -8.318 2.125 769 1HG2 ILE 104 1HG2 ILE 104 11.080 -11.832 2.793 770 2HG2 ILE 104 2HG2 ILE 104 11.624 -10.355 3.589 771 3HG2 ILE 104 3HG2 ILE 104 12.301 -10.815 2.027 772 1HD1 ILE 104 1HD1 ILE 104 10.312 -8.833 4.269 773 2HD1 ILE 104 2HD1 ILE 104 8.898 -8.129 3.486 774 3HD1 ILE 104 3HD1 ILE 104 10.327 -7.138 3.781 775 H PHE 105 H PHE 105 8.290 -11.778 -0.240 776 HA PHE 105 HA PHE 105 9.604 -14.351 0.301 777 1HB PHE 105 1HB PHE 105 7.231 -15.117 -0.629 778 2HB PHE 105 2HB PHE 105 6.816 -13.443 -0.264 779 HD1 PHE 105 HD1 PHE 105 6.409 -16.492 1.059 780 HD2 PHE 105 HD2 PHE 105 8.320 -12.794 2.122 781 HE1 PHE 105 HE1 PHE 105 6.209 -17.077 3.460 782 HE2 PHE 105 HE2 PHE 105 8.120 -13.380 4.521 783 HZ PHE 105 HZ PHE 105 7.064 -15.522 5.190 784 H ASP 106 H ASP 106 8.559 -12.493 -2.581 785 HA ASP 106 HA ASP 106 9.240 -14.811 -4.288 786 1HB ASP 106 1HB ASP 106 7.480 -13.722 -5.329 787 2HB ASP 106 2HB ASP 106 8.845 -13.008 -6.173 788 H LYS 107 H LYS 107 11.444 -15.069 -3.824 789 HA LYS 107 HA LYS 107 13.389 -12.942 -4.080 790 1HB LYS 107 1HB LYS 107 15.051 -14.798 -4.048 791 2HB LYS 107 2HB LYS 107 13.723 -15.956 -4.172 792 1HG LYS 107 1HG LYS 107 12.774 -15.097 -2.074 793 2HG LYS 107 2HG LYS 107 14.086 -13.923 -1.949 794 1HD LYS 107 1HD LYS 107 15.718 -15.816 -1.908 795 2HD LYS 107 2HD LYS 107 14.364 -16.946 -1.915 796 1HE LYS 107 1HE LYS 107 14.926 -16.724 0.374 797 2HE LYS 107 2HE LYS 107 13.531 -15.666 0.170 798 1HZ LYS 107 1HZ LYS 107 15.438 -14.674 1.408 799 2HZ LYS 107 2HZ LYS 107 14.927 -13.775 0.060 800 3HZ LYS 107 3HZ LYS 107 16.336 -14.720 -0.030 801 H ASN 108 H ASN 108 11.621 -14.650 -6.426 802 HA ASN 108 HA ASN 108 13.716 -14.572 -8.490 803 1HB ASN 108 1HB ASN 108 10.792 -15.091 -9.014 804 2HB ASN 108 2HB ASN 108 11.801 -16.327 -8.262 805 1HD2 ASN 108 1HD2 ASN 108 10.701 -15.336 -11.255 806 2HD2 ASN 108 2HD2 ASN 108 11.964 -15.928 -12.223 807 H ALA 109 H ALA 109 11.247 -12.481 -7.259 808 HA ALA 109 HA ALA 109 10.551 -10.351 -7.899 809 1HB ALA 109 1HB ALA 109 13.139 -10.212 -8.146 810 2HB ALA 109 2HB ALA 109 12.152 -8.963 -8.907 811 3HB ALA 109 3HB ALA 109 12.818 -10.275 -9.879 812 H ASP 110 H ASP 110 9.209 -12.432 -9.146 813 HA ASP 110 HA ASP 110 8.971 -11.587 -11.999 814 1HB ASP 110 1HB ASP 110 7.354 -13.883 -11.151 815 2HB ASP 110 2HB ASP 110 9.078 -14.121 -10.868 816 H GLY 111 H GLY 111 7.282 -11.674 -8.928 817 1HA GLY 111 1HA GLY 111 4.794 -10.673 -10.235 818 2HA GLY 111 2HA GLY 111 5.522 -9.772 -8.909 819 H PHE 112 H PHE 112 5.424 -13.312 -9.109 820 HA PHE 112 HA PHE 112 3.610 -13.287 -6.726 821 1HB PHE 112 1HB PHE 112 2.528 -15.291 -7.525 822 2HB PHE 112 2HB PHE 112 3.673 -15.444 -8.854 823 HD1 PHE 112 HD1 PHE 112 2.550 -15.058 -10.874 824 HD2 PHE 112 HD2 PHE 112 1.740 -12.514 -7.507 825 HE1 PHE 112 HE1 PHE 112 1.091 -13.637 -12.291 826 HE2 PHE 112 HE2 PHE 112 0.284 -11.097 -8.924 827 HZ PHE 112 HZ PHE 112 -0.040 -11.656 -11.317 828 H ILE 113 H ILE 113 3.878 -15.234 -5.338 829 HA ILE 113 HA ILE 113 6.760 -15.939 -5.130 830 HB ILE 113 HB ILE 113 4.421 -16.297 -3.225 831 1HG1 ILE 113 1HG1 ILE 113 6.712 -14.369 -3.499 832 2HG1 ILE 113 2HG1 ILE 113 6.135 -14.773 -1.885 833 1HG2 ILE 113 1HG2 ILE 113 6.290 -16.937 -1.593 834 2HG2 ILE 113 2HG2 ILE 113 7.317 -17.164 -3.009 835 3HG2 ILE 113 3HG2 ILE 113 5.871 -18.152 -2.800 836 1HD1 ILE 113 1HD1 ILE 113 4.766 -13.287 -4.071 837 2HD1 ILE 113 2HD1 ILE 113 4.717 -13.022 -2.328 838 3HD1 ILE 113 3HD1 ILE 113 3.766 -14.320 -3.049 839 H ASP 114 H ASP 114 7.483 -18.118 -5.106 840 HA ASP 114 HA ASP 114 5.634 -20.034 -6.437 841 1HB ASP 114 1HB ASP 114 7.551 -21.230 -7.139 842 2HB ASP 114 2HB ASP 114 8.564 -20.500 -5.898 843 H ILE 115 H ILE 115 5.396 -22.188 -5.625 844 HA ILE 115 HA ILE 115 5.051 -22.401 -2.797 845 HB ILE 115 HB ILE 115 3.803 -23.784 -4.418 846 1HG1 ILE 115 1HG1 ILE 115 3.905 -24.637 -2.182 847 2HG1 ILE 115 2HG1 ILE 115 5.536 -25.259 -2.421 848 1HG2 ILE 115 1HG2 ILE 115 5.871 -24.100 -5.921 849 2HG2 ILE 115 2HG2 ILE 115 4.804 -25.489 -5.728 850 3HG2 ILE 115 3HG2 ILE 115 6.317 -25.408 -4.826 851 1HD1 ILE 115 1HD1 ILE 115 4.767 -26.951 -3.922 852 2HD1 ILE 115 2HD1 ILE 115 3.174 -26.205 -4.057 853 3HD1 ILE 115 3HD1 ILE 115 3.659 -26.983 -2.550 854 H GLU 116 H GLU 116 7.604 -23.554 -4.971 855 HA GLU 116 HA GLU 116 9.170 -24.895 -2.968 856 1HB GLU 116 1HB GLU 116 9.531 -25.283 -5.372 857 2HB GLU 116 2HB GLU 116 11.024 -24.746 -4.603 858 1HG GLU 116 1HG GLU 116 10.528 -22.416 -5.375 859 2HG GLU 116 2HG GLU 116 9.110 -23.031 -6.224 860 H GLU 117 H GLU 117 9.010 -21.531 -4.043 861 HA GLU 117 HA GLU 117 11.366 -20.592 -2.695 862 1HB GLU 117 1HB GLU 117 9.554 -18.462 -2.706 863 2HB GLU 117 2HB GLU 117 9.073 -19.434 -4.096 864 1HG GLU 117 1HG GLU 117 10.757 -17.813 -4.798 865 2HG GLU 117 2HG GLU 117 11.455 -19.432 -4.863 866 H LEU 118 H LEU 118 7.968 -20.921 -1.682 867 HA LEU 118 HA LEU 118 8.226 -19.605 0.855 868 1HB LEU 118 1HB LEU 118 6.320 -21.864 0.199 869 2HB LEU 118 2HB LEU 118 6.077 -20.210 -0.360 870 HG LEU 118 HG LEU 118 6.626 -20.598 2.549 871 1HD1 LEU 118 1HD1 LEU 118 4.765 -18.843 0.914 872 2HD1 LEU 118 2HD1 LEU 118 6.300 -18.357 1.633 873 3HD1 LEU 118 3HD1 LEU 118 4.931 -18.766 2.669 874 1HD2 LEU 118 1HD2 LEU 118 4.193 -21.051 2.935 875 2HD2 LEU 118 2HD2 LEU 118 5.018 -22.386 2.131 876 3HD2 LEU 118 3HD2 LEU 118 3.996 -21.292 1.199 877 H GLY 119 H GLY 119 8.922 -22.926 -0.158 878 1HA GLY 119 1HA GLY 119 9.964 -24.683 0.986 879 2HA GLY 119 2HA GLY 119 8.988 -24.200 2.367 880 H GLU 120 H GLU 120 11.843 -22.894 0.603 881 HA GLU 120 HA GLU 120 13.604 -23.137 2.851 882 1HB GLU 120 1HB GLU 120 14.929 -21.319 1.536 883 2HB GLU 120 2HB GLU 120 13.701 -21.561 0.289 884 1HG GLU 120 1HG GLU 120 14.244 -23.913 0.123 885 2HG GLU 120 2HG GLU 120 15.307 -23.818 1.527 886 H ILE 121 H ILE 121 11.507 -20.472 1.757 887 HA ILE 121 HA ILE 121 12.519 -18.450 3.497 888 HB ILE 121 HB ILE 121 9.738 -18.908 2.373 889 1HG1 ILE 121 1HG1 ILE 121 11.761 -18.353 0.873 890 2HG1 ILE 121 2HG1 ILE 121 11.760 -16.774 1.658 891 1HG2 ILE 121 1HG2 ILE 121 9.325 -17.557 4.270 892 2HG2 ILE 121 2HG2 ILE 121 9.514 -16.393 2.960 893 3HG2 ILE 121 3HG2 ILE 121 10.842 -16.678 4.084 894 1HD1 ILE 121 1HD1 ILE 121 9.308 -17.962 0.335 895 2HD1 ILE 121 2HD1 ILE 121 10.439 -16.905 -0.509 896 3HD1 ILE 121 3HD1 ILE 121 9.537 -16.300 0.880 897 H LEU 122 H LEU 122 10.016 -20.952 4.031 898 HA LEU 122 HA LEU 122 9.361 -20.066 6.703 899 1HB LEU 122 1HB LEU 122 8.576 -22.608 6.807 900 2HB LEU 122 2HB LEU 122 8.823 -22.513 5.062 901 HG LEU 122 HG LEU 122 7.473 -20.216 5.406 902 1HD1 LEU 122 1HD1 LEU 122 6.946 -22.373 4.049 903 2HD1 LEU 122 2HD1 LEU 122 5.604 -21.319 4.497 904 3HD1 LEU 122 3HD1 LEU 122 5.912 -22.792 5.416 905 1HD2 LEU 122 1HD2 LEU 122 6.659 -22.027 7.691 906 2HD2 LEU 122 2HD2 LEU 122 5.605 -20.759 7.063 907 3HD2 LEU 122 3HD2 LEU 122 7.162 -20.339 7.776 908 NH1 ARG 123 NH1 ARG 123 13.333 -29.551 6.172 909 NH2 ARG 123 NH2 ARG 123 12.220 -28.614 7.911 910 H ARG 123 H ARG 123 11.658 -22.476 5.419 911 HA ARG 123 HA ARG 123 12.468 -23.446 8.026 912 1HB ARG 123 1HB ARG 123 14.584 -24.111 6.553 913 2HB ARG 123 2HB ARG 123 13.498 -23.704 5.227 914 1HG ARG 123 1HG ARG 123 11.920 -25.358 5.871 915 2HG ARG 123 2HG ARG 123 12.640 -25.539 7.470 916 1HD ARG 123 1HD ARG 123 14.704 -26.072 5.600 917 2HD ARG 123 2HD ARG 123 13.281 -26.942 5.028 918 HE ARG 123 HE ARG 123 14.673 -27.407 7.602 919 1HH1 ARG 123 1HH1 ARG 123 12.733 -30.350 6.218 920 2HH1 ARG 123 2HH1 ARG 123 14.058 -29.510 5.485 921 1HH2 ARG 123 1HH2 ARG 123 12.095 -27.858 8.554 922 2HH2 ARG 123 2HH2 ARG 123 11.619 -29.413 7.959 923 H ALA 124 H ALA 124 13.625 -20.859 5.886 924 HA ALA 124 HA ALA 124 16.074 -20.275 7.222 925 1HB ALA 124 1HB ALA 124 15.840 -18.018 6.183 926 2HB ALA 124 2HB ALA 124 14.196 -18.441 5.707 927 3HB ALA 124 3HB ALA 124 15.565 -19.330 5.037 928 H THR 125 H THR 125 12.770 -19.563 8.169 929 HA THR 125 HA THR 125 13.288 -17.323 9.876 930 HB THR 125 HB THR 125 11.146 -17.813 10.918 931 HG1 THR 125 HG1 THR 125 10.322 -19.764 10.932 932 1HG2 THR 125 1HG2 THR 125 11.305 -17.021 8.471 933 2HG2 THR 125 2HG2 THR 125 9.760 -17.685 9.003 934 3HG2 THR 125 3HG2 THR 125 10.859 -18.672 8.040 935 H GLY 126 H GLY 126 13.507 -20.825 10.450 936 1HA GLY 126 1HA GLY 126 14.828 -20.193 13.060 937 2HA GLY 126 2HA GLY 126 15.232 -21.590 12.063 938 H GLU 127 H GLU 127 11.877 -20.645 12.486 939 HA GLU 127 HA GLU 127 11.263 -22.210 14.802 940 1HB GLU 127 1HB GLU 127 8.948 -22.273 13.304 941 2HB GLU 127 2HB GLU 127 9.766 -20.847 12.666 942 1HG GLU 127 1HG GLU 127 8.667 -19.899 14.470 943 2HG GLU 127 2HG GLU 127 10.178 -20.362 15.252 944 H HIS 128 H HIS 128 10.322 -24.321 14.952 945 HA HIS 128 HA HIS 128 11.289 -26.174 12.870 946 1HB HIS 128 1HB HIS 128 9.768 -27.202 15.213 947 2HB HIS 128 2HB HIS 128 11.283 -26.376 15.569 948 HD1 HIS 128 HD1 HIS 128 13.261 -27.232 13.641 949 HD2 HIS 128 HD2 HIS 128 10.272 -29.880 14.842 950 HE1 HIS 128 HE1 HIS 128 14.109 -29.559 13.111 951 H VAL 129 H VAL 129 9.712 -25.459 11.229 952 HA VAL 129 HA VAL 129 6.883 -26.187 11.752 953 HB VAL 129 HB VAL 129 7.346 -24.053 10.609 954 1HG1 VAL 129 1HG1 VAL 129 8.162 -24.176 8.214 955 2HG1 VAL 129 2HG1 VAL 129 8.630 -25.845 8.536 956 3HG1 VAL 129 3HG1 VAL 129 9.387 -24.529 9.432 957 1HG2 VAL 129 1HG2 VAL 129 5.280 -25.445 10.115 958 2HG2 VAL 129 2HG2 VAL 129 6.098 -25.989 8.651 959 3HG2 VAL 129 3HG2 VAL 129 5.719 -24.280 8.867 960 H ILE 130 H ILE 130 5.752 -27.563 10.185 961 HA ILE 130 HA ILE 130 7.529 -29.752 9.198 962 HB ILE 130 HB ILE 130 5.060 -30.858 9.067 963 1HG1 ILE 130 1HG1 ILE 130 4.142 -28.665 10.073 964 2HG1 ILE 130 2HG1 ILE 130 4.902 -29.182 11.578 965 1HG2 ILE 130 1HG2 ILE 130 5.590 -31.886 11.269 966 2HG2 ILE 130 2HG2 ILE 130 6.830 -30.657 11.521 967 3HG2 ILE 130 3HG2 ILE 130 6.996 -31.820 10.206 968 1HD1 ILE 130 1HD1 ILE 130 2.474 -29.858 11.340 969 2HD1 ILE 130 2HD1 ILE 130 3.578 -31.203 11.628 970 3HD1 ILE 130 3HD1 ILE 130 2.962 -30.899 10.003 971 H GLU 131 H GLU 131 7.194 -30.606 7.090 972 HA GLU 131 HA GLU 131 6.359 -28.685 5.101 973 1HB GLU 131 1HB GLU 131 7.397 -31.493 5.106 974 2HB GLU 131 2HB GLU 131 7.997 -30.083 4.240 975 1HG GLU 131 1HG GLU 131 6.024 -30.213 2.723 976 2HG GLU 131 2HG GLU 131 5.512 -31.676 3.565 977 H GLU 132 H GLU 132 4.846 -31.485 6.646 978 HA GLU 132 HA GLU 132 2.592 -31.748 4.907 979 1HB GLU 132 1HB GLU 132 1.486 -32.666 7.066 980 2HB GLU 132 2HB GLU 132 3.059 -32.402 7.818 981 1HG GLU 132 1HG GLU 132 3.272 -34.603 7.073 982 2HG GLU 132 2HG GLU 132 3.956 -33.715 5.713 983 H ASP 133 H ASP 133 3.298 -29.522 7.575 984 HA ASP 133 HA ASP 133 0.557 -28.459 7.618 985 1HB ASP 133 1HB ASP 133 3.040 -27.243 8.858 986 2HB ASP 133 2HB ASP 133 2.115 -28.533 9.627 987 H ILE 134 H ILE 134 3.737 -27.454 6.351 988 HA ILE 134 HA ILE 134 2.878 -24.872 5.401 989 HB ILE 134 HB ILE 134 5.160 -26.640 4.457 990 1HG1 ILE 134 1HG1 ILE 134 5.055 -25.844 6.917 991 2HG1 ILE 134 2HG1 ILE 134 5.313 -24.226 6.271 992 1HG2 ILE 134 1HG2 ILE 134 4.504 -23.723 3.970 993 2HG2 ILE 134 2HG2 ILE 134 4.703 -24.991 2.761 994 3HG2 ILE 134 3HG2 ILE 134 6.098 -24.418 3.676 995 1HD1 ILE 134 1HD1 ILE 134 7.161 -26.170 5.116 996 2HD1 ILE 134 2HD1 ILE 134 7.298 -26.093 6.872 997 3HD1 ILE 134 3HD1 ILE 134 7.507 -24.632 5.908 998 H GLU 135 H GLU 135 3.280 -28.015 3.724 999 HA GLU 135 HA GLU 135 2.460 -27.145 1.145 1000 1HB GLU 135 1HB GLU 135 1.830 -29.897 2.213 1001 2HB GLU 135 2HB GLU 135 3.493 -29.411 1.880 1002 1HG GLU 135 1HG GLU 135 2.982 -28.995 -0.439 1003 2HG GLU 135 2HG GLU 135 1.253 -29.183 -0.149 1004 H ASP 136 H ASP 136 0.476 -28.814 3.630 1005 HA ASP 136 HA ASP 136 -2.006 -28.595 2.273 1006 1HB ASP 136 1HB ASP 136 -1.845 -28.440 5.270 1007 2HB ASP 136 2HB ASP 136 -1.342 -29.911 4.438 1008 H LEU 137 H LEU 137 -0.288 -26.237 4.282 1009 HA LEU 137 HA LEU 137 -2.422 -24.438 4.805 1010 1HB LEU 137 1HB LEU 137 0.393 -23.540 4.172 1011 2HB LEU 137 2HB LEU 137 0.009 -24.380 5.673 1012 HG LEU 137 HG LEU 137 -1.467 -21.902 4.754 1013 1HD1 LEU 137 1HD1 LEU 137 -1.830 -21.857 7.335 1014 2HD1 LEU 137 2HD1 LEU 137 -1.338 -23.550 7.279 1015 3HD1 LEU 137 3HD1 LEU 137 -2.759 -23.013 6.383 1016 1HD2 LEU 137 1HD2 LEU 137 0.781 -21.167 5.050 1017 2HD2 LEU 137 2HD2 LEU 137 1.018 -22.213 6.449 1018 3HD2 LEU 137 3HD2 LEU 137 -0.026 -20.798 6.574 1019 H MET 138 H MET 138 -0.211 -24.616 1.999 1020 HA MET 138 HA MET 138 -1.395 -22.364 0.622 1021 1HB MET 138 1HB MET 138 -0.268 -23.868 -1.374 1022 2HB MET 138 2HB MET 138 0.626 -24.437 0.037 1023 1HG MET 138 1HG MET 138 1.035 -22.015 0.637 1024 2HG MET 138 2HG MET 138 0.331 -21.574 -0.919 1025 1HE MET 138 1HE MET 138 2.739 -21.556 -3.295 1026 2HE MET 138 2HE MET 138 1.042 -21.629 -2.828 1027 3HE MET 138 3HE MET 138 1.836 -23.068 -3.464 1028 H LYS 139 H LYS 139 -2.134 -25.817 0.749 1029 HA LYS 139 HA LYS 139 -3.807 -25.937 -1.587 1030 1HB LYS 139 1HB LYS 139 -4.627 -28.025 -0.717 1031 2HB LYS 139 2HB LYS 139 -4.172 -27.589 0.928 1032 1HG LYS 139 1HG LYS 139 -2.582 -29.202 -0.112 1033 2HG LYS 139 2HG LYS 139 -1.804 -27.692 0.345 1034 1HD LYS 139 1HD LYS 139 -2.077 -26.898 -2.018 1035 2HD LYS 139 2HD LYS 139 -2.730 -28.483 -2.437 1036 1HE LYS 139 1HE LYS 139 -0.650 -29.565 -1.855 1037 2HE LYS 139 2HE LYS 139 -0.005 -28.072 -1.172 1038 1HZ LYS 139 1HZ LYS 139 0.845 -28.489 -3.402 1039 2HZ LYS 139 2HZ LYS 139 -0.079 -27.065 -3.357 1040 3HZ LYS 139 3HZ LYS 139 -0.732 -28.485 -4.023 1041 H ASP 140 H ASP 140 -4.413 -24.959 1.752 1042 HA ASP 140 HA ASP 140 -7.313 -24.683 1.262 1043 1HB ASP 140 1HB ASP 140 -7.267 -23.831 3.670 1044 2HB ASP 140 2HB ASP 140 -5.552 -24.242 3.684 1045 H SER 141 H SER 141 -4.434 -22.671 1.370 1046 HA SER 141 HA SER 141 -5.942 -20.171 1.594 1047 1HB SER 141 1HB SER 141 -3.280 -19.803 0.519 1048 2HB SER 141 2HB SER 141 -3.228 -20.910 1.887 1049 HG SER 141 HG SER 141 -3.430 -19.223 3.083 1050 H ASP 142 H ASP 142 -4.793 -22.231 -1.019 1051 HA ASP 142 HA ASP 142 -5.241 -20.118 -3.035 1052 1HB ASP 142 1HB ASP 142 -4.944 -22.834 -4.075 1053 2HB ASP 142 2HB ASP 142 -3.646 -22.407 -2.961 1054 H LYS 143 H LYS 143 -7.149 -19.834 -4.088 1055 HA LYS 143 HA LYS 143 -9.487 -21.369 -3.322 1056 1HB LYS 143 1HB LYS 143 -10.611 -19.974 -5.117 1057 2HB LYS 143 2HB LYS 143 -9.037 -19.246 -5.437 1058 1HG LYS 143 1HG LYS 143 -9.166 -18.990 -2.726 1059 2HG LYS 143 2HG LYS 143 -10.875 -18.860 -3.142 1060 1HD LYS 143 1HD LYS 143 -8.691 -17.249 -4.495 1061 2HD LYS 143 2HD LYS 143 -9.625 -16.658 -3.123 1062 1HE LYS 143 1HE LYS 143 -10.857 -17.616 -5.726 1063 2HE LYS 143 2HE LYS 143 -10.525 -15.925 -5.360 1064 1HZ LYS 143 1HZ LYS 143 -11.879 -16.398 -3.242 1065 2HZ LYS 143 2HZ LYS 143 -12.467 -17.744 -4.094 1066 3HZ LYS 143 3HZ LYS 143 -12.707 -16.177 -4.704 1067 H ASN 144 H ASN 144 -7.851 -20.950 -6.492 1068 HA ASN 144 HA ASN 144 -9.151 -23.465 -7.416 1069 1HB ASN 144 1HB ASN 144 -7.473 -21.694 -9.173 1070 2HB ASN 144 2HB ASN 144 -9.104 -21.190 -8.729 1071 1HD2 ASN 144 1HD2 ASN 144 -7.401 -22.912 -11.063 1072 2HD2 ASN 144 2HD2 ASN 144 -8.666 -23.879 -11.652 1073 H ASN 145 H ASN 145 -6.173 -22.378 -6.151 1074 HA ASN 145 HA ASN 145 -4.108 -23.409 -5.887 1075 1HB ASN 145 1HB ASN 145 -4.201 -25.985 -6.644 1076 2HB ASN 145 2HB ASN 145 -5.934 -25.679 -6.527 1077 1HD2 ASN 145 1HD2 ASN 145 -6.841 -25.546 -4.421 1078 2HD2 ASN 145 2HD2 ASN 145 -5.922 -25.617 -2.995 1079 H ASP 146 H ASP 146 -3.135 -22.115 -7.521 1080 HA ASP 146 HA ASP 146 -2.973 -23.282 -10.253 1081 1HB ASP 146 1HB ASP 146 -1.736 -20.666 -9.403 1082 2HB ASP 146 2HB ASP 146 -3.466 -20.773 -9.734 1083 H GLY 147 H GLY 147 -0.977 -22.450 -7.443 1084 1HA GLY 147 1HA GLY 147 1.416 -23.569 -8.830 1085 2HA GLY 147 2HA GLY 147 0.936 -24.209 -7.258 1086 NH1 ARG 148 NH1 ARG 148 3.433 -21.294 -12.885 1087 NH2 ARG 148 NH2 ARG 148 2.026 -19.534 -12.615 1088 H ARG 148 H ARG 148 0.837 -20.814 -8.354 1089 HA ARG 148 HA ARG 148 2.996 -20.173 -6.397 1090 1HB ARG 148 1HB ARG 148 2.998 -17.956 -7.700 1091 2HB ARG 148 2HB ARG 148 1.975 -18.777 -8.874 1092 1HG ARG 148 1HG ARG 148 4.507 -20.111 -7.985 1093 2HG ARG 148 2HG ARG 148 4.605 -18.784 -9.138 1094 1HD ARG 148 1HD ARG 148 2.514 -20.769 -9.756 1095 2HD ARG 148 2HD ARG 148 4.159 -21.401 -9.827 1096 HE ARG 148 HE ARG 148 4.402 -19.101 -11.269 1097 1HH1 ARG 148 1HH1 ARG 148 1.500 -19.828 -13.414 1098 2HH1 ARG 148 2HH1 ARG 148 1.751 -18.716 -12.110 1099 1HH2 ARG 148 1HH2 ARG 148 4.233 -21.817 -12.587 1100 2HH2 ARG 148 2HH2 ARG 148 2.911 -21.592 -13.685 1101 H ILE 149 H ILE 149 2.715 -17.936 -5.390 1102 HA ILE 149 HA ILE 149 -0.133 -17.579 -4.538 1103 HB ILE 149 HB ILE 149 2.428 -16.853 -3.065 1104 1HG1 ILE 149 1HG1 ILE 149 1.499 -19.359 -3.353 1105 2HG1 ILE 149 2HG1 ILE 149 0.443 -18.842 -2.039 1106 1HG2 ILE 149 1HG2 ILE 149 0.642 -16.626 -1.165 1107 2HG2 ILE 149 2HG2 ILE 149 -0.503 -16.444 -2.495 1108 3HG2 ILE 149 3HG2 ILE 149 0.832 -15.304 -2.317 1109 1HD1 ILE 149 1HD1 ILE 149 3.450 -19.047 -2.082 1110 2HD1 ILE 149 2HD1 ILE 149 2.314 -19.702 -0.902 1111 3HD1 ILE 149 3HD1 ILE 149 2.645 -17.970 -0.940 1112 H ASP 150 H ASP 150 -1.053 -15.748 -5.327 1113 HA ASP 150 HA ASP 150 0.728 -13.608 -6.379 1114 1HB ASP 150 1HB ASP 150 -1.340 -12.740 -7.461 1115 2HB ASP 150 2HB ASP 150 -2.266 -14.029 -6.707 1116 H PHE 151 H PHE 151 -0.082 -11.303 -5.965 1117 HA PHE 151 HA PHE 151 -0.215 -10.793 -3.159 1118 1HB PHE 151 1HB PHE 151 -1.154 -8.900 -5.329 1119 2HB PHE 151 2HB PHE 151 0.550 -9.184 -4.976 1120 HD1 PHE 151 HD1 PHE 151 0.943 -9.224 -2.220 1121 HD2 PHE 151 HD2 PHE 151 -1.996 -6.954 -4.379 1122 HE1 PHE 151 HE1 PHE 151 0.830 -7.596 -0.355 1123 HE2 PHE 151 HE2 PHE 151 -2.108 -5.327 -2.513 1124 HZ PHE 151 HZ PHE 151 -0.696 -5.647 -0.501 1125 H ASP 152 H ASP 152 -2.727 -11.250 -5.588 1126 HA ASP 152 HA ASP 152 -4.957 -10.245 -4.092 1127 1HB ASP 152 1HB ASP 152 -6.303 -11.783 -5.560 1128 2HB ASP 152 2HB ASP 152 -4.791 -12.448 -6.173 1129 H GLU 153 H GLU 153 -3.751 -13.597 -4.485 1130 HA GLU 153 HA GLU 153 -5.465 -14.722 -2.454 1131 1HB GLU 153 1HB GLU 153 -3.868 -16.656 -2.555 1132 2HB GLU 153 2HB GLU 153 -2.840 -15.702 -3.622 1133 1HG GLU 153 1HG GLU 153 -5.270 -15.460 -4.864 1134 2HG GLU 153 2HG GLU 153 -5.388 -17.087 -4.193 1135 H PHE 154 H PHE 154 -2.316 -13.151 -2.403 1136 HA PHE 154 HA PHE 154 -1.353 -14.020 0.120 1137 1HB PHE 154 1HB PHE 154 -0.976 -11.206 -0.925 1138 2HB PHE 154 2HB PHE 154 -0.155 -12.585 -1.652 1139 HD1 PHE 154 HD1 PHE 154 1.167 -14.146 -0.046 1140 HD2 PHE 154 HD2 PHE 154 -0.056 -10.158 0.981 1141 HE1 PHE 154 HE1 PHE 154 2.883 -14.082 1.741 1142 HE2 PHE 154 HE2 PHE 154 1.663 -10.098 2.768 1143 HZ PHE 154 HZ PHE 154 3.131 -12.057 3.148 1144 H LEU 155 H LEU 155 -3.777 -11.567 -0.691 1145 HA LEU 155 HA LEU 155 -3.937 -10.230 1.813 1146 1HB LEU 155 1HB LEU 155 -6.300 -9.739 1.173 1147 2HB LEU 155 2HB LEU 155 -6.155 -10.885 -0.158 1148 HG LEU 155 HG LEU 155 -4.195 -9.525 -0.994 1149 1HD1 LEU 155 1HD1 LEU 155 -6.903 -8.179 -0.746 1150 2HD1 LEU 155 2HD1 LEU 155 -6.382 -9.273 -2.028 1151 3HD1 LEU 155 3HD1 LEU 155 -5.645 -7.679 -1.876 1152 1HD2 LEU 155 1HD2 LEU 155 -5.080 -7.842 1.341 1153 2HD2 LEU 155 2HD2 LEU 155 -4.370 -7.065 -0.075 1154 3HD2 LEU 155 3HD2 LEU 155 -3.444 -8.261 0.832 1155 H LYS 156 H LYS 156 -5.949 -12.969 0.652 1156 HA LYS 156 HA LYS 156 -7.076 -13.496 3.266 1157 1HB LYS 156 1HB LYS 156 -7.720 -15.719 2.183 1158 2HB LYS 156 2HB LYS 156 -6.919 -15.136 0.724 1159 1HG LYS 156 1HG LYS 156 -8.400 -13.100 0.817 1160 2HG LYS 156 2HG LYS 156 -9.265 -13.851 2.157 1161 1HD LYS 156 1HD LYS 156 -9.960 -15.696 0.763 1162 2HD LYS 156 2HD LYS 156 -8.910 -15.166 -0.553 1163 1HE LYS 156 1HE LYS 156 -10.251 -13.006 -0.595 1164 2HE LYS 156 2HE LYS 156 -11.386 -13.779 0.511 1165 1HZ LYS 156 1HZ LYS 156 -12.128 -14.054 -1.744 1166 2HZ LYS 156 2HZ LYS 156 -11.663 -15.566 -1.124 1167 3HZ LYS 156 3HZ LYS 156 -10.643 -14.734 -2.200 1168 H MET 157 H MET 157 -4.144 -14.493 1.626 1169 HA MET 157 HA MET 157 -3.497 -16.830 3.115 1170 1HB MET 157 1HB MET 157 -1.189 -15.140 2.475 1171 2HB MET 157 2HB MET 157 -2.289 -15.330 1.110 1172 1HG MET 157 1HG MET 157 -1.864 -17.568 0.911 1173 2HG MET 157 2HG MET 157 -1.699 -17.796 2.650 1174 1HE MET 157 1HE MET 157 0.921 -16.023 3.715 1175 2HE MET 157 2HE MET 157 1.659 -17.619 3.606 1176 3HE MET 157 3HE MET 157 -0.056 -17.474 3.982 1177 H MET 158 H MET 158 -3.016 -13.381 3.855 1178 HA MET 158 HA MET 158 -2.032 -14.195 6.562 1179 1HB MET 158 1HB MET 158 -1.502 -11.416 5.865 1180 2HB MET 158 2HB MET 158 -0.798 -12.518 4.681 1181 1HG MET 158 1HG MET 158 0.025 -13.835 6.793 1182 2HG MET 158 2HG MET 158 -0.254 -12.309 7.633 1183 1HE MET 158 1HE MET 158 2.270 -14.104 7.173 1184 2HE MET 158 2HE MET 158 2.613 -12.652 8.112 1185 3HE MET 158 3HE MET 158 3.626 -13.057 6.728 1186 H GLU 159 H GLU 159 -3.493 -11.257 5.099 1187 HA GLU 159 HA GLU 159 -5.001 -10.653 7.503 1188 1HB GLU 159 1HB GLU 159 -6.226 -9.144 5.619 1189 2HB GLU 159 2HB GLU 159 -4.717 -9.494 4.776 1190 1HG GLU 159 1HG GLU 159 -3.424 -8.380 6.358 1191 2HG GLU 159 2HG GLU 159 -4.606 -8.616 7.644 1192 H GLY 160 H GLY 160 -6.134 -12.753 7.754 1193 1HA GLY 160 1HA GLY 160 -7.715 -14.332 6.435 1194 2HA GLY 160 2HA GLY 160 -8.605 -12.853 6.073 1195 H VAL 161 H VAL 161 -9.233 -11.554 8.120 1196 HA VAL 161 HA VAL 161 -9.887 -13.408 10.367 1197 HB VAL 161 HB VAL 161 -9.861 -10.373 10.414 1198 1HG1 VAL 161 1HG1 VAL 161 -9.619 -12.290 12.731 1199 2HG1 VAL 161 2HG1 VAL 161 -11.196 -11.782 12.125 1200 3HG1 VAL 161 3HG1 VAL 161 -10.067 -10.585 12.760 1201 1HG2 VAL 161 1HG2 VAL 161 -7.600 -10.938 10.026 1202 2HG2 VAL 161 2HG2 VAL 161 -7.716 -12.419 10.975 1203 3HG2 VAL 161 3HG2 VAL 161 -7.702 -10.852 11.785 1204 H GLN 162 H GLN 162 -11.611 -14.031 8.655 1205 HA GLN 162 HA GLN 162 -14.069 -12.456 9.251 1206 1HB GLN 162 1HB GLN 162 -13.488 -11.706 7.041 1207 2HB GLN 162 2HB GLN 162 -14.814 -12.852 6.862 1208 1HG GLN 162 1HG GLN 162 -13.257 -14.623 6.237 1209 2HG GLN 162 2HG GLN 162 -11.879 -13.566 6.548 1210 1HE2 GLN 162 1HE2 GLN 162 -14.393 -14.367 4.230 1211 2HE2 GLN 162 2HE2 GLN 162 -13.895 -13.281 3.024 Start of MODEL 12 Raw file had 1211 H/Q atoms Start of MODEL 12 1 1H ALA 1 1H ALA 1 -31.440 1.988 -2.592 2 2H ALA 1 2H ALA 1 -29.749 2.024 -2.759 3 3H ALA 1 3H ALA 1 -30.728 1.597 -4.081 4 HA ALA 1 HA ALA 1 -31.650 3.810 -4.183 5 1HB ALA 1 1HB ALA 1 -30.506 5.551 -2.699 6 2HB ALA 1 2HB ALA 1 -29.887 4.198 -1.753 7 3HB ALA 1 3HB ALA 1 -31.625 4.460 -1.882 8 H SER 2 H SER 2 -30.730 4.220 -6.142 9 HA SER 2 HA SER 2 -27.802 4.800 -6.209 10 1HB SER 2 1HB SER 2 -28.054 2.544 -7.088 11 2HB SER 2 2HB SER 2 -27.689 3.632 -8.423 12 HG SER 2 HG SER 2 -29.399 2.407 -9.070 13 H MET 3 H MET 3 -29.092 6.973 -6.007 14 HA MET 3 HA MET 3 -30.386 7.949 -8.438 15 1HB MET 3 1HB MET 3 -30.377 10.136 -7.283 16 2HB MET 3 2HB MET 3 -29.334 9.469 -6.027 17 1HG MET 3 1HG MET 3 -31.279 7.648 -5.882 18 2HG MET 3 2HG MET 3 -32.236 8.967 -6.555 19 1HE MET 3 1HE MET 3 -29.150 9.127 -3.735 20 2HE MET 3 2HE MET 3 -29.985 7.608 -4.050 21 3HE MET 3 3HE MET 3 -30.268 8.463 -2.535 22 H THR 4 H THR 4 -27.183 8.254 -6.938 23 HA THR 4 HA THR 4 -26.192 10.001 -9.083 24 HB THR 4 HB THR 4 -23.967 9.507 -7.808 25 HG1 THR 4 HG1 THR 4 -24.217 8.664 -5.825 26 1HG2 THR 4 1HG2 THR 4 -24.593 11.222 -6.118 27 2HG2 THR 4 2HG2 THR 4 -26.285 11.014 -6.574 28 3HG2 THR 4 3HG2 THR 4 -25.127 11.649 -7.743 29 H ASP 5 H ASP 5 -24.509 9.412 -10.538 30 HA ASP 5 HA ASP 5 -24.352 6.468 -11.061 31 1HB ASP 5 1HB ASP 5 -25.242 7.147 -13.073 32 2HB ASP 5 2HB ASP 5 -23.559 7.517 -13.429 33 H GLN 6 H GLN 6 -22.468 9.426 -11.824 34 HA GLN 6 HA GLN 6 -19.925 8.032 -11.671 35 1HB GLN 6 1HB GLN 6 -20.202 11.012 -11.322 36 2HB GLN 6 2HB GLN 6 -20.563 10.287 -12.889 37 1HG GLN 6 1HG GLN 6 -18.332 9.317 -13.003 38 2HG GLN 6 2HG GLN 6 -17.967 9.876 -11.371 39 1HE2 GLN 6 1HE2 GLN 6 -18.972 11.192 -14.584 40 2HE2 GLN 6 2HE2 GLN 6 -18.105 12.643 -14.423 41 H GLN 7 H GLN 7 -21.871 10.032 -9.479 42 HA GLN 7 HA GLN 7 -19.902 10.071 -7.352 43 1HB GLN 7 1HB GLN 7 -22.574 10.358 -6.333 44 2HB GLN 7 2HB GLN 7 -22.447 11.254 -7.846 45 1HG GLN 7 1HG GLN 7 -20.205 11.511 -5.882 46 2HG GLN 7 2HG GLN 7 -21.718 12.338 -5.513 47 1HE2 GLN 7 1HE2 GLN 7 -19.079 12.140 -7.913 48 2HE2 GLN 7 2HE2 GLN 7 -19.418 13.631 -8.651 49 H ALA 8 H ALA 8 -22.831 8.090 -8.017 50 HA ALA 8 HA ALA 8 -22.648 6.520 -5.618 51 1HB ALA 8 1HB ALA 8 -24.125 4.929 -6.773 52 2HB ALA 8 2HB ALA 8 -23.810 5.743 -8.305 53 3HB ALA 8 3HB ALA 8 -24.670 6.588 -7.018 54 H GLU 9 H GLU 9 -20.514 6.514 -8.301 55 HA GLU 9 HA GLU 9 -19.701 3.703 -7.698 56 1HB GLU 9 1HB GLU 9 -20.181 4.113 -10.081 57 2HB GLU 9 2HB GLU 9 -18.476 3.741 -9.838 58 1HG GLU 9 1HG GLU 9 -17.937 6.148 -9.909 59 2HG GLU 9 2HG GLU 9 -19.644 6.524 -10.135 60 H ALA 10 H ALA 10 -18.484 7.032 -7.992 61 HA ALA 10 HA ALA 10 -15.769 6.373 -7.235 62 1HB ALA 10 1HB ALA 10 -15.757 8.901 -6.620 63 2HB ALA 10 2HB ALA 10 -17.375 8.928 -7.321 64 3HB ALA 10 3HB ALA 10 -15.992 8.464 -8.312 65 NH1 ARG 11 NH1 ARG 11 -20.822 4.378 1.019 66 NH2 ARG 11 NH2 ARG 11 -21.939 6.261 1.610 67 H ARG 11 H ARG 11 -18.766 6.932 -5.502 68 HA ARG 11 HA ARG 11 -17.601 7.489 -2.912 69 1HB ARG 11 1HB ARG 11 -20.191 6.056 -2.958 70 2HB ARG 11 2HB ARG 11 -20.153 7.543 -3.903 71 1HG ARG 11 1HG ARG 11 -20.758 8.323 -1.780 72 2HG ARG 11 2HG ARG 11 -19.011 8.559 -1.778 73 1HD ARG 11 1HD ARG 11 -19.507 7.496 0.299 74 2HD ARG 11 2HD ARG 11 -18.856 6.221 -0.728 75 HE ARG 11 HE ARG 11 -21.555 6.011 -1.177 76 1HH1 ARG 11 1HH1 ARG 11 -21.044 3.966 1.903 77 2HH1 ARG 11 2HH1 ARG 11 -20.284 3.864 0.351 78 1HH2 ARG 11 1HH2 ARG 11 -22.254 7.185 1.394 79 2HH2 ARG 11 2HH2 ARG 11 -22.164 5.853 2.496 80 H ALA 12 H ALA 12 -18.794 4.504 -4.481 81 HA ALA 12 HA ALA 12 -18.133 2.759 -2.284 82 1HB ALA 12 1HB ALA 12 -18.589 2.282 -5.238 83 2HB ALA 12 2HB ALA 12 -19.684 1.931 -3.902 84 3HB ALA 12 3HB ALA 12 -18.221 0.971 -4.117 85 H PHE 13 H PHE 13 -16.218 4.269 -4.773 86 HA PHE 13 HA PHE 13 -14.044 2.388 -4.860 87 1HB PHE 13 1HB PHE 13 -13.507 5.307 -5.212 88 2HB PHE 13 2HB PHE 13 -14.642 4.550 -6.330 89 HD1 PHE 13 HD1 PHE 13 -11.200 5.127 -5.598 90 HD2 PHE 13 HD2 PHE 13 -13.872 2.296 -7.418 91 HE1 PHE 13 HE1 PHE 13 -9.304 4.146 -6.860 92 HE2 PHE 13 HE2 PHE 13 -11.976 1.316 -8.677 93 HZ PHE 13 HZ PHE 13 -9.691 2.241 -8.398 94 H LEU 14 H LEU 14 -14.593 5.326 -2.877 95 HA LEU 14 HA LEU 14 -12.313 4.437 -1.150 96 1HB LEU 14 1HB LEU 14 -11.727 6.596 -1.944 97 2HB LEU 14 2HB LEU 14 -12.364 6.873 -0.323 98 HG LEU 14 HG LEU 14 -14.649 7.060 -1.816 99 1HD1 LEU 14 1HD1 LEU 14 -14.663 9.163 -0.961 100 2HD1 LEU 14 2HD1 LEU 14 -13.119 9.575 -1.706 101 3HD1 LEU 14 3HD1 LEU 14 -13.153 8.686 -0.184 102 1HD2 LEU 14 1HD2 LEU 14 -14.149 8.392 -3.800 103 2HD2 LEU 14 2HD2 LEU 14 -13.304 6.849 -3.912 104 3HD2 LEU 14 3HD2 LEU 14 -12.421 8.306 -3.457 105 H SER 15 H SER 15 -12.940 3.604 0.760 106 HA SER 15 HA SER 15 -15.694 3.876 1.696 107 1HB SER 15 1HB SER 15 -14.919 2.465 3.591 108 2HB SER 15 2HB SER 15 -13.265 2.606 2.998 109 HG SER 15 HG SER 15 -14.104 0.732 2.167 110 H GLU 16 H GLU 16 -15.699 4.253 4.338 111 HA GLU 16 HA GLU 16 -15.300 7.053 4.693 112 1HB GLU 16 1HB GLU 16 -15.500 6.374 7.213 113 2HB GLU 16 2HB GLU 16 -15.837 4.765 6.572 114 1HG GLU 16 1HG GLU 16 -17.652 5.742 5.170 115 2HG GLU 16 2HG GLU 16 -17.339 7.318 5.898 116 H GLU 17 H GLU 17 -13.100 4.360 5.169 117 HA GLU 17 HA GLU 17 -11.243 5.694 6.922 118 1HB GLU 17 1HB GLU 17 -10.429 3.631 4.872 119 2HB GLU 17 2HB GLU 17 -11.376 3.173 6.287 120 1HG GLU 17 1HG GLU 17 -9.603 3.413 7.689 121 2HG GLU 17 2HG GLU 17 -9.076 4.904 6.909 122 H MET 18 H MET 18 -11.351 5.292 3.368 123 HA MET 18 HA MET 18 -9.027 6.941 2.877 124 1HB MET 18 1HB MET 18 -10.862 6.971 0.664 125 2HB MET 18 2HB MET 18 -10.796 5.345 1.337 126 1HG MET 18 1HG MET 18 -8.303 5.439 1.223 127 2HG MET 18 2HG MET 18 -8.427 7.017 0.445 128 1HE MET 18 1HE MET 18 -6.837 4.679 -0.835 129 2HE MET 18 2HE MET 18 -7.731 3.486 -1.775 130 3HE MET 18 3HE MET 18 -7.867 3.495 -0.019 131 H ILE 19 H ILE 19 -12.534 7.513 2.701 132 HA ILE 19 HA ILE 19 -12.561 10.190 1.834 133 HB ILE 19 HB ILE 19 -14.376 8.831 3.858 134 1HG1 ILE 19 1HG1 ILE 19 -14.120 8.004 1.385 135 2HG1 ILE 19 2HG1 ILE 19 -15.016 9.466 0.982 136 1HG2 ILE 19 1HG2 ILE 19 -15.983 10.678 2.967 137 2HG2 ILE 19 2HG2 ILE 19 -14.506 11.516 2.488 138 3HG2 ILE 19 3HG2 ILE 19 -14.789 11.128 4.186 139 1HD1 ILE 19 1HD1 ILE 19 -16.092 7.009 1.831 140 2HD1 ILE 19 2HD1 ILE 19 -16.955 8.537 1.659 141 3HD1 ILE 19 3HD1 ILE 19 -16.256 8.088 3.215 142 H ALA 20 H ALA 20 -11.907 8.917 5.092 143 HA ALA 20 HA ALA 20 -11.969 11.408 6.499 144 1HB ALA 20 1HB ALA 20 -11.838 9.035 7.474 145 2HB ALA 20 2HB ALA 20 -10.857 10.268 8.265 146 3HB ALA 20 3HB ALA 20 -10.106 9.121 7.155 147 H GLU 21 H GLU 21 -9.250 9.671 4.934 148 HA GLU 21 HA GLU 21 -7.253 11.636 5.556 149 1HB GLU 21 1HB GLU 21 -7.065 10.114 2.991 150 2HB GLU 21 2HB GLU 21 -7.109 9.179 4.486 151 1HG GLU 21 1HG GLU 21 -5.303 11.003 5.236 152 2HG GLU 21 2HG GLU 21 -5.033 11.091 3.494 153 H PHE 22 H PHE 22 -9.483 11.266 2.807 154 HA PHE 22 HA PHE 22 -8.438 13.477 1.279 155 1HB PHE 22 1HB PHE 22 -10.521 13.328 0.002 156 2HB PHE 22 2HB PHE 22 -11.254 12.342 1.261 157 HD1 PHE 22 HD1 PHE 22 -7.744 12.107 0.009 158 HD2 PHE 22 HD2 PHE 22 -11.643 10.298 0.079 159 HE1 PHE 22 HE1 PHE 22 -6.818 10.071 -1.055 160 HE2 PHE 22 HE2 PHE 22 -10.712 8.263 -0.984 161 HZ PHE 22 HZ PHE 22 -8.302 8.148 -1.551 162 H LYS 23 H LYS 23 -10.732 13.214 3.945 163 HA LYS 23 HA LYS 23 -11.956 15.791 3.713 164 1HB LYS 23 1HB LYS 23 -11.384 14.533 6.383 165 2HB LYS 23 2HB LYS 23 -12.516 13.757 5.276 166 1HG LYS 23 1HG LYS 23 -13.920 15.716 5.222 167 2HG LYS 23 2HG LYS 23 -12.715 16.670 6.086 168 1HD LYS 23 1HD LYS 23 -13.913 14.176 7.295 169 2HD LYS 23 2HD LYS 23 -14.706 15.743 7.452 170 1HE LYS 23 1HE LYS 23 -12.378 16.578 8.273 171 2HE LYS 23 2HE LYS 23 -12.023 14.868 8.517 172 1HZ LYS 23 1HZ LYS 23 -14.262 16.402 9.721 173 2HZ LYS 23 2HZ LYS 23 -12.904 15.780 10.529 174 3HZ LYS 23 3HZ LYS 23 -14.061 14.724 9.872 175 H ALA 24 H ALA 24 -8.883 14.740 5.137 176 HA ALA 24 HA ALA 24 -8.249 17.108 6.592 177 1HB ALA 24 1HB ALA 24 -6.167 15.492 5.130 178 2HB ALA 24 2HB ALA 24 -7.021 14.812 6.515 179 3HB ALA 24 3HB ALA 24 -6.050 16.271 6.708 180 H ALA 25 H ALA 25 -7.640 16.233 3.197 181 HA ALA 25 HA ALA 25 -6.261 18.703 2.551 182 1HB ALA 25 1HB ALA 25 -5.922 16.677 1.215 183 2HB ALA 25 2HB ALA 25 -6.567 17.966 0.199 184 3HB ALA 25 3HB ALA 25 -7.626 16.671 0.761 185 H PHE 26 H PHE 26 -9.628 17.738 2.664 186 HA PHE 26 HA PHE 26 -10.675 19.789 0.952 187 1HB PHE 26 1HB PHE 26 -12.224 18.695 3.285 188 2HB PHE 26 2HB PHE 26 -11.817 17.643 1.927 189 HD1 PHE 26 HD1 PHE 26 -13.885 20.416 3.081 190 HD2 PHE 26 HD2 PHE 26 -12.582 18.240 -0.389 191 HE1 PHE 26 HE1 PHE 26 -15.737 21.404 1.763 192 HE2 PHE 26 HE2 PHE 26 -14.436 19.229 -1.704 193 HZ PHE 26 HZ PHE 26 -16.012 20.811 -0.629 194 H ASP 27 H ASP 27 -10.246 19.702 4.534 195 HA ASP 27 HA ASP 27 -11.398 22.293 4.959 196 1HB ASP 27 1HB ASP 27 -11.121 20.846 6.862 197 2HB ASP 27 2HB ASP 27 -10.134 22.279 7.132 198 H MET 28 H MET 28 -8.304 21.367 3.685 199 HA MET 28 HA MET 28 -6.807 23.732 4.312 200 1HB MET 28 1HB MET 28 -6.518 22.117 1.772 201 2HB MET 28 2HB MET 28 -5.957 21.512 3.329 202 1HG MET 28 1HG MET 28 -4.397 23.299 3.569 203 2HG MET 28 2HG MET 28 -5.140 24.219 2.260 204 1HE MET 28 1HE MET 28 -1.504 22.657 2.128 205 2HE MET 28 2HE MET 28 -2.490 24.010 2.678 206 3HE MET 28 3HE MET 28 -1.967 23.936 0.998 207 H PHE 29 H PHE 29 -8.388 22.831 1.223 208 HA PHE 29 HA PHE 29 -8.259 25.454 0.084 209 1HB PHE 29 1HB PHE 29 -10.418 24.383 -1.154 210 2HB PHE 29 2HB PHE 29 -9.695 22.917 -0.495 211 HD1 PHE 29 HD1 PHE 29 -7.928 21.885 -1.635 212 HD2 PHE 29 HD2 PHE 29 -8.780 26.028 -2.393 213 HE1 PHE 29 HE1 PHE 29 -6.223 21.907 -3.435 214 HE2 PHE 29 HE2 PHE 29 -7.072 26.048 -4.191 215 HZ PHE 29 HZ PHE 29 -5.795 23.989 -4.713 216 H ASP 30 H ASP 30 -10.379 23.996 2.398 217 HA ASP 30 HA ASP 30 -12.503 26.013 2.142 218 1HB ASP 30 1HB ASP 30 -12.166 24.100 4.439 219 2HB ASP 30 2HB ASP 30 -12.751 23.534 2.874 220 H ALA 31 H ALA 31 -9.972 27.207 2.663 221 HA ALA 31 HA ALA 31 -9.449 27.729 5.421 222 1HB ALA 31 1HB ALA 31 -8.954 29.797 3.291 223 2HB ALA 31 2HB ALA 31 -8.032 28.293 3.294 224 3HB ALA 31 3HB ALA 31 -7.957 29.376 4.684 225 H ASP 32 H ASP 32 -11.809 29.102 3.193 226 HA ASP 32 HA ASP 32 -12.447 31.342 4.982 227 1HB ASP 32 1HB ASP 32 -14.144 30.381 2.673 228 2HB ASP 32 2HB ASP 32 -12.671 31.315 2.406 229 H GLY 33 H GLY 33 -13.811 28.147 4.186 230 1HA GLY 33 1HA GLY 33 -15.807 28.561 6.384 231 2HA GLY 33 2HA GLY 33 -14.899 27.061 6.221 232 H GLY 34 H GLY 34 -17.117 26.094 6.100 233 1HA GLY 34 1HA GLY 34 -18.298 26.352 3.359 234 2HA GLY 34 2HA GLY 34 -19.241 25.934 4.789 235 H GLY 35 H GLY 35 -19.707 24.088 3.082 236 1HA GLY 35 1HA GLY 35 -19.544 21.643 3.385 237 2HA GLY 35 2HA GLY 35 -17.824 21.848 3.705 238 H ASP 36 H ASP 36 -18.152 23.934 1.270 239 HA ASP 36 HA ASP 36 -17.435 21.899 -0.770 240 1HB ASP 36 1HB ASP 36 -18.953 22.685 -2.402 241 2HB ASP 36 2HB ASP 36 -19.295 24.155 -1.504 242 H ILE 37 H ILE 37 -16.416 23.006 -2.712 243 HA ILE 37 HA ILE 37 -14.840 25.366 -1.774 244 HB ILE 37 HB ILE 37 -14.202 23.642 -4.175 245 1HG1 ILE 37 1HG1 ILE 37 -12.657 22.372 -2.687 246 2HG1 ILE 37 2HG1 ILE 37 -14.346 22.131 -2.247 247 1HG2 ILE 37 1HG2 ILE 37 -12.678 25.576 -2.426 248 2HG2 ILE 37 2HG2 ILE 37 -12.938 25.648 -4.169 249 3HG2 ILE 37 3HG2 ILE 37 -11.858 24.432 -3.490 250 1HD1 ILE 37 1HD1 ILE 37 -12.865 24.368 -0.919 251 2HD1 ILE 37 2HD1 ILE 37 -12.498 22.721 -0.409 252 3HD1 ILE 37 3HD1 ILE 37 -14.146 23.336 -0.280 253 H SER 38 H SER 38 -14.467 27.106 -3.366 254 HA SER 38 HA SER 38 -16.366 27.162 -5.650 255 1HB SER 38 1HB SER 38 -16.919 29.592 -4.870 256 2HB SER 38 2HB SER 38 -16.365 29.040 -3.292 257 HG SER 38 HG SER 38 -18.722 28.730 -4.144 258 H THR 39 H THR 39 -15.980 29.474 -6.795 259 HA THR 39 HA THR 39 -13.255 29.480 -7.699 260 HB THR 39 HB THR 39 -15.246 31.748 -7.998 261 HG1 THR 39 HG1 THR 39 -16.215 30.610 -9.514 262 1HG2 THR 39 1HG2 THR 39 -12.794 30.833 -9.500 263 2HG2 THR 39 2HG2 THR 39 -13.127 32.424 -8.813 264 3HG2 THR 39 3HG2 THR 39 -14.000 31.881 -10.246 265 H LYS 40 H LYS 40 -15.027 31.621 -5.451 266 HA LYS 40 HA LYS 40 -12.885 33.470 -5.004 267 1HB LYS 40 1HB LYS 40 -14.973 32.706 -2.952 268 2HB LYS 40 2HB LYS 40 -15.352 33.717 -4.344 269 1HG LYS 40 1HG LYS 40 -13.120 34.327 -2.390 270 2HG LYS 40 2HG LYS 40 -14.746 34.994 -2.241 271 1HD LYS 40 1HD LYS 40 -13.681 35.317 -4.943 272 2HD LYS 40 2HD LYS 40 -12.647 36.081 -3.734 273 1HE LYS 40 1HE LYS 40 -14.666 37.225 -2.801 274 2HE LYS 40 2HE LYS 40 -15.623 36.535 -4.112 275 1HZ LYS 40 1HZ LYS 40 -13.240 38.266 -4.494 276 2HZ LYS 40 2HZ LYS 40 -14.849 38.806 -4.577 277 3HZ LYS 40 3HZ LYS 40 -14.268 37.680 -5.709 278 H GLU 41 H GLU 41 -13.997 30.753 -2.950 279 HA GLU 41 HA GLU 41 -11.875 30.807 -1.072 280 1HB GLU 41 1HB GLU 41 -12.414 28.197 -1.041 281 2HB GLU 41 2HB GLU 41 -13.786 28.710 -2.023 282 1HG GLU 41 1HG GLU 41 -14.609 30.140 -0.306 283 2HG GLU 41 2HG GLU 41 -13.089 30.069 0.587 284 H LEU 42 H LEU 42 -11.919 29.591 -4.365 285 HA LEU 42 HA LEU 42 -9.594 27.893 -4.170 286 1HB LEU 42 1HB LEU 42 -9.965 29.144 -6.779 287 2HB LEU 42 2HB LEU 42 -11.482 28.540 -6.129 288 HG LEU 42 HG LEU 42 -10.314 26.823 -7.470 289 1HD1 LEU 42 1HD1 LEU 42 -8.181 25.915 -6.752 290 2HD1 LEU 42 2HD1 LEU 42 -8.162 26.977 -5.344 291 3HD1 LEU 42 3HD1 LEU 42 -8.008 27.657 -6.963 292 1HD2 LEU 42 1HD2 LEU 42 -9.904 25.418 -5.030 293 2HD2 LEU 42 2HD2 LEU 42 -11.327 25.380 -6.071 294 3HD2 LEU 42 3HD2 LEU 42 -11.226 26.552 -4.758 295 H GLY 43 H GLY 43 -9.934 31.083 -5.765 296 1HA GLY 43 1HA GLY 43 -8.439 32.876 -5.967 297 2HA GLY 43 2HA GLY 43 -7.218 31.628 -6.186 298 H THR 44 H THR 44 -9.076 32.058 -3.186 299 HA THR 44 HA THR 44 -7.055 33.630 -1.837 300 HB THR 44 HB THR 44 -8.262 32.661 0.265 301 HG1 THR 44 HG1 THR 44 -9.430 31.013 -0.369 302 1HG2 THR 44 1HG2 THR 44 -9.492 34.409 -1.856 303 2HG2 THR 44 2HG2 THR 44 -8.742 34.886 -0.331 304 3HG2 THR 44 3HG2 THR 44 -10.324 34.105 -0.333 305 H VAL 45 H VAL 45 -7.762 30.135 -1.931 306 HA VAL 45 HA VAL 45 -5.617 29.406 -0.133 307 HB VAL 45 HB VAL 45 -7.025 27.713 -2.227 308 1HG1 VAL 45 1HG1 VAL 45 -4.859 26.806 -1.290 309 2HG1 VAL 45 2HG1 VAL 45 -6.272 25.811 -0.940 310 3HG1 VAL 45 3HG1 VAL 45 -5.600 26.860 0.309 311 1HG2 VAL 45 1HG2 VAL 45 -7.690 27.519 0.665 312 2HG2 VAL 45 2HG2 VAL 45 -8.742 27.375 -0.743 313 3HG2 VAL 45 3HG2 VAL 45 -8.254 28.968 -0.166 314 H MET 46 H MET 46 -5.813 29.910 -3.633 315 HA MET 46 HA MET 46 -3.311 28.647 -4.304 316 1HB MET 46 1HB MET 46 -3.458 29.825 -6.407 317 2HB MET 46 2HB MET 46 -4.571 31.011 -5.727 318 1HG MET 46 1HG MET 46 -6.350 29.671 -6.067 319 2HG MET 46 2HG MET 46 -5.527 28.269 -5.385 320 1HE MET 46 1HE MET 46 -4.987 26.056 -8.066 321 2HE MET 46 2HE MET 46 -5.275 26.463 -6.377 322 3HE MET 46 3HE MET 46 -3.673 26.700 -7.072 323 NH1 ARG 47 NH1 ARG 47 -5.291 38.237 -2.776 324 NH2 ARG 47 NH2 ARG 47 -3.031 38.366 -2.933 325 H ARG 47 H ARG 47 -4.179 32.038 -3.595 326 HA ARG 47 HA ARG 47 -1.537 33.100 -3.816 327 1HB ARG 47 1HB ARG 47 -2.641 34.801 -2.060 328 2HB ARG 47 2HB ARG 47 -4.109 33.988 -2.607 329 1HG ARG 47 1HG ARG 47 -2.836 34.390 -4.981 330 2HG ARG 47 2HG ARG 47 -2.276 35.793 -4.077 331 1HD ARG 47 1HD ARG 47 -5.058 35.504 -3.541 332 2HD ARG 47 2HD ARG 47 -4.847 35.354 -5.286 333 HE ARG 47 HE ARG 47 -4.102 37.618 -5.357 334 1HH1 ARG 47 1HH1 ARG 47 -5.268 38.800 -1.950 335 2HH1 ARG 47 2HH1 ARG 47 -6.166 37.905 -3.130 336 1HH2 ARG 47 1HH2 ARG 47 -2.180 38.133 -3.406 337 2HH2 ARG 47 2HH2 ARG 47 -3.004 38.929 -2.107 338 H MET 48 H MET 48 -3.054 31.247 -1.243 339 HA MET 48 HA MET 48 -1.340 32.104 0.902 340 1HB MET 48 1HB MET 48 -3.522 30.485 0.783 341 2HB MET 48 2HB MET 48 -2.420 30.524 2.154 342 1HG MET 48 1HG MET 48 -1.256 28.571 1.400 343 2HG MET 48 2HG MET 48 -2.033 28.636 -0.181 344 1HE MET 48 1HE MET 48 -3.639 27.602 3.881 345 2HE MET 48 2HE MET 48 -2.071 28.213 3.358 346 3HE MET 48 3HE MET 48 -2.437 26.496 3.202 347 H LEU 49 H LEU 49 -0.961 29.775 -1.710 348 HA LEU 49 HA LEU 49 1.552 28.692 -0.655 349 1HB LEU 49 1HB LEU 49 0.357 28.418 -3.431 350 2HB LEU 49 2HB LEU 49 -0.037 27.358 -2.079 351 HG LEU 49 HG LEU 49 2.858 27.693 -2.523 352 1HD1 LEU 49 1HD1 LEU 49 0.932 25.390 -2.147 353 2HD1 LEU 49 2HD1 LEU 49 2.096 26.026 -0.985 354 3HD1 LEU 49 3HD1 LEU 49 2.659 25.151 -2.409 355 1HD2 LEU 49 1HD2 LEU 49 1.293 26.089 -4.556 356 2HD2 LEU 49 2HD2 LEU 49 3.014 26.472 -4.568 357 3HD2 LEU 49 3HD2 LEU 49 1.827 27.740 -4.873 358 H GLY 50 H GLY 50 0.521 31.222 -2.901 359 1HA GLY 50 1HA GLY 50 3.401 31.795 -3.488 360 2HA GLY 50 2HA GLY 50 2.283 33.077 -3.031 361 H GLN 51 H GLN 51 0.467 30.992 -4.882 362 HA GLN 51 HA GLN 51 1.390 31.955 -7.513 363 1HB GLN 51 1HB GLN 51 -1.163 30.429 -7.109 364 2HB GLN 51 2HB GLN 51 0.373 29.595 -6.880 365 1HG GLN 51 1HG GLN 51 0.997 29.853 -9.112 366 2HG GLN 51 2HG GLN 51 -0.033 31.267 -9.342 367 1HE2 GLN 51 1HE2 GLN 51 -2.414 30.855 -9.528 368 2HE2 GLN 51 2HE2 GLN 51 -2.966 29.333 -10.038 369 H ASN 52 H ASN 52 0.068 33.282 -8.888 370 HA ASN 52 HA ASN 52 -2.120 34.739 -7.457 371 1HB ASN 52 1HB ASN 52 -0.450 36.375 -7.571 372 2HB ASN 52 2HB ASN 52 -1.379 36.695 -9.032 373 1HD2 ASN 52 1HD2 ASN 52 1.673 36.847 -8.186 374 2HD2 ASN 52 2HD2 ASN 52 2.458 36.178 -9.534 375 HA PRO 53 HA PRO 53 -3.843 32.958 -11.341 376 1HB PRO 53 1HB PRO 53 -4.584 31.048 -10.282 377 2HB PRO 53 2HB PRO 53 -6.103 31.949 -10.144 378 1HG PRO 53 1HG PRO 53 -4.679 30.977 -7.975 379 2HG PRO 53 2HG PRO 53 -5.773 32.368 -7.885 380 1HD PRO 53 1HD PRO 53 -2.822 32.300 -7.755 381 2HD PRO 53 2HD PRO 53 -3.928 33.615 -7.303 382 H THR 54 H THR 54 -6.006 33.546 -12.354 383 HA THR 54 HA THR 54 -6.863 36.225 -11.372 384 HB THR 54 HB THR 54 -7.134 36.857 -13.534 385 HG1 THR 54 HG1 THR 54 -8.879 35.951 -14.242 386 1HG2 THR 54 1HG2 THR 54 -4.970 35.513 -13.554 387 2HG2 THR 54 2HG2 THR 54 -5.728 35.778 -15.125 388 3HG2 THR 54 3HG2 THR 54 -5.892 34.218 -14.319 389 H LYS 55 H LYS 55 -9.258 36.706 -11.634 390 HA LYS 55 HA LYS 55 -10.783 34.741 -10.167 391 1HB LYS 55 1HB LYS 55 -12.711 36.330 -10.661 392 2HB LYS 55 2HB LYS 55 -11.560 37.315 -11.563 393 1HG LYS 55 1HG LYS 55 -10.121 37.288 -9.432 394 2HG LYS 55 2HG LYS 55 -11.547 36.655 -8.609 395 1HD LYS 55 1HD LYS 55 -11.821 39.108 -10.317 396 2HD LYS 55 2HD LYS 55 -11.111 39.264 -8.711 397 1HE LYS 55 1HE LYS 55 -13.258 39.412 -7.983 398 2HE LYS 55 2HE LYS 55 -13.313 37.666 -8.230 399 1HZ LYS 55 1HZ LYS 55 -15.137 38.664 -9.378 400 2HZ LYS 55 2HZ LYS 55 -14.028 38.111 -10.539 401 3HZ LYS 55 3HZ LYS 55 -14.118 39.767 -10.168 402 H GLU 56 H GLU 56 -11.032 35.937 -13.543 403 HA GLU 56 HA GLU 56 -13.096 34.052 -14.274 404 1HB GLU 56 1HB GLU 56 -12.787 36.117 -15.548 405 2HB GLU 56 2HB GLU 56 -12.574 34.726 -16.607 406 1HG GLU 56 1HG GLU 56 -10.029 34.996 -15.930 407 2HG GLU 56 2HG GLU 56 -10.519 36.648 -15.557 408 H GLU 57 H GLU 57 -9.589 33.859 -14.176 409 HA GLU 57 HA GLU 57 -9.322 31.564 -15.921 410 1HB GLU 57 1HB GLU 57 -7.508 32.534 -13.685 411 2HB GLU 57 2HB GLU 57 -7.426 33.069 -15.362 412 1HG GLU 57 1HG GLU 57 -6.804 30.873 -16.118 413 2HG GLU 57 2HG GLU 57 -7.159 30.164 -14.541 414 H LEU 58 H LEU 58 -9.457 31.967 -12.377 415 HA LEU 58 HA LEU 58 -9.384 29.138 -11.812 416 1HB LEU 58 1HB LEU 58 -10.638 30.347 -9.649 417 2HB LEU 58 2HB LEU 58 -9.647 31.642 -10.326 418 HG LEU 58 HG LEU 58 -7.723 29.985 -10.372 419 1HD1 LEU 58 1HD1 LEU 58 -7.519 30.039 -7.775 420 2HD1 LEU 58 2HD1 LEU 58 -9.039 30.930 -7.832 421 3HD1 LEU 58 3HD1 LEU 58 -7.610 31.572 -8.641 422 1HD2 LEU 58 1HD2 LEU 58 -7.906 27.952 -9.103 423 2HD2 LEU 58 2HD2 LEU 58 -9.298 27.990 -10.185 424 3HD2 LEU 58 3HD2 LEU 58 -9.492 28.409 -8.483 425 H ASP 59 H ASP 59 -11.971 31.428 -12.457 426 HA ASP 59 HA ASP 59 -14.181 29.887 -11.526 427 1HB ASP 59 1HB ASP 59 -14.414 31.539 -14.023 428 2HB ASP 59 2HB ASP 59 -14.042 32.347 -12.500 429 H ALA 60 H ALA 60 -12.388 29.830 -14.594 430 HA ALA 60 HA ALA 60 -14.147 27.922 -15.894 431 1HB ALA 60 1HB ALA 60 -11.248 28.643 -16.445 432 2HB ALA 60 2HB ALA 60 -12.661 29.360 -17.220 433 3HB ALA 60 3HB ALA 60 -12.264 27.665 -17.505 434 H ILE 61 H ILE 61 -11.258 27.721 -13.885 435 HA ILE 61 HA ILE 61 -10.653 24.960 -14.213 436 HB ILE 61 HB ILE 61 -10.231 26.953 -11.980 437 1HG1 ILE 61 1HG1 ILE 61 -8.964 26.887 -14.262 438 2HG1 ILE 61 2HG1 ILE 61 -8.146 25.478 -13.586 439 1HG2 ILE 61 1HG2 ILE 61 -8.663 25.186 -11.008 440 2HG2 ILE 61 2HG2 ILE 61 -9.474 24.015 -12.046 441 3HG2 ILE 61 3HG2 ILE 61 -10.384 24.864 -10.797 442 1HD1 ILE 61 1HD1 ILE 61 -7.998 27.262 -11.501 443 2HD1 ILE 61 2HD1 ILE 61 -7.867 28.333 -12.896 444 3HD1 ILE 61 3HD1 ILE 61 -6.720 27.008 -12.689 445 H ILE 62 H ILE 62 -13.074 26.623 -12.215 446 HA ILE 62 HA ILE 62 -13.790 24.391 -10.551 447 HB ILE 62 HB ILE 62 -15.535 26.686 -11.494 448 1HG1 ILE 62 1HG1 ILE 62 -14.536 28.052 -9.944 449 2HG1 ILE 62 2HG1 ILE 62 -13.163 26.994 -10.231 450 1HG2 ILE 62 1HG2 ILE 62 -15.723 24.828 -9.101 451 2HG2 ILE 62 2HG2 ILE 62 -16.843 24.910 -10.459 452 3HG2 ILE 62 3HG2 ILE 62 -16.725 26.261 -9.333 453 1HD1 ILE 62 1HD1 ILE 62 -15.140 26.875 -7.947 454 2HD1 ILE 62 2HD1 ILE 62 -13.397 27.128 -7.858 455 3HD1 ILE 62 3HD1 ILE 62 -14.036 25.550 -8.318 456 H GLU 63 H GLU 63 -14.986 25.511 -13.718 457 HA GLU 63 HA GLU 63 -17.109 23.611 -13.993 458 1HB GLU 63 1HB GLU 63 -15.933 24.138 -16.550 459 2HB GLU 63 2HB GLU 63 -15.872 25.623 -15.600 460 1HG GLU 63 1HG GLU 63 -18.167 25.802 -15.485 461 2HG GLU 63 2HG GLU 63 -18.409 24.055 -15.512 462 H GLU 64 H GLU 64 -13.639 23.418 -14.722 463 HA GLU 64 HA GLU 64 -13.620 20.994 -16.199 464 1HB GLU 64 1HB GLU 64 -11.396 21.286 -14.291 465 2HB GLU 64 2HB GLU 64 -11.698 22.732 -15.254 466 1HG GLU 64 1HG GLU 64 -11.599 21.366 -17.317 467 2HG GLU 64 2HG GLU 64 -11.281 19.928 -16.345 468 H VAL 65 H VAL 65 -13.434 21.504 -12.657 469 HA VAL 65 HA VAL 65 -13.347 18.657 -12.064 470 HB VAL 65 HB VAL 65 -14.173 20.912 -10.208 471 1HG1 VAL 65 1HG1 VAL 65 -13.617 19.426 -8.441 472 2HG1 VAL 65 2HG1 VAL 65 -12.769 18.323 -9.525 473 3HG1 VAL 65 3HG1 VAL 65 -14.528 18.433 -9.580 474 1HG2 VAL 65 1HG2 VAL 65 -11.681 20.691 -9.518 475 2HG2 VAL 65 2HG2 VAL 65 -12.044 21.588 -10.992 476 3HG2 VAL 65 3HG2 VAL 65 -11.458 19.927 -11.092 477 H ASP 66 H ASP 66 -15.908 21.074 -12.373 478 HA ASP 66 HA ASP 66 -18.018 19.428 -11.290 479 1HB ASP 66 1HB ASP 66 -19.417 21.163 -12.739 480 2HB ASP 66 2HB ASP 66 -17.870 22.009 -12.805 481 H GLU 67 H GLU 67 -17.346 17.482 -12.554 482 HA GLU 67 HA GLU 67 -17.636 17.278 -15.389 483 1HB GLU 67 1HB GLU 67 -18.265 14.774 -14.543 484 2HB GLU 67 2HB GLU 67 -17.485 15.402 -13.095 485 1HG GLU 67 1HG GLU 67 -15.560 16.136 -14.551 486 2HG GLU 67 2HG GLU 67 -16.325 15.289 -15.896 487 H ASP 68 H ASP 68 -19.978 16.888 -12.736 488 HA ASP 68 HA ASP 68 -22.141 16.112 -14.545 489 1HB ASP 68 1HB ASP 68 -22.343 17.065 -11.673 490 2HB ASP 68 2HB ASP 68 -21.994 15.398 -12.129 491 H GLY 69 H GLY 69 -21.008 19.096 -12.998 492 1HA GLY 69 1HA GLY 69 -22.929 20.603 -14.713 493 2HA GLY 69 2HA GLY 69 -21.419 21.252 -14.075 494 H SER 70 H SER 70 -21.491 20.785 -11.433 495 HA SER 70 HA SER 70 -24.141 21.498 -10.339 496 1HB SER 70 1HB SER 70 -21.697 21.439 -8.626 497 2HB SER 70 2HB SER 70 -22.235 19.916 -9.327 498 HG SER 70 HG SER 70 -24.062 19.995 -8.224 499 H GLY 71 H GLY 71 -21.102 23.068 -11.131 500 1HA GLY 71 1HA GLY 71 -22.186 25.616 -9.990 501 2HA GLY 71 2HA GLY 71 -21.243 25.540 -11.480 502 H THR 72 H THR 72 -21.014 24.685 -8.021 503 HA THR 72 HA THR 72 -18.190 25.648 -8.030 504 HB THR 72 HB THR 72 -18.460 25.798 -5.569 505 HG1 THR 72 HG1 THR 72 -20.136 24.957 -4.619 506 1HG2 THR 72 1HG2 THR 72 -19.044 27.758 -6.905 507 2HG2 THR 72 2HG2 THR 72 -20.150 27.618 -5.538 508 3HG2 THR 72 3HG2 THR 72 -20.675 27.130 -7.150 509 H ILE 73 H ILE 73 -16.953 24.295 -6.065 510 HA ILE 73 HA ILE 73 -17.141 21.475 -6.999 511 HB ILE 73 HB ILE 73 -15.082 22.438 -5.046 512 1HG1 ILE 73 1HG1 ILE 73 -15.128 24.117 -6.896 513 2HG1 ILE 73 2HG1 ILE 73 -14.921 22.807 -8.058 514 1HG2 ILE 73 1HG2 ILE 73 -15.091 20.415 -7.301 515 2HG2 ILE 73 2HG2 ILE 73 -15.185 20.057 -5.576 516 3HG2 ILE 73 3HG2 ILE 73 -13.713 20.752 -6.252 517 1HD1 ILE 73 1HD1 ILE 73 -12.975 23.160 -5.781 518 2HD1 ILE 73 2HD1 ILE 73 -12.805 24.108 -7.258 519 3HD1 ILE 73 3HD1 ILE 73 -12.729 22.348 -7.328 520 H ASP 74 H ASP 74 -17.830 19.868 -5.689 521 HA ASP 74 HA ASP 74 -18.774 20.606 -2.959 522 1HB ASP 74 1HB ASP 74 -20.167 18.516 -3.187 523 2HB ASP 74 2HB ASP 74 -19.564 18.359 -4.831 524 H PHE 75 H PHE 75 -18.776 18.510 -1.475 525 HA PHE 75 HA PHE 75 -16.000 17.725 -1.149 526 1HB PHE 75 1HB PHE 75 -18.412 16.486 0.206 527 2HB PHE 75 2HB PHE 75 -17.660 17.983 0.753 528 HD1 PHE 75 HD1 PHE 75 -15.316 17.976 1.598 529 HD2 PHE 75 HD2 PHE 75 -17.353 14.343 0.553 530 HE1 PHE 75 HE1 PHE 75 -13.607 16.664 2.825 531 HE2 PHE 75 HE2 PHE 75 -15.644 13.031 1.780 532 HZ PHE 75 HZ PHE 75 -13.770 14.192 2.917 533 H GLU 76 H GLU 76 -18.964 16.042 -2.207 534 HA GLU 76 HA GLU 76 -17.627 13.532 -2.740 535 1HB GLU 76 1HB GLU 76 -19.698 13.025 -4.072 536 2HB GLU 76 2HB GLU 76 -20.235 14.681 -3.785 537 1HG GLU 76 1HG GLU 76 -19.586 13.840 -1.242 538 2HG GLU 76 2HG GLU 76 -20.227 12.362 -1.963 539 H GLU 77 H GLU 77 -17.858 16.547 -4.459 540 HA GLU 77 HA GLU 77 -17.234 15.480 -7.105 541 1HB GLU 77 1HB GLU 77 -16.681 18.282 -6.075 542 2HB GLU 77 2HB GLU 77 -18.269 17.775 -6.649 543 1HG GLU 77 1HG GLU 77 -15.893 17.259 -8.401 544 2HG GLU 77 2HG GLU 77 -16.508 18.908 -8.296 545 H PHE 78 H PHE 78 -15.531 16.687 -4.295 546 HA PHE 78 HA PHE 78 -12.873 16.656 -5.404 547 1HB PHE 78 1HB PHE 78 -13.977 16.573 -2.581 548 2HB PHE 78 2HB PHE 78 -13.373 17.985 -3.441 549 HD1 PHE 78 HD1 PHE 78 -12.542 15.577 -1.038 550 HD2 PHE 78 HD2 PHE 78 -10.869 17.649 -4.409 551 HE1 PHE 78 HE1 PHE 78 -10.258 15.122 -0.187 552 HE2 PHE 78 HE2 PHE 78 -8.586 17.192 -3.557 553 HZ PHE 78 HZ PHE 78 -8.281 15.930 -1.446 554 H LEU 79 H LEU 79 -14.951 14.287 -3.775 555 HA LEU 79 HA LEU 79 -12.886 12.291 -3.380 556 1HB LEU 79 1HB LEU 79 -14.755 10.741 -2.967 557 2HB LEU 79 2HB LEU 79 -15.887 11.932 -3.601 558 HG LEU 79 HG LEU 79 -15.074 13.515 -1.793 559 1HD1 LEU 79 1HD1 LEU 79 -16.092 11.159 -0.318 560 2HD1 LEU 79 2HD1 LEU 79 -17.034 11.626 -1.734 561 3HD1 LEU 79 3HD1 LEU 79 -16.758 12.787 -0.437 562 1HD2 LEU 79 1HD2 LEU 79 -13.015 11.767 -1.499 563 2HD2 LEU 79 2HD2 LEU 79 -14.088 11.196 -0.222 564 3HD2 LEU 79 3HD2 LEU 79 -13.534 12.870 -0.224 565 H VAL 80 H VAL 80 -15.458 12.677 -5.857 566 HA VAL 80 HA VAL 80 -14.696 10.399 -7.413 567 HB VAL 80 HB VAL 80 -16.871 11.643 -7.621 568 1HG1 VAL 80 1HG1 VAL 80 -16.110 13.931 -7.618 569 2HG1 VAL 80 2HG1 VAL 80 -16.865 13.617 -9.180 570 3HG1 VAL 80 3HG1 VAL 80 -15.108 13.654 -9.042 571 1HG2 VAL 80 1HG2 VAL 80 -15.670 10.122 -9.427 572 2HG2 VAL 80 2HG2 VAL 80 -15.598 11.632 -10.334 573 3HG2 VAL 80 3HG2 VAL 80 -17.157 10.980 -9.828 574 H MET 81 H MET 81 -13.450 13.678 -7.244 575 HA MET 81 HA MET 81 -11.905 13.600 -9.679 576 1HB MET 81 1HB MET 81 -11.930 15.271 -7.174 577 2HB MET 81 2HB MET 81 -12.224 15.765 -8.836 578 1HG MET 81 1HG MET 81 -9.757 15.193 -9.267 579 2HG MET 81 2HG MET 81 -9.597 15.136 -7.513 580 1HE MET 81 1HE MET 81 -7.861 18.196 -7.705 581 2HE MET 81 2HE MET 81 -8.051 16.507 -7.242 582 3HE MET 81 3HE MET 81 -8.803 17.770 -6.270 583 H MET 82 H MET 82 -11.307 12.721 -6.289 584 HA MET 82 HA MET 82 -8.524 11.966 -6.732 585 1HB MET 82 1HB MET 82 -10.325 10.968 -4.510 586 2HB MET 82 2HB MET 82 -9.603 12.576 -4.481 587 1HG MET 82 1HG MET 82 -8.016 10.010 -4.790 588 2HG MET 82 2HG MET 82 -8.257 10.840 -3.254 589 1HE MET 82 1HE MET 82 -5.469 11.601 -6.634 590 2HE MET 82 2HE MET 82 -6.662 10.337 -6.346 591 3HE MET 82 3HE MET 82 -5.214 10.416 -5.345 592 H VAL 83 H VAL 83 -11.650 10.444 -7.096 593 HA VAL 83 HA VAL 83 -10.783 7.702 -7.126 594 HB VAL 83 HB VAL 83 -13.235 9.228 -7.943 595 1HG1 VAL 83 1HG1 VAL 83 -12.547 6.414 -8.827 596 2HG1 VAL 83 2HG1 VAL 83 -13.079 7.763 -9.831 597 3HG1 VAL 83 3HG1 VAL 83 -14.208 6.996 -8.714 598 1HG2 VAL 83 1HG2 VAL 83 -13.547 8.546 -5.792 599 2HG2 VAL 83 2HG2 VAL 83 -12.379 7.231 -5.930 600 3HG2 VAL 83 3HG2 VAL 83 -14.016 7.025 -6.550 601 NH1 ARG 84 NH1 ARG 84 -11.071 15.900 -13.237 602 NH2 ARG 84 NH2 ARG 84 -8.822 15.653 -13.070 603 H ARG 84 H ARG 84 -11.142 10.199 -9.659 604 HA ARG 84 HA ARG 84 -10.463 8.342 -11.812 605 1HB ARG 84 1HB ARG 84 -11.872 10.283 -12.289 606 2HB ARG 84 2HB ARG 84 -10.382 10.387 -13.224 607 1HG ARG 84 1HG ARG 84 -9.538 11.746 -11.107 608 2HG ARG 84 2HG ARG 84 -11.264 12.011 -10.862 609 1HD ARG 84 1HD ARG 84 -11.447 12.898 -13.163 610 2HD ARG 84 2HD ARG 84 -9.717 12.641 -13.396 611 HE ARG 84 HE ARG 84 -10.149 14.261 -11.062 612 1HH1 ARG 84 1HH1 ARG 84 -8.689 16.465 -13.641 613 2HH1 ARG 84 2HH1 ARG 84 -8.028 15.154 -12.721 614 1HH2 ARG 84 1HH2 ARG 84 -11.995 15.586 -13.014 615 2HH2 ARG 84 2HH2 ARG 84 -10.943 16.710 -13.807 616 H GLN 85 H GLN 85 -8.573 9.673 -9.403 617 HA GLN 85 HA GLN 85 -6.161 9.821 -11.156 618 1HB GLN 85 1HB GLN 85 -5.171 10.977 -9.070 619 2HB GLN 85 2HB GLN 85 -6.839 11.097 -8.506 620 1HG GLN 85 1HG GLN 85 -7.429 12.234 -10.657 621 2HG GLN 85 2HG GLN 85 -5.720 12.210 -11.098 622 1HE2 GLN 85 1HE2 GLN 85 -8.077 14.130 -9.643 623 2HE2 GLN 85 2HE2 GLN 85 -7.062 15.159 -8.755 624 H MET 86 H MET 86 -7.627 8.184 -8.411 625 HA MET 86 HA MET 86 -5.100 6.749 -7.825 626 1HB MET 86 1HB MET 86 -7.682 6.081 -6.469 627 2HB MET 86 2HB MET 86 -6.937 7.640 -6.116 628 1HG MET 86 1HG MET 86 -4.870 6.550 -5.435 629 2HG MET 86 2HG MET 86 -5.498 4.976 -5.925 630 1HE MET 86 1HE MET 86 -5.897 7.082 -2.008 631 2HE MET 86 2HE MET 86 -5.915 8.025 -3.497 632 3HE MET 86 3HE MET 86 -4.569 6.935 -3.169 633 H LYS 87 H LYS 87 -7.373 6.418 -10.161 634 HA LYS 87 HA LYS 87 -7.792 3.511 -9.895 635 1HB LYS 87 1HB LYS 87 -8.911 3.950 -12.227 636 2HB LYS 87 2HB LYS 87 -8.804 5.643 -11.745 637 1HG LYS 87 1HG LYS 87 -9.934 4.970 -9.570 638 2HG LYS 87 2HG LYS 87 -10.233 3.396 -10.303 639 1HD LYS 87 1HD LYS 87 -11.022 5.875 -11.801 640 2HD LYS 87 2HD LYS 87 -12.046 5.317 -10.478 641 1HE LYS 87 1HE LYS 87 -12.654 3.382 -11.586 642 2HE LYS 87 2HE LYS 87 -11.136 3.291 -12.479 643 1HZ LYS 87 1HZ LYS 87 -12.943 3.884 -13.944 644 2HZ LYS 87 2HZ LYS 87 -11.864 5.190 -13.808 645 3HZ LYS 87 3HZ LYS 87 -13.345 5.215 -12.974 646 H GLU 88 H GLU 88 -6.725 5.488 -12.657 647 HA GLU 88 HA GLU 88 -5.064 3.236 -13.589 648 1HB GLU 88 1HB GLU 88 -5.184 5.886 -14.990 649 2HB GLU 88 2HB GLU 88 -6.590 4.821 -15.030 650 1HG GLU 88 1HG GLU 88 -5.331 3.059 -16.060 651 2HG GLU 88 2HG GLU 88 -3.803 3.884 -15.755 652 H ASP 89 H ASP 89 -4.549 6.684 -12.783 653 HA ASP 89 HA ASP 89 -1.732 6.688 -13.171 654 1HB ASP 89 1HB ASP 89 -3.253 8.343 -11.138 655 2HB ASP 89 2HB ASP 89 -3.170 8.726 -12.856 656 H ALA 90 H ALA 90 -3.507 6.358 -10.047 657 HA ALA 90 HA ALA 90 -1.068 5.566 -8.658 658 1HB ALA 90 1HB ALA 90 -3.082 6.733 -7.605 659 2HB ALA 90 2HB ALA 90 -2.438 5.356 -6.710 660 3HB ALA 90 3HB ALA 90 -3.903 5.173 -7.675 661 H LYS 91 H LYS 91 -0.179 3.604 -9.177 662 HA LYS 91 HA LYS 91 -1.733 1.365 -10.167 663 1HB LYS 91 1HB LYS 91 1.066 1.268 -9.002 664 2HB LYS 91 2HB LYS 91 0.730 1.804 -10.647 665 1HG LYS 91 1HG LYS 91 -0.400 -0.818 -9.728 666 2HG LYS 91 2HG LYS 91 1.311 -0.734 -10.146 667 1HD LYS 91 1HD LYS 91 0.877 -0.227 -12.377 668 2HD LYS 91 2HD LYS 91 -0.708 0.459 -12.019 669 1HE LYS 91 1HE LYS 91 -1.354 -1.950 -11.306 670 2HE LYS 91 2HE LYS 91 0.094 -2.446 -12.181 671 1HZ LYS 91 1HZ LYS 91 -1.831 -2.518 -13.616 672 2HZ LYS 91 2HZ LYS 91 -0.764 -1.307 -14.146 673 3HZ LYS 91 3HZ LYS 91 -2.177 -0.888 -13.297 674 H GLY 92 H GLY 92 0.077 1.871 -7.123 675 1HA GLY 92 1HA GLY 92 -0.725 -0.419 -5.729 676 2HA GLY 92 2HA GLY 92 -2.022 0.753 -5.486 677 H LYS 93 H LYS 93 -0.418 3.126 -5.442 678 HA LYS 93 HA LYS 93 1.826 3.013 -3.723 679 1HB LYS 93 1HB LYS 93 1.067 4.997 -5.083 680 2HB LYS 93 2HB LYS 93 1.548 5.374 -3.439 681 1HG LYS 93 1HG LYS 93 -1.321 4.747 -3.736 682 2HG LYS 93 2HG LYS 93 -0.799 6.195 -4.591 683 1HD LYS 93 1HD LYS 93 0.357 6.029 -1.914 684 2HD LYS 93 2HD LYS 93 -1.406 6.019 -1.874 685 1HE LYS 93 1HE LYS 93 -1.006 7.975 -3.701 686 2HE LYS 93 2HE LYS 93 0.460 8.166 -2.739 687 1HZ LYS 93 1HZ LYS 93 -0.935 8.269 -0.745 688 2HZ LYS 93 2HZ LYS 93 -2.327 8.165 -1.713 689 3HZ LYS 93 3HZ LYS 93 -1.302 9.514 -1.838 690 H SER 94 H SER 94 -1.641 3.113 -2.940 691 HA SER 94 HA SER 94 -1.248 3.469 -0.087 692 1HB SER 94 1HB SER 94 -3.634 2.699 0.059 693 2HB SER 94 2HB SER 94 -3.597 2.383 -1.673 694 HG SER 94 HG SER 94 -4.410 4.496 -1.039 695 H GLU 95 H GLU 95 -1.929 0.646 -2.171 696 HA GLU 95 HA GLU 95 -1.743 -1.277 -0.010 697 1HB GLU 95 1HB GLU 95 -1.569 -2.926 -1.956 698 2HB GLU 95 2HB GLU 95 -1.720 -1.527 -3.021 699 1HG GLU 95 1HG GLU 95 -3.833 -0.929 -1.724 700 2HG GLU 95 2HG GLU 95 -3.714 -2.519 -0.964 701 H GLU 96 H GLU 96 0.703 0.560 -1.369 702 HA GLU 96 HA GLU 96 2.800 -1.233 -1.933 703 1HB GLU 96 1HB GLU 96 3.275 1.328 -0.417 704 2HB GLU 96 2HB GLU 96 2.727 1.355 -2.094 705 1HG GLU 96 1HG GLU 96 4.679 -0.224 -2.601 706 2HG GLU 96 2HG GLU 96 5.277 0.159 -0.986 707 H GLU 97 H GLU 97 1.455 -0.328 1.196 708 HA GLU 97 HA GLU 97 3.592 -1.090 2.897 709 1HB GLU 97 1HB GLU 97 1.313 -1.888 4.256 710 2HB GLU 97 2HB GLU 97 0.693 -0.677 3.135 711 1HG GLU 97 1HG GLU 97 2.435 0.910 3.911 712 2HG GLU 97 2HG GLU 97 3.012 -0.301 5.058 713 H LEU 98 H LEU 98 0.732 -3.111 2.084 714 HA LEU 98 HA LEU 98 2.020 -5.545 2.975 715 1HB LEU 98 1HB LEU 98 -0.443 -5.283 2.972 716 2HB LEU 98 2HB LEU 98 0.060 -6.694 2.048 717 HG LEU 98 HG LEU 98 0.059 -4.725 0.121 718 1HD1 LEU 98 1HD1 LEU 98 -2.424 -5.735 -0.188 719 2HD1 LEU 98 2HD1 LEU 98 -1.781 -6.895 0.975 720 3HD1 LEU 98 3HD1 LEU 98 -0.966 -6.651 -0.569 721 1HD2 LEU 98 1HD2 LEU 98 -1.531 -3.131 0.500 722 2HD2 LEU 98 2HD2 LEU 98 -1.229 -3.492 2.199 723 3HD2 LEU 98 3HD2 LEU 98 -2.585 -4.250 1.363 724 H ALA 99 H ALA 99 2.046 -3.781 -0.027 725 HA ALA 99 HA ALA 99 2.673 -5.921 -1.827 726 1HB ALA 99 1HB ALA 99 3.338 -4.222 -3.366 727 2HB ALA 99 2HB ALA 99 3.712 -3.089 -2.068 728 3HB ALA 99 3HB ALA 99 2.035 -3.507 -2.418 729 H ASN 100 H ASN 100 4.665 -3.947 0.337 730 HA ASN 100 HA ASN 100 7.228 -4.805 -0.625 731 1HB ASN 100 1HB ASN 100 7.925 -4.235 1.808 732 2HB ASN 100 2HB ASN 100 6.248 -3.741 2.033 733 1HD2 ASN 100 1HD2 ASN 100 6.376 -1.465 2.013 734 2HD2 ASN 100 2HD2 ASN 100 7.096 -0.559 0.771 735 H CYS 101 H CYS 101 5.061 -6.046 1.933 736 HA CYS 101 HA CYS 101 6.737 -8.249 2.723 737 1HB CYS 101 1HB CYS 101 4.480 -9.232 3.498 738 2HB CYS 101 2HB CYS 101 3.763 -7.728 2.919 739 HG CYS 101 HG CYS 101 4.521 -7.584 5.510 740 H PHE 102 H PHE 102 4.233 -7.847 0.242 741 HA PHE 102 HA PHE 102 3.987 -10.546 -0.615 742 1HB PHE 102 1HB PHE 102 3.852 -8.014 -2.292 743 2HB PHE 102 2HB PHE 102 2.514 -8.682 -1.365 744 HD1 PHE 102 HD1 PHE 102 4.524 -8.972 -4.399 745 HD2 PHE 102 HD2 PHE 102 1.513 -10.879 -2.002 746 HE1 PHE 102 HE1 PHE 102 3.926 -10.429 -6.311 747 HE2 PHE 102 HE2 PHE 102 0.916 -12.338 -3.916 748 HZ PHE 102 HZ PHE 102 2.107 -12.116 -6.074 749 NH1 ARG 103 NH1 ARG 103 10.837 -4.350 -5.585 750 NH2 ARG 103 NH2 ARG 103 11.506 -6.354 -4.760 751 H ARG 103 H ARG 103 6.194 -7.959 -1.769 752 HA ARG 103 HA ARG 103 7.607 -9.648 -3.633 753 1HB ARG 103 1HB ARG 103 9.404 -7.821 -3.402 754 2HB ARG 103 2HB ARG 103 8.290 -7.028 -2.287 755 1HG ARG 103 1HG ARG 103 6.568 -6.937 -4.017 756 2HG ARG 103 2HG ARG 103 7.597 -7.843 -5.128 757 1HD ARG 103 1HD ARG 103 8.541 -5.247 -3.913 758 2HD ARG 103 2HD ARG 103 7.522 -5.252 -5.353 759 HE ARG 103 HE ARG 103 9.335 -6.707 -6.404 760 1HH1 ARG 103 1HH1 ARG 103 12.398 -5.963 -4.529 761 2HH1 ARG 103 2HH1 ARG 103 11.317 -7.316 -4.560 762 1HH2 ARG 103 1HH2 ARG 103 10.135 -3.780 -6.015 763 2HH2 ARG 103 2HH2 ARG 103 11.727 -3.956 -5.355 764 H ILE 104 H ILE 104 8.150 -8.853 -0.206 765 HA ILE 104 HA ILE 104 10.726 -10.053 0.061 766 HB ILE 104 HB ILE 104 8.466 -9.723 2.061 767 1HG1 ILE 104 1HG1 ILE 104 9.727 -7.717 0.957 768 2HG1 ILE 104 2HG1 ILE 104 11.077 -8.217 1.974 769 1HG2 ILE 104 1HG2 ILE 104 10.353 -10.022 3.749 770 2HG2 ILE 104 2HG2 ILE 104 11.321 -10.667 2.423 771 3HG2 ILE 104 3HG2 ILE 104 9.841 -11.490 2.916 772 1HD1 ILE 104 1HD1 ILE 104 8.410 -7.104 2.762 773 2HD1 ILE 104 2HD1 ILE 104 10.009 -6.740 3.410 774 3HD1 ILE 104 3HD1 ILE 104 9.197 -8.240 3.857 775 H PHE 105 H PHE 105 7.493 -11.460 -0.087 776 HA PHE 105 HA PHE 105 8.253 -14.067 0.917 777 1HB PHE 105 1HB PHE 105 6.092 -14.765 -0.286 778 2HB PHE 105 2HB PHE 105 5.898 -13.060 -0.687 779 HD1 PHE 105 HD1 PHE 105 7.030 -14.929 2.381 780 HD2 PHE 105 HD2 PHE 105 4.358 -12.018 0.695 781 HE1 PHE 105 HE1 PHE 105 6.073 -14.502 4.629 782 HE2 PHE 105 HE2 PHE 105 3.404 -11.591 2.942 783 HZ PHE 105 HZ PHE 105 4.261 -12.833 4.909 784 H ASP 106 H ASP 106 8.017 -12.640 -2.368 785 HA ASP 106 HA ASP 106 8.988 -15.207 -3.488 786 1HB ASP 106 1HB ASP 106 7.336 -14.317 -4.913 787 2HB ASP 106 2HB ASP 106 8.844 -13.889 -5.714 788 H LYS 107 H LYS 107 11.138 -15.461 -3.030 789 HA LYS 107 HA LYS 107 13.017 -13.259 -2.943 790 1HB LYS 107 1HB LYS 107 14.752 -14.972 -2.743 791 2HB LYS 107 2HB LYS 107 13.609 -16.220 -3.229 792 1HG LYS 107 1HG LYS 107 12.205 -15.246 -1.194 793 2HG LYS 107 2HG LYS 107 13.790 -14.698 -0.652 794 1HD LYS 107 1HD LYS 107 14.310 -17.296 -1.414 795 2HD LYS 107 2HD LYS 107 12.675 -17.425 -0.763 796 1HE LYS 107 1HE LYS 107 13.416 -16.308 1.313 797 2HE LYS 107 2HE LYS 107 15.049 -16.178 0.660 798 1HZ LYS 107 1HZ LYS 107 14.929 -18.090 2.066 799 2HZ LYS 107 2HZ LYS 107 15.065 -18.627 0.460 800 3HZ LYS 107 3HZ LYS 107 13.562 -18.680 1.253 801 H ASN 108 H ASN 108 11.587 -14.865 -5.574 802 HA ASN 108 HA ASN 108 13.901 -14.594 -7.377 803 1HB ASN 108 1HB ASN 108 12.239 -15.335 -9.119 804 2HB ASN 108 2HB ASN 108 11.011 -15.391 -7.856 805 1HD2 ASN 108 1HD2 ASN 108 12.197 -17.659 -9.476 806 2HD2 ASN 108 2HD2 ASN 108 12.804 -18.752 -8.328 807 H ALA 109 H ALA 109 11.090 -12.748 -6.403 808 HA ALA 109 HA ALA 109 10.364 -10.608 -6.982 809 1HB ALA 109 1HB ALA 109 12.003 -9.026 -7.615 810 2HB ALA 109 2HB ALA 109 12.967 -10.233 -8.464 811 3HB ALA 109 3HB ALA 109 12.908 -10.233 -6.702 812 H ASP 110 H ASP 110 9.301 -12.518 -8.572 813 HA ASP 110 HA ASP 110 9.632 -11.551 -11.381 814 1HB ASP 110 1HB ASP 110 8.040 -13.988 -10.634 815 2HB ASP 110 2HB ASP 110 9.801 -14.073 -10.646 816 H GLY 111 H GLY 111 7.283 -11.950 -8.769 817 1HA GLY 111 1HA GLY 111 5.117 -10.897 -10.514 818 2HA GLY 111 2HA GLY 111 5.548 -9.985 -9.072 819 H PHE 112 H PHE 112 5.808 -13.451 -8.866 820 HA PHE 112 HA PHE 112 3.417 -13.468 -7.084 821 1HB PHE 112 1HB PHE 112 2.548 -15.468 -8.032 822 2HB PHE 112 2HB PHE 112 4.018 -15.765 -8.952 823 HD1 PHE 112 HD1 PHE 112 4.252 -14.938 -11.157 824 HD2 PHE 112 HD2 PHE 112 1.155 -13.391 -8.615 825 HE1 PHE 112 HE1 PHE 112 3.299 -13.687 -13.076 826 HE2 PHE 112 HE2 PHE 112 0.203 -12.142 -10.532 827 HZ PHE 112 HZ PHE 112 1.274 -12.290 -12.764 828 H ILE 113 H ILE 113 3.487 -15.225 -5.504 829 HA ILE 113 HA ILE 113 6.282 -15.926 -4.766 830 HB ILE 113 HB ILE 113 3.668 -16.090 -3.223 831 1HG1 ILE 113 1HG1 ILE 113 6.015 -14.203 -3.269 832 2HG1 ILE 113 2HG1 ILE 113 5.084 -14.415 -1.789 833 1HG2 ILE 113 1HG2 ILE 113 6.498 -16.863 -2.460 834 2HG2 ILE 113 2HG2 ILE 113 5.060 -17.885 -2.431 835 3HG2 ILE 113 3HG2 ILE 113 5.228 -16.566 -1.273 836 1HD1 ILE 113 1HD1 ILE 113 3.043 -14.072 -3.483 837 2HD1 ILE 113 2HD1 ILE 113 4.276 -13.186 -4.380 838 3HD1 ILE 113 3HD1 ILE 113 3.868 -12.706 -2.732 839 H ASP 114 H ASP 114 6.992 -18.053 -4.666 840 HA ASP 114 HA ASP 114 5.174 -20.102 -5.843 841 1HB ASP 114 1HB ASP 114 7.126 -21.354 -6.395 842 2HB ASP 114 2HB ASP 114 8.127 -20.413 -5.296 843 H ILE 115 H ILE 115 5.000 -22.186 -4.837 844 HA ILE 115 HA ILE 115 4.732 -22.121 -1.980 845 HB ILE 115 HB ILE 115 3.404 -23.626 -3.437 846 1HG1 ILE 115 1HG1 ILE 115 3.552 -24.242 -1.126 847 2HG1 ILE 115 2HG1 ILE 115 5.162 -24.924 -1.342 848 1HG2 ILE 115 1HG2 ILE 115 5.385 -24.143 -4.969 849 2HG2 ILE 115 2HG2 ILE 115 4.356 -25.511 -4.548 850 3HG2 ILE 115 3HG2 ILE 115 5.908 -25.295 -3.741 851 1HD1 ILE 115 1HD1 ILE 115 3.084 -26.525 -1.282 852 2HD1 ILE 115 2HD1 ILE 115 4.354 -26.801 -2.473 853 3HD1 ILE 115 3HD1 ILE 115 2.860 -25.995 -2.948 854 H GLU 116 H GLU 116 7.162 -23.501 -4.156 855 HA GLU 116 HA GLU 116 8.813 -24.655 -2.101 856 1HB GLU 116 1HB GLU 116 9.052 -25.340 -4.443 857 2HB GLU 116 2HB GLU 116 10.583 -24.714 -3.840 858 1HG GLU 116 1HG GLU 116 8.999 -22.555 -4.953 859 2HG GLU 116 2HG GLU 116 9.169 -23.855 -6.131 860 H GLU 117 H GLU 117 8.532 -21.410 -3.428 861 HA GLU 117 HA GLU 117 10.994 -20.347 -2.397 862 1HB GLU 117 1HB GLU 117 9.507 -18.151 -2.442 863 2HB GLU 117 2HB GLU 117 8.379 -19.188 -3.312 864 1HG GLU 117 1HG GLU 117 9.862 -18.012 -4.888 865 2HG GLU 117 2HG GLU 117 10.161 -19.748 -4.939 866 H LEU 118 H LEU 118 7.700 -20.613 -1.050 867 HA LEU 118 HA LEU 118 8.323 -19.212 1.409 868 1HB LEU 118 1HB LEU 118 6.123 -21.250 0.991 869 2HB LEU 118 2HB LEU 118 6.004 -19.576 0.452 870 HG LEU 118 HG LEU 118 6.763 -20.178 3.302 871 1HD1 LEU 118 1HD1 LEU 118 5.738 -17.885 1.693 872 2HD1 LEU 118 2HD1 LEU 118 6.912 -17.901 3.009 873 3HD1 LEU 118 3HD1 LEU 118 5.187 -18.001 3.364 874 1HD2 LEU 118 1HD2 LEU 118 3.995 -20.250 2.078 875 2HD2 LEU 118 2HD2 LEU 118 4.262 -19.938 3.793 876 3HD2 LEU 118 3HD2 LEU 118 4.765 -21.474 3.089 877 H GLY 119 H GLY 119 8.600 -22.583 0.383 878 1HA GLY 119 1HA GLY 119 9.614 -24.414 1.439 879 2HA GLY 119 2HA GLY 119 8.773 -23.875 2.888 880 H GLU 120 H GLU 120 11.452 -22.437 0.967 881 HA GLU 120 HA GLU 120 13.461 -22.955 2.959 882 1HB GLU 120 1HB GLU 120 14.650 -20.992 1.731 883 2HB GLU 120 2HB GLU 120 13.293 -21.079 0.606 884 1HG GLU 120 1HG GLU 120 15.044 -22.494 -0.268 885 2HG GLU 120 2HG GLU 120 13.783 -23.554 0.361 886 H ILE 121 H ILE 121 11.187 -20.278 2.480 887 HA ILE 121 HA ILE 121 12.406 -18.413 4.276 888 HB ILE 121 HB ILE 121 9.482 -18.814 3.556 889 1HG1 ILE 121 1HG1 ILE 121 11.215 -18.207 1.749 890 2HG1 ILE 121 2HG1 ILE 121 11.394 -16.672 2.598 891 1HG2 ILE 121 1HG2 ILE 121 9.363 -16.356 4.305 892 2HG2 ILE 121 2HG2 ILE 121 10.905 -16.646 5.113 893 3HG2 ILE 121 3HG2 ILE 121 9.476 -17.565 5.584 894 1HD1 ILE 121 1HD1 ILE 121 9.324 -17.489 0.765 895 2HD1 ILE 121 2HD1 ILE 121 9.577 -15.910 1.508 896 3HD1 ILE 121 3HD1 ILE 121 8.606 -17.127 2.335 897 H LEU 122 H LEU 122 10.051 -21.046 4.829 898 HA LEU 122 HA LEU 122 9.736 -20.496 7.654 899 1HB LEU 122 1HB LEU 122 9.096 -23.123 7.468 900 2HB LEU 122 2HB LEU 122 8.954 -22.658 5.773 901 HG LEU 122 HG LEU 122 7.570 -20.647 6.661 902 1HD1 LEU 122 1HD1 LEU 122 6.813 -22.923 5.549 903 2HD1 LEU 122 2HD1 LEU 122 5.615 -21.851 6.275 904 3HD1 LEU 122 3HD1 LEU 122 6.187 -23.263 7.162 905 1HD2 LEU 122 1HD2 LEU 122 7.641 -22.499 9.057 906 2HD2 LEU 122 2HD2 LEU 122 6.350 -21.322 8.812 907 3HD2 LEU 122 3HD2 LEU 122 8.015 -20.775 9.007 908 NH1 ARG 123 NH1 ARG 123 16.860 -27.426 6.495 909 NH2 ARG 123 NH2 ARG 123 15.887 -29.395 7.068 910 H ARG 123 H ARG 123 11.738 -22.855 5.843 911 HA ARG 123 HA ARG 123 12.967 -23.963 8.216 912 1HB ARG 123 1HB ARG 123 14.753 -24.617 6.341 913 2HB ARG 123 2HB ARG 123 13.438 -24.132 5.271 914 1HG ARG 123 1HG ARG 123 12.725 -26.277 5.574 915 2HG ARG 123 2HG ARG 123 12.087 -25.656 7.095 916 1HD ARG 123 1HD ARG 123 13.347 -27.343 7.992 917 2HD ARG 123 2HD ARG 123 14.656 -26.174 7.825 918 HE ARG 123 HE ARG 123 14.190 -27.902 5.481 919 1HH1 ARG 123 1HH1 ARG 123 17.759 -27.802 6.724 920 2HH1 ARG 123 2HH1 ARG 123 16.783 -26.486 6.163 921 1HH2 ARG 123 1HH2 ARG 123 15.067 -29.956 7.172 922 2HH2 ARG 123 2HH2 ARG 123 16.784 -29.774 7.297 923 H ALA 124 H ALA 124 13.688 -21.169 6.198 924 HA ALA 124 HA ALA 124 16.423 -20.776 6.850 925 1HB ALA 124 1HB ALA 124 15.471 -19.441 5.114 926 2HB ALA 124 2HB ALA 124 15.888 -18.321 6.412 927 3HB ALA 124 3HB ALA 124 14.213 -18.823 6.184 928 H THR 125 H THR 125 13.512 -20.035 8.739 929 HA THR 125 HA THR 125 15.013 -18.451 10.694 930 HB THR 125 HB THR 125 12.621 -17.984 10.181 931 HG1 THR 125 HG1 THR 125 12.921 -17.179 12.096 932 1HG2 THR 125 1HG2 THR 125 11.496 -20.033 11.876 933 2HG2 THR 125 2HG2 THR 125 12.365 -20.769 10.531 934 3HG2 THR 125 3HG2 THR 125 11.073 -19.610 10.217 935 H GLY 126 H GLY 126 15.046 -21.703 10.137 936 1HA GLY 126 1HA GLY 126 16.221 -22.328 12.675 937 2HA GLY 126 2HA GLY 126 15.772 -23.504 11.442 938 H GLU 127 H GLU 127 12.915 -22.351 11.565 939 HA GLU 127 HA GLU 127 11.925 -22.892 14.233 940 1HB GLU 127 1HB GLU 127 9.786 -23.271 12.467 941 2HB GLU 127 2HB GLU 127 10.819 -22.093 11.655 942 1HG GLU 127 1HG GLU 127 10.815 -20.677 13.658 943 2HG GLU 127 2HG GLU 127 9.859 -21.876 14.528 944 H HIS 128 H HIS 128 10.207 -24.668 14.560 945 HA HIS 128 HA HIS 128 11.302 -27.226 13.478 946 1HB HIS 128 1HB HIS 128 11.395 -27.157 15.892 947 2HB HIS 128 2HB HIS 128 10.115 -28.277 15.440 948 HD1 HIS 128 HD1 HIS 128 7.666 -27.574 15.938 949 HD2 HIS 128 HD2 HIS 128 10.485 -24.736 17.113 950 HE1 HIS 128 HE1 HIS 128 6.441 -25.908 17.398 951 H VAL 129 H VAL 129 9.685 -25.912 11.698 952 HA VAL 129 HA VAL 129 6.921 -26.893 11.977 953 HB VAL 129 HB VAL 129 7.308 -24.696 10.971 954 1HG1 VAL 129 1HG1 VAL 129 9.078 -24.383 9.618 955 2HG1 VAL 129 2HG1 VAL 129 8.266 -25.349 8.387 956 3HG1 VAL 129 3HG1 VAL 129 9.359 -26.121 9.534 957 1HG2 VAL 129 1HG2 VAL 129 5.875 -24.935 9.052 958 2HG2 VAL 129 2HG2 VAL 129 5.386 -26.152 10.230 959 3HG2 VAL 129 3HG2 VAL 129 6.360 -26.617 8.835 960 H ILE 130 H ILE 130 5.940 -28.283 10.354 961 HA ILE 130 HA ILE 130 7.874 -30.305 9.302 962 HB ILE 130 HB ILE 130 5.490 -31.557 9.048 963 1HG1 ILE 130 1HG1 ILE 130 4.385 -29.494 10.123 964 2HG1 ILE 130 2HG1 ILE 130 5.148 -30.012 11.626 965 1HG2 ILE 130 1HG2 ILE 130 6.132 -32.847 10.921 966 2HG2 ILE 130 2HG2 ILE 130 6.854 -31.459 11.737 967 3HG2 ILE 130 3HG2 ILE 130 7.647 -32.167 10.329 968 1HD1 ILE 130 1HD1 ILE 130 3.336 -31.757 9.928 969 2HD1 ILE 130 2HD1 ILE 130 2.811 -30.879 11.364 970 3HD1 ILE 130 3HD1 ILE 130 4.008 -32.166 11.506 971 H GLU 131 H GLU 131 7.789 -30.927 7.131 972 HA GLU 131 HA GLU 131 6.779 -29.015 5.242 973 1HB GLU 131 1HB GLU 131 8.711 -30.385 4.679 974 2HB GLU 131 2HB GLU 131 7.416 -30.737 3.544 975 1HG GLU 131 1HG GLU 131 6.810 -32.635 5.277 976 2HG GLU 131 2HG GLU 131 8.488 -32.432 5.775 977 H GLU 132 H GLU 132 5.414 -31.909 6.686 978 HA GLU 132 HA GLU 132 3.312 -32.324 4.755 979 1HB GLU 132 1HB GLU 132 2.184 -33.423 6.848 980 2HB GLU 132 2HB GLU 132 3.743 -33.140 7.625 981 1HG GLU 132 1HG GLU 132 4.025 -35.287 6.732 982 2HG GLU 132 2HG GLU 132 4.722 -34.273 5.469 983 H ASP 133 H ASP 133 3.705 -30.215 7.568 984 HA ASP 133 HA ASP 133 0.887 -29.377 7.537 985 1HB ASP 133 1HB ASP 133 3.132 -27.938 8.955 986 2HB ASP 133 2HB ASP 133 2.469 -29.445 9.587 987 H ILE 134 H ILE 134 4.024 -28.089 6.436 988 HA ILE 134 HA ILE 134 3.008 -25.518 5.611 989 HB ILE 134 HB ILE 134 5.410 -27.026 4.520 990 1HG1 ILE 134 1HG1 ILE 134 5.235 -26.563 7.081 991 2HG1 ILE 134 2HG1 ILE 134 5.454 -24.873 6.636 992 1HG2 ILE 134 1HG2 ILE 134 6.185 -24.624 4.108 993 2HG2 ILE 134 2HG2 ILE 134 4.522 -24.133 4.431 994 3HG2 ILE 134 3HG2 ILE 134 4.878 -25.195 3.069 995 1HD1 ILE 134 1HD1 ILE 134 7.667 -25.183 6.343 996 2HD1 ILE 134 2HD1 ILE 134 7.380 -26.533 5.247 997 3HD1 ILE 134 3HD1 ILE 134 7.470 -26.814 6.986 998 H GLU 135 H GLU 135 3.721 -28.503 3.746 999 HA GLU 135 HA GLU 135 2.787 -27.558 1.230 1000 1HB GLU 135 1HB GLU 135 2.366 -30.425 2.010 1001 2HB GLU 135 2HB GLU 135 4.014 -29.800 1.925 1002 1HG GLU 135 1HG GLU 135 3.686 -29.118 -0.387 1003 2HG GLU 135 2HG GLU 135 1.979 -29.560 -0.314 1004 H ASP 136 H ASP 136 1.032 -29.237 3.851 1005 HA ASP 136 HA ASP 136 -1.490 -29.403 2.502 1006 1HB ASP 136 1HB ASP 136 -0.978 -29.195 5.485 1007 2HB ASP 136 2HB ASP 136 -0.892 -30.693 4.558 1008 H LEU 137 H LEU 137 -0.038 -26.874 4.547 1009 HA LEU 137 HA LEU 137 -2.365 -25.227 4.791 1010 1HB LEU 137 1HB LEU 137 0.504 -24.261 4.671 1011 2HB LEU 137 2HB LEU 137 -0.198 -25.018 6.099 1012 HG LEU 137 HG LEU 137 -1.552 -22.669 4.779 1013 1HD1 LEU 137 1HD1 LEU 137 -1.462 -23.594 7.665 1014 2HD1 LEU 137 2HD1 LEU 137 -2.707 -24.087 6.518 1015 3HD1 LEU 137 3HD1 LEU 137 -2.544 -22.389 6.966 1016 1HD2 LEU 137 1HD2 LEU 137 0.671 -21.845 5.204 1017 2HD2 LEU 137 2HD2 LEU 137 0.727 -22.641 6.778 1018 3HD2 LEU 137 3HD2 LEU 137 -0.349 -21.267 6.522 1019 H MET 138 H MET 138 0.197 -25.357 2.317 1020 HA MET 138 HA MET 138 -0.710 -23.063 0.829 1021 1HB MET 138 1HB MET 138 0.800 -25.468 -0.236 1022 2HB MET 138 2HB MET 138 1.565 -24.131 0.622 1023 1HG MET 138 1HG MET 138 -0.212 -23.412 -1.661 1024 2HG MET 138 2HG MET 138 1.323 -24.181 -2.064 1025 1HE MET 138 1HE MET 138 0.678 -21.078 -2.993 1026 2HE MET 138 2HE MET 138 1.880 -22.299 -3.402 1027 3HE MET 138 3HE MET 138 2.401 -20.703 -2.869 1028 H LYS 139 H LYS 139 -1.204 -26.581 0.281 1029 HA LYS 139 HA LYS 139 -2.924 -26.295 -1.981 1030 1HB LYS 139 1HB LYS 139 -1.849 -28.425 -1.421 1031 2HB LYS 139 2HB LYS 139 -3.596 -28.631 -1.525 1032 1HG LYS 139 1HG LYS 139 -3.499 -28.125 1.069 1033 2HG LYS 139 2HG LYS 139 -1.821 -28.640 0.900 1034 1HD LYS 139 1HD LYS 139 -2.728 -30.712 1.251 1035 2HD LYS 139 2HD LYS 139 -3.054 -30.619 -0.481 1036 1HE LYS 139 1HE LYS 139 -5.308 -29.776 -0.043 1037 2HE LYS 139 2HE LYS 139 -4.984 -29.741 1.690 1038 1HZ LYS 139 1HZ LYS 139 -4.895 -32.192 0.017 1039 2HZ LYS 139 2HZ LYS 139 -6.223 -31.725 0.968 1040 3HZ LYS 139 3HZ LYS 139 -4.741 -32.109 1.706 1041 H ASP 140 H ASP 140 -3.598 -25.655 1.348 1042 HA ASP 140 HA ASP 140 -6.533 -25.894 0.866 1043 1HB ASP 140 1HB ASP 140 -6.579 -25.426 3.418 1044 2HB ASP 140 2HB ASP 140 -4.851 -25.771 3.367 1045 H SER 141 H SER 141 -4.003 -23.564 1.079 1046 HA SER 141 HA SER 141 -5.822 -21.369 1.846 1047 1HB SER 141 1HB SER 141 -3.696 -19.985 1.460 1048 2HB SER 141 2HB SER 141 -2.866 -21.525 1.260 1049 HG SER 141 HG SER 141 -3.130 -20.459 3.483 1050 H ASP 142 H ASP 142 -4.343 -22.708 -1.081 1051 HA ASP 142 HA ASP 142 -4.852 -20.352 -2.688 1052 1HB ASP 142 1HB ASP 142 -3.195 -21.657 -3.660 1053 2HB ASP 142 2HB ASP 142 -4.596 -22.116 -4.601 1054 H LYS 143 H LYS 143 -7.024 -19.762 -2.485 1055 HA LYS 143 HA LYS 143 -9.259 -21.524 -2.622 1056 1HB LYS 143 1HB LYS 143 -10.585 -19.544 -2.891 1057 2HB LYS 143 2HB LYS 143 -9.230 -18.651 -3.579 1058 1HG LYS 143 1HG LYS 143 -9.497 -17.964 -1.269 1059 2HG LYS 143 2HG LYS 143 -8.030 -18.912 -1.377 1060 1HD LYS 143 1HD LYS 143 -9.067 -20.823 -0.425 1061 2HD LYS 143 2HD LYS 143 -10.685 -20.159 -0.652 1062 1HE LYS 143 1HE LYS 143 -10.384 -19.697 1.597 1063 2HE LYS 143 2HE LYS 143 -9.715 -18.220 0.903 1064 1HZ LYS 143 1HZ LYS 143 -8.208 -19.120 2.529 1065 2HZ LYS 143 2HZ LYS 143 -7.509 -19.261 0.987 1066 3HZ LYS 143 3HZ LYS 143 -8.185 -20.624 1.746 1067 H ASN 144 H ASN 144 -7.397 -19.892 -5.163 1068 HA ASN 144 HA ASN 144 -9.187 -20.994 -7.257 1069 1HB ASN 144 1HB ASN 144 -7.681 -19.722 -8.811 1070 2HB ASN 144 2HB ASN 144 -6.759 -19.181 -7.409 1071 1HD2 ASN 144 1HD2 ASN 144 -9.579 -18.563 -9.320 1072 2HD2 ASN 144 2HD2 ASN 144 -10.235 -17.346 -8.338 1073 H ASN 145 H ASN 145 -6.078 -21.574 -5.748 1074 HA ASN 145 HA ASN 145 -4.532 -23.295 -5.995 1075 1HB ASN 145 1HB ASN 145 -6.441 -24.780 -7.783 1076 2HB ASN 145 2HB ASN 145 -6.833 -24.570 -6.078 1077 1HD2 ASN 145 1HD2 ASN 145 -6.268 -27.160 -7.228 1078 2HD2 ASN 145 2HD2 ASN 145 -4.827 -27.736 -6.537 1079 H ASP 146 H ASP 146 -3.331 -21.706 -7.325 1080 HA ASP 146 HA ASP 146 -3.232 -22.497 -10.213 1081 1HB ASP 146 1HB ASP 146 -2.224 -20.199 -10.557 1082 2HB ASP 146 2HB ASP 146 -2.636 -19.841 -8.878 1083 H GLY 147 H GLY 147 -1.662 -23.155 -7.441 1084 1HA GLY 147 1HA GLY 147 0.929 -23.485 -8.833 1085 2HA GLY 147 2HA GLY 147 0.465 -24.255 -7.316 1086 NH1 ARG 148 NH1 ARG 148 5.570 -20.274 -11.750 1087 NH2 ARG 148 NH2 ARG 148 4.799 -22.389 -12.012 1088 H ARG 148 H ARG 148 0.659 -20.851 -8.453 1089 HA ARG 148 HA ARG 148 2.454 -20.269 -6.142 1090 1HB ARG 148 1HB ARG 148 2.929 -18.161 -7.526 1091 2HB ARG 148 2HB ARG 148 2.066 -18.957 -8.836 1092 1HG ARG 148 1HG ARG 148 4.264 -20.414 -7.398 1093 2HG ARG 148 2HG ARG 148 4.665 -19.232 -8.640 1094 1HD ARG 148 1HD ARG 148 3.003 -20.479 -10.145 1095 2HD ARG 148 2HD ARG 148 3.040 -21.762 -8.935 1096 HE ARG 148 HE ARG 148 5.545 -21.856 -9.367 1097 1HH1 ARG 148 1HH1 ARG 148 4.961 -22.328 -12.997 1098 2HH1 ARG 148 2HH1 ARG 148 4.423 -23.230 -11.619 1099 1HH2 ARG 148 1HH2 ARG 148 5.783 -19.496 -11.156 1100 2HH2 ARG 148 2HH2 ARG 148 5.733 -20.210 -12.734 1101 H ILE 149 H ILE 149 2.194 -17.953 -5.330 1102 HA ILE 149 HA ILE 149 -0.716 -17.356 -4.986 1103 HB ILE 149 HB ILE 149 1.649 -16.511 -3.270 1104 1HG1 ILE 149 1HG1 ILE 149 0.939 -19.011 -3.351 1105 2HG1 ILE 149 2HG1 ILE 149 -0.519 -18.474 -2.518 1106 1HG2 ILE 149 1HG2 ILE 149 -0.299 -14.956 -3.224 1107 2HG2 ILE 149 2HG2 ILE 149 -0.067 -15.775 -1.679 1108 3HG2 ILE 149 3HG2 ILE 149 -1.341 -16.308 -2.777 1109 1HD1 ILE 149 1HD1 ILE 149 0.740 -17.665 -0.651 1110 2HD1 ILE 149 2HD1 ILE 149 2.263 -17.813 -1.526 1111 3HD1 ILE 149 3HD1 ILE 149 1.393 -19.261 -1.020 1112 H ASP 150 H ASP 150 -1.473 -15.323 -5.576 1113 HA ASP 150 HA ASP 150 0.550 -13.463 -6.763 1114 1HB ASP 150 1HB ASP 150 -0.736 -14.081 -8.601 1115 2HB ASP 150 2HB ASP 150 -1.573 -12.630 -8.064 1116 H PHE 151 H PHE 151 -0.385 -11.143 -6.878 1117 HA PHE 151 HA PHE 151 -0.748 -10.156 -4.233 1118 1HB PHE 151 1HB PHE 151 -1.748 -8.564 -6.561 1119 2HB PHE 151 2HB PHE 151 -0.036 -8.979 -6.515 1120 HD1 PHE 151 HD1 PHE 151 1.459 -7.921 -4.976 1121 HD2 PHE 151 HD2 PHE 151 -2.781 -7.309 -4.637 1122 HE1 PHE 151 HE1 PHE 151 1.850 -6.110 -3.333 1123 HE2 PHE 151 HE2 PHE 151 -2.386 -5.497 -2.991 1124 HZ PHE 151 HZ PHE 151 -0.072 -4.897 -2.340 1125 H ASP 152 H ASP 152 -3.083 -11.189 -6.651 1126 HA ASP 152 HA ASP 152 -5.415 -9.917 -5.580 1127 1HB ASP 152 1HB ASP 152 -6.657 -11.799 -6.731 1128 2HB ASP 152 2HB ASP 152 -5.091 -12.500 -7.132 1129 H GLU 153 H GLU 153 -4.429 -13.351 -5.189 1130 HA GLU 153 HA GLU 153 -6.266 -13.831 -3.020 1131 1HB GLU 153 1HB GLU 153 -4.793 -15.889 -2.656 1132 2HB GLU 153 2HB GLU 153 -3.810 -15.308 -4.001 1133 1HG GLU 153 1HG GLU 153 -6.019 -15.198 -5.329 1134 2HG GLU 153 2HG GLU 153 -6.710 -16.170 -4.031 1135 H PHE 154 H PHE 154 -3.034 -12.520 -3.175 1136 HA PHE 154 HA PHE 154 -2.121 -12.956 -0.526 1137 1HB PHE 154 1HB PHE 154 -1.632 -10.663 -2.453 1138 2HB PHE 154 2HB PHE 154 -0.654 -12.115 -2.279 1139 HD1 PHE 154 HD1 PHE 154 0.004 -12.548 0.369 1140 HD2 PHE 154 HD2 PHE 154 -0.734 -8.754 -1.506 1141 HE1 PHE 154 HE1 PHE 154 1.364 -11.419 2.110 1142 HE2 PHE 154 HE2 PHE 154 0.621 -7.629 0.234 1143 HZ PHE 154 HZ PHE 154 1.671 -8.961 2.043 1144 H LEU 155 H LEU 155 -4.290 -10.467 -1.858 1145 HA LEU 155 HA LEU 155 -4.369 -8.737 0.410 1146 1HB LEU 155 1HB LEU 155 -6.546 -7.970 -0.490 1147 2HB LEU 155 2HB LEU 155 -6.584 -9.359 -1.576 1148 HG LEU 155 HG LEU 155 -4.222 -8.459 -2.324 1149 1HD1 LEU 155 1HD1 LEU 155 -6.476 -8.545 -3.594 1150 2HD1 LEU 155 2HD1 LEU 155 -5.266 -7.394 -4.163 1151 3HD1 LEU 155 3HD1 LEU 155 -6.621 -6.837 -3.180 1152 1HD2 LEU 155 1HD2 LEU 155 -4.207 -6.701 -0.527 1153 2HD2 LEU 155 2HD2 LEU 155 -5.570 -5.925 -1.335 1154 3HD2 LEU 155 3HD2 LEU 155 -4.010 -6.040 -2.149 1155 H LYS 156 H LYS 156 -6.710 -11.313 -0.487 1156 HA LYS 156 HA LYS 156 -8.014 -11.246 2.103 1157 1HB LYS 156 1HB LYS 156 -9.214 -12.081 0.133 1158 2HB LYS 156 2HB LYS 156 -9.115 -13.345 1.358 1159 1HG LYS 156 1HG LYS 156 -6.930 -14.040 0.077 1160 2HG LYS 156 2HG LYS 156 -7.628 -13.112 -1.250 1161 1HD LYS 156 1HD LYS 156 -9.201 -15.236 0.220 1162 2HD LYS 156 2HD LYS 156 -8.185 -15.622 -1.170 1163 1HE LYS 156 1HE LYS 156 -9.440 -13.859 -2.470 1164 2HE LYS 156 2HE LYS 156 -10.538 -13.710 -1.097 1165 1HZ LYS 156 1HZ LYS 156 -11.060 -16.063 -1.308 1166 2HZ LYS 156 2HZ LYS 156 -10.010 -16.196 -2.638 1167 3HZ LYS 156 3HZ LYS 156 -11.408 -15.237 -2.749 1168 H MET 157 H MET 157 -5.133 -12.764 0.911 1169 HA MET 157 HA MET 157 -4.970 -15.000 2.675 1170 1HB MET 157 1HB MET 157 -2.362 -13.871 2.163 1171 2HB MET 157 2HB MET 157 -3.333 -13.775 0.698 1172 1HG MET 157 1HG MET 157 -3.640 -16.093 0.596 1173 2HG MET 157 2HG MET 157 -3.290 -16.313 2.309 1174 1HE MET 157 1HE MET 157 -0.213 -14.749 2.693 1175 2HE MET 157 2HE MET 157 0.216 -16.450 2.858 1176 3HE MET 157 3HE MET 157 -1.361 -15.890 3.407 1177 H MET 158 H MET 158 -3.091 -11.950 2.966 1178 HA MET 158 HA MET 158 -2.113 -10.989 4.869 1179 1HB MET 158 1HB MET 158 -4.977 -11.401 5.739 1180 2HB MET 158 2HB MET 158 -4.393 -10.062 4.763 1181 1HG MET 158 1HG MET 158 -2.976 -10.513 7.339 1182 2HG MET 158 2HG MET 158 -4.629 -9.912 7.456 1183 1HE MET 158 1HE MET 158 -0.911 -8.342 5.617 1184 2HE MET 158 2HE MET 158 -1.248 -9.713 6.671 1185 3HE MET 158 3HE MET 158 -1.020 -8.111 7.367 1186 H GLU 159 H GLU 159 -1.108 -13.391 5.015 1187 HA GLU 159 HA GLU 159 -1.984 -15.046 7.216 1188 1HB GLU 159 1HB GLU 159 0.865 -15.267 6.628 1189 2HB GLU 159 2HB GLU 159 -0.103 -15.272 5.156 1190 1HG GLU 159 1HG GLU 159 0.130 -17.562 5.945 1191 2HG GLU 159 2HG GLU 159 -1.543 -17.058 6.169 1192 H GLY 160 H GLY 160 -0.058 -12.143 7.025 1193 1HA GLY 160 1HA GLY 160 0.968 -10.862 8.703 1194 2HA GLY 160 2HA GLY 160 1.540 -12.394 9.362 1195 H VAL 161 H VAL 161 -1.638 -10.738 9.074 1196 HA VAL 161 HA VAL 161 -2.000 -11.107 12.009 1197 HB VAL 161 HB VAL 161 -3.632 -9.365 10.135 1198 1HG1 VAL 161 1HG1 VAL 161 -3.230 -9.169 13.129 1199 2HG1 VAL 161 2HG1 VAL 161 -4.555 -10.078 12.403 1200 3HG1 VAL 161 3HG1 VAL 161 -4.435 -8.338 12.146 1201 1HG2 VAL 161 1HG2 VAL 161 -1.426 -8.477 10.009 1202 2HG2 VAL 161 2HG2 VAL 161 -1.117 -8.799 11.715 1203 3HG2 VAL 161 3HG2 VAL 161 -2.230 -7.513 11.248 1204 H GLN 162 H GLN 162 -2.341 -13.451 11.140 1205 HA GLN 162 HA GLN 162 -5.256 -13.819 10.570 1206 1HB GLN 162 1HB GLN 162 -3.226 -15.895 9.806 1207 2HB GLN 162 2HB GLN 162 -3.444 -14.486 8.769 1208 1HG GLN 162 1HG GLN 162 -5.189 -15.593 7.849 1209 2HG GLN 162 2HG GLN 162 -6.050 -15.296 9.359 1210 1HE2 GLN 162 1HE2 GLN 162 -5.784 -17.752 7.373 1211 2HE2 GLN 162 2HE2 GLN 162 -5.546 -19.056 8.432 Start of MODEL 13 Raw file had 1211 H/Q atoms Start of MODEL 13 1 1H ALA 1 1H ALA 1 -9.287 22.479 28.535 2 2H ALA 1 2H ALA 1 -10.009 23.570 27.452 3 3H ALA 1 3H ALA 1 -10.478 21.937 27.454 4 HA ALA 1 HA ALA 1 -10.951 23.932 29.604 5 1HB ALA 1 1HB ALA 1 -13.318 23.535 29.085 6 2HB ALA 1 2HB ALA 1 -12.864 22.371 27.840 7 3HB ALA 1 3HB ALA 1 -12.463 24.077 27.641 8 H SER 2 H SER 2 -11.760 20.582 28.579 9 HA SER 2 HA SER 2 -11.078 19.579 31.253 10 1HB SER 2 1HB SER 2 -13.889 19.068 30.278 11 2HB SER 2 2HB SER 2 -13.518 20.457 31.295 12 HG SER 2 HG SER 2 -14.134 18.579 32.492 13 H MET 3 H MET 3 -12.564 18.821 28.086 14 HA MET 3 HA MET 3 -11.764 16.003 28.324 15 1HB MET 3 1HB MET 3 -12.538 16.885 25.646 16 2HB MET 3 2HB MET 3 -13.711 17.376 26.866 17 1HG MET 3 1HG MET 3 -14.441 15.221 26.275 18 2HG MET 3 2HG MET 3 -13.489 14.927 27.730 19 1HE MET 3 1HE MET 3 -10.463 14.206 27.231 20 2HE MET 3 2HE MET 3 -11.047 12.563 26.992 21 3HE MET 3 3HE MET 3 -11.919 13.651 28.068 22 H THR 4 H THR 4 -9.497 17.577 28.602 23 HA THR 4 HA THR 4 -8.129 17.967 26.054 24 HB THR 4 HB THR 4 -6.081 18.157 27.604 25 HG1 THR 4 HG1 THR 4 -6.577 17.245 29.458 26 1HG2 THR 4 1HG2 THR 4 -8.528 19.904 27.735 27 2HG2 THR 4 2HG2 THR 4 -7.008 20.188 26.885 28 3HG2 THR 4 3HG2 THR 4 -7.076 20.327 28.642 29 H ASP 5 H ASP 5 -8.156 16.022 24.950 30 HA ASP 5 HA ASP 5 -6.699 13.735 26.215 31 1HB ASP 5 1HB ASP 5 -8.577 13.653 23.832 32 2HB ASP 5 2HB ASP 5 -9.087 13.327 25.488 33 H GLN 6 H GLN 6 -7.205 15.448 23.118 34 HA GLN 6 HA GLN 6 -4.889 14.286 21.825 35 1HB GLN 6 1HB GLN 6 -5.254 16.052 20.127 36 2HB GLN 6 2HB GLN 6 -6.408 16.841 21.195 37 1HG GLN 6 1HG GLN 6 -7.104 14.054 20.912 38 2HG GLN 6 2HG GLN 6 -6.931 14.787 19.316 39 1HE2 GLN 6 1HE2 GLN 6 -8.145 16.986 19.072 40 2HE2 GLN 6 2HE2 GLN 6 -9.633 17.139 19.876 41 H GLN 7 H GLN 7 -5.513 17.463 23.358 42 HA GLN 7 HA GLN 7 -2.813 18.417 22.981 43 1HB GLN 7 1HB GLN 7 -3.750 19.880 25.096 44 2HB GLN 7 2HB GLN 7 -5.259 19.339 24.359 45 1HG GLN 7 1HG GLN 7 -3.943 20.070 22.126 46 2HG GLN 7 2HG GLN 7 -3.152 21.151 23.272 47 1HE2 GLN 7 1HE2 GLN 7 -5.487 21.367 21.079 48 2HE2 GLN 7 2HE2 GLN 7 -6.620 22.345 21.879 49 H ALA 8 H ALA 8 -4.492 16.817 25.697 50 HA ALA 8 HA ALA 8 -2.247 17.006 27.512 51 1HB ALA 8 1HB ALA 8 -4.632 16.586 28.194 52 2HB ALA 8 2HB ALA 8 -3.473 15.464 28.908 53 3HB ALA 8 3HB ALA 8 -4.472 14.953 27.548 54 H GLU 9 H GLU 9 -2.625 15.112 24.694 55 HA GLU 9 HA GLU 9 -0.730 13.058 25.749 56 1HB GLU 9 1HB GLU 9 -1.465 11.809 23.603 57 2HB GLU 9 2HB GLU 9 -2.787 12.976 23.542 58 1HG GLU 9 1HG GLU 9 -3.514 12.312 25.779 59 2HG GLU 9 2HG GLU 9 -2.137 11.222 25.932 60 H ALA 10 H ALA 10 -1.397 15.145 22.925 61 HA ALA 10 HA ALA 10 1.063 14.549 21.561 62 1HB ALA 10 1HB ALA 10 0.627 16.707 20.358 63 2HB ALA 10 2HB ALA 10 -0.720 17.001 21.459 64 3HB ALA 10 3HB ALA 10 -0.762 15.619 20.364 65 NH1 ARG 11 NH1 ARG 11 -1.049 22.244 28.495 66 NH2 ARG 11 NH2 ARG 11 -0.671 20.155 29.297 67 H ARG 11 H ARG 11 0.237 16.691 24.220 68 HA ARG 11 HA ARG 11 2.614 18.341 24.076 69 1HB ARG 11 1HB ARG 11 2.005 18.594 26.645 70 2HB ARG 11 2HB ARG 11 0.510 17.800 26.146 71 1HG ARG 11 1HG ARG 11 -0.121 19.567 24.769 72 2HG ARG 11 2HG ARG 11 1.541 20.094 24.509 73 1HD ARG 11 1HD ARG 11 0.718 21.744 25.952 74 2HD ARG 11 2HD ARG 11 1.497 20.628 27.073 75 HE ARG 11 HE ARG 11 -1.348 20.075 26.611 76 1HH1 ARG 11 1HH1 ARG 11 -0.794 20.489 30.231 77 2HH1 ARG 11 2HH1 ARG 11 -0.463 19.190 29.135 78 1HH2 ARG 11 1HH2 ARG 11 -1.131 22.872 27.721 79 2HH2 ARG 11 2HH2 ARG 11 -1.174 22.582 29.428 80 H ALA 12 H ALA 12 1.756 15.438 25.988 81 HA ALA 12 HA ALA 12 4.363 15.214 27.236 82 1HB ALA 12 1HB ALA 12 2.156 14.180 28.043 83 2HB ALA 12 2HB ALA 12 3.580 13.142 28.112 84 3HB ALA 12 3HB ALA 12 2.409 12.946 26.808 85 H PHE 13 H PHE 13 3.100 14.305 24.119 86 HA PHE 13 HA PHE 13 4.874 12.130 23.529 87 1HB PHE 13 1HB PHE 13 3.888 14.032 21.417 88 2HB PHE 13 2HB PHE 13 2.750 12.983 22.260 89 HD1 PHE 13 HD1 PHE 13 2.982 10.512 22.129 90 HD2 PHE 13 HD2 PHE 13 5.494 13.147 19.848 91 HE1 PHE 13 HE1 PHE 13 3.666 8.614 20.688 92 HE2 PHE 13 HE2 PHE 13 6.177 11.247 18.407 93 HZ PHE 13 HZ PHE 13 5.263 8.980 18.828 94 H LEU 14 H LEU 14 5.168 15.651 22.896 95 HA LEU 14 HA LEU 14 8.068 15.153 22.335 96 1HB LEU 14 1HB LEU 14 7.269 15.954 20.280 97 2HB LEU 14 2HB LEU 14 7.890 17.409 21.057 98 HG LEU 14 HG LEU 14 5.308 17.392 21.970 99 1HD1 LEU 14 1HD1 LEU 14 5.250 19.380 20.872 100 2HD1 LEU 14 2HD1 LEU 14 5.591 18.630 19.314 101 3HD1 LEU 14 3HD1 LEU 14 6.912 19.005 20.419 102 1HD2 LEU 14 1HD2 LEU 14 3.821 16.760 20.199 103 2HD2 LEU 14 2HD2 LEU 14 4.915 15.395 20.419 104 3HD2 LEU 14 3HD2 LEU 14 5.158 16.511 19.076 105 H SER 15 H SER 15 9.444 16.084 23.733 106 HA SER 15 HA SER 15 8.429 17.822 25.862 107 1HB SER 15 1HB SER 15 10.756 17.733 26.706 108 2HB SER 15 2HB SER 15 11.256 16.911 25.231 109 HG SER 15 HG SER 15 10.421 15.116 25.918 110 H GLU 16 H GLU 16 10.115 19.764 26.378 111 HA GLU 16 HA GLU 16 9.668 21.764 24.403 112 1HB GLU 16 1HB GLU 16 11.929 21.917 26.397 113 2HB GLU 16 2HB GLU 16 10.249 22.021 26.923 114 1HG GLU 16 1HG GLU 16 11.575 23.823 24.871 115 2HG GLU 16 2HG GLU 16 11.191 24.269 26.532 116 H GLU 17 H GLU 17 12.337 19.498 24.803 117 HA GLU 17 HA GLU 17 14.210 20.848 23.074 118 1HB GLU 17 1HB GLU 17 14.259 17.879 23.118 119 2HB GLU 17 2HB GLU 17 14.372 18.657 24.698 120 1HG GLU 17 1HG GLU 17 16.622 18.406 23.871 121 2HG GLU 17 2HG GLU 17 16.210 20.116 23.733 122 H MET 18 H MET 18 11.827 18.242 22.525 123 HA MET 18 HA MET 18 12.261 18.015 19.693 124 1HB MET 18 1HB MET 18 9.566 17.431 20.161 125 2HB MET 18 2HB MET 18 10.366 17.012 21.668 126 1HG MET 18 1HG MET 18 10.259 15.129 19.978 127 2HG MET 18 2HG MET 18 11.881 15.517 20.546 128 1HE MET 18 1HE MET 18 12.936 14.356 17.587 129 2HE MET 18 2HE MET 18 13.201 14.769 19.278 130 3HE MET 18 3HE MET 18 13.905 15.773 18.014 131 H ILE 19 H ILE 19 9.824 19.747 21.610 132 HA ILE 19 HA ILE 19 8.371 21.033 19.584 133 HB ILE 19 HB ILE 19 9.172 22.059 22.324 134 1HG1 ILE 19 1HG1 ILE 19 7.687 19.947 21.956 135 2HG1 ILE 19 2HG1 ILE 19 6.457 21.097 21.428 136 1HG2 ILE 19 1HG2 ILE 19 7.309 23.193 20.233 137 2HG2 ILE 19 2HG2 ILE 19 8.581 24.023 21.130 138 3HG2 ILE 19 3HG2 ILE 19 7.094 23.546 21.948 139 1HD1 ILE 19 1HD1 ILE 19 7.831 20.969 24.125 140 2HD1 ILE 19 2HD1 ILE 19 6.116 20.748 23.782 141 3HD1 ILE 19 3HD1 ILE 19 6.852 22.341 23.609 142 H ALA 20 H ALA 20 11.492 22.034 21.012 143 HA ALA 20 HA ALA 20 11.737 24.553 19.707 144 1HB ALA 20 1HB ALA 20 14.004 22.639 20.329 145 2HB ALA 20 2HB ALA 20 13.236 23.675 21.533 146 3HB ALA 20 3HB ALA 20 14.102 24.394 20.176 147 H GLU 21 H GLU 21 12.755 21.293 18.630 148 HA GLU 21 HA GLU 21 13.896 22.153 16.134 149 1HB GLU 21 1HB GLU 21 12.565 19.467 16.487 150 2HB GLU 21 2HB GLU 21 14.060 19.836 17.346 151 1HG GLU 21 1HG GLU 21 14.770 20.670 14.884 152 2HG GLU 21 2HG GLU 21 13.592 19.439 14.429 153 H PHE 22 H PHE 22 10.616 21.159 17.088 154 HA PHE 22 HA PHE 22 9.484 21.259 14.435 155 1HB PHE 22 1HB PHE 22 7.309 21.296 15.585 156 2HB PHE 22 2HB PHE 22 8.104 21.662 17.113 157 HD1 PHE 22 HD1 PHE 22 9.189 19.276 14.440 158 HD2 PHE 22 HD2 PHE 22 7.682 19.741 18.438 159 HE1 PHE 22 HE1 PHE 22 9.512 16.854 14.844 160 HE2 PHE 22 HE2 PHE 22 8.009 17.319 18.838 161 HZ PHE 22 HZ PHE 22 8.922 15.875 17.044 162 H LYS 23 H LYS 23 10.156 23.674 16.905 163 HA LYS 23 HA LYS 23 8.487 25.781 15.932 164 1HB LYS 23 1HB LYS 23 11.189 26.268 17.174 165 2HB LYS 23 2HB LYS 23 9.868 25.605 18.136 166 1HG LYS 23 1HG LYS 23 8.594 27.669 16.889 167 2HG LYS 23 2HG LYS 23 10.223 28.332 17.033 168 1HD LYS 23 1HD LYS 23 9.962 27.303 19.511 169 2HD LYS 23 2HD LYS 23 8.261 27.621 19.163 170 1HE LYS 23 1HE LYS 23 9.318 29.948 18.300 171 2HE LYS 23 2HE LYS 23 10.519 29.532 19.523 172 1HZ LYS 23 1HZ LYS 23 8.736 30.829 20.482 173 2HZ LYS 23 2HZ LYS 23 8.724 29.257 21.128 174 3HZ LYS 23 3HZ LYS 23 7.584 29.704 19.949 175 H ALA 24 H ALA 24 11.665 24.608 14.895 176 HA ALA 24 HA ALA 24 12.513 26.825 13.342 177 1HB ALA 24 1HB ALA 24 12.909 23.899 12.646 178 2HB ALA 24 2HB ALA 24 13.888 24.775 13.824 179 3HB ALA 24 3HB ALA 24 13.911 25.253 12.127 180 H ALA 25 H ALA 25 10.482 24.048 12.405 181 HA ALA 25 HA ALA 25 10.043 24.980 9.699 182 1HB ALA 25 1HB ALA 25 9.801 22.596 10.473 183 2HB ALA 25 2HB ALA 25 8.423 23.190 9.547 184 3HB ALA 25 3HB ALA 25 8.321 23.073 11.304 185 H PHE 26 H PHE 26 8.490 25.654 12.770 186 HA PHE 26 HA PHE 26 5.975 26.585 11.725 187 1HB PHE 26 1HB PHE 26 7.250 27.565 14.282 188 2HB PHE 26 2HB PHE 26 6.535 25.957 14.150 189 HD1 PHE 26 HD1 PHE 26 4.115 25.679 13.784 190 HD2 PHE 26 HD2 PHE 26 5.875 29.577 14.197 191 HE1 PHE 26 HE1 PHE 26 1.863 26.662 14.108 192 HE2 PHE 26 HE2 PHE 26 3.623 30.558 14.523 193 HZ PHE 26 HZ PHE 26 1.617 29.102 14.479 194 H ASP 27 H ASP 27 8.976 28.371 12.625 195 HA ASP 27 HA ASP 27 7.883 30.954 12.046 196 1HB ASP 27 1HB ASP 27 9.906 30.841 13.341 197 2HB ASP 27 2HB ASP 27 10.273 31.702 11.852 198 H MET 28 H MET 28 8.958 28.442 9.891 199 HA MET 28 HA MET 28 9.575 30.126 7.624 200 1HB MET 28 1HB MET 28 9.542 28.136 6.305 201 2HB MET 28 2HB MET 28 8.438 27.327 7.413 202 1HG MET 28 1HG MET 28 10.664 26.416 7.740 203 2HG MET 28 2HG MET 28 10.240 27.378 9.153 204 1HE MET 28 1HE MET 28 13.370 27.453 6.195 205 2HE MET 28 2HE MET 28 12.265 28.617 5.467 206 3HE MET 28 3HE MET 28 11.677 27.020 5.926 207 H PHE 29 H PHE 29 6.679 28.255 8.525 208 HA PHE 29 HA PHE 29 5.005 29.382 6.469 209 1HB PHE 29 1HB PHE 29 3.245 28.607 8.413 210 2HB PHE 29 2HB PHE 29 4.659 27.639 8.829 211 HD1 PHE 29 HD1 PHE 29 2.560 28.638 5.888 212 HD2 PHE 29 HD2 PHE 29 