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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 | cing | stage | position | program | type |
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646171 |
6k5w ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 1HT MET 1 -18.349 22.620 1.801 2 HA MET 1 HA MET 1 -16.864 21.169 0.132 3 HB2 MET 1 2HB MET 1 -16.144 23.325 2.101 4 HB3 MET 1 1HB MET 1 -14.925 22.662 1.023 5 HG2 MET 1 2HG MET 1 -16.317 23.312 -0.901 6 HG3 MET 1 1HG MET 1 -17.480 24.027 0.212 7 HE1 MET 1 1HE MET 1 -16.287 25.622 -2.176 8 HE2 MET 1 2HE MET 1 -15.787 27.153 -1.456 9 HE3 MET 1 3HE MET 1 -17.329 26.431 -1.002 10 H VAL 2 H VAL 2 -16.350 19.059 0.523 11 HA VAL 2 HA VAL 2 -15.067 18.340 3.025 12 HB VAL 2 HB VAL 2 -14.909 16.040 1.855 13 HG11 VAL 2 1HG1 VAL 2 -17.601 17.239 2.528 14 HG12 VAL 2 2HG1 VAL 2 -16.449 16.563 3.679 15 HG13 VAL 2 3HG1 VAL 2 -17.220 15.516 2.487 16 HG21 VAL 2 1HG2 VAL 2 -16.644 15.713 0.099 17 HG22 VAL 2 2HG2 VAL 2 -15.304 16.735 -0.418 18 HG23 VAL 2 3HG2 VAL 2 -16.846 17.465 0.027 19 H ASP 3 H ASP 3 -12.956 18.585 3.314 20 HA ASP 3 HA ASP 3 -11.218 18.720 0.958 21 HB2 ASP 3 2HB ASP 3 -11.187 20.491 2.821 22 HB3 ASP 3 1HB ASP 3 -10.377 19.270 3.802 23 H LEU 4 H LEU 4 -11.791 16.358 0.864 24 HA LEU 4 HA LEU 4 -10.582 14.551 2.698 25 HB2 LEU 4 2HB LEU 4 -11.064 12.902 0.775 26 HB3 LEU 4 1HB LEU 4 -12.415 13.660 1.596 27 HG LEU 4 HG LEU 4 -12.060 15.425 -0.409 28 HD11 LEU 4 1HD1 LEU 4 -11.687 14.169 -2.484 29 HD12 LEU 4 2HD1 LEU 4 -11.267 12.744 -1.533 30 HD13 LEU 4 3HD1 LEU 4 -10.261 14.191 -1.447 31 HD21 LEU 4 1HD2 LEU 4 -14.173 14.412 0.189 32 HD22 LEU 4 2HD2 LEU 4 -13.665 12.873 -0.507 33 HD23 LEU 4 3HD2 LEU 4 -13.915 14.273 -1.550 34 H GLU 5 H GLU 5 -9.461 16.239 -0.094 35 HA GLU 5 HA GLU 5 -7.368 14.448 -0.789 36 HB2 GLU 5 2HB GLU 5 -6.541 16.874 -1.748 37 HB3 GLU 5 1HB GLU 5 -7.583 15.741 -2.596 38 HG2 GLU 5 2HG GLU 5 -9.553 16.914 -1.774 39 HG3 GLU 5 1HG GLU 5 -8.523 18.023 -0.867 40 H GLN 6 H GLN 6 -7.700 16.093 1.988 41 HA GLN 6 HA GLN 6 -4.822 16.692 2.219 42 HB2 GLN 6 2HB GLN 6 -6.578 18.519 2.652 43 HB3 GLN 6 1HB GLN 6 -6.949 17.643 4.130 44 HG2 GLN 6 2HG GLN 6 -4.363 17.829 4.514 45 HG3 GLN 6 1HG GLN 6 -4.513 19.180 3.393 46 HE21 GLN 6 1HE2 GLN 6 -7.181 19.904 4.251 47 HE22 GLN 6 2HE2 GLN 6 -6.997 20.637 5.812 48 H GLU 7 H GLU 7 -7.209 14.492 3.151 49 HA GLU 7 HA GLU 7 -5.973 13.819 5.701 50 HB2 GLU 7 2HB GLU 7 -7.919 11.888 4.791 51 HB3 GLU 7 1HB GLU 7 -7.944 12.915 6.217 52 HG2 GLU 7 2HG GLU 7 -8.509 14.685 4.227 53 HG3 GLU 7 1HG GLU 7 -9.296 13.212 3.659 54 H PHE 8 H PHE 8 -5.227 13.194 2.578 55 HA PHE 8 HA PHE 8 -4.096 10.565 3.200 56 HB2 PHE 8 2HB PHE 8 -4.582 11.293 0.353 57 HB3 PHE 8 1HB PHE 8 -4.590 9.706 1.106 58 HD1 PHE 8 1HD PHE 8 -6.707 9.858 3.080 59 HD2 PHE 8 2HD PHE 8 -6.481 11.597 -0.792 60 HE1 PHE 8 1HE PHE 8 -9.160 9.855 2.930 61 HE2 PHE 8 2HE PHE 8 -8.931 11.603 -0.947 62 HZ PHE 8 HZ PHE 8 -10.274 10.732 0.917 63 H ALA 9 H ALA 9 -2.330 11.840 3.927 64 HA ALA 9 HA ALA 9 -0.657 12.709 1.785 65 HB1 ALA 9 1HB ALA 9 -2.005 14.688 2.231 66 HB2 ALA 9 2HB ALA 9 -0.332 14.956 2.715 67 HB3 ALA 9 3HB ALA 9 -1.561 14.626 3.935 68 H LEU 10 H LEU 10 0.925 14.233 3.577 69 HA LEU 10 HA LEU 10 2.793 12.296 4.291 70 HB2 LEU 10 2HB LEU 10 2.431 15.169 5.019 71 HB3 LEU 10 1HB LEU 10 3.772 14.226 5.646 72 HG LEU 10 HG LEU 10 4.006 13.713 2.982 73 HD11 