5.086 25.648 7.660 213 HE1 PHE 29 HE1 PHE 29 2.055 27.099 4.012 214 HE2 PHE 29 HE2 PHE 29 4.579 24.109 5.784 215 HZ PHE 29 HZ PHE 29 3.064 24.835 3.960 216 H ASP 30 H ASP 30 6.004 30.459 9.619 217 HA ASP 30 HA ASP 30 3.897 32.501 9.840 218 1HB ASP 30 1HB ASP 30 6.314 32.670 11.540 219 2HB ASP 30 2HB ASP 30 5.368 31.191 11.710 220 H ALA 31 H ALA 31 5.334 32.757 7.443 221 HA ALA 31 HA ALA 31 7.555 34.545 7.517 222 1HB ALA 31 1HB ALA 31 6.953 33.266 5.509 223 2HB ALA 31 2HB ALA 31 6.997 34.991 5.144 224 3HB ALA 31 3HB ALA 31 5.449 34.175 5.367 225 H ASP 32 H ASP 32 4.102 35.134 7.811 226 HA ASP 32 HA ASP 32 4.356 38.016 7.322 227 1HB ASP 32 1HB ASP 32 1.982 36.728 8.650 228 2HB ASP 32 2HB ASP 32 2.276 36.467 6.932 229 H GLY 33 H GLY 33 4.239 35.839 10.114 230 1HA GLY 33 1HA GLY 33 5.024 38.129 11.835 231 2HA GLY 33 2HA GLY 33 5.219 36.424 12.242 232 H GLY 34 H GLY 34 4.047 36.330 14.147 233 1HA GLY 34 1HA GLY 34 1.127 36.483 13.912 234 2HA GLY 34 2HA GLY 34 1.825 37.668 15.015 235 H GLY 35 H GLY 35 2.656 34.240 14.366 236 1HA GLY 35 1HA GLY 35 2.130 33.676 17.261 237 2HA GLY 35 2HA GLY 35 3.547 33.032 16.434 238 H ASP 36 H ASP 36 0.584 33.229 14.625 239 HA ASP 36 HA ASP 36 0.346 30.259 14.754 240 1HB ASP 36 1HB ASP 36 -2.024 30.362 14.918 241 2HB ASP 36 2HB ASP 36 -2.055 32.080 14.554 242 H ILE 37 H ILE 37 -0.977 29.460 12.806 243 HA ILE 37 HA ILE 37 -0.164 31.052 10.412 244 HB ILE 37 HB ILE 37 -1.054 28.162 10.429 245 1HG1 ILE 37 1HG1 ILE 37 1.373 27.576 10.459 246 2HG1 ILE 37 2HG1 ILE 37 0.855 28.335 11.964 247 1HG2 ILE 37 1HG2 ILE 37 0.442 28.175 8.365 248 2HG2 ILE 37 2HG2 ILE 37 0.486 29.932 8.522 249 3HG2 ILE 37 3HG2 ILE 37 -1.048 29.110 8.238 250 1HD1 ILE 37 1HD1 ILE 37 1.890 30.398 11.406 251 2HD1 ILE 37 2HD1 ILE 37 2.043 29.957 9.706 252 3HD1 ILE 37 3HD1 ILE 37 3.062 29.176 10.914 253 H SER 38 H SER 38 -1.721 31.503 8.781 254 HA SER 38 HA SER 38 -4.552 30.861 9.508 255 1HB SER 38 1HB SER 38 -5.166 33.135 8.641 256 2HB SER 38 2HB SER 38 -3.451 33.507 8.507 257 HG SER 38 HG SER 38 -3.340 33.786 10.574 258 H THR 39 H THR 39 -5.992 31.455 7.450 259 HA THR 39 HA THR 39 -5.174 29.706 5.333 260 HB THR 39 HB THR 39 -7.245 31.842 4.892 261 HG1 THR 39 HG1 THR 39 -8.214 31.216 6.632 262 1HG2 THR 39 1HG2 THR 39 -8.401 29.883 3.840 263 2HG2 THR 39 2HG2 THR 39 -6.980 28.905 4.207 264 3HG2 THR 39 3HG2 THR 39 -6.850 30.268 3.095 265 H LYS 40 H LYS 40 -5.467 33.290 5.361 266 HA LYS 40 HA LYS 40 -4.348 33.652 2.746 267 1HB LYS 40 1HB LYS 40 -5.574 35.479 3.751 268 2HB LYS 40 2HB LYS 40 -3.913 36.008 3.504 269 1HG LYS 40 1HG LYS 40 -3.391 35.878 5.794 270 2HG LYS 40 2HG LYS 40 -4.758 34.821 6.141 271 1HD LYS 40 1HD LYS 40 -5.311 37.027 6.961 272 2HD LYS 40 2HD LYS 40 -6.285 36.735 5.520 273 1HE LYS 40 1HE LYS 40 -5.011 38.196 4.207 274 2HE LYS 40 2HE LYS 40 -3.603 38.073 5.260 275 1HZ LYS 40 1HZ LYS 40 -4.748 39.333 6.938 276 2HZ LYS 40 2HZ LYS 40 -6.165 39.381 6.001 277 3HZ LYS 40 3HZ LYS 40 -4.771 40.202 5.482 278 H GLU 41 H GLU 41 -2.848 33.656 5.972 279 HA GLU 41 HA GLU 41 -0.204 34.350 5.181 280 1HB GLU 41 1HB GLU 41 -0.093 32.449 7.323 281 2HB GLU 41 2HB GLU 41 -1.515 33.466 7.561 282 1HG GLU 41 1HG GLU 41 -0.007 34.898 8.506 283 2HG GLU 41 2HG GLU 41 0.321 35.342 6.830 284 H LEU 42 H LEU 42 -1.895 31.229 5.148 285 HA LEU 42 HA LEU 42 0.389 29.565 4.648 286 1HB LEU 42 1HB LEU 42 -1.413 28.065 3.523 287 2HB LEU 42 2HB LEU 42 -2.561 29.280 4.081 288 HG LEU 42 HG LEU 42 -1.345 28.965 6.389 289 1HD1 LEU 42 1HD1 LEU 42 -3.726 28.266 5.597 290 2HD1 LEU 42 2HD1 LEU 42 -3.063 27.491 7.035 291 3HD1 LEU 42 3HD1 LEU 42 -3.044 26.643 5.489 292 1HD2 LEU 42 1HD2 LEU 42 0.330 27.388 5.112 293 2HD2 LEU 42 2HD2 LEU 42 -0.939 26.182 5.323 294 3HD2 LEU 42 3HD2 LEU 42 -0.207 26.949 6.733 295 H GLY 43 H GLY 43 -1.942 31.111 2.413 296 1HA GLY 43 1HA GLY 43 -1.745 31.683 0.151 297 2HA GLY 43 2HA GLY 43 -0.860 30.169 -0.025 298 H THR 44 H THR 44 0.082 32.993 1.935 299 HA THR 44 HA THR 44 1.936 34.123 0.075 300 HB THR 44 HB THR 44 2.331 34.209 3.071 301 HG1 THR 44 HG1 THR 44 0.469 35.125 3.253 302 1HG2 THR 44 1HG2 THR 44 2.672 36.288 0.890 303 2HG2 THR 44 2HG2 THR 44 3.979 35.314 1.564 304 3HG2 THR 44 3HG2 THR 44 3.122 36.468 2.586 305 H VAL 45 H VAL 45 2.364 31.661 2.623 306 HA VAL 45 HA VAL 45 5.212 31.369 2.205 307 HB VAL 45 HB VAL 45 3.228 29.421 3.433 308 1HG1 VAL 45 1HG1 VAL 45 5.249 28.237 2.924 309 2HG1 VAL 45 2HG1 VAL 45 5.337 28.640 4.637 310 3HG1 VAL 45 3HG1 VAL 45 6.253 29.583 3.462 311 1HG2 VAL 45 1HG2 VAL 45 5.102 31.158 5.006 312 2HG2 VAL 45 2HG2 VAL 45 3.538 30.492 5.473 313 3HG2 VAL 45 3HG2 VAL 45 3.616 31.873 4.381 314 H MET 46 H MET 46 2.347 29.736 0.842 315 HA MET 46 HA MET 46 3.756 27.615 -0.479 316 1HB MET 46 1HB MET 46 1.774 27.293 -1.792 317 2HB MET 46 2HB MET 46 1.252 28.956 -1.533 318 1HG MET 46 1HG MET 46 0.160 28.341 0.325 319 2HG MET 46 2HG MET 46 1.652 27.714 1.022 320 1HE MET 46 1HE MET 46 1.663 25.803 1.975 321 2HE MET 46 2HE MET 46 0.748 24.331 1.657 322 3HE MET 46 3HE MET 46 -0.075 25.750 2.298 323 NH1 ARG 47 NH1 ARG 47 -1.776 34.675 -4.513 324 NH2 ARG 47 NH2 ARG 47 -0.094 35.975 -3.721 325 H ARG 47 H ARG 47 2.713 30.824 -1.661 326 HA ARG 47 HA ARG 47 3.900 30.580 -4.256 327 1HB ARG 47 1HB ARG 47 3.903 33.236 -3.935 328 2HB ARG 47 2HB ARG 47 2.859 32.813 -2.577 329 1HG ARG 47 1HG ARG 47 1.928 31.200 -4.641 330 2HG ARG 47 2HG ARG 47 2.312 32.716 -5.450 331 1HD ARG 47 1HD ARG 47 0.985 33.231 -2.927 332 2HD ARG 47 2HD ARG 47 0.015 32.141 -3.916 333 HE ARG 47 HE ARG 47 0.758 34.143 -5.684 334 1HH1 ARG 47 1HH1 ARG 47 -2.449 35.331 -4.172 335 2HH1 ARG 47 2HH1 ARG 47 -2.082 33.848 -4.987 336 1HH2 ARG 47 1HH2 ARG 47 0.884 36.141 -3.591 337 2HH2 ARG 47 2HH2 ARG 47 -0.762 36.637 -3.378 338 H MET 48 H MET 48 5.338 31.245 -1.132 339 HA MET 48 HA MET 48 7.674 32.661 -2.007 340 1HB MET 48 1HB MET 48 8.684 31.422 0.099 341 2HB MET 48 2HB MET 48 7.007 30.961 0.381 342 1HG MET 48 1HG MET 48 7.246 32.994 1.565 343 2HG MET 48 2HG MET 48 6.470 33.473 0.056 344 1HE MET 48 1HE MET 48 10.019 32.747 1.586 345 2HE MET 48 2HE MET 48 9.174 34.003 2.487 346 3HE MET 48 3HE MET 48 10.643 34.402 1.599 347 H LEU 49 H LEU 49 6.878 29.208 -1.853 348 HA LEU 49 HA LEU 49 9.524 28.284 -2.655 349 1HB LEU 49 1HB LEU 49 8.263 26.137 -3.159 350 2HB LEU 49 2HB LEU 49 6.789 26.967 -2.689 351 HG LEU 49 HG LEU 49 8.146 25.509 -0.938 352 1HD1 LEU 49 1HD1 LEU 49 9.744 26.737 0.352 353 2HD1 LEU 49 2HD1 LEU 49 9.400 28.231 -0.519 354 3HD1 LEU 49 3HD1 LEU 49 10.237 26.908 -1.332 355 1HD2 LEU 49 1HD2 LEU 49 6.089 27.180 -0.778 356 2HD2 LEU 49 2HD2 LEU 49 7.261 28.172 0.089 357 3HD2 LEU 49 3HD2 LEU 49 6.868 26.557 0.676 358 H GLY 50 H GLY 50 6.530 29.184 -4.269 359 1HA GLY 50 1HA GLY 50 7.787 28.571 -6.912 360 2HA GLY 50 2HA GLY 50 6.931 30.088 -6.625 361 H GLN 51 H GLN 51 5.401 27.672 -4.838 362 HA GLN 51 HA GLN 51 3.729 26.637 -7.038 363 1HB GLN 51 1HB GLN 51 2.857 26.201 -4.255 364 2HB GLN 51 2HB GLN 51 4.485 25.622 -4.591 365 1HG GLN 51 1HG GLN 51 2.906 23.823 -5.038 366 2HG GLN 51 2HG GLN 51 3.585 24.378 -6.567 367 1HE2 GLN 51 1HE2 GLN 51 0.699 25.024 -4.441 368 2HE2 GLN 51 2HE2 GLN 51 -0.355 25.281 -5.743 369 H ASN 52 H ASN 52 1.675 27.373 -7.490 370 HA ASN 52 HA ASN 52 0.625 29.614 -5.803 371 1HB ASN 52 1HB ASN 52 -0.583 30.243 -8.012 372 2HB ASN 52 2HB ASN 52 0.580 29.172 -8.794 373 1HD2 ASN 52 1HD2 ASN 52 0.201 32.308 -8.583 374 2HD2 ASN 52 2HD2 ASN 52 1.777 32.847 -8.258 375 HA PRO 53 HA PRO 53 -2.357 26.126 -5.594 376 1HB PRO 53 1HB PRO 53 -1.464 25.379 -3.611 377 2HB PRO 53 2HB PRO 53 -2.757 26.339 -2.885 378 1HG PRO 53 1HG PRO 53 -0.068 26.744 -2.387 379 2HG PRO 53 2HG PRO 53 -1.292 28.014 -2.230 380 1HD PRO 53 1HD PRO 53 0.820 27.700 -4.262 381 2HD PRO 53 2HD PRO 53 -0.167 29.130 -3.896 382 H THR 54 H THR 54 -4.623 26.261 -4.267 383 HA THR 54 HA THR 54 -5.838 28.823 -5.114 384 HB THR 54 HB THR 54 -7.559 26.718 -3.937 385 HG1 THR 54 HG1 THR 54 -6.923 25.177 -5.189 386 1HG2 THR 54 1HG2 THR 54 -9.034 27.392 -5.629 387 2HG2 THR 54 2HG2 THR 54 -7.727 27.952 -6.672 388 3HG2 THR 54 3HG2 THR 54 -8.168 28.879 -5.237 389 H LYS 55 H LYS 55 -7.031 30.151 -3.708 390 HA LYS 55 HA LYS 55 -6.133 30.250 -0.956 391 1HB LYS 55 1HB LYS 55 -7.881 32.082 -0.777 392 2HB LYS 55 2HB LYS 55 -8.298 31.752 -2.458 393 1HG LYS 55 1HG LYS 55 -5.717 32.038 -2.864 394 2HG LYS 55 2HG LYS 55 -5.752 32.888 -1.320 395 1HD LYS 55 1HD LYS 55 -7.579 34.346 -2.235 396 2HD LYS 55 2HD LYS 55 -7.375 33.552 -3.797 397 1HE LYS 55 1HE LYS 55 -5.213 34.447 -4.100 398 2HE LYS 55 2HE LYS 55 -5.023 34.806 -2.385 399 1HZ LYS 55 1HZ LYS 55 -6.926 36.152 -4.227 400 2HZ LYS 55 2HZ LYS 55 -5.460 36.806 -3.670 401 3HZ LYS 55 3HZ LYS 55 -6.726 36.502 -2.579 402 H GLU 56 H GLU 56 -9.238 29.399 -2.515 403 HA GLU 56 HA GLU 56 -10.604 28.756 -0.060 404 1HB GLU 56 1HB GLU 56 -11.862 29.195 -2.113 405 2HB GLU 56 2HB GLU 56 -12.223 27.571 -1.534 406 1HG GLU 56 1HG GLU 56 -10.402 26.743 -3.126 407 2HG GLU 56 2HG GLU 56 -10.407 28.361 -3.826 408 H GLU 57 H GLU 57 -8.404 26.964 -2.130 409 HA GLU 57 HA GLU 57 -9.003 24.330 -1.085 410 1HB GLU 57 1HB GLU 57 -6.392 25.304 -2.286 411 2HB GLU 57 2HB GLU 57 -7.782 24.814 -3.253 412 1HG GLU 57 1HG GLU 57 -7.699 22.568 -2.320 413 2HG GLU 57 2HG GLU 57 -6.418 23.042 -1.203 414 H LEU 58 H LEU 58 -6.708 26.899 -0.267 415 HA LEU 58 HA LEU 58 -5.286 25.458 1.775 416 1HB LEU 58 1HB LEU 58 -5.017 28.050 2.531 417 2HB LEU 58 2HB LEU 58 -5.533 28.273 0.858 418 HG LEU 58 HG LEU 58 -3.738 26.660 0.158 419 1HD1 LEU 58 1HD1 LEU 58 -1.813 28.292 0.918 420 2HD1 LEU 58 2HD1 LEU 58 -3.146 29.253 1.558 421 3HD1 LEU 58 3HD1 LEU 58 -3.079 28.875 -0.163 422 1HD2 LEU 58 1HD2 LEU 58 -3.149 25.337 1.950 423 2HD2 LEU 58 2HD2 LEU 58 -3.367 26.638 3.120 424 3HD2 LEU 58 3HD2 LEU 58 -1.911 26.581 2.127 425 H ASP 59 H ASP 59 -8.225 27.393 1.761 426 HA ASP 59 HA ASP 59 -8.564 27.618 4.602 427 1HB ASP 59 1HB ASP 59 -10.850 27.427 2.634 428 2HB ASP 59 2HB ASP 59 -9.832 28.866 2.724 429 H ALA 60 H ALA 60 -9.398 25.098 2.256 430 HA ALA 60 HA ALA 60 -10.994 23.514 4.088 431 1HB ALA 60 1HB ALA 60 -11.037 21.884 2.385 432 2HB ALA 60 2HB ALA 60 -9.454 22.357 1.767 433 3HB ALA 60 3HB ALA 60 -10.858 23.386 1.480 434 H ILE 61 H ILE 61 -7.578 23.766 3.312 435 HA ILE 61 HA ILE 61 -6.652 21.390 4.616 436 HB ILE 61 HB ILE 61 -5.424 24.031 3.835 437 1HG1 ILE 61 1HG1 ILE 61 -5.900 21.969 2.306 438 2HG1 ILE 61 2HG1 ILE 61 -4.507 21.250 3.113 439 1HG2 ILE 61 1HG2 ILE 61 -3.202 23.012 4.583 440 2HG2 ILE 61 2HG2 ILE 61 -4.147 21.862 5.529 441 3HG2 ILE 61 3HG2 ILE 61 -4.249 23.586 5.881 442 1HD1 ILE 61 1HD1 ILE 61 -4.626 23.690 1.354 443 2HD1 ILE 61 2HD1 ILE 61 -3.532 22.312 1.259 444 3HD1 ILE 61 3HD1 ILE 61 -3.329 23.514 2.534 445 H ILE 62 H ILE 62 -7.506 24.608 5.804 446 HA ILE 62 HA ILE 62 -6.486 24.050 8.515 447 HB ILE 62 HB ILE 62 -8.219 26.372 7.617 448 1HG1 ILE 62 1HG1 ILE 62 -6.158 26.206 6.229 449 2HG1 ILE 62 2HG1 ILE 62 -5.187 26.193 7.698 450 1HG2 ILE 62 1HG2 ILE 62 -8.029 26.013 10.058 451 2HG2 ILE 62 2HG2 ILE 62 -7.202 27.490 9.565 452 3HG2 ILE 62 3HG2 ILE 62 -6.271 26.036 9.922 453 1HD1 ILE 62 1HD1 ILE 62 -6.869 28.408 8.001 454 2HD1 ILE 62 2HD1 ILE 62 -6.393 28.445 6.304 455 3HD1 ILE 62 3HD1 ILE 62 -5.161 28.445 7.564 456 H GLU 63 H GLU 63 -9.521 24.000 6.736 457 HA GLU 63 HA GLU 63 -11.443 23.971 8.779 458 1HB GLU 63 1HB GLU 63 -12.183 21.963 6.927 459 2HB GLU 63 2HB GLU 63 -11.256 23.152 6.017 460 1HG GLU 63 1HG GLU 63 -12.763 24.852 7.410 461 2HG GLU 63 2HG GLU 63 -13.847 23.462 7.464 462 H GLU 64 H GLU 64 -9.416 21.302 7.594 463 HA GLU 64 HA GLU 64 -10.593 19.315 9.368 464 1HB GLU 64 1HB GLU 64 -7.910 18.637 8.556 465 2HB GLU 64 2HB GLU 64 -8.776 19.337 7.191 466 1HG GLU 64 1HG GLU 64 -10.507 17.708 7.325 467 2HG GLU 64 2HG GLU 64 -10.000 17.190 8.931 468 H VAL 65 H VAL 65 -7.978 21.639 9.615 469 HA VAL 65 HA VAL 65 -6.605 20.436 11.843 470 HB VAL 65 HB VAL 65 -6.688 23.314 10.892 471 1HG1 VAL 65 1HG1 VAL 65 -5.196 21.934 13.086 472 2HG1 VAL 65 2HG1 VAL 65 -5.804 23.587 13.008 473 3HG1 VAL 65 3HG1 VAL 65 -4.336 23.146 12.137 474 1HG2 VAL 65 1HG2 VAL 65 -4.719 22.807 9.664 475 2HG2 VAL 65 2HG2 VAL 65 -5.799 21.449 9.350 476 3HG2 VAL 65 3HG2 VAL 65 -4.486 21.279 10.513 477 H ASP 66 H ASP 66 -9.171 22.958 11.693 478 HA ASP 66 HA ASP 66 -9.137 23.380 14.556 479 1HB ASP 66 1HB ASP 66 -10.004 25.195 13.333 480 2HB ASP 66 2HB ASP 66 -11.412 24.493 14.115 481 H GLU 67 H GLU 67 -9.155 20.853 14.765 482 HA GLU 67 HA GLU 67 -11.697 19.482 14.600 483 1HB GLU 67 1HB GLU 67 -9.430 18.748 16.462 484 2HB GLU 67 2HB GLU 67 -9.318 18.469 14.726 485 1HG GLU 67 1HG GLU 67 -11.697 17.346 15.097 486 2HG GLU 67 2HG GLU 67 -11.106 17.172 16.750 487 H ASP 68 H ASP 68 -9.898 21.066 17.242 488 HA ASP 68 HA ASP 68 -11.960 20.532 19.225 489 1HB ASP 68 1HB ASP 68 -10.635 22.174 20.603 490 2HB ASP 68 2HB ASP 68 -9.585 22.418 19.208 491 H GLY 69 H GLY 69 -11.021 23.351 17.237 492 1HA GLY 69 1HA GLY 69 -13.509 24.727 18.156 493 2HA GLY 69 2HA GLY 69 -13.149 24.588 16.435 494 H SER 70 H SER 70 -10.532 25.211 16.207 495 HA SER 70 HA SER 70 -10.023 27.712 17.729 496 1HB SER 70 1HB SER 70 -7.889 27.395 16.021 497 2HB SER 70 2HB SER 70 -8.370 25.727 16.305 498 HG SER 70 HG SER 70 -6.969 26.310 17.923 499 H GLY 71 H GLY 71 -9.758 26.671 14.313 500 1HA GLY 71 1HA GLY 71 -10.633 29.415 13.495 501 2HA GLY 71 2HA GLY 71 -11.201 27.964 12.663 502 H THR 72 H THR 72 -8.071 29.335 13.730 503 HA THR 72 HA THR 72 -6.979 28.824 10.996 504 HB THR 72 HB THR 72 -5.200 30.456 11.689 505 HG1 THR 72 HG1 THR 72 -5.103 30.634 13.787 506 1HG2 THR 72 1HG2 THR 72 -8.109 31.192 11.643 507 2HG2 THR 72 2HG2 THR 72 -6.868 31.481 10.423 508 3HG2 THR 72 3HG2 THR 72 -6.894 32.443 11.901 509 H ILE 73 H ILE 73 -4.260 28.655 11.508 510 HA ILE 73 HA ILE 73 -4.151 26.139 13.112 511 HB ILE 73 HB ILE 73 -1.777 27.101 11.589 512 1HG1 ILE 73 1HG1 ILE 73 -3.730 27.481 10.048 513 2HG1 ILE 73 2HG1 ILE 73 -4.162 25.783 10.242 514 1HG2 ILE 73 1HG2 ILE 73 -3.049 24.366 11.784 515 2HG2 ILE 73 2HG2 ILE 73 -1.905 24.983 12.974 516 3HG2 ILE 73 3HG2 ILE 73 -1.399 24.750 11.301 517 1HD1 ILE 73 1HD1 ILE 73 -1.885 27.014 8.756 518 2HD1 ILE 73 2HD1 ILE 73 -2.862 25.604 8.347 519 3HD1 ILE 73 3HD1 ILE 73 -1.584 25.470 9.554 520 H ASP 74 H ASP 74 -3.091 26.078 15.014 521 HA ASP 74 HA ASP 74 -1.693 28.547 15.930 522 1HB ASP 74 1HB ASP 74 -2.049 27.581 18.221 523 2HB ASP 74 2HB ASP 74 -2.933 26.254 17.476 524 H PHE 75 H PHE 75 0.055 27.903 17.713 525 HA PHE 75 HA PHE 75 2.101 26.376 16.343 526 1HB PHE 75 1HB PHE 75 2.106 27.282 19.237 527 2HB PHE 75 2HB PHE 75 2.558 28.323 17.888 528 HD1 PHE 75 HD1 PHE 75 3.567 25.526 20.018 529 HD2 PHE 75 HD2 PHE 75 4.558 27.781 16.500 530 HE1 PHE 75 HE1 PHE 75 5.855 24.571 20.050 531 HE2 PHE 75 HE2 PHE 75 6.845 26.824 16.532 532 HZ PHE 75 HZ PHE 75 7.494 25.220 18.308 533 H GLU 76 H GLU 76 0.248 25.811 19.360 534 HA GLU 76 HA GLU 76 1.283 23.142 19.742 535 1HB GLU 76 1HB GLU 76 -0.764 22.904 21.254 536 2HB GLU 76 2HB GLU 76 -1.188 24.552 20.791 537 1HG GLU 76 1HG GLU 76 0.468 25.465 22.069 538 2HG GLU 76 2HG GLU 76 1.619 24.194 21.655 539 H GLU 77 H GLU 77 -1.156 24.478 17.671 540 HA GLU 77 HA GLU 77 -2.617 21.995 17.218 541 1HB GLU 77 1HB GLU 77 -2.591 23.931 15.007 542 2HB GLU 77 2HB GLU 77 -3.042 24.657 16.548 543 1HG GLU 77 1HG GLU 77 -4.295 22.036 15.959 544 2HG GLU 77 2HG GLU 77 -4.800 23.367 14.919 545 H PHE 78 H PHE 78 0.092 23.738 15.844 546 HA PHE 78 HA PHE 78 0.591 22.059 13.577 547 1HB PHE 78 1HB PHE 78 2.262 23.961 15.229 548 2HB PHE 78 2HB PHE 78 1.569 24.242 13.640 549 HD1 PHE 78 HD1 PHE 78 2.392 22.615 11.727 550 HD2 PHE 78 HD2 PHE 78 4.478 23.272 15.425 551 HE1 PHE 78 HE1 PHE 78 4.490 21.788 10.693 552 HE2 PHE 78 HE2 PHE 78 6.573 22.447 14.390 553 HZ PHE 78 HZ PHE 78 6.580 21.705 12.023 554 H LEU 79 H LEU 79 1.610 21.977 16.984 555 HA LEU 79 HA LEU 79 3.491 19.784 16.647 556 1HB LEU 79 1HB LEU 79 3.480 19.650 19.076 557 2HB LEU 79 2HB LEU 79 2.002 20.601 19.145 558 HG LEU 79 HG LEU 79 3.289 22.475 17.999 559 1HD1 LEU 79 1HD1 LEU 79 4.008 23.329 20.043 560 2HD1 LEU 79 2HD1 LEU 79 4.646 21.777 20.584 561 3HD1 LEU 79 3HD1 LEU 79 2.904 22.061 20.575 562 1HD2 LEU 79 1HD2 LEU 79 5.153 21.379 17.036 563 2HD2 LEU 79 2HD2 LEU 79 5.512 20.500 18.521 564 3HD2 LEU 79 3HD2 LEU 79 5.838 22.229 18.422 565 H VAL 80 H VAL 80 0.191 19.918 18.070 566 HA VAL 80 HA VAL 80 -0.117 17.099 18.363 567 HB VAL 80 HB VAL 80 -1.579 18.884 19.408 568 1HG1 VAL 80 1HG1 VAL 80 -2.960 18.841 16.710 569 2HG1 VAL 80 2HG1 VAL 80 -1.939 20.160 17.281 570 3HG1 VAL 80 3HG1 VAL 80 -3.435 19.777 18.129 571 1HG2 VAL 80 1HG2 VAL 80 -2.137 16.406 19.265 572 2HG2 VAL 80 2HG2 VAL 80 -3.150 16.796 17.877 573 3HG2 VAL 80 3HG2 VAL 80 -3.523 17.476 19.461 574 H MET 81 H MET 81 -0.546 19.216 15.594 575 HA MET 81 HA MET 81 -2.031 17.440 13.912 576 1HB MET 81 1HB MET 81 -0.422 18.805 12.152 577 2HB MET 81 2HB MET 81 -0.396 19.877 13.550 578 1HG MET 81 1HG MET 81 -2.423 20.639 12.921 579 2HG MET 81 2HG MET 81 -3.080 19.038 13.266 580 1HE MET 81 1HE MET 81 -1.970 21.238 9.645 581 2HE MET 81 2HE MET 81 -0.669 20.057 9.771 582 3HE MET 81 3HE MET 81 -1.037 21.098 11.141 583 H MET 82 H MET 82 1.485 17.871 14.434 584 HA MET 82 HA MET 82 2.236 15.790 12.544 585 1HB MET 82 1HB MET 82 3.893 16.582 14.938 586 2HB MET 82 2HB MET 82 3.711 17.680 13.570 587 1HG MET 82 1HG MET 82 4.686 16.088 12.059 588 2HG MET 82 2HG MET 82 4.613 14.804 13.265 589 1HE MET 82 1HE MET 82 7.731 14.899 15.096 590 2HE MET 82 2HE MET 82 6.682 13.975 14.024 591 3HE MET 82 3HE MET 82 6.007 14.741 15.459 592 H VAL 83 H VAL 83 1.382 15.910 15.945 593 HA VAL 83 HA VAL 83 2.204 13.246 16.651 594 HB VAL 83 HB VAL 83 0.407 15.359 17.843 595 1HG1 VAL 83 1HG1 VAL 83 0.817 12.517 18.812 596 2HG1 VAL 83 2HG1 VAL 83 -0.710 13.341 18.501 597 3HG1 VAL 83 3HG1 VAL 83 0.289 13.824 19.870 598 1HG2 VAL 83 1HG2 VAL 83 3.089 14.120 18.445 599 2HG2 VAL 83 2HG2 VAL 83 2.193 14.983 19.696 600 3HG2 VAL 83 3HG2 VAL 83 2.680 15.820 18.221 601 NH1 ARG 84 NH1 ARG 84 -6.183 17.574 13.134 602 NH2 ARG 84 NH2 ARG 84 -6.048 15.985 11.521 603 H ARG 84 H ARG 84 -0.591 14.464 14.921 604 HA ARG 84 HA ARG 84 -1.800 11.732 15.112 605 1HB ARG 84 1HB ARG 84 -3.098 13.283 16.489 606 2HB ARG 84 2HB ARG 84 -4.033 12.767 15.088 607 1HG ARG 84 1HG ARG 84 -2.539 15.098 14.353 608 2HG ARG 84 2HG ARG 84 -3.362 15.431 15.877 609 1HD ARG 84 1HD ARG 84 -5.453 15.257 14.938 610 2HD ARG 84 2HD ARG 84 -4.944 14.035 13.772 611 HE ARG 84 HE ARG 84 -3.637 16.344 12.945 612 1HH1 ARG 84 1HH1 ARG 84 -6.857 16.367 11.073 613 2HH1 ARG 84 2HH1 ARG 84 -5.589 15.187 11.127 614 1HH2 ARG 84 1HH2 ARG 84 -5.828 17.989 13.972 615 2HH2 ARG 84 2HH2 ARG 84 -6.993 17.959 12.691 616 H GLN 85 H GLN 85 -0.138 13.213 12.986 617 HA GLN 85 HA GLN 85 -2.109 13.031 10.746 618 1HB GLN 85 1HB GLN 85 -0.909 15.184 10.872 619 2HB GLN 85 2HB GLN 85 -0.505 14.312 9.397 620 1HG GLN 85 1HG GLN 85 1.254 13.764 11.724 621 2HG GLN 85 2HG GLN 85 1.356 15.391 11.059 622 1HE2 GLN 85 1HE2 GLN 85 3.180 12.860 10.883 623 2HE2 GLN 85 2HE2 GLN 85 3.511 12.738 9.224 624 H MET 86 H MET 86 0.909 11.719 11.994 625 HA MET 86 HA MET 86 1.406 10.117 9.580 626 1HB MET 86 1HB MET 86 3.341 10.844 10.857 627 2HB MET 86 2HB MET 86 3.229 9.089 10.959 628 1HG MET 86 1HG MET 86 1.889 9.516 13.145 629 2HG MET 86 2HG MET 86 2.567 11.142 13.069 630 1HE MET 86 1HE MET 86 4.451 9.058 15.815 631 2HE MET 86 2HE MET 86 2.793 9.441 15.360 632 3HE MET 86 3HE MET 86 3.982 10.733 15.500 633 H LYS 87 H LYS 87 -0.249 9.710 12.649 634 HA LYS 87 HA LYS 87 -0.354 6.797 12.481 635 1HB LYS 87 1HB LYS 87 -2.002 7.028 14.356 636 2HB LYS 87 2HB LYS 87 -1.881 8.779 14.189 637 1HG LYS 87 1HG LYS 87 0.460 8.744 14.763 638 2HG LYS 87 2HG LYS 87 0.515 6.984 14.670 639 1HD LYS 87 1HD LYS 87 -1.463 8.196 16.550 640 2HD LYS 87 2HD LYS 87 0.239 8.281 17.004 641 1HE LYS 87 1HE LYS 87 0.193 5.717 16.285 642 2HE LYS 87 2HE LYS 87 -1.521 5.883 16.661 643 1HZ LYS 87 1HZ LYS 87 -0.301 5.192 18.606 644 2HZ LYS 87 2HZ LYS 87 -0.900 6.764 18.841 645 3HZ LYS 87 3HZ LYS 87 0.742 6.523 18.475 646 H GLU 88 H GLU 88 -2.503 9.472 11.645 647 HA GLU 88 HA GLU 88 -4.751 7.776 10.931 648 1HB GLU 88 1HB GLU 88 -4.553 10.435 9.650 649 2HB GLU 88 2HB GLU 88 -4.471 10.450 11.412 650 1HG GLU 88 1HG GLU 88 -6.784 10.588 10.979 651 2HG GLU 88 2HG GLU 88 -6.536 8.872 11.303 652 H ASP 89 H ASP 89 -1.988 9.125 9.193 653 HA ASP 89 HA ASP 89 -2.894 8.661 6.526 654 1HB ASP 89 1HB ASP 89 -0.022 8.436 7.442 655 2HB ASP 89 2HB ASP 89 -0.848 9.985 7.302 656 H ALA 90 H ALA 90 -1.743 6.426 8.958 657 HA ALA 90 HA ALA 90 -0.953 4.321 7.120 658 1HB ALA 90 1HB ALA 90 -0.599 3.000 9.035 659 2HB ALA 90 2HB ALA 90 -1.818 3.866 9.969 660 3HB ALA 90 3HB ALA 90 -0.278 4.640 9.600 661 H LYS 91 H LYS 91 -4.012 5.547 7.644 662 HA LYS 91 HA LYS 91 -5.600 3.207 8.045 663 1HB LYS 91 1HB LYS 91 -6.885 5.137 6.286 664 2HB LYS 91 2HB LYS 91 -6.086 5.942 7.634 665 1HG LYS 91 1HG LYS 91 -8.242 5.428 8.466 666 2HG LYS 91 2HG LYS 91 -7.214 4.155 9.123 667 1HD LYS 91 1HD LYS 91 -8.872 2.816 8.259 668 2HD LYS 91 2HD LYS 91 -7.905 2.984 6.794 669 1HE LYS 91 1HE LYS 91 -9.311 4.866 6.066 670 2HE LYS 91 2HE LYS 91 -10.255 4.750 7.550 671 1HZ LYS 91 1HZ LYS 91 -10.907 2.511 6.922 672 2HZ LYS 91 2HZ LYS 91 -9.997 2.623 5.491 673 3HZ LYS 91 3HZ LYS 91 -11.352 3.622 5.720 674 H GLY 92 H GLY 92 -4.932 4.918 4.939 675 1HA GLY 92 1HA GLY 92 -5.603 3.956 2.786 676 2HA GLY 92 2HA GLY 92 -5.551 2.359 3.527 677 H LYS 93 H LYS 93 -2.873 3.421 4.831 678 HA LYS 93 HA LYS 93 -1.115 3.393 2.462 679 1HB LYS 93 1HB LYS 93 -0.923 4.221 5.275 680 2HB LYS 93 2HB LYS 93 -0.037 4.810 3.876 681 1HG LYS 93 1HG LYS 93 0.625 2.134 5.094 682 2HG LYS 93 2HG LYS 93 1.293 3.619 5.763 683 1HD LYS 93 1HD LYS 93 2.529 4.088 3.839 684 2HD LYS 93 2HD LYS 93 1.477 3.125 2.803 685 1HE LYS 93 1HE LYS 93 2.324 1.063 3.924 686 2HE LYS 93 2HE LYS 93 3.423 2.060 4.876 687 1HZ LYS 93 1HZ LYS 93 4.510 2.787 2.893 688 2HZ LYS 93 2HZ LYS 93 3.384 1.981 1.907 689 3HZ LYS 93 3HZ LYS 93 4.460 1.092 2.877 690 H SER 94 H SER 94 -2.188 1.286 5.065 691 HA SER 94 HA SER 94 -0.232 -0.728 5.041 692 1HB SER 94 1HB SER 94 -3.173 -1.374 5.175 693 2HB SER 94 2HB SER 94 -2.372 -0.501 6.479 694 HG SER 94 HG SER 94 -2.364 -2.794 6.765 695 H GLU 95 H GLU 95 -2.702 -0.052 2.592 696 HA GLU 95 HA GLU 95 -2.759 -2.538 1.235 697 1HB GLU 95 1HB GLU 95 -2.653 -0.197 -0.552 698 2HB GLU 95 2HB GLU 95 -3.810 -0.030 0.767 699 1HG GLU 95 1HG GLU 95 -4.956 -1.074 -1.091 700 2HG GLU 95 2HG GLU 95 -4.719 -2.302 0.153 701 H GLU 96 H GLU 96 -0.511 0.207 0.764 702 HA GLU 96 HA GLU 96 1.128 -1.170 -1.184 703 1HB GLU 96 1HB GLU 96 2.800 0.687 -0.531 704 2HB GLU 96 2HB GLU 96 1.514 1.306 0.507 705 1HG GLU 96 1HG GLU 96 0.077 1.001 -1.725 706 2HG GLU 96 2HG GLU 96 1.661 1.181 -2.480 707 H GLU 97 H GLU 97 1.105 -0.943 2.336 708 HA GLU 97 HA GLU 97 3.721 -1.891 2.906 709 1HB GLU 97 1HB GLU 97 1.353 -2.768 4.545 710 2HB GLU 97 2HB GLU 97 1.800 -1.063 4.503 711 1HG GLU 97 1HG GLU 97 3.184 -1.653 6.219 712 2HG GLU 97 2HG GLU 97 4.238 -2.206 4.919 713 H LEU 98 H LEU 98 0.699 -3.682 2.229 714 HA LEU 98 HA LEU 98 1.822 -6.307 2.590 715 1HB LEU 98 1HB LEU 98 -0.113 -6.899 0.898 716 2HB LEU 98 2HB LEU 98 -0.600 -5.231 1.168 717 HG LEU 98 HG LEU 98 0.049 -6.833 3.592 718 1HD1 LEU 98 1HD1 LEU 98 -1.913 -4.702 2.761 719 2HD1 LEU 98 2HD1 LEU 98 -0.701 -4.650 4.043 720 3HD1 LEU 98 3HD1 LEU 98 -2.162 -5.618 4.248 721 1HD2 LEU 98 1HD2 LEU 98 -2.232 -7.421 1.720 722 2HD2 LEU 98 2HD2 LEU 98 -2.465 -7.601 3.458 723 3HD2 LEU 98 3HD2 LEU 98 -1.226 -8.546 2.632 724 H ALA 99 H ALA 99 1.714 -4.064 -0.160 725 HA ALA 99 HA ALA 99 2.635 -5.926 -2.153 726 1HB ALA 99 1HB ALA 99 2.897 -4.064 -3.557 727 2HB ALA 99 2HB ALA 99 3.327 -2.996 -2.221 728 3HB ALA 99 3HB ALA 99 1.655 -3.516 -2.431 729 H ASN 100 H ASN 100 4.320 -3.949 0.247 730 HA ASN 100 HA ASN 100 6.974 -4.320 -0.831 731 1HB ASN 100 1HB ASN 100 6.458 -3.914 2.106 732 2HB ASN 100 2HB ASN 100 6.092 -2.613 0.974 733 1HD2 ASN 100 1HD2 ASN 100 7.834 -1.244 0.542 734 2HD2 ASN 100 2HD2 ASN 100 9.468 -1.660 0.724 735 H CYS 101 H CYS 101 5.263 -5.868 1.924 736 HA CYS 101 HA CYS 101 7.266 -7.865 2.411 737 1HB CYS 101 1HB CYS 101 5.220 -9.122 3.424 738 2HB CYS 101 2HB CYS 101 4.328 -7.646 3.056 739 HG CYS 101 HG CYS 101 5.294 -7.302 5.436 740 H PHE 102 H PHE 102 4.458 -7.743 0.258 741 HA PHE 102 HA PHE 102 4.351 -10.453 -0.556 742 1HB PHE 102 1HB PHE 102 3.804 -7.931 -2.160 743 2HB PHE 102 2HB PHE 102 2.633 -8.813 -1.184 744 HD1 PHE 102 HD1 PHE 102 2.022 -11.185 -1.831 745 HD2 PHE 102 HD2 PHE 102 4.324 -8.608 -4.381 746 HE1 PHE 102 HE1 PHE 102 1.509 -12.642 -3.770 747 HE2 PHE 102 HE2 PHE 102 3.811 -10.066 -6.317 748 HZ PHE 102 HZ PHE 102 2.397 -12.086 -6.007 749 NH1 ARG 103 NH1 ARG 103 12.558 -6.957 -6.660 750 NH2 ARG 103 NH2 ARG 103 11.151 -5.185 -6.760 751 H ARG 103 H ARG 103 6.213 -7.732 -1.979 752 HA ARG 103 HA ARG 103 7.543 -9.386 -3.937 753 1HB ARG 103 1HB ARG 103 9.027 -7.000 -3.071 754 2HB ARG 103 2HB ARG 103 7.345 -6.665 -3.481 755 1HG ARG 103 1HG ARG 103 8.402 -6.462 -5.561 756 2HG ARG 103 2HG ARG 103 7.846 -8.135 -5.598 757 1HD ARG 103 1HD ARG 103 10.080 -8.355 -6.261 758 2HD ARG 103 2HD ARG 103 10.191 -8.646 -4.526 759 HE ARG 103 HE ARG 103 11.012 -6.327 -4.271 760 1HH1 ARG 103 1HH1 ARG 103 11.642 -4.836 -7.558 761 2HH1 ARG 103 2HH1 ARG 103 10.366 -4.678 -6.397 762 1HH2 ARG 103 1HH2 ARG 103 12.850 -7.808 -6.221 763 2HH2 ARG 103 2HH2 ARG 103 13.051 -6.613 -7.458 764 H ILE 104 H ILE 104 8.421 -8.354 -0.638 765 HA ILE 104 HA ILE 104 11.109 -9.309 -0.643 766 HB ILE 104 HB ILE 104 9.085 -9.113 1.611 767 1HG1 ILE 104 1HG1 ILE 104 9.991 -7.038 0.321 768 2HG1 ILE 104 2HG1 ILE 104 11.511 -7.379 1.147 769 1HG2 ILE 104 1HG2 ILE 104 10.692 -10.698 2.374 770 2HG2 ILE 104 2HG2 ILE 104 11.220 -9.155 3.043 771 3HG2 ILE 104 3HG2 ILE 104 12.026 -9.822 1.624 772 1HD1 ILE 104 1HD1 ILE 104 8.823 -6.791 2.418 773 2HD1 ILE 104 2HD1 ILE 104 10.282 -5.805 2.504 774 3HD1 ILE 104 3HD1 ILE 104 10.223 -7.365 3.324 775 H PHE 105 H PHE 105 8.047 -11.021 -0.417 776 HA PHE 105 HA PHE 105 9.173 -13.494 0.602 777 1HB PHE 105 1HB PHE 105 6.879 -14.314 -0.524 778 2HB PHE 105 2HB PHE 105 6.536 -12.588 -0.445 779 HD1 PHE 105 HD1 PHE 105 5.901 -15.457 1.250 780 HD2 PHE 105 HD2 PHE 105 7.683 -11.613 1.966 781 HE1 PHE 105 HE1 PHE 105 5.396 -15.670 3.668 782 HE2 PHE 105 HE2 PHE 105 7.177 -11.828 4.382 783 HZ PHE 105 HZ PHE 105 6.033 -13.857 5.233 784 H ASP 106 H ASP 106 8.374 -12.284 -2.690 785 HA ASP 106 HA ASP 106 9.266 -14.843 -3.843 786 1HB ASP 106 1HB ASP 106 7.605 -13.981 -5.220 787 2HB ASP 106 2HB ASP 106 9.054 -13.454 -6.064 788 H LYS 107 H LYS 107 11.410 -14.991 -3.154 789 HA LYS 107 HA LYS 107 13.385 -12.929 -3.598 790 1HB LYS 107 1HB LYS 107 15.021 -14.716 -3.072 791 2HB LYS 107 2HB LYS 107 13.727 -15.914 -3.154 792 1HG LYS 107 1HG LYS 107 12.525 -14.566 -1.366 793 2HG LYS 107 2HG LYS 107 14.007 -13.623 -1.187 794 1HD LYS 107 1HD LYS 107 14.339 -16.574 -1.132 795 2HD LYS 107 2HD LYS 107 13.482 -15.875 0.243 796 1HE LYS 107 1HE LYS 107 15.334 -14.735 0.988 797 2HE LYS 107 2HE LYS 107 15.964 -14.484 -0.639 798 1HZ LYS 107 1HZ LYS 107 15.966 -17.082 0.802 799 2HZ LYS 107 2HZ LYS 107 17.308 -16.049 0.652 800 3HZ LYS 107 3HZ LYS 107 16.637 -16.781 -0.727 801 H ASN 108 H ASN 108 11.880 -15.176 -5.722 802 HA ASN 108 HA ASN 108 14.140 -15.319 -7.603 803 1HB ASN 108 1HB ASN 108 12.082 -16.317 -9.021 804 2HB ASN 108 2HB ASN 108 11.416 -16.520 -7.400 805 1HD2 ASN 108 1HD2 ASN 108 13.040 -17.621 -5.788 806 2HD2 ASN 108 2HD2 ASN 108 13.998 -18.872 -6.421 807 H ALA 109 H ALA 109 11.486 -13.211 -6.954 808 HA ALA 109 HA ALA 109 10.744 -11.278 -8.016 809 1HB ALA 109 1HB ALA 109 13.328 -11.078 -8.267 810 2HB ALA 109 2HB ALA 109 12.303 -10.059 -9.279 811 3HB ALA 109 3HB ALA 109 13.039 -11.514 -9.952 812 H ASP 110 H ASP 110 9.385 -13.485 -8.771 813 HA ASP 110 HA ASP 110 9.268 -13.468 -11.751 814 1HB ASP 110 1HB ASP 110 7.609 -15.298 -10.049 815 2HB ASP 110 2HB ASP 110 9.337 -15.615 -10.191 816 H GLY 111 H GLY 111 7.514 -12.494 -8.881 817 1HA GLY 111 1HA GLY 111 5.178 -11.714 -10.578 818 2HA GLY 111 2HA GLY 111 5.877 -10.605 -9.402 819 H PHE 112 H PHE 112 5.524 -14.085 -8.866 820 HA PHE 112 HA PHE 112 3.571 -13.452 -6.690 821 1HB PHE 112 1HB PHE 112 2.349 -15.498 -7.171 822 2HB PHE 112 2HB PHE 112 3.504 -15.941 -8.423 823 HD1 PHE 112 HD1 PHE 112 1.738 -12.716 -7.606 824 HD2 PHE 112 HD2 PHE 112 2.488 -15.790 -10.513 825 HE1 PHE 112 HE1 PHE 112 0.418 -11.454 -9.280 826 HE2 PHE 112 HE2 PHE 112 1.168 -14.525 -12.187 827 HZ PHE 112 HZ PHE 112 0.134 -12.357 -11.573 828 H ILE 113 H ILE 113 3.555 -15.176 -4.984 829 HA ILE 113 HA ILE 113 6.341 -15.990 -4.404 830 HB ILE 113 HB ILE 113 3.793 -15.969 -2.765 831 1HG1 ILE 113 1HG1 ILE 113 6.372 -14.396 -2.800 832 2HG1 ILE 113 2HG1 ILE 113 5.370 -14.469 -1.351 833 1HG2 ILE 113 1HG2 ILE 113 5.420 -16.604 -0.865 834 2HG2 ILE 113 2HG2 ILE 113 6.497 -17.165 -2.142 835 3HG2 ILE 113 3HG2 ILE 113 4.904 -17.898 -1.946 836 1HD1 ILE 113 1HD1 ILE 113 4.467 -12.603 -2.363 837 2HD1 ILE 113 2HD1 ILE 113 3.439 -13.856 -3.058 838 3HD1 ILE 113 3HD1 ILE 113 4.784 -13.200 -3.992 839 H ASP 114 H ASP 114 7.031 -17.975 -5.003 840 HA ASP 114 HA ASP 114 5.094 -20.101 -5.670 841 1HB ASP 114 1HB ASP 114 7.097 -21.367 -6.393 842 2HB ASP 114 2HB ASP 114 8.127 -20.086 -5.764 843 H ILE 115 H ILE 115 5.539 -22.356 -4.776 844 HA ILE 115 HA ILE 115 5.530 -22.298 -1.903 845 HB ILE 115 HB ILE 115 4.557 -24.035 -3.662 846 1HG1 ILE 115 1HG1 ILE 115 4.171 -25.532 -1.860 847 2HG1 ILE 115 2HG1 ILE 115 4.281 -23.934 -1.139 848 1HG2 ILE 115 1HG2 ILE 115 5.886 -26.091 -3.782 849 2HG2 ILE 115 2HG2 ILE 115 7.199 -25.314 -2.896 850 3HG2 ILE 115 3HG2 ILE 115 6.768 -24.749 -4.509 851 1HD1 ILE 115 1HD1 ILE 115 6.223 -24.422 -0.033 852 2HD1 ILE 115 2HD1 ILE 115 6.837 -25.435 -1.338 853 3HD1 ILE 115 3HD1 ILE 115 5.652 -26.081 -0.205 854 H GLU 116 H GLU 116 8.056 -22.799 -4.310 855 HA GLU 116 HA GLU 116 10.040 -23.912 -2.548 856 1HB GLU 116 1HB GLU 116 10.240 -23.965 -5.027 857 2HB GLU 116 2HB GLU 116 11.661 -23.245 -4.274 858 1HG GLU 116 1HG GLU 116 11.108 -21.089 -4.982 859 2HG GLU 116 2HG GLU 116 9.391 -21.467 -5.120 860 H GLU 117 H GLU 117 9.167 -20.575 -3.423 861 HA GLU 117 HA GLU 117 11.285 -19.284 -1.974 862 1HB GLU 117 1HB GLU 117 9.445 -17.365 -1.973 863 2HB GLU 117 2HB GLU 117 8.634 -18.445 -3.105 864 1HG GLU 117 1HG GLU 117 11.392 -18.310 -3.857 865 2HG GLU 117 2HG GLU 117 10.821 -16.665 -3.607 866 H LEU 118 H LEU 118 7.896 -20.056 -1.108 867 HA LEU 118 HA LEU 118 8.076 -18.971 1.559 868 1HB LEU 118 1HB LEU 118 6.142 -21.103 0.642 869 2HB LEU 118 2HB LEU 118 5.942 -19.396 0.242 870 HG LEU 118 HG LEU 118 6.490 -19.970 3.099 871 1HD1 LEU 118 1HD1 LEU 118 4.203 -18.394 1.927 872 2HD1 LEU 118 2HD1 LEU 118 5.842 -17.748 1.878 873 3HD1 LEU 118 3HD1 LEU 118 5.084 -18.115 3.428 874 1HD2 LEU 118 1HD2 LEU 118 3.835 -20.706 1.818 875 2HD2 LEU 118 2HD2 LEU 118 4.180 -20.693 3.548 876 3HD2 LEU 118 3HD2 LEU 118 4.991 -21.853 2.496 877 H GLY 119 H GLY 119 8.392 -22.295 0.281 878 1HA GLY 119 1HA GLY 119 9.390 -24.184 1.246 879 2HA GLY 119 2HA GLY 119 8.549 -23.699 2.711 880 H GLU 120 H GLU 120 11.177 -21.981 0.991 881 HA GLU 120 HA GLU 120 13.218 -22.788 2.872 882 1HB GLU 120 1HB GLU 120 14.391 -20.678 1.890 883 2HB GLU 120 2HB GLU 120 13.038 -20.661 0.754 884 1HG GLU 120 1HG GLU 120 13.639 -22.725 -0.184 885 2HG GLU 120 2HG GLU 120 14.561 -23.215 1.238 886 H ILE 121 H ILE 121 11.438 -19.675 2.484 887 HA ILE 121 HA ILE 121 12.590 -18.403 4.745 888 HB ILE 121 HB ILE 121 10.478 -17.024 4.814 889 1HG1 ILE 121 1HG1 ILE 121 8.960 -18.853 4.027 890 2HG1 ILE 121 2HG1 ILE 121 9.697 -18.728 2.433 891 1HG2 ILE 121 1HG2 ILE 121 10.952 -15.900 2.734 892 2HG2 ILE 121 2HG2 ILE 121 11.611 -17.375 2.027 893 3HG2 ILE 121 3HG2 ILE 121 12.476 -16.560 3.329 894 1HD1 ILE 121 1HD1 ILE 121 8.630 -16.764 1.953 895 2HD1 ILE 121 2HD1 ILE 121 8.743 -16.179 3.613 896 3HD1 ILE 121 3HD1 ILE 121 7.487 -17.334 3.169 897 H LEU 122 H LEU 122 9.870 -20.681 4.538 898 HA LEU 122 HA LEU 122 8.937 -20.448 7.224 899 1HB LEU 122 1HB LEU 122 8.440 -23.021 6.791 900 2HB LEU 122 2HB LEU 122 8.901 -22.612 5.143 901 HG LEU 122 HG LEU 122 6.717 -22.045 4.901 902 1HD1 LEU 122 1HD1 LEU 122 6.062 -23.103 6.992 903 2HD1 LEU 122 2HD1 LEU 122 5.217 -21.563 6.843 904 3HD1 LEU 122 3HD1 LEU 122 6.614 -21.704 7.911 905 1HD2 LEU 122 1HD2 LEU 122 6.171 -19.736 5.426 906 2HD2 LEU 122 2HD2 LEU 122 7.872 -19.810 4.977 907 3HD2 LEU 122 3HD2 LEU 122 7.414 -19.680 6.674 908 NH1 ARG 123 NH1 ARG 123 14.809 -28.349 9.387 909 NH2 ARG 123 NH2 ARG 123 16.071 -26.627 8.622 910 H ARG 123 H ARG 123 11.425 -22.632 5.824 911 HA ARG 123 HA ARG 123 12.170 -23.724 8.411 912 1HB ARG 123 1HB ARG 123 14.296 -24.384 7.016 913 2HB ARG 123 2HB ARG 123 13.348 -23.813 5.644 914 1HG ARG 123 1HG ARG 123 12.775 -26.086 5.741 915 2HG ARG 123 2HG ARG 123 11.464 -25.331 6.645 916 1HD ARG 123 1HD ARG 123 12.087 -27.037 8.105 917 2HD ARG 123 2HD ARG 123 13.081 -25.707 8.703 918 HE ARG 123 HE ARG 123 14.287 -27.519 6.682 919 1HH1 ARG 123 1HH1 ARG 123 15.474 -28.517 10.115 920 2HH1 ARG 123 2HH1 ARG 123 13.993 -28.925 9.316 921 1HH2 ARG 123 1HH2 ARG 123 16.221 -25.886 7.966 922 2HH2 ARG 123 2HH2 ARG 123 16.739 -26.792 9.348 923 H ALA 124 H ALA 124 13.386 -21.075 6.375 924 HA ALA 124 HA ALA 124 15.808 -20.493 7.686 925 1HB ALA 124 1HB ALA 124 13.796 -18.690 6.334 926 2HB ALA 124 2HB ALA 124 15.297 -19.333 5.666 927 3HB ALA 124 3HB ALA 124 15.349 -18.101 6.929 928 H THR 125 H THR 125 12.519 -19.820 8.790 929 HA THR 125 HA THR 125 13.163 -17.803 10.713 930 HB THR 125 HB THR 125 10.845 -18.401 9.925 931 HG1 THR 125 HG1 THR 125 11.171 -18.495 12.740 932 1HG2 THR 125 1HG2 THR 125 11.494 -20.955 10.635 933 2HG2 THR 125 2HG2 THR 125 9.842 -20.374 10.436 934 3HG2 THR 125 3HG2 THR 125 10.564 -20.439 12.042 935 H GLY 126 H GLY 126 13.625 -21.283 10.810 936 1HA GLY 126 1HA GLY 126 14.746 -20.959 13.559 937 2HA GLY 126 2HA GLY 126 15.263 -22.180 12.401 938 H GLU 127 H GLU 127 11.860 -21.454 12.926 939 HA GLU 127 HA GLU 127 11.260 -23.348 14.956 940 1HB GLU 127 1HB GLU 127 8.945 -23.361 13.890 941 2HB GLU 127 2HB GLU 127 9.605 -22.296 12.649 942 1HG GLU 127 1HG GLU 127 10.385 -20.794 14.584 943 2HG GLU 127 2HG GLU 127 9.335 -21.767 15.615 944 H HIS 128 H HIS 128 10.757 -25.546 14.897 945 HA HIS 128 HA HIS 128 11.800 -27.046 12.598 946 1HB HIS 128 1HB HIS 128 11.253 -29.042 14.038 947 2HB HIS 128 2HB HIS 128 10.626 -27.929 15.253 948 HD1 HIS 128 HD1 HIS 128 13.771 -29.330 13.898 949 HD2 HIS 128 HD2 HIS 128 12.673 -26.165 16.382 950 HE1 HIS 128 HE1 HIS 128 15.886 -28.562 15.059 951 H VAL 129 H VAL 129 10.134 -26.303 11.057 952 HA VAL 129 HA VAL 129 7.425 -27.460 11.483 953 HB VAL 129 HB VAL 129 7.538 -25.113 10.751 954 1HG1 VAL 129 1HG1 VAL 129 8.993 -26.277 8.365 955 2HG1 VAL 129 2HG1 VAL 129 9.605 -25.078 9.505 956 3HG1 VAL 129 3HG1 VAL 129 8.306 -24.654 8.390 957 1HG2 VAL 129 1HG2 VAL 129 6.535 -26.832 8.477 958 2HG2 VAL 129 2HG2 VAL 129 5.924 -25.257 8.984 959 3HG2 VAL 129 3HG2 VAL 129 5.683 -26.670 10.013 960 H ILE 130 H ILE 130 6.462 -28.719 9.740 961 HA ILE 130 HA ILE 130 8.509 -30.364 8.316 962 HB ILE 130 HB ILE 130 6.272 -31.850 8.062 963 1HG1 ILE 130 1HG1 ILE 130 5.045 -30.042 9.451 964 2HG1 ILE 130 2HG1 ILE 130 5.944 -30.678 10.828 965 1HG2 ILE 130 1HG2 ILE 130 7.078 -33.109 10.052 966 2HG2 ILE 130 2HG2 ILE 130 8.092 -31.733 10.484 967 3HG2 ILE 130 3HG2 ILE 130 8.398 -32.620 8.990 968 1HD1 ILE 130 1HD1 ILE 130 4.353 -32.493 9.010 969 2HD1 ILE 130 2HD1 ILE 130 3.600 -31.672 10.377 970 3HD1 ILE 130 3HD1 ILE 130 4.920 -32.809 10.651 971 H GLU 131 H GLU 131 8.261 -30.793 6.096 972 HA GLU 131 HA GLU 131 6.937 -28.756 4.538 973 1HB GLU 131 1HB GLU 131 8.524 -31.229 3.984 974 2HB GLU 131 2HB GLU 131 8.744 -29.595 3.362 975 1HG GLU 131 1HG GLU 131 6.672 -29.937 1.959 976 2HG GLU 131 2HG GLU 131 6.673 -31.621 2.482 977 H GLU 132 H GLU 132 6.073 -32.017 5.586 978 HA GLU 132 HA GLU 132 3.828 -32.436 3.867 979 1HB GLU 132 1HB GLU 132 3.028 -33.957 5.726 980 2HB GLU 132 2HB GLU 132 4.399 -33.402 6.685 981 1HG GLU 132 1HG GLU 132 5.963 -34.426 5.275 982 2HG GLU 132 2HG GLU 132 4.848 -34.470 3.908 983 H ASP 133 H ASP 133 4.224 -30.597 6.880 984 HA ASP 133 HA ASP 133 1.344 -30.083 7.130 985 1HB ASP 133 1HB ASP 133 3.490 -28.490 8.519 986 2HB ASP 133 2HB ASP 133 3.142 -30.144 9.022 987 H ILE 134 H ILE 134 4.222 -28.285 6.032 988 HA ILE 134 HA ILE 134 2.856 -25.805 5.513 989 HB ILE 134 HB ILE 134 5.375 -26.924 4.230 990 1HG1 ILE 134 1HG1 ILE 134 5.195 -26.577 6.827 991 2HG1 ILE 134 2HG1 ILE 134 5.267 -24.862 6.426 992 1HG2 ILE 134 1HG2 ILE 134 4.257 -24.108 4.378 993 2HG2 ILE 134 2HG2 ILE 134 4.451 -25.083 2.922 994 3HG2 ILE 134 3HG2 ILE 134 5.872 -24.514 3.798 995 1HD1 ILE 134 1HD1 ILE 134 7.279 -26.507 5.031 996 2HD1 ILE 134 2HD1 ILE 134 7.464 -26.478 6.784 997 3HD1 ILE 134 3HD1 ILE 134 7.470 -24.969 5.873 998 H GLU 135 H GLU 135 3.687 -28.568 3.395 999 HA GLU 135 HA GLU 135 2.635 -27.498 0.976 1000 1HB GLU 135 1HB GLU 135 2.473 -30.434 1.653 1001 2HB GLU 135 2HB GLU 135 4.033 -29.657 1.385 1002 1HG GLU 135 1HG GLU 135 1.870 -29.176 -0.623 1003 2HG GLU 135 2HG GLU 135 2.664 -30.751 -0.628 1004 H ASP 136 H ASP 136 1.055 -29.723 3.306 1005 HA ASP 136 HA ASP 136 -1.504 -29.730 2.061 1006 1HB ASP 136 1HB ASP 136 -1.452 -29.896 5.022 1007 2HB ASP 136 2HB ASP 136 -0.422 -31.051 4.174 1008 H LEU 137 H LEU 137 -0.038 -27.453 4.347 1009 HA LEU 137 HA LEU 137 -2.392 -26.031 5.098 1010 1HB LEU 137 1HB LEU 137 0.319 -24.754 4.674 1011 2HB LEU 137 2HB LEU 137 -0.012 -25.809 6.047 1012 HG LEU 137 HG LEU 137 -1.796 -23.463 5.403 1013 1HD1 LEU 137 1HD1 LEU 137 -1.242 -25.185 7.830 1014 2HD1 LEU 137 2HD1 LEU 137 -2.766 -24.994 6.964 1015 3HD1 LEU 137 3HD1 LEU 137 -2.130 -23.665 7.931 1016 1HD2 LEU 137 1HD2 LEU 137 0.558 -22.669 5.669 1017 2HD2 LEU 137 2HD2 LEU 137 0.618 -23.463 7.243 1018 3HD2 LEU 137 3HD2 LEU 137 -0.492 -22.119 6.974 1019 H MET 138 H MET 138 -0.162 -25.584 2.343 1020 HA MET 138 HA MET 138 -1.559 -23.298 1.257 1021 1HB MET 138 1HB MET 138 -0.064 -25.025 -0.628 1022 2HB MET 138 2HB MET 138 0.863 -24.447 0.756 1023 1HG MET 138 1HG MET 138 0.587 -22.202 0.164 1024 2HG MET 138 2HG MET 138 -0.868 -22.526 -0.777 1025 1HE MET 138 1HE MET 138 -0.177 -21.670 -3.528 1026 2HE MET 138 2HE MET 138 1.425 -20.986 -3.260 1027 3HE MET 138 3HE MET 138 0.182 -20.810 -2.024 1028 H LYS 139 H LYS 139 -2.078 -26.761 1.048 1029 HA LYS 139 HA LYS 139 -3.576 -26.884 -1.381 1030 1HB LYS 139 1HB LYS 139 -4.540 -28.955 -0.489 1031 2HB LYS 139 2HB LYS 139 -4.008 -28.531 1.135 1032 1HG LYS 139 1HG LYS 139 -2.452 -30.141 0.161 1033 2HG LYS 139 2HG LYS 139 -1.644 -28.589 0.345 1034 1HD LYS 139 1HD LYS 139 -1.048 -29.153 -1.839 1035 2HD LYS 139 2HD LYS 139 -2.502 -28.198 -2.127 1036 1HE LYS 139 1HE LYS 139 -3.815 -30.364 -2.071 1037 2HE LYS 139 2HE LYS 139 -2.274 -31.220 -2.043 1038 1HZ LYS 139 1HZ LYS 139 -3.128 -31.004 -4.292 1039 2HZ LYS 139 2HZ LYS 139 -1.673 -30.147 -4.119 1040 3HZ LYS 139 3HZ LYS 139 -3.154 -29.315 -4.146 1041 H ASP 140 H ASP 140 -4.544 -26.093 1.943 1042 HA ASP 140 HA ASP 140 -7.369 -25.787 1.222 1043 1HB ASP 140 1HB ASP 140 -6.273 -24.658 3.760 1044 2HB ASP 140 2HB ASP 140 -6.198 -26.408 3.553 1045 H SER 141 H SER 141 -4.531 -23.731 1.521 1046 HA SER 141 HA SER 141 -6.057 -21.236 1.528 1047 1HB SER 141 1HB SER 141 -3.806 -20.191 1.208 1048 2HB SER 141 2HB SER 141 -3.112 -21.805 1.094 1049 HG SER 141 HG SER 141 -3.128 -21.892 3.170 1050 H ASP 142 H ASP 142 -5.166 -23.482 -0.913 1051 HA ASP 142 HA ASP 142 -4.842 -21.550 -3.071 1052 1HB ASP 142 1HB ASP 142 -5.559 -24.019 -4.177 1053 2HB ASP 142 2HB ASP 142 -4.678 -24.435 -2.713 1054 H LYS 143 H LYS 143 -6.715 -20.242 -3.012 1055 HA LYS 143 HA LYS 143 -9.397 -21.354 -2.967 1056 1HB LYS 143 1HB LYS 143 -10.062 -18.993 -3.573 1057 2HB LYS 143 2HB LYS 143 -8.346 -18.594 -3.639 1058 1HG LYS 143 1HG LYS 143 -8.569 -19.895 -1.209 1059 2HG LYS 143 2HG LYS 143 -10.088 -19.003 -1.306 1060 1HD LYS 143 1HD LYS 143 -7.652 -17.505 -2.115 1061 2HD LYS 143 2HD LYS 143 -7.769 -17.912 -0.404 1062 1HE LYS 143 1HE LYS 143 -8.872 -15.827 -0.556 1063 2HE LYS 143 2HE LYS 143 -10.192 -16.995 -0.567 1064 1HZ LYS 143 1HZ LYS 143 -8.965 -15.997 -3.070 1065 2HZ LYS 143 2HZ LYS 143 -10.250 -15.186 -2.312 1066 3HZ LYS 143 3HZ LYS 143 -10.458 -16.778 -2.867 1067 H ASN 144 H ASN 144 -7.311 -20.018 -5.549 1068 HA ASN 144 HA ASN 144 -9.341 -20.857 -7.558 1069 1HB ASN 144 1HB ASN 144 -7.679 -19.613 -9.122 1070 2HB ASN 144 2HB ASN 144 -6.975 -18.994 -7.629 1071 1HD2 ASN 144 1HD2 ASN 144 -9.495 -18.505 -9.907 1072 2HD2 ASN 144 2HD2 ASN 144 -10.402 -17.390 -9.006 1073 H ASN 145 H ASN 145 -6.689 -22.205 -6.052 1074 HA ASN 145 HA ASN 145 -5.331 -24.020 -6.543 1075 1HB ASN 145 1HB ASN 145 -6.942 -24.596 -9.010 1076 2HB ASN 145 2HB ASN 145 -7.703 -24.767 -7.428 1077 1HD2 ASN 145 1HD2 ASN 145 -6.706 -26.360 -5.909 1078 2HD2 ASN 145 2HD2 ASN 145 -5.743 -27.618 -6.516 1079 H ASP 146 H ASP 146 -3.910 -22.022 -7.179 1080 HA ASP 146 HA ASP 146 -3.170 -22.190 -10.070 1081 1HB ASP 146 1HB ASP 146 -1.855 -20.027 -9.391 1082 2HB ASP 146 2HB ASP 146 -2.937 -20.019 -7.999 1083 H GLY 147 H GLY 147 -1.942 -22.425 -6.755 1084 1HA GLY 147 1HA GLY 147 0.560 -23.619 -7.863 1085 2HA GLY 147 2HA GLY 147 -0.133 -24.032 -6.294 1086 NH1 ARG 148 NH1 ARG 148 0.558 -20.468 -11.008 1087 NH2 ARG 148 NH2 ARG 148 2.393 -21.097 -12.186 1088 H ARG 148 H ARG 148 0.145 -20.728 -7.556 1089 HA ARG 148 HA ARG 148 2.282 -20.185 -5.545 1090 1HB ARG 148 1HB ARG 148 2.638 -18.116 -7.013 1091 2HB ARG 148 2HB ARG 148 1.575 -18.893 -8.182 1092 1HG ARG 148 1HG ARG 148 3.822 -20.502 -7.052 1093 2HG ARG 148 2HG ARG 148 4.209 -19.261 -8.240 1094 1HD ARG 148 1HD ARG 148 2.090 -21.379 -8.670 1095 2HD ARG 148 2HD ARG 148 3.751 -21.537 -9.234 1096 HE ARG 148 HE ARG 148 2.989 -19.122 -10.302 1097 1HH1 ARG 148 1HH1 ARG 148 -0.033 -20.851 -11.717 1098 2HH1 ARG 148 2HH1 ARG 148 0.153 -20.035 -10.201 1099 1HH2 ARG 148 1HH2 ARG 148 3.389 -21.146 -12.278 1100 2HH2 ARG 148 2HH2 ARG 148 1.806 -21.482 -12.898 1101 H ILE 149 H ILE 149 2.210 -17.854 -4.762 1102 HA ILE 149 HA ILE 149 -0.605 -17.140 -4.046 1103 HB ILE 149 HB ILE 149 2.022 -16.452 -2.679 1104 1HG1 ILE 149 1HG1 ILE 149 0.739 -18.837 -2.579 1105 2HG1 ILE 149 2HG1 ILE 149 -0.140 -17.976 -1.315 1106 1HG2 ILE 149 1HG2 ILE 149 0.540 -15.535 -0.893 1107 2HG2 ILE 149 2HG2 ILE 149 -0.846 -15.785 -1.952 1108 3HG2 ILE 149 3HG2 ILE 149 0.415 -14.639 -2.406 1109 1HD1 ILE 149 1HD1 ILE 149 2.800 -18.620 -1.472 1110 2HD1 ILE 149 2HD1 ILE 149 1.674 -18.917 -0.148 1111 3HD1 ILE 149 3HD1 ILE 149 2.232 -17.278 -0.480 1112 H ASP 150 H ASP 150 -1.389 -15.386 -5.123 1113 HA ASP 150 HA ASP 150 0.558 -13.531 -6.399 1114 1HB ASP 150 1HB ASP 150 -1.442 -12.696 -7.654 1115 2HB ASP 150 2HB ASP 150 -2.437 -13.861 -6.796 1116 H PHE 151 H PHE 151 -0.101 -11.151 -6.349 1117 HA PHE 151 HA PHE 151 -0.270 -10.233 -3.655 1118 1HB PHE 151 1HB PHE 151 -0.959 -8.679 -6.168 1119 2HB PHE 151 2HB PHE 151 0.677 -8.909 -5.552 1120 HD1 PHE 151 HD1 PHE 151 -1.938 -6.644 -5.640 1121 HD2 PHE 151 HD2 PHE 151 0.789 -8.429 -2.841 1122 HE1 PHE 151 HE1 PHE 151 -2.249 -4.720 -4.110 1123 HE2 PHE 151 HE2 PHE 151 0.476 -6.505 -1.311 1124 HZ PHE 151 HZ PHE 151 -1.042 -4.650 -1.946 1125 H ASP 152 H ASP 152 -2.757 -10.995 -6.011 1126 HA ASP 152 HA ASP 152 -4.957 -9.588 -4.845 1127 1HB ASP 152 1HB ASP 152 -6.374 -11.298 -5.966 1128 2HB ASP 152 2HB ASP 152 -4.933 -12.260 -6.291 1129 H GLU 153 H GLU 153 -3.997 -13.016 -4.433 1130 HA GLU 153 HA GLU 153 -5.763 -13.476 -2.194 1131 1HB GLU 153 1HB GLU 153 -4.129 -15.484 -1.853 1132 2HB GLU 153 2HB GLU 153 -3.411 -14.952 -3.372 1133 1HG GLU 153 1HG GLU 153 -6.387 -15.225 -3.269 1134 2HG GLU 153 2HG GLU 153 -5.431 -16.707 -3.311 1135 H PHE 154 H PHE 154 -2.470 -12.261 -2.504 1136 HA PHE 154 HA PHE 154 -1.508 -12.649 0.128 1137 1HB PHE 154 1HB PHE 154 -1.006 -10.173 -1.547 1138 2HB PHE 154 2HB PHE 154 -0.213 -11.719 -1.847 1139 HD1 PHE 154 HD1 PHE 154 1.199 -12.756 -0.029 1140 HD2 PHE 154 HD2 PHE 154 -0.302 -8.739 0.237 1141 HE1 PHE 154 HE1 PHE 154 2.853 -12.259 1.747 1142 HE2 PHE 154 HE2 PHE 154 1.355 -8.245 2.014 1143 HZ PHE 154 HZ PHE 154 2.930 -10.002 2.770 1144 H LEU 155 H LEU 155 -3.869 -10.335 -1.090 1145 HA LEU 155 HA LEU 155 -3.849 -8.435 1.015 1146 1HB LEU 155 1HB LEU 155 -6.229 -8.026 0.402 1147 2HB LEU 155 2HB LEU 155 -6.200 -9.475 -0.600 1148 HG LEU 155 HG LEU 155 -4.197 -8.412 -1.800 1149 1HD1 LEU 155 1HD1 LEU 155 -5.683 -6.965 -3.191 1150 2HD1 LEU 155 2HD1 LEU 155 -6.932 -7.110 -1.955 1151 3HD1 LEU 155 3HD1 LEU 155 -6.400 -8.538 -2.843 1152 1HD2 LEU 155 1HD2 LEU 155 -3.894 -6.687 0.060 1153 2HD2 LEU 155 2HD2 LEU 155 -5.317 -5.872 -0.588 1154 3HD2 LEU 155 3HD2 LEU 155 -3.871 -6.049 -1.583 1155 H LYS 156 H LYS 156 -6.025 -11.269 0.679 1156 HA LYS 156 HA LYS 156 -6.949 -11.097 3.424 1157 1HB LYS 156 1HB LYS 156 -7.052 -13.669 1.882 1158 2HB LYS 156 2HB LYS 156 -7.999 -12.298 1.302 1159 1HG LYS 156 1HG LYS 156 -9.219 -12.158 3.356 1160 2HG LYS 156 2HG LYS 156 -8.104 -13.254 4.172 1161 1HD LYS 156 1HD LYS 156 -8.943 -15.138 3.061 1162 2HD LYS 156 2HD LYS 156 -9.599 -14.182 1.730 1163 1HE LYS 156 1HE LYS 156 -11.467 -13.510 2.967 1164 2HE LYS 156 2HE LYS 156 -10.671 -13.792 4.514 1165 1HZ LYS 156 1HZ LYS 156 -12.343 -15.484 3.989 1166 2HZ LYS 156 2HZ LYS 156 -10.788 -16.151 4.143 1167 3HZ LYS 156 3HZ LYS 156 -11.468 -15.921 2.603 1168 H MET 157 H MET 157 -4.260 -12.692 1.823 1169 HA MET 157 HA MET 157 -3.601 -14.650 3.783 1170 1HB MET 157 1HB MET 157 -1.291 -13.334 2.525 1171 2HB MET 157 2HB MET 157 -2.532 -13.824 1.373 1172 1HG MET 157 1HG MET 157 -1.643 -15.891 1.490 1173 2HG MET 157 2HG MET 157 -2.339 -15.997 3.107 1174 1HE MET 157 1HE MET 157 1.984 -15.432 1.838 1175 2HE MET 157 2HE MET 157 0.653 -14.572 1.069 1176 3HE MET 157 3HE MET 157 0.683 -16.333 1.049 1177 H MET 158 H MET 158 -2.681 -11.214 3.533 1178 HA MET 158 HA MET 158 -1.734 -11.368 6.361 1179 1HB MET 158 1HB MET 158 -0.593 -9.323 4.496 1180 2HB MET 158 2HB MET 158 -0.013 -10.982 4.356 1181 1HG MET 158 1HG MET 158 0.127 -10.736 7.023 1182 2HG MET 158 2HG MET 158 0.314 -9.036 6.596 1183 1HE MET 158 1HE MET 158 1.885 -7.980 5.960 1184 2HE MET 158 2HE MET 158 2.677 -8.437 4.454 1185 3HE MET 158 3HE MET 158 3.588 -8.452 5.961 1186 H GLU 159 H GLU 159 -4.323 -10.849 6.029 1187 HA GLU 159 HA GLU 159 -5.060 -8.138 5.464 1188 1HB GLU 159 1HB GLU 159 -6.744 -9.896 5.501 1189 2HB GLU 159 2HB GLU 159 -7.150 -8.689 6.720 1190 1HG GLU 159 1HG GLU 159 -5.768 -10.245 8.326 1191 2HG GLU 159 2HG GLU 159 -6.066 -11.471 7.095 1192 H GLY 160 H GLY 160 -3.564 -9.588 8.262 1193 1HA GLY 160 1HA GLY 160 -4.389 -7.706 10.259 1194 2HA GLY 160 2HA GLY 160 -2.932 -7.103 9.471 1195 H VAL 161 H VAL 161 -4.231 -9.996 11.138 1196 HA VAL 161 HA VAL 161 -1.453 -10.517 12.121 1197 HB VAL 161 HB VAL 161 -3.145 -9.801 13.846 1198 1HG1 VAL 161 1HG1 VAL 161 -4.867 -11.458 12.511 1199 2HG1 VAL 161 2HG1 VAL 161 -5.118 -10.877 14.157 1200 3HG1 VAL 161 3HG1 VAL 161 -4.407 -12.466 13.882 1201 1HG2 VAL 161 1HG2 VAL 161 -1.140 -11.584 14.070 1202 2HG2 VAL 161 2HG2 VAL 161 -2.488 -12.626 14.525 1203 3HG2 VAL 161 3HG2 VAL 161 -2.171 -11.148 15.431 1204 H GLN 162 H GLN 162 -2.239 -11.555 9.633 1205 HA GLN 162 HA GLN 162 -2.513 -14.471 10.261 1206 1HB GLN 162 1HB GLN 162 -3.404 -14.437 7.746 1207 2HB GLN 162 2HB GLN 162 -3.840 -12.783 8.179 1208 1HG GLN 162 1HG GLN 162 -5.091 -13.612 10.128 1209 2HG GLN 162 2HG GLN 162 -4.620 -15.267 9.741 1210 1HE2 GLN 162 1HE2 GLN 162 -5.231 -15.876 7.304 1211 2HE2 GLN 162 2HE2 GLN 162 -6.770 -15.369 6.798 Start of MODEL 14 Raw file had 1211 H/Q atoms Start of MODEL 14 1 1H ALA 1 1H ALA 1 -16.318 34.523 2.477 2 2H ALA 1 2H ALA 1 -16.143 33.018 3.248 3 3H ALA 1 3H ALA 1 -17.546 33.943 3.493 4 HA ALA 1 HA ALA 1 -17.980 32.110 1.982 5 1HB ALA 1 1HB ALA 1 -18.961 33.452 0.161 6 2HB ALA 1 2HB ALA 1 -17.965 34.830 0.629 7 3HB ALA 1 3HB ALA 1 -19.221 34.238 1.718 8 H SER 2 H SER 2 -16.525 30.678 1.124 9 HA SER 2 HA SER 2 -14.916 31.592 -1.210 10 1HB SER 2 1HB SER 2 -13.084 29.983 -0.259 11 2HB SER 2 2HB SER 2 -13.893 30.251 1.283 12 HG SER 2 HG SER 2 -12.121 31.787 0.313 13 H MET 3 H MET 3 -15.280 30.245 -2.897 14 HA MET 3 HA MET 3 -16.429 27.544 -2.341 15 1HB MET 3 1HB MET 3 -17.799 29.038 -3.755 16 2HB MET 3 2HB MET 3 -17.260 27.624 -4.659 17 1HG MET 3 1HG MET 3 -16.415 29.045 -6.199 18 2HG MET 3 2HG MET 3 -15.215 29.524 -5.001 19 1HE MET 3 1HE MET 3 -15.668 33.070 -4.853 20 2HE MET 3 2HE MET 3 -15.049 32.036 -6.139 21 3HE MET 3 3HE MET 3 -14.764 31.603 -4.455 22 H THR 4 H THR 4 -13.429 28.739 -2.815 23 HA THR 4 HA THR 4 -12.587 26.600 -4.730 24 HB THR 4 HB THR 4 -10.510 27.879 -4.953 25 HG1 THR 4 HG1 THR 4 -10.037 29.078 -3.309 26 1HG2 THR 4 1HG2 THR 4 -12.760 29.867 -5.160 27 2HG2 THR 4 2HG2 THR 4 -12.688 28.461 -6.220 28 3HG2 THR 4 3HG2 THR 4 -11.383 29.646 -6.240 29 H ASP 5 H ASP 5 -13.287 26.099 -1.883 30 HA ASP 5 HA ASP 5 -10.788 25.673 -0.457 31 1HB ASP 5 1HB ASP 5 -13.082 23.951 0.256 32 2HB ASP 5 2HB ASP 5 -13.433 25.680 0.283 33 H GLN 6 H GLN 6 -12.834 23.775 -2.625 34 HA GLN 6 HA GLN 6 -11.620 21.214 -2.223 35 1HB GLN 6 1HB GLN 6 -12.516 20.751 -4.549 36 2HB GLN 6 2HB GLN 6 -13.005 22.447 -4.616 37 1HG GLN 6 1HG GLN 6 -14.387 22.101 -2.576 38 2HG GLN 6 2HG GLN 6 -13.920 20.400 -2.562 39 1HE2 GLN 6 1HE2 GLN 6 -15.900 22.815 -4.234 40 2HE2 GLN 6 2HE2 GLN 6 -16.745 21.710 -5.205 41 H GLN 7 H GLN 7 -11.075 23.563 -4.893 42 HA GLN 7 HA GLN 7 -8.728 22.175 -5.842 43 1HB GLN 7 1HB GLN 7 -9.933 23.601 -7.380 44 2HB GLN 7 2HB GLN 7 -8.312 24.255 -7.173 45 1HG GLN 7 1HG GLN 7 -10.359 25.292 -5.291 46 2HG GLN 7 2HG GLN 7 -10.565 25.756 -6.979 47 1HE2 GLN 7 1HE2 GLN 7 -9.141 26.791 -4.176 48 2HE2 GLN 7 2HE2 GLN 7 -7.858 27.702 -4.823 49 H ALA 8 H ALA 8 -9.253 24.757 -3.473 50 HA ALA 8 HA ALA 8 -6.463 25.514 -3.255 51 1HB ALA 8 1HB ALA 8 -8.105 27.021 -2.361 52 2HB ALA 8 2HB ALA 8 -7.166 26.417 -0.998 53 3HB ALA 8 3HB ALA 8 -8.774 25.767 -1.317 54 H GLU 9 H GLU 9 -8.143 22.681 -2.230 55 HA GLU 9 HA GLU 9 -6.125 22.072 -0.132 56 1HB GLU 9 1HB GLU 9 -7.619 19.956 0.085 57 2HB GLU 9 2HB GLU 9 -8.762 20.834 -0.929 58 1HG GLU 9 1HG GLU 9 -8.675 22.727 0.713 59 2HG GLU 9 2HG GLU 9 -7.650 21.733 1.748 60 H ALA 10 H ALA 10 -7.487 20.660 -3.132 61 HA ALA 10 HA ALA 10 -5.557 18.533 -3.310 62 1HB ALA 10 1HB ALA 10 -6.266 18.437 -5.717 63 2HB ALA 10 2HB ALA 10 -7.225 19.894 -5.447 64 3HB ALA 10 3HB ALA 10 -7.621 18.405 -4.589 65 NH1 ARG 11 NH1 ARG 11 -1.841 28.860 -4.745 66 NH2 ARG 11 NH2 ARG 11 -2.653 28.296 -6.785 67 H ARG 11 H ARG 11 -5.453 21.944 -4.088 68 HA ARG 11 HA ARG 11 -3.243 21.839 -5.926 69 1HB ARG 11 1HB ARG 11 -4.229 24.070 -4.113 70 2HB ARG 11 2HB ARG 11 -4.726 23.797 -5.786 71 1HG ARG 11 1HG ARG 11 -2.834 24.727 -6.609 72 2HG ARG 11 2HG ARG 11 -1.834 23.892 -5.424 73 1HD ARG 11 1HD ARG 11 -2.182 25.563 -3.782 74 2HD ARG 11 2HD ARG 11 -3.567 26.234 -4.645 75 HE ARG 11 HE ARG 11 -0.816 26.419 -5.798 76 1HH1 ARG 11 1HH1 ARG 11 -2.940 29.242 -6.936 77 2HH1 ARG 11 2HH1 ARG 11 -2.823 27.605 -7.488 78 1HH2 ARG 11 1HH2 ARG 11 -1.390 28.600 -3.890 79 2HH2 ARG 11 2HH2 ARG 11 -2.125 29.808 -4.891 80 H ALA 12 H ALA 12 -3.531 22.347 -2.395 81 HA ALA 12 HA ALA 12 -0.677 22.593 -1.955 82 1HB ALA 12 1HB ALA 12 -2.424 23.428 -0.362 83 2HB ALA 12 2HB ALA 12 -1.226 22.390 0.409 84 3HB ALA 12 3HB ALA 12 -2.823 21.752 0.018 85 H PHE 13 H PHE 13 -2.858 19.887 -2.344 86 HA PHE 13 HA PHE 13 -1.303 17.881 -0.997 87 1HB PHE 13 1HB PHE 13 -3.050 17.364 -3.409 88 2HB PHE 13 2HB PHE 13 -3.742 17.744 -1.833 89 HD1 PHE 13 HD1 PHE 13 -1.799 15.278 -3.774 90 HD2 PHE 13 HD2 PHE 13 -3.559 16.187 0.039 91 HE1 PHE 13 HE1 PHE 13 -1.496 12.920 -3.072 92 HE2 PHE 13 HE2 PHE 13 -3.254 13.829 0.740 93 HZ PHE 13 HZ PHE 13 -2.223 12.195 -0.814 94 H LEU 14 H LEU 14 -1.358 18.949 -4.421 95 HA LEU 14 HA LEU 14 1.217 17.461 -4.784 96 1HB LEU 14 1HB LEU 14 -0.156 16.327 -6.279 97 2HB LEU 14 2HB LEU 14 0.486 17.598 -7.316 98 HG LEU 14 HG LEU 14 -1.688 18.880 -6.326 99 1HD1 LEU 14 1HD1 LEU 14 -2.351 18.823 -8.496 100 2HD1 LEU 14 2HD1 LEU 14 -2.384 17.060 -8.538 101 3HD1 LEU 14 3HD1 LEU 14 -0.861 17.919 -8.762 102 1HD2 LEU 14 1HD2 LEU 14 -2.285 16.748 -5.061 103 2HD2 LEU 14 2HD2 LEU 14 -2.588 16.002 -6.630 104 3HD2 LEU 14 3HD2 LEU 14 -3.554 17.382 -6.108 105 H SER 15 H SER 15 2.940 18.694 -5.307 106 HA SER 15 HA SER 15 2.659 21.577 -5.578 107 1HB SER 15 1HB SER 15 5.137 21.526 -5.884 108 2HB SER 15 2HB SER 15 5.071 19.767 -5.902 109 HG SER 15 HG SER 15 4.733 21.528 -3.789 110 H GLU 16 H GLU 16 4.075 22.606 -7.474 111 HA GLU 16 HA GLU 16 2.687 22.142 -9.920 112 1HB GLU 16 1HB GLU 16 4.458 23.592 -10.941 113 2HB GLU 16 2HB GLU 16 5.339 23.525 -9.413 114 1HG GLU 16 1HG GLU 16 3.617 24.689 -8.253 115 2HG GLU 16 2HG GLU 16 2.455 24.429 -9.554 116 H GLU 17 H GLU 17 5.626 20.680 -8.642 117 HA GLU 17 HA GLU 17 6.589 19.600 -11.143 118 1HB GLU 17 1HB GLU 17 7.031 18.250 -8.483 119 2HB GLU 17 2HB GLU 17 7.810 19.793 -8.833 120 1HG GLU 17 1HG GLU 17 8.895 18.861 -10.795 121 2HG GLU 17 2HG GLU 17 7.998 17.352 -10.625 122 H MET 18 H MET 18 4.536 18.319 -8.530 123 HA MET 18 HA MET 18 4.055 15.750 -9.742 124 1HB MET 18 1HB MET 18 1.790 16.397 -8.234 125 2HB MET 18 2HB MET 18 3.096 17.267 -7.442 126 1HG MET 18 1HG MET 18 2.754 14.926 -6.569 127 2HG MET 18 2HG MET 18 4.382 15.239 -7.167 128 1HE MET 18 1HE MET 18 3.862 11.882 -7.305 129 2HE MET 18 2HE MET 18 5.010 13.213 -7.177 130 3HE MET 18 3HE MET 18 4.998 12.206 -8.622 131 H ILE 19 H ILE 19 2.170 18.754 -9.607 132 HA ILE 19 HA ILE 19 -0.049 18.030 -11.170 133 HB ILE 19 HB ILE 19 1.405 20.691 -11.037 134 1HG1 ILE 19 1HG1 ILE 19 0.317 19.556 -8.950 135 2HG1 ILE 19 2HG1 ILE 19 -1.212 19.968 -9.726 136 1HG2 ILE 19 1HG2 ILE 19 -1.242 19.904 -12.270 137 2HG2 ILE 19 2HG2 ILE 19 0.078 20.812 -13.009 138 3HG2 ILE 19 3HG2 ILE 19 -0.911 21.557 -11.752 139 1HD1 ILE 19 1HD1 ILE 19 0.947 21.807 -8.711 140 2HD1 ILE 19 2HD1 ILE 19 -0.785 21.846 -8.377 141 3HD1 ILE 19 3HD1 ILE 19 -0.179 22.352 -9.955 142 H ALA 20 H ALA 20 3.198 18.995 -12.262 143 HA ALA 20 HA ALA 20 2.617 19.286 -15.038 144 1HB ALA 20 1HB ALA 20 5.195 18.176 -13.903 145 2HB ALA 20 2HB ALA 20 4.786 19.892 -13.857 146 3HB ALA 20 3HB ALA 20 4.976 19.070 -15.406 147 H GLU 21 H GLU 21 3.636 16.406 -13.173 148 HA GLU 21 HA GLU 21 3.646 14.603 -15.413 149 1HB GLU 21 1HB GLU 21 3.492 12.816 -13.665 150 2HB GLU 21 2HB GLU 21 3.226 14.068 -12.451 151 1HG GLU 21 1HG GLU 21 5.408 15.045 -12.915 152 2HG GLU 21 2HG GLU 21 5.660 13.932 -14.262 153 H PHE 22 H PHE 22 1.119 15.577 -13.099 154 HA PHE 22 HA PHE 22 -0.878 13.728 -14.064 155 1HB PHE 22 1HB PHE 22 -2.487 15.115 -12.858 156 2HB PHE 22 2HB PHE 22 -1.316 16.424 -12.738 157 HD1 PHE 22 HD1 PHE 22 -0.650 12.770 -12.296 158 HD2 PHE 22 HD2 PHE 22 -1.032 16.599 -10.381 159 HE1 PHE 22 HE1 PHE 22 0.207 11.801 -10.184 160 HE2 PHE 22 HE2 PHE 22 -0.173 15.624 -8.273 161 HZ PHE 22 HZ PHE 22 0.446 13.228 -8.171 162 H LYS 23 H LYS 23 0.247 16.892 -15.126 163 HA LYS 23 HA LYS 23 -1.970 17.599 -16.794 164 1HB LYS 23 1HB LYS 23 0.905 18.280 -17.428 165 2HB LYS 23 2HB LYS 23 0.057 19.039 -16.082 166 1HG LYS 23 1HG LYS 23 -1.537 20.054 -17.514 167 2HG LYS 23 2HG LYS 23 -1.129 18.991 -18.861 168 1HD LYS 23 1HD LYS 23 0.891 20.902 -17.675 169 2HD LYS 23 2HD LYS 23 -0.218 21.402 -18.952 170 1HE LYS 23 1HE LYS 23 0.650 19.187 -20.122 171 2HE LYS 23 2HE LYS 23 2.033 19.421 -19.054 172 1HZ LYS 23 1HZ LYS 23 0.962 21.385 -21.007 173 2HZ LYS 23 2HZ LYS 23 2.423 20.528 -21.132 174 3HZ LYS 23 3HZ LYS 23 2.223 21.699 -19.917 175 H ALA 24 H ALA 24 0.757 15.400 -17.291 176 HA ALA 24 HA ALA 24 0.609 15.165 -20.127 177 1HB ALA 24 1HB ALA 24 1.315 12.983 -18.143 178 2HB ALA 24 2HB ALA 24 2.441 14.214 -18.717 179 3HB ALA 24 3HB ALA 24 1.770 13.038 -19.846 180 H ALA 25 H ALA 25 -1.011 13.239 -17.587 181 HA ALA 25 HA ALA 25 -2.551 11.657 -19.460 182 1HB ALA 25 1HB ALA 25 -3.942 11.140 -17.381 183 2HB ALA 25 2HB ALA 25 -2.842 12.197 -16.496 184 3HB ALA 25 3HB ALA 25 -2.228 10.738 -17.273 185 H PHE 26 H PHE 26 -3.074 14.739 -17.835 186 HA PHE 26 HA PHE 26 -5.897 14.946 -18.420 187 1HB PHE 26 1HB PHE 26 -3.836 17.114 -17.896 188 2HB PHE 26 2HB PHE 26 -4.800 16.300 -16.667 189 HD1 PHE 26 HD1 PHE 26 -7.280 16.581 -16.638 190 HD2 PHE 26 HD2 PHE 26 -4.752 18.870 -19.250 191 HE1 PHE 26 HE1 PHE 26 -9.122 18.205 -16.993 192 HE2 PHE 26 HE2 PHE 26 -6.596 20.494 -19.608 193 HZ PHE 26 HZ PHE 26 -8.778 20.159 -18.478 194 H ASP 27 H ASP 27 -2.944 16.051 -20.057 195 HA ASP 27 HA ASP 27 -4.154 17.588 -22.115 196 1HB ASP 27 1HB ASP 27 -1.536 16.116 -21.886 197 2HB ASP 27 2HB ASP 27 -1.829 17.850 -21.811 198 H MET 28 H MET 28 -3.279 14.090 -22.107 199 HA MET 28 HA MET 28 -4.026 13.599 -24.816 200 1HB MET 28 1HB MET 28 -2.807 11.875 -23.718 201 2HB MET 28 2HB MET 28 -4.400 11.208 -24.043 202 1HG MET 28 1HG MET 28 -5.080 11.693 -21.724 203 2HG MET 28 2HG MET 28 -3.483 12.363 -21.399 204 1HE MET 28 1HE MET 28 -1.507 11.385 -22.010 205 2HE MET 28 2HE MET 28 -1.111 9.683 -22.225 206 3HE MET 28 3HE MET 28 -1.270 10.343 -20.599 207 H PHE 29 H PHE 29 -5.977 13.394 -21.834 208 HA PHE 29 HA PHE 29 -8.411 12.584 -23.129 209 1HB PHE 29 1HB PHE 29 -9.334 13.967 -20.994 210 2HB PHE 29 2HB PHE 29 -7.662 13.733 -20.487 211 HD1 PHE 29 HD1 PHE 29 -10.845 12.068 -21.300 212 HD2 PHE 29 HD2 PHE 29 -6.759 11.485 -20.102 213 HE1 PHE 29 HE1 PHE 29 -11.362 9.726 -20.671 214 HE2 PHE 29 HE2 PHE 29 -7.278 9.144 -19.475 215 HZ PHE 29 HZ PHE 29 -9.579 8.263 -19.759 216 H ASP 30 H ASP 30 -6.793 15.632 -22.759 217 HA ASP 30 HA ASP 30 -9.081 17.267 -23.610 218 1HB ASP 30 1HB ASP 30 -6.272 18.283 -23.602 219 2HB ASP 30 2HB ASP 30 -6.996 17.856 -22.053 220 H ALA 31 H ALA 31 -8.491 15.274 -25.529 221 HA ALA 31 HA ALA 31 -6.713 16.023 -27.603 222 1HB ALA 31 1HB ALA 31 -9.301 14.456 -27.640 223 2HB ALA 31 2HB ALA 31 -7.653 13.833 -27.701 224 3HB ALA 31 3HB ALA 31 -8.322 14.691 -29.088 225 H ASP 32 H ASP 32 -10.279 16.373 -27.888 226 HA ASP 32 HA ASP 32 -9.783 18.843 -29.495 227 1HB ASP 32 1HB ASP 32 -12.216 18.463 -30.203 228 2HB ASP 32 2HB ASP 32 -12.101 16.898 -29.401 229 H GLY 33 H GLY 33 -9.621 19.000 -26.638 230 1HA GLY 33 1HA GLY 33 -10.968 19.767 -24.740 231 2HA GLY 33 2HA GLY 33 -12.182 20.337 -25.886 232 H GLY 34 H GLY 34 -10.219 21.592 -23.735 233 1HA GLY 34 1HA GLY 34 -10.092 24.193 -24.889 234 2HA GLY 34 2HA GLY 34 -8.512 23.433 -25.074 235 H GLY 35 H GLY 35 -7.764 22.316 -22.908 236 1HA GLY 35 1HA GLY 35 -7.896 24.391 -20.817 237 2HA GLY 35 2HA GLY 35 -6.813 23.001 -20.828 238 H ASP 36 H ASP 36 -10.106 22.214 -21.484 239 HA ASP 36 HA ASP 36 -10.337 21.016 -18.775 240 1HB ASP 36 1HB ASP 36 -11.828 22.634 -18.209 241 2HB ASP 36 2HB ASP 36 -12.937 21.759 -19.257 242 H ILE 37 H ILE 37 -11.987 19.294 -18.708 243 HA ILE 37 HA ILE 37 -12.188 17.940 -21.365 244 HB ILE 37 HB ILE 37 -12.789 16.665 -18.692 245 1HG1 ILE 37 1HG1 ILE 37 -10.422 15.891 -18.653 246 2HG1 ILE 37 2HG1 ILE 37 -10.541 17.641 -18.495 247 1HG2 ILE 37 1HG2 ILE 37 -12.034 15.710 -21.457 248 2HG2 ILE 37 2HG2 ILE 37 -13.454 15.287 -20.501 249 3HG2 ILE 37 3HG2 ILE 37 -11.867 14.669 -20.045 250 1HD1 ILE 37 1HD1 ILE 37 -10.341 16.685 -21.282 251 2HD1 ILE 37 2HD1 ILE 37 -8.918 16.354 -20.295 252 3HD1 ILE 37 3HD1 ILE 37 -9.495 18.011 -20.483 253 H SER 38 H SER 38 -14.271 16.815 -21.849 254 HA SER 38 HA SER 38 -16.610 18.082 -20.485 255 1HB SER 38 1HB SER 38 -17.706 18.213 -22.747 256 2HB SER 38 2HB SER 38 -16.162 17.759 -23.467 257 HG SER 38 HG SER 38 -16.089 19.919 -23.455 258 H THR 39 H THR 39 -18.701 16.843 -21.572 259 HA THR 39 HA THR 39 -18.532 14.134 -20.585 260 HB THR 39 HB THR 39 -20.867 13.954 -21.593 261 HG1 THR 39 HG1 THR 39 -21.397 15.434 -22.960 262 1HG2 THR 39 1HG2 THR 39 -21.842 15.514 -19.959 263 2HG2 THR 39 2HG2 THR 39 -20.285 16.325 -19.798 264 3HG2 THR 39 3HG2 THR 39 -20.469 14.656 -19.263 265 H LYS 40 H LYS 40 -19.202 15.339 -23.909 266 HA LYS 40 HA LYS 40 -18.923 12.783 -25.157 267 1HB LYS 40 1HB LYS 40 -20.008 14.564 -26.384 268 2HB LYS 40 2HB LYS 40 -18.555 14.111 -27.268 269 1HG LYS 40 1HG LYS 40 -17.466 16.087 -26.782 270 2HG LYS 40 2HG LYS 40 -18.315 16.307 -25.254 271 1HD LYS 40 1HD LYS 40 -20.098 17.360 -26.245 272 2HD LYS 40 2HD LYS 40 -19.987 16.390 -27.714 273 1HE LYS 40 1HE LYS 40 -17.759 18.298 -27.128 274 2HE LYS 40 2HE LYS 40 -19.289 18.970 -27.689 275 1HZ LYS 40 1HZ LYS 40 -17.830 18.468 -29.540 276 2HZ LYS 40 2HZ LYS 40 -19.206 17.474 -29.590 277 3HZ LYS 40 3HZ LYS 40 -17.720 16.848 -29.055 278 H GLU 41 H GLU 41 -16.559 15.391 -24.617 279 HA GLU 41 HA GLU 41 -14.347 14.317 -25.998 280 1HB GLU 41 1HB GLU 41 -13.115 15.457 -23.877 281 2HB GLU 41 2HB GLU 41 -14.720 16.165 -23.697 282 1HG GLU 41 1HG GLU 41 -13.595 17.685 -25.112 283 2HG GLU 41 2HG GLU 41 -14.541 16.700 -26.229 284 H LEU 42 H LEU 42 -15.547 13.567 -22.730 285 HA LEU 42 HA LEU 42 -13.380 11.883 -21.918 286 1HB LEU 42 1HB LEU 42 -16.050 11.098 -20.960 287 2HB LEU 42 2HB LEU 42 -15.707 12.812 -20.773 288 HG LEU 42 HG LEU 42 -13.939 10.549 -19.789 289 1HD1 LEU 42 1HD1 LEU 42 -12.762 12.430 -18.599 290 2HD1 LEU 42 2HD1 LEU 42 -13.731 13.564 -19.540 291 3HD1 LEU 42 3HD1 LEU 42 -12.596 12.487 -20.352 292 1HD2 LEU 42 1HD2 LEU 42 -14.954 10.731 -17.756 293 2HD2 LEU 42 2HD2 LEU 42 -16.293 11.407 -18.684 294 3HD2 LEU 42 3HD2 LEU 42 -15.136 12.479 -17.896 295 H GLY 43 H GLY 43 -16.589 10.999 -23.278 296 1HA GLY 43 1HA GLY 43 -17.271 9.093 -24.462 297 2HA GLY 43 2HA GLY 43 -16.055 8.209 -23.542 298 H THR 44 H THR 44 -15.214 10.945 -25.598 299 HA THR 44 HA THR 44 -14.564 9.422 -27.965 300 HB THR 44 HB THR 44 -13.413 12.081 -27.051 301 HG1 THR 44 HG1 THR 44 -15.331 12.780 -27.458 302 1HG2 THR 44 1HG2 THR 44 -13.052 12.419 -29.491 303 2HG2 THR 44 2HG2 THR 44 -13.594 10.765 -29.777 304 3HG2 THR 44 3HG2 THR 44 -12.118 11.065 -28.857 305 H VAL 45 H VAL 45 -12.655 10.483 -25.147 306 HA VAL 45 HA VAL 45 -10.145 9.436 -26.132 307 HB VAL 45 HB VAL 45 -10.984 9.981 -23.262 308 1HG1 VAL 45 1HG1 VAL 45 -8.945 8.643 -23.400 309 2HG1 VAL 45 2HG1 VAL 45 -8.523 10.293 -22.942 310 3HG1 VAL 45 3HG1 VAL 45 -8.268 9.746 -24.599 311 1HG2 VAL 45 1HG2 VAL 45 -9.301 11.887 -24.817 312 2HG2 VAL 45 2HG2 VAL 45 -10.519 12.211 -23.584 313 3HG2 VAL 45 3HG2 VAL 45 -11.014 11.832 -25.233 314 H MET 46 H MET 46 -12.803 8.057 -24.215 315 HA MET 46 HA MET 46 -11.414 5.673 -23.388 316 1HB MET 46 1HB MET 46 -13.609 4.759 -22.904 317 2HB MET 46 2HB MET 46 -14.383 5.952 -23.946 318 1HG MET 46 1HG MET 46 -14.180 7.628 -22.400 319 2HG MET 46 2HG MET 46 -12.656 7.012 -21.766 320 1HE MET 46 1HE MET 46 -13.225 4.868 -19.037 321 2HE MET 46 2HE MET 46 -12.237 5.366 -20.408 322 3HE MET 46 3HE MET 46 -13.259 3.937 -20.541 323 NH1 ARG 47 NH1 ARG 47 -18.718 4.417 -30.337 324 NH2 ARG 47 NH2 ARG 47 -18.638 6.524 -31.170 325 H ARG 47 H ARG 47 -13.476 6.407 -26.206 326 HA ARG 47 HA ARG 47 -13.303 3.797 -27.392 327 1HB ARG 47 1HB ARG 47 -13.742 5.378 -29.538 328 2HB ARG 47 2HB ARG 47 -14.193 6.496 -28.247 329 1HG ARG 47 1HG ARG 47 -15.466 4.355 -27.324 330 2HG ARG 47 2HG ARG 47 -15.421 3.879 -29.019 331 1HD ARG 47 1HD ARG 47 -16.298 6.662 -28.317 332 2HD ARG 47 2HD ARG 47 -17.432 5.330 -28.098 333 HE ARG 47 HE ARG 47 -16.100 5.753 -30.740 334 1HH1 ARG 47 1HH1 ARG 47 -19.656 4.320 -30.669 335 2HH1 ARG 47 2HH1 ARG 47 -18.278 3.660 -29.855 336 1HH2 ARG 47 1HH2 ARG 47 -18.138 7.377 -31.324 337 2HH2 ARG 47 2HH2 ARG 47 -19.578 6.430 -31.501 338 H MET 48 H MET 48 -11.034 6.454 -27.303 339 HA MET 48 HA MET 48 -9.555 5.875 -29.686 340 1HB MET 48 1HB MET 48 -7.617 6.929 -28.379 341 2HB MET 48 2HB MET 48 -8.745 7.103 -27.036 342 1HG MET 48 1HG MET 48 -9.883 8.797 -28.053 343 2HG MET 48 2HG MET 48 -9.762 8.051 -29.646 344 1HE MET 48 1HE MET 48 -7.852 9.001 -31.528 345 2HE MET 48 2HE MET 48 -8.015 10.720 -31.182 346 3HE MET 48 3HE MET 48 -9.404 9.653 -30.988 347 H LEU 49 H LEU 49 -9.509 4.485 -26.434 348 HA LEU 49 HA LEU 49 -7.197 2.774 -26.968 349 1HB LEU 49 1HB LEU 49 -9.251 2.523 -24.751 350 2HB LEU 49 2HB LEU 49 -7.863 3.609 -24.671 351 HG LEU 49 HG LEU 49 -7.171 0.854 -25.455 352 1HD1 LEU 49 1HD1 LEU 49 -5.603 2.743 -24.819 353 2HD1 LEU 49 2HD1 LEU 49 -5.340 1.237 -23.943 354 3HD1 LEU 49 3HD1 LEU 49 -6.187 2.573 -23.163 355 1HD2 LEU 49 1HD2 LEU 49 -8.920 0.227 -23.917 356 2HD2 LEU 49 2HD2 LEU 49 -8.412 1.451 -22.754 357 3HD2 LEU 49 3HD2 LEU 49 -7.390 0.047 -23.060 358 H GLY 50 H GLY 50 -10.727 2.510 -27.186 359 1HA GLY 50 1HA GLY 50 -10.390 -0.344 -28.037 360 2HA GLY 50 2HA GLY 50 -11.353 0.782 -28.987 361 H GLN 51 H GLN 51 -11.853 1.623 -25.786 362 HA GLN 51 HA GLN 51 -13.894 -0.430 -25.217 363 1HB GLN 51 1HB GLN 51 -13.541 2.073 -23.594 364 2HB GLN 51 2HB GLN 51 -12.306 0.817 -23.514 365 1HG GLN 51 1HG GLN 51 -13.722 -0.694 -22.488 366 2HG GLN 51 2HG GLN 51 -15.164 -0.025 -23.253 367 1HE2 GLN 51 1HE2 GLN 51 -16.063 1.997 -22.303 368 2HE2 GLN 51 2HE2 GLN 51 -15.684 2.430 -20.706 369 H ASN 52 H ASN 52 -16.150 0.060 -25.077 370 HA ASN 52 HA ASN 52 -16.949 2.609 -26.435 371 1HB ASN 52 1HB ASN 52 -19.027 1.103 -27.068 372 2HB ASN 52 2HB ASN 52 -17.893 -0.220 -26.792 373 1HD2 ASN 52 1HD2 ASN 52 -19.125 1.141 -29.350 374 2HD2 ASN 52 2HD2 ASN 52 -17.770 1.361 -30.347 375 HA PRO 53 HA PRO 53 -18.953 2.556 -22.290 376 1HB PRO 53 1HB PRO 53 -17.241 3.768 -21.332 377 2HB PRO 53 2HB PRO 53 -18.285 5.153 -21.689 378 1HG PRO 53 1HG PRO 53 -15.712 4.847 -22.679 379 2HG PRO 53 2HG PRO 53 -16.957 5.831 -23.463 380 1HD PRO 53 1HD PRO 53 -15.807 3.262 -24.324 381 2HD PRO 53 2HD PRO 53 -16.817 4.393 -25.249 382 H THR 54 H THR 54 -20.698 4.150 -21.496 383 HA THR 54 HA THR 54 -22.347 4.982 -23.801 384 HB THR 54 HB THR 54 -23.387 5.560 -21.109 385 HG1 THR 54 HG1 THR 54 -22.918 2.864 -21.854 386 1HG2 THR 54 1HG2 THR 54 -24.735 5.557 -23.179 387 2HG2 THR 54 2HG2 THR 54 -25.337 4.380 -22.012 388 3HG2 THR 54 3HG2 THR 54 -24.384 3.843 -23.396 389 H LYS 55 H LYS 55 -22.802 7.110 -24.310 390 HA LYS 55 HA LYS 55 -21.042 9.177 -23.323 391 1HB LYS 55 1HB LYS 55 -22.558 10.700 -24.666 392 2HB LYS 55 2HB LYS 55 -23.549 9.286 -25.026 393 1HG LYS 55 1HG LYS 55 -22.094 9.378 -26.871 394 2HG LYS 55 2HG LYS 55 -21.296 8.216 -25.812 395 1HD LYS 55 1HD LYS 55 -19.926 10.119 -24.885 396 2HD LYS 55 2HD LYS 55 -20.634 11.160 -26.121 397 1HE LYS 55 1HE LYS 55 -19.762 9.618 -27.873 398 2HE LYS 55 2HE LYS 55 -19.003 8.647 -26.612 399 1HZ LYS 55 1HZ LYS 55 -17.786 10.679 -25.925 400 2HZ LYS 55 2HZ LYS 55 -18.414 11.477 -27.288 401 3HZ LYS 55 3HZ LYS 55 -17.385 10.139 -27.484 402 H GLU 56 H GLU 56 -24.517 8.485 -22.818 403 HA GLU 56 HA GLU 56 -24.965 10.700 -21.028 404 1HB GLU 56 1HB GLU 56 -26.822 9.551 -22.173 405 2HB GLU 56 2HB GLU 56 -27.052 9.519 -20.427 406 1HG GLU 56 1HG GLU 56 -26.991 7.261 -20.381 407 2HG GLU 56 2HG GLU 56 -25.514 7.216 -21.343 408 H GLU 57 H GLU 57 -23.651 7.476 -20.574 409 HA GLU 57 HA GLU 57 -23.965 7.378 -17.693 410 1HB GLU 57 1HB GLU 57 -21.905 5.953 -19.410 411 2HB GLU 57 2HB GLU 57 -23.549 5.370 -19.157 412 1HG GLU 57 1HG GLU 57 -23.176 5.069 -16.810 413 2HG GLU 57 2HG GLU 57 -21.655 5.961 -16.870 414 H LEU 58 H LEU 58 -21.388 8.398 -19.910 415 HA LEU 58 HA LEU 58 -19.466 9.063 -17.872 416 1HB LEU 58 1HB LEU 58 -18.752 10.652 -19.949 417 2HB LEU 58 2HB LEU 58 -19.789 9.501 -20.793 418 HG LEU 58 HG LEU 58 -18.477 7.642 -19.713 419 1HD1 LEU 58 1HD1 LEU 58 -17.947 8.982 -21.995 420 2HD1 LEU 58 2HD1 LEU 58 -16.965 7.628 -21.440 421 3HD1 LEU 58 3HD1 LEU 58 -16.438 9.281 -21.132 422 1HD2 LEU 58 1HD2 LEU 58 -16.133 9.237 -19.146 423 2HD2 LEU 58 2HD2 LEU 58 -16.980 8.100 -18.099 424 3HD2 LEU 58 3HD2 LEU 58 -17.491 9.786 -18.165 425 H ASP 59 H ASP 59 -22.112 10.795 -19.385 426 HA ASP 59 HA ASP 59 -21.484 13.437 -18.491 427 1HB ASP 59 1HB ASP 59 -24.116 12.072 -19.132 428 2HB ASP 59 2HB ASP 59 -23.192 13.154 -20.165 429 H ALA 60 H ALA 60 -23.185 10.719 -16.982 430 HA ALA 60 HA ALA 60 -23.999 12.195 -14.621 431 1HB ALA 60 1HB ALA 60 -25.069 10.044 -15.377 432 2HB ALA 60 2HB ALA 60 -24.571 10.025 -13.686 433 3HB ALA 60 3HB ALA 60 -23.596 9.199 -14.902 434 H ILE 61 H ILE 61 -21.182 10.264 -15.531 435 HA ILE 61 HA ILE 61 -19.918 10.082 -12.984 436 HB ILE 61 HB ILE 61 -18.926 10.081 -15.837 437 1HG1 ILE 61 1HG1 ILE 61 -20.122 8.130 -14.549 438 2HG1 ILE 61 2HG1 ILE 61 -18.560 7.933 -13.755 439 1HG2 ILE 61 1HG2 ILE 61 -16.677 9.384 -14.828 440 2HG2 ILE 61 2HG2 ILE 61 -17.269 10.026 -13.295 441 3HG2 ILE 61 3HG2 ILE 61 -17.077 11.097 -14.683 442 1HD1 ILE 61 1HD1 ILE 61 -18.316 6.524 -15.599 443 2HD1 ILE 61 2HD1 ILE 61 -17.632 8.024 -16.225 444 3HD1 ILE 61 3HD1 ILE 61 -19.281 7.562 -16.647 445 H ILE 62 H ILE 62 -20.050 12.712 -15.357 446 HA ILE 62 HA ILE 62 -18.084 14.345 -13.904 447 HB ILE 62 HB ILE 62 -19.955 15.109 -16.175 448 1HG1 ILE 62 1HG1 ILE 62 -18.404 13.280 -16.794 449 2HG1 ILE 62 2HG1 ILE 62 -17.045 14.239 -16.217 450 1HG2 ILE 62 1HG2 ILE 62 -18.263 16.942 -16.500 451 2HG2 ILE 62 2HG2 ILE 62 -17.505 16.452 -14.985 452 3HG2 ILE 62 3HG2 ILE 62 -19.156 17.072 -14.987 453 1HD1 ILE 62 1HD1 ILE 62 -17.160 15.717 -18.003 454 2HD1 ILE 62 2HD1 ILE 62 -18.889 15.465 -18.233 455 3HD1 ILE 62 3HD1 ILE 62 -17.740 14.249 -18.790 456 H GLU 63 H GLU 63 -21.593 14.085 -14.259 457 HA GLU 63 HA GLU 63 -22.498 16.455 -13.087 458 1HB GLU 63 1HB GLU 63 -24.025 14.256 -12.030 459 2HB GLU 63 2HB GLU 63 -23.578 13.899 -13.698 460 1HG GLU 63 1HG GLU 63 -24.433 16.676 -13.304 461 2HG GLU 63 2HG GLU 63 -25.684 15.500 -12.906 462 H GLU 64 H GLU 64 -21.391 13.501 -11.437 463 HA GLU 64 HA GLU 64 -21.892 14.531 -8.766 464 1HB GLU 64 1HB GLU 64 -19.787 12.532 -8.852 465 2HB GLU 64 2HB GLU 64 -21.135 12.056 -9.882 466 1HG GLU 64 1HG GLU 64 -21.652 11.208 -7.707 467 2HG GLU 64 2HG GLU 64 -22.659 12.642 -7.907 468 H VAL 65 H VAL 65 -19.182 14.651 -10.999 469 HA VAL 65 HA VAL 65 -17.216 15.525 -9.070 470 HB VAL 65 HB VAL 65 -17.261 15.827 -12.089 471 1HG1 VAL 65 1HG1 VAL 65 -14.805 16.091 -11.838 472 2HG1 VAL 65 2HG1 VAL 65 -14.995 16.075 -10.083 473 3HG1 VAL 65 3HG1 VAL 65 -15.687 17.390 -11.033 474 1HG2 VAL 65 1HG2 VAL 65 -16.046 13.788 -12.181 475 2HG2 VAL 65 2HG2 VAL 65 -17.343 13.470 -11.029 476 3HG2 VAL 65 3HG2 VAL 65 -15.712 13.811 -10.450 477 H ASP 66 H ASP 66 -19.245 17.336 -11.434 478 HA ASP 66 HA ASP 66 -18.118 19.883 -10.662 479 1HB ASP 66 1HB ASP 66 -19.011 19.926 -12.823 480 2HB ASP 66 2HB ASP 66 -20.192 20.818 -11.878 481 H GLU 67 H GLU 67 -18.402 19.390 -8.311 482 HA GLU 67 HA GLU 67 -20.965 19.479 -7.017 483 1HB GLU 67 1HB GLU 67 -19.142 20.599 -5.225 484 2HB GLU 67 2HB GLU 67 -18.153 19.542 -6.232 485 1HG GLU 67 1HG GLU 67 -19.328 17.627 -5.602 486 2HG GLU 67 2HG GLU 67 -20.775 18.537 -5.165 487 H ASP 68 H ASP 68 -18.619 22.035 -7.873 488 HA ASP 68 HA ASP 68 -20.019 24.188 -6.598 489 1HB ASP 68 1HB ASP 68 -18.718 25.649 -8.173 490 2HB ASP 68 2HB ASP 68 -18.145 24.193 -8.987 491 H GLY 69 H GLY 69 -20.390 22.633 -9.762 492 1HA GLY 69 1HA GLY 69 -22.798 24.364 -10.207 493 2HA GLY 69 2HA GLY 69 -22.695 22.679 -10.714 494 H SER 70 H SER 70 -20.114 22.710 -11.875 495 HA SER 70 HA SER 70 -20.112 24.853 -13.908 496 1HB SER 70 1HB SER 70 -18.218 22.504 -13.846 497 2HB SER 70 2HB SER 70 -18.020 23.845 -12.722 498 HG SER 70 HG SER 70 -16.912 23.958 -14.857 499 H GLY 71 H GLY 71 -19.884 21.266 -14.061 500 1HA GLY 71 1HA GLY 71 -21.499 21.389 -16.579 501 2HA GLY 71 2HA GLY 71 -21.719 20.117 -15.379 502 H THR 72 H THR 72 -18.729 21.547 -16.725 503 HA THR 72 HA THR 72 -18.044 18.896 -17.916 504 HB THR 72 HB THR 72 -16.230 20.281 -19.079 505 HG1 THR 72 HG1 THR 72 -16.131 22.325 -18.650 506 1HG2 THR 72 1HG2 THR 72 -18.000 19.738 -20.485 507 2HG2 THR 72 2HG2 THR 72 -18.069 21.500 -20.514 508 3HG2 THR 72 3HG2 THR 72 -19.182 20.592 -19.490 509 H ILE 73 H ILE 73 -15.390 18.732 -17.901 510 HA ILE 73 HA ILE 73 -14.700 18.875 -15.004 511 HB ILE 73 HB ILE 73 -12.988 17.424 -16.990 512 1HG1 ILE 73 1HG1 ILE 73 -15.362 16.762 -17.487 513 2HG1 ILE 73 2HG1 ILE 73 -15.544 16.284 -15.802 514 1HG2 ILE 73 1HG2 ILE 73 -13.855 16.820 -14.146 515 2HG2 ILE 73 2HG2 ILE 73 -12.369 17.661 -14.587 516 3HG2 ILE 73 3HG2 ILE 73 -12.601 15.978 -15.057 517 1HD1 ILE 73 1HD1 ILE 73 -14.151 14.442 -16.037 518 2HD1 ILE 73 2HD1 ILE 73 -13.236 15.173 -17.356 519 3HD1 ILE 73 3HD1 ILE 73 -14.844 14.514 -17.657 520 H ASP 74 H ASP 74 -12.972 20.042 -14.304 521 HA ASP 74 HA ASP 74 -11.591 21.774 -16.298 522 1HB ASP 74 1HB ASP 74 -11.067 23.213 -14.344 523 2HB ASP 74 2HB ASP 74 -11.886 22.063 -13.294 524 H PHE 75 H PHE 75 -9.253 22.378 -15.462 525 HA PHE 75 HA PHE 75 -7.735 19.909 -15.329 526 1HB PHE 75 1HB PHE 75 -6.772 22.756 -14.888 527 2HB PHE 75 2HB PHE 75 -6.862 21.956 -16.456 528 HD1 PHE 75 HD1 PHE 75 -4.553 22.922 -14.180 529 HD2 PHE 75 HD2 PHE 75 -5.869 19.303 -16.082 530 HE1 PHE 75 HE1 PHE 75 -2.329 21.901 -13.782 531 HE2 PHE 75 HE2 PHE 75 -3.645 18.284 -15.684 532 HZ PHE 75 HZ PHE 75 -1.874 19.583 -14.534 533 H GLU 76 H GLU 76 -8.322 22.567 -13.008 534 HA GLU 76 HA GLU 76 -6.946 21.256 -10.828 535 1HB GLU 76 1HB GLU 76 -7.295 23.639 -10.655 536 2HB GLU 76 2HB GLU 76 -8.261 22.885 -9.389 537 1HG GLU 76 1HG GLU 76 -10.033 22.908 -11.489 538 2HG GLU 76 2HG GLU 76 -9.127 24.392 -11.777 539 H GLU 77 H GLU 77 -10.087 20.878 -12.257 540 HA GLU 77 HA GLU 77 -11.350 19.585 -9.971 541 1HB GLU 77 1HB GLU 77 -12.139 19.041 -12.825 542 2HB GLU 77 2HB GLU 77 -12.451 20.634 -12.136 543 1HG GLU 77 1HG GLU 77 -13.401 19.104 -10.128 544 2HG GLU 77 2HG GLU 77 -13.675 18.000 -11.475 545 H PHE 78 H PHE 78 -9.475 18.695 -12.792 546 HA PHE 78 HA PHE 78 -9.649 15.843 -12.539 547 1HB PHE 78 1HB PHE 78 -7.685 17.740 -13.844 548 2HB PHE 78 2HB PHE 78 -8.943 16.795 -14.628 549 HD1 PHE 78 HD1 PHE 78 -8.751 14.177 -14.348 550 HD2 PHE 78 HD2 PHE 78 -5.498 16.921 -13.772 551 HE1 PHE 78 HE1 PHE 78 -7.132 12.328 -14.676 552 HE2 PHE 78 HE2 PHE 78 -3.880 15.072 -14.102 553 HZ PHE 78 HZ PHE 78 -4.697 12.776 -14.554 554 H LEU 79 H LEU 79 -7.522 18.332 -11.163 555 HA LEU 79 HA LEU 79 -5.624 16.467 -10.004 556 1HB LEU 79 1HB LEU 79 -4.848 18.409 -8.701 557 2HB LEU 79 2HB LEU 79 -6.277 19.311 -9.202 558 HG LEU 79 HG LEU 79 -5.511 18.854 -11.619 559 1HD1 LEU 79 1HD1 LEU 79 -3.452 20.511 -10.219 560 2HD1 LEU 79 2HD1 LEU 79 -5.146 20.977 -10.055 561 3HD1 LEU 79 3HD1 LEU 79 -4.407 20.885 -11.653 562 1HD2 LEU 79 1HD2 LEU 79 -3.417 17.984 -12.036 563 2HD2 LEU 79 2HD2 LEU 79 -3.756 17.140 -10.525 564 3HD2 LEU 79 3HD2 LEU 79 -2.749 18.587 -10.520 565 H VAL 80 H VAL 80 -8.351 18.340 -8.604 566 HA VAL 80 HA VAL 80 -8.155 17.128 -6.001 567 HB VAL 80 HB VAL 80 -9.372 19.285 -6.555 568 1HG1 VAL 80 1HG1 VAL 80 -10.604 18.434 -8.531 569 2HG1 VAL 80 2HG1 VAL 80 -11.690 19.125 -7.328 570 3HG1 VAL 80 3HG1 VAL 80 -11.539 17.375 -7.476 571 1HG2 VAL 80 1HG2 VAL 80 -11.233 17.379 -5.150 572 2HG2 VAL 80 2HG2 VAL 80 -10.833 19.047 -4.734 573 3HG2 VAL 80 3HG2 VAL 80 -9.659 17.762 -4.451 574 H MET 81 H MET 81 -9.749 16.183 -8.995 575 HA MET 81 HA MET 81 -11.410 14.118 -7.855 576 1HB MET 81 1HB MET 81 -10.432 14.819 -10.616 577 2HB MET 81 2HB MET 81 -12.085 14.752 -10.012 578 1HG MET 81 1HG MET 81 -11.736 12.228 -9.765 579 2HG MET 81 2HG MET 81 -10.261 12.454 -10.704 580 1HE MET 81 1HE MET 81 -10.082 12.360 -13.011 581 2HE MET 81 2HE MET 81 -10.429 14.087 -13.022 582 3HE MET 81 3HE MET 81 -11.207 13.032 -14.199 583 H MET 82 H MET 82 -8.156 14.221 -9.320 584 HA MET 82 HA MET 82 -7.621 11.395 -9.015 585 1HB MET 82 1HB MET 82 -5.497 13.539 -8.950 586 2HB MET 82 2HB MET 82 -6.348 13.152 -10.446 587 1HG MET 82 1HG MET 82 -5.430 11.023 -10.576 588 2HG MET 82 2HG MET 82 -5.191 10.905 -8.833 589 1HE MET 82 1HE MET 82 -3.274 11.935 -12.271 590 2HE MET 82 2HE MET 82 -3.703 10.396 -11.529 591 3HE MET 82 3HE MET 82 -2.034 10.959 -11.471 592 H VAL 83 H VAL 83 -7.395 14.185 -6.904 593 HA VAL 83 HA VAL 83 -5.764 12.985 -4.853 594 HB VAL 83 HB VAL 83 -7.479 15.427 -5.155 595 1HG1 VAL 83 1HG1 VAL 83 -6.952 16.001 -2.742 596 2HG1 VAL 83 2HG1 VAL 83 -6.536 14.304 -2.501 597 3HG1 VAL 83 3HG1 VAL 83 -8.180 14.755 -2.954 598 1HG2 VAL 83 1HG2 VAL 83 -5.419 16.552 -4.643 599 2HG2 VAL 83 2HG2 VAL 83 -5.028 15.257 -5.774 600 3HG2 VAL 83 3HG2 VAL 83 -4.680 15.063 -4.056 601 NH1 ARG 84 NH1 ARG 84 -15.688 11.842 -7.034 602 NH2 ARG 84 NH2 ARG 84 -16.403 12.432 -4.963 603 H ARG 84 H ARG 84 -9.214 12.901 -5.585 604 HA ARG 84 HA ARG 84 -9.731 11.503 -2.998 605 1HB ARG 84 1HB ARG 84 -11.160 13.449 -3.502 606 2HB ARG 84 2HB ARG 84 -12.098 11.959 -3.422 607 1HG ARG 84 1HG ARG 84 -11.782 11.827 -5.975 608 2HG ARG 84 2HG ARG 84 -11.256 13.507 -5.876 609 1HD ARG 84 1HD ARG 84 -13.537 13.787 -6.240 610 2HD ARG 84 2HD ARG 84 -13.481 13.796 -4.477 611 HE ARG 84 HE ARG 84 -13.880 11.154 -4.968 612 1HH1 ARG 84 1HH1 ARG 84 -16.624 11.910 -7.379 613 2HH1 ARG 84 2HH1 ARG 84 -14.945 11.582 -7.652 614 1HH2 ARG 84 1HH2 ARG 84 -16.207 12.624 -4.002 615 2HH2 ARG 84 2HH2 ARG 84 -17.340 12.502 -5.305 616 H GLN 85 H GLN 85 -8.602 10.391 -5.681 617 HA GLN 85 HA GLN 85 -10.382 8.008 -5.706 618 1HB GLN 85 1HB GLN 85 -10.938 9.431 -7.677 619 2HB GLN 85 2HB GLN 85 -10.305 7.852 -8.131 620 1HG GLN 85 1HG GLN 85 -8.291 10.012 -7.802 621 2HG GLN 85 2HG GLN 85 -9.380 10.177 -9.178 622 1HE2 GLN 85 1HE2 GLN 85 -6.424 8.883 -8.337 623 2HE2 GLN 85 2HE2 GLN 85 -6.332 7.636 -9.483 624 H MET 86 H MET 86 -7.300 9.136 -5.211 625 HA MET 86 HA MET 86 -5.959 6.749 -6.360 626 1HB MET 86 1HB MET 86 -4.659 9.020 -4.839 627 2HB MET 86 2HB MET 86 -5.025 9.139 -6.560 628 1HG MET 86 1HG MET 86 -3.001 8.170 -6.885 629 2HG MET 86 2HG MET 86 -3.776 6.673 -6.370 630 1HE MET 86 1HE MET 86 -2.140 9.819 -5.542 631 2HE MET 86 2HE MET 86 -1.062 9.534 -4.177 632 3HE MET 86 3HE MET 86 -2.763 9.895 -3.889 633 H LYS 87 H LYS 87 -7.317 7.896 -3.413 634 HA LYS 87 HA LYS 87 -5.568 6.318 -1.667 635 1HB LYS 87 1HB LYS 87 -7.437 6.986 0.033 636 2HB LYS 87 2HB LYS 87 -7.983 8.055 -1.259 637 1HG LYS 87 1HG LYS 87 -5.091 8.018 -0.411 638 2HG LYS 87 2HG LYS 87 -6.273 8.981 0.472 639 1HD LYS 87 1HD LYS 87 -6.920 9.768 -1.999 640 2HD LYS 87 2HD LYS 87 -5.245 9.318 -2.315 641 1HE LYS 87 1HE LYS 87 -5.023 11.555 -1.671 642 2HE LYS 87 2HE LYS 87 -4.755 10.717 -0.142 643 1HZ LYS 87 1HZ LYS 87 -6.341 12.585 0.013 644 2HZ LYS 87 2HZ LYS 87 -7.014 11.099 0.485 645 3HZ LYS 87 3HZ LYS 87 -7.389 11.761 -1.035 646 H GLU 88 H GLU 88 -9.069 6.179 -1.334 647 HA GLU 88 HA GLU 88 -8.914 3.258 -1.101 648 1HB GLU 88 1HB GLU 88 -11.442 4.906 -1.017 649 2HB GLU 88 2HB GLU 88 -10.340 4.828 0.359 650 1HG GLU 88 1HG GLU 88 -11.013 2.731 0.905 651 2HG GLU 88 2HG GLU 88 -10.941 2.187 -0.771 652 H ASP 89 H ASP 89 -10.186 5.605 -3.431 653 HA ASP 89 HA ASP 89 -11.752 3.786 -4.988 654 1HB ASP 89 1HB ASP 89 -10.246 6.159 -6.089 655 2HB ASP 89 2HB ASP 89 -11.713 6.332 -5.134 656 H ALA 90 H ALA 90 -8.294 4.213 -4.758 657 HA ALA 90 HA ALA 90 -7.440 3.257 -7.286 658 1HB ALA 90 1HB ALA 90 -5.625 3.952 -6.060 659 2HB ALA 90 2HB ALA 90 -5.527 2.232 -5.687 660 3HB ALA 90 3HB ALA 90 -6.282 3.342 -4.543 661 H LYS 91 H LYS 91 -6.928 1.132 -8.030 662 HA LYS 91 HA LYS 91 -8.761 -0.930 -7.176 663 1HB LYS 91 1HB LYS 91 -7.212 -2.351 -8.751 664 2HB LYS 91 2HB LYS 91 -6.506 -0.789 -9.161 665 1HG LYS 91 1HG LYS 91 -8.754 0.058 -9.760 666 2HG LYS 91 2HG LYS 91 -9.447 -1.513 -9.359 667 1HD LYS 91 1HD LYS 91 -7.322 -2.087 -11.105 668 2HD LYS 91 2HD LYS 91 -8.100 -0.663 -11.795 669 1HE LYS 91 1HE LYS 91 -10.170 -2.418 -10.926 670 2HE LYS 91 2HE LYS 91 -9.006 -3.387 -11.827 671 1HZ LYS 91 1HZ LYS 91 -9.136 -1.804 -13.643 672 2HZ LYS 91 2HZ LYS 91 -10.250 -0.861 -12.773 673 3HZ LYS 91 3HZ LYS 91 -10.672 -2.424 -13.284 674 H GLY 92 H GLY 92 -5.259 -1.562 -7.504 675 1HA GLY 92 1HA GLY 92 -4.587 -3.567 -6.040 676 2HA GLY 92 2HA GLY 92 -5.291 -2.646 -4.714 677 H LYS 93 H LYS 93 -3.951 -0.289 -6.569 678 HA LYS 93 HA LYS 93 -1.136 -0.637 -5.936 679 1HB LYS 93 1HB LYS 93 -1.809 0.635 -7.914 680 2HB LYS 93 2HB LYS 93 -0.939 1.680 -6.801 681 1HG LYS 93 1HG LYS 93 -3.288 2.297 -5.873 682 2HG LYS 93 2HG LYS 93 -3.896 1.601 -7.375 683 1HD LYS 93 1HD LYS 93 -3.618 3.871 -7.920 684 2HD LYS 93 2HD LYS 93 -2.131 3.139 -8.523 685 1HE LYS 93 1HE LYS 93 -1.525 3.714 -5.874 686 2HE LYS 93 2HE LYS 93 -2.514 5.089 -6.364 687 1HZ LYS 93 1HZ LYS 93 -0.125 4.073 -7.809 688 2HZ LYS 93 2HZ LYS 93 -0.183 5.471 -6.845 689 3HZ LYS 93 3HZ LYS 93 -1.080 5.392 -8.286 690 H SER 94 H SER 94 -3.903 0.719 -4.301 691 HA SER 94 HA SER 94 -2.560 2.559 -2.570 692 1HB SER 94 1HB SER 94 -4.898 2.782 -2.618 693 2HB SER 94 2HB SER 94 -4.606 2.038 -1.050 694 HG SER 94 HG SER 94 -5.923 1.049 -3.207 695 H GLU 95 H GLU 95 -3.027 -0.950 -2.385 696 HA GLU 95 HA GLU 95 -2.145 -1.204 0.365 697 1HB GLU 95 1HB GLU 95 -1.768 -3.658 -0.413 698 2HB GLU 95 2HB GLU 95 -2.509 -3.132 -1.924 699 1HG GLU 95 1HG GLU 95 -3.857 -2.509 0.695 700 2HG GLU 95 2HG GLU 95 -4.025 -4.114 -0.013 701 H GLU 96 H GLU 96 -0.206 0.293 0.022 702 HA GLU 96 HA GLU 96 2.066 -0.643 -1.513 703 1HB GLU 96 1HB GLU 96 3.289 1.039 0.076 704 2HB GLU 96 2HB GLU 96 1.660 1.467 0.600 705 1HG GLU 96 1HG GLU 96 1.118 2.421 -1.425 706 2HG GLU 96 2HG GLU 96 2.130 1.304 -2.341 707 H GLU 97 H GLU 97 1.159 -0.847 1.933 708 HA GLU 97 HA GLU 97 3.547 -2.063 2.888 709 1HB GLU 97 1HB GLU 97 0.832 -2.775 3.986 710 2HB GLU 97 2HB GLU 97 1.483 -1.149 4.196 711 1HG GLU 97 1HG GLU 97 3.187 -3.535 4.879 712 2HG GLU 97 2HG GLU 97 1.959 -2.987 6.020 713 H LEU 98 H LEU 98 0.539 -3.580 1.658 714 HA LEU 98 HA LEU 98 1.476 -6.282 2.009 715 1HB LEU 98 1HB LEU 98 -0.346 -6.817 0.305 716 2HB LEU 98 2HB LEU 98 -0.676 -5.091 0.249 717 HG LEU 98 HG LEU 98 -0.502 -6.293 2.960 718 1HD1 LEU 98 1HD1 LEU 98 -1.123 -4.042 2.975 719 2HD1 LEU 98 2HD1 LEU 98 -2.695 -4.839 3.031 720 3HD1 LEU 98 3HD1 LEU 98 -2.087 -4.194 1.506 721 1HD2 LEU 98 1HD2 LEU 98 -3.074 -6.649 1.447 722 2HD2 LEU 98 2HD2 LEU 98 -2.506 -7.489 2.890 723 3HD2 LEU 98 3HD2 LEU 98 -1.820 -7.883 1.314 724 H ALA 99 H ALA 99 1.808 -3.930 -0.618 725 HA ALA 99 HA ALA 99 2.764 -5.764 -2.614 726 1HB ALA 99 1HB ALA 99 3.611 -2.871 -2.398 727 2HB ALA 99 2HB ALA 99 1.993 -3.327 -2.931 728 3HB ALA 99 3HB ALA 99 3.403 -3.842 -3.856 729 H ASN 100 H ASN 100 4.413 -3.906 -0.062 730 HA ASN 100 HA ASN 100 7.094 -4.599 -0.894 731 1HB ASN 100 1HB ASN 100 7.644 -3.972 1.537 732 2HB ASN 100 2HB ASN 100 5.928 -3.615 1.722 733 1HD2 ASN 100 1HD2 ASN 100 6.532 -1.298 2.039 734 2HD2 ASN 100 2HD2 ASN 100 6.933 -0.337 0.698 735 H CYS 101 H CYS 101 4.961 -5.877 1.698 736 HA CYS 101 HA CYS 101 6.690 -8.006 2.505 737 1HB CYS 101 1HB CYS 101 4.513 -9.079 3.311 738 2HB CYS 101 2HB CYS 101 3.679 -7.686 2.623 739 HG CYS 101 HG CYS 101 4.247 -6.498 4.714 740 H PHE 102 H PHE 102 4.230 -7.775 -0.033 741 HA PHE 102 HA PHE 102 4.120 -10.500 -0.837 742 1HB PHE 102 1HB PHE 102 3.949 -8.056 -2.634 743 2HB PHE 102 2HB PHE 102 2.617 -8.638 -1.639 744 HD1 PHE 102 HD1 PHE 102 4.453 -9.065 -4.728 745 HD2 PHE 102 HD2 PHE 102 1.719 -10.973 -2.025 746 HE1 PHE 102 HE1 PHE 102 3.811 -10.666 -6.508 747 HE2 PHE 102 HE2 PHE 102 1.079 -12.576 -3.800 748 HZ PHE 102 HZ PHE 102 2.110 -12.420 -6.046 749 NH1 ARG 103 NH1 ARG 103 7.110 -6.532 -7.654 750 NH2 ARG 103 NH2 ARG 103 8.304 -4.943 -6.564 751 H ARG 103 H ARG 103 6.202 -7.839 -2.067 752 HA ARG 103 HA ARG 103 7.717 -9.485 -3.860 753 1HB ARG 103 1HB ARG 103 8.788 -7.014 -2.485 754 2HB ARG 103 2HB ARG 103 7.597 -6.918 -3.782 755 1HG ARG 103 1HG ARG 103 10.230 -8.396 -4.057 756 2HG ARG 103 2HG ARG 103 10.018 -6.711 -4.527 757 1HD ARG 103 1HD ARG 103 7.872 -8.303 -5.622 758 2HD ARG 103 2HD ARG 103 9.424 -9.013 -6.063 759 HE ARG 103 HE ARG 103 9.971 -6.995 -7.259 760 1HH1 ARG 103 1HH1 ARG 103 6.386 -5.866 -7.832 761 2HH1 ARG 103 2HH1 ARG 103 7.016 -7.473 -7.981 762 1HH2 ARG 103 1HH2 ARG 103 9.122 -4.669 -6.058 763 2HH2 ARG 103 2HH2 ARG 103 7.580 -4.276 -6.742 764 H ILE 104 H ILE 104 8.080 -8.812 -0.400 765 HA ILE 104 HA ILE 104 10.746 -9.758 -0.068 766 HB ILE 104 HB ILE 104 8.370 -9.801 1.822 767 1HG1 ILE 104 1HG1 ILE 104 9.501 -7.618 0.960 768 2HG1 ILE 104 2HG1 ILE 104 10.859 -8.097 1.978 769 1HG2 ILE 104 1HG2 ILE 104 10.216 -10.082 3.583 770 2HG2 ILE 104 2HG2 ILE 104 11.264 -10.578 2.254 771 3HG2 ILE 104 3HG2 ILE 104 9.821 -11.516 2.636 772 1HD1 ILE 104 1HD1 ILE 104 8.346 -8.359 3.412 773 2HD1 ILE 104 2HD1 ILE 104 8.550 -6.721 2.794 774 3HD1 ILE 104 3HD1 ILE 104 9.780 -7.426 3.842 775 H PHE 105 H PHE 105 7.670 -11.505 -0.353 776 HA PHE 105 HA PHE 105 8.779 -14.080 0.387 777 1HB PHE 105 1HB PHE 105 6.668 -14.963 -0.707 778 2HB PHE 105 2HB PHE 105 6.259 -13.293 -1.099 779 HD1 PHE 105 HD1 PHE 105 5.052 -12.021 0.446 780 HD2 PHE 105 HD2 PHE 105 7.285 -15.423 1.822 781 HE1 PHE 105 HE1 PHE 105 4.132 -11.702 2.725 782 HE2 PHE 105 HE2 PHE 105 6.365 -15.103 4.103 783 HZ PHE 105 HZ PHE 105 4.789 -13.242 4.554 784 H ASP 106 H ASP 106 8.027 -12.526 -2.777 785 HA ASP 106 HA ASP 106 9.476 -14.738 -4.125 786 1HB ASP 106 1HB ASP 106 7.556 -14.223 -5.384 787 2HB ASP 106 2HB ASP 106 8.834 -13.371 -6.241 788 H LYS 107 H LYS 107 11.609 -14.377 -3.536 789 HA LYS 107 HA LYS 107 12.921 -11.812 -3.633 790 1HB LYS 107 1HB LYS 107 15.003 -13.100 -3.377 791 2HB LYS 107 2HB LYS 107 14.135 -14.591 -3.747 792 1HG LYS 107 1HG LYS 107 12.745 -14.322 -1.765 793 2HG LYS 107 2HG LYS 107 13.468 -12.748 -1.429 794 1HD LYS 107 1HD LYS 107 15.711 -14.252 -1.539 795 2HD LYS 107 2HD LYS 107 14.570 -15.481 -0.994 796 1HE LYS 107 1HE LYS 107 14.338 -12.873 0.385 797 2HE LYS 107 2HE LYS 107 15.853 -13.725 0.672 798 1HZ LYS 107 1HZ LYS 107 13.140 -14.879 1.025 799 2HZ LYS 107 2HZ LYS 107 14.156 -14.348 2.278 800 3HZ LYS 107 3HZ LYS 107 14.605 -15.680 1.325 801 H ASN 108 H ASN 108 12.017 -13.980 -6.141 802 HA ASN 108 HA ASN 108 14.151 -13.122 -7.979 803 1HB ASN 108 1HB ASN 108 12.528 -14.441 -9.609 804 2HB ASN 108 2HB ASN 108 11.861 -15.053 -8.095 805 1HD2 ASN 108 1HD2 ASN 108 13.581 -15.995 -6.527 806 2HD2 ASN 108 2HD2 ASN 108 14.898 -16.811 -7.220 807 H ALA 109 H ALA 109 11.040 -12.018 -6.996 808 HA ALA 109 HA ALA 109 9.703 -10.263 -7.735 809 1HB ALA 109 1HB ALA 109 12.047 -9.205 -7.799 810 2HB ALA 109 2HB ALA 109 10.791 -8.427 -8.762 811 3HB ALA 109 3HB ALA 109 11.986 -9.463 -9.542 812 H ASP 110 H ASP 110 8.997 -12.545 -8.911 813 HA ASP 110 HA ASP 110 8.956 -12.142 -11.854 814 1HB ASP 110 1HB ASP 110 8.179 -14.385 -12.029 815 2HB ASP 110 2HB ASP 110 7.673 -14.426 -10.341 816 H GLY 111 H GLY 111 6.830 -12.115 -9.025 817 1HA GLY 111 1HA GLY 111 4.517 -11.434 -10.786 818 2HA GLY 111 2HA GLY 111 4.942 -10.375 -9.442 819 H PHE 112 H PHE 112 5.358 -13.832 -9.070 820 HA PHE 112 HA PHE 112 3.110 -13.836 -7.108 821 1HB PHE 112 1HB PHE 112 2.230 -15.893 -7.917 822 2HB PHE 112 2HB PHE 112 3.642 -16.193 -8.925 823 HD1 PHE 112 HD1 PHE 112 3.674 -15.490 -11.180 824 HD2 PHE 112 HD2 PHE 112 0.770 -13.836 -8.483 825 HE1 PHE 112 HE1 PHE 112 2.556 -14.353 -13.079 826 HE2 PHE 112 HE2 PHE 112 -0.348 -12.699 -10.381 827 HZ PHE 112 HZ PHE 112 0.545 -12.957 -12.679 828 H ILE 113 H ILE 113 3.353 -15.558 -5.469 829 HA ILE 113 HA ILE 113 6.225 -16.126 -4.939 830 HB ILE 113 HB ILE 113 3.759 -16.371 -3.174 831 1HG1 ILE 113 1HG1 ILE 113 6.065 -14.416 -3.349 832 2HG1 ILE 113 2HG1 ILE 113 5.137 -14.618 -1.863 833 1HG2 ILE 113 1HG2 ILE 113 6.671 -17.052 -2.677 834 2HG2 ILE 113 2HG2 ILE 113 5.267 -18.099 -2.474 835 3HG2 ILE 113 3HG2 ILE 113 5.528 -16.751 -1.367 836 1HD1 ILE 113 1HD1 ILE 113 3.930 -12.920 -2.867 837 2HD1 ILE 113 2HD1 ILE 113 3.074 -14.326 -3.502 838 3HD1 ILE 113 3HD1 ILE 113 4.272 -13.498 -4.497 839 H ASP 114 H ASP 114 7.040 -18.174 -5.090 840 HA ASP 114 HA ASP 114 5.124 -20.366 -5.777 841 1HB ASP 114 1HB ASP 114 6.919 -21.449 -6.933 842 2HB ASP 114 2HB ASP 114 8.126 -20.414 -6.179 843 H ILE 115 H ILE 115 5.581 -22.514 -4.825 844 HA ILE 115 HA ILE 115 6.168 -22.388 -2.016 845 HB ILE 115 HB ILE 115 4.759 -24.100 -3.459 846 1HG1 ILE 115 1HG1 ILE 115 4.756 -25.592 -1.602 847 2HG1 ILE 115 2HG1 ILE 115 5.055 -23.988 -0.952 848 1HG2 ILE 115 1HG2 ILE 115 6.680 -24.918 -4.786 849 2HG2 ILE 115 2HG2 ILE 115 5.925 -26.214 -3.859 850 3HG2 ILE 115 3HG2 ILE 115 7.443 -25.506 -3.308 851 1HD1 ILE 115 1HD1 ILE 115 6.609 -26.268 -0.504 852 2HD1 ILE 115 2HD1 ILE 115 7.066 -24.605 -0.136 853 3HD1 ILE 115 3HD1 ILE 115 7.543 -25.331 -1.670 854 H GLU 116 H GLU 116 8.074 -23.216 -4.879 855 HA GLU 116 HA GLU 116 10.369 -24.231 -3.456 856 1HB GLU 116 1HB GLU 116 10.021 -24.689 -5.863 857 2HB GLU 116 2HB GLU 116 11.579 -23.921 -5.582 858 1HG GLU 116 1HG GLU 116 9.479 -21.944 -6.022 859 2HG GLU 116 2HG GLU 116 9.608 -23.066 -7.374 860 H GLU 117 H GLU 117 9.287 -20.996 -4.388 861 HA GLU 117 HA GLU 117 11.766 -19.638 -3.841 862 1HB GLU 117 1HB GLU 117 9.611 -17.894 -3.213 863 2HB GLU 117 2HB GLU 117 9.065 -18.898 -4.556 864 1HG GLU 117 1HG GLU 117 10.208 -16.883 -5.390 865 2HG GLU 117 2HG GLU 117 11.127 -18.331 -5.804 866 H LEU 118 H LEU 118 8.848 -20.267 -1.862 867 HA LEU 118 HA LEU 118 9.988 -19.093 0.537 868 1HB LEU 118 1HB LEU 118 7.690 -21.066 0.289 869 2HB LEU 118 2HB LEU 118 7.529 -19.320 0.129 870 HG LEU 118 HG LEU 118 8.888 -20.373 2.579 871 1HD1 LEU 118 1HD1 LEU 118 6.908 -18.127 2.078 872 2HD1 LEU 118 2HD1 LEU 118 8.662 -17.942 2.118 873 3HD1 LEU 118 3HD1 LEU 118 7.791 -18.417 3.577 874 1HD2 LEU 118 1HD2 LEU 118 6.488 -20.417 3.595 875 2HD2 LEU 118 2HD2 LEU 118 7.028 -21.822 2.674 876 3HD2 LEU 118 3HD2 LEU 118 5.953 -20.640 1.929 877 H GLY 119 H GLY 119 8.789 -22.377 0.891 878 1HA GLY 119 1HA GLY 119 11.086 -23.937 0.684 879 2HA GLY 119 2HA GLY 119 9.798 -24.266 1.833 880 H GLU 120 H GLU 120 13.007 -23.019 1.412 881 HA GLU 120 HA GLU 120 13.831 -23.465 4.071 882 1HB GLU 120 1HB GLU 120 15.706 -21.799 3.474 883 2HB GLU 120 2HB GLU 120 14.933 -21.693 1.892 884 1HG GLU 120 1HG GLU 120 15.067 -24.221 1.771 885 2HG GLU 120 2HG GLU 120 16.054 -24.171 3.232 886 H ILE 121 H ILE 121 12.367 -20.545 2.670 887 HA ILE 121 HA ILE 121 13.006 -18.707 4.735 888 HB ILE 121 HB ILE 121 10.683 -18.933 2.820 889 1HG1 ILE 121 1HG1 ILE 121 13.128 -17.225 3.182 890 2HG1 ILE 121 2HG1 ILE 121 11.740 -16.558 2.326 891 1HG2 ILE 121 1HG2 ILE 121 11.000 -16.961 5.099 892 2HG2 ILE 121 2HG2 ILE 121 9.602 -17.972 4.735 893 3HG2 ILE 121 3HG2 ILE 121 10.010 -16.621 3.678 894 1HD1 ILE 121 1HD1 ILE 121 11.790 -18.750 0.952 895 2HD1 ILE 121 2HD1 ILE 121 13.415 -18.960 1.603 896 3HD1 ILE 121 3HD1 ILE 121 13.034 -17.548 0.617 897 H LEU 122 H LEU 122 10.427 -21.160 4.554 898 HA LEU 122 HA LEU 122 9.148 -20.366 7.029 899 1HB LEU 122 1HB LEU 122 8.568 -23.058 6.715 900 2HB LEU 122 2HB LEU 122 8.879 -22.530 5.062 901 HG LEU 122 HG LEU 122 7.280 -20.633 5.424 902 1HD1 LEU 122 1HD1 LEU 122 5.944 -23.264 6.069 903 2HD1 LEU 122 2HD1 LEU 122 6.669 -22.958 4.492 904 3HD1 LEU 122 3HD1 LEU 122 5.339 -21.950 5.062 905 1HD2 LEU 122 1HD2 LEU 122 5.691 -21.047 7.431 906 2HD2 LEU 122 2HD2 LEU 122 7.258 -20.313 7.771 907 3HD2 LEU 122 3HD2 LEU 122 7.000 -22.030 8.089 908 NH1 ARG 123 NH1 ARG 123 15.335 -28.286 8.263 909 NH2 ARG 123 NH2 ARG 123 14.242 -26.952 9.733 910 H ARG 123 H ARG 123 11.472 -22.980 6.224 911 HA ARG 123 HA ARG 123 11.733 -23.873 8.966 912 1HB ARG 123 1HB ARG 123 13.868 -24.974 8.009 913 2HB ARG 123 2HB ARG 123 13.333 -24.340 6.451 914 1HG ARG 123 1HG ARG 123 11.270 -25.574 6.574 915 2HG ARG 123 2HG ARG 123 11.562 -26.011 8.256 916 1HD ARG 123 1HD ARG 123 13.682 -26.794 6.330 917 2HD ARG 123 2HD ARG 123 12.146 -27.645 6.170 918 HE ARG 123 HE ARG 123 12.497 -28.623 8.319 919 1HH1 ARG 123 1HH1 ARG 123 16.191 -28.133 8.757 920 2HH1 ARG 123 2HH1 ARG 123 15.324 -28.873 7.452 921 1HH2 ARG 123 1HH2 ARG 123 13.396 -26.517 10.046 922 2HH2 ARG 123 2HH2 ARG 123 15.096 -26.796 10.230 923 H ALA 124 H ALA 124 13.178 -21.249 7.191 924 HA ALA 124 HA ALA 124 15.637 -20.952 8.585 925 1HB ALA 124 1HB ALA 124 13.800 -18.965 7.243 926 2HB ALA 124 2HB ALA 124 15.319 -19.628 6.640 927 3HB ALA 124 3HB ALA 124 15.328 -18.477 7.976 928 H THR 125 H THR 125 12.377 -20.384 9.688 929 HA THR 125 HA THR 125 12.906 -18.426 11.707 930 HB THR 125 HB THR 125 10.619 -19.003 10.966 931 HG1 THR 125 HG1 THR 125 9.947 -18.445 12.865 932 1HG2 THR 125 1HG2 THR 125 9.767 -21.100 11.031 933 2HG2 THR 125 2HG2 THR 125 10.404 -21.405 12.645 934 3HG2 THR 125 3HG2 THR 125 11.436 -21.627 11.233 935 H GLY 126 H GLY 126 13.455 -21.908 11.635 936 1HA GLY 126 1HA GLY 126 14.637 -21.682 14.370 937 2HA GLY 126 2HA GLY 126 15.152 -22.841 13.148 938 H GLU 127 H GLU 127 11.748 -22.175 13.800 939 HA GLU 127 HA GLU 127 11.248 -24.220 15.723 940 1HB GLU 127 1HB GLU 127 8.880 -24.139 14.790 941 2HB GLU 127 2HB GLU 127 9.475 -22.981 13.601 942 1HG GLU 127 1HG GLU 127 10.026 -21.387 15.283 943 2HG GLU 127 2HG GLU 127 9.890 -22.584 16.571 944 H HIS 128 H HIS 128 10.551 -26.395 15.463 945 HA HIS 128 HA HIS 128 11.589 -27.718 13.058 946 1HB HIS 128 1HB HIS 128 10.073 -29.210 15.166 947 2HB HIS 128 2HB HIS 128 11.630 -28.506 15.600 948 HD1 HIS 128 HD1 HIS 128 13.744 -29.391 14.323 949 HD2 HIS 128 HD2 HIS 128 10.215 -31.399 13.378 950 HE1 HIS 128 HE1 HIS 128 14.425 -31.487 13.075 951 H VAL 129 H VAL 129 10.019 -26.764 11.547 952 HA VAL 129 HA VAL 129 7.200 -27.585 11.810 953 HB VAL 129 HB VAL 129 7.724 -25.366 10.900 954 1HG1 VAL 129 1HG1 VAL 129 8.710 -25.247 8.572 955 2HG1 VAL 129 2HG1 VAL 129 9.145 -26.947 8.747 956 3HG1 VAL 129 3HG1 VAL 129 9.847 -25.743 9.826 957 1HG2 VAL 129 1HG2 VAL 129 6.615 -27.108 8.691 958 2HG2 VAL 129 2HG2 VAL 129 6.237 -25.417 9.016 959 3HG2 VAL 129 3HG2 VAL 129 5.697 -26.670 10.132 960 H ILE 130 H ILE 130 6.132 -28.829 10.119 961 HA ILE 130 HA ILE 130 7.942 -30.907 8.960 962 HB ILE 130 HB ILE 130 5.495 -32.016 8.675 963 1HG1 ILE 130 1HG1 ILE 130 4.530 -29.926 9.847 964 2HG1 ILE 130 2HG1 ILE 130 5.241 -30.582 11.322 965 1HG2 ILE 130 1HG2 ILE 130 7.243 -32.013 11.150 966 2HG2 ILE 130 2HG2 ILE 130 7.362 -33.104 9.771 967 3HG2 ILE 130 3HG2 ILE 130 5.967 -33.191 10.846 968 1HD1 ILE 130 1HD1 ILE 130 3.307 -32.071 9.517 969 2HD1 ILE 130 2HD1 ILE 130 2.863 -31.270 11.024 970 3HD1 ILE 130 3HD1 ILE 130 3.960 -32.652 11.049 971 H GLU 131 H GLU 131 7.680 -31.528 6.768 972 HA GLU 131 HA GLU 131 6.840 -29.437 4.963 973 1HB GLU 131 1HB GLU 131 7.344 -31.083 3.195 974 2HB GLU 131 2HB GLU 131 7.458 -32.358 4.403 975 1HG GLU 131 1HG GLU 131 9.705 -31.607 3.882 976 2HG GLU 131 2HG GLU 131 9.301 -31.049 5.505 977 H GLU 132 H GLU 132 5.330 -32.347 6.253 978 HA GLU 132 HA GLU 132 3.123 -32.503 4.430 979 1HB GLU 132 1HB GLU 132 1.983 -33.690 6.366 980 2HB GLU 132 2HB GLU 132 3.418 -33.340 7.329 981 1HG GLU 132 1HG GLU 132 4.544 -34.407 5.074 982 2HG GLU 132 2HG GLU 132 3.032 -35.310 5.153 983 H ASP 133 H ASP 133 3.739 -30.528 7.312 984 HA ASP 133 HA ASP 133 0.993 -29.479 7.365 985 1HB ASP 133 1HB ASP 133 3.403 -28.340 8.802 986 2HB ASP 133 2HB ASP 133 2.513 -29.739 9.405 987 H ILE 134 H ILE 134 4.204 -28.372 6.281 988 HA ILE 134 HA ILE 134 3.406 -25.704 5.560 989 HB ILE 134 HB ILE 134 5.643 -27.448 4.473 990 1HG1 ILE 134 1HG1 ILE 134 5.473 -26.697 6.999 991 2HG1 ILE 134 2HG1 ILE 134 5.979 -25.133 6.358 992 1HG2 ILE 134 1HG2 ILE 134 5.339 -25.733 2.864 993 2HG2 ILE 134 2HG2 ILE 134 6.610 -25.117 3.920 994 3HG2 ILE 134 3HG2 ILE 134 4.955 -24.532 4.096 995 1HD1 ILE 134 1HD1 ILE 134 7.979 -26.112 5.399 996 2HD1 ILE 134 2HD1 ILE 134 7.438 -27.736 5.824 997 3HD1 ILE 134 3HD1 ILE 134 7.892 -26.598 7.091 998 H GLU 135 H GLU 135 3.763 -28.677 3.577 999 HA GLU 135 HA GLU 135 2.889 -27.520 1.121 1000 1HB GLU 135 1HB GLU 135 2.370 -30.393 1.907 1001 2HB GLU 135 2HB GLU 135 3.986 -29.816 1.506 1002 1HG GLU 135 1HG GLU 135 1.565 -29.539 -0.303 1003 2HG GLU 135 2HG GLU 135 2.781 -30.806 -0.458 1004 H ASP 136 H ASP 136 1.015 -29.389 3.540 1005 HA ASP 136 HA ASP 136 -1.512 -29.164 2.257 1006 1HB ASP 136 1HB ASP 136 -1.444 -29.106 5.236 1007 2HB ASP 136 2HB ASP 136 -0.675 -30.481 4.443 1008 H LEU 137 H LEU 137 0.249 -26.876 4.292 1009 HA LEU 137 HA LEU 137 -1.869 -25.114 4.985 1010 1HB LEU 137 1HB LEU 137 0.936 -24.241 4.250 1011 2HB LEU 137 2HB LEU 137 0.565 -25.042 5.775 1012 HG LEU 137 HG LEU 137 -1.137 -22.715 5.003 1013 1HD1 LEU 137 1HD1 LEU 137 -0.989 -22.327 7.457 1014 2HD1 LEU 137 2HD1 LEU 137 0.107 -23.703 7.590 1015 3HD1 LEU 137 3HD1 LEU 137 -1.562 -23.950 7.076 1016 1HD2 LEU 137 1HD2 LEU 137 1.651 -22.395 6.156 1017 2HD2 LEU 137 2HD2 LEU 137 0.501 -21.107 5.801 1018 3HD2 LEU 137 3HD2 LEU 137 1.224 -22.029 4.484 1019 H MET 138 H MET 138 0.218 -25.182 2.083 1020 HA MET 138 HA MET 138 -1.014 -22.898 0.819 1021 1HB MET 138 1HB MET 138 0.288 -25.128 -0.730 1022 2HB MET 138 2HB MET 138 1.265 -24.094 0.312 1023 1HG MET 138 1HG MET 138 0.551 -22.112 -0.893 1024 2HG MET 138 2HG MET 138 -0.601 -23.054 -1.841 1025 1HE MET 138 1HE MET 138 2.537 -21.603 -1.297 1026 2HE MET 138 2HE MET 138 2.279 -21.170 -2.985 1027 3HE MET 138 3HE MET 138 3.672 -22.151 -2.538 1028 H LYS 139 H LYS 139 -1.792 -26.332 0.929 1029 HA LYS 139 HA LYS 139 -3.538 -26.461 -1.333 1030 1HB LYS 139 1HB LYS 139 -4.426 -28.485 -0.332 1031 2HB LYS 139 2HB LYS 139 -3.822 -28.019 1.256 1032 1HG LYS 139 1HG LYS 139 -2.367 -29.714 0.171 1033 2HG LYS 139 2HG LYS 139 -1.508 -28.204 0.460 1034 1HD LYS 139 1HD LYS 139 -1.452 -27.652 -1.801 1035 2HD LYS 139 2HD LYS 139 -2.898 -28.593 -2.170 1036 1HE LYS 139 1HE LYS 139 -1.333 -30.614 -1.404 1037 2HE LYS 139 2HE LYS 139 -0.059 -29.496 -1.887 1038 1HZ LYS 139 1HZ LYS 139 -0.770 -30.911 -3.722 1039 2HZ LYS 139 2HZ LYS 139 -1.095 -29.276 -4.046 1040 3HZ LYS 139 3HZ LYS 139 -2.354 -30.320 -3.584 1041 H ASP 140 H ASP 140 -4.139 -25.571 2.067 1042 HA ASP 140 HA ASP 140 -7.001 -25.120 1.553 1043 1HB ASP 140 1HB ASP 140 -5.508 -24.279 4.037 1044 2HB ASP 140 2HB ASP 140 -5.947 -25.965 3.762 1045 H SER 141 H SER 141 -4.044 -23.223 1.702 1046 HA SER 141 HA SER 141 -5.439 -20.660 1.906 1047 1HB SER 141 1HB SER 141 -3.157 -19.720 1.411 1048 2HB SER 141 2HB SER 141 -2.566 -21.373 1.265 1049 HG SER 141 HG SER 141 -2.546 -21.537 3.341 1050 H ASP 142 H ASP 142 -4.656 -22.839 -0.677 1051 HA ASP 142 HA ASP 142 -4.623 -20.760 -2.746 1052 1HB ASP 142 1HB ASP 142 -5.081 -23.350 -3.862 1053 2HB ASP 142 2HB ASP 142 -3.889 -23.519 -2.577 1054 H LYS 143 H LYS 143 -6.693 -19.754 -2.388 1055 HA LYS 143 HA LYS 143 -9.180 -21.193 -2.397 1056 1HB LYS 143 1HB LYS 143 -10.220 -19.053 -2.539 1057 2HB LYS 143 2HB LYS 143 -8.811 -18.338 -3.322 1058 1HG LYS 143 1HG LYS 143 -8.807 -17.637 -1.010 1059 2HG LYS 143 2HG LYS 143 -7.507 -18.792 -1.208 1060 1HD LYS 143 1HD LYS 143 -8.675 -20.496 -0.105 1061 2HD LYS 143 2HD LYS 143 -10.240 -19.717 -0.353 1062 1HE LYS 143 1HE LYS 143 -9.583 -17.916 1.211 1063 2HE LYS 143 2HE LYS 143 -8.024 -18.702 1.459 1064 1HZ LYS 143 1HZ LYS 143 -9.151 -20.631 2.336 1065 2HZ LYS 143 2HZ LYS 143 -10.668 -19.924 2.045 1066 3HZ LYS 143 3HZ LYS 143 -9.625 -19.252 3.205 1067 H ASN 144 H ASN 144 -7.151 -19.868 -4.975 1068 HA ASN 144 HA ASN 144 -9.188 -20.532 -7.024 1069 1HB ASN 144 1HB ASN 144 -7.304 -19.654 -8.571 1070 2HB ASN 144 2HB ASN 144 -6.517 -19.126 -7.084 1071 1HD2 ASN 144 1HD2 ASN 144 -8.802 -18.203 -9.447 1072 2HD2 ASN 144 2HD2 ASN 144 -9.522 -16.926 -8.593 1073 H ASN 145 H ASN 145 -6.365 -21.890 -5.539 1074 HA ASN 145 HA ASN 145 -5.224 -23.883 -5.876 1075 1HB ASN 145 1HB ASN 145 -6.569 -25.527 -7.500 1076 2HB ASN 145 2HB ASN 145 -7.868 -24.375 -7.185 1077 1HD2 ASN 145 1HD2 ASN 145 -8.816 -24.375 -5.071 1078 2HD2 ASN 145 2HD2 ASN 145 -8.344 -25.452 -3.845 1079 H ASP 146 H ASP 146 -3.947 -22.098 -7.176 1080 HA ASP 146 HA ASP 146 -3.733 -22.919 -10.039 1081 1HB ASP 146 1HB ASP 146 -2.514 -20.464 -8.754 1082 2HB ASP 146 2HB ASP 146 -4.148 -20.470 -9.417 1083 H GLY 147 H GLY 147 -1.986 -22.632 -6.989 1084 1HA GLY 147 1HA GLY 147 0.404 -23.858 -8.302 1085 2HA GLY 147 2HA GLY 147 -0.181 -24.385 -6.724 1086 NH1 ARG 148 NH1 ARG 148 1.395 -21.550 -11.984 1087 NH2 ARG 148 NH2 ARG 148 3.583 -21.415 -12.564 1088 H ARG 148 H ARG 148 0.107 -21.066 -7.994 1089 HA ARG 148 HA ARG 148 2.189 -20.519 -5.925 1090 1HB ARG 148 1HB ARG 148 2.590 -18.467 -7.412 1091 2HB ARG 148 2HB ARG 148 1.557 -19.260 -8.597 1092 1HG ARG 148 1HG ARG 148 3.777 -20.841 -7.370 1093 2HG ARG 148 2HG ARG 148 4.183 -19.636 -8.586 1094 1HD ARG 148 1HD ARG 148 2.005 -21.663 -9.073 1095 2HD ARG 148 2HD ARG 148 3.693 -22.036 -9.413 1096 HE ARG 148 HE ARG 148 2.994 -19.535 -10.641 1097 1HH1 ARG 148 1HH1 ARG 148 1.201 -22.047 -12.830 1098 2HH1 ARG 148 2HH1 ARG 148 0.657 -21.352 -11.340 1099 1HH2 ARG 148 1HH2 ARG 148 4.515 -21.113 -12.363 1100 2HH2 ARG 148 2HH2 ARG 148 3.392 -21.911 -13.411 1101 H ILE 149 H ILE 149 2.112 -18.137 -5.188 1102 HA ILE 149 HA ILE 149 -0.729 -17.434 -4.544 1103 HB ILE 149 HB ILE 149 1.838 -16.683 -3.101 1104 1HG1 ILE 149 1HG1 ILE 149 0.721 -19.105 -3.008 1105 2HG1 ILE 149 2HG1 ILE 149 -0.379 -18.296 -1.893 1106 1HG2 ILE 149 1HG2 ILE 149 0.156 -15.880 -1.351 1107 2HG2 ILE 149 2HG2 ILE 149 -1.073 -16.009 -2.609 1108 3HG2 ILE 149 3HG2 ILE 149 0.276 -14.891 -2.805 1109 1HD1 ILE 149 1HD1 ILE 149 2.644 -18.431 -1.666 1110 2HD1 ILE 149 2HD1 ILE 149 1.477 -19.256 -0.632 1111 3HD1 ILE 149 3HD1 ILE 149 1.602 -17.497 -0.592 1112 H ASP 150 H ASP 150 -1.499 -15.434 -5.164 1113 HA ASP 150 HA ASP 150 0.439 -13.655 -6.590 1114 1HB ASP 150 1HB ASP 150 -1.051 -14.236 -8.270 1115 2HB ASP 150 2HB ASP 150 -1.815 -12.779 -7.647 1116 H PHE 151 H PHE 151 -0.364 -11.312 -6.642 1117 HA PHE 151 HA PHE 151 -0.479 -10.299 -3.965 1118 1HB PHE 151 1HB PHE 151 -1.177 -8.885 -6.557 1119 2HB PHE 151 2HB PHE 151 0.453 -9.054 -5.908 1120 HD1 PHE 151 HD1 PHE 151 0.993 -8.032 -3.647 1121 HD2 PHE 151 HD2 PHE 151 -2.660 -7.212 -5.756 1122 HE1 PHE 151 HE1 PHE 151 0.633 -6.019 -2.244 1123 HE2 PHE 151 HE2 PHE 151 -3.018 -5.200 -4.353 1124 HZ PHE 151 HZ PHE 151 -1.371 -4.603 -2.600 1125 H ASP 152 H ASP 152 -2.990 -11.126 -6.287 1126 HA ASP 152 HA ASP 152 -5.160 -9.665 -5.127 1127 1HB ASP 152 1HB ASP 152 -6.590 -11.458 -6.197 1128 2HB ASP 152 2HB ASP 152 -5.100 -12.294 -6.636 1129 H GLU 153 H GLU 153 -4.235 -13.101 -4.676 1130 HA GLU 153 HA GLU 153 -6.030 -13.534 -2.464 1131 1HB GLU 153 1HB GLU 153 -4.120 -15.430 -2.092 1132 2HB GLU 153 2HB GLU 153 -3.811 -15.009 -3.776 1133 1HG GLU 153 1HG GLU 153 -5.440 -16.779 -3.795 1134 2HG GLU 153 2HG GLU 153 -6.302 -15.291 -4.186 1135 H PHE 154 H PHE 154 -2.746 -12.312 -2.723 1136 HA PHE 154 HA PHE 154 -1.847 -12.614 -0.058 1137 1HB PHE 154 1HB PHE 154 -1.300 -10.231 -1.851 1138 2HB PHE 154 2HB PHE 154 -0.503 -11.792 -2.039 1139 HD1 PHE 154 HD1 PHE 154 -0.604 -8.683 -0.179 1140 HD2 PHE 154 HD2 PHE 154 0.849 -12.725 -0.113 1141 HE1 PHE 154 HE1 PHE 154 1.027 -8.074 1.587 1142 HE2 PHE 154 HE2 PHE 154 2.477 -12.113 1.649 1143 HZ PHE 154 HZ PHE 154 2.567 -9.787 2.500 1144 H LEU 155 H LEU 155 -3.983 -10.161 -1.487 1145 HA LEU 155 HA LEU 155 -4.013 -8.335 0.705 1146 1HB LEU 155 1HB LEU 155 -6.167 -7.556 -0.230 1147 2HB LEU 155 2HB LEU 155 -6.236 -8.985 -1.260 1148 HG LEU 155 HG LEU 155 -3.895 -8.214 -2.095 1149 1HD1 LEU 155 1HD1 LEU 155 -6.232 -8.069 -3.248 1150 2HD1 LEU 155 2HD1 LEU 155 -4.904 -7.109 -3.901 1151 3HD1 LEU 155 3HD1 LEU 155 -6.122 -6.347 -2.877 1152 1HD2 LEU 155 1HD2 LEU 155 -4.210 -6.318 -0.140 1153 2HD2 LEU 155 2HD2 LEU 155 -4.744 -5.436 -1.570 1154 3HD2 LEU 155 3HD2 LEU 155 -3.131 -6.146 -1.523 1155 H LYS 156 H LYS 156 -6.375 -10.915 -0.091 1156 HA LYS 156 HA LYS 156 -7.727 -10.720 2.460 1157 1HB LYS 156 1HB LYS 156 -7.731 -13.240 0.820 1158 2HB LYS 156 2HB LYS 156 -8.507 -11.791 0.179 1159 1HG LYS 156 1HG LYS 156 -10.117 -11.749 1.867 1160 2HG LYS 156 2HG LYS 156 -9.108 -12.657 2.993 1161 1HD LYS 156 1HD LYS 156 -9.419 -14.693 1.658 1162 2HD LYS 156 2HD LYS 156 -10.368 -13.793 0.475 1163 1HE LYS 156 1HE LYS 156 -12.148 -14.476 1.722 1164 2HE LYS 156 2HE LYS 156 -11.674 -13.169 2.805 1165 1HZ LYS 156 1HZ LYS 156 -10.791 -15.998 3.001 1166 2HZ LYS 156 2HZ LYS 156 -11.921 -15.234 4.011 1167 3HZ LYS 156 3HZ LYS 156 -10.295 -14.744 4.029 1168 H MET 157 H MET 157 -4.863 -12.382 1.346 1169 HA MET 157 HA MET 157 -4.733 -14.446 3.326 1170 1HB MET 157 1HB MET 157 -2.095 -13.519 2.634 1171 2HB MET 157 2HB MET 157 -3.105 -13.504 1.190 1172 1HG MET 157 1HG MET 157 -3.484 -15.797 1.269 1173 2HG MET 157 2HG MET 157 -3.218 -15.886 3.009 1174 1HE MET 157 1HE MET 157 -1.340 -15.957 4.188 1175 2HE MET 157 2HE MET 157 -0.305 -14.636 3.653 1176 3HE MET 157 3HE MET 157 0.316 -16.284 3.659 1177 H MET 158 H MET 158 -2.653 -11.519 3.260 1178 HA MET 158 HA MET 158 -1.524 -10.487 5.045 1179 1HB MET 158 1HB MET 158 -4.405 -10.401 5.950 1180 2HB MET 158 2HB MET 158 -3.694 -9.324 4.758 1181 1HG MET 158 1HG MET 158 -2.341 -9.534 7.419 1182 2HG MET 158 2HG MET 158 -3.845 -8.619 7.327 1183 1HE MET 158 1HE MET 158 -0.423 -9.087 6.852 1184 2HE MET 158 2HE MET 158 0.269 -7.550 6.340 1185 3HE MET 158 3HE MET 158 -0.211 -8.737 5.130 1186 H GLU 159 H GLU 159 -0.877 -12.986 5.510 1187 HA GLU 159 HA GLU 159 -1.940 -14.165 7.929 1188 1HB GLU 159 1HB GLU 159 0.846 -14.852 7.277 1189 2HB GLU 159 2HB GLU 159 -0.259 -15.031 5.914 1190 1HG GLU 159 1HG GLU 159 -1.676 -16.521 7.155 1191 2HG GLU 159 2HG GLU 159 -0.838 -16.161 8.665 1192 H GLY 160 H GLY 160 0.405 -11.662 7.307 1193 1HA GLY 160 1HA GLY 160 1.728 -10.377 8.753 1194 2HA GLY 160 2HA GLY 160 1.946 -11.843 9.711 1195 H VAL 161 H VAL 161 -1.090 -10.106 8.967 1196 HA VAL 161 HA VAL 161 -1.308 -9.297 11.818 1197 HB VAL 161 HB VAL 161 -3.151 -8.565 9.518 1198 1HG1 VAL 161 1HG1 VAL 161 -4.274 -8.077 11.518 1199 2HG1 VAL 161 2HG1 VAL 161 -3.449 -6.558 11.171 1200 3HG1 VAL 161 3HG1 VAL 161 -2.782 -7.668 12.368 1201 1HG2 VAL 161 1HG2 VAL 161 -0.659 -7.209 10.582 1202 2HG2 VAL 161 2HG2 VAL 161 -1.866 -6.371 9.608 1203 3HG2 VAL 161 3HG2 VAL 161 -0.974 -7.731 8.926 1204 H GLN 162 H GLN 162 -1.537 -11.844 11.964 1205 HA GLN 162 HA GLN 162 -4.251 -12.833 11.376 1206 1HB GLN 162 1HB GLN 162 -2.163 -14.261 13.030 1207 2HB GLN 162 2HB GLN 162 -2.066 -14.210 11.269 1208 1HG GLN 162 1HG GLN 162 -4.411 -15.136 11.193 1209 2HG GLN 162 2HG GLN 162 -4.330 -15.343 12.943 1210 1HE2 GLN 162 1HE2 GLN 162 -3.489 -17.331 13.636 1211 2HE2 GLN 162 2HE2 GLN 162 -2.545 -18.369 12.678 Start of MODEL 15 Raw file had 1211 H/Q atoms Start of MODEL 15 1 1H ALA 1 1H ALA 1 -3.690 27.169 19.509 2 2H ALA 1 2H ALA 1 -2.565 25.914 19.295 3 3H ALA 1 3H ALA 1 -3.624 26.335 18.034 4 HA ALA 1 HA ALA 1 -2.579 28.492 17.819 5 1HB ALA 1 1HB ALA 1 -1.912 28.725 20.191 6 2HB ALA 1 2HB ALA 1 -0.539 28.976 19.114 7 3HB ALA 1 3HB ALA 1 -0.715 27.448 19.976 8 H SER 2 H SER 2 -0.377 25.788 18.713 9 HA SER 2 HA SER 2 0.408 25.646 15.827 10 1HB SER 2 1HB SER 2 2.711 25.013 16.677 11 2HB SER 2 2HB SER 2 2.176 25.498 18.284 12 HG SER 2 HG SER 2 3.069 27.048 16.340 13 H MET 3 H MET 3 -1.556 24.023 16.417 14 HA MET 3 HA MET 3 -0.688 21.493 17.603 15 1HB MET 3 1HB MET 3 -3.031 22.227 17.801 16 2HB MET 3 2HB MET 3 -2.928 20.683 16.961 17 1HG MET 3 1HG MET 3 -3.997 21.569 15.186 18 2HG MET 3 2HG MET 3 -2.725 22.777 15.014 19 1HE MET 3 1HE MET 3 -3.634 24.562 14.276 20 2HE MET 3 2HE MET 3 -3.145 25.463 15.710 21 3HE MET 3 3HE MET 3 -4.764 25.681 15.050 22 H THR 4 H THR 4 -0.869 22.859 14.371 23 HA THR 4 HA THR 4 -0.472 21.937 12.248 24 HB THR 4 HB THR 4 1.710 20.649 12.192 25 HG1 THR 4 HG1 THR 4 1.968 19.692 14.074 26 1HG2 THR 4 1HG2 THR 4 1.699 23.058 11.950 27 2HG2 THR 4 2HG2 THR 4 3.042 22.607 13.000 28 3HG2 THR 4 3HG2 THR 4 1.565 23.273 13.694 29 H ASP 5 H ASP 5 -2.589 20.633 12.731 30 HA ASP 5 HA ASP 5 -2.063 17.717 12.925 31 1HB ASP 5 1HB ASP 5 -4.690 17.742 12.657 32 2HB ASP 5 2HB ASP 5 -4.517 19.447 13.076 33 H GLN 6 H GLN 6 -3.664 20.028 10.706 34 HA GLN 6 HA GLN 6 -3.962 18.087 8.574 35 1HB GLN 6 1HB GLN 6 -4.594 20.003 7.189 36 2HB GLN 6 2HB GLN 6 -3.959 21.119 8.395 37 1HG GLN 6 1HG GLN 6 -5.717 19.485 9.831 38 2HG GLN 6 2HG GLN 6 -6.546 19.770 8.301 39 1HE2 GLN 6 1HE2 GLN 6 -6.715 22.154 7.630 40 2HE2 GLN 6 2HE2 GLN 6 -6.834 23.321 8.856 41 H GLN 7 H GLN 7 -1.541 20.590 9.336 42 HA GLN 7 HA GLN 7 -0.035 20.248 6.892 43 1HB GLN 7 1HB GLN 7 1.797 21.201 8.706 44 2HB GLN 7 2HB GLN 7 0.274 21.723 9.427 45 1HG GLN 7 1HG GLN 7 0.729 22.132 6.485 46 2HG GLN 7 2HG GLN 7 1.470 23.244 7.636 47 1HE2 GLN 7 1HE2 GLN 7 0.078 24.730 8.753 48 2HE2 GLN 7 2HE2 GLN 7 -1.586 24.842 8.441 49 H ALA 8 H ALA 8 0.263 18.850 10.166 50 HA ALA 8 HA ALA 8 2.708 17.423 9.606 51 1HB ALA 8 1HB ALA 8 0.567 16.831 11.669 52 2HB ALA 8 2HB ALA 8 1.952 17.897 11.902 53 3HB ALA 8 3HB ALA 8 2.202 16.169 11.663 54 H GLU 9 H GLU 9 -0.434 16.870 8.398 55 HA GLU 9 HA GLU 9 0.205 13.979 7.978 56 1HB GLU 9 1HB GLU 9 -2.292 13.754 7.562 57 2HB GLU 9 2HB GLU 9 -2.458 15.411 8.147 58 1HG GLU 9 1HG GLU 9 -1.753 14.839 10.320 59 2HG GLU 9 2HG GLU 9 -0.987 13.345 9.780 60 H ALA 10 H ALA 10 -1.318 16.810 6.395 61 HA ALA 10 HA ALA 10 -1.425 15.653 3.779 62 1HB ALA 10 1HB ALA 10 -1.302 18.186 3.100 63 2HB ALA 10 2HB ALA 10 -1.431 18.467 4.836 64 3HB ALA 10 3HB ALA 10 -2.709 17.596 3.987 65 NH1 ARG 11 NH1 ARG 11 7.566 16.059 7.678 66 NH2 ARG 11 NH2 ARG 11 7.612 17.834 9.087 67 H ARG 11 H ARG 11 1.189 17.138 5.601 68 HA ARG 11 HA ARG 11 2.946 17.611 3.357 69 1HB ARG 11 1HB ARG 11 3.294 17.407 6.344 70 2HB ARG 11 2HB ARG 11 3.506 18.814 5.304 71 1HG ARG 11 1HG ARG 11 5.484 17.654 4.266 72 2HG ARG 11 2HG ARG 11 5.299 16.387 5.480 73 1HD ARG 11 1HD ARG 11 5.471 19.256 6.355 74 2HD ARG 11 2HD ARG 11 6.948 18.391 5.931 75 HE ARG 11 HE ARG 11 5.073 17.502 8.089 76 1HH1 ARG 11 1HH1 ARG 11 8.466 17.497 9.485 77 2HH1 ARG 11 2HH1 ARG 11 7.204 18.682 9.426 78 1HH2 ARG 11 1HH2 ARG 11 7.120 15.550 6.940 79 2HH2 ARG 11 2HH2 ARG 11 8.418 15.719 8.075 80 H ALA 12 H ALA 12 2.621 14.960 5.736 81 HA ALA 12 HA ALA 12 4.703 13.333 4.562 82 1HB ALA 12 1HB ALA 12 2.384 12.278 6.185 83 2HB ALA 12 2HB ALA 12 3.707 13.173 6.934 84 3HB ALA 12 3HB ALA 12 4.032 11.655 6.098 85 H PHE 13 H PHE 13 1.417 13.961 3.655 86 HA PHE 13 HA PHE 13 0.802 11.464 2.372 87 1HB PHE 13 1HB PHE 13 -0.188 14.227 1.602 88 2HB PHE 13 2HB PHE 13 -0.873 13.259 2.907 89 HD1 PHE 13 HD1 PHE 13 -1.661 10.850 2.294 90 HD2 PHE 13 HD2 PHE 13 -0.955 13.944 -0.602 91 HE1 PHE 13 HE1 PHE 13 -3.058 9.630 0.649 92 HE2 PHE 13 HE2 PHE 13 -2.353 12.724 -2.245 93 HZ PHE 13 HZ PHE 13 -3.405 10.567 -1.621 94 H LEU 14 H LEU 14 2.117 14.531 1.046 95 HA LEU 14 HA LEU 14 2.981 12.979 -1.361 96 1HB LEU 14 1HB LEU 14 1.586 14.739 -2.129 97 2HB LEU 14 2HB LEU 14 3.230 15.317 -2.403 98 HG LEU 14 HG LEU 14 2.752 16.198 0.160 99 1HD1 LEU 14 1HD1 LEU 14 3.161 18.211 -0.806 100 2HD1 LEU 14 2HD1 LEU 14 1.818 18.046 -1.936 101 3HD1 LEU 14 3HD1 LEU 14 3.365 17.280 -2.290 102 1HD2 LEU 14 1HD2 LEU 14 0.186 16.536 -1.428 103 2HD2 LEU 14 2HD2 LEU 14 0.522 17.212 0.166 104 3HD2 LEU 14 3HD2 LEU 14 0.372 15.466 -0.038 105 H SER 15 H SER 15 5.116 12.638 -1.589 106 HA SER 15 HA SER 15 7.012 13.856 0.292 107 1HB SER 15 1HB SER 15 8.676 12.414 -0.927 108 2HB SER 15 2HB SER 15 7.371 11.885 -1.985 109 HG SER 15 HG SER 15 6.958 10.477 -0.510 110 H GLU 16 H GLU 16 9.286 14.356 -1.046 111 HA GLU 16 HA GLU 16 8.874 16.883 -2.291 112 1HB GLU 16 1HB GLU 16 11.328 15.309 -2.954 113 2HB GLU 16 2HB GLU 16 11.040 15.715 -1.263 114 1HG GLU 16 1HG GLU 16 10.523 18.117 -2.374 115 2HG GLU 16 2HG GLU 16 11.661 17.497 -3.570 116 H GLU 17 H GLU 17 8.955 13.637 -3.654 117 HA GLU 17 HA GLU 17 9.397 14.336 -6.396 118 1HB GLU 17 1HB GLU 17 7.539 12.089 -5.762 119 2HB GLU 17 2HB GLU 17 9.174 11.979 -5.110 120 1HG GLU 17 1HG GLU 17 10.138 11.803 -7.195 121 2HG GLU 17 2HG GLU 17 8.899 12.793 -7.968 122 H MET 18 H MET 18 6.354 13.820 -4.573 123 HA MET 18 HA MET 18 4.648 14.690 -6.746 124 1HB MET 18 1HB MET 18 3.481 15.109 -4.128 125 2HB MET 18 2HB MET 18 4.285 13.543 -4.194 126 1HG MET 18 1HG MET 18 2.526 14.376 -6.479 127 2HG MET 18 2HG MET 18 1.782 13.779 -4.996 128 1HE MET 18 1HE MET 18 0.942 11.427 -5.155 129 2HE MET 18 2HE MET 18 1.326 10.482 -6.592 130 3HE MET 18 3HE MET 18 0.752 12.139 -6.765 131 H ILE 19 H ILE 19 5.863 16.225 -3.780 132 HA ILE 19 HA ILE 19 4.652 18.753 -3.963 133 HB ILE 19 HB ILE 19 7.422 17.978 -2.998 134 1HG1 ILE 19 1HG1 ILE 19 5.250 17.142 -1.867 135 2HG1 ILE 19 2HG1 ILE 19 5.017 18.818 -1.371 136 1HG2 ILE 19 1HG2 ILE 19 7.266 20.205 -1.753 137 2HG2 ILE 19 2HG2 ILE 19 5.962 20.626 -2.863 138 3HG2 ILE 19 3HG2 ILE 19 7.583 20.314 -3.484 139 1HD1 ILE 19 1HD1 ILE 19 7.199 18.806 -0.245 140 2HD1 ILE 19 2HD1 ILE 19 7.485 17.152 -0.784 141 3HD1 ILE 19 3HD1 ILE 19 6.195 17.492 0.368 142 H ALA 20 H ALA 20 7.566 17.581 -5.670 143 HA ALA 20 HA ALA 20 8.367 20.054 -6.830 144 1HB ALA 20 1HB ALA 20 9.602 18.732 -8.432 145 2HB ALA 20 2HB ALA 20 8.581 17.326 -8.131 146 3HB ALA 20 3HB ALA 20 9.680 17.903 -6.878 147 H GLU 21 H GLU 21 6.180 17.527 -8.132 148 HA GLU 21 HA GLU 21 5.531 18.943 -10.545 149 1HB GLU 21 1HB GLU 21 3.626 17.066 -9.141 150 2HB GLU 21 2HB GLU 21 5.084 16.457 -9.926 151 1HG GLU 21 1HG GLU 21 4.320 17.726 -12.010 152 2HG GLU 21 2HG GLU 21 2.772 17.945 -11.192 153 H PHE 22 H PHE 22 4.105 18.946 -7.288 154 HA PHE 22 HA PHE 22 1.845 20.613 -7.962 155 1HB PHE 22 1HB PHE 22 1.684 20.999 -5.517 156 2HB PHE 22 2HB PHE 22 3.255 20.241 -5.297 157 HD1 PHE 22 HD1 PHE 22 0.590 19.163 -7.681 158 HD2 PHE 22 HD2 PHE 22 2.652 18.328 -4.003 159 HE1 PHE 22 HE1 PHE 22 -0.499 16.939 -7.572 160 HE2 PHE 22 HE2 PHE 22 1.560 16.106 -3.899 161 HZ PHE 22 HZ PHE 22 -0.015 15.411 -5.682 162 H LYS 23 H LYS 23 5.223 21.263 -7.199 163 HA LYS 23 HA LYS 23 4.996 24.030 -6.521 164 1HB LYS 23 1HB LYS 23 7.336 22.925 -8.064 165 2HB LYS 23 2HB LYS 23 7.055 22.434 -6.394 166 1HG LYS 23 1HG LYS 23 6.829 25.028 -5.980 167 2HG LYS 23 2HG LYS 23 7.739 25.149 -7.486 168 1HD LYS 23 1HD LYS 23 9.467 25.071 -5.925 169 2HD LYS 23 2HD LYS 23 9.302 23.362 -6.328 170 1HE LYS 23 1HE LYS 23 9.328 23.389 -3.962 171 2HE LYS 23 2HE LYS 23 7.616 23.271 -4.363 172 1HZ LYS 23 1HZ LYS 23 8.211 24.979 -2.651 173 2HZ LYS 23 2HZ LYS 23 7.312 25.564 -3.970 174 3HZ LYS 23 3HZ LYS 23 8.985 25.856 -3.878 175 H ALA 24 H ALA 24 5.182 22.372 -9.668 176 HA ALA 24 HA ALA 24 5.626 24.632 -11.325 177 1HB ALA 24 1HB ALA 24 4.057 22.093 -11.831 178 2HB ALA 24 2HB ALA 24 5.727 22.426 -12.289 179 3HB ALA 24 3HB ALA 24 4.407 23.283 -13.084 180 H ALA 25 H ALA 25 2.540 23.238 -10.199 181 HA ALA 25 HA ALA 25 0.915 25.285 -11.454 182 1HB ALA 25 1HB ALA 25 0.228 23.422 -9.161 183 2HB ALA 25 2HB ALA 25 0.036 23.043 -10.873 184 3HB ALA 25 3HB ALA 25 -0.924 24.329 -10.143 185 H PHE 26 H PHE 26 2.584 25.045 -8.374 186 HA PHE 26 HA PHE 26 1.078 27.058 -6.976 187 1HB PHE 26 1HB PHE 26 3.985 26.324 -6.535 188 2HB PHE 26 2HB PHE 26 2.633 25.377 -5.913 189 HD1 PHE 26 HD1 PHE 26 4.856 28.047 -5.218 190 HD2 PHE 26 HD2 PHE 26 0.807 26.757 -4.579 191 HE1 PHE 26 HE1 PHE 26 4.670 29.584 -3.280 192 HE2 PHE 26 HE2 PHE 26 0.624 28.295 -2.643 193 HZ PHE 26 HZ PHE 26 2.554 29.706 -1.994 194 H ASP 27 H ASP 27 4.166 27.260 -8.823 195 HA ASP 27 HA ASP 27 4.562 30.050 -8.348 196 1HB ASP 27 1HB ASP 27 6.391 28.703 -9.198 197 2HB ASP 27 2HB ASP 27 6.057 30.001 -10.340 198 H MET 28 H MET 28 2.324 28.431 -10.463 199 HA MET 28 HA MET 28 1.937 30.529 -12.382 200 1HB MET 28 1HB MET 28 -0.236 28.669 -11.409 201 2HB MET 28 2HB MET 28 1.063 28.108 -12.460 202 1HG MET 28 1HG MET 28 0.452 29.972 -14.057 203 2HG MET 28 2HG MET 28 -0.952 30.295 -13.039 204 1HE MET 28 1HE MET 28 -2.855 29.748 -14.942 205 2HE MET 28 2HE MET 28 -2.369 28.652 -16.232 206 3HE MET 28 3HE MET 28 -1.326 30.002 -15.792 207 H PHE 29 H PHE 29 -0.034 29.659 -9.524 208 HA PHE 29 HA PHE 29 -1.602 32.048 -9.521 209 1HB PHE 29 1HB PHE 29 -1.733 31.436 -6.964 210 2HB PHE 29 2HB PHE 29 -0.893 29.973 -7.469 211 HD1 PHE 29 HD1 PHE 29 -3.872 32.091 -8.313 212 HD2 PHE 29 HD2 PHE 29 -2.096 28.177 -8.385 213 HE1 PHE 29 HE1 PHE 29 -6.005 31.135 -9.144 214 HE2 PHE 29 HE2 PHE 29 -4.230 27.225 -9.214 215 HZ PHE 29 HZ PHE 29 -6.184 28.703 -9.594 216 H ASP 30 H ASP 30 1.581 31.291 -8.366 217 HA ASP 30 HA ASP 30 1.903 33.794 -6.842 218 1HB ASP 30 1HB ASP 30 4.088 31.878 -7.640 219 2HB ASP 30 2HB ASP 30 2.995 31.516 -6.306 220 H ALA 31 H ALA 31 1.198 34.317 -9.507 221 HA ALA 31 HA ALA 31 3.408 34.721 -11.280 222 1HB ALA 31 1HB ALA 31 1.151 34.722 -12.157 223 2HB ALA 31 2HB ALA 31 1.857 36.309 -12.458 224 3HB ALA 31 3HB ALA 31 0.709 36.092 -11.137 225 H ASP 32 H ASP 32 2.270 36.577 -8.538 226 HA ASP 32 HA ASP 32 3.681 39.022 -9.346 227 1HB ASP 32 1HB ASP 32 2.753 38.455 -6.542 228 2HB ASP 32 2HB ASP 32 1.571 38.789 -7.807 229 H GLY 33 H GLY 33 4.279 36.218 -7.256 230 1HA GLY 33 1HA GLY 33 7.020 37.316 -6.725 231 2HA GLY 33 2HA GLY 33 6.735 35.619 -7.108 232 H GLY 34 H GLY 34 7.981 35.555 -4.928 233 1HA GLY 34 1HA GLY 34 6.152 35.902 -2.600 234 2HA GLY 34 2HA GLY 34 7.902 35.712 -2.499 235 H GLY 35 H GLY 35 6.820 34.048 -0.841 236 1HA GLY 35 1HA GLY 35 7.240 31.654 -0.540 237 2HA GLY 35 2HA GLY 35 6.814 31.405 -2.230 238 H ASP 36 H ASP 36 4.441 33.304 -1.838 239 HA ASP 36 HA ASP 36 2.533 31.243 -1.037 240 1HB ASP 36 1HB ASP 36 2.414 31.870 1.141 241 2HB ASP 36 2HB ASP 36 1.538 33.272 0.538 242 H ILE 37 H ILE 37 0.314 31.900 -1.505 243 HA ILE 37 HA ILE 37 0.232 34.030 -3.606 244 HB ILE 37 HB ILE 37 -1.748 31.809 -2.992 245 1HG1 ILE 37 1HG1 ILE 37 0.683 31.355 -3.998 246 2HG1 ILE 37 2HG1 ILE 37 -0.069 31.942 -5.480 247 1HG2 ILE 37 1HG2 ILE 37 -2.533 32.452 -5.355 248 2HG2 ILE 37 2HG2 ILE 37 -1.582 33.923 -5.154 249 3HG2 ILE 37 3HG2 ILE 37 -2.927 33.587 -4.065 250 1HD1 ILE 37 1HD1 ILE 37 -1.910 30.263 -5.124 251 2HD1 ILE 37 2HD1 ILE 37 -0.991 29.617 -3.765 252 3HD1 ILE 37 3HD1 ILE 37 -0.328 29.533 -5.397 253 H SER 38 H SER 38 -1.451 35.643 -3.502 254 HA SER 38 HA SER 38 -2.735 35.869 -0.804 255 1HB SER 38 1HB SER 38 -2.616 38.344 -1.138 256 2HB SER 38 2HB SER 38 -1.718 38.071 -2.629 257 HG SER 38 HG SER 38 -0.031 37.992 -1.407 258 H THR 39 H THR 39 -4.675 37.553 -1.008 259 HA THR 39 HA THR 39 -6.633 36.351 -2.747 260 HB THR 39 HB THR 39 -6.974 39.077 -1.499 261 HG1 THR 39 HG1 THR 39 -6.725 38.238 0.390 262 1HG2 THR 39 1HG2 THR 39 -8.811 36.705 -1.933 263 2HG2 THR 39 2HG2 THR 39 -8.798 38.192 -2.880 264 3HG2 THR 39 3HG2 THR 39 -9.281 38.231 -1.186 265 H LYS 40 H LYS 40 -4.827 39.425 -2.901 266 HA LYS 40 HA LYS 40 -6.125 40.403 -5.285 267 1HB LYS 40 1HB LYS 40 -4.448 42.079 -5.349 268 2HB LYS 40 2HB LYS 40 -3.266 41.050 -4.543 269 1HG LYS 40 1HG LYS 40 -4.315 41.295 -2.442 270 2HG LYS 40 2HG LYS 40 -5.816 41.883 -3.158 271 1HD LYS 40 1HD LYS 40 -4.350 43.852 -4.038 272 2HD LYS 40 2HD LYS 40 -3.192 43.330 -2.814 273 1HE LYS 40 1HE LYS 40 -4.419 44.797 -1.526 274 2HE LYS 40 2HE LYS 40 -5.407 43.355 -1.293 275 1HZ LYS 40 1HZ LYS 40 -5.865 45.442 -3.358 276 2HZ LYS 40 2HZ LYS 40 -6.748 45.270 -1.917 277 3HZ LYS 40 3HZ LYS 40 -6.823 44.064 -3.111 278 H GLU 41 H GLU 41 -3.079 38.622 -4.743 279 HA GLU 41 HA GLU 41 -2.237 38.412 -7.453 280 1HB GLU 41 1HB GLU 41 -1.434 36.020 -6.354 281 2HB GLU 41 2HB GLU 41 -1.674 37.014 -4.918 282 1HG GLU 41 1HG GLU 41 -0.316 38.815 -6.225 283 2HG GLU 41 2HG GLU 41 0.201 37.462 -7.233 284 H LEU 42 H LEU 42 -4.553 36.469 -5.595 285 HA LEU 42 HA LEU 42 -4.907 34.328 -7.434 286 1HB LEU 42 1HB LEU 42 -7.363 35.208 -6.080 287 2HB LEU 42 2HB LEU 42 -5.986 35.055 -4.996 288 HG LEU 42 HG LEU 42 -7.300 32.945 -5.210 289 1HD1 LEU 42 1HD1 LEU 42 -7.358 31.721 -7.273 290 2HD1 LEU 42 2HD1 LEU 42 -6.241 32.848 -8.043 291 3HD1 LEU 42 3HD1 LEU 42 -7.880 33.363 -7.647 292 1HD2 LEU 42 1HD2 LEU 42 -4.421 33.117 -6.055 293 2HD2 LEU 42 2HD2 LEU 42 -5.220 31.545 -6.020 294 3HD2 LEU 42 3HD2 LEU 42 -5.104 32.509 -4.548 295 H GLY 43 H GLY 43 -7.027 37.188 -7.014 296 1HA GLY 43 1HA GLY 43 -8.335 38.361 -8.569 297 2HA GLY 43 2HA GLY 43 -8.625 36.788 -9.308 298 H THR 44 H THR 44 -5.421 38.270 -9.016 299 HA THR 44 HA THR 44 -5.365 39.394 -11.680 300 HB THR 44 HB THR 44 -2.988 38.500 -10.016 301 HG1 THR 44 HG1 THR 44 -3.681 39.971 -8.699 302 1HG2 THR 44 1HG2 THR 44 -2.647 39.135 -12.450 303 2HG2 THR 44 2HG2 THR 44 -1.749 40.115 -11.292 304 3HG2 THR 44 3HG2 THR 44 -3.220 40.751 -12.030 305 H VAL 45 H VAL 45 -4.406 36.252 -10.320 306 HA VAL 45 HA VAL 45 -3.222 35.259 -12.766 307 HB VAL 45 HB VAL 45 -4.343 33.756 -10.372 308 1HG1 VAL 45 1HG1 VAL 45 -4.129 32.355 -12.420 309 2HG1 VAL 45 2HG1 VAL 45 -2.990 31.874 -11.165 310 3HG1 VAL 45 3HG1 VAL 45 -2.435 32.825 -12.543 311 1HG2 VAL 45 1HG2 VAL 45 -2.163 35.468 -10.491 312 2HG2 VAL 45 2HG2 VAL 45 -1.434 33.886 -10.761 313 3HG2 VAL 45 3HG2 VAL 45 -2.385 34.180 -9.306 314 H MET 46 H MET 46 -6.512 35.239 -11.437 315 HA MET 46 HA MET 46 -7.580 33.326 -13.314 316 1HB MET 46 1HB MET 46 -9.745 34.028 -12.574 317 2HB MET 46 2HB MET 46 -9.136 35.599 -12.058 318 1HG MET 46 1HG MET 46 -8.811 34.747 -10.002 319 2HG MET 46 2HG MET 46 -7.603 33.655 -10.676 320 1HE MET 46 1HE MET 46 -7.555 31.551 -10.481 321 2HE MET 46 2HE MET 46 -8.504 31.136 -11.908 322 3HE MET 46 3HE MET 46 -8.843 30.344 -10.371 323 NH1 ARG 47 NH1 ARG 47 -5.155 43.053 -14.825 324 NH2 ARG 47 NH2 ARG 47 -7.264 43.066 -13.993 325 H ARG 47 H ARG 47 -7.780 36.897 -13.252 326 HA ARG 47 HA ARG 47 -8.865 37.180 -15.888 327 1HB ARG 47 1HB ARG 47 -9.045 39.075 -14.454 328 2HB ARG 47 2HB ARG 47 -7.889 39.527 -15.702 329 1HG ARG 47 1HG ARG 47 -6.559 38.200 -13.526 330 2HG ARG 47 2HG ARG 47 -7.465 39.592 -12.935 331 1HD ARG 47 1HD ARG 47 -6.151 40.314 -15.387 332 2HD ARG 47 2HD ARG 47 -4.965 39.581 -14.307 333 HE ARG 47 HE ARG 47 -5.693 41.284 -12.591 334 1HH1 ARG 47 1HH1 ARG 47 -7.433 43.950 -14.430 335 2HH1 ARG 47 2HH1 ARG 47 -7.986 42.629 -13.457 336 1HH2 ARG 47 1HH2 ARG 47 -4.265 42.608 -14.924 337 2HH2 ARG 47 2HH2 ARG 47 -5.322 43.938 -15.263 338 H MET 48 H MET 48 -5.605 36.525 -14.811 339 HA MET 48 HA MET 48 -4.155 37.605 -17.021 340 1HB MET 48 1HB MET 48 -3.465 36.204 -14.748 341 2HB MET 48 2HB MET 48 -2.355 36.603 -16.052 342 1HG MET 48 1HG MET 48 -2.679 34.441 -17.085 343 2HG MET 48 2HG MET 48 -3.988 34.049 -15.971 344 1HE MET 48 1HE MET 48 -0.491 34.560 -16.765 345 2HE MET 48 2HE MET 48 0.488 33.933 -15.441 346 3HE MET 48 3HE MET 48 -0.178 35.561 -15.340 347 H LEU 49 H LEU 49 -6.017 34.639 -16.631 348 HA LEU 49 HA LEU 49 -5.327 33.702 -19.351 349 1HB LEU 49 1HB LEU 49 -7.286 32.559 -17.327 350 2HB LEU 49 2HB LEU 49 -5.592 32.084 -17.451 351 HG LEU 49 HG LEU 49 -6.476 31.839 -20.061 352 1HD1 LEU 49 1HD1 LEU 49 -6.352 29.792 -17.828 353 2HD1 LEU 49 2HD1 LEU 49 -5.055 30.227 -18.941 354 3HD1 LEU 49 3HD1 LEU 49 -6.481 29.376 -19.538 355 1HD2 LEU 49 1HD2 LEU 49 -8.736 31.455 -18.157 356 2HD2 LEU 49 2HD2 LEU 49 -8.552 30.235 -19.416 357 3HD2 LEU 49 3HD2 LEU 49 -8.766 31.930 -19.855 358 H GLY 50 H GLY 50 -7.801 35.490 -17.649 359 1HA GLY 50 1HA GLY 50 -9.550 35.414 -20.069 360 2HA GLY 50 2HA GLY 50 -9.125 36.941 -19.306 361 H GLN 51 H GLN 51 -9.340 35.397 -16.597 362 HA GLN 51 HA GLN 51 -12.260 35.004 -16.467 363 1HB GLN 51 1HB GLN 51 -10.643 34.761 -14.002 364 2HB GLN 51 2HB GLN 51 -10.251 33.619 -15.286 365 1HG GLN 51 1HG GLN 51 -12.349 32.620 -15.218 366 2HG GLN 51 2HG GLN 51 -13.134 34.072 -14.592 367 1HE2 GLN 51 1HE2 GLN 51 -12.877 34.533 -12.252 368 2HE2 GLN 51 2HE2 GLN 51 -12.419 33.299 -11.180 369 H ASN 52 H ASN 52 -13.549 36.089 -14.827 370 HA ASN 52 HA ASN 52 -12.377 38.651 -13.832 371 1HB ASN 52 1HB ASN 52 -15.036 39.267 -14.316 372 2HB ASN 52 2HB ASN 52 -14.618 38.263 -15.700 373 1HD2 ASN 52 1HD2 ASN 52 -14.888 41.381 -15.091 374 2HD2 ASN 52 2HD2 ASN 52 -13.544 42.018 -15.908 375 HA PRO 53 HA PRO 53 -14.542 36.288 -10.496 376 1HB PRO 53 1HB PRO 53 -12.685 35.018 -9.991 377 2HB PRO 53 2HB PRO 53 -12.405 36.271 -8.771 378 1HG PRO 53 1HG PRO 53 -10.615 35.643 -10.794 379 2HG PRO 53 2HG PRO 53 -10.676 37.219 -9.991 380 1HD PRO 53 1HD PRO 53 -11.463 36.507 -12.738 381 2HD PRO 53 2HD PRO 53 -11.229 38.119 -12.029 382 H THR 54 H THR 54 -15.119 37.121 -8.327 383 HA THR 54 HA THR 54 -14.960 40.067 -8.200 384 HB THR 54 HB THR 54 -16.418 38.268 -6.259 385 HG1 THR 54 HG1 THR 54 -17.472 37.628 -7.968 386 1HG2 THR 54 1HG2 THR 54 -16.349 40.562 -5.596 387 2HG2 THR 54 2HG2 THR 54 -17.954 40.282 -6.273 388 3HG2 THR 54 3HG2 THR 54 -16.725 41.109 -7.230 389 H LYS 55 H LYS 55 -14.247 41.149 -6.242 390 HA LYS 55 HA LYS 55 -11.847 40.027 -5.102 391 1HB LYS 55 1HB LYS 55 -12.088 42.038 -3.509 392 2HB LYS 55 2HB LYS 55 -13.517 42.461 -4.452 393 1HG LYS 55 1HG LYS 55 -11.262 41.822 -6.180 394 2HG LYS 55 2HG LYS 55 -10.857 43.120 -5.057 395 1HD LYS 55 1HD LYS 55 -12.636 44.486 -5.826 396 2HD LYS 55 2HD LYS 55 -13.446 43.133 -6.613 397 1HE LYS 55 1HE LYS 55 -10.674 43.841 -7.505 398 2HE LYS 55 2HE LYS 55 -12.006 44.877 -8.020 399 1HZ LYS 55 1HZ LYS 55 -11.839 41.936 -8.413 400 2HZ LYS 55 2HZ LYS 55 -11.619 43.117 -9.613 401 3HZ LYS 55 3HZ LYS 55 -13.140 42.917 -8.884 402 H GLU 56 H GLU 56 -15.100 40.637 -3.725 403 HA GLU 56 HA GLU 56 -14.487 39.447 -1.170 404 1HB GLU 56 1HB GLU 56 -16.363 41.038 -1.499 405 2HB GLU 56 2HB GLU 56 -16.904 39.529 -0.768 406 1HG GLU 56 1HG GLU 56 -17.619 38.724 -3.012 407 2HG GLU 56 2HG GLU 56 -17.130 40.272 -3.703 408 H GLU 57 H GLU 57 -15.567 38.118 -4.244 409 HA GLU 57 HA GLU 57 -16.480 35.576 -3.192 410 1HB GLU 57 1HB GLU 57 -16.001 34.866 -5.663 411 2HB GLU 57 2HB GLU 57 -15.703 36.583 -5.926 412 1HG GLU 57 1HG GLU 57 -17.988 36.449 -6.375 413 2HG GLU 57 2HG GLU 57 -18.006 36.864 -4.661 414 H LEU 58 H LEU 58 -13.441 36.681 -4.696 415 HA LEU 58 HA LEU 58 -12.073 34.159 -4.360 416 1HB LEU 58 1HB LEU 58 -10.104 36.115 -4.475 417 2HB LEU 58 2HB LEU 58 -11.455 36.849 -5.339 418 HG LEU 58 HG LEU 58 -11.657 34.722 -6.672 419 1HD1 LEU 58 1HD1 LEU 58 -9.155 36.404 -6.726 420 2HD1 LEU 58 2HD1 LEU 58 -10.546 36.464 -7.808 421 3HD1 LEU 58 3HD1 LEU 58 -9.406 35.122 -7.912 422 1HD2 LEU 58 1HD2 LEU 58 -9.701 33.186 -6.627 423 2HD2 LEU 58 2HD2 LEU 58 -10.538 33.222 -5.075 424 3HD2 LEU 58 3HD2 LEU 58 -9.027 34.107 -5.284 425 H ASP 59 H ASP 59 -12.446 37.038 -2.374 426 HA ASP 59 HA ASP 59 -10.404 36.431 -0.443 427 1HB ASP 59 1HB ASP 59 -12.983 37.916 0.126 428 2HB ASP 59 2HB ASP 59 -11.632 38.656 -0.732 429 H ALA 60 H ALA 60 -13.788 35.452 -0.804 430 HA ALA 60 HA ALA 60 -14.001 34.175 1.788 431 1HB ALA 60 1HB ALA 60 -16.068 34.704 0.739 432 2HB ALA 60 2HB ALA 60 -15.943 32.949 0.608 433 3HB ALA 60 3HB ALA 60 -15.574 33.966 -0.785 434 H ILE 61 H ILE 61 -12.889 33.202 -1.403 435 HA ILE 61 HA ILE 61 -12.768 30.374 -0.990 436 HB ILE 61 HB ILE 61 -11.395 32.339 -2.817 437 1HG1 ILE 61 1HG1 ILE 61 -13.784 31.275 -3.046 438 2HG1 ILE 61 2HG1 ILE 61 -12.902 29.845 -3.581 439 1HG2 ILE 61 1HG2 ILE 61 -10.729 29.392 -2.519 440 2HG2 ILE 61 2HG2 ILE 61 -9.618 30.754 -2.382 441 3HG2 ILE 61 3HG2 ILE 61 -10.320 30.344 -3.946 442 1HD1 ILE 61 1HD1 ILE 61 -13.286 30.992 -5.594 443 2HD1 ILE 61 2HD1 ILE 61 -11.658 31.516 -5.163 444 3HD1 ILE 61 3HD1 ILE 61 -13.036 32.571 -4.851 445 H ILE 62 H ILE 62 -10.605 33.017 -0.062 446 HA ILE 62 HA ILE 62 -8.568 31.111 0.932 447 HB ILE 62 HB ILE 62 -8.540 34.140 1.098 448 1HG1 ILE 62 1HG1 ILE 62 -8.761 33.362 -1.253 449 2HG1 ILE 62 2HG1 ILE 62 -7.365 32.313 -1.026 450 1HG2 ILE 62 1HG2 ILE 62 -6.065 33.738 1.244 451 2HG2 ILE 62 2HG2 ILE 62 -6.390 32.005 1.305 452 3HG2 ILE 62 3HG2 ILE 62 -6.958 33.053 2.603 453 1HD1 ILE 62 1HD1 ILE 62 -5.977 34.306 -0.509 454 2HD1 ILE 62 2HD1 ILE 62 -7.380 35.336 -0.792 455 3HD1 ILE 62 3HD1 ILE 62 -6.688 34.406 -2.119 456 H GLU 63 H GLU 63 -11.284 32.934 2.092 457 HA GLU 63 HA GLU 63 -10.556 33.345 4.812 458 1HB GLU 63 1HB GLU 63 -13.305 32.584 4.706 459 2HB GLU 63 2HB GLU 63 -12.948 33.480 3.230 460 1HG GLU 63 1HG GLU 63 -12.258 35.396 4.422 461 2HG GLU 63 2HG GLU 63 -12.015 34.487 5.913 462 H GLU 64 H GLU 64 -11.713 30.476 3.095 463 HA GLU 64 HA GLU 64 -12.165 28.833 5.425 464 1HB GLU 64 1HB GLU 64 -11.208 27.425 3.019 465 2HB GLU 64 2HB GLU 64 -12.554 28.519 2.708 466 1HG GLU 64 1HG GLU 64 -13.635 26.517 3.305 467 2HG GLU 64 2HG GLU 64 -13.626 27.421 4.819 468 H VAL 65 H VAL 65 -9.335 29.458 3.369 469 HA VAL 65 HA VAL 65 -7.583 27.555 4.673 470 HB VAL 65 HB VAL 65 -6.926 30.075 3.106 471 1HG1 VAL 65 1HG1 VAL 65 -4.854 29.635 3.952 472 2HG1 VAL 65 2HG1 VAL 65 -4.835 28.363 2.730 473 3HG1 VAL 65 3HG1 VAL 65 -5.277 27.982 4.394 474 1HG2 VAL 65 1HG2 VAL 65 -7.460 27.211 2.329 475 2HG2 VAL 65 2HG2 VAL 65 -6.397 28.214 1.341 476 3HG2 VAL 65 3HG2 VAL 65 -8.076 28.689 1.592 477 H ASP 66 H ASP 66 -8.650 30.807 5.396 478 HA ASP 66 HA ASP 66 -6.526 31.534 7.201 479 1HB ASP 66 1HB ASP 66 -9.385 32.535 7.177 480 2HB ASP 66 2HB ASP 66 -8.113 33.150 6.124 481 H GLU 67 H GLU 67 -8.767 29.076 7.542 482 HA GLU 67 HA GLU 67 -9.788 29.290 10.155 483 1HB GLU 67 1HB GLU 67 -9.150 26.606 9.925 484 2HB GLU 67 2HB GLU 67 -9.253 27.123 8.243 485 1HG GLU 67 1HG GLU 67 -11.478 26.587 8.693 486 2HG GLU 67 2HG GLU 67 -11.463 28.313 9.056 487 H ASP 68 H ASP 68 -6.601 28.091 9.079 488 HA ASP 68 HA ASP 68 -5.682 27.435 11.748 489 1HB ASP 68 1HB ASP 68 -3.372 27.743 10.417 490 2HB ASP 68 2HB ASP 68 -4.458 27.649 9.032 491 H GLY 69 H GLY 69 -5.576 30.334 9.717 492 1HA GLY 69 1HA GLY 69 -4.327 31.798 12.014 493 2HA GLY 69 2HA GLY 69 -5.564 32.501 10.976 494 H SER 70 H SER 70 -4.449 31.504 8.473 495 HA SER 70 HA SER 70 -1.757 32.750 8.351 496 1HB SER 70 1HB SER 70 -2.380 31.903 5.790 497 2HB SER 70 2HB SER 70 -3.202 30.720 6.801 498 HG SER 70 HG SER 70 -0.560 31.029 6.350 499 H GLY 71 H GLY 71 -4.801 32.897 6.432 500 1HA GLY 71 1HA GLY 71 -4.332 35.831 6.101 501 2HA GLY 71 2HA GLY 71 -5.903 35.039 5.964 502 H THR 72 H THR 72 -2.710 34.345 4.503 503 HA THR 72 HA THR 72 -3.942 34.656 1.796 504 HB THR 72 HB THR 72 -1.513 34.768 1.048 505 HG1 THR 72 HG1 THR 72 -0.177 34.166 2.540 506 1HG2 THR 72 1HG2 THR 72 -2.706 36.828 1.203 507 2HG2 THR 72 2HG2 THR 72 -1.172 37.091 2.033 508 3HG2 THR 72 3HG2 THR 72 -2.643 36.809 2.966 509 H ILE 73 H ILE 73 -2.571 33.075 0.161 510 HA ILE 73 HA ILE 73 -2.961 30.368 1.332 511 HB ILE 73 HB ILE 73 -2.213 30.806 -1.535 512 1HG1 ILE 73 1HG1 ILE 73 -4.036 32.455 -1.016 513 2HG1 ILE 73 2HG1 ILE 73 -5.028 31.120 -0.433 514 1HG2 ILE 73 1HG2 ILE 73 -3.502 28.796 -1.855 515 2HG2 ILE 73 2HG2 ILE 73 -4.173 28.905 -0.228 516 3HG2 ILE 73 3HG2 ILE 73 -2.464 28.535 -0.454 517 1HD1 ILE 73 1HD1 ILE 73 -4.884 30.058 -2.669 518 2HD1 ILE 73 2HD1 ILE 73 -3.920 31.419 -3.243 519 3HD1 ILE 73 3HD1 ILE 73 -5.599 31.667 -2.764 520 H ASP 74 H ASP 74 -1.290 29.037 1.732 521 HA ASP 74 HA ASP 74 1.468 30.017 1.162 522 1HB ASP 74 1HB ASP 74 2.137 28.402 2.961 523 2HB ASP 74 2HB ASP 74 0.436 28.026 3.201 524 H PHE 75 H PHE 75 3.067 28.043 0.967 525 HA PHE 75 HA PHE 75 2.258 26.529 -1.369 526 1HB PHE 75 1HB PHE 75 4.708 26.134 0.380 527 2HB PHE 75 2HB PHE 75 4.619 27.256 -0.978 528 HD1 PHE 75 HD1 PHE 75 6.059 24.324 -0.220 529 HD2 PHE 75 HD2 PHE 75 3.195 25.824 -3.047 530 HE1 PHE 75 HE1 PHE 75 6.626 22.479 -1.777 531 HE2 PHE 75 HE2 PHE 75 3.763 23.980 -4.603 532 HZ PHE 75 HZ PHE 75 5.479 22.308 -3.969 533 H GLU 76 H GLU 76 2.996 25.624 2.016 534 HA GLU 76 HA GLU 76 2.258 22.860 1.688 535 1HB GLU 76 1HB GLU 76 1.814 23.293 4.335 536 2HB GLU 76 2HB GLU 76 2.832 24.684 3.964 537 1HG GLU 76 1HG GLU 76 4.604 23.281 3.160 538 2HG GLU 76 2HG GLU 76 3.563 21.857 3.153 539 H GLU 77 H GLU 77 0.391 25.780 2.084 540 HA GLU 77 HA GLU 77 -2.041 24.460 3.022 541 1HB GLU 77 1HB GLU 77 -3.064 26.670 1.995 542 2HB GLU 77 2HB GLU 77 -1.379 27.183 1.920 543 1HG GLU 77 1HG GLU 77 -2.564 27.857 4.043 544 2HG GLU 77 2HG GLU 77 -1.115 26.892 4.308 545 H PHE 78 H PHE 78 -0.541 25.331 -0.011 546 HA PHE 78 HA PHE 78 -2.719 24.616 -1.751 547 1HB PHE 78 1HB PHE 78 0.274 24.909 -2.106 548 2HB PHE 78 2HB PHE 78 -0.974 26.060 -2.562 549 HD1 PHE 78 HD1 PHE 78 1.187 23.595 -3.793 550 HD2 PHE 78 HD2 PHE 78 -2.848 25.013 -4.207 551 HE1 PHE 78 HE1 PHE 78 1.044 22.544 -6.033 552 HE2 PHE 78 HE2 PHE 78 -2.987 23.957 -6.447 553 HZ PHE 78 HZ PHE 78 -1.041 22.724 -7.361 554 H LEU 79 H LEU 79 -0.016 22.867 -0.258 555 HA LEU 79 HA LEU 79 -0.378 20.421 -1.781 556 1HB LEU 79 1HB LEU 79 1.109 19.403 -0.142 557 2HB LEU 79 2HB LEU 79 0.871 20.759 0.956 558 HG LEU 79 HG LEU 79 1.853 22.264 -0.816 559 1HD1 LEU 79 1HD1 LEU 79 3.834 20.094 -0.187 560 2HD1 LEU 79 2HD1 LEU 79 3.118 21.034 1.122 561 3HD1 LEU 79 3HD1 LEU 79 4.049 21.844 -0.138 562 1HD2 LEU 79 1HD2 LEU 79 1.472 20.052 -2.459 563 2HD2 LEU 79 2HD2 LEU 79 3.213 20.056 -2.181 564 3HD2 LEU 79 3HD2 LEU 79 2.426 21.479 -2.864 565 H VAL 80 H VAL 80 -1.387 21.438 1.515 566 HA VAL 80 HA VAL 80 -2.778 19.024 2.160 567 HB VAL 80 HB VAL 80 -2.157 20.791 3.824 568 1HG1 VAL 80 1HG1 VAL 80 -3.729 22.718 4.078 569 2HG1 VAL 80 2HG1 VAL 80 -4.460 22.277 2.536 570 3HG1 VAL 80 3HG1 VAL 80 -2.775 22.787 2.599 571 1HG2 VAL 80 1HG2 VAL 80 -3.938 19.029 4.228 572 2HG2 VAL 80 2HG2 VAL 80 -5.138 20.253 3.815 573 3HG2 VAL 80 3HG2 VAL 80 -4.093 20.480 5.217 574 H MET 81 H MET 81 -3.730 21.882 0.333 575 HA MET 81 HA MET 81 -6.548 21.332 0.193 576 1HB MET 81 1HB MET 81 -6.250 22.669 -2.051 577 2HB MET 81 2HB MET 81 -4.606 22.924 -1.472 578 1HG MET 81 1HG MET 81 -5.771 23.647 0.754 579 2HG MET 81 2HG MET 81 -7.200 23.843 -0.256 580 1HE MET 81 1HE MET 81 -6.884 26.530 -2.440 581 2HE MET 81 2HE MET 81 -7.286 24.819 -2.302 582 3HE MET 81 3HE MET 81 -5.849 25.311 -3.195 583 H MET 82 H MET 82 -3.766 20.372 -1.816 584 HA MET 82 HA MET 82 -5.394 18.868 -3.711 585 1HB MET 82 1HB MET 82 -2.482 18.290 -3.216 586 2HB MET 82 2HB MET 82 -2.948 19.816 -3.967 587 1HG MET 82 1HG MET 82 -3.971 17.161 -4.987 588 2HG MET 82 2HG MET 82 -2.445 17.842 -5.547 589 1HE MET 82 1HE MET 82 -2.435 18.742 -7.710 590 2HE MET 82 2HE MET 82 -2.189 20.171 -6.707 591 3HE MET 82 3HE MET 82 -3.245 20.262 -8.115 592 H VAL 83 H VAL 83 -3.884 18.242 -0.620 593 HA VAL 83 HA VAL 83 -3.945 15.365 -0.712 594 HB VAL 83 HB VAL 83 -3.611 17.476 1.407 595 1HG1 VAL 83 1HG1 VAL 83 -4.197 14.545 1.861 596 2HG1 VAL 83 2HG1 VAL 83 -4.925 15.944 2.651 597 3HG1 VAL 83 3HG1 VAL 83 -3.260 15.493 3.016 598 1HG2 VAL 83 1HG2 VAL 83 -1.865 16.236 -0.243 599 2HG2 VAL 83 2HG2 VAL 83 -1.834 15.112 1.115 600 3HG2 VAL 83 3HG2 VAL 83 -1.422 16.808 1.365 601 NH1 ARG 84 NH1 ARG 84 -10.432 20.939 4.084 602 NH2 ARG 84 NH2 ARG 84 -9.621 22.880 3.237 603 H ARG 84 H ARG 84 -6.273 17.855 0.343 604 HA ARG 84 HA ARG 84 -8.119 15.838 1.418 605 1HB ARG 84 1HB ARG 84 -7.990 18.074 2.444 606 2HB ARG 84 2HB ARG 84 -9.614 17.741 1.846 607 1HG ARG 84 1HG ARG 84 -8.800 18.934 -0.329 608 2HG ARG 84 2HG ARG 84 -7.518 19.578 0.696 609 1HD ARG 84 1HD ARG 84 -10.420 19.761 1.508 610 2HD ARG 84 2HD ARG 84 -9.681 20.978 0.466 611 HE ARG 84 HE ARG 84 -7.927 20.825 2.595 612 1HH1 ARG 84 1HH1 ARG 84 -10.201 23.399 3.866 613 2HH1 ARG 84 2HH1 ARG 84 -9.020 23.362 2.599 614 1HH2 ARG 84 1HH2 ARG 84 -10.452 19.939 4.094 615 2HH2 ARG 84 2HH2 ARG 84 -11.014 21.454 4.715 616 H GLN 85 H GLN 85 -7.441 16.983 -1.714 617 HA GLN 85 HA GLN 85 -10.216 16.438 -2.655 618 1HB GLN 85 1HB GLN 85 -9.243 17.342 -4.861 619 2HB GLN 85 2HB GLN 85 -7.844 17.833 -3.906 620 1HG GLN 85 1HG GLN 85 -9.145 19.311 -2.572 621 2HG GLN 85 2HG GLN 85 -10.661 18.586 -3.108 622 1HE2 GLN 85 1HE2 GLN 85 -8.614 21.230 -3.626 623 2HE2 GLN 85 2HE2 GLN 85 -9.165 21.678 -5.166 624 H MET 86 H MET 86 -6.839 15.412 -3.076 625 HA MET 86 HA MET 86 -7.466 13.407 -5.089 626 1HB MET 86 1HB MET 86 -5.013 13.198 -3.392 627 2HB MET 86 2HB MET 86 -5.176 14.609 -4.437 628 1HG MET 86 1HG MET 86 -5.695 11.866 -5.555 629 2HG MET 86 2HG MET 86 -4.035 12.431 -5.367 630 1HE MET 86 1HE MET 86 -3.523 15.239 -6.265 631 2HE MET 86 2HE MET 86 -3.337 14.834 -7.969 632 3HE MET 86 3HE MET 86 -2.844 13.676 -6.738 633 H LYS 87 H LYS 87 -7.589 13.487 -1.606 634 HA LYS 87 HA LYS 87 -7.249 10.688 -1.086 635 1HB LYS 87 1HB LYS 87 -7.130 12.336 0.716 636 2HB LYS 87 2HB LYS 87 -8.398 11.163 1.063 637 1HG LYS 87 1HG LYS 87 -9.805 13.048 -0.333 638 2HG LYS 87 2HG LYS 87 -8.608 14.057 0.475 639 1HD LYS 87 1HD LYS 87 -9.270 13.256 2.637 640 2HD LYS 87 2HD LYS 87 -10.257 11.975 1.928 641 1HE LYS 87 1HE LYS 87 -11.745 13.681 0.937 642 2HE LYS 87 2HE LYS 87 -10.759 14.956 1.648 643 1HZ LYS 87 1HZ LYS 87 -12.185 12.846 3.175 644 2HZ LYS 87 2HZ LYS 87 -12.714 14.451 2.993 645 3HZ LYS 87 3HZ LYS 87 -11.277 14.117 3.837 646 H GLU 88 H GLU 88 -9.959 12.494 -2.341 647 HA GLU 88 HA GLU 88 -11.969 10.481 -1.719 648 1HB GLU 88 1HB GLU 88 -12.677 12.131 -3.984 649 2HB GLU 88 2HB GLU 88 -11.966 13.127 -2.714 650 1HG GLU 88 1HG GLU 88 -14.078 11.068 -2.077 651 2HG GLU 88 2HG GLU 88 -14.522 12.685 -2.622 652 H ASP 89 H ASP 89 -9.952 11.261 -4.527 653 HA ASP 89 HA ASP 89 -11.182 9.324 -6.290 654 1HB ASP 89 1HB ASP 89 -8.360 10.356 -6.553 655 2HB ASP 89 2HB ASP 89 -9.747 11.388 -6.895 656 H ALA 90 H ALA 90 -8.717 9.104 -3.806 657 HA ALA 90 HA ALA 90 -7.407 6.720 -4.741 658 1HB ALA 90 1HB ALA 90 -6.218 7.860 -3.075 659 2HB ALA 90 2HB ALA 90 -6.901 6.502 -2.182 660 3HB ALA 90 3HB ALA 90 -7.652 8.093 -2.075 661 H LYS 91 H LYS 91 -8.853 5.087 -5.312 662 HA LYS 91 HA LYS 91 -11.121 4.332 -3.666 663 1HB LYS 91 1HB LYS 91 -10.489 2.139 -5.299 664 2HB LYS 91 2HB LYS 91 -9.990 3.548 -6.233 665 1HG LYS 91 1HG LYS 91 -12.264 3.282 -6.806 666 2HG LYS 91 2HG LYS 91 -12.299 4.537 -5.567 667 1HD LYS 91 1HD LYS 91 -13.117 3.067 -3.929 668 2HD LYS 91 2HD LYS 91 -12.555 1.637 -4.793 669 1HE LYS 91 1HE LYS 91 -14.494 3.280 -6.295 670 2HE LYS 91 2HE LYS 91 -15.143 2.558 -4.823 671 1HZ LYS 91 1HZ LYS 91 -13.728 1.100 -6.991 672 2HZ LYS 91 2HZ LYS 91 -15.402 1.078 -6.707 673 3HZ LYS 91 3HZ LYS 91 -14.338 0.402 -5.569 674 H GLY 92 H GLY 92 -8.251 2.365 -4.542 675 1HA GLY 92 1HA GLY 92 -8.165 0.263 -2.980 676 2HA GLY 92 2HA GLY 92 -8.076 1.474 -1.702 677 H LYS 93 H LYS 93 -6.392 3.366 -2.998 678 HA LYS 93 HA LYS 93 -4.030 2.176 -4.108 679 1HB LYS 93 1HB LYS 93 -4.665 4.564 -4.395 680 2HB LYS 93 2HB LYS 93 -3.026 4.366 -3.801 681 1HG LYS 93 1HG LYS 93 -4.617 4.482 -1.488 682 2HG LYS 93 2HG LYS 93 -5.270 5.720 -2.557 683 1HD LYS 93 1HD LYS 93 -2.337 5.678 -2.529 684 2HD LYS 93 2HD LYS 93 -3.029 5.998 -0.940 685 1HE LYS 93 1HE LYS 93 -2.797 8.132 -1.996 686 2HE LYS 93 2HE LYS 93 -4.512 7.737 -2.085 687 1HZ LYS 93 1HZ LYS 93 -3.438 8.575 -4.191 688 2HZ LYS 93 2HZ LYS 93 -4.322 7.131 -4.329 689 3HZ LYS 93 3HZ LYS 93 -2.624 7.089 -4.274 690 H SER 94 H SER 94 -5.166 2.383 -0.840 691 HA SER 94 HA SER 94 -2.646 2.402 0.535 692 1HB SER 94 1HB SER 94 -4.991 0.915 1.656 693 2HB SER 94 2HB SER 94 -5.142 2.651 1.406 694 HG SER 94 HG SER 94 -3.759 3.029 2.942 695 H GLU 95 H GLU 95 -4.098 -0.030 -1.416 696 HA GLU 95 HA GLU 95 -3.230 -2.408 -0.102 697 1HB GLU 95 1HB GLU 95 -4.789 -2.293 -2.081 698 2HB GLU 95 2HB GLU 95 -3.522 -3.507 -2.231 699 1HG GLU 95 1HG GLU 95 -2.180 -1.920 -3.590 700 2HG GLU 95 2HG GLU 95 -3.474 -0.729 -3.460 701 H GLU 96 H GLU 96 -1.401 0.026 -1.803 702 HA GLU 96 HA GLU 96 0.834 -1.454 -2.704 703 1HB GLU 96 1HB GLU 96 2.093 0.754 -2.191 704 2HB GLU 96 2HB GLU 96 0.516 1.371 -1.696 705 1HG GLU 96 1HG GLU 96 -0.289 0.422 -4.001 706 2HG GLU 96 2HG GLU 96 1.424 0.454 -4.418 707 H GLU 97 H GLU 97 -0.067 -0.521 0.573 708 HA GLU 97 HA GLU 97 2.435 -0.794 1.882 709 1HB GLU 97 1HB GLU 97 0.125 -1.893 3.356 710 2HB GLU 97 2HB GLU 97 -0.146 -0.283 2.690 711 1HG GLU 97 1HG GLU 97 2.122 0.350 3.709 712 2HG GLU 97 2HG GLU 97 2.027 -1.170 4.599 713 H LEU 98 H LEU 98 -0.101 -3.286 1.352 714 HA LEU 98 HA LEU 98 1.550 -5.444 2.356 715 1HB LEU 98 1HB LEU 98 -0.195 -6.863 1.044 716 2HB LEU 98 2HB LEU 98 -1.013 -5.335 0.771 717 HG LEU 98 HG LEU 98 -1.701 -6.765 2.832 718 1HD1 LEU 98 1HD1 LEU 98 -0.405 -6.572 4.802 719 2HD1 LEU 98 2HD1 LEU 98 0.622 -5.320 4.105 720 3HD1 LEU 98 3HD1 LEU 98 0.760 -6.987 3.545 721 1HD2 LEU 98 1HD2 LEU 98 -0.983 -3.899 3.448 722 2HD2 LEU 98 2HD2 LEU 98 -2.411 -4.804 3.946 723 3HD2 LEU 98 3HD2 LEU 98 -2.231 -4.298 2.266 724 H ALA 99 H ALA 99 1.118 -3.939 -0.804 725 HA ALA 99 HA ALA 99 2.193 -5.989 -2.454 726 1HB ALA 99 1HB ALA 99 2.532 -4.299 -4.104 727 2HB ALA 99 2HB ALA 99 2.681 -3.035 -2.883 728 3HB ALA 99 3HB ALA 99 1.115 -3.787 -3.186 729 H ASN 100 H ASN 100 3.803 -3.563 -0.432 730 HA ASN 100 HA ASN 100 6.470 -3.981 -1.407 731 1HB ASN 100 1HB ASN 100 6.196 -3.366 1.472 732 2HB ASN 100 2HB ASN 100 5.323 -2.266 0.405 733 1HD2 ASN 100 1HD2 ASN 100 6.563 -0.723 -0.749 734 2HD2 ASN 100 2HD2 ASN 100 8.260 -0.679 -0.741 735 H CYS 101 H CYS 101 4.690 -5.396 1.362 736 HA CYS 101 HA CYS 101 6.804 -7.214 2.118 737 1HB CYS 101 1HB CYS 101 4.925 -8.416 3.331 738 2HB CYS 101 2HB CYS 101 3.819 -7.227 2.644 739 HG CYS 101 HG CYS 101 5.976 -6.630 4.798 740 H PHE 102 H PHE 102 4.061 -7.402 -0.102 741 HA PHE 102 HA PHE 102 4.087 -10.186 -0.676 742 1HB PHE 102 1HB PHE 102 3.472 -7.849 -2.518 743 2HB PHE 102 2HB PHE 102 2.320 -8.624 -1.436 744 HD1 PHE 102 HD1 PHE 102 2.112 -11.260 -1.724 745 HD2 PHE 102 HD2 PHE 102 3.594 -8.575 -4.729 746 HE1 PHE 102 HE1 PHE 102 1.585 -12.930 -3.477 747 HE2 PHE 102 HE2 PHE 102 3.070 -10.245 -6.480 748 HZ PHE 102 HZ PHE 102 2.055 -12.422 -5.855 749 NH1 ARG 103 NH1 ARG 103 12.870 -5.283 -5.148 750 NH2 ARG 103 NH2 ARG 103 11.430 -5.165 -6.894 751 H ARG 103 H ARG 103 5.968 -7.488 -2.067 752 HA ARG 103 HA ARG 103 7.359 -9.122 -4.015 753 1HB ARG 103 1HB ARG 103 8.423 -6.552 -2.832 754 2HB ARG 103 2HB ARG 103 7.085 -6.552 -3.981 755 1HG ARG 103 1HG ARG 103 8.694 -6.517 -5.581 756 2HG ARG 103 2HG ARG 103 8.921 -8.224 -5.199 757 1HD ARG 103 1HD ARG 103 10.669 -7.673 -3.592 758 2HD ARG 103 2HD ARG 103 10.378 -5.949 -3.817 759 HE ARG 103 HE ARG 103 11.527 -7.739 -5.920 760 1HH1 ARG 103 1HH1 ARG 103 13.295 -4.426 -5.438 761 2HH1 ARG 103 2HH1 ARG 103 13.208 -5.757 -4.334 762 1HH2 ARG 103 1HH2 ARG 103 10.667 -5.548 -7.416 763 2HH2 ARG 103 2HH2 ARG 103 11.853 -4.307 -7.188 764 H ILE 104 H ILE 104 8.015 -8.204 -0.648 765 HA ILE 104 HA ILE 104 10.735 -9.027 -0.489 766 HB ILE 104 HB ILE 104 8.530 -9.012 1.594 767 1HG1 ILE 104 1HG1 ILE 104 9.507 -6.866 0.467 768 2HG1 ILE 104 2HG1 ILE 104 10.939 -7.205 1.438 769 1HG2 ILE 104 1HG2 ILE 104 11.483 -9.628 1.856 770 2HG2 ILE 104 2HG2 ILE 104 10.120 -10.600 2.412 771 3HG2 ILE 104 3HG2 ILE 104 10.506 -9.080 3.219 772 1HD1 ILE 104 1HD1 ILE 104 8.668 -5.823 2.286 773 2HD1 ILE 104 2HD1 ILE 104 9.934 -6.474 3.325 774 3HD1 ILE 104 3HD1 ILE 104 8.484 -7.423 3.003 775 H PHE 105 H PHE 105 7.723 -10.914 -0.122 776 HA PHE 105 HA PHE 105 9.085 -13.379 0.567 777 1HB PHE 105 1HB PHE 105 6.835 -14.405 -0.083 778 2HB PHE 105 2HB PHE 105 6.293 -12.762 -0.426 779 HD1 PHE 105 HD1 PHE 105 7.896 -14.830 2.258 780 HD2 PHE 105 HD2 PHE 105 5.470 -11.414 1.313 781 HE1 PHE 105 HE1 PHE 105 7.463 -14.469 4.673 782 HE2 PHE 105 HE2 PHE 105 5.038 -11.052 3.727 783 HZ PHE 105 HZ PHE 105 6.034 -12.580 5.406 784 H ASP 106 H ASP 106 8.046 -11.868 -2.469 785 HA ASP 106 HA ASP 106 8.731 -14.250 -4.048 786 1HB ASP 106 1HB ASP 106 7.981 -11.423 -4.870 787 2HB ASP 106 2HB ASP 106 6.894 -12.808 -4.799 788 H LYS 107 H LYS 107 10.971 -14.420 -3.307 789 HA LYS 107 HA LYS 107 12.905 -12.317 -3.784 790 1HB LYS 107 1HB LYS 107 14.586 -14.054 -3.317 791 2HB LYS 107 2HB LYS 107 13.341 -15.297 -3.426 792 1HG LYS 107 1HG LYS 107 12.120 -14.161 -1.557 793 2HG LYS 107 2HG LYS 107 13.473 -13.039 -1.403 794 1HD LYS 107 1HD LYS 107 13.937 -16.018 -1.315 795 2HD LYS 107 2HD LYS 107 13.418 -15.152 0.131 796 1HE LYS 107 1HE LYS 107 15.710 -14.047 -1.456 797 2HE LYS 107 2HE LYS 107 16.001 -15.446 -0.424 798 1HZ LYS 107 1HZ LYS 107 16.380 -13.323 0.719 799 2HZ LYS 107 2HZ LYS 107 15.155 -14.240 1.456 800 3HZ LYS 107 3HZ LYS 107 14.753 -12.907 0.482 801 H ASN 108 H ASN 108 11.303 -14.413 -5.937 802 HA ASN 108 HA ASN 108 13.525 -14.613 -7.854 803 1HB ASN 108 1HB ASN 108 10.893 -15.258 -8.912 804 2HB ASN 108 2HB ASN 108 11.183 -16.077 -7.378 805 1HD2 ASN 108 1HD2 ASN 108 12.755 -15.485 -10.573 806 2HD2 ASN 108 2HD2 ASN 108 13.601 -16.957 -10.594 807 H ALA 109 H ALA 109 10.970 -12.401 -7.122 808 HA ALA 109 HA ALA 109 10.297 -10.416 -8.139 809 1HB ALA 109 1HB ALA 109 12.606 -10.635 -10.050 810 2HB ALA 109 2HB ALA 109 12.904 -10.325 -8.340 811 3HB ALA 109 3HB ALA 109 11.929 -9.200 -9.282 812 H ASP 110 H ASP 110 9.183 -12.876 -9.115 813 HA ASP 110 HA ASP 110 8.958 -12.452 -12.053 814 1HB ASP 110 1HB ASP 110 7.805 -14.617 -12.087 815 2HB ASP 110 2HB ASP 110 7.816 -14.676 -10.327 816 H GLY 111 H GLY 111 7.027 -12.472 -9.069 817 1HA GLY 111 1HA GLY 111 4.630 -11.588 -10.586 818 2HA GLY 111 2HA GLY 111 5.266 -10.515 -9.343 819 H PHE 112 H PHE 112 5.488 -13.985 -8.877 820 HA PHE 112 HA PHE 112 3.428 -13.746 -6.725 821 1HB PHE 112 1HB PHE 112 2.418 -15.811 -7.300 822 2HB PHE 112 2HB PHE 112 3.747 -16.259 -8.364 823 HD1 PHE 112 HD1 PHE 112 3.726 -15.661 -10.663 824 HD2 PHE 112 HD2 PHE 112 0.931 -13.846 -7.955 825 HE1 PHE 112 HE1 PHE 112 2.527 -14.645 -12.581 826 HE2 PHE 112 HE2 PHE 112 -0.268 -12.831 -9.871 827 HZ PHE 112 HZ PHE 112 0.529 -13.230 -12.185 828 H ILE 113 H ILE 113 3.753 -15.244 -4.955 829 HA ILE 113 HA ILE 113 6.602 -15.809 -4.468 830 HB ILE 113 HB ILE 113 4.106 -16.127 -2.775 831 1HG1 ILE 113 1HG1 ILE 113 6.438 -14.209 -2.849 832 2HG1 ILE 113 2HG1 ILE 113 5.480 -14.424 -1.386 833 1HG2 ILE 113 1HG2 ILE 113 5.521 -17.892 -2.029 834 2HG2 ILE 113 2HG2 ILE 113 5.817 -16.559 -0.913 835 3HG2 ILE 113 3HG2 ILE 113 6.972 -16.904 -2.200 836 1HD1 ILE 113 1HD1 ILE 113 4.288 -12.714 -2.367 837 2HD1 ILE 113 2HD1 ILE 113 3.461 -14.095 -3.087 838 3HD1 ILE 113 3HD1 ILE 113 4.694 -13.230 -4.004 839 H ASP 114 H ASP 114 7.507 -17.733 -5.005 840 HA ASP 114 HA ASP 114 5.789 -19.970 -5.841 841 1HB ASP 114 1HB ASP 114 7.773 -20.974 -6.703 842 2HB ASP 114 2HB ASP 114 8.809 -19.999 -5.664 843 H ILE 115 H ILE 115 6.048 -22.148 -4.952 844 HA ILE 115 HA ILE 115 6.021 -22.193 -2.084 845 HB ILE 115 HB ILE 115 4.877 -23.758 -3.800 846 1HG1 ILE 115 1HG1 ILE 115 4.514 -25.321 -2.111 847 2HG1 ILE 115 2HG1 ILE 115 5.036 -23.908 -1.209 848 1HG2 ILE 115 1HG2 ILE 115 7.528 -25.196 -3.506 849 2HG2 ILE 115 2HG2 ILE 115 6.924 -24.447 -4.984 850 3HG2 ILE 115 3HG2 ILE 115 6.086 -25.835 -4.291 851 1HD1 ILE 115 1HD1 ILE 115 6.605 -25.230 -0.267 852 2HD1 ILE 115 2HD1 ILE 115 7.416 -25.244 -1.832 853 3HD1 ILE 115 3HD1 ILE 115 6.289 -26.532 -1.414 854 H GLU 116 H GLU 116 8.535 -22.858 -4.478 855 HA GLU 116 HA GLU 116 10.396 -24.137 -2.698 856 1HB GLU 116 1HB GLU 116 10.661 -24.231 -5.150 857 2HB GLU 116 2HB GLU 116 12.106 -23.566 -4.390 858 1HG GLU 116 1HG GLU 116 11.598 -21.363 -5.080 859 2HG GLU 116 2HG GLU 116 9.909 -21.757 -5.399 860 H GLU 117 H GLU 117 9.835 -20.727 -3.555 861 HA GLU 117 HA GLU 117 12.051 -19.651 -2.066 862 1HB GLU 117 1HB GLU 117 10.886 -17.496 -2.279 863 2HB GLU 117 2HB GLU 117 9.406 -18.324 -2.755 864 1HG GLU 117 1HG GLU 117 10.269 -17.760 -4.841 865 2HG GLU 117 2HG GLU 117 10.968 -19.364 -4.629 866 H LEU 118 H LEU 118 8.601 -20.121 -1.250 867 HA LEU 118 HA LEU 118 8.838 -19.067 1.431 868 1HB LEU 118 1HB LEU 118 6.762 -21.029 0.423 869 2HB LEU 118 2HB LEU 118 6.695 -19.296 0.099 870 HG LEU 118 HG LEU 118 7.116 -20.091 2.938 871 1HD1 LEU 118 1HD1 LEU 118 5.526 -18.197 3.260 872 2HD1 LEU 118 2HD1 LEU 118 5.373 -18.057 1.509 873 3HD1 LEU 118 3HD1 LEU 118 6.924 -17.739 2.287 874 1HD2 LEU 118 1HD2 LEU 118 4.552 -20.590 1.402 875 2HD2 LEU 118 2HD2 LEU 118 4.574 -20.349 3.150 876 3HD2 LEU 118 3HD2 LEU 118 5.432 -21.714 2.438 877 H GLY 119 H GLY 119 8.939 -22.391 0.106 878 1HA GLY 119 1HA GLY 119 9.797 -24.361 1.050 879 2HA GLY 119 2HA GLY 119 8.976 -23.845 2.519 880 H GLU 120 H GLU 120 11.754 -22.371 0.790 881 HA GLU 120 HA GLU 120 13.713 -23.247 2.725 882 1HB GLU 120 1HB GLU 120 15.059 -21.286 1.700 883 2HB GLU 120 2HB GLU 120 13.702 -21.124 0.582 884 1HG GLU 120 1HG GLU 120 15.161 -22.588 -0.552 885 2HG GLU 120 2HG GLU 120 14.005 -23.684 0.203 886 H ILE 121 H ILE 121 11.734 -20.310 2.392 887 HA ILE 121 HA ILE 121 13.002 -18.781 4.450 888 HB ILE 121 HB ILE 121 10.153 -18.762 3.401 889 1HG1 ILE 121 1HG1 ILE 121 12.221 -18.096 1.964 890 2HG1 ILE 121 2HG1 ILE 121 12.296 -16.673 3.002 891 1HG2 ILE 121 1HG2 ILE 121 10.044 -16.488 4.490 892 2HG2 ILE 121 2HG2 ILE 121 11.542 -16.880 5.334 893 3HG2 ILE 121 3HG2 ILE 121 10.085 -17.829 5.635 894 1HD1 ILE 121 1HD1 ILE 121 9.587 -17.242 2.021 895 2HD1 ILE 121 2HD1 ILE 121 10.738 -16.915 0.726 896 3HD1 ILE 121 3HD1 ILE 121 10.491 -15.729 2.007 897 H LEU 122 H LEU 122 10.313 -21.133 4.557 898 HA LEU 122 HA LEU 122 9.792 -20.803 7.379 899 1HB LEU 122 1HB LEU 122 8.805 -23.219 7.016 900 2HB LEU 122 2HB LEU 122 9.091 -22.867 5.311 901 HG LEU 122 HG LEU 122 7.892 -20.578 5.939 902 1HD1 LEU 122 1HD1 LEU 122 6.191 -23.063 5.700 903 2HD1 LEU 122 2HD1 LEU 122 7.169 -22.476 4.355 904 3HD1 LEU 122 3HD1 LEU 122 5.889 -21.463 5.022 905 1HD2 LEU 122 1HD2 LEU 122 7.780 -21.357 8.383 906 2HD2 LEU 122 2HD2 LEU 122 6.544 -22.497 7.853 907 3HD2 LEU 122 3HD2 LEU 122 6.274 -20.762 7.686 908 NH1 ARG 123 NH1 ARG 123 13.442 -30.265 7.269 909 NH2 ARG 123 NH2 ARG 123 12.462 -29.526 9.176 910 H ARG 123 H ARG 123 11.809 -23.108 5.533 911 HA ARG 123 HA ARG 123 12.656 -24.591 7.871 912 1HB ARG 123 1HB ARG 123 14.623 -25.141 6.139 913 2HB ARG 123 2HB ARG 123 13.469 -24.451 4.999 914 1HG ARG 123 1HG ARG 123 12.956 -26.770 5.042 915 2HG ARG 123 2HG ARG 123 11.735 -26.028 6.076 916 1HD ARG 123 1HD ARG 123 13.240 -26.535 8.050 917 2HD ARG 123 2HD ARG 123 14.257 -27.466 6.949 918 HE ARG 123 HE ARG 123 11.432 -28.251 6.914 919 1HH1 ARG 123 1HH1 ARG 123 13.756 -31.086 7.745 920 2HH1 ARG 123 2HH1 ARG 123 13.660 -30.135 6.300 921 1HH2 ARG 123 1HH2 ARG 123 11.931 -28.833 9.665 922 2HH2 ARG 123 2HH2 ARG 123 12.774 -30.346 9.656 923 H ALA 124 H ALA 124 13.971 -21.803 6.107 924 HA ALA 124 HA ALA 124 16.529 -21.679 7.339 925 1HB ALA 124 1HB ALA 124 14.748 -19.500 6.227 926 2HB ALA 124 2HB ALA 124 16.078 -20.322 5.411 927 3HB ALA 124 3HB ALA 124 16.409 -19.224 6.749 928 H THR 125 H THR 125 13.374 -20.699 8.602 929 HA THR 125 HA THR 125 14.319 -18.929 10.647 930 HB THR 125 HB THR 125 12.154 -19.320 11.749 931 HG1 THR 125 HG1 THR 125 11.020 -21.049 11.351 932 1HG2 THR 125 1HG2 THR 125 11.298 -19.371 8.922 933 2HG2 THR 125 2HG2 THR 125 12.541 -18.179 9.302 934 3HG2 THR 125 3HG2 THR 125 11.006 -18.157 10.167 935 H GLY 126 H GLY 126 13.973 -22.463 10.559 936 1HA GLY 126 1HA GLY 126 15.685 -22.620 12.971 937 2HA GLY 126 2HA GLY 126 15.327 -23.950 11.875 938 H GLU 127 H GLU 127 12.394 -22.487 12.433 939 HA GLU 127 HA GLU 127 11.774 -23.480 15.081 940 1HB GLU 127 1HB GLU 127 9.449 -23.236 13.364 941 2HB GLU 127 2HB GLU 127 10.512 -21.842 13.167 942 1HG GLU 127 1HG GLU 127 10.255 -21.167 15.359 943 2HG GLU 127 2HG GLU 127 9.979 -22.807 15.946 944 H HIS 128 H HIS 128 9.944 -25.146 15.363 945 HA HIS 128 HA HIS 128 10.690 -27.566 13.850 946 1HB HIS 128 1HB HIS 128 9.061 -28.662 15.487 947 2HB HIS 128 2HB HIS 128 8.914 -27.082 16.256 948 HD1 HIS 128 HD1 HIS 128 11.428 -29.820 15.579 949 HD2 HIS 128 HD2 HIS 128 11.133 -26.313 17.814 950 HE1 HIS 128 HE1 HIS 128 13.446 -29.773 17.107 951 H VAL 129 H VAL 129 9.706 -26.525 11.834 952 HA VAL 129 HA VAL 129 6.736 -26.799 11.786 953 HB VAL 129 HB VAL 129 7.484 -24.666 10.949 954 1HG1 VAL 129 1HG1 VAL 129 8.963 -24.591 8.891 955 2HG1 VAL 129 2HG1 VAL 129 9.298 -26.301 9.161 956 3HG1 VAL 129 3HG1 VAL 129 9.777 -25.108 10.368 957 1HG2 VAL 129 1HG2 VAL 129 6.512 -24.696 8.718 958 2HG2 VAL 129 2HG2 VAL 129 5.616 -25.806 9.755 959 3HG2 VAL 129 3HG2 VAL 129 6.784 -26.434 8.593 960 H ILE 130 H ILE 130 5.744 -28.102 10.211 961 HA ILE 130 HA ILE 130 7.525 -30.219 9.083 962 HB ILE 130 HB ILE 130 5.093 -31.330 8.833 963 1HG1 ILE 130 1HG1 ILE 130 4.126 -29.182 9.925 964 2HG1 ILE 130 2HG1 ILE 130 4.781 -29.824 11.430 965 1HG2 ILE 130 1HG2 ILE 130 6.834 -31.225 11.308 966 2HG2 ILE 130 2HG2 ILE 130 6.915 -32.396 9.992 967 3HG2 ILE 130 3HG2 ILE 130 5.531 -32.393 11.085 968 1HD1 ILE 130 1HD1 ILE 130 2.823 -31.232 9.587 969 2HD1 ILE 130 2HD1 ILE 130 2.442 -30.526 11.158 970 3HD1 ILE 130 3HD1 ILE 130 3.509 -31.927 11.055 971 H GLU 131 H GLU 131 7.415 -30.715 6.891 972 HA GLU 131 HA GLU 131 6.427 -28.699 5.091 973 1HB GLU 131 1HB GLU 131 8.335 -30.188 4.531 974 2HB GLU 131 2HB GLU 131 7.068 -30.276 3.318 975 1HG GLU 131 1HG GLU 131 6.641 -32.223 5.446 976 2HG GLU 131 2HG GLU 131 8.210 -32.437 4.676 977 H GLU 132 H GLU 132 5.046 -31.609 6.467 978 HA GLU 132 HA GLU 132 2.893 -31.974 4.604 979 1HB GLU 132 1HB GLU 132 1.810 -33.231 6.456 980 2HB GLU 132 2HB GLU 132 3.038 -32.625 7.568 981 1HG GLU 132 1HG GLU 132 3.925 -34.705 6.979 982 2HG GLU 132 2HG GLU 132 4.718 -33.647 5.812 983 H ASP 133 H ASP 133 3.355 -29.873 7.425 984 HA ASP 133 HA ASP 133 0.567 -28.954 7.412 985 1HB ASP 133 1HB ASP 133 2.955 -27.693 8.793 986 2HB ASP 133 2HB ASP 133 2.018 -29.018 9.481 987 H ILE 134 H ILE 134 3.721 -27.744 6.281 988 HA ILE 134 HA ILE 134 2.804 -25.159 5.426 989 HB ILE 134 HB ILE 134 5.085 -26.830 4.309 990 1HG1 ILE 134 1HG1 ILE 134 5.030 -26.267 6.847 991 2HG1 ILE 134 2HG1 ILE 134 5.307 -24.603 6.337 992 1HG2 ILE 134 1HG2 ILE 134 5.998 -24.580 3.678 993 2HG2 ILE 134 2HG2 ILE 134 4.466 -23.862 4.173 994 3HG2 ILE 134 3HG2 ILE 134 4.514 -24.992 2.819 995 1HD1 ILE 134 1HD1 ILE 134 7.457 -25.031 5.670 996 2HD1 ILE 134 2HD1 ILE 134 7.063 -26.650 5.093 997 3HD1 ILE 134 3HD1 ILE 134 7.315 -26.365 6.815 998 H GLU 135 H GLU 135 3.311 -28.201 3.598 999 HA GLU 135 HA GLU 135 2.313 -27.236 1.100 1000 1HB GLU 135 1HB GLU 135 1.997 -30.100 1.992 1001 2HB GLU 135 2HB GLU 135 3.594 -29.433 1.658 1002 1HG GLU 135 1HG GLU 135 2.793 -28.752 -0.607 1003 2HG GLU 135 2HG GLU 135 1.247 -29.528 -0.263 1004 H ASP 136 H ASP 136 0.635 -29.144 3.638 1005 HA ASP 136 HA ASP 136 -1.922 -29.199 2.408 1006 1HB ASP 136 1HB ASP 136 -1.484 -29.047 5.395 1007 2HB ASP 136 2HB ASP 136 -1.119 -30.499 4.463 1008 H LEU 137 H LEU 137 -0.426 -26.718 4.477 1009 HA LEU 137 HA LEU 137 -2.741 -25.127 4.946 1010 1HB LEU 137 1HB LEU 137 0.072 -24.078 4.530 1011 2HB LEU 137 2HB LEU 137 -0.456 -24.857 6.020 1012 HG LEU 137 HG LEU 137 -1.923 -22.491 4.836 1013 1HD1 LEU 137 1HD1 LEU 137 -3.247 -23.641 6.452 1014 2HD1 LEU 137 2HD1 LEU 137 -2.542 -22.277 7.319 1015 3HD1 LEU 137 3HD1 LEU 137 -1.864 -23.894 7.517 1016 1HD2 LEU 137 1HD2 LEU 137 0.491 -21.950 5.313 1017 2HD2 LEU 137 2HD2 LEU 137 0.215 -22.429 6.988 1018 3HD2 LEU 137 3HD2 LEU 137 -0.648 -21.047 6.312 1019 H MET 138 H MET 138 -0.431 -25.143 2.231 1020 HA MET 138 HA MET 138 -1.634 -22.910 0.845 1021 1HB MET 138 1HB MET 138 -0.173 -25.077 -0.626 1022 2HB MET 138 2HB MET 138 0.716 -24.095 0.538 1023 1HG MET 138 1HG MET 138 0.247 -22.087 -0.642 1024 2HG MET 138 2HG MET 138 -1.023 -22.850 -1.596 1025 1HE MET 138 1HE MET 138 1.371 -21.051 -2.183 1026 2HE MET 138 2HE MET 138 0.729 -21.494 -3.762 1027 3HE MET 138 3HE MET 138 2.450 -21.688 -3.432 1028 H LYS 139 H LYS 139 -2.364 -26.348 1.003 1029 HA LYS 139 HA LYS 139 -3.870 -26.602 -1.416 1030 1HB LYS 139 1HB LYS 139 -4.871 -28.575 -0.402 1031 2HB LYS 139 2HB LYS 139 -4.397 -28.037 1.207 1032 1HG LYS 139 1HG LYS 139 -2.855 -29.768 0.377 1033 2HG LYS 139 2HG LYS 139 -2.013 -28.234 0.567 1034 1HD LYS 139 1HD LYS 139 -1.582 -28.085 -1.656 1035 2HD LYS 139 2HD LYS 139 -3.226 -28.555 -2.089 1036 1HE LYS 139 1HE LYS 139 -1.333 -30.620 -0.992 1037 2HE LYS 139 2HE LYS 139 -1.210 -30.145 -2.686 1038 1HZ LYS 139 1HZ LYS 139 -3.699 -31.092 -1.371 1039 2HZ LYS 139 2HZ LYS 139 -2.690 -32.051 -2.343 1040 3HZ LYS 139 3HZ LYS 139 -3.507 -30.722 -3.015 1041 H ASP 140 H ASP 140 -4.827 -25.561 1.854 1042 HA ASP 140 HA ASP 140 -7.629 -25.176 1.063 1043 1HB ASP 140 1HB ASP 140 -6.394 -24.076 3.583 1044 2HB ASP 140 2HB ASP 140 -6.680 -25.808 3.419 1045 H SER 141 H SER 141 -4.717 -23.220 1.370 1046 HA SER 141 HA SER 141 -6.141 -20.672 1.198 1047 1HB SER 141 1HB SER 141 -3.684 -19.881 0.716 1048 2HB SER 141 2HB SER 141 -3.260 -21.517 1.212 1049 HG SER 141 HG SER 141 -3.731 -21.060 3.197 1050 H ASP 142 H ASP 142 -5.099 -23.033 -1.110 1051 HA ASP 142 HA ASP 142 -4.777 -21.107 -3.303 1052 1HB ASP 142 1HB ASP 142 -5.116 -23.704 -4.351 1053 2HB ASP 142 2HB ASP 142 -4.228 -23.917 -2.848 1054 H LYS 143 H LYS 143 -6.776 -20.046 -3.520 1055 HA LYS 143 HA LYS 143 -9.309 -21.474 -3.592 1056 1HB LYS 143 1HB LYS 143 -10.186 -19.267 -4.460 1057 2HB LYS 143 2HB LYS 143 -8.532 -18.661 -4.412 1058 1HG LYS 143 1HG LYS 143 -8.927 -19.841 -1.899 1059 2HG LYS 143 2HG LYS 143 -10.437 -18.996 -2.235 1060 1HD LYS 143 1HD LYS 143 -7.816 -17.616 -2.752 1061 2HD LYS 143 2HD LYS 143 -8.445 -17.699 -1.107 1062 1HE LYS 143 1HE LYS 143 -9.539 -15.786 -1.727 1063 2HE LYS 143 2HE LYS 143 -10.685 -16.923 -2.435 1064 1HZ LYS 143 1HZ LYS 143 -9.863 -15.106 -3.939 1065 2HZ LYS 143 2HZ LYS 143 -9.704 -16.685 -4.545 1066 3HZ LYS 143 3HZ LYS 143 -8.348 -15.870 -3.924 1067 H ASN 144 H ASN 144 -7.100 -20.161 -6.062 1068 HA ASN 144 HA ASN 144 -8.844 -21.209 -8.219 1069 1HB ASN 144 1HB ASN 144 -6.934 -20.186 -9.657 1070 2HB ASN 144 2HB ASN 144 -6.396 -19.448 -8.149 1071 1HD2 ASN 144 1HD2 ASN 144 -8.060 -18.588 -10.802 1072 2HD2 ASN 144 2HD2 ASN 144 -9.236 -17.566 -10.129 1073 H ASN 145 H ASN 145 -6.039 -22.115 -6.403 1074 HA ASN 145 HA ASN 145 -4.693 -24.007 -6.492 1075 1HB ASN 145 1HB ASN 145 -6.297 -25.177 -8.737 1076 2HB ASN 145 2HB ASN 145 -7.074 -24.978 -7.167 1077 1HD2 ASN 145 1HD2 ASN 145 -7.109 -27.368 -6.925 1078 2HD2 ASN 145 2HD2 ASN 145 -5.692 -28.207 -6.517 1079 H ASP 146 H ASP 146 -3.233 -22.299 -7.499 1080 HA ASP 146 HA ASP 146 -2.639 -22.933 -10.361 1081 1HB ASP 146 1HB ASP 146 -1.516 -20.560 -8.885 1082 2HB ASP 146 2HB ASP 146 -3.155 -20.504 -9.535 1083 H GLY 147 H GLY 147 -1.158 -22.448 -7.151 1084 1HA GLY 147 1HA GLY 147 1.302 -23.807 -8.174 1085 2HA GLY 147 2HA GLY 147 0.567 -24.275 -6.640 1086 NH1 ARG 148 NH1 ARG 148 4.074 -23.069 -11.295 1087 NH2 ARG 148 NH2 ARG 148 4.191 -21.028 -12.277 1088 H ARG 148 H ARG 148 0.771 -20.926 -7.782 1089 HA ARG 148 HA ARG 148 2.870 -20.392 -5.727 1090 1HB ARG 148 1HB ARG 148 3.141 -18.229 -7.054 1091 2HB ARG 148 2HB ARG 148 2.090 -18.952 -8.270 1092 1HG ARG 148 1HG ARG 148 4.509 -20.425 -7.249 1093 2HG ARG 148 2HG ARG 148 4.660 -19.231 -8.536 1094 1HD ARG 148 1HD ARG 148 2.634 -20.577 -9.583 1095 2HD ARG 148 2HD ARG 148 3.242 -21.872 -8.553 1096 HE ARG 148 HE ARG 148 5.514 -21.025 -9.843 1097 1HH1 ARG 148 1HH1 ARG 148 3.962 -21.437 -13.160 1098 2HH1 ARG 148 2HH1 ARG 148 4.349 -20.042 -12.210 1099 1HH2 ARG 148 1HH2 ARG 148 4.143 -23.642 -10.477 1100 2HH2 ARG 148 2HH2 ARG 148 3.845 -23.483 -12.176 1101 H ILE 149 H ILE 149 2.673 -18.116 -4.791 1102 HA ILE 149 HA ILE 149 -0.167 -17.648 -3.988 1103 HB ILE 149 HB ILE 149 2.406 -16.665 -2.707 1104 1HG1 ILE 149 1HG1 ILE 149 1.727 -19.218 -2.680 1105 2HG1 ILE 149 2HG1 ILE 149 0.546 -18.684 -1.485 1106 1HG2 ILE 149 1HG2 ILE 149 0.909 -16.071 -0.816 1107 2HG2 ILE 149 2HG2 ILE 149 -0.483 -16.558 -1.784 1108 3HG2 ILE 149 3HG2 ILE 149 0.499 -15.180 -2.282 1109 1HD1 ILE 149 1HD1 ILE 149 2.423 -17.603 -0.213 1110 2HD1 ILE 149 2HD1 ILE 149 3.554 -18.318 -1.362 1111 3HD1 ILE 149 3HD1 ILE 149 2.576 -19.357 -0.326 1112 H ASP 150 H ASP 150 -1.165 -15.809 -4.727 1113 HA ASP 150 HA ASP 150 0.557 -13.795 -6.105 1114 1HB ASP 150 1HB ASP 150 -1.010 -14.530 -7.691 1115 2HB ASP 150 2HB ASP 150 -1.745 -13.056 -7.074 1116 H PHE 151 H PHE 151 -0.593 -11.529 -6.082 1117 HA PHE 151 HA PHE 151 -0.497 -10.517 -3.416 1118 1HB PHE 151 1HB PHE 151 -1.793 -9.278 -5.865 1119 2HB PHE 151 2HB PHE 151 -0.086 -9.149 -5.449 1120 HD1 PHE 151 HD1 PHE 151 -3.238 -7.597 -5.163 1121 HD2 PHE 151 HD2 PHE 151 0.391 -8.286 -2.969 1122 HE1 PHE 151 HE1 PHE 151 -3.743 -5.650 -3.716 1123 HE2 PHE 151 HE2 PHE 151 -0.117 -6.338 -1.521 1124 HZ PHE 151 HZ PHE 151 -2.186 -5.019 -1.900 1125 H ASP 152 H ASP 152 -3.155 -11.798 -5.330 1126 HA ASP 152 HA ASP 152 -5.353 -10.703 -3.863 1127 1HB ASP 152 1HB ASP 152 -6.666 -12.556 -4.771 1128 2HB ASP 152 2HB ASP 152 -5.199 -13.435 -5.178 1129 H GLU 153 H GLU 153 -3.882 -13.955 -3.565 1130 HA GLU 153 HA GLU 153 -5.199 -14.584 -1.086 1131 1HB GLU 153 1HB GLU 153 -2.576 -15.862 -1.646 1132 2HB GLU 153 2HB GLU 153 -3.801 -16.046 -2.899 1133 1HG GLU 153 1HG GLU 153 -4.384 -17.844 -1.583 1134 2HG GLU 153 2HG GLU 153 -5.329 -16.604 -0.760 1135 H PHE 154 H PHE 154 -2.196 -12.902 -1.850 1136 HA PHE 154 HA PHE 154 -0.846 -13.065 0.625 1137 1HB PHE 154 1HB PHE 154 -1.019 -10.636 -1.187 1138 2HB PHE 154 2HB PHE 154 0.072 -11.998 -1.437 1139 HD1 PHE 154 HD1 PHE 154 -0.420 -8.862 0.253 1140 HD2 PHE 154 HD2 PHE 154 1.706 -12.587 0.468 1141 HE1 PHE 154 HE1 PHE 154 1.205 -7.847 1.826 1142 HE2 PHE 154 HE2 PHE 154 3.328 -11.568 2.038 1143 HZ PHE 154 HZ PHE 154 3.079 -9.200 2.717 1144 H LEU 155 H LEU 155 -3.666 -11.134 -0.274 1145 HA LEU 155 HA LEU 155 -3.663 -9.256 1.853 1146 1HB LEU 155 1HB LEU 155 -6.112 -9.119 1.493 1147 2HB LEU 155 2HB LEU 155 -6.041 -10.580 0.508 1148 HG LEU 155 HG LEU 155 -4.280 -9.295 -0.895 1149 1HD1 LEU 155 1HD1 LEU 155 -5.982 -8.486 -2.337 1150 2HD1 LEU 155 2HD1 LEU 155 -7.070 -8.142 -0.992 1151 3HD1 LEU 155 3HD1 LEU 155 -6.739 -9.812 -1.455 1152 1HD2 LEU 155 1HD2 LEU 155 -5.578 -7.048 0.675 1153 2HD2 LEU 155 2HD2 LEU 155 -4.689 -6.796 -0.826 1154 3HD2 LEU 155 3HD2 LEU 155 -3.859 -7.435 0.593 1155 H LYS 156 H LYS 156 -5.599 -12.292 1.736 1156 HA LYS 156 HA LYS 156 -6.107 -12.213 4.593 1157 1HB LYS 156 1HB LYS 156 -7.690 -13.355 3.147 1158 2HB LYS 156 2HB LYS 156 -7.000 -14.524 4.269 1159 1HG LYS 156 1HG LYS 156 -6.419 -15.781 2.493 1160 2HG LYS 156 2HG LYS 156 -5.275 -14.519 2.039 1161 1HD LYS 156 1HD LYS 156 -6.546 -13.915 0.274 1162 2HD LYS 156 2HD LYS 156 -7.980 -13.775 1.289 1163 1HE LYS 156 1HE LYS 156 -6.972 -16.502 0.520 1164 2HE LYS 156 2HE LYS 156 -7.915 -15.567 -0.640 1165 1HZ LYS 156 1HZ LYS 156 -9.602 -15.287 1.158 1166 2HZ LYS 156 2HZ LYS 156 -8.732 -16.417 2.081 1167 3HZ LYS 156 3HZ LYS 156 -9.424 -16.879 0.601 1168 H MET 157 H MET 157 -3.515 -13.499 2.641 1169 HA MET 157 HA MET 157 -2.518 -15.458 4.490 1170 1HB MET 157 1HB MET 157 -0.392 -14.183 2.994 1171 2HB MET 157 2HB MET 157 -1.781 -14.471 1.951 1172 1HG MET 157 1HG MET 157 -0.952 -16.576 1.769 1173 2HG MET 157 2HG MET 157 -1.649 -16.823 3.369 1174 1HE MET 157 1HE MET 157 2.200 -15.068 2.252 1175 2HE MET 157 2HE MET 157 0.977 -15.786 1.206 1176 3HE MET 157 3HE MET 157 2.350 -16.754 1.737 1177 H MET 158 H MET 158 -2.233 -11.952 4.377 1178 HA MET 158 HA MET 158 -0.325 -12.079 6.672 1179 1HB MET 158 1HB MET 158 -0.743 -9.495 5.262 1180 2HB MET 158 2HB MET 158 0.072 -10.757 4.337 1181 1HG MET 158 1HG MET 158 1.933 -10.705 5.664 1182 2HG MET 158 2HG MET 158 1.000 -10.428 7.135 1183 1HE MET 158 1HE MET 158 3.533 -9.344 6.895 1184 2HE MET 158 2HE MET 158 3.720 -7.615 6.613 1185 3HE MET 158 3HE MET 158 3.762 -8.731 5.250 1186 H GLU 159 H GLU 159 -3.186 -12.443 6.963 1187 HA GLU 159 HA GLU 159 -4.527 -10.033 7.754 1188 1HB GLU 159 1HB GLU 159 -5.216 -12.479 9.266 1189 2HB GLU 159 2HB GLU 159 -5.259 -12.669 7.516 1190 1HG GLU 159 1HG GLU 159 -7.430 -11.918 8.001 1191 2HG GLU 159 2HG GLU 159 -6.604 -10.426 7.551 1192 H GLY 160 H GLY 160 -2.308 -12.206 9.450 1193 1HA GLY 160 1HA GLY 160 -1.714 -12.174 11.786 1194 2HA GLY 160 2HA GLY 160 -2.679 -10.712 11.989 1195 H VAL 161 H VAL 161 -1.781 -8.699 11.026 1196 HA VAL 161 HA VAL 161 1.141 -8.774 10.487 1197 HB VAL 161 HB VAL 161 -0.379 -7.604 8.888 1198 1HG1 VAL 161 1HG1 VAL 161 -1.619 -6.627 11.161 1199 2HG1 VAL 161 2HG1 VAL 161 -1.874 -6.029 9.521 1200 3HG1 VAL 161 3HG1 VAL 161 -0.712 -5.230 10.579 1201 1HG2 VAL 161 1HG2 VAL 161 0.955 -5.243 9.389 1202 2HG2 VAL 161 2HG2 VAL 161 1.627 -6.616 8.513 1203 3HG2 VAL 161 3HG2 VAL 161 1.957 -6.424 10.234 1204 H GLN 162 H GLN 162 0.956 -9.323 13.033 1205 HA GLN 162 HA GLN 162 0.968 -6.810 14.621 1206 1HB GLN 162 1HB GLN 162 -0.290 -8.645 15.610 1207 2HB GLN 162 2HB GLN 162 1.142 -8.343 16.591 1208 1HG GLN 162 1HG GLN 162 1.997 -10.209 14.687 1209 2HG GLN 162 2HG GLN 162 0.378 -10.748 15.127 1210 1HE2 GLN 162 1HE2 GLN 162 3.536 -9.810 16.578 1211 2HE2 GLN 162 2HE2 GLN 162 3.338 -10.743 17.983 Start of MODEL 16 Raw file had 1211 H/Q atoms Start of MODEL 16 1 1H ALA 1 1H ALA 1 7.228 31.869 8.985 2 2H ALA 1 2H ALA 1 7.134 30.392 8.150 3 3H ALA 1 3H ALA 1 6.973 30.427 9.841 4 HA ALA 1 HA ALA 1 4.926 31.723 9.626 5 1HB ALA 1 1HB ALA 1 4.573 32.783 7.669 6 2HB ALA 1 2HB ALA 1 4.266 31.213 6.928 7 3HB ALA 1 3HB ALA 1 5.892 31.896 6.904 8 H SER 2 H SER 2 3.033 30.488 9.830 9 HA SER 2 HA SER 2 3.369 27.572 9.286 10 1HB SER 2 1HB SER 2 2.969 27.992 11.618 11 2HB SER 2 2HB SER 2 1.469 27.348 10.958 12 HG SER 2 HG SER 2 0.509 29.196 11.242 13 H MET 3 H MET 3 2.793 28.634 6.985 14 HA MET 3 HA MET 3 -0.182 28.516 6.664 15 1HB MET 3 1HB MET 3 0.776 30.686 6.001 16 2HB MET 3 2HB MET 3 0.134 29.835 4.598 17 1HG MET 3 1HG MET 3 2.898 29.091 5.028 18 2HG MET 3 2HG MET 3 2.753 30.844 4.934 19 1HE MET 3 1HE MET 3 2.626 27.464 3.009 20 2HE MET 3 2HE MET 3 4.064 28.471 3.157 21 3HE MET 3 3HE MET 3 3.329 28.221 1.575 22 H THR 4 H THR 4 2.045 26.331 6.600 23 HA THR 4 HA THR 4 1.654 25.324 3.829 24 HB THR 4 HB THR 4 3.270 23.513 4.638 25 HG1 THR 4 HG1 THR 4 3.350 23.571 6.755 26 1HG2 THR 4 1HG2 THR 4 4.052 26.433 4.584 27 2HG2 THR 4 2HG2 THR 4 4.117 25.272 3.259 28 3HG2 THR 4 3HG2 THR 4 5.233 25.124 4.615 29 H ASP 5 H ASP 5 -0.715 25.069 4.482 30 HA ASP 5 HA ASP 5 -1.211 22.654 6.147 31 1HB ASP 5 1HB ASP 5 -3.292 24.415 4.828 32 2HB ASP 5 2HB ASP 5 -2.578 24.814 6.390 33 H GLN 6 H GLN 6 -2.061 23.964 2.928 34 HA GLN 6 HA GLN 6 -3.070 21.451 1.917 35 1HB GLN 6 1HB GLN 6 -3.067 22.558 -0.260 36 2HB GLN 6 2HB GLN 6 -2.015 23.831 0.353 37 1HG GLN 6 1HG GLN 6 -4.353 23.541 2.049 38 2HG GLN 6 2HG GLN 6 -4.837 23.800 0.375 39 1HE2 GLN 6 1HE2 GLN 6 -5.305 26.026 0.249 40 2HE2 GLN 6 2HE2 GLN 6 -4.268 27.257 0.788 41 H GLN 7 H GLN 7 0.080 23.111 1.733 42 HA GLN 7 HA GLN 7 1.306 21.169 -0.024 43 1HB GLN 7 1HB GLN 7 3.464 22.204 0.929 44 2HB GLN 7 2HB GLN 7 2.406 23.280 1.840 45 1HG GLN 7 1HG GLN 7 1.641 23.088 -0.979 46 2HG GLN 7 2HG GLN 7 3.289 23.682 -0.771 47 1HE2 GLN 7 1HE2 GLN 7 0.264 24.865 -1.165 48 2HE2 GLN 7 2HE2 GLN 7 0.352 26.269 -0.215 49 H ALA 8 H ALA 8 1.221 21.562 3.528 50 HA ALA 8 HA ALA 8 2.994 19.371 4.102 51 1HB ALA 8 1HB ALA 8 0.776 20.581 5.777 52 2HB ALA 8 2HB ALA 8 2.476 21.054 5.792 53 3HB ALA 8 3HB ALA 8 1.998 19.461 6.380 54 H GLU 9 H GLU 9 -0.196 19.346 2.852 55 HA GLU 9 HA GLU 9 -0.760 16.636 3.937 56 1HB GLU 9 1HB GLU 9 -2.984 17.004 2.714 57 2HB GLU 9 2HB GLU 9 -2.446 18.662 2.443 58 1HG GLU 9 1HG GLU 9 -2.128 18.899 4.922 59 2HG GLU 9 2HG GLU 9 -2.821 17.290 5.125 60 H ALA 10 H ALA 10 -0.607 18.368 0.806 61 HA ALA 10 HA ALA 10 -0.749 15.994 -0.812 62 1HB ALA 10 1HB ALA 10 -1.181 18.008 -1.967 63 2HB ALA 10 2HB ALA 10 0.426 17.551 -2.529 64 3HB ALA 10 3HB ALA 10 0.244 18.802 -1.300 65 NH1 ARG 11 NH1 ARG 11 8.139 17.882 -1.634 66 NH2 ARG 11 NH2 ARG 11 9.487 17.131 0.030 67 H ARG 11 H ARG 11 1.826 17.524 0.989 68 HA ARG 11 HA ARG 11 4.055 16.303 -0.395 69 1HB ARG 11 1HB ARG 11 5.029 16.663 2.104 70 2HB ARG 11 2HB ARG 11 3.635 17.739 2.182 71 1HG ARG 11 1HG ARG 11 4.721 19.280 0.947 72 2HG ARG 11 2HG ARG 11 4.979 18.103 -0.343 73 1HD ARG 11 1HD ARG 11 6.693 18.042 2.133 74 2HD ARG 11 2HD ARG 11 7.060 19.172 0.830 75 HE ARG 11 HE ARG 11 6.881 16.221 0.354 76 1HH1 ARG 11 1HH1 ARG 11 8.941 18.074 -2.200 77 2HH1 ARG 11 2HH1 ARG 11 7.222 18.073 -1.986 78 1HH2 ARG 11 1HH2 ARG 11 9.600 16.748 0.947 79 2HH2 ARG 11 2HH2 ARG 11 10.292 17.321 -0.532 80 H ALA 12 H ALA 12 2.132 15.408 2.478 81 HA ALA 12 HA ALA 12 3.592 12.965 2.997 82 1HB ALA 12 1HB ALA 12 1.990 14.320 4.560 83 2HB ALA 12 2HB ALA 12 2.003 12.560 4.674 84 3HB ALA 12 3HB ALA 12 0.715 13.376 3.788 85 H PHE 13 H PHE 13 1.062 13.836 0.747 86 HA PHE 13 HA PHE 13 -0.012 11.182 0.343 87 1HB PHE 13 1HB PHE 13 0.061 13.451 -1.669 88 2HB PHE 13 2HB PHE 13 -1.127 13.339 -0.371 89 HD1 PHE 13 HD1 PHE 13 -2.626 11.278 -0.254 90 HD2 PHE 13 HD2 PHE 13 -0.182 12.187 -3.668 91 HE1 PHE 13 HE1 PHE 13 -3.989 9.737 -1.642 92 HE2 PHE 13 HE2 PHE 13 -1.545 10.648 -5.054 93 HZ PHE 13 HZ PHE 13 -3.448 9.423 -4.041 94 H LEU 14 H LEU 14 2.363 13.107 -1.550 95 HA LEU 14 HA LEU 14 3.289 10.530 -2.757 96 1HB LEU 14 1HB LEU 14 2.571 11.952 -4.532 97 2HB LEU 14 2HB LEU 14 4.334 12.048 -4.525 98 HG LEU 14 HG LEU 14 3.584 14.070 -2.772 99 1HD1 LEU 14 1HD1 LEU 14 5.039 13.764 -5.120 100 2HD1 LEU 14 2HD1 LEU 14 4.904 15.247 -4.177 101 3HD1 LEU 14 3HD1 LEU 14 3.824 14.967 -5.542 102 1HD2 LEU 14 1HD2 LEU 14 1.225 13.774 -3.516 103 2HD2 LEU 14 2HD2 LEU 14 1.731 14.089 -5.175 104 3HD2 LEU 14 3HD2 LEU 14 1.868 15.355 -3.955 105 H SER 15 H SER 15 5.240 9.824 -2.132 106 HA SER 15 HA SER 15 6.978 11.531 -0.482 107 1HB SER 15 1HB SER 15 8.390 9.474 -0.340 108 2HB SER 15 2HB SER 15 7.295 8.675 -1.466 109 HG SER 15 HG SER 15 6.197 8.183 0.237 110 H GLU 16 H GLU 16 9.527 10.946 -1.203 111 HA GLU 16 HA GLU 16 10.010 12.586 -3.486 112 1HB GLU 16 1HB GLU 16 12.359 11.545 -3.352 113 2HB GLU 16 2HB GLU 16 11.748 10.630 -1.973 114 1HG GLU 16 1HG GLU 16 11.255 12.652 -0.757 115 2HG GLU 16 2HG GLU 16 11.564 13.650 -2.179 116 H GLU 17 H GLU 17 9.427 9.134 -3.215 117 HA GLU 17 HA GLU 17 10.530 8.311 -5.729 118 1HB GLU 17 1HB GLU 17 8.052 7.061 -4.557 119 2HB GLU 17 2HB GLU 17 9.600 6.889 -3.733 120 1HG GLU 17 1HG GLU 17 9.646 5.022 -5.115 121 2HG GLU 17 2HG GLU 17 10.443 6.206 -6.150 122 H MET 18 H MET 18 7.175 9.205 -4.828 123 HA MET 18 HA MET 18 6.178 9.127 -7.535 124 1HB MET 18 1HB MET 18 4.781 11.007 -5.809 125 2HB MET 18 2HB MET 18 5.071 9.475 -4.989 126 1HG MET 18 1HG MET 18 3.918 9.636 -7.782 127 2HG MET 18 2HG MET 18 2.907 9.617 -6.338 128 1HE MET 18 1HE MET 18 2.685 6.534 -8.418 129 2HE MET 18 2HE MET 18 4.379 6.665 -8.884 130 3HE MET 18 3HE MET 18 3.354 8.097 -8.905 131 H ILE 19 H ILE 19 7.305 11.758 -5.422 132 HA ILE 19 HA ILE 19 6.844 13.997 -7.035 133 HB ILE 19 HB ILE 19 9.224 13.371 -5.260 134 1HG1 ILE 19 1HG1 ILE 19 6.820 13.573 -4.339 135 2HG1 ILE 19 2HG1 ILE 19 6.932 15.279 -4.766 136 1HG2 ILE 19 1HG2 ILE 19 9.999 15.086 -6.732 137 2HG2 ILE 19 2HG2 ILE 19 9.471 15.924 -5.274 138 3HG2 ILE 19 3HG2 ILE 19 8.442 15.913 -6.706 139 1HD1 ILE 19 1HD1 ILE 19 9.277 14.988 -3.451 140 2HD1 ILE 19 2HD1 ILE 19 8.320 13.763 -2.618 141 3HD1 ILE 19 3HD1 ILE 19 7.777 15.440 -2.641 142 H ALA 20 H ALA 20 9.526 11.651 -7.294 143 HA ALA 20 HA ALA 20 11.035 12.995 -9.300 144 1HB ALA 20 1HB ALA 20 11.972 10.779 -9.822 145 2HB ALA 20 2HB ALA 20 10.677 10.009 -8.905 146 3HB ALA 20 3HB ALA 20 11.866 11.015 -8.077 147 H GLU 21 H GLU 21 8.386 10.606 -9.633 148 HA GLU 21 HA GLU 21 8.363 10.558 -12.499 149 1HB GLU 21 1HB GLU 21 6.016 10.142 -10.615 150 2HB GLU 21 2HB GLU 21 7.193 8.895 -11.023 151 1HG GLU 21 1HG GLU 21 5.784 8.389 -12.731 152 2HG GLU 21 2HG GLU 21 6.443 9.828 -13.511 153 H PHE 22 H PHE 22 6.596 12.563 -10.130 154 HA PHE 22 HA PHE 22 5.066 14.030 -12.075 155 1HB PHE 22 1HB PHE 22 4.653 15.633 -10.274 156 2HB PHE 22 2HB PHE 22 5.984 14.964 -9.334 157 HD1 PHE 22 HD1 PHE 22 3.441 13.098 -11.342 158 HD2 PHE 22 HD2 PHE 22 4.875 14.098 -7.416 159 HE1 PHE 22 HE1 PHE 22 1.897 11.434 -10.352 160 HE2 PHE 22 HE2 PHE 22 3.329 12.432 -6.432 161 HZ PHE 22 HZ PHE 22 1.841 11.101 -7.898 162 H LYS 23 H LYS 23 8.355 14.343 -10.848 163 HA LYS 23 HA LYS 23 8.892 17.014 -11.703 164 1HB LYS 23 1HB LYS 23 11.062 14.982 -11.919 165 2HB LYS 23 2HB LYS 23 10.316 15.185 -10.335 166 1HG LYS 23 1HG LYS 23 11.853 16.870 -10.134 167 2HG LYS 23 2HG LYS 23 10.651 17.788 -11.041 168 1HD LYS 23 1HD LYS 23 12.492 18.165 -12.385 169 2HD LYS 23 2HD LYS 23 11.918 16.665 -13.112 170 1HE LYS 23 1HE LYS 23 13.455 15.405 -11.579 171 2HE LYS 23 2HE LYS 23 14.094 16.950 -11.018 172 1HZ LYS 23 1HZ LYS 23 14.146 15.950 -13.814 173 2HZ LYS 23 2HZ LYS 23 15.475 16.049 -12.761 174 3HZ LYS 23 3HZ LYS 23 14.715 17.466 -13.309 175 H ALA 24 H ALA 24 8.785 13.954 -13.485 176 HA ALA 24 HA ALA 24 10.193 14.716 -15.826 177 1HB ALA 24 1HB ALA 24 8.895 12.981 -16.976 178 2HB ALA 24 2HB ALA 24 7.732 12.952 -15.652 179 3HB ALA 24 3HB ALA 24 9.388 12.407 -15.383 180 H ALA 25 H ALA 25 6.734 15.125 -15.043 181 HA ALA 25 HA ALA 25 6.115 16.493 -17.523 182 1HB ALA 25 1HB ALA 25 3.973 17.030 -16.446 183 2HB ALA 25 2HB ALA 25 4.619 16.526 -14.884 184 3HB ALA 25 3HB ALA 25 4.393 15.339 -16.168 185 H PHE 26 H PHE 26 7.416 17.532 -14.443 186 HA PHE 26 HA PHE 26 6.707 20.310 -14.615 187 1HB PHE 26 1HB PHE 26 9.227 19.374 -13.266 188 2HB PHE 26 2HB PHE 26 7.658 18.912 -12.606 189 HD1 PHE 26 HD1 PHE 26 10.172 21.377 -12.545 190 HD2 PHE 26 HD2 PHE 26 5.900 20.928 -12.457 191 HE1 PHE 26 HE1 PHE 26 9.957 23.616 -11.502 192 HE2 PHE 26 HE2 PHE 26 5.687 23.168 -11.413 193 HZ PHE 26 HZ PHE 26 7.714 24.510 -10.937 194 H ASP 27 H ASP 27 9.701 18.569 -15.604 195 HA ASP 27 HA ASP 27 11.052 20.929 -16.507 196 1HB ASP 27 1HB ASP 27 12.379 18.970 -16.150 197 2HB ASP 27 2HB ASP 27 12.460 19.335 -17.870 198 H MET 28 H MET 28 8.467 19.110 -17.975 199 HA MET 28 HA MET 28 8.958 19.824 -20.718 200 1HB MET 28 1HB MET 28 6.697 19.176 -21.160 201 2HB MET 28 2HB MET 28 6.201 19.502 -19.502 202 1HG MET 28 1HG MET 28 6.414 17.086 -19.864 203 2HG MET 28 2HG MET 28 7.637 17.644 -18.724 204 1HE MET 28 1HE MET 28 8.240 14.675 -21.042 205 2HE MET 28 2HE MET 28 7.883 15.243 -19.413 206 3HE MET 28 3HE MET 28 9.558 15.034 -19.918 207 H PHE 29 H PHE 29 6.771 21.264 -18.291 208 HA PHE 29 HA PHE 29 6.151 23.600 -19.840 209 1HB PHE 29 1HB PHE 29 5.841 24.485 -17.293 210 2HB PHE 29 2HB PHE 29 5.835 22.746 -17.011 211 HD1 PHE 29 HD1 PHE 29 3.921 25.573 -18.115 212 HD2 PHE 29 HD2 PHE 29 4.259 21.303 -18.463 213 HE1 PHE 29 HE1 PHE 29 1.579 25.453 -18.920 214 HE2 PHE 29 HE2 PHE 29 1.917 21.185 -19.269 215 HZ PHE 29 HZ PHE 29 0.577 23.259 -19.498 216 H ASP 30 H ASP 30 8.837 22.729 -17.807 217 HA ASP 30 HA ASP 30 9.909 25.462 -17.624 218 1HB ASP 30 1HB ASP 30 11.433 22.959 -16.972 219 2HB ASP 30 2HB ASP 30 10.132 23.498 -15.912 220 H ALA 31 H ALA 31 9.556 24.661 -20.318 221 HA ALA 31 HA ALA 31 11.854 23.513 -21.546 222 1HB ALA 31 1HB ALA 31 10.954 24.260 -23.600 223 2HB ALA 31 2HB ALA 31 10.173 25.652 -22.850 224 3HB ALA 31 3HB ALA 31 9.540 24.030 -22.572 225 H ASP 32 H ASP 32 11.225 26.808 -20.433 226 HA ASP 32 HA ASP 32 13.625 27.864 -21.771 227 1HB ASP 32 1HB ASP 32 11.661 29.325 -21.494 228 2HB ASP 32 2HB ASP 32 13.052 29.985 -20.636 229 H GLY 33 H GLY 33 12.682 26.832 -18.496 230 1HA GLY 33 1HA GLY 33 15.493 27.359 -17.607 231 2HA GLY 33 2HA GLY 33 14.694 25.828 -17.257 232 H GLY 34 H GLY 34 15.166 26.465 -14.954 233 1HA GLY 34 1HA GLY 34 13.098 28.368 -13.911 234 2HA GLY 34 2HA GLY 34 14.682 28.179 -13.162 235 H GLY 35 H GLY 35 13.024 27.757 -11.288 236 1HA GLY 35 1HA GLY 35 12.949 25.772 -9.776 237 2HA GLY 35 2HA GLY 35 12.490 24.809 -11.178 238 H ASP 36 H ASP 36 10.675 27.042 -12.122 239 HA ASP 36 HA ASP 36 8.286 26.175 -10.695 240 1HB ASP 36 1HB ASP 36 8.437 27.798 -9.091 241 2HB ASP 36 2HB ASP 36 7.789 28.821 -10.367 242 H ILE 37 H ILE 37 6.306 27.204 -11.668 243 HA ILE 37 HA ILE 37 6.835 27.837 -14.544 244 HB ILE 37 HB ILE 37 4.107 27.201 -13.425 245 1HG1 ILE 37 1HG1 ILE 37 4.519 24.806 -13.950 246 2HG1 ILE 37 2HG1 ILE 37 5.548 25.369 -12.635 247 1HG2 ILE 37 1HG2 ILE 37 4.154 27.977 -15.702 248 2HG2 ILE 37 2HG2 ILE 37 3.883 26.235 -15.753 249 3HG2 ILE 37 3HG2 ILE 37 5.482 26.890 -16.105 250 1HD1 ILE 37 1HD1 ILE 37 6.724 25.706 -15.323 251 2HD1 ILE 37 2HD1 ILE 37 6.454 24.028 -14.855 252 3HD1 ILE 37 3HD1 ILE 37 7.453 25.074 -13.847 253 H SER 38 H SER 38 5.528 29.597 -15.516 254 HA SER 38 HA SER 38 4.544 31.588 -13.514 255 1HB SER 38 1HB SER 38 6.032 32.471 -15.975 256 2HB SER 38 2HB SER 38 6.929 31.973 -14.544 257 HG SER 38 HG SER 38 6.532 34.167 -14.415 258 H THR 39 H THR 39 3.358 33.449 -14.803 259 HA THR 39 HA THR 39 1.159 32.248 -16.230 260 HB THR 39 HB THR 39 1.925 35.185 -16.143 261 HG1 THR 39 HG1 THR 39 1.253 35.178 -14.164 262 1HG2 THR 39 1HG2 THR 39 0.212 34.720 -17.794 263 2HG2 THR 39 2HG2 THR 39 -0.557 35.466 -16.393 264 3HG2 THR 39 3HG2 THR 39 -0.683 33.725 -16.645 265 H LYS 40 H LYS 40 3.915 34.261 -17.302 266 HA LYS 40 HA LYS 40 3.180 34.198 -20.102 267 1HB LYS 40 1HB LYS 40 5.246 35.264 -20.528 268 2HB LYS 40 2HB LYS 40 6.023 34.516 -19.133 269 1HG LYS 40 1HG LYS 40 4.994 35.969 -17.618 270 2HG LYS 40 2HG LYS 40 3.688 36.373 -18.734 271 1HD LYS 40 1HD LYS 40 5.011 37.861 -19.950 272 2HD LYS 40 2HD LYS 40 6.516 37.081 -19.463 273 1HE LYS 40 1HE LYS 40 6.669 38.310 -17.552 274 2HE LYS 40 2HE LYS 40 4.941 38.188 -17.225 275 1HZ LYS 40 1HZ LYS 40 6.134 39.956 -19.290 276 2HZ LYS 40 2HZ LYS 40 5.677 40.466 -17.736 277 3HZ LYS 40 3HZ LYS 40 4.504 39.896 -18.825 278 H GLU 41 H GLU 41 5.385 32.283 -18.073 279 HA GLU 41 HA GLU 41 6.487 30.606 -20.089 280 1HB GLU 41 1HB GLU 41 5.821 29.421 -17.428 281 2HB GLU 41 2HB GLU 41 6.904 30.811 -17.450 282 1HG GLU 41 1HG GLU 41 8.422 29.668 -18.958 283 2HG GLU 41 2HG GLU 41 7.296 28.324 -19.140 284 H LEU 42 H LEU 42 3.404 30.428 -18.347 285 HA LEU 42 HA LEU 42 2.609 27.809 -19.150 286 1HB LEU 42 1HB LEU 42 0.341 29.585 -19.041 287 2HB LEU 42 2HB LEU 42 1.464 29.997 -17.749 288 HG LEU 42 HG LEU 42 0.470 27.193 -18.326 289 1HD1 LEU 42 1HD1 LEU 42 1.435 26.722 -16.083 290 2HD1 LEU 42 2HD1 LEU 42 2.037 28.379 -16.015 291 3HD1 LEU 42 3HD1 LEU 42 2.662 27.263 -17.229 292 1HD2 LEU 42 1HD2 LEU 42 -0.662 29.425 -16.767 293 2HD2 LEU 42 2HD2 LEU 42 -0.514 27.919 -15.859 294 3HD2 LEU 42 3HD2 LEU 42 -1.441 27.957 -17.358 295 H GLY 43 H GLY 43 1.739 30.976 -20.593 296 1HA GLY 43 1HA GLY 43 1.162 31.541 -22.795 297 2HA GLY 43 2HA GLY 43 0.326 29.990 -22.836 298 H THR 44 H THR 44 3.814 30.334 -22.327 299 HA THR 44 HA THR 44 4.597 29.919 -25.070 300 HB THR 44 HB THR 44 6.190 29.159 -22.604 301 HG1 THR 44 HG1 THR 44 6.374 31.200 -22.211 302 1HG2 THR 44 1HG2 THR 44 7.373 28.404 -24.477 303 2HG2 THR 44 2HG2 THR 44 8.035 30.022 -24.245 304 3HG2 THR 44 3HG2 THR 44 6.815 29.738 -25.488 305 H VAL 45 H VAL 45 4.118 27.689 -22.326 306 HA VAL 45 HA VAL 45 4.888 25.322 -23.807 307 HB VAL 45 HB VAL 45 3.142 25.515 -21.326 308 1HG1 VAL 45 1HG1 VAL 45 4.908 23.253 -22.316 309 2HG1 VAL 45 2HG1 VAL 45 3.162 23.312 -22.550 310 3HG1 VAL 45 3HG1 VAL 45 3.829 23.222 -20.922 311 1HG2 VAL 45 1HG2 VAL 45 5.475 26.626 -21.267 312 2HG2 VAL 45 2HG2 VAL 45 6.118 24.992 -21.412 313 3HG2 VAL 45 3HG2 VAL 45 5.126 25.428 -20.022 314 H MET 46 H MET 46 1.818 27.033 -23.316 315 HA MET 46 HA MET 46 0.128 24.950 -24.387 316 1HB MET 46 1HB MET 46 -1.582 26.656 -24.566 317 2HB MET 46 2HB MET 46 -0.377 27.940 -24.497 318 1HG MET 46 1HG MET 46 -0.199 27.817 -22.237 319 2HG MET 46 2HG MET 46 -0.286 26.057 -22.224 320 1HE MET 46 1HE MET 46 -1.816 24.812 -21.559 321 2HE MET 46 2HE MET 46 -3.037 24.834 -22.829 322 3HE MET 46 3HE MET 46 -3.511 25.120 -21.157 323 NH1 ARG 47 NH1 ARG 47 1.560 32.608 -30.400 324 NH2 ARG 47 NH2 ARG 47 2.391 33.975 -28.794 325 H ARG 47 H ARG 47 1.640 27.840 -25.838 326 HA ARG 47 HA ARG 47 0.692 27.404 -28.501 327 1HB ARG 47 1HB ARG 47 2.948 28.755 -28.974 328 2HB ARG 47 2HB ARG 47 2.859 29.017 -27.233 329 1HG ARG 47 1HG ARG 47 0.266 29.473 -27.992 330 2HG ARG 47 2HG ARG 47 1.147 30.072 -29.394 331 1HD ARG 47 1HD ARG 47 2.656 31.228 -27.544 332 2HD ARG 47 2HD ARG 47 1.207 31.040 -26.556 333 HE ARG 47 HE ARG 47 0.065 32.585 -27.993 334 1HH1 ARG 47 1HH1 ARG 47 2.904 34.481 -29.490 335 2HH1 ARG 47 2HH1 ARG 47 2.452 34.246 -27.834 336 1HH2 ARG 47 1HH2 ARG 47 0.986 31.834 -30.668 337 2HH2 ARG 47 2HH2 ARG 47 2.072 33.112 -31.097 338 H MET 48 H MET 48 3.283 25.858 -26.701 339 HA MET 48 HA MET 48 4.869 24.992 -28.925 340 1HB MET 48 1HB MET 48 5.170 24.802 -26.240 341 2HB MET 48 2HB MET 48 6.079 23.813 -27.376 342 1HG MET 48 1HG MET 48 4.642 21.936 -27.052 343 2HG MET 48 2HG MET 48 3.424 22.915 -26.234 344 