LEU 10 1HD1 LEU 10 2.163 15.236 2.433 74 HD12 LEU 10 2HD1 LEU 10 3.699 15.791 1.766 75 HD13 LEU 10 3HD1 LEU 10 3.037 16.564 3.208 76 HD21 LEU 10 1HD2 LEU 10 5.180 16.032 4.509 77 HD22 LEU 10 2HD2 LEU 10 5.815 15.382 2.996 78 HD23 LEU 10 3HD2 LEU 10 5.808 14.384 4.451 79 H GLY 11 H GLY 11 2.364 10.726 5.703 80 HA2 GLY 11 2HA GLY 11 2.152 9.736 7.759 81 HA3 GLY 11 1HA GLY 11 2.304 11.331 8.484 82 H GLY 12 H GLY 12 -0.118 10.836 6.110 83 HA2 GLY 12 2HA GLY 12 -2.172 11.451 8.033 84 HA3 GLY 12 1HA GLY 12 -2.393 11.203 6.305 85 H ARG 13 H ARG 13 -3.831 10.167 8.693 86 HA ARG 13 HA ARG 13 -3.324 7.307 8.467 87 HB2 ARG 13 2HB ARG 13 -4.892 7.038 10.296 88 HB3 ARG 13 1HB ARG 13 -3.723 8.281 10.720 89 HG2 ARG 13 2HG ARG 13 -5.473 9.955 9.920 90 HG3 ARG 13 1HG ARG 13 -6.605 8.598 9.957 91 HD2 ARG 13 2HD ARG 13 -6.841 9.627 12.049 92 HD3 ARG 13 1HD ARG 13 -5.815 8.226 12.349 93 HE ARG 13 HE ARG 13 -3.912 9.751 12.386 94 HH11 ARG 13 1HH1 ARG 13 -7.114 11.126 12.766 95 HH12 ARG 13 2HH1 ARG 13 -6.532 12.559 13.561 96 HH21 ARG 13 1HH2 ARG 13 -3.147 11.644 13.392 97 HH22 ARG 13 2HH2 ARG 13 -4.285 12.862 13.912 98 H CYS 14 H CYS 14 -4.425 6.104 7.097 99 HA CYS 14 HA CYS 14 -7.074 6.965 6.216 100 HB2 CYS 14 2HB CYS 14 -4.733 6.386 4.397 101 HB3 CYS 14 1HB CYS 14 -6.405 6.428 3.848 102 HG CYS 14 HG CYS 14 -5.744 9.186 5.502 103 H LEU 15 H LEU 15 -7.940 5.305 4.653 104 HA LEU 15 HA LEU 15 -7.369 2.611 5.688 105 HB2 LEU 15 2HB LEU 15 -9.922 3.790 4.566 106 HB3 LEU 15 1HB LEU 15 -9.706 2.097 4.963 107 HG LEU 15 HG LEU 15 -9.187 4.049 7.132 108 HD11 LEU 15 1HD1 LEU 15 -11.187 4.988 6.137 109 HD12 LEU 15 2HD1 LEU 15 -11.585 4.182 7.655 110 HD13 LEU 15 3HD1 LEU 15 -11.953 3.395 6.119 111 HD21 LEU 15 1HD2 LEU 15 -10.625 1.400 6.998 112 HD22 LEU 15 2HD2 LEU 15 -10.211 2.289 8.463 113 HD23 LEU 15 3HD2 LEU 15 -8.933 1.631 7.444 114 H ALA 16 H ALA 16 -7.265 0.957 4.089 115 HA ALA 16 HA ALA 16 -7.336 1.900 1.331 116 HB1 ALA 16 1HB ALA 16 -5.019 2.228 1.997 117 HB2 ALA 16 2HB ALA 16 -5.152 0.937 0.800 118 HB3 ALA 16 3HB ALA 16 -4.913 0.542 2.503 119 H PHE 17 H PHE 17 -7.668 0.284 -0.191 120 HA PHE 17 HA PHE 17 -8.994 -2.016 0.973 121 HB2 PHE 17 2HB PHE 17 -9.020 -0.702 -1.704 122 HB3 PHE 17 1HB PHE 17 -9.494 -2.392 -1.595 123 HD1 PHE 17 1HD PHE 17 -11.294 -2.977 0.134 124 HD2 PHE 17 2HD PHE 17 -10.564 0.968 -1.281 125 HE1 PHE 17 1HE PHE 17 -13.557 -2.318 0.825 126 HE2 PHE 17 2HE PHE 17 -12.830 1.637 -0.588 127 HZ PHE 17 HZ PHE 17 -14.331 -0.011 0.467 128 H HIS 18 H HIS 18 -7.641 -3.548 1.551 129 HA HIS 18 HA HIS 18 -5.585 -4.452 -0.322 130 HB2 HIS 18 2HB HIS 18 -5.149 -4.248 2.209 131 HB3 HIS 18 1HB HIS 18 -6.215 -5.639 2.396 132 HD2 HIS 18 2HD HIS 18 -3.012 -4.935 0.180 133 HE1 HIS 18 1HE HIS 18 -2.914 -8.872 1.723 134 HE2 HIS 18 2HE HIS 18 -1.780 -7.215 0.176 135 H GLY 19 H GLY 19 -6.650 -5.463 -1.924 136 HA2 GLY 19 2HA GLY 19 -7.775 -7.216 -2.935 137 HA3 GLY 19 1HA GLY 19 -8.032 -7.919 -1.334 138 HA PRO 20 HA PRO 20 -12.074 -6.071 -1.875 139 HB2 PRO 20 2HB PRO 20 -13.376 -7.870 -0.313 140 HB3 PRO 20 1HB PRO 20 -12.897 -8.195 -1.979 141 HG2 PRO 20 2HG PRO 20 -11.870 -9.374 0.465 142 HG3 PRO 20 1HG PRO 20 -11.529 -9.828 -1.214 143 HD2 PRO 20 2HD PRO 20 -9.945 -8.154 0.626 144 HD3 PRO 20 1HD PRO 20 -9.448 -8.964 -0.878 145 H LEU 21 H LEU 21 -10.165 -6.031 0.945 146 HA LEU 21 HA LEU 21 -12.372 -4.680 2.357 147 HB2 LEU 21 2HB LEU 21 -10.425 -6.683 3.375 148 HB3 LEU 21 1HB LEU 21 -11.073 -5.473 4.472 149 HG LEU 21 HG LEU 21 -12.507 -7.681 3.049 150 HD11 LEU 21 1HD1 LEU 21 -11.701 -8.121 5.289 151 HD12 LEU 21 2HD1 LEU 21 -13.464 -8.047 5.264 152 HD13 LEU 21 3HD1 LEU 21 -12.533 -6.682 5.887 153 HD21 LEU 21 1HD2 LEU 21 -13.781 -5.692 2.507 154 HD22 LEU 21 2HD2 LEU 21 -13.773 -5.198 4.200 155 HD23 LEU 21 3HD2 LEU 21 -14.638 -6.655 3.710 156 H MET 22 H MET 22 -11.869 -3.175 3.927 157 HA MET 22 HA MET 22 -9.639 -1.451 3.244 158 HB2 MET 22 2HB MET 22 -12.340 -1.106 4.239 159 HB3 MET 22 1HB MET 22 -11.200 -0.274 5.289 160 HG2 MET 22 2HG MET 22 -10.290 0.920 3.348 161 HG3 MET 22 1HG MET 22 -11.448 0.099 2.305 162 HE1 MET 22 1HE MET 22 -14.857 1.537 3.535 163 HE2 MET 22 2HE MET 22 -14.069 0.037 4.020 164 HE3 MET 22 3HE MET 22 -14.047 0.540 2.330 165 H TYR 23 H TYR 23 -7.979 -0.967 4.583 166 HA TYR 23 HA TYR 23 -8.036 -2.005 7.340 167 HB2 TYR 23 2HB TYR 23 -5.849 -2.359 5.282 168 HB3 TYR 23 1HB TYR 23 -5.543 -2.498 7.008 169 HD1 TYR 23 1HD TYR 23 -6.426 -4.371 8.279 170 HD2 TYR 23 2HD TYR 23 -7.118 -4.051 4.097 171 HE1 TYR 23 1HE TYR 23 -7.112 -6.732 8.222 172 HE2 TYR 23 2HE TYR 23 -7.810 -6.409 4.023 173 HH TYR 23 HH TYR 23 -7.400 -8.484 5.369 174 H GLU 24 H GLU 24 -6.468 -0.924 8.766 175 HA GLU 24 HA GLU 24 -6.377 1.913 8.195 176 HB2 GLU 24 2HB GLU 24 -7.050 1.066 10.445 177 HB3 GLU 24 1HB GLU 24 -5.430 0.418 10.651 178 HG2 GLU 24 2HG GLU 24 -4.563 2.756 10.371 179 HG3 GLU 24 1HG GLU 24 -6.235 3.305 10.444 180 H ALA 25 H ALA 25 -4.516 3.080 7.781 181 HA ALA 25 HA ALA 25 -1.936 1.819 8.115 182 HB1 ALA 25 1HB ALA 25 -2.718 0.937 5.958 183 HB2 ALA 25 2HB ALA 25 -1.277 1.941 5.804 184 HB3 ALA 25 3HB ALA 25 -2.853 2.589 5.353 185 H LYS 26 H LYS 26 -0.163 3.213 7.678 186 HA LYS 26 HA LYS 26 -0.844 6.072 7.936 187 HB2 LYS 26 2HB LYS 26 0.288 5.083 9.895 188 HB3 LYS 26 1HB LYS 26 1.613 4.564 8.865 189 HG2 LYS 26 2HG LYS 26 2.128 6.917 8.374 190 HG3 LYS 26 1HG LYS 26 0.823 7.408 9.457 191 HD2 LYS 26 2HD LYS 26 1.952 6.223 11.302 192 HD3 LYS 26 1HD LYS 26 3.280 5.828 10.210 193 HE2 LYS 26 2HE LYS 26 3.873 8.120 9.964 194 HE3 LYS 26 1HE LYS 26 2.404 8.650 10.779 195 HZ1 LYS 26 1HZ LYS 26 4.803 7.380 11.956 196 HZ2 LYS 26 2HZ LYS 26 3.314 7.367 12.771 197 HZ3 LYS 26 3HZ LYS 26 4.057 8.843 12.386 198 H ILE 27 H ILE 27 -0.410 7.250 6.197 199 HA ILE 27 HA ILE 27 1.121 6.205 4.014 200 HB ILE 27 HB ILE 27 0.083 9.018 4.385 201 HG12 ILE 27 2HG1 ILE 27 -1.271 7.029 2.629 202 HG13 ILE 27 1HG1 ILE 27 -1.512 6.871 4.363 203 HG21 ILE 27 1HG2 ILE 27 0.250 9.158 1.953 204 HG22 ILE 27 2HG2 ILE 27 0.885 7.516 1.894 205 HG23 ILE 27 3HG2 ILE 27 1.822 8.794 2.666 206 HD11 ILE 27 1HD1 ILE 27 -2.662 8.864 4.508 207 HD12 ILE 27 2HD1 ILE 27 -3.185 8.236 2.946 208 HD13 ILE 27 3HD1 ILE 27 -1.959 9.500 3.022 209 H LEU 28 H LEU 28 3.135 6.259 3.674 210 HA LEU 28 HA LEU 28 4.798 8.039 5.286 211 HB2 LEU 28 2HB LEU 28 4.966 5.476 5.347 212 HB3 LEU 28 1HB LEU 28 5.757 5.634 3.789 213 HG LEU 28 HG LEU 28 7.270 7.314 5.000 214 HD11 LEU 28 1HD1 LEU 28 5.981 7.475 7.045 215 HD12 LEU 28 2HD1 LEU 28 7.595 6.846 7.378 216 HD13 LEU 28 3HD1 LEU 28 6.214 5.749 7.342 217 HD21 LEU 28 1HD2 LEU 28 7.982 5.142 4.105 218 HD22 LEU 28 2HD2 LEU 28 7.475 4.369 5.605 219 HD23 LEU 28 3HD2 LEU 28 8.807 5.526 5.615 220 H LYS 29 H LYS 29 4.053 7.117 1.987 221 HA LYS 29 HA LYS 29 5.661 9.393 1.076 222 HB2 LYS 29 2HB LYS 29 