1HE MET 48 1HE MET 48 6.802 20.611 -24.479 345 2HE MET 48 2HE MET 48 6.834 21.201 -26.139 346 3HE MET 48 3HE MET 48 5.499 20.187 -25.597 347 H LEU 49 H LEU 49 1.890 23.748 -27.506 348 HA LEU 49 HA LEU 49 1.923 21.330 -29.189 349 1HB LEU 49 1HB LEU 49 -0.308 22.424 -27.445 350 2HB LEU 49 2HB LEU 49 0.966 21.357 -26.858 351 HG LEU 49 HG LEU 49 0.053 20.038 -29.119 352 1HD1 LEU 49 1HD1 LEU 49 0.601 19.122 -26.842 353 2HD1 LEU 49 2HD1 LEU 49 -0.866 18.438 -27.542 354 3HD1 LEU 49 3HD1 LEU 49 -0.981 19.675 -26.291 355 1HD2 LEU 49 1HD2 LEU 49 -1.852 21.686 -29.192 356 2HD2 LEU 49 2HD2 LEU 49 -2.352 21.102 -27.605 357 3HD2 LEU 49 3HD2 LEU 49 -2.372 20.013 -28.992 358 H GLY 50 H GLY 50 0.574 24.581 -29.247 359 1HA GLY 50 1HA GLY 50 -0.949 23.856 -31.720 360 2HA GLY 50 2HA GLY 50 0.057 25.297 -31.645 361 H GLN 51 H GLN 51 -1.186 25.168 -28.603 362 HA GLN 51 HA GLN 51 -3.865 26.239 -29.228 363 1HB GLN 51 1HB GLN 51 -2.639 26.251 -26.481 364 2HB GLN 51 2HB GLN 51 -3.177 24.727 -27.187 365 1HG GLN 51 1HG GLN 51 -5.420 25.432 -27.294 366 2HG GLN 51 2HG GLN 51 -4.985 27.138 -27.182 367 1HE2 GLN 51 1HE2 GLN 51 -4.552 28.022 -25.044 368 2HE2 GLN 51 2HE2 GLN 51 -4.886 27.145 -23.629 369 H ASN 52 H ASN 52 -4.481 28.414 -28.731 370 HA ASN 52 HA ASN 52 -2.182 30.283 -28.300 371 1HB ASN 52 1HB ASN 52 -4.588 31.168 -29.849 372 2HB ASN 52 2HB ASN 52 -3.420 30.124 -30.656 373 1HD2 ASN 52 1HD2 ASN 52 -4.108 33.231 -30.651 374 2HD2 ASN 52 2HD2 ASN 52 -2.566 33.937 -30.622 375 HA PRO 53 HA PRO 53 -5.302 31.043 -24.999 376 1HB PRO 53 1HB PRO 53 -4.221 29.654 -23.510 377 2HB PRO 53 2HB PRO 53 -3.448 31.153 -22.971 378 1HG PRO 53 1HG PRO 53 -2.056 28.965 -23.938 379 2HG PRO 53 2HG PRO 53 -1.444 30.624 -24.019 380 1HD PRO 53 1HD PRO 53 -2.428 28.889 -26.199 381 2HD PRO 53 2HD PRO 53 -1.477 30.386 -26.306 382 H THR 54 H THR 54 -5.375 33.007 -23.504 383 HA THR 54 HA THR 54 -3.859 35.259 -24.747 384 HB THR 54 HB THR 54 -5.701 36.574 -24.530 385 HG1 THR 54 HG1 THR 54 -5.984 37.031 -22.516 386 1HG2 THR 54 1HG2 THR 54 -7.799 35.434 -24.665 387 2HG2 THR 54 2HG2 THR 54 -7.175 34.046 -23.773 388 3HG2 THR 54 3HG2 THR 54 -6.603 34.373 -25.409 389 H LYS 55 H LYS 55 -3.367 37.102 -23.135 390 HA LYS 55 HA LYS 55 -1.685 36.039 -21.040 391 1HB LYS 55 1HB LYS 55 -1.432 38.500 -20.433 392 2HB LYS 55 2HB LYS 55 -2.540 38.854 -21.759 393 1HG LYS 55 1HG LYS 55 -1.036 37.905 -23.375 394 2HG LYS 55 2HG LYS 55 -0.016 37.213 -22.112 395 1HD LYS 55 1HD LYS 55 0.978 39.237 -21.622 396 2HD LYS 55 2HD LYS 55 -0.458 40.166 -22.057 397 1HE LYS 55 1HE LYS 55 0.903 38.676 -24.253 398 2HE LYS 55 2HE LYS 55 1.736 40.093 -23.616 399 1HZ LYS 55 1HZ LYS 55 -0.248 41.405 -24.004 400 2HZ LYS 55 2HZ LYS 55 -1.067 40.040 -24.601 401 3HZ LYS 55 3HZ LYS 55 0.265 40.671 -25.445 402 H GLU 56 H GLU 56 -4.681 38.030 -20.919 403 HA GLU 56 HA GLU 56 -4.906 37.823 -18.045 404 1HB GLU 56 1HB GLU 56 -5.961 39.646 -19.384 405 2HB GLU 56 2HB GLU 56 -7.100 38.830 -18.316 406 1HG GLU 56 1HG GLU 56 -8.393 38.284 -20.075 407 2HG GLU 56 2HG GLU 56 -7.043 37.441 -20.830 408 H GLU 57 H GLU 57 -5.963 35.776 -20.691 409 HA GLU 57 HA GLU 57 -7.955 34.294 -19.205 410 1HB GLU 57 1HB GLU 57 -6.322 33.571 -21.663 411 2HB GLU 57 2HB GLU 57 -7.939 34.272 -21.653 412 1HG GLU 57 1HG GLU 57 -8.871 32.232 -21.450 413 2HG GLU 57 2HG GLU 57 -7.898 31.887 -20.021 414 H LEU 58 H LEU 58 -4.559 33.635 -20.079 415 HA LEU 58 HA LEU 58 -4.368 31.238 -18.474 416 1HB LEU 58 1HB LEU 58 -1.783 32.165 -18.783 417 2HB LEU 58 2HB LEU 58 -2.617 32.873 -20.166 418 HG LEU 58 HG LEU 58 -3.544 30.614 -20.695 419 1HD1 LEU 58 1HD1 LEU 58 -1.324 29.630 -21.423 420 2HD1 LEU 58 2HD1 LEU 58 -0.539 30.935 -20.534 421 3HD1 LEU 58 3HD1 LEU 58 -1.585 31.307 -21.904 422 1HD2 LEU 58 1HD2 LEU 58 -2.033 29.984 -18.202 423 2HD2 LEU 58 2HD2 LEU 58 -1.996 28.777 -19.487 424 3HD2 LEU 58 3HD2 LEU 58 -3.539 29.294 -18.808 425 H ASP 59 H ASP 59 -3.862 34.647 -17.842 426 HA ASP 59 HA ASP 59 -2.303 34.471 -15.466 427 1HB ASP 59 1HB ASP 59 -4.455 36.537 -16.013 428 2HB ASP 59 2HB ASP 59 -2.857 36.584 -16.756 429 H ALA 60 H ALA 60 -5.811 34.217 -15.991 430 HA ALA 60 HA ALA 60 -6.482 34.104 -13.167 431 1HB ALA 60 1HB ALA 60 -7.951 33.372 -15.705 432 2HB ALA 60 2HB ALA 60 -8.290 34.692 -14.587 433 3HB ALA 60 3HB ALA 60 -8.640 33.029 -14.118 434 H ILE 61 H ILE 61 -5.667 31.771 -15.671 435 HA ILE 61 HA ILE 61 -6.318 29.352 -14.338 436 HB ILE 61 HB ILE 61 -4.150 30.074 -16.328 437 1HG1 ILE 61 1HG1 ILE 61 -5.676 29.330 -17.988 438 2HG1 ILE 61 2HG1 ILE 61 -6.642 30.310 -16.892 439 1HG2 ILE 61 1HG2 ILE 61 -4.993 27.388 -15.220 440 2HG2 ILE 61 2HG2 ILE 61 -3.365 28.052 -15.356 441 3HG2 ILE 61 3HG2 ILE 61 -4.232 27.539 -16.804 442 1HD1 ILE 61 1HD1 ILE 61 -6.446 27.282 -16.814 443 2HD1 ILE 61 2HD1 ILE 61 -7.799 28.200 -17.473 444 3HD1 ILE 61 3HD1 ILE 61 -7.436 28.281 -15.749 445 H ILE 62 H ILE 62 -3.509 31.509 -14.038 446 HA ILE 62 HA ILE 62 -1.930 29.679 -12.423 447 HB ILE 62 HB ILE 62 -1.752 32.701 -12.605 448 1HG1 ILE 62 1HG1 ILE 62 -0.677 32.513 -14.617 449 2HG1 ILE 62 2HG1 ILE 62 -1.587 31.014 -14.739 450 1HG2 ILE 62 1HG2 ILE 62 -0.410 32.025 -10.787 451 2HG2 ILE 62 2HG2 ILE 62 0.726 32.093 -12.134 452 3HG2 ILE 62 3HG2 ILE 62 0.094 30.538 -11.591 453 1HD1 ILE 62 1HD1 ILE 62 0.401 29.877 -13.590 454 2HD1 ILE 62 2HD1 ILE 62 1.293 31.369 -13.889 455 3HD1 ILE 62 3HD1 ILE 62 0.668 30.427 -15.244 456 H GLU 63 H GLU 63 -4.187 32.344 -11.723 457 HA GLU 63 HA GLU 63 -3.801 32.497 -8.909 458 1HB GLU 63 1HB GLU 63 -6.580 32.874 -9.536 459 2HB GLU 63 2HB GLU 63 -5.610 33.574 -10.832 460 1HG GLU 63 1HG GLU 63 -4.557 35.089 -9.399 461 2HG GLU 63 2HG GLU 63 -4.849 34.095 -7.971 462 H GLU 64 H GLU 64 -5.826 30.326 -10.866 463 HA GLU 64 HA GLU 64 -7.340 29.108 -8.804 464 1HB GLU 64 1HB GLU 64 -6.336 27.318 -10.950 465 2HB GLU 64 2HB GLU 64 -7.174 28.769 -11.495 466 1HG GLU 64 1HG GLU 64 -9.106 27.669 -11.103 467 2HG GLU 64 2HG GLU 64 -8.743 27.805 -9.382 468 H VAL 65 H VAL 65 -4.120 28.200 -10.076 469 HA VAL 65 HA VAL 65 -3.770 25.986 -8.239 470 HB VAL 65 HB VAL 65 -1.656 27.584 -9.724 471 1HG1 VAL 65 1HG1 VAL 65 -0.427 25.355 -9.526 472 2HG1 VAL 65 2HG1 VAL 65 -1.653 24.886 -8.349 473 3HG1 VAL 65 3HG1 VAL 65 -0.601 26.265 -8.027 474 1HG2 VAL 65 1HG2 VAL 65 -3.376 25.225 -10.505 475 2HG2 VAL 65 2HG2 VAL 65 -1.825 25.533 -11.284 476 3HG2 VAL 65 3HG2 VAL 65 -3.117 26.729 -11.390 477 H ASP 66 H ASP 66 -2.833 29.410 -8.188 478 HA ASP 66 HA ASP 66 -1.261 29.237 -5.776 479 1HB ASP 66 1HB ASP 66 -1.686 31.803 -5.809 480 2HB ASP 66 2HB ASP 66 -2.436 31.499 -7.377 481 H GLU 67 H GLU 67 -2.948 27.938 -4.613 482 HA GLU 67 HA GLU 67 -5.443 29.011 -3.742 483 1HB GLU 67 1HB GLU 67 -3.910 27.339 -1.811 484 2HB GLU 67 2HB GLU 67 -4.215 26.625 -3.394 485 1HG GLU 67 1HG GLU 67 -6.670 27.677 -2.831 486 2HG GLU 67 2HG GLU 67 -6.110 27.269 -1.210 487 H ASP 68 H ASP 68 -2.159 29.339 -2.400 488 HA ASP 68 HA ASP 68 -3.081 30.894 -0.105 489 1HB ASP 68 1HB ASP 68 -1.007 29.506 -0.024 490 2HB ASP 68 2HB ASP 68 -0.712 31.189 0.402 491 H GLY 69 H GLY 69 -1.841 31.599 -3.350 492 1HA GLY 69 1HA GLY 69 -2.475 34.473 -2.858 493 2HA GLY 69 2HA GLY 69 -2.458 33.698 -4.442 494 H SER 70 H SER 70 -0.069 32.476 -4.618 495 HA SER 70 HA SER 70 2.080 34.241 -3.652 496 1HB SER 70 1HB SER 70 2.782 32.184 -5.636 497 2HB SER 70 2HB SER 70 1.952 31.546 -4.220 498 HG SER 70 HG SER 70 3.587 32.033 -2.997 499 H GLY 71 H GLY 71 0.889 33.153 -6.860 500 1HA GLY 71 1HA GLY 71 2.282 35.495 -8.073 501 2HA GLY 71 2HA GLY 71 0.570 35.228 -8.408 502 H THR 72 H THR 72 3.485 33.140 -8.296 503 HA THR 72 HA THR 72 2.826 32.213 -11.061 504 HB THR 72 HB THR 72 5.223 31.496 -11.147 505 HG1 THR 72 HG1 THR 72 5.526 32.980 -8.760 506 1HG2 THR 72 1HG2 THR 72 4.760 34.407 -10.440 507 2HG2 THR 72 2HG2 THR 72 4.572 33.685 -12.039 508 3HG2 THR 72 3HG2 THR 72 6.168 33.777 -11.296 509 H ILE 73 H ILE 73 3.872 29.803 -11.318 510 HA ILE 73 HA ILE 73 2.564 28.202 -9.172 511 HB ILE 73 HB ILE 73 3.636 27.040 -11.728 512 1HG1 ILE 73 1HG1 ILE 73 2.272 28.996 -12.396 513 2HG1 ILE 73 2HG1 ILE 73 0.949 28.423 -11.383 514 1HG2 ILE 73 1HG2 ILE 73 1.745 25.474 -11.367 515 2HG2 ILE 73 2HG2 ILE 73 1.293 26.376 -9.921 516 3HG2 ILE 73 3HG2 ILE 73 2.833 25.521 -9.980 517 1HD1 ILE 73 1HD1 ILE 73 2.142 26.795 -13.646 518 2HD1 ILE 73 2HD1 ILE 73 0.738 27.843 -13.845 519 3HD1 ILE 73 3HD1 ILE 73 0.658 26.460 -12.754 520 H ASP 74 H ASP 74 3.727 26.807 -7.929 521 HA ASP 74 HA ASP 74 6.692 26.826 -8.252 522 1HB ASP 74 1HB ASP 74 6.681 26.040 -5.856 523 2HB ASP 74 2HB ASP 74 4.934 26.243 -5.856 524 H PHE 75 H PHE 75 7.668 24.678 -7.283 525 HA PHE 75 HA PHE 75 6.715 22.495 -8.940 526 1HB PHE 75 1HB PHE 75 8.738 22.414 -6.677 527 2HB PHE 75 2HB PHE 75 9.126 22.798 -8.351 528 HD1 PHE 75 HD1 PHE 75 9.526 20.277 -6.152 529 HD2 PHE 75 HD2 PHE 75 7.638 20.932 -9.955 530 HE1 PHE 75 HE1 PHE 75 9.709 17.858 -6.663 531 HE2 PHE 75 HE2 PHE 75 7.821 18.512 -10.464 532 HZ PHE 75 HZ PHE 75 8.857 16.975 -8.818 533 H GLU 76 H GLU 76 6.713 23.131 -5.424 534 HA GLU 76 HA GLU 76 5.291 20.720 -4.734 535 1HB GLU 76 1HB GLU 76 4.741 22.028 -2.607 536 2HB GLU 76 2HB GLU 76 5.645 23.370 -3.311 537 1HG GLU 76 1HG GLU 76 7.665 22.047 -3.405 538 2HG GLU 76 2HG GLU 76 6.789 20.582 -2.960 539 H GLU 77 H GLU 77 4.285 23.784 -6.067 540 HA GLU 77 HA GLU 77 1.472 23.572 -5.309 541 1HB GLU 77 1HB GLU 77 1.248 25.187 -7.348 542 2HB GLU 77 2HB GLU 77 3.010 25.202 -7.336 543 1HG GLU 77 1HG GLU 77 3.112 26.234 -5.235 544 2HG GLU 77 2HG GLU 77 1.492 25.702 -4.786 545 H PHE 78 H PHE 78 3.550 22.607 -7.954 546 HA PHE 78 HA PHE 78 1.502 21.557 -9.687 547 1HB PHE 78 1HB PHE 78 4.490 21.138 -9.441 548 2HB PHE 78 2HB PHE 78 3.649 22.165 -10.594 549 HD1 PHE 78 HD1 PHE 78 2.070 21.036 -12.296 550 HD2 PHE 78 HD2 PHE 78 4.938 18.881 -9.934 551 HE1 PHE 78 HE1 PHE 78 1.938 19.125 -13.873 552 HE2 PHE 78 HE2 PHE 78 4.803 16.973 -11.509 553 HZ PHE 78 HZ PHE 78 3.304 17.095 -13.480 554 H LEU 79 H LEU 79 3.403 20.283 -6.981 555 HA LEU 79 HA LEU 79 2.711 17.498 -7.398 556 1HB LEU 79 1HB LEU 79 3.496 17.178 -5.077 557 2HB LEU 79 2HB LEU 79 3.525 18.923 -4.850 558 HG LEU 79 HG LEU 79 5.195 19.090 -6.711 559 1HD1 LEU 79 1HD1 LEU 79 7.043 18.493 -5.363 560 2HD1 LEU 79 2HD1 LEU 79 6.190 17.126 -4.647 561 3HD1 LEU 79 3HD1 LEU 79 5.749 18.773 -4.199 562 1HD2 LEU 79 1HD2 LEU 79 6.352 16.760 -7.130 563 2HD2 LEU 79 2HD2 LEU 79 4.915 17.195 -8.055 564 3HD2 LEU 79 3HD2 LEU 79 4.778 16.113 -6.670 565 H VAL 80 H VAL 80 1.389 20.076 -5.268 566 HA VAL 80 HA VAL 80 -0.694 18.442 -4.152 567 HB VAL 80 HB VAL 80 0.081 20.656 -3.212 568 1HG1 VAL 80 1HG1 VAL 80 -1.480 21.688 -5.586 569 2HG1 VAL 80 2HG1 VAL 80 0.184 22.060 -5.136 570 3HG1 VAL 80 3HG1 VAL 80 -1.150 22.672 -4.161 571 1HG2 VAL 80 1HG2 VAL 80 -2.053 21.193 -2.298 572 2HG2 VAL 80 2HG2 VAL 80 -2.127 19.471 -2.671 573 3HG2 VAL 80 3HG2 VAL 80 -2.894 20.640 -3.746 574 H MET 81 H MET 81 -0.379 20.226 -7.151 575 HA MET 81 HA MET 81 -3.153 20.228 -7.921 576 1HB MET 81 1HB MET 81 -1.971 20.175 -10.313 577 2HB MET 81 2HB MET 81 -0.532 20.512 -9.353 578 1HG MET 81 1HG MET 81 -1.141 22.678 -9.246 579 2HG MET 81 2HG MET 81 -2.602 22.208 -8.381 580 1HE MET 81 1HE MET 81 -0.728 22.435 -11.413 581 2HE MET 81 2HE MET 81 -1.615 23.707 -12.248 582 3HE MET 81 3HE MET 81 -1.823 22.028 -12.741 583 H MET 82 H MET 82 -0.474 17.914 -8.339 584 HA MET 82 HA MET 82 -2.055 16.013 -9.878 585 1HB MET 82 1HB MET 82 0.234 15.036 -8.242 586 2HB MET 82 2HB MET 82 0.608 16.269 -9.446 587 1HG MET 82 1HG MET 82 -1.121 13.963 -10.261 588 2HG MET 82 2HG MET 82 0.613 13.690 -10.087 589 1HE MET 82 1HE MET 82 -0.276 13.252 -13.181 590 2HE MET 82 2HE MET 82 -1.259 14.609 -13.725 591 3HE MET 82 3HE MET 82 -1.709 13.737 -12.262 592 H VAL 83 H VAL 83 -1.512 16.684 -6.483 593 HA VAL 83 HA VAL 83 -2.532 14.217 -5.408 594 HB VAL 83 HB VAL 83 -1.870 16.955 -4.390 595 1HG1 VAL 83 1HG1 VAL 83 -4.025 16.673 -3.329 596 2HG1 VAL 83 2HG1 VAL 83 -2.789 16.302 -2.129 597 3HG1 VAL 83 3HG1 VAL 83 -3.665 14.995 -2.924 598 1HG2 VAL 83 1HG2 VAL 83 -0.968 14.174 -4.128 599 2HG2 VAL 83 2HG2 VAL 83 -1.037 15.029 -2.588 600 3HG2 VAL 83 3HG2 VAL 83 -0.070 15.675 -3.913 601 NH1 ARG 84 NH1 ARG 84 -6.782 20.414 -10.580 602 NH2 ARG 84 NH2 ARG 84 -6.674 22.629 -10.102 603 H ARG 84 H ARG 84 -4.046 17.210 -6.526 604 HA ARG 84 HA ARG 84 -6.694 16.335 -5.505 605 1HB ARG 84 1HB ARG 84 -6.077 18.704 -5.222 606 2HB ARG 84 2HB ARG 84 -7.482 18.539 -6.275 607 1HG ARG 84 1HG ARG 84 -5.688 18.516 -8.196 608 2HG ARG 84 2HG ARG 84 -4.657 19.280 -6.986 609 1HD ARG 84 1HD ARG 84 -6.288 21.073 -6.680 610 2HD ARG 84 2HD ARG 84 -7.409 20.278 -7.785 611 HE ARG 84 HE ARG 84 -4.760 21.371 -8.657 612 1HH1 ARG 84 1HH1 ARG 84 -7.195 22.834 -10.932 613 2HH1 ARG 84 2HH1 ARG 84 -6.373 23.374 -9.506 614 1HH2 ARG 84 1HH2 ARG 84 -6.561 19.467 -10.348 615 2HH2 ARG 84 2HH2 ARG 84 -7.300 20.617 -11.410 616 H GLN 85 H GLN 85 -5.032 15.255 -7.947 617 HA GLN 85 HA GLN 85 -7.308 15.309 -9.881 618 1HB GLN 85 1HB GLN 85 -5.370 14.778 -11.572 619 2HB GLN 85 2HB GLN 85 -4.336 15.485 -10.328 620 1HG GLN 85 1HG GLN 85 -5.840 17.505 -10.336 621 2HG GLN 85 2HG GLN 85 -6.694 16.804 -11.711 622 1HE2 GLN 85 1HE2 GLN 85 -4.131 18.864 -10.889 623 2HE2 GLN 85 2HE2 GLN 85 -3.292 18.819 -12.363 624 H MET 86 H MET 86 -4.682 13.412 -8.414 625 HA MET 86 HA MET 86 -5.790 10.929 -9.620 626 1HB MET 86 1HB MET 86 -3.750 9.924 -8.361 627 2HB MET 86 2HB MET 86 -3.237 11.600 -8.159 628 1HG MET 86 1HG MET 86 -2.980 11.929 -10.468 629 2HG MET 86 2HG MET 86 -4.048 10.585 -10.874 630 1HE MET 86 1HE MET 86 0.310 10.447 -9.473 631 2HE MET 86 2HE MET 86 -0.974 10.924 -8.366 632 3HE MET 86 3HE MET 86 -0.688 11.864 -9.828 633 H LYS 87 H LYS 87 -7.219 12.468 -7.482 634 HA LYS 87 HA LYS 87 -6.954 11.165 -4.951 635 1HB LYS 87 1HB LYS 87 -8.178 13.278 -5.199 636 2HB LYS 87 2HB LYS 87 -9.218 12.050 -4.477 637 1HG LYS 87 1HG LYS 87 -10.120 11.576 -6.790 638 2HG LYS 87 2HG LYS 87 -9.208 12.971 -7.368 639 1HD LYS 87 1HD LYS 87 -10.415 14.400 -5.725 640 2HD LYS 87 2HD LYS 87 -11.367 12.997 -5.236 641 1HE LYS 87 1HE LYS 87 -12.730 14.100 -6.832 642 2HE LYS 87 2HE LYS 87 -11.983 12.784 -7.738 643 1HZ LYS 87 1HZ LYS 87 -10.784 15.488 -7.623 644 2HZ LYS 87 2HZ LYS 87 -11.940 15.065 -8.793 645 3HZ LYS 87 3HZ LYS 87 -10.458 14.238 -8.724 646 H GLU 88 H GLU 88 -8.506 10.128 -7.904 647 HA GLU 88 HA GLU 88 -10.309 8.196 -6.771 648 1HB GLU 88 1HB GLU 88 -9.059 7.640 -9.422 649 2HB GLU 88 2HB GLU 88 -9.976 9.139 -9.266 650 1HG GLU 88 1HG GLU 88 -11.690 7.420 -8.056 651 2HG GLU 88 2HG GLU 88 -10.918 6.319 -9.197 652 H ASP 89 H ASP 89 -6.885 8.066 -7.655 653 HA ASP 89 HA ASP 89 -6.583 5.210 -7.375 654 1HB ASP 89 1HB ASP 89 -4.400 7.247 -6.910 655 2HB ASP 89 2HB ASP 89 -4.996 6.878 -8.528 656 H ALA 90 H ALA 90 -6.767 7.826 -5.070 657 HA ALA 90 HA ALA 90 -5.366 6.595 -2.891 658 1HB ALA 90 1HB ALA 90 -6.390 8.268 -1.505 659 2HB ALA 90 2HB ALA 90 -7.693 8.515 -2.668 660 3HB ALA 90 3HB ALA 90 -6.051 9.026 -3.061 661 H LYS 91 H LYS 91 -8.306 5.671 -4.357 662 HA LYS 91 HA LYS 91 -9.745 4.765 -2.023 663 1HB LYS 91 1HB LYS 91 -10.040 3.408 -4.684 664 2HB LYS 91 2HB LYS 91 -10.529 5.096 -4.535 665 1HG LYS 91 1HG LYS 91 -12.089 4.564 -2.775 666 2HG LYS 91 2HG LYS 91 -11.470 2.916 -2.650 667 1HD LYS 91 1HD LYS 91 -13.316 2.522 -3.985 668 2HD LYS 91 2HD LYS 91 -12.129 2.874 -5.240 669 1HE LYS 91 1HE LYS 91 -13.076 4.898 -5.751 670 2HE LYS 91 2HE LYS 91 -13.532 5.223 -4.078 671 1HZ LYS 91 1HZ LYS 91 -14.882 3.282 -5.877 672 2HZ LYS 91 2HZ LYS 91 -15.464 4.830 -5.488 673 3HZ LYS 91 3HZ LYS 91 -15.332 3.641 -4.281 674 H GLY 92 H GLY 92 -7.676 3.063 -4.411 675 1HA GLY 92 1HA GLY 92 -7.202 0.647 -4.197 676 2HA GLY 92 2HA GLY 92 -7.439 0.810 -2.456 677 H LYS 93 H LYS 93 -5.865 3.437 -2.539 678 HA LYS 93 HA LYS 93 -3.206 2.841 -3.454 679 1HB LYS 93 1HB LYS 93 -4.177 5.137 -3.022 680 2HB LYS 93 2HB LYS 93 -2.576 4.872 -2.353 681 1HG LYS 93 1HG LYS 93 -3.594 4.375 -0.143 682 2HG LYS 93 2HG LYS 93 -5.188 4.691 -0.826 683 1HD LYS 93 1HD LYS 93 -4.709 6.992 -1.153 684 2HD LYS 93 2HD LYS 93 -2.973 6.741 -0.970 685 1HE LYS 93 1HE LYS 93 -3.694 5.871 1.433 686 2HE LYS 93 2HE LYS 93 -5.108 6.880 1.129 687 1HZ LYS 93 1HZ LYS 93 -3.359 8.119 2.243 688 2HZ LYS 93 2HZ LYS 93 -3.645 8.749 0.691 689 3HZ LYS 93 3HZ LYS 93 -2.280 7.778 0.979 690 H SER 94 H SER 94 -4.932 2.033 -0.517 691 HA SER 94 HA SER 94 -2.684 1.624 1.217 692 1HB SER 94 1HB SER 94 -4.258 0.160 2.502 693 2HB SER 94 2HB SER 94 -5.422 0.322 1.191 694 HG SER 94 HG SER 94 -5.995 2.115 2.072 695 H GLU 95 H GLU 95 -3.937 -0.267 -1.440 696 HA GLU 95 HA GLU 95 -2.986 -2.849 -0.698 697 1HB GLU 95 1HB GLU 95 -2.972 -3.282 -3.177 698 2HB GLU 95 2HB GLU 95 -3.338 -1.573 -3.423 699 1HG GLU 95 1HG GLU 95 -5.451 -1.764 -2.365 700 2HG GLU 95 2HG GLU 95 -5.033 -3.307 -1.619 701 H GLU 96 H GLU 96 -1.289 -0.051 -2.027 702 HA GLU 96 HA GLU 96 1.069 -1.312 -2.972 703 1HB GLU 96 1HB GLU 96 1.287 1.297 -1.519 704 2HB GLU 96 2HB GLU 96 0.267 1.228 -2.955 705 1HG GLU 96 1HG GLU 96 2.144 1.480 -4.184 706 2HG GLU 96 2HG GLU 96 2.610 -0.143 -3.676 707 H GLU 97 H GLU 97 0.115 -0.431 0.332 708 HA GLU 97 HA GLU 97 2.633 -0.828 1.606 709 1HB GLU 97 1HB GLU 97 -0.071 -1.444 2.825 710 2HB GLU 97 2HB GLU 97 0.542 0.197 2.627 711 1HG GLU 97 1HG GLU 97 2.133 -0.056 4.268 712 2HG GLU 97 2HG GLU 97 2.371 -1.768 3.920 713 H LEU 98 H LEU 98 -0.084 -3.135 1.122 714 HA LEU 98 HA LEU 98 1.376 -5.366 2.250 715 1HB LEU 98 1HB LEU 98 -0.432 -6.692 0.888 716 2HB LEU 98 2HB LEU 98 -1.143 -5.108 0.624 717 HG LEU 98 HG LEU 98 -2.033 -6.367 2.640 718 1HD1 LEU 98 1HD1 LEU 98 -0.692 -7.017 4.351 719 2HD1 LEU 98 2HD1 LEU 98 0.273 -5.542 4.280 720 3HD1 LEU 98 3HD1 LEU 98 0.614 -6.873 3.175 721 1HD2 LEU 98 1HD2 LEU 98 -2.011 -3.815 2.287 722 2HD2 LEU 98 2HD2 LEU 98 -0.665 -3.789 3.425 723 3HD2 LEU 98 3HD2 LEU 98 -2.242 -4.387 3.938 724 H ALA 99 H ALA 99 1.191 -3.927 -0.949 725 HA ALA 99 HA ALA 99 2.171 -6.105 -2.504 726 1HB ALA 99 1HB ALA 99 1.275 -3.787 -3.267 727 2HB ALA 99 2HB ALA 99 2.583 -4.517 -4.199 728 3HB ALA 99 3HB ALA 99 2.935 -3.236 -3.039 729 H ASN 100 H ASN 100 3.838 -3.731 -0.469 730 HA ASN 100 HA ASN 100 6.517 -4.335 -1.316 731 1HB ASN 100 1HB ASN 100 6.046 -3.592 1.531 732 2HB ASN 100 2HB ASN 100 5.462 -2.454 0.319 733 1HD2 ASN 100 1HD2 ASN 100 7.058 -0.830 0.275 734 2HD2 ASN 100 2HD2 ASN 100 8.718 -1.125 0.076 735 H CYS 101 H CYS 101 4.560 -5.528 1.443 736 HA CYS 101 HA CYS 101 6.514 -7.453 2.333 737 1HB CYS 101 1HB CYS 101 4.518 -8.493 3.507 738 2HB CYS 101 2HB CYS 101 3.516 -7.263 2.737 739 HG CYS 101 HG CYS 101 4.883 -6.752 5.240 740 H PHE 102 H PHE 102 3.881 -7.544 -0.011 741 HA PHE 102 HA PHE 102 3.761 -10.355 -0.462 742 1HB PHE 102 1HB PHE 102 3.233 -7.995 -2.294 743 2HB PHE 102 2HB PHE 102 2.048 -8.865 -1.328 744 HD1 PHE 102 HD1 PHE 102 2.997 -8.419 -4.555 745 HD2 PHE 102 HD2 PHE 102 2.418 -11.638 -1.772 746 HE1 PHE 102 HE1 PHE 102 2.604 -9.977 -6.440 747 HE2 PHE 102 HE2 PHE 102 2.028 -13.197 -3.661 748 HZ PHE 102 HZ PHE 102 2.112 -12.365 -5.992 749 NH1 ARG 103 NH1 ARG 103 8.652 -4.072 -7.797 750 NH2 ARG 103 NH2 ARG 103 6.409 -4.155 -7.469 751 H ARG 103 H ARG 103 5.811 -7.815 -1.919 752 HA ARG 103 HA ARG 103 7.153 -9.589 -3.777 753 1HB ARG 103 1HB ARG 103 8.952 -7.583 -3.392 754 2HB ARG 103 2HB ARG 103 7.477 -6.799 -2.826 755 1HG ARG 103 1HG ARG 103 6.359 -7.364 -4.945 756 2HG ARG 103 2HG ARG 103 7.818 -8.182 -5.505 757 1HD ARG 103 1HD ARG 103 9.057 -6.012 -5.223 758 2HD ARG 103 2HD ARG 103 7.518 -5.235 -4.852 759 HE ARG 103 HE ARG 103 7.622 -6.695 -7.412 760 1HH1 ARG 103 1HH1 ARG 103 8.560 -3.160 -8.200 761 2HH1 ARG 103 2HH1 ARG 103 9.554 -4.495 -7.720 762 1HH2 ARG 103 1HH2 ARG 103 5.600 -4.642 -7.141 763 2HH2 ARG 103 2HH2 ARG 103 6.314 -3.244 -7.871 764 H ILE 104 H ILE 104 7.723 -8.684 -0.413 765 HA ILE 104 HA ILE 104 10.418 -9.595 -0.174 766 HB ILE 104 HB ILE 104 8.177 -9.459 1.865 767 1HG1 ILE 104 1HG1 ILE 104 9.130 -7.358 0.700 768 2HG1 ILE 104 2HG1 ILE 104 10.607 -7.683 1.605 769 1HG2 ILE 104 1HG2 ILE 104 9.718 -11.011 2.795 770 2HG2 ILE 104 2HG2 ILE 104 10.170 -9.459 3.498 771 3HG2 ILE 104 3HG2 ILE 104 11.109 -10.131 2.164 772 1HD1 ILE 104 1HD1 ILE 104 9.684 -7.009 3.573 773 2HD1 ILE 104 2HD1 ILE 104 8.143 -7.791 3.227 774 3HD1 ILE 104 3HD1 ILE 104 8.496 -6.201 2.552 775 H PHE 105 H PHE 105 7.436 -11.401 -0.485 776 HA PHE 105 HA PHE 105 8.587 -13.842 0.675 777 1HB PHE 105 1HB PHE 105 6.389 -14.785 -0.462 778 2HB PHE 105 2HB PHE 105 5.957 -13.077 -0.531 779 HD1 PHE 105 HD1 PHE 105 5.953 -15.993 1.493 780 HD2 PHE 105 HD2 PHE 105 6.343 -11.720 1.703 781 HE1 PHE 105 HE1 PHE 105 5.331 -16.052 3.894 782 HE2 PHE 105 HE2 PHE 105 5.720 -11.780 4.101 783 HZ PHE 105 HZ PHE 105 5.212 -13.945 5.196 784 H ASP 106 H ASP 106 8.063 -12.499 -2.592 785 HA ASP 106 HA ASP 106 8.990 -15.030 -3.809 786 1HB ASP 106 1HB ASP 106 7.433 -14.090 -5.261 787 2HB ASP 106 2HB ASP 106 8.937 -13.511 -5.964 788 H LYS 107 H LYS 107 11.112 -15.370 -3.340 789 HA LYS 107 HA LYS 107 13.116 -13.283 -3.232 790 1HB LYS 107 1HB LYS 107 14.729 -15.184 -3.152 791 2HB LYS 107 2HB LYS 107 13.399 -16.292 -3.487 792 1HG LYS 107 1HG LYS 107 12.264 -15.175 -1.425 793 2HG LYS 107 2HG LYS 107 13.891 -14.618 -1.034 794 1HD LYS 107 1HD LYS 107 14.657 -17.023 -1.238 795 2HD LYS 107 2HD LYS 107 12.959 -17.483 -1.366 796 1HE LYS 107 1HE LYS 107 13.348 -17.699 0.933 797 2HE LYS 107 2HE LYS 107 12.696 -16.064 0.828 798 1HZ LYS 107 1HZ LYS 107 15.592 -16.725 0.813 799 2HZ LYS 107 2HZ LYS 107 14.727 -16.210 2.182 800 3HZ LYS 107 3HZ LYS 107 14.907 -15.172 0.849 801 H ASN 108 H ASN 108 11.724 -15.107 -5.836 802 HA ASN 108 HA ASN 108 13.998 -14.654 -7.653 803 1HB ASN 108 1HB ASN 108 11.389 -15.504 -8.772 804 2HB ASN 108 2HB ASN 108 12.074 -16.591 -7.566 805 1HD2 ASN 108 1HD2 ASN 108 13.179 -18.222 -8.654 806 2HD2 ASN 108 2HD2 ASN 108 14.209 -17.985 -9.982 807 H ALA 109 H ALA 109 11.080 -13.033 -6.702 808 HA ALA 109 HA ALA 109 10.131 -11.019 -7.391 809 1HB ALA 109 1HB ALA 109 11.577 -9.364 -8.236 810 2HB ALA 109 2HB ALA 109 12.567 -10.539 -9.100 811 3HB ALA 109 3HB ALA 109 12.659 -10.432 -7.343 812 H ASP 110 H ASP 110 9.003 -13.006 -8.671 813 HA ASP 110 HA ASP 110 9.060 -12.295 -11.579 814 1HB ASP 110 1HB ASP 110 7.870 -14.645 -11.705 815 2HB ASP 110 2HB ASP 110 8.623 -14.889 -10.131 816 H GLY 111 H GLY 111 7.387 -11.317 -9.065 817 1HA GLY 111 1HA GLY 111 4.812 -11.314 -10.550 818 2HA GLY 111 2HA GLY 111 5.280 -10.146 -9.319 819 H PHE 112 H PHE 112 5.361 -13.728 -9.199 820 HA PHE 112 HA PHE 112 3.479 -13.553 -6.874 821 1HB PHE 112 1HB PHE 112 2.415 -15.558 -7.544 822 2HB PHE 112 2HB PHE 112 3.715 -15.979 -8.656 823 HD1 PHE 112 HD1 PHE 112 3.265 -15.686 -10.919 824 HD2 PHE 112 HD2 PHE 112 1.373 -13.093 -8.065 825 HE1 PHE 112 HE1 PHE 112 2.060 -14.538 -12.757 826 HE2 PHE 112 HE2 PHE 112 0.169 -11.947 -9.902 827 HZ PHE 112 HZ PHE 112 0.512 -12.669 -12.249 828 H ILE 113 H ILE 113 3.775 -15.213 -5.227 829 HA ILE 113 HA ILE 113 6.639 -15.874 -4.840 830 HB ILE 113 HB ILE 113 4.260 -16.259 -2.987 831 1HG1 ILE 113 1HG1 ILE 113 5.461 -13.861 -3.760 832 2HG1 ILE 113 2HG1 ILE 113 6.278 -14.266 -2.258 833 1HG2 ILE 113 1HG2 ILE 113 7.254 -16.511 -2.568 834 2HG2 ILE 113 2HG2 ILE 113 6.039 -17.775 -2.381 835 3HG2 ILE 113 3HG2 ILE 113 6.088 -16.426 -1.248 836 1HD1 ILE 113 1HD1 ILE 113 4.127 -14.503 -1.115 837 2HD1 ILE 113 2HD1 ILE 113 3.269 -14.206 -2.627 838 3HD1 ILE 113 3HD1 ILE 113 4.217 -12.919 -1.883 839 H ASP 114 H ASP 114 7.396 -18.022 -4.657 840 HA ASP 114 HA ASP 114 5.528 -20.097 -5.712 841 1HB ASP 114 1HB ASP 114 7.433 -21.311 -6.445 842 2HB ASP 114 2HB ASP 114 8.514 -20.396 -5.402 843 H ILE 115 H ILE 115 5.434 -22.158 -4.681 844 HA ILE 115 HA ILE 115 5.369 -22.105 -1.822 845 HB ILE 115 HB ILE 115 3.992 -23.619 -3.227 846 1HG1 ILE 115 1HG1 ILE 115 4.140 -24.255 -0.953 847 2HG1 ILE 115 2HG1 ILE 115 5.808 -24.798 -1.122 848 1HG2 ILE 115 1HG2 ILE 115 4.897 -25.489 -4.378 849 2HG2 ILE 115 2HG2 ILE 115 6.469 -25.308 -3.600 850 3HG2 ILE 115 3HG2 ILE 115 5.944 -24.138 -4.811 851 1HD1 ILE 115 1HD1 ILE 115 3.941 -26.599 -1.039 852 2HD1 ILE 115 2HD1 ILE 115 5.179 -26.748 -2.285 853 3HD1 ILE 115 3HD1 ILE 115 3.590 -26.101 -2.694 854 H GLU 116 H GLU 116 7.719 -23.394 -4.134 855 HA GLU 116 HA GLU 116 9.473 -24.667 -2.286 856 1HB GLU 116 1HB GLU 116 9.647 -24.989 -4.725 857 2HB GLU 116 2HB GLU 116 11.188 -24.464 -4.051 858 1HG GLU 116 1HG GLU 116 10.979 -22.296 -4.938 859 2HG GLU 116 2HG GLU 116 9.232 -22.440 -5.130 860 H GLU 117 H GLU 117 9.309 -21.278 -3.373 861 HA GLU 117 HA GLU 117 11.717 -20.415 -2.057 862 1HB GLU 117 1HB GLU 117 10.872 -18.152 -2.375 863 2HB GLU 117 2HB GLU 117 9.244 -18.765 -2.661 864 1HG GLU 117 1HG GLU 117 10.298 -18.250 -4.803 865 2HG GLU 117 2HG GLU 117 10.103 -19.996 -4.660 866 H LEU 118 H LEU 118 8.315 -20.580 -1.012 867 HA LEU 118 HA LEU 118 8.719 -19.299 1.539 868 1HB LEU 118 1HB LEU 118 6.605 -21.371 0.913 869 2HB LEU 118 2HB LEU 118 6.498 -19.703 0.348 870 HG LEU 118 HG LEU 118 7.101 -20.086 3.239 871 1HD1 LEU 118 1HD1 LEU 118 5.484 -18.221 1.504 872 2HD1 LEU 118 2HD1 LEU 118 6.862 -17.844 2.540 873 3HD1 LEU 118 3HD1 LEU 118 5.296 -18.224 3.258 874 1HD2 LEU 118 1HD2 LEU 118 4.591 -20.322 3.653 875 2HD2 LEU 118 2HD2 LEU 118 5.404 -21.768 3.057 876 3HD2 LEU 118 3HD2 LEU 118 4.446 -20.779 1.956 877 H GLY 119 H GLY 119 9.133 -22.630 0.433 878 1HA GLY 119 1HA GLY 119 10.058 -24.492 1.510 879 2HA GLY 119 2HA GLY 119 9.134 -23.983 2.919 880 H GLU 120 H GLU 120 11.907 -22.480 1.196 881 HA GLU 120 HA GLU 120 13.817 -23.057 3.268 882 1HB GLU 120 1HB GLU 120 15.032 -21.020 2.174 883 2HB GLU 120 2HB GLU 120 13.742 -21.110 0.971 884 1HG GLU 120 1HG GLU 120 14.403 -23.238 0.242 885 2HG GLU 120 2HG GLU 120 15.251 -23.599 1.747 886 H ILE 121 H ILE 121 11.598 -20.332 2.727 887 HA ILE 121 HA ILE 121 12.690 -18.573 4.699 888 HB ILE 121 HB ILE 121 9.822 -18.869 3.738 889 1HG1 ILE 121 1HG1 ILE 121 11.751 -18.272 2.098 890 2HG1 ILE 121 2HG1 ILE 121 11.816 -16.736 2.961 891 1HG2 ILE 121 1HG2 ILE 121 11.199 -16.696 5.346 892 2HG2 ILE 121 2HG2 ILE 121 9.817 -17.675 5.841 893 3HG2 ILE 121 3HG2 ILE 121 9.637 -16.484 4.553 894 1HD1 ILE 121 1HD1 ILE 121 9.083 -17.518 2.248 895 2HD1 ILE 121 2HD1 ILE 121 10.127 -17.326 0.840 896 3HD1 ILE 121 3HD1 ILE 121 9.922 -15.991 1.972 897 H LEU 122 H LEU 122 10.219 -21.152 4.944 898 HA LEU 122 HA LEU 122 9.682 -20.705 7.751 899 1HB LEU 122 1HB LEU 122 8.905 -23.235 7.487 900 2HB LEU 122 2HB LEU 122 9.076 -22.869 5.770 901 HG LEU 122 HG LEU 122 7.729 -20.668 6.528 902 1HD1 LEU 122 1HD1 LEU 122 6.782 -23.408 5.731 903 2HD1 LEU 122 2HD1 LEU 122 6.820 -21.924 4.779 904 3HD1 LEU 122 3HD1 LEU 122 5.603 -22.133 6.039 905 1HD2 LEU 122 1HD2 LEU 122 6.836 -22.855 8.438 906 2HD2 LEU 122 2HD2 LEU 122 5.995 -21.327 8.182 907 3HD2 LEU 122 3HD2 LEU 122 7.608 -21.336 8.894 908 NH1 ARG 123 NH1 ARG 123 12.264 -28.464 10.052 909 NH2 ARG 123 NH2 ARG 123 12.888 -29.910 8.421 910 H ARG 123 H ARG 123 11.866 -22.929 6.000 911 HA ARG 123 HA ARG 123 12.800 -24.271 8.389 912 1HB ARG 123 1HB ARG 123 14.789 -24.822 6.757 913 2HB ARG 123 2HB ARG 123 13.737 -24.107 5.537 914 1HG ARG 123 1HG ARG 123 13.129 -26.376 5.474 915 2HG ARG 123 2HG ARG 123 11.910 -25.684 6.542 916 1HD ARG 123 1HD ARG 123 13.677 -26.272 8.423 917 2HD ARG 123 2HD ARG 123 14.271 -27.414 7.219 918 HE ARG 123 HE ARG 123 11.434 -27.705 7.442 919 1HH1 ARG 123 1HH1 ARG 123 13.029 -30.626 9.106 920 2HH1 ARG 123 2HH1 ARG 123 13.057 -30.106 7.454 921 1HH2 ARG 123 1HH2 ARG 123 11.957 -27.555 10.330 922 2HH2 ARG 123 2HH2 ARG 123 12.400 -29.177 10.741 923 H ALA 124 H ALA 124 13.903 -21.422 6.581 924 HA ALA 124 HA ALA 124 16.444 -21.085 7.805 925 1HB ALA 124 1HB ALA 124 16.131 -18.651 7.205 926 2HB ALA 124 2HB ALA 124 14.490 -19.051 6.702 927 3HB ALA 124 3HB ALA 124 15.868 -19.773 5.872 928 H THR 125 H THR 125 13.229 -20.406 9.084 929 HA THR 125 HA THR 125 14.007 -18.546 11.126 930 HB THR 125 HB THR 125 11.885 -19.092 12.206 931 HG1 THR 125 HG1 THR 125 10.932 -20.944 11.900 932 1HG2 THR 125 1HG2 THR 125 11.174 -19.350 9.319 933 2HG2 THR 125 2HG2 THR 125 12.108 -17.937 9.810 934 3HG2 THR 125 3HG2 THR 125 10.533 -18.251 10.540 935 H GLY 126 H GLY 126 14.037 -22.091 11.014 936 1HA GLY 126 1HA GLY 126 15.490 -22.053 13.626 937 2HA GLY 126 2HA GLY 126 15.726 -23.270 12.373 938 H GLU 127 H GLU 127 12.462 -22.237 13.046 939 HA GLU 127 HA GLU 127 11.794 -24.054 15.146 940 1HB GLU 127 1HB GLU 127 9.445 -23.848 13.837 941 2HB GLU 127 2HB GLU 127 10.297 -22.491 13.101 942 1HG GLU 127 1HG GLU 127 10.879 -21.718 15.444 943 2HG GLU 127 2HG GLU 127 9.790 -22.965 16.053 944 H HIS 128 H HIS 128 10.823 -26.142 15.055 945 HA HIS 128 HA HIS 128 11.720 -27.779 12.787 946 1HB HIS 128 1HB HIS 128 10.713 -29.656 14.179 947 2HB HIS 128 2HB HIS 128 10.325 -28.440 15.395 948 HD1 HIS 128 HD1 HIS 128 12.299 -27.364 16.693 949 HD2 HIS 128 HD2 HIS 128 13.492 -30.246 13.927 950 HE1 HIS 128 HE1 HIS 128 14.729 -27.872 17.192 951 H VAL 129 H VAL 129 10.277 -26.746 11.186 952 HA VAL 129 HA VAL 129 7.386 -27.303 11.484 953 HB VAL 129 HB VAL 129 8.049 -25.130 10.565 954 1HG1 VAL 129 1HG1 VAL 129 10.150 -25.638 9.510 955 2HG1 VAL 129 2HG1 VAL 129 9.056 -25.089 8.241 956 3HG1 VAL 129 3HG1 VAL 129 9.389 -26.810 8.435 957 1HG2 VAL 129 1HG2 VAL 129 6.849 -26.816 8.359 958 2HG2 VAL 129 2HG2 VAL 129 6.577 -25.100 8.663 959 3HG2 VAL 129 3HG2 VAL 129 5.948 -26.305 9.787 960 H ILE 130 H ILE 130 6.230 -28.511 9.857 961 HA ILE 130 HA ILE 130 7.903 -30.669 8.642 962 HB ILE 130 HB ILE 130 5.426 -31.696 8.464 963 1HG1 ILE 130 1HG1 ILE 130 4.563 -29.538 9.614 964 2HG1 ILE 130 2HG1 ILE 130 5.259 -30.212 11.088 965 1HG2 ILE 130 1HG2 ILE 130 7.550 -32.513 9.675 966 2HG2 ILE 130 2HG2 ILE 130 5.999 -33.064 10.309 967 3HG2 ILE 130 3HG2 ILE 130 6.867 -31.757 11.115 968 1HD1 ILE 130 1HD1 ILE 130 2.877 -30.828 10.874 969 2HD1 ILE 130 2HD1 ILE 130 3.902 -32.259 10.783 970 3HD1 ILE 130 3HD1 ILE 130 3.208 -31.577 9.312 971 H GLU 131 H GLU 131 7.604 -31.220 6.456 972 HA GLU 131 HA GLU 131 6.711 -29.108 4.704 973 1HB GLU 131 1HB GLU 131 7.778 -31.879 4.387 974 2HB GLU 131 2HB GLU 131 8.284 -30.387 3.600 975 1HG GLU 131 1HG GLU 131 6.101 -30.485 2.285 976 2HG GLU 131 2HG GLU 131 5.892 -32.114 2.928 977 H GLU 132 H GLU 132 5.223 -32.041 5.999 978 HA GLU 132 HA GLU 132 2.939 -32.139 4.292 979 1HB GLU 132 1HB GLU 132 1.857 -33.324 6.253 980 2HB GLU 132 2HB GLU 132 3.318 -32.982 7.179 981 1HG GLU 132 1HG GLU 132 3.651 -35.169 6.297 982 2HG GLU 132 2HG GLU 132 4.601 -34.113 5.251 983 H ASP 133 H ASP 133 3.686 -30.158 7.139 984 HA ASP 133 HA ASP 133 0.954 -29.089 7.307 985 1HB ASP 133 1HB ASP 133 3.451 -27.947 8.587 986 2HB ASP 133 2HB ASP 133 2.560 -29.305 9.275 987 H ILE 134 H ILE 134 4.106 -28.002 6.043 988 HA ILE 134 HA ILE 134 3.209 -25.360 5.300 989 HB ILE 134 HB ILE 134 5.500 -26.998 4.157 990 1HG1 ILE 134 1HG1 ILE 134 5.417 -26.506 6.709 991 2HG1 ILE 134 2HG1 ILE 134 5.691 -24.827 6.251 992 1HG2 ILE 134 1HG2 ILE 134 4.898 -24.024 4.118 993 2HG2 ILE 134 2HG2 ILE 134 4.907 -25.106 2.725 994 3HG2 ILE 134 3HG2 ILE 134 6.411 -24.748 3.574 995 1HD1 ILE 134 1HD1 ILE 134 7.510 -27.195 5.982 996 2HD1 ILE 134 2HD1 ILE 134 7.883 -25.551 6.503 997 3HD1 ILE 134 3HD1 ILE 134 7.637 -25.899 4.792 998 H GLU 135 H GLU 135 3.566 -28.409 3.452 999 HA GLU 135 HA GLU 135 2.712 -27.390 0.930 1000 1HB GLU 135 1HB GLU 135 1.931 -30.166 1.626 1001 2HB GLU 135 2HB GLU 135 3.643 -29.789 1.797 1002 1HG GLU 135 1HG GLU 135 2.635 -28.663 -0.666 1003 2HG GLU 135 2HG GLU 135 2.250 -30.384 -0.591 1004 H ASP 136 H ASP 136 0.866 -28.840 3.618 1005 HA ASP 136 HA ASP 136 -1.693 -28.779 2.335 1006 1HB ASP 136 1HB ASP 136 -1.884 -28.357 5.196 1007 2HB ASP 136 2HB ASP 136 -0.675 -29.588 4.831 1008 H LEU 137 H LEU 137 -0.020 -26.420 4.429 1009 HA LEU 137 HA LEU 137 -2.101 -24.516 4.670 1010 1HB LEU 137 1HB LEU 137 0.836 -23.840 4.357 1011 2HB LEU 137 2HB LEU 137 0.165 -24.521 5.838 1012 HG LEU 137 HG LEU 137 -1.079 -22.078 4.596 1013 1HD1 LEU 137 1HD1 LEU 137 -0.770 -22.868 7.503 1014 2HD1 LEU 137 2HD1 LEU 137 -2.117 -23.429 6.511 1015 3HD1 LEU 137 3HD1 LEU 137 -1.900 -21.705 6.811 1016 1HD2 LEU 137 1HD2 LEU 137 0.393 -20.688 6.014 1017 2HD2 LEU 137 2HD2 LEU 137 1.335 -21.595 4.831 1018 3HD2 LEU 137 3HD2 LEU 137 1.278 -22.130 6.511 1019 H MET 138 H MET 138 0.307 -24.955 2.073 1020 HA MET 138 HA MET 138 -0.457 -22.636 0.547 1021 1HB MET 138 1HB MET 138 0.705 -25.205 -0.569 1022 2HB MET 138 2HB MET 138 1.681 -24.003 0.275 1023 1HG MET 138 1HG MET 138 -0.054 -23.353 -2.124 1024 2HG MET 138 2HG MET 138 1.654 -23.771 -2.251 1025 1HE MET 138 1HE MET 138 3.388 -21.936 -2.420 1026 2HE MET 138 2HE MET 138 2.730 -20.320 -2.661 1027 3HE MET 138 3HE MET 138 2.020 -21.690 -3.510 1028 H LYS 139 H LYS 139 -1.257 -26.107 0.088 1029 HA LYS 139 HA LYS 139 -3.129 -25.675 -2.029 1030 1HB LYS 139 1HB LYS 139 -2.085 -27.865 -1.536 1031 2HB LYS 139 2HB LYS 139 -3.841 -27.979 -1.627 1032 1HG LYS 139 1HG LYS 139 -3.656 -27.529 0.993 1033 2HG LYS 139 2HG LYS 139 -2.040 -28.191 0.757 1034 1HD LYS 139 1HD LYS 139 -4.383 -29.637 -0.436 1035 2HD LYS 139 2HD LYS 139 -4.083 -29.788 1.296 1036 1HE LYS 139 1HE LYS 139 -2.012 -30.828 0.976 1037 2HE LYS 139 2HE LYS 139 -1.815 -30.160 -0.643 1038 1HZ LYS 139 1HZ LYS 139 -3.577 -31.595 -1.430 1039 2HZ LYS 139 2HZ LYS 139 -3.811 -32.220 0.133 1040 3HZ LYS 139 3HZ LYS 139 -2.360 -32.521 -0.697 1041 H ASP 140 H ASP 140 -3.477 -24.944 1.301 1042 HA ASP 140 HA ASP 140 -6.440 -25.178 1.158 1043 1HB ASP 140 1HB ASP 140 -6.114 -24.369 3.655 1044 2HB ASP 140 2HB ASP 140 -4.462 -24.935 3.403 1045 H SER 141 H SER 141 -3.846 -22.825 1.152 1046 HA SER 141 HA SER 141 -5.597 -20.568 1.782 1047 1HB SER 141 1HB SER 141 -3.305 -20.332 2.439 1048 2HB SER 141 2HB SER 141 -3.562 -19.215 1.102 1049 HG SER 141 HG SER 141 -2.164 -20.264 -0.022 1050 H ASP 142 H ASP 142 -4.221 -22.012 -1.183 1051 HA ASP 142 HA ASP 142 -5.183 -19.862 -2.870 1052 1HB ASP 142 1HB ASP 142 -3.458 -20.971 -3.938 1053 2HB ASP 142 2HB ASP 142 -4.848 -21.720 -4.695 1054 H LYS 143 H LYS 143 -7.342 -19.492 -2.889 1055 HA LYS 143 HA LYS 143 -9.344 -21.571 -2.624 1056 1HB LYS 143 1HB LYS 143 -10.880 -19.665 -3.443 1057 2HB LYS 143 2HB LYS 143 -9.433 -18.657 -3.413 1058 1HG LYS 143 1HG LYS 143 -9.318 -19.932 -0.966 1059 2HG LYS 143 2HG LYS 143 -11.052 -19.691 -1.182 1060 1HD LYS 143 1HD LYS 143 -9.120 -17.442 -1.719 1061 2HD LYS 143 2HD LYS 143 -9.648 -17.787 -0.073 1062 1HE LYS 143 1HE LYS 143 -11.849 -17.192 -0.512 1063 2HE LYS 143 2HE LYS 143 -11.722 -17.582 -2.227 1064 1HZ LYS 143 1HZ LYS 143 -10.268 -15.639 -2.491 1065 2HZ LYS 143 2HZ LYS 143 -10.504 -15.246 -0.855 1066 3HZ LYS 143 3HZ LYS 143 -11.813 -15.212 -1.937 1067 H ASN 144 H ASN 144 -7.752 -19.989 -5.340 1068 HA ASN 144 HA ASN 144 -9.525 -21.337 -7.296 1069 1HB ASN 144 1HB ASN 144 -8.055 -20.101 -8.959 1070 2HB ASN 144 2HB ASN 144 -7.241 -19.364 -7.579 1071 1HD2 ASN 144 1HD2 ASN 144 -8.330 -17.424 -8.979 1072 2HD2 ASN 144 2HD2 ASN 144 -9.845 -16.922 -8.402 1073 H ASN 145 H ASN 145 -6.491 -21.803 -5.706 1074 HA ASN 145 HA ASN 145 -4.879 -23.465 -5.862 1075 1HB ASN 145 1HB ASN 145 -5.572 -25.552 -7.197 1076 2HB ASN 145 2HB ASN 145 -7.115 -24.736 -7.451 1077 1HD2 ASN 145 1HD2 ASN 145 -8.624 -24.805 -5.729 1078 2HD2 ASN 145 2HD2 ASN 145 -8.276 -25.432 -4.191 1079 H ASP 146 H ASP 146 -3.475 -22.005 -7.004 1080 HA ASP 146 HA ASP 146 -3.291 -22.534 -9.946 1081 1HB ASP 146 1HB ASP 146 -1.984 -20.323 -9.937 1082 2HB ASP 146 2HB ASP 146 -2.593 -20.096 -8.297 1083 H GLY 147 H GLY 147 -1.573 -22.540 -6.876 1084 1HA GLY 147 1HA GLY 147 0.840 -23.592 -8.298 1085 2HA GLY 147 2HA GLY 147 0.300 -24.192 -6.731 1086 NH1 ARG 148 NH1 ARG 148 4.263 -23.945 -9.607 1087 NH2 ARG 148 NH2 ARG 148 5.861 -22.973 -8.325 1088 H ARG 148 H ARG 148 0.531 -20.822 -7.881 1089 HA ARG 148 HA ARG 148 2.628 -20.325 -5.814 1090 1HB ARG 148 1HB ARG 148 2.992 -18.211 -7.235 1091 2HB ARG 148 2HB ARG 148 1.969 -18.987 -8.441 1092 1HG ARG 148 1HG ARG 148 4.260 -20.522 -7.259 1093 2HG ARG 148 2HG ARG 148 4.583 -19.319 -8.503 1094 1HD ARG 148 1HD ARG 148 2.918 -20.439 -9.980 1095 2HD ARG 148 2HD ARG 148 2.699 -21.682 -8.749 1096 HE ARG 148 HE ARG 148 5.128 -21.308 -10.412 1097 1HH1 ARG 148 1HH1 ARG 148 6.106 -23.867 -7.950 1098 2HH1 ARG 148 2HH1 ARG 148 6.349 -22.155 -8.023 1099 1HH2 ARG 148 1HH2 ARG 148 3.531 -23.868 -10.285 1100 2HH2 ARG 148 2HH2 ARG 148 4.507 -24.841 -9.234 1101 H ILE 149 H ILE 149 2.514 -17.972 -4.981 1102 HA ILE 149 HA ILE 149 -0.330 -17.361 -4.281 1103 HB ILE 149 HB ILE 149 2.252 -16.569 -2.884 1104 1HG1 ILE 149 1HG1 ILE 149 1.289 -19.008 -2.779 1105 2HG1 ILE 149 2HG1 ILE 149 0.057 -18.288 -1.741 1106 1HG2 ILE 149 1HG2 ILE 149 0.709 -14.804 -2.482 1107 2HG2 ILE 149 2HG2 ILE 149 0.550 -15.858 -1.077 1108 3HG2 ILE 149 3HG2 ILE 149 -0.656 -15.915 -2.362 1109 1HD1 ILE 149 1HD1 ILE 149 3.024 -18.517 -1.285 1110 2HD1 ILE 149 2HD1 ILE 149 1.700 -18.931 -0.196 1111 3HD1 ILE 149 3HD1 ILE 149 2.106 -17.239 -0.486 1112 H ASP 150 H ASP 150 -1.195 -15.580 -5.227 1113 HA ASP 150 HA ASP 150 0.680 -13.600 -6.444 1114 1HB ASP 150 1HB ASP 150 -0.693 -14.331 -8.193 1115 2HB ASP 150 2HB ASP 150 -1.530 -12.880 -7.656 1116 H PHE 151 H PHE 151 -0.446 -11.315 -6.576 1117 HA PHE 151 HA PHE 151 -0.719 -10.351 -3.882 1118 1HB PHE 151 1HB PHE 151 -1.582 -8.928 -6.416 1119 2HB PHE 151 2HB PHE 151 0.087 -8.993 -5.850 1120 HD1 PHE 151 HD1 PHE 151 -2.816 -7.052 -5.819 1121 HD2 PHE 151 HD2 PHE 151 0.313 -8.408 -3.205 1122 HE1 PHE 151 HE1 PHE 151 -3.268 -5.154 -4.291 1123 HE2 PHE 151 HE2 PHE 151 -0.142 -6.509 -1.678 1124 HZ PHE 151 HZ PHE 151 -1.934 -4.882 -2.223 1125 H ASP 152 H ASP 152 -3.064 -11.457 -6.257 1126 HA ASP 152 HA ASP 152 -5.420 -10.253 -5.174 1127 1HB ASP 152 1HB ASP 152 -6.654 -12.021 -6.316 1128 2HB ASP 152 2HB ASP 152 -5.201 -13.005 -6.442 1129 H GLU 153 H GLU 153 -4.223 -13.591 -4.654 1130 HA GLU 153 HA GLU 153 -5.942 -14.106 -2.411 1131 1HB GLU 153 1HB GLU 153 -4.270 -15.985 -1.954 1132 2HB GLU 153 2HB GLU 153 -3.370 -15.399 -3.351 1133 1HG GLU 153 1HG GLU 153 -4.836 -17.180 -4.095 1134 2HG GLU 153 2HG GLU 153 -5.468 -15.659 -4.722 1135 H PHE 154 H PHE 154 -2.749 -12.621 -2.695 1136 HA PHE 154 HA PHE 154 -1.840 -12.788 -0.025 1137 1HB PHE 154 1HB PHE 154 -1.547 -10.368 -1.833 1138 2HB PHE 154 2HB PHE 154 -0.572 -11.828 -1.991 1139 HD1 PHE 154 HD1 PHE 154 1.045 -12.465 -0.237 1140 HD2 PHE 154 HD2 PHE 154 -1.231 -8.829 0.033 1141 HE1 PHE 154 HE1 PHE 154 2.572 -11.637 1.531 1142 HE2 PHE 154 HE2 PHE 154 0.300 -8.010 1.802 1143 HZ PHE 154 HZ PHE 154 2.201 -9.409 2.549 1144 H LEU 155 H LEU 155 -4.282 -10.640 -1.452 1145 HA LEU 155 HA LEU 155 -4.530 -8.755 0.655 1146 1HB LEU 155 1HB LEU 155 -6.849 -8.420 -0.166 1147 2HB LEU 155 2HB LEU 155 -6.702 -9.877 -1.146 1148 HG LEU 155 HG LEU 155 -4.723 -8.814 -2.289 1149 1HD1 LEU 155 1HD1 LEU 155 -7.169 -8.738 -3.090 1150 2HD1 LEU 155 2HD1 LEU 155 -6.058 -7.565 -3.797 1151 3HD1 LEU 155 3HD1 LEU 155 -7.174 -7.067 -2.525 1152 1HD2 LEU 155 1HD2 LEU 155 -4.435 -6.377 -2.045 1153 2HD2 LEU 155 2HD2 LEU 155 -4.183 -7.183 -0.497 1154 3HD2 LEU 155 3HD2 LEU 155 -5.700 -6.342 -0.818 1155 H LYS 156 H LYS 156 -6.540 -11.696 0.141 1156 HA LYS 156 HA LYS 156 -7.710 -11.557 2.788 1157 1HB LYS 156 1HB LYS 156 -7.495 -14.069 1.119 1158 2HB LYS 156 2HB LYS 156 -8.638 -12.787 0.721 1159 1HG LYS 156 1HG LYS 156 -9.183 -13.047 3.351 1160 2HG LYS 156 2HG LYS 156 -8.633 -14.689 3.017 1161 1HD LYS 156 1HD LYS 156 -10.265 -14.880 1.190 1162 2HD LYS 156 2HD LYS 156 -10.789 -13.218 1.463 1163 1HE LYS 156 1HE LYS 156 -10.879 -15.288 3.666 1164 2HE LYS 156 2HE LYS 156 -12.209 -15.099 2.525 1165 1HZ LYS 156 1HZ LYS 156 -12.718 -13.735 4.348 1166 2HZ LYS 156 2HZ LYS 156 -12.173 -12.674 3.140 1167 3HZ LYS 156 3HZ LYS 156 -11.150 -13.095 4.430 1168 H MET 157 H MET 157 -4.765 -12.941 1.497 1169 HA MET 157 HA MET 157 -4.188 -14.879 3.493 1170 1HB MET 157 1HB MET 157 -1.857 -13.369 2.526 1171 2HB MET 157 2HB MET 157 -2.916 -13.930 1.233 1172 1HG MET 157 1HG MET 157 -2.478 -16.138 1.652 1173 2HG MET 157 2HG MET 157 -2.330 -15.883 3.389 1174 1HE MET 157 1HE MET 157 0.523 -13.660 3.631 1175 2HE MET 157 2HE MET 157 0.807 -15.224 4.391 1176 3HE MET 157 3HE MET 157 -0.813 -14.533 4.396 1177 H MET 158 H MET 158 -3.538 -11.368 3.415 1178 HA MET 158 HA MET 158 -2.925 -11.535 6.331 1179 1HB MET 158 1HB MET 158 -1.714 -9.425 4.553 1180 2HB MET 158 2HB MET 158 -0.960 -11.015 4.675 1181 1HG MET 158 1HG MET 158 -1.224 -10.612 7.267 1182 2HG MET 158 2HG MET 158 -1.319 -8.917 6.793 1183 1HE MET 158 1HE MET 158 2.177 -11.774 6.812 1184 2HE MET 158 2HE MET 158 0.941 -12.130 5.609 1185 3HE MET 158 3HE MET 158 0.495 -12.002 7.308 1186 H GLU 159 H GLU 159 -4.655 -10.614 7.327 1187 HA GLU 159 HA GLU 159 -6.480 -8.802 6.051 1188 1HB GLU 159 1HB GLU 159 -6.167 -8.861 9.034 1189 2HB GLU 159 2HB GLU 159 -6.739 -10.307 8.204 1190 1HG GLU 159 1HG GLU 159 -8.428 -8.740 7.035 1191 2HG GLU 159 2HG GLU 159 -8.002 -7.563 8.278 1192 H GLY 160 H GLY 160 -3.379 -8.273 7.471 1193 1HA GLY 160 1HA GLY 160 -3.362 -5.491 6.776 1194 2HA GLY 160 2HA GLY 160 -2.134 -6.307 7.742 1195 H VAL 161 H VAL 161 -3.784 -7.158 9.911 1196 HA VAL 161 HA VAL 161 -4.689 -4.543 11.041 1197 HB VAL 161 HB VAL 161 -5.576 -7.307 11.924 1198 1HG1 VAL 161 1HG1 VAL 161 -7.567 -5.636 12.590 1199 2HG1 VAL 161 2HG1 VAL 161 -6.229 -4.489 12.637 1200 3HG1 VAL 161 3HG1 VAL 161 -6.194 -5.929 13.656 1201 1HG2 VAL 161 1HG2 VAL 161 -7.670 -6.805 10.651 1202 2HG2 VAL 161 2HG2 VAL 161 -6.266 -6.981 9.598 1203 3HG2 VAL 161 3HG2 VAL 161 -6.884 -5.375 9.980 1204 H GLN 162 H GLN 162 -1.929 -5.504 11.062 1205 HA GLN 162 HA GLN 162 -1.544 -5.625 14.011 1206 1HB GLN 162 1HB GLN 162 0.447 -7.212 13.460 1207 2HB GLN 162 2HB GLN 162 -0.420 -7.522 11.955 1208 1HG GLN 162 1HG GLN 162 -2.251 -8.482 13.064 1209 2HG GLN 162 2HG GLN 162 -1.866 -7.688 14.590 1210 1HE2 GLN 162 1HE2 GLN 162 -0.864 -10.351 12.422 1211 2HE2 GLN 162 2HE2 GLN 162 0.011 -11.198 13.604 Start of MODEL 17 Raw file had 1211 H/Q atoms Start of MODEL 17 1 1H ALA 1 1H ALA 1 14.851 21.310 -4.713 2 2H ALA 1 2H ALA 1 14.779 23.002 -4.570 3 3H ALA 1 3H ALA 1 16.279 22.206 -4.519 4 HA ALA 1 HA ALA 1 15.942 23.267 -6.667 5 1HB ALA 1 1HB ALA 1 15.686 20.265 -6.957 6 2HB ALA 1 2HB ALA 1 17.163 21.040 -6.386 7 3HB ALA 1 3HB ALA 1 16.557 21.385 -8.005 8 H SER 2 H SER 2 14.665 23.430 -8.600 9 HA SER 2 HA SER 2 11.815 22.626 -8.202 10 1HB SER 2 1HB SER 2 11.537 24.424 -10.105 11 2HB SER 2 2HB SER 2 13.135 24.945 -9.580 12 HG SER 2 HG SER 2 12.377 25.501 -7.657 13 H MET 3 H MET 3 11.844 20.568 -9.128 14 HA MET 3 HA MET 3 12.967 20.241 -11.852 15 1HB MET 3 1HB MET 3 13.424 18.465 -10.221 16 2HB MET 3 2HB MET 3 12.434 17.841 -11.538 17 1HG MET 3 1HG MET 3 10.913 17.163 -10.020 18 2HG MET 3 2HG MET 3 10.637 18.847 -9.581 19 1HE MET 3 1HE MET 3 10.930 17.904 -6.011 20 2HE MET 3 2HE MET 3 9.986 17.135 -7.285 21 3HE MET 3 3HE MET 3 10.183 18.886 -7.278 22 H THR 4 H THR 4 9.881 20.650 -10.266 23 HA THR 4 HA THR 4 7.675 20.586 -11.046 24 HB THR 4 HB THR 4 7.295 21.869 -13.068 25 HG1 THR 4 HG1 THR 4 8.722 21.998 -14.618 26 1HG2 THR 4 1HG2 THR 4 9.793 23.037 -11.852 27 2HG2 THR 4 2HG2 THR 4 8.288 22.937 -10.940 28 3HG2 THR 4 3HG2 THR 4 8.354 23.879 -12.430 29 H ASP 5 H ASP 5 8.875 18.050 -11.257 30 HA ASP 5 HA ASP 5 8.298 16.965 -13.926 31 1HB ASP 5 1HB ASP 5 8.686 15.274 -11.463 32 2HB ASP 5 2HB ASP 5 10.062 16.125 -12.165 33 H GLN 6 H GLN 6 6.920 16.647 -10.642 34 HA GLN 6 HA GLN 6 4.605 15.140 -11.513 35 1HB GLN 6 1HB GLN 6 3.761 15.485 -9.265 36 2HB GLN 6 2HB GLN 6 4.886 16.816 -8.999 37 1HG GLN 6 1HG GLN 6 6.274 14.389 -9.835 38 2HG GLN 6 2HG GLN 6 5.327 14.124 -8.372 39 1HE2 GLN 6 1HE2 GLN 6 5.584 16.223 -6.778 40 2HE2 GLN 6 2HE2 GLN 6 7.193 16.712 -6.552 41 H GLN 7 H GLN 7 5.296 18.590 -11.027 42 HA GLN 7 HA GLN 7 2.565 19.485 -11.341 43 1HB GLN 7 1HB GLN 7 3.688 21.719 -11.825 44 2HB GLN 7 2HB GLN 7 5.232 20.887 -11.632 45 1HG GLN 7 1HG GLN 7 4.576 20.201 -9.352 46 2HG GLN 7 2HG GLN 7 3.027 21.021 -9.549 47 1HE2 GLN 7 1HE2 GLN 7 6.152 21.449 -8.339 48 2HE2 GLN 7 2HE2 GLN 7 6.191 23.146 -8.326 49 H ALA 8 H ALA 8 5.300 19.103 -13.603 50 HA ALA 8 HA ALA 8 3.899 20.203 -15.880 51 1HB ALA 8 1HB ALA 8 6.332 20.085 -15.860 52 2HB ALA 8 2HB ALA 8 5.716 19.127 -17.205 53 3HB ALA 8 3HB ALA 8 6.276 18.327 -15.737 54 H GLU 9 H GLU 9 3.352 17.291 -14.223 55 HA GLU 9 HA GLU 9 2.274 16.000 -16.692 56 1HB GLU 9 1HB GLU 9 2.297 13.898 -15.237 57 2HB GLU 9 2HB GLU 9 3.236 14.831 -14.071 58 1HG GLU 9 1HG GLU 9 4.901 15.312 -15.882 59 2HG GLU 9 2HG GLU 9 3.992 14.246 -16.953 60 H ALA 10 H ALA 10 1.562 16.473 -13.209 61 HA ALA 10 HA ALA 10 -1.158 15.583 -13.364 62 1HB ALA 10 1HB ALA 10 -1.432 16.998 -11.256 63 2HB ALA 10 2HB ALA 10 0.259 17.457 -11.454 64 3HB ALA 10 3HB ALA 10 -0.170 15.768 -11.188 65 NH1 ARG 11 NH1 ARG 11 -2.032 24.702 -16.320 66 NH2 ARG 11 NH2 ARG 11 -0.002 23.868 -16.890 67 H ARG 11 H ARG 11 0.394 18.613 -14.209 68 HA ARG 11 HA ARG 11 -1.996 20.242 -14.246 69 1HB ARG 11 1HB ARG 11 -0.489 21.556 -15.986 70 2HB ARG 11 2HB ARG 11 0.771 20.481 -15.384 71 1HG ARG 11 1HG ARG 11 0.955 22.256 -13.886 72 2HG ARG 11 2HG ARG 11 -0.171 21.211 -13.021 73 1HD ARG 11 1HD ARG 11 -1.292 23.249 -12.915 74 2HD ARG 11 2HD ARG 11 -1.987 22.568 -14.386 75 HE ARG 11 HE ARG 11 0.009 24.762 -14.272 76 1HH1 ARG 11 1HH1 ARG 11 -2.265 24.799 -17.288 77 2HH1 ARG 11 2HH1 ARG 11 -2.690 24.973 -15.617 78 1HH2 ARG 11 1HH2 ARG 11 0.889 23.501 -16.624 79 2HH2 ARG 11 2HH2 ARG 11 -0.233 23.963 -17.859 80 H ALA 12 H ALA 12 -0.230 18.402 -16.753 81 HA ALA 12 HA ALA 12 -2.097 19.055 -18.869 82 1HB ALA 12 1HB ALA 12 0.215 18.307 -19.331 83 2HB ALA 12 2HB ALA 12 -0.963 17.261 -20.121 84 3HB ALA 12 3HB ALA 12 -0.163 16.727 -18.643 85 H PHE 13 H PHE 13 -2.105 16.711 -16.280 86 HA PHE 13 HA PHE 13 -3.986 14.880 -17.541 87 1HB PHE 13 1HB PHE 13 -3.506 15.159 -14.569 88 2HB PHE 13 2HB PHE 13 -2.355 14.345 -15.630 89 HD1 PHE 13 HD1 PHE 13 -5.746 14.230 -14.179 90 HD2 PHE 13 HD2 PHE 13 -2.910 12.223 -16.706 91 HE1 PHE 13 HE1 PHE 13 -7.134 12.176 -14.106 92 HE2 PHE 13 HE2 PHE 13 -4.298 10.170 -16.632 93 HZ PHE 13 HZ PHE 13 -6.410 10.146 -15.332 94 H LEU 14 H LEU 14 -4.310 17.427 -15.019 95 HA LEU 14 HA LEU 14 -7.256 17.375 -15.566 96 1HB LEU 14 1HB LEU 14 -7.044 16.690 -13.314 97 2HB LEU 14 2HB LEU 14 -7.428 18.408 -13.212 98 HG LEU 14 HG LEU 14 -4.651 18.381 -13.384 99 1HD1 LEU 14 1HD1 LEU 14 -5.209 18.475 -10.663 100 2HD1 LEU 14 2HD1 LEU 14 -6.729 18.964 -11.413 101 3HD1 LEU 14 3HD1 LEU 14 -5.245 19.845 -11.772 102 1HD2 LEU 14 1HD2 LEU 14 -5.556 16.186 -11.494 103 2HD2 LEU 14 2HD2 LEU 14 -3.903 16.759 -11.715 104 3HD2 LEU 14 3HD2 LEU 14 -4.725 15.908 -13.024 105 H SER 15 H SER 15 -8.038 19.171 -16.484 106 HA SER 15 HA SER 15 -6.383 21.605 -16.638 107 1HB SER 15 1HB SER 15 -8.059 22.411 -18.197 108 2HB SER 15 2HB SER 15 -9.179 21.138 -17.720 109 HG SER 15 HG SER 15 -6.968 21.016 -19.373 110 H GLU 16 H GLU 16 -8.225 23.659 -16.520 111 HA GLU 16 HA GLU 16 -8.585 24.067 -13.711 112 1HB GLU 16 1HB GLU 16 -10.241 25.529 -15.756 113 2HB GLU 16 2HB GLU 16 -8.498 25.781 -15.701 114 1HG GLU 16 1HG GLU 16 -9.037 27.375 -14.157 115 2HG GLU 16 2HG GLU 16 -9.110 26.000 -13.055 116 H GLU 17 H GLU 17 -10.684 22.639 -16.150 117 HA GLU 17 HA GLU 17 -13.159 22.826 -14.709 118 1HB GLU 17 1HB GLU 17 -13.157 20.423 -16.227 119 2HB GLU 17 2HB GLU 17 -12.207 21.598 -17.136 120 1HG GLU 17 1HG GLU 17 -14.392 22.044 -17.868 121 2HG GLU 17 2HG GLU 17 -14.175 23.234 -16.584 122 H MET 18 H MET 18 -10.691 20.241 -14.888 123 HA MET 18 HA MET 18 -12.015 18.526 -12.968 124 1HB MET 18 1HB MET 18 -9.157 18.152 -12.993 125 2HB MET 18 2HB MET 18 -9.737 18.367 -14.640 126 1HG MET 18 1HG MET 18 -11.171 16.513 -12.749 127 2HG MET 18 2HG MET 18 -9.742 15.965 -13.624 128 1HE MET 18 1HE MET 18 -13.124 15.624 -13.449 129 2HE MET 18 2HE MET 18 -13.931 15.972 -14.975 130 3HE MET 18 3HE MET 18 -13.449 17.298 -13.921 131 H ILE 19 H ILE 19 -9.311 20.828 -12.771 132 HA ILE 19 HA ILE 19 -8.594 20.539 -10.069 133 HB ILE 19 HB ILE 19 -8.702 23.044 -11.775 134 1HG1 ILE 19 1HG1 ILE 19 -7.186 21.001 -12.332 135 2HG1 ILE 19 2HG1 ILE 19 -6.267 21.485 -10.906 136 1HG2 ILE 19 1HG2 ILE 19 -7.594 22.553 -9.006 137 2HG2 ILE 19 2HG2 ILE 19 -8.658 23.854 -9.542 138 3HG2 ILE 19 3HG2 ILE 19 -6.966 23.837 -10.040 139 1HD1 ILE 19 1HD1 ILE 19 -6.072 23.786 -11.894 140 2HD1 ILE 19 2HD1 ILE 19 -6.842 23.174 -13.358 141 3HD1 ILE 19 3HD1 ILE 19 -5.274 22.541 -12.857 142 H ALA 20 H ALA 20 -11.312 22.405 -11.437 143 HA ALA 20 HA ALA 20 -12.128 23.700 -9.026 144 1HB ALA 20 1HB ALA 20 -13.721 22.812 -11.444 145 2HB ALA 20 2HB ALA 20 -13.070 24.420 -11.124 146 3HB ALA 20 3HB ALA 20 -14.392 23.793 -10.141 147 H GLU 21 H GLU 21 -13.098 20.532 -10.405 148 HA GLU 21 HA GLU 21 -14.964 19.867 -8.325 149 1HB GLU 21 1HB GLU 21 -13.333 17.729 -9.665 150 2HB GLU 21 2HB GLU 21 -14.442 18.684 -10.649 151 1HG GLU 21 1HG GLU 21 -16.061 17.258 -9.964 152 2HG GLU 21 2HG GLU 21 -15.945 18.041 -8.389 153 H PHE 22 H PHE 22 -11.466 19.307 -8.681 154 HA PHE 22 HA PHE 22 -11.167 17.773 -6.263 155 1HB PHE 22 1HB PHE 22 -8.789 18.184 -6.489 156 2HB PHE 22 2HB PHE 22 -9.077 19.550 -7.560 157 HD1 PHE 22 HD1 PHE 22 -10.842 16.256 -7.610 158 HD2 PHE 22 HD2 PHE 22 -7.995 18.817 -9.561 159 HE1 PHE 22 HE1 PHE 22 -10.794 14.723 -9.554 160 HE2 PHE 22 HE2 PHE 22 -7.953 17.283 -11.502 161 HZ PHE 22 HZ PHE 22 -9.350 15.237 -11.501 162 H LYS 23 H LYS 23 -11.354 21.227 -6.934 163 HA LYS 23 HA LYS 23 -10.283 22.202 -4.467 164 1HB LYS 23 1HB LYS 23 -12.556 23.671 -5.718 165 2HB LYS 23 2HB LYS 23 -11.125 23.415 -6.717 166 1HG LYS 23 1HG LYS 23 -9.895 24.221 -4.475 167 2HG LYS 23 2HG LYS 23 -11.441 25.030 -4.222 168 1HD LYS 23 1HD LYS 23 -10.276 25.272 -6.946 169 2HD LYS 23 2HD LYS 23 -9.415 26.117 -5.661 170 1HE LYS 23 1HE LYS 23 -11.012 27.690 -6.452 171 2HE LYS 23 2HE LYS 23 -11.717 27.047 -4.969 172 1HZ LYS 23 1HZ LYS 23 -12.313 25.856 -7.609 173 2HZ LYS 23 2HZ LYS 23 -13.202 27.173 -7.007 174 3HZ LYS 23 3HZ LYS 23 -13.180 25.701 -6.159 175 H ALA 24 H ALA 24 -13.401 20.764 -5.258 176 HA ALA 24 HA ALA 24 -14.952 21.739 -3.081 177 1HB ALA 24 1HB ALA 24 -15.026 19.064 -4.503 178 2HB ALA 24 2HB ALA 24 -16.021 20.479 -4.854 179 3HB ALA 24 3HB ALA 24 -16.246 19.594 -3.346 180 H ALA 25 H ALA 25 -12.942 18.784 -3.276 181 HA ALA 25 HA ALA 25 -13.317 18.126 -0.474 182 1HB ALA 25 1HB ALA 25 -11.329 16.585 -0.907 183 2HB ALA 25 2HB ALA 25 -11.327 17.200 -2.560 184 3HB ALA 25 3HB ALA 25 -12.732 16.328 -1.946 185 H PHE 26 H PHE 26 -11.295 20.394 -2.114 186 HA PHE 26 HA PHE 26 -9.122 20.436 -0.215 187 1HB PHE 26 1HB PHE 26 -9.979 22.751 -1.955 188 2HB PHE 26 2HB PHE 26 -9.110 21.358 -2.601 189 HD1 PHE 26 HD1 PHE 26 -8.778 24.533 -1.028 190 HD2 PHE 26 HD2 PHE 26 -6.928 20.666 -1.308 191 HE1 PHE 26 HE1 PHE 26 -6.648 25.492 -0.204 192 HE2 PHE 26 HE2 PHE 26 -4.795 21.627 -0.485 193 HZ PHE 26 HZ PHE 26 -4.656 24.041 0.068 194 H ASP 27 H ASP 27 -12.204 22.259 -0.422 195 HA ASP 27 HA ASP 27 -11.502 24.170 1.584 196 1HB ASP 27 1HB ASP 27 -13.362 24.744 0.245 197 2HB ASP 27 2HB ASP 27 -14.006 24.488 1.862 198 H MET 28 H MET 28 -12.753 20.852 1.973 199 HA MET 28 HA MET 28 -13.521 21.218 4.725 200 1HB MET 28 1HB MET 28 -14.346 19.214 3.801 201 2HB MET 28 2HB MET 28 -13.083 18.686 4.899 202 1HG MET 28 1HG MET 28 -11.508 18.627 2.929 203 2HG MET 28 2HG MET 28 -12.900 18.927 1.891 204 1HE MET 28 1HE MET 28 -14.260 16.282 0.896 205 2HE MET 28 2HE MET 28 -14.679 17.849 1.585 206 3HE MET 28 3HE MET 28 -15.288 16.373 2.332 207 H PHE 29 H PHE 29 -10.482 20.046 3.270 208 HA PHE 29 HA PHE 29 -9.053 19.822 5.754 209 1HB PHE 29 1HB PHE 29 -7.045 20.311 4.064 210 2HB PHE 29 2HB PHE 29 -8.298 20.023 2.861 211 HD1 PHE 29 HD1 PHE 29 -6.206 18.526 5.467 212 HD2 PHE 29 HD2 PHE 29 -9.455 17.833 2.743 213 HE1 PHE 29 HE1 PHE 29 -5.960 16.081 5.795 214 HE2 PHE 29 HE2 PHE 29 -9.208 15.388 3.073 215 HZ PHE 29 HZ PHE 29 -7.460 14.512 4.597 216 H ASP 30 H ASP 30 -9.792 22.454 3.596 217 HA ASP 30 HA ASP 30 -8.003 24.362 4.949 218 1HB ASP 30 1HB ASP 30 -10.141 25.121 2.985 219 2HB ASP 30 2HB ASP 30 -8.688 24.298 2.422 220 H ALA 31 H ALA 31 -9.825 23.248 6.753 221 HA ALA 31 HA ALA 31 -12.257 24.669 7.142 222 1HB ALA 31 1HB ALA 31 -11.184 22.572 8.390 223 2HB ALA 31 2HB ALA 31 -12.382 23.593 9.186 224 3HB ALA 31 3HB ALA 31 -10.667 23.817 9.527 225 H ASP 32 H ASP 32 -8.957 25.650 7.673 226 HA ASP 32 HA ASP 32 -9.637 27.829 9.512 227 1HB ASP 32 1HB ASP 32 -7.418 26.692 9.584 228 2HB ASP 32 2HB ASP 32 -7.268 28.428 9.321 229 H GLY 33 H GLY 33 -9.179 27.396 6.036 230 1HA GLY 33 1HA GLY 33 -10.331 30.056 5.557 231 2HA GLY 33 2HA GLY 33 -9.939 28.856 4.324 232 H GLY 34 H GLY 34 -8.205 29.376 3.068 233 1HA GLY 34 1HA GLY 34 -5.707 30.334 4.071 234 2HA GLY 34 2HA GLY 34 -6.626 31.706 3.451 235 H GLY 35 H GLY 35 -6.211 28.318 2.324 236 1HA GLY 35 1HA GLY 35 -5.023 29.362 -0.196 237 2HA GLY 35 2HA GLY 35 -6.471 28.362 -0.311 238 H ASP 36 H ASP 36 -4.161 27.665 2.222 239 HA ASP 36 HA ASP 36 -3.390 25.175 0.759 240 1HB ASP 36 1HB ASP 36 -1.120 25.386 1.386 241 2HB ASP 36 2HB ASP 36 -1.472 26.612 2.592 242 H ILE 37 H ILE 37 -2.540 23.485 2.349 243 HA ILE 37 HA ILE 37 -4.171 23.616 4.854 244 HB ILE 37 HB ILE 37 -2.865 21.126 3.743 245 1HG1 ILE 37 1HG1 ILE 37 -5.052 20.628 2.636 246 2HG1 ILE 37 2HG1 ILE 37 -4.235 22.014 1.918 247 1HG2 ILE 37 1HG2 ILE 37 -5.094 21.764 5.671 248 2HG2 ILE 37 2HG2 ILE 37 -3.666 20.762 5.930 249 3HG2 ILE 37 3HG2 ILE 37 -4.981 20.177 4.911 250 1HD1 ILE 37 1HD1 ILE 37 -6.783 22.205 2.466 251 2HD1 ILE 37 2HD1 ILE 37 -5.727 23.554 2.888 252 3HD1 ILE 37 3HD1 ILE 37 -6.242 22.414 4.131 253 H SER 38 H SER 38 -3.130 22.869 6.859 254 HA SER 38 HA SER 38 -0.141 23.035 6.747 255 1HB SER 38 1HB SER 38 -0.241 24.197 8.954 256 2HB SER 38 2HB SER 38 -1.999 24.221 8.836 257 HG SER 38 HG SER 38 -1.919 25.737 7.375 258 H THR 39 H THR 39 0.671 22.268 9.125 259 HA THR 39 HA THR 39 -0.051 19.473 9.305 260 HB THR 39 HB THR 39 1.416 20.879 11.516 261 HG1 THR 39 HG1 THR 39 2.555 20.205 9.008 262 1HG2 THR 39 1HG2 THR 39 1.982 18.768 12.023 263 2HG2 THR 39 2HG2 THR 39 2.634 18.522 10.403 264 3HG2 THR 39 3HG2 THR 39 0.929 18.212 10.722 265 H LYS 40 H LYS 40 -0.777 22.320 11.327 266 HA LYS 40 HA LYS 40 -2.107 20.920 13.439 267 1HB LYS 40 1HB LYS 40 -2.947 23.025 14.143 268 2HB LYS 40 2HB LYS 40 -2.942 23.672 12.504 269 1HG LYS 40 1HG LYS 40 -0.580 23.869 12.474 270 2HG LYS 40 2HG LYS 40 -0.391 22.833 13.890 271 1HD LYS 40 1HD LYS 40 -1.725 24.618 15.169 272 2HD LYS 40 2HD LYS 40 -1.459 25.661 13.771 273 1HE LYS 40 1HE LYS 40 1.020 25.188 14.022 274 2HE LYS 40 2HE LYS 40 0.643 24.396 15.552 275 1HZ LYS 40 1HZ LYS 40 -0.348 26.449 16.338 276 2HZ LYS 40 2HZ LYS 40 -0.001 27.214 14.861 277 3HZ LYS 40 3HZ LYS 40 1.264 26.709 15.877 278 H GLU 41 H GLU 41 -3.383 22.427 10.468 279 HA GLU 41 HA GLU 41 -6.119 21.622 10.921 280 1HB GLU 41 1HB GLU 41 -6.241 22.020 8.355 281 2HB GLU 41 2HB GLU 41 -4.570 22.566 8.512 282 1HG GLU 41 1HG GLU 41 -5.679 24.570 8.860 283 2HG GLU 41 2HG GLU 41 -5.594 23.982 10.521 284 H LEU 42 H LEU 42 -3.334 20.026 9.458 285 HA LEU 42 HA LEU 42 -4.677 18.000 7.985 286 1HB LEU 42 1HB LEU 42 -2.074 17.607 9.455 287 2HB LEU 42 2HB LEU 42 -2.191 18.644 8.040 288 HG LEU 42 HG LEU 42 -3.045 15.738 8.100 289 1HD1 LEU 42 1HD1 LEU 42 -3.063 17.924 6.063 290 2HD1 LEU 42 2HD1 LEU 42 -4.203 16.599 6.296 291 3HD1 LEU 42 3HD1 LEU 42 -2.653 16.301 5.510 292 1HD2 LEU 42 1HD2 LEU 42 -0.672 16.711 6.578 293 2HD2 LEU 42 2HD2 LEU 42 -0.958 15.140 7.327 294 3HD2 LEU 42 3HD2 LEU 42 -0.497 16.522 8.322 295 H GLY 43 H GLY 43 -3.171 17.691 11.241 296 1HA GLY 43 1HA GLY 43 -3.738 16.301 13.042 297 2HA GLY 43 2HA GLY 43 -4.269 15.141 11.830 298 H THR 44 H THR 44 -5.743 18.299 11.872 299 HA THR 44 HA THR 44 -7.950 17.586 13.638 300 HB THR 44 HB THR 44 -7.856 19.784 11.543 301 HG1 THR 44 HG1 THR 44 -6.680 20.881 12.896 302 1HG2 THR 44 1HG2 THR 44 -9.592 20.822 12.831 303 2HG2 THR 44 2HG2 THR 44 -9.409 19.650 14.136 304 3HG2 THR 44 3HG2 THR 44 -10.085 19.146 12.588 305 H VAL 45 H VAL 45 -7.504 17.766 10.100 306 HA VAL 45 HA VAL 45 -10.185 16.873 9.478 307 HB VAL 45 HB VAL 45 -7.714 16.694 7.723 308 1HG1 VAL 45 1HG1 VAL 45 -10.693 16.587 7.246 309 2HG1 VAL 45 2HG1 VAL 45 -9.445 15.482 6.668 310 3HG1 VAL 45 3HG1 VAL 45 -9.591 17.092 5.966 311 1HG2 VAL 45 1HG2 VAL 45 -8.643 19.003 8.855 312 2HG2 VAL 45 2HG2 VAL 45 -9.626 18.935 7.393 313 3HG2 VAL 45 3HG2 VAL 45 -7.867 18.931 7.274 314 H MET 46 H MET 46 -7.085 15.182 10.017 315 HA MET 46 HA MET 46 -7.973 12.620 9.031 316 1HB MET 46 1HB MET 46 -6.089 11.695 10.326 317 2HB MET 46 2HB MET 46 -5.913 13.230 11.177 318 1HG MET 46 1HG MET 46 -5.446 14.364 9.055 319 2HG MET 46 2HG MET 46 -5.660 12.852 8.178 320 1HE MET 46 1HE MET 46 -2.886 13.627 7.250 321 2HE MET 46 2HE MET 46 -3.926 12.211 7.128 322 3HE MET 46 3HE MET 46 -2.247 12.021 7.627 323 NH1 ARG 47 NH1 ARG 47 -6.426 14.355 19.136 324 NH2 ARG 47 NH2 ARG 47 -8.349 13.184 18.872 325 H ARG 47 H ARG 47 -7.961 14.071 12.294 326 HA ARG 47 HA ARG 47 -9.157 11.877 13.666 327 1HB ARG 47 1HB ARG 47 -10.063 13.990 15.094 328 2HB ARG 47 2HB ARG 47 -8.775 14.775 14.177 329 1HG ARG 47 1HG ARG 47 -7.517 12.494 14.907 330 2HG ARG 47 2HG ARG 47 -8.615 12.679 16.269 331 1HD ARG 47 1HD ARG 47 -7.138 15.109 15.363 332 2HD ARG 47 2HD ARG 47 -6.213 13.873 16.215 333 HE ARG 47 HE ARG 47 -8.315 15.563 17.378 334 1HH1 ARG 47 1HH1 ARG 47 -6.234 13.852 19.979 335 2HH1 ARG 47 2HH1 ARG 47 -5.785 15.053 18.816 336 1HH2 ARG 47 1HH2 ARG 47 -9.179 12.990 18.348 337 2HH2 ARG 47 2HH2 ARG 47 -8.160 12.680 19.714 338 H MET 48 H MET 48 -10.599 14.289 11.541 339 HA MET 48 HA MET 48 -13.303 14.132 12.458 340 1HB MET 48 1HB MET 48 -13.873 14.747 10.056 341 2HB MET 48 2HB MET 48 -12.150 14.644 9.702 342 1HG MET 48 1HG MET 48 -11.648 16.535 10.932 343 2HG MET 48 2HG MET 48 -12.997 16.300 12.043 344 1HE MET 48 1HE MET 48 -14.096 18.308 12.218 345 2HE MET 48 2HE MET 48 -15.399 17.240 11.702 346 3HE MET 48 3HE MET 48 -15.295 18.872 11.046 347 H LEU 49 H LEU 49 -11.448 12.098 10.208 348 HA LEU 49 HA LEU 49 -13.736 10.385 9.585 349 1HB LEU 49 1HB LEU 49 -10.778 9.879 9.125 350 2HB LEU 49 2HB LEU 49 -11.820 10.758 8.008 351 HG LEU 49 HG LEU 49 -13.257 8.439 8.479 352 1HD1 LEU 49 1HD1 LEU 49 -13.057 9.367 6.289 353 2HD1 LEU 49 2HD1 LEU 49 -12.309 7.773 6.193 354 3HD1 LEU 49 3HD1 LEU 49 -11.299 9.214 6.306 355 1HD2 LEU 49 1HD2 LEU 49 -11.533 6.635 8.042 356 2HD2 LEU 49 2HD2 LEU 49 -11.446 7.348 9.652 357 3HD2 LEU 49 3HD2 LEU 49 -10.286 7.827 8.411 358 H GLY 50 H GLY 50 -11.172 10.455 11.997 359 1HA GLY 50 1HA GLY 50 -12.095 7.785 12.990 360 2HA GLY 50 2HA GLY 50 -11.821 9.142 14.079 361 H GLN 51 H GLN 51 -9.414 9.675 12.012 362 HA GLN 51 HA GLN 51 -7.569 7.536 12.861 363 1HB GLN 51 1HB GLN 51 -6.840 10.044 11.338 364 2HB GLN 51 2HB GLN 51 -7.588 8.665 10.535 365 1HG GLN 51 1HG GLN 51 -5.708 7.361 10.742 366 2HG GLN 51 2HG GLN 51 -5.256 8.072 12.287 367 1HE2 GLN 51 1HE2 GLN 51 -4.164 10.263 12.202 368 2HE2 GLN 51 2HE2 GLN 51 -3.341 10.713 10.789 369 H ASN 52 H ASN 52 -5.633 8.024 14.095 370 HA ASN 52 HA ASN 52 -5.912 10.475 15.787 371 1HB ASN 52 1HB ASN 52 -4.350 8.050 16.648 372 2HB ASN 52 2HB ASN 52 -6.105 8.055 16.804 373 1HD2 ASN 52 1HD2 ASN 52 -3.661 8.385 18.788 374 2HD2 ASN 52 2HD2 ASN 52 -4.147 9.693 19.752 375 HA PRO 53 HA PRO 53 -2.071 11.009 13.350 376 1HB PRO 53 1HB PRO 53 -3.073 12.583 12.012 377 2HB PRO 53 2HB PRO 53 -2.358 13.731 13.145 378 1HG PRO 53 1HG PRO 53 -5.059 13.581 12.667 379 2HG PRO 53 2HG PRO 53 -4.388 14.124 14.212 380 1HD PRO 53 1HD PRO 53 -5.732 11.566 13.532 381 2HD PRO 53 2HD PRO 53 -5.529 12.338 15.116 382 H THR 54 H THR 54 -0.040 11.796 14.106 383 HA THR 54 HA THR 54 -0.045 12.691 16.952 384 HB THR 54 HB THR 54 2.488 11.736 15.757 385 HG1 THR 54 HG1 THR 54 1.816 9.585 15.775 386 1HG2 THR 54 1HG2 THR 54 2.891 11.130 17.906 387 2HG2 THR 54 2HG2 THR 54 1.275 10.459 18.124 388 3HG2 THR 54 3HG2 THR 54 1.534 12.198 18.263 389 H LYS 55 H LYS 55 2.171 13.940 17.417 390 HA LYS 55 HA LYS 55 2.033 16.387 15.874 391 1HB LYS 55 1HB LYS 55 4.300 16.743 17.256 392 2HB LYS 55 2HB LYS 55 3.663 15.376 18.171 393 1HG LYS 55 1HG LYS 55 1.741 17.560 17.540 394 2HG LYS 55 2HG LYS 55 2.999 17.938 18.718 395 1HD LYS 55 1HD LYS 55 2.353 15.727 19.863 396 2HD LYS 55 2HD LYS 55 0.914 15.751 18.844 397 1HE LYS 55 1HE LYS 55 0.153 16.863 20.753 398 2HE LYS 55 2HE LYS 55 0.669 18.212 19.744 399 1HZ LYS 55 1HZ LYS 55 2.746 18.302 20.904 400 2HZ LYS 55 2HZ LYS 55 2.371 16.908 21.801 401 3HZ LYS 55 3HZ LYS 55 1.494 18.343 22.046 402 H GLU 56 H GLU 56 4.901 14.311 16.441 403 HA GLU 56 HA GLU 56 6.236 15.244 14.060 404 1HB GLU 56 1HB GLU 56 6.744 13.118 16.122 405 2HB GLU 56 2HB GLU 56 7.654 14.586 15.799 406 1HG GLU 56 1HG GLU 56 8.336 13.608 13.588 407 2HG GLU 56 2HG GLU 56 7.526 12.116 14.066 408 H GLU 57 H GLU 57 4.291 12.376 14.791 409 HA GLU 57 HA GLU 57 5.049 10.894 12.435 410 1HB GLU 57 1HB GLU 57 2.394 10.559 13.813 411 2HB GLU 57 2HB GLU 57 3.886 10.056 14.608 412 1HG GLU 57 1HG GLU 57 3.558 9.190 11.784 413 2HG GLU 57 2HG GLU 57 2.468 8.442 12.951 414 H LEU 58 H LEU 58 2.048 12.689 13.190 415 HA LEU 58 HA LEU 58 1.059 12.476 10.494 416 1HB LEU 58 1HB LEU 58 0.183 13.505 13.062 417 2HB LEU 58 2HB LEU 58 -0.777 12.902 11.729 418 HG LEU 58 HG LEU 58 0.348 15.563 11.254 419 1HD1 LEU 58 1HD1 LEU 58 -2.501 14.540 11.208 420 2HD1 LEU 58 2HD1 LEU 58 -1.383 14.389 9.853 421 3HD1 LEU 58 3HD1 LEU 58 -1.889 15.984 10.404 422 1HD2 LEU 58 1HD2 LEU 58 -0.081 16.300 13.373 423 2HD2 LEU 58 2HD2 LEU 58 -1.193 14.974 13.712 424 3HD2 LEU 58 3HD2 LEU 58 -1.738 16.366 12.777 425 H ASP 59 H ASP 59 3.233 14.687 12.084 426 HA ASP 59 HA ASP 59 3.010 16.858 10.164 427 1HB ASP 59 1HB ASP 59 5.240 16.115 12.088 428 2HB ASP 59 2HB ASP 59 3.943 17.266 12.394 429 H ALA 60 H ALA 60 4.966 13.933 10.467 430 HA ALA 60 HA ALA 60 6.835 14.515 8.355 431 1HB ALA 60 1HB ALA 60 5.920 12.003 9.738 432 2HB ALA 60 2HB ALA 60 7.514 12.756 9.749 433 3HB ALA 60 3HB ALA 60 6.955 11.895 8.315 434 H ILE 61 H ILE 61 3.559 13.301 8.409 435 HA ILE 61 HA ILE 61 3.365 12.083 5.863 436 HB ILE 61 HB ILE 61 1.475 13.507 7.712 437 1HG1 ILE 61 1HG1 ILE 61 2.312 11.043 7.825 438 2HG1 ILE 61 2HG1 ILE 61 1.204 10.765 6.482 439 1HG2 ILE 61 1HG2 ILE 61 -0.394 12.870 6.099 440 2HG2 ILE 61 2HG2 ILE 61 0.849 12.633 4.869 441 3HG2 ILE 61 3HG2 ILE 61 0.603 14.229 5.578 442 1HD1 ILE 61 1HD1 ILE 61 0.014 12.321 8.675 443 2HD1 ILE 61 2HD1 ILE 61 0.513 10.699 9.156 444 3HD1 ILE 61 3HD1 ILE 61 -0.621 10.913 7.823 445 H ILE 62 H ILE 62 3.283 15.521 6.787 446 HA ILE 62 HA ILE 62 2.677 16.427 4.068 447 HB ILE 62 HB ILE 62 3.719 18.022 6.433 448 1HG1 ILE 62 1HG1 ILE 62 1.583 16.813 6.905 449 2HG1 ILE 62 2HG1 ILE 62 0.863 17.591 5.498 450 1HG2 ILE 62 1HG2 ILE 62 2.372 18.800 3.827 451 2HG2 ILE 62 2HG2 ILE 62 3.996 19.239 4.357 452 3HG2 ILE 62 3HG2 ILE 62 2.589 19.908 5.182 453 1HD1 ILE 62 1HD1 ILE 62 1.396 18.679 8.177 454 2HD1 ILE 62 2HD1 ILE 62 0.248 19.221 6.952 455 3HD1 ILE 62 3HD1 ILE 62 1.934 19.731 6.869 456 H GLU 63 H GLU 63 5.556 16.162 6.143 457 HA GLU 63 HA GLU 63 7.445 17.528 4.564 458 1HB GLU 63 1HB GLU 63 8.684 15.155 5.574 459 2HB GLU 63 2HB GLU 63 7.494 15.695 6.759 460 1HG GLU 63 1HG GLU 63 9.396 16.927 7.361 461 2HG GLU 63 2HG GLU 63 8.520 18.059 6.331 462 H GLU 64 H GLU 64 6.305 14.169 4.272 463 HA GLU 64 HA GLU 64 8.072 13.422 2.131 464 1HB GLU 64 1HB GLU 64 5.455 12.110 2.044 465 2HB GLU 64 2HB GLU 64 6.137 12.134 3.671 466 1HG GLU 64 1HG GLU 64 7.024 10.159 2.720 467 2HG GLU 64 2HG GLU 64 8.330 11.331 2.534 468 H VAL 65 H VAL 65 4.865 14.934 2.197 469 HA VAL 65 HA VAL 65 4.426 14.830 -0.663 470 HB VAL 65 HB VAL 65 3.237 16.686 1.428 471 1HG1 VAL 65 1HG1 VAL 65 2.472 16.047 -1.431 472 2HG1 VAL 65 2HG1 VAL 65 2.833 17.628 -0.737 473 3HG1 VAL 65 3HG1 VAL 65 1.353 16.784 -0.285 474 1HG2 VAL 65 1HG2 VAL 65 1.502 15.104 1.698 475 2HG2 VAL 65 2HG2 VAL 65 2.960 14.114 1.659 476 3HG2 VAL 65 3HG2 VAL 65 1.940 14.239 0.226 477 H ASP 66 H ASP 66 6.134 17.046 1.470 478 HA ASP 66 HA ASP 66 6.301 19.254 -0.387 479 1HB ASP 66 1HB ASP 66 8.038 20.116 1.139 480 2HB ASP 66 2HB ASP 66 8.092 18.561 1.967 481 H GLU 67 H GLU 67 6.865 17.711 -2.221 482 HA GLU 67 HA GLU 67 9.429 16.449 -2.399 483 1HB GLU 67 1HB GLU 67 8.699 17.208 -5.008 484 2HB GLU 67 2HB GLU 67 7.176 16.957 -4.154 485 1HG GLU 67 1HG GLU 67 7.650 14.790 -4.872 486 2HG GLU 67 2HG GLU 67 8.387 14.782 -3.269 487 H ASP 68 H ASP 68 8.327 19.703 -3.379 488 HA ASP 68 HA ASP 68 10.993 20.428 -4.367 489 1HB ASP 68 1HB ASP 68 9.275 22.704 -3.858 490 2HB ASP 68 2HB ASP 68 8.376 21.438 -4.695 491 H GLY 69 H GLY 69 9.064 20.990 -1.430 492 1HA GLY 69 1HA GLY 69 11.486 22.253 -0.198 493 2HA GLY 69 2HA GLY 69 10.426 21.153 0.680 494 H SER 70 H SER 70 7.940 21.994 0.320 495 HA SER 70 HA SER 70 7.810 24.945 0.574 496 1HB SER 70 1HB SER 70 5.470 23.044 0.762 497 2HB SER 70 2HB SER 70 6.160 23.492 -0.795 498 HG SER 70 HG SER 70 5.573 25.545 -0.520 499 H GLY 71 H GLY 71 6.735 22.079 2.443 500 1HA GLY 71 1HA GLY 71 6.843 23.775 4.908 501 2HA GLY 71 2HA GLY 71 7.379 22.093 4.890 502 H THR 72 H THR 72 4.478 23.898 3.792 503 HA THR 72 HA THR 72 2.786 21.980 5.335 504 HB THR 72 HB THR 72 1.030 23.681 5.185 505 HG1 THR 72 HG1 THR 72 2.884 25.345 3.854 506 1HG2 THR 72 1HG2 THR 72 3.690 24.904 5.964 507 2HG2 THR 72 2HG2 THR 72 2.680 23.898 7.003 508 3HG2 THR 72 3HG2 THR 72 2.104 25.479 6.477 509 H ILE 73 H ILE 73 0.383 22.107 3.973 510 HA ILE 73 HA ILE 73 1.120 20.825 1.383 511 HB ILE 73 HB ILE 73 -1.676 20.864 2.469 512 1HG1 ILE 73 1HG1 ILE 73 -0.188 20.186 4.360 513 2HG1 ILE 73 2HG1 ILE 73 0.495 18.925 3.338 514 1HG2 ILE 73 1HG2 ILE 73 -0.961 19.937 0.184 515 2HG2 ILE 73 2HG2 ILE 73 -1.910 18.861 1.209 516 3HG2 ILE 73 3HG2 ILE 73 -0.164 18.645 1.082 517 1HD1 ILE 73 1HD1 ILE 73 -2.483 19.059 3.674 518 2HD1 ILE 73 2HD1 ILE 73 -1.511 18.386 4.983 519 3HD1 ILE 73 3HD1 ILE 73 -1.456 17.656 3.379 520 H ASP 74 H ASP 74 0.515 21.708 -0.531 521 HA ASP 74 HA ASP 74 -0.886 24.338 -0.458 522 1HB ASP 74 1HB ASP 74 0.108 24.636 -2.744 523 2HB ASP 74 2HB ASP 74 0.932 23.095 -2.537 524 H PHE 75 H PHE 75 -2.113 24.725 -2.654 525 HA PHE 75 HA PHE 75 -4.214 22.735 -2.824 526 1HB PHE 75 1HB PHE 75 -3.660 25.076 -4.675 527 2HB PHE 75 2HB PHE 75 -4.614 25.174 -3.198 528 HD1 PHE 75 HD1 PHE 75 -6.233 22.772 -3.194 529 HD2 PHE 75 HD2 PHE 75 -5.100 25.257 -6.509 530 HE1 PHE 75 HE1 PHE 75 -8.238 22.018 -4.442 531 HE2 PHE 75 HE2 PHE 75 -7.105 24.502 -7.757 532 HZ PHE 75 HZ PHE 75 -8.673 22.882 -6.724 533 H GLU 76 H GLU 76 -1.605 23.769 -5.041 534 HA GLU 76 HA GLU 76 -2.207 21.786 -7.054 535 1HB GLU 76 1HB GLU 76 0.167 22.273 -7.818 536 2HB GLU 76 2HB GLU 76 0.316 23.354 -6.431 537 1HG GLU 76 1HG GLU 76 -1.689 24.607 -7.261 538 2HG GLU 76 2HG GLU 76 -1.697 23.577 -8.694 539 H GLU 77 H GLU 77 -0.550 21.679 -4.000 540 HA GLU 77 HA GLU 77 0.963 19.238 -4.503 541 1HB GLU 77 1HB GLU 77 0.295 19.567 -1.718 542 2HB GLU 77 2HB GLU 77 0.739 21.138 -2.384 543 1HG GLU 77 1HG GLU 77 2.767 19.938 -3.417 544 2HG GLU 77 2HG GLU 77 2.373 18.594 -2.345 545 H PHE 78 H PHE 78 -2.190 20.170 -3.318 546 HA PHE 78 HA PHE 78 -3.097 17.564 -2.481 547 1HB PHE 78 1HB PHE 78 -4.462 20.158 -3.233 548 2HB PHE 78 2HB PHE 78 -4.203 19.513 -1.619 549 HD1 PHE 78 HD1 PHE 78 -6.387 19.609 -4.481 550 HD2 PHE 78 HD2 PHE 78 -5.410 17.342 -0.965 551 HE1 PHE 78 HE1 PHE 78 -8.582 18.468 -4.612 552 HE2 PHE 78 HE2 PHE 78 -7.610 16.199 -1.098 553 HZ PHE 78 HZ PHE 78 -9.195 16.762 -2.918 554 H LEU 79 H LEU 79 -3.062 19.369 -5.529 555 HA LEU 79 HA LEU 79 -4.843 17.598 -6.974 556 1HB LEU 79 1HB LEU 79 -3.940 18.702 -8.990 557 2HB LEU 79 2HB LEU 79 -2.675 19.439 -8.010 558 HG LEU 79 HG LEU 79 -4.483 20.534 -6.635 559 1HD1 LEU 79 1HD1 LEU 79 -4.829 22.314 -8.175 560 2HD1 LEU 79 2HD1 LEU 79 -4.760 21.227 -9.563 561 3HD1 LEU 79 3HD1 LEU 79 -3.294 21.586 -8.650 562 1HD2 LEU 79 1HD2 LEU 79 -6.393 19.182 -6.999 563 2HD2 LEU 79 2HD2 LEU 79 -6.181 19.207 -8.750 564 3HD2 LEU 79 3HD2 LEU 79 -6.735 20.654 -7.909 565 H VAL 80 H VAL 80 -1.244 17.889 -6.894 566 HA VAL 80 HA VAL 80 -0.760 15.647 -8.578 567 HB VAL 80 HB VAL 80 1.508 15.727 -7.607 568 1HG1 VAL 80 1HG1 VAL 80 0.569 18.545 -8.055 569 2HG1 VAL 80 2HG1 VAL 80 0.623 17.370 -9.367 570 3HG1 VAL 80 3HG1 VAL 80 2.106 17.818 -8.525 571 1HG2 VAL 80 1HG2 VAL 80 2.078 17.331 -5.873 572 2HG2 VAL 80 2HG2 VAL 80 0.810 16.263 -5.274 573 3HG2 VAL 80 3HG2 VAL 80 0.409 17.891 -5.815 574 H MET 81 H MET 81 -1.580 15.920 -5.185 575 HA MET 81 HA MET 81 -0.721 13.302 -4.341 576 1HB MET 81 1HB MET 81 -2.778 13.762 -2.676 577 2HB MET 81 2HB MET 81 -2.577 15.400 -3.294 578 1HG MET 81 1HG MET 81 -0.580 15.688 -2.229 579 2HG MET 81 2HG MET 81 -0.063 14.032 -2.542 580 1HE MET 81 1HE MET 81 -2.920 15.484 0.731 581 2HE MET 81 2HE MET 81 -2.873 15.973 -0.960 582 3HE MET 81 3HE MET 81 -1.588 16.483 0.132 583 H MET 82 H MET 82 -3.699 14.586 -5.802 584 HA MET 82 HA MET 82 -5.103 12.024 -5.682 585 1HB MET 82 1HB MET 82 -5.797 14.125 -7.708 586 2HB MET 82 2HB MET 82 -6.017 14.513 -6.001 587 1HG MET 82 1HG MET 82 -8.038 13.499 -6.264 588 2HG MET 82 2HG MET 82 -7.115 12.003 -6.132 589 1HE MET 82 1HE MET 82 -9.933 11.765 -8.972 590 2HE MET 82 2HE MET 82 -9.896 12.602 -7.422 591 3HE MET 82 3HE MET 82 -9.333 10.936 -7.530 592 H VAL 83 H VAL 83 -2.973 13.704 -7.916 593 HA VAL 83 HA VAL 83 -3.385 12.014 -10.206 594 HB VAL 83 HB VAL 83 -1.301 14.013 -9.325 595 1HG1 VAL 83 1HG1 VAL 83 0.058 12.483 -10.541 596 2HG1 VAL 83 2HG1 VAL 83 -0.387 13.725 -11.712 597 3HG1 VAL 83 3HG1 VAL 83 -1.213 12.167 -11.722 598 1HG2 VAL 83 1HG2 VAL 83 -3.765 14.205 -10.586 599 2HG2 VAL 83 2HG2 VAL 83 -2.625 14.286 -11.929 600 3HG2 VAL 83 3HG2 VAL 83 -2.505 15.438 -10.600 601 NH1 ARG 84 NH1 ARG 84 3.640 11.524 -4.175 602 NH2 ARG 84 NH2 ARG 84 3.071 11.928 -2.015 603 H ARG 84 H ARG 84 -1.520 11.624 -7.264 604 HA ARG 84 HA ARG 84 0.151 9.494 -8.475 605 1HB ARG 84 1HB ARG 84 1.188 11.118 -6.902 606 2HB ARG 84 2HB ARG 84 1.331 9.453 -6.342 607 1HG ARG 84 1HG ARG 84 -0.971 10.052 -5.129 608 2HG ARG 84 2HG ARG 84 -0.330 11.689 -5.258 609 1HD ARG 84 1HD ARG 84 1.628 9.686 -4.331 610 2HD ARG 84 2HD ARG 84 0.272 9.939 -3.233 611 HE ARG 84 HE ARG 84 0.908 12.464 -3.522 612 1HH1 ARG 84 1HH1 ARG 84 4.039 11.964 -1.764 613 2HH1 ARG 84 2HH1 ARG 84 2.369 12.064 -1.315 614 1HH2 ARG 84 1HH2 ARG 84 3.373 11.353 -5.124 615 2HH2 ARG 84 2HH2 ARG 84 4.609 11.559 -3.929 616 H GLN 85 H GLN 85 -2.913 9.482 -7.625 617 HA GLN 85 HA GLN 85 -2.812 6.891 -6.144 618 1HB GLN 85 1HB GLN 85 -5.375 7.542 -5.871 619 2HB GLN 85 2HB GLN 85 -4.766 9.172 -6.163 620 1HG GLN 85 1HG GLN 85 -3.407 9.136 -4.240 621 2HG GLN 85 2HG GLN 85 -3.433 7.374 -4.143 622 1HE2 GLN 85 1HE2 GLN 85 -4.716 10.099 -2.681 623 2HE2 GLN 85 2HE2 GLN 85 -6.135 9.421 -2.045 624 H MET 86 H MET 86 -4.212 8.664 -8.872 625 HA MET 86 HA MET 86 -5.316 6.116 -9.964 626 1HB MET 86 1HB MET 86 -6.273 7.809 -11.708 627 2HB MET 86 2HB MET 86 -5.824 9.037 -10.525 628 1HG MET 86 1HG MET 86 -7.100 7.501 -8.831 629 2HG MET 86 2HG MET 86 -7.841 6.814 -10.277 630 1HE MET 86 1HE MET 86 -9.787 9.540 -11.922 631 2HE MET 86 2HE MET 86 -9.080 7.927 -11.959 632 3HE MET 86 3HE MET 86 -8.071 9.330 -12.302 633 H LYS 87 H LYS 87 -2.426 6.708 -9.886 634 HA LYS 87 HA LYS 87 -1.371 7.685 -12.309 635 1HB LYS 87 1HB LYS 87 0.556 6.047 -11.796 636 2HB LYS 87 2HB LYS 87 -0.374 5.614 -10.361 637 1HG LYS 87 1HG LYS 87 -0.041 7.666 -9.365 638 2HG LYS 87 2HG LYS 87 0.021 8.522 -10.905 639 1HD LYS 87 1HD LYS 87 2.271 8.312 -11.040 640 2HD LYS 87 2HD LYS 87 2.221 6.609 -10.581 641 1HE LYS 87 1HE LYS 87 1.727 7.492 -8.189 642 2HE LYS 87 2HE LYS 87 2.310 9.042 -8.795 643 1HZ LYS 87 1HZ LYS 87 4.376 7.970 -9.448 644 2HZ LYS 87 2HZ LYS 87 3.813 6.479 -8.856 645 3HZ LYS 87 3HZ LYS 87 4.094 7.771 -7.788 646 H GLU 88 H GLU 88 -0.948 4.202 -11.837 647 HA GLU 88 HA GLU 88 -1.643 3.807 -14.655 648 1HB GLU 88 1HB GLU 88 -0.546 1.652 -14.372 649 2HB GLU 88 2HB GLU 88 -0.494 1.860 -12.628 650 1HG GLU 88 1HG GLU 88 0.884 3.969 -13.064 651 2HG GLU 88 2HG GLU 88 1.013 3.429 -14.738 652 H ASP 89 H ASP 89 -2.282 0.966 -14.038 653 HA ASP 89 HA ASP 89 -5.156 1.335 -13.457 654 1HB ASP 89 1HB ASP 89 -3.858 -1.264 -14.247 655 2HB ASP 89 2HB ASP 89 -4.159 -0.009 -15.446 656 H ALA 90 H ALA 90 -2.303 0.175 -11.876 657 HA ALA 90 HA ALA 90 -3.311 -1.861 -10.204 658 1HB ALA 90 1HB ALA 90 -1.454 -1.297 -8.685 659 2HB ALA 90 2HB ALA 90 -1.222 0.233 -9.534 660 3HB ALA 90 3HB ALA 90 -0.921 -1.292 -10.367 661 H LYS 91 H LYS 91 -5.382 -1.393 -9.434 662 HA LYS 91 HA LYS 91 -6.045 1.027 -7.975 663 1HB LYS 91 1HB LYS 91 -8.038 -0.543 -7.244 664 2HB LYS 91 2HB LYS 91 -7.411 -1.596 -8.512 665 1HG LYS 91 1HG LYS 91 -7.445 0.532 -10.000 666 2HG LYS 91 2HG LYS 91 -8.497 1.210 -8.757 667 1HD LYS 91 1HD LYS 91 -10.081 0.249 -10.156 668 2HD LYS 91 2HD LYS 91 -9.777 -1.100 -9.062 669 1HE LYS 91 1HE LYS 91 -9.586 -2.105 -11.177 670 2HE LYS 91 2HE LYS 91 -7.908 -1.741 -10.776 671 1HZ LYS 91 1HZ LYS 91 -8.011 0.242 -12.090 672 2HZ LYS 91 2HZ LYS 91 -9.670 0.028 -12.385 673 3HZ LYS 91 3HZ LYS 91 -8.541 -1.058 -13.042 674 H GLY 92 H GLY 92 -4.911 -2.209 -7.145 675 1HA GLY 92 1HA GLY 92 -4.564 -3.194 -5.005 676 2HA GLY 92 2HA GLY 92 -5.211 -1.736 -4.254 677 H LYS 93 H LYS 93 -3.160 -0.438 -6.396 678 HA LYS 93 HA LYS 93 -0.543 -1.029 -5.455 679 1HB LYS 93 1HB LYS 93 -1.306 0.274 -7.540 680 2HB LYS 93 2HB LYS 93 0.139 0.843 -6.713 681 1HG LYS 93 1HG LYS 93 -2.316 2.038 -5.643 682 2HG LYS 93 2HG LYS 93 -2.079 2.388 -7.354 683 1HD LYS 93 1HD LYS 93 -0.341 3.772 -6.933 684 2HD LYS 93 2HD LYS 93 0.392 2.638 -5.797 685 1HE LYS 93 1HE LYS 93 -1.045 3.397 -4.011 686 2HE LYS 93 2HE LYS 93 -2.008 4.364 -5.126 687 1HZ LYS 93 1HZ LYS 93 0.888 4.806 -4.659 688 2HZ LYS 93 2HZ LYS 93 -0.334 5.636 -3.822 689 3HZ LYS 93 3HZ LYS 93 -0.185 5.810 -5.505 690 H SER 94 H SER 94 -3.091 0.883 -4.017 691 HA SER 94 HA SER 94 -1.509 2.595 -2.353 692 1HB SER 94 1HB SER 94 -4.113 1.540 -1.340 693 2HB SER 94 2HB SER 94 -4.136 2.455 -2.845 694 HG SER 94 HG SER 94 -4.280 4.002 -1.356 695 H GLU 95 H GLU 95 -2.270 -0.814 -2.130 696 HA GLU 95 HA GLU 95 -1.778 -1.118 0.710 697 1HB GLU 95 1HB GLU 95 -1.571 -3.541 0.146 698 2HB GLU 95 2HB GLU 95 -1.633 -3.123 -1.565 699 1HG GLU 95 1HG GLU 95 -3.877 -3.510 -1.242 700 2HG GLU 95 2HG GLU 95 -3.843 -1.824 -0.731 701 H GLU 96 H GLU 96 0.212 0.220 0.830 702 HA GLU 96 HA GLU 96 2.655 -0.602 -0.483 703 1HB GLU 96 1HB GLU 96 2.600 0.932 2.108 704 2HB GLU 96 2HB GLU 96 2.034 1.689 0.620 705 1HG GLU 96 1HG GLU 96 4.647 0.261 0.483 706 2HG GLU 96 2HG GLU 96 4.616 1.767 1.398 707 H GLU 97 H GLU 97 1.290 -1.191 2.763 708 HA GLU 97 HA GLU 97 3.539 -2.615 3.818 709 1HB GLU 97 1HB GLU 97 0.675 -3.201 4.574 710 2HB GLU 97 2HB GLU 97 1.464 -1.701 5.062 711 1HG GLU 97 1HG GLU 97 3.099 -2.856 6.343 712 2HG GLU 97 2HG GLU 97 2.728 -4.400 5.574 713 H LEU 98 H LEU 98 0.582 -3.788 2.164 714 HA LEU 98 HA LEU 98 1.366 -6.570 2.306 715 1HB LEU 98 1HB LEU 98 -0.387 -6.800 0.435 716 2HB LEU 98 2HB LEU 98 -0.664 -5.076 0.646 717 HG LEU 98 HG LEU 98 -0.663 -6.826 3.077 718 1HD1 LEU 98 1HD1 LEU 98 -1.855 -4.223 2.175 719 2HD1 LEU 98 2HD1 LEU 98 -0.971 -4.592 3.656 720 3HD1 LEU 98 3HD1 LEU 98 -2.643 -5.121 3.473 721 1HD2 LEU 98 1HD2 LEU 98 -3.039 -6.509 1.216 722 2HD2 LEU 98 2HD2 LEU 98 -3.019 -7.376 2.751 723 3HD2 LEU 98 3HD2 LEU 98 -2.091 -7.987 1.382 724 H ALA 99 H ALA 99 1.870 -3.994 -0.084 725 HA ALA 99 HA ALA 99 2.883 -5.668 -2.190 726 1HB ALA 99 1HB ALA 99 3.334 -2.748 -1.523 727 2HB ALA 99 2HB ALA 99 2.236 -3.416 -2.730 728 3HB ALA 99 3HB ALA 99 3.980 -3.515 -2.974 729 H ASN 100 H ASN 100 4.441 -4.088 0.584 730 HA ASN 100 HA ASN 100 7.147 -4.720 -0.188 731 1HB ASN 100 1HB ASN 100 6.368 -4.469 2.699 732 2HB ASN 100 2HB ASN 100 6.186 -3.060 1.655 733 1HD2 ASN 100 1HD2 ASN 100 8.011 -1.748 1.862 734 2HD2 ASN 100 2HD2 ASN 100 9.608 -2.312 1.977 735 H CYS 101 H CYS 101 4.926 -6.227 2.200 736 HA CYS 101 HA CYS 101 6.596 -8.453 2.830 737 1HB CYS 101 1HB CYS 101 4.361 -9.573 3.420 738 2HB CYS 101 2HB CYS 101 3.594 -8.076 2.892 739 HG CYS 101 HG CYS 101 5.737 -7.366 4.856 740 H PHE 102 H PHE 102 4.277 -7.914 0.211 741 HA PHE 102 HA PHE 102 4.133 -10.554 -0.836 742 1HB PHE 102 1HB PHE 102 4.122 -7.984 -2.448 743 2HB PHE 102 2HB PHE 102 2.731 -8.553 -1.528 744 HD1 PHE 102 HD1 PHE 102 4.719 -8.977 -4.550 745 HD2 PHE 102 HD2 PHE 102 1.663 -10.737 -2.106 746 HE1 PHE 102 HE1 PHE 102 4.062 -10.449 -6.431 747 HE2 PHE 102 HE2 PHE 102 1.007 -12.212 -3.982 748 HZ PHE 102 HZ PHE 102 2.197 -12.069 -6.149 749 NH1 ARG 103 NH1 ARG 103 8.089 -3.833 -7.104 750 NH2 ARG 103 NH2 ARG 103 8.478 -5.932 -7.868 751 H ARG 103 H ARG 103 6.326 -7.854 -1.720 752 HA ARG 103 HA ARG 103 7.881 -9.410 -3.580 753 1HB ARG 103 1HB ARG 103 9.624 -7.478 -2.823 754 2HB ARG 103 2HB ARG 103 8.113 -6.756 -2.270 755 1HG ARG 103 1HG ARG 103 7.188 -7.329 -4.602 756 2HG ARG 103 2HG ARG 103 8.865 -7.616 -5.070 757 1HD ARG 103 1HD ARG 103 8.955 -5.177 -3.720 758 2HD ARG 103 2HD ARG 103 7.458 -5.088 -4.647 759 HE ARG 103 HE ARG 103 10.184 -5.373 -5.792 760 1HH1 ARG 103 1HH1 ARG 103 7.620 -3.607 -7.958 761 2HH1 ARG 103 2HH1 ARG 103 8.176 -3.143 -6.385 762 1HH2 ARG 103 1HH2 ARG 103 8.862 -6.845 -7.733 763 2HH2 ARG 103 2HH2 ARG 103 8.010 -5.710 -8.724 764 H ILE 104 H ILE 104 8.183 -8.844 -0.091 765 HA ILE 104 HA ILE 104 10.815 -9.910 0.239 766 HB ILE 104 HB ILE 104 8.451 -9.855 2.144 767 1HG1 ILE 104 1HG1 ILE 104 9.597 -7.691 1.201 768 2HG1 ILE 104 2HG1 ILE 104 10.919 -8.132 2.280 769 1HG2 ILE 104 1HG2 ILE 104 10.353 -10.052 3.876 770 2HG2 ILE 104 2HG2 ILE 104 11.342 -10.638 2.541 771 3HG2 ILE 104 3HG2 ILE 104 9.894 -11.522 3.020 772 1HD1 ILE 104 1HD1 ILE 104 8.374 -6.914 2.924 773 2HD1 ILE 104 2HD1 ILE 104 9.772 -7.170 3.966 774 3HD1 ILE 104 3HD1 ILE 104 8.554 -8.436 3.796 775 H PHE 105 H PHE 105 7.730 -11.489 -0.320 776 HA PHE 105 HA PHE 105 8.669 -14.100 0.621 777 1HB PHE 105 1HB PHE 105 6.453 -14.759 -0.685 778 2HB PHE 105 2HB PHE 105 6.147 -13.025 -0.575 779 HD1 PHE 105 HD1 PHE 105 5.376 -15.968 0.986 780 HD2 PHE 105 HD2 PHE 105 7.038 -12.121 1.931 781 HE1 PHE 105 HE1 PHE 105 4.672 -16.241 3.347 782 HE2 PHE 105 HE2 PHE 105 6.335 -12.395 4.291 783 HZ PHE 105 HZ PHE 105 5.152 -14.455 4.999 784 H ASP 106 H ASP 106 8.293 -12.470 -2.547 785 HA ASP 106 HA ASP 106 9.206 -14.957 -3.878 786 1HB ASP 106 1HB ASP 106 7.579 -14.005 -5.249 787 2HB ASP 106 2HB ASP 106 9.057 -13.403 -5.986 788 H LYS 107 H LYS 107 11.355 -15.263 -3.465 789 HA LYS 107 HA LYS 107 13.291 -13.112 -3.338 790 1HB LYS 107 1HB LYS 107 14.980 -14.971 -3.433 791 2HB LYS 107 2HB LYS 107 13.653 -16.106 -3.684 792 1HG LYS 107 1HG LYS 107 12.632 -15.215 -1.542 793 2HG LYS 107 2HG LYS 107 14.140 -14.341 -1.268 794 1HD LYS 107 1HD LYS 107 15.319 -16.605 -1.550 795 2HD LYS 107 2HD LYS 107 13.719 -17.335 -1.425 796 1HE LYS 107 1HE LYS 107 13.395 -16.300 0.775 797 2HE LYS 107 2HE LYS 107 14.957 -15.493 0.644 798 1HZ LYS 107 1HZ LYS 107 14.519 -18.432 0.681 799 2HZ LYS 107 2HZ LYS 107 15.128 -17.499 1.964 800 3HZ LYS 107 3HZ LYS 107 16.024 -17.664 0.530 801 H ASN 108 H ASN 108 11.850 -14.868 -5.947 802 HA ASN 108 HA ASN 108 14.022 -14.282 -7.851 803 1HB ASN 108 1HB ASN 108 11.236 -15.297 -8.475 804 2HB ASN 108 2HB ASN 108 12.544 -16.358 -7.954 805 1HD2 ASN 108 1HD2 ASN 108 14.382 -16.648 -9.443 806 2HD2 ASN 108 2HD2 ASN 108 14.264 -16.195 -11.075 807 H ALA 109 H ALA 109 11.012 -12.851 -6.772 808 HA ALA 109 HA ALA 109 9.978 -10.835 -7.318 809 1HB ALA 109 1HB ALA 109 12.447 -10.086 -8.884 810 2HB ALA 109 2HB ALA 109 12.461 -10.116 -7.121 811 3HB ALA 109 3HB ALA 109 11.358 -9.038 -7.975 812 H ASP 110 H ASP 110 8.901 -12.655 -8.791 813 HA ASP 110 HA ASP 110 9.096 -11.751 -11.638 814 1HB ASP 110 1HB ASP 110 7.803 -14.345 -10.894 815 2HB ASP 110 2HB ASP 110 9.562 -14.248 -10.835 816 H GLY 111 H GLY 111 7.335 -10.897 -9.149 817 1HA GLY 111 1HA GLY 111 4.843 -10.690 -10.739 818 2HA GLY 111 2HA GLY 111 5.241 -9.727 -9.320 819 H PHE 112 H PHE 112 5.733 -13.197 -9.153 820 HA PHE 112 HA PHE 112 3.446 -13.354 -7.245 821 1HB PHE 112 1HB PHE 112 2.616 -15.375 -8.194 822 2HB PHE 112 2HB PHE 112 4.039 -15.571 -9.212 823 HD1 PHE 112 HD1 PHE 112 4.041 -14.737 -11.416 824 HD2 PHE 112 HD2 PHE 112 1.147 -13.275 -8.600 825 HE1 PHE 112 HE1 PHE 112 2.913 -13.475 -13.229 826 HE2 PHE 112 HE2 PHE 112 0.018 -12.015 -10.412 827 HZ PHE 112 HZ PHE 112 0.901 -12.115 -12.726 828 H ILE 113 H ILE 113 3.647 -15.158 -5.731 829 HA ILE 113 HA ILE 113 6.497 -15.820 -5.160 830 HB ILE 113 HB ILE 113 3.991 -16.051 -3.449 831 1HG1 ILE 113 1HG1 ILE 113 6.241 -14.060 -3.659 832 2HG1 ILE 113 2HG1 ILE 113 5.473 -14.337 -2.098 833 1HG2 ILE 113 1HG2 ILE 113 6.890 -16.734 -2.889 834 2HG2 ILE 113 2HG2 ILE 113 5.488 -17.798 -2.762 835 3HG2 ILE 113 3HG2 ILE 113 5.701 -16.479 -1.611 836 1HD1 ILE 113 1HD1 ILE 113 3.264 -14.089 -3.616 837 2HD1 ILE 113 2HD1 ILE 113 4.366 -13.083 -4.555 838 3HD1 ILE 113 3HD1 ILE 113 4.057 -12.705 -2.862 839 H ASP 114 H ASP 114 7.154 -18.021 -4.916 840 HA ASP 114 HA ASP 114 5.312 -19.988 -6.198 841 1HB ASP 114 1HB ASP 114 7.240 -21.270 -6.762 842 2HB ASP 114 2HB ASP 114 8.249 -20.388 -5.620 843 H ILE 115 H ILE 115 5.112 -22.119 -5.287 844 HA ILE 115 HA ILE 115 4.705 -22.173 -2.452 845 HB ILE 115 HB ILE 115 3.492 -23.647 -4.028 846 1HG1 ILE 115 1HG1 ILE 115 3.518 -24.362 -1.750 847 2HG1 ILE 115 2HG1 ILE 115 5.164 -24.977 -1.885 848 1HG2 ILE 115 1HG2 ILE 115 5.585 -24.059 -5.460 849 2HG2 ILE 115 2HG2 ILE 115 4.526 -25.442 -5.190 850 3HG2 ILE 115 3HG2 ILE 115 6.020 -25.283 -4.267 851 1HD1 ILE 115 1HD1 ILE 115 3.252 -26.704 -1.982 852 2HD1 ILE 115 2HD1 ILE 115 4.484 -26.800 -3.240 853 3HD1 ILE 115 3HD1 ILE 115 2.920 -26.063 -3.590 854 H GLU 116 H GLU 116 7.289 -23.422 -4.533 855 HA GLU 116 HA GLU 116 8.845 -24.641 -2.442 856 1HB GLU 116 1HB GLU 116 9.219 -25.156 -4.830 857 2HB GLU 116 2HB GLU 116 10.704 -24.592 -4.068 858 1HG GLU 116 1HG GLU 116 10.263 -22.309 -4.961 859 2HG GLU 116 2HG GLU 116 8.822 -22.923 -5.771 860 H GLU 117 H GLU 117 8.600 -21.346 -3.661 861 HA GLU 117 HA GLU 117 10.950 -20.276 -2.409 862 1HB GLU 117 1HB GLU 117 9.255 -18.149 -2.473 863 2HB GLU 117 2HB GLU 117 8.466 -19.208 -3.640 864 1HG GLU 117 1HG GLU 117 10.043 -17.845 -4.855 865 2HG GLU 117 2HG GLU 117 10.710 -19.476 -4.777 866 H LEU 118 H LEU 118 7.588 -20.690 -1.304 867 HA LEU 118 HA LEU 118 7.942 -19.300 1.209 868 1HB LEU 118 1HB LEU 118 5.920 -21.474 0.617 869 2HB LEU 118 2HB LEU 118 5.735 -19.814 0.052 870 HG LEU 118 HG LEU 118 6.389 -20.087 2.925 871 1HD1 LEU 118 1HD1 LEU 118 4.128 -18.611 1.559 872 2HD1 LEU 118 2HD1 LEU 118 5.773 -17.976 1.623 873 3HD1 LEU 118 3HD1 LEU 118 4.875 -18.250 3.116 874 1HD2 LEU 118 1HD2 LEU 118 4.750 -22.008 2.299 875 2HD2 LEU 118 2HD2 LEU 118 3.570 -20.719 2.059 876 3HD2 LEU 118 3HD2 LEU 118 4.314 -20.950 3.640 877 H GLY 119 H GLY 119 8.575 -22.603 0.163 878 1HA GLY 119 1HA GLY 119 9.581 -24.400 1.277 879 2HA GLY 119 2HA GLY 119 8.601 -23.933 2.661 880 H GLU 120 H GLU 120 11.393 -22.400 0.972 881 HA GLU 120 HA GLU 120 13.217 -22.822 3.149 882 1HB GLU 120 1HB GLU 120 14.488 -20.882 2.038 883 2HB GLU 120 2HB GLU 120 13.222 -20.924 0.807 884 1HG GLU 120 1HG GLU 120 13.744 -23.209 0.248 885 2HG GLU 120 2HG GLU 120 14.817 -23.365 1.639 886 H ILE 121 H ILE 121 10.942 -20.208 2.415 887 HA ILE 121 HA ILE 121 11.938 -18.309 4.312 888 HB ILE 121 HB ILE 121 9.110 -18.757 3.291 889 1HG1 ILE 121 1HG1 ILE 121 11.039 -18.164 1.668 890 2HG1 ILE 121 2HG1 ILE 121 11.068 -16.599 2.480 891 1HG2 ILE 121 1HG2 ILE 121 10.351 -16.602 4.997 892 2HG2 ILE 121 2HG2 ILE 121 8.822 -17.450 5.229 893 3HG2 ILE 121 3HG2 ILE 121 8.975 -16.242 3.954 894 1HD1 ILE 121 1HD1 ILE 121 8.349 -17.391 1.793 895 2HD1 ILE 121 2HD1 ILE 121 9.387 -17.345 0.368 896 3HD1 ILE 121 3HD1 ILE 121 9.219 -15.913 1.382 897 H LEU 122 H LEU 122 9.552 -20.952 4.618 898 HA LEU 122 HA LEU 122 8.932 -20.389 7.386 899 1HB LEU 122 1HB LEU 122 8.236 -22.978 7.160 900 2HB LEU 122 2HB LEU 122 8.351 -22.573 5.446 901 HG LEU 122 HG LEU 122 6.956 -20.454 6.149 902 1HD1 LEU 122 1HD1 LEU 122 4.906 -21.651 5.640 903 2HD1 LEU 122 2HD1 LEU 122 5.639 -23.184 6.112 904 3HD1 LEU 122 3HD1 LEU 122 6.209 -22.340 4.673 905 1HD2 LEU 122 1HD2 LEU 122 6.637 -22.356 8.464 906 2HD2 LEU 122 2HD2 LEU 122 5.315 -21.282 8.009 907 3HD2 LEU 122 3HD2 LEU 122 6.871 -20.609 8.492 908 NH1 ARG 123 NH1 ARG 123 17.152 -24.652 3.236 909 NH2 ARG 123 NH2 ARG 123 18.023 -24.975 5.306 910 H ARG 123 H ARG 123 11.110 -22.792 5.831 911 HA ARG 123 HA ARG 123 12.015 -23.881 8.352 912 1HB ARG 123 1HB ARG 123 12.202 -25.146 6.235 913 2HB ARG 123 2HB ARG 123 13.761 -25.000 7.042 914 1HG ARG 123 1HG ARG 123 13.115 -22.836 5.124 915 2HG ARG 123 2HG ARG 123 13.367 -24.427 4.411 916 1HD ARG 123 1HD ARG 123 15.315 -23.414 6.461 917 2HD ARG 123 2HD ARG 123 15.422 -22.818 4.805 918 HE ARG 123 HE ARG 123 15.328 -25.755 5.130 919 1HH1 ARG 123 1HH1 ARG 123 18.948 -24.936 4.925 920 2HH1 ARG 123 2HH1 ARG 123 17.894 -25.117 6.288 921 1HH2 ARG 123 1HH2 ARG 123 16.359 -24.547 2.636 922 2HH2 ARG 123 2HH2 ARG 123 18.075 -24.612 2.852 923 H ALA 124 H ALA 124 13.056 -21.133 6.402 924 HA ALA 124 HA ALA 124 15.667 -20.751 7.435 925 1HB ALA 124 1HB ALA 124 13.579 -18.785 6.480 926 2HB ALA 124 2HB ALA 124 14.977 -19.398 5.597 927 3HB ALA 124 3HB ALA 124 15.205 -18.287 6.947 928 H THR 125 H THR 125 12.589 -20.308 9.048 929 HA THR 125 HA THR 125 13.384 -18.380 11.012 930 HB THR 125 HB THR 125 11.493 -19.229 12.348 931 HG1 THR 125 HG1 THR 125 10.662 -21.141 11.989 932 1HG2 THR 125 1HG2 THR 125 11.017 -17.729 10.454 933 2HG2 THR 125 2HG2 THR 125 9.714 -18.898 10.675 934 3HG2 THR 125 3HG2 THR 125 10.889 -19.122 9.379 935 H GLY 126 H GLY 126 13.687 -21.928 10.928 936 1HA GLY 126 1HA GLY 126 15.512 -21.721 13.288 937 2HA GLY 126 2HA GLY 126 15.637 -22.957 12.038 938 H GLU 127 H GLU 127 12.412 -22.205 13.031 939 HA GLU 127 HA GLU 127 12.197 -23.966 15.298 940 1HB GLU 127 1HB GLU 127 9.676 -23.944 14.421 941 2HB GLU 127 2HB GLU 127 10.285 -22.615 13.434 942 1HG GLU 127 1HG GLU 127 11.353 -21.922 15.819 943 2HG GLU 127 2HG GLU 127 9.922 -22.783 16.384 944 H HIS 128 H HIS 128 10.964 -26.040 15.296 945 HA HIS 128 HA HIS 128 11.863 -27.752 13.068 946 1HB HIS 128 1HB HIS 128 10.717 -29.533 14.637 947 2HB HIS 128 2HB HIS 128 10.761 -28.231 15.825 948 HD1 HIS 128 HD1 HIS 128 12.803 -30.893 14.462 949 HD2 HIS 128 HD2 HIS 128 13.561 -27.125 16.076 950 HE1 HIS 128 HE1 HIS 128 15.257 -30.862 15.085 951 H VAL 129 H VAL 129 10.358 -26.800 11.475 952 HA VAL 129 HA VAL 129 7.487 -27.442 11.889 953 HB VAL 129 HB VAL 129 8.043 -25.224 10.977 954 1HG1 VAL 129 1HG1 VAL 129 8.944 -25.078 8.645 955 2HG1 VAL 129 2HG1 VAL 129 9.256 -26.813 8.700 956 3HG1 VAL 129 3HG1 VAL 129 10.109 -25.728 9.797 957 1HG2 VAL 129 1HG2 VAL 129 5.944 -26.483 10.306 958 2HG2 VAL 129 2HG2 VAL 129 6.776 -26.907 8.810 959 3HG2 VAL 129 3HG2 VAL 129 6.450 -25.216 9.189 960 H ILE 130 H ILE 130 6.327 -28.625 10.200 961 HA ILE 130 HA ILE 130 8.050 -30.742 8.991 962 HB ILE 130 HB ILE 130 5.593 -31.797 8.746 963 1HG1 ILE 130 1HG1 ILE 130 4.650 -29.680 9.873 964 2HG1 ILE 130 2HG1 ILE 130 5.364 -30.298 11.363 965 1HG2 ILE 130 1HG2 ILE 130 6.068 -33.068 10.774 966 2HG2 ILE 130 2HG2 ILE 130 7.168 -31.810 11.336 967 3HG2 ILE 130 3HG2 ILE 130 7.575 -32.764 9.909 968 1HD1 ILE 130 1HD1 ILE 130 4.099 -32.448 10.978 969 2HD1 ILE 130 2HD1 ILE 130 3.282 -31.661 9.628 970 3HD1 ILE 130 3HD1 ILE 130 3.063 -31.050 11.268 971 H GLU 131 H GLU 131 7.869 -31.220 6.809 972 HA GLU 131 HA GLU 131 6.966 -29.128 5.047 973 1HB GLU 131 1HB GLU 131 8.132 -31.868 4.768 974 2HB GLU 131 2HB GLU 131 8.680 -30.346 4.073 975 1HG GLU 131 1HG GLU 131 6.848 -30.403 2.443 976 2HG GLU 131 2HG GLU 131 6.228 -31.885 3.176 977 H GLU 132 H GLU 132 5.535 -32.100 6.277 978 HA GLU 132 HA GLU 132 3.339 -32.300 4.452 979 1HB GLU 132 1HB GLU 132 2.249 -33.450 6.537 980 2HB GLU 132 2HB GLU 132 3.843 -33.255 7.264 981 1HG GLU 132 1HG GLU 132 3.484 -34.509 4.536 982 2HG GLU 132 2HG GLU 132 3.384 -35.465 6.014 983 H ASP 133 H ASP 133 3.878 -30.317 7.351 984 HA ASP 133 HA ASP 133 1.079 -29.407 7.409 985 1HB ASP 133 1HB ASP 133 3.429 -28.172 8.864 986 2HB ASP 133 2HB ASP 133 2.605 -29.616 9.451 987 H ILE 134 H ILE 134 4.229 -28.163 6.325 988 HA ILE 134 HA ILE 134 3.282 -25.521 5.642 989 HB ILE 134 HB ILE 134 5.677 -27.075 4.605 990 1HG1 ILE 134 1HG1 ILE 134 5.479 -26.594 7.121 991 2HG1 ILE 134 2HG1 ILE 134 5.611 -24.889 6.699 992 1HG2 ILE 134 1HG2 ILE 134 4.775 -24.213 4.300 993 2HG2 ILE 134 2HG2 ILE 134 5.369 -25.321 3.063 994 3HG2 ILE 134 3HG2 ILE 134 6.489 -24.628 4.236 995 1HD1 ILE 134 1HD1 ILE 134 7.704 -25.860 5.289 996 2HD1 ILE 134 2HD1 ILE 134 7.669 -27.035 6.604 997 3HD1 ILE 134 3HD1 ILE 134 7.851 -25.318 6.961 998 H GLU 135 H GLU 135 3.872 -28.456 3.669 999 HA GLU 135 HA GLU 135 3.118 -27.366 1.157 1000 1HB GLU 135 1HB GLU 135 2.586 -30.221 2.010 1001 2HB GLU 135 2HB GLU 135 4.204 -29.631 1.628 1002 1HG GLU 135 1HG GLU 135 3.779 -29.555 -0.612 1003 2HG GLU 135 2HG GLU 135 2.134 -28.961 -0.376 1004 H ASP 136 H ASP 136 1.082 -29.318 3.383 1005 HA ASP 136 HA ASP 136 -1.349 -28.979 1.948 1006 1HB ASP 136 1HB ASP 136 -1.138 -29.292 4.949 1007 2HB ASP 136 2HB ASP 136 -0.879 -30.628 3.828 1008 H LEU 137 H LEU 137 0.266 -26.860 4.271 1009 HA LEU 137 HA LEU 137 -1.906 -25.171 4.975 1010 1HB LEU 137 1HB LEU 137 0.947 -24.267 4.492 1011 2HB LEU 137 2HB LEU 137 0.436 -25.126 5.944 1012 HG LEU 137 HG LEU 137 -1.150 -22.728 5.142 1013 1HD1 LEU 137 1HD1 LEU 137 -0.145 -23.847 7.779 1014 2HD1 LEU 137 2HD1 LEU 137 -1.764 -24.064 7.114 1015 3HD1 LEU 137 3HD1 LEU 137 -1.222 -22.461 7.609 1016 1HD2 LEU 137 1HD2 LEU 137 0.461 -21.225 6.239 1017 2HD2 LEU 137 2HD2 LEU 137 1.209 -22.012 4.850 1018 3HD2 LEU 137 3HD2 LEU 137 1.570 -22.575 6.482 1019 H MET 138 H MET 138 0.317 -25.012 2.175 1020 HA MET 138 HA MET 138 -0.888 -22.635 1.047 1021 1HB MET 138 1HB MET 138 0.511 -24.685 -0.644 1022 2HB MET 138 2HB MET 138 1.436 -23.774 0.551 1023 1HG MET 138 1HG MET 138 1.301 -21.843 -0.645 1024 2HG MET 138 2HG MET 138 -0.384 -22.126 -1.087 1025 1HE MET 138 1HE MET 138 2.688 -21.584 -3.617 1026 2HE MET 138 2HE MET 138 1.585 -20.779 -2.504 1027 3HE MET 138 3HE MET 138 1.031 -21.222 -4.117 1028 H LYS 139 H LYS 139 -1.548 -26.092 0.783 1029 HA LYS 139 HA LYS 139 -3.240 -25.994 -1.535 1030 1HB LYS 139 1HB LYS 139 -3.982 -28.189 -0.915 1031 2HB LYS 139 2HB LYS 139 -3.561 -27.929 0.775 1032 1HG LYS 139 1HG LYS 139 -1.898 -29.359 -0.383 1033 2HG LYS 139 2HG LYS 139 -1.174 -27.863 0.194 1034 1HD LYS 139 1HD LYS 139 -1.557 -26.901 -2.121 1035 2HD LYS 139 2HD LYS 139 -2.038 -28.517 -2.639 1036 1HE LYS 139 1HE LYS 139 0.159 -29.398 -1.972 1037 2HE LYS 139 2HE LYS 139 0.638 -27.802 -1.398 1038 1HZ LYS 139 1HZ LYS 139 0.327 -26.957 -3.658 1039 2HZ LYS 139 2HZ LYS 139 -0.062 -28.523 -4.194 1040 3HZ LYS 139 3HZ LYS 139 1.494 -28.186 -3.604 1041 H ASP 140 H ASP 140 -3.834 -25.347 1.882 1042 HA ASP 140 HA ASP 140 -6.749 -25.100 1.428 1043 1HB ASP 140 1HB ASP 140 -6.732 -24.521 3.910 1044 2HB ASP 140 2HB ASP 140 -5.004 -24.876 3.892 1045 H SER 141 H SER 141 -3.908 -23.061 1.709 1046 HA SER 141 HA SER 141 -5.425 -20.618 2.237 1047 1HB SER 141 1HB SER 141 -3.030 -20.973 2.942 1048 2HB SER 141 2HB SER 141 -3.301 -19.487 2.042 1049 HG SER 141 HG SER 141 -1.915 -20.178 0.659 1050 H ASP 142 H ASP 142 -4.348 -22.385 -0.602 1051 HA ASP 142 HA ASP 142 -4.736 -20.121 -2.422 1052 1HB ASP 142 1HB ASP 142 -4.796 -22.650 -3.786 1053 2HB ASP 142 2HB ASP 142 -3.520 -22.688 -2.570 1054 H LYS 143 H LYS 143 -6.631 -19.567 -3.411 1055 HA LYS 143 HA LYS 143 -9.111 -20.860 -2.642 1056 1HB LYS 143 1HB LYS 143 -10.139 -19.269 -4.290 1057 2HB LYS 143 2HB LYS 143 -8.516 -18.761 -4.753 1058 1HG LYS 143 1HG LYS 143 -8.458 -18.564 -1.988 1059 2HG LYS 143 2HG LYS 143 -10.097 -18.045 -2.385 1060 1HD LYS 143 1HD LYS 143 -7.673 -16.972 -3.845 1061 2HD LYS 143 2HD LYS 143 -8.287 -16.222 -2.372 1062 1HE LYS 143 1HE LYS 143 -10.568 -16.149 -3.545 1063 2HE LYS 143 2HE LYS 143 -9.700 -16.546 -5.028 1064 1HZ LYS 143 1HZ LYS 143 -8.290 -14.593 -4.648 1065 2HZ LYS 143 2HZ LYS 143 -9.217 -14.192 -3.282 1066 3HZ LYS 143 3HZ LYS 143 -9.924 -14.175 -4.826 1067 H ASN 144 H ASN 144 -7.524 -20.496 -5.846 1068 HA ASN 144 HA ASN 144 -9.158 -22.749 -6.875 1069 1HB ASN 144 1HB ASN 144 -7.122 -21.118 -8.410 1070 2HB ASN 144 2HB ASN 144 -8.782 -20.572 -8.171 1071 1HD2 ASN 144 1HD2 ASN 144 -6.793 -22.419 -10.229 1072 2HD2 ASN 144 2HD2 ASN 144 -8.015 -23.263 -11.050 1073 H ASN 145 H ASN 145 -5.948 -22.073 -5.730 1074 HA ASN 145 HA ASN 145 -4.109 -23.459 -5.405 1075 1HB ASN 145 1HB ASN 145 -5.483 -25.896 -6.425 1076 2HB ASN 145 2HB ASN 145 -6.193 -25.128 -5.005 1077 1HD2 ASN 145 1HD2 ASN 145 -3.752 -27.292 -6.013 1078 2HD2 ASN 145 2HD2 ASN 145 -2.837 -27.302 -4.583 1079 H ASP 146 H ASP 146 -3.294 -22.224 -7.295 1080 HA ASP 146 HA ASP 146 -3.217 -23.774 -9.837 1081 1HB ASP 146 1HB ASP 146 -1.978 -21.057 -9.481 1082 2HB ASP 146 2HB ASP 146 -3.732 -21.200 -9.607 1083 H GLY 147 H GLY 147 -1.148 -22.533 -7.248 1084 1HA GLY 147 1HA GLY 147 1.250 -23.686 -8.579 1085 2HA GLY 147 2HA GLY 147 0.812 -24.265 -6.972 1086 NH1 ARG 148 NH1 ARG 148 3.353 -21.999 -12.572 1087 NH2 ARG 148 NH2 ARG 148 5.521 -21.729 -11.959 1088 H ARG 148 H ARG 148 0.627 -20.946 -8.280 1089 HA ARG 148 HA ARG 148 2.674 -20.119 -6.270 1090 1HB ARG 148 1HB ARG 148 2.854 -18.083 -7.814 1091 2HB ARG 148 2HB ARG 148 1.894 -19.003 -8.968 1092 1HG ARG 148 1HG ARG 148 4.317 -20.267 -7.728 1093 2HG ARG 148 2HG ARG 148 4.518 -19.125 -9.051 1094 1HD ARG 148 1HD ARG 148 2.400 -21.066 -9.581 1095 2HD ARG 148 2HD ARG 148 3.964 -21.835 -9.319 1096 HE ARG 148 HE ARG 148 3.912 -19.556 -11.206 1097 1HH1 ARG 148 1HH1 ARG 148 5.799 -22.422 -12.625 1098 2HH1 ARG 148 2HH1 ARG 148 6.211 -21.278 -11.392 1099 1HH2 ARG 148 1HH2 ARG 148 2.388 -21.756 -12.470 1100 2HH2 ARG 148 2HH2 ARG 148 3.625 -22.694 -13.239 1101 H ILE 149 H ILE 149 2.347 -17.774 -5.564 1102 HA ILE 149 HA ILE 149 -0.562 -17.273 -5.048 1103 HB ILE 149 HB ILE 149 1.847 -16.505 -3.357 1104 1HG1 ILE 149 1HG1 ILE 149 1.006 -18.976 -3.479 1105 2HG1 ILE 149 2HG1 ILE 149 -0.385 -18.379 -2.574 1106 1HG2 ILE 149 1HG2 ILE 149 0.048 -14.849 -3.179 1107 2HG2 ILE 149 2HG2 ILE 149 0.109 -15.815 -1.705 1108 3HG2 ILE 149 3HG2 ILE 149 -1.134 -16.131 -2.914 1109 1HD1 ILE 149 1HD1 ILE 149 1.149 -19.111 -0.915 1110 2HD1 ILE 149 2HD1 ILE 149 1.337 -17.358 -0.951 1111 3HD1 ILE 149 3HD1 ILE 149 2.523 -18.388 -1.751 1112 H ASP 150 H ASP 150 -1.347 -15.217 -5.548 1113 HA ASP 150 HA ASP 150 0.636 -13.339 -6.777 1114 1HB ASP 150 1HB ASP 150 -0.746 -13.939 -8.563 1115 2HB ASP 150 2HB ASP 150 -1.516 -12.467 -7.984 1116 H PHE 151 H PHE 151 -0.305 -11.018 -6.828 1117 HA PHE 151 HA PHE 151 -0.577 -10.092 -4.135 1118 1HB PHE 151 1HB PHE 151 -1.401 -8.518 -6.579 1119 2HB PHE 151 2HB PHE 151 0.292 -8.820 -6.196 1120 HD1 PHE 151 HD1 PHE 151 1.062 -8.218 -3.765 1121 HD2 PHE 151 HD2 PHE 151 -2.507 -6.695 -5.611 1122 HE1 PHE 151 HE1 PHE 151 1.029 -6.337 -2.151 1123 HE2 PHE 151 HE2 PHE 151 -2.538 -4.814 -3.996 1124 HZ PHE 151 HZ PHE 151 -0.770 -4.633 -2.271 1125 H ASP 152 H ASP 152 -2.959 -11.067 -6.519 1126 HA ASP 152 HA ASP 152 -5.255 -9.709 -5.501 1127 1HB ASP 152 1HB ASP 152 -6.579 -11.439 -6.606 1128 2HB ASP 152 2HB ASP 152 -5.176 -12.498 -6.700 1129 H GLU 153 H GLU 153 -4.275 -13.098 -4.883 1130 HA GLU 153 HA GLU 153 -6.069 -13.446 -2.657 1131 1HB GLU 153 1HB GLU 153 -3.514 -14.988 -3.198 1132 2HB GLU 153 2HB GLU 153 -5.023 -15.286 -4.057 1133 1HG GLU 153 1HG GLU 153 -6.144 -15.730 -1.881 1134 2HG GLU 153 2HG GLU 153 -4.601 -15.497 -1.058 1135 H PHE 154 H PHE 154 -2.754 -12.237 -2.919 1136 HA PHE 154 HA PHE 154 -1.916 -12.478 -0.228 1137 1HB PHE 154 1HB PHE 154 -1.327 -10.061 -1.954 1138 2HB PHE 154 2HB PHE 154 -0.557 -11.625 -2.221 1139 HD1 PHE 154 HD1 PHE 154 -0.803 -8.708 0.005 1140 HD2 PHE 154 HD2 PHE 154 0.944 -12.596 -0.527 1141 HE1 PHE 154 HE1 PHE 154 0.810 -8.240 1.829 1142 HE2 PHE 154 HE2 PHE 154 2.556 -12.123 1.293 1143 HZ PHE 154 HZ PHE 154 2.489 -9.945 2.472 1144 H LEU 155 H LEU 155 -4.167 -10.177 -1.689 1145 HA LEU 155 HA LEU 155 -4.245 -8.210 0.354 1146 1HB LEU 155 1HB LEU 155 -6.550 -7.741 -0.455 1147 2HB LEU 155 2HB LEU 155 -6.512 -9.238 -1.386 1148 HG LEU 155 HG LEU 155 -4.389 -8.308 -2.487 1149 1HD1 LEU 155 1HD1 LEU 155 -6.554 -8.409 -3.644 1150 2HD1 LEU 155 2HD1 LEU 155 -5.704 -6.923 -4.067 1151 3HD1 LEU 155 3HD1 LEU 155 -7.032 -6.879 -2.907 1152 1HD2 LEU 155 1HD2 LEU 155 -4.496 -5.701 -2.464 1153 2HD2 LEU 155 2HD2 LEU 155 -3.740 -6.521 -1.097 1154 3HD2 LEU 155 3HD2 LEU 155 -5.388 -5.910 -0.956 1155 H LYS 156 H LYS 156 -6.545 -10.947 -0.045 1156 HA LYS 156 HA LYS 156 -7.586 -10.643 2.645 1157 1HB LYS 156 1HB LYS 156 -8.962 -11.650 0.891 1158 2HB LYS 156 2HB LYS 156 -8.732 -12.802 2.206 1159 1HG LYS 156 1HG LYS 156 -6.650 -13.555 0.739 1160 2HG LYS 156 2HG LYS 156 -7.584 -12.826 -0.566 1161 1HD LYS 156 1HD LYS 156 -8.732 -14.868 1.356 1162 2HD LYS 156 2HD LYS 156 -8.008 -15.302 -0.192 1163 1HE LYS 156 1HE LYS 156 -9.633 -13.834 -1.350 1164 2HE LYS 156 2HE LYS 156 -10.361 -13.425 0.202 1165 1HZ LYS 156 1HZ LYS 156 -11.562 -15.197 -0.952 1166 2HZ LYS 156 2HZ LYS 156 -10.934 -15.727 0.535 1167 3HZ LYS 156 3HZ LYS 156 -10.173 -16.169 -0.919 1168 H MET 157 H MET 157 -4.840 -12.328 1.312 1169 HA MET 157 HA MET 157 -4.502 -14.330 3.332 1170 1HB MET 157 1HB MET 157 -2.011 -13.223 2.247 1171 2HB MET 157 2HB MET 157 -3.188 -13.612 0.995 1172 1HG MET 157 1HG MET 157 -3.041 -15.853 1.377 1173 2HG MET 157 2HG MET 157 -2.915 -15.644 3.122 1174 1HE MET 157 1HE MET 157 0.718 -14.783 3.790 1175 2HE MET 157 2HE MET 157 -0.699 -15.587 4.460 1176 3HE MET 157 3HE MET 157 -0.835 -13.939 3.853 1177 H MET 158 H MET 158 -3.186 -11.012 3.033 1178 HA MET 158 HA MET 158 -1.819 -11.140 5.599 1179 1HB MET 158 1HB MET 158 -2.353 -8.435 4.765 1180 2HB MET 158 2HB MET 158 -1.867 -9.389 3.364 1181 1HG MET 158 1HG MET 158 0.182 -8.636 4.258 1182 2HG MET 158 2HG MET 158 0.035 -10.275 4.891 1183 1HE MET 158 1HE MET 158 1.467 -9.364 8.033 1184 2HE MET 158 2HE MET 158 2.066 -8.360 6.714 1185 3HE MET 158 3HE MET 158 1.620 -10.036 6.405 1186 H GLU 159 H GLU 159 -4.997 -10.056 4.484 1187 HA GLU 159 HA GLU 159 -5.712 -8.596 6.862 1188 1HB GLU 159 1HB GLU 159 -7.765 -10.014 5.187 1189 2HB GLU 159 2HB GLU 159 -6.847 -8.683 4.483 1190 1HG GLU 159 1HG GLU 159 -7.498 -7.369 6.618 1191 2HG GLU 159 2HG GLU 159 -8.701 -8.635 6.867 1192 H GLY 160 H GLY 160 -6.613 -11.917 5.799 1193 1HA GLY 160 1HA GLY 160 -6.613 -12.772 8.635 1194 2HA GLY 160 2HA GLY 160 -6.709 -13.838 7.235 1195 H VAL 161 H VAL 161 -8.684 -14.746 6.951 1196 HA VAL 161 HA VAL 161 -11.110 -13.154 7.613 1197 HB VAL 161 HB VAL 161 -10.915 -14.116 5.324 1198 1HG1 VAL 161 1HG1 VAL 161 -11.536 -16.860 6.126 1199 2HG1 VAL 161 2HG1 VAL 161 -9.922 -16.356 6.628 1200 3HG1 VAL 161 3HG1 VAL 161 -10.383 -16.271 4.928 1201 1HG2 VAL 161 1HG2 VAL 161 -13.115 -14.589 7.208 1202 2HG2 VAL 161 2HG2 VAL 161 -13.149 -15.675 5.820 1203 3HG2 VAL 161 3HG2 VAL 161 -13.156 -13.930 5.574 1204 H GLN 162 H GLN 162 -10.155 -13.774 9.935 1205 HA GLN 162 HA GLN 162 -11.714 -16.155 10.844 1206 1HB GLN 162 1HB GLN 162 -9.857 -16.495 12.569 1207 2HB GLN 162 2HB GLN 162 -8.878 -15.404 11.587 1208 1HG GLN 162 1HG GLN 162 -8.671 -16.924 9.866 1209 2HG GLN 162 2HG GLN 162 -10.253 -17.643 10.169 1210 1HE2 GLN 162 1HE2 GLN 162 -9.873 -19.810 10.693 1211 2HE2 GLN 162 2HE2 GLN 162 -8.700 -20.350 11.796 Start of MODEL 18 Raw file had 1211 H/Q atoms Start of MODEL 18 1 1H ALA 1 1H ALA 1 -34.851 2.908 -1.696 2 2H ALA 1 2H ALA 1 -34.596 1.892 -3.033 3 3H ALA 1 3H ALA 1 -35.357 3.397 -3.239 4 HA ALA 1 HA ALA 1 -32.553 3.027 -2.328 5 1HB ALA 1 1HB ALA 1 -33.709 3.747 -5.040 6 2HB ALA 1 2HB ALA 1 -32.733 2.332 -4.645 7 3HB ALA 1 3HB ALA 1 -32.008 3.939 -4.613 8 H SER 2 H SER 2 -33.210 4.587 -0.620 9 HA SER 2 HA SER 2 -33.195 7.377 -1.680 10 1HB SER 2 1HB SER 2 -35.504 6.890 -1.010 11 2HB SER 2 2HB SER 2 -34.783 8.031 0.122 12 HG SER 2 HG SER 2 -34.807 6.586 1.657 13 H MET 3 H MET 3 -31.954 8.815 -0.479 14 HA MET 3 HA MET 3 -30.214 9.472 0.944 15 1HB MET 3 1HB MET 3 -30.441 8.795 3.315 16 2HB MET 3 2HB MET 3 -31.645 7.591 2.852 17 1HG MET 3 1HG MET 3 -32.775 9.610 3.645 18 2HG MET 3 2HG MET 3 -33.057 9.426 1.915 19 1HE MET 3 1HE MET 3 -32.593 10.627 0.296 20 2HE MET 3 2HE MET 3 -30.873 10.964 0.105 21 3HE MET 3 3HE MET 3 -32.013 12.298 0.258 22 H THR 4 H THR 4 -29.685 7.318 -0.853 23 HA THR 4 HA THR 4 -27.411 6.055 0.580 24 HB THR 4 HB THR 4 -28.070 3.871 -0.719 25 HG1 THR 4 HG1 THR 4 -29.841 4.370 -1.806 26 1HG2 THR 4 1HG2 THR 4 -29.076 3.026 1.253 27 2HG2 THR 4 2HG2 THR 4 -29.786 4.589 1.658 28 3HG2 THR 4 3HG2 THR 4 -28.046 4.345 1.808 29 H ASP 5 H ASP 5 -26.224 7.590 -0.737 30 HA ASP 5 HA ASP 5 -26.223 7.024 -3.664 31 1HB ASP 5 1HB ASP 5 -24.639 9.178 -2.239 32 2HB ASP 5 2HB ASP 5 -26.314 9.424 -2.735 33 H GLN 6 H GLN 6 -23.925 7.449 -0.952 34 HA GLN 6 HA GLN 6 -21.699 6.235 -2.345 35 1HB GLN 6 1HB GLN 6 -20.627 6.196 -0.120 36 2HB GLN 6 2HB GLN 6 -22.164 6.608 0.634 37 1HG GLN 6 1HG GLN 6 -22.089 8.645 -1.052 38 2HG GLN 6 2HG GLN 6 -20.359 8.303 -1.073 39 1HE2 GLN 6 1HE2 GLN 6 -23.062 8.941 1.226 40 2HE2 GLN 6 2HE2 GLN 6 -22.082 9.661 2.409 41 H GLN 7 H GLN 7 -24.149 5.036 -0.053 42 HA GLN 7 HA GLN 7 -23.009 2.387 0.163 43 1HB GLN 7 1HB GLN 7 -25.939 2.958 0.557 44 2HB GLN 7 2HB GLN 7 -24.756 3.581 1.706 45 1HG GLN 7 1HG GLN 7 -23.861 1.080 1.613 46 2HG GLN 7 2HG GLN 7 -25.516 0.746 1.103 47 1HE2 GLN 7 1HE2 GLN 7 -23.543 2.007 3.787 48 2HE2 GLN 7 2HE2 GLN 7 -24.769 1.901 4.958 49 H ALA 8 H ALA 8 -25.519 3.844 -1.911 50 HA ALA 8 HA ALA 8 -26.299 1.380 -3.190 51 1HB ALA 8 1HB ALA 8 -26.506 4.251 -4.130 52 2HB ALA 8 2HB ALA 8 -27.749 3.322 -3.292 53 3HB ALA 8 3HB ALA 8 -27.277 2.882 -4.933 54 H GLU 9 H GLU 9 -23.379 3.143 -3.477 55 HA GLU 9 HA GLU 9 -22.894 1.961 -6.180 56 1HB GLU 9 1HB GLU 9 -22.641 4.410 -6.164 57 2HB GLU 9 2HB GLU 9 -21.084 3.632 -6.440 58 1HG GLU 9 1HG GLU 9 -20.459 3.960 -4.106 59 2HG GLU 9 2HG GLU 9 -22.055 4.612 -3.740 60 H ALA 10 H ALA 10 -21.547 2.371 -2.918 61 HA ALA 10 HA ALA 10 -19.176 0.791 -3.414 62 1HB ALA 10 1HB ALA 10 -19.275 2.327 -1.509 63 2HB ALA 10 2HB ALA 10 -19.044 0.681 -0.922 64 3HB ALA 10 3HB ALA 10 -20.635 1.436 -0.829 65 NH1 ARG 11 NH1 ARG 11 -25.724 -4.401 2.418 66 NH2 ARG 11 NH2 ARG 11 -26.180 -5.791 0.684 67 H ARG 11 H ARG 11 -22.522 0.072 -2.654 68 HA ARG 11 HA ARG 11 -22.119 -2.635 -1.716 69 1HB ARG 11 1HB ARG 11 -24.612 -2.788 -2.625 70 2HB ARG 11 2HB ARG 11 -24.453 -1.035 -2.712 71 1HG ARG 11 1HG ARG 11 -24.600 -0.829 -0.463 72 2HG ARG 11 2HG ARG 11 -23.405 -2.097 -0.201 73 1HD ARG 11 1HD ARG 11 -25.977 -3.120 -1.184 74 2HD ARG 11 2HD ARG 11 -26.108 -2.298 0.370 75 HE ARG 11 HE ARG 11 -23.900 -4.221 0.229 76 1HH1 ARG 11 1HH1 ARG 11 -26.747 -6.357 1.283 77 2HH1 ARG 11 2HH1 ARG 11 -26.073 -6.038 -0.280 78 1HH2 ARG 11 1HH2 ARG 11 -25.268 -3.587 2.778 79 2HH2 ARG 11 2HH2 ARG 11 -26.290 -4.964 3.021 80 H ALA 12 H ALA 12 -22.981 -1.254 -4.907 81 HA ALA 12 HA ALA 12 -22.944 -3.809 -6.272 82 1HB ALA 12 1HB ALA 12 -22.467 -1.120 -7.573 83 2HB ALA 12 2HB ALA 12 -24.072 -1.629 -7.048 84 3HB ALA 12 3HB ALA 12 -23.211 -2.555 -8.278 85 H PHE 13 H PHE 13 -20.484 -1.489 -5.366 86 HA PHE 13 HA PHE 13 -18.474 -2.289 -7.268 87 1HB PHE 13 1HB PHE 13 -18.036 -1.139 -4.496 88 2HB PHE 13 2HB PHE 13 -18.450 -0.166 -5.907 89 HD1 PHE 13 HD1 PHE 13 -16.926 -0.475 -8.017 90 HD2 PHE 13 HD2 PHE 13 -15.790 -1.615 -4.034 91 HE1 PHE 13 HE1 PHE 13 -14.538 -0.438 -8.686 92 HE2 PHE 13 HE2 PHE 13 -13.404 -1.577 -4.703 93 HZ PHE 13 HZ PHE 13 -12.778 -0.988 -7.029 94 H LEU 14 H LEU 14 -18.837 -3.134 -3.781 95 HA LEU 14 HA LEU 14 -17.166 -5.550 -4.344 96 1HB LEU 14 1HB LEU 14 -16.084 -4.285 -2.642 97 2HB LEU 14 2HB LEU 14 -16.882 -5.621 -1.809 98 HG LEU 14 HG LEU 14 -18.784 -3.521 -1.950 99 1HD1 LEU 14 1HD1 LEU 14 -18.093 -3.466 0.605 100 2HD1 LEU 14 2HD1 LEU 14 -17.154 -4.889 0.154 101 3HD1 LEU 14 3HD1 LEU 14 -18.903 -4.875 -0.077 102 1HD2 LEU 14 1HD2 LEU 14 -16.705 -2.104 -2.406 103 2HD2 LEU 14 2HD2 LEU 14 -16.177 -2.530 -0.779 104 3HD2 LEU 14 3HD2 LEU 14 -17.671 -1.624 -1.011 105 H SER 15 H SER 15 -18.232 -7.423 -4.437 106 HA SER 15 HA SER 15 -20.988 -7.636 -3.415 107 1HB SER 15 1HB SER 15 -20.932 -9.881 -4.454 108 2HB SER 15 2HB SER 15 -19.216 -9.683 -4.794 109 HG SER 15 HG SER 15 -21.404 -8.541 -6.034 110 H GLU 16 H GLU 16 -21.191 -10.176 -2.432 111 HA GLU 16 HA GLU 16 -20.148 -9.960 0.221 112 1HB GLU 16 1HB GLU 16 -20.825 -12.443 0.346 113 2HB GLU 16 2HB GLU 16 -21.368 -12.256 -1.322 114 1HG GLU 16 1HG GLU 16 -23.005 -10.652 -0.725 115 2HG GLU 16 2HG GLU 16 -22.253 -10.340 0.841 116 H GLU 17 H GLU 17 -18.791 -11.385 -2.692 117 HA GLU 17 HA GLU 17 -16.831 -13.066 -1.417 118 1HB GLU 17 1HB GLU 17 -16.404 -11.691 -4.072 119 2HB GLU 17 2HB GLU 17 -17.557 -13.015 -3.909 120 1HG GLU 17 1HG GLU 17 -15.885 -14.525 -3.951 121 2HG GLU 17 2HG GLU 17 -15.080 -13.721 -2.604 122 H MET 18 H MET 18 -16.645 -9.739 -2.732 123 HA MET 18 HA MET 18 -13.945 -9.265 -1.853 124 1HB MET 18 1HB MET 18 -15.548 -6.856 -1.909 125 2HB MET 18 2HB MET 18 -15.896 -7.855 -3.316 126 1HG MET 18 1HG MET 18 -13.377 -8.053 -3.646 127 2HG MET 18 2HG MET 18 -13.204 -6.799 -2.418 128 1HE MET 18 1HE MET 18 -13.057 -7.526 -5.823 129 2HE MET 18 2HE MET 18 -14.015 -6.394 -6.774 130 3HE MET 18 3HE MET 18 -14.815 -7.706 -5.913 131 H ILE 19 H ILE 19 -17.121 -8.450 -0.473 132 HA ILE 19 HA ILE 19 -16.362 -7.038 1.826 133 HB ILE 19 HB ILE 19 -18.588 -9.061 1.436 134 1HG1 ILE 19 1HG1 ILE 19 -18.441 -6.821 0.129 135 2HG1 ILE 19 2HG1 ILE 19 -18.802 -6.059 1.677 136 1HG2 ILE 19 1HG2 ILE 19 -18.259 -8.953 3.805 137 2HG2 ILE 19 2HG2 ILE 19 -19.599 -7.863 3.451 138 3HG2 ILE 19 3HG2 ILE 19 -17.990 -7.211 3.756 139 1HD1 ILE 19 1HD1 ILE 19 -20.985 -6.542 1.423 140 2HD1 ILE 19 2HD1 ILE 19 -20.607 -8.259 1.288 141 3HD1 ILE 19 3HD1 ILE 19 -20.630 -7.245 -0.155 142 H ALA 20 H ALA 20 -16.211 -10.548 1.274 143 HA ALA 20 HA ALA 20 -15.691 -11.348 3.969 144 1HB ALA 20 1HB ALA 20 -16.247 -12.880 2.038 145 2HB ALA 20 2HB ALA 20 -14.897 -13.420 3.036 146 3HB ALA 20 3HB ALA 20 -14.590 -12.663 1.474 147 H GLU 21 H GLU 21 -13.423 -10.514 1.312 148 HA GLU 21 HA GLU 21 -11.052 -10.886 2.910 149 1HB GLU 21 1HB GLU 21 -11.286 -8.980 0.568 150 2HB GLU 21 2HB GLU 21 -11.194 -10.728 0.348 151 1HG GLU 21 1HG GLU 21 -9.129 -10.254 2.117 152 2HG GLU 21 2HG GLU 21 -9.082 -8.812 1.104 153 H PHE 22 H PHE 22 -13.221 -8.133 2.353 154 HA PHE 22 HA PHE 22 -11.567 -6.178 3.697 155 1HB PHE 22 1HB PHE 22 -13.631 -4.816 3.793 156 2HB PHE 22 2HB PHE 22 -14.578 -6.213 3.292 157 HD1 PHE 22 HD1 PHE 22 -15.391 -5.566 1.153 158 HD2 PHE 22 HD2 PHE 22 -11.211 -5.149 2.056 159 HE1 PHE 22 HE1 PHE 22 -14.929 -5.013 -1.217 160 HE2 PHE 22 HE2 PHE 22 -10.753 -4.597 -0.314 161 HZ PHE 22 HZ PHE 22 -12.613 -4.528 -1.952 162 H LYS 23 H LYS 23 -13.819 -8.650 4.775 163 HA LYS 23 HA LYS 23 -14.344 -7.634 7.403 164 1HB LYS 23 1HB LYS 23 -14.460 -10.319 7.778 165 2HB LYS 23 2HB LYS 23 -14.579 -10.253 6.021 166 1HG LYS 23 1HG LYS 23 -16.491 -8.775 6.145 167 2HG LYS 23 2HG LYS 23 -16.300 -8.599 7.889 168 1HD LYS 23 1HD LYS 23 -16.715 -11.316 6.645 169 2HD LYS 23 2HD LYS 23 -18.088 -10.272 7.014 170 1HE LYS 23 1HE LYS 23 -17.122 -10.070 9.373 171 2HE LYS 23 2HE LYS 23 -16.030 -11.383 8.937 172 1HZ LYS 23 1HZ LYS 23 -17.991 -12.727 8.369 173 2HZ LYS 23 2HZ LYS 23 -18.999 -11.475 8.921 174 3HZ LYS 23 3HZ LYS 23 -17.963 -12.277 10.004 175 H ALA 24 H ALA 24 -11.551 -9.280 6.021 176 HA ALA 24 HA ALA 24 -10.321 -10.246 8.395 177 1HB ALA 24 1HB ALA 24 -8.801 -9.037 6.077 178 2HB ALA 24 2HB ALA 24 -9.582 -10.614 5.964 179 3HB ALA 24 3HB ALA 24 -8.298 -10.348 7.142 180 H ALA 25 H ALA 25 -9.984 -7.072 6.792 181 HA ALA 25 HA ALA 25 -8.259 -5.972 8.848 182 1HB ALA 25 1HB ALA 25 -9.993 -4.490 6.851 183 2HB ALA 25 2HB ALA 25 -8.373 -5.095 6.508 184 3HB ALA 25 3HB ALA 25 -8.606 -3.838 7.724 185 H PHE 26 H PHE 26 -11.722 -6.302 8.518 186 HA PHE 26 HA PHE 26 -12.453 -4.195 10.349 187 1HB PHE 26 1HB PHE 26 -14.157 -6.631 9.936 188 2HB PHE 26 2HB PHE 26 -13.897 -5.514 8.596 189 HD1 PHE 26 HD1 PHE 26 -15.967 -6.223 11.341 190 HD2 PHE 26 HD2 PHE 26 -14.124 -2.927 9.291 191 HE1 PHE 26 HE1 PHE 26 -17.660 -4.683 12.294 192 HE2 PHE 26 HE2 PHE 26 -15.818 -1.388 10.244 193 HZ PHE 26 HZ PHE 26 -17.585 -2.267 11.744 194 H ASP 27 H ASP 27 -11.943 -7.724 10.805 195 HA ASP 27 HA ASP 27 -12.777 -7.711 13.551 196 1HB ASP 27 1HB ASP 27 -12.718 -9.808 12.360 197 2HB ASP 27 2HB ASP 27 -11.612 -9.907 13.724 198 H MET 28 H MET 28 -9.612 -6.981 12.101 199 HA MET 28 HA MET 28 -8.152 -7.199 14.581 200 1HB MET 28 1HB MET 28 -6.802 -7.173 12.629 201 2HB MET 28 2HB MET 28 -6.489 -5.642 13.430 202 1HG MET 28 1HG MET 28 -8.182 -4.576 11.915 203 2HG MET 28 2HG MET 28 -8.292 -6.105 11.044 204 1HE MET 28 1HE MET 28 -5.095 -2.968 11.237 205 2HE MET 28 2HE MET 28 -6.620 -3.148 12.100 206 3HE MET 28 3HE MET 28 -6.628 -2.694 10.397 207 H PHE 29 H PHE 29 -9.711 -4.447 12.942 208 HA PHE 29 HA PHE 29 -9.046 -2.495 14.955 209 1HB PHE 29 1HB PHE 29 -11.360 -1.520 13.961 210 2HB PHE 29 2HB PHE 29 -10.976 -2.680 12.694 211 HD1 PHE 29 HD1 PHE 29 -9.513 0.155 14.655 212 HD2 PHE 29 HD2 PHE 29 -9.384 -2.163 11.039 213 HE1 PHE 29 HE1 PHE 29 -7.873 1.746 13.691 214 HE2 PHE 29 HE2 PHE 29 -7.744 -0.573 10.079 215 HZ PHE 29 HZ PHE 29 -6.988 1.381 11.403 216 H ASP 30 H ASP 30 -11.482 -4.953 14.667 217 HA ASP 30 HA ASP 30 -13.136 -3.959 16.885 218 1HB ASP 30 1HB ASP 30 -13.316 -6.708 15.694 219 2HB ASP 30 2HB ASP 30 -13.870 -5.314 14.769 220 H ALA 31 H ALA 31 -10.494 -4.337 17.729 221 HA ALA 31 HA ALA 31 -9.876 -6.881 18.830 222 1HB ALA 31 1HB ALA 31 -8.234 -5.044 18.670 223 2HB ALA 31 2HB ALA 31 -8.335 -5.660 20.319 224 3HB ALA 31 3HB ALA 31 -9.125 -4.140 19.894 225 H ASP 32 H ASP 32 -11.933 -4.276 20.064 226 HA ASP 32 HA ASP 32 -12.231 -5.552 22.691 227 1HB ASP 32 1HB ASP 32 -13.929 -3.732 23.051 228 2HB ASP 32 2HB ASP 32 -13.624 -3.190 21.400 229 H GLY 33 H GLY 33 -14.123 -5.312 19.676 230 1HA GLY 33 1HA GLY 33 -16.098 -7.209 20.895 231 2HA GLY 33 2HA GLY 33 -15.481 -7.430 19.260 232 H GLY 34 H GLY 34 -17.872 -7.350 18.753 233 1HA GLY 34 1HA GLY 34 -18.880 -4.534 18.610 234 2HA GLY 34 2HA GLY 34 -19.927 -5.951 18.670 235 H GLY 35 H GLY 35 -20.677 -4.583 16.639 236 1HA GLY 35 1HA GLY 35 -21.023 -5.351 14.317 237 2HA GLY 35 2HA GLY 35 -19.311 -5.768 14.253 238 H ASP 36 H ASP 36 -18.464 -3.257 15.569 239 HA ASP 36 HA ASP 36 -18.269 -1.588 13.212 240 1HB ASP 36 1HB ASP 36 -20.227 -0.463 13.543 241 2HB ASP 36 2HB ASP 36 -19.292 0.402 14.755 242 H ILE 37 H ILE 37 -16.973 0.411 13.697 243 HA ILE 37 HA ILE 37 -15.108 -0.160 15.969 244 HB ILE 37 HB ILE 37 -14.541 1.802 13.750 245 1HG1 ILE 37 1HG1 ILE 37 -13.466 -0.054 12.484 246 2HG1 ILE 37 2HG1 ILE 37 -15.208 -0.280 12.615 247 1HG2 ILE 37 1HG2 ILE 37 -12.200 1.007 14.239 248 2HG2 ILE 37 2HG2 ILE 37 -12.860 0.037 15.555 249 3HG2 ILE 37 3HG2 ILE 37 -12.986 1.794 15.606 250 1HD1 ILE 37 1HD1 ILE 37 -15.003 -2.094 14.024 251 2HD1 ILE 37 2HD1 ILE 37 -13.519 -1.490 14.759 252 3HD1 ILE 37 3HD1 ILE 37 -13.469 -2.253 13.170 253 H SER 38 H SER 38 -14.435 1.649 17.326 254 HA SER 38 HA SER 38 -16.262 4.016 17.200 255 1HB SER 38 1HB SER 38 -15.365 2.875 19.838 256 2HB SER 38 2HB SER 38 -16.750 2.169 19.008 257 HG SER 38 HG SER 38 -16.769 4.292 20.502 258 H THR 39 H THR 39 -15.288 5.579 19.168 259 HA THR 39 HA THR 39 -12.769 6.528 18.120 260 HB THR 39 HB THR 39 -12.862 8.107 20.089 261 HG1 THR 39 HG1 THR 39 -14.286 7.786 21.615 262 1HG2 THR 39 1HG2 THR 39 -15.273 7.742 18.304 263 2HG2 THR 39 2HG2 THR 39 -13.916 8.845 18.085 264 3HG2 THR 39 3HG2 THR 39 -15.088 9.134 19.369 265 H LYS 40 H LYS 40 -13.632 5.027 21.264 266 HA LYS 40 HA LYS 40 -10.943 4.867 22.240 267 1HB LYS 40 1HB LYS 40 -12.775 4.604 23.802 268 2HB LYS 40 2HB LYS 40 -11.857 3.100 23.782 269 1HG LYS 40 1HG LYS 40 -13.531 1.924 22.699 270 2HG LYS 40 2HG LYS 40 -14.174 3.359 21.902 271 1HD LYS 40 1HD LYS 40 -15.531 3.877 23.660 272 2HD LYS 40 2HD LYS 40 -14.330 3.392 24.857 273 1HE LYS 40 1HE LYS 40 -14.862 1.044 24.506 274 2HE LYS 40 2HE LYS 40 -15.949 1.450 23.179 275 1HZ LYS 40 1HZ LYS 40 -17.336 2.675 24.736 276 2HZ LYS 40 2HZ LYS 40 -16.290 2.273 26.013 277 3HZ LYS 40 3HZ LYS 40 -17.172 1.057 25.218 278 H GLU 41 H GLU 41 -12.952 2.528 20.452 279 HA GLU 41 HA GLU 41 -11.079 0.370 20.402 280 1HB GLU 41 1HB GLU 41 -12.395 -0.004 18.083 281 2HB GLU 41 2HB GLU 41 -13.475 1.175 18.824 282 1HG GLU 41 1HG GLU 41 -14.366 -0.473 20.067 283 2HG GLU 41 2HG GLU 41 -12.802 -0.693 20.849 284 H LEU 42 H LEU 42 -11.329 3.312 18.480 285 HA LEU 42 HA LEU 42 -9.577 2.501 16.335 286 1HB LEU 42 1HB LEU 42 -9.498 5.350 16.939 287 2HB LEU 42 2HB LEU 42 -11.145 4.737 16.963 288 HG LEU 42 HG LEU 42 -10.455 5.530 14.709 289 1HD1 LEU 42 1HD1 LEU 42 -8.708 4.501 13.481 290 2HD1 LEU 42 2HD1 LEU 42 -8.584 3.163 14.621 291 3HD1 LEU 42 3HD1 LEU 42 -8.027 4.770 15.085 292 1HD2 LEU 42 1HD2 LEU 42 -12.144 3.730 14.952 293 2HD2 LEU 42 2HD2 LEU 42 -10.857 2.527 14.875 294 3HD2 LEU 42 3HD2 LEU 42 -11.201 3.543 13.475 295 H GLY 43 H GLY 43 -8.966 4.818 19.002 296 1HA GLY 43 1HA GLY 43 -7.023 5.277 20.230 297 2HA GLY 43 2HA GLY 43 -6.199 5.099 18.685 298 H THR 44 H THR 44 -7.932 2.495 20.390 299 HA THR 44 HA THR 44 -5.584 1.336 21.603 300 HB THR 44 HB THR 44 -7.054 -0.793 21.592 301 HG1 THR 44 HG1 THR 44 -8.613 -0.548 20.196 302 1HG2 THR 44 1HG2 THR 44 -8.494 0.123 23.383 303 2HG2 THR 44 2HG2 THR 44 -8.063 1.757 22.879 304 3HG2 THR 44 3HG2 THR 44 -6.830 0.683 23.539 305 H VAL 45 H VAL 45 -7.284 0.682 18.539 306 HA VAL 45 HA VAL 45 -5.485 -1.424 17.711 307 HB VAL 45 HB VAL 45 -7.310 0.329 16.032 308 1HG1 VAL 45 1HG1 VAL 45 -7.228 -1.702 14.506 309 2HG1 VAL 45 2HG1 VAL 45 -5.887 -2.291 15.489 310 3HG1 VAL 45 3HG1 VAL 45 -5.727 -0.778 14.596 311 1HG2 VAL 45 1HG2 VAL 45 -7.957 -2.487 16.807 312 2HG2 VAL 45 2HG2 VAL 45 -9.042 -1.129 16.508 313 3HG2 VAL 45 3HG2 VAL 45 -8.163 -1.234 18.031 314 H MET 46 H MET 46 -5.454 2.107 17.320 315 HA MET 46 HA MET 46 -3.418 2.188 15.280 316 1HB MET 46 1HB MET 46 -3.139 4.515 15.869 317 2HB MET 46 2HB MET 46 -3.880 4.259 17.447 318 1HG MET 46 1HG MET 46 -5.987 4.327 16.605 319 2HG MET 46 2HG MET 46 -5.547 3.438 15.147 320 1HE MET 46 1HE MET 46 -5.287 5.857 12.488 321 2HE MET 46 2HE MET 46 -5.914 4.335 13.118 322 3HE MET 46 3HE MET 46 -4.175 4.612 13.076 323 NH1 ARG 47 NH1 ARG 47 -2.463 6.712 22.334 324 NH2 ARG 47 NH2 ARG 47 -3.295 6.195 24.380 325 H ARG 47 H ARG 47 -3.300 2.261 18.838 326 HA ARG 47 HA ARG 47 -0.480 2.565 19.118 327 1HB ARG 47 1HB ARG 47 -1.086 1.173 21.336 328 2HB ARG 47 2HB ARG 47 -2.716 1.632 20.844 329 1HG ARG 47 1HG ARG 47 -1.376 3.981 20.471 330 2HG ARG 47 2HG ARG 47 -0.494 3.309 21.840 331 1HD ARG 47 1HD ARG 47 -2.947 2.814 22.738 332 2HD ARG 47 2HD ARG 47 -3.365 4.138 21.651 333 HE ARG 47 HE ARG 47 -1.335 4.424 23.835 334 1HH1 ARG 47 1HH1 ARG 47 -3.708 7.104 24.444 335 2HH1 ARG 47 2HH1 ARG 47 -3.406 5.543 25.132 336 1HH2 ARG 47 1HH2 ARG 47 -1.939 6.454 21.524 337 2HH2 ARG 47 2HH2 ARG 47 -2.874 7.621 22.395 338 H MET 48 H MET 48 -2.386 -0.248 18.221 339 HA MET 48 HA MET 48 -0.538 -2.288 19.000 340 1HB MET 48 1HB MET 48 -3.006 -2.349 17.896 341 2HB MET 48 2HB MET 48 -1.916 -3.730 17.862 342 1HG MET 48 1HG MET 48 -1.172 -3.159 15.619 343 2HG MET 48 2HG MET 48 -2.094 -1.658 15.653 344 1HE MET 48 1HE MET 48 -4.145 -3.401 13.066 345 2HE MET 48 2HE MET 48 -2.494 -3.986 13.250 346 3HE MET 48 3HE MET 48 -2.844 -2.274 13.469 347 H LEU 49 H LEU 49 -0.675 -0.157 16.177 348 HA LEU 49 HA LEU 49 1.554 -1.484 14.821 349 1HB LEU 49 1HB LEU 49 0.564 1.306 14.226 350 2HB LEU 49 2HB LEU 49 -0.379 -0.106 13.753 351 HG LEU 49 HG LEU 49 2.168 -0.775 12.905 352 1HD1 LEU 49 1HD1 LEU 49 1.280 -0.406 10.664 353 2HD1 LEU 49 2HD1 LEU 49 0.048 0.684 11.299 354 3HD1 LEU 49 3HD1 LEU 49 -0.004 -1.033 11.696 355 1HD2 LEU 49 1HD2 LEU 49 2.905 1.560 13.420 356 2HD2 LEU 49 2HD2 LEU 49 1.695 2.161 12.288 357 3HD2 LEU 49 3HD2 LEU 49 3.033 1.173 11.705 358 H GLY 50 H GLY 50 1.139 1.129 17.139 359 1HA GLY 50 1HA GLY 50 4.079 1.682 16.955 360 2HA GLY 50 2HA GLY 50 3.234 1.559 18.495 361 H GLN 51 H GLN 51 0.959 3.057 16.762 362 HA GLN 51 HA GLN 51 2.132 5.763 16.690 363 1HB GLN 51 1HB GLN 51 -0.781 5.132 16.241 364 2HB GLN 51 2HB GLN 51 0.411 4.730 15.005 365 1HG GLN 51 1HG GLN 51 1.186 7.105 15.042 366 2HG GLN 51 2HG GLN 51 -0.099 7.476 16.191 367 1HE2 GLN 51 1HE2 GLN 51 -2.378 7.184 15.396 368 2HE2 GLN 51 2HE2 GLN 51 -2.698 7.277 13.731 369 H ASN 52 H ASN 52 1.005 7.555 17.860 370 HA ASN 52 HA ASN 52 -0.336 6.627 20.368 371 1HB ASN 52 1HB ASN 52 1.508 9.008 20.341 372 2HB ASN 52 2HB ASN 52 2.167 7.386 20.527 373 1HD2 ASN 52 1HD2 ASN 52 1.547 9.874 22.425 374 2HD2 ASN 52 2HD2 ASN 52 0.896 9.117 23.797 375 HA PRO 53 HA PRO 53 -2.746 9.978 18.215 376 1HB PRO 53 1HB PRO 53 -3.722 8.579 16.670 377 2HB PRO 53 2HB PRO 53 -5.038 8.508 17.853 378 1HG PRO 53 1HG PRO 53 -3.614 6.296 16.967 379 2HG PRO 53 2HG PRO 53 -4.461 6.365 18.520 380 1HD PRO 53 1HD PRO 53 -1.568 6.359 17.982 381 2HD PRO 53 2HD PRO 53 -2.412 6.126 19.529 382 H THR 54 H THR 54 -4.568 11.149 19.142 383 HA THR 54 HA THR 54 -4.998 10.541 22.006 384 HB THR 54 HB THR 54 -6.289 12.919 20.779 385 HG1 THR 54 HG1 THR 54 -4.516 13.825 20.110 386 1HG2 THR 54 1HG2 THR 54 -6.187 12.388 23.231 387 2HG2 THR 54 2HG2 THR 54 -5.520 13.966 22.810 388 3HG2 THR 54 3HG2 THR 54 -4.440 12.614 23.150 389 H LYS 55 H LYS 55 -7.122 10.332 22.902 390 HA LYS 55 HA LYS 55 -9.013 8.897 21.271 391 1HB LYS 55 1HB LYS 55 -10.536 9.433 23.355 392 2HB LYS 55 2HB LYS 55 -9.029 10.017 24.060 393 1HG LYS 55 1HG LYS 55 -8.211 7.634 23.000 394 2HG LYS 55 2HG LYS 55 -9.879 7.250 23.427 395 1HD LYS 55 1HD LYS 55 -9.506 7.941 25.724 396 2HD LYS 55 2HD LYS 55 -7.893 8.534 25.326 397 1HE LYS 55 1HE LYS 55 -7.350 6.150 24.586 398 2HE LYS 55 2HE LYS 55 -8.868 5.667 25.341 399 1HZ LYS 55 1HZ LYS 55 -6.622 7.056 26.701 400 2HZ LYS 55 2HZ LYS 55 -7.017 5.413 26.862 401 3HZ LYS 55 3HZ LYS 55 -8.086 6.605 27.429 402 H GLU 56 H GLU 56 -9.112 12.196 22.682 403 HA GLU 56 HA GLU 56 -11.591 12.924 21.414 404 1HB GLU 56 1HB GLU 56 -10.733 14.164 23.355 405 2HB GLU 56 2HB GLU 56 -10.960 15.252 21.987 406 1HG GLU 56 1HG GLU 56 -8.489 14.890 21.454 407 2HG GLU 56 2HG GLU 56 -8.358 14.096 23.023 408 H GLU 57 H GLU 57 -8.229 13.011 20.365 409 HA GLU 57 HA GLU 57 -8.658 14.687 18.040 410 1HB GLU 57 1HB GLU 57 -6.492 12.596 18.416 411 2HB GLU 57 2HB GLU 57 -6.415 14.203 19.136 412 1HG GLU 57 1HG GLU 57 -6.780 13.724 16.164 413 2HG GLU 57 2HG GLU 57 -5.207 13.980 16.920 414 H LEU 58 H LEU 58 -8.620 11.179 18.622 415 HA LEU 58 HA LEU 58 -9.008 10.401 15.880 416 1HB LEU 58 1HB LEU 58 -10.173 8.416 17.477 417 2HB LEU 58 2HB LEU 58 -8.909 9.115 18.490 418 HG LEU 58 HG LEU 58 -7.401 8.928 16.409 419 1HD1 LEU 58 1HD1 LEU 58 -6.721 7.390 17.962 420 2HD1 LEU 58 2HD1 LEU 58 -7.418 6.249 16.815 421 3HD1 LEU 58 3HD1 LEU 58 -8.352 6.771 18.216 422 1HD2 LEU 58 1HD2 LEU 58 -9.029 8.535 14.703 423 2HD2 LEU 58 2HD2 LEU 58 -9.768 7.219 15.616 424 3HD2 LEU 58 3HD2 LEU 58 -8.167 7.010 14.905 425 H ASP 59 H ASP 59 -11.174 11.459 18.404 426 HA ASP 59 HA ASP 59 -13.660 10.522 17.407 427 1HB ASP 59 1HB ASP 59 -13.420 13.276 18.590 428 2HB ASP 59 2HB ASP 59 -13.044 11.877 19.593 429 H ALA 60 H ALA 60 -11.756 13.411 16.562 430 HA ALA 60 HA ALA 60 -13.719 14.458 14.702 431 1HB ALA 60 1HB ALA 60 -11.867 15.935 13.953 432 2HB ALA 60 2HB ALA 60 -10.738 14.990 14.923 433 3HB ALA 60 3HB ALA 60 -12.011 15.922 15.709 434 H ILE 61 H ILE 61 -10.921 12.324 14.456 435 HA ILE 61 HA ILE 61 -10.705 12.182 11.622 436 HB ILE 61 HB ILE 61 -10.047 10.289 13.881 437 1HG1 ILE 61 1HG1 ILE 61 -8.737 12.448 13.201 438 2HG1 ILE 61 2HG1 ILE 61 -8.168 11.474 11.844 439 1HG2 ILE 61 1HG2 ILE 61 -9.819 9.800 10.898 440 2HG2 ILE 61 2HG2 ILE 61 -10.546 8.753 12.118 441 3HG2 ILE 61 3HG2 ILE 61 -8.796 8.962 12.065 442 1HD1 ILE 61 1HD1 ILE 61 -7.653 9.696 13.724 443 2HD1 ILE 61 2HD1 ILE 61 -7.680 11.105 14.785 444 3HD1 ILE 61 3HD1 ILE 61 -6.532 11.030 13.449 445 H ILE 62 H ILE 62 -12.859 10.519 13.906 446 HA ILE 62 HA ILE 62 -13.976 8.755 11.854 447 HB ILE 62 HB ILE 62 -15.036 9.425 14.623 448 1HG1 ILE 62 1HG1 ILE 62 -12.755 8.449 14.664 449 2HG1 ILE 62 2HG1 ILE 62 -13.315 7.111 13.664 450 1HG2 ILE 62 1HG2 ILE 62 -16.809 8.448 13.366 451 2HG2 ILE 62 2HG2 ILE 62 -16.112 7.110 14.278 452 3HG2 ILE 62 3HG2 ILE 62 -15.722 7.312 12.570 453 1HD1 ILE 62 1HD1 ILE 62 -14.718 7.743 16.249 454 2HD1 ILE 62 2HD1 ILE 62 -13.222 6.810 16.267 455 3HD1 ILE 62 3HD1 ILE 62 -14.625 6.210 15.383 456 H GLU 63 H GLU 63 -14.844 11.830 13.392 457 HA GLU 63 HA GLU 63 -17.473 12.157 12.389 458 1HB GLU 63 1HB GLU 63 -16.045 14.659 12.269 459 2HB GLU 63 2HB GLU 63 -15.536 13.767 13.701 460 1HG GLU 63 1HG GLU 63 -17.753 13.636 14.538 461 2HG GLU 63 2HG GLU 63 -18.453 14.086 12.983 462 H GLU 64 H GLU 64 -14.336 12.911 10.856 463 HA GLU 64 HA GLU 64 -15.409 14.092 8.476 464 1HB GLU 64 1HB GLU 64 -12.937 12.607 8.023 465 2HB GLU 64 2HB GLU 64 -12.856 13.571 9.497 466 1HG GLU 64 1HG GLU 64 -13.982 15.397 7.881 467 2HG GLU 64 2HG GLU 64 -13.130 14.453 6.659 468 H VAL 65 H VAL 65 -14.692 10.728 9.362 469 HA VAL 65 HA VAL 65 -15.245 9.636 6.731 470 HB VAL 65 HB VAL 65 -15.281 8.281 9.452 471 1HG1 VAL 65 1HG1 VAL 65 -14.853 6.223 8.095 472 2HG1 VAL 65 2HG1 VAL 65 -15.113 7.173 6.633 473 3HG1 VAL 65 3HG1 VAL 65 -16.433 6.936 7.776 474 1HG2 VAL 65 1HG2 VAL 65 -12.986 7.730 9.065 475 2HG2 VAL 65 2HG2 VAL 65 -13.125 9.452 8.708 476 3HG2 VAL 65 3HG2 VAL 65 -13.063 8.281 7.391 477 H ASP 66 H ASP 66 -17.200 10.484 9.517 478 HA ASP 66 HA ASP 66 -19.556 8.982 8.787 479 1HB ASP 66 1HB ASP 66 -20.703 10.516 10.410 480 2HB ASP 66 2HB ASP 66 -19.195 11.411 10.572 481 H GLU 67 H GLU 67 -19.377 9.686 6.445 482 HA GLU 67 HA GLU 67 -19.967 12.366 5.616 483 1HB GLU 67 1HB GLU 67 -20.943 10.064 3.976 484 2HB GLU 67 2HB GLU 67 -19.207 10.190 4.263 485 1HG GLU 67 1HG GLU 67 -20.578 12.710 3.489 486 2HG GLU 67 2HG GLU 67 -20.480 11.474 2.235 487 H ASP 68 H ASP 68 -22.050 9.643 6.524 488 HA ASP 68 HA ASP 68 -24.499 11.071 5.757 489 1HB ASP 68 1HB ASP 68 -25.614 9.101 6.914 490 2HB ASP 68 2HB ASP 68 -23.999 8.455 7.206 491 H GLY 69 H GLY 69 -22.592 10.529 8.686 492 1HA GLY 69 1HA GLY 69 -24.414 12.413 10.113 493 2HA GLY 69 2HA GLY 69 -22.710 12.176 10.495 494 H SER 70 H SER 70 -22.331 9.594 10.894 495 HA SER 70 HA SER 70 -24.538 8.508 12.558 496 1HB SER 70 1HB SER 70 -21.913 7.238 11.717 497 2HB SER 70 2HB SER 70 -23.453 7.016 10.895 498 HG SER 70 HG SER 70 -24.256 5.937 12.601 499 H GLY 71 H GLY 71 -20.971 8.706 12.894 500 1HA GLY 71 1HA GLY 71 -21.345 9.034 15.834 501 2HA GLY 71 2HA GLY 71 -20.323 10.174 14.956 502 H THR 72 H THR 72 -20.725 6.612 14.893 503 HA THR 72 HA THR 72 -17.797 6.340 15.441 504 HB THR 72 HB THR 72 -18.461 3.930 15.982 505 HG1 THR 72 HG1 THR 72 -20.417 3.637 15.166 506 1HG2 THR 72 1HG2 THR 72 -18.041 5.634 17.718 507 2HG2 THR 72 2HG2 THR 72 -19.322 4.523 18.204 508 3HG2 THR 72 3HG2 THR 72 -19.729 6.138 17.624 509 H ILE 73 H ILE 73 -17.150 3.928 14.369 510 HA ILE 73 HA ILE 73 -17.736 4.356 11.475 511 HB ILE 73 HB ILE 73 -15.692 2.389 12.443 512 1HG1 ILE 73 1HG1 ILE 73 -15.268 4.482 13.726 513 2HG1 ILE 73 2HG1 ILE 73 -15.255 5.389 12.215 514 1HG2 ILE 73 1HG2 ILE 73 -15.703 4.312 10.102 515 2HG2 ILE 73 2HG2 ILE 73 -16.359 2.677 10.023 516 3HG2 ILE 73 3HG2 ILE 73 -14.642 2.922 10.338 517 1HD1 ILE 73 1HD1 ILE 73 -13.392 3.067 12.785 518 2HD1 ILE 73 2HD1 ILE 73 -12.964 4.751 13.089 519 3HD1 ILE 73 3HD1 ILE 73 -13.298 4.208 11.444 520 H ASP 74 H ASP 74 -18.807 2.879 10.322 521 HA ASP 74 HA ASP 74 -19.864 0.473 11.723 522 1HB ASP 74 1HB ASP 74 -21.627 0.518 9.976 523 2HB ASP 74 2HB ASP 74 -20.847 1.912 9.237 524 H PHE 75 H PHE 75 -20.350 -1.374 10.019 525 HA PHE 75 HA PHE 75 -17.809 -2.142 8.852 526 1HB PHE 75 1HB PHE 75 -20.537 -3.400 8.411 527 2HB PHE 75 2HB PHE 75 -19.456 -3.806 9.743 528 HD1 PHE 75 HD1 PHE 75 -16.830 -3.966 8.655 529 HD2 PHE 75 HD2 PHE 75 -20.533 -5.090 6.797 530 HE1 PHE 75 HE1 PHE 75 -15.608 -5.531 7.174 531 HE2 PHE 75 HE2 PHE 75 -19.311 -6.657 5.316 532 HZ PHE 75 HZ PHE 75 -16.847 -6.876 5.503 533 H GLU 76 H GLU 76 -20.960 -1.124 7.516 534 HA GLU 76 HA GLU 76 -20.047 -1.162 4.766 535 1HB GLU 76 1HB GLU 76 -22.112 0.412 4.491 536 2HB GLU 76 2HB GLU 76 -22.429 0.030 6.184 537 1HG GLU 76 1HG GLU 76 -22.913 -2.184 5.731 538 2HG GLU 76 2HG GLU 76 -21.832 -2.247 4.340 539 H GLU 77 H GLU 77 -19.658 1.058 7.409 540 HA GLU 77 HA GLU 77 -19.126 3.436 5.804 541 1HB GLU 77 1HB GLU 77 -17.839 3.094 8.478 542 2HB GLU 77 2HB GLU 77 -19.601 3.097 8.449 543 1HG GLU 77 1HG GLU 77 -19.549 5.251 7.202 544 2HG GLU 77 2HG GLU 77 -17.790 5.252 7.312 545 H PHE 78 H PHE 78 -17.360 0.745 7.174 546 HA PHE 78 HA PHE 78 -14.702 1.602 6.463 547 1HB PHE 78 1HB PHE 78 -15.988 -1.037 7.191 548 2HB PHE 78 2HB PHE 78 -14.954 -0.031 8.194 549 HD1 PHE 78 HD1 PHE 78 -15.053 -2.903 6.178 550 HD2 PHE 78 HD2 PHE 78 -12.533 0.451 7.103 551 HE1 PHE 78 HE1 PHE 78 -13.080 -4.157 5.355 552 HE2 PHE 78 HE2 PHE 78 -10.561 -0.805 6.279 553 HZ PHE 78 HZ PHE 78 -10.834 -3.108 5.406 554 H LEU 79 H LEU 79 -17.211 -0.374 4.903 555 HA LEU 79 HA LEU 79 -15.567 -1.220 2.671 556 1HB LEU 79 1HB LEU 79 -17.705 -1.891 1.641 557 2HB LEU 79 2HB LEU 79 -18.576 -1.006 2.891 558 HG LEU 79 HG LEU 79 -17.290 -2.483 4.576 559 1HD1 LEU 79 1HD1 LEU 79 -19.104 -3.894 4.658 560 2HD1 LEU 79 2HD1 LEU 79 -19.062 -4.222 2.926 561 3HD1 LEU 79 3HD1 LEU 79 -19.748 -2.711 3.521 562 1HD2 LEU 79 1HD2 LEU 79 -15.757 -3.260 2.594 563 2HD2 LEU 79 2HD2 LEU 79 -17.065 -4.394 2.261 564 3HD2 LEU 79 3HD2 LEU 79 -16.237 -4.436 3.816 565 H VAL 80 H VAL 80 -18.154 1.260 2.925 566 HA VAL 80 HA VAL 80 -17.809 2.314 0.299 567 HB VAL 80 HB VAL 80 -19.740 2.771 1.896 568 1HG1 VAL 80 1HG1 VAL 80 -19.538 4.566 3.489 569 2HG1 VAL 80 2HG1 VAL 80 -17.894 4.921 2.962 570 3HG1 VAL 80 3HG1 VAL 80 -18.240 3.421 3.819 571 1HG2 VAL 80 1HG2 VAL 80 -19.819 5.275 1.158 572 2HG2 VAL 80 2HG2 VAL 80 -19.798 4.024 -0.084 573 3HG2 VAL 80 3HG2 VAL 80 -18.319 4.899 0.312 574 H MET 81 H MET 81 -16.011 2.800 3.265 575 HA MET 81 HA MET 81 -14.619 5.198 2.512 576 1HB MET 81 1HB MET 81 -14.224 2.996 4.517 577 2HB MET 81 2HB MET 81 -14.444 4.719 4.791 578 1HG MET 81 1HG MET 81 -12.138 4.928 3.559 579 2HG MET 81 2HG MET 81 -11.975 3.228 3.993 580 1HE MET 81 1HE MET 81 -10.598 2.720 5.560 581 2HE MET 81 2HE MET 81 -11.916 2.359 6.671 582 3HE MET 81 3HE MET 81 -10.519 3.266 7.240 583 H MET 82 H MET 82 -13.944 1.714 2.119 584 HA MET 82 HA MET 82 -11.402 2.128 0.758 585 1HB MET 82 1HB MET 82 -13.124 -0.307 0.337 586 2HB MET 82 2HB MET 82 -12.370 -0.037 1.908 587 1HG MET 82 1HG MET 82 -10.221 0.400 0.376 588 2HG MET 82 2HG MET 82 -11.106 -0.649 -0.731 589 1HE MET 82 1HE MET 82 -8.654 -1.740 2.828 590 2HE MET 82 2HE MET 82 -9.644 -0.286 2.918 591 3HE MET 82 3HE MET 82 -8.501 -0.484 1.592 592 H VAL 83 H VAL 83 -14.779 1.942 -0.189 593 HA VAL 83 HA VAL 83 -14.375 1.676 -3.027 594 HB VAL 83 HB VAL 83 -16.662 2.445 -1.219 595 1HG1 VAL 83 1HG1 VAL 83 -16.575 2.635 -4.241 596 2HG1 VAL 83 2HG1 VAL 83 -17.034 3.895 -3.096 597 3HG1 VAL 83 3HG1 VAL 83 -18.077 2.493 -3.330 598 1HG2 VAL 83 1HG2 VAL 83 -16.856 0.200 -1.334 599 2HG2 VAL 83 2HG2 VAL 83 -15.692 0.090 -2.653 600 3HG2 VAL 83 3HG2 VAL 83 -17.388 0.424 -2.999 601 NH1 ARG 84 NH1 ARG 84 -15.297 11.140 0.589 602 NH2 ARG 84 NH2 ARG 84 -16.836 9.708 -0.258 603 H ARG 84 H ARG 84 -14.294 4.417 -0.823 604 HA ARG 84 HA ARG 84 -14.226 6.279 -3.163 605 1HB ARG 84 1HB ARG 84 -15.951 6.793 -1.476 606 2HB ARG 84 2HB ARG 84 -14.739 8.068 -1.566 607 1HG ARG 84 1HG ARG 84 -13.859 6.126 0.349 608 2HG ARG 84 2HG ARG 84 -15.529 6.548 0.720 609 1HD ARG 84 1HD ARG 84 -13.625 8.763 0.061 610 2HD ARG 84 2HD ARG 84 -13.504 8.005 1.648 611 HE ARG 84 HE ARG 84 -15.749 8.780 2.145 612 1HH1 ARG 84 1HH1 ARG 84 -15.668 11.876 0.022 613 2HH1 ARG 84 2HH1 ARG 84 -14.524 11.321 1.198 614 1HH2 ARG 84 1HH2 ARG 84 -17.240 8.793 -0.298 615 2HH2 ARG 84 2HH2 ARG 84 -17.208 10.442 -0.826 616 H GLN 85 H GLN 85 -12.014 4.580 -2.165 617 HA GLN 85 HA GLN 85 -10.019 6.747 -1.694 618 1HB GLN 85 1HB GLN 85 -8.838 4.684 -0.406 619 2HB GLN 85 2HB GLN 85 -10.526 4.289 -0.090 620 1HG GLN 85 1HG GLN 85 -10.898 6.268 1.102 621 2HG GLN 85 2HG GLN 85 -9.551 7.104 0.329 622 1HE2 GLN 85 1HE2 GLN 85 -10.436 5.787 3.247 623 2HE2 GLN 85 2HE2 GLN 85 -8.907 5.370 3.848 624 H MET 86 H MET 86 -10.578 3.372 -2.728 625 HA MET 86 HA MET 86 -8.057 3.418 -4.292 626 1HB MET 86 1HB MET 86 -8.864 1.010 -4.838 627 2HB MET 86 2HB MET 86 -10.063 1.281 -3.573 628 1HG MET 86 1HG MET 86 -8.484 1.292 -1.896 629 2HG MET 86 2HG MET 86 -7.234 1.979 -2.933 630 1HE MET 86 1HE MET 86 -8.492 -2.221 -2.089 631 2HE MET 86 2HE MET 86 -9.381 -1.645 -3.497 632 3HE MET 86 3HE MET 86 -9.427 -0.723 -1.997 633 H LYS 87 H LYS 87 -10.215 5.205 -5.148 634 HA LYS 87 HA LYS 87 -11.485 3.937 -7.467 635 1HB LYS 87 1HB LYS 87 -12.388 6.210 -7.900 636 2HB LYS 87 2HB LYS 87 -11.383 6.846 -6.598 637 1HG LYS 87 1HG LYS 87 -12.567 5.568 -4.948 638 2HG LYS 87 2HG LYS 87 -13.396 4.622 -6.184 639 1HD LYS 87 1HD LYS 87 -15.008 6.217 -5.501 640 2HD LYS 87 2HD LYS 87 -14.353 6.886 -6.994 641 1HE LYS 87 1HE LYS 87 -12.800 7.688 -4.648 642 2HE LYS 87 2HE LYS 87 -14.486 8.189 -4.532 643 1HZ LYS 87 1HZ LYS 87 -12.676 8.719 -6.827 644 2HZ LYS 87 2HZ LYS 87 -13.157 9.853 -5.658 645 3HZ LYS 87 3HZ LYS 87 -14.302 9.191 -6.726 646 H GLU 88 H GLU 88 -10.518 7.034 -8.433 647 HA GLU 88 HA GLU 88 -8.572 5.867 -10.320 648 1HB GLU 88 1HB GLU 88 -9.462 8.750 -10.226 649 2HB GLU 88 2HB GLU 88 -10.465 7.495 -10.952 650 1HG GLU 88 1HG GLU 88 -9.282 7.899 -12.845 651 2HG GLU 88 2HG GLU 88 -7.987 6.991 -12.066 652 H ASP 89 H ASP 89 -8.672 8.322 -7.751 653 HA ASP 89 HA ASP 89 -6.070 9.386 -8.065 654 1HB ASP 89 1HB ASP 89 -7.540 8.935 -5.448 655 2HB ASP 89 2HB ASP 89 -7.799 10.306 -6.524 656 H ALA 90 H ALA 90 -7.008 6.801 -5.723 657 HA ALA 90 HA ALA 90 -4.209 6.088 -5.297 658 1HB ALA 90 1HB ALA 90 -6.673 4.513 -4.502 659 2HB ALA 90 2HB ALA 90 -6.020 5.848 -3.553 660 3HB ALA 90 3HB ALA 90 -5.059 4.391 -3.802 661 H LYS 91 H LYS 91 -3.497 5.542 -7.438 662 HA LYS 91 HA LYS 91 -4.810 3.514 -9.038 663 1HB LYS 91 1HB LYS 91 -2.667 3.540 -10.345 664 2HB LYS 91 2HB LYS 91 -1.992 4.635 -9.138 665 1HG LYS 91 1HG LYS 91 -2.783 6.130 -10.754 666 2HG LYS 91 2HG LYS 91 -4.143 6.063 -9.634 667 1HD LYS 91 1HD LYS 91 -5.397 4.664 -11.060 668 2HD LYS 91 2HD LYS 91 -3.972 4.165 -11.974 669 1HE LYS 91 1HE LYS 91 -3.758 6.449 -12.886 670 2HE LYS 91 2HE LYS 91 -5.172 6.953 -11.962 671 1HZ LYS 91 1HZ LYS 91 -5.169 4.803 -14.010 672 2HZ LYS 91 2HZ LYS 91 -5.698 6.395 -14.277 673 3HZ LYS 91 3HZ LYS 91 -6.521 5.398 -13.174 674 H GLY 92 H GLY 92 -2.173 3.496 -6.660 675 1HA GLY 92 1HA GLY 92 -1.260 0.816 -7.088 676 2HA GLY 92 2HA GLY 92 -2.565 0.781 -5.896 677 H LYS 93 H LYS 93 -2.041 3.339 -4.767 678 HA LYS 93 HA LYS 93 0.715 3.258 -3.748 679 1HB LYS 93 1HB LYS 93 -1.004 5.296 -2.609 680 2HB LYS 93 2HB LYS 93 -1.106 5.309 -4.358 681 1HG LYS 93 1HG LYS 93 1.359 5.272 -4.465 682 2HG LYS 93 2HG LYS 93 1.422 5.448 -2.709 683 1HD LYS 93 1HD LYS 93 -0.266 7.483 -3.341 684 2HD LYS 93 2HD LYS 93 0.724 7.444 -4.799 685 1HE LYS 93 1HE LYS 93 1.941 7.450 -2.030 686 2HE LYS 93 2HE LYS 93 1.554 8.944 -2.883 687 1HZ LYS 93 1HZ LYS 93 3.800 8.415 -3.356 688 2HZ LYS 93 2HZ LYS 93 2.914 8.072 -4.764 689 3HZ LYS 93 3HZ LYS 93 3.423 6.809 -3.748 690 H SER 94 H SER 94 -2.637 2.954 -2.551 691 HA SER 94 HA SER 94 -1.876 2.638 0.224 692 1HB SER 94 1HB SER 94 -4.144 3.297 -0.278 693 2HB SER 94 2HB SER 94 -4.211 1.698 0.455 694 HG SER 94 HG SER 94 -5.378 2.208 -1.669 695 H GLU 95 H GLU 95 -2.578 0.353 -2.421 696 HA GLU 95 HA GLU 95 -2.240 -2.025 -0.815 697 1HB GLU 95 1HB GLU 95 -2.057 -3.162 -3.056 698 2HB GLU 95 2HB GLU 95 -2.126 -1.570 -3.808 699 1HG GLU 95 1HG GLU 95 -4.306 -1.190 -2.575 700 2HG GLU 95 2HG GLU 95 -4.250 -2.886 -2.089 701 H GLU 96 H GLU 96 0.038 0.219 -2.083 702 HA GLU 96 HA GLU 96 2.243 -1.427 -2.745 703 1HB GLU 96 1HB GLU 96 2.576 1.178 -1.266 704 2HB GLU 96 2HB GLU 96 1.972 1.151 -2.923 705 1HG GLU 96 1HG GLU 96 4.541 -0.218 -2.073 706 2HG GLU 96 2HG GLU 96 4.490 1.431 -2.696 707 H GLU 97 H GLU 97 0.902 -0.660 0.418 708 HA GLU 97 HA GLU 97 3.159 -1.195 2.055 709 1HB GLU 97 1HB GLU 97 0.967 -2.246 3.443 710 2HB GLU 97 2HB GLU 97 0.266 -1.008 2.403 711 1HG GLU 97 1HG GLU 97 0.886 0.183 4.345 712 2HG GLU 97 2HG GLU 97 2.218 0.492 3.231 713 H LEU 98 H LEU 98 0.521 -3.489 1.220 714 HA LEU 98 HA LEU 98 2.013 -5.791 2.140 715 1HB LEU 98 1HB LEU 98 0.190 -7.017 0.737 716 2HB LEU 98 2HB LEU 98 -0.520 -5.415 0.552 717 HG LEU 98 HG LEU 98 0.293 -6.223 3.304 718 1HD1 LEU 98 1HD1 LEU 98 -1.928 -4.648 1.997 719 2HD1 LEU 98 2HD1 LEU 98 -0.693 -4.077 3.119 720 3HD1 LEU 98 3HD1 LEU 98 -2.003 -5.104 3.700 721 1HD2 LEU 98 1HD2 LEU 98 -2.060 -7.307 3.484 722 2HD2 LEU 98 2HD2 LEU 98 -0.764 -8.268 2.773 723 3HD2 LEU 98 3HD2 LEU 98 -1.953 -7.485 1.732 724 H ALA 99 H ALA 99 1.902 -4.026 -0.876 725 HA ALA 99 HA ALA 99 2.812 -6.084 -2.648 726 1HB ALA 99 1HB ALA 99 3.422 -4.284 -4.149 727 2HB ALA 99 2HB ALA 99 3.456 -3.125 -2.821 728 3HB ALA 99 3HB ALA 99 1.923 -3.823 -3.341 729 H ASN 100 H ASN 100 4.502 -3.965 -0.379 730 HA ASN 100 HA ASN 100 7.172 -4.510 -1.305 731 1HB ASN 100 1HB ASN 100 6.941 -4.035 1.578 732 2HB ASN 100 2HB ASN 100 6.031 -2.859 0.627 733 1HD2 ASN 100 1HD2 ASN 100 7.243 -1.419 -0.785 734 2HD2 ASN 100 2HD2 ASN 100 8.936 -1.310 -0.711 735 H CYS 101 H CYS 101 5.185 -5.925 1.326 736 HA CYS 101 HA CYS 101 7.138 -7.934 2.044 737 1HB CYS 101 1HB CYS 101 5.186 -9.054 3.164 738 2HB CYS 101 2HB CYS 101 4.133 -7.829 2.457 739 HG CYS 101 HG CYS 101 5.245 -6.024 3.916 740 H PHE 102 H PHE 102 4.569 -7.746 -0.355 741 HA PHE 102 HA PHE 102 4.390 -10.509 -1.060 742 1HB PHE 102 1HB PHE 102 4.094 -8.145 -2.935 743 2HB PHE 102 2HB PHE 102 2.846 -8.623 -1.788 744 HD1 PHE 102 HD1 PHE 102 2.373 -11.307 -1.839 745 HD2 PHE 102 HD2 PHE 102 3.866 -8.944 -5.099 746 HE1 PHE 102 HE1 PHE 102 1.542 -12.999 -3.446 747 HE2 PHE 102 HE2 PHE 102 3.037 -10.637 -6.706 748 HZ PHE 102 HZ PHE 102 1.869 -12.666 -5.883 749 NH1 ARG 103 NH1 ARG 103 10.068 -4.177 -7.561 750 NH2 ARG 103 NH2 ARG 103 11.353 -5.184 -5.986 751 H ARG 103 H ARG 103 6.454 -7.863 -2.297 752 HA ARG 103 HA ARG 103 7.854 -9.528 -4.212 753 1HB ARG 103 1HB ARG 103 9.533 -7.593 -4.150 754 2HB ARG 103 2HB ARG 103 8.457 -6.829 -2.980 755 1HG ARG 103 1HG ARG 103 6.626 -6.853 -4.585 756 2HG ARG 103 2HG ARG 103 7.601 -7.763 -5.738 757 1HD ARG 103 1HD ARG 103 8.573 -5.111 -4.691 758 2HD ARG 103 2HD ARG 103 7.409 -5.168 -6.014 759 HE ARG 103 HE ARG 103 9.316 -6.860 -6.943 760 1HH1 ARG 103 1HH1 ARG 103 12.076 -4.508 -6.140 761 2HH1 ARG 103 2HH1 ARG 103 11.484 -5.907 -5.307 762 1HH2 ARG 103 1HH2 ARG 103 9.217 -4.131 -8.086 763 2HH2 ARG 103 2HH2 ARG 103 10.787 -3.499 -7.718 764 H ILE 104 H ILE 104 8.499 -8.579 -0.839 765 HA ILE 104 HA ILE 104 11.159 -9.594 -0.652 766 HB ILE 104 HB ILE 104 8.980 -9.350 1.448 767 1HG1 ILE 104 1HG1 ILE 104 10.082 -7.312 0.202 768 2HG1 ILE 104 2HG1 ILE 104 11.471 -7.675 1.225 769 1HG2 ILE 104 1HG2 ILE 104 10.497 -10.975 2.319 770 2HG2 ILE 104 2HG2 ILE 104 10.994 -9.444 3.036 771 3HG2 ILE 104 3HG2 ILE 104 11.899 -10.118 1.680 772 1HD1 ILE 104 1HD1 ILE 104 9.287 -6.122 1.954 773 2HD1 ILE 104 2HD1 ILE 104 10.451 -6.839 3.067 774 3HD1 ILE 104 3HD1 ILE 104 8.943 -7.679 2.708 775 H PHE 105 H PHE 105 8.009 -11.220 -0.341 776 HA PHE 105 HA PHE 105 9.163 -13.749 0.517 777 1HB PHE 105 1HB PHE 105 6.778 -14.538 -0.310 778 2HB PHE 105 2HB PHE 105 6.446 -12.807 -0.344 779 HD1 PHE 105 HD1 PHE 105 7.558 -11.565 1.868 780 HD2 PHE 105 HD2 PHE 105 6.138 -15.614 1.644 781 HE1 PHE 105 HE1 PHE 105 7.232 -11.586 4.324 782 HE2 PHE 105 HE2 PHE 105 5.813 -15.633 4.101 783 HZ PHE 105 HZ PHE 105 6.360 -13.620 5.441 784 H ASP 106 H ASP 106 8.172 -12.334 -2.602 785 HA ASP 106 HA ASP 106 8.871 -14.850 -3.997 786 1HB ASP 106 1HB ASP 106 7.872 -12.197 -5.089 787 2HB ASP 106 2HB ASP 106 6.869 -13.599 -4.728 788 H LYS 107 H LYS 107 11.149 -14.845 -3.518 789 HA LYS 107 HA LYS 107 12.878 -12.637 -4.266 790 1HB LYS 107 1HB LYS 107 14.717 -14.187 -3.848 791 2HB LYS 107 2HB LYS 107 13.602 -15.552 -3.858 792 1HG LYS 107 1HG LYS 107 12.384 -14.416 -1.934 793 2HG LYS 107 2HG LYS 107 13.743 -13.293 -1.847 794 1HD LYS 107 1HD LYS 107 15.288 -15.123 -1.427 795 2HD LYS 107 2HD LYS 107 14.009 -16.311 -1.679 796 1HE LYS 107 1HE LYS 107 12.778 -15.336 0.263 797 2HE LYS 107 2HE LYS 107 14.135 -14.244 0.538 798 1HZ LYS 107 1HZ LYS 107 15.574 -16.173 0.820 799 2HZ LYS 107 2HZ LYS 107 14.252 -17.213 0.580 800 3HZ LYS 107 3HZ LYS 107 14.301 -16.194 1.939 801 H ASN 108 H ASN 108 11.171 -14.813 -6.201 802 HA ASN 108 HA ASN 108 13.251 -15.114 -8.260 803 1HB ASN 108 1HB ASN 108 11.641 -16.433 -9.458 804 2HB ASN 108 2HB ASN 108 10.309 -15.799 -8.492 805 1HD2 ASN 108 1HD2 ASN 108 13.246 -17.856 -8.281 806 2HD2 ASN 108 2HD2 ASN 108 12.728 -18.723 -6.916 807 H ALA 109 H ALA 109 10.718 -12.867 -7.479 808 HA ALA 109 HA ALA 109 9.998 -10.919 -8.546 809 1HB ALA 109 1HB ALA 109 11.587 -9.743 -9.816 810 2HB ALA 109 2HB ALA 109 12.285 -11.219 -10.484 811 3HB ALA 109 3HB ALA 109 12.585 -10.785 -8.802 812 H ASP 110 H ASP 110 8.726 -13.258 -9.353 813 HA ASP 110 HA ASP 110 8.476 -12.980 -12.317 814 1HB ASP 110 1HB ASP 110 7.104 -15.171 -11.989 815 2HB ASP 110 2HB ASP 110 7.866 -15.227 -10.400 816 H GLY 111 H GLY 111 6.612 -12.989 -9.281 817 1HA GLY 111 1HA GLY 111 4.172 -12.187 -10.778 818 2HA GLY 111 2HA GLY 111 4.809 -11.069 -9.576 819 H PHE 112 H PHE 112 5.109 -14.512 -8.981 820 HA PHE 112 HA PHE 112 3.046 -14.243 -6.834 821 1HB PHE 112 1HB PHE 112 1.978 -16.236 -7.390 822 2HB PHE 112 2HB PHE 112 3.386 -16.873 -8.228 823 HD1 PHE 112 HD1 PHE 112 4.000 -15.974 -10.504 824 HD2 PHE 112 HD2 PHE 112 0.310 -14.985 -8.547 825 HE1 PHE 112 HE1 PHE 112 3.058 -15.214 -12.666 826 HE2 PHE 112 HE2 PHE 112 -0.632 -14.221 -10.708 827 HZ PHE 112 HZ PHE 112 0.742 -14.335 -12.769 828 H ILE 113 H ILE 113 3.448 -15.559 -4.971 829 HA ILE 113 HA ILE 113 6.299 -16.213 -4.564 830 HB ILE 113 HB ILE 113 3.868 -16.112 -2.758 831 1HG1 ILE 113 1HG1 ILE 113 6.526 -14.639 -2.862 832 2HG1 ILE 113 2HG1 ILE 113 5.386 -14.501 -1.526 833 1HG2 ILE 113 1HG2 ILE 113 5.015 -18.024 -1.923 834 2HG2 ILE 113 2HG2 ILE 113 5.560 -16.688 -0.911 835 3HG2 ILE 113 3HG2 ILE 113 6.596 -17.295 -2.203 836 1HD1 ILE 113 1HD1 ILE 113 5.089 -13.566 -4.365 837 2HD1 ILE 113 2HD1 ILE 113 4.765 -12.696 -2.867 838 3HD1 ILE 113 3HD1 ILE 113 3.654 -13.948 -3.417 839 H ASP 114 H ASP 114 7.091 -18.321 -4.486 840 HA ASP 114 HA ASP 114 5.163 -20.473 -5.194 841 1HB ASP 114 1HB ASP 114 8.178 -20.689 -5.131 842 2HB ASP 114 2HB ASP 114 7.305 -20.041 -6.509 843 H ILE 115 H ILE 115 5.748 -22.665 -4.235 844 HA ILE 115 HA ILE 115 5.525 -22.554 -1.363 845 HB ILE 115 HB ILE 115 5.809 -24.750 -3.413 846 1HG1 ILE 115 1HG1 ILE 115 3.686 -23.641 -1.609 847 2HG1 ILE 115 2HG1 ILE 115 3.588 -25.335 -2.094 848 1HG2 ILE 115 1HG2 ILE 115 5.927 -25.003 -0.408 849 2HG2 ILE 115 2HG2 ILE 115 7.051 -25.659 -1.599 850 3HG2 ILE 115 3HG2 ILE 115 5.427 -26.332 -1.454 851 1HD1 ILE 115 1HD1 ILE 115 3.467 -22.864 -3.808 852 2HD1 ILE 115 2HD1 ILE 115 2.392 -24.263 -3.802 853 3HD1 ILE 115 3HD1 ILE 115 4.004 -24.393 -4.504 854 H GLU 116 H GLU 116 8.182 -23.001 -3.630 855 HA GLU 116 HA GLU 116 10.108 -24.005 -1.727 856 1HB GLU 116 1HB GLU 116 10.397 -24.183 -4.205 857 2HB GLU 116 2HB GLU 116 11.786 -23.432 -3.418 858 1HG GLU 116 1HG GLU 116 11.102 -21.240 -4.110 859 2HG GLU 116 2HG GLU 116 9.521 -21.823 -4.623 860 H GLU 117 H GLU 117 9.122 -20.768 -2.785 861 HA GLU 117 HA GLU 117 11.167 -19.305 -1.396 862 1HB GLU 117 1HB GLU 117 9.626 -17.368 -1.662 863 2HB GLU 117 2HB GLU 117 8.357 -18.468 -2.194 864 1HG GLU 117 1HG GLU 117 9.551 -17.373 -4.102 865 2HG GLU 117 2HG GLU 117 9.686 -19.131 -4.132 866 H LEU 118 H LEU 118 7.799 -20.160 -0.494 867 HA LEU 118 HA LEU 118 7.964 -18.950 2.129 868 1HB LEU 118 1HB LEU 118 6.109 -21.214 1.379 869 2HB LEU 118 2HB LEU 118 5.836 -19.561 0.826 870 HG LEU 118 HG LEU 118 6.367 -20.032 3.741 871 1HD1 LEU 118 1HD1 LEU 118 6.129 -17.751 2.657 872 2HD1 LEU 118 2HD1 LEU 118 5.019 -18.056 3.992 873 3HD1 LEU 118 3HD1 LEU 118 4.446 -18.163 2.327 874 1HD2 LEU 118 1HD2 LEU 118 4.054 -20.551 4.187 875 2HD2 LEU 118 2HD2 LEU 118 4.621 -21.707 2.984 876 3HD2 LEU 118 3HD2 LEU 118 3.621 -20.341 2.491 877 H GLY 119 H GLY 119 8.657 -22.199 0.891 878 1HA GLY 119 1HA GLY 119 9.812 -23.976 1.896 879 2HA GLY 119 2HA GLY 119 8.783 -23.662 3.289 880 H GLU 120 H GLU 120 11.495 -21.867 1.743 881 HA GLU 120 HA GLU 120 13.296 -22.289 3.952 882 1HB GLU 120 1HB GLU 120 14.513 -20.276 2.925 883 2HB GLU 120 2HB GLU 120 13.266 -20.302 1.677 884 1HG GLU 120 1HG GLU 120 13.889 -22.878 1.573 885 2HG GLU 120 2HG GLU 120 15.407 -22.320 2.273 886 H ILE 121 H ILE 121 10.898 -19.767 3.236 887 HA ILE 121 HA ILE 121 11.733 -17.870 5.204 888 HB ILE 121 HB ILE 121 8.988 -18.495 4.071 889 1HG1 ILE 121 1HG1 ILE 121 10.944 -17.517 2.659 890 2HG1 ILE 121 2HG1 ILE 121 10.690 -16.047 3.599 891 1HG2 ILE 121 1HG2 ILE 121 8.432 -16.175 4.983 892 2HG2 ILE 121 2HG2 ILE 121 9.890 -16.310 5.965 893 3HG2 ILE 121 3HG2 ILE 121 8.567 -17.454 6.189 894 1HD1 ILE 121 1HD1 ILE 121 9.017 -15.510 2.189 895 2HD1 ILE 121 2HD1 ILE 121 8.120 -16.903 2.792 896 3HD1 ILE 121 3HD1 ILE 121 9.152 -17.065 1.372 897 H LEU 122 H LEU 122 9.601 -20.726 5.436 898 HA LEU 122 HA LEU 122 8.884 -20.274 8.202 899 1HB LEU 122 1HB LEU 122 8.542 -22.943 7.926 900 2HB LEU 122 2HB LEU 122 8.592 -22.482 6.225 901 HG LEU 122 HG LEU 122 6.918 -20.603 6.953 902 1HD1 LEU 122 1HD1 LEU 122 6.540 -22.792 5.583 903 2HD1 LEU 122 2HD1 LEU 122 5.136 -21.966 6.258 904 3HD1 LEU 122 3HD1 LEU 122 5.791 -23.394 7.061 905 1HD2 LEU 122 1HD2 LEU 122 5.565 -21.133 8.886 906 2HD2 LEU 122 2HD2 LEU 122 7.251 -21.137 9.403 907 3HD2 LEU 122 3HD2 LEU 122 6.412 -22.663 9.122 908 NH1 ARG 123 NH1 ARG 123 12.575 -29.342 5.837 909 NH2 ARG 123 NH2 ARG 123 13.885 -29.492 7.684 910 H ARG 123 H ARG 123 11.247 -22.487 6.658 911 HA ARG 123 HA ARG 123 12.340 -23.406 9.171 912 1HB ARG 123 1HB ARG 123 14.251 -24.191 7.638 913 2HB ARG 123 2HB ARG 123 13.285 -23.547 6.308 914 1HG ARG 123 1HG ARG 123 11.588 -25.117 6.609 915 2HG ARG 123 2HG ARG 123 11.980 -25.364 8.312 916 1HD ARG 123 1HD ARG 123 14.210 -26.354 7.444 917 2HD ARG 123 2HD ARG 123 13.402 -26.443 5.879 918 HE ARG 123 HE ARG 123 11.783 -27.635 7.963 919 1HH1 ARG 123 1HH1 ARG 123 12.913 -30.229 5.523 920 2HH1 ARG 123 2HH1 ARG 123 11.904 -28.840 5.290 921 1HH2 ARG 123 1HH2 ARG 123 14.214 -29.104 8.545 922 2HH2 ARG 123 2HH2 ARG 123 14.226 -30.379 7.373 923 H ALA 124 H ALA 124 12.975 -20.569 7.218 924 HA ALA 124 HA ALA 124 15.645 -19.998 8.001 925 1HB ALA 124 1HB ALA 124 13.325 -18.184 7.311 926 2HB ALA 124 2HB ALA 124 14.676 -18.657 6.280 927 3HB ALA 124 3HB ALA 124 14.946 -17.571 7.642 928 H THR 125 H THR 125 12.627 -19.652 9.806 929 HA THR 125 HA THR 125 13.945 -18.061 11.904 930 HB THR 125 HB THR 125 11.547 -17.686 11.218 931 HG1 THR 125 HG1 THR 125 11.178 -17.018 13.183 932 1HG2 THR 125 1HG2 THR 125 11.375 -20.462 11.573 933 2HG2 THR 125 2HG2 THR 125 10.039 -19.354 11.266 934 3HG2 THR 125 3HG2 THR 125 10.474 -19.774 12.922 935 H GLY 126 H GLY 126 14.485 -21.112 11.213 936 1HA GLY 126 1HA GLY 126 15.099 -21.858 13.943 937 2HA GLY 126 2HA GLY 126 15.324 -22.873 12.518 938 H GLU 127 H GLU 127 12.336 -22.298 11.891 939 HA GLU 127 HA GLU 127 10.854 -23.576 14.042 940 1HB GLU 127 1HB GLU 127 9.400 -23.844 11.638 941 2HB GLU 127 2HB GLU 127 10.268 -22.315 11.507 942 1HG GLU 127 1HG GLU 127 9.385 -21.623 13.703 943 2HG GLU 127 2HG GLU 127 8.532 -23.161 13.848 944 H HIS 128 H HIS 128 10.113 -25.719 14.144 945 HA HIS 128 HA HIS 128 11.585 -27.645 12.413 946 1HB HIS 128 1HB HIS 128 11.887 -28.059 14.785 947 2HB HIS 128 2HB HIS 128 10.878 -29.344 14.130 948 HD1 HIS 128 HD1 HIS 128 8.356 -29.361 14.807 949 HD2 HIS 128 HD2 HIS 128 10.566 -26.322 16.616 950 HE1 HIS 128 HE1 HIS 128 6.908 -28.429 16.663 951 H VAL 129 H VAL 129 9.503 -26.346 11.129 952 HA VAL 129 HA VAL 129 7.069 -27.974 11.287 953 HB VAL 129 HB VAL 129 6.939 -25.568 10.765 954 1HG1 VAL 129 1HG1 VAL 129 7.656 -24.814 8.476 955 2HG1 VAL 129 2HG1 VAL 129 8.465 -26.368 8.271 956 3HG1 VAL 129 3HG1 VAL 129 9.002 -25.254 9.527 957 1HG2 VAL 129 1HG2 VAL 129 5.357 -25.729 8.948 958 2HG2 VAL 129 2HG2 VAL 129 5.228 -27.203 9.906 959 3HG2 VAL 129 3HG2 VAL 129 6.098 -27.221 8.373 960 H ILE 130 H ILE 130 6.238 -29.138 9.422 961 HA ILE 130 HA ILE 130 8.432 -30.474 7.895 962 HB ILE 130 HB ILE 130 6.279 -32.066 7.437 963 1HG1 ILE 130 1HG1 ILE 130 4.936 -30.536 9.009 964 2HG1 ILE 130 2HG1 ILE 130 5.912 -31.205 10.316 965 1HG2 ILE 130 1HG2 ILE 130 7.164 -33.415 9.424 966 2HG2 ILE 130 2HG2 ILE 130 8.245 -32.057 9.740 967 3HG2 ILE 130 3HG2 ILE 130 8.362 -32.942 8.218 968 1HD1 ILE 130 1HD1 ILE 130 4.501 -33.023 8.371 969 2HD1 ILE 130 2HD1 ILE 130 3.637 -32.347 9.750 970 3HD1 ILE 130 3HD1 ILE 130 5.047 -33.373 10.011 971 H GLU 131 H GLU 131 8.281 -30.686 5.637 972 HA GLU 131 HA GLU 131 6.852 -28.618 4.241 973 1HB GLU 131 1HB GLU 131 8.930 -29.470 3.320 974 2HB GLU 131 2HB GLU 131 7.633 -29.826 2.188 975 1HG GLU 131 1HG GLU 131 7.515 -32.097 3.565 976 2HG GLU 131 2HG GLU 131 9.189 -31.691 3.936 977 H GLU 132 H GLU 132 6.043 -31.914 5.112 978 HA GLU 132 HA GLU 132 3.913 -32.307 3.206 979 1HB GLU 132 1HB GLU 132 3.072 -33.842 5.210 980 2HB GLU 132 2HB GLU 132 4.690 -33.534 5.836 981 1HG GLU 132 1HG GLU 132 4.251 -34.462 2.995 982 2HG GLU 132 2HG GLU 132 4.367 -35.611 4.327 983 H ASP 133 H ASP 133 4.158 -30.739 6.375 984 HA ASP 133 HA ASP 133 1.262 -30.269 6.554 985 1HB ASP 133 1HB ASP 133 3.402 -28.903 8.199 986 2HB ASP 133 2HB ASP 133 2.881 -30.554 8.534 987 H ILE 134 H ILE 134 4.169 -28.376 5.715 988 HA ILE 134 HA ILE 134 2.830 -25.842 5.452 989 HB ILE 134 HB ILE 134 5.331 -26.834 4.037 990 1HG1 ILE 134 1HG1 ILE 134 5.155 -26.770 6.667 991 2HG1 ILE 134 2HG1 ILE 134 5.283 -25.028 6.443 992 1HG2 ILE 134 1HG2 ILE 134 5.831 -24.354 3.954 993 2HG2 ILE 134 2HG2 ILE 134 4.171 -24.068 4.476 994 3HG2 ILE 134 3HG2 ILE 134 4.486 -24.860 2.932 995 1HD1 ILE 134 1HD1 ILE 134 7.243 -26.358 4.795 996 2HD1 ILE 134 2HD1 ILE 134 7.389 -26.922 6.459 997 3HD1 ILE 134 3HD1 ILE 134 7.503 -25.200 6.100 998 H GLU 135 H GLU 135 3.596 -28.411 3.089 999 HA GLU 135 HA GLU 135 2.576 -27.094 0.776 1000 1HB GLU 135 1HB GLU 135 2.300 -30.067 1.124 1001 2HB GLU 135 2HB GLU 135 3.907 -29.345 1.033 1002 1HG GLU 135 1HG GLU 135 3.718 -28.992 -1.193 1003 2HG GLU 135 2HG GLU 135 2.109 -28.291 -1.017 1004 H ASP 136 H ASP 136 0.937 -29.300 3.078 1005 HA ASP 136 HA ASP 136 -1.605 -29.262 1.758 1006 1HB ASP 136 1HB ASP 136 -1.177 -29.587 4.737 1007 2HB ASP 136 2HB ASP 136 -0.863 -30.877 3.576 1008 H LEU 137 H LEU 137 -0.118 -27.059 4.100 1009 HA LEU 137 HA LEU 137 -2.532 -25.593 4.709 1010 1HB LEU 137 1HB LEU 137 0.311 -24.550 4.811 1011 2HB LEU 137 2HB LEU 137 -0.386 -25.575 6.063 1012 HG LEU 137 HG LEU 137 -1.855 -23.101 5.198 1013 1HD1 LEU 137 1HD1 LEU 137 -1.558 -24.547 7.850 1014 2HD1 LEU 137 2HD1 LEU 137 -2.913 -24.729 6.736 1015 3HD1 LEU 137 3HD1 LEU 137 -2.629 -23.182 7.533 1016 1HD2 LEU 137 1HD2 LEU 137 -0.620 -21.884 7.035 1017 2HD2 LEU 137 2HD2 LEU 137 0.370 -22.253 5.623 1018 3HD2 LEU 137 3HD2 LEU 137 0.517 -23.231 7.083 1019 H MET 138 H MET 138 0.060 -25.171 2.296 1020 HA MET 138 HA MET 138 -0.949 -22.667 1.269 1021 1HB MET 138 1HB MET 138 0.548 -24.333 -0.638 1022 2HB MET 138 2HB MET 138 1.364 -24.128 0.912 1023 1HG MET 138 1HG MET 138 2.014 -22.317 -0.597 1024 2HG MET 138 2HG MET 138 1.036 -21.664 0.716 1025 1HE MET 138 1HE MET 138 1.876 -21.660 -2.633 1026 2HE MET 138 2HE MET 138 0.484 -21.283 -3.645 1027 3HE MET 138 3HE MET 138 0.774 -22.947 -3.143 1028 H LYS 139 H LYS 139 -1.269 -26.053 0.117 1029 HA LYS 139 HA LYS 139 -2.819 -25.452 -2.192 1030 1HB LYS 139 1HB LYS 139 -1.807 -27.669 -1.814 1031 2HB LYS 139 2HB LYS 139 -3.536 -27.809 -2.126 1032 1HG LYS 139 1HG LYS 139 -3.761 -27.713 0.479 1033 2HG LYS 139 2HG LYS 139 -2.051 -28.137 0.475 1034 1HD LYS 139 1HD LYS 139 -3.960 -29.719 -1.221 1035 2HD LYS 139 2HD LYS 139 -3.884 -30.036 0.513 1036 1HE LYS 139 1HE LYS 139 -1.656 -30.748 0.413 1037 2HE LYS 139 2HE LYS 139 -1.345 -29.880 -1.089 1038 1HZ LYS 139 1HZ LYS 139 -2.803 -31.439 -2.239 1039 2HZ LYS 139 2HZ LYS 139 -3.055 -32.290 -0.789 1040 3HZ LYS 139 3HZ LYS 139 -1.510 -32.242 -1.492 1041 H ASP 140 H ASP 140 -3.779 -25.756 1.195 1042 HA ASP 140 HA ASP 140 -6.642 -25.765 0.576 1043 1HB ASP 140 1HB ASP 140 -6.678 -25.198 3.162 1044 2HB ASP 140 2HB ASP 140 -4.984 -25.680 3.078 1045 H SER 141 H SER 141 -4.185 -23.361 1.428 1046 HA SER 141 HA SER 141 -6.142 -21.217 1.800 1047 1HB SER 141 1HB SER 141 -3.259 -20.634 1.276 1048 2HB SER 141 2HB SER 141 -3.668 -21.501 2.752 1049 HG SER 141 HG SER 141 -3.688 -19.163 2.925 1050 H ASP 142 H ASP 142 -4.671 -22.678 -0.958 1051 HA ASP 142 HA ASP 142 -4.571 -20.303 -2.619 1052 1HB ASP 142 1HB ASP 142 -4.960 -22.795 -4.092 1053 2HB ASP 142 2HB ASP 142 -3.681 -22.932 -2.885 1054 H LYS 143 H LYS 143 -6.477 -19.206 -2.796 1055 HA LYS 143 HA LYS 143 -9.061 -20.519 -2.958 1056 1HB LYS 143 1HB LYS 143 -9.825 -18.159 -3.586 1057 2HB LYS 143 2HB LYS 143 -8.143 -17.670 -3.387 1058 1HG LYS 143 1HG LYS 143 -8.841 -19.244 -1.116 1059 2HG LYS 143 2HG LYS 143 -10.139 -18.076 -1.360 1060 1HD LYS 143 1HD LYS 143 -7.249 -17.217 -1.466 1061 2HD LYS 143 2HD LYS 143 -8.094 -17.355 0.076 1062 1HE LYS 143 1HE LYS 143 -9.856 -15.822 -0.786 1063 2HE LYS 143 2HE LYS 143 -8.945 -15.647 -2.285 1064 1HZ LYS 143 1HZ LYS 143 -8.457 -13.832 -0.801 1065 2HZ LYS 143 2HZ LYS 143 -7.074 -14.802 -0.980 1066 3HZ LYS 143 3HZ LYS 143 -8.011 -14.904 0.433 1067 H ASN 144 H ASN 144 -6.715 -19.361 -5.323 1068 HA ASN 144 HA ASN 144 -8.638 -19.766 -7.540 1069 1HB ASN 144 1HB ASN 144 -5.753 -19.135 -8.019 1070 2HB ASN 144 2HB ASN 144 -6.754 -17.889 -7.277 1071 1HD2 ASN 144 1HD2 ASN 144 -5.677 -17.593 -9.936 1072 2HD2 ASN 144 2HD2 ASN 144 -6.971 -17.600 -11.034 1073 H ASN 145 H ASN 145 -6.046 -21.422 -5.914 1074 HA ASN 145 HA ASN 145 -5.131 -23.535 -6.207 1075 1HB ASN 145 1HB ASN 145 -6.450 -25.199 -7.469 1076 2HB ASN 145 2HB ASN 145 -7.462 -23.910 -8.118 1077 1HD2 ASN 145 1HD2 ASN 145 -6.636 -25.676 -5.133 1078 2HD2 ASN 145 2HD2 ASN 145 -7.988 -25.152 -4.250 1079 H ASP 146 H ASP 146 -3.571 -21.904 -7.394 1080 HA ASP 146 HA ASP 146 -3.255 -22.785 -10.237 1081 1HB ASP 146 1HB ASP 146 -1.708 -20.668 -10.259 1082 2HB ASP 146 2HB ASP 146 -2.597 -20.220 -8.802 1083 H GLY 147 H GLY 147 -1.569 -22.240 -7.157 1084 1HA GLY 147 1HA GLY 147 0.831 -23.632 -8.256 1085 2HA GLY 147 2HA GLY 147 0.088 -24.204 -6.761 1086 NH1 ARG 148 NH1 ARG 148 1.324 -21.048 -11.202 1087 NH2 ARG 148 NH2 ARG 148 3.380 -21.169 -12.155 1088 H ARG 148 H ARG 148 0.502 -20.830 -7.823 1089 HA ARG 148 HA ARG 148 2.433 -20.419 -5.584 1090 1HB ARG 148 1HB ARG 148 2.911 -18.264 -6.903 1091 2HB ARG 148 2HB ARG 148 1.978 -18.992 -8.208 1092 1HG ARG 148 1HG ARG 148 4.174 -20.574 -6.909 1093 2HG ARG 148 2HG ARG 148 4.584 -19.340 -8.095 1094 1HD ARG 148 1HD ARG 148 2.589 -21.560 -8.602 1095 2HD ARG 148 2HD ARG 148 4.281 -21.630 -9.087 1096 HE ARG 148 HE ARG 148 3.302 -19.234 -10.161 1097 1HH1 ARG 148 1HH1 ARG 148 2.987 -21.634 -12.948 1098 2HH1 ARG 148 2HH1 ARG 148 4.362 -20.982 -12.121 1099 1HH2 ARG 148 1HH2 ARG 148 0.737 -20.769 -10.441 1100 2HH2 ARG 148 2HH2 ARG 148 0.927 -21.513 -11.993 1101 H ILE 149 H ILE 149 2.281 -18.074 -4.715 1102 HA ILE 149 HA ILE 149 -0.599 -17.466 -4.177 1103 HB ILE 149 HB ILE 149 1.878 -16.654 -2.610 1104 1HG1 ILE 149 1HG1 ILE 149 0.248 -19.084 -2.621 1105 2HG1 ILE 149 2HG1 ILE 149 0.267 -18.308 -1.037 1106 1HG2 ILE 149 1HG2 ILE 149 -1.085 -16.386 -2.007 1107 2HG2 ILE 149 2HG2 ILE 149 0.027 -15.064 -2.362 1108 3HG2 ILE 149 3HG2 ILE 149 0.214 -16.001 -0.879 1109 1HD1 ILE 149 1HD1 ILE 149 2.611 -19.293 -2.669 1110 2HD1 ILE 149 2HD1 ILE 149 2.158 -19.744 -1.026 1111 3HD1 ILE 149 3HD1 ILE 149 2.821 -18.143 -1.349 1112 H ASP 150 H ASP 150 -1.399 -15.595 -5.067 1113 HA ASP 150 HA ASP 150 0.552 -13.712 -6.291 1114 1HB ASP 150 1HB ASP 150 -2.387 -13.381 -6.634 1115 2HB ASP 150 2HB ASP 150 -1.630 -14.755 -7.416 1116 H PHE 151 H PHE 151 -0.585 -11.338 -6.286 1117 HA PHE 151 HA PHE 151 -0.344 -10.345 -3.609 1118 1HB PHE 151 1HB PHE 151 -1.614 -9.030 -6.036 1119 2HB PHE 151 2HB PHE 151 0.096 -8.966 -5.622 1120 HD1 PHE 151 HD1 PHE 151 -3.240 -7.691 -4.877 1121 HD2 PHE 151 HD2 PHE 151 0.854 -7.753 -3.573 1122 HE1 PHE 151 HE1 PHE 151 -3.677 -5.741 -3.414 1123 HE2 PHE 151 HE2 PHE 151 0.412 -5.799 -2.108 1124 HZ PHE 151 HZ PHE 151 -1.854 -4.795 -2.031 1125 H ASP 152 H ASP 152 -3.138 -11.257 -5.586 1126 HA ASP 152 HA ASP 152 -5.215 -10.200 -3.938 1127 1HB ASP 152 1HB ASP 152 -6.617 -12.002 -4.987 1128 2HB ASP 152 2HB ASP 152 -5.146 -12.679 -5.686 1129 H GLU 153 H GLU 153 -3.844 -13.514 -4.011 1130 HA GLU 153 HA GLU 153 -5.213 -14.381 -1.623 1131 1HB GLU 153 1HB GLU 153 -3.338 -16.188 -1.693 1132 2HB GLU 153 2HB GLU 153 -2.885 -15.438 -3.223 1133 1HG GLU 153 1HG GLU 153 -5.381 -15.680 -3.856 1134 2HG GLU 153 2HG GLU 153 -5.486 -16.789 -2.489 1135 H PHE 154 H PHE 154 -2.229 -12.642 -2.196 1136 HA PHE 154 HA PHE 154 -0.811 -13.153 0.203 1137 1HB PHE 154 1HB PHE 154 -0.964 -10.500 -1.259 1138 2HB PHE 154 2HB PHE 154 0.039 -11.853 -1.776 1139 HD1 PHE 154 HD1 PHE 154 1.618 -12.866 0.098 1140 HD2 PHE 154 HD2 PHE 154 -0.057 -8.911 0.193 1141 HE1 PHE 154 HE1 PHE 154 3.391 -12.153 1.678 1142 HE2 PHE 154 HE2 PHE 154 1.716 -8.200 1.772 1143 HZ PHE 154 HZ PHE 154 3.438 -9.821 2.514 1144 H LEU 155 H LEU 155 -3.568 -11.004 -0.389 1145 HA LEU 155 HA LEU 155 -3.460 -9.461 1.999 1146 1HB LEU 155 1HB LEU 155 -5.892 -9.137 1.672 1147 2HB LEU 155 2HB LEU 155 -5.905 -10.444 0.490 1148 HG LEU 155 HG LEU 155 -4.030 -9.037 -0.687 1149 1HD1 LEU 155 1HD1 LEU 155 -6.244 -9.461 -1.651 1150 2HD1 LEU 155 2HD1 LEU 155 -5.780 -7.782 -1.926 1151 3HD1 LEU 155 3HD1 LEU 155 -6.940 -8.181 -0.659 1152 1HD2 LEU 155 1HD2 LEU 155 -3.957 -7.440 1.315 1153 2HD2 LEU 155 2HD2 LEU 155 -5.509 -6.822 0.753 1154 3HD2 LEU 155 3HD2 LEU 155 -4.081 -6.681 -0.272 1155 H LYS 156 H LYS 156 -5.433 -12.392 1.378 1156 HA LYS 156 HA LYS 156 -6.080 -12.773 4.177 1157 1HB LYS 156 1HB LYS 156 -6.142 -15.089 2.298 1158 2HB LYS 156 2HB LYS 156 -7.171 -13.712 1.906 1159 1HG LYS 156 1HG LYS 156 -7.365 -14.306 4.726 1160 2HG LYS 156 2HG LYS 156 -7.688 -15.763 3.787 1161 1HD LYS 156 1HD LYS 156 -8.957 -13.294 2.752 1162 2HD LYS 156 2HD LYS 156 -9.558 -13.845 4.316 1163 1HE LYS 156 1HE LYS 156 -9.200 -15.870 2.138 1164 2HE LYS 156 2HE LYS 156 -10.585 -14.782 2.046 1165 1HZ LYS 156 1HZ LYS 156 -11.246 -15.462 4.253 1166 2HZ LYS 156 2HZ LYS 156 -9.889 -16.475 4.387 1167 3HZ LYS 156 3HZ LYS 156 -11.103 -16.823 3.252 1168 H MET 157 H MET 157 -3.392 -13.715 2.151 1169 HA MET 157 HA MET 157 -2.433 -15.968 3.612 1170 1HB MET 157 1HB MET 157 -0.284 -14.314 2.551 1171 2HB MET 157 2HB MET 157 -1.595 -14.491 1.387 1172 1HG MET 157 1HG MET 157 -0.612 -16.473 0.886 1173 2HG MET 157 2HG MET 157 -1.366 -17.048 2.373 1174 1HE MET 157 1HE MET 157 1.835 -15.352 0.834 1175 2HE MET 157 2HE MET 157 1.569 -17.040 0.404 1176 3HE MET 157 3HE MET 157 2.974 -16.596 1.370 1177 H MET 158 H MET 158 -2.082 -12.492 4.222 1178 HA MET 158 HA MET 158 -0.026 -12.840 6.248 1179 1HB MET 158 1HB MET 158 -1.512 -10.383 6.564 1180 2HB MET 158 2HB MET 158 -1.194 -10.656 4.852 1181 1HG MET 158 1HG MET 158 0.731 -9.512 5.589 1182 2HG MET 158 2HG MET 158 1.231 -11.203 5.618 1183 1HE MET 158 1HE MET 158 3.284 -10.498 7.480 1184 2HE MET 158 2HE MET 158 2.476 -12.029 7.156 1185 3HE MET 158 3HE MET 158 2.752 -11.522 8.820 1186 H GLU 159 H GLU 159 -1.043 -14.481 7.564 1187 HA GLU 159 HA GLU 159 -3.591 -14.037 8.863 1188 1HB GLU 159 1HB GLU 159 -1.610 -15.865 10.118 1189 2HB GLU 159 2HB GLU 159 -2.093 -16.241 8.465 1190 1HG GLU 159 1HG GLU 159 -4.135 -15.632 10.610 1191 2HG GLU 159 2HG GLU 159 -3.508 -17.263 10.369 1192 H GLY 160 H GLY 160 -1.040 -12.113 9.279 1193 1HA GLY 160 1HA GLY 160 -0.054 -11.011 11.117 1194 2HA GLY 160 2HA GLY 160 -0.767 -12.214 12.193 1195 H VAL 161 H VAL 161 -0.853 -9.021 11.917 1196 HA VAL 161 HA VAL 161 -3.815 -8.851 12.290 1197 HB VAL 161 HB VAL 161 -2.420 -8.598 14.384 1198 1HG1 VAL 161 1HG1 VAL 161 -1.646 -5.901 13.270 1199 2HG1 VAL 161 2HG1 VAL 161 -0.595 -7.305 13.094 1200 3HG1 VAL 161 3HG1 VAL 161 -1.018 -6.718 14.701 1201 1HG2 VAL 161 1HG2 VAL 161 -3.839 -6.956 15.260 1202 2HG2 VAL 161 2HG2 VAL 161 -4.728 -7.475 13.828 1203 3HG2 VAL 161 3HG2 VAL 161 -3.787 -5.983 13.790 1204 H GLN 162 H GLN 162 -1.922 -8.290 9.887 1205 HA GLN 162 HA GLN 162 -3.127 -5.644 9.255 1206 1HB GLN 162 1HB GLN 162 -0.814 -5.262 8.005 1207 2HB GLN 162 2HB GLN 162 -0.216 -6.361 9.248 1208 1HG GLN 162 1HG GLN 162 -0.944 -4.909 11.008 1209 2HG GLN 162 2HG GLN 162 -1.899 -3.929 9.896 1210 1HE2 GLN 162 1HE2 GLN 162 0.983 -3.891 11.577 1211 2HE2 GLN 162 2HE2 GLN 162 1.880 -2.864 10.566 Start of MODEL 19 Raw file had 1211 H/Q atoms Start of MODEL 19 1 1H ALA 1 1H ALA 1 -24.556 -13.729 -24.774 2 2H ALA 1 2H ALA 1 -24.450 -13.317 -26.418 3 3H ALA 1 3H ALA 1 -25.822 -12.880 -25.518 4 HA ALA 1 HA ALA 1 -23.078 -11.776 -25.338 5 1HB ALA 1 1HB ALA 1 -24.146 -9.685 -25.833 6 2HB ALA 1 2HB ALA 1 -25.751 -10.372 -25.579 7 3HB ALA 1 3HB ALA 1 -24.794 -10.859 -26.978 8 H SER 2 H SER 2 -26.298 -11.710 -23.746 9 HA SER 2 HA SER 2 -26.874 -11.495 -21.493 10 1HB SER 2 1HB SER 2 -23.936 -11.680 -20.804 11 2HB SER 2 2HB SER 2 -24.893 -13.104 -21.201 12 HG SER 2 HG SER 2 -26.015 -12.910 -19.408 13 H MET 3 H MET 3 -27.590 -9.426 -21.252 14 HA MET 3 HA MET 3 -25.868 -7.109 -21.531 15 1HB MET 3 1HB MET 3 -28.269 -6.952 -22.015 16 2HB MET 3 2HB MET 3 -27.830 -5.825 -20.735 17 1HG MET 3 1HG MET 3 -28.477 -7.891 -19.180 18 2HG MET 3 2HG MET 3 -29.446 -8.341 -20.582 19 1HE MET 3 1HE MET 3 -28.302 -5.974 -18.187 20 2HE MET 3 2HE MET 3 -29.789 -5.473 -17.386 21 3HE MET 3 3HE MET 3 -29.065 -4.436 -18.612 22 H THR 4 H THR 4 -26.758 -9.173 -18.843 23 HA THR 4 HA THR 4 -25.632 -7.234 -16.894 24 HB THR 4 HB THR 4 -26.387 -8.948 -15.200 25 HG1 THR 4 HG1 THR 4 -27.869 -10.096 -17.298 26 1HG2 THR 4 1HG2 THR 4 -27.801 -7.048 -15.644 27 2HG2 THR 4 2HG2 THR 4 -28.837 -8.474 -15.578 28 3HG2 THR 4 3HG2 THR 4 -28.398 -7.776 -17.136 29 H ASP 5 H ASP 5 -23.961 -8.726 -18.916 30 HA ASP 5 HA ASP 5 -22.477 -10.754 -17.463 31 1HB ASP 5 1HB ASP 5 -21.375 -9.144 -19.770 32 2HB ASP 5 2HB ASP 5 -22.604 -10.382 -20.034 33 H GLN 6 H GLN 6 -21.935 -7.311 -18.226 34 HA GLN 6 HA GLN 6 -19.451 -7.114 -16.752 35 1HB GLN 6 1HB GLN 6 -19.696 -4.703 -17.044 36 2HB GLN 6 2HB GLN 6 -21.395 -4.894 -17.473 37 1HG GLN 6 1HG GLN 6 -19.594 -6.539 -19.115 38 2HG GLN 6 2HG GLN 6 -19.292 -4.809 -19.271 39 1HE2 GLN 6 1HE2 GLN 6 -21.514 -3.485 -19.497 40 2HE2 GLN 6 2HE2 GLN 6 -22.653 -4.171 -20.554 41 H GLN 7 H GLN 7 -22.870 -6.527 -15.970 42 HA GLN 7 HA GLN 7 -22.374 -5.397 -13.358 43 1HB GLN 7 1HB GLN 7 -24.835 -6.066 -13.001 44 2HB GLN 7 2HB GLN 7 -24.800 -6.622 -14.675 45 1HG GLN 7 1HG GLN 7 -23.871 -4.283 -15.242 46 2HG GLN 7 2HG GLN 7 -24.390 -3.818 -13.622 47 1HE2 GLN 7 1HE2 GLN 7 -25.646 -5.254 -16.678 48 2HE2 GLN 7 2HE2 GLN 7 -27.234 -4.693 -16.464 49 H ALA 8 H ALA 8 -23.089 -8.706 -14.497 50 HA ALA 8 HA ALA 8 -23.251 -9.875 -11.868 51 1HB ALA 8 1HB ALA 8 -24.160 -11.036 -13.814 52 2HB ALA 8 2HB ALA 8 -22.914 -12.035 -13.065 53 3HB ALA 8 3HB ALA 8 -22.552 -11.135 -14.537 54 H GLU 9 H GLU 9 -20.548 -8.655 -13.581 55 HA GLU 9 HA GLU 9 -18.669 -10.411 -12.076 56 1HB GLU 9 1HB GLU 9 -16.937 -9.317 -13.590 57 2HB GLU 9 2HB GLU 9 -18.284 -8.582 -14.460 58 1HG GLU 9 1HG GLU 9 -19.009 -10.610 -15.319 59 2HG GLU 9 2HG GLU 9 -18.370 -11.534 -13.960 60 H ALA 10 H ALA 10 -19.326 -6.975 -12.811 61 HA ALA 10 HA ALA 10 -17.439 -5.904 -10.925 62 1HB ALA 10 1HB ALA 10 -18.720 -3.810 -11.156 63 2HB ALA 10 2HB ALA 10 -20.036 -4.690 -11.932 64 3HB ALA 10 3HB ALA 10 -18.473 -4.552 -12.737 65 NH1 ARG 11 NH1 ARG 11 -26.344 -7.951 -10.167 66 NH2 ARG 11 NH2 ARG 11 -25.326 -6.127 -9.288 67 H ARG 11 H ARG 11 -20.673 -7.223 -10.625 68 HA ARG 11 HA ARG 11 -21.291 -6.133 -8.021 69 1HB ARG 11 1HB ARG 11 -22.338 -8.370 -9.736 70 2HB ARG 11 2HB ARG 11 -23.170 -6.929 -9.163 71 1HG ARG 11 1HG ARG 11 -23.167 -7.849 -6.863 72 2HG ARG 11 2HG ARG 11 -22.347 -9.293 -7.459 73 1HD ARG 11 1HD ARG 11 -24.652 -9.881 -7.392 74 2HD ARG 11 2HD ARG 11 -24.320 -9.539 -9.089 75 HE ARG 11 HE ARG 11 -25.928 -7.853 -7.266 76 1HH1 ARG 11 1HH1 ARG 11 -25.526 -5.611 -10.122 77 2HH1 ARG 11 2HH1 ARG 11 -24.835 -5.687 -8.535 78 1HH2 ARG 11 1HH2 ARG 11 -26.632 -8.907 -10.086 79 2HH2 ARG 11 2HH2 ARG 11 -26.546 -7.439 -11.002 80 H ALA 12 H ALA 12 -19.981 -9.274 -9.123 81 HA ALA 12 HA ALA 12 -19.564 -10.321 -6.467 82 1HB ALA 12 1HB ALA 12 -18.208 -12.037 -7.597 83 2HB ALA 12 2HB ALA 12 -18.199 -11.071 -9.073 84 3HB ALA 12 3HB ALA 12 -19.710 -11.760 -8.479 85 H PHE 13 H PHE 13 -17.779 -8.058 -8.421 86 HA PHE 13 HA PHE 13 -15.189 -8.513 -7.190 87 1HB PHE 13 1HB PHE 13 -16.106 -5.941 -8.496 88 2HB PHE 13 2HB PHE 13 -15.639 -7.360 -9.434 89 HD1 PHE 13 HD1 PHE 13 -13.321 -8.207 -9.375 90 HD2 PHE 13 HD2 PHE 13 -14.467 -4.654 -7.246 91 HE1 PHE 13 HE1 PHE 13 -10.932 -7.606 -9.088 92 HE2 PHE 13 HE2 PHE 13 -12.077 -4.056 -6.961 93 HZ PHE 13 HZ PHE 13 -10.311 -5.532 -7.881 94 H LEU 14 H LEU 14 -17.705 -5.990 -6.726 95 HA LEU 14 HA LEU 14 -16.440 -5.414 -4.073 96 1HB LEU 14 1HB LEU 14 -16.247 -3.387 -5.234 97 2HB LEU 14 2HB LEU 14 -17.744 -3.172 -4.327 98 HG LEU 14 HG LEU 14 -18.656 -4.349 -6.645 99 1HD1 LEU 14 1HD1 LEU 14 -18.942 -1.941 -5.275 100 2HD1 LEU 14 2HD1 LEU 14 -19.895 -2.466 -6.663 101 3HD1 LEU 14 3HD1 LEU 14 -18.474 -1.451 -6.902 102 1HD2 LEU 14 1HD2 LEU 14 -16.446 -2.409 -7.402 103 2HD2 LEU 14 2HD2 LEU 14 -17.565 -3.200 -8.513 104 3HD2 LEU 14 3HD2 LEU 14 -16.371 -4.155 -7.636 105 H SER 15 H SER 15 -17.649 -5.878 -2.325 106 HA SER 15 HA SER 15 -20.420 -6.802 -2.677 107 1HB SER 15 1HB SER 15 -20.263 -7.337 -0.246 108 2HB SER 15 2HB SER 15 -18.663 -6.600 -0.210 109 HG SER 15 HG SER 15 -19.499 -8.961 -1.462 110 H GLU 16 H GLU 16 -21.865 -6.007 -0.600 111 HA GLU 16 HA GLU 16 -22.615 -3.326 -1.151 112 1HB GLU 16 1HB GLU 16 -24.195 -4.849 -0.117 113 2HB GLU 16 2HB GLU 16 -23.956 -3.477 0.961 114 1HG GLU 16 1HG GLU 16 -22.117 -4.961 2.066 115 2HG GLU 16 2HG GLU 16 -22.916 -6.295 1.234 116 H GLU 17 H GLU 17 -20.226 -4.568 1.130 117 HA GLU 17 HA GLU 17 -19.988 -2.210 2.757 118 1HB GLU 17 1HB GLU 17 -17.706 -4.076 2.058 119 2HB GLU 17 2HB GLU 17 -18.972 -4.534 3.194 120 1HG GLU 17 1HG GLU 17 -17.470 -3.600 4.680 121 2HG GLU 17 2HG GLU 17 -18.367 -2.145 4.243 122 H MET 18 H MET 18 -18.117 -3.327 -0.082 123 HA MET 18 HA MET 18 -16.593 -0.901 -0.356 124 1HB MET 18 1HB MET 18 -16.969 -2.187 -2.893 125 2HB MET 18 2HB MET 18 -16.756 -3.429 -1.661 126 1HG MET 18 1HG MET 18 -14.922 -1.032 -1.816 127 2HG MET 18 2HG MET 18 -14.621 -2.487 -2.767 128 1HE MET 18 1HE MET 18 -13.493 -1.630 1.426 129 2HE MET 18 2HE MET 18 -15.074 -1.044 0.914 130 3HE MET 18 3HE MET 18 -13.644 -0.639 -0.032 131 H ILE 19 H ILE 19 -19.497 -2.133 -1.997 132 HA ILE 19 HA ILE 19 -20.007 -0.013 -3.776 133 HB ILE 19 HB ILE 19 -21.934 -1.764 -2.222 134 1HG1 ILE 19 1HG1 ILE 19 -20.251 -2.693 -3.974 135 2HG1 ILE 19 2HG1 ILE 19 -21.267 -1.880 -5.163 136 1HG2 ILE 19 1HG2 ILE 19 -22.442 0.187 -4.485 137 2HG2 ILE 19 2HG2 ILE 19 -23.177 0.197 -2.881 138 3HG2 ILE 19 3HG2 ILE 19 -23.574 -1.084 -4.025 139 1HD1 ILE 19 1HD1 ILE 19 -22.833 -3.417 -3.229 140 2HD1 ILE 19 2HD1 ILE 19 -21.692 -4.426 -4.118 141 3HD1 ILE 19 3HD1 ILE 19 -22.880 -3.457 -4.992 142 H ALA 20 H ALA 20 -20.783 -0.224 -0.298 143 HA ALA 20 HA ALA 20 -22.387 2.120 -0.098 144 1HB ALA 20 1HB ALA 20 -21.568 2.154 2.307 145 2HB ALA 20 2HB ALA 20 -20.536 0.786 1.890 146 3HB ALA 20 3HB ALA 20 -22.289 0.633 1.781 147 H GLU 21 H GLU 21 -18.842 1.733 0.275 148 HA GLU 21 HA GLU 21 -18.304 4.516 0.755 149 1HB GLU 21 1HB GLU 21 -15.978 3.764 -0.277 150 2HB GLU 21 2HB GLU 21 -16.673 2.151 -0.119 151 1HG GLU 21 1HG GLU 21 -17.137 2.622 2.285 152 2HG GLU 21 2HG GLU 21 -16.356 4.193 2.105 153 H PHE 22 H PHE 22 -18.613 2.587 -2.200 154 HA PHE 22 HA PHE 22 -17.703 4.651 -4.008 155 1HB PHE 22 1HB PHE 22 -18.688 3.275 -5.769 156 2HB PHE 22 2HB PHE 22 -19.610 2.360 -4.582 157 HD1 PHE 22 HD1 PHE 22 -16.173 3.421 -3.790 158 HD2 PHE 22 HD2 PHE 22 -18.605 0.242 -5.356 159 HE1 PHE 22 HE1 PHE 22 -14.280 1.842 -3.532 160 HE2 PHE 22 HE2 PHE 22 -16.710 -1.331 -5.098 161 HZ PHE 22 HZ PHE 22 -14.549 -0.533 -4.187 162 H LYS 23 H LYS 23 -20.775 3.933 -2.444 163 HA LYS 23 HA LYS 23 -22.496 5.483 -4.124 164 1HB LYS 23 1HB LYS 23 -22.928 5.300 -1.154 165 2HB LYS 23 2HB LYS 23 -23.032 3.840 -2.138 166 1HG LYS 23 1HG LYS 23 -24.794 4.770 -3.479 167 2HG LYS 23 2HG LYS 23 -24.557 6.376 -2.787 168 1HD LYS 23 1HD LYS 23 -25.495 5.752 -0.718 169 2HD LYS 23 2HD LYS 23 -25.256 4.031 -1.025 170 1HE LYS 23 1HE LYS 23 -27.017 5.542 -2.909 171 2HE LYS 23 2HE LYS 23 -27.653 5.191 -1.302 172 1HZ LYS 23 1HZ LYS 23 -28.197 3.418 -2.822 173 2HZ LYS 23 2HZ LYS 23 -27.103 2.849 -1.653 174 3HZ LYS 23 3HZ LYS 23 -26.562 3.206 -3.225 175 H ALA 24 H ALA 24 -20.263 6.404 -1.537 176 HA ALA 24 HA ALA 24 -21.271 9.027 -1.027 177 1HB ALA 24 1HB ALA 24 -19.151 9.483 -0.008 178 2HB ALA 24 2HB ALA 24 -18.349 8.244 -0.974 179 3HB ALA 24 3HB ALA 24 -19.483 7.776 0.293 180 H ALA 25 H ALA 25 -18.777 7.914 -3.329 181 HA ALA 25 HA ALA 25 -18.349 10.528 -4.496 182 1HB ALA 25 1HB ALA 25 -17.247 9.210 -6.342 183 2HB ALA 25 2HB ALA 25 -17.756 7.736 -5.519 184 3HB ALA 25 3HB ALA 25 -16.628 8.841 -4.732 185 H PHE 26 H PHE 26 -20.502 7.814 -5.228 186 HA PHE 26 HA PHE 26 -21.436 8.694 -7.784 187 1HB PHE 26 1HB PHE 26 -22.856 7.101 -5.623 188 2HB PHE 26 2HB PHE 26 -21.870 6.432 -6.921 189 HD1 PHE 26 HD1 PHE 26 -22.612 6.676 -9.301 190 HD2 PHE 26 HD2 PHE 26 -25.129 7.763 -5.995 191 HE1 PHE 26 HE1 PHE 26 -24.591 6.635 -10.796 192 HE2 PHE 26 HE2 PHE 26 -27.108 7.723 -7.491 193 HZ PHE 26 HZ PHE 26 -26.839 7.160 -9.891 194 H ASP 27 H ASP 27 -22.567 9.384 -4.477 195 HA ASP 27 HA ASP 27 -24.898 10.871 -5.150 196 1HB ASP 27 1HB ASP 27 -23.047 10.889 -2.767 197 2HB ASP 27 2HB ASP 27 -24.654 10.181 -2.893 198 H MET 28 H MET 28 -21.491 11.829 -5.131 199 HA MET 28 HA MET 28 -21.901 14.667 -5.121 200 1HB MET 28 1HB MET 28 -19.637 14.882 -5.838 201 2HB MET 28 2HB MET 28 -19.655 13.305 -6.621 202 1HG MET 28 1HG MET 28 -18.416 13.312 -4.446 203 2HG MET 28 2HG MET 28 -19.771 12.185 -4.473 204 1HE MET 28 1HE MET 28 -18.997 14.065 -0.988 205 2HE MET 28 2HE MET 28 -18.171 13.124 -2.227 206 3HE MET 28 3HE MET 28 -19.574 12.446 -1.404 207 H PHE 29 H PHE 29 -21.396 12.410 -7.836 208 HA PHE 29 HA PHE 29 -21.859 14.293 -9.929 209 1HB PHE 29 1HB PHE 29 -22.636 12.147 -11.181 210 2HB PHE 29 2HB PHE 29 -22.153 11.305 -9.712 211 HD1 PHE 29 HD1 PHE 29 -19.831 11.113 -9.069 212 HD2 PHE 29 HD2 PHE 29 -20.964 13.379 -12.538 213 HE1 PHE 29 HE1 PHE 29 -17.459 11.198 -9.788 214 HE2 PHE 29 HE2 PHE 29 -18.591 13.465 -13.255 215 HZ PHE 29 HZ PHE 29 -16.839 12.375 -11.880 216 H ASP 30 H ASP 30 -24.025 12.482 -7.886 217 HA ASP 30 HA ASP 30 -26.452 13.209 -9.379 218 1HB ASP 30 1HB ASP 30 -26.419 12.116 -6.582 219 2HB ASP 30 2HB ASP 30 -25.990 11.066 -7.931 220 H ALA 31 H ALA 31 -25.039 15.499 -8.686 221 HA ALA 31 HA ALA 31 -25.826 16.687 -6.189 222 1HB ALA 31 1HB ALA 31 -24.860 18.688 -7.009 223 2HB ALA 31 2HB ALA 31 -25.168 18.246 -8.688 224 3HB ALA 31 3HB ALA 31 -23.920 17.404 -7.771 225 H ASP 32 H ASP 32 -27.463 16.370 -9.272 226 HA ASP 32 HA ASP 32 -29.396 18.501 -8.694 227 1HB ASP 32 1HB ASP 32 -29.591 16.330 -10.801 228 2HB ASP 32 2HB ASP 32 -28.679 17.821 -11.032 229 H GLY 33 H GLY 33 -29.242 14.960 -8.439 230 1HA GLY 33 1HA GLY 33 -31.969 15.013 -7.198 231 2HA GLY 33 2HA GLY 33 -30.633 14.134 -6.457 232 H GLY 34 H GLY 34 -32.735 12.589 -6.933 233 1HA GLY 34 1HA GLY 34 -32.599 11.393 -9.627 234 2HA GLY 34 2HA GLY 34 -33.702 10.919 -8.335 235 H GLY 35 H GLY 35 -32.604 8.828 -9.542 236 1HA GLY 35 1HA GLY 35 -31.648 6.857 -8.388 237 2HA GLY 35 2HA GLY 35 -30.447 7.931 -7.672 238 H ASP 36 H ASP 36 -30.150 9.366 -10.333 239 HA ASP 36 HA ASP 36 -28.101 7.584 -11.422 240 1HB ASP 36 1HB ASP 36 -29.344 6.692 -13.076 241 2HB ASP 36 2HB ASP 36 -29.440 8.304 -13.777 242 H ILE 37 H ILE 37 -26.669 8.669 -12.853 243 HA ILE 37 HA ILE 37 -26.721 11.637 -12.566 244 HB ILE 37 HB ILE 37 -24.503 9.778 -13.491 245 1HG1 ILE 37 1HG1 ILE 37 -25.456 9.743 -11.003 246 2HG1 ILE 37 2HG1 ILE 37 -24.504 11.218 -10.853 247 1HG2 ILE 37 1HG2 ILE 37 -24.116 12.000 -14.338 248 2HG2 ILE 37 2HG2 ILE 37 -23.080 11.808 -12.926 249 3HG2 ILE 37 3HG2 ILE 37 -24.576 12.731 -12.799 250 1HD1 ILE 37 1HD1 ILE 37 -23.105 9.360 -10.194 251 2HD1 ILE 37 2HD1 ILE 37 -22.528 9.937 -11.758 252 3HD1 ILE 37 3HD1 ILE 37 -23.507 8.473 -11.663 253 H SER 38 H SER 38 -26.198 12.949 -14.497 254 HA SER 38 HA SER 38 -26.859 11.553 -17.063 255 1HB SER 38 1HB SER 38 -27.577 14.423 -16.837 256 2HB SER 38 2HB SER 38 -28.532 13.328 -15.840 257 HG SER 38 HG SER 38 -28.391 13.542 -18.593 258 H THR 39 H THR 39 -26.096 12.897 -19.003 259 HA THR 39 HA THR 39 -23.294 13.434 -18.754 260 HB THR 39 HB THR 39 -24.658 12.763 -20.855 261 HG1 THR 39 HG1 THR 39 -22.460 13.172 -20.924 262 1HG2 THR 39 1HG2 THR 39 -24.816 15.775 -21.133 263 2HG2 THR 39 2HG2 THR 39 -26.190 14.760 -20.696 264 3HG2 THR 39 3HG2 THR 39 -25.415 14.568 -22.268 265 H LYS 40 H LYS 40 -26.117 15.531 -18.554 266 HA LYS 40 HA LYS 40 -24.777 18.048 -18.862 267 1HB LYS 40 1HB LYS 40 -27.190 17.492 -17.115 268 2HB LYS 40 2HB LYS 40 -27.288 17.633 -18.866 269 1HG LYS 40 1HG LYS 40 -26.028 19.785 -17.159 270 2HG LYS 40 2HG LYS 40 -27.758 19.765 -17.497 271 1HD LYS 40 1HD LYS 40 -27.383 19.953 -19.861 272 2HD LYS 40 2HD LYS 40 -25.654 19.654 -19.673 273 1HE LYS 40 1HE LYS 40 -25.514 21.764 -18.308 274 2HE LYS 40 2HE LYS 40 -27.202 22.080 -18.714 275 1HZ LYS 40 1HZ LYS 40 -26.589 22.017 -21.066 276 2HZ LYS 40 2HZ LYS 40 -24.961 21.778 -20.642 277 3HZ LYS 40 3HZ LYS 40 -25.744 23.229 -20.233 278 H GLU 41 H GLU 41 -25.785 16.304 -15.916 279 HA GLU 41 HA GLU 41 -24.486 18.023 -14.046 280 1HB GLU 41 1HB GLU 41 -24.600 15.976 -12.527 281 2HB GLU 41 2HB GLU 41 -25.283 15.106 -13.900 282 1HG GLU 41 1HG GLU 41 -27.203 15.878 -12.796 283 2HG GLU 41 2HG GLU 41 -26.951 17.126 -14.016 284 H LEU 42 H LEU 42 -23.268 15.283 -15.930 285 HA LEU 42 HA LEU 42 -20.863 14.771 -14.512 286 1HB LEU 42 1HB LEU 42 -20.011 14.098 -16.870 287 2HB LEU 42 2HB LEU 42 -21.642 14.490 -17.411 288 HG LEU 42 HG LEU 42 -22.390 12.957 -15.426 289 1HD1 LEU 42 1HD1 LEU 42 -22.968 11.663 -17.171 290 2HD1 LEU 42 2HD1 LEU 42 -21.311 11.072 -17.299 291 3HD1 LEU 42 3HD1 LEU 42 -21.801 12.519 -18.178 292 1HD2 LEU 42 1HD2 LEU 42 -20.752 11.156 -14.958 293 2HD2 LEU 42 2HD2 LEU 42 -20.144 12.726 -14.437 294 3HD2 LEU 42 3HD2 LEU 42 -19.551 12.004 -15.932 295 H GLY 43 H GLY 43 -21.336 16.932 -17.350 296 1HA GLY 43 1HA GLY 43 -20.163 18.861 -17.991 297 2HA GLY 43 2HA GLY 43 -18.726 17.962 -17.516 298 H THR 44 H THR 44 -21.401 19.047 -15.430 299 HA THR 44 HA THR 44 -20.021 21.327 -14.336 300 HB THR 44 HB THR 44 -22.109 19.723 -12.848 301 HG1 THR 44 HG1 THR 44 -23.248 20.001 -14.601 302 1HG2 THR 44 1HG2 THR 44 -21.352 22.651 -13.001 303 2HG2 THR 44 2HG2 THR 44 -21.186 21.576 -11.614 304 3HG2 THR 44 3HG2 THR 44 -22.789 22.056 -12.169 305 H VAL 45 H VAL 45 -20.269 17.921 -13.320 306 HA VAL 45 HA VAL 45 -18.791 18.276 -10.861 307 HB VAL 45 HB VAL 45 -19.154 15.738 -12.490 308 1HG1 VAL 45 1HG1 VAL 45 -18.977 14.739 -10.133 309 2HG1 VAL 45 2HG1 VAL 45 -18.365 16.313 -9.626 310 3HG1 VAL 45 3HG1 VAL 45 -17.483 15.370 -10.826 311 1HG2 VAL 45 1HG2 VAL 45 -21.169 17.301 -11.434 312 2HG2 VAL 45 2HG2 VAL 45 -20.838 16.182 -10.111 313 3HG2 VAL 45 3HG2 VAL 45 -21.281 15.561 -11.701 314 H MET 46 H MET 46 -17.828 17.556 -14.213 315 HA MET 46 HA MET 46 -15.127 16.760 -13.622 316 1HB MET 46 1HB MET 46 -14.659 17.132 -15.955 317 2HB MET 46 2HB MET 46 -16.036 18.218 -16.119 318 1HG MET 46 1HG MET 46 -17.469 16.506 -16.431 319 2HG MET 46 2HG MET 46 -16.803 15.592 -15.079 320 1HE MET 46 1HE MET 46 -16.213 13.465 -15.420 321 2HE MET 46 2HE MET 46 -15.763 12.667 -16.924 322 3HE MET 46 3HE MET 46 -17.367 13.377 -16.757 323 NH1 ARG 47 NH1 ARG 47 -18.413 25.472 -15.352 324 NH2 ARG 47 NH2 ARG 47 -18.791 25.548 -17.587 325 H ARG 47 H ARG 47 -16.575 19.925 -14.394 326 HA ARG 47 HA ARG 47 -14.121 21.410 -14.265 327 1HB ARG 47 1HB ARG 47 -15.939 23.299 -13.681 328 2HB ARG 47 2HB ARG 47 -17.025 22.051 -14.295 329 1HG ARG 47 1HG ARG 47 -15.073 21.924 -16.163 330 2HG ARG 47 2HG ARG 47 -14.936 23.621 -15.710 331 1HD ARG 47 1HD ARG 47 -17.717 22.750 -16.053 332 2HD ARG 47 2HD ARG 47 -16.757 22.588 -17.524 333 HE ARG 47 HE ARG 47 -16.124 25.058 -17.089 334 1HH1 ARG 47 1HH1 ARG 47 -19.274 25.954 -15.188 335 2HH1 ARG 47 2HH1 ARG 47 -17.837 25.202 -14.579 336 1HH2 ARG 47 1HH2 ARG 47 -18.502 25.336 -18.522 337 2HH2 ARG 47 2HH2 ARG 47 -19.652 26.030 -17.428 338 H MET 48 H MET 48 -16.180 20.135 -11.749 339 HA MET 48 HA MET 48 -15.496 21.999 -9.676 340 1HB MET 48 1HB MET 48 -17.192 19.846 -9.845 341 2HB MET 48 2HB MET 48 -16.772 20.665 -8.346 342 1HG MET 48 1HG MET 48 -14.992 19.045 -7.912 343 2HG MET 48 2HG MET 48 -15.297 18.259 -9.461 344 1HE MET 48 1HE MET 48 -15.750 17.501 -5.868 345 2HE MET 48 2HE MET 48 -17.433 17.884 -5.516 346 3HE MET 48 3HE MET 48 -16.338 19.160 -6.042 347 H LEU 49 H LEU 49 -13.860 19.167 -11.003 348 HA LEU 49 HA LEU 49 -11.773 19.182 -8.940 349 1HB LEU 49 1HB LEU 49 -11.778 17.750 -11.614 350 2HB LEU 49 2HB LEU 49 -12.531 17.099 -10.159 351 HG LEU 49 HG LEU 49 -9.769 18.026 -9.735 352 1HD1 LEU 49 1HD1 LEU 49 -11.357 15.509 -9.180 353 2HD1 LEU 49 2HD1 LEU 49 -10.864 16.751 -8.029 354 3HD1 LEU 49 3HD1 LEU 49 -9.658 15.682 -8.743 355 1HD2 LEU 49 1HD2 LEU 49 -10.257 15.617 -11.516 356 2HD2 LEU 49 2HD2 LEU 49 -8.694 16.202 -10.944 357 3HD2 LEU 49 3HD2 LEU 49 -9.632 17.166 -12.085 358 H GLY 50 H GLY 50 -12.264 20.480 -12.202 359 1HA GLY 50 1HA GLY 50 -9.480 21.585 -12.123 360 2HA GLY 50 2HA GLY 50 -10.855 22.627 -12.479 361 H GLN 51 H GLN 51 -11.589 19.682 -13.857 362 HA GLN 51 HA GLN 51 -10.008 20.029 -16.321 363 1HB GLN 51 1HB GLN 51 -12.253 18.111 -16.319 364 2HB GLN 51 2HB GLN 51 -11.064 17.825 -15.052 365 1HG GLN 51 1HG GLN 51 -10.380 16.581 -17.016 366 2HG GLN 51 2HG GLN 51 -9.266 17.931 -16.809 367 1HE2 GLN 51 1HE2 GLN 51 -12.323 17.116 -18.582 368 2HE2 GLN 51 2HE2 GLN 51 -11.939 18.054 -19.942 369 H ASN 52 H ASN 52 -10.902 20.759 -18.286 370 HA ASN 52 HA ASN 52 -13.709 21.791 -18.122 371 1HB ASN 52 1HB ASN 52 -11.641 22.980 -19.958 372 2HB ASN 52 2HB ASN 52 -11.678 23.453 -18.262 373 1HD2 ASN 52 1HD2 ASN 52 -12.592 24.741 -21.020 374 2HD2 ASN 52 2HD2 ASN 52 -14.109 25.392 -20.626 375 HA PRO 53 HA PRO 53 -13.464 18.738 -21.582 376 1HB PRO 53 1HB PRO 53 -13.969 16.947 -20.217 377 2HB PRO 53 2HB PRO 53 -15.625 17.254 -20.761 378 1HG PRO 53 1HG PRO 53 -14.827 17.315 -18.108 379 2HG PRO 53 2HG PRO 53 -16.230 18.197 -18.731 380 1HD PRO 53 1HD PRO 53 -13.641 19.243 -17.807 381 2HD PRO 53 2HD PRO 53 -15.145 20.130 -18.130 382 H THR 54 H THR 54 -15.418 18.163 -23.111 383 HA THR 54 HA THR 54 -17.006 20.637 -23.468 384 HB THR 54 HB THR 54 -17.294 18.445 -25.435 385 HG1 THR 54 HG1 THR 54 -15.252 18.178 -25.752 386 1HG2 THR 54 1HG2 THR 54 -16.834 20.405 -26.961 387 2HG2 THR 54 2HG2 THR 54 -16.720 21.409 -25.516 388 3HG2 THR 54 3HG2 THR 54 -18.234 20.595 -25.907 389 H LYS 55 H LYS 55 -19.251 20.663 -23.372 390 HA LYS 55 HA LYS 55 -20.558 18.605 -21.822 391 1HB LYS 55 1HB LYS 55 -22.661 19.923 -22.504 392 2HB LYS 55 2HB LYS 55 -21.560 21.019 -23.339 393 1HG LYS 55 1HG LYS 55 -20.291 21.244 -21.155 394 2HG LYS 55 2HG LYS 55 -21.598 20.347 -20.381 395 1HD LYS 55 1HD LYS 55 -22.654 22.327 -20.126 396 2HD LYS 55 2HD LYS 55 -22.904 22.323 -21.872 397 1HE LYS 55 1HE LYS 55 -21.788 24.342 -21.627 398 2HE LYS 55 2HE LYS 55 -20.414 23.265 -21.880 399 1HZ LYS 55 1HZ LYS 55 -20.170 24.774 -19.951 400 2HZ LYS 55 2HZ LYS 55 -20.058 23.129 -19.540 401 3HZ LYS 55 3HZ LYS 55 -21.481 23.997 -19.207 402 H GLU 56 H GLU 56 -20.754 19.531 -25.281 403 HA GLU 56 HA GLU 56 -22.600 17.426 -25.980 404 1HB GLU 56 1HB GLU 56 -22.275 19.403 -27.424 405 2HB GLU 56 2HB GLU 56 -21.969 17.916 -28.314 406 1HG GLU 56 1HG GLU 56 -19.811 18.481 -28.694 407 2HG GLU 56 2HG GLU 56 -19.554 18.933 -27.010 408 H GLU 57 H GLU 57 -19.102 17.583 -25.647 409 HA GLU 57 HA GLU 57 -18.517 15.086 -27.000 410 1HB GLU 57 1HB GLU 57 -16.932 16.500 -24.829 411 2HB GLU 57 2HB GLU 57 -16.809 16.862 -26.550 412 1HG GLU 57 1HG GLU 57 -15.875 14.738 -27.041 413 2HG GLU 57 2HG GLU 57 -16.379 14.066 -25.489 414 H LEU 58 H LEU 58 -19.212 16.029 -23.645 415 HA LEU 58 HA LEU 58 -18.738 13.476 -22.438 416 1HB LEU 58 1HB LEU 58 -20.787 14.644 -20.955 417 2HB LEU 58 2HB LEU 58 -19.968 16.027 -21.678 418 HG LEU 58 HG LEU 58 -17.782 15.000 -20.878 419 1HD1 LEU 58 1HD1 LEU 58 -19.821 15.696 -18.738 420 2HD1 LEU 58 2HD1 LEU 58 -18.930 16.874 -19.701 421 3HD1 LEU 58 3HD1 LEU 58 -18.069 15.816 -18.583 422 1HD2 LEU 58 1HD2 LEU 58 -19.620 13.359 -19.111 423 2HD2 LEU 58 2HD2 LEU 58 -17.861 13.261 -19.218 424 3HD2 LEU 58 3HD2 LEU 58 -18.860 12.707 -20.563 425 H ASP 59 H ASP 59 -21.506 14.852 -24.120 426 HA ASP 59 HA ASP 59 -23.466 12.898 -23.416 427 1HB ASP 59 1HB ASP 59 -23.301 14.232 -26.127 428 2HB ASP 59 2HB ASP 59 -23.792 15.124 -24.687 429 H ALA 60 H ALA 60 -20.958 12.964 -25.932 430 HA ALA 60 HA ALA 60 -21.800 10.498 -27.210 431 1HB ALA 60 1HB ALA 60 -19.217 12.077 -27.258 432 2HB ALA 60 2HB ALA 60 -20.444 11.975 -28.520 433 3HB ALA 60 3HB ALA 60 -19.428 10.578 -28.164 434 H ILE 61 H ILE 61 -19.642 11.343 -24.559 435 HA ILE 61 HA ILE 61 -18.303 8.844 -24.253 436 HB ILE 61 HB ILE 61 -18.971 11.139 -22.416 437 1HG1 ILE 61 1HG1 ILE 61 -17.035 10.886 -24.234 438 2HG1 ILE 61 2HG1 ILE 61 -16.235 10.030 -22.916 439 1HG2 ILE 61 1HG2 ILE 61 -19.101 9.275 -20.897 440 2HG2 ILE 61 2HG2 ILE 61 -17.491 9.968 -20.700 441 3HG2 ILE 61 3HG2 ILE 61 -17.707 8.492 -21.640 442 1HD1 ILE 61 1HD1 ILE 61 -15.563 12.187 -22.422 443 2HD1 ILE 61 2HD1 ILE 61 -17.083 12.158 -21.530 444 3HD1 ILE 61 3HD1 ILE 61 -17.010 12.910 -23.124 445 H ILE 62 H ILE 62 -21.508 9.958 -23.212 446 HA ILE 62 HA ILE 62 -22.042 7.655 -21.512 447 HB ILE 62 HB ILE 62 -24.088 9.446 -22.843 448 1HG1 ILE 62 1HG1 ILE 62 -23.665 11.147 -21.355 449 2HG1 ILE 62 2HG1 ILE 62 -22.042 10.483 -21.423 450 1HG2 ILE 62 1HG2 ILE 62 -25.178 8.924 -20.505 451 2HG2 ILE 62 2HG2 ILE 62 -24.057 7.564 -20.497 452 3HG2 ILE 62 3HG2 ILE 62 -25.249 7.714 -21.788 453 1HD1 ILE 62 1HD1 ILE 62 -22.919 8.936 -19.470 454 2HD1 ILE 62 2HD1 ILE 62 -24.094 10.235 -19.253 455 3HD1 ILE 62 3HD1 ILE 62 -22.368 10.574 -19.129 456 H GLU 63 H GLU 63 -22.467 8.455 -24.918 457 HA GLU 63 HA GLU 63 -24.276 6.405 -25.690 458 1HB GLU 63 1HB GLU 63 -22.262 6.741 -27.710 459 2HB GLU 63 2HB GLU 63 -22.596 8.313 -26.984 460 1HG GLU 63 1HG GLU 63 -25.115 7.498 -27.232 461 2HG GLU 63 2HG GLU 63 -24.417 6.487 -28.496 462 H GLU 64 H GLU 