5.709 6.782 -0.441 223 HB3 LYS 29 1HB LYS 29 6.712 8.198 -0.696 224 HG2 LYS 29 2HG LYS 29 7.531 7.658 1.743 225 HG3 LYS 29 1HG LYS 29 6.948 6.042 1.341 226 HD2 LYS 29 2HD LYS 29 8.721 7.464 -0.593 227 HD3 LYS 29 1HD LYS 29 9.437 6.755 0.856 228 HE2 LYS 29 2HE LYS 29 8.169 4.626 0.183 229 HE3 LYS 29 1HE LYS 29 7.984 5.402 -1.390 230 HZ1 LYS 29 1HZ LYS 29 10.680 5.563 -0.523 231 HZ2 LYS 29 2HZ LYS 29 10.056 4.844 -1.923 232 HZ3 LYS 29 3HZ LYS 29 10.161 3.950 -0.481 233 H ILE 30 H ILE 30 4.313 10.694 -0.046 234 HA ILE 30 HA ILE 30 1.864 9.621 -1.194 235 HB ILE 30 HB ILE 30 2.968 12.424 -0.923 236 HG12 ILE 30 2HG1 ILE 30 0.806 12.749 0.320 237 HG13 ILE 30 1HG1 ILE 30 0.520 11.020 0.157 238 HG21 ILE 30 1HG2 ILE 30 1.903 12.305 -3.103 239 HG22 ILE 30 2HG2 ILE 30 0.939 13.276 -1.986 240 HG23 ILE 30 3HG2 ILE 30 0.452 11.623 -2.368 241 HD11 ILE 30 1HD1 ILE 30 2.796 12.317 1.625 242 HD12 ILE 30 2HD1 ILE 30 2.556 10.580 1.427 243 HD13 ILE 30 3HD1 ILE 30 1.385 11.533 2.333 244 H TRP 31 H TRP 31 1.367 9.681 -3.468 245 HA TRP 31 HA TRP 31 3.819 9.908 -5.094 246 HB2 TRP 31 2HB TRP 31 3.168 7.618 -4.963 247 HB3 TRP 31 1HB TRP 31 1.494 8.017 -5.356 248 HD1 TRP 31 HD TRP 31 0.886 8.210 -7.874 249 HE1 TRP 31 1HE TRP 31 2.211 7.899 -10.069 250 HE3 TRP 31 3HE TRP 31 5.531 8.102 -5.905 251 HZ2 TRP 31 2HZ TRP 31 4.890 7.644 -10.823 252 HZ3 TRP 31 3HZ TRP 31 7.449 7.849 -7.421 253 HH2 TRP 31 HH TRP 31 7.124 7.629 -9.826 254 H ASP 32 H ASP 32 3.749 11.337 -6.698 255 HA ASP 32 HA ASP 32 1.112 12.272 -7.605 256 HB2 ASP 32 2HB ASP 32 2.935 13.846 -6.422 257 HB3 ASP 32 1HB ASP 32 3.500 13.965 -8.085 258 HA PRO 33 HA PRO 33 2.560 10.181 -11.326 259 HB2 PRO 33 2HB PRO 33 0.193 10.300 -12.619 260 HB3 PRO 33 1HB PRO 33 0.527 9.128 -11.337 261 HG2 PRO 33 2HG PRO 33 -0.977 11.716 -11.200 262 HG3 PRO 33 1HG PRO 33 -1.368 10.155 -10.461 263 HD2 PRO 33 2HD PRO 33 -0.220 12.195 -9.083 264 HD3 PRO 33 1HD PRO 33 0.057 10.491 -8.687 265 H SER 34 H SER 34 1.877 13.384 -10.848 266 HA SER 34 HA SER 34 1.670 14.185 -13.617 267 HB2 SER 34 2HB SER 34 1.671 16.471 -12.770 268 HB3 SER 34 1HB SER 34 0.559 15.483 -11.819 269 HG SER 34 HG SER 34 1.809 15.686 -10.104 270 H SER 35 H SER 35 4.139 13.712 -11.264 271 HA SER 35 HA SER 35 6.139 14.738 -13.165 272 HB2 SER 35 2HB SER 35 6.515 14.594 -10.171 273 HB3 SER 35 1HB SER 35 7.504 15.453 -11.346 274 HG SER 35 HG SER 35 4.829 16.168 -11.284 275 H LYS 36 H LYS 36 5.092 12.254 -11.014 276 HA LYS 36 HA LYS 36 5.453 10.045 -11.011 277 HB2 LYS 36 2HB LYS 36 6.177 10.361 -13.465 278 HB3 LYS 36 1HB LYS 36 7.815 10.228 -12.829 279 HG2 LYS 36 2HG LYS 36 7.434 8.077 -11.998 280 HG3 LYS 36 1HG LYS 36 5.687 8.237 -12.192 281 HD2 LYS 36 2HD LYS 36 7.738 8.032 -14.402 282 HD3 LYS 36 1HD LYS 36 6.552 6.810 -13.944 283 HE2 LYS 36 2HE LYS 36 4.755 8.455 -14.503 284 HE3 LYS 36 1HE LYS 36 6.000 9.521 -15.150 285 HZ1 LYS 36 1HZ LYS 36 5.131 8.333 -16.960 286 HZ2 LYS 36 2HZ LYS 36 5.194 6.851 -16.143 287 HZ3 LYS 36 3HZ LYS 36 6.630 7.612 -16.636 288 H MET 37 H MET 37 6.481 12.040 -9.491 289 HA MET 37 HA MET 37 8.756 10.820 -8.204 290 HB2 MET 37 2HB MET 37 7.649 13.648 -8.062 291 HB3 MET 37 1HB MET 37 9.018 13.054 -7.135 292 HG2 MET 37 2HG MET 37 10.407 12.990 -8.982 293 HG3 MET 37 1HG MET 37 9.060 12.959 -10.119 294 HE1 MET 37 1HE MET 37 11.229 16.352 -10.543 295 HE2 MET 37 2HE MET 37 10.839 14.824 -11.332 296 HE3 MET 37 3HE MET 37 11.832 