64 -20.756 6.359 -25.205 463 HA GLU 64 HA GLU 64 -20.303 3.687 -26.168 464 1HB GLU 64 1HB GLU 64 -18.560 4.418 -23.950 465 2HB GLU 64 2HB GLU 64 -18.727 5.750 -25.092 466 1HG GLU 64 1HG GLU 64 -17.754 4.561 -26.826 467 2HG GLU 64 2HG GLU 64 -18.283 3.002 -26.193 468 H VAL 65 H VAL 65 -21.193 4.991 -22.978 469 HA VAL 65 HA VAL 65 -21.083 2.447 -21.592 470 HB VAL 65 HB VAL 65 -22.668 4.946 -20.901 471 1HG1 VAL 65 1HG1 VAL 65 -21.852 2.496 -19.315 472 2HG1 VAL 65 2HG1 VAL 65 -23.484 3.105 -19.595 473 3HG1 VAL 65 3HG1 VAL 65 -22.377 3.997 -18.551 474 1HG2 VAL 65 1HG2 VAL 65 -20.428 5.669 -20.961 475 2HG2 VAL 65 2HG2 VAL 65 -19.812 4.111 -20.411 476 3HG2 VAL 65 3HG2 VAL 65 -20.632 5.184 -19.277 477 H ASP 66 H ASP 66 -23.459 4.056 -23.594 478 HA ASP 66 HA ASP 66 -25.778 2.556 -22.757 479 1HB ASP 66 1HB ASP 66 -25.368 3.827 -25.476 480 2HB ASP 66 2HB ASP 66 -25.712 4.785 -24.040 481 H GLU 67 H GLU 67 -24.378 0.475 -22.795 482 HA GLU 67 HA GLU 67 -23.800 -0.773 -25.348 483 1HB GLU 67 1HB GLU 67 -24.298 -2.593 -23.093 484 2HB GLU 67 2HB GLU 67 -23.150 -1.311 -22.711 485 1HG GLU 67 1HG GLU 67 -21.933 -1.902 -24.854 486 2HG GLU 67 2HG GLU 67 -22.990 -3.309 -24.986 487 H ASP 68 H ASP 68 -26.409 -1.196 -22.937 488 HA ASP 68 HA ASP 68 -27.961 -2.754 -24.944 489 1HB ASP 68 1HB ASP 68 -28.858 -2.282 -22.108 490 2HB ASP 68 2HB ASP 68 -27.577 -3.449 -22.434 491 H GLY 69 H GLY 69 -28.372 0.009 -22.693 492 1HA GLY 69 1HA GLY 69 -30.900 0.792 -23.952 493 2HA GLY 69 2HA GLY 69 -29.549 1.853 -24.351 494 H SER 70 H SER 70 -28.242 2.553 -22.319 495 HA SER 70 HA SER 70 -29.941 2.812 -19.899 496 1HB SER 70 1HB SER 70 -27.505 4.128 -19.452 497 2HB SER 70 2HB SER 70 -27.084 2.730 -20.435 498 HG SER 70 HG SER 70 -27.790 2.805 -17.857 499 H GLY 71 H GLY 71 -27.826 5.036 -21.784 500 1HA GLY 71 1HA GLY 71 -29.962 7.094 -21.673 501 2HA GLY 71 2HA GLY 71 -28.500 7.175 -22.660 502 H THR 72 H THR 72 -29.283 6.848 -19.182 503 HA THR 72 HA THR 72 -27.345 9.047 -18.599 504 HB THR 72 HB THR 72 -28.626 9.318 -16.469 505 HG1 THR 72 HG1 THR 72 -29.623 7.478 -16.055 506 1HG2 THR 72 1HG2 THR 72 -30.437 10.501 -17.440 507 2HG2 THR 72 2HG2 THR 72 -30.530 9.392 -18.808 508 3HG2 THR 72 3HG2 THR 72 -29.177 10.516 -18.675 509 H ILE 73 H ILE 73 -26.269 8.721 -16.317 510 HA ILE 73 HA ILE 73 -25.277 5.919 -16.247 511 HB ILE 73 HB ILE 73 -24.316 8.057 -14.378 512 1HG1 ILE 73 1HG1 ILE 73 -24.377 9.057 -16.687 513 2HG1 ILE 73 2HG1 ILE 73 -23.358 7.729 -17.242 514 1HG2 ILE 73 1HG2 ILE 73 -22.194 6.821 -14.650 515 2HG2 ILE 73 2HG2 ILE 73 -22.972 5.753 -15.817 516 3HG2 ILE 73 3HG2 ILE 73 -23.498 5.752 -14.133 517 1HD1 ILE 73 1HD1 ILE 73 -21.760 9.356 -16.764 518 2HD1 ILE 73 2HD1 ILE 73 -21.815 8.483 -15.234 519 3HD1 ILE 73 3HD1 ILE 73 -22.681 10.009 -15.411 520 H ASP 74 H ASP 74 -25.794 4.522 -14.638 521 HA ASP 74 HA ASP 74 -27.600 5.496 -12.475 522 1HB ASP 74 1HB ASP 74 -27.987 2.890 -12.288 523 2HB ASP 74 2HB ASP 74 -27.353 2.888 -13.930 524 H PHE 75 H PHE 75 -27.374 3.666 -10.547 525 HA PHE 75 HA PHE 75 -24.777 4.215 -9.393 526 1HB PHE 75 1HB PHE 75 -26.818 2.209 -8.396 527 2HB PHE 75 2HB PHE 75 -26.934 3.939 -8.084 528 HD1 PHE 75 HD1 PHE 75 -26.375 1.316 -6.246 529 HD2 PHE 75 HD2 PHE 75 -24.026 4.605 -7.707 530 HE1 PHE 75 HE1 PHE 75 -24.832 1.071 -4.323 531 HE2 PHE 75 HE2 PHE 75 -22.483 4.356 -5.784 532 HZ PHE 75 HZ PHE 75 -22.887 2.591 -4.091 533 H GLU 76 H GLU 76 -26.324 1.220 -10.601 534 HA GLU 76 HA GLU 76 -23.952 -0.381 -10.169 535 1HB GLU 76 1HB GLU 76 -26.255 -1.350 -10.411 536 2HB GLU 76 2HB GLU 76 -25.076 -2.092 -11.493 537 1HG GLU 76 1HG GLU 76 -26.259 -1.459 -13.305 538 2HG GLU 76 2HG GLU 76 -26.279 0.218 -12.762 539 H GLU 77 H GLU 77 -24.937 1.844 -12.658 540 HA GLU 77 HA GLU 77 -23.106 0.828 -14.700 541 1HB GLU 77 1HB GLU 77 -24.037 3.691 -14.575 542 2HB GLU 77 2HB GLU 77 -25.187 2.423 -14.997 543 1HG GLU 77 1HG GLU 77 -22.513 2.697 -16.385 544 2HG GLU 77 2HG GLU 77 -23.947 3.552 -16.948 545 H PHE 78 H PHE 78 -23.127 3.196 -12.120 546 HA PHE 78 HA PHE 78 -20.559 4.370 -12.590 547 1HB PHE 78 1HB PHE 78 -22.345 4.091 -10.162 548 2HB PHE 78 2HB PHE 78 -22.132 5.507 -11.180 549 HD1 PHE 78 HD1 PHE 78 -21.120 3.898 -8.184 550 HD2 PHE 78 HD2 PHE 78 -19.674 6.472 -11.306 551 HE1 PHE 78 HE1 PHE 78 -19.300 4.681 -6.696 552 HE2 PHE 78 HE2 PHE 78 -17.853 7.253 -9.814 553 HZ PHE 78 HZ PHE 78 -17.666 6.358 -7.509 554 H LEU 79 H LEU 79 -21.678 1.540 -10.738 555 HA LEU 79 HA LEU 79 -19.076 0.973 -9.565 556 1HB LEU 79 1HB LEU 79 -20.063 -1.190 -8.941 557 2HB LEU 79 2HB LEU 79 -21.424 -0.886 -10.018 558 HG LEU 79 HG LEU 79 -21.821 1.254 -8.646 559 1HD1 LEU 79 1HD1 LEU 79 -23.042 -1.031 -8.482 560 2HD1 LEU 79 2HD1 LEU 79 -23.237 0.108 -7.150 561 3HD1 LEU 79 3HD1 LEU 79 -22.121 -1.250 -6.994 562 1HD2 LEU 79 1HD2 LEU 79 -20.943 0.939 -6.238 563 2HD2 LEU 79 2HD2 LEU 79 -19.789 1.504 -7.445 564 3HD2 LEU 79 3HD2 LEU 79 -19.784 -0.185 -6.944 565 H VAL 80 H VAL 80 -20.861 -0.375 -12.370 566 HA VAL 80 HA VAL 80 -18.849 -2.225 -13.180 567 HB VAL 80 HB VAL 80 -21.157 -0.843 -14.560 568 1HG1 VAL 80 1HG1 VAL 80 -19.128 -2.749 -15.713 569 2HG1 VAL 80 2HG1 VAL 80 -19.620 -1.174 -16.335 570 3HG1 VAL 80 3HG1 VAL 80 -20.737 -2.537 -16.404 571 1HG2 VAL 80 1HG2 VAL 80 -21.475 -2.695 -12.832 572 2HG2 VAL 80 2HG2 VAL 80 -20.689 -3.778 -13.980 573 3HG2 VAL 80 3HG2 VAL 80 -22.206 -2.990 -14.409 574 H MET 81 H MET 81 -19.410 1.203 -13.868 575 HA MET 81 HA MET 81 -17.393 1.454 -15.922 576 1HB MET 81 1HB MET 81 -19.036 3.305 -14.231 577 2HB MET 81 2HB MET 81 -18.891 3.231 -15.980 578 1HG MET 81 1HG MET 81 -16.444 4.042 -15.578 579 2HG MET 81 2HG MET 81 -17.042 4.512 -13.987 580 1HE MET 81 1HE MET 81 -19.580 7.154 -14.453 581 2HE MET 81 2HE MET 81 -18.912 5.839 -13.491 582 3HE MET 81 3HE MET 81 -20.174 5.502 -14.673 583 H MET 82 H MET 82 -17.458 1.918 -12.394 584 HA MET 82 HA MET 82 -14.692 2.788 -12.222 585 1HB MET 82 1HB MET 82 -16.079 1.384 -9.956 586 2HB MET 82 2HB MET 82 -16.659 2.971 -10.467 587 1HG MET 82 1HG MET 82 -14.026 3.505 -10.371 588 2HG MET 82 2HG MET 82 -14.080 2.213 -9.173 589 1HE MET 82 1HE MET 82 -16.734 3.143 -6.785 590 2HE MET 82 2HE MET 82 -15.025 2.916 -6.417 591 3HE MET 82 3HE MET 82 -15.795 1.919 -7.649 592 H VAL 83 H VAL 83 -16.256 -0.280 -12.614 593 HA VAL 83 HA VAL 83 -14.178 -1.948 -11.512 594 HB VAL 83 HB VAL 83 -16.768 -2.297 -12.647 595 1HG1 VAL 83 1HG1 VAL 83 -15.775 -2.839 -14.805 596 2HG1 VAL 83 2HG1 VAL 83 -16.358 -4.327 -14.059 597 3HG1 VAL 83 3HG1 VAL 83 -14.636 -3.950 -14.045 598 1HG2 VAL 83 1HG2 VAL 83 -16.234 -4.727 -11.820 599 2HG2 VAL 83 2HG2 VAL 83 -16.278 -3.409 -10.649 600 3HG2 VAL 83 3HG2 VAL 83 -14.730 -4.010 -11.244 601 NH1 ARG 84 NH1 ARG 84 -16.552 -0.492 -20.755 602 NH2 ARG 84 NH2 ARG 84 -17.004 -1.456 -18.752 603 H ARG 84 H ARG 84 -14.804 -0.585 -14.746 604 HA ARG 84 HA ARG 84 -12.499 -2.028 -15.888 605 1HB ARG 84 1HB ARG 84 -14.546 -1.596 -17.240 606 2HB ARG 84 2HB ARG 84 -13.093 -0.931 -17.984 607 1HG ARG 84 1HG ARG 84 -13.722 1.267 -16.752 608 2HG ARG 84 2HG ARG 84 -15.312 0.532 -16.551 609 1HD ARG 84 1HD ARG 84 -14.180 0.362 -19.284 610 2HD ARG 84 2HD ARG 84 -14.578 1.990 -18.737 611 HE ARG 84 HE ARG 84 -16.898 1.315 -18.539 612 1HH1 ARG 84 1HH1 ARG 84 -17.287 -2.295 -19.217 613 2HH1 ARG 84 2HH1 ARG 84 -17.035 -1.404 -17.754 614 1HH2 ARG 84 1HH2 ARG 84 -16.238 0.295 -21.287 615 2HH2 ARG 84 2HH2 ARG 84 -16.834 -1.329 -21.224 616 H GLN 85 H GLN 85 -12.689 0.588 -13.890 617 HA GLN 85 HA GLN 85 -10.361 1.946 -15.184 618 1HB GLN 85 1HB GLN 85 -11.061 3.925 -13.750 619 2HB GLN 85 2HB GLN 85 -12.532 3.030 -13.370 620 1HG GLN 85 1HG GLN 85 -13.379 3.252 -15.507 621 2HG GLN 85 2HG GLN 85 -11.780 3.281 -16.251 622 1HE2 GLN 85 1HE2 GLN 85 -14.406 5.258 -15.332 623 2HE2 GLN 85 2HE2 GLN 85 -13.619 6.757 -15.423 624 H MET 86 H MET 86 -11.687 0.671 -12.142 625 HA MET 86 HA MET 86 -9.381 1.449 -10.548 626 1HB MET 86 1HB MET 86 -11.281 -0.776 -9.824 627 2HB MET 86 2HB MET 86 -11.797 0.909 -9.758 628 1HG MET 86 1HG MET 86 -9.182 0.337 -8.487 629 2HG MET 86 2HG MET 86 -10.579 -0.385 -7.690 630 1HE MET 86 1HE MET 86 -9.390 1.907 -5.619 631 2HE MET 86 2HE MET 86 -10.441 0.504 -5.788 632 3HE MET 86 3HE MET 86 -11.121 2.050 -5.284 633 H LYS 87 H LYS 87 -10.273 -1.454 -12.384 634 HA LYS 87 HA LYS 87 -8.103 -3.048 -11.249 635 1HB LYS 87 1HB LYS 87 -8.717 -4.605 -13.194 636 2HB LYS 87 2HB LYS 87 -10.015 -3.465 -13.544 637 1HG LYS 87 1HG LYS 87 -11.191 -4.763 -12.090 638 2HG LYS 87 2HG LYS 87 -10.364 -3.801 -10.865 639 1HD LYS 87 1HD LYS 87 -9.873 -5.970 -10.152 640 2HD LYS 87 2HD LYS 87 -8.466 -5.611 -11.152 641 1HE LYS 87 1HE LYS 87 -9.576 -6.734 -13.073 642 2HE LYS 87 2HE LYS 87 -10.944 -7.130 -12.032 643 1HZ LYS 87 1HZ LYS 87 -9.555 -8.468 -10.664 644 2HZ LYS 87 2HZ LYS 87 -8.149 -7.956 -11.469 645 3HZ LYS 87 3HZ LYS 87 -9.282 -8.938 -12.269 646 H GLU 88 H GLU 88 -8.734 -1.839 -14.530 647 HA GLU 88 HA GLU 88 -6.156 -2.447 -15.566 648 1HB GLU 88 1HB GLU 88 -7.716 -0.111 -16.616 649 2HB GLU 88 2HB GLU 88 -8.380 -1.737 -16.771 650 1HG GLU 88 1HG GLU 88 -5.536 -1.178 -17.592 651 2HG GLU 88 2HG GLU 88 -6.864 -0.800 -18.689 652 H ASP 89 H ASP 89 -7.318 0.514 -13.963 653 HA ASP 89 HA ASP 89 -4.771 1.882 -14.494 654 1HB ASP 89 1HB ASP 89 -6.923 2.824 -12.597 655 2HB ASP 89 2HB ASP 89 -7.069 3.018 -14.343 656 H ALA 90 H ALA 90 -6.493 0.951 -11.463 657 HA ALA 90 HA ALA 90 -4.069 1.343 -9.894 658 1HB ALA 90 1HB ALA 90 -5.392 0.977 -8.033 659 2HB ALA 90 2HB ALA 90 -6.373 -0.249 -8.837 660 3HB ALA 90 3HB ALA 90 -6.631 1.459 -9.192 661 H LYS 91 H LYS 91 -2.560 -0.087 -10.925 662 HA LYS 91 HA LYS 91 -3.047 -2.936 -11.177 663 1HB LYS 91 1HB LYS 91 -0.332 -1.611 -10.995 664 2HB LYS 91 2HB LYS 91 -1.314 -1.532 -12.457 665 1HG LYS 91 1HG LYS 91 -0.899 -4.218 -11.212 666 2HG LYS 91 2HG LYS 91 0.466 -3.494 -12.059 667 1HD LYS 91 1HD LYS 91 -2.112 -3.307 -13.494 668 2HD LYS 91 2HD LYS 91 -1.511 -4.950 -13.277 669 1HE LYS 91 1HE LYS 91 -0.410 -4.390 -15.234 670 2HE LYS 91 2HE LYS 91 0.780 -3.829 -14.059 671 1HZ LYS 91 1HZ LYS 91 0.230 -2.191 -15.821 672 2HZ LYS 91 2HZ LYS 91 -0.036 -1.616 -14.245 673 3HZ LYS 91 3HZ LYS 91 -1.348 -2.106 -15.206 674 H GLY 92 H GLY 92 -1.334 -0.894 -8.801 675 1HA GLY 92 1HA GLY 92 -0.439 -3.059 -7.118 676 2HA GLY 92 2HA GLY 92 -1.979 -2.428 -6.522 677 H LYS 93 H LYS 93 -1.597 0.254 -7.330 678 HA LYS 93 HA LYS 93 0.866 1.216 -6.062 679 1HB LYS 93 1HB LYS 93 -1.052 3.248 -6.858 680 2HB LYS 93 2HB LYS 93 -0.758 2.116 -8.163 681 1HG LYS 93 1HG LYS 93 1.639 2.397 -7.896 682 2HG LYS 93 2HG LYS 93 1.384 3.561 -6.595 683 1HD LYS 93 1HD LYS 93 1.539 5.060 -8.337 684 2HD LYS 93 2HD LYS 93 -0.175 4.677 -8.498 685 1HE LYS 93 1HE LYS 93 0.277 3.059 -10.230 686 2HE LYS 93 2HE LYS 93 2.015 3.170 -9.954 687 1HZ LYS 93 1HZ LYS 93 1.244 4.460 -11.891 688 2HZ LYS 93 2HZ LYS 93 2.007 5.423 -10.717 689 3HZ LYS 93 3HZ LYS 93 0.313 5.430 -10.857 690 H SER 94 H SER 94 -2.581 0.956 -5.363 691 HA SER 94 HA SER 94 -2.642 2.840 -3.182 692 1HB SER 94 1HB SER 94 -4.566 0.968 -2.551 693 2HB SER 94 2HB SER 94 -4.422 0.775 -4.295 694 HG SER 94 HG SER 94 -5.928 2.423 -3.607 695 H GLU 95 H GLU 95 -2.428 -0.749 -3.193 696 HA GLU 95 HA GLU 95 -1.804 -0.879 -0.358 697 1HB GLU 95 1HB GLU 95 -1.004 -3.285 -1.218 698 2HB GLU 95 2HB GLU 95 -1.945 -2.812 -2.632 699 1HG GLU 95 1HG GLU 95 -3.164 -2.386 0.067 700 2HG GLU 95 2HG GLU 95 -3.079 -4.037 -0.548 701 H GLU 96 H GLU 96 -0.003 0.752 -0.444 702 HA GLU 96 HA GLU 96 2.458 0.149 -1.843 703 1HB GLU 96 1HB GLU 96 3.423 1.897 -0.283 704 2HB GLU 96 2HB GLU 96 1.835 1.999 0.476 705 1HG GLU 96 1HG GLU 96 1.289 2.184 -2.255 706 2HG GLU 96 2HG GLU 96 2.761 3.134 -2.053 707 H GLU 97 H GLU 97 1.560 -0.090 1.626 708 HA GLU 97 HA GLU 97 4.001 -1.332 2.445 709 1HB GLU 97 1HB GLU 97 2.450 -0.282 4.043 710 2HB GLU 97 2HB GLU 97 2.787 -1.950 4.498 711 1HG GLU 97 1HG GLU 97 0.649 -2.661 3.998 712 2HG GLU 97 2HG GLU 97 0.429 -1.457 2.729 713 H LEU 98 H LEU 98 0.922 -2.756 1.324 714 HA LEU 98 HA LEU 98 1.739 -5.483 1.851 715 1HB LEU 98 1HB LEU 98 -0.147 -6.074 0.283 716 2HB LEU 98 2HB LEU 98 -0.388 -4.359 0.010 717 HG LEU 98 HG LEU 98 -1.737 -5.727 1.891 718 1HD1 LEU 98 1HD1 LEU 98 -0.794 -5.488 4.079 719 2HD1 LEU 98 2HD1 LEU 98 0.562 -4.546 3.464 720 3HD1 LEU 98 3HD1 LEU 98 0.437 -6.263 3.084 721 1HD2 LEU 98 1HD2 LEU 98 -2.591 -3.655 2.024 722 2HD2 LEU 98 2HD2 LEU 98 -1.114 -2.971 1.346 723 3HD2 LEU 98 3HD2 LEU 98 -1.261 -3.200 3.089 724 H ALA 99 H ALA 99 2.005 -3.326 -0.963 725 HA ALA 99 HA ALA 99 2.897 -5.327 -2.828 726 1HB ALA 99 1HB ALA 99 3.826 -3.361 -4.092 727 2HB ALA 99 2HB ALA 99 3.375 -2.336 -2.731 728 3HB ALA 99 3HB ALA 99 2.129 -3.180 -3.649 729 H ASN 100 H ASN 100 4.621 -3.243 -0.523 730 HA ASN 100 HA ASN 100 7.277 -3.917 -1.375 731 1HB ASN 100 1HB ASN 100 6.454 -3.204 1.453 732 2HB ASN 100 2HB ASN 100 6.585 -2.001 0.172 733 1HD2 ASN 100 1HD2 ASN 100 8.332 -3.296 2.688 734 2HD2 ASN 100 2HD2 ASN 100 9.904 -3.048 2.098 735 H CYS 101 H CYS 101 5.277 -5.190 1.322 736 HA CYS 101 HA CYS 101 7.100 -7.268 2.080 737 1HB CYS 101 1HB CYS 101 4.946 -8.330 3.037 738 2HB CYS 101 2HB CYS 101 4.124 -6.886 2.445 739 HG CYS 101 HG CYS 101 5.331 -6.851 5.022 740 H PHE 102 H PHE 102 4.436 -7.162 -0.264 741 HA PHE 102 HA PHE 102 4.302 -9.922 -0.929 742 1HB PHE 102 1HB PHE 102 3.926 -7.570 -2.811 743 2HB PHE 102 2HB PHE 102 2.697 -8.134 -1.680 744 HD1 PHE 102 HD1 PHE 102 1.863 -10.532 -1.876 745 HD2 PHE 102 HD2 PHE 102 4.238 -8.639 -4.911 746 HE1 PHE 102 HE1 PHE 102 1.114 -12.229 -3.518 747 HE2 PHE 102 HE2 PHE 102 3.491 -10.338 -6.556 748 HZ PHE 102 HZ PHE 102 1.915 -12.133 -5.859 749 NH1 ARG 103 NH1 ARG 103 6.620 -6.918 -9.227 750 NH2 ARG 103 NH2 ARG 103 8.592 -5.799 -9.299 751 H ARG 103 H ARG 103 6.336 -7.314 -2.309 752 HA ARG 103 HA ARG 103 7.653 -9.041 -4.216 753 1HB ARG 103 1HB ARG 103 9.145 -6.679 -3.225 754 2HB ARG 103 2HB ARG 103 7.542 -6.339 -3.877 755 1HG ARG 103 1HG ARG 103 9.230 -8.206 -5.462 756 2HG ARG 103 2HG ARG 103 9.758 -6.523 -5.426 757 1HD ARG 103 1HD ARG 103 7.704 -5.750 -6.339 758 2HD ARG 103 2HD ARG 103 6.890 -7.281 -6.012 759 HE ARG 103 HE ARG 103 8.761 -8.124 -7.753 760 1HH1 ARG 103 1HH1 ARG 103 8.287 -5.308 -10.116 761 2HH1 ARG 103 2HH1 ARG 103 9.500 -5.617 -8.918 762 1HH2 ARG 103 1HH2 ARG 103 6.020 -7.590 -8.792 763 2HH2 ARG 103 2HH2 ARG 103 6.310 -6.430 -10.043 764 H ILE 104 H ILE 104 8.350 -8.133 -0.865 765 HA ILE 104 HA ILE 104 11.022 -9.135 -0.726 766 HB ILE 104 HB ILE 104 8.869 -8.903 1.402 767 1HG1 ILE 104 1HG1 ILE 104 9.946 -6.863 0.128 768 2HG1 ILE 104 2HG1 ILE 104 11.337 -7.200 1.159 769 1HG2 ILE 104 1HG2 ILE 104 10.443 -10.532 2.207 770 2HG2 ILE 104 2HG2 ILE 104 10.854 -9.004 2.984 771 3HG2 ILE 104 3HG2 ILE 104 11.813 -9.587 1.624 772 1HD1 ILE 104 1HD1 ILE 104 10.286 -5.946 2.725 773 2HD1 ILE 104 2HD1 ILE 104 9.191 -7.315 2.922 774 3HD1 ILE 104 3HD1 ILE 104 8.760 -5.987 1.844 775 H PHE 105 H PHE 105 7.916 -10.794 -0.723 776 HA PHE 105 HA PHE 105 9.020 -13.295 0.312 777 1HB PHE 105 1HB PHE 105 6.749 -14.187 -0.533 778 2HB PHE 105 2HB PHE 105 6.361 -12.500 -0.867 779 HD1 PHE 105 HD1 PHE 105 5.260 -11.334 0.819 780 HD2 PHE 105 HD2 PHE 105 7.924 -14.531 1.889 781 HE1 PHE 105 HE1 PHE 105 4.715 -10.989 3.212 782 HE2 PHE 105 HE2 PHE 105 7.377 -14.185 4.282 783 HZ PHE 105 HZ PHE 105 5.773 -12.413 4.944 784 H ASP 106 H ASP 106 8.182 -12.015 -2.939 785 HA ASP 106 HA ASP 106 9.227 -14.555 -4.096 786 1HB ASP 106 1HB ASP 106 7.284 -14.094 -5.277 787 2HB ASP 106 2HB ASP 106 8.484 -13.337 -6.316 788 H LYS 107 H LYS 107 11.457 -14.273 -3.707 789 HA LYS 107 HA LYS 107 12.889 -11.876 -4.471 790 1HB LYS 107 1HB LYS 107 13.695 -13.528 -2.757 791 2HB LYS 107 2HB LYS 107 14.903 -13.112 -3.969 792 1HG LYS 107 1HG LYS 107 14.156 -15.192 -5.245 793 2HG LYS 107 2HG LYS 107 13.235 -15.635 -3.808 794 1HD LYS 107 1HD LYS 107 16.183 -14.978 -3.683 795 2HD LYS 107 2HD LYS 107 15.605 -16.610 -4.016 796 1HE LYS 107 1HE LYS 107 15.092 -16.956 -1.845 797 2HE LYS 107 2HE LYS 107 14.220 -15.428 -1.740 798 1HZ LYS 107 1HZ LYS 107 16.409 -14.312 -1.560 799 2HZ LYS 107 2HZ LYS 107 17.146 -15.841 -1.468 800 3HZ LYS 107 3HZ LYS 107 16.063 -15.342 -0.258 801 H ASN 108 H ASN 108 11.472 -14.218 -6.435 802 HA ASN 108 HA ASN 108 13.577 -14.233 -8.493 803 1HB ASN 108 1HB ASN 108 10.746 -15.293 -8.703 804 2HB ASN 108 2HB ASN 108 12.068 -16.218 -7.992 805 1HD2 ASN 108 1HD2 ASN 108 13.888 -16.820 -9.452 806 2HD2 ASN 108 2HD2 ASN 108 13.653 -16.857 -11.133 807 H ALA 109 H ALA 109 10.807 -12.328 -7.646 808 HA ALA 109 HA ALA 109 9.855 -10.453 -8.655 809 1HB ALA 109 1HB ALA 109 11.997 -10.521 -10.768 810 2HB ALA 109 2HB ALA 109 12.401 -10.069 -9.113 811 3HB ALA 109 3HB ALA 109 11.220 -9.127 -10.021 812 H ASP 110 H ASP 110 8.680 -12.821 -9.300 813 HA ASP 110 HA ASP 110 8.331 -12.845 -12.258 814 1HB ASP 110 1HB ASP 110 7.005 -14.782 -10.373 815 2HB ASP 110 2HB ASP 110 8.716 -14.966 -10.754 816 H GLY 111 H GLY 111 6.518 -12.443 -9.221 817 1HA GLY 111 1HA GLY 111 4.103 -11.667 -10.787 818 2HA GLY 111 2HA GLY 111 4.756 -10.543 -9.597 819 H PHE 112 H PHE 112 4.990 -13.955 -8.912 820 HA PHE 112 HA PHE 112 2.943 -13.615 -6.768 821 1HB PHE 112 1HB PHE 112 1.864 -15.668 -7.267 822 2HB PHE 112 2HB PHE 112 3.164 -16.191 -8.333 823 HD1 PHE 112 HD1 PHE 112 0.522 -13.563 -7.980 824 HD2 PHE 112 HD2 PHE 112 3.026 -15.810 -10.649 825 HE1 PHE 112 HE1 PHE 112 -0.681 -12.596 -9.920 826 HE2 PHE 112 HE2 PHE 112 1.825 -14.841 -12.590 827 HZ PHE 112 HZ PHE 112 -0.029 -13.235 -12.226 828 H ILE 113 H ILE 113 3.255 -15.168 -4.982 829 HA ILE 113 HA ILE 113 6.125 -15.792 -4.600 830 HB ILE 113 HB ILE 113 3.742 -15.928 -2.721 831 1HG1 ILE 113 1HG1 ILE 113 6.028 -14.014 -3.156 832 2HG1 ILE 113 2HG1 ILE 113 5.310 -14.174 -1.555 833 1HG2 ILE 113 1HG2 ILE 113 5.577 -16.282 -0.974 834 2HG2 ILE 113 2HG2 ILE 113 6.651 -16.669 -2.319 835 3HG2 ILE 113 3HG2 ILE 113 5.229 -17.666 -2.011 836 1HD1 ILE 113 1HD1 ILE 113 3.042 -13.851 -2.765 837 2HD1 ILE 113 2HD1 ILE 113 4.011 -13.245 -4.108 838 3HD1 ILE 113 3HD1 ILE 113 4.069 -12.435 -2.543 839 H ASP 114 H ASP 114 6.860 -17.781 -5.139 840 HA ASP 114 HA ASP 114 4.909 -19.986 -5.502 841 1HB ASP 114 1HB ASP 114 6.629 -21.116 -6.733 842 2HB ASP 114 2HB ASP 114 7.879 -20.057 -6.087 843 H ILE 115 H ILE 115 5.376 -22.119 -4.579 844 HA ILE 115 HA ILE 115 6.083 -22.018 -1.799 845 HB ILE 115 HB ILE 115 4.629 -23.720 -3.251 846 1HG1 ILE 115 1HG1 ILE 115 4.519 -25.119 -1.354 847 2HG1 ILE 115 2HG1 ILE 115 4.967 -23.543 -0.719 848 1HG2 ILE 115 1HG2 ILE 115 7.320 -25.106 -3.072 849 2HG2 ILE 115 2HG2 ILE 115 6.499 -24.614 -4.554 850 3HG2 ILE 115 3HG2 ILE 115 5.804 -25.876 -3.539 851 1HD1 ILE 115 1HD1 ILE 115 6.351 -25.996 -0.382 852 2HD1 ILE 115 2HD1 ILE 115 6.857 -24.396 0.158 853 3HD1 ILE 115 3HD1 ILE 115 7.358 -24.992 -1.423 854 H GLU 116 H GLU 116 7.910 -22.665 -4.728 855 HA GLU 116 HA GLU 116 10.226 -23.826 -3.443 856 1HB GLU 116 1HB GLU 116 9.826 -24.118 -5.860 857 2HB GLU 116 2HB GLU 116 11.379 -23.335 -5.585 858 1HG GLU 116 1HG GLU 116 10.412 -21.151 -6.090 859 2HG GLU 116 2HG GLU 116 8.805 -21.859 -6.232 860 H GLU 117 H GLU 117 9.213 -20.518 -4.234 861 HA GLU 117 HA GLU 117 11.701 -19.225 -3.623 862 1HB GLU 117 1HB GLU 117 10.305 -17.177 -3.320 863 2HB GLU 117 2HB GLU 117 8.856 -18.177 -3.411 864 1HG GLU 117 1HG GLU 117 9.391 -17.109 -5.593 865 2HG GLU 117 2HG GLU 117 9.447 -18.867 -5.692 866 H LEU 118 H LEU 118 8.795 -19.895 -1.629 867 HA LEU 118 HA LEU 118 9.993 -18.839 0.796 868 1HB LEU 118 1HB LEU 118 7.671 -20.780 0.534 869 2HB LEU 118 2HB LEU 118 7.518 -19.031 0.404 870 HG LEU 118 HG LEU 118 8.917 -20.125 2.810 871 1HD1 LEU 118 1HD1 LEU 118 8.625 -17.671 2.305 872 2HD1 LEU 118 2HD1 LEU 118 7.945 -18.170 3.852 873 3HD1 LEU 118 3HD1 LEU 118 6.885 -17.901 2.470 874 1HD2 LEU 118 1HD2 LEU 118 5.905 -20.146 2.423 875 2HD2 LEU 118 2HD2 LEU 118 6.735 -20.428 3.953 876 3HD2 LEU 118 3HD2 LEU 118 6.931 -21.567 2.622 877 H GLY 119 H GLY 119 8.764 -22.132 1.019 878 1HA GLY 119 1HA GLY 119 11.067 -23.677 0.727 879 2HA GLY 119 2HA GLY 119 9.776 -24.074 1.851 880 H GLU 120 H GLU 120 13.021 -23.078 1.548 881 HA GLU 120 HA GLU 120 13.674 -23.453 4.275 882 1HB GLU 120 1HB GLU 120 15.725 -21.959 3.619 883 2HB GLU 120 2HB GLU 120 15.056 -22.080 1.989 884 1HG GLU 120 1HG GLU 120 15.156 -24.508 2.077 885 2HG GLU 120 2HG GLU 120 15.647 -24.466 3.771 886 H ILE 121 H ILE 121 12.531 -20.555 2.610 887 HA ILE 121 HA ILE 121 13.292 -18.572 4.479 888 HB ILE 121 HB ILE 121 10.875 -18.854 2.680 889 1HG1 ILE 121 1HG1 ILE 121 13.127 -18.426 1.690 890 2HG1 ILE 121 2HG1 ILE 121 13.251 -16.962 2.664 891 1HG2 ILE 121 1HG2 ILE 121 10.148 -17.527 4.611 892 2HG2 ILE 121 2HG2 ILE 121 10.356 -16.478 3.208 893 3HG2 ILE 121 3HG2 ILE 121 11.583 -16.510 4.476 894 1HD1 ILE 121 1HD1 ILE 121 10.771 -17.223 1.056 895 2HD1 ILE 121 2HD1 ILE 121 12.257 -17.000 0.133 896 3HD1 ILE 121 3HD1 ILE 121 11.782 -15.808 1.343 897 H LEU 122 H LEU 122 10.382 -20.668 4.454 898 HA LEU 122 HA LEU 122 9.406 -19.635 6.986 899 1HB LEU 122 1HB LEU 122 8.201 -20.954 5.017 900 2HB LEU 122 2HB LEU 122 7.596 -21.022 6.664 901 HG LEU 122 HG LEU 122 9.637 -23.057 5.962 902 1HD1 LEU 122 1HD1 LEU 122 8.503 -24.316 7.539 903 2HD1 LEU 122 2HD1 LEU 122 6.941 -23.609 7.130 904 3HD1 LEU 122 3HD1 LEU 122 8.094 -22.695 8.101 905 1HD2 LEU 122 1HD2 LEU 122 6.812 -23.417 4.976 906 2HD2 LEU 122 2HD2 LEU 122 8.238 -24.385 4.600 907 3HD2 LEU 122 3HD2 LEU 122 8.073 -22.764 3.930 908 NH1 ARG 123 NH1 ARG 123 14.328 -28.894 5.747 909 NH2 ARG 123 NH2 ARG 123 12.618 -29.669 7.022 910 H ARG 123 H ARG 123 11.353 -22.441 6.032 911 HA ARG 123 HA ARG 123 11.476 -23.629 8.668 912 1HB ARG 123 1HB ARG 123 13.540 -24.789 7.644 913 2HB ARG 123 2HB ARG 123 13.119 -23.939 6.157 914 1HG ARG 123 1HG ARG 123 10.877 -24.957 6.198 915 2HG ARG 123 2HG ARG 123 11.268 -25.777 7.710 916 1HD ARG 123 1HD ARG 123 12.992 -26.143 5.263 917 2HD ARG 123 2HD ARG 123 11.531 -27.104 5.488 918 HE ARG 123 HE ARG 123 13.316 -27.122 7.809 919 1HH1 ARG 123 1HH1 ARG 123 12.834 -30.607 6.746 920 2HH1 ARG 123 2HH1 ARG 123 11.857 -29.496 7.648 921 1HH2 ARG 123 1HH2 ARG 123 14.873 -28.129 5.400 922 2HH2 ARG 123 2HH2 ARG 123 14.548 -29.829 5.468 923 H ALA 124 H ALA 124 13.126 -20.931 7.238 924 HA ALA 124 HA ALA 124 15.606 -20.944 8.587 925 1HB ALA 124 1HB ALA 124 14.951 -19.321 6.817 926 2HB ALA 124 2HB ALA 124 15.632 -18.530 8.238 927 3HB ALA 124 3HB ALA 124 13.887 -18.522 7.976 928 H THR 125 H THR 125 12.426 -20.487 9.949 929 HA THR 125 HA THR 125 13.117 -18.895 12.222 930 HB THR 125 HB THR 125 10.780 -19.271 11.608 931 HG1 THR 125 HG1 THR 125 10.198 -19.234 13.627 932 1HG2 THR 125 1HG2 THR 125 11.555 -21.928 11.261 933 2HG2 THR 125 2HG2 THR 125 9.909 -21.306 11.174 934 3HG2 THR 125 3HG2 THR 125 10.521 -21.970 12.688 935 H GLY 126 H GLY 126 13.417 -22.391 11.621 936 1HA GLY 126 1HA GLY 126 15.016 -22.563 14.134 937 2HA GLY 126 2HA GLY 126 15.165 -23.655 12.762 938 H GLU 127 H GLU 127 11.946 -22.820 13.846 939 HA GLU 127 HA GLU 127 11.564 -24.835 15.826 940 1HB GLU 127 1HB GLU 127 9.142 -24.599 15.304 941 2HB GLU 127 2HB GLU 127 9.560 -23.646 13.879 942 1HG GLU 127 1HG GLU 127 9.017 -22.123 15.697 943 2HG GLU 127 2HG GLU 127 10.749 -22.026 15.389 944 H HIS 128 H HIS 128 10.717 -26.967 15.663 945 HA HIS 128 HA HIS 128 11.518 -28.405 13.258 946 1HB HIS 128 1HB HIS 128 9.888 -29.646 15.460 947 2HB HIS 128 2HB HIS 128 11.562 -29.187 15.767 948 HD1 HIS 128 HD1 HIS 128 13.279 -30.121 13.753 949 HD2 HIS 128 HD2 HIS 128 9.701 -32.171 14.367 950 HE1 HIS 128 HE1 HIS 128 13.573 -32.406 12.703 951 H VAL 129 H VAL 129 10.041 -27.325 11.736 952 HA VAL 129 HA VAL 129 7.157 -27.809 12.031 953 HB VAL 129 HB VAL 129 8.040 -25.734 10.972 954 1HG1 VAL 129 1HG1 VAL 129 9.938 -26.985 9.788 955 2HG1 VAL 129 2HG1 VAL 129 9.102 -25.759 8.837 956 3HG1 VAL 129 3HG1 VAL 129 8.732 -27.466 8.594 957 1HG2 VAL 129 1HG2 VAL 129 6.485 -27.342 8.944 958 2HG2 VAL 129 2HG2 VAL 129 6.376 -25.614 9.278 959 3HG2 VAL 129 3HG2 VAL 129 5.761 -26.778 10.450 960 H ILE 130 H ILE 130 5.942 -28.968 10.373 961 HA ILE 130 HA ILE 130 7.452 -31.341 9.366 962 HB ILE 130 HB ILE 130 4.892 -32.126 9.092 963 1HG1 ILE 130 1HG1 ILE 130 4.194 -29.836 10.088 964 2HG1 ILE 130 2HG1 ILE 130 4.748 -30.493 11.628 965 1HG2 ILE 130 1HG2 ILE 130 5.182 -33.373 11.132 966 2HG2 ILE 130 2HG2 ILE 130 6.299 -32.168 11.774 967 3HG2 ILE 130 3HG2 ILE 130 6.779 -33.177 10.409 968 1HD1 ILE 130 1HD1 ILE 130 3.217 -32.419 11.342 969 2HD1 ILE 130 2HD1 ILE 130 2.657 -31.740 9.814 970 3HD1 ILE 130 3HD1 ILE 130 2.333 -30.892 11.327 971 H GLU 131 H GLU 131 7.292 -31.926 7.186 972 HA GLU 131 HA GLU 131 6.676 -29.840 5.306 973 1HB GLU 131 1HB GLU 131 8.362 -31.536 4.785 974 2HB GLU 131 2HB GLU 131 7.073 -31.591 3.590 975 1HG GLU 131 1HG GLU 131 6.135 -33.359 5.458 976 2HG GLU 131 2HG GLU 131 7.874 -33.612 5.585 977 H GLU 132 H GLU 132 4.764 -32.382 6.749 978 HA GLU 132 HA GLU 132 2.687 -32.423 4.742 979 1HB GLU 132 1HB GLU 132 3.010 -33.397 7.566 980 2HB GLU 132 2HB GLU 132 2.606 -34.308 6.114 981 1HG GLU 132 1HG GLU 132 0.706 -32.277 7.271 982 2HG GLU 132 2HG GLU 132 0.732 -33.938 7.852 983 H ASP 133 H ASP 133 3.406 -30.471 7.615 984 HA ASP 133 HA ASP 133 0.831 -29.096 7.614 985 1HB ASP 133 1HB ASP 133 3.438 -28.175 8.861 986 2HB ASP 133 2HB ASP 133 2.336 -29.315 9.632 987 H ILE 134 H ILE 134 4.113 -28.350 6.415 988 HA ILE 134 HA ILE 134 3.438 -25.730 5.405 989 HB ILE 134 HB ILE 134 5.662 -27.646 4.609 990 1HG1 ILE 134 1HG1 ILE 134 5.534 -26.741 7.018 991 2HG1 ILE 134 2HG1 ILE 134 5.841 -25.152 6.319 992 1HG2 ILE 134 1HG2 ILE 134 5.240 -26.001 2.833 993 2HG2 ILE 134 2HG2 ILE 134 6.746 -25.616 3.667 994 3HG2 ILE 134 3HG2 ILE 134 5.285 -24.692 4.015 995 1HD1 ILE 134 1HD1 ILE 134 7.913 -26.082 5.254 996 2HD1 ILE 134 2HD1 ILE 134 7.624 -27.599 6.104 997 3HD1 ILE 134 3HD1 ILE 134 7.962 -26.129 7.015 998 H GLU 135 H GLU 135 3.657 -28.952 3.863 999 HA GLU 135 HA GLU 135 2.926 -28.090 1.228 1000 1HB GLU 135 1HB GLU 135 2.219 -30.813 2.306 1001 2HB GLU 135 2HB GLU 135 3.906 -30.370 2.043 1002 1HG GLU 135 1HG GLU 135 3.240 -29.704 -0.320 1003 2HG GLU 135 2HG GLU 135 1.678 -30.463 -0.007 1004 H ASP 136 H ASP 136 0.911 -29.621 3.782 1005 HA ASP 136 HA ASP 136 -1.567 -29.475 2.429 1006 1HB ASP 136 1HB ASP 136 -1.460 -29.015 5.391 1007 2HB ASP 136 2HB ASP 136 -0.901 -30.555 4.742 1008 H LEU 137 H LEU 137 0.158 -26.977 4.275 1009 HA LEU 137 HA LEU 137 -1.923 -25.088 4.589 1010 1HB LEU 137 1HB LEU 137 0.898 -24.320 3.823 1011 2HB LEU 137 2HB LEU 137 0.523 -24.980 5.414 1012 HG LEU 137 HG LEU 137 -0.993 -22.632 4.272 1013 1HD1 LEU 137 1HD1 LEU 137 -2.057 -23.692 6.165 1014 2HD1 LEU 137 2HD1 LEU 137 -1.310 -22.204 6.749 1015 3HD1 LEU 137 3HD1 LEU 137 -0.532 -23.758 7.050 1016 1HD2 LEU 137 1HD2 LEU 137 1.512 -22.582 5.986 1017 2HD2 LEU 137 2HD2 LEU 137 0.535 -21.176 5.559 1018 3HD2 LEU 137 3HD2 LEU 137 1.408 -22.057 4.305 1019 H MET 138 H MET 138 0.249 -25.636 1.808 1020 HA MET 138 HA MET 138 -0.889 -23.561 0.153 1021 1HB MET 138 1HB MET 138 0.170 -25.734 -1.419 1022 2HB MET 138 2HB MET 138 1.233 -25.439 -0.043 1023 1HG MET 138 1HG MET 138 0.197 -23.134 -1.679 1024 2HG MET 138 2HG MET 138 1.588 -24.060 -2.238 1025 1HE MET 138 1HE MET 138 2.273 -21.402 -2.128 1026 2HE MET 138 2HE MET 138 2.727 -20.579 -0.637 1027 3HE MET 138 3HE MET 138 1.025 -20.846 -1.003 1028 H LYS 139 H LYS 139 -1.666 -26.952 0.737 1029 HA LYS 139 HA LYS 139 -3.443 -27.362 -1.478 1030 1HB LYS 139 1HB LYS 139 -4.240 -29.300 -0.281 1031 2HB LYS 139 2HB LYS 139 -3.655 -28.659 1.251 1032 1HG LYS 139 1HG LYS 139 -2.106 -30.350 0.449 1033 2HG LYS 139 2HG LYS 139 -1.321 -28.778 0.363 1034 1HD LYS 139 1HD LYS 139 -1.542 -28.668 -1.984 1035 2HD LYS 139 2HD LYS 139 -2.815 -29.889 -2.012 1036 1HE LYS 139 1HE LYS 139 -1.021 -31.506 -1.096 1037 2HE LYS 139 2HE LYS 139 0.149 -30.276 -1.574 1038 1HZ LYS 139 1HZ LYS 139 -0.671 -30.382 -3.824 1039 2HZ LYS 139 2HZ LYS 139 -1.862 -31.510 -3.381 1040 3HZ LYS 139 3HZ LYS 139 -0.219 -31.936 -3.314 1041 H ASP 140 H ASP 140 -3.854 -25.740 1.593 1042 HA ASP 140 HA ASP 140 -6.798 -25.630 1.218 1043 1HB ASP 140 1HB ASP 140 -6.979 -24.978 3.461 1044 2HB ASP 140 2HB ASP 140 -5.346 -24.320 3.506 1045 H SER 141 H SER 141 -3.957 -23.669 0.747 1046 HA SER 141 HA SER 141 -5.516 -21.160 0.699 1047 1HB SER 141 1HB SER 141 -3.322 -21.012 1.692 1048 2HB SER 141 2HB SER 141 -3.291 -20.135 0.167 1049 HG SER 141 HG SER 141 -1.492 -21.536 0.410 1050 H ASP 142 H ASP 142 -4.835 -23.623 -1.553 1051 HA ASP 142 HA ASP 142 -4.456 -21.889 -3.863 1052 1HB ASP 142 1HB ASP 142 -3.515 -24.018 -4.166 1053 2HB ASP 142 2HB ASP 142 -4.988 -24.083 -5.115 1054 H LYS 143 H LYS 143 -6.421 -20.528 -3.261 1055 HA LYS 143 HA LYS 143 -9.084 -21.589 -3.577 1056 1HB LYS 143 1HB LYS 143 -9.650 -19.105 -3.947 1057 2HB LYS 143 2HB LYS 143 -7.934 -18.794 -3.680 1058 1HG LYS 143 1HG LYS 143 -9.093 -20.589 -1.673 1059 2HG LYS 143 2HG LYS 143 -9.869 -19.004 -1.696 1060 1HD LYS 143 1HD LYS 143 -7.426 -18.082 -1.746 1061 2HD LYS 143 2HD LYS 143 -6.981 -19.691 -1.181 1062 1HE LYS 143 1HE LYS 143 -7.372 -18.790 0.880 1063 2HE LYS 143 2HE LYS 143 -9.055 -19.142 0.493 1064 1HZ LYS 143 1HZ LYS 143 -9.278 -16.907 -0.403 1065 2HZ LYS 143 2HZ LYS 143 -7.658 -16.570 -0.019 1066 3HZ LYS 143 3HZ LYS 143 -8.785 -16.858 1.219 1067 H ASN 144 H ASN 144 -6.674 -20.414 -5.861 1068 HA ASN 144 HA ASN 144 -8.678 -20.619 -8.067 1069 1HB ASN 144 1HB ASN 144 -6.710 -19.506 -9.371 1070 2HB ASN 144 2HB ASN 144 -6.065 -19.147 -7.769 1071 1HD2 ASN 144 1HD2 ASN 144 -8.074 -17.899 -10.181 1072 2HD2 ASN 144 2HD2 ASN 144 -8.973 -16.817 -9.232 1073 H ASN 145 H ASN 145 -6.905 -22.751 -6.559 1074 HA ASN 145 HA ASN 145 -5.810 -24.722 -7.112 1075 1HB ASN 145 1HB ASN 145 -6.759 -24.459 -9.947 1076 2HB ASN 145 2HB ASN 145 -7.950 -24.664 -8.663 1077 1HD2 ASN 145 1HD2 ASN 145 -5.946 -26.397 -10.777 1078 2HD2 ASN 145 2HD2 ASN 145 -5.922 -27.877 -9.945 1079 H ASP 146 H ASP 146 -4.089 -22.603 -7.133 1080 HA ASP 146 HA ASP 146 -2.420 -23.055 -9.578 1081 1HB ASP 146 1HB ASP 146 -1.961 -20.658 -7.858 1082 2HB ASP 146 2HB ASP 146 -3.401 -20.659 -8.877 1083 H GLY 147 H GLY 147 -2.309 -22.481 -6.047 1084 1HA GLY 147 1HA GLY 147 0.150 -24.152 -5.945 1085 2HA GLY 147 2HA GLY 147 -0.902 -23.799 -4.576 1086 NH1 ARG 148 NH1 ARG 148 1.934 -23.127 -10.533 1087 NH2 ARG 148 NH2 ARG 148 2.910 -21.189 -11.190 1088 H ARG 148 H ARG 148 -0.221 -21.049 -6.534 1089 HA ARG 148 HA ARG 148 2.056 -20.243 -4.789 1090 1HB ARG 148 1HB ARG 148 2.271 -18.395 -6.552 1091 2HB ARG 148 2HB ARG 148 1.083 -19.295 -7.493 1092 1HG ARG 148 1HG ARG 148 3.563 -20.628 -6.412 1093 2HG ARG 148 2HG ARG 148 3.584 -19.769 -7.951 1094 1HD ARG 148 1HD ARG 148 1.362 -21.273 -8.298 1095 2HD ARG 148 2HD ARG 148 2.270 -22.335 -7.226 1096 HE ARG 148 HE ARG 148 4.160 -22.120 -8.936 1097 1HH1 ARG 148 1HH1 ARG 148 1.534 -23.238 -11.444 1098 2HH1 ARG 148 2HH1 ARG 148 1.761 -23.814 -9.826 1099 1HH2 ARG 148 1HH2 ARG 148 3.481 -20.394 -10.985 1100 2HH2 ARG 148 2HH2 ARG 148 2.512 -21.295 -12.101 1101 H ILE 149 H ILE 149 2.046 -17.783 -4.347 1102 HA ILE 149 HA ILE 149 -0.712 -16.986 -3.488 1103 HB ILE 149 HB ILE 149 1.983 -16.143 -2.367 1104 1HG1 ILE 149 1HG1 ILE 149 0.991 -18.532 -1.933 1105 2HG1 ILE 149 2HG1 ILE 149 -0.159 -17.678 -0.902 1106 1HG2 ILE 149 1HG2 ILE 149 0.739 -14.315 -1.777 1107 2HG2 ILE 149 2HG2 ILE 149 0.133 -15.396 -0.523 1108 3HG2 ILE 149 3HG2 ILE 149 -0.794 -15.156 -2.004 1109 1HD1 ILE 149 1HD1 ILE 149 1.827 -18.461 0.371 1110 2HD1 ILE 149 2HD1 ILE 149 1.695 -16.703 0.380 1111 3HD1 ILE 149 3HD1 ILE 149 2.863 -17.493 -0.678 1112 H ASP 150 H ASP 150 -1.565 -15.220 -4.490 1113 HA ASP 150 HA ASP 150 0.285 -13.542 -6.131 1114 1HB ASP 150 1HB ASP 150 -1.274 -14.330 -7.656 1115 2HB ASP 150 2HB ASP 150 -2.025 -12.814 -7.174 1116 H PHE 151 H PHE 151 -0.614 -11.222 -6.426 1117 HA PHE 151 HA PHE 151 -0.531 -9.869 -3.922 1118 1HB PHE 151 1HB PHE 151 -1.786 -8.712 -6.415 1119 2HB PHE 151 2HB PHE 151 -0.045 -8.959 -6.287 1120 HD1 PHE 151 HD1 PHE 151 -2.577 -6.611 -5.834 1121 HD2 PHE 151 HD2 PHE 151 0.948 -8.119 -3.897 1122 HE1 PHE 151 HE1 PHE 151 -2.369 -4.492 -4.563 1123 HE2 PHE 151 HE2 PHE 151 1.153 -6.002 -2.625 1124 HZ PHE 151 HZ PHE 151 -0.504 -4.189 -2.963 1125 H ASP 152 H ASP 152 -3.238 -11.113 -5.792 1126 HA ASP 152 HA ASP 152 -5.345 -9.664 -4.469 1127 1HB ASP 152 1HB ASP 152 -6.833 -11.348 -5.386 1128 2HB ASP 152 2HB ASP 152 -5.498 -12.463 -5.633 1129 H GLU 153 H GLU 153 -4.270 -13.045 -4.020 1130 HA GLU 153 HA GLU 153 -5.709 -13.468 -1.578 1131 1HB GLU 153 1HB GLU 153 -3.232 -15.024 -1.853 1132 2HB GLU 153 2HB GLU 153 -4.232 -15.048 -3.305 1133 1HG GLU 153 1HG GLU 153 -6.186 -15.713 -1.923 1134 2HG GLU 153 2HG GLU 153 -5.152 -15.735 -0.494 1135 H PHE 154 H PHE 154 -2.598 -11.972 -2.232 1136 HA PHE 154 HA PHE 154 -1.328 -12.234 0.283 1137 1HB PHE 154 1HB PHE 154 -1.267 -9.823 -1.564 1138 2HB PHE 154 2HB PHE 154 -0.262 -11.259 -1.749 1139 HD1 PHE 154 HD1 PHE 154 1.346 -11.885 0.109 1140 HD2 PHE 154 HD2 PHE 154 -0.691 -8.104 -0.016 1141 HE1 PHE 154 HE1 PHE 154 2.982 -10.951 1.719 1142 HE2 PHE 154 HE2 PHE 154 0.947 -7.176 1.593 1143 HZ PHE 154 HZ PHE 154 2.783 -8.596 2.461 1144 H LEU 155 H LEU 155 -3.859 -9.976 -0.777 1145 HA LEU 155 HA LEU 155 -3.823 -8.205 1.450 1146 1HB LEU 155 1HB LEU 155 -6.172 -7.714 0.862 1147 2HB LEU 155 2HB LEU 155 -6.217 -9.143 -0.168 1148 HG LEU 155 HG LEU 155 -4.125 -8.035 -1.316 1149 1HD1 LEU 155 1HD1 LEU 155 -5.610 -6.926 -2.900 1150 2HD1 LEU 155 2HD1 LEU 155 -6.895 -6.858 -1.694 1151 3HD1 LEU 155 3HD1 LEU 155 -6.374 -8.414 -2.340 1152 1HD2 LEU 155 1HD2 LEU 155 -4.018 -5.650 -1.176 1153 2HD2 LEU 155 2HD2 LEU 155 -4.092 -6.217 0.492 1154 3HD2 LEU 155 3HD2 LEU 155 -5.536 -5.562 -0.281 1155 H LYS 156 H LYS 156 -5.965 -11.039 0.929 1156 HA LYS 156 HA LYS 156 -6.921 -11.061 3.659 1157 1HB LYS 156 1HB LYS 156 -7.371 -13.608 2.774 1158 2HB LYS 156 2HB LYS 156 -7.223 -12.743 1.245 1159 1HG LYS 156 1HG LYS 156 -8.961 -11.180 1.900 1160 2HG LYS 156 2HG LYS 156 -9.021 -11.863 3.525 1161 1HD LYS 156 1HD LYS 156 -9.796 -14.008 2.612 1162 2HD LYS 156 2HD LYS 156 -9.675 -13.371 0.972 1163 1HE LYS 156 1HE LYS 156 -11.889 -12.891 1.299 1164 2HE LYS 156 2HE LYS 156 -11.240 -11.464 2.106 1165 1HZ LYS 156 1HZ LYS 156 -11.322 -12.662 4.207 1166 2HZ LYS 156 2HZ LYS 156 -11.959 -14.029 3.424 1167 3HZ LYS 156 3HZ LYS 156 -12.859 -12.589 3.493 1168 H MET 157 H MET 157 -4.073 -12.344 2.107 1169 HA MET 157 HA MET 157 -3.464 -14.490 3.890 1170 1HB MET 157 1HB MET 157 -1.168 -12.927 2.880 1171 2HB MET 157 2HB MET 157 -2.303 -13.445 1.637 1172 1HG MET 157 1HG MET 157 -1.470 -15.527 1.730 1173 2HG MET 157 2HG MET 157 -1.893 -15.632 3.439 1174 1HE MET 157 1HE MET 157 0.179 -14.076 0.924 1175 2HE MET 157 2HE MET 157 1.827 -14.605 1.251 1176 3HE MET 157 3HE MET 157 1.246 -13.088 1.932 1177 H MET 158 H MET 158 -2.519 -11.036 3.986 1178 HA MET 158 HA MET 158 -1.022 -11.261 6.443 1179 1HB MET 158 1HB MET 158 -2.368 -8.757 5.406 1180 2HB MET 158 2HB MET 158 -0.877 -9.388 4.708 1181 1HG MET 158 1HG MET 158 0.031 -9.380 7.130 1182 2HG MET 158 2HG MET 158 -1.349 -8.347 7.504 1183 1HE MET 158 1HE MET 158 2.536 -6.850 6.504 1184 2HE MET 158 2HE MET 158 2.157 -8.571 6.510 1185 3HE MET 158 3HE MET 158 1.718 -7.574 7.895 1186 H GLU 159 H GLU 159 -4.392 -10.312 5.726 1187 HA GLU 159 HA GLU 159 -5.069 -9.666 8.458 1188 1HB GLU 159 1HB GLU 159 -7.475 -10.194 7.460 1189 2HB GLU 159 2HB GLU 159 -6.599 -10.161 5.930 1190 1HG GLU 159 1HG GLU 159 -6.152 -7.943 7.905 1191 2HG GLU 159 2HG GLU 159 -7.628 -7.937 6.940 1192 H GLY 160 H GLY 160 -5.164 -12.661 6.565 1193 1HA GLY 160 1HA GLY 160 -5.565 -14.876 7.211 1194 2HA GLY 160 2HA GLY 160 -6.775 -14.226 8.315 1195 H VAL 161 H VAL 161 -3.224 -13.743 8.252 1196 HA VAL 161 HA VAL 161 -2.996 -15.252 10.796 1197 HB VAL 161 HB VAL 161 -0.755 -13.979 9.200 1198 1HG1 VAL 161 1HG1 VAL 161 0.436 -16.001 10.304 1199 2HG1 VAL 161 2HG1 VAL 161 -0.967 -16.064 11.370 1200 3HG1 VAL 161 3HG1 VAL 161 0.045 -14.620 11.328 1201 1HG2 VAL 161 1HG2 VAL 161 -1.831 -15.440 7.646 1202 2HG2 VAL 161 2HG2 VAL 161 -2.126 -16.659 8.886 1203 3HG2 VAL 161 3HG2 VAL 161 -0.485 -16.368 8.307 1204 H GLN 162 H GLN 162 -4.418 -13.166 11.449 1205 HA GLN 162 HA GLN 162 -2.666 -10.894 12.202 1206 1HB GLN 162 1HB GLN 162 -5.621 -11.178 12.794 1207 2HB GLN 162 2HB GLN 162 -5.027 -10.605 11.236 1208 1HG GLN 162 1HG GLN 162 -3.775 -8.802 12.402 1209 2HG GLN 162 2HG GLN 162 -4.428 -9.362 13.942 1210 1HE2 GLN 162 1HE2 GLN 162 -5.058 -7.340 11.212 1211 2HE2 GLN 162 2HE2 GLN 162 -6.673 -6.972 11.582 Start of MODEL 20 Raw file had 1211 H/Q atoms Start of MODEL 20 1 1H ALA 1 1H ALA 1 -23.253 -15.296 -26.895 2 2H ALA 1 2H ALA 1 -23.939 -14.370 -28.143 3 3H ALA 1 3H ALA 1 -23.405 -13.615 -26.717 4 HA ALA 1 HA ALA 1 -21.679 -14.995 -28.703 5 1HB ALA 1 1HB ALA 1 -21.019 -12.876 -29.465 6 2HB ALA 1 2HB ALA 1 -21.617 -12.064 -28.019 7 3HB ALA 1 3HB ALA 1 -22.753 -12.671 -29.222 8 H SER 2 H SER 2 -19.530 -15.238 -28.062 9 HA SER 2 HA SER 2 -19.001 -14.879 -25.168 10 1HB SER 2 1HB SER 2 -16.868 -16.156 -25.771 11 2HB SER 2 2HB SER 2 -17.558 -16.353 -27.380 12 HG SER 2 HG SER 2 -18.089 -18.109 -26.043 13 H MET 3 H MET 3 -18.412 -12.779 -24.761 14 HA MET 3 HA MET 3 -15.929 -11.818 -26.071 15 1HB MET 3 1HB MET 3 -17.613 -10.726 -27.405 16 2HB MET 3 2HB MET 3 -16.952 -9.517 -26.309 17 1HG MET 3 1HG MET 3 -19.198 -10.916 -25.094 18 2HG MET 3 2HG MET 3 -19.658 -10.182 -26.630 19 1HE MET 3 1HE MET 3 -18.402 -9.537 -22.935 20 2HE MET 3 2HE MET 3 -20.083 -9.849 -23.355 21 3HE MET 3 3HE MET 3 -19.619 -8.269 -22.732 22 H THR 4 H THR 4 -16.599 -12.866 -23.380 23 HA THR 4 HA THR 4 -16.532 -10.530 -21.601 24 HB THR 4 HB THR 4 -16.228 -12.341 -19.814 25 HG1 THR 4 HG1 THR 4 -16.217 -14.380 -20.429 26 1HG2 THR 4 1HG2 THR 4 -18.548 -12.916 -19.848 27 2HG2 THR 4 2HG2 THR 4 -18.636 -12.728 -21.599 28 3HG2 THR 4 3HG2 THR 4 -18.424 -11.313 -20.569 29 H ASP 5 H ASP 5 -14.423 -13.037 -20.528 30 HA ASP 5 HA ASP 5 -12.122 -13.129 -20.194 31 1HB ASP 5 1HB ASP 5 -10.651 -12.218 -21.967 32 2HB ASP 5 2HB ASP 5 -12.033 -11.402 -22.694 33 H GLN 6 H GLN 6 -12.146 -9.820 -21.554 34 HA GLN 6 HA GLN 6 -10.696 -8.738 -19.318 35 1HB GLN 6 1HB GLN 6 -11.217 -6.537 -20.307 36 2HB GLN 6 2HB GLN 6 -12.405 -7.288 -21.371 37 1HG GLN 6 1HG GLN 6 -9.778 -8.590 -21.502 38 2HG GLN 6 2HG GLN 6 -9.721 -6.889 -21.968 39 1HE2 GLN 6 1HE2 GLN 6 -11.336 -6.214 -23.710 40 2HE2 GLN 6 2HE2 GLN 6 -11.815 -7.368 -24.858 41 H GLN 7 H GLN 7 -14.155 -8.801 -20.169 42 HA GLN 7 HA GLN 7 -15.010 -7.208 -17.911 43 1HB GLN 7 1HB GLN 7 -17.037 -9.071 -18.812 44 2HB GLN 7 2HB GLN 7 -16.224 -8.339 -20.195 45 1HG GLN 7 1HG GLN 7 -16.928 -6.488 -17.981 46 2HG GLN 7 2HG GLN 7 -18.288 -7.159 -18.881 47 1HE2 GLN 7 1HE2 GLN 7 -17.764 -7.121 -21.455 48 2HE2 GLN 7 2HE2 GLN 7 -17.145 -5.645 -22.016 49 H ALA 8 H ALA 8 -14.577 -10.694 -18.459 50 HA ALA 8 HA ALA 8 -15.800 -11.528 -15.976 51 1HB ALA 8 1HB ALA 8 -14.827 -13.697 -16.442 52 2HB ALA 8 2HB ALA 8 -13.683 -12.988 -17.581 53 3HB ALA 8 3HB ALA 8 -15.403 -13.018 -17.964 54 H GLU 9 H GLU 9 -12.827 -9.950 -16.612 55 HA GLU 9 HA GLU 9 -11.641 -10.958 -14.063 56 1HB GLU 9 1HB GLU 9 -9.544 -9.811 -14.942 57 2HB GLU 9 2HB GLU 9 -10.410 -9.564 -16.458 58 1HG GLU 9 1HG GLU 9 -10.840 -12.086 -16.460 59 2HG GLU 9 2HG GLU 9 -9.664 -12.191 -15.149 60 H ALA 10 H ALA 10 -12.304 -7.984 -15.915 61 HA ALA 10 HA ALA 10 -11.599 -6.145 -13.832 62 1HB ALA 10 1HB ALA 10 -13.004 -4.530 -15.126 63 2HB ALA 10 2HB ALA 10 -13.551 -5.866 -16.140 64 3HB ALA 10 3HB ALA 10 -11.852 -5.394 -16.143 65 NH1 ARG 11 NH1 ARG 11 -21.430 -11.512 -13.621 66 NH2 ARG 11 NH2 ARG 11 -21.503 -9.375 -14.377 67 H ARG 11 H ARG 11 -14.464 -8.085 -14.445 68 HA ARG 11 HA ARG 11 -16.260 -6.620 -12.718 69 1HB ARG 11 1HB ARG 11 -16.234 -9.379 -13.935 70 2HB ARG 11 2HB ARG 11 -17.344 -8.048 -14.248 71 1HG ARG 11 1HG ARG 11 -18.366 -8.328 -12.056 72 2HG ARG 11 2HG ARG 11 -17.173 -9.555 -11.631 73 1HD ARG 11 1HD ARG 11 -18.334 -11.171 -12.697 74 2HD ARG 11 2HD ARG 11 -18.501 -10.181 -14.146 75 HE ARG 11 HE ARG 11 -20.289 -9.533 -11.876 76 1HH1 ARG 11 1HH1 ARG 11 -22.149 -11.766 -14.267 77 2HH1 ARG 11 2HH1 ARG 11 -21.041 -12.200 -13.009 78 1HH2 ARG 11 1HH2 ARG 11 -21.170 -8.432 -14.344 79 2HH2 ARG 11 2HH2 ARG 11 -22.224 -9.626 -15.025 80 H ALA 12 H ALA 12 -14.157 -9.471 -12.290 81 HA ALA 12 HA ALA 12 -14.816 -9.962 -9.542 82 1HB ALA 12 1HB ALA 12 -13.641 -11.618 -10.938 83 2HB ALA 12 2HB ALA 12 -12.700 -11.247 -9.495 84 3HB ALA 12 3HB ALA 12 -12.245 -10.546 -11.049 85 H PHE 13 H PHE 13 -12.899 -7.490 -11.057 86 HA PHE 13 HA PHE 13 -11.110 -6.892 -8.888 87 1HB PHE 13 1HB PHE 13 -12.155 -4.705 -10.647 88 2HB PHE 13 2HB PHE 13 -11.242 -6.012 -11.402 89 HD1 PHE 13 HD1 PHE 13 -11.011 -2.921 -9.650 90 HD2 PHE 13 HD2 PHE 13 -8.974 -6.654 -10.255 91 HE1 PHE 13 HE1 PHE 13 -8.893 -1.894 -8.870 92 HE2 PHE 13 HE2 PHE 13 -6.858 -5.626 -9.473 93 HZ PHE 13 HZ PHE 13 -6.817 -3.246 -8.782 94 H LEU 14 H LEU 14 -14.439 -5.902 -9.600 95 HA LEU 14 HA LEU 14 -14.492 -4.380 -7.024 96 1HB LEU 14 1HB LEU 14 -15.164 -2.905 -8.766 97 2HB LEU 14 2HB LEU 14 -16.672 -3.415 -8.008 98 HG LEU 14 HG LEU 14 -16.254 -5.366 -9.940 99 1HD1 LEU 14 1HD1 LEU 14 -18.412 -4.454 -9.593 100 2HD1 LEU 14 2HD1 LEU 14 -17.989 -3.988 -11.239 101 3HD1 LEU 14 3HD1 LEU 14 -17.861 -2.814 -9.930 102 1HD2 LEU 14 1HD2 LEU 14 -14.436 -4.208 -11.001 103 2HD2 LEU 14 2HD2 LEU 14 -15.299 -2.673 -10.947 104 3HD2 LEU 14 3HD2 LEU 14 -15.852 -3.959 -12.021 105 H SER 15 H SER 15 -15.603 -5.308 -5.378 106 HA SER 15 HA SER 15 -17.067 -7.810 -5.857 107 1HB SER 15 1HB SER 15 -17.313 -7.776 -3.344 108 2HB SER 15 2HB SER 15 -16.416 -6.260 -3.339 109 HG SER 15 HG SER 15 -14.799 -7.624 -3.193 110 H GLU 16 H GLU 16 -17.874 -4.648 -4.374 111 HA GLU 16 HA GLU 16 -20.468 -4.489 -5.567 112 1HB GLU 16 1HB GLU 16 -21.424 -6.149 -4.268 113 2HB GLU 16 2HB GLU 16 -21.680 -4.761 -3.216 114 1HG GLU 16 1HG GLU 16 -19.112 -5.666 -2.551 115 2HG GLU 16 2HG GLU 16 -20.053 -7.140 -2.768 116 H GLU 17 H GLU 17 -19.025 -3.731 -2.353 117 HA GLU 17 HA GLU 17 -20.202 -1.160 -2.089 118 1HB GLU 17 1HB GLU 17 -17.439 -1.569 -1.035 119 2HB GLU 17 2HB GLU 17 -18.683 -2.678 -0.456 120 1HG GLU 17 1HG GLU 17 -20.010 -0.886 0.404 121 2HG GLU 17 2HG GLU 17 -19.057 0.325 -0.455 122 H MET 18 H MET 18 -17.219 -2.254 -3.668 123 HA MET 18 HA MET 18 -16.105 0.294 -4.308 124 1HB MET 18 1HB MET 18 -15.767 -1.649 -6.441 125 2HB MET 18 2HB MET 18 -15.518 -2.398 -4.871 126 1HG MET 18 1HG MET 18 -14.241 0.261 -5.360 127 2HG MET 18 2HG MET 18 -13.530 -1.152 -6.140 128 1HE MET 18 1HE MET 18 -12.029 -3.267 -3.523 129 2HE MET 18 2HE MET 18 -11.857 -2.555 -5.125 130 3HE MET 18 3HE MET 18 -13.308 -3.472 -4.728 131 H ILE 19 H ILE 19 -18.432 -1.782 -6.008 132 HA ILE 19 HA ILE 19 -18.785 -0.345 -8.401 133 HB ILE 19 HB ILE 19 -20.890 -1.747 -6.724 134 1HG1 ILE 19 1HG1 ILE 19 -18.820 -2.993 -7.702 135 2HG1 ILE 19 2HG1 ILE 19 -19.598 -2.731 -9.263 136 1HG2 ILE 19 1HG2 ILE 19 -22.065 -0.291 -8.222 137 2HG2 ILE 19 2HG2 ILE 19 -22.087 -1.887 -8.973 138 3HG2 ILE 19 3HG2 ILE 19 -20.961 -0.657 -9.547 139 1HD1 ILE 19 1HD1 ILE 19 -20.095 -4.899 -7.735 140 2HD1 ILE 19 2HD1 ILE 19 -21.303 -4.196 -8.808 141 3HD1 ILE 19 3HD1 ILE 19 -21.320 -3.806 -7.089 142 H ALA 20 H ALA 20 -20.349 0.282 -5.244 143 HA ALA 20 HA ALA 20 -22.062 2.388 -6.042 144 1HB ALA 20 1HB ALA 20 -20.581 2.307 -3.407 145 2HB ALA 20 2HB ALA 20 -21.952 1.256 -3.767 146 3HB ALA 20 3HB ALA 20 -22.166 3.007 -3.735 147 H GLU 21 H GLU 21 -18.630 2.530 -5.035 148 HA GLU 21 HA GLU 21 -18.415 5.395 -5.199 149 1HB GLU 21 1HB GLU 21 -16.185 3.391 -5.659 150 2HB GLU 21 2HB GLU 21 -16.765 3.838 -4.056 151 1HG GLU 21 1HG GLU 21 -15.857 5.911 -6.064 152 2HG GLU 21 2HG GLU 21 -14.729 5.134 -4.954 153 H PHE 22 H PHE 22 -17.887 2.783 -7.566 154 HA PHE 22 HA PHE 22 -16.945 4.528 -9.674 155 1HB PHE 22 1HB PHE 22 -17.260 2.646 -11.155 156 2HB PHE 22 2HB PHE 22 -18.362 1.870 -10.027 157 HD1 PHE 22 HD1 PHE 22 -15.057 3.537 -9.426 158 HD2 PHE 22 HD2 PHE 22 -17.301 -0.124 -9.328 159 HE1 PHE 22 HE1 PHE 22 -13.135 2.387 -8.371 160 HE2 PHE 22 HE2 PHE 22 -15.379 -1.266 -8.271 161 HZ PHE 22 HZ PHE 22 -13.297 -0.017 -7.793 162 H LYS 23 H LYS 23 -20.126 3.525 -8.522 163 HA LYS 23 HA LYS 23 -21.674 4.342 -10.784 164 1HB LYS 23 1HB LYS 23 -22.609 4.529 -7.919 165 2HB LYS 23 2HB LYS 23 -22.410 2.975 -8.731 166 1HG LYS 23 1HG LYS 23 -23.954 3.729 -10.519 167 2HG LYS 23 2HG LYS 23 -24.168 5.265 -9.678 168 1HD LYS 23 1HD LYS 23 -24.654 2.726 -8.161 169 2HD LYS 23 2HD LYS 23 -25.876 3.260 -9.314 170 1HE LYS 23 1HE LYS 23 -26.633 4.481 -7.535 171 2HE LYS 23 2HE LYS 23 -25.365 5.603 -8.028 172 1HZ LYS 23 1HZ LYS 23 -25.405 4.897 -5.610 173 2HZ LYS 23 2HZ LYS 23 -23.913 4.786 -6.412 174 3HZ LYS 23 3HZ LYS 23 -24.839 3.389 -6.136 175 H ALA 24 H ALA 24 -20.211 6.189 -8.154 176 HA ALA 24 HA ALA 24 -21.742 8.561 -8.253 177 1HB ALA 24 1HB ALA 24 -18.737 8.368 -7.899 178 2HB ALA 24 2HB ALA 24 -19.915 8.111 -6.612 179 3HB ALA 24 3HB ALA 24 -19.769 9.696 -7.369 180 H ALA 25 H ALA 25 -18.837 7.753 -10.173 181 HA ALA 25 HA ALA 25 -19.000 10.147 -11.795 182 1HB ALA 25 1HB ALA 25 -16.937 8.674 -11.383 183 2HB ALA 25 2HB ALA 25 -17.189 9.236 -13.035 184 3HB ALA 25 3HB ALA 25 -17.615 7.583 -12.592 185 H PHE 26 H PHE 26 -20.462 6.960 -12.024 186 HA PHE 26 HA PHE 26 -21.077 7.063 -14.837 187 1HB PHE 26 1HB PHE 26 -22.731 5.544 -12.830 188 2HB PHE 26 2HB PHE 26 -21.095 5.024 -13.233 189 HD1 PHE 26 HD1 PHE 26 -20.521 4.689 -15.726 190 HD2 PHE 26 HD2 PHE 26 -24.544 5.022 -14.252 191 HE1 PHE 26 HE1 PHE 26 -21.371 3.638 -17.804 192 HE2 PHE 26 HE2 PHE 26 -25.392 3.970 -16.332 193 HZ PHE 26 HZ PHE 26 -23.803 3.280 -18.105 194 H ASP 27 H ASP 27 -23.045 7.926 -11.941 195 HA ASP 27 HA ASP 27 -25.405 8.551 -13.421 196 1HB ASP 27 1HB ASP 27 -25.578 8.310 -11.030 197 2HB ASP 27 2HB ASP 27 -26.059 9.950 -11.447 198 H MET 28 H MET 28 -22.422 10.331 -13.120 199 HA MET 28 HA MET 28 -23.411 12.961 -13.673 200 1HB MET 28 1HB MET 28 -20.763 11.836 -14.617 201 2HB MET 28 2HB MET 28 -21.054 12.325 -12.952 202 1HG MET 28 1HG MET 28 -21.337 14.591 -13.540 203 2HG MET 28 2HG MET 28 -21.645 14.201 -15.233 204 1HE MET 28 1HE MET 28 -18.776 14.182 -12.392 205 2HE MET 28 2HE MET 28 -19.561 15.674 -12.900 206 3HE MET 28 3HE MET 28 -17.862 15.407 -13.283 207 H PHE 29 H PHE 29 -21.917 10.607 -15.926 208 HA PHE 29 HA PHE 29 -22.739 11.999 -18.297 209 1HB PHE 29 1HB PHE 29 -22.500 9.452 -19.169 210 2HB PHE 29 2HB PHE 29 -21.628 9.319 -17.644 211 HD1 PHE 29 HD1 PHE 29 -21.932 11.836 -20.427 212 HD2 PHE 29 HD2 PHE 29 -19.337 9.659 -17.785 213 HE1 PHE 29 HE1 PHE 29 -19.963 12.949 -21.442 214 HE2 PHE 29 HE2 PHE 29 -17.369 10.771 -18.803 215 HZ PHE 29 HZ PHE 29 -17.683 12.416 -20.631 216 H ASP 30 H ASP 30 -24.338 9.822 -16.131 217 HA ASP 30 HA ASP 30 -26.528 9.183 -17.993 218 1HB ASP 30 1HB ASP 30 -26.744 8.708 -15.055 219 2HB ASP 30 2HB ASP 30 -25.521 7.799 -15.941 220 H ALA 31 H ALA 31 -26.205 11.987 -17.623 221 HA ALA 31 HA ALA 31 -27.862 13.159 -15.629 222 1HB ALA 31 1HB ALA 31 -27.033 14.084 -18.382 223 2HB ALA 31 2HB ALA 31 -26.398 14.607 -16.823 224 3HB ALA 31 3HB ALA 31 -28.025 15.079 -17.316 225 H ASP 32 H ASP 32 -28.666 11.879 -18.850 226 HA ASP 32 HA ASP 32 -31.439 12.816 -18.683 227 1HB ASP 32 1HB ASP 32 -31.582 11.076 -20.689 228 2HB ASP 32 2HB ASP 32 -29.824 11.193 -20.624 229 H GLY 33 H GLY 33 -29.660 9.797 -18.089 230 1HA GLY 33 1HA GLY 33 -32.207 8.609 -17.062 231 2HA GLY 33 2HA GLY 33 -30.682 8.454 -16.195 232 H GLY 34 H GLY 34 -31.518 6.096 -16.523 233 1HA GLY 34 1HA GLY 34 -30.508 5.025 -19.129 234 2HA GLY 34 2HA GLY 34 -31.737 4.230 -18.146 235 H GLY 35 H GLY 35 -29.721 2.618 -18.772 236 1HA GLY 35 1HA GLY 35 -28.623 1.107 -17.102 237 2HA GLY 35 2HA GLY 35 -27.988 2.556 -16.329 238 H ASP 36 H ASP 36 -27.540 3.665 -19.199 239 HA ASP 36 HA ASP 36 -24.794 2.717 -19.424 240 1HB ASP 36 1HB ASP 36 -25.243 1.029 -20.869 241 2HB ASP 36 2HB ASP 36 -25.473 2.310 -22.051 242 H ILE 37 H ILE 37 -23.594 3.953 -21.086 243 HA ILE 37 HA ILE 37 -24.848 6.634 -21.492 244 HB ILE 37 HB ILE 37 -21.922 5.996 -21.867 245 1HG1 ILE 37 1HG1 ILE 37 -21.577 6.689 -19.492 246 2HG1 ILE 37 2HG1 ILE 37 -22.478 5.181 -19.621 247 1HG2 ILE 37 1HG2 ILE 37 -22.785 8.172 -22.651 248 2HG2 ILE 37 2HG2 ILE 37 -21.678 8.378 -21.294 249 3HG2 ILE 37 3HG2 ILE 37 -23.419 8.502 -21.039 250 1HD1 ILE 37 1HD1 ILE 37 -23.317 7.120 -18.016 251 2HD1 ILE 37 2HD1 ILE 37 -24.474 6.159 -18.936 252 3HD1 ILE 37 3HD1 ILE 37 -24.006 7.760 -19.507 253 H SER 38 H SER 38 -24.924 7.535 -23.590 254 HA SER 38 HA SER 38 -24.035 5.730 -25.810 255 1HB SER 38 1HB SER 38 -26.091 6.723 -27.044 256 2HB SER 38 2HB SER 38 -26.655 7.185 -25.441 257 HG SER 38 HG SER 38 -27.460 5.190 -25.731 258 H THR 39 H THR 39 -24.191 7.151 -27.987 259 HA THR 39 HA THR 39 -22.268 9.283 -27.689 260 HB THR 39 HB THR 39 -24.000 8.941 -30.136 261 HG1 THR 39 HG1 THR 39 -23.105 7.085 -30.553 262 1HG2 THR 39 1HG2 THR 39 -21.977 9.634 -31.286 263 2HG2 THR 39 2HG2 THR 39 -21.053 9.548 -29.787 264 3HG2 THR 39 3HG2 THR 39 -22.303 10.776 -29.982 265 H LYS 40 H LYS 40 -25.799 9.221 -28.049 266 HA LYS 40 HA LYS 40 -26.089 12.077 -28.447 267 1HB LYS 40 1HB LYS 40 -28.421 11.736 -28.230 268 2HB LYS 40 2HB LYS 40 -28.211 10.326 -27.194 269 1HG LYS 40 1HG LYS 40 -27.547 8.957 -29.002 270 2HG LYS 40 2HG LYS 40 -27.214 10.342 -30.045 271 1HD LYS 40 1HD LYS 40 -29.706 10.887 -29.879 272 2HD LYS 40 2HD LYS 40 -29.910 9.295 -29.147 273 1HE LYS 40 1HE LYS 40 -28.349 8.780 -31.391 274 2HE LYS 40 2HE LYS 40 -29.476 10.015 -31.952 275 1HZ LYS 40 1HZ LYS 40 -30.421 7.838 -32.253 276 2HZ LYS 40 2HZ LYS 40 -31.299 8.666 -31.059 277 3HZ LYS 40 3HZ LYS 40 -30.189 7.458 -30.616 278 H GLU 41 H GLU 41 -26.438 9.957 -25.580 279 HA GLU 41 HA GLU 41 -26.959 12.078 -23.712 280 1HB GLU 41 1HB GLU 41 -25.556 9.479 -23.048 281 2HB GLU 41 2HB GLU 41 -27.291 9.566 -23.344 282 1HG GLU 41 1HG GLU 41 -27.465 11.292 -21.541 283 2HG GLU 41 2HG GLU 41 -25.748 11.076 -21.210 284 H LEU 42 H LEU 42 -23.994 10.826 -25.122 285 HA LEU 42 HA LEU 42 -22.090 11.843 -23.258 286 1HB LEU 42 1HB LEU 42 -21.125 12.105 -25.963 287 2HB LEU 42 2HB LEU 42 -22.058 10.620 -25.828 288 HG LEU 42 HG LEU 42 -19.664 10.269 -25.311 289 1HD1 LEU 42 1HD1 LEU 42 -18.928 12.314 -24.389 290 2HD1 LEU 42 2HD1 LEU 42 -18.925 11.205 -23.020 291 3HD1 LEU 42 3HD1 LEU 42 -20.242 12.357 -23.216 292 1HD2 LEU 42 1HD2 LEU 42 -21.139 8.726 -24.254 293 2HD2 LEU 42 2HD2 LEU 42 -21.675 9.929 -23.081 294 3HD2 LEU 42 3HD2 LEU 42 -20.044 9.267 -22.981 295 H GLY 43 H GLY 43 -22.993 13.277 -26.413 296 1HA GLY 43 1HA GLY 43 -23.213 15.515 -27.081 297 2HA GLY 43 2HA GLY 43 -21.790 15.790 -26.078 298 H THR 44 H THR 44 -25.022 14.735 -25.001 299 HA THR 44 HA THR 44 -26.012 17.256 -24.133 300 HB THR 44 HB THR 44 -26.514 14.582 -22.788 301 HG1 THR 44 HG1 THR 44 -27.203 14.121 -24.725 302 1HG2 THR 44 1HG2 THR 44 -28.706 15.612 -22.258 303 2HG2 THR 44 2HG2 THR 44 -28.170 17.113 -23.011 304 3HG2 THR 44 3HG2 THR 44 -27.370 16.522 -21.555 305 H VAL 45 H VAL 45 -24.114 14.810 -22.345 306 HA VAL 45 HA VAL 45 -23.986 16.344 -19.903 307 HB VAL 45 HB VAL 45 -22.167 14.125 -20.899 308 1HG1 VAL 45 1HG1 VAL 45 -21.076 15.272 -19.090 309 2HG1 VAL 45 2HG1 VAL 45 -21.799 13.818 -18.401 310 3HG1 VAL 45 3HG1 VAL 45 -22.578 15.384 -18.174 311 1HG2 VAL 45 1HG2 VAL 45 -23.745 12.630 -20.231 312 2HG2 VAL 45 2HG2 VAL 45 -24.868 13.984 -20.351 313 3HG2 VAL 45 3HG2 VAL 45 -24.152 13.568 -18.794 314 H MET 46 H MET 46 -21.834 16.105 -22.743 315 HA MET 46 HA MET 46 -19.670 17.635 -21.628 316 1HB MET 46 1HB MET 46 -18.911 17.932 -23.910 317 2HB MET 46 2HB MET 46 -20.512 17.547 -24.539 318 1HG MET 46 1HG MET 46 -20.244 15.297 -24.218 319 2HG MET 46 2HG MET 46 -19.252 15.508 -22.775 320 1HE MET 46 1HE MET 46 -16.739 13.587 -24.371 321 2HE MET 46 2HE MET 46 -17.894 13.926 -23.085 322 3HE MET 46 3HE MET 46 -16.375 14.814 -23.150 323 NH1 ARG 47 NH1 ARG 47 -26.642 18.683 -28.136 324 NH2 ARG 47 NH2 ARG 47 -27.459 20.099 -26.563 325 H ARG 47 H ARG 47 -22.567 18.555 -23.485 326 HA ARG 47 HA ARG 47 -22.009 21.348 -23.680 327 1HB ARG 47 1HB ARG 47 -24.686 21.354 -23.692 328 2HB ARG 47 2HB ARG 47 -24.431 19.623 -23.913 329 1HG ARG 47 1HG ARG 47 -22.576 20.865 -25.622 330 2HG ARG 47 2HG ARG 47 -24.062 21.792 -25.808 331 1HD ARG 47 1HD ARG 47 -24.660 18.963 -25.721 332 2HD ARG 47 2HD ARG 47 -23.459 19.290 -26.968 333 HE ARG 47 HE ARG 47 -25.134 21.086 -27.771 334 1HH1 ARG 47 1HH1 ARG 47 -27.532 18.229 -28.192 335 2HH1 ARG 47 2HH1 ARG 47 -25.885 18.369 -28.709 336 1HH2 ARG 47 1HH2 ARG 47 -27.325 20.867 -25.936 337 2HH2 ARG 47 2HH2 ARG 47 -28.350 19.648 -26.616 338 H MET 48 H MET 48 -23.198 19.415 -20.983 339 HA MET 48 HA MET 48 -24.455 21.487 -19.464 340 1HB MET 48 1HB MET 48 -23.769 20.030 -17.470 341 2HB MET 48 2HB MET 48 -23.005 18.957 -18.642 342 1HG MET 48 1HG MET 48 -25.173 18.713 -19.813 343 2HG MET 48 2HG MET 48 -25.928 19.768 -18.621 344 1HE MET 48 1HE MET 48 -26.606 19.381 -16.599 345 2HE MET 48 2HE MET 48 -25.192 18.896 -15.666 346 3HE MET 48 3HE MET 48 -26.635 17.886 -15.656 347 H LEU 49 H LEU 49 -21.063 20.421 -19.686 348 HA LEU 49 HA LEU 49 -20.099 22.360 -17.741 349 1HB LEU 49 1HB LEU 49 -18.424 21.077 -19.906 350 2HB LEU 49 2HB LEU 49 -18.961 20.156 -18.502 351 HG LEU 49 HG LEU 49 -17.994 22.426 -17.310 352 1HD1 LEU 49 1HD1 LEU 49 -16.115 21.052 -16.641 353 2HD1 LEU 49 2HD1 LEU 49 -16.312 20.015 -18.054 354 3HD1 LEU 49 3HD1 LEU 49 -17.530 20.008 -16.779 355 1HD2 LEU 49 1HD2 LEU 49 -16.447 21.912 -19.857 356 2HD2 LEU 49 2HD2 LEU 49 -15.689 22.663 -18.453 357 3HD2 LEU 49 3HD2 LEU 49 -17.058 23.448 -19.240 358 H GLY 50 H GLY 50 -20.467 22.245 -21.274 359 1HA GLY 50 1HA GLY 50 -19.843 25.164 -21.346 360 2HA GLY 50 2HA GLY 50 -20.937 24.357 -22.460 361 H GLN 51 H GLN 51 -19.328 22.118 -23.084 362 HA GLN 51 HA GLN 51 -16.898 23.347 -24.332 363 1HB GLN 51 1HB GLN 51 -17.461 20.406 -24.090 364 2HB GLN 51 2HB GLN 51 -16.776 21.306 -22.737 365 1HG GLN 51 1HG GLN 51 -14.740 21.507 -23.748 366 2HG GLN 51 2HG GLN 51 -15.449 21.792 -25.337 367 1HE2 GLN 51 1HE2 GLN 51 -16.534 19.677 -26.318 368 2HE2 GLN 51 2HE2 GLN 51 -15.673 18.234 -26.076 369 H ASN 52 H ASN 52 -19.898 23.053 -25.243 370 HA ASN 52 HA ASN 52 -21.036 21.986 -27.138 371 1HB ASN 52 1HB ASN 52 -20.506 23.678 -29.006 372 2HB ASN 52 2HB ASN 52 -19.383 24.401 -27.857 373 1HD2 ASN 52 1HD2 ASN 52 -22.268 25.103 -28.997 374 2HD2 ASN 52 2HD2 ASN 52 -23.095 25.596 -27.600 375 HA PRO 53 HA PRO 53 -17.573 19.586 -29.025 376 1HB PRO 53 1HB PRO 53 -17.580 17.996 -27.354 377 2HB PRO 53 2HB PRO 53 -18.637 17.118 -28.470 378 1HG PRO 53 1HG PRO 53 -19.364 17.870 -25.903 379 2HG PRO 53 2HG PRO 53 -20.525 17.571 -27.203 380 1HD PRO 53 1HD PRO 53 -19.775 20.121 -25.941 381 2HD PRO 53 2HD PRO 53 -21.132 19.778 -27.035 382 H THR 54 H THR 54 -17.928 17.670 -30.713 383 HA THR 54 HA THR 54 -20.316 18.392 -32.356 384 HB THR 54 HB THR 54 -18.909 18.523 -34.109 385 HG1 THR 54 HG1 THR 54 -19.304 16.389 -34.535 386 1HG2 THR 54 1HG2 THR 54 -16.478 18.235 -33.841 387 2HG2 THR 54 2HG2 THR 54 -16.741 17.466 -32.277 388 3HG2 THR 54 3HG2 THR 54 -17.161 19.163 -32.506 389 H LYS 55 H LYS 55 -21.586 16.705 -33.275 390 HA LYS 55 HA LYS 55 -21.921 14.387 -31.593 391 1HB LYS 55 1HB LYS 55 -23.466 13.672 -33.557 392 2HB LYS 55 2HB LYS 55 -23.103 15.264 -34.222 393 1HG LYS 55 1HG LYS 55 -23.807 15.344 -31.372 394 2HG LYS 55 2HG LYS 55 -25.102 14.704 -32.382 395 1HD LYS 55 1HD LYS 55 -24.777 16.708 -33.896 396 2HD LYS 55 2HD LYS 55 -23.683 17.366 -32.679 397 1HE LYS 55 1HE LYS 55 -25.441 17.442 -31.034 398 2HE LYS 55 2HE LYS 55 -26.532 16.527 -32.075 399 1HZ LYS 55 1HZ LYS 55 -26.990 18.920 -32.100 400 2HZ LYS 55 2HZ LYS 55 -26.558 18.340 -33.636 401 3HZ LYS 55 3HZ LYS 55 -25.435 19.215 -32.708 402 H GLU 56 H GLU 56 -20.752 14.711 -34.982 403 HA GLU 56 HA GLU 56 -20.121 11.930 -35.290 404 1HB GLU 56 1HB GLU 56 -20.321 13.377 -37.246 405 2HB GLU 56 2HB GLU 56 -18.708 12.670 -37.206 406 1HG GLU 56 1HG GLU 56 -18.093 14.872 -35.893 407 2HG GLU 56 2HG GLU 56 -19.555 15.501 -36.650 408 H GLU 57 H GLU 57 -18.340 14.613 -33.876 409 HA GLU 57 HA GLU 57 -15.774 13.269 -33.755 410 1HB GLU 57 1HB GLU 57 -16.762 15.447 -31.898 411 2HB GLU 57 2HB GLU 57 -16.202 15.779 -33.536 412 1HG GLU 57 1HG GLU 57 -14.040 14.628 -32.949 413 2HG GLU 57 2HG GLU 57 -14.609 14.525 -31.283 414 H LEU 58 H LEU 58 -18.527 13.631 -31.531 415 HA LEU 58 HA LEU 58 -17.314 12.191 -29.344 416 1HB LEU 58 1HB LEU 58 -20.071 11.893 -29.072 417 2HB LEU 58 2HB LEU 58 -19.897 13.408 -29.961 418 HG LEU 58 HG LEU 58 -18.147 14.069 -28.235 419 1HD1 LEU 58 1HD1 LEU 58 -20.204 15.164 -27.987 420 2HD1 LEU 58 2HD1 LEU 58 -19.997 14.393 -26.414 421 3HD1 LEU 58 3HD1 LEU 58 -21.066 13.670 -27.618 422 1HD2 LEU 58 1HD2 LEU 58 -18.300 12.851 -26.061 423 2HD2 LEU 58 2HD2 LEU 58 -17.673 11.834 -27.358 424 3HD2 LEU 58 3HD2 LEU 58 -19.346 11.658 -26.833 425 H ASP 59 H ASP 59 -19.201 11.244 -32.159 426 HA ASP 59 HA ASP 59 -19.821 8.566 -31.347 427 1HB ASP 59 1HB ASP 59 -19.241 9.362 -34.204 428 2HB ASP 59 2HB ASP 59 -20.713 9.892 -33.389 429 H ALA 60 H ALA 60 -16.964 10.034 -32.850 430 HA ALA 60 HA ALA 60 -15.592 7.533 -33.362 431 1HB ALA 60 1HB ALA 60 -14.827 9.436 -34.593 432 2HB ALA 60 2HB ALA 60 -13.544 9.080 -33.437 433 3HB ALA 60 3HB ALA 60 -14.665 10.406 -33.129 434 H ILE 61 H ILE 61 -15.825 9.754 -30.635 435 HA ILE 61 HA ILE 61 -13.689 8.736 -29.037 436 HB ILE 61 HB ILE 61 -16.240 10.241 -28.502 437 1HG1 ILE 61 1HG1 ILE 61 -13.908 11.159 -29.298 438 2HG1 ILE 61 2HG1 ILE 61 -13.460 10.963 -27.605 439 1HG2 ILE 61 1HG2 ILE 61 -16.144 8.784 -26.573 440 2HG2 ILE 61 2HG2 ILE 61 -15.535 10.362 -26.074 441 3HG2 ILE 61 3HG2 ILE 61 -14.408 9.044 -26.398 442 1HD1 ILE 61 1HD1 ILE 61 -15.654 12.255 -27.096 443 2HD1 ILE 61 2HD1 ILE 61 -15.597 12.727 -28.795 444 3HD1 ILE 61 3HD1 ILE 61 -14.281 13.175 -27.711 445 H ILE 62 H ILE 62 -17.001 7.596 -29.569 446 HA ILE 62 HA ILE 62 -16.748 5.537 -27.463 447 HB ILE 62 HB ILE 62 -18.984 5.948 -29.477 448 1HG1 ILE 62 1HG1 ILE 62 -18.757 7.955 -28.127 449 2HG1 ILE 62 2HG1 ILE 62 -18.602 7.001 -26.653 450 1HG2 ILE 62 1HG2 ILE 62 -20.298 4.605 -27.883 451 2HG2 ILE 62 2HG2 ILE 62 -18.889 4.452 -26.834 452 3HG2 ILE 62 3HG2 ILE 62 -18.887 3.699 -28.428 453 1HD1 ILE 62 1HD1 ILE 62 -21.048 6.710 -28.378 454 2HD1 ILE 62 2HD1 ILE 62 -20.922 8.060 -27.251 455 3HD1 ILE 62 3HD1 ILE 62 -20.866 6.403 -26.651 456 H GLU 63 H GLU 63 -16.477 5.861 -30.947 457 HA GLU 63 HA GLU 63 -16.713 3.196 -31.822 458 1HB GLU 63 1HB GLU 63 -14.457 4.447 -33.107 459 2HB GLU 63 2HB GLU 63 -15.723 5.647 -32.858 460 1HG GLU 63 1HG GLU 63 -17.341 4.280 -34.014 461 2HG GLU 63 2HG GLU 63 -16.217 2.923 -34.088 462 H GLU 64 H GLU 64 -13.930 4.838 -30.326 463 HA GLU 64 HA GLU 64 -12.161 2.542 -30.552 464 1HB GLU 64 1HB GLU 64 -11.321 4.264 -28.453 465 2HB GLU 64 2HB GLU 64 -12.000 5.285 -29.714 466 1HG GLU 64 1HG GLU 64 -10.029 3.075 -30.336 467 2HG GLU 64 2HG GLU 64 -9.498 4.703 -29.915 468 H VAL 65 H VAL 65 -14.592 3.569 -28.267 469 HA VAL 65 HA VAL 65 -13.630 2.038 -26.006 470 HB VAL 65 HB VAL 65 -16.344 3.221 -26.658 471 1HG1 VAL 65 1HG1 VAL 65 -15.333 1.831 -24.165 472 2HG1 VAL 65 2HG1 VAL 65 -16.760 1.428 -25.118 473 3HG1 VAL 65 3HG1 VAL 65 -16.728 2.909 -24.162 474 1HG2 VAL 65 1HG2 VAL 65 -15.693 4.970 -25.128 475 2HG2 VAL 65 2HG2 VAL 65 -14.371 4.760 -26.276 476 3HG2 VAL 65 3HG2 VAL 65 -14.243 4.087 -24.651 477 H ASP 66 H ASP 66 -16.071 1.370 -28.556 478 HA ASP 66 HA ASP 66 -16.840 -1.172 -27.408 479 1HB ASP 66 1HB ASP 66 -18.470 -0.205 -28.814 480 2HB ASP 66 2HB ASP 66 -17.858 -1.578 -29.725 481 H GLU 67 H GLU 67 -14.430 -1.723 -27.130 482 HA GLU 67 HA GLU 67 -12.929 -2.647 -29.424 483 1HB GLU 67 1HB GLU 67 -12.396 -3.864 -26.764 484 2HB GLU 67 2HB GLU 67 -12.261 -2.108 -26.853 485 1HG GLU 67 1HG GLU 67 -10.649 -2.264 -28.655 486 2HG GLU 67 2HG GLU 67 -10.889 -4.008 -28.779 487 H ASP 68 H ASP 68 -14.865 -4.324 -26.918 488 HA ASP 68 HA ASP 68 -14.533 -6.951 -28.075 489 1HB ASP 68 1HB ASP 68 -16.478 -7.557 -26.613 490 2HB ASP 68 2HB ASP 68 -16.658 -5.852 -26.205 491 H GLY 69 H GLY 69 -17.134 -4.498 -28.277 492 1HA GLY 69 1HA GLY 69 -18.381 -6.091 -30.474 493 2HA GLY 69 2HA GLY 69 -17.970 -4.399 -30.753 494 H SER 70 H SER 70 -18.773 -3.149 -28.456 495 HA SER 70 HA SER 70 -21.573 -3.987 -27.919 496 1HB SER 70 1HB SER 70 -21.125 -1.716 -26.415 497 2HB SER 70 2HB SER 70 -19.521 -2.437 -26.478 498 HG SER 70 HG SER 70 -20.181 -4.113 -25.377 499 H GLY 71 H GLY 71 -20.052 -0.774 -28.311 500 1HA GLY 71 1HA GLY 71 -22.355 0.020 -30.043 501 2HA GLY 71 2HA GLY 71 -20.702 0.442 -30.491 502 H THR 72 H THR 72 -22.588 0.550 -27.459 503 HA THR 72 HA THR 72 -21.912 3.449 -27.193 504 HB THR 72 HB THR 72 -23.863 3.454 -25.574 505 HG1 THR 72 HG1 THR 72 -24.821 1.642 -25.151 506 1HG2 THR 72 1HG2 THR 72 -23.994 4.078 -28.034 507 2HG2 THR 72 2HG2 THR 72 -25.517 3.577 -27.300 508 3HG2 THR 72 3HG2 THR 72 -24.622 2.457 -28.324 509 H ILE 73 H ILE 73 -22.267 3.777 -24.447 510 HA ILE 73 HA ILE 73 -20.061 2.054 -23.391 511 HB ILE 73 HB ILE 73 -20.976 4.456 -21.884 512 1HG1 ILE 73 1HG1 ILE 73 -20.887 5.213 -24.282 513 2HG1 ILE 73 2HG1 ILE 73 -19.215 4.659 -24.354 514 1HG2 ILE 73 1HG2 ILE 73 -19.151 2.932 -21.124 515 2HG2 ILE 73 2HG2 ILE 73 -18.605 4.593 -21.352 516 3HG2 ILE 73 3HG2 ILE 73 -18.231 3.369 -22.564 517 1HD1 ILE 73 1HD1 ILE 73 -18.516 6.275 -22.733 518 2HD1 ILE 73 2HD1 ILE 73 -20.182 6.653 -22.291 519 3HD1 ILE 73 3HD1 ILE 73 -19.553 7.146 -23.862 520 H ASP 74 H ASP 74 -20.498 0.671 -21.757 521 HA ASP 74 HA ASP 74 -23.238 0.711 -20.579 522 1HB ASP 74 1HB ASP 74 -22.783 -1.660 -19.988 523 2HB ASP 74 2HB ASP 74 -21.196 -1.526 -20.734 524 H PHE 75 H PHE 75 -23.205 -0.289 -18.242 525 HA PHE 75 HA PHE 75 -21.568 1.448 -16.597 526 1HB PHE 75 1HB PHE 75 -23.242 -0.942 -15.760 527 2HB PHE 75 2HB PHE 75 -23.846 0.705 -15.909 528 HD1 PHE 75 HD1 PHE 75 -21.686 2.336 -14.786 529 HD2 PHE 75 HD2 PHE 75 -23.210 -1.460 -13.473 530 HE1 PHE 75 HE1 PHE 75 -20.908 2.821 -12.482 531 HE2 PHE 75 HE2 PHE 75 -22.432 -0.975 -11.171 532 HZ PHE 75 HZ PHE 75 -21.281 1.166 -10.674 533 H GLU 76 H GLU 76 -21.594 -2.076 -17.197 534 HA GLU 76 HA GLU 76 -19.222 -2.553 -15.605 535 1HB GLU 76 1HB GLU 76 -20.858 -4.356 -16.158 536 2HB GLU 76 2HB GLU 76 -19.212 -4.782 -16.616 537 1HG GLU 76 1HG GLU 76 -20.012 -5.210 -18.683 538 2HG GLU 76 2HG GLU 76 -20.237 -3.473 -18.871 539 H GLU 77 H GLU 77 -19.755 -1.350 -18.829 540 HA GLU 77 HA GLU 77 -17.098 -2.015 -19.847 541 1HB GLU 77 1HB GLU 77 -18.395 0.395 -20.949 542 2HB GLU 77 2HB GLU 77 -19.421 -1.038 -21.001 543 1HG GLU 77 1HG GLU 77 -16.656 -1.592 -21.801 544 2HG GLU 77 2HG GLU 77 -17.438 -0.398 -22.836 545 H PHE 78 H PHE 78 -18.714 0.707 -18.319 546 HA PHE 78 HA PHE 78 -16.556 2.557 -18.243 547 1HB PHE 78 1HB PHE 78 -19.024 2.080 -16.573 548 2HB PHE 78 2HB PHE 78 -18.740 3.351 -17.748 549 HD1 PHE 78 HD1 PHE 78 -18.929 2.646 -14.347 550 HD2 PHE 78 HD2 PHE 78 -16.530 4.847 -17.147 551 HE1 PHE 78 HE1 PHE 78 -18.105 4.081 -12.508 552 HE2 PHE 78 HE2 PHE 78 -15.711 6.291 -15.302 553 HZ PHE 78 HZ PHE 78 -16.498 5.908 -12.983 554 H LEU 79 H LEU 79 -17.472 -0.157 -16.155 555 HA LEU 79 HA LEU 79 -15.562 0.400 -14.056 556 1HB LEU 79 1HB LEU 79 -15.967 -2.115 -13.583 557 2HB LEU 79 2HB LEU 79 -17.138 -2.018 -14.888 558 HG LEU 79 HG LEU 79 -18.607 -1.428 -13.255 559 1HD1 LEU 79 1HD1 LEU 79 -16.901 -2.082 -11.551 560 2HD1 LEU 79 2HD1 LEU 79 -17.962 -0.784 -11.017 561 3HD1 LEU 79 3HD1 LEU 79 -16.321 -0.420 -11.550 562 1HD2 LEU 79 1HD2 LEU 79 -17.027 1.166 -13.226 563 2HD2 LEU 79 2HD2 LEU 79 -18.700 0.962 -12.711 564 3HD2 LEU 79 3HD2 LEU 79 -18.270 0.753 -14.405 565 H VAL 80 H VAL 80 -15.517 -1.881 -16.846 566 HA VAL 80 HA VAL 80 -12.922 -2.934 -16.303 567 HB VAL 80 HB VAL 80 -14.617 -3.864 -17.958 568 1HG1 VAL 80 1HG1 VAL 80 -13.592 -1.511 -19.529 569 2HG1 VAL 80 2HG1 VAL 80 -15.247 -2.088 -19.344 570 3HG1 VAL 80 3HG1 VAL 80 -14.112 -2.977 -20.356 571 1HG2 VAL 80 1HG2 VAL 80 -12.944 -4.980 -19.150 572 2HG2 VAL 80 2HG2 VAL 80 -12.061 -4.391 -17.742 573 3HG2 VAL 80 3HG2 VAL 80 -11.937 -3.539 -19.280 574 H MET 81 H MET 81 -13.940 0.031 -17.941 575 HA MET 81 HA MET 81 -11.384 0.722 -19.051 576 1HB MET 81 1HB MET 81 -12.578 3.132 -18.550 577 2HB MET 81 2HB MET 81 -13.977 2.059 -18.543 578 1HG MET 81 1HG MET 81 -11.911 1.977 -20.746 579 2HG MET 81 2HG MET 81 -13.298 3.056 -20.793 580 1HE MET 81 1HE MET 81 -15.293 2.507 -22.020 581 2HE MET 81 2HE MET 81 -15.746 2.243 -20.339 582 3HE MET 81 3HE MET 81 -16.277 1.107 -21.576 583 H MET 82 H MET 82 -12.959 1.345 -15.904 584 HA MET 82 HA MET 82 -10.735 2.966 -14.918 585 1HB MET 82 1HB MET 82 -12.569 1.524 -13.039 586 2HB MET 82 2HB MET 82 -13.264 2.767 -14.081 587 1HG MET 82 1HG MET 82 -11.729 4.430 -13.229 588 2HG MET 82 2HG MET 82 -10.814 3.206 -12.349 589 1HE MET 82 1HE MET 82 -14.084 4.822 -13.015 590 2HE MET 82 2HE MET 82 -13.458 5.961 -11.826 591 3HE MET 82 3HE MET 82 -14.892 5.008 -11.453 592 H VAL 83 H VAL 83 -11.561 -0.435 -15.015 593 HA VAL 83 HA VAL 83 -9.657 -1.346 -13.047 594 HB VAL 83 HB VAL 83 -11.403 -2.564 -15.148 595 1HG1 VAL 83 1HG1 VAL 83 -8.990 -3.954 -13.941 596 2HG1 VAL 83 2HG1 VAL 83 -9.342 -3.724 -15.653 597 3HG1 VAL 83 3HG1 VAL 83 -10.339 -4.810 -14.687 598 1HG2 VAL 83 1HG2 VAL 83 -10.951 -2.720 -12.196 599 2HG2 VAL 83 2HG2 VAL 83 -11.625 -4.139 -12.998 600 3HG2 VAL 83 3HG2 VAL 83 -12.461 -2.589 -13.096 601 NH1 ARG 84 NH1 ARG 84 -10.516 0.279 -23.073 602 NH2 ARG 84 NH2 ARG 84 -9.878 -1.863 -22.689 603 H ARG 84 H ARG 84 -9.547 -0.922 -16.599 604 HA ARG 84 HA ARG 84 -6.859 -2.033 -16.815 605 1HB ARG 84 1HB ARG 84 -8.506 -2.083 -18.694 606 2HB ARG 84 2HB ARG 84 -6.964 -1.360 -19.148 607 1HG ARG 84 1HG ARG 84 -8.051 0.905 -18.578 608 2HG ARG 84 2HG ARG 84 -9.584 0.034 -18.570 609 1HD ARG 84 1HD ARG 84 -7.836 -0.468 -20.914 610 2HD ARG 84 2HD ARG 84 -8.508 1.159 -20.800 611 HE ARG 84 HE ARG 84 -10.688 -0.508 -20.354 612 1HH1 ARG 84 1HH1 ARG 84 -10.003 -2.077 -23.658 613 2HH1 ARG 84 2HH1 ARG 84 -9.570 -2.575 -22.057 614 1HH2 ARG 84 1HH2 ARG 84 -10.697 1.202 -22.734 615 2HH2 ARG 84 2HH2 ARG 84 -10.643 0.069 -24.043 616 H GLN 85 H GLN 85 -8.025 0.941 -15.691 617 HA GLN 85 HA GLN 85 -5.532 2.379 -16.465 618 1HB GLN 85 1HB GLN 85 -6.831 4.372 -15.479 619 2HB GLN 85 2HB GLN 85 -8.236 3.304 -15.475 620 1HG GLN 85 1HG GLN 85 -8.009 2.951 -17.886 621 2HG GLN 85 2HG GLN 85 -6.539 3.929 -17.914 622 1HE2 GLN 85 1HE2 GLN 85 -9.886 4.084 -18.399 623 2HE2 GLN 85 2HE2 GLN 85 -10.087 5.760 -18.234 624 H MET 86 H MET 86 -7.514 1.410 -13.675 625 HA MET 86 HA MET 86 -5.768 2.597 -11.688 626 1HB MET 86 1HB MET 86 -7.513 0.215 -11.113 627 2HB MET 86 2HB MET 86 -8.261 1.767 -11.492 628 1HG MET 86 1HG MET 86 -7.049 2.836 -9.659 629 2HG MET 86 2HG MET 86 -6.179 1.340 -9.325 630 1HE MET 86 1HE MET 86 -10.172 2.840 -8.204 631 2HE MET 86 2HE MET 86 -10.392 2.043 -9.759 632 3HE MET 86 3HE MET 86 -9.157 3.288 -9.582 633 H LYS 87 H LYS 87 -5.963 -0.584 -13.252 634 HA LYS 87 HA LYS 87 -3.964 -1.794 -11.511 635 1HB LYS 87 1HB LYS 87 -3.968 -3.600 -13.299 636 2HB LYS 87 2HB LYS 87 -5.174 -2.634 -14.152 637 1HG LYS 87 1HG LYS 87 -6.783 -2.937 -12.480 638 2HG LYS 87 2HG LYS 87 -5.579 -3.322 -11.250 639 1HD LYS 87 1HD LYS 87 -5.729 -5.147 -13.601 640 2HD LYS 87 2HD LYS 87 -7.071 -5.214 -12.459 641 1HE LYS 87 1HE LYS 87 -5.188 -5.312 -10.644 642 2HE LYS 87 2HE LYS 87 -4.153 -5.795 -11.986 643 1HZ LYS 87 1HZ LYS 87 -5.621 -7.621 -12.462 644 2HZ LYS 87 2HZ LYS 87 -6.702 -7.129 -11.246 645 3HZ LYS 87 3HZ LYS 87 -5.154 -7.694 -10.834 646 H GLU 88 H GLU 88 -3.941 -0.218 -14.664 647 HA GLU 88 HA GLU 88 -1.156 -0.859 -15.218 648 1HB GLU 88 1HB GLU 88 -2.496 1.465 -16.531 649 2HB GLU 88 2HB GLU 88 -3.152 -0.143 -16.835 650 1HG GLU 88 1HG GLU 88 -0.189 0.202 -17.024 651 2HG GLU 88 2HG GLU 88 -1.172 0.873 -18.325 652 H ASP 89 H ASP 89 -2.867 2.021 -13.999 653 HA ASP 89 HA ASP 89 -0.411 3.579 -13.801 654 1HB ASP 89 1HB ASP 89 -3.039 4.168 -12.417 655 2HB ASP 89 2HB ASP 89 -2.747 4.539 -14.116 656 H ALA 90 H ALA 90 -2.644 2.295 -11.277 657 HA ALA 90 HA ALA 90 -0.666 2.760 -9.188 658 1HB ALA 90 1HB ALA 90 -3.075 0.969 -8.893 659 2HB ALA 90 2HB ALA 90 -3.253 2.721 -8.966 660 3HB ALA 90 3HB ALA 90 -2.300 1.986 -7.677 661 H LYS 91 H LYS 91 1.181 1.538 -9.733 662 HA LYS 91 HA LYS 91 1.066 -1.280 -10.408 663 1HB LYS 91 1HB LYS 91 3.478 0.109 -9.239 664 2HB LYS 91 2HB LYS 91 2.968 0.405 -10.901 665 1HG LYS 91 1HG LYS 91 3.290 -1.877 -11.511 666 2HG LYS 91 2HG LYS 91 3.396 -2.391 -9.827 667 1HD LYS 91 1HD LYS 91 5.459 -0.822 -9.700 668 2HD LYS 91 2HD LYS 91 5.423 -0.864 -11.462 669 1HE LYS 91 1HE LYS 91 6.206 -2.996 -11.536 670 2HE LYS 91 2HE LYS 91 5.168 -3.518 -10.211 671 1HZ LYS 91 1HZ LYS 91 6.703 -2.391 -8.670 672 2HZ LYS 91 2HZ LYS 91 7.732 -2.037 -9.976 673 3HZ LYS 91 3HZ LYS 91 7.446 -3.650 -9.530 674 H GLY 92 H GLY 92 1.621 0.546 -7.402 675 1HA GLY 92 1HA GLY 92 2.328 -1.678 -5.738 676 2HA GLY 92 2HA GLY 92 0.576 -1.462 -5.684 677 H LYS 93 H LYS 93 0.632 1.387 -6.035 678 HA LYS 93 HA LYS 93 2.244 2.568 -3.932 679 1HB LYS 93 1HB LYS 93 -0.021 4.093 -5.050 680 2HB LYS 93 2HB LYS 93 1.131 3.522 -6.245 681 1HG LYS 93 1HG LYS 93 2.953 4.419 -4.846 682 2HG LYS 93 2HG LYS 93 1.752 5.169 -3.793 683 1HD LYS 93 1HD LYS 93 1.771 5.652 -6.779 684 2HD LYS 93 2HD LYS 93 2.751 6.629 -5.686 685 1HE LYS 93 1HE LYS 93 0.463 6.841 -4.358 686 2HE LYS 93 2HE LYS 93 -0.233 6.466 -5.933 687 1HZ LYS 93 1HZ LYS 93 0.018 8.847 -5.625 688 2HZ LYS 93 2HZ LYS 93 1.013 8.300 -6.888 689 3HZ LYS 93 3HZ LYS 93 1.683 8.664 -5.371 690 H SER 94 H SER 94 -1.190 1.701 -4.398 691 HA SER 94 HA SER 94 -2.061 2.788 -1.861 692 1HB SER 94 1HB SER 94 -4.034 1.163 -2.272 693 2HB SER 94 2HB SER 94 -3.252 0.809 -3.808 694 HG SER 94 HG SER 94 -4.470 2.485 -4.336 695 H GLU 95 H GLU 95 -1.669 -0.627 -2.915 696 HA GLU 95 HA GLU 95 -1.677 -1.617 -0.181 697 1HB GLU 95 1HB GLU 95 -1.102 -3.790 -1.215 698 2HB GLU 95 2HB GLU 95 -0.820 -2.981 -2.755 699 1HG GLU 95 1HG GLU 95 -3.067 -3.956 -2.735 700 2HG GLU 95 2HG GLU 95 -3.186 -2.197 -2.741 701 H GLU 96 H GLU 96 0.108 -0.002 0.461 702 HA GLU 96 HA GLU 96 2.814 -0.465 -0.450 703 1HB GLU 96 1HB GLU 96 3.224 0.772 1.895 704 2HB GLU 96 2HB GLU 96 1.509 1.139 1.698 705 1HG GLU 96 1HG GLU 96 2.168 1.837 -0.720 706 2HG GLU 96 2HG GLU 96 3.818 1.873 -0.102 707 H GLU 97 H GLU 97 1.082 -1.411 2.546 708 HA GLU 97 HA GLU 97 3.307 -2.886 3.632 709 1HB GLU 97 1HB GLU 97 0.972 -4.022 4.693 710 2HB GLU 97 2HB GLU 97 0.545 -2.343 4.364 711 1HG GLU 97 1HG GLU 97 2.819 -1.781 5.504 712 2HG GLU 97 2HG GLU 97 2.734 -3.424 6.137 713 H LEU 98 H LEU 98 0.463 -3.893 1.702 714 HA LEU 98 HA LEU 98 1.135 -6.701 1.814 715 1HB LEU 98 1HB LEU 98 -0.436 -6.853 -0.191 716 2HB LEU 98 2HB LEU 98 -0.661 -5.118 -0.029 717 HG LEU 98 HG LEU 98 -0.977 -6.821 2.412 718 1HD1 LEU 98 1HD1 LEU 98 -3.012 -4.997 2.350 719 2HD1 LEU 98 2HD1 LEU 98 -1.773 -4.150 1.423 720 3HD1 LEU 98 3HD1 LEU 98 -1.432 -4.687 3.067 721 1HD2 LEU 98 1HD2 LEU 98 -2.319 -8.097 0.911 722 2HD2 LEU 98 2HD2 LEU 98 -2.919 -6.651 0.100 723 3HD2 LEU 98 3HD2 LEU 98 -3.448 -7.025 1.740 724 H ALA 99 H ALA 99 1.943 -4.087 -0.472 725 HA ALA 99 HA ALA 99 3.132 -5.803 -2.458 726 1HB ALA 99 1HB ALA 99 4.346 -3.685 -3.157 727 2HB ALA 99 2HB ALA 99 3.569 -2.879 -1.794 728 3HB ALA 99 3HB ALA 99 2.589 -3.547 -3.099 729 H ASN 100 H ASN 100 4.436 -4.164 0.418 730 HA ASN 100 HA ASN 100 7.186 -4.885 -0.034 731 1HB ASN 100 1HB ASN 100 6.207 -4.659 2.770 732 2HB ASN 100 2HB ASN 100 5.967 -3.247 1.742 733 1HD2 ASN 100 1HD2 ASN 100 7.688 -1.816 2.044 734 2HD2 ASN 100 2HD2 ASN 100 9.315 -2.270 2.214 735 H CYS 101 H CYS 101 4.642 -6.340 2.039 736 HA CYS 101 HA CYS 101 6.188 -8.609 2.861 737 1HB CYS 101 1HB CYS 101 3.873 -9.647 3.246 738 2HB CYS 101 2HB CYS 101 3.208 -8.127 2.645 739 HG CYS 101 HG CYS 101 4.336 -8.543 5.408 740 H PHE 102 H PHE 102 4.064 -8.048 0.065 741 HA PHE 102 HA PHE 102 3.994 -10.690 -0.983 742 1HB PHE 102 1HB PHE 102 4.149 -8.147 -2.633 743 2HB PHE 102 2HB PHE 102 2.682 -8.662 -1.803 744 HD1 PHE 102 HD1 PHE 102 1.520 -10.729 -2.465 745 HD2 PHE 102 HD2 PHE 102 4.949 -9.309 -4.614 746 HE1 PHE 102 HE1 PHE 102 0.954 -12.229 -4.349 747 HE2 PHE 102 HE2 PHE 102 4.385 -10.810 -6.505 748 HZ PHE 102 HZ PHE 102 2.368 -12.272 -6.377 749 NH1 ARG 103 NH1 ARG 103 9.904 -7.460 -7.573 750 NH2 ARG 103 NH2 ARG 103 9.566 -5.241 -7.895 751 H ARG 103 H ARG 103 6.260 -8.006 -1.714 752 HA ARG 103 HA ARG 103 7.973 -9.579 -3.404 753 1HB ARG 103 1HB ARG 103 9.647 -7.723 -2.929 754 2HB ARG 103 2HB ARG 103 8.434 -7.016 -1.860 755 1HG ARG 103 1HG ARG 103 7.185 -6.265 -3.603 756 2HG ARG 103 2HG ARG 103 7.380 -7.769 -4.502 757 1HD ARG 103 1HD ARG 103 9.870 -6.868 -4.781 758 2HD ARG 103 2HD ARG 103 9.088 -5.311 -4.514 759 HE ARG 103 HE ARG 103 7.490 -6.318 -6.440 760 1HH1 ARG 103 1HH1 ARG 103 10.559 -7.473 -8.328 761 2HH1 ARG 103 2HH1 ARG 103 9.704 -8.303 -7.071 762 1HH2 ARG 103 1HH2 ARG 103 9.108 -4.389 -7.642 763 2HH2 ARG 103 2HH2 ARG 103 10.221 -5.249 -8.652 764 H ILE 104 H ILE 104 8.057 -8.877 0.092 765 HA ILE 104 HA ILE 104 10.600 -10.087 0.624 766 HB ILE 104 HB ILE 104 8.139 -9.746 2.370 767 1HG1 ILE 104 1HG1 ILE 104 9.569 -7.758 1.436 768 2HG1 ILE 104 2HG1 ILE 104 10.766 -8.290 2.616 769 1HG2 ILE 104 1HG2 ILE 104 9.367 -11.542 3.366 770 2HG2 ILE 104 2HG2 ILE 104 9.833 -10.092 4.254 771 3HG2 ILE 104 3HG2 ILE 104 10.914 -10.761 3.033 772 1HD1 ILE 104 1HD1 ILE 104 7.884 -7.800 3.384 773 2HD1 ILE 104 2HD1 ILE 104 9.078 -6.503 3.389 774 3HD1 ILE 104 3HD1 ILE 104 9.293 -7.902 4.440 775 H PHE 105 H PHE 105 7.424 -11.455 0.027 776 HA PHE 105 HA PHE 105 8.051 -14.084 1.104 777 1HB PHE 105 1HB PHE 105 5.968 -14.568 -0.529 778 2HB PHE 105 2HB PHE 105 5.787 -12.824 -0.356 779 HD1 PHE 105 HD1 PHE 105 6.583 -12.227 2.349 780 HD2 PHE 105 HD2 PHE 105 4.458 -15.656 0.868 781 HE1 PHE 105 HE1 PHE 105 5.571 -12.567 4.586 782 HE2 PHE 105 HE2 PHE 105 3.448 -15.995 3.106 783 HZ PHE 105 HZ PHE 105 4.004 -14.451 4.965 784 H ASP 106 H ASP 106 8.105 -12.617 -2.180 785 HA ASP 106 HA ASP 106 9.034 -15.221 -3.255 786 1HB ASP 106 1HB ASP 106 7.619 -14.334 -4.863 787 2HB ASP 106 2HB ASP 106 9.175 -13.770 -5.455 788 H LYS 107 H LYS 107 11.095 -15.564 -2.568 789 HA LYS 107 HA LYS 107 13.135 -13.602 -2.235 790 1HB LYS 107 1HB LYS 107 14.706 -15.519 -2.243 791 2HB LYS 107 2HB LYS 107 13.417 -16.561 -2.843 792 1HG LYS 107 1HG LYS 107 12.165 -16.340 -0.830 793 2HG LYS 107 2HG LYS 107 13.132 -14.970 -0.286 794 1HD LYS 107 1HD LYS 107 14.506 -17.587 -0.803 795 2HD LYS 107 2HD LYS 107 13.569 -17.404 0.680 796 1HE LYS 107 1HE LYS 107 15.013 -15.838 1.555 797 2HE LYS 107 2HE LYS 107 15.428 -15.181 -0.027 798 1HZ LYS 107 1HZ LYS 107 16.781 -17.105 -0.469 799 2HZ LYS 107 2HZ LYS 107 16.330 -17.815 1.008 800 3HZ LYS 107 3HZ LYS 107 17.270 -16.401 0.994 801 H ASN 108 H ASN 108 11.986 -15.231 -5.122 802 HA ASN 108 HA ASN 108 14.370 -14.494 -6.689 803 1HB ASN 108 1HB ASN 108 11.740 -15.526 -7.771 804 2HB ASN 108 2HB ASN 108 12.948 -16.598 -7.063 805 1HD2 ASN 108 1HD2 ASN 108 11.925 -15.560 -10.019 806 2HD2 ASN 108 2HD2 ASN 108 13.389 -15.608 -10.876 807 H ALA 109 H ALA 109 11.254 -13.133 -5.911 808 HA ALA 109 HA ALA 109 10.228 -11.134 -6.531 809 1HB ALA 109 1HB ALA 109 13.132 -10.618 -7.102 810 2HB ALA 109 2HB ALA 109 12.091 -9.894 -5.879 811 3HB ALA 109 3HB ALA 109 11.928 -9.418 -7.568 812 H ASP 110 H ASP 110 9.665 -13.101 -8.287 813 HA ASP 110 HA ASP 110 10.237 -12.108 -11.027 814 1HB ASP 110 1HB ASP 110 8.454 -14.451 -10.609 815 2HB ASP 110 2HB ASP 110 10.126 -14.645 -10.086 816 H GLY 111 H GLY 111 7.546 -12.524 -8.754 817 1HA GLY 111 1HA GLY 111 5.587 -11.534 -10.732 818 2HA GLY 111 2HA GLY 111 5.928 -10.456 -9.381 819 H PHE 112 H PHE 112 6.017 -13.942 -8.950 820 HA PHE 112 HA PHE 112 3.595 -13.718 -7.220 821 1HB PHE 112 1HB PHE 112 2.691 -15.768 -8.044 822 2HB PHE 112 2HB PHE 112 4.167 -16.153 -8.922 823 HD1 PHE 112 HD1 PHE 112 4.493 -15.400 -11.153 824 HD2 PHE 112 HD2 PHE 112 1.317 -13.749 -8.781 825 HE1 PHE 112 HE1 PHE 112 3.598 -14.244 -13.156 826 HE2 PHE 112 HE2 PHE 112 0.421 -12.595 -10.784 827 HZ PHE 112 HZ PHE 112 1.561 -12.842 -12.971 828 H ILE 113 H ILE 113 3.544 -15.382 -5.525 829 HA ILE 113 HA ILE 113 6.278 -16.058 -4.598 830 HB ILE 113 HB ILE 113 3.561 -16.178 -3.257 831 1HG1 ILE 113 1HG1 ILE 113 5.991 -14.398 -3.007 832 2HG1 ILE 113 2HG1 ILE 113 4.803 -14.528 -1.712 833 1HG2 ILE 113 1HG2 ILE 113 4.771 -18.012 -2.329 834 2HG2 ILE 113 2HG2 ILE 113 4.965 -16.689 -1.180 835 3HG2 ILE 113 3HG2 ILE 113 6.276 -17.092 -2.289 836 1HD1 ILE 113 1HD1 ILE 113 4.457 -13.417 -4.478 837 2HD1 ILE 113 2HD1 ILE 113 3.983 -12.718 -2.931 838 3HD1 ILE 113 3HD1 ILE 113 3.064 -14.061 -3.610 839 H ASP 114 H ASP 114 7.076 -18.112 -4.781 840 HA ASP 114 HA ASP 114 5.228 -20.229 -5.766 841 1HB ASP 114 1HB ASP 114 7.138 -21.373 -6.588 842 2HB ASP 114 2HB ASP 114 8.230 -20.458 -5.553 843 H ILE 115 H ILE 115 5.246 -22.332 -4.781 844 HA ILE 115 HA ILE 115 5.168 -22.346 -1.935 845 HB ILE 115 HB ILE 115 3.975 -23.963 -3.421 846 1HG1 ILE 115 1HG1 ILE 115 4.014 -24.640 -1.177 847 2HG1 ILE 115 2HG1 ILE 115 5.756 -24.908 -1.182 848 1HG2 ILE 115 1HG2 ILE 115 5.110 -25.757 -4.503 849 2HG2 ILE 115 2HG2 ILE 115 6.622 -25.402 -3.670 850 3HG2 ILE 115 3HG2 ILE 115 6.023 -24.306 -4.916 851 1HD1 ILE 115 1HD1 ILE 115 4.284 -27.005 -1.213 852 2HD1 ILE 115 2HD1 ILE 115 5.543 -26.916 -2.444 853 3HD1 ILE 115 3HD1 ILE 115 3.868 -26.561 -2.868 854 H GLU 116 H GLU 116 7.677 -23.350 -4.219 855 HA GLU 116 HA GLU 116 9.511 -24.455 -2.319 856 1HB GLU 116 1HB GLU 116 9.907 -24.916 -4.638 857 2HB GLU 116 2HB GLU 116 11.256 -23.921 -4.098 858 1HG GLU 116 1HG GLU 116 9.817 -21.916 -4.936 859 2HG GLU 116 2HG GLU 116 8.903 -23.137 -5.817 860 H GLU 117 H GLU 117 9.007 -21.123 -3.458 861 HA GLU 117 HA GLU 117 11.306 -19.979 -2.167 862 1HB GLU 117 1HB GLU 117 9.300 -18.012 -2.202 863 2HB GLU 117 2HB GLU 117 8.959 -19.032 -3.598 864 1HG GLU 117 1HG GLU 117 11.817 -18.357 -3.201 865 2HG GLU 117 2HG GLU 117 10.774 -16.998 -3.606 866 H LEU 118 H LEU 118 7.939 -20.484 -1.111 867 HA LEU 118 HA LEU 118 8.255 -19.151 1.433 868 1HB LEU 118 1HB LEU 118 6.268 -21.355 0.907 869 2HB LEU 118 2HB LEU 118 6.078 -19.765 0.169 870 HG LEU 118 HG LEU 118 6.662 -19.799 3.085 871 1HD1 LEU 118 1HD1 LEU 118 6.244 -17.740 1.706 872 2HD1 LEU 118 2HD1 LEU 118 5.125 -17.918 3.056 873 3HD1 LEU 118 3HD1 LEU 118 4.602 -18.317 1.420 874 1HD2 LEU 118 1HD2 LEU 118 3.978 -20.640 1.936 875 2HD2 LEU 118 2HD2 LEU 118 4.284 -20.258 3.630 876 3HD2 LEU 118 3HD2 LEU 118 5.057 -21.659 2.888 877 H GLY 119 H GLY 119 8.867 -22.456 0.336 878 1HA GLY 119 1HA GLY 119 9.911 -24.249 1.428 879 2HA GLY 119 2HA GLY 119 8.945 -23.795 2.829 880 H GLU 120 H GLU 120 11.559 -22.027 1.129 881 HA GLU 120 HA GLU 120 13.527 -22.469 3.193 882 1HB GLU 120 1HB GLU 120 14.610 -20.392 2.106 883 2HB GLU 120 2HB GLU 120 13.292 -20.479 0.936 884 1HG GLU 120 1HG GLU 120 14.766 -23.009 1.516 885 2HG GLU 120 2HG GLU 120 15.616 -21.785 0.573 886 H ILE 121 H ILE 121 11.143 -19.895 2.591 887 HA ILE 121 HA ILE 121 12.036 -18.054 4.577 888 HB ILE 121 HB ILE 121 9.231 -18.615 3.554 889 1HG1 ILE 121 1HG1 ILE 121 11.181 -17.777 2.011 890 2HG1 ILE 121 2HG1 ILE 121 10.963 -16.249 2.863 891 1HG2 ILE 121 1HG2 ILE 121 8.780 -16.277 4.394 892 2HG2 ILE 121 2HG2 ILE 121 10.329 -16.341 5.233 893 3HG2 ILE 121 3HG2 ILE 121 9.041 -17.464 5.672 894 1HD1 ILE 121 1HD1 ILE 121 9.399 -17.321 0.720 895 2HD1 ILE 121 2HD1 ILE 121 9.189 -15.785 1.559 896 3HD1 ILE 121 3HD1 ILE 121 8.376 -17.233 2.153 897 H LEU 122 H LEU 122 9.803 -20.838 4.801 898 HA LEU 122 HA LEU 122 9.176 -20.418 7.594 899 1HB LEU 122 1HB LEU 122 8.616 -23.000 7.347 900 2HB LEU 122 2HB LEU 122 8.814 -22.655 5.629 901 HG LEU 122 HG LEU 122 7.247 -20.605 6.157 902 1HD1 LEU 122 1HD1 LEU 122 5.709 -23.142 6.301 903 2HD1 LEU 122 2HD1 LEU 122 6.857 -23.008 4.969 904 3HD1 LEU 122 3HD1 LEU 122 5.577 -21.809 5.154 905 1HD2 LEU 122 1HD2 LEU 122 5.751 -20.903 8.001 906 2HD2 LEU 122 2HD2 LEU 122 7.369 -21.155 8.656 907 3HD2 LEU 122 3HD2 LEU 122 6.336 -22.540 8.300 908 NH1 ARG 123 NH1 ARG 123 16.480 -27.247 5.168 909 NH2 ARG 123 NH2 ARG 123 16.095 -25.061 4.702 910 H ARG 123 H ARG 123 11.550 -22.496 5.910 911 HA ARG 123 HA ARG 123 12.583 -23.681 8.341 912 1HB ARG 123 1HB ARG 123 14.532 -24.306 6.826 913 2HB ARG 123 2HB ARG 123 13.680 -23.465 5.531 914 1HG ARG 123 1HG ARG 123 12.166 -25.141 5.295 915 2HG ARG 123 2HG ARG 123 11.980 -25.336 7.038 916 1HD ARG 123 1HD ARG 123 12.958 -27.371 6.235 917 2HD ARG 123 2HD ARG 123 14.259 -26.480 7.023 918 HE ARG 123 HE ARG 123 13.904 -26.681 4.061 919 1HH1 ARG 123 1HH1 ARG 123 17.079 -24.882 4.717 920 2HH1 ARG 123 2HH1 ARG 123 15.456 -24.314 4.517 921 1HH2 ARG 123 1HH2 ARG 123 16.135 -28.170 5.339 922 2HH2 ARG 123 2HH2 ARG 123 17.465 -27.072 5.182 923 H ALA 124 H ALA 124 13.400 -20.760 6.513 924 HA ALA 124 HA ALA 124 15.969 -20.196 7.518 925 1HB ALA 124 1HB ALA 124 13.693 -18.339 6.798 926 2HB ALA 124 2HB ALA 124 15.057 -18.816 5.786 927 3HB ALA 124 3HB ALA 124 15.317 -17.769 7.181 928 H THR 125 H THR 125 12.829 -19.660 9.126 929 HA THR 125 HA THR 125 13.866 -18.053 11.267 930 HB THR 125 HB THR 125 11.453 -18.191 10.717 931 HG1 THR 125 HG1 THR 125 11.642 -17.450 12.699 932 1HG2 THR 125 1HG2 THR 125 11.854 -20.918 10.719 933 2HG2 THR 125 2HG2 THR 125 10.280 -20.122 10.736 934 3HG2 THR 125 3HG2 THR 125 11.016 -20.655 12.247 935 H GLY 126 H GLY 126 14.096 -21.473 10.692 936 1HA GLY 126 1HA GLY 126 15.632 -21.760 13.188 937 2HA GLY 126 2HA GLY 126 15.515 -22.956 11.901 938 H GLU 127 H GLU 127 12.388 -22.175 12.311 939 HA GLU 127 HA GLU 127 11.761 -23.486 14.827 940 1HB GLU 127 1HB GLU 127 9.402 -23.549 13.693 941 2HB GLU 127 2HB GLU 127 10.158 -22.530 12.468 942 1HG GLU 127 1HG GLU 127 10.890 -20.975 14.291 943 2HG GLU 127 2HG GLU 127 9.998 -21.965 15.447 944 H HIS 128 H HIS 128 12.353 -24.584 11.569 945 HA HIS 128 HA HIS 128 12.477 -26.725 10.661 946 1HB HIS 128 1HB HIS 128 12.694 -28.638 12.184 947 2HB HIS 128 2HB HIS 128 12.143 -27.650 13.534 948 HD1 HIS 128 HD1 HIS 128 14.153 -27.167 14.937 949 HD2 HIS 128 HD2 HIS 128 15.004 -26.822 10.871 950 HE1 HIS 128 HE1 HIS 128 16.543 -26.347 14.771 951 H VAL 129 H VAL 129 10.376 -26.123 9.704 952 HA VAL 129 HA VAL 129 8.005 -27.427 10.937 953 HB VAL 129 HB VAL 129 7.692 -25.141 10.128 954 1HG1 VAL 129 1HG1 VAL 129 9.291 -24.830 8.431 955 2HG1 VAL 129 2HG1 VAL 129 7.763 -24.854 7.550 956 3HG1 VAL 129 3HG1 VAL 129 8.793 -26.286 7.569 957 1HG2 VAL 129 1HG2 VAL 129 5.712 -25.476 8.830 958 2HG2 VAL 129 2HG2 VAL 129 5.859 -26.888 9.875 959 3HG2 VAL 129 3HG2 VAL 129 6.318 -26.997 8.175 960 H ILE 130 H ILE 130 6.646 -28.798 9.534 961 HA ILE 130 HA ILE 130 8.350 -30.609 7.918 962 HB ILE 130 HB ILE 130 5.948 -31.847 7.881 963 1HG1 ILE 130 1HG1 ILE 130 5.042 -29.858 9.278 964 2HG1 ILE 130 2HG1 ILE 130 5.949 -30.562 10.615 965 1HG2 ILE 130 1HG2 ILE 130 6.761 -33.121 9.856 966 2HG2 ILE 130 2HG2 ILE 130 7.944 -31.850 10.166 967 3HG2 ILE 130 3HG2 ILE 130 8.048 -32.810 8.690 968 1HD1 ILE 130 1HD1 ILE 130 3.784 -31.924 8.983 969 2HD1 ILE 130 2HD1 ILE 130 3.661 -31.411 10.666 970 3HD1 ILE 130 3HD1 ILE 130 4.750 -32.725 10.223 971 H GLU 131 H GLU 131 7.966 -31.065 5.741 972 HA GLU 131 HA GLU 131 6.772 -29.005 4.151 973 1HB GLU 131 1HB GLU 131 8.568 -30.426 3.268 974 2HB GLU 131 2HB GLU 131 7.135 -30.564 2.259 975 1HG GLU 131 1HG GLU 131 6.526 -32.629 3.647 976 2HG GLU 131 2HG GLU 131 8.161 -32.544 4.299 977 H GLU 132 H GLU 132 5.517 -31.982 5.536 978 HA GLU 132 HA GLU 132 3.146 -32.170 3.913 979 1HB GLU 132 1HB GLU 132 2.287 -33.389 6.074 980 2HB GLU 132 2HB GLU 132 3.960 -33.231 6.611 981 1HG GLU 132 1HG GLU 132 4.591 -34.238 4.317 982 2HG GLU 132 2HG GLU 132 2.894 -34.699 4.194 983 H ASP 133 H ASP 133 4.016 -30.304 6.797 984 HA ASP 133 HA ASP 133 1.264 -29.372 7.231 985 1HB ASP 133 1HB ASP 133 3.800 -28.166 8.364 986 2HB ASP 133 2HB ASP 133 3.050 -29.610 9.046 987 H ILE 134 H ILE 134 4.232 -28.142 5.704 988 HA ILE 134 HA ILE 134 3.197 -25.484 5.189 989 HB ILE 134 HB ILE 134 5.415 -26.991 3.758 990 1HG1 ILE 134 1HG1 ILE 134 5.565 -26.640 6.330 991 2HG1 ILE 134 2HG1 ILE 134 5.760 -24.933 5.940 992 1HG2 ILE 134 1HG2 ILE 134 4.688 -25.062 2.477 993 2HG2 ILE 134 2HG2 ILE 134 6.216 -24.660 3.260 994 3HG2 ILE 134 3HG2 ILE 134 4.699 -24.047 3.918 995 1HD1 ILE 134 1HD1 ILE 134 7.924 -25.273 5.415 996 2HD1 ILE 134 2HD1 ILE 134 7.470 -26.495 4.228 997 3HD1 ILE 134 3HD1 ILE 134 7.750 -26.958 5.906 998 H GLU 135 H GLU 135 3.545 -28.408 3.149 999 HA GLU 135 HA GLU 135 2.408 -27.304 0.780 1000 1HB GLU 135 1HB GLU 135 2.012 -30.194 1.493 1001 2HB GLU 135 2HB GLU 135 3.644 -29.587 1.214 1002 1HG GLU 135 1HG GLU 135 3.235 -29.130 -1.026 1003 2HG GLU 135 2HG GLU 135 1.505 -28.904 -0.772 1004 H ASP 136 H ASP 136 0.846 -29.185 3.409 1005 HA ASP 136 HA ASP 136 -1.785 -29.118 2.282 1006 1HB ASP 136 1HB ASP 136 -1.041 -29.249 5.220 1007 2HB ASP 136 2HB ASP 136 -1.074 -30.639 4.136 1008 H LEU 137 H LEU 137 -0.103 -26.888 4.500 1009 HA LEU 137 HA LEU 137 -2.339 -25.207 5.079 1010 1HB LEU 137 1HB LEU 137 0.535 -24.284 4.853 1011 2HB LEU 137 2HB LEU 137 -0.056 -25.222 6.223 1012 HG LEU 137 HG LEU 137 -1.480 -22.713 5.353 1013 1HD1 LEU 137 1HD1 LEU 137 -2.558 -24.262 6.970 1014 2HD1 LEU 137 2HD1 LEU 137 -2.179 -22.706 7.707 1015 3HD1 LEU 137 3HD1 LEU 137 -1.157 -24.107 8.030 1016 1HD2 LEU 137 1HD2 LEU 137 0.962 -22.956 7.133 1017 2HD2 LEU 137 2HD2 LEU 137 -0.101 -21.549 7.131 1018 3HD2 LEU 137 3HD2 LEU 137 0.796 -21.978 5.675 1019 H MET 138 H MET 138 0.067 -25.092 2.442 1020 HA MET 138 HA MET 138 -0.916 -22.626 1.306 1021 1HB MET 138 1HB MET 138 0.413 -24.658 -0.434 1022 2HB MET 138 2HB MET 138 1.339 -24.013 0.921 1023 1HG MET 138 1HG MET 138 1.849 -22.416 -0.667 1024 2HG MET 138 2HG MET 138 0.376 -21.700 -0.016 1025 1HE MET 138 1HE MET 138 1.505 -20.817 -2.413 1026 2HE MET 138 2HE MET 138 0.674 -21.173 -3.925 1027 3HE MET 138 3HE MET 138 2.010 -22.195 -3.401 1028 H LYS 139 H LYS 139 -1.511 -26.071 0.469 1029 HA LYS 139 HA LYS 139 -3.282 -25.462 -1.720 1030 1HB LYS 139 1HB LYS 139 -2.191 -27.669 -1.471 1031 2HB LYS 139 2HB LYS 139 -3.938 -27.821 -1.621 1032 1HG LYS 139 1HG LYS 139 -3.837 -27.709 1.034 1033 2HG LYS 139 2HG LYS 139 -2.190 -28.276 0.768 1034 1HD LYS 139 1HD LYS 139 -3.039 -30.358 0.578 1035 2HD LYS 139 2HD LYS 139 -3.773 -29.843 -0.941 1036 1HE LYS 139 1HE LYS 139 -5.659 -28.875 0.592 1037 2HE LYS 139 2HE LYS 139 -5.000 -29.971 1.807 1038 1HZ LYS 139 1HZ LYS 139 -5.372 -31.822 0.384 1039 2HZ LYS 139 2HZ LYS 139 -5.799 -30.823 -0.923 1040 3HZ LYS 139 3HZ LYS 139 -6.814 -30.931 0.434 1041 H ASP 140 H ASP 140 -3.769 -25.475 1.727 1042 HA ASP 140 HA ASP 140 -6.710 -25.642 1.480 1043 1HB ASP 140 1HB ASP 140 -6.369 -25.020 4.059 1044 2HB ASP 140 2HB ASP 140 -4.742 -25.611 3.729 1045 H SER 141 H SER 141 -4.188 -23.219 1.933 1046 HA SER 141 HA SER 141 -6.051 -21.091 2.669 1047 1HB SER 141 1HB SER 141 -4.004 -19.631 2.235 1048 2HB SER 141 2HB SER 141 -3.130 -21.118 1.877 1049 HG SER 141 HG SER 141 -4.161 -20.205 4.299 1050 H ASP 142 H ASP 142 -4.565 -22.281 -0.319 1051 HA ASP 142 HA ASP 142 -5.286 -19.998 -1.940 1052 1HB ASP 142 1HB ASP 142 -5.208 -22.393 -3.511 1053 2HB ASP 142 2HB ASP 142 -3.930 -22.489 -2.303 1054 H LYS 143 H LYS 143 -7.347 -19.422 -2.447 1055 HA LYS 143 HA LYS 143 -9.604 -21.191 -1.973 1056 1HB LYS 143 1HB LYS 143 -10.917 -19.324 -3.074 1057 2HB LYS 143 2HB LYS 143 -9.387 -18.480 -3.310 1058 1HG LYS 143 1HG LYS 143 -9.677 -19.436 -0.569 1059 2HG LYS 143 2HG LYS 143 -11.007 -18.376 -1.031 1060 1HD LYS 143 1HD LYS 143 -8.510 -17.303 -2.017 1061 2HD LYS 143 2HD LYS 143 -8.381 -17.618 -0.287 1062 1HE LYS 143 1HE LYS 143 -9.320 -15.505 -0.225 1063 2HE LYS 143 2HE LYS 143 -10.792 -16.472 -0.269 1064 1HZ LYS 143 1HZ LYS 143 -11.035 -16.105 -2.563 1065 2HZ LYS 143 2HZ LYS 143 -9.465 -15.477 -2.725 1066 3HZ LYS 143 3HZ LYS 143 -10.659 -14.589 -1.905 1067 H ASN 144 H ASN 144 -7.911 -20.024 -4.882 1068 HA ASN 144 HA ASN 144 -9.656 -21.683 -6.609 1069 1HB ASN 144 1HB ASN 144 -7.264 -20.186 -7.630 1070 2HB ASN 144 2HB ASN 144 -8.679 -19.271 -7.113 1071 1HD2 ASN 144 1HD2 ASN 144 -7.330 -20.933 -9.764 1072 2HD2 ASN 144 2HD2 ASN 144 -8.743 -21.098 -10.688 1073 H ASN 145 H ASN 145 -6.404 -21.623 -5.264 1074 HA ASN 145 HA ASN 145 -4.740 -23.245 -5.191 1075 1HB ASN 145 1HB ASN 145 -6.542 -25.302 -6.410 1076 2HB ASN 145 2HB ASN 145 -6.969 -24.651 -4.828 1077 1HD2 ASN 145 1HD2 ASN 145 -4.849 -26.841 -6.491 1078 2HD2 ASN 145 2HD2 ASN 145 -3.904 -27.277 -5.151 1079 H ASP 146 H ASP 146 -3.632 -22.081 -6.896 1080 HA ASP 146 HA ASP 146 -3.845 -23.349 -9.598 1081 1HB ASP 146 1HB ASP 146 -2.799 -21.318 -10.471 1082 2HB ASP 146 2HB ASP 146 -2.577 -20.698 -8.837 1083 H GLY 147 H GLY 147 -1.621 -22.472 -6.985 1084 1HA GLY 147 1HA GLY 147 0.635 -23.761 -8.430 1085 2HA GLY 147 2HA GLY 147 0.170 -24.396 -6.851 1086 NH1 ARG 148 NH1 ARG 148 4.018 -23.771 -11.112 1087 NH2 ARG 148 NH2 ARG 148 3.994 -21.832 -12.286 1088 H ARG 148 H ARG 148 0.334 -21.032 -8.041 1089 HA ARG 148 HA ARG 148 2.375 -20.458 -5.938 1090 1HB ARG 148 1HB ARG 148 2.868 -18.454 -7.448 1091 2HB ARG 148 2HB ARG 148 1.854 -19.238 -8.656 1092 1HG ARG 148 1HG ARG 148 4.081 -20.756 -7.327 1093 2HG ARG 148 2HG ARG 148 4.423 -19.684 -8.679 1094 1HD ARG 148 1HD ARG 148 2.411 -20.974 -9.808 1095 2HD ARG 148 2HD ARG 148 2.832 -22.221 -8.633 1096 HE ARG 148 HE ARG 148 5.263 -21.579 -9.788 1097 1HH1 ARG 148 1HH1 ARG 148 3.846 -24.285 -11.953 1098 2HH1 ARG 148 2HH1 ARG 148 4.114 -24.257 -10.242 1099 1HH2 ARG 148 1HH2 ARG 148 4.071 -20.836 -12.314 1100 2HH2 ARG 148 2HH2 ARG 148 3.822 -22.343 -13.129 1101 H ILE 149 H ILE 149 2.263 -18.077 -5.234 1102 HA ILE 149 HA ILE 149 -0.598 -17.341 -4.768 1103 HB ILE 149 HB ILE 149 1.909 -16.731 -3.176 1104 1HG1 ILE 149 1HG1 ILE 149 0.500 -18.977 -3.058 1105 2HG1 ILE 149 2HG1 ILE 149 -0.587 -17.983 -2.087 1106 1HG2 ILE 149 1HG2 ILE 149 -0.274 -15.863 -1.692 1107 2HG2 ILE 149 2HG2 ILE 149 -0.646 -15.307 -3.324 1108 3HG2 ILE 149 3HG2 ILE 149 0.863 -14.823 -2.550 1109 1HD1 ILE 149 1HD1 ILE 149 1.004 -19.064 -0.602 1110 2HD1 ILE 149 2HD1 ILE 149 1.383 -17.343 -0.662 1111 3HD1 ILE 149 3HD1 ILE 149 2.359 -18.493 -1.574 1112 H ASP 150 H ASP 150 -1.305 -15.542 -5.798 1113 HA ASP 150 HA ASP 150 0.734 -13.719 -6.989 1114 1HB ASP 150 1HB ASP 150 -0.533 -14.319 -8.811 1115 2HB ASP 150 2HB ASP 150 -1.479 -12.939 -8.267 1116 H PHE 151 H PHE 151 -0.070 -11.385 -7.198 1117 HA PHE 151 HA PHE 151 -0.470 -10.274 -4.605 1118 1HB PHE 151 1HB PHE 151 -1.235 -8.803 -7.119 1119 2HB PHE 151 2HB PHE 151 0.455 -9.186 -6.791 1120 HD1 PHE 151 HD1 PHE 151 -2.448 -7.186 -5.780 1121 HD2 PHE 151 HD2 PHE 151 1.599 -8.253 -4.813 1122 HE1 PHE 151 HE1 PHE 151 -2.313 -5.262 -4.224 1123 HE2 PHE 151 HE2 PHE 151 1.731 -6.330 -3.259 1124 HZ PHE 151 HZ PHE 151 -0.220 -4.834 -2.965 1125 H ASP 152 H ASP 152 -2.764 -11.215 -7.111 1126 HA ASP 152 HA ASP 152 -5.061 -9.810 -6.185 1127 1HB ASP 152 1HB ASP 152 -6.346 -11.719 -7.260 1128 2HB ASP 152 2HB ASP 152 -4.792 -12.492 -7.567 1129 H GLU 153 H GLU 153 -4.193 -13.239 -5.488 1130 HA GLU 153 HA GLU 153 -6.127 -13.442 -3.351 1131 1HB GLU 153 1HB GLU 153 -5.270 -15.426 -4.582 1132 2HB GLU 153 2HB GLU 153 -5.083 -15.588 -2.838 1133 1HG GLU 153 1HG GLU 153 -2.743 -15.124 -2.947 1134 2HG GLU 153 2HG GLU 153 -2.861 -14.550 -4.610 1135 H PHE 154 H PHE 154 -2.794 -12.334 -3.504 1136 HA PHE 154 HA PHE 154 -2.041 -12.587 -0.780 1137 1HB PHE 154 1HB PHE 154 -1.334 -10.215 -2.522 1138 2HB PHE 154 2HB PHE 154 -0.580 -11.799 -2.716 1139 HD1 PHE 154 HD1 PHE 154 0.806 -12.758 -0.916 1140 HD2 PHE 154 HD2 PHE 154 -0.849 -8.806 -0.590 1141 HE1 PHE 154 HE1 PHE 154 2.346 -12.273 0.961 1142 HE2 PHE 154 HE2 PHE 154 0.693 -8.327 1.289 1143 HZ PHE 154 HZ PHE 154 2.289 -10.055 2.063 1144 H LEU 155 H LEU 155 -4.153 -10.221 -2.354 1145 HA LEU 155 HA LEU 155 -4.252 -8.225 -0.356 1146 1HB LEU 155 1HB LEU 155 -6.554 -7.763 -1.192 1147 2HB LEU 155 2HB LEU 155 -6.502 -9.268 -2.107 1148 HG LEU 155 HG LEU 155 -4.388 -8.368 -3.215 1149 1HD1 LEU 155 1HD1 LEU 155 -6.716 -8.355 -4.219 1150 2HD1 LEU 155 2HD1 LEU 155 -5.623 -7.127 -4.857 1151 3HD1 LEU 155 3HD1 LEU 155 -6.857 -6.682 -3.679 1152 1HD2 LEU 155 1HD2 LEU 155 -5.335 -5.906 -1.735 1153 2HD2 LEU 155 2HD2 LEU 155 -4.333 -5.795 -3.182 1154 3HD2 LEU 155 3HD2 LEU 155 -3.720 -6.616 -1.748 1155 H LYS 156 H LYS 156 -6.477 -11.022 -0.707 1156 HA LYS 156 HA LYS 156 -7.638 -10.654 1.921 1157 1HB LYS 156 1HB LYS 156 -7.672 -13.344 0.623 1158 2HB LYS 156 2HB LYS 156 -8.465 -12.019 -0.231 1159 1HG LYS 156 1HG LYS 156 -9.623 -11.508 2.018 1160 2HG LYS 156 2HG LYS 156 -9.070 -13.103 2.527 1161 1HD LYS 156 1HD LYS 156 -10.395 -14.207 0.936 1162 2HD LYS 156 2HD LYS 156 -10.538 -12.773 -0.082 1163 1HE LYS 156 1HE LYS 156 -11.630 -12.567 2.683 1164 2HE LYS 156 2HE LYS 156 -12.517 -13.595 1.559 1165 1HZ LYS 156 1HZ LYS 156 -11.797 -10.742 1.159 1166 2HZ LYS 156 2HZ LYS 156 -13.353 -11.372 1.419 1167 3HZ LYS 156 3HZ LYS 156 -12.523 -11.722 -0.021 1168 H MET 157 H MET 157 -4.817 -12.355 0.710 1169 HA MET 157 HA MET 157 -4.419 -14.171 2.882 1170 1HB MET 157 1HB MET 157 -2.014 -12.983 1.608 1171 2HB MET 157 2HB MET 157 -3.167 -13.744 0.511 1172 1HG MET 157 1HG MET 157 -2.610 -15.812 1.218 1173 2HG MET 157 2HG MET 157 -2.714 -15.338 2.912 1174 1HE MET 157 1HE MET 157 -0.578 -12.920 3.141 1175 2HE MET 157 2HE MET 157 0.652 -13.961 3.853 1176 3HE MET 157 3HE MET 157 -1.048 -14.229 4.234 1177 H MET 158 H MET 158 -3.193 -10.847 2.340 1178 HA MET 158 HA MET 158 -1.955 -10.789 5.005 1179 1HB MET 158 1HB MET 158 -2.328 -8.322 3.351 1180 2HB MET 158 2HB MET 158 -1.226 -9.566 2.763 1181 1HG MET 158 1HG MET 158 -1.076 -8.524 5.597 1182 2HG MET 158 2HG MET 158 -0.228 -7.725 4.274 1183 1HE MET 158 1HE MET 158 1.110 -10.481 7.017 1184 2HE MET 158 2HE MET 158 0.501 -8.835 6.877 1185 3HE MET 158 3HE MET 158 2.181 -9.182 6.475 1186 H GLU 159 H GLU 159 -5.107 -10.272 3.824 1187 HA GLU 159 HA GLU 159 -5.966 -8.036 5.382 1188 1HB GLU 159 1HB GLU 159 -8.144 -9.804 5.240 1189 2HB GLU 159 2HB GLU 159 -7.201 -10.135 3.789 1190 1HG GLU 159 1HG GLU 159 -7.117 -7.457 3.710 1191 2HG GLU 159 2HG GLU 159 -8.623 -7.640 4.607 1192 H GLY 160 H GLY 160 -6.237 -11.553 6.095 1193 1HA GLY 160 1HA GLY 160 -7.386 -11.942 8.406 1194 2HA GLY 160 2HA GLY 160 -6.125 -10.860 8.997 1195 H VAL 161 H VAL 161 -4.128 -11.734 9.447 1196 HA VAL 161 HA VAL 161 -3.599 -14.528 8.526 1197 HB VAL 161 HB VAL 161 -1.969 -12.778 7.793 1198 1HG1 VAL 161 1HG1 VAL 161 -0.712 -12.558 10.443 1199 2HG1 VAL 161 2HG1 VAL 161 -2.279 -11.756 10.331 1200 3HG1 VAL 161 3HG1 VAL 161 -0.984 -11.320 9.218 1201 1HG2 VAL 161 1HG2 VAL 161 0.002 -14.066 9.236 1202 2HG2 VAL 161 2HG2 VAL 161 -0.733 -14.678 7.756 1203 3HG2 VAL 161 3HG2 VAL 161 -1.338 -15.208 9.324 1204 H GLN 162 H GLN 162 -5.294 -14.562 10.565 1205 HA GLN 162 HA GLN 162 -3.640 -14.977 13.026 1206 1HB GLN 162 1HB GLN 162 -5.766 -14.694 14.285 1207 2HB GLN 162 2HB GLN 162 -6.609 -14.397 12.766 1208 1HG GLN 162 1HG GLN 162 -5.140 -12.444 12.348 1209 2HG GLN 162 2HG GLN 162 -4.323 -12.738 13.882 1210 1HE2 GLN 162 1HE2 GLN 162 -5.108 -11.357 15.482 1211 2HE2 GLN 162 2HE2 GLN 162 -6.717 -10.834 15.618 Start of MODEL 21 Raw file had 1211 H/Q atoms Start of MODEL 21 1 1H ALA 1 1H ALA 1 -34.164 7.431 4.178 2 2H ALA 1 2H ALA 1 -32.951 7.111 3.032 3 3H ALA 1 3H ALA 1 -32.669 6.810 4.681 4 HA ALA 1 HA ALA 1 -34.538 5.161 4.605 5 1HB ALA 1 1HB ALA 1 -34.950 4.276 2.261 6 2HB ALA 1 2HB ALA 1 -34.162 5.731 1.654 7 3HB ALA 1 3HB ALA 1 -35.650 5.861 2.591 8 H SER 2 H SER 2 -31.864 5.404 2.213 9 HA SER 2 HA SER 2 -30.714 2.927 3.448 10 1HB SER 2 1HB SER 2 -29.794 2.379 1.221 11 2HB SER 2 2HB SER 2 -30.558 3.816 0.550 12 HG SER 2 HG SER 2 -32.462 2.902 0.641 13 H MET 3 H MET 3 -29.877 5.036 4.740 14 HA MET 3 HA MET 3 -27.391 6.015 3.410 15 1HB MET 3 1HB MET 3 -28.041 7.237 5.989 16 2HB MET 3 2HB MET 3 -29.351 7.401 4.821 17 1HG MET 3 1HG MET 3 -28.010 9.274 4.355 18 2HG MET 3 2HG MET 3 -27.455 8.099 3.164 19 1HE MET 3 1HE MET 3 -23.961 7.669 3.610 20 2HE MET 3 2HE MET 3 -25.458 7.584 2.687 21 3HE MET 3 3HE MET 3 -25.117 6.365 3.911 22 H THR 4 H THR 4 -27.233 3.410 4.222 23 HA THR 4 HA THR 4 -25.607 3.549 6.736 24 HB THR 4 HB THR 4 -26.118 1.070 6.924 25 HG1 THR 4 HG1 THR 4 -26.919 0.369 5.096 26 1HG2 THR 4 1HG2 THR 4 -27.366 3.027 8.080 27 2HG2 THR 4 2HG2 THR 4 -28.142 1.443 8.067 28 3HG2 THR 4 3HG2 THR 4 -28.659 2.689 6.930 29 H ASP 5 H ASP 5 -24.504 4.229 4.237 30 HA ASP 5 HA ASP 5 -23.139 1.897 3.108 31 1HB ASP 5 1HB ASP 5 -21.927 3.578 1.747 32 2HB ASP 5 2HB ASP 5 -22.656 4.870 2.701 33 H GLN 6 H GLN 6 -22.176 4.737 5.062 34 HA GLN 6 HA GLN 6 -19.467 3.805 5.499 35 1HB GLN 6 1HB GLN 6 -19.317 5.593 7.147 36 2HB GLN 6 2HB GLN 6 -21.071 5.749 7.191 37 1HG GLN 6 1HG GLN 6 -20.561 6.050 4.508 38 2HG GLN 6 2HG GLN 6 -19.134 6.797 5.226 39 1HE2 GLN 6 1HE2 GLN 6 -22.725 6.786 5.758 40 2HE2 GLN 6 2HE2 GLN 6 -22.818 8.448 6.095 41 H GLN 7 H GLN 7 -22.531 3.489 7.257 42 HA GLN 7 HA GLN 7 -21.375 2.263 9.612 43 1HB GLN 7 1HB GLN 7 -23.678 1.732 10.220 44 2HB GLN 7 2HB GLN 7 -24.220 2.052 8.573 45 1HG GLN 7 1HG GLN 7 -23.776 4.382 8.771 46 2HG GLN 7 2HG GLN 7 -22.797 4.153 10.219 47 1HE2 GLN 7 1HE2 GLN 7 -24.004 5.240 11.824 48 2HE2 GLN 7 2HE2 GLN 7 -25.637 4.924 12.162 49 H ALA 8 H ALA 8 -22.758 0.997 6.583 50 HA ALA 8 HA ALA 8 -22.689 -1.779 7.389 51 1HB ALA 8 1HB ALA 8 -22.886 -2.219 4.920 52 2HB ALA 8 2HB ALA 8 -22.739 -0.483 4.653 53 3HB ALA 8 3HB ALA 8 -24.113 -1.124 5.553 54 H GLU 9 H GLU 9 -20.112 0.339 6.688 55 HA GLU 9 HA GLU 9 -18.373 -1.957 5.885 56 1HB GLU 9 1HB GLU 9 -18.278 -0.180 4.225 57 2HB GLU 9 2HB GLU 9 -16.750 -0.215 5.101 58 1HG GLU 9 1HG GLU 9 -17.483 1.658 6.502 59 2HG GLU 9 2HG GLU 9 -19.053 1.663 5.703 60 H ALA 10 H ALA 10 -18.695 0.795 8.110 61 HA ALA 10 HA ALA 10 -16.245 0.285 9.553 62 1HB ALA 10 1HB ALA 10 -17.302 2.451 9.784 63 2HB ALA 10 2HB ALA 10 -17.372 1.657 11.356 64 3HB ALA 10 3HB ALA 10 -18.807 1.712 10.333 65 NH1 ARG 11 NH1 ARG 11 -22.138 -7.381 13.704 66 NH2 ARG 11 NH2 ARG 11 -23.310 -5.899 14.958 67 H ARG 11 H ARG 11 -19.495 -1.053 9.644 68 HA ARG 11 HA ARG 11 -19.302 -2.309 12.241 69 1HB ARG 11 1HB ARG 11 -20.937 -3.627 10.138 70 2HB ARG 11 2HB ARG 11 -21.336 -1.944 10.479 71 1HG ARG 11 1HG ARG 11 -22.625 -2.923 12.109 72 2HG ARG 11 2HG ARG 11 -21.106 -2.833 13.000 73 1HD ARG 11 1HD ARG 11 -20.703 -5.182 11.770 74 2HD ARG 11 2HD ARG 11 -22.465 -5.201 11.787 75 HE ARG 11 HE ARG 11 -20.973 -4.726 14.328 76 1HH1 ARG 11 1HH1 ARG 11 -23.903 -6.638 15.282 77 2HH1 ARG 11 2HH1 ARG 11 -23.462 -4.962 15.276 78 1HH2 ARG 11 1HH2 ARG 11 -21.395 -7.577 13.063 79 2HH2 ARG 11 2HH2 ARG 11 -22.729 -8.123 14.024 80 H ALA 12 H ALA 12 -18.771 -3.509 8.910 81 HA ALA 12 HA ALA 12 -17.877 -6.129 9.750 82 1HB ALA 12 1HB ALA 12 -17.430 -6.529 7.474 83 2HB ALA 12 2HB ALA 12 -17.083 -4.830 7.148 84 3HB ALA 12 3HB ALA 12 -18.745 -5.355 7.423 85 H PHE 13 H PHE 13 -16.346 -3.040 9.767 86 HA PHE 13 HA PHE 13 -13.629 -3.816 9.280 87 1HB PHE 13 1HB PHE 13 -14.448 -1.600 11.162 88 2HB PHE 13 2HB PHE 13 -14.644 -1.440 9.417 89 HD1 PHE 13 HD1 PHE 13 -12.317 -1.358 12.192 90 HD2 PHE 13 HD2 PHE 13 -12.614 -1.711 7.921 91 HE1 PHE 13 HE1 PHE 13 -9.916 -0.777 11.977 92 HE2 PHE 13 HE2 PHE 13 -10.213 -1.131 7.706 93 HZ PHE 13 HZ PHE 13 -8.864 -0.665 9.734 94 H LEU 14 H LEU 14 -15.520 -3.572 12.315 95 HA LEU 14 HA LEU 14 -13.294 -5.033 13.681 96 1HB LEU 14 1HB LEU 14 -13.564 -3.027 14.892 97 2HB LEU 14 2HB LEU 14 -14.502 -4.201 15.819 98 HG LEU 14 HG LEU 14 -16.399 -3.304 14.066 99 1HD1 LEU 14 1HD1 LEU 14 -15.953 -3.260 16.789 100 2HD1 LEU 14 2HD1 LEU 14 -17.409 -2.664 15.992 101 3HD1 LEU 14 3HD1 LEU 14 -16.108 -1.547 16.404 102 1HD2 LEU 14 1HD2 LEU 14 -14.712 -0.888 14.786 103 2HD2 LEU 14 2HD2 LEU 14 -16.199 -0.899 13.839 104 3HD2 LEU 14 3HD2 LEU 14 -14.733 -1.628 13.185 105 H SER 15 H SER 15 -13.704 -7.085 14.284 106 HA SER 15 HA SER 15 -16.372 -8.226 13.877 107 1HB SER 15 1HB SER 15 -15.270 -10.347 14.616 108 2HB SER 15 2HB SER 15 -13.798 -9.435 14.934 109 HG SER 15 HG SER 15 -13.592 -10.198 12.890 110 H GLU 16 H GLU 16 -16.973 -9.896 15.820 111 HA GLU 16 HA GLU 16 -17.895 -8.305 17.991 112 1HB GLU 16 1HB GLU 16 -17.444 -11.260 18.307 113 2HB GLU 16 2HB GLU 16 -18.638 -10.680 17.146 114 1HG GLU 16 1HG GLU 16 -20.019 -9.823 18.793 115 2HG GLU 16 2HG GLU 16 -18.682 -9.514 19.901 116 H GLU 17 H GLU 17 -14.834 -9.967 17.536 117 HA GLU 17 HA GLU 17 -14.036 -10.065 20.299 118 1HB GLU 17 1HB GLU 17 -11.709 -9.766 18.770 119 2HB GLU 17 2HB GLU 17 -12.840 -10.573 17.688 120 1HG GLU 17 1HG GLU 17 -12.607 -11.545 20.517 121 2HG GLU 17 2HG GLU 17 -11.345 -11.980 19.364 122 H MET 18 H MET 18 -13.415 -7.695 17.684 123 HA MET 18 HA MET 18 -11.972 -5.851 19.388 124 1HB MET 18 1HB MET 18 -13.344 -4.600 17.142 125 2HB MET 18 2HB MET 18 -12.492 -6.061 16.650 126 1HG MET 18 1HG MET 18 -11.173 -3.958 18.371 127 2HG MET 18 2HG MET 18 -11.152 -3.860 16.611 128 1HE MET 18 1HE MET 18 -7.808 -5.310 18.596 129 2HE MET 18 2HE MET 18 -9.216 -5.058 19.624 130 3HE MET 18 3HE MET 18 -8.770 -3.833 18.437 131 H ILE 19 H ILE 19 -15.326 -6.015 18.211 132 HA ILE 19 HA ILE 19 -16.368 -3.645 19.303 133 HB ILE 19 HB ILE 19 -17.676 -6.376 19.083 134 1HG1 ILE 19 1HG1 ILE 19 -16.800 -5.047 17.011 135 2HG1 ILE 19 2HG1 ILE 19 -18.157 -3.969 17.332 136 1HG2 ILE 19 1HG2 ILE 19 -19.808 -4.945 19.092 137 2HG2 ILE 19 2HG2 ILE 19 -18.809 -3.651 19.752 138 3HG2 ILE 19 3HG2 ILE 19 -19.003 -5.158 20.647 139 1HD1 ILE 19 1HD1 ILE 19 -18.195 -6.475 15.978 140 2HD1 ILE 19 2HD1 ILE 19 -19.562 -5.424 16.344 141 3HD1 ILE 19 3HD1 ILE 19 -19.085 -6.680 17.486 142 H ALA 20 H ALA 20 -15.721 -6.733 20.960 143 HA ALA 20 HA ALA 20 -17.008 -6.129 23.433 144 1HB ALA 20 1HB ALA 20 -15.952 -8.355 22.612 145 2HB ALA 20 2HB ALA 20 -15.842 -7.965 24.328 146 3HB ALA 20 3HB ALA 20 -14.450 -7.713 23.275 147 H GLU 21 H GLU 21 -13.593 -5.610 22.437 148 HA GLU 21 HA GLU 21 -12.785 -4.358 24.892 149 1HB GLU 21 1HB GLU 21 -11.546 -3.529 22.292 150 2HB GLU 21 2HB GLU 21 -11.387 -5.213 22.788 151 1HG GLU 21 1HG GLU 21 -9.651 -4.548 24.076 152 2HG GLU 21 2HG GLU 21 -10.837 -3.754 25.113 153 H PHE 22 H PHE 22 -14.183 -3.068 21.886 154 HA PHE 22 HA PHE 22 -13.948 -0.288 22.616 155 1HB PHE 22 1HB PHE 22 -15.631 0.104 20.853 156 2HB PHE 22 2HB PHE 22 -15.974 -1.621 20.785 157 HD1 PHE 22 HD1 PHE 22 -12.622 -0.028 21.193 158 HD2 PHE 22 HD2 PHE 22 -15.279 -2.147 18.561 159 HE1 PHE 22 HE1 PHE 22 -10.777 -0.324 19.568 160 HE2 PHE 22 HE2 PHE 22 -13.429 -2.440 16.939 161 HZ PHE 22 HZ PHE 22 -11.180 -1.529 17.441 162 H LYS 23 H LYS 23 -16.273 -2.825 23.381 163 HA LYS 23 HA LYS 23 -18.411 -1.171 24.318 164 1HB LYS 23 1HB LYS 23 -17.771 -3.833 25.564 165 2HB LYS 23 2HB LYS 23 -18.311 -3.750 23.887 166 1HG LYS 23 1HG LYS 23 -20.138 -2.115 25.052 167 2HG LYS 23 2HG LYS 23 -19.810 -3.210 26.395 168 1HD LYS 23 1HD LYS 23 -20.290 -4.355 23.661 169 2HD LYS 23 2HD LYS 23 -21.669 -3.810 24.616 170 1HE LYS 23 1HE LYS 23 -21.567 -5.922 25.485 171 2HE LYS 23 2HE LYS 23 -20.298 -5.229 26.494 172 1HZ LYS 23 1HZ LYS 23 -19.814 -6.522 23.865 173 2HZ LYS 23 2HZ LYS 23 -19.647 -7.310 25.360 174 3HZ LYS 23 3HZ LYS 23 -18.643 -5.996 24.974 175 H ALA 24 H ALA 24 -15.345 -2.073 25.797 176 HA ALA 24 HA ALA 24 -15.895 -1.713 28.533 177 1HB ALA 24 1HB ALA 24 -13.706 -2.461 27.760 178 2HB ALA 24 2HB ALA 24 -13.509 -1.004 28.736 179 3HB ALA 24 3HB ALA 24 -13.423 -0.906 26.977 180 H ALA 25 H ALA 25 -15.003 0.784 26.142 181 HA ALA 25 HA ALA 25 -15.253 2.973 28.023 182 1HB ALA 25 1HB ALA 25 -15.359 4.329 25.805 183 2HB ALA 25 2HB ALA 25 -15.025 2.782 25.026 184 3HB ALA 25 3HB ALA 25 -13.875 3.454 26.181 185 H PHE 26 H PHE 26 -17.522 1.233 26.012 186 HA PHE 26 HA PHE 26 -19.562 3.268 25.909 187 1HB PHE 26 1HB PHE 26 -20.240 0.350 25.832 188 2HB PHE 26 2HB PHE 26 -19.260 1.033 24.535 189 HD1 PHE 26 HD1 PHE 26 -22.559 0.424 25.609 190 HD2 PHE 26 HD2 PHE 26 -20.165 3.368 23.592 191 HE1 PHE 26 HE1 PHE 26 -24.599 1.367 24.560 192 HE2 PHE 26 HE2 PHE 26 -22.205 4.310 22.545 193 HZ PHE 26 HZ PHE 26 -24.421 3.310 23.029 194 H ASP 27 H ASP 27 -19.068 0.473 28.123 195 HA ASP 27 HA ASP 27 -21.496 0.928 29.583 196 1HB ASP 27 1HB ASP 27 -20.467 -1.230 29.765 197 2HB ASP 27 2HB ASP 27 -20.450 -0.499 31.366 198 H MET 28 H MET 28 -18.235 2.292 30.020 199 HA MET 28 HA MET 28 -18.791 3.410 32.625 200 1HB MET 28 1HB MET 28 -16.486 3.271 32.002 201 2HB MET 28 2HB MET 28 -16.885 4.981 32.087 202 1HG MET 28 1HG MET 28 -17.175 5.026 29.630 203 2HG MET 28 2HG MET 28 -16.728 3.323 29.558 204 1HE MET 28 1HE MET 28 -13.603 3.105 31.353 205 2HE MET 28 2HE MET 28 -13.513 2.765 29.627 206 3HE MET 28 3HE MET 28 -14.973 2.357 30.524 207 H PHE 29 H PHE 29 -19.041 4.728 29.324 208 HA PHE 29 HA PHE 29 -19.989 7.331 30.084 209 1HB PHE 29 1HB PHE 29 -21.135 7.060 27.689 210 2HB PHE 29 2HB PHE 29 -20.058 5.671 27.593 211 HD1 PHE 29 HD1 PHE 29 -18.043 6.083 26.522 212 HD2 PHE 29 HD2 PHE 29 -19.830 9.215 28.859 213 HE1 PHE 29 HE1 PHE 29 -16.148 7.581 25.965 214 HE2 PHE 29 HE2 PHE 29 -17.934 10.711 28.302 215 HZ PHE 29 HZ PHE 29 -16.093 9.894 26.854 216 H ASP 30 H ASP 30 -21.493 4.216 29.790 217 HA ASP 30 HA ASP 30 -24.247 5.229 29.954 218 1HB ASP 30 1HB ASP 30 -23.472 2.367 30.399 219 2HB ASP 30 2HB ASP 30 -23.334 3.054 28.782 220 H ALA 31 H ALA 31 -22.709 6.122 32.139 221 HA ALA 31 HA ALA 31 -22.811 4.501 34.476 222 1HB ALA 31 1HB ALA 31 -23.004 7.520 34.243 223 2HB ALA 31 2HB ALA 31 -21.511 6.589 34.357 224 3HB ALA 31 3HB ALA 31 -22.628 6.633 35.721 225 H ASP 32 H ASP 32 -25.258 6.623 33.014 226 HA ASP 32 HA ASP 32 -27.109 6.254 35.261 227 1HB ASP 32 1HB ASP 32 -27.161 8.373 34.048 228 2HB ASP 32 2HB ASP 32 -28.700 7.542 33.840 229 H GLY 33 H GLY 33 -26.742 4.947 31.959 230 1HA GLY 33 1HA GLY 33 -29.015 3.091 32.549 231 2HA GLY 33 2HA GLY 33 -27.486 2.485 31.916 232 H GLY 34 H GLY 34 -29.018 1.678 30.174 233 1HA GLY 34 1HA GLY 34 -29.553 3.817 28.147 234 2HA GLY 34 2HA GLY 34 -30.527 2.355 28.296 235 H GLY 35 H GLY 35 -29.794 2.431 25.865 236 1HA GLY 35 1HA GLY 35 -28.671 0.607 24.587 237 2HA GLY 35 2HA GLY 35 -27.267 0.837 25.630 238 H ASP 36 H ASP 36 -27.480 3.788 25.554 239 HA ASP 36 HA ASP 36 -25.959 4.245 23.120 240 1HB ASP 36 1HB ASP 36 -27.816 4.641 21.839 241 2HB ASP 36 2HB ASP 36 -27.709 6.226 22.591 242 H ILE 37 H ILE 37 -25.277 6.578 22.979 243 HA ILE 37 HA ILE 37 -24.990 7.690 25.738 244 HB ILE 37 HB ILE 37 -23.412 8.501 23.285 245 1HG1 ILE 37 1HG1 ILE 37 -21.645 6.936 24.111 246 2HG1 ILE 37 2HG1 ILE 37 -23.092 6.093 23.563 247 1HG2 ILE 37 1HG2 ILE 37 -23.094 10.082 24.997 248 2HG2 ILE 37 2HG2 ILE 37 -21.727 8.985 25.194 249 3HG2 ILE 37 3HG2 ILE 37 -23.125 8.854 26.262 250 1HD1 ILE 37 1HD1 ILE 37 -22.808 6.859 26.462 251 2HD1 ILE 37 2HD1 ILE 37 -22.008 5.411 25.850 252 3HD1 ILE 37 3HD1 ILE 37 -23.763 5.561 25.746 253 H SER 38 H SER 38 -25.307 10.007 26.032 254 HA SER 38 HA SER 38 -26.773 11.381 23.830 255 1HB SER 38 1HB SER 38 -27.790 11.661 26.640 256 2HB SER 38 2HB SER 38 -28.243 10.231 25.715 257 HG SER 38 HG SER 38 -29.715 11.506 24.940 258 H THR 39 H THR 39 -27.206 13.797 24.673 259 HA THR 39 HA THR 39 -24.620 14.976 25.120 260 HB THR 39 HB THR 39 -26.065 17.092 25.565 261 HG1 THR 39 HG1 THR 39 -28.117 15.673 24.317 262 1HG2 THR 39 1HG2 THR 39 -24.938 16.396 23.402 263 2HG2 THR 39 2HG2 THR 39 -26.363 17.415 23.210 264 3HG2 THR 39 3HG2 THR 39 -26.477 15.680 22.922 265 H LYS 40 H LYS 40 -27.518 15.041 27.249 266 HA LYS 40 HA LYS 40 -26.125 16.028 29.535 267 1HB LYS 40 1HB LYS 40 -28.463 16.203 29.700 268 2HB LYS 40 2HB LYS 40 -28.068 14.916 30.831 269 1HG LYS 40 1HG LYS 40 -28.518 13.815 28.188 270 2HG LYS 40 2HG LYS 40 -29.896 14.782 28.697 271 1HD LYS 40 1HD LYS 40 -28.689 12.904 30.689 272 2HD LYS 40 2HD LYS 40 -29.671 12.219 29.395 273 1HE LYS 40 1HE LYS 40 -31.361 12.660 30.893 274 2HE LYS 40 2HE LYS 40 -31.291 14.244 30.123 275 1HZ LYS 40 1HZ LYS 40 -29.958 15.086 31.860 276 2HZ LYS 40 2HZ LYS 40 -29.693 13.542 32.521 277 3HZ LYS 40 3HZ LYS 40 -31.233 14.255 32.609 278 H GLU 41 H GLU 41 -26.660 12.704 28.412 279 HA GLU 41 HA GLU 41 -25.713 11.327 30.722 280 1HB GLU 41 1HB GLU 41 -25.048 9.548 28.945 281 2HB GLU 41 2HB GLU 41 -25.786 10.650 27.784 282 1HG GLU 41 1HG GLU 41 -27.909 10.552 28.964 283 2HG GLU 41 2HG GLU 41 -27.187 9.598 30.260 284 H LEU 42 H LEU 42 -23.974 12.642 27.897 285 HA LEU 42 HA LEU 42 -21.386 11.618 28.567 286 1HB LEU 42 1HB LEU 42 -20.609 13.647 27.162 287 2HB LEU 42 2HB LEU 42 -22.325 13.971 26.924 288 HG LEU 42 HG LEU 42 -22.483 11.486 26.205 289 1HD1 LEU 42 1HD1 LEU 42 -20.956 13.484 24.506 290 2HD1 LEU 42 2HD1 LEU 42 -22.710 13.380 24.647 291 3HD1 LEU 42 3HD1 LEU 42 -21.806 12.065 23.896 292 1HD2 LEU 42 1HD2 LEU 42 -20.413 10.565 26.826 293 2HD2 LEU 42 2HD2 LEU 42 -19.510 11.974 26.268 294 3HD2 LEU 42 3HD2 LEU 42 -20.200 10.849 25.098 295 H GLY 43 H GLY 43 -22.929 14.764 29.331 296 1HA GLY 43 1HA GLY 43 -22.388 16.368 30.957 297 2HA GLY 43 2HA GLY 43 -20.708 15.895 30.722 298 H THR 44 H THR 44 -23.368 13.819 31.849 299 HA THR 44 HA THR 44 -22.794 13.975 34.647 300 HB THR 44 HB THR 44 -23.892 11.544 33.205 301 HG1 THR 44 HG1 THR 44 -25.446 12.816 32.639 302 1HG2 THR 44 1HG2 THR 44 -24.771 10.913 35.256 303 2HG2 THR 44 2HG2 THR 44 -24.797 12.564 35.872 304 3HG2 THR 44 3HG2 THR 44 -23.272 11.685 35.775 305 H VAL 45 H VAL 45 -21.513 11.859 32.085 306 HA VAL 45 HA VAL 45 -19.975 10.185 33.867 307 HB VAL 45 HB VAL 45 -19.531 10.751 30.916 308 1HG1 VAL 45 1HG1 VAL 45 -17.625 9.672 32.191 309 2HG1 VAL 45 2HG1 VAL 45 -18.283 8.686 30.886 310 3HG1 VAL 45 3HG1 VAL 45 -18.717 8.337 32.559 311 1HG2 VAL 45 1HG2 VAL 45 -21.091 9.112 30.420 312 2HG2 VAL 45 2HG2 VAL 45 -21.813 9.763 31.890 313 3HG2 VAL 45 3HG2 VAL 45 -20.861 8.280 31.958 314 H MET 46 H MET 46 -19.230 13.192 32.090 315 HA MET 46 HA MET 46 -16.412 13.186 32.688 316 1HB MET 46 1HB MET 46 -16.429 15.516 32.047 317 2HB MET 46 2HB MET 46 -18.166 15.630 32.318 318 1HG MET 46 1HG MET 46 -18.504 15.046 30.181 319 2HG MET 46 2HG MET 46 -17.761 13.482 30.506 320 1HE MET 46 1HE MET 46 -17.619 14.065 27.832 321 2HE MET 46 2HE MET 46 -16.328 15.033 27.125 322 3HE MET 46 3HE MET 46 -17.716 15.831 27.857 323 NH1 ARG 47 NH1 ARG 47 -22.095 20.991 35.293 324 NH2 ARG 47 NH2 ARG 47 -22.906 20.180 37.250 325 H ARG 47 H ARG 47 -19.131 14.930 34.221 326 HA ARG 47 HA ARG 47 -17.594 15.896 36.444 327 1HB ARG 47 1HB ARG 47 -20.106 15.857 37.447 328 2HB ARG 47 2HB ARG 47 -20.468 15.728 35.723 329 1HG ARG 47 1HG ARG 47 -18.632 17.655 35.576 330 2HG ARG 47 2HG ARG 47 -19.147 17.942 37.235 331 1HD ARG 47 1HD ARG 47 -21.553 17.621 35.917 332 2HD ARG 47 2HD ARG 47 -20.571 18.458 34.714 333 HE ARG 47 HE ARG 47 -20.167 19.846 37.121 334 1HH1 ARG 47 1HH1 ARG 47 -22.928 21.531 35.168 335 2HH1 ARG 47 2HH1 ARG 47 -21.367 21.032 34.607 336 1HH2 ARG 47 1HH2 ARG 47 -22.796 19.600 38.058 337 2HH2 ARG 47 2HH2 ARG 47 -23.741 20.717 37.130 338 H MET 48 H MET 48 -18.957 12.750 35.779 339 HA MET 48 HA MET 48 -19.315 11.816 38.464 340 1HB MET 48 1HB MET 48 -18.490 9.571 37.136 341 2HB MET 48 2HB MET 48 -18.992 10.588 35.785 342 1HG MET 48 1HG MET 48 -21.021 9.604 36.314 343 2HG MET 48 2HG MET 48 -21.097 11.024 37.357 344 1HE MET 48 1HE MET 48 -20.794 11.129 39.758 345 2HE MET 48 2HE MET 48 -21.448 9.817 40.735 346 3HE MET 48 3HE MET 48 -22.399 10.476 39.408 347 H LEU 49 H LEU 49 -16.470 11.980 36.344 348 HA LEU 49 HA LEU 49 -14.718 10.709 38.322 349 1HB LEU 49 1HB LEU 49 -13.932 12.265 35.841 350 2HB LEU 49 2HB LEU 49 -14.378 10.560 35.816 351 HG LEU 49 HG LEU 49 -12.380 11.225 37.873 352 1HD1 LEU 49 1HD1 LEU 49 -12.316 9.242 35.582 353 2HD1 LEU 49 2HD1 LEU 49 -13.113 8.929 37.124 354 3HD1 LEU 49 3HD1 LEU 49 -11.369 9.184 37.068 355 1HD2 LEU 49 1HD2 LEU 49 -10.550 11.296 36.061 356 2HD2 LEU 49 2HD2 LEU 49 -11.479 12.774 36.307 357 3HD2 LEU 49 3HD2 LEU 49 -11.841 11.722 34.938 358 H GLY 50 H GLY 50 -15.606 13.995 37.346 359 1HA GLY 50 1HA GLY 50 -13.641 15.065 39.331 360 2HA GLY 50 2HA GLY 50 -15.325 15.579 39.364 361 H GLN 51 H GLN 51 -14.596 15.160 36.130 362 HA GLN 51 HA GLN 51 -13.247 17.755 35.747 363 1HB GLN 51 1HB GLN 51 -14.398 16.131 33.500 364 2HB GLN 51 2HB GLN 51 -12.960 15.542 34.333 365 1HG GLN 51 1HG GLN 51 -11.644 17.281 33.566 366 2HG GLN 51 2HG GLN 51 -12.997 18.411 33.493 367 1HE2 GLN 51 1HE2 GLN 51 -14.466 18.236 31.588 368 2HE2 GLN 51 2HE2 GLN 51 -13.932 17.471 30.171 369 H ASN 52 H ASN 52 -14.239 19.548 34.743 370 HA ASN 52 HA ASN 52 -17.223 19.414 34.523 371 1HB ASN 52 1HB ASN 52 -16.933 21.985 35.099 372 2HB ASN 52 2HB ASN 52 -15.425 21.434 35.827 373 1HD2 ASN 52 1HD2 ASN 52 -18.270 22.306 36.907 374 2HD2 ASN 52 2HD2 ASN 52 -18.596 21.119 38.074 375 HA PRO 53 HA PRO 53 -15.545 20.734 30.460 376 1HB PRO 53 1HB PRO 53 -15.716 18.601 29.611 377 2HB PRO 53 2HB PRO 53 -17.275 19.175 29.001 378 1HG PRO 53 1HG PRO 53 -16.988 17.022 30.714 379 2HG PRO 53 2HG PRO 53 -18.462 17.998 30.609 380 1HD PRO 53 1HD PRO 53 -16.455 17.874 32.771 381 2HD PRO 53 2HD PRO 53 -18.093 18.560 32.809 382 H THR 54 H THR 54 -17.103 21.377 28.428 383 HA THR 54 HA THR 54 -19.076 23.270 29.560 384 HB THR 54 HB THR 54 -18.635 23.221 26.632 385 HG1 THR 54 HG1 THR 54 -16.557 23.335 26.721 386 1HG2 THR 54 1HG2 THR 54 -18.406 25.657 27.047 387 2HG2 THR 54 2HG2 THR 54 -18.514 25.349 28.780 388 3HG2 THR 54 3HG2 THR 54 -19.890 24.997 27.734 389 H LYS 55 H LYS 55 -21.272 23.181 29.090 390 HA LYS 55 HA LYS 55 -22.385 20.625 28.310 391 1HB LYS 55 1HB LYS 55 -24.575 21.977 28.318 392 2HB LYS 55 2HB LYS 55 -23.591 23.349 28.829 393 1HG LYS 55 1HG LYS 55 -23.243 22.483 30.920 394 2HG LYS 55 2HG LYS 55 -23.146 20.825 30.326 395 1HD LYS 55 1HD LYS 55 -25.325 20.452 30.793 396 2HD LYS 55 2HD LYS 55 -25.819 21.926 29.961 397 1HE LYS 55 1HE LYS 55 -24.500 22.155 32.646 398 2HE LYS 55 2HE LYS 55 -26.191 21.666 32.571 399 1HZ LYS 55 1HZ LYS 55 -26.014 24.051 32.752 400 2HZ LYS 55 2HZ LYS 55 -26.649 23.641 31.231 401 3HZ LYS 55 3HZ LYS 55 -25.026 24.124 31.376 402 H GLU 56 H GLU 56 -22.247 23.824 26.710 403 HA GLU 56 HA GLU 56 -23.560 22.976 24.295 404 1HB GLU 56 1HB GLU 56 -23.317 25.361 24.927 405 2HB GLU 56 2HB GLU 56 -22.676 25.049 23.316 406 1HG GLU 56 1HG GLU 56 -20.540 25.538 23.940 407 2HG GLU 56 2HG GLU 56 -20.707 24.729 25.498 408 H GLU 57 H GLU 57 -20.242 22.729 25.424 409 HA GLU 57 HA GLU 57 -19.046 22.172 22.843 410 1HB GLU 57 1HB GLU 57 -18.051 21.287 25.570 411 2HB GLU 57 2HB GLU 57 -17.793 22.906 24.922 412 1HG GLU 57 1HG GLU 57 -16.716 21.820 22.903 413 2HG GLU 57 2HG GLU 57 -16.800 20.285 23.769 414 H LEU 58 H LEU 58 -20.380 20.193 25.473 415 HA LEU 58 HA LEU 58 -19.734 17.648 24.292 416 1HB LEU 58 1HB LEU 58 -21.923 17.132 25.854 417 2HB LEU 58 2HB LEU 58 -21.361 18.650 26.552 418 HG LEU 58 HG LEU 58 -19.074 17.665 26.754 419 1HD1 LEU 58 1HD1 LEU 58 -21.072 15.824 28.078 420 2HD1 LEU 58 2HD1 LEU 58 -20.918 17.513 28.559 421 3HD1 LEU 58 3HD1 LEU 58 -19.542 16.422 28.719 422 1HD2 LEU 58 1HD2 LEU 58 -18.769 15.935 25.283 423 2HD2 LEU 58 2HD2 LEU 58 -20.465 15.455 25.337 424 3HD2 LEU 58 3HD2 LEU 58 -19.369 14.968 26.630 425 H ASP 59 H ASP 59 -22.506 19.815 24.064 426 HA ASP 59 HA ASP 59 -24.240 18.048 22.605 427 1HB ASP 59 1HB ASP 59 -24.122 21.080 22.491 428 2HB ASP 59 2HB ASP 59 -24.982 20.165 23.729 429 H ALA 60 H ALA 60 -21.668 20.290 21.650 430 HA ALA 60 HA ALA 60 -22.158 20.077 18.797 431 1HB ALA 60 1HB ALA 60 -19.822 21.032 18.628 432 2HB ALA 60 2HB ALA 60 -19.727 20.951 20.387 433 3HB ALA 60 3HB ALA 60 -20.923 21.993 19.615 434 H ILE 61 H ILE 61 -20.212 18.319 21.147 435 HA ILE 61 HA ILE 61 -18.561 16.809 19.412 436 HB ILE 61 HB ILE 61 -19.706 16.372 22.163 437 1HG1 ILE 61 1HG1 ILE 61 -17.686 17.862 21.537 438 2HG1 ILE 61 2HG1 ILE 61 -16.824 16.351 21.250 439 1HG2 ILE 61 1HG2 ILE 61 -18.226 14.296 22.271 440 2HG2 ILE 61 2HG2 ILE 61 -18.157 14.353 20.510 441 3HG2 ILE 61 3HG2 ILE 61 -19.704 14.116 21.323 442 1HD1 ILE 61 1HD1 ILE 61 -16.327 16.670 23.489 443 2HD1 ILE 61 2HD1 ILE 61 -17.820 15.745 23.645 444 3HD1 ILE 61 3HD1 ILE 61 -17.849 17.500 23.816 445 H ILE 62 H ILE 62 -21.958 16.330 20.350 446 HA ILE 62 HA ILE 62 -22.095 13.767 18.891 447 HB ILE 62 HB ILE 62 -24.364 15.358 20.129 448 1HG1 ILE 62 1HG1 ILE 62 -22.612 14.813 21.807 449 2HG1 ILE 62 2HG1 ILE 62 -22.694 13.120 21.328 450 1HG2 ILE 62 1HG2 ILE 62 -25.325 12.969 20.245 451 2HG2 ILE 62 2HG2 ILE 62 -24.041 12.523 19.124 452 3HG2 ILE 62 3HG2 ILE 62 -25.248 13.716 18.651 453 1HD1 ILE 62 1HD1 ILE 62 -24.193 14.270 23.337 454 2HD1 ILE 62 2HD1 ILE 62 -24.603 12.769 22.508 455 3HD1 ILE 62 3HD1 ILE 62 -25.315 14.292 21.977 456 H GLU 63 H GLU 63 -23.175 17.129 18.512 457 HA GLU 63 HA GLU 63 -24.858 16.885 16.269 458 1HB GLU 63 1HB GLU 63 -23.150 19.201 15.980 459 2HB GLU 63 2HB GLU 63 -23.598 18.991 17.672 460 1HG GLU 63 1HG GLU 63 -25.985 18.802 16.980 461 2HG GLU 63 2HG GLU 63 -25.501 19.112 15.312 462 H GLU 64 H GLU 64 -21.291 17.154 16.340 463 HA GLU 64 HA GLU 64 -20.955 17.166 13.480 464 1HB GLU 64 1HB GLU 64 -18.756 15.928 14.963 465 2HB GLU 64 2HB GLU 64 -19.283 17.447 15.686 466 1HG GLU 64 1HG GLU 64 -18.848 18.668 13.704 467 2HG GLU 64 2HG GLU 64 -18.798 17.208 12.715 468 H VAL 65 H VAL 65 -21.084 14.557 15.891 469 HA VAL 65 HA VAL 65 -20.377 12.445 14.040 470 HB VAL 65 HB VAL 65 -21.923 12.268 16.647 471 1HG1 VAL 65 1HG1 VAL 65 -22.109 10.252 15.225 472 2HG1 VAL 65 2HG1 VAL 65 -21.127 9.930 16.653 473 3HG1 VAL 65 3HG1 VAL 65 -20.353 10.186 15.090 474 1HG2 VAL 65 1HG2 VAL 65 -18.981 11.712 16.259 475 2HG2 VAL 65 2HG2 VAL 65 -19.853 12.028 17.759 476 3HG2 VAL 65 3HG2 VAL 65 -19.551 13.340 16.622 477 H ASP 66 H ASP 66 -23.393 14.054 14.866 478 HA ASP 66 HA ASP 66 -25.162 12.064 13.748 479 1HB ASP 66 1HB ASP 66 -26.865 13.877 13.838 480 2HB ASP 66 2HB ASP 66 -25.596 15.029 14.246 481 H GLU 67 H GLU 67 -23.720 11.819 11.774 482 HA GLU 67 HA GLU 67 -23.489 13.791 9.742 483 1HB GLU 67 1HB GLU 67 -23.603 11.464 8.318 484 2HB GLU 67 2HB GLU 67 -23.236 10.846 9.925 485 1HG GLU 67 1HG GLU 67 -21.533 13.010 9.726 486 2HG GLU 67 2HG GLU 67 -21.545 12.390 8.075 487 H ASP 68 H ASP 68 -25.960 11.229 10.158 488 HA ASP 68 HA ASP 68 -27.575 12.358 7.964 489 1HB ASP 68 1HB ASP 68 -28.507 10.191 9.838 490 2HB ASP 68 2HB ASP 68 -27.285 9.835 8.617 491 H GLY 69 H GLY 69 -27.713 12.095 11.516 492 1HA GLY 69 1HA GLY 69 -30.087 13.918 11.495 493 2HA GLY 69 2HA GLY 69 -28.711 14.218 12.559 494 H SER 70 H SER 70 -28.108 12.087 13.861 495 HA SER 70 HA SER 70 -30.474 10.483 14.607 496 1HB SER 70 1HB SER 70 -27.839 10.297 16.028 497 2HB SER 70 2HB SER 70 -27.954 9.706 14.374 498 HG SER 70 HG SER 70 -29.335 8.183 14.961 499 H GLY 71 H GLY 71 -28.372 12.972 16.020 500 1HA GLY 71 1HA GLY 71 -30.427 13.433 18.113 501 2HA GLY 71 2HA GLY 71 -29.151 14.566 17.659 502 H THR 72 H THR 72 -29.321 11.172 18.805 503 HA THR 72 HA THR 72 -27.325 11.866 20.921 504 HB THR 72 HB THR 72 -28.168 9.907 22.133 505 HG1 THR 72 HG1 THR 72 -30.084 9.603 20.076 506 1HG2 THR 72 1HG2 THR 72 -30.270 10.781 22.777 507 2HG2 THR 72 2HG2 THR 72 -30.595 11.412 21.161 508 3HG2 THR 72 3HG2 THR 72 -29.378 12.181 22.179 509 H ILE 73 H ILE 73 -25.977 9.735 21.510 510 HA ILE 73 HA ILE 73 -24.851 8.771 18.921 511 HB ILE 73 HB ILE 73 -23.523 8.282 21.566 512 1HG1 ILE 73 1HG1 ILE 73 -24.159 10.698 21.542 513 2HG1 ILE 73 2HG1 ILE 73 -23.342 10.875 19.992 514 1HG2 ILE 73 1HG2 ILE 73 -21.501 8.498 20.150 515 2HG2 ILE 73 2HG2 ILE 73 -22.525 8.858 18.761 516 3HG2 ILE 73 3HG2 ILE 73 -22.605 7.272 19.527 517 1HD1 ILE 73 1HD1 ILE 73 -21.784 11.591 21.676 518 2HD1 ILE 73 2HD1 ILE 73 -21.241 10.001 21.142 519 3HD1 ILE 73 3HD1 ILE 73 -22.109 10.170 22.669 520 H ASP 74 H ASP 74 -24.779 6.614 18.449 521 HA ASP 74 HA ASP 74 -26.239 4.766 20.279 522 1HB ASP 74 1HB ASP 74 -26.456 3.341 18.216 523 2HB ASP 74 2HB ASP 74 -25.665 4.624 17.307 524 H PHE 75 H PHE 75 -25.397 2.360 19.877 525 HA PHE 75 HA PHE 75 -22.637 2.295 20.770 526 1HB PHE 75 1HB PHE 75 -24.342 -0.026 19.810 527 2HB PHE 75 2HB PHE 75 -24.359 0.598 21.459 528 HD1 PHE 75 HD1 PHE 75 -21.612 1.137 22.123 529 HD2 PHE 75 HD2 PHE 75 -23.212 -2.071 19.754 530 HE1 PHE 75 HE1 PHE 75 -19.630 -0.250 22.663 531 HE2 PHE 75 HE2 PHE 75 -21.229 -3.457 20.295 532 HZ PHE 75 HZ PHE 75 -19.438 -2.547 21.749 533 H GLU 76 H GLU 76 -24.285 1.296 17.753 534 HA GLU 76 HA GLU 76 -21.848 0.580 16.384 535 1HB GLU 76 1HB GLU 76 -23.923 -0.281 15.508 536 2HB GLU 76 2HB GLU 76 -23.267 0.818 14.297 537 1HG GLU 76 1HG GLU 76 -24.736 2.620 15.508 538 2HG GLU 76 2HG GLU 76 -25.600 1.227 16.156 539 H GLU 77 H GLU 77 -23.368 3.618 17.106 540 HA GLU 77 HA GLU 77 -22.057 5.187 15.023 541 1HB GLU 77 1HB GLU 77 -22.690 6.573 17.545 542 2HB GLU 77 2HB GLU 77 -24.059 5.680 16.888 543 1HG GLU 77 1HG GLU 77 -23.647 6.805 14.679 544 2HG GLU 77 2HG GLU 77 -22.411 7.788 15.464 545 H PHE 78 H PHE 78 -21.450 4.170 18.318 546 HA PHE 78 HA PHE 78 -19.016 5.652 18.750 547 1HB PHE 78 1HB PHE 78 -20.247 3.197 20.027 548 2HB PHE 78 2HB PHE 78 -20.298 4.848 20.634 549 HD1 PHE 78 HD1 PHE 78 -18.032 5.974 21.211 550 HD2 PHE 78 HD2 PHE 78 -18.514 1.741 20.662 551 HE1 PHE 78 HE1 PHE 78 -15.918 5.572 22.444 552 HE2 PHE 78 HE2 PHE 78 -16.402 1.342 21.894 553 HZ PHE 78 HZ PHE 78 -15.103 3.257 22.786 554 H LEU 79 H LEU 79 -19.823 2.476 17.394 555 HA LEU 79 HA LEU 79 -17.104 1.481 17.309 556 1HB LEU 79 1HB LEU 79 -18.002 -0.213 15.750 557 2HB LEU 79 2HB LEU 79 -19.500 0.704 15.625 558 HG LEU 79 HG LEU 79 -19.834 0.427 18.084 559 1HD1 LEU 79 1HD1 LEU 79 -19.945 -2.248 17.862 560 2HD1 LEU 79 2HD1 LEU 79 -19.687 -1.846 16.164 561 3HD1 LEU 79 3HD1 LEU 79 -21.079 -1.188 17.025 562 1HD2 LEU 79 1HD2 LEU 79 -18.289 -1.648 18.884 563 2HD2 LEU 79 2HD2 LEU 79 -17.843 0.036 19.161 564 3HD2 LEU 79 3HD2 LEU 79 -17.160 -0.845 17.795 565 H VAL 80 H VAL 80 -19.227 2.976 14.816 566 HA VAL 80 HA VAL 80 -17.259 2.988 12.739 567 HB VAL 80 HB VAL 80 -19.699 3.405 12.372 568 1HG1 VAL 80 1HG1 VAL 80 -19.035 6.061 13.664 569 2HG1 VAL 80 2HG1 VAL 80 -20.216 4.872 14.212 570 3HG1 VAL 80 3HG1 VAL 80 -20.495 5.767 12.721 571 1HG2 VAL 80 1HG2 VAL 80 -17.859 4.099 10.750 572 2HG2 VAL 80 2HG2 VAL 80 -18.028 5.732 11.393 573 3HG2 VAL 80 3HG2 VAL 80 -19.387 4.960 10.575 574 H MET 81 H MET 81 -17.856 5.130 15.459 575 HA MET 81 HA MET 81 -16.182 7.317 14.637 576 1HB MET 81 1HB MET 81 -15.955 7.410 17.329 577 2HB MET 81 2HB MET 81 -17.356 6.347 17.203 578 1HG MET 81 1HG MET 81 -18.680 7.987 16.239 579 2HG MET 81 2HG MET 81 -17.304 8.827 15.527 580 1HE MET 81 1HE MET 81 -18.670 8.929 19.914 581 2HE MET 81 2HE MET 81 -17.869 7.520 19.222 582 3HE MET 81 3HE MET 81 -19.421 8.050 18.575 583 H MET 82 H MET 82 -15.558 4.293 16.418 584 HA MET 82 HA MET 82 -12.737 4.860 16.856 585 1HB MET 82 1HB MET 82 -13.634 2.030 16.694 586 2HB MET 82 2HB MET 82 -14.460 3.025 17.893 587 1HG MET 82 1HG MET 82 -11.469 3.170 17.718 588 2HG MET 82 2HG MET 82 -12.204 1.771 18.501 589 1HE MET 82 1HE MET 82 -10.855 2.499 20.681 590 2HE MET 82 2HE MET 82 -10.932 4.114 21.379 591 3HE MET 82 3HE MET 82 -10.239 3.889 19.777 592 H VAL 83 H VAL 83 -14.661 3.435 14.293 593 HA VAL 83 HA VAL 83 -12.533 2.179 12.821 594 HB VAL 83 HB VAL 83 -15.380 2.987 12.314 595 1HG1 VAL 83 1HG1 VAL 83 -15.092 2.097 9.941 596 2HG1 VAL 83 2HG1 VAL 83 -13.354 2.305 10.162 597 3HG1 VAL 83 3HG1 VAL 83 -14.426 3.704 10.231 598 1HG2 VAL 83 1HG2 VAL 83 -13.710 0.482 12.301 599 2HG2 VAL 83 2HG2 VAL 83 -15.271 0.511 11.480 600 3HG2 VAL 83 3HG2 VAL 83 -15.179 0.837 13.211 601 NH1 ARG 84 NH1 ARG 84 -15.674 11.722 14.308 602 NH2 ARG 84 NH2 ARG 84 -13.408 11.851 14.328 603 H ARG 84 H ARG 84 -13.787 5.486 12.956 604 HA ARG 84 HA ARG 84 -11.980 6.267 10.714 605 1HB ARG 84 1HB ARG 84 -14.277 7.036 10.466 606 2HB ARG 84 2HB ARG 84 -13.233 8.424 10.764 607 1HG ARG 84 1HG ARG 84 -13.998 7.550 13.314 608 2HG ARG 84 2HG ARG 84 -15.462 7.421 12.344 609 1HD ARG 84 1HD ARG 84 -15.679 9.671 12.199 610 2HD ARG 84 2HD ARG 84 -13.969 9.890 11.826 611 HE ARG 84 HE ARG 84 -14.211 9.232 14.592 612 1HH1 ARG 84 1HH1 ARG 84 -13.463 12.825 14.547 613 2HH1 ARG 84 2HH1 ARG 84 -12.516 11.411 14.225 614 1HH2 ARG 84 1HH2 ARG 84 -16.509 11.184 14.190 615 2HH2 ARG 84 2HH2 ARG 84 -15.734 12.696 14.526 616 H GLN 85 H GLN 85 -11.543 5.820 13.848 617 HA GLN 85 HA GLN 85 -10.149 8.397 14.384 618 1HB GLN 85 1HB GLN 85 -9.898 7.055 16.705 619 2HB GLN 85 2HB GLN 85 -11.344 6.258 16.085 620 1HG GLN 85 1HG GLN 85 -12.331 8.550 15.691 621 2HG GLN 85 2HG GLN 85 -10.939 9.229 16.539 622 1HE2 GLN 85 1HE2 GLN 85 -14.097 8.340 17.066 623 2HE2 GLN 85 2HE2 GLN 85 -14.010 7.951 18.715 624 H MET 86 H MET 86 -9.678 4.911 14.021 625 HA MET 86 HA MET 86 -6.854 4.981 14.754 626 1HB MET 86 1HB MET 86 -8.064 2.809 13.065 627 2HB MET 86 2HB MET 86 -8.545 2.965 14.756 628 1HG MET 86 1HG MET 86 -5.622 3.041 14.128 629 2HG MET 86 2HG MET 86 -6.440 1.482 14.033 630 1HE MET 86 1HE MET 86 -6.471 0.066 17.034 631 2HE MET 86 2HE MET 86 -7.163 0.220 15.422 632 3HE MET 86 3HE MET 86 -8.103 0.714 16.828 633 H LYS 87 H LYS 87 -8.540 6.024 11.990 634 HA LYS 87 HA LYS 87 -6.379 5.360 10.089 635 1HB LYS 87 1HB LYS 87 -8.689 5.271 9.284 636 2HB LYS 87 2HB LYS 87 -7.814 6.546 8.437 637 1HG LYS 87 1HG LYS 87 -8.804 7.902 10.616 638 2HG LYS 87 2HG LYS 87 -10.093 6.741 10.304 639 1HD LYS 87 1HD LYS 87 -10.374 7.519 8.061 640 2HD LYS 87 2HD LYS 87 -8.868 8.435 8.115 641 1HE LYS 87 1HE LYS 87 -9.923 9.794 10.004 642 2HE LYS 87 2HE LYS 87 -11.449 9.015 9.589 643 1HZ LYS 87 1HZ LYS 87 -11.216 11.128 8.456 644 2HZ LYS 87 2HZ LYS 87 -11.219 9.854 7.331 645 3HZ LYS 87 3HZ LYS 87 -9.762 10.622 7.747 646 H GLU 88 H GLU 88 -5.695 7.115 12.363 647 HA GLU 88 HA GLU 88 -5.509 9.837 11.321 648 1HB GLU 88 1HB GLU 88 -3.773 8.888 13.564 649 2HB GLU 88 2HB GLU 88 -5.516 8.922 13.829 650 1HG GLU 88 1HG GLU 88 -5.445 11.327 12.933 651 2HG GLU 88 2HG GLU 88 -3.692 11.225 13.102 652 H ASP 89 H ASP 89 -3.184 7.202 11.946 653 HA ASP 89 HA ASP 89 -1.102 8.640 10.414 654 1HB ASP 89 1HB ASP 89 -0.877 5.866 11.597 655 2HB ASP 89 2HB ASP 89 -0.671 7.317 12.577 656 H ALA 90 H ALA 90 -2.851 5.513 10.248 657 HA ALA 90 HA ALA 90 -1.753 4.880 7.621 658 1HB ALA 90 1HB ALA 90 -2.529 3.183 9.359 659 2HB ALA 90 2HB ALA 90 -3.118 2.912 7.719 660 3HB ALA 90 3HB ALA 90 -4.181 3.629 8.930 661 H LYS 91 H LYS 91 -2.361 6.814 6.428 662 HA LYS 91 HA LYS 91 -5.138 7.597 6.110 663 1HB LYS 91 1HB LYS 91 -4.089 8.763 4.001 664 2HB LYS 91 2HB LYS 91 -2.556 8.275 4.722 665 1HG LYS 91 1HG LYS 91 -4.402 9.478 6.661 666 2HG LYS 91 2HG LYS 91 -3.972 10.576 5.350 667 1HD LYS 91 1HD LYS 91 -1.587 10.185 5.774 668 2HD LYS 91 2HD LYS 91 -1.987 9.021 7.038 669 1HE LYS 91 1HE LYS 91 -1.717 10.881 8.367 670 2HE LYS 91 2HE LYS 91 -3.411 11.119 7.939 671 1HZ LYS 91 1HZ LYS 91 -2.114 13.128 7.589 672 2HZ LYS 91 2HZ LYS 91 -2.722 12.540 6.116 673 3HZ LYS 91 3HZ LYS 91 -1.088 12.307 6.518 674 H GLY 92 H GLY 92 -2.988 5.340 4.480 675 1HA GLY 92 1HA GLY 92 -4.746 4.963 2.168 676 2HA GLY 92 2HA GLY 92 -4.846 3.655 3.349 677 H LYS 93 H LYS 93 -1.851 5.392 2.966 678 HA LYS 93 HA LYS 93 -0.591 3.860 0.942 679 1HB LYS 93 1HB LYS 93 1.185 4.698 3.131 680 2HB LYS 93 2HB LYS 93 0.175 6.003 2.518 681 1HG LYS 93 1HG LYS 93 0.849 5.380 0.215 682 2HG LYS 93 2HG LYS 93 1.987 4.213 0.889 683 1HD LYS 93 1HD LYS 93 3.291 5.927 1.907 684 2HD LYS 93 2HD LYS 93 2.020 7.131 1.687 685 1HE LYS 93 1HE LYS 93 2.305 6.879 -0.799 686 2HE LYS 93 2HE LYS 93 3.679 5.819 -0.488 687 1HZ LYS 93 1HZ LYS 93 3.422 8.653 0.360 688 2HZ LYS 93 2HZ LYS 93 4.434 8.057 -0.867 689 3HZ LYS 93 3HZ LYS 93 4.722 7.637 0.753 690 H SER 94 H SER 94 -1.426 2.998 4.207 691 HA SER 94 HA SER 94 0.561 1.045 4.775 692 1HB SER 94 1HB SER 94 -1.357 -0.042 6.122 693 2HB SER 94 2HB SER 94 -2.338 1.315 5.575 694 HG SER 94 HG SER 94 -0.780 1.331 7.618 695 H GLU 95 H GLU 95 -2.061 1.001 2.462 696 HA GLU 95 HA GLU 95 -2.332 -1.863 2.217 697 1HB GLU 95 1HB GLU 95 -2.760 -0.260 -0.230 698 2HB GLU 95 2HB GLU 95 -3.671 0.290 1.176 699 1HG GLU 95 1HG GLU 95 -4.191 -2.301 1.435 700 2HG GLU 95 2HG GLU 95 -3.824 -2.321 -0.290 701 H GLU 96 H GLU 96 -0.389 0.530 0.376 702 HA GLU 96 HA GLU 96 0.861 -1.474 -1.294 703 1HB GLU 96 1HB GLU 96 0.778 0.866 -2.018 704 2HB GLU 96 2HB GLU 96 2.452 0.324 -1.909 705 1HG GLU 96 1HG GLU 96 2.252 1.286 0.558 706 2HG GLU 96 2HG GLU 96 0.958 2.245 -0.161 707 H GLU 97 H GLU 97 1.378 -0.480 1.974 708 HA GLU 97 HA GLU 97 4.156 -1.032 2.295 709 1HB GLU 97 1HB GLU 97 1.977 -1.585 4.331 710 2HB GLU 97 2HB GLU 97 2.606 0.030 4.009 711 1HG GLU 97 1HG GLU 97 4.425 -0.360 5.283 712 2HG GLU 97 2HG GLU 97 4.779 -1.852 4.410 713 H LEU 98 H LEU 98 1.275 -3.150 2.491 714 HA LEU 98 HA LEU 98 2.844 -5.543 3.022 715 1HB LEU 98 1HB LEU 98 0.700 -6.733 2.328 716 2HB LEU 98 2HB LEU 98 -0.017 -5.154 2.079 717 HG LEU 98 HG LEU 98 -0.467 -6.216 4.344 718 1HD1 LEU 98 1HD1 LEU 98 1.239 -6.472 5.931 719 2HD1 LEU 98 2HD1 LEU 98 2.347 -5.415 5.056 720 3HD1 LEU 98 3HD1 LEU 98 2.005 -7.034 4.445 721 1HD2 LEU 98 1HD2 LEU 98 1.090 -3.660 4.699 722 2HD2 LEU 98 2HD2 LEU 98 -0.422 -4.152 5.463 723 3HD2 LEU 98 3HD2 LEU 98 -0.407 -3.672 3.767 724 H ALA 99 H ALA 99 1.805 -3.795 0.152 725 HA ALA 99 HA ALA 99 2.117 -5.825 -1.810 726 1HB ALA 99 1HB ALA 99 2.891 -2.954 -2.298 727 2HB ALA 99 2HB ALA 99 1.205 -3.419 -2.066 728 3HB ALA 99 3HB ALA 99 2.129 -4.093 -3.408 729 H ASN 100 H ASN 100 4.573 -3.531 -0.522 730 HA ASN 100 HA ASN 100 6.679 -4.600 -2.192 731 1HB ASN 100 1HB ASN 100 7.061 -2.406 -1.309 732 2HB ASN 100 2HB ASN 100 8.238 -3.466 -0.542 733 1HD2 ASN 100 1HD2 ASN 100 7.864 -4.043 1.755 734 2HD2 ASN 100 2HD2 ASN 100 6.835 -3.097 2.718 735 H CYS 101 H CYS 101 5.474 -5.379 1.053 736 HA CYS 101 HA CYS 101 7.559 -7.231 1.766 737 1HB CYS 101 1HB CYS 101 5.665 -8.241 3.217 738 2HB CYS 101 2HB CYS 101 4.673 -6.917 2.609 739 HG CYS 101 HG CYS 101 7.335 -6.400 4.176 740 H PHE 102 H PHE 102 4.508 -7.538 -0.013 741 HA PHE 102 HA PHE 102 4.468 -10.368 -0.351 742 1HB PHE 102 1HB PHE 102 3.405 -8.078 -2.028 743 2HB PHE 102 2HB PHE 102 2.508 -9.105 -0.914 744 HD1 PHE 102 HD1 PHE 102 2.287 -11.601 -1.468 745 HD2 PHE 102 HD2 PHE 102 3.634 -8.667 -4.304 746 HE1 PHE 102 HE1 PHE 102 1.750 -13.150 -3.330 747 HE2 PHE 102 HE2 PHE 102 3.099 -10.218 -6.162 748 HZ PHE 102 HZ PHE 102 2.147 -12.457 -5.674 749 NH1 ARG 103 NH1 ARG 103 8.743 -5.093 -9.130 750 NH2 ARG 103 NH2 ARG 103 6.557 -5.586 -9.485 751 H ARG 103 H ARG 103 5.967 -7.773 -2.313 752 HA ARG 103 HA ARG 103 7.029 -9.562 -4.328 753 1HB ARG 103 1HB ARG 103 8.450 -7.009 -3.736 754 2HB ARG 103 2HB ARG 103 6.756 -6.882 -4.210 755 1HG ARG 103 1HG ARG 103 7.469 -8.553 -6.119 756 2HG ARG 103 2HG ARG 103 9.092 -7.956 -5.770 757 1HD ARG 103 1HD ARG 103 8.494 -5.717 -6.313 758 2HD ARG 103 2HD ARG 103 6.770 -6.079 -6.255 759 HE ARG 103 HE ARG 103 7.827 -7.714 -8.282 760 1HH1 ARG 103 1HH1 ARG 103 6.498 -4.850 -10.159 761 2HH1 ARG 103 2HH1 ARG 103 5.752 -6.144 -9.283 762 1HH2 ARG 103 1HH2 ARG 103 9.606 -5.274 -8.659 763 2HH2 ARG 103 2HH2 ARG 103 8.688 -4.355 -9.805 764 H ILE 104 H ILE 104 8.234 -8.429 -1.201 765 HA ILE 104 HA ILE 104 10.966 -9.251 -1.540 766 HB ILE 104 HB ILE 104 9.269 -8.963 0.963 767 1HG1 ILE 104 1HG1 ILE 104 9.883 -6.971 -0.633 768 2HG1 ILE 104 2HG1 ILE 104 11.491 -7.140 0.071 769 1HG2 ILE 104 1HG2 ILE 104 11.645 -8.725 2.003 770 2HG2 ILE 104 2HG2 ILE 104 12.194 -9.587 0.567 771 3HG2 ILE 104 3HG2 ILE 104 11.044 -10.347 1.667 772 1HD1 ILE 104 1HD1 ILE 104 10.807 -6.022 1.903 773 2HD1 ILE 104 2HD1 ILE 104 9.570 -7.247 2.194 774 3HD1 ILE 104 3HD1 ILE 104 9.203 -5.844 1.191 775 H PHE 105 H PHE 105 8.043 -11.088 -1.070 776 HA PHE 105 HA PHE 105 9.410 -13.414 0.068 777 1HB PHE 105 1HB PHE 105 7.147 -14.516 -0.495 778 2HB PHE 105 2HB PHE 105 6.612 -12.896 -0.938 779 HD1 PHE 105 HD1 PHE 105 5.540 -11.677 0.719 780 HD2 PHE 105 HD2 PHE 105 8.541 -14.538 1.843 781 HE1 PHE 105 HE1 PHE 105 5.145 -11.153 3.110 782 HE2 PHE 105 HE2 PHE 105 8.146 -14.013 4.233 783 HZ PHE 105 HZ PHE 105 6.448 -12.320 4.867 784 H ASP 106 H ASP 106 8.355 -12.319 -3.152 785 HA ASP 106 HA ASP 106 9.309 -14.888 -4.305 786 1HB ASP 106 1HB ASP 106 7.325 -14.314 -5.405 787 2HB ASP 106 2HB ASP 106 8.550 -13.711 -6.513 788 H LYS 107 H LYS 107 11.561 -14.672 -3.960 789 HA LYS 107 HA LYS 107 13.041 -12.325 -4.787 790 1HB LYS 107 1HB LYS 107 13.810 -14.019 -3.068 791 2HB LYS 107 2HB LYS 107 15.020 -13.574 -4.269 792 1HG LYS 107 1HG LYS 107 14.750 -15.618 -5.454 793 2HG LYS 107 2HG LYS 107 13.238 -15.988 -4.626 794 1HD LYS 107 1HD LYS 107 14.305 -16.710 -2.711 795 2HD LYS 107 2HD LYS 107 15.679 -15.630 -2.945 796 1HE LYS 107 1HE LYS 107 16.260 -17.101 -4.980 797 2HE LYS 107 2HE LYS 107 15.111 -18.263 -4.317 798 1HZ LYS 107 1HZ LYS 107 17.477 -17.162 -2.896 799 2HZ LYS 107 2HZ LYS 107 17.354 -18.721 -3.560 800 3HZ LYS 107 3HZ LYS 107 16.368 -18.273 -2.251 801 H ASN 108 H ASN 108 11.480 -14.581 -6.698 802 HA ASN 108 HA ASN 108 13.528 -14.751 -8.805 803 1HB ASN 108 1HB ASN 108 10.629 -15.563 -9.061 804 2HB ASN 108 2HB ASN 108 11.791 -16.577 -8.206 805 1HD2 ASN 108 1HD2 ASN 108 13.573 -17.523 -9.481 806 2HD2 ASN 108 2HD2 ASN 108 13.480 -17.600 -11.175 807 H ALA 109 H ALA 109 10.939 -12.651 -7.878 808 HA ALA 109 HA ALA 109 10.107 -10.702 -8.846 809 1HB ALA 109 1HB ALA 109 12.650 -10.515 -9.403 810 2HB ALA 109 2HB ALA 109 11.513 -9.488 -10.278 811 3HB ALA 109 3HB ALA 109 12.155 -10.944 -11.040 812 H ASP 110 H ASP 110 8.804 -13.075 -9.479 813 HA ASP 110 HA ASP 110 8.245 -12.910 -12.403 814 1HB ASP 110 1HB ASP 110 6.891 -14.979 -10.775 815 2HB ASP 110 2HB ASP 110 8.648 -15.110 -10.836 816 H GLY 111 H GLY 111 6.803 -12.428 -9.222 817 1HA GLY 111 1HA GLY 111 4.223 -11.677 -10.530 818 2HA GLY 111 2HA GLY 111 4.986 -10.612 -9.354 819 H PHE 112 H PHE 112 5.057 -14.124 -9.018 820 HA PHE 112 HA PHE 112 3.265 -13.837 -6.635 821 1HB PHE 112 1HB PHE 112 2.129 -15.852 -7.132 822 2HB PHE 112 2HB PHE 112 3.343 -16.351 -8.305 823 HD1 PHE 112 HD1 PHE 112 1.026 -13.443 -7.713 824 HD2 PHE 112 HD2 PHE 112 2.784 -16.147 -10.551 825 HE1 PHE 112 HE1 PHE 112 -0.293 -12.393 -9.531 826 HE2 PHE 112 HE2 PHE 112 1.466 -15.094 -12.369 827 HZ PHE 112 HZ PHE 112 -0.072 -13.218 -11.859 828 H ILE 113 H ILE 113 3.696 -15.409 -4.933 829 HA ILE 113 HA ILE 113 6.574 -16.116 -4.802 830 HB ILE 113 HB ILE 113 4.385 -16.249 -2.699 831 1HG1 ILE 113 1HG1 ILE 113 5.776 -14.025 -3.749 832 2HG1 ILE 113 2HG1 ILE 113 6.559 -14.387 -2.220 833 1HG2 ILE 113 1HG2 ILE 113 6.861 -17.570 -2.752 834 2HG2 ILE 113 2HG2 ILE 113 5.847 -17.296 -1.336 835 3HG2 ILE 113 3HG2 ILE 113 7.130 -16.154 -1.737 836 1HD1 ILE 113 1HD1 ILE 113 4.565 -12.812 -2.081 837 2HD1 ILE 113 2HD1 ILE 113 4.494 -14.217 -1.018 838 3HD1 ILE 113 3HD1 ILE 113 3.555 -14.192 -2.511 839 H ASP 114 H ASP 114 7.292 -18.199 -4.994 840 HA ASP 114 HA ASP 114 5.247 -20.339 -5.377 841 1HB ASP 114 1HB ASP 114 7.135 -21.615 -6.400 842 2HB ASP 114 2HB ASP 114 8.192 -20.242 -6.100 843 H ILE 115 H ILE 115 5.935 -22.556 -4.548 844 HA ILE 115 HA ILE 115 6.513 -22.435 -1.724 845 HB ILE 115 HB ILE 115 6.263 -24.698 -3.728 846 1HG1 ILE 115 1HG1 ILE 115 4.471 -23.230 -1.919 847 2HG1 ILE 115 2HG1 ILE 115 4.356 -24.981 -1.743 848 1HG2 ILE 115 1HG2 ILE 115 6.184 -26.156 -1.651 849 2HG2 ILE 115 2HG2 ILE 115 6.873 -24.789 -0.774 850 3HG2 ILE 115 3HG2 ILE 115 7.776 -25.537 -2.092 851 1HD1 ILE 115 1HD1 ILE 115 4.293 -24.974 -4.362 852 2HD1 ILE 115 2HD1 ILE 115 3.831 -23.282 -4.169 853 3HD1 ILE 115 3HD1 ILE 115 2.831 -24.555 -3.469 854 H GLU 116 H GLU 116 8.360 -23.163 -4.652 855 HA GLU 116 HA GLU 116 10.730 -24.155 -3.366 856 1HB GLU 116 1HB GLU 116 10.371 -24.513 -5.757 857 2HB GLU 116 2HB GLU 116 11.857 -23.594 -5.527 858 1HG GLU 116 1HG GLU 116 10.638 -21.501 -6.017 859 2HG GLU 116 2HG GLU 116 9.147 -22.414 -6.231 860 H GLU 117 H GLU 117 9.658 -20.881 -4.259 861 HA GLU 117 HA GLU 117 12.111 -19.540 -3.571 862 1HB GLU 117 1HB GLU 117 10.776 -17.491 -3.558 863 2HB GLU 117 2HB GLU 117 9.286 -18.427 -3.454 864 1HG GLU 117 1HG GLU 117 9.745 -17.636 -5.772 865 2HG GLU 117 2HG GLU 117 9.702 -19.394 -5.664 866 H LEU 118 H LEU 118 9.166 -20.333 -1.735 867 HA LEU 118 HA LEU 118 10.038 -19.054 0.710 868 1HB LEU 118 1HB LEU 118 7.978 -21.247 0.284 869 2HB LEU 118 2HB LEU 118 7.654 -19.519 0.197 870 HG LEU 118 HG LEU 118 8.996 -20.460 2.676 871 1HD1 LEU 118 1HD1 LEU 118 7.517 -18.795 3.672 872 2HD1 LEU 118 2HD1 LEU 118 6.612 -18.655 2.164 873 3HD1 LEU 118 3HD1 LEU 118 8.285 -18.104 2.242 874 1HD2 LEU 118 1HD2 LEU 118 6.386 -20.879 3.361 875 2HD2 LEU 118 2HD2 LEU 118 7.501 -22.174 2.927 876 3HD2 LEU 118 3HD2 LEU 118 6.398 -21.518 1.718 877 H GLY 119 H GLY 119 9.187 -22.443 1.049 878 1HA GLY 119 1HA GLY 119 11.691 -23.701 1.002 879 2HA GLY 119 2HA GLY 119 10.355 -24.221 2.020 880 H GLU 120 H GLU 120 13.404 -22.604 1.920 881 HA GLU 120 HA GLU 120 13.974 -22.922 4.669 882 1HB GLU 120 1HB GLU 120 15.741 -21.123 4.242 883 2HB GLU 120 2HB GLU 120 15.114 -21.041 2.595 884 1HG GLU 120 1HG GLU 120 15.548 -23.464 2.322 885 2HG GLU 120 2HG GLU 120 16.184 -23.532 3.966 886 H ILE 121 H ILE 121 12.300 -20.271 3.028 887 HA ILE 121 HA ILE 121 12.516 -18.276 5.036 888 HB ILE 121 HB ILE 121 10.156 -18.867 3.215 889 1HG1 ILE 121 1HG1 ILE 121 12.297 -18.479 2.019 890 2HG1 ILE 121 2HG1 ILE 121 12.506 -16.966 2.902 891 1HG2 ILE 121 1HG2 ILE 121 9.204 -16.884 3.873 892 2HG2 ILE 121 2HG2 ILE 121 10.763 -16.116 4.176 893 3HG2 ILE 121 3HG2 ILE 121 10.079 -17.223 5.365 894 1HD1 ILE 121 1HD1 ILE 121 10.969 -15.867 1.624 895 2HD1 ILE 121 2HD1 ILE 121 9.898 -17.265 1.533 896 3HD1 ILE 121 3HD1 ILE 121 11.294 -17.152 0.461 897 H LEU 122 H LEU 122 10.247 -21.023 4.754 898 HA LEU 122 HA LEU 122 8.710 -20.291 7.100 899 1HB LEU 122 1HB LEU 122 8.373 -23.011 6.865 900 2HB LEU 122 2HB LEU 122 8.825 -22.561 5.221 901 HG LEU 122 HG LEU 122 7.060 -20.804 5.249 902 1HD1 LEU 122 1HD1 LEU 122 6.723 -23.324 4.609 903 2HD1 LEU 122 2HD1 LEU 122 5.310 -22.282 4.771 904 3HD1 LEU 122 3HD1 LEU 122 5.749 -23.379 6.079 905 1HD2 LEU 122 1HD2 LEU 122 6.704 -21.887 8.035 906 2HD2 LEU 122 2HD2 LEU 122 5.319 -21.212 7.176 907 3HD2 LEU 122 3HD2 LEU 122 6.735 -20.209 7.493 908 NH1 ARG 123 NH1 ARG 123 11.452 -28.302 5.737 909 NH2 ARG 123 NH2 ARG 123 12.329 -29.976 6.990 910 H ARG 123 H ARG 123 11.297 -22.719 6.567 911 HA ARG 123 HA ARG 123 11.422 -23.498 9.347 912 1HB ARG 123 1HB ARG 123 13.707 -24.447 8.586 913 2HB ARG 123 2HB ARG 123 13.232 -23.911 6.973 914 1HG ARG 123 1HG ARG 123 11.487 -25.435 6.837 915 2HG ARG 123 2HG ARG 123 11.262 -25.491 8.586 916 1HD ARG 123 1HD ARG 123 13.477 -26.687 8.749 917 2HD ARG 123 2HD ARG 123 13.498 -26.770 6.987 918 HE ARG 123 HE ARG 123 11.462 -28.123 8.712 919 1HH1 ARG 123 1HH1 ARG 123 12.281 -30.592 6.204 920 2HH1 ARG 123 2HH1 ARG 123 12.688 -30.309 7.863 921 1HH2 ARG 123 1HH2 ARG 123 11.141 -27.355 5.652 922 2HH2 ARG 123 2HH2 ARG 123 11.404 -28.916 4.949 923 H ALA 124 H ALA 124 12.749 -20.780 7.635 924 HA ALA 124 HA ALA 124 15.101 -20.260 9.128 925 1HB ALA 124 1HB ALA 124 14.517 -17.797 8.586 926 2HB ALA 124 2HB ALA 124 13.126 -18.461 7.730 927 3HB ALA 124 3HB ALA 124 14.759 -18.900 7.231 928 H THR 125 H THR 125 11.735 -19.901 10.064 929 HA THR 125 HA THR 125 12.086 -18.031 12.200 930 HB THR 125 HB THR 125 9.871 -18.660 11.268 931 HG1 THR 125 HG1 THR 125 8.961 -18.275 13.141 932 1HG2 THR 125 1HG2 THR 125 9.570 -21.062 12.913 933 2HG2 THR 125 2HG2 THR 125 10.749 -21.267 11.618 934 3HG2 THR 125 3HG2 THR 125 9.097 -20.782 11.238 935 H GLY 126 H GLY 126 12.898 -21.427 11.978 936 1HA GLY 126 1HA GLY 126 13.753 -21.329 14.839 937 2HA GLY 126 2HA GLY 126 14.509 -22.328 13.601 938 H GLU 127 H GLU 127 11.012 -22.037 13.855 939 HA GLU 127 HA GLU 127 10.522 -24.289 15.554 940 1HB GLU 127 1HB GLU 127 8.256 -24.295 14.299 941 2HB GLU 127 2HB GLU 127 8.873 -22.872 13.459 942 1HG GLU 127 1HG GLU 127 7.826 -21.864 15.271 943 2HG GLU 127 2HG GLU 127 9.447 -22.080 15.929 944 H HIS 128 H HIS 128 9.887 -26.447 14.983 945 HA HIS 128 HA HIS 128 11.219 -27.430 12.525 946 1HB HIS 128 1HB HIS 128 10.850 -29.684 13.551 947 2HB HIS 128 2HB HIS 128 10.063 -28.895 14.917 948 HD1 HIS 128 HD1 HIS 128 13.296 -28.074 13.046 949 HD2 HIS 128 HD2 HIS 128 11.955 -28.805 16.926 950 HE1 HIS 128 HE1 HIS 128 15.296 -27.758 14.568 951 H VAL 129 H VAL 129 9.542 -26.565 11.080 952 HA VAL 129 HA VAL 129 6.827 -27.662 11.287 953 HB VAL 129 HB VAL 129 7.195 -25.390 10.406 954 1HG1 VAL 129 1HG1 VAL 129 8.122 -25.219 8.040 955 2HG1 VAL 129 2HG1 VAL 129 8.719 -26.865 8.249 956 3HG1 VAL 129 3HG1 VAL 129 9.306 -25.573 9.296 957 1HG2 VAL 129 1HG2 VAL 129 5.251 -26.835 9.654 958 2HG2 VAL 129 2HG2 VAL 129 6.174 -27.179 8.192 959 3HG2 VAL 129 3HG2 VAL 129 5.678 -25.526 8.553 960 H ILE 130 H ILE 130 5.869 -28.935 9.543 961 HA ILE 130 HA ILE 130 7.834 -30.881 8.408 962 HB ILE 130 HB ILE 130 5.433 -32.108 8.042 963 1HG1 ILE 130 1HG1 ILE 130 4.353 -30.130 9.285 964 2HG1 ILE 130 2HG1 ILE 130 5.131 -30.761 10.736 965 1HG2 ILE 130 1HG2 ILE 130 6.030 -33.480 9.942 966 2HG2 ILE 130 2HG2 ILE 130 6.973 -32.170 10.653 967 3HG2 ILE 130 3HG2 ILE 130 7.523 -32.950 9.169 968 1HD1 ILE 130 1HD1 ILE 130 3.840 -32.703 10.740 969 2HD1 ILE 130 2HD1 ILE 130 3.523 -32.618 9.007 970 3HD1 ILE 130 3HD1 ILE 130 2.685 -31.528 10.112 971 H GLU 131 H GLU 131 7.641 -31.527 6.209 972 HA GLU 131 HA GLU 131 6.770 -29.465 4.393 973 1HB GLU 131 1HB GLU 131 8.628 -30.898 3.769 974 2HB GLU 131 2HB GLU 131 7.315 -31.159 2.630 975 1HG GLU 131 1HG GLU 131 6.633 -33.091 4.281 976 2HG GLU 131 2HG GLU 131 8.310 -32.966 4.814 977 H GLU 132 H GLU 132 5.292 -32.418 5.632 978 HA GLU 132 HA GLU 132 3.160 -32.599 3.715 979 1HB GLU 132 1HB GLU 132 2.352 -33.429 6.379 980 2HB GLU 132 2HB GLU 132 3.973 -34.019 6.011 981 1HG GLU 132 1HG GLU 132 2.796 -34.605 3.671 982 2HG GLU 132 2HG GLU 132 1.369 -34.672 4.705 983 H ASP 133 H ASP 133 3.656 -30.668 6.635 984 HA ASP 133 HA ASP 133 0.886 -29.678 6.657 985 1HB ASP 133 1HB ASP 133 3.288 -28.603 8.166 986 2HB ASP 133 2HB ASP 133 2.298 -29.945 8.736 987 H ILE 134 H ILE 134 4.090 -28.501 5.634 988 HA ILE 134 HA ILE 134 3.239 -25.826 4.975 989 HB ILE 134 HB ILE 134 5.564 -27.472 3.919 990 1HG1 ILE 134 1HG1 ILE 134 5.363 -26.908 6.439 991 2HG1 ILE 134 2HG1 ILE 134 5.644 -25.238 5.952 992 1HG2 ILE 134 1HG2 ILE 134 5.196 -25.689 2.364 993 2HG2 ILE 134 2HG2 ILE 134 6.500 -25.148 3.421 994 3HG2 ILE 134 3HG2 ILE 134 4.862 -24.539 3.658 995 1HD1 ILE 134 1HD1 ILE 134 7.528 -27.123 4.723 996 2HD1 ILE 134 2HD1 ILE 134 7.616 -27.111 6.484 997 3HD1 ILE 134 3HD1 ILE 134 7.849 -25.615 5.580 998 H GLU 135 H GLU 135 3.702 -28.754 2.962 999 HA GLU 135 HA GLU 135 2.929 -27.617 0.474 1000 1HB GLU 135 1HB GLU 135 2.232 -30.454 1.207 1001 2HB GLU 135 2HB GLU 135 3.920 -29.969 1.033 1002 1HG GLU 135 1HG GLU 135 3.120 -28.941 -1.239 1003 2HG GLU 135 2HG GLU 135 1.742 -30.026 -1.044 1004 H ASP 136 H ASP 136 0.913 -29.337 2.892 1005 HA ASP 136 HA ASP 136 -1.553 -29.022 1.469 1006 1HB ASP 136 1HB ASP 136 -1.519 -29.106 4.461 1007 2HB ASP 136 2HB ASP 136 -0.914 -30.504 3.570 1008 H LEU 137 H LEU 137 0.182 -26.915 3.716 1009 HA LEU 137 HA LEU 137 -1.932 -25.103 4.329 1010 1HB LEU 137 1HB LEU 137 0.957 -24.290 3.975 1011 2HB LEU 137 2HB LEU 137 0.425 -25.243 5.358 1012 HG LEU 137 HG LEU 137 -0.966 -22.675 4.605 1013 1HD1 LEU 137 1HD1 LEU 137 -0.730 -24.403 7.075 1014 2HD1 LEU 137 2HD1 LEU 137 -2.191 -23.947 6.200 1015 3HD1 LEU 137 3HD1 LEU 137 -1.325 -22.745 7.155 1016 1HD2 LEU 137 1HD2 LEU 137 1.369 -22.950 6.521 1017 2HD2 LEU 137 2HD2 LEU 137 0.505 -21.468 6.115 1018 3HD2 LEU 137 3HD2 LEU 137 1.499 -22.271 4.899 1019 H MET 138 H MET 138 0.427 -25.102 1.647 1020 HA MET 138 HA MET 138 -0.486 -22.622 0.496 1021 1HB MET 138 1HB MET 138 0.690 -24.650 -1.320 1022 2HB MET 138 2HB MET 138 1.675 -24.226 0.080 1023 1HG MET 138 1HG MET 138 0.401 -22.020 -1.503 1024 2HG MET 138 2HG MET 138 1.832 -22.814 -2.159 1025 1HE MET 138 1HE MET 138 3.565 -19.905 -1.278 1026 2HE MET 138 2HE MET 138 3.093 -21.198 -2.378 1027 3HE MET 138 3HE MET 138 4.441 -21.441 -1.271 1028 H LYS 139 H LYS 139 -1.213 -26.045 -0.289 1029 HA LYS 139 HA LYS 139 -3.034 -25.392 -2.435 1030 1HB LYS 139 1HB LYS 139 -1.959 -27.594 -2.298 1031 2HB LYS 139 2HB LYS 139 -3.713 -27.766 -2.297 1032 1HG LYS 139 1HG LYS 139 -3.514 -27.763 0.287 1033 2HG LYS 139 2HG LYS 139 -1.796 -28.058 0.018 1034 1HD LYS 139 1HD LYS 139 -2.624 -30.236 0.155 1035 2HD LYS 139 2HD LYS 139 -2.672 -29.954 -1.586 1036 1HE LYS 139 1HE LYS 139 -5.101 -28.957 -0.842 1037 2HE LYS 139 2HE LYS 139 -4.899 -30.243 0.347 1038 1HZ LYS 139 1HZ LYS 139 -4.587 -30.592 -2.586 1039 2HZ LYS 139 2HZ LYS 139 -5.984 -30.996 -1.708 1040 3HZ LYS 139 3HZ LYS 139 -4.524 -31.814 -1.411 1041 H ASP 140 H ASP 140 -3.441 -25.636 1.046 1042 HA ASP 140 HA ASP 140 -6.373 -25.767 0.874 1043 1HB ASP 140 1HB ASP 140 -4.942 -25.052 3.406 1044 2HB ASP 140 2HB ASP 140 -4.731 -26.677 2.757 1045 H SER 141 H SER 141 -3.884 -23.300 1.356 1046 HA SER 141 HA SER 141 -5.816 -21.231 2.113 1047 1HB SER 141 1HB SER 141 -3.807 -19.706 1.797 1048 2HB SER 141 2HB SER 141 -2.874 -21.148 1.407 1049 HG SER 141 HG SER 141 -2.621 -21.114 3.515 1050 H ASP 142 H ASP 142 -4.418 -22.436 -0.879 1051 HA ASP 142 HA ASP 142 -5.076 -20.060 -2.439 1052 1HB ASP 142 1HB ASP 142 -4.773 -22.728 -3.753 1053 2HB ASP 142 2HB ASP 142 -3.371 -22.069 -2.913 1054 H LYS 143 H LYS 143 -7.210 -19.525 -2.596 1055 HA LYS 143 HA LYS 143 -9.349 -21.497 -2.553 1056 1HB LYS 143 1HB LYS 143 -10.696 -19.381 -3.326 1057 2HB LYS 143 2HB LYS 143 -9.199 -18.522 -2.960 1058 1HG LYS 143 1HG LYS 143 -9.508 -20.161 -0.755 1059 2HG LYS 143 2HG LYS 143 -11.172 -19.721 -1.137 1060 1HD LYS 143 1HD LYS 143 -8.999 -17.630 -1.035 1061 2HD LYS 143 2HD LYS 143 -9.817 -18.154 0.436 1062 1HE LYS 143 1HE LYS 143 -11.461 -17.373 -1.954 1063 2HE LYS 143 2HE LYS 143 -10.759 -16.109 -0.945 1064 1HZ LYS 143 1HZ LYS 143 -11.845 -17.018 0.970 1065 2HZ LYS 143 2HZ LYS 143 -12.431 -18.341 0.079 1066 3HZ LYS 143 3HZ LYS 143 -13.006 -16.776 -0.242 1067 H ASN 144 H ASN 144 -7.406 -20.056 -5.064 1068 HA ASN 144 HA ASN 144 -9.318 -20.886 -7.176 1069 1HB ASN 144 1HB ASN 144 -6.618 -19.678 -7.711 1070 2HB ASN 144 2HB ASN 144 -7.922 -18.659 -7.105 1071 1HD2 ASN 144 1HD2 ASN 144 -6.591 -20.016 -9.949 1072 2HD2 ASN 144 2HD2 ASN 144 -7.902 -19.716 -10.984 1073 H ASN 145 H ASN 145 -6.812 -22.275 -5.413 1074 HA ASN 145 HA ASN 145 -5.536 -24.190 -5.685 1075 1HB ASN 145 1HB ASN 145 -6.368 -25.814 -7.481 1076 2HB ASN 145 2HB ASN 145 -7.622 -24.628 -7.835 1077 1HD2 ASN 145 1HD2 ASN 145 -9.530 -25.210 -6.780 1078 2HD2 ASN 145 2HD2 ASN 145 -9.620 -25.873 -5.220 1079 H ASP 146 H ASP 146 -3.934 -22.451 -6.401 1080 HA ASP 146 HA ASP 146 -3.097 -22.891 -9.237 1081 1HB ASP 146 1HB ASP 146 -2.386 -20.552 -7.436 1082 2HB ASP 146 2HB ASP 146 -3.716 -20.527 -8.593 1083 H GLY 147 H GLY 147 -2.002 -22.612 -5.861 1084 1HA GLY 147 1HA GLY 147 0.454 -24.127 -6.626 1085 2HA GLY 147 2HA GLY 147 -0.306 -24.193 -5.037 1086 NH1 ARG 148 NH1 ARG 148 1.932 -20.820 -11.120 1087 NH2 ARG 148 NH2 ARG 148 2.885 -22.867 -11.342 1088 H ARG 148 H ARG 148 0.134 -21.173 -6.821 1089 HA ARG 148 HA ARG 148 2.391 -20.444 -5.011 1090 1HB ARG 148 1HB ARG 148 2.592 -18.486 -6.649 1091 2HB ARG 148 2HB ARG 148 1.435 -19.347 -7.656 1092 1HG ARG 148 1HG ARG 148 3.897 -20.738 -6.621 1093 2HG ARG 148 2HG ARG 148 3.978 -19.733 -8.067 1094 1HD ARG 148 1HD ARG 148 1.693 -21.314 -8.431 1095 2HD ARG 148 2HD ARG 148 2.892 -22.413 -7.750 1096 HE ARG 148 HE ARG 148 4.415 -21.432 -9.642 1097 1HH1 ARG 148 1HH1 ARG 148 1.404 -20.971 -11.955 1098 2HH1 ARG 148 2HH1 ARG 148 1.834 -19.961 -10.616 1099 1HH2 ARG 148 1HH2 ARG 148 3.512 -23.571 -11.009 1100 2HH2 ARG 148 2HH2 ARG 148 2.358 -23.024 -12.179 1101 H ILE 149 H ILE 149 2.377 -18.088 -4.334 1102 HA ILE 149 HA ILE 149 -0.385 -17.343 -3.463 1103 HB ILE 149 HB ILE 149 2.291 -16.486 -2.307 1104 1HG1 ILE 149 1HG1 ILE 149 1.572 -18.938 -2.023 1105 2HG1 ILE 149 2HG1 ILE 149 0.228 -18.321 -1.063 1106 1HG2 ILE 149 1HG2 ILE 149 1.012 -15.445 -0.557 1107 2HG2 ILE 149 2HG2 ILE 149 -0.491 -16.151 -1.150 1108 3HG2 ILE 149 3HG2 ILE 149 0.319 -14.890 -2.080 1109 1HD1 ILE 149 1HD1 ILE 149 2.055 -18.891 0.436 1110 2HD1 ILE 149 2HD1 ILE 149 1.896 -17.135 0.393 1111 3HD1 ILE 149 3HD1 ILE 149 3.185 -17.927 -0.514 1112 H ASP 150 H ASP 150 -1.267 -15.631 -4.479 1113 HA ASP 150 HA ASP 150 0.543 -13.768 -5.949 1114 1HB ASP 150 1HB ASP 150 -1.009 -14.519 -7.526 1115 2HB ASP 150 2HB ASP 150 -1.772 -13.035 -6.966 1116 H PHE 151 H PHE 151 -0.471 -11.449 -6.068 1117 HA PHE 151 HA PHE 151 -0.526 -10.409 -3.380 1118 1HB PHE 151 1HB PHE 151 -1.372 -8.975 -5.914 1119 2HB PHE 151 2HB PHE 151 0.308 -9.164 -5.408 1120 HD1 PHE 151 HD1 PHE 151 0.735 -8.510 -2.829 1121 HD2 PHE 151 HD2 PHE 151 -2.475 -7.032 -5.272 1122 HE1 PHE 151 HE1 PHE 151 0.486 -6.555 -1.325 1123 HE2 PHE 151 HE2 PHE 151 -2.720 -5.077 -3.770 1124 HZ PHE 151 HZ PHE 151 -1.239 -4.838 -1.795 1125 H ASP 152 H ASP 152 -3.036 -11.508 -5.551 1126 HA ASP 152 HA ASP 152 -5.243 -10.042 -4.450 1127 1HB ASP 152 1HB ASP 152 -6.598 -12.041 -5.323 1128 2HB ASP 152 2HB ASP 152 -5.060 -12.707 -5.868 1129 H GLU 153 H GLU 153 -4.378 -13.480 -3.846 1130 HA GLU 153 HA GLU 153 -6.036 -13.661 -1.487 1131 1HB GLU 153 1HB GLU 153 -3.730 -15.511 -1.701 1132 2HB GLU 153 2HB GLU 153 -4.813 -15.498 -3.093 1133 1HG GLU 153 1HG GLU 153 -5.973 -15.638 -0.323 1134 2HG GLU 153 2HG GLU 153 -5.312 -17.098 -1.059 1135 H PHE 154 H PHE 154 -2.709 -12.681 -2.044 1136 HA PHE 154 HA PHE 154 -1.528 -12.980 0.479 1137 1HB PHE 154 1HB PHE 154 -1.269 -10.778 -1.582 1138 2HB PHE 154 2HB PHE 154 -0.228 -12.180 -1.375 1139 HD1 PHE 154 HD1 PHE 154 0.868 -12.397 1.053 1140 HD2 PHE 154 HD2 PHE 154 -0.587 -8.747 -0.679 1141 HE1 PHE 154 HE1 PHE 154 2.320 -11.096 2.580 1142 HE2 PHE 154 HE2 PHE 154 0.862 -7.452 0.842 1143 HZ PHE 154 HZ PHE 154 2.317 -8.619 2.476 1144 H LEU 155 H LEU 155 -3.796 -10.468 -0.606 1145 HA LEU 155 HA LEU 155 -3.597 -8.684 1.584 1146 1HB LEU 155 1HB LEU 155 -5.893 -7.984 1.001 1147 2HB LEU 155 2HB LEU 155 -6.079 -9.423 0.001 1148 HG LEU 155 HG LEU 155 -4.012 -8.625 -1.282 1149 1HD1 LEU 155 1HD1 LEU 155 -6.453 -6.823 -1.345 1150 2HD1 LEU 155 2HD1 LEU 155 -6.355 -8.408 -2.113 1151 3HD1 LEU 155 3HD1 LEU 155 -5.317 -7.093 -2.667 1152 1HD2 LEU 155 1HD2 LEU 155 -3.089 -7.022 0.242 1153 2HD2 LEU 155 2HD2 LEU 155 -4.627 -6.170 0.386 1154 3HD2 LEU 155 3HD2 LEU 155 -3.711 -6.092 -1.120 1155 H LYS 156 H LYS 156 -6.115 -11.231 1.195 1156 HA LYS 156 HA LYS 156 -6.902 -11.071 3.978 1157 1HB LYS 156 1HB LYS 156 -7.403 -13.419 2.141 1158 2HB LYS 156 2HB LYS 156 -8.315 -11.914 2.011 1159 1HG LYS 156 1HG LYS 156 -8.667 -12.241 4.600 1160 2HG LYS 156 2HG LYS 156 -8.271 -13.923 4.251 1161 1HD LYS 156 1HD LYS 156 -10.061 -13.374 2.252 1162 2HD LYS 156 2HD LYS 156 -10.688 -12.367 3.558 1163 1HE LYS 156 1HE LYS 156 -9.929 -15.250 4.035 1164 2HE LYS 156 2HE LYS 156 -11.522 -14.819 3.414 1165 1HZ LYS 156 1HZ LYS 156 -10.315 -13.794 5.928 1166 2HZ LYS 156 2HZ LYS 156 -11.523 -14.984 5.824 1167 3HZ LYS 156 3HZ LYS 156 -11.851 -13.392 5.332 1168 H MET 157 H MET 157 -4.432 -12.852 2.267 1169 HA MET 157 HA MET 157 -4.052 -15.066 3.998 1170 1HB MET 157 1HB MET 157 -1.514 -13.991 3.087 1171 2HB MET 157 2HB MET 157 -2.707 -13.944 1.792 1172 1HG MET 157 1HG MET 157 -2.112 -16.118 1.478 1173 2HG MET 157 2HG MET 157 -3.173 -16.424 2.852 1174 1HE MET 157 1HE MET 157 1.369 -16.303 2.635 1175 2HE MET 157 2HE MET 157 0.542 -14.747 2.656 1176 3HE MET 157 3HE MET 157 0.161 -15.922 1.399 1177 H MET 158 H MET 158 -2.398 -11.874 4.108 1178 HA MET 158 HA MET 158 -1.085 -12.437 6.620 1179 1HB MET 158 1HB MET 158 -1.661 -9.623 5.778 1180 2HB MET 158 2HB MET 158 -0.609 -10.603 4.756 1181 1HG MET 158 1HG MET 158 0.390 -11.165 7.243 1182 2HG MET 158 2HG MET 158 -0.122 -9.490 7.452 1183 1HE MET 158 1HE MET 158 3.689 -10.768 6.340 1184 2HE MET 158 2HE MET 158 2.431 -11.179 7.503 1185 3HE MET 158 3HE MET 158 3.224 -9.609 7.593 1186 H GLU 159 H GLU 159 -4.224 -11.064 5.770 1187 HA GLU 159 HA GLU 159 -4.849 -9.831 8.269 1188 1HB GLU 159 1HB GLU 159 -7.282 -10.448 7.516 1189 2HB GLU 159 2HB GLU 159 -6.497 -10.985 6.030 1190 1HG GLU 159 1HG GLU 159 -5.982 -8.853 5.384 1191 2HG GLU 159 2HG GLU 159 -5.639 -8.330 7.034 1192 H GLY 160 H GLY 160 -5.358 -13.180 7.118 1193 1HA GLY 160 1HA GLY 160 -6.614 -14.819 8.501 1194 2HA GLY 160 2HA GLY 160 -6.062 -13.938 9.926 1195 H VAL 161 H VAL 161 -3.450 -13.712 9.806 1196 HA VAL 161 HA VAL 161 -2.404 -16.450 9.202 1197 HB VAL 161 HB VAL 161 -1.484 -14.576 7.775 1198 1HG1 VAL 161 1HG1 VAL 161 0.245 -13.684 10.018 1199 2HG1 VAL 161 2HG1 VAL 161 -1.420 -13.101 10.040 1200 3HG1 VAL 161 3HG1 VAL 161 -0.388 -12.772 8.648 1201 1HG2 VAL 161 1HG2 VAL 161 0.112 -16.430 9.468 1202 2HG2 VAL 161 2HG2 VAL 161 1.012 -15.192 8.593 1203 3HG2 VAL 161 3HG2 VAL 161 -0.007 -16.329 7.711 1204 H GLN 162 H GLN 162 -3.635 -16.087 11.628 1205 HA GLN 162 HA GLN 162 -1.585 -15.390 13.638 1206 1HB GLN 162 1HB GLN 162 -3.921 -14.710 14.038 1207 2HB GLN 162 2HB GLN 162 -3.365 -15.819 15.289 1208 1HG GLN 162 1HG GLN 162 -4.389 -17.627 13.588 1209 2HG GLN 162 2HG GLN 162 -5.384 -16.245 13.133 1210 1HE2 GLN 162 1HE2 GLN 162 -4.311 -18.075 16.054 1211 2HE2 GLN 162 2HE2 GLN 162 -5.731 -17.781 16.938 Start of MODEL 22 Raw file had 1211 H/Q atoms Start of MODEL 22 1 1H ALA 1 1H ALA 1 -36.992 5.441 8.511 2 2H ALA 1 2H ALA 1 -37.636 5.189 6.959 3 3H ALA 1 3H ALA 1 -38.555 5.988 8.143 4 HA ALA 1 HA ALA 1 -37.709 7.607 6.608 5 1HB ALA 1 1HB ALA 1 -36.233 8.911 8.262 6 2HB ALA 1 2HB ALA 1 -36.433 7.535 9.347 7 3HB ALA 1 3HB ALA 1 -37.842 8.458 8.826 8 H SER 2 H SER 2 -36.142 8.105 5.122 9 HA SER 2 HA SER 2 -33.578 6.571 5.281 10 1HB SER 2 1HB SER 2 -34.336 7.932 2.749 11 2HB SER 2 2HB SER 2 -35.359 6.582 3.232 12 HG SER 2 HG SER 2 -32.684 6.604 2.494 13 H MET 3 H MET 3 -31.786 7.671 5.662 14 HA MET 3 HA MET 3 -31.042 10.186 4.581 15 1HB MET 3 1HB MET 3 -32.689 11.284 5.927 16 2HB MET 3 2HB MET 3 -31.154 11.536 6.753 17 1HG MET 3 1HG MET 3 -31.721 9.448 8.130 18 2HG MET 3 2HG MET 3 -33.348 9.577 7.464 19 1HE MET 3 1HE MET 3 -33.727 10.070 10.755 20 2HE MET 3 2HE MET 3 -32.222 10.868 11.203 21 3HE MET 3 3HE MET 3 -32.180 9.440 10.172 22 H THR 4 H THR 4 -30.765 7.904 7.279 23 HA THR 4 HA THR 4 -27.850 8.555 7.487 24 HB THR 4 HB THR 4 -28.040 7.141 9.621 25 HG1 THR 4 HG1 THR 4 -29.894 6.144 9.675 26 1HG2 THR 4 1HG2 THR 4 -29.418 9.788 9.206 27 2HG2 THR 4 2HG2 THR 4 -27.852 9.463 9.952 28 3HG2 THR 4 3HG2 THR 4 -29.339 9.051 10.807 29 H ASP 5 H ASP 5 -28.627 7.127 5.232 30 HA ASP 5 HA ASP 5 -28.327 4.251 5.718 31 1HB ASP 5 1HB ASP 5 -28.364 4.073 3.256 32 2HB ASP 5 2HB ASP 5 -28.261 5.830 3.124 33 H GLN 6 H GLN 6 -26.355 6.827 4.202 34 HA GLN 6 HA GLN 6 -24.027 5.142 3.842 35 1HB GLN 6 1HB GLN 6 -22.842 7.230 3.349 36 2HB GLN 6 2HB GLN 6 -24.171 8.172 4.023 37 1HG GLN 6 1HG GLN 6 -25.560 6.734 2.223 38 2HG GLN 6 2HG GLN 6 -23.990 6.726 1.419 39 1HE2 GLN 6 1HE2 GLN 6 -26.431 8.961 2.834 40 2HE2 GLN 6 2HE2 GLN 6 -26.002 10.286 1.864 41 H GLN 7 H GLN 7 -25.158 7.312 6.406 42 HA GLN 7 HA GLN 7 -22.712 7.225 7.951 43 1HB GLN 7 1HB GLN 7 -24.309 7.977 9.832 44 2HB GLN 7 2HB GLN 7 -25.566 7.982 8.595 45 1HG GLN 7 1HG GLN 7 -24.315 9.593 7.266 46 2HG GLN 7 2HG GLN 7 -22.949 9.503 8.379 47 1HE2 GLN 7 1HE2 GLN 7 -26.406 10.480 8.207 48 2HE2 GLN 7 2HE2 GLN 7 -26.311 11.600 9.479 49 H ALA 8 H ALA 8 -25.785 5.401 8.087 50 HA ALA 8 HA ALA 8 -25.117 3.836 10.394 51 1HB ALA 8 1HB ALA 8 -27.410 4.011 9.569 52 2HB ALA 8 2HB ALA 8 -26.915 2.319 9.621 53 3HB ALA 8 3HB ALA 8 -26.959 3.178 8.082 54 H GLU 9 H GLU 9 -23.751 3.700 7.253 55 HA GLU 9 HA GLU 9 -22.887 0.877 7.714 56 1HB GLU 9 1HB GLU 9 -24.034 1.158 5.565 57 2HB GLU 9 2HB GLU 9 -22.328 0.810 5.297 58 1HG GLU 9 1HG GLU 9 -21.866 3.170 4.898 59 2HG GLU 9 2HG GLU 9 -23.532 3.591 5.293 60 H ALA 10 H ALA 10 -21.756 4.151 6.925 61 HA ALA 10 HA ALA 10 -18.952 3.448 6.833 62 1HB ALA 10 1HB ALA 10 -18.625 5.935 7.167 63 2HB ALA 10 2HB ALA 10 -20.376 6.084 7.313 64 3HB ALA 10 3HB ALA 10 -19.662 5.520 5.802 65 NH1 ARG 11 NH1 ARG 11 -21.268 3.892 17.222 66 NH2 ARG 11 NH2 ARG 11 -22.426 5.695 16.482 67 H ARG 11 H ARG 11 -21.252 4.143 9.389 68 HA ARG 11 HA ARG 11 -19.315 4.738 11.460 69 1HB ARG 11 1HB ARG 11 -21.812 3.420 12.323 70 2HB ARG 11 2HB ARG 11 -22.061 4.841 11.313 71 1HG ARG 11 1HG ARG 11 -21.962 5.672 13.542 72 2HG ARG 11 2HG ARG 11 -20.382 6.033 12.849 73 1HD ARG 11 1HD ARG 11 -19.349 4.228 14.004 74 2HD ARG 11 2HD ARG 11 -20.899 3.478 14.381 75 HE ARG 11 HE ARG 11 -19.756 5.855 15.749 76 1HH1 ARG 11 1HH1 ARG 11 -21.992 3.696 17.884 77 2HH1 ARG 11 2HH1 ARG 11 -20.463 3.298 17.173 78 1HH2 ARG 11 1HH2 ARG 11 -22.507 6.480 15.867 79 2HH2 ARG 11 2HH2 ARG 11 -23.152 5.501 17.142 80 H ALA 12 H ALA 12 -21.028 1.760 10.469 81 HA ALA 12 HA ALA 12 -19.741 0.061 12.417 82 1HB ALA 12 1HB ALA 12 -20.495 -1.783 10.809 83 2HB ALA 12 2HB ALA 12 -21.167 -0.498 9.805 84 3HB ALA 12 3HB ALA 12 -21.773 -0.746 11.444 85 H PHE 13 H PHE 13 -18.785 1.316 9.291 86 HA PHE 13 HA PHE 13 -16.784 -0.644 8.648 87 1HB PHE 13 1HB PHE 13 -16.806 2.294 7.886 88 2HB PHE 13 2HB PHE 13 -17.730 1.051 7.045 89 HD1 PHE 13 HD1 PHE 13 -14.430 2.508 7.595 90 HD2 PHE 13 HD2 PHE 13 -16.548 -0.793 5.840 91 HE1 PHE 13 HE1 PHE 13 -12.426 1.937 6.253 92 HE2 PHE 13 HE2 PHE 13 -14.541 -1.365 4.499 93 HZ PHE 13 HZ PHE 13 -12.480 0.000 4.706 94 H LEU 14 H LEU 14 -16.504 2.571 10.229 95 HA LEU 14 HA LEU 14 -13.821 1.702 11.227 96 1HB LEU 14 1HB LEU 14 -13.458 3.690 10.008 97 2HB LEU 14 2HB LEU 14 -13.526 4.223 11.688 98 HG LEU 14 HG LEU 14 -16.193 4.298 10.825 99 1HD1 LEU 14 1HD1 LEU 14 -14.369 5.942 12.074 100 2HD1 LEU 14 2HD1 LEU 14 -16.025 6.391 11.673 101 3HD1 LEU 14 3HD1 LEU 14 -14.707 6.821 10.583 102 1HD2 LEU 14 1HD2 LEU 14 -15.393 4.080 8.490 103 2HD2 LEU 14 2HD2 LEU 14 -14.342 5.476 8.727 104 3HD2 LEU 14 3HD2 LEU 14 -16.094 5.672 8.778 105 H SER 15 H SER 15 -13.734 1.185 13.328 106 HA SER 15 HA SER 15 -15.973 1.844 15.118 107 1HB SER 15 1HB SER 15 -14.722 0.467 16.765 108 2HB SER 15 2HB SER 15 -13.388 0.335 15.623 109 HG SER 15 HG SER 15 -15.850 -0.912 15.610 110 H GLU 16 H GLU 16 -14.778 2.286 17.558 111 HA GLU 16 HA GLU 16 -14.113 5.062 17.470 112 1HB GLU 16 1HB GLU 16 -13.384 4.678 19.875 113 2HB GLU 16 2HB GLU 16 -13.735 2.968 19.625 114 1HG GLU 16 1HG GLU 16 -16.033 4.079 18.680 115 2HG GLU 16 2HG GLU 16 -15.595 5.266 19.909 116 H GLU 17 H GLU 17 -12.077 2.195 17.275 117 HA GLU 17 HA GLU 17 -9.580 3.469 17.920 118 1HB GLU 17 1HB GLU 17 -9.039 1.438 16.051 119 2HB GLU 17 2HB GLU 17 -10.477 0.890 16.908 120 1HG GLU 17 1HG GLU 17 -8.821 1.940 18.913 121 2HG GLU 17 2HG GLU 17 -7.723 1.063 17.848 122 H MET 18 H MET 18 -11.160 2.736 14.790 123 HA MET 18 HA MET 18 -9.254 4.115 13.146 124 1HB MET 18 1HB MET 18 -11.751 4.364 11.900 125 2HB MET 18 2HB MET 18 -11.863 2.869 12.818 126 1HG MET 18 1HG MET 18 -10.969 2.544 10.495 127 2HG MET 18 2HG MET 18 -9.864 1.996 11.755 128 1HE MET 18 1HE MET 18 -7.153 2.873 11.618 129 2HE MET 18 2HE MET 18 -7.022 3.013 9.866 130 3HE MET 18 3HE MET 18 -8.085 1.795 10.568 131 H ILE 19 H ILE 19 -12.413 5.101 14.451 132 HA ILE 19 HA ILE 19 -12.572 7.737 13.511 133 HB ILE 19 HB ILE 19 -13.411 6.601 16.195 134 1HG1 ILE 19 1HG1 ILE 19 -14.402 5.797 13.934 135 2HG1 ILE 19 2HG1 ILE 19 -15.162 7.388 13.865 136 1HG2 ILE 19 1HG2 ILE 19 -13.825 9.330 14.974 137 2HG2 ILE 19 2HG2 ILE 19 -13.344 8.922 16.621 138 3HG2 ILE 19 3HG2 ILE 19 -15.007 8.656 16.096 139 1HD1 ILE 19 1HD1 ILE 19 -16.170 5.152 15.182 140 2HD1 ILE 19 2HD1 ILE 19 -16.699 6.818 15.422 141 3HD1 ILE 19 3HD1 ILE 19 -15.473 6.120 16.482 142 H ALA 20 H ALA 20 -10.666 6.511 16.256 143 HA ALA 20 HA ALA 20 -9.849 9.030 17.323 144 1HB ALA 20 1HB ALA 20 -9.505 6.723 18.354 145 2HB ALA 20 2HB ALA 20 -8.125 7.820 18.458 146 3HB ALA 20 3HB ALA 20 -8.141 6.534 17.251 147 H GLU 21 H GLU 21 -8.363 6.961 14.814 148 HA GLU 21 HA GLU 21 -6.114 8.683 14.303 149 1HB GLU 21 1HB GLU 21 -6.123 7.459 12.036 150 2HB GLU 21 2HB GLU 21 -7.510 6.561 12.655 151 1HG GLU 21 1HG GLU 21 -5.809 6.316 14.758 152 2HG GLU 21 2HG GLU 21 -4.646 6.411 13.436 153 H PHE 22 H PHE 22 -9.404 8.502 12.959 154 HA PHE 22 HA PHE 22 -9.018 10.513 10.924 155 1HB PHE 22 1HB PHE 22 -11.493 10.637 10.893 156 2HB PHE 22 2HB PHE 22 -11.557 9.678 12.364 157 HD1 PHE 22 HD1 PHE 22 -9.382 9.296 9.330 158 HD2 PHE 22 HD2 PHE 22 -12.503 7.610 11.755 159 HE1 PHE 22 HE1 PHE 22 -9.318 7.223 7.974 160 HE2 PHE 22 HE2 PHE 22 -12.433 5.539 10.400 161 HZ PHE 22 HZ PHE 22 -10.844 5.344 8.509 162 H LYS 23 H LYS 23 -9.725 10.618 14.372 163 HA LYS 23 HA LYS 23 -10.678 13.316 14.531 164 1HB LYS 23 1HB LYS 23 -9.266 12.777 16.910 165 2HB LYS 23 2HB LYS 23 -9.871 11.214 16.365 166 1HG LYS 23 1HG LYS 23 -11.711 11.962 17.554 167 2HG LYS 23 2HG LYS 23 -12.100 12.607 15.961 168 1HD LYS 23 1HD LYS 23 -11.349 14.788 16.550 169 2HD LYS 23 2HD LYS 23 -10.522 14.196 17.990 170 1HE LYS 23 1HE LYS 23 -12.978 13.375 18.622 171 2HE LYS 23 2HE LYS 23 -13.439 14.687 17.539 172 1HZ LYS 23 1HZ LYS 23 -11.559 14.983 19.818 173 2HZ LYS 23 2HZ LYS 23 -13.211 15.376 19.880 174 3HZ LYS 23 3HZ LYS 23 -12.172 16.224 18.837 175 H ALA 24 H ALA 24 -7.386 11.943 14.663 176 HA ALA 24 HA ALA 24 -5.939 14.234 15.424 177 1HB ALA 24 1HB ALA 24 -4.923 11.991 15.144 178 2HB ALA 24 2HB ALA 24 -4.022 13.224 14.261 179 3HB ALA 24 3HB ALA 24 -5.108 12.137 13.396 180 H ALA 25 H ALA 25 -6.693 13.191 12.092 181 HA ALA 25 HA ALA 25 -5.645 15.600 10.882 182 1HB ALA 25 1HB ALA 25 -5.880 13.456 9.657 183 2HB ALA 25 2HB ALA 25 -6.715 14.772 8.829 184 3HB ALA 25 3HB ALA 25 -7.633 13.597 9.769 185 H PHE 26 H PHE 26 -8.778 14.740 12.222 186 HA PHE 26 HA PHE 26 -10.304 16.793 10.898 187 1HB PHE 26 1HB PHE 26 -10.991 15.677 13.615 188 2HB PHE 26 2HB PHE 26 -11.153 14.694 12.158 189 HD1 PHE 26 HD1 PHE 26 -12.329 17.741 13.901 190 HD2 PHE 26 HD2 PHE 26 -12.865 15.166 10.502 191 HE1 PHE 26 HE1 PHE 26 -14.476 18.866 13.387 192 HE2 PHE 26 HE2 PHE 26 -15.016 16.292 9.992 193 HZ PHE 26 HZ PHE 26 -15.820 18.140 11.434 194 H ASP 27 H ASP 27 -8.704 16.716 14.126 195 HA ASP 27 HA ASP 27 -9.625 19.324 14.892 196 1HB ASP 27 1HB ASP 27 -8.781 17.795 16.581 197 2HB ASP 27 2HB ASP 27 -7.816 19.270 16.594 198 H MET 28 H MET 28 -7.097 18.382 12.685 199 HA MET 28 HA MET 28 -5.511 20.792 12.887 200 1HB MET 28 1HB MET 28 -4.446 20.104 10.859 201 2HB MET 28 2HB MET 28 -5.840 19.149 10.363 202 1HG MET 28 1HG MET 28 -4.086 17.661 11.172 203 2HG MET 28 2HG MET 28 -5.442 17.636 12.295 204 1HE MET 28 1HE MET 28 -2.347 20.297 11.830 205 2HE MET 28 2HE MET 28 -2.057 18.625 11.354 206 3HE MET 28 3HE MET 28 -1.247 19.282 12.775 207 H PHE 29 H PHE 29 -8.021 19.749 10.587 208 HA PHE 29 HA PHE 29 -8.240 22.269 9.240 209 1HB PHE 29 1HB PHE 29 -10.692 21.275 8.862 210 2HB PHE 29 2HB PHE 29 -9.917 19.811 9.465 211 HD1 PHE 29 HD1 PHE 29 -7.934 18.863 8.286 212 HD2 PHE 29 HD2 PHE 29 -10.157 22.181 6.698 213 HE1 PHE 29 HE1 PHE 29 -6.897 18.495 6.064 214 HE2 PHE 29 HE2 PHE 29 -9.118 21.811 4.477 215 HZ PHE 29 HZ PHE 29 -7.490 19.968 4.159 216 H ASP 30 H ASP 30 -9.571 21.028 12.213 217 HA ASP 30 HA ASP 30 -11.479 23.244 12.539 218 1HB ASP 30 1HB ASP 30 -10.752 21.480 14.821 219 2HB ASP 30 2HB ASP 30 -11.542 20.713 13.442 220 H ALA 31 H ALA 31 -8.816 24.167 12.232 221 HA ALA 31 HA ALA 31 -7.431 24.641 14.683 222 1HB ALA 31 1HB ALA 31 -7.463 26.449 12.251 223 2HB ALA 31 2HB ALA 31 -6.496 24.979 12.363 224 3HB ALA 31 3HB ALA 31 -6.190 26.322 13.465 225 H ASP 32 H ASP 32 -10.192 26.253 13.203 226 HA ASP 32 HA ASP 32 -10.037 28.563 15.010 227 1HB ASP 32 1HB ASP 32 -12.201 29.200 13.966 228 2HB ASP 32 2HB ASP 32 -12.215 27.666 13.096 229 H GLY 33 H GLY 33 -11.897 25.540 14.764 230 1HA GLY 33 1HA GLY 33 -13.005 26.116 17.487 231 2HA GLY 33 2HA GLY 33 -12.521 24.506 16.961 232 H GLY 34 H GLY 34 -14.882 24.156 17.715 233 1HA GLY 34 1HA GLY 34 -16.728 24.645 15.403 234 2HA GLY 34 2HA GLY 34 -17.281 24.674 17.077 235 H GLY 35 H GLY 35 -15.156 22.416 15.286 236 1HA GLY 35 1HA GLY 35 -16.835 20.168 16.304 237 2HA GLY 35 2HA GLY 35 -15.151 20.021 15.809 238 H ASP 36 H ASP 36 -16.058 21.881 13.409 239 HA ASP 36 HA ASP 36 -16.790 19.604 11.661 240 1HB ASP 36 1HB ASP 36 -18.721 20.567 10.757 241 2HB ASP 36 2HB ASP 36 -18.283 22.184 11.293 242 H ILE 37 H ILE 37 -16.507 20.221 9.321 243 HA ILE 37 HA ILE 37 -14.270 22.184 9.067 244 HB ILE 37 HB ILE 37 -15.079 20.261 6.897 245 1HG1 ILE 37 1HG1 ILE 37 -13.501 18.591 7.852 246 2HG1 ILE 37 2HG1 ILE 37 -14.886 18.859 8.908 247 1HG2 ILE 37 1HG2 ILE 37 -13.055 20.767 5.992 248 2HG2 ILE 37 2HG2 ILE 37 -12.251 20.827 7.561 249 3HG2 ILE 37 3HG2 ILE 37 -13.191 22.209 6.998 250 1HD1 ILE 37 1HD1 ILE 37 -12.214 20.259 9.232 251 2HD1 ILE 37 2HD1 ILE 37 -12.681 18.811 10.123 252 3HD1 ILE 37 3HD1 ILE 37 -13.578 20.312 10.348 253 H SER 38 H SER 38 -15.409 24.137 8.809 254 HA SER 38 HA SER 38 -17.637 24.275 6.887 255 1HB SER 38 1HB SER 38 -17.741 26.661 7.549 256 2HB SER 38 2HB SER 38 -16.268 26.456 8.496 257 HG SER 38 HG SER 38 -18.830 25.739 9.094 258 H THR 39 H THR 39 -17.554 26.154 5.242 259 HA THR 39 HA THR 39 -15.434 25.701 3.382 260 HB THR 39 HB THR 39 -17.029 28.253 3.351 261 HG1 THR 39 HG1 THR 39 -18.833 27.210 2.965 262 1HG2 THR 39 1HG2 THR 39 -16.420 28.279 1.183 263 2HG2 THR 39 2HG2 THR 39 -16.906 26.599 0.957 264 3HG2 THR 39 3HG2 THR 39 -15.300 26.975 1.581 265 H LYS 40 H LYS 40 -16.026 28.472 5.582 266 HA LYS 40 HA LYS 40 -13.719 29.972 4.848 267 1HB LYS 40 1HB LYS 40 -15.411 31.045 6.190 268 2HB LYS 40 2HB LYS 40 -13.927 31.006 7.138 269 1HG LYS 40 1HG LYS 40 -14.720 29.294 8.546 270 2HG LYS 40 2HG LYS 40 -15.985 28.817 7.413 271 1HD LYS 40 1HD LYS 40 -17.353 30.618 7.984 272 2HD LYS 40 2HD LYS 40 -16.000 31.601 8.543 273 1HE LYS 40 1HE LYS 40 -16.671 30.982 10.624 274 2HE LYS 40 2HE LYS 40 -15.888 29.445 10.257 275 1HZ LYS 40 1HZ LYS 40 -18.181 29.165 11.021 276 2HZ LYS 40 2HZ LYS 40 -17.970 28.589 9.436 277 3HZ LYS 40 3HZ LYS 40 -18.737 30.082 9.707 278 H GLU 41 H GLU 41 -14.130 27.477 7.367 279 HA GLU 41 HA GLU 41 -11.464 27.633 8.413 280 1HB GLU 41 1HB GLU 41 -12.039 25.117 9.008 281 2HB GLU 41 2HB GLU 41 -13.655 25.580 8.471 282 1HG GLU 41 1HG GLU 41 -13.737 27.378 10.102 283 2HG GLU 41 2HG GLU 41 -12.051 27.111 10.542 284 H LEU 42 H LEU 42 -12.866 25.775 5.727 285 HA LEU 42 HA LEU 42 -10.641 24.064 5.214 286 1HB LEU 42 1HB LEU 42 -11.592 24.143 2.796 287 2HB LEU 42 2HB LEU 42 -12.861 25.153 3.488 288 HG LEU 42 HG LEU 42 -12.940 23.192 5.290 289 1HD1 LEU 42 1HD1 LEU 42 -14.810 22.277 4.096 290 2HD1 LEU 42 2HD1 LEU 42 -14.142 22.776 2.542 291 3HD1 LEU 42 3HD1 LEU 42 -14.738 23.988 3.676 292 1HD2 LEU 42 1HD2 LEU 42 -11.194 21.792 4.517 293 2HD2 LEU 42 2HD2 LEU 42 -11.667 21.988 2.830 294 3HD2 LEU 42 3HD2 LEU 42 -12.657 21.014 3.916 295 H GLY 43 H GLY 43 -11.490 27.170 3.613 296 1HA GLY 43 1HA GLY 43 -10.118 28.769 2.581 297 2HA GLY 43 2HA GLY 43 -9.227 27.386 1.955 298 H THR 44 H THR 44 -9.590 28.484 5.335 299 HA THR 44 HA THR 44 -6.999 29.698 5.549 300 HB THR 44 HB THR 44 -8.430 28.364 7.855 301 HG1 THR 44 HG1 THR 44 -10.058 29.561 7.286 302 1HG2 THR 44 1HG2 THR 44 -7.046 31.038 7.811 303 2HG2 THR 44 2HG2 THR 44 -6.116 29.548 7.986 304 3HG2 THR 44 3HG2 THR 44 -7.343 29.968 9.181 305 H VAL 45 H VAL 45 -8.125 26.372 6.159 306 HA VAL 45 HA VAL 45 -5.591 25.432 7.181 307 HB VAL 45 HB VAL 45 -7.887 23.880 5.941 308 1HG1 VAL 45 1HG1 VAL 45 -5.806 22.570 5.984 309 2HG1 VAL 45 2HG1 VAL 45 -6.926 21.969 7.206 310 3HG1 VAL 45 3HG1 VAL 45 -5.565 22.985 7.682 311 1HG2 VAL 45 1HG2 VAL 45 -8.084 25.395 8.140 312 2HG2 VAL 45 2HG2 VAL 45 -7.330 23.981 8.875 313 3HG2 VAL 45 3HG2 VAL 45 -8.870 23.821 8.029 314 H MET 46 H MET 46 -6.985 25.642 3.914 315 HA MET 46 HA MET 46 -5.050 23.959 2.616 316 1HB MET 46 1HB MET 46 -5.794 24.957 0.545 317 2HB MET 46 2HB MET 46 -6.441 26.359 1.394 318 1HG MET 46 1HG MET 46 -8.381 25.303 1.810 319 2HG MET 46 2HG MET 46 -7.548 23.893 2.459 320 1HE MET 46 1HE MET 46 -8.487 21.658 1.366 321 2HE MET 46 2HE MET 46 -9.707 21.960 0.132 322 3HE MET 46 3HE MET 46 -9.717 22.902 1.620 323 NH1 ARG 47 NH1 ARG 47 -6.608 33.735 2.038 324 NH2 ARG 47 NH2 ARG 47 -4.848 34.109 0.653 325 H ARG 47 H ARG 47 -5.192 27.511 3.003 326 HA ARG 47 HA ARG 47 -2.616 28.003 1.829 327 1HB ARG 47 1HB ARG 47 -2.917 30.159 3.392 328 2HB ARG 47 2HB ARG 47 -4.574 29.561 3.447 329 1HG ARG 47 1HG ARG 47 -4.024 29.293 0.793 330 2HG ARG 47 2HG ARG 47 -3.047 30.704 1.187 331 1HD ARG 47 1HD ARG 47 -5.916 30.511 2.094 332 2HD ARG 47 2HD ARG 47 -5.517 31.090 0.477 333 HE ARG 47 HE ARG 47 -4.177 32.412 2.773 334 1HH1 ARG 47 1HH1 ARG 47 -7.066 34.549 1.680 335 2HH1 ARG 47 2HH1 ARG 47 -7.051 33.184 2.747 336 1HH2 ARG 47 1HH2 ARG 47 -3.948 33.844 0.305 337 2HH2 ARG 47 2HH2 ARG 47 -5.303 34.924 0.293 338 H MET 48 H MET 48 -3.536 26.834 4.983 339 HA MET 48 HA MET 48 -1.239 27.740 6.450 340 1HB MET 48 1HB MET 48 -3.546 26.328 7.068 341 2HB MET 48 2HB MET 48 -2.218 26.645 8.177 342 1HG MET 48 1HG MET 48 -1.190 24.506 7.644 343 2HG MET 48 2HG MET 48 -2.387 24.204 6.384 344 1HE MET 48 1HE MET 48 -1.639 24.313 10.232 345 2HE MET 48 2HE MET 48 -1.281 22.887 9.262 346 3HE MET 48 3HE MET 48 -2.510 22.801 10.521 347 H LEU 49 H LEU 49 -1.802 25.001 4.299 348 HA LEU 49 HA LEU 49 0.801 23.777 4.886 349 1HB LEU 49 1HB LEU 49 -0.975 23.149 2.523 350 2HB LEU 49 2HB LEU 49 -1.348 22.551 4.138 351 HG LEU 49 HG LEU 49 1.313 21.915 3.925 352 1HD1 LEU 49 1HD1 LEU 49 -0.295 20.346 4.738 353 2HD1 LEU 49 2HD1 LEU 49 0.426 19.596 3.314 354 3HD1 LEU 49 3HD1 LEU 49 -1.169 20.341 3.205 355 1HD2 LEU 49 1HD2 LEU 49 1.830 22.237 1.714 356 2HD2 LEU 49 2HD2 LEU 49 0.146 22.139 1.200 357 3HD2 LEU 49 3HD2 LEU 49 1.054 20.664 1.530 358 H GLY 50 H GLY 50 -0.562 26.033 2.537 359 1HA GLY 50 1HA GLY 50 2.072 26.050 1.109 360 2HA GLY 50 2HA GLY 50 1.271 27.545 1.582 361 H GLN 51 H GLN 51 -1.205 25.491 0.723 362 HA GLN 51 HA GLN 51 -0.982 25.878 -2.195 363 1HB GLN 51 1HB GLN 51 -3.442 24.829 -0.824 364 2HB GLN 51 2HB GLN 51 -2.001 23.816 -0.903 365 1HG GLN 51 1HG GLN 51 -2.015 23.802 -3.278 366 2HG GLN 51 2HG GLN 51 -3.133 25.164 -3.359 367 1HE2 GLN 51 1HE2 GLN 51 -5.419 24.714 -2.559 368 2HE2 GLN 51 2HE2 GLN 51 -6.027 23.134 -2.687 369 H ASN 52 H ASN 52 -2.481 27.173 -3.395 370 HA ASN 52 HA ASN 52 -3.996 29.164 -1.746 371 1HB ASN 52 1HB ASN 52 -3.559 30.647 -3.878 372 2HB ASN 52 2HB ASN 52 -2.229 29.524 -4.153 373 1HD2 ASN 52 1HD2 ASN 52 -2.489 32.491 -3.085 374 2HD2 ASN 52 2HD2 ASN 52 -1.458 32.487 -1.738 375 HA PRO 53 HA PRO 53 -6.990 27.067 -4.556 376 1HB PRO 53 1HB PRO 53 -7.528 25.470 -2.980 377 2HB PRO 53 2HB PRO 53 -8.848 26.586 -2.586 378 1HG PRO 53 1HG PRO 53 -6.899 25.777 -0.785 379 2HG PRO 53 2HG PRO 53 -7.811 27.286 -0.635 380 1HD PRO 53 1HD PRO 53 -4.977 26.890 -1.323 381 2HD PRO 53 2HD PRO 53 -5.813 28.392 -0.874 382 H THR 54 H THR 54 -9.530 27.645 -4.596 383 HA THR 54 HA THR 54 -9.717 30.603 -4.272 384 HB THR 54 HB THR 54 -11.876 29.339 -5.782 385 HG1 THR 54 HG1 THR 54 -9.243 29.120 -6.817 386 1HG2 THR 54 1HG2 THR 54 -11.571 31.670 -5.981 387 2HG2 THR 54 2HG2 THR 54 -10.945 31.015 -7.496 388 3HG2 THR 54 3HG2 THR 54 -9.831 31.506 -6.219 389 H LYS 55 H LYS 55 -11.544 31.516 -3.241 390 HA LYS 55 HA LYS 55 -12.693 29.973 -1.088 391 1HB LYS 55 1HB LYS 55 -14.180 32.039 -0.839 392 2HB LYS 55 2HB LYS 55 -13.319 32.710 -2.224 393 1HG LYS 55 1HG LYS 55 -11.182 32.019 -0.809 394 2HG LYS 55 2HG LYS 55 -12.312 32.121 0.541 395 1HD LYS 55 1HD LYS 55 -12.955 34.426 -0.324 396 2HD LYS 55 2HD LYS 55 -11.588 34.303 -1.431 397 1HE LYS 55 1HE LYS 55 -10.550 35.351 0.356 398 2HE LYS 55 2HE LYS 55 -10.291 33.667 0.809 399 1HZ LYS 55 1HZ LYS 55 -11.166 34.948 2.656 400 2HZ LYS 55 2HZ LYS 55 -12.281 33.760 2.176 401 3HZ LYS 55 3HZ LYS 55 -12.527 35.386 1.744 402 H GLU 56 H GLU 56 -14.038 31.230 -4.156 403 HA GLU 56 HA GLU 56 -16.653 30.079 -3.769 404 1HB GLU 56 1HB GLU 56 -16.322 31.908 -5.360 405 2HB GLU 56 2HB GLU 56 -16.949 30.495 -6.207 406 1HG GLU 56 1HG GLU 56 -14.508 29.916 -6.739 407 2HG GLU 56 2HG GLU 56 -14.108 31.540 -6.181 408 H GLU 57 H GLU 57 -13.624 28.831 -5.040 409 HA GLU 57 HA GLU 57 -14.734 26.492 -6.335 410 1HB GLU 57 1HB GLU 57 -11.954 26.576 -5.180 411 2HB GLU 57 2HB GLU 57 -12.359 27.590 -6.564 412 1HG GLU 57 1HG GLU 57 -11.637 25.662 -7.643 413 2HG GLU 57 2HG GLU 57 -13.365 25.339 -7.524 414 H LEU 58 H LEU 58 -13.424 27.174 -3.101 415 HA LEU 58 HA LEU 58 -13.586 24.484 -2.107 416 1HB LEU 58 1HB LEU 58 -13.950 26.156 0.095 417 2HB LEU 58 2HB LEU 58 -13.040 27.152 -1.042 418 HG LEU 58 HG LEU 58 -11.474 25.169 -1.334 419 1HD1 LEU 58 1HD1 LEU 58 -10.686 26.986 -0.009 420 2HD1 LEU 58 2HD1 LEU 58 -10.407 25.547 0.973 421 3HD1 LEU 58 3HD1 LEU 58 -11.783 26.595 1.315 422 1HD2 LEU 58 1HD2 LEU 58 -13.192 24.200 0.957 423 2HD2 LEU 58 2HD2 LEU 58 -11.536 23.632 0.748 424 3HD2 LEU 58 3HD2 LEU 58 -12.735 23.334 -0.511 425 H ASP 59 H ASP 59 -15.914 27.115 -2.314 426 HA ASP 59 HA ASP 59 -17.916 26.028 -0.594 427 1HB ASP 59 1HB ASP 59 -19.381 27.382 -2.427 428 2HB ASP 59 2HB ASP 59 -17.793 28.069 -2.753 429 H ALA 60 H ALA 60 -17.159 25.507 -4.027 430 HA ALA 60 HA ALA 60 -19.472 23.824 -4.554 431 1HB ALA 60 1HB ALA 60 -18.177 23.176 -6.613 432 2HB ALA 60 2HB ALA 60 -16.830 24.146 -6.019 433 3HB ALA 60 3HB ALA 60 -18.365 24.918 -6.423 434 H ILE 61 H ILE 61 -16.139 23.275 -3.504 435 HA ILE 61 HA ILE 61 -15.993 20.461 -3.789 436 HB ILE 61 HB ILE 61 -14.695 22.478 -1.972 437 1HG1 ILE 61 1HG1 ILE 61 -14.100 21.848 -4.454 438 2HG1 ILE 61 2HG1 ILE 61 -13.340 20.436 -3.719 439 1HG2 ILE 61 1HG2 ILE 61 -14.894 20.622 -0.460 440 2HG2 ILE 61 2HG2 ILE 61 -13.256 20.558 -1.108 441 3HG2 ILE 61 3HG2 ILE 61 -14.491 19.463 -1.726 442 1HD1 ILE 61 1HD1 ILE 61 -12.193 22.142 -2.135 443 2HD1 ILE 61 2HD1 ILE 61 -12.675 23.352 -3.325 444 3HD1 ILE 61 3HD1 ILE 61 -11.602 22.034 -3.793 445 H ILE 62 H ILE 62 -17.552 22.436 -1.285 446 HA ILE 62 HA ILE 62 -18.193 20.065 0.349 447 HB ILE 62 HB ILE 62 -19.250 22.881 0.709 448 1HG1 ILE 62 1HG1 ILE 62 -16.730 22.810 0.632 449 2HG1 ILE 62 2HG1 ILE 62 -16.770 21.651 1.961 450 1HG2 ILE 62 1HG2 ILE 62 -18.942 20.454 2.500 451 2HG2 ILE 62 2HG2 ILE 62 -20.444 21.233 2.005 452 3HG2 ILE 62 3HG2 ILE 62 -19.344 22.059 3.108 453 1HD1 ILE 62 1HD1 ILE 62 -18.363 24.116 2.364 454 2HD1 ILE 62 2HD1 ILE 62 -16.615 24.343 2.320 455 3HD1 ILE 62 3HD1 ILE 62 -17.334 23.243 3.497 456 H GLU 63 H GLU 63 -19.801 22.279 -1.899 457 HA GLU 63 HA GLU 63 -22.499 21.547 -1.485 458 1HB GLU 63 1HB GLU 63 -22.040 21.832 -4.300 459 2HB GLU 63 2HB GLU 63 -21.000 22.975 -3.451 460 1HG GLU 63 1HG GLU 63 -23.914 22.666 -2.736 461 2HG GLU 63 2HG GLU 63 -23.390 23.742 -4.029 462 H GLU 64 H GLU 64 -20.074 20.057 -3.620 463 HA GLU 64 HA GLU 64 -21.799 17.970 -4.608 464 1HB GLU 64 1HB GLU 64 -18.929 17.313 -4.381 465 2HB GLU 64 2HB GLU 64 -19.255 18.841 -5.195 466 1HG GLU 64 1HG GLU 64 -19.249 17.124 -6.885 467 2HG GLU 64 2HG GLU 64 -20.929 17.603 -6.640 468 H VAL 65 H VAL 65 -19.587 18.200 -1.847 469 HA VAL 65 HA VAL 65 -19.821 15.447 -1.016 470 HB VAL 65 HB VAL 65 -19.036 17.961 0.490 471 1HG1 VAL 65 1HG1 VAL 65 -19.634 16.476 2.216 472 2HG1 VAL 65 2HG1 VAL 65 -17.909 16.170 2.006 473 3HG1 VAL 65 3HG1 VAL 65 -19.093 15.062 1.312 474 1HG2 VAL 65 1HG2 VAL 65 -16.803 17.354 0.010 475 2HG2 VAL 65 2HG2 VAL 65 -17.654 17.030 -1.500 476 3HG2 VAL 65 3HG2 VAL 65 -17.253 15.701 -0.413 477 H ASP 66 H ASP 66 -21.803 18.298 -0.486 478 HA ASP 66 HA ASP 66 -23.273 17.320 1.794 479 1HB ASP 66 1HB ASP 66 -24.934 19.123 1.098 480 2HB ASP 66 2HB ASP 66 -23.871 19.467 -0.265 481 H GLU 67 H GLU 67 -23.514 15.105 0.773 482 HA GLU 67 HA GLU 67 -25.264 14.609 -1.434 483 1HB GLU 67 1HB GLU 67 -25.324 12.597 0.724 484 2HB GLU 67 2HB GLU 67 -23.701 13.041 0.196 485 1HG GLU 67 1HG GLU 67 -25.837 12.425 -1.838 486 2HG GLU 67 2HG GLU 67 -24.956 11.113 -1.051 487 H ASP 68 H ASP 68 -25.916 14.821 2.072 488 HA ASP 68 HA ASP 68 -28.794 14.401 1.665 489 1HB ASP 68 1HB ASP 68 -28.794 15.086 4.182 490 2HB ASP 68 2HB ASP 68 -27.038 14.962 4.053 491 H GLY 69 H GLY 69 -26.588 17.125 2.186 492 1HA GLY 69 1HA GLY 69 -28.888 18.959 1.664 493 2HA GLY 69 2HA GLY 69 -27.214 19.310 1.234 494 H SER 70 H SER 70 -25.737 19.011 3.385 495 HA SER 70 HA SER 70 -27.111 20.195 5.739 496 1HB SER 70 1HB SER 70 -24.219 19.322 5.497 497 2HB SER 70 2HB SER 70 -25.523 18.238 5.976 498 HG SER 70 HG SER 70 -24.191 19.911 7.506 499 H GLY 71 H GLY 71 -24.115 20.826 3.855 500 1HA GLY 71 1HA GLY 71 -24.302 23.684 4.699 501 2HA GLY 71 2HA GLY 71 -24.114 23.285 2.992 502 H THR 72 H THR 72 -22.598 22.450 6.128 503 HA THR 72 HA THR 72 -19.929 22.853 4.844 504 HB THR 72 HB THR 72 -19.099 23.114 7.188 505 HG1 THR 72 HG1 THR 72 -20.404 22.252 8.591 506 1HG2 THR 72 1HG2 THR 72 -19.697 25.118 5.964 507 2HG2 THR 72 2HG2 THR 72 -20.258 25.295 7.627 508 3HG2 THR 72 3HG2 THR 72 -21.404 24.892 6.349 509 H ILE 73 H ILE 73 -18.272 21.391 6.471 510 HA ILE 73 HA ILE 73 -19.269 18.615 5.991 511 HB ILE 73 HB ILE 73 -16.425 19.232 6.697 512 1HG1 ILE 73 1HG1 ILE 73 -17.006 20.839 4.897 513 2HG1 ILE 73 2HG1 ILE 73 -17.637 19.512 3.924 514 1HG2 ILE 73 1HG2 ILE 73 -17.240 16.898 6.518 515 2HG2 ILE 73 2HG2 ILE 73 -16.006 17.262 5.312 516 3HG2 ILE 73 3HG2 ILE 73 -17.706 17.209 4.846 517 1HD1 ILE 73 1HD1 ILE 73 -14.786 19.585 4.946 518 2HD1 ILE 73 2HD1 ILE 73 -15.255 20.248 3.381 519 3HD1 ILE 73 3HD1 ILE 73 -15.461 18.527 3.706 520 H ASP 74 H ASP 74 -19.498 17.211 7.667 521 HA ASP 74 HA ASP 74 -18.992 18.242 10.421 522 1HB ASP 74 1HB ASP 74 -20.588 16.313 11.033 523 2HB ASP 74 2HB ASP 74 -20.914 16.195 9.308 524 H PHE 75 H PHE 75 -18.718 16.150 11.974 525 HA PHE 75 HA PHE 75 -16.177 14.976 11.218 526 1HB PHE 75 1HB PHE 75 -17.923 14.012 13.490 527 2HB PHE 75 2HB PHE 75 -16.972 15.493 13.612 528 HD1 PHE 75 HD1 PHE 75 -14.572 15.427 13.827 529 HD2 PHE 75 HD2 PHE 75 -16.793 11.817 13.132 530 HE1 PHE 75 HE1 PHE 75 -12.550 14.085 14.331 531 HE2 PHE 75 HE2 PHE 75 -14.770 10.476 13.637 532 HZ PHE 75 HZ PHE 75 -12.648 11.610 14.236 533 H GLU 76 H GLU 76 -19.459 13.613 11.702 534 HA GLU 76 HA GLU 76 -18.764 10.975 10.799 535 1HB GLU 76 1HB GLU 76 -21.322 10.880 10.310 536 2HB GLU 76 2HB GLU 76 -21.367 12.486 11.038 537 1HG GLU 76 1HG GLU 76 -20.014 11.367 12.980 538 2HG GLU 76 2HG GLU 76 -20.619 9.855 12.300 539 H GLU 77 H GLU 77 -19.376 13.951 9.102 540 HA GLU 77 HA GLU 77 -20.012 12.733 6.527 541 1HB GLU 77 1HB GLU 77 -18.682 15.415 6.703 542 2HB GLU 77 2HB GLU 77 -20.291 15.256 7.405 543 1HG GLU 77 1HG GLU 77 -20.449 15.970 5.055 544 2HG GLU 77 2HG GLU 77 -21.131 14.357 5.254 545 H PHE 78 H PHE 78 -17.180 13.940 8.227 546 HA PHE 78 HA PHE 78 -15.220 13.500 6.203 547 1HB PHE 78 1HB PHE 78 -15.086 13.522 9.231 548 2HB PHE 78 2HB PHE 78 -14.754 14.871 8.152 549 HD1 PHE 78 HD1 PHE 78 -13.523 11.585 9.345 550 HD2 PHE 78 HD2 PHE 78 -12.636 15.074 6.999 551 HE1 PHE 78 HE1 PHE 78 -11.149 10.887 9.205 552 HE2 PHE 78 HE2 PHE 78 -10.259 14.373 6.866 553 HZ PHE 78 HZ PHE 78 -9.518 12.281 7.965 554 H LEU 79 H LEU 79 -16.667 11.393 8.680 555 HA LEU 79 HA LEU 79 -14.855 9.171 8.252 556 1HB LEU 79 1HB LEU 79 -16.457 7.856 9.535 557 2HB LEU 79 2HB LEU 79 -17.688 9.095 9.316 558 HG LEU 79 HG LEU 79 -16.248 10.702 10.565 559 1HD1 LEU 79 1HD1 LEU 79 -16.574 8.210 12.230 560 2HD1 LEU 79 2HD1 LEU 79 -17.978 9.091 11.627 561 3HD1 LEU 79 3HD1 LEU 79 -16.831 9.890 12.702 562 1HD2 LEU 79 1HD2 