14.834 -9.876 297 H TYR 38 H TYR 38 8.373 11.492 -5.727 298 HA TYR 38 HA TYR 38 5.596 11.211 -4.999 299 HB2 TYR 38 2HB TYR 38 6.080 9.281 -3.516 300 HB3 TYR 38 1HB TYR 38 6.279 8.886 -5.220 301 HD1 TYR 38 1HD TYR 38 7.993 9.458 -2.048 302 HD2 TYR 38 2HD TYR 38 8.442 8.302 -6.114 303 HE1 TYR 38 1HE TYR 38 10.235 8.609 -1.541 304 HE2 TYR 38 2HE TYR 38 10.692 7.454 -5.622 305 HH TYR 38 HH TYR 38 11.940 6.598 -3.614 306 H THR 39 H THR 39 5.378 11.735 -2.640 307 HA THR 39 HA THR 39 7.791 13.132 -1.720 308 HB THR 39 HB THR 39 6.448 14.813 -0.690 309 HG1 THR 39 1HG THR 39 4.139 14.843 -1.096 310 HG21 THR 39 1HG2 THR 39 5.682 14.363 -3.565 311 HG22 THR 39 2HG2 THR 39 7.095 15.236 -2.969 312 HG23 THR 39 3HG2 THR 39 5.478 15.884 -2.696 313 H SER 40 H SER 40 8.659 12.029 -0.198 314 HA SER 40 HA SER 40 7.050 10.398 1.595 315 HB2 SER 40 2HB SER 40 9.122 9.523 0.419 316 HB3 SER 40 1HB SER 40 10.064 10.579 1.471 317 HG SER 40 HG SER 40 8.190 8.757 2.542 318 H ILE 41 H ILE 41 8.114 10.278 3.867 319 HA ILE 41 HA ILE 41 8.534 13.039 4.850 320 HB ILE 41 HB ILE 41 7.368 11.018 6.699 321 HG12 ILE 41 2HG1 ILE 41 5.350 12.502 5.151 322 HG13 ILE 41 1HG1 ILE 41 6.160 11.193 4.291 323 HG21 ILE 41 1HG2 ILE 41 6.147 12.988 7.536 324 HG22 ILE 41 2HG2 ILE 41 6.892 13.966 6.271 325 HG23 ILE 41 3HG2 ILE 41 7.892 13.228 7.522 326 HD11 ILE 41 1HD1 ILE 41 5.543 9.644 6.074 327 HD12 ILE 41 2HD1 ILE 41 4.131 10.404 5.338 328 HD13 ILE 41 3HD1 ILE 41 4.707 10.952 6.913 329 HA PRO 42 HA PRO 42 12.074 11.017 6.652 330 HB2 PRO 42 2HB PRO 42 13.399 13.234 7.372 331 HB3 PRO 42 1HB PRO 42 13.202 12.782 5.678 332 HG2 PRO 42 2HG PRO 42 11.887 14.925 7.223 333 HG3 PRO 42 1HG PRO 42 12.203 14.827 5.484 334 HD2 PRO 42 2HD PRO 42 9.767 14.250 6.872 335 HD3 PRO 42 1HD PRO 42 10.089 14.096 5.136 336 H ASN 43 H ASN 43 11.803 9.975 8.539 337 HA ASN 43 HA ASN 43 11.759 11.536 11.005 338 HB2 ASN 43 2HB ASN 43 9.372 10.859 10.345 339 HB3 ASN 43 1HB ASN 43 9.873 9.205 10.685 340 HD21 ASN 43 1HD2 ASN 43 7.885 10.931 12.001 341 HD22 ASN 43 2HD2 ASN 43 8.340 10.974 13.667 342 H ASP 44 H ASP 44 11.458 8.139 9.970 343 HA ASP 44 HA ASP 44 13.364 7.278 11.959 344 HB2 ASP 44 2HB ASP 44 11.532 5.979 10.030 345 HB3 ASP 44 1HB ASP 44 13.020 5.100 10.363 346 H LYS 45 H LYS 45 14.949 8.868 10.909 347 HA LYS 45 HA LYS 45 16.360 7.556 8.681 348 HB2 LYS 45 2HB LYS 45 17.464 10.013 8.686 349 HB3 LYS 45 1HB LYS 45 16.039 9.593 7.745 350 HG2 LYS 45 2HG LYS 45 15.486 11.610 8.758 351 HG3 LYS 45 1HG LYS 45 14.691 10.395 9.763 352 HD2 LYS 45 2HD LYS 45 15.737 11.211 11.537 353 HD3 LYS 45 1HD LYS 45 17.283 10.756 10.815 354 HE2 LYS 45 2HE LYS 45 17.553 12.880 9.819 355 HE3 LYS 45 1HE LYS 45 15.868 13.314 10.114 356 HZ1 LYS 45 1HZ LYS 45 17.658 14.291 11.648 357 HZ2 LYS 45 2HZ LYS 45 17.704 12.754 12.362 358 HZ3 LYS 45 3HZ LYS 45 16.263 13.644 12.363 359 HA PRO 46 HA PRO 46 19.821 6.914 11.342 360 HB2 PRO 46 2HB PRO 46 21.777 6.566 9.535 361 HB3 PRO 46 1HB PRO 46 20.447 5.409 9.696 362 HG2 PRO 46 2HG PRO 46 20.832 7.589 7.679 363 HG3 PRO 46 1HG PRO 46 20.246 5.931 7.436 364 HD2 PRO 46 2HD PRO 46 18.609 8.133 7.636 365 HD3 PRO 46 1HD PRO 46 18.102 6.477 8.027 366 H GLY 47 H GLY 47 19.229 9.801 10.149 367 HA2 GLY 47 2HA GLY 47 20.411 11.601 11.416 368 HA3 GLY 47 1HA GLY 47 21.893 10.871 10.825 369 H GLY 48 H GLY 48 22.512 11.157 8.695 370 HA2 GLY 48 2HA GLY 48 22.192 11.984 6.481 371 HA3 GLY 48 1HA GLY 48 20.901 13.016 7.091 372 H SER 49 H SER 49 23.076 13.921 5.479 373 HA SER 49 HA SER 49 25.115 15.102 7.046 374 HB2 SER 49 2HB SER 49 24.882 16.674 4.773 375 HB3 SER 49 1HB SER 49 25.882 15.225 4.935 376 HG SER 49 HG SER 49 24.622 14.278 3.565 377 H SER 50 H SER 50 22.208 16.481 5.554 378 HA SER 50 HA SER 50 21.760 18.252 7.754 379 HB2 SER 50 2HB SER 50 21.873 20.314 6.177 380 HB3 SER 50 1HB SER 50 23.388 19.669 6.812 381 HG SER 50 HG SER 50 23.906 19.632 4.770 382 H GLN 51 H GLN 51 20.987 19.085 4.455 383 HA GLN 51 HA GLN 51 18.163 18.853 5.028 384 HB2 GLN 51 2HB GLN 51 18.004 19.668 2.586 385 HB3 GLN 51 1HB GLN 51 18.669 20.769 3.787 386 HG2 GLN 51 2HG GLN 51 20.955 19.984 3.059 387 HG3 GLN 51 1HG GLN 51 20.149 19.183 1.711 388 HE21 GLN 51 1HE2 GLN 51 19.289 20.408 0.056 389 HE22 GLN 51 2HE2 GLN 51 19.603 22.099 -0.117 390 H ALA 52 H ALA 52 20.550 16.841 3.843 391 HA ALA 52 HA ALA 52 19.650 15.368 1.768 392 HB1 ALA 52 1HB ALA 52 21.760 14.976 2.942 393 HB2 ALA 52 2HB ALA 52 20.867 13.477 2.684 394 HB3 ALA 52 3HB ALA 52 20.871 14.236 4.275 395 H THR 53 H THR 53 18.725 14.701 5.163 396 HA THR 53 HA THR 53 16.352 13.342 4.084 397 HB THR 53 HB THR 53 17.384 12.460 6.720 398 HG1 THR 53 1HG THR 53 18.789 12.236 4.320 399 HG21 THR 53 1HG2 THR 53 16.563 10.304 5.919 400 HG22 THR 53 2HG2 THR 53 16.272 10.992 4.320 401 HG23 THR 53 3HG2 THR 53 15.330 11.543 5.705 402 H LYS 54 H LYS 54 16.308 15.994 4.642 403 HA LYS 54 HA LYS 54 14.637 16.068 7.060 404 HB2 LYS 54 2HB LYS 54 17.061 17.488 6.642 405 HB3 LYS 54 1HB LYS 54 15.752 18.658 6.566 406 HG2 LYS 54 2HG LYS 54 15.581 16.751 8.792 407 HG3 LYS 54 1HG LYS 54 16.960 17.852 8.847 408 HD2 LYS 54 2HD LYS 54 15.424 19.147 9.912 409 HD3 LYS 54 1HD LYS 54 15.083 19.627 8.250 410 HE2 LYS 54 2HE LYS 54 13.258 18.001 8.151 411 HE3 LYS 54 1HE LYS 54 13.604 17.509 9.811 412 HZ1 LYS 54 1HZ LYS 54 11.891 19.017 10.061 413 HZ2 LYS 54 2HZ LYS 54 12.452 20.039 8.828 414 HZ3 LYS 54 3HZ LYS 54 13.256 19.994 10.320 415 H GLU 55 H GLU 55 15.324 17.275 3.846 416 HA GLU 55 HA GLU 55 12.596 18.374 3.725 417 HB2 GLU 55 2HB GLU 55 15.178 19.412 2.678 418 HB3 GLU 55 1HB GLU 55 13.753 19.652 1.675 419 HG2 GLU 55 2HG GLU 55 12.756 20.513 3.983 420 HG3 GLU 55 1HG GLU 55 14.460 20.836 4.298 421 H ILE 56 H ILE 56 11.529 16.669 2.921 422 HA ILE 56 HA ILE 56 12.599 15.116 0.740 423 HB ILE 56 HB ILE 56 9.871 14.943 2.001 424 HG12 ILE 56 2HG1 ILE 56 11.715 14.464 3.582 425 HG13 ILE 56 1HG1 ILE 56 10.762 13.030 3.219 426 HG21 ILE 56 1HG2 ILE 56 11.345 13.089 0.136 427 HG22 ILE 56 2HG2 ILE 56 9.917 14.049 -0.250 428 HG23 ILE 56 3HG2 ILE 56 9.806 12.736 0.923 429 HD11 ILE 56 1HD1 ILE 56 12.495 12.311 1.632 430 HD12 ILE 56 2HD1 ILE 56 13.101 12.478 3.280 431 HD13 ILE 56 3HD1 ILE 56 13.457 13.719 2.080 432 H LYS 57 H LYS 57 12.778 16.409 -0.964 433 HA LYS 57 HA LYS 57 10.520 17.887 -1.994 434 HB2 LYS 57 2HB LYS 57 13.364 17.440 -2.836 435 HB3 LYS 57 1HB LYS 57 12.203 17.940 -4.059 436 HG2 LYS 57 2HG LYS 57 13.256 19.901 -3.262 437 HG3 LYS 57 1HG LYS 57 11.628 19.886 -2.582 438 HD2 LYS 57 2HD LYS 57 13.266 18.511 -0.755 439 HD3 LYS 57 1HD LYS 57 14.150 19.963 -1.227 440 HE2 LYS 57 2HE LYS 57 11.259 20.214 -0.559 441 HE3 LYS 57 1HE LYS 57 12.405 19.986 0.760 442 HZ1 LYS 57 1HZ LYS 57 12.005 22.286 -0.971 443 HZ2 LYS 57 2HZ LYS 57 13.620 21.920 -0.600 444 HZ3 LYS 57 3HZ LYS 57 12.509 22.213 0.649 445 HA