LEU 79 -14.275 8.717 10.088 563 2HD2 LEU 79 2HD2 LEU 79 -14.525 8.768 11.833 564 3HD2 LEU 79 3HD2 LEU 79 -14.078 10.236 10.963 565 H VAL 80 H VAL 80 -18.225 9.780 7.156 566 HA VAL 80 HA VAL 80 -18.354 7.446 5.488 567 HB VAL 80 HB VAL 80 -20.314 8.864 6.327 568 1HG1 VAL 80 1HG1 VAL 80 -21.020 10.706 4.832 569 2HG1 VAL 80 2HG1 VAL 80 -19.517 10.536 3.925 570 3HG1 VAL 80 3HG1 VAL 80 -19.477 11.058 5.609 571 1HG2 VAL 80 1HG2 VAL 80 -21.691 8.246 4.456 572 2HG2 VAL 80 2HG2 VAL 80 -20.415 7.034 4.574 573 3HG2 VAL 80 3HG2 VAL 80 -20.317 8.301 3.351 574 H MET 81 H MET 81 -17.061 10.670 4.985 575 HA MET 81 HA MET 81 -16.850 10.515 2.107 576 1HB MET 81 1HB MET 81 -15.718 12.247 4.286 577 2HB MET 81 2HB MET 81 -16.686 12.708 2.891 578 1HG MET 81 1HG MET 81 -14.634 11.988 1.483 579 2HG MET 81 2HG MET 81 -13.753 12.054 3.009 580 1HE MET 81 1HE MET 81 -14.014 13.991 4.652 581 2HE MET 81 2HE MET 81 -13.548 15.585 4.063 582 3HE MET 81 3HE MET 81 -12.528 14.191 3.714 583 H MET 82 H MET 82 -14.713 9.743 4.844 584 HA MET 82 HA MET 82 -12.481 8.917 3.165 585 1HB MET 82 1HB MET 82 -13.019 7.979 5.992 586 2HB MET 82 2HB MET 82 -12.406 9.596 5.650 587 1HG MET 82 1HG MET 82 -11.043 7.188 4.464 588 2HG MET 82 2HG MET 82 -10.705 7.661 6.129 589 1HE MET 82 1HE MET 82 -8.013 8.682 3.262 590 2HE MET 82 2HE MET 82 -9.519 8.336 2.417 591 3HE MET 82 3HE MET 82 -8.982 7.273 3.715 592 H VAL 83 H VAL 83 -15.370 7.399 4.435 593 HA VAL 83 HA VAL 83 -14.593 4.660 4.002 594 HB VAL 83 HB VAL 83 -17.084 6.164 4.661 595 1HG1 VAL 83 1HG1 VAL 83 -18.407 4.011 4.434 596 2HG1 VAL 83 2HG1 VAL 83 -17.091 3.391 3.438 597 3HG1 VAL 83 3HG1 VAL 83 -18.008 4.802 2.909 598 1HG2 VAL 83 1HG2 VAL 83 -16.980 3.800 6.090 599 2HG2 VAL 83 2HG2 VAL 83 -16.309 5.342 6.620 600 3HG2 VAL 83 3HG2 VAL 83 -15.276 4.161 5.815 601 NH1 ARG 84 NH1 ARG 84 -17.997 12.673 -1.535 602 NH2 ARG 84 NH2 ARG 84 -19.973 11.685 -1.014 603 H ARG 84 H ARG 84 -16.077 7.144 1.936 604 HA ARG 84 HA ARG 84 -16.630 5.183 -0.194 605 1HB ARG 84 1HB ARG 84 -18.147 7.126 0.202 606 2HB ARG 84 2HB ARG 84 -17.539 7.049 -1.449 607 1HG ARG 84 1HG ARG 84 -15.652 8.632 -0.554 608 2HG ARG 84 2HG ARG 84 -16.790 8.954 0.756 609 1HD ARG 84 1HD ARG 84 -18.276 9.058 -1.661 610 2HD ARG 84 2HD ARG 84 -16.800 9.980 -1.941 611 HE ARG 84 HE ARG 84 -17.911 10.734 0.589 612 1HH1 ARG 84 1HH1 ARG 84 -18.486 13.419 -1.988 613 2HH1 ARG 84 2HH1 ARG 84 -16.997 12.678 -1.505 614 1HH2 ARG 84 1HH2 ARG 84 -20.480 10.935 -0.586 615 2HH2 ARG 84 2HH2 ARG 84 -20.467 12.429 -1.465 616 H GLN 85 H GLN 85 -13.806 6.365 0.842 617 HA GLN 85 HA GLN 85 -12.686 6.710 -1.910 618 1HB GLN 85 1HB GLN 85 -10.726 7.768 -0.554 619 2HB GLN 85 2HB GLN 85 -11.906 7.899 0.750 620 1HG GLN 85 1HG GLN 85 -13.421 9.136 -0.789 621 2HG GLN 85 2HG GLN 85 -12.188 9.049 -2.046 622 1HE2 GLN 85 1HE2 GLN 85 -13.050 10.564 1.030 623 2HE2 GLN 85 2HE2 GLN 85 -11.808 11.717 1.014 624 H MET 86 H MET 86 -12.516 4.924 1.109 625 HA MET 86 HA MET 86 -10.052 3.507 0.252 626 1HB MET 86 1HB MET 86 -10.717 2.264 2.539 627 2HB MET 86 2HB MET 86 -11.595 3.773 2.790 628 1HG MET 86 1HG MET 86 -9.637 5.064 2.741 629 2HG MET 86 2HG MET 86 -8.730 3.829 1.867 630 1HE MET 86 1HE MET 86 -7.479 5.291 4.062 631 2HE MET 86 2HE MET 86 -7.508 4.643 5.699 632 3HE MET 86 3HE MET 86 -8.885 5.563 5.099 633 H LYS 87 H LYS 87 -13.204 3.202 -0.610 634 HA LYS 87 HA LYS 87 -13.525 0.320 -0.194 635 1HB LYS 87 1HB LYS 87 -15.464 0.865 -1.961 636 2HB LYS 87 2HB LYS 87 -15.146 2.509 -1.408 637 1HG LYS 87 1HG LYS 87 -15.974 2.097 0.686 638 2HG LYS 87 2HG LYS 87 -15.331 0.455 0.726 639 1HD LYS 87 1HD LYS 87 -17.158 -0.028 -1.086 640 2HD LYS 87 2HD LYS 87 -17.901 1.454 -0.485 641 1HE LYS 87 1HE LYS 87 -18.402 0.528 1.569 642 2HE LYS 87 2HE LYS 87 -17.014 -0.557 1.536 643 1HZ LYS 87 1HZ LYS 87 -18.116 -1.950 -0.040 644 2HZ LYS 87 2HZ LYS 87 -19.407 -0.856 -0.198 645 3HZ LYS 87 3HZ LYS 87 -19.173 -1.696 1.261 646 H GLU 88 H GLU 88 -14.199 1.656 -3.371 647 HA GLU 88 HA GLU 88 -12.480 -0.433 -4.556 648 1HB GLU 88 1HB GLU 88 -14.036 1.487 -6.237 649 2HB GLU 88 2HB GLU 88 -14.934 0.322 -5.261 650 1HG GLU 88 1HG GLU 88 -13.814 -1.533 -6.309 651 2HG GLU 88 2HG GLU 88 -12.659 -0.462 -7.105 652 H ASP 89 H ASP 89 -12.593 3.086 -4.288 653 HA ASP 89 HA ASP 89 -10.757 3.785 -6.327 654 1HB ASP 89 1HB ASP 89 -11.032 5.094 -3.605 655 2HB ASP 89 2HB ASP 89 -12.084 5.415 -4.981 656 H ALA 90 H ALA 90 -10.035 3.104 -2.867 657 HA ALA 90 HA ALA 90 -7.159 3.134 -3.353 658 1HB ALA 90 1HB ALA 90 -8.791 2.199 -0.973 659 2HB ALA 90 2HB ALA 90 -8.003 3.766 -1.156 660 3HB ALA 90 3HB ALA 90 -7.030 2.303 -0.996 661 H LYS 91 H LYS 91 -6.592 1.526 -4.842 662 HA LYS 91 HA LYS 91 -7.661 -1.171 -4.738 663 1HB LYS 91 1HB LYS 91 -5.045 -0.424 -6.051 664 2HB LYS 91 2HB LYS 91 -6.584 0.070 -6.755 665 1HG LYS 91 1HG LYS 91 -6.443 -1.960 -7.798 666 2HG LYS 91 2HG LYS 91 -7.102 -2.555 -6.275 667 1HD LYS 91 1HD LYS 91 -4.980 -3.251 -5.500 668 2HD LYS 91 2HD LYS 91 -4.125 -2.244 -6.668 669 1HE LYS 91 1HE LYS 91 -5.953 -4.254 -7.845 670 2HE LYS 91 2HE LYS 91 -4.559 -4.921 -6.994 671 1HZ LYS 91 1HZ LYS 91 -4.478 -2.886 -9.157 672 2HZ LYS 91 2HZ LYS 91 -4.023 -4.517 -9.296 673 3HZ LYS 91 3HZ LYS 91 -3.126 -3.464 -8.308 674 H GLY 92 H GLY 92 -4.303 -0.048 -4.240 675 1HA GLY 92 1HA GLY 92 -3.317 -2.354 -2.962 676 2HA GLY 92 2HA GLY 92 -3.983 -1.334 -1.687 677 H LYS 93 H LYS 93 -3.309 1.200 -3.008 678 HA LYS 93 HA LYS 93 -0.397 1.156 -3.368 679 1HB LYS 93 1HB LYS 93 -1.634 2.635 -4.815 680 2HB LYS 93 2HB LYS 93 -0.710 3.625 -3.697 681 1HG LYS 93 1HG LYS 93 -2.823 3.680 -2.237 682 2HG LYS 93 2HG LYS 93 -3.669 3.041 -3.646 683 1HD LYS 93 1HD LYS 93 -1.907 5.464 -3.932 684 2HD LYS 93 2HD LYS 93 -3.540 5.640 -3.290 685 1HE LYS 93 1HE LYS 93 -4.213 4.192 -5.380 686 2HE LYS 93 2HE LYS 93 -2.663 4.736 -6.020 687 1HZ LYS 93 1HZ LYS 93 -3.340 7.019 -5.653 688 2HZ LYS 93 2HZ LYS 93 -4.828 6.505 -5.012 689 3HZ LYS 93 3HZ LYS 93 -4.461 6.226 -6.648 690 H SER 94 H SER 94 -2.727 2.108 -0.878 691 HA SER 94 HA SER 94 -0.860 3.573 0.762 692 1HB SER 94 1HB SER 94 -2.589 3.057 2.590 693 2HB SER 94 2HB SER 94 -3.509 2.235 1.334 694 HG SER 94 HG SER 94 -4.120 4.084 0.601 695 H GLU 95 H GLU 95 -1.935 0.165 0.752 696 HA GLU 95 HA GLU 95 -0.360 -0.591 3.067 697 1HB GLU 95 1HB GLU 95 -0.878 -2.913 2.344 698 2HB GLU 95 2HB GLU 95 -1.575 -2.274 0.855 699 1HG GLU 95 1HG GLU 95 -3.433 -2.572 2.304 700 2HG GLU 95 2HG GLU 95 -3.080 -0.847 2.393 701 H GLU 96 H GLU 96 1.590 0.642 2.054 702 HA GLU 96 HA GLU 96 3.100 -0.688 -0.034 703 1HB GLU 96 1HB GLU 96 4.986 0.789 0.873 704 2HB GLU 96 2HB GLU 96 3.806 1.415 2.026 705 1HG GLU 96 1HG GLU 96 2.463 1.538 -0.408 706 2HG GLU 96 2HG GLU 96 4.115 2.000 -0.827 707 H GLU 97 H GLU 97 2.921 -0.928 3.476 708 HA GLU 97 HA GLU 97 5.350 -2.318 3.969 709 1HB GLU 97 1HB GLU 97 2.870 -2.982 5.525 710 2HB GLU 97 2HB GLU 97 3.520 -1.345 5.609 711 1HG GLU 97 1HG GLU 97 5.671 -2.181 6.369 712 2HG GLU 97 2HG GLU 97 5.155 -3.849 6.120 713 H LEU 98 H LEU 98 2.052 -3.676 3.331 714 HA LEU 98 HA LEU 98 3.095 -6.385 3.319 715 1HB LEU 98 1HB LEU 98 0.545 -5.275 3.388 716 2HB LEU 98 2HB LEU 98 0.926 -6.985 3.296 717 HG LEU 98 HG LEU 98 1.045 -6.542 0.701 718 1HD1 LEU 98 1HD1 LEU 98 -1.502 -6.647 2.333 719 2HD1 LEU 98 2HD1 LEU 98 -0.602 -8.012 1.667 720 3HD1 LEU 98 3HD1 LEU 98 -1.449 -6.902 0.588 721 1HD2 LEU 98 1HD2 LEU 98 0.328 -3.988 1.685 722 2HD2 LEU 98 2HD2 LEU 98 -1.114 -4.642 0.907 723 3HD2 LEU 98 3HD2 LEU 98 0.393 -4.503 0.001 724 H ALA 99 H ALA 99 2.619 -3.934 0.803 725 HA ALA 99 HA ALA 99 2.982 -5.654 -1.462 726 1HB ALA 99 1HB ALA 99 3.595 -2.712 -1.044 727 2HB ALA 99 2HB ALA 99 2.177 -3.409 -1.824 728 3HB ALA 99 3HB ALA 99 3.754 -3.518 -2.606 729 H ASN 100 H ASN 100 5.284 -3.946 0.629 730 HA ASN 100 HA ASN 100 7.647 -4.665 -0.869 731 1HB ASN 100 1HB ASN 100 7.800 -4.226 2.085 732 2HB ASN 100 2HB ASN 100 7.218 -2.885 1.100 733 1HD2 ASN 100 1HD2 ASN 100 8.948 -1.503 0.700 734 2HD2 ASN 100 2HD2 ASN 100 10.518 -2.001 0.284 735 H CYS 101 H CYS 101 6.045 -6.010 2.035 736 HA CYS 101 HA CYS 101 7.853 -8.170 2.489 737 1HB CYS 101 1HB CYS 101 5.738 -9.268 3.513 738 2HB CYS 101 2HB CYS 101 4.925 -7.758 3.105 739 HG CYS 101 HG CYS 101 7.164 -8.070 5.230 740 H PHE 102 H PHE 102 4.949 -7.913 0.452 741 HA PHE 102 HA PHE 102 4.776 -10.603 -0.424 742 1HB PHE 102 1HB PHE 102 4.157 -8.058 -1.965 743 2HB PHE 102 2HB PHE 102 3.040 -8.914 -0.904 744 HD1 PHE 102 HD1 PHE 102 4.438 -8.710 -4.223 745 HD2 PHE 102 HD2 PHE 102 2.418 -11.333 -1.485 746 HE1 PHE 102 HE1 PHE 102 3.777 -10.171 -6.111 747 HE2 PHE 102 HE2 PHE 102 1.759 -12.796 -3.378 748 HZ PHE 102 HZ PHE 102 2.432 -12.220 -5.688 749 NH1 ARG 103 NH1 ARG 103 8.920 -8.739 -9.053 750 NH2 ARG 103 NH2 ARG 103 10.613 -7.304 -8.582 751 H ARG 103 H ARG 103 6.622 -7.861 -1.813 752 HA ARG 103 HA ARG 103 7.796 -9.434 -3.941 753 1HB ARG 103 1HB ARG 103 8.937 -6.912 -2.699 754 2HB ARG 103 2HB ARG 103 7.615 -6.895 -3.865 755 1HG ARG 103 1HG ARG 103 10.196 -8.334 -4.481 756 2HG ARG 103 2HG ARG 103 10.043 -6.598 -4.753 757 1HD ARG 103 1HD ARG 103 8.470 -6.865 -6.442 758 2HD ARG 103 2HD ARG 103 7.891 -8.403 -5.801 759 HE ARG 103 HE ARG 103 10.223 -9.275 -6.594 760 1HH1 ARG 103 1HH1 ARG 103 10.662 -7.041 -9.546 761 2HH1 ARG 103 2HH1 ARG 103 11.237 -6.889 -7.919 762 1HH2 ARG 103 1HH2 ARG 103 8.253 -9.422 -8.751 763 2HH2 ARG 103 2HH2 ARG 103 8.966 -8.480 -10.018 764 H ILE 104 H ILE 104 8.792 -8.687 -0.618 765 HA ILE 104 HA ILE 104 11.469 -9.705 -0.809 766 HB ILE 104 HB ILE 104 9.582 -9.492 1.561 767 1HG1 ILE 104 1HG1 ILE 104 10.519 -7.431 0.215 768 2HG1 ILE 104 2HG1 ILE 104 12.023 -7.807 1.054 769 1HG2 ILE 104 1HG2 ILE 104 11.855 -9.574 2.824 770 2HG2 ILE 104 2HG2 ILE 104 12.471 -10.333 1.357 771 3HG2 ILE 104 3HG2 ILE 104 11.164 -11.097 2.262 772 1HD1 ILE 104 1HD1 ILE 104 11.247 -6.869 2.952 773 2HD1 ILE 104 2HD1 ILE 104 9.808 -7.887 2.915 774 3HD1 ILE 104 3HD1 ILE 104 9.820 -6.346 2.058 775 H PHE 105 H PHE 105 8.364 -11.303 -0.617 776 HA PHE 105 HA PHE 105 9.430 -13.841 0.343 777 1HB PHE 105 1HB PHE 105 7.174 -14.720 -0.310 778 2HB PHE 105 2HB PHE 105 6.783 -13.126 -0.952 779 HD1 PHE 105 HD1 PHE 105 8.718 -13.995 2.137 780 HD2 PHE 105 HD2 PHE 105 5.115 -12.318 0.502 781 HE1 PHE 105 HE1 PHE 105 8.040 -13.245 4.399 782 HE2 PHE 105 HE2 PHE 105 4.440 -11.566 2.764 783 HZ PHE 105 HZ PHE 105 5.900 -12.029 4.714 784 H ASP 106 H ASP 106 8.632 -12.450 -2.861 785 HA ASP 106 HA ASP 106 9.403 -15.002 -4.146 786 1HB ASP 106 1HB ASP 106 7.679 -14.084 -5.400 787 2HB ASP 106 2HB ASP 106 9.083 -13.529 -6.299 788 H LYS 107 H LYS 107 11.565 -15.319 -3.877 789 HA LYS 107 HA LYS 107 13.563 -13.231 -4.123 790 1HB LYS 107 1HB LYS 107 15.196 -15.046 -4.004 791 2HB LYS 107 2HB LYS 107 13.931 -16.236 -4.307 792 1HG LYS 107 1HG LYS 107 12.844 -15.704 -2.213 793 2HG LYS 107 2HG LYS 107 13.928 -14.337 -1.944 794 1HD LYS 107 1HD LYS 107 15.821 -15.802 -1.667 795 2HD LYS 107 2HD LYS 107 14.887 -17.201 -2.200 796 1HE LYS 107 1HE LYS 107 14.686 -17.500 0.075 797 2HE LYS 107 2HE LYS 107 13.319 -16.414 -0.166 798 1HZ LYS 107 1HZ LYS 107 14.833 -14.545 0.328 799 2HZ LYS 107 2HZ LYS 107 16.057 -15.662 0.702 800 3HZ LYS 107 3HZ LYS 107 14.638 -15.609 1.635 801 H ASN 108 H ASN 108 11.782 -14.974 -6.463 802 HA ASN 108 HA ASN 108 13.878 -14.903 -8.525 803 1HB ASN 108 1HB ASN 108 12.077 -15.790 -10.001 804 2HB ASN 108 2HB ASN 108 10.933 -15.628 -8.668 805 1HD2 ASN 108 1HD2 ASN 108 11.156 -17.128 -6.844 806 2HD2 ASN 108 2HD2 ASN 108 12.133 -18.512 -6.955 807 H ALA 109 H ALA 109 11.461 -12.779 -7.289 808 HA ALA 109 HA ALA 109 10.707 -10.687 -7.976 809 1HB ALA 109 1HB ALA 109 12.928 -9.927 -8.037 810 2HB ALA 109 2HB ALA 109 12.324 -9.520 -9.644 811 3HB ALA 109 3HB ALA 109 13.339 -10.945 -9.418 812 H ASP 110 H ASP 110 9.361 -12.746 -9.197 813 HA ASP 110 HA ASP 110 9.179 -11.981 -12.078 814 1HB ASP 110 1HB ASP 110 7.653 -14.281 -10.911 815 2HB ASP 110 2HB ASP 110 9.394 -14.457 -11.137 816 H GLY 111 H GLY 111 7.315 -12.207 -9.070 817 1HA GLY 111 1HA GLY 111 4.914 -11.106 -10.439 818 2HA GLY 111 2HA GLY 111 5.621 -10.181 -9.119 819 H PHE 112 H PHE 112 5.632 -13.701 -9.070 820 HA PHE 112 HA PHE 112 3.677 -13.576 -6.811 821 1HB PHE 112 1HB PHE 112 2.568 -15.548 -7.547 822 2HB PHE 112 2HB PHE 112 3.823 -15.909 -8.728 823 HD1 PHE 112 HD1 PHE 112 3.335 -15.435 -10.960 824 HD2 PHE 112 HD2 PHE 112 1.487 -13.084 -7.874 825 HE1 PHE 112 HE1 PHE 112 2.077 -14.165 -12.677 826 HE2 PHE 112 HE2 PHE 112 0.230 -11.816 -9.593 827 HZ PHE 112 HZ PHE 112 0.526 -12.356 -11.995 828 H ILE 113 H ILE 113 3.962 -15.293 -5.241 829 HA ILE 113 HA ILE 113 6.803 -16.062 -4.935 830 HB ILE 113 HB ILE 113 4.402 -16.271 -3.091 831 1HG1 ILE 113 1HG1 ILE 113 6.711 -14.388 -3.421 832 2HG1 ILE 113 2HG1 ILE 113 6.121 -14.710 -1.793 833 1HG2 ILE 113 1HG2 ILE 113 5.718 -18.090 -2.402 834 2HG2 ILE 113 2HG2 ILE 113 6.321 -16.777 -1.390 835 3HG2 ILE 113 3HG2 ILE 113 7.228 -17.278 -2.818 836 1HD1 ILE 113 1HD1 ILE 113 4.761 -12.926 -2.389 837 2HD1 ILE 113 2HD1 ILE 113 3.759 -14.281 -2.909 838 3HD1 ILE 113 3HD1 ILE 113 4.722 -13.393 -4.090 839 H ASP 114 H ASP 114 7.530 -18.157 -5.164 840 HA ASP 114 HA ASP 114 5.633 -20.149 -6.232 841 1HB ASP 114 1HB ASP 114 7.593 -21.473 -6.753 842 2HB ASP 114 2HB ASP 114 8.605 -20.445 -5.744 843 H ILE 115 H ILE 115 5.572 -22.348 -5.332 844 HA ILE 115 HA ILE 115 5.114 -22.397 -2.510 845 HB ILE 115 HB ILE 115 4.029 -23.998 -4.009 846 1HG1 ILE 115 1HG1 ILE 115 5.936 -25.547 -2.248 847 2HG1 ILE 115 2HG1 ILE 115 4.294 -25.997 -2.701 848 1HG2 ILE 115 1HG2 ILE 115 6.743 -25.271 -4.409 849 2HG2 ILE 115 2HG2 ILE 115 5.993 -24.195 -5.586 850 3HG2 ILE 115 3HG2 ILE 115 5.227 -25.730 -5.181 851 1HD1 ILE 115 1HD1 ILE 115 3.853 -25.116 -0.620 852 2HD1 ILE 115 2HD1 ILE 115 3.764 -23.627 -1.559 853 3HD1 ILE 115 3HD1 ILE 115 5.236 -24.024 -0.674 854 H GLU 116 H GLU 116 7.844 -23.370 -4.503 855 HA GLU 116 HA GLU 116 9.448 -24.564 -2.464 856 1HB GLU 116 1HB GLU 116 9.949 -24.806 -4.870 857 2HB GLU 116 2HB GLU 116 11.347 -24.183 -3.993 858 1HG GLU 116 1HG GLU 116 11.225 -22.123 -4.999 859 2HG GLU 116 2HG GLU 116 9.466 -22.160 -5.106 860 H GLU 117 H GLU 117 9.156 -21.167 -3.526 861 HA GLU 117 HA GLU 117 11.279 -20.146 -1.877 862 1HB GLU 117 1HB GLU 117 10.166 -17.943 -2.205 863 2HB GLU 117 2HB GLU 117 8.785 -18.769 -2.924 864 1HG GLU 117 1HG GLU 117 10.448 -17.839 -4.599 865 2HG GLU 117 2HG GLU 117 10.123 -19.565 -4.767 866 H LEU 118 H LEU 118 7.843 -20.779 -1.272 867 HA LEU 118 HA LEU 118 7.646 -19.409 1.233 868 1HB LEU 118 1HB LEU 118 6.122 -21.918 0.514 869 2HB LEU 118 2HB LEU 118 5.740 -20.350 -0.199 870 HG LEU 118 HG LEU 118 6.012 -20.511 2.777 871 1HD1 LEU 118 1HD1 LEU 118 4.327 -18.967 0.790 872 2HD1 LEU 118 2HD1 LEU 118 5.598 -18.343 1.843 873 3HD1 LEU 118 3HD1 LEU 118 4.066 -18.881 2.533 874 1HD2 LEU 118 1HD2 LEU 118 3.447 -21.276 1.358 875 2HD2 LEU 118 2HD2 LEU 118 3.793 -21.358 3.086 876 3HD2 LEU 118 3HD2 LEU 118 4.581 -22.478 1.974 877 H GLY 119 H GLY 119 8.745 -22.685 0.396 878 1HA GLY 119 1HA GLY 119 9.918 -24.261 1.677 879 2HA GLY 119 2HA GLY 119 8.818 -23.830 2.982 880 H GLU 120 H GLU 120 11.273 -21.810 1.336 881 HA GLU 120 HA GLU 120 13.185 -21.927 3.501 882 1HB GLU 120 1HB GLU 120 14.095 -19.811 2.409 883 2HB GLU 120 2HB GLU 120 12.804 -19.978 1.217 884 1HG GLU 120 1HG GLU 120 14.491 -22.383 1.772 885 2HG GLU 120 2HG GLU 120 15.221 -21.074 0.844 886 H ILE 121 H ILE 121 10.500 -19.740 2.705 887 HA ILE 121 HA ILE 121 11.070 -17.728 4.660 888 HB ILE 121 HB ILE 121 8.427 -18.624 3.462 889 1HG1 ILE 121 1HG1 ILE 121 10.453 -17.575 2.094 890 2HG1 ILE 121 2HG1 ILE 121 9.863 -16.073 2.803 891 1HG2 ILE 121 1HG2 ILE 121 7.898 -17.442 5.479 892 2HG2 ILE 121 2HG2 ILE 121 7.713 -16.278 4.167 893 3HG2 ILE 121 3HG2 ILE 121 9.155 -16.241 5.182 894 1HD1 ILE 121 1HD1 ILE 121 8.319 -16.010 1.159 895 2HD1 ILE 121 2HD1 ILE 121 7.557 -17.412 1.909 896 3HD1 ILE 121 3HD1 ILE 121 8.745 -17.636 0.625 897 H LEU 122 H LEU 122 9.131 -20.731 4.838 898 HA LEU 122 HA LEU 122 8.274 -20.311 7.565 899 1HB LEU 122 1HB LEU 122 7.997 -22.915 7.401 900 2HB LEU 122 2HB LEU 122 8.368 -22.664 5.696 901 HG LEU 122 HG LEU 122 6.488 -20.662 6.460 902 1HD1 LEU 122 1HD1 LEU 122 6.477 -21.404 4.234 903 2HD1 LEU 122 2HD1 LEU 122 5.024 -22.155 4.894 904 3HD1 LEU 122 3HD1 LEU 122 6.498 -23.104 4.699 905 1HD2 LEU 122 1HD2 LEU 122 5.901 -23.434 7.495 906 2HD2 LEU 122 2HD2 LEU 122 4.598 -22.341 7.026 907 3HD2 LEU 122 3HD2 LEU 122 5.707 -21.889 8.322 908 NH1 ARG 123 NH1 ARG 123 10.980 -27.623 5.664 909 NH2 ARG 123 NH2 ARG 123 12.540 -28.366 4.196 910 H ARG 123 H ARG 123 10.999 -22.103 6.114 911 HA ARG 123 HA ARG 123 11.982 -23.133 8.633 912 1HB ARG 123 1HB ARG 123 14.148 -23.387 7.207 913 2HB ARG 123 2HB ARG 123 13.132 -22.864 5.864 914 1HG ARG 123 1HG ARG 123 11.512 -24.687 6.469 915 2HG ARG 123 2HG ARG 123 12.669 -25.254 7.673 916 1HD ARG 123 1HD ARG 123 14.354 -25.266 5.667 917 2HD ARG 123 2HD ARG 123 12.898 -25.271 4.671 918 HE ARG 123 HE ARG 123 13.732 -27.444 6.520 919 1HH1 ARG 123 1HH1 ARG 123 11.837 -28.882 3.707 920 2HH1 ARG 123 2HH1 ARG 123 13.490 -28.393 3.880 921 1HH2 ARG 123 1HH2 ARG 123 10.738 -27.082 6.471 922 2HH2 ARG 123 2HH2 ARG 123 10.273 -28.138 5.178 923 H ALA 124 H ALA 124 12.651 -20.192 6.757 924 HA ALA 124 HA ALA 124 14.979 -19.301 8.101 925 1HB ALA 124 1HB ALA 124 14.237 -18.172 6.106 926 2HB ALA 124 2HB ALA 124 14.205 -16.997 7.421 927 3HB ALA 124 3HB ALA 124 12.703 -17.733 6.858 928 H THR 125 H THR 125 11.636 -19.300 9.213 929 HA THR 125 HA THR 125 11.862 -17.280 11.231 930 HB THR 125 HB THR 125 9.890 -18.307 12.248 931 HG1 THR 125 HG1 THR 125 9.272 -20.328 11.761 932 1HG2 THR 125 1HG2 THR 125 10.112 -17.672 9.432 933 2HG2 THR 125 2HG2 THR 125 8.793 -17.324 10.550 934 3HG2 THR 125 3HG2 THR 125 8.843 -18.867 9.698 935 H GLY 126 H GLY 126 12.921 -20.630 11.148 936 1HA GLY 126 1HA GLY 126 13.993 -20.293 13.918 937 2HA GLY 126 2HA GLY 126 14.760 -21.280 12.672 938 H GLU 127 H GLU 127 11.291 -21.339 12.913 939 HA GLU 127 HA GLU 127 11.074 -23.548 14.774 940 1HB GLU 127 1HB GLU 127 8.724 -23.692 13.720 941 2HB GLU 127 2HB GLU 127 9.189 -22.277 12.780 942 1HG GLU 127 1HG GLU 127 9.668 -22.181 15.726 943 2HG GLU 127 2HG GLU 127 7.998 -22.059 15.174 944 H HIS 128 H HIS 128 11.007 -25.746 14.323 945 HA HIS 128 HA HIS 128 12.002 -26.586 11.691 946 1HB HIS 128 1HB HIS 128 11.159 -28.586 13.745 947 2HB HIS 128 2HB HIS 128 12.513 -27.533 14.149 948 HD1 HIS 128 HD1 HIS 128 12.183 -30.744 13.008 949 HD2 HIS 128 HD2 HIS 128 14.161 -27.464 11.360 950 HE1 HIS 128 HE1 HIS 128 13.910 -31.677 11.407 951 H VAL 129 H VAL 129 10.067 -25.903 10.482 952 HA VAL 129 HA VAL 129 7.575 -27.412 10.967 953 HB VAL 129 HB VAL 129 7.480 -25.027 10.327 954 1HG1 VAL 129 1HG1 VAL 129 8.997 -26.052 7.955 955 2HG1 VAL 129 2HG1 VAL 129 9.243 -24.572 8.881 956 3HG1 VAL 129 3HG1 VAL 129 7.901 -24.687 7.744 957 1HG2 VAL 129 1HG2 VAL 129 6.363 -26.721 8.090 958 2HG2 VAL 129 2HG2 VAL 129 5.696 -25.231 8.755 959 3HG2 VAL 129 3HG2 VAL 129 5.673 -26.712 9.712 960 H ILE 130 H ILE 130 6.569 -28.634 9.204 961 HA ILE 130 HA ILE 130 8.616 -30.104 7.600 962 HB ILE 130 HB ILE 130 6.447 -31.689 7.381 963 1HG1 ILE 130 1HG1 ILE 130 5.200 -30.006 8.900 964 2HG1 ILE 130 2HG1 ILE 130 6.176 -30.671 10.210 965 1HG2 ILE 130 1HG2 ILE 130 7.408 -33.022 9.217 966 2HG2 ILE 130 2HG2 ILE 130 8.314 -31.615 9.773 967 3HG2 ILE 130 3HG2 ILE 130 8.683 -32.339 8.208 968 1HD1 ILE 130 1HD1 ILE 130 4.414 -32.306 8.355 969 2HD1 ILE 130 2HD1 ILE 130 3.972 -31.818 9.991 970 3HD1 ILE 130 3HD1 ILE 130 5.324 -32.919 9.736 971 H GLU 131 H GLU 131 8.215 -30.518 5.375 972 HA GLU 131 HA GLU 131 6.743 -28.463 3.974 973 1HB GLU 131 1HB GLU 131 8.362 -30.859 3.224 974 2HB GLU 131 2HB GLU 131 8.461 -29.205 2.623 975 1HG GLU 131 1HG GLU 131 6.288 -29.608 1.397 976 2HG GLU 131 2HG GLU 131 6.399 -31.300 1.882 977 H GLU 132 H GLU 132 6.035 -31.791 4.954 978 HA GLU 132 HA GLU 132 3.695 -32.197 3.369 979 1HB GLU 132 1HB GLU 132 3.041 -33.653 5.477 980 2HB GLU 132 2HB GLU 132 4.700 -33.316 5.969 981 1HG GLU 132 1HG GLU 132 5.536 -34.235 3.853 982 2HG GLU 132 2HG GLU 132 3.884 -34.500 3.295 983 H ASP 133 H ASP 133 4.238 -30.466 6.419 984 HA ASP 133 HA ASP 133 1.367 -29.992 6.836 985 1HB ASP 133 1HB ASP 133 3.668 -28.550 8.173 986 2HB ASP 133 2HB ASP 133 3.126 -30.148 8.686 987 H ILE 134 H ILE 134 4.192 -28.109 5.737 988 HA ILE 134 HA ILE 134 2.866 -25.607 5.370 989 HB ILE 134 HB ILE 134 5.244 -26.819 3.919 990 1HG1 ILE 134 1HG1 ILE 134 5.194 -26.255 6.497 991 2HG1 ILE 134 2HG1 ILE 134 5.328 -24.590 5.935 992 1HG2 ILE 134 1HG2 ILE 134 5.752 -24.435 3.311 993 2HG2 ILE 134 2HG2 ILE 134 4.155 -23.988 3.909 994 3HG2 ILE 134 3HG2 ILE 134 4.306 -25.066 2.520 995 1HD1 ILE 134 1HD1 ILE 134 7.548 -24.907 5.720 996 2HD1 ILE 134 2HD1 ILE 134 7.213 -26.065 4.432 997 3HD1 ILE 134 3HD1 ILE 134 7.380 -26.622 6.097 998 H GLU 135 H GLU 135 3.415 -28.302 3.083 999 HA GLU 135 HA GLU 135 2.174 -27.125 0.812 1000 1HB GLU 135 1HB GLU 135 1.888 -30.067 1.315 1001 2HB GLU 135 2HB GLU 135 3.510 -29.397 1.137 1002 1HG GLU 135 1HG GLU 135 3.028 -28.571 -1.054 1003 2HG GLU 135 2HG GLU 135 1.296 -28.844 -0.852 1004 H ASP 136 H ASP 136 0.756 -29.097 3.439 1005 HA ASP 136 HA ASP 136 -1.880 -29.252 2.350 1006 1HB ASP 136 1HB ASP 136 -1.257 -29.150 5.307 1007 2HB ASP 136 2HB ASP 136 -0.925 -30.576 4.322 1008 H LEU 137 H LEU 137 -0.330 -26.771 4.385 1009 HA LEU 137 HA LEU 137 -2.667 -25.262 4.987 1010 1HB LEU 137 1HB LEU 137 -1.039 -23.436 5.377 1011 2HB LEU 137 2HB LEU 137 0.218 -24.399 4.630 1012 HG LEU 137 HG LEU 137 -0.349 -26.194 6.351 1013 1HD1 LEU 137 1HD1 LEU 137 0.802 -24.760 8.236 1014 2HD1 LEU 137 2HD1 LEU 137 0.928 -23.545 6.963 1015 3HD1 LEU 137 3HD1 LEU 137 1.685 -25.124 6.753 1016 1HD2 LEU 137 1HD2 LEU 137 -1.913 -23.845 7.436 1017 2HD2 LEU 137 2HD2 LEU 137 -1.343 -25.142 8.486 1018 3HD2 LEU 137 3HD2 LEU 137 -2.468 -25.499 7.177 1019 H MET 138 H MET 138 -0.245 -24.893 2.398 1020 HA MET 138 HA MET 138 -1.493 -22.675 1.102 1021 1HB MET 138 1HB MET 138 0.128 -24.777 -0.340 1022 2HB MET 138 2HB MET 138 0.874 -23.597 0.737 1023 1HG MET 138 1HG MET 138 -0.623 -21.916 -0.730 1024 2HG MET 138 2HG MET 138 -0.414 -23.196 -1.924 1025 1HE MET 138 1HE MET 138 2.290 -21.255 -3.497 1026 2HE MET 138 2HE MET 138 0.544 -21.230 -3.263 1027 3HE MET 138 3HE MET 138 1.349 -22.744 -3.667 1028 H LYS 139 H LYS 139 -1.747 -26.191 0.362 1029 HA LYS 139 HA LYS 139 -3.567 -25.841 -1.829 1030 1HB LYS 139 1HB LYS 139 -2.291 -27.936 -1.441 1031 2HB LYS 139 2HB LYS 139 -4.016 -28.235 -1.631 1032 1HG LYS 139 1HG LYS 139 -4.180 -28.183 0.913 1033 2HG LYS 139 2HG LYS 139 -2.417 -28.203 0.942 1034 1HD LYS 139 1HD LYS 139 -3.884 -30.253 -0.693 1035 2HD LYS 139 2HD LYS 139 -3.765 -30.469 1.053 1036 1HE LYS 139 1HE LYS 139 -1.308 -30.293 0.913 1037 2HE LYS 139 2HE LYS 139 -1.420 -30.050 -0.830 1038 1HZ LYS 139 1HZ LYS 139 -2.184 -32.472 0.702 1039 2HZ LYS 139 2HZ LYS 139 -0.950 -32.325 -0.457 1040 3HZ LYS 139 3HZ LYS 139 -2.578 -32.240 -0.932 1041 H ASP 140 H ASP 140 -4.101 -26.014 1.655 1042 HA ASP 140 HA ASP 140 -6.989 -26.379 1.416 1043 1HB ASP 140 1HB ASP 140 -6.720 -25.505 3.937 1044 2HB ASP 140 2HB ASP 140 -5.040 -25.949 3.636 1045 H SER 141 H SER 141 -4.787 -23.623 1.853 1046 HA SER 141 HA SER 141 -7.010 -21.729 2.184 1047 1HB SER 141 1HB SER 141 -4.118 -21.036 1.649 1048 2HB SER 141 2HB SER 141 -4.685 -21.520 3.243 1049 HG SER 141 HG SER 141 -5.046 -19.432 3.356 1050 H ASP 142 H ASP 142 -5.393 -23.156 -0.502 1051 HA ASP 142 HA ASP 142 -5.737 -20.889 -2.312 1052 1HB ASP 142 1HB ASP 142 -5.480 -23.287 -3.789 1053 2HB ASP 142 2HB ASP 142 -4.454 -23.477 -2.372 1054 H LYS 143 H LYS 143 -7.770 -20.302 -2.899 1055 HA LYS 143 HA LYS 143 -10.043 -22.089 -2.754 1056 1HB LYS 143 1HB LYS 143 -11.343 -20.241 -3.427 1057 2HB LYS 143 2HB LYS 143 -10.019 -19.524 -4.342 1058 1HG LYS 143 1HG LYS 143 -10.260 -18.234 -2.330 1059 2HG LYS 143 2HG LYS 143 -8.811 -19.194 -2.133 1060 1HD LYS 143 1HD LYS 143 -9.845 -20.682 -0.640 1061 2HD LYS 143 2HD LYS 143 -11.469 -20.221 -1.158 1062 1HE LYS 143 1HE LYS 143 -10.983 -17.909 -0.214 1063 2HE LYS 143 2HE LYS 143 -9.523 -18.593 0.500 1064 1HZ LYS 143 1HZ LYS 143 -12.313 -19.479 1.001 1065 2HZ LYS 143 2HZ LYS 143 -11.305 -18.650 2.089 1066 3HZ LYS 143 3HZ LYS 143 -10.932 -20.241 1.625 1067 H ASN 144 H ASN 144 -8.221 -20.675 -5.497 1068 HA ASN 144 HA ASN 144 -9.616 -22.555 -7.332 1069 1HB ASN 144 1HB ASN 144 -9.582 -20.296 -8.153 1070 2HB ASN 144 2HB ASN 144 -8.448 -21.221 -9.133 1071 1HD2 ASN 144 1HD2 ASN 144 -8.727 -18.270 -7.696 1072 2HD2 ASN 144 2HD2 ASN 144 -7.096 -17.953 -7.347 1073 H ASN 145 H ASN 145 -6.641 -22.243 -5.636 1074 HA ASN 145 HA ASN 145 -4.709 -23.539 -5.626 1075 1HB ASN 145 1HB ASN 145 -5.089 -25.725 -7.222 1076 2HB ASN 145 2HB ASN 145 -6.756 -25.284 -6.858 1077 1HD2 ASN 145 1HD2 ASN 145 -3.789 -26.574 -5.505 1078 2HD2 ASN 145 2HD2 ASN 145 -4.395 -26.857 -3.945 1079 H ASP 146 H ASP 146 -3.511 -21.949 -6.774 1080 HA ASP 146 HA ASP 146 -3.308 -22.297 -9.726 1081 1HB ASP 146 1HB ASP 146 -1.872 -20.138 -8.218 1082 2HB ASP 146 2HB ASP 146 -3.619 -20.006 -8.419 1083 H GLY 147 H GLY 147 -1.463 -22.565 -6.729 1084 1HA GLY 147 1HA GLY 147 0.832 -23.646 -8.317 1085 2HA GLY 147 2HA GLY 147 0.381 -24.241 -6.718 1086 NH1 ARG 148 NH1 ARG 148 5.088 -23.072 -10.702 1087 NH2 ARG 148 NH2 ARG 148 5.835 -22.551 -8.626 1088 H ARG 148 H ARG 148 0.490 -20.845 -7.745 1089 HA ARG 148 HA ARG 148 2.807 -20.410 -5.912 1090 1HB ARG 148 1HB ARG 148 2.997 -18.237 -7.265 1091 2HB ARG 148 2HB ARG 148 1.850 -18.963 -8.387 1092 1HG ARG 148 1HG ARG 148 4.253 -20.544 -7.556 1093 2HG ARG 148 2HG ARG 148 4.446 -19.261 -8.746 1094 1HD ARG 148 1HD ARG 148 3.539 -20.541 -10.359 1095 2HD ARG 148 2HD ARG 148 2.109 -20.840 -9.372 1096 HE ARG 148 HE ARG 148 3.043 -22.918 -8.736 1097 1HH1 ARG 148 1HH1 ARG 148 6.013 -23.348 -10.966 1098 2HH1 ARG 148 2HH1 ARG 148 4.340 -23.133 -11.363 1099 1HH2 ARG 148 1HH2 ARG 148 5.658 -22.213 -7.701 1100 2HH2 ARG 148 2HH2 ARG 148 6.760 -22.825 -8.889 1101 H ILE 149 H ILE 149 2.760 -18.121 -4.965 1102 HA ILE 149 HA ILE 149 0.000 -17.527 -3.985 1103 HB ILE 149 HB ILE 149 2.710 -16.887 -2.768 1104 1HG1 ILE 149 1HG1 ILE 149 1.936 -18.436 -0.975 1105 2HG1 ILE 149 2HG1 ILE 149 2.091 -19.248 -2.533 1106 1HG2 ILE 149 1HG2 ILE 149 1.286 -15.092 -2.149 1107 2HG2 ILE 149 2HG2 ILE 149 1.196 -16.213 -0.791 1108 3HG2 ILE 149 3HG2 ILE 149 -0.111 -16.155 -1.974 1109 1HD1 ILE 149 1HD1 ILE 149 -0.279 -19.222 -2.882 1110 2HD1 ILE 149 2HD1 ILE 149 -0.534 -18.095 -1.549 1111 3HD1 ILE 149 3HD1 ILE 149 -0.044 -19.756 -1.218 1112 H ASP 150 H ASP 150 -0.876 -15.824 -5.038 1113 HA ASP 150 HA ASP 150 0.935 -13.749 -6.170 1114 1HB ASP 150 1HB ASP 150 -0.513 -14.371 -7.884 1115 2HB ASP 150 2HB ASP 150 -1.352 -12.975 -7.213 1116 H PHE 151 H PHE 151 -0.138 -11.469 -6.148 1117 HA PHE 151 HA PHE 151 -0.251 -10.569 -3.445 1118 1HB PHE 151 1HB PHE 151 -1.450 -9.048 -5.762 1119 2HB PHE 151 2HB PHE 151 0.296 -9.222 -5.579 1120 HD1 PHE 151 HD1 PHE 151 1.372 -8.471 -3.392 1121 HD2 PHE 151 HD2 PHE 151 -2.668 -7.478 -4.463 1122 HE1 PHE 151 HE1 PHE 151 1.371 -6.655 -1.707 1123 HE2 PHE 151 HE2 PHE 151 -2.666 -5.659 -2.777 1124 HZ PHE 151 HZ PHE 151 -0.646 -5.247 -1.400 1125 H ASP 152 H ASP 152 -2.787 -11.633 -5.652 1126 HA ASP 152 HA ASP 152 -5.047 -10.498 -4.327 1127 1HB ASP 152 1HB ASP 152 -6.377 -12.172 -5.456 1128 2HB ASP 152 2HB ASP 152 -4.974 -13.206 -5.694 1129 H GLU 153 H GLU 153 -3.861 -13.871 -4.061 1130 HA GLU 153 HA GLU 153 -5.405 -14.452 -1.701 1131 1HB GLU 153 1HB GLU 153 -2.869 -15.938 -2.242 1132 2HB GLU 153 2HB GLU 153 -4.136 -16.015 -3.465 1133 1HG GLU 153 1HG GLU 153 -5.573 -17.184 -2.095 1134 2HG GLU 153 2HG GLU 153 -4.958 -16.424 -0.626 1135 H PHE 154 H PHE 154 -2.228 -13.024 -2.204 1136 HA PHE 154 HA PHE 154 -1.069 -13.428 0.352 1137 1HB PHE 154 1HB PHE 154 -0.830 -11.066 -1.541 1138 2HB PHE 154 2HB PHE 154 0.212 -12.486 -1.502 1139 HD1 PHE 154 HD1 PHE 154 0.827 -12.947 1.264 1140 HD2 PHE 154 HD2 PHE 154 0.333 -9.200 -0.778 1141 HE1 PHE 154 HE1 PHE 154 2.250 -11.832 2.961 1142 HE2 PHE 154 HE2 PHE 154 1.754 -8.094 0.919 1143 HZ PHE 154 HZ PHE 154 2.714 -9.406 2.787 1144 H LEU 155 H LEU 155 -3.479 -11.070 -0.742 1145 HA LEU 155 HA LEU 155 -3.477 -9.277 1.442 1146 1HB LEU 155 1HB LEU 155 -5.880 -8.892 0.883 1147 2HB LEU 155 2HB LEU 155 -5.833 -10.296 -0.179 1148 HG LEU 155 HG LEU 155 -3.893 -9.153 -1.378 1149 1HD1 LEU 155 1HD1 LEU 155 -6.267 -9.233 -2.202 1150 2HD1 LEU 155 2HD1 LEU 155 -5.373 -7.815 -2.750 1151 3HD1 LEU 155 3HD1 LEU 155 -6.535 -7.669 -1.430 1152 1HD2 LEU 155 1HD2 LEU 155 -4.196 -6.534 -1.048 1153 2HD2 LEU 155 2HD2 LEU 155 -3.118 -7.451 0.003 1154 3HD2 LEU 155 3HD2 LEU 155 -4.736 -7.024 0.559 1155 H LYS 156 H LYS 156 -5.624 -12.124 1.043 1156 HA LYS 156 HA LYS 156 -6.500 -12.067 3.804 1157 1HB LYS 156 1HB LYS 156 -6.595 -14.539 2.090 1158 2HB LYS 156 2HB LYS 156 -7.629 -13.161 1.709 1159 1HG LYS 156 1HG LYS 156 -8.562 -13.224 3.990 1160 2HG LYS 156 2HG LYS 156 -7.510 -14.584 4.389 1161 1HD LYS 156 1HD LYS 156 -8.595 -15.811 2.423 1162 2HD LYS 156 2HD LYS 156 -9.794 -14.517 2.404 1163 1HE LYS 156 1HE LYS 156 -10.846 -15.992 3.846 1164 2HE LYS 156 2HE LYS 156 -9.895 -15.075 5.014 1165 1HZ LYS 156 1HZ LYS 156 -8.153 -16.761 4.841 1166 2HZ LYS 156 2HZ LYS 156 -9.114 -17.654 3.760 1167 3HZ LYS 156 3HZ LYS 156 -9.618 -17.433 5.368 1168 H MET 157 H MET 157 -3.821 -13.570 2.109 1169 HA MET 157 HA MET 157 -3.153 -15.586 4.035 1170 1HB MET 157 1HB MET 157 -0.800 -14.466 2.771 1171 2HB MET 157 2HB MET 157 -2.097 -14.644 1.592 1172 1HG MET 157 1HG MET 157 -1.436 -16.808 1.465 1173 2HG MET 157 2HG MET 157 -2.261 -17.007 3.012 1174 1HE MET 157 1HE MET 157 0.628 -15.563 1.333 1175 2HE MET 157 2HE MET 157 1.538 -17.071 1.371 1176 3HE MET 157 3HE MET 157 2.034 -15.726 2.393 1177 H MET 158 H MET 158 -2.354 -12.141 3.825 1178 HA MET 158 HA MET 158 -1.120 -12.348 6.540 1179 1HB MET 158 1HB MET 158 -0.251 -10.124 4.767 1180 2HB MET 158 2HB MET 158 0.318 -11.733 4.319 1181 1HG MET 158 1HG MET 158 1.538 -11.992 6.278 1182 2HG MET 158 2HG MET 158 0.506 -10.890 7.191 1183 1HE MET 158 1HE MET 158 1.557 -7.492 6.622 1184 2HE MET 158 2HE MET 158 1.875 -8.552 7.994 1185 3HE MET 158 3HE MET 158 0.349 -8.682 7.123 1186 H GLU 159 H GLU 159 -3.881 -11.850 6.023 1187 HA GLU 159 HA GLU 159 -4.462 -9.015 6.007 1188 1HB GLU 159 1HB GLU 159 -6.320 -11.007 7.264 1189 2HB GLU 159 2HB GLU 159 -6.012 -11.110 5.531 1190 1HG GLU 159 1HG GLU 159 -7.693 -9.575 5.387 1191 2HG GLU 159 2HG GLU 159 -6.433 -8.423 5.826 1192 H GLY 160 H GLY 160 -4.002 -11.440 8.553 1193 1HA GLY 160 1HA GLY 160 -4.155 -9.245 10.584 1194 2HA GLY 160 2HA GLY 160 -2.863 -10.444 10.610 1195 H VAL 161 H VAL 161 -3.331 -12.542 11.372 1196 HA VAL 161 HA VAL 161 -6.075 -12.907 12.512 1197 HB VAL 161 HB VAL 161 -5.458 -14.464 10.633 1198 1HG1 VAL 161 1HG1 VAL 161 -3.450 -15.531 12.642 1199 2HG1 VAL 161 2HG1 VAL 161 -3.046 -14.665 11.160 1200 3HG1 VAL 161 3HG1 VAL 161 -3.826 -16.244 11.074 1201 1HG2 VAL 161 1HG2 VAL 161 -5.638 -16.232 13.010 1202 2HG2 VAL 161 2HG2 VAL 161 -6.688 -16.135 11.596 1203 3HG2 VAL 161 3HG2 VAL 161 -6.858 -14.962 12.903 1204 H GLN 162 H GLN 162 -3.803 -11.588 13.824 1205 HA GLN 162 HA GLN 162 -3.535 -13.438 16.156 1206 1HB GLN 162 1HB GLN 162 -1.233 -11.781 16.091 1207 2HB GLN 162 2HB GLN 162 -1.414 -12.457 14.473 1208 1HG GLN 162 1HG GLN 162 -0.233 -14.171 15.501 1209 2HG GLN 162 2HG GLN 162 -1.884 -14.691 15.842 1210 1HE2 GLN 162 1HE2 GLN 162 0.961 -13.059 17.281 1211 2HE2 GLN 162 2HE2 GLN 162 0.471 -13.274 18.892 Start of MODEL 23 Raw file had 1211 H/Q atoms Start of MODEL 23 1 1H ALA 1 1H ALA 1 -6.127 22.720 -29.735 2 2H ALA 1 2H ALA 1 -4.441 22.910 -29.655 3 3H ALA 1 3H ALA 1 -5.309 23.555 -30.964 4 HA ALA 1 HA ALA 1 -4.789 25.362 -29.546 5 1HB ALA 1 1HB ALA 1 -7.649 24.476 -29.048 6 2HB ALA 1 2HB ALA 1 -7.085 25.329 -30.484 7 3HB ALA 1 3HB ALA 1 -7.039 26.124 -28.910 8 H SER 2 H SER 2 -6.705 22.990 -27.631 9 HA SER 2 HA SER 2 -5.562 24.100 -25.144 10 1HB SER 2 1HB SER 2 -7.886 23.563 -24.986 11 2HB SER 2 2HB SER 2 -7.044 22.308 -24.083 12 HG SER 2 HG SER 2 -8.597 22.059 -26.260 13 H MET 3 H MET 3 -3.353 23.477 -25.383 14 HA MET 3 HA MET 3 -2.828 20.537 -25.381 15 1HB MET 3 1HB MET 3 -1.672 21.824 -27.149 16 2HB MET 3 2HB MET 3 -0.527 21.097 -26.025 17 1HG MET 3 1HG MET 3 0.341 23.132 -25.618 18 2HG MET 3 2HG MET 3 -1.216 23.660 -24.987 19 1HE MET 3 1HE MET 3 -0.552 26.365 -26.118 20 2HE MET 3 2HE MET 3 -1.954 25.513 -25.477 21 3HE MET 3 3HE MET 3 -2.085 26.387 -27.001 22 H THR 4 H THR 4 -2.475 23.465 -23.459 23 HA THR 4 HA THR 4 -0.740 22.109 -21.490 24 HB THR 4 HB THR 4 -1.033 24.304 -20.228 25 HG1 THR 4 HG1 THR 4 -2.515 25.572 -20.958 26 1HG2 THR 4 1HG2 THR 4 -0.037 24.699 -23.050 27 2HG2 THR 4 2HG2 THR 4 0.833 23.704 -21.883 28 3HG2 THR 4 3HG2 THR 4 0.580 25.420 -21.564 29 H ASP 5 H ASP 5 -2.482 20.420 -21.216 30 HA ASP 5 HA ASP 5 -4.717 21.323 -19.462 31 1HB ASP 5 1HB ASP 5 -5.477 18.901 -19.788 32 2HB ASP 5 2HB ASP 5 -4.185 18.753 -20.977 33 H GLN 6 H GLN 6 -2.161 18.830 -19.630 34 HA GLN 6 HA GLN 6 -2.432 18.042 -16.857 35 1HB GLN 6 1HB GLN 6 -0.308 16.842 -17.223 36 2HB GLN 6 2HB GLN 6 -0.078 17.697 -18.747 37 1HG GLN 6 1HG GLN 6 -2.660 16.612 -18.925 38 2HG GLN 6 2HG GLN 6 -1.691 15.340 -18.181 39 1HE2 GLN 6 1HE2 GLN 6 -2.084 17.300 -21.114 40 2HE2 GLN 6 2HE2 GLN 6 -1.009 16.399 -22.069 41 H GLN 7 H GLN 7 -0.330 20.320 -18.614 42 HA GLN 7 HA GLN 7 1.295 21.002 -16.319 43 1HB GLN 7 1HB GLN 7 1.906 23.019 -17.733 44 2HB GLN 7 2HB GLN 7 0.775 22.419 -18.946 45 1HG GLN 7 1HG GLN 7 2.216 20.162 -18.483 46 2HG GLN 7 2HG GLN 7 3.447 21.383 -18.161 47 1HE2 GLN 7 1HE2 GLN 7 0.943 20.571 -20.643 48 2HE2 GLN 7 2HE2 GLN 7 1.857 21.135 -21.957 49 H ALA 8 H ALA 8 -1.616 22.439 -17.803 50 HA ALA 8 HA ALA 8 -1.737 24.732 -16.075 51 1HB ALA 8 1HB ALA 8 -3.001 24.638 -18.166 52 2HB ALA 8 2HB ALA 8 -4.104 24.883 -16.812 53 3HB ALA 8 3HB ALA 8 -3.957 23.289 -17.552 54 H GLU 9 H GLU 9 -2.284 21.426 -15.346 55 HA GLU 9 HA GLU 9 -3.974 22.171 -12.992 56 1HB GLU 9 1HB GLU 9 -4.430 19.662 -12.906 57 2HB GLU 9 2HB GLU 9 -3.636 19.551 -14.477 58 1HG GLU 9 1HG GLU 9 -5.268 21.279 -15.329 59 2HG GLU 9 2HG GLU 9 -6.117 21.157 -13.787 60 H ALA 10 H ALA 10 -1.226 20.114 -13.995 61 HA ALA 10 HA ALA 10 -0.411 19.366 -11.353 62 1HB ALA 10 1HB ALA 10 1.808 18.911 -12.448 63 2HB ALA 10 2HB ALA 10 1.176 19.636 -13.926 64 3HB ALA 10 3HB ALA 10 0.446 18.164 -13.283 65 NH1 ARG 11 NH1 ARG 11 -0.100 29.737 -11.770 66 NH2 ARG 11 NH2 ARG 11 1.996 30.173 -12.520 67 H ARG 11 H ARG 11 0.065 22.294 -13.234 68 HA ARG 11 HA ARG 11 2.272 23.354 -11.732 69 1HB ARG 11 1HB ARG 11 0.124 24.834 -13.290 70 2HB ARG 11 2HB ARG 11 1.582 24.144 -14.008 71 1HG ARG 11 1HG ARG 11 2.814 25.903 -13.343 72 2HG ARG 11 2HG ARG 11 2.235 25.713 -11.691 73 1HD ARG 11 1HD ARG 11 0.021 26.782 -12.755 74 2HD ARG 11 2HD ARG 11 1.199 27.462 -13.878 75 HE ARG 11 HE ARG 11 1.928 27.810 -11.066 76 1HH1 ARG 11 1HH1 ARG 11 -0.351 30.696 -11.908 77 2HH1 ARG 11 2HH1 ARG 11 -0.776 29.090 -11.415 78 1HH2 ARG 11 1HH2 ARG 11 2.921 29.859 -12.738 79 2HH2 ARG 11 2HH2 ARG 11 1.749 31.131 -12.659 80 H ALA 12 H ALA 12 -1.273 23.668 -11.507 81 HA ALA 12 HA ALA 12 -1.240 25.504 -9.275 82 1HB ALA 12 1HB ALA 12 -3.253 25.439 -10.536 83 2HB ALA 12 2HB ALA 12 -3.658 24.649 -9.013 84 3HB ALA 12 3HB ALA 12 -3.343 23.679 -10.452 85 H PHE 13 H PHE 13 -0.682 22.096 -9.540 86 HA PHE 13 HA PHE 13 -1.592 21.250 -6.952 87 1HB PHE 13 1HB PHE 13 0.815 20.015 -8.259 88 2HB PHE 13 2HB PHE 13 -0.755 19.873 -9.046 89 HD1 PHE 13 HD1 PHE 13 -2.750 19.212 -7.378 90 HD2 PHE 13 HD2 PHE 13 1.412 18.361 -6.726 91 HE1 PHE 13 HE1 PHE 13 -3.366 17.379 -5.828 92 HE2 PHE 13 HE2 PHE 13 0.793 16.528 -5.176 93 HZ PHE 13 HZ PHE 13 -1.595 16.037 -4.726 94 H LEU 14 H LEU 14 1.500 22.629 -8.065 95 HA LEU 14 HA LEU 14 2.482 22.574 -5.248 96 1HB LEU 14 1HB LEU 14 4.202 21.672 -6.569 97 2HB LEU 14 2HB LEU 14 4.682 23.362 -6.406 98 HG LEU 14 HG LEU 14 3.085 23.440 -8.650 99 1HD1 LEU 14 1HD1 LEU 14 4.989 24.246 -9.583 100 2HD1 LEU 14 2HD1 LEU 14 5.906 22.790 -9.196 101 3HD1 LEU 14 3HD1 LEU 14 5.675 24.038 -7.972 102 1HD2 LEU 14 1HD2 LEU 14 4.736 20.897 -8.779 103 2HD2 LEU 14 2HD2 LEU 14 3.741 21.572 -10.071 104 3HD2 LEU 14 3HD2 LEU 14 2.980 20.935 -8.613 105 H SER 15 H SER 15 2.500 24.415 -4.106 106 HA SER 15 HA SER 15 1.560 26.911 -5.297 107 1HB SER 15 1HB SER 15 1.847 27.814 -2.998 108 2HB SER 15 2HB SER 15 2.608 26.302 -2.515 109 HG SER 15 HG SER 15 -0.022 26.876 -2.833 110 H GLU 16 H GLU 16 2.955 28.968 -4.413 111 HA GLU 16 HA GLU 16 5.344 29.016 -5.974 112 1HB GLU 16 1HB GLU 16 5.605 31.060 -4.068 113 2HB GLU 16 2HB GLU 16 3.866 30.867 -4.294 114 1HG GLU 16 1HG GLU 16 4.519 32.412 -5.976 115 2HG GLU 16 2HG GLU 16 4.378 30.871 -6.824 116 H GLU 17 H GLU 17 4.800 28.096 -2.625 117 HA GLU 17 HA GLU 17 7.509 28.357 -1.697 118 1HB GLU 17 1HB GLU 17 6.291 26.129 -0.406 119 2HB GLU 17 2HB GLU 17 5.017 27.316 -0.688 120 1HG GLU 17 1HG GLU 17 5.898 28.019 1.366 121 2HG GLU 17 2HG GLU 17 6.781 29.031 0.221 122 H MET 18 H MET 18 5.698 25.622 -3.106 123 HA MET 18 HA MET 18 7.959 23.813 -3.143 124 1HB MET 18 1HB MET 18 6.076 23.209 -5.223 125 2HB MET 18 2HB MET 18 5.181 23.712 -3.792 126 1HG MET 18 1HG MET 18 7.442 21.730 -3.563 127 2HG MET 18 2HG MET 18 5.827 21.197 -4.030 128 1HE MET 18 1HE MET 18 5.279 19.793 -2.493 129 2HE MET 18 2HE MET 18 3.854 20.749 -2.096 130 3HE MET 18 3HE MET 18 4.837 20.068 -0.802 131 H ILE 19 H ILE 19 6.369 25.836 -5.597 132 HA ILE 19 HA ILE 19 7.939 25.282 -7.852 133 HB ILE 19 HB ILE 19 6.764 27.926 -6.935 134 1HG1 ILE 19 1HG1 ILE 19 5.300 25.851 -7.465 135 2HG1 ILE 19 2HG1 ILE 19 5.786 26.109 -9.141 136 1HG2 ILE 19 1HG2 ILE 19 8.072 27.129 -9.544 137 2HG2 ILE 19 2HG2 ILE 19 8.446 28.516 -8.522 138 3HG2 ILE 19 3HG2 ILE 19 6.937 28.474 -9.433 139 1HD1 ILE 19 1HD1 ILE 19 5.048 28.589 -8.680 140 2HD1 ILE 19 2HD1 ILE 19 4.135 27.875 -7.352 141 3HD1 ILE 19 3HD1 ILE 19 3.819 27.370 -9.011 142 H ALA 20 H ALA 20 8.692 27.516 -5.167 143 HA ALA 20 HA ALA 20 11.072 28.642 -6.254 144 1HB ALA 20 1HB ALA 20 10.196 29.677 -4.310 145 2HB ALA 20 2HB ALA 20 11.697 28.923 -3.774 146 3HB ALA 20 3HB ALA 20 10.150 28.155 -3.421 147 H GLU 21 H GLU 21 10.631 25.745 -4.192 148 HA GLU 21 HA GLU 21 13.412 25.048 -4.066 149 1HB GLU 21 1HB GLU 21 12.434 22.688 -3.633 150 2HB GLU 21 2HB GLU 21 10.857 23.471 -3.727 151 1HG GLU 21 1HG GLU 21 11.199 24.693 -1.783 152 2HG GLU 21 2HG GLU 21 12.952 24.703 -1.974 153 H PHE 22 H PHE 22 10.834 24.227 -6.375 154 HA PHE 22 HA PHE 22 12.425 22.370 -7.921 155 1HB PHE 22 1HB PHE 22 10.670 22.569 -9.611 156 2HB PHE 22 2HB PHE 22 10.045 24.017 -8.834 157 HD1 PHE 22 HD1 PHE 22 11.251 20.883 -7.184 158 HD2 PHE 22 HD2 PHE 22 7.871 23.348 -8.166 159 HE1 PHE 22 HE1 PHE 22 9.806 19.483 -5.737 160 HE2 PHE 22 HE2 PHE 22 6.431 21.946 -6.719 161 HZ PHE 22 HZ PHE 22 7.397 20.014 -5.505 162 H LYS 23 H LYS 23 12.072 25.878 -7.901 163 HA LYS 23 HA LYS 23 13.226 26.359 -10.502 164 1HB LYS 23 1HB LYS 23 13.346 28.232 -8.128 165 2HB LYS 23 2HB LYS 23 11.880 28.000 -9.079 166 1HG LYS 23 1HG LYS 23 12.971 28.790 -11.082 167 2HG LYS 23 2HG LYS 23 14.545 28.798 -10.287 168 1HD LYS 23 1HD LYS 23 12.231 30.465 -9.281 169 2HD LYS 23 2HD LYS 23 13.353 31.064 -10.503 170 1HE LYS 23 1HE LYS 23 15.242 30.570 -8.926 171 2HE LYS 23 2HE LYS 23 14.051 30.136 -7.699 172 1HZ LYS 23 1HZ LYS 23 13.123 32.356 -7.853 173 2HZ LYS 23 2HZ LYS 23 14.255 32.776 -9.049 174 3HZ LYS 23 3HZ LYS 23 14.773 32.432 -7.469 175 H ALA 24 H ALA 24 14.614 25.778 -7.301 176 HA ALA 24 HA ALA 24 17.245 26.772 -7.825 177 1HB ALA 24 1HB ALA 24 17.936 25.200 -5.984 178 2HB ALA 24 2HB ALA 24 16.290 24.566 -5.980 179 3HB ALA 24 3HB ALA 24 16.586 26.251 -5.553 180 H ALA 25 H ALA 25 15.978 23.433 -8.059 181 HA ALA 25 HA ALA 25 18.393 22.394 -9.271 182 1HB ALA 25 1HB ALA 25 16.635 21.036 -8.035 183 2HB ALA 25 2HB ALA 25 17.165 20.353 -9.573 184 3HB ALA 25 3HB ALA 25 15.619 21.195 -9.468 185 H PHE 26 H PHE 26 15.374 23.727 -10.549 186 HA PHE 26 HA PHE 26 15.744 22.928 -13.283 187 1HB PHE 26 1HB PHE 26 14.277 25.338 -12.161 188 2HB PHE 26 2HB PHE 26 13.582 23.732 -12.371 189 HD1 PHE 26 HD1 PHE 26 13.350 22.767 -14.666 190 HD2 PHE 26 HD2 PHE 26 14.533 26.842 -14.002 191 HE1 PHE 26 HE1 PHE 26 12.790 23.310 -17.021 192 HE2 PHE 26 HE2 PHE 26 13.973 27.386 -16.358 193 HZ PHE 26 HZ PHE 26 13.105 25.620 -17.863 194 H ASP 27 H ASP 27 16.555 25.958 -11.568 195 HA ASP 27 HA ASP 27 17.680 27.335 -13.792 196 1HB ASP 27 1HB ASP 27 18.254 27.520 -10.826 197 2HB ASP 27 2HB ASP 27 17.142 28.518 -11.754 198 H MET 28 H MET 28 18.973 24.745 -11.809 199 HA MET 28 HA MET 28 21.765 25.093 -12.261 200 1HB MET 28 1HB MET 28 20.385 22.406 -12.175 201 2HB MET 28 2HB MET 28 20.570 23.401 -10.735 202 1HG MET 28 1HG MET 28 23.045 23.474 -11.192 203 2HG MET 28 2HG MET 28 22.781 22.327 -12.506 204 1HE MET 28 1HE MET 28 22.849 23.192 -8.942 205 2HE MET 28 2HE MET 28 22.580 21.724 -8.007 206 3HE MET 28 3HE MET 28 21.211 22.553 -8.743 207 H PHE 29 H PHE 29 19.487 22.961 -14.048 208 HA PHE 29 HA PHE 29 21.298 22.360 -16.175 209 1HB PHE 29 1HB PHE 29 18.856 22.175 -17.382 210 2HB PHE 29 2HB PHE 29 18.397 22.064 -15.684 211 HD1 PHE 29 HD1 PHE 29 20.299 20.472 -18.419 212 HD2 PHE 29 HD2 PHE 29 19.165 20.215 -14.280 213 HE1 PHE 29 HE1 PHE 29 21.082 18.120 -18.348 214 HE2 PHE 29 HE2 PHE 29 19.950 17.865 -14.213 215 HZ PHE 29 HZ PHE 29 20.909 16.817 -16.245 216 H ASP 30 H ASP 30 19.383 25.154 -15.488 217 HA ASP 30 HA ASP 30 19.516 26.241 -18.216 218 1HB ASP 30 1HB ASP 30 18.803 27.790 -15.740 219 2HB ASP 30 2HB ASP 30 17.660 26.651 -16.451 220 H ALA 31 H ALA 31 22.073 25.624 -17.292 221 HA ALA 31 HA ALA 31 23.472 27.740 -15.986 222 1HB ALA 31 1HB ALA 31 24.432 25.626 -17.930 223 2HB ALA 31 2HB ALA 31 24.505 25.566 -16.169 224 3HB ALA 31 3HB ALA 31 25.512 26.713 -17.056 225 H ASP 32 H ASP 32 22.489 27.345 -19.352 226 HA ASP 32 HA ASP 32 24.244 29.501 -20.295 227 1HB ASP 32 1HB ASP 32 22.664 29.218 -22.377 228 2HB ASP 32 2HB ASP 32 22.146 27.753 -21.545 229 H GLY 33 H GLY 33 20.854 29.144 -19.303 230 1HA GLY 33 1HA GLY 33 20.520 32.091 -19.735 231 2HA GLY 33 2HA GLY 33 19.920 31.275 -18.292 232 H GLY 34 H GLY 34 17.823 32.259 -19.048 233 1HA GLY 34 1HA GLY 34 16.544 30.617 -21.201 234 2HA GLY 34 2HA GLY 34 16.050 32.261 -20.797 235 H GLY 35 H GLY 35 13.911 30.951 -20.663 236 1HA GLY 35 1HA GLY 35 12.198 30.653 -18.994 237 2HA GLY 35 2HA GLY 35 13.449 30.312 -17.802 238 H ASP 36 H ASP 36 13.987 28.618 -20.732 239 HA ASP 36 HA ASP 36 12.890 26.139 -19.483 240 1HB ASP 36 1HB ASP 36 11.973 25.385 -21.527 241 2HB ASP 36 2HB ASP 36 12.846 26.588 -22.463 242 H ILE 37 H ILE 37 13.909 24.142 -20.492 243 HA ILE 37 HA ILE 37 16.819 24.658 -20.948 244 HB ILE 37 HB ILE 37 15.578 21.971 -20.331 245 1HG1 ILE 37 1HG1 ILE 37 16.055 22.396 -17.940 246 2HG1 ILE 37 2HG1 ILE 37 14.848 23.521 -18.557 247 1HG2 ILE 37 1HG2 ILE 37 17.886 21.665 -19.293 248 2HG2 ILE 37 2HG2 ILE 37 18.331 23.194 -20.050 249 3HG2 ILE 37 3HG2 ILE 37 17.855 21.822 -21.049 250 1HD1 ILE 37 1HD1 ILE 37 16.581 25.247 -18.837 251 2HD1 ILE 37 2HD1 ILE 37 17.811 24.119 -18.267 252 3HD1 ILE 37 3HD1 ILE 37 16.548 24.676 -17.169 253 H SER 38 H SER 38 17.889 23.286 -22.621 254 HA SER 38 HA SER 38 15.997 22.328 -24.728 255 1HB SER 38 1HB SER 38 17.817 23.274 -26.356 256 2HB SER 38 2HB SER 38 18.272 24.282 -24.985 257 HG SER 38 HG SER 38 16.431 24.862 -26.624 258 H THR 39 H THR 39 17.393 21.089 -26.484 259 HA THR 39 HA THR 39 18.680 18.886 -25.128 260 HB THR 39 HB THR 39 19.039 19.371 -28.073 261 HG1 THR 39 HG1 THR 39 16.645 18.424 -26.886 262 1HG2 THR 39 1HG2 THR 39 18.266 16.829 -27.838 263 2HG2 THR 39 2HG2 THR 39 18.837 17.065 -26.186 264 3HG2 THR 39 3HG2 THR 39 19.936 17.312 -27.543 265 H LYS 40 H LYS 40 19.955 21.463 -27.278 266 HA LYS 40 HA LYS 40 22.698 20.686 -27.067 267 1HB LYS 40 1HB LYS 40 22.084 22.248 -28.799 268 2HB LYS 40 2HB LYS 40 23.189 23.077 -27.709 269 1HG LYS 40 1HG LYS 40 21.557 24.478 -26.885 270 2HG LYS 40 2HG LYS 40 20.267 23.302 -27.132 271 1HD LYS 40 1HD LYS 40 20.086 23.800 -29.422 272 2HD LYS 40 2HD LYS 40 21.700 24.506 -29.492 273 1HE LYS 40 1HE LYS 40 20.390 26.427 -29.491 274 2HE LYS 40 2HE LYS 40 20.671 26.227 -27.762 275 1HZ LYS 40 1HZ LYS 40 18.327 26.618 -28.288 276 2HZ LYS 40 2HZ LYS 40 18.565 25.103 -27.557 277 3HZ LYS 40 3HZ LYS 40 18.298 25.208 -29.232 278 H GLU 41 H GLU 41 20.757 22.961 -25.129 279 HA GLU 41 HA GLU 41 22.865 23.843 -23.405 280 1HB GLU 41 1HB GLU 41 20.284 23.658 -22.064 281 2HB GLU 41 2HB GLU 41 20.121 24.344 -23.680 282 1HG GLU 41 1HG GLU 41 20.751 26.298 -22.717 283 2HG GLU 41 2HG GLU 41 22.377 25.616 -22.719 284 H LEU 42 H LEU 42 20.841 20.961 -23.394 285 HA LEU 42 HA LEU 42 21.285 20.051 -20.735 286 1HB LEU 42 1HB LEU 42 21.262 17.864 -22.632 287 2HB LEU 42 2HB LEU 42 20.067 19.075 -23.086 288 HG LEU 42 HG LEU 42 20.338 17.886 -20.313 289 1HD1 LEU 42 1HD1 LEU 42 18.085 19.506 -21.533 290 2HD1 LEU 42 2HD1 LEU 42 19.351 20.203 -20.526 291 3HD1 LEU 42 3HD1 LEU 42 18.247 19.008 -19.849 292 1HD2 LEU 42 1HD2 LEU 42 19.419 16.562 -22.528 293 2HD2 LEU 42 2HD2 LEU 42 17.937 17.319 -21.945 294 3HD2 LEU 42 3HD2 LEU 42 18.856 16.248 -20.887 295 H GLY 43 H GLY 43 23.088 19.290 -23.735 296 1HA GLY 43 1HA GLY 43 25.303 18.586 -24.052 297 2HA GLY 43 2HA GLY 43 25.092 17.655 -22.570 298 H THR 44 H THR 44 24.781 21.171 -22.698 299 HA THR 44 HA THR 44 27.477 21.804 -21.906 300 HB THR 44 HB THR 44 25.069 23.468 -21.157 301 HG1 THR 44 HG1 THR 44 24.897 24.131 -23.211 302 1HG2 THR 44 1HG2 THR 44 27.849 24.189 -22.125 303 2HG2 THR 44 2HG2 THR 44 27.345 24.172 -20.436 304 3HG2 THR 44 3HG2 THR 44 26.614 25.314 -21.563 305 H VAL 45 H VAL 45 24.488 21.212 -20.059 306 HA VAL 45 HA VAL 45 25.678 21.729 -17.474 307 HB VAL 45 HB VAL 45 23.233 20.050 -18.130 308 1HG1 VAL 45 1HG1 VAL 45 23.909 19.694 -15.847 309 2HG1 VAL 45 2HG1 VAL 45 22.561 20.831 -15.809 310 3HG1 VAL 45 3HG1 VAL 45 24.213 21.414 -15.607 311 1HG2 VAL 45 1HG2 VAL 45 23.422 22.556 -18.947 312 2HG2 VAL 45 2HG2 VAL 45 23.139 22.920 -17.245 313 3HG2 VAL 45 3HG2 VAL 45 21.948 21.995 -18.159 314 H MET 46 H MET 46 25.510 18.880 -19.549 315 HA MET 46 HA MET 46 26.254 17.001 -17.460 316 1HB MET 46 1HB MET 46 26.526 15.396 -19.222 317 2HB MET 46 2HB MET 46 26.728 16.661 -20.434 318 1HG MET 46 1HG MET 46 24.504 16.795 -20.746 319 2HG MET 46 2HG MET 46 24.226 17.015 -19.020 320 1HE MET 46 1HE MET 46 23.054 15.290 -17.554 321 2HE MET 46 2HE MET 46 22.021 14.212 -18.489 322 3HE MET 46 3HE MET 46 22.120 15.918 -18.920 323 NH1 ARG 47 NH1 ARG 47 30.470 18.338 -25.299 324 NH2 ARG 47 NH2 ARG 47 28.341 17.580 -25.468 325 H ARG 47 H ARG 47 28.043 18.609 -20.102 326 HA ARG 47 HA ARG 47 30.624 17.611 -19.277 327 1HB ARG 47 1HB ARG 47 31.300 19.754 -20.730 328 2HB ARG 47 2HB ARG 47 29.613 19.626 -21.228 329 1HG ARG 47 1HG ARG 47 31.287 17.140 -21.187 330 2HG ARG 47 2HG ARG 47 31.516 18.284 -22.506 331 1HD ARG 47 1HD ARG 47 28.782 17.269 -21.705 332 2HD ARG 47 2HD ARG 47 29.781 16.441 -22.898 333 HE ARG 47 HE ARG 47 28.670 19.192 -23.226 334 1HH1 ARG 47 1HH1 ARG 47 28.489 17.376 -26.436 335 2HH1 ARG 47 2HH1 ARG 47 27.452 17.393 -25.050 336 1HH2 ARG 47 1HH2 ARG 47 31.209 18.730 -24.750 337 2HH2 ARG 47 2HH2 ARG 47 30.622 18.134 -26.267 338 H MET 48 H MET 48 28.643 20.200 -18.036 339 HA MET 48 HA MET 48 30.821 21.865 -17.095 340 1HB MET 48 1HB MET 48 28.341 22.534 -17.365 341 2HB MET 48 2HB MET 48 29.193 23.135 -15.949 342 1HG MET 48 1HG MET 48 27.931 20.518 -15.516 343 2HG MET 48 2HG MET 48 26.782 21.794 -15.904 344 1HE MET 48 1HE MET 48 25.776 21.205 -13.610 345 2HE MET 48 2HE MET 48 25.633 22.908 -14.038 346 3HE MET 48 3HE MET 48 26.038 22.454 -12.386 347 H LEU 49 H LEU 49 29.226 18.997 -15.857 348 HA LEU 49 HA LEU 49 30.450 19.266 -13.191 349 1HB LEU 49 1HB LEU 49 29.000 16.885 -14.389 350 2HB LEU 49 2HB LEU 49 28.186 18.212 -13.560 351 HG LEU 49 HG LEU 49 30.441 17.124 -12.028 352 1HD1 LEU 49 1HD1 LEU 49 28.716 18.674 -11.149 353 2HD1 LEU 49 2HD1 LEU 49 28.762 17.164 -10.239 354 3HD1 LEU 49 3HD1 LEU 49 27.485 17.441 -11.423 355 1HD2 LEU 49 1HD2 LEU 49 28.036 15.341 -12.525 356 2HD2 LEU 49 2HD2 LEU 49 29.394 15.000 -11.453 357 3HD2 LEU 49 3HD2 LEU 49 29.641 15.055 -13.199 358 H GLY 50 H GLY 50 31.084 17.646 -16.254 359 1HA GLY 50 1HA GLY 50 33.427 16.263 -15.007 360 2HA GLY 50 2HA GLY 50 33.615 17.210 -16.481 361 H GLN 51 H GLN 51 30.590 15.697 -16.567 362 HA GLN 51 HA GLN 51 31.577 13.129 -17.632 363 1HB GLN 51 1HB GLN 51 28.708 13.951 -17.828 364 2HB GLN 51 2HB GLN 51 29.372 13.648 -16.222 365 1HG GLN 51 1HG GLN 51 29.783 11.398 -16.676 366 2HG GLN 51 2HG GLN 51 29.882 11.662 -18.418 367 1HE2 GLN 51 1HE2 GLN 51 27.775 12.079 -19.565 368 2HE2 GLN 51 2HE2 GLN 51 26.334 11.480 -18.898 369 H ASN 52 H ASN 52 31.355 12.508 -19.828 370 HA ASN 52 HA ASN 52 30.643 14.720 -21.715 371 1HB ASN 52 1HB ASN 52 32.757 12.612 -22.226 372 2HB ASN 52 2HB ASN 52 33.128 14.189 -21.533 373 1HD2 ASN 52 1HD2 ASN 52 33.534 12.775 -24.348 374 2HD2 ASN 52 2HD2 ASN 52 33.105 14.006 -25.433 375 HA PRO 53 HA PRO 53 28.032 11.055 -22.703 376 1HB PRO 53 1HB PRO 53 26.318 11.759 -21.331 377 2HB PRO 53 2HB PRO 53 25.680 12.475 -22.822 378 1HG PRO 53 1HG PRO 53 26.299 13.925 -20.538 379 2HG PRO 53 2HG PRO 53 26.273 14.619 -22.168 380 1HD PRO 53 1HD PRO 53 28.580 14.060 -20.424 381 2HD PRO 53 2HD PRO 53 28.516 15.036 -21.908 382 H THR 54 H THR 54 26.245 11.095 -24.618 383 HA THR 54 HA THR 54 27.497 12.629 -26.853 384 HB THR 54 HB THR 54 27.599 10.410 -27.545 385 HG1 THR 54 HG1 THR 54 26.554 11.212 -29.214 386 1HG2 THR 54 1HG2 THR 54 26.593 9.101 -25.930 387 2HG2 THR 54 2HG2 THR 54 25.405 8.947 -27.224 388 3HG2 THR 54 3HG2 THR 54 25.128 10.079 -25.903 389 H LYS 55 H LYS 55 26.094 13.587 -28.443 390 HA LYS 55 HA LYS 55 23.900 15.067 -27.312 391 1HB LYS 55 1HB LYS 55 23.531 15.746 -29.728 392 2HB LYS 55 2HB LYS 55 24.848 14.652 -30.147 393 1HG LYS 55 1HG LYS 55 26.228 15.945 -28.381 394 2HG LYS 55 2HG LYS 55 24.954 17.161 -28.463 395 1HD LYS 55 1HD LYS 55 25.323 17.422 -30.871 396 2HD LYS 55 2HD LYS 55 26.535 16.139 -30.844 397 1HE LYS 55 1HE LYS 55 27.728 17.598 -29.059 398 2HE LYS 55 2HE LYS 55 26.686 18.899 -29.632 399 1HZ LYS 55 1HZ LYS 55 28.597 17.312 -31.259 400 2HZ LYS 55 2HZ LYS 55 28.739 18.950 -30.833 401 3HZ LYS 55 3HZ LYS 55 27.512 18.451 -31.897 402 H GLU 56 H GLU 56 24.032 12.272 -29.539 403 HA GLU 56 HA GLU 56 21.233 12.143 -30.087 404 1HB GLU 56 1HB GLU 56 22.861 10.861 -31.399 405 2HB GLU 56 2HB GLU 56 21.647 9.782 -30.715 406 1HG GLU 56 1HG GLU 56 23.558 9.818 -28.730 407 2HG GLU 56 2HG GLU 56 24.543 9.933 -30.183 408 H GLU 57 H GLU 57 23.110 11.012 -27.332 409 HA GLU 57 HA GLU 57 20.988 9.362 -26.208 410 1HB GLU 57 1HB GLU 57 22.438 9.837 -24.043 411 2HB GLU 57 2HB GLU 57 23.602 10.452 -25.214 412 1HG GLU 57 1HG GLU 57 24.180 8.173 -25.032 413 2HG GLU 57 2HG GLU 57 23.165 8.211 -26.474 414 H LEU 58 H LEU 58 22.168 12.661 -25.663 415 HA LEU 58 HA LEU 58 20.318 13.360 -23.596 416 1HB LEU 58 1HB LEU 58 20.859 15.750 -24.593 417 2HB LEU 58 2HB LEU 58 22.061 14.855 -25.525 418 HG LEU 58 HG LEU 58 22.933 13.895 -23.390 419 1HD1 LEU 58 1HD1 LEU 58 24.246 15.759 -22.884 420 2HD1 LEU 58 2HD1 LEU 58 22.901 16.882 -23.078 421 3HD1 LEU 58 3HD1 LEU 58 23.659 16.161 -24.497 422 1HD2 LEU 58 1HD2 LEU 58 21.746 15.886 -21.646 423 2HD2 LEU 58 2HD2 LEU 58 21.796 14.133 -21.459 424 3HD2 LEU 58 3HD2 LEU 58 20.496 14.884 -22.382 425 H ASP 59 H ASP 59 20.148 13.525 -27.110 426 HA ASP 59 HA ASP 59 17.715 15.026 -27.313 427 1HB ASP 59 1HB ASP 59 18.507 12.870 -29.271 428 2HB ASP 59 2HB ASP 59 19.415 14.378 -29.176 429 H ALA 60 H ALA 60 18.401 11.578 -26.863 430 HA ALA 60 HA ALA 60 15.656 10.697 -27.188 431 1HB ALA 60 1HB ALA 60 17.728 9.225 -27.358 432 2HB ALA 60 2HB ALA 60 16.429 8.573 -26.358 433 3HB ALA 60 3HB ALA 60 17.837 9.316 -25.599 434 H ILE 61 H ILE 61 17.636 11.813 -24.498 435 HA ILE 61 HA ILE 61 15.946 11.087 -22.328 436 HB ILE 61 HB ILE 61 18.022 13.220 -22.790 437 1HG1 ILE 61 1HG1 ILE 61 18.365 10.669 -22.239 438 2HG1 ILE 61 2HG1 ILE 61 17.964 11.164 -20.595 439 1HG2 ILE 61 1HG2 ILE 61 17.790 13.791 -20.335 440 2HG2 ILE 61 2HG2 ILE 61 16.260 12.915 -20.336 441 3HG2 ILE 61 3HG2 ILE 61 16.453 14.354 -21.337 442 1HD1 ILE 61 1HD1 ILE 61 20.071 11.912 -20.331 443 2HD1 ILE 61 2HD1 ILE 61 19.808 13.073 -21.632 444 3HD1 ILE 61 3HD1 ILE 61 20.449 11.472 -21.997 445 H ILE 62 H ILE 62 15.785 13.801 -24.599 446 HA ILE 62 HA ILE 62 13.523 14.984 -23.091 447 HB ILE 62 HB ILE 62 14.795 15.999 -25.650 448 1HG1 ILE 62 1HG1 ILE 62 16.484 15.821 -23.850 449 2HG1 ILE 62 2HG1 ILE 62 15.419 16.697 -22.758 450 1HG2 ILE 62 1HG2 ILE 62 13.840 18.179 -24.710 451 2HG2 ILE 62 2HG2 ILE 62 12.951 17.182 -23.559 452 3HG2 ILE 62 3HG2 ILE 62 12.655 17.008 -25.288 453 1HD1 ILE 62 1HD1 ILE 62 15.600 18.288 -25.080 454 2HD1 ILE 62 2HD1 ILE 62 17.243 17.740 -24.746 455 3HD1 ILE 62 3HD1 ILE 62 16.337 18.612 -23.510 456 H GLU 63 H GLU 63 14.175 13.048 -25.937 457 HA GLU 63 HA GLU 63 11.868 13.504 -27.500 458 1HB GLU 63 1HB GLU 63 12.389 10.695 -27.466 459 2HB GLU 63 2HB GLU 63 13.935 11.531 -27.344 460 1HG GLU 63 1HG GLU 63 13.277 12.932 -29.307 461 2HG GLU 63 2HG GLU 63 11.805 11.974 -29.454 462 H GLU 64 H GLU 64 12.288 11.475 -24.607 463 HA GLU 64 HA GLU 64 9.585 10.395 -24.701 464 1HB GLU 64 1HB GLU 64 10.636 10.297 -22.053 465 2HB GLU 64 2HB GLU 64 11.969 9.990 -23.161 466 1HG GLU 64 1HG GLU 64 9.302 8.597 -23.460 467 2HG GLU 64 2HG GLU 64 10.570 7.952 -22.418 468 H VAL 65 H VAL 65 11.063 13.277 -23.375 469 HA VAL 65 HA VAL 65 8.974 13.893 -21.468 470 HB VAL 65 HB VAL 65 11.066 15.658 -22.776 471 1HG1 VAL 65 1HG1 VAL 65 9.342 17.102 -21.942 472 2HG1 VAL 65 2HG1 VAL 65 10.618 17.102 -20.725 473 3HG1 VAL 65 3HG1 VAL 65 9.160 16.143 -20.473 474 1HG2 VAL 65 1HG2 VAL 65 11.876 13.724 -21.371 475 2HG2 VAL 65 2HG2 VAL 65 10.998 14.419 -20.009 476 3HG2 VAL 65 3HG2 VAL 65 12.332 15.307 -20.743 477 H ASP 66 H ASP 66 9.517 14.817 -24.885 478 HA ASP 66 HA ASP 66 7.365 16.731 -24.894 479 1HB ASP 66 1HB ASP 66 8.932 17.130 -26.603 480 2HB ASP 66 2HB ASP 66 7.541 16.481 -27.456 481 H GLU 67 H GLU 67 5.829 15.255 -23.799 482 HA GLU 67 HA GLU 67 4.676 12.983 -25.136 483 1HB GLU 67 1HB GLU 67 2.996 14.655 -23.310 484 2HB GLU 67 2HB GLU 67 4.444 13.905 -22.637 485 1HG GLU 67 1HG GLU 67 3.665 11.704 -23.523 486 2HG GLU 67 2HG GLU 67 2.183 12.483 -24.078 487 H ASP 68 H ASP 68 3.676 16.421 -24.983 488 HA ASP 68 HA ASP 68 1.605 15.882 -27.042 489 1HB ASP 68 1HB ASP 68 0.940 17.258 -25.112 490 2HB ASP 68 2HB ASP 68 0.853 18.193 -26.602 491 H GLY 69 H GLY 69 4.536 17.851 -26.583 492 1HA GLY 69 1HA GLY 69 4.434 18.953 -29.289 493 2HA GLY 69 2HA GLY 69 5.611 17.653 -29.119 494 H SER 70 H SER 70 6.354 18.286 -26.390 495 HA SER 70 HA SER 70 7.491 21.010 -26.553 496 1HB SER 70 1HB SER 70 8.290 20.076 -24.136 497 2HB SER 70 2HB SER 70 6.840 19.107 -24.367 498 HG SER 70 HG SER 70 5.616 20.838 -24.308 499 H GLY 71 H GLY 71 8.887 20.108 -28.343 500 1HA GLY 71 1HA GLY 71 11.082 19.618 -29.041 501 2HA GLY 71 2HA GLY 71 10.814 18.112 -28.168 502 H THR 72 H THR 72 10.912 21.285 -26.602 503 HA THR 72 HA THR 72 13.586 20.624 -25.446 504 HB THR 72 HB THR 72 13.518 23.071 -24.733 505 HG1 THR 72 HG1 THR 72 11.868 24.253 -25.307 506 1HG2 THR 72 1HG2 THR 72 14.070 23.900 -26.993 507 2HG2 THR 72 2HG2 THR 72 13.348 22.451 -27.693 508 3HG2 THR 72 3HG2 THR 72 14.794 22.321 -26.692 509 H ILE 73 H ILE 73 13.711 21.603 -23.032 510 HA ILE 73 HA ILE 73 11.349 20.446 -21.622 511 HB ILE 73 HB ILE 73 13.769 21.299 -20.107 512 1HG1 ILE 73 1HG1 ILE 73 14.605 20.109 -22.203 513 2HG1 ILE 73 2HG1 ILE 73 13.713 18.691 -21.658 514 1HG2 ILE 73 1HG2 ILE 73 13.195 19.382 -18.755 515 2HG2 ILE 73 2HG2 ILE 73 12.077 18.791 -19.984 516 3HG2 ILE 73 3HG2 ILE 73 11.709 20.269 -19.094 517 1HD1 ILE 73 1HD1 ILE 73 16.153 19.977 -20.482 518 2HD1 ILE 73 2HD1 ILE 73 15.797 18.267 -20.719 519 3HD1 ILE 73 3HD1 ILE 73 15.035 19.151 -19.397 520 H ASP 74 H ASP 74 9.990 21.755 -20.543 521 HA ASP 74 HA ASP 74 10.661 24.652 -20.358 522 1HB ASP 74 1HB ASP 74 8.242 25.017 -20.165 523 2HB ASP 74 2HB ASP 74 7.966 23.280 -20.160 524 H PHE 75 H PHE 75 9.586 25.748 -18.386 525 HA PHE 75 HA PHE 75 10.570 24.449 -15.986 526 1HB PHE 75 1HB PHE 75 8.802 26.907 -16.197 527 2HB PHE 75 2HB PHE 75 10.563 26.936 -16.281 528 HD1 PHE 75 HD1 PHE 75 8.154 27.828 -14.141 529 HD2 PHE 75 HD2 PHE 75 11.421 25.040 -14.254 530 HE1 PHE 75 HE1 PHE 75 8.271 27.860 -11.664 531 HE2 PHE 75 HE2 PHE 75 11.537 25.074 -11.779 532 HZ PHE 75 HZ PHE 75 9.961 26.484 -10.483 533 H GLU 76 H GLU 76 7.288 25.286 -17.154 534 HA GLU 76 HA GLU 76 5.940 23.944 -14.989 535 1HB GLU 76 1HB GLU 76 4.830 25.644 -16.436 536 2HB GLU 76 2HB GLU 76 3.921 24.137 -16.365 537 1HG GLU 76 1HG GLU 76 3.953 24.153 -18.625 538 2HG GLU 76 2HG GLU 76 5.669 23.771 -18.515 539 H GLU 77 H GLU 77 7.478 22.802 -17.887 540 HA GLU 77 HA GLU 77 6.081 20.244 -18.018 541 1HB GLU 77 1HB GLU 77 8.270 19.638 -19.336 542 2HB GLU 77 2HB GLU 77 8.602 21.367 -19.239 543 1HG GLU 77 1HG GLU 77 7.420 21.221 -21.253 544 2HG GLU 77 2HG GLU 77 6.134 21.609 -20.112 545 H PHE 78 H PHE 78 8.953 21.596 -16.549 546 HA PHE 78 HA PHE 78 10.023 19.177 -15.431 547 1HB PHE 78 1HB PHE 78 10.347 22.125 -14.819 548 2HB PHE 78 2HB PHE 78 11.454 21.085 -15.702 549 HD1 PHE 78 HD1 PHE 78 10.899 22.633 -12.621 550 HD2 PHE 78 HD2 PHE 78 12.198 18.892 -14.287 551 HE1 PHE 78 HE1 PHE 78 12.079 22.100 -10.509 552 HE2 PHE 78 HE2 PHE 78 13.376 18.362 -12.170 553 HZ PHE 78 HZ PHE 78 13.317 19.966 -10.282 554 H LEU 79 H LEU 79 7.691 21.618 -14.314 555 HA LEU 79 HA LEU 79 7.503 20.584 -11.605 556 1HB LEU 79 1HB LEU 79 5.559 22.020 -11.382 557 2HB LEU 79 2HB LEU 79 5.439 22.178 -13.131 558 HG LEU 79 HG LEU 79 7.723 23.240 -13.119 559 1HD1 LEU 79 1HD1 LEU 79 5.896 24.768 -11.279 560 2HD1 LEU 79 2HD1 LEU 79 5.440 24.467 -12.956 561 3HD1 LEU 79 3HD1 LEU 79 6.904 25.379 -12.591 562 1HD2 LEU 79 1HD2 LEU 79 8.870 22.728 -11.200 563 2HD2 LEU 79 2HD2 LEU 79 7.402 22.634 -10.228 564 3HD2 LEU 79 3HD2 LEU 79 8.102 24.205 -10.618 565 H VAL 80 H VAL 80 5.364 20.276 -14.477 566 HA VAL 80 HA VAL 80 3.493 18.483 -13.300 567 HB VAL 80 HB VAL 80 3.195 19.703 -15.483 568 1HG1 VAL 80 1HG1 VAL 80 5.132 19.401 -16.737 569 2HG1 VAL 80 2HG1 VAL 80 4.048 18.232 -17.485 570 3HG1 VAL 80 3HG1 VAL 80 5.259 17.693 -16.327 571 1HG2 VAL 80 1HG2 VAL 80 1.575 18.213 -16.071 572 2HG2 VAL 80 2HG2 VAL 80 2.111 17.339 -14.637 573 3HG2 VAL 80 3HG2 VAL 80 2.722 16.884 -16.226 574 H MET 81 H MET 81 6.689 17.942 -14.586 575 HA MET 81 HA MET 81 6.521 15.091 -14.940 576 1HB MET 81 1HB MET 81 9.141 15.451 -14.346 577 2HB MET 81 2HB MET 81 8.700 17.112 -14.742 578 1HG MET 81 1HG MET 81 8.041 16.533 -16.939 579 2HG MET 81 2HG MET 81 7.923 14.819 -16.544 580 1HE MET 81 1HE MET 81 11.412 17.334 -17.824 581 2HE MET 81 2HE MET 81 10.979 17.630 -16.142 582 3HE MET 81 3HE MET 81 9.756 17.790 -17.400 583 H MET 82 H MET 82 7.368 17.174 -12.174 584 HA MET 82 HA MET 82 7.968 14.911 -10.419 585 1HB MET 82 1HB MET 82 7.208 17.737 -9.612 586 2HB MET 82 2HB MET 82 8.840 17.277 -10.098 587 1HG MET 82 1HG MET 82 8.325 15.343 -8.260 588 2HG MET 82 2HG MET 82 7.359 16.662 -7.599 589 1HE MET 82 1HE MET 82 11.499 15.735 -6.997 590 2HE MET 82 2HE MET 82 11.354 15.900 -8.744 591 3HE MET 82 3HE MET 82 10.224 14.872 -7.867 592 H VAL 83 H VAL 83 5.168 16.897 -11.203 593 HA VAL 83 HA VAL 83 3.426 15.939 -9.126 594 HB VAL 83 HB VAL 83 3.107 17.443 -11.720 595 1HG1 VAL 83 1HG1 VAL 83 0.646 17.692 -10.938 596 2HG1 VAL 83 2HG1 VAL 83 0.932 16.218 -10.013 597 3HG1 VAL 83 3HG1 VAL 83 1.091 16.202 -11.770 598 1HG2 VAL 83 1HG2 VAL 83 2.128 18.252 -8.992 599 2HG2 VAL 83 2HG2 VAL 83 2.683 19.267 -10.323 600 3HG2 VAL 83 3HG2 VAL 83 3.848 18.354 -9.365 601 NH1 ARG 84 NH1 ARG 84 7.733 10.908 -15.536 602 NH2 ARG 84 NH2 ARG 84 6.366 9.853 -14.065 603 H ARG 84 H ARG 84 4.309 14.676 -12.302 604 HA ARG 84 HA ARG 84 2.019 12.824 -12.367 605 1HB ARG 84 1HB ARG 84 2.905 13.801 -14.468 606 2HB ARG 84 2HB ARG 84 2.959 12.041 -14.484 607 1HG ARG 84 1HG ARG 84 5.385 12.320 -13.598 608 2HG ARG 84 2HG ARG 84 5.233 13.990 -14.138 609 1HD ARG 84 1HD ARG 84 6.028 13.095 -16.097 610 2HD ARG 84 2HD ARG 84 4.318 12.743 -16.345 611 HE ARG 84 HE ARG 84 4.898 10.471 -16.247 612 1HH1 ARG 84 1HH1 ARG 84 7.163 9.495 -13.578 613 2HH1 ARG 84 2HH1 ARG 84 5.444 9.630 -13.746 614 1HH2 ARG 84 1HH2 ARG 84 7.856 11.489 -16.341 615 2HH2 ARG 84 2HH2 ARG 84 8.532 10.554 -15.050 616 H GLN 85 H GLN 85 4.797 12.820 -10.599 617 HA GLN 85 HA GLN 85 5.289 9.898 -10.868 618 1HB GLN 85 1HB GLN 85 7.225 10.389 -9.324 619 2HB GLN 85 2HB GLN 85 6.792 12.096 -9.412 620 1HG GLN 85 1HG GLN 85 7.838 12.306 -11.399 621 2HG GLN 85 2HG GLN 85 6.916 10.963 -12.073 622 1HE2 GLN 85 1HE2 GLN 85 9.992 11.892 -10.674 623 2HE2 GLN 85 2HE2 GLN 85 10.743 10.381 -10.839 624 H MET 86 H MET 86 4.065 12.367 -8.669 625 HA MET 86 HA MET 86 3.795 10.458 -6.438 626 1HB MET 86 1HB MET 86 2.339 12.626 -5.670 627 2HB MET 86 2HB MET 86 3.429 13.375 -6.837 628 1HG MET 86 1HG MET 86 5.303 12.943 -5.564 629 2HG MET 86 2HG MET 86 4.626 11.466 -4.879 630 1HE MET 86 1HE MET 86 5.853 14.710 -4.197 631 2HE MET 86 2HE MET 86 4.725 15.609 -3.188 632 3HE MET 86 3HE MET 86 4.387 15.401 -4.905 633 H LYS 87 H LYS 87 1.777 11.858 -8.982 634 HA LYS 87 HA LYS 87 -0.737 10.982 -7.827 635 1HB LYS 87 1HB LYS 87 -0.600 12.821 -9.493 636 2HB LYS 87 2HB LYS 87 -1.720 11.556 -9.986 637 1HG LYS 87 1HG LYS 87 1.061 11.146 -10.898 638 2HG LYS 87 2HG LYS 87 0.268 12.565 -11.579 639 1HD LYS 87 1HD LYS 87 -1.471 11.276 -12.533 640 2HD LYS 87 2HD LYS 87 -1.112 9.879 -11.517 641 1HE LYS 87 1HE LYS 87 -0.143 9.226 -13.531 642 2HE LYS 87 2HE LYS 87 1.232 9.989 -12.733 643 1HZ LYS 87 1HZ LYS 87 -0.532 11.145 -14.814 644 2HZ LYS 87 2HZ LYS 87 1.144 10.876 -14.894 645 3HZ LYS 87 3HZ LYS 87 0.524 12.092 -13.884 646 H GLU 88 H GLU 88 1.679 9.460 -9.854 647 HA GLU 88 HA GLU 88 -0.025 7.281 -10.749 648 1HB GLU 88 1HB GLU 88 2.972 7.088 -10.585 649 2HB GLU 88 2HB GLU 88 2.224 8.164 -11.764 650 1HG GLU 88 1HG GLU 88 1.347 5.287 -11.509 651 2HG GLU 88 2HG GLU 88 2.741 5.725 -12.496 652 H ASP 89 H ASP 89 2.114 7.819 -7.987 653 HA ASP 89 HA ASP 89 2.102 5.052 -7.111 654 1HB ASP 89 1HB ASP 89 2.639 7.408 -5.316 655 2HB ASP 89 2HB ASP 89 3.799 6.947 -6.559 656 H ALA 90 H ALA 90 0.010 7.842 -6.571 657 HA ALA 90 HA ALA 90 -1.318 7.069 -4.199 658 1HB ALA 90 1HB ALA 90 -1.623 9.235 -5.482 659 2HB ALA 90 2HB ALA 90 -3.117 8.508 -4.890 660 3HB ALA 90 3HB ALA 90 -2.668 8.344 -6.588 661 H LYS 91 H LYS 91 -1.839 5.994 -7.504 662 HA LYS 91 HA LYS 91 -4.196 4.398 -6.938 663 1HB LYS 91 1HB LYS 91 -3.316 3.316 -9.229 664 2HB LYS 91 2HB LYS 91 -2.372 4.805 -9.272 665 1HG LYS 91 1HG LYS 91 -4.710 5.902 -8.639 666 2HG LYS 91 2HG LYS 91 -5.346 4.431 -9.377 667 1HD LYS 91 1HD LYS 91 -3.228 6.037 -10.793 668 2HD LYS 91 2HD LYS 91 -4.918 6.531 -10.884 669 1HE LYS 91 1HE LYS 91 -5.155 5.033 -12.557 670 2HE LYS 91 2HE LYS 91 -4.971 3.767 -11.342 671 1HZ LYS 91 1HZ LYS 91 -2.604 3.779 -11.693 672 2HZ LYS 91 2HZ LYS 91 -2.728 5.065 -12.798 673 3HZ LYS 91 3HZ LYS 91 -3.387 3.546 -13.179 674 H GLY 92 H GLY 92 -3.335 3.256 -5.040 675 1HA GLY 92 1HA GLY 92 -1.439 1.051 -5.761 676 2HA GLY 92 2HA GLY 92 -2.848 0.779 -4.731 677 H LYS 93 H LYS 93 -1.600 3.865 -4.174 678 HA LYS 93 HA LYS 93 0.660 3.555 -2.570 679 1HB LYS 93 1HB LYS 93 -1.471 5.412 -1.614 680 2HB LYS 93 2HB LYS 93 -0.849 5.671 -3.240 681 1HG LYS 93 1HG LYS 93 1.420 5.700 -2.387 682 2HG LYS 93 2HG LYS 93 0.832 5.479 -0.739 683 1HD LYS 93 1HD LYS 93 -0.256 7.609 -0.754 684 2HD LYS 93 2HD LYS 93 -0.072 7.771 -2.500 685 1HE LYS 93 1HE LYS 93 2.440 7.402 -0.961 686 2HE LYS 93 2HE LYS 93 1.605 8.934 -0.708 687 1HZ LYS 93 1HZ LYS 93 1.491 9.093 -3.202 688 2HZ LYS 93 2HZ LYS 93 2.585 7.794 -3.260 689 3HZ LYS 93 3HZ LYS 93 3.038 9.258 -2.526 690 H SER 94 H SER 94 -2.766 3.184 -1.590 691 HA SER 94 HA SER 94 -2.163 2.671 1.193 692 1HB SER 94 1HB SER 94 -4.536 1.589 1.080 693 2HB SER 94 2HB SER 94 -4.577 2.242 -0.556 694 HG SER 94 HG SER 94 -4.535 4.247 0.190 695 H GLU 95 H GLU 95 -2.742 0.559 -1.624 696 HA GLU 95 HA GLU 95 -2.534 -1.915 -0.137 697 1HB GLU 95 1HB GLU 95 -2.060 -2.793 -2.573 698 2HB GLU 95 2HB GLU 95 -2.526 -1.160 -3.042 699 1HG GLU 95 1HG GLU 95 -4.245 -2.772 -1.158 700 2HG GLU 95 2HG GLU 95 -4.384 -2.980 -2.903 701 H GLU 96 H GLU 96 -0.130 0.345 -0.914 702 HA GLU 96 HA GLU 96 2.063 -1.242 -1.744 703 1HB GLU 96 1HB GLU 96 3.452 0.539 -0.534 704 2HB GLU 96 2HB GLU 96 1.917 1.272 -0.071 705 1HG GLU 96 1HG GLU 96 1.293 1.573 -2.388 706 2HG GLU 96 2HG GLU 96 2.681 0.637 -2.938 707 H GLU 97 H GLU 97 0.635 -0.877 1.474 708 HA GLU 97 HA GLU 97 2.775 -1.877 3.044 709 1HB GLU 97 1HB GLU 97 0.112 -2.814 3.883 710 2HB GLU 97 2HB GLU 97 0.183 -1.084 3.548 711 1HG GLU 97 1HG GLU 97 2.337 -2.381 5.202 712 2HG GLU 97 2HG GLU 97 0.797 -1.955 5.947 713 H LEU 98 H LEU 98 -0.013 -3.755 1.749 714 HA LEU 98 HA LEU 98 1.206 -6.297 2.411 715 1HB LEU 98 1HB LEU 98 -0.595 -7.097 0.656 716 2HB LEU 98 2HB LEU 98 -1.184 -5.444 0.804 717 HG LEU 98 HG LEU 98 -0.595 -7.047 3.283 718 1HD1 LEU 98 1HD1 LEU 98 -2.385 -4.735 2.516 719 2HD1 LEU 98 2HD1 LEU 98 -1.093 -4.765 3.716 720 3HD1 LEU 98 3HD1 LEU 98 -2.605 -5.617 4.027 721 1HD2 LEU 98 1HD2 LEU 98 -2.890 -7.897 3.276 722 2HD2 LEU 98 2HD2 LEU 98 -2.058 -8.448 1.823 723 3HD2 LEU 98 3HD2 LEU 98 -3.201 -7.110 1.729 724 H ALA 99 H ALA 99 1.238 -4.218 -0.449 725 HA ALA 99 HA ALA 99 2.283 -6.121 -2.318 726 1HB ALA 99 1HB ALA 99 2.791 -4.250 -3.706 727 2HB ALA 99 2HB ALA 99 2.924 -3.165 -2.322 728 3HB ALA 99 3HB ALA 99 1.346 -3.785 -2.808 729 H ASN 100 H ASN 100 3.845 -4.081 0.120 730 HA ASN 100 HA ASN 100 6.555 -4.501 -0.754 731 1HB ASN 100 1HB ASN 100 7.001 -3.999 1.783 732 2HB ASN 100 2HB ASN 100 5.274 -3.647 1.837 733 1HD2 ASN 100 1HD2 ASN 100 7.651 -1.756 2.047 734 2HD2 ASN 100 2HD2 ASN 100 7.397 -0.600 0.830 735 H CYS 101 H CYS 101 4.635 -6.064 1.853 736 HA CYS 101 HA CYS 101 6.587 -8.075 2.467 737 1HB CYS 101 1HB CYS 101 4.559 -9.330 3.391 738 2HB CYS 101 2HB CYS 101 3.582 -7.970 2.836 739 HG CYS 101 HG CYS 101 5.933 -7.099 4.591 740 H PHE 102 H PHE 102 3.908 -7.943 0.142 741 HA PHE 102 HA PHE 102 3.907 -10.634 -0.741 742 1HB PHE 102 1HB PHE 102 3.452 -8.127 -2.396 743 2HB PHE 102 2HB PHE 102 2.228 -8.918 -1.408 744 HD1 PHE 102 HD1 PHE 102 1.776 -11.442 -1.901 745 HD2 PHE 102 HD2 PHE 102 3.757 -8.782 -4.629 746 HE1 PHE 102 HE1 PHE 102 1.241 -12.967 -3.777 747 HE2 PHE 102 HE2 PHE 102 3.225 -10.311 -6.507 748 HZ PHE 102 HZ PHE 102 1.961 -12.407 -6.084 749 NH1 ARG 103 NH1 ARG 103 9.010 -6.507 -8.224 750 NH2 ARG 103 NH2 ARG 103 8.691 -4.284 -7.912 751 H ARG 103 H ARG 103 5.744 -7.844 -2.070 752 HA ARG 103 HA ARG 103 7.252 -9.407 -3.956 753 1HB ARG 103 1HB ARG 103 8.192 -6.828 -2.681 754 2HB ARG 103 2HB ARG 103 6.938 -6.862 -3.922 755 1HG ARG 103 1HG ARG 103 8.541 -8.095 -5.414 756 2HG ARG 103 2HG ARG 103 9.788 -7.874 -4.186 757 1HD ARG 103 1HD ARG 103 10.180 -6.027 -5.551 758 2HD ARG 103 2HD ARG 103 9.072 -5.335 -4.366 759 HE ARG 103 HE ARG 103 7.245 -5.706 -6.056 760 1HH1 ARG 103 1HH1 ARG 103 9.339 -6.332 -9.153 761 2HH1 ARG 103 2HH1 ARG 103 8.966 -7.445 -7.880 762 1HH2 ARG 103 1HH2 ARG 103 8.404 -3.523 -7.330 763 2HH2 ARG 103 2HH2 ARG 103 9.020 -4.105 -8.840 764 H ILE 104 H ILE 104 7.876 -8.479 -0.576 765 HA ILE 104 HA ILE 104 10.586 -9.357 -0.422 766 HB ILE 104 HB ILE 104 8.394 -9.225 1.672 767 1HG1 ILE 104 1HG1 ILE 104 9.417 -7.138 0.505 768 2HG1 ILE 104 2HG1 ILE 104 10.865 -7.507 1.441 769 1HG2 ILE 104 1HG2 ILE 104 11.316 -9.970 1.923 770 2HG2 ILE 104 2HG2 ILE 104 9.912 -10.836 2.548 771 3HG2 ILE 104 3HG2 ILE 104 10.402 -9.308 3.279 772 1HD1 ILE 104 1HD1 ILE 104 8.092 -6.899 2.502 773 2HD1 ILE 104 2HD1 ILE 104 9.559 -5.949 2.735 774 3HD1 ILE 104 3HD1 ILE 104 9.398 -7.525 3.509 775 H PHE 105 H PHE 105 7.550 -11.145 -0.396 776 HA PHE 105 HA PHE 105 8.690 -13.627 0.587 777 1HB PHE 105 1HB PHE 105 6.525 -14.573 -0.509 778 2HB PHE 105 2HB PHE 105 6.097 -12.880 -0.751 779 HD1 PHE 105 HD1 PHE 105 7.668 -14.912 2.001 780 HD2 PHE 105 HD2 PHE 105 4.690 -12.023 0.886 781 HE1 PHE 105 HE1 PHE 105 6.930 -14.759 4.362 782 HE2 PHE 105 HE2 PHE 105 3.954 -11.871 3.247 783 HZ PHE 105 HZ PHE 105 5.074 -13.238 4.986 784 H ASP 106 H ASP 106 7.972 -12.344 -2.701 785 HA ASP 106 HA ASP 106 9.052 -14.809 -3.900 786 1HB ASP 106 1HB ASP 106 7.361 -13.954 -5.273 787 2HB ASP 106 2HB ASP 106 8.822 -13.403 -6.083 788 H LYS 107 H LYS 107 11.205 -15.000 -3.441 789 HA LYS 107 HA LYS 107 13.071 -12.784 -3.512 790 1HB LYS 107 1HB LYS 107 14.809 -14.504 -3.276 791 2HB LYS 107 2HB LYS 107 13.631 -15.764 -3.642 792 1HG LYS 107 1HG LYS 107 12.322 -15.100 -1.644 793 2HG LYS 107 2HG LYS 107 13.521 -13.859 -1.278 794 1HD LYS 107 1HD LYS 107 15.071 -15.391 -0.542 795 2HD LYS 107 2HD LYS 107 14.538 -16.632 -1.675 796 1HE LYS 107 1HE LYS 107 12.534 -17.038 -0.317 797 2HE LYS 107 2HE LYS 107 13.001 -15.747 0.789 798 1HZ LYS 107 1HZ LYS 107 13.626 -17.919 1.642 799 2HZ LYS 107 2HZ LYS 107 15.003 -16.975 1.335 800 3HZ LYS 107 3HZ LYS 107 14.564 -18.219 0.262 801 H ASN 108 H ASN 108 11.660 -14.719 -5.993 802 HA ASN 108 HA ASN 108 13.893 -14.376 -7.881 803 1HB ASN 108 1HB ASN 108 11.221 -15.207 -8.878 804 2HB ASN 108 2HB ASN 108 11.959 -16.278 -7.688 805 1HD2 ASN 108 1HD2 ASN 108 12.867 -17.969 -8.910 806 2HD2 ASN 108 2HD2 ASN 108 13.876 -17.746 -10.257 807 H ALA 109 H ALA 109 11.026 -12.655 -6.929 808 HA ALA 109 HA ALA 109 10.107 -10.646 -7.681 809 1HB ALA 109 1HB ALA 109 12.643 -10.109 -7.698 810 2HB ALA 109 2HB ALA 109 11.573 -9.064 -8.633 811 3HB ALA 109 3HB ALA 109 12.528 -10.302 -9.448 812 H ASP 110 H ASP 110 9.047 -12.796 -8.896 813 HA ASP 110 HA ASP 110 9.072 -12.243 -11.829 814 1HB ASP 110 1HB ASP 110 7.565 -14.558 -10.718 815 2HB ASP 110 2HB ASP 110 9.323 -14.627 -10.597 816 H GLY 111 H GLY 111 6.929 -12.441 -8.997 817 1HA GLY 111 1HA GLY 111 4.627 -11.600 -10.679 818 2HA GLY 111 2HA GLY 111 5.120 -10.547 -9.357 819 H PHE 112 H PHE 112 5.385 -14.037 -9.007 820 HA PHE 112 HA PHE 112 3.138 -13.927 -7.034 821 1HB PHE 112 1HB PHE 112 2.271 -16.008 -7.746 822 2HB PHE 112 2HB PHE 112 3.724 -16.400 -8.654 823 HD1 PHE 112 HD1 PHE 112 0.458 -14.890 -8.772 824 HD2 PHE 112 HD2 PHE 112 4.264 -15.037 -10.755 825 HE1 PHE 112 HE1 PHE 112 -0.573 -13.948 -10.820 826 HE2 PHE 112 HE2 PHE 112 3.234 -14.089 -12.801 827 HZ PHE 112 HZ PHE 112 0.816 -13.545 -12.834 828 H ILE 113 H ILE 113 3.348 -15.465 -5.280 829 HA ILE 113 HA ILE 113 6.184 -16.077 -4.636 830 HB ILE 113 HB ILE 113 3.632 -16.041 -2.998 831 1HG1 ILE 113 1HG1 ILE 113 6.215 -14.459 -3.016 832 2HG1 ILE 113 2HG1 ILE 113 5.088 -14.416 -1.661 833 1HG2 ILE 113 1HG2 ILE 113 6.370 -17.121 -2.285 834 2HG2 ILE 113 2HG2 ILE 113 4.810 -17.926 -2.125 835 3HG2 ILE 113 3HG2 ILE 113 5.221 -16.583 -1.060 836 1HD1 ILE 113 1HD1 ILE 113 4.368 -12.606 -2.951 837 2HD1 ILE 113 2HD1 ILE 113 3.303 -13.900 -3.501 838 3HD1 ILE 113 3HD1 ILE 113 4.698 -13.435 -4.473 839 H ASP 114 H ASP 114 6.952 -18.131 -4.894 840 HA ASP 114 HA ASP 114 5.037 -20.269 -5.610 841 1HB ASP 114 1HB ASP 114 6.910 -21.508 -6.393 842 2HB ASP 114 2HB ASP 114 8.038 -20.562 -5.428 843 H ILE 115 H ILE 115 5.015 -22.308 -4.510 844 HA ILE 115 HA ILE 115 5.061 -22.155 -1.655 845 HB ILE 115 HB ILE 115 3.673 -23.756 -2.959 846 1HG1 ILE 115 1HG1 ILE 115 3.907 -24.290 -0.664 847 2HG1 ILE 115 2HG1 ILE 115 5.583 -24.796 -0.862 848 1HG2 ILE 115 1HG2 ILE 115 6.187 -25.390 -3.331 849 2HG2 ILE 115 2HG2 ILE 115 5.591 -24.293 -4.577 850 3HG2 ILE 115 3HG2 ILE 115 4.600 -25.653 -4.052 851 1HD1 ILE 115 1HD1 ILE 115 3.291 -26.217 -2.228 852 2HD1 ILE 115 2HD1 ILE 115 3.862 -26.672 -0.623 853 3HD1 ILE 115 3HD1 ILE 115 4.945 -26.787 -2.008 854 H GLU 116 H GLU 116 7.355 -23.468 -4.007 855 HA GLU 116 HA GLU 116 9.204 -24.646 -2.188 856 1HB GLU 116 1HB GLU 116 9.319 -25.061 -4.604 857 2HB GLU 116 2HB GLU 116 10.858 -24.428 -4.027 858 1HG GLU 116 1HG GLU 116 10.647 -22.489 -5.214 859 2HG GLU 116 2HG GLU 116 8.915 -22.374 -4.908 860 H GLU 117 H GLU 117 8.929 -21.295 -3.369 861 HA GLU 117 HA GLU 117 11.359 -20.342 -2.168 862 1HB GLU 117 1HB GLU 117 9.994 -18.088 -2.242 863 2HB GLU 117 2HB GLU 117 8.836 -19.045 -3.164 864 1HG GLU 117 1HG GLU 117 10.453 -17.906 -4.655 865 2HG GLU 117 2HG GLU 117 10.605 -19.659 -4.768 866 H LEU 118 H LEU 118 7.987 -20.500 -1.005 867 HA LEU 118 HA LEU 118 8.547 -19.206 1.524 868 1HB LEU 118 1HB LEU 118 6.290 -21.158 1.159 869 2HB LEU 118 2HB LEU 118 6.257 -19.610 0.312 870 HG LEU 118 HG LEU 118 6.887 -19.654 3.249 871 1HD1 LEU 118 1HD1 LEU 118 5.160 -17.695 1.751 872 2HD1 LEU 118 2HD1 LEU 118 6.914 -17.623 1.590 873 3HD1 LEU 118 3HD1 LEU 118 6.166 -17.424 3.174 874 1HD2 LEU 118 1HD2 LEU 118 4.047 -19.513 2.231 875 2HD2 LEU 118 2HD2 LEU 118 4.610 -19.755 3.884 876 3HD2 LEU 118 3HD2 LEU 118 4.773 -21.050 2.700 877 H GLY 119 H GLY 119 8.926 -22.491 0.369 878 1HA GLY 119 1HA GLY 119 9.807 -24.391 1.418 879 2HA GLY 119 2HA GLY 119 8.830 -23.929 2.809 880 H GLU 120 H GLU 120 11.675 -22.415 1.213 881 HA GLU 120 HA GLU 120 13.483 -22.998 3.383 882 1HB GLU 120 1HB GLU 120 14.758 -20.975 2.314 883 2HB GLU 120 2HB GLU 120 13.546 -21.120 1.038 884 1HG GLU 120 1HG GLU 120 14.147 -23.529 0.793 885 2HG GLU 120 2HG GLU 120 15.410 -23.313 2.006 886 H ILE 121 H ILE 121 11.372 -20.230 2.648 887 HA ILE 121 HA ILE 121 12.362 -18.431 4.621 888 HB ILE 121 HB ILE 121 9.551 -18.789 3.525 889 1HG1 ILE 121 1HG1 ILE 121 11.557 -18.140 2.011 890 2HG1 ILE 121 2HG1 ILE 121 11.541 -16.608 2.882 891 1HG2 ILE 121 1HG2 ILE 121 9.216 -16.439 4.340 892 2HG2 ILE 121 2HG2 ILE 121 10.758 -16.556 5.189 893 3HG2 ILE 121 3HG2 ILE 121 9.416 -17.605 5.648 894 1HD1 ILE 121 1HD1 ILE 121 9.909 -15.909 1.498 895 2HD1 ILE 121 2HD1 ILE 121 8.852 -17.137 2.193 896 3HD1 ILE 121 3HD1 ILE 121 9.803 -17.504 0.754 897 H LEU 122 H LEU 122 9.951 -21.051 4.842 898 HA LEU 122 HA LEU 122 9.283 -20.552 7.615 899 1HB LEU 122 1HB LEU 122 8.462 -23.004 7.456 900 2HB LEU 122 2HB LEU 122 8.908 -22.898 5.752 901 HG LEU 122 HG LEU 122 7.505 -20.692 5.781 902 1HD1 LEU 122 1HD1 LEU 122 5.630 -21.897 5.003 903 2HD1 LEU 122 2HD1 LEU 122 5.912 -23.231 6.122 904 3HD1 LEU 122 3HD1 LEU 122 6.976 -23.004 4.733 905 1HD2 LEU 122 1HD2 LEU 122 7.203 -20.567 8.209 906 2HD2 LEU 122 2HD2 LEU 122 6.439 -22.157 8.219 907 3HD2 LEU 122 3HD2 LEU 122 5.636 -20.797 7.433 908 NH1 ARG 123 NH1 ARG 123 12.643 -29.281 3.999 909 NH2 ARG 123 NH2 ARG 123 14.695 -28.403 3.588 910 H ARG 123 H ARG 123 11.498 -22.867 6.009 911 HA ARG 123 HA ARG 123 12.431 -24.036 8.484 912 1HB ARG 123 1HB ARG 123 14.353 -24.828 6.963 913 2HB ARG 123 2HB ARG 123 13.470 -24.045 5.651 914 1HG ARG 123 1HG ARG 123 11.679 -25.529 5.797 915 2HG ARG 123 2HG ARG 123 12.002 -25.914 7.487 916 1HD ARG 123 1HD ARG 123 12.886 -27.828 6.605 917 2HD ARG 123 2HD ARG 123 14.299 -26.810 6.332 918 HE ARG 123 HE ARG 123 12.741 -26.437 4.058 919 1HH1 ARG 123 1HH1 ARG 123 12.926 -30.144 3.581 920 2HH1 ARG 123 2HH1 ARG 123 11.718 -29.183 4.366 921 1HH2 ARG 123 1HH2 ARG 123 15.335 -27.635 3.640 922 2HH2 ARG 123 2HH2 ARG 123 14.982 -29.264 3.168 923 H ALA 124 H ALA 124 13.353 -21.164 6.689 924 HA ALA 124 HA ALA 124 15.999 -20.751 7.546 925 1HB ALA 124 1HB ALA 124 13.757 -18.786 7.049 926 2HB ALA 124 2HB ALA 124 15.057 -19.244 5.950 927 3HB ALA 124 3HB ALA 124 15.413 -18.280 7.383 928 H THR 125 H THR 125 13.040 -20.472 9.452 929 HA THR 125 HA THR 125 14.070 -18.834 11.560 930 HB THR 125 HB THR 125 11.663 -19.308 11.295 931 HG1 THR 125 HG1 THR 125 11.654 -18.848 13.320 932 1HG2 THR 125 1HG2 THR 125 10.808 -21.392 11.196 933 2HG2 THR 125 2HG2 THR 125 11.699 -21.905 12.628 934 3HG2 THR 125 3HG2 THR 125 12.470 -21.958 11.043 935 H GLY 126 H GLY 126 14.541 -22.239 10.843 936 1HA GLY 126 1HA GLY 126 16.661 -22.397 12.828 937 2HA GLY 126 2HA GLY 126 16.142 -23.700 11.762 938 H GLU 127 H GLU 127 13.268 -23.051 12.898 939 HA GLU 127 HA GLU 127 13.548 -24.082 15.646 940 1HB GLU 127 1HB GLU 127 10.982 -23.953 15.555 941 2HB GLU 127 2HB GLU 127 11.187 -23.185 13.981 942 1HG GLU 127 1HG GLU 127 12.261 -21.310 14.903 943 2HG GLU 127 2HG GLU 127 12.710 -22.168 16.374 944 H HIS 128 H HIS 128 10.849 -25.238 13.714 945 HA HIS 128 HA HIS 128 11.960 -27.730 12.861 946 1HB HIS 128 1HB HIS 128 10.259 -28.716 14.918 947 2HB HIS 128 2HB HIS 128 11.372 -27.579 15.678 948 HD1 HIS 128 HD1 HIS 128 13.448 -28.711 16.443 949 HD2 HIS 128 HD2 HIS 128 11.948 -30.477 12.976 950 HE1 HIS 128 HE1 HIS 128 15.032 -30.598 15.856 951 H VAL 129 H VAL 129 10.576 -26.870 11.108 952 HA VAL 129 HA VAL 129 7.653 -27.102 11.587 953 HB VAL 129 HB VAL 129 8.464 -25.119 10.367 954 1HG1 VAL 129 1HG1 VAL 129 9.386 -27.131 8.296 955 2HG1 VAL 129 2HG1 VAL 129 10.433 -26.111 9.281 956 3HG1 VAL 129 3HG1 VAL 129 9.374 -25.381 8.077 957 1HG2 VAL 129 1HG2 VAL 129 6.216 -26.195 9.890 958 2HG2 VAL 129 2HG2 VAL 129 6.962 -26.931 8.471 959 3HG2 VAL 129 3HG2 VAL 129 6.850 -25.176 8.597 960 H ILE 130 H ILE 130 6.349 -28.399 10.140 961 HA ILE 130 HA ILE 130 7.807 -30.826 9.189 962 HB ILE 130 HB ILE 130 5.237 -31.641 9.175 963 1HG1 ILE 130 1HG1 ILE 130 4.601 -29.305 10.091 964 2HG1 ILE 130 2HG1 ILE 130 5.309 -29.853 11.610 965 1HG2 ILE 130 1HG2 ILE 130 6.974 -31.514 11.658 966 2HG2 ILE 130 2HG2 ILE 130 7.165 -32.681 10.350 967 3HG2 ILE 130 3HG2 ILE 130 5.702 -32.692 11.335 968 1HD1 ILE 130 1HD1 ILE 130 3.761 -31.718 11.720 969 2HD1 ILE 130 2HD1 ILE 130 3.148 -31.360 10.106 970 3HD1 ILE 130 3HD1 ILE 130 2.824 -30.250 11.437 971 H GLU 131 H GLU 131 7.416 -31.618 7.098 972 HA GLU 131 HA GLU 131 6.688 -29.686 5.092 973 1HB GLU 131 1HB GLU 131 6.908 -31.565 3.518 974 2HB GLU 131 2HB GLU 131 6.923 -32.704 4.858 975 1HG GLU 131 1HG GLU 131 9.215 -32.351 4.231 976 2HG GLU 131 2HG GLU 131 8.965 -31.467 5.735 977 H GLU 132 H GLU 132 4.935 -32.246 6.778 978 HA GLU 132 HA GLU 132 2.622 -32.327 5.094 979 1HB GLU 132 1HB GLU 132 1.478 -33.071 7.290 980 2HB GLU 132 2HB GLU 132 3.080 -32.937 8.017 981 1HG GLU 132 1HG GLU 132 3.982 -34.567 6.480 982 2HG GLU 132 2HG GLU 132 2.499 -34.572 5.529 983 H ASP 133 H ASP 133 3.625 -30.123 7.680 984 HA ASP 133 HA ASP 133 1.028 -28.762 7.785 985 1HB ASP 133 1HB ASP 133 3.693 -27.760 8.826 986 2HB ASP 133 2HB ASP 133 2.685 -28.903 9.710 987 H ILE 134 H ILE 134 4.230 -28.133 6.344 988 HA ILE 134 HA ILE 134 3.567 -25.541 5.280 989 HB ILE 134 HB ILE 134 5.648 -27.556 4.361 990 1HG1 ILE 134 1HG1 ILE 134 5.636 -26.541 6.786 991 2HG1 ILE 134 2HG1 ILE 134 6.164 -25.067 5.977 992 1HG2 ILE 134 1HG2 ILE 134 5.291 -25.966 2.589 993 2HG2 ILE 134 2HG2 ILE 134 6.750 -25.458 3.441 994 3HG2 ILE 134 3HG2 ILE 134 5.224 -24.623 3.729 995 1HD1 ILE 134 1HD1 ILE 134 7.853 -26.820 4.817 996 2HD1 ILE 134 2HD1 ILE 134 7.600 -27.649 6.353 997 3HD1 ILE 134 3HD1 ILE 134 8.232 -26.002 6.333 998 H GLU 135 H GLU 135 3.594 -28.803 3.785 999 HA GLU 135 HA GLU 135 2.680 -27.947 1.210 1000 1HB GLU 135 1HB GLU 135 3.711 -30.186 1.830 1001 2HB GLU 135 2HB GLU 135 2.354 -30.255 0.722 1002 1HG GLU 135 1HG GLU 135 0.863 -30.925 2.514 1003 2HG GLU 135 2HG GLU 135 2.137 -30.686 3.710 1004 H ASP 136 H ASP 136 0.852 -29.313 3.943 1005 HA ASP 136 HA ASP 136 -1.734 -29.155 2.766 1006 1HB ASP 136 1HB ASP 136 -1.291 -28.718 5.714 1007 2HB ASP 136 2HB ASP 136 -0.993 -30.294 4.978 1008 H LEU 137 H LEU 137 0.163 -26.700 4.495 1009 HA LEU 137 HA LEU 137 -1.883 -24.757 4.864 1010 1HB LEU 137 1HB LEU 137 1.002 -24.142 4.169 1011 2HB LEU 137 2HB LEU 137 0.507 -24.701 5.765 1012 HG LEU 137 HG LEU 137 -0.712 -22.274 4.423 1013 1HD1 LEU 137 1HD1 LEU 137 -1.172 -21.787 6.922 1014 2HD1 LEU 137 2HD1 LEU 137 -0.783 -23.486 7.187 1015 3HD1 LEU 137 3HD1 LEU 137 -2.138 -23.044 6.151 1016 1HD2 LEU 137 1HD2 LEU 137 1.694 -21.883 4.742 1017 2HD2 LEU 137 2HD2 LEU 137 1.575 -22.434 6.413 1018 3HD2 LEU 137 3HD2 LEU 137 0.769 -20.946 5.916 1019 H MET 138 H MET 138 0.225 -25.436 2.073 1020 HA MET 138 HA MET 138 -0.760 -23.250 0.453 1021 1HB MET 138 1HB MET 138 0.171 -25.484 -1.132 1022 2HB MET 138 2HB MET 138 1.255 -25.223 0.235 1023 1HG MET 138 1HG MET 138 2.171 -23.654 -1.156 1024 2HG MET 138 2HG MET 138 0.851 -22.657 -0.549 1025 1HE MET 138 1HE MET 138 0.151 -21.329 -3.898 1026 2HE MET 138 2HE MET 138 1.542 -21.313 -2.816 1027 3HE MET 138 3HE MET 138 -0.083 -21.171 -2.152 1028 H LYS 139 H LYS 139 -1.837 -26.556 1.050 1029 HA LYS 139 HA LYS 139 -3.579 -26.839 -1.212 1030 1HB LYS 139 1HB LYS 139 -4.630 -28.643 -0.001 1031 2HB LYS 139 2HB LYS 139 -4.033 -28.029 1.537 1032 1HG LYS 139 1HG LYS 139 -2.664 -29.910 0.820 1033 2HG LYS 139 2HG LYS 139 -1.702 -28.442 0.765 1034 1HD LYS 139 1HD LYS 139 -3.108 -28.886 -1.749 1035 2HD LYS 139 2HD LYS 139 -2.092 -30.265 -1.333 1036 1HE LYS 139 1HE LYS 139 -0.216 -29.111 -1.825 1037 2HE LYS 139 2HE LYS 139 -0.709 -27.767 -0.799 1038 1HZ LYS 139 1HZ LYS 139 -1.589 -28.242 -3.595 1039 2HZ LYS 139 2HZ LYS 139 -0.492 -27.052 -3.078 1040 3HZ LYS 139 3HZ LYS 139 -2.122 -26.970 -2.609 1041 H ASP 140 H ASP 140 -3.895 -25.074 1.774 1042 HA ASP 140 HA ASP 140 -6.791 -24.603 1.263 1043 1HB ASP 140 1HB ASP 140 -5.208 -23.571 3.620 1044 2HB ASP 140 2HB ASP 140 -5.834 -25.219 3.584 1045 H SER 141 H SER 141 -3.683 -23.108 0.896 1046 HA SER 141 HA SER 141 -4.744 -20.368 0.832 1047 1HB SER 141 1HB SER 141 -2.001 -21.258 -0.061 1048 2HB SER 141 2HB SER 141 -2.411 -21.066 1.638 1049 HG SER 141 HG SER 141 -1.633 -19.121 0.994 1050 H ASP 142 H ASP 142 -4.433 -22.953 -1.463 1051 HA ASP 142 HA ASP 142 -4.075 -21.212 -3.780 1052 1HB ASP 142 1HB ASP 142 -3.269 -23.362 -4.221 1053 2HB ASP 142 2HB ASP 142 -4.836 -23.380 -5.004 1054 H LYS 143 H LYS 143 -5.845 -19.702 -3.377 1055 HA LYS 143 HA LYS 143 -8.602 -20.548 -3.290 1056 1HB LYS 143 1HB LYS 143 -8.953 -18.080 -4.092 1057 2HB LYS 143 2HB LYS 143 -7.215 -17.930 -3.829 1058 1HG LYS 143 1HG LYS 143 -8.044 -19.225 -1.537 1059 2HG LYS 143 2HG LYS 143 -9.403 -18.150 -1.868 1060 1HD LYS 143 1HD LYS 143 -6.573 -17.119 -1.981 1061 2HD LYS 143 2HD LYS 143 -7.417 -17.247 -0.438 1062 1HE LYS 143 1HE LYS 143 -8.845 -15.932 -2.718 1063 2HE LYS 143 2HE LYS 143 -7.560 -15.030 -1.915 1064 1HZ LYS 143 1HZ LYS 143 -9.758 -14.658 -0.918 1065 2HZ LYS 143 2HZ LYS 143 -8.654 -15.328 0.185 1066 3HZ LYS 143 3HZ LYS 143 -9.853 -16.303 -0.521 1067 H ASN 144 H ASN 144 -6.428 -19.604 -5.945 1068 HA ASN 144 HA ASN 144 -8.599 -20.126 -7.914 1069 1HB ASN 144 1HB ASN 144 -6.642 -19.351 -9.506 1070 2HB ASN 144 2HB ASN 144 -5.939 -18.731 -8.012 1071 1HD2 ASN 144 1HD2 ASN 144 -7.761 -17.698 -10.560 1072 2HD2 ASN 144 2HD2 ASN 144 -8.708 -16.519 -9.791 1073 H ASN 145 H ASN 145 -6.186 -21.860 -6.350 1074 HA ASN 145 HA ASN 145 -5.174 -23.912 -6.744 1075 1HB ASN 145 1HB ASN 145 -6.345 -25.438 -8.344 1076 2HB ASN 145 2HB ASN 145 -7.370 -24.089 -8.830 1077 1HD2 ASN 145 1HD2 ASN 145 -9.348 -24.134 -7.746 1078 2HD2 ASN 145 2HD2 ASN 145 -9.577 -24.680 -6.156 1079 H ASP 146 H ASP 146 -3.620 -22.044 -7.694 1080 HA ASP 146 HA ASP 146 -2.949 -22.778 -10.515 1081 1HB ASP 146 1HB ASP 146 -1.721 -20.376 -9.266 1082 2HB ASP 146 2HB ASP 146 -3.455 -20.291 -9.571 1083 H GLY 147 H GLY 147 -1.671 -22.400 -7.231 1084 1HA GLY 147 1HA GLY 147 0.871 -23.683 -8.152 1085 2HA GLY 147 2HA GLY 147 0.100 -24.079 -6.617 1086 NH1 ARG 148 NH1 ARG 148 3.054 -23.885 -10.095 1087 NH2 ARG 148 NH2 ARG 148 5.221 -23.229 -10.230 1088 H ARG 148 H ARG 148 0.415 -20.824 -8.009 1089 HA ARG 148 HA ARG 148 2.393 -20.140 -5.884 1090 1HB ARG 148 1HB ARG 148 2.691 -18.060 -7.355 1091 2HB ARG 148 2HB ARG 148 1.732 -18.908 -8.564 1092 1HG ARG 148 1HG ARG 148 4.074 -20.295 -7.297 1093 2HG ARG 148 2HG ARG 148 4.353 -19.120 -8.578 1094 1HD ARG 148 1HD ARG 148 3.674 -20.572 -10.161 1095 2HD ARG 148 2HD ARG 148 2.186 -20.918 -9.283 1096 HE ARG 148 HE ARG 148 4.000 -22.372 -7.860 1097 1HH1 ARG 148 1HH1 ARG 148 5.392 -23.928 -10.925 1098 2HH1 ARG 148 2HH1 ARG 148 5.963 -22.627 -9.935 1099 1HH2 ARG 148 1HH2 ARG 148 2.141 -23.784 -9.697 1100 2HH2 ARG 148 2HH2 ARG 148 3.220 -24.586 -10.789 1101 H ILE 149 H ILE 149 2.155 -17.794 -5.126 1102 HA ILE 149 HA ILE 149 -0.745 -17.202 -4.624 1103 HB ILE 149 HB ILE 149 1.692 -16.569 -2.918 1104 1HG1 ILE 149 1HG1 ILE 149 0.588 -18.980 -3.093 1105 2HG1 ILE 149 2HG1 ILE 149 -0.630 -18.260 -2.042 1106 1HG2 ILE 149 1HG2 ILE 149 0.320 -15.384 -1.466 1107 2HG2 ILE 149 2HG2 ILE 149 -1.139 -16.222 -1.990 1108 3HG2 ILE 149 3HG2 ILE 149 -0.430 -14.969 -3.007 1109 1HD1 ILE 149 1HD1 ILE 149 1.294 -17.496 -0.553 1110 2HD1 ILE 149 2HD1 ILE 149 2.342 -18.530 -1.525 1111 3HD1 ILE 149 3HD1 ILE 149 1.018 -19.238 -0.599 1112 H ASP 150 H ASP 150 -1.475 -15.240 -5.398 1113 HA ASP 150 HA ASP 150 0.592 -13.350 -6.413 1114 1HB ASP 150 1HB ASP 150 -2.294 -13.194 -7.154 1115 2HB ASP 150 2HB ASP 150 -1.261 -14.375 -7.931 1116 H PHE 151 H PHE 151 -0.380 -10.996 -6.464 1117 HA PHE 151 HA PHE 151 -0.687 -10.138 -3.741 1118 1HB PHE 151 1HB PHE 151 -1.301 -8.574 -6.268 1119 2HB PHE 151 2HB PHE 151 0.309 -8.748 -5.571 1120 HD1 PHE 151 HD1 PHE 151 0.260 -8.301 -2.850 1121 HD2 PHE 151 HD2 PHE 151 -2.379 -6.581 -5.772 1122 HE1 PHE 151 HE1 PHE 151 -0.205 -6.410 -1.319 1123 HE2 PHE 151 HE2 PHE 151 -2.843 -4.690 -4.238 1124 HZ PHE 151 HZ PHE 151 -1.756 -4.604 -2.012 1125 H ASP 152 H ASP 152 -3.016 -10.888 -6.288 1126 HA ASP 152 HA ASP 152 -5.319 -9.593 -5.269 1127 1HB ASP 152 1HB ASP 152 -6.601 -11.419 -6.416 1128 2HB ASP 152 2HB ASP 152 -5.079 -12.267 -6.688 1129 H GLU 153 H GLU 153 -4.456 -13.050 -4.731 1130 HA GLU 153 HA GLU 153 -6.319 -13.320 -2.539 1131 1HB GLU 153 1HB GLU 153 -5.508 -15.248 -3.909 1132 2HB GLU 153 2HB GLU 153 -5.315 -15.507 -2.178 1133 1HG GLU 153 1HG GLU 153 -2.970 -15.076 -2.274 1134 2HG GLU 153 2HG GLU 153 -3.086 -14.399 -3.898 1135 H PHE 154 H PHE 154 -2.967 -12.278 -2.756 1136 HA PHE 154 HA PHE 154 -2.130 -12.667 -0.071 1137 1HB PHE 154 1HB PHE 154 -1.407 -10.270 -1.777 1138 2HB PHE 154 2HB PHE 154 -0.714 -11.869 -2.035 1139 HD1 PHE 154 HD1 PHE 154 -0.655 -8.865 0.008 1140 HD2 PHE 154 HD2 PHE 154 0.589 -12.974 -0.175 1141 HE1 PHE 154 HE1 PHE 154 0.996 -8.449 1.811 1142 HE2 PHE 154 HE2 PHE 154 2.238 -12.554 1.627 1143 HZ PHE 154 HZ PHE 154 2.442 -10.292 2.620 1144 H LEU 155 H LEU 155 -4.169 -10.142 -1.500 1145 HA LEU 155 HA LEU 155 -4.150 -8.269 0.635 1146 1HB LEU 155 1HB LEU 155 -6.377 -7.568 -0.220 1147 2HB LEU 155 2HB LEU 155 -6.428 -9.013 -1.229 1148 HG LEU 155 HG LEU 155 -4.108 -8.146 -2.099 1149 1HD1 LEU 155 1HD1 LEU 155 -6.688 -6.735 -2.847 1150 2HD1 LEU 155 2HD1 LEU 155 -6.194 -8.322 -3.437 1151 3HD1 LEU 155 3HD1 LEU 155 -5.258 -6.890 -3.867 1152 1HD2 LEU 155 1HD2 LEU 155 -5.371 -5.686 -0.861 1153 2HD2 LEU 155 2HD2 LEU 155 -4.150 -5.592 -2.130 1154 3HD2 LEU 155 3HD2 LEU 155 -3.752 -6.325 -0.578 1155 H LYS 156 H LYS 156 -6.558 -10.844 0.010 1156 HA LYS 156 HA LYS 156 -7.781 -10.595 2.622 1157 1HB LYS 156 1HB LYS 156 -8.892 -12.760 2.009 1158 2HB LYS 156 2HB LYS 156 -7.890 -12.818 0.560 1159 1HG LYS 156 1HG LYS 156 -9.736 -11.749 -0.324 1160 2HG LYS 156 2HG LYS 156 -8.862 -10.336 0.265 1161 1HD LYS 156 1HD LYS 156 -10.889 -9.921 1.271 1162 2HD LYS 156 2HD LYS 156 -10.194 -10.961 2.516 1163 1HE LYS 156 1HE LYS 156 -11.253 -12.921 1.218 1164 2HE LYS 156 2HE LYS 156 -12.179 -11.693 0.354 1165 1HZ LYS 156 1HZ LYS 156 -13.044 -10.894 2.450 1166 2HZ LYS 156 2HZ LYS 156 -12.120 -12.036 3.305 1167 3HZ LYS 156 3HZ LYS 156 -13.374 -12.549 2.283 1168 H MET 157 H MET 157 -5.025 -12.363 1.392 1169 HA MET 157 HA MET 157 -4.873 -14.410 3.392 1170 1HB MET 157 1HB MET 157 -2.292 -13.374 2.413 1171 2HB MET 157 2HB MET 157 -3.434 -13.772 1.130 1172 1HG MET 157 1HG MET 157 -3.234 -15.993 1.505 1173 2HG MET 157 2HG MET 157 -3.375 -15.789 3.250 1174 1HE MET 157 1HE MET 157 -0.503 -14.150 4.272 1175 2HE MET 157 2HE MET 157 -0.306 -15.821 4.794 1176 3HE MET 157 3HE MET 157 -1.919 -15.118 4.706 1177 H MET 158 H MET 158 -3.537 -11.094 3.271 1178 HA MET 158 HA MET 158 -2.838 -11.396 6.166 1179 1HB MET 158 1HB MET 158 -1.549 -9.270 4.508 1180 2HB MET 158 2HB MET 158 -1.022 -10.933 4.253 1181 1HG MET 158 1HG MET 158 -1.280 -10.007 7.077 1182 2HG MET 158 2HG MET 158 0.067 -9.361 6.141 1183 1HE MET 158 1HE MET 158 2.216 -11.888 7.835 1184 2HE MET 158 2HE MET 158 1.002 -10.828 8.547 1185 3HE MET 158 3HE MET 158 1.991 -10.249 7.210 1186 H GLU 159 H GLU 159 -5.428 -10.516 4.950 1187 HA GLU 159 HA GLU 159 -5.641 -7.643 5.235 1188 1HB GLU 159 1HB GLU 159 -8.006 -9.434 5.661 1189 2HB GLU 159 2HB GLU 159 -7.246 -9.416 4.071 1190 1HG GLU 159 1HG GLU 159 -8.575 -7.612 3.686 1191 2HG GLU 159 2HG GLU 159 -7.393 -6.731 4.654 1192 H GLY 160 H GLY 160 -6.383 -10.398 7.381 1193 1HA GLY 160 1HA GLY 160 -7.176 -10.311 9.639 1194 2HA GLY 160 2HA GLY 160 -7.031 -8.554 9.602 1195 H VAL 161 H VAL 161 -4.901 -7.626 9.873 1196 HA VAL 161 HA VAL 161 -2.858 -9.514 10.972 1197 HB VAL 161 HB VAL 161 -2.186 -8.229 8.942 1198 1HG1 VAL 161 1HG1 VAL 161 -3.477 -6.201 9.252 1199 2HG1 VAL 161 2HG1 VAL 161 -1.769 -5.772 9.227 1200 3HG1 VAL 161 3HG1 VAL 161 -2.635 -5.844 10.760 1201 1HG2 VAL 161 1HG2 VAL 161 -0.512 -6.997 11.062 1202 2HG2 VAL 161 2HG2 VAL 161 -0.038 -8.008 9.697 1203 3HG2 VAL 161 3HG2 VAL 161 -0.700 -8.748 11.155 1204 H GLN 162 H GLN 162 -5.018 -8.653 12.615 1205 HA GLN 162 HA GLN 162 -3.946 -6.481 14.319 1206 1HB GLN 162 1HB GLN 162 -6.093 -7.117 15.673 1207 2HB GLN 162 2HB GLN 162 -6.527 -8.033 14.230 1208 1HG GLN 162 1HG GLN 162 -7.480 -5.982 13.714 1209 2HG GLN 162 2HG GLN 162 -5.881 -5.766 13.006 1210 1HE2 GLN 162 1HE2 GLN 162 -4.341 -4.374 14.178 1211 2HE2 GLN 162 2HE2 GLN 162 -4.872 -3.318 15.397 No H/Q in entry = 1211
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