PRO 58 HA PRO 58 8.657 14.690 -4.437 446 HB2 PRO 58 2HB PRO 58 8.703 15.814 -6.996 447 HB3 PRO 58 1HB PRO 58 7.432 16.039 -5.792 448 HG2 PRO 58 2HG PRO 58 9.715 17.827 -6.487 449 HG3 PRO 58 1HG PRO 58 8.060 18.245 -6.007 450 HD2 PRO 58 2HD PRO 58 10.120 18.470 -4.303 451 HD3 PRO 58 1HD PRO 58 8.507 17.960 -3.758 452 H GLN 59 H GLN 59 10.030 12.999 -4.471 453 HA GLN 59 HA GLN 59 12.340 13.099 -6.274 454 HB2 GLN 59 2HB GLN 59 11.721 11.459 -3.841 455 HB3 GLN 59 1HB GLN 59 12.960 10.949 -4.977 456 HG2 GLN 59 2HG GLN 59 14.190 12.988 -4.619 457 HG3 GLN 59 1HG GLN 59 12.915 13.612 -3.577 458 HE21 GLN 59 1HE2 GLN 59 12.630 12.705 -1.526 459 HE22 GLN 59 2HE2 GLN 59 13.888 11.799 -0.751 460 H LYS 60 H LYS 60 12.537 11.814 -7.942 461 HA LYS 60 HA LYS 60 10.322 10.488 -9.055 462 HB2 LYS 60 2HB LYS 60 12.153 11.684 -10.310 463 HB3 LYS 60 1HB LYS 60 13.225 10.358 -9.893 464 HG2 LYS 60 2HG LYS 60 12.612 9.628 -11.930 465 HG3 LYS 60 1HG LYS 60 11.245 8.962 -11.030 466 HD2 LYS 60 2HD LYS 60 10.624 10.194 -13.126 467 HD3 LYS 60 1HD LYS 60 9.844 10.791 -11.656 468 HE2 LYS 60 2HE LYS 60 10.618 12.627 -13.081 469 HE3 LYS 60 1HE LYS 60 11.446 12.619 -11.527 470 HZ1 LYS 60 1HZ LYS 60 13.048 13.030 -13.211 471 HZ2 LYS 60 2HZ LYS 60 12.526 11.720 -14.141 472 HZ3 LYS 60 3HZ LYS 60 13.317 11.445 -12.669 473 H LEU 61 H LEU 61 10.042 8.327 -9.428 474 HA LEU 61 HA LEU 61 10.717 6.570 -7.396 475 HB2 LEU 61 2HB LEU 61 9.648 6.244 -10.142 476 HB3 LEU 61 1HB LEU 61 10.185 4.813 -9.284 477 HG LEU 61 HG LEU 61 8.003 6.725 -8.490 478 HD11 LEU 61 1HD1 LEU 61 7.429 5.029 -10.145 479 HD12 LEU 61 2HD1 LEU 61 6.621 4.737 -8.607 480 HD13 LEU 61 3HD1 LEU 61 8.018 3.767 -9.065 481 HD21 LEU 61 1HD2 LEU 61 7.729 5.386 -6.482 482 HD22 LEU 61 2HD2 LEU 61 9.301 6.177 -6.511 483 HD23 LEU 61 3HD2 LEU 61 9.174 4.458 -6.882 484 H GLY 62 H GLY 62 12.521 5.656 -6.857 485 HA2 GLY 62 2HA GLY 62 14.844 5.534 -8.440 486 HA3 GLY 62 1HA GLY 62 14.567 4.621 -6.962 487 H GLU 63 H GLU 63 15.847 2.963 -8.150 488 HA GLU 63 HA GLU 63 14.536 1.690 -10.399 489 HB2 GLU 63 2HB GLU 63 16.991 0.639 -9.026 490 HB3 GLU 63 1HB GLU 63 16.504 0.463 -10.709 491 HG2 GLU 63 2HG GLU 63 16.731 3.155 -10.524 492 HG3 GLU 63 1HG GLU 63 17.962 2.635 -9.376 493 H ASP 64 H ASP 64 14.276 1.392 -7.066 494 HA ASP 64 HA ASP 64 13.279 -1.380 -7.336 495 HB2 ASP 64 2HB ASP 64 15.371 -1.316 -6.001 496 HB3 ASP 64 1HB ASP 64 14.629 -0.154 -4.909 497 H GLU 65 H GLU 65 11.977 1.226 -7.643 498 HA GLU 65 HA GLU 65 10.016 1.011 -5.458 499 HB2 GLU 65 2HB GLU 65 11.267 3.393 -6.757 500 HB3 GLU 65 1HB GLU 65 9.755 3.527 -5.862 501 HG2 GLU 65 2HG GLU 65 10.957 2.534 -3.893 502 HG3 GLU 65 1HG GLU 65 12.452 2.705 -4.813 503 H SER 66 H SER 66 10.369 0.365 -8.564 504 HA SER 66 HA SER 66 8.536 1.614 -10.119 505 HB2 SER 66 2HB SER 66 8.584 -1.366 -10.219 506 HB3 SER 66 1HB SER 66 8.683 -0.192 -11.535 507 HG SER 66 HG SER 66 10.673 -1.416 -10.222 508 H ILE 67 H ILE 67 6.595 2.236 -9.589 509 HA ILE 67 HA ILE 67 4.830 0.711 -7.883 510 HB ILE 67 HB ILE 67 4.502 3.353 -9.301 511 HG12 ILE 67 2HG1 ILE 67 4.906 2.732 -6.379 512 HG13 ILE 67 1HG1 ILE 67 6.187 3.237 -7.477 513 HG21 ILE 67 1HG2 ILE 67 2.322 2.299 -8.953 514 HG22 ILE 67 2HG2 ILE 67 2.531 3.722 -7.930 515 HG23 ILE 67 3HG2 ILE 67 2.694 2.106 -7.241 516 HD11 ILE 67 1HD1 ILE 67 5.393 5.096 -6.161 517 HD12 ILE 67 2HD1 ILE 67 3.751 4.830 -6.742 518 HD13 ILE 67 3HD1 ILE 67 5.012 5.337 -7.866 519 HA PRO 68 HA PRO 68 2.601 -1.487 -11.117 520 HB2 PRO 68 2HB PRO 68 0.264 -0.727 -9.420 521 HB3 PRO 68 1HB PRO 68 0.687 -2.302 -10.107 522 HG2 PRO 68 2HG PRO 68 1.121 -1.799 -7.532 523 HG3 PRO 68 1HG PRO 68 2.297 -2.722 -8.485 524 HD2 PRO 68 2HD PRO 68 2.437 0.089 -7.515 525 HD3 PRO 68 1HD PRO 68 3.735 -1.092 -7.758 526 H GLU 69 H GLU 69 1.989 -0.697 -13.020 527 HA GLU 69 HA GLU 69 1.569 2.020 -13.515 528 HB2 GLU 69 2HB GLU 69 0.767 -0.322 -15.240 529 HB3 GLU 69 1HB GLU 69 0.911 1.346 -15.775 530 HG2 GLU 69 2HG GLU 69 3.352 1.100 -14.852 531 HG3 GLU 69 1HG GLU 69 3.034 -0.617 -15.094 532 H GLU 70 H GLU 70 -0.686 -0.338 -12.465 533 HA GLU 70 HA GLU 70 -3.017 0.961 -13.513 534 HB2 GLU 70 2HB GLU 70 -4.247 -0.592 -11.981 535 HB3 GLU 70 1HB GLU 70 -3.175 -1.388 -13.123 536 HG2 GLU 70 2HG GLU 70 -1.490 -1.610 -11.342 537 HG3 GLU 70 1HG GLU 70 -2.622 -0.885 -10.203 538 H ILE 71 H ILE 71 -0.980 1.512 -10.838 539 HA ILE 71 HA ILE 71 -3.005 3.291 -9.646 540 HB ILE 71 HB ILE 71 -2.189 2.843 -7.452 541 HG12 ILE 71 2HG1 ILE 71 -0.019 1.254 -8.824 542 HG13 ILE 71 1HG1 ILE 71 0.173 2.679 -7.809 543 HG21 ILE 71 1HG2 ILE 71 -2.565 0.394 -7.256 544 HG22 ILE 71 2HG2 ILE 71 -2.505 0.289 -9.016 545 HG23 ILE 71 3HG2 ILE 71 -3.780 1.222 -8.231 546 HD11 ILE 71 1HD1 ILE 71 -0.831 0.011 -6.845 547 HD12 ILE 71 2HD1 ILE 71 -0.482 1.427 -5.857 548 HD13 ILE 71 3HD1 ILE 71 0.827 0.590 -6.690 549 H ILE 72 H ILE 72 0.087 3.008 -11.000 550 HA ILE 72 HA ILE 72 1.541 5.076 -9.752 551 HB ILE 72 HB ILE 72 2.284 3.243 -11.338 552 HG12 ILE 72 2HG1 ILE 72 3.567 5.375 -10.427 553 HG13 ILE 72 1HG1 ILE 72 4.318 4.236 -11.538 554 HG21 ILE 72 1HG2 ILE 72 2.528 3.831 -13.696 555 HG22 ILE 72 2HG2 ILE 72 1.605 5.306 -13.404 556 HG23 ILE 72 3HG2 ILE 72 0.835 3.733 -13.200 557 HD11 ILE 72 1HD1 ILE 72 2.998 6.819 -12.339 558 HD12 ILE 72 2HD1 ILE 72 3.852 5.703 -13.404 559 HD13 ILE 72 3HD1 ILE 72 4.732 6.575 -12.148 560 H ASN 73 H ASN 73 -0.966 5.173 -12.169 561 HA ASN 73 HA ASN 73 -0.378 8.023 -12.542 562 HB2 ASN 73 2HB ASN 73 -1.761 6.022 -14.302 563 HB3 ASN 73 1HB ASN 73 -2.029 7.748 -14.522 564 HD21 ASN 73 1HD2 ASN 73 -0.836 5.920 -16.373 565 HD22 ASN 73 2HD2 ASN 73 0.769 6.483 -16.671 566 H GLY 74 H GLY 74 -1.855 6.541 -10.353 567 HA2 GLY 74 2HA GLY 74 -4.309 8.216 -10.564 568 HA3 GLY 74 1HA GLY 74 -4.361 6.591 -9.904 569 H LYS 75 H LYS 75 -1.759 8.856 -9.211 570 HA LYS 75 HA LYS 75 -0.974 9.712 -7.246 571 HB2 LYS 75 2HB LYS 75 -3.136 11.017 -7.553 572 HB3 LYS 75 1HB LYS 75 -3.832 9.961 -6.338 573 HG2 LYS 75 2HG LYS 75 -3.158 11.608 -4.962 574 HG3 LYS 75 1HG LYS 75 -1.612 10.760 -5.057 575 HD2 LYS 75 2HD LYS 75 -0.717 12.294 -6.554 576 HD3 LYS 75 1HD LYS 75 -2.306 12.867 -7.065 577 HE2 LYS 75 2HE LYS 75 -2.559 13.739 -4.677 578 HE3 LYS 75 1HE LYS 75 -0.824 13.469 -4.526 579 HZ1 LYS 75 1HZ LYS 75 -1.688 14.945 -6.876 580 HZ2 LYS 75 2HZ LYS 75 -0.342 15.195 -5.880 581 HZ3 LYS 75 3HZ LYS 75 -1.872 15.748 -5.392 582 H CYS 76 H CYS 76 0.077 8.228 -6.155 583 HA CYS 76 HA CYS 76 -1.504 6.171 -4.781 584 HB2 CYS 76 2HB CYS 76 0.517 5.787 -6.539 585 HB3 CYS 76 1HB CYS 76 1.412 5.788 -5.025 586 HG CYS 76 HG CYS 76 -1.302 3.785 -5.542 587 H PHE 77 H PHE 77 -0.392 5.297 -2.818 588 HA PHE 77 HA PHE 77 1.002 7.303 -1.238 589 HB2 PHE 77 2HB PHE 77 -1.598 5.984 -0.437 590 HB3 PHE 77 1HB PHE 77 -0.561 6.892 0.663 591 HD1 PHE 77 1HD PHE 77 -0.035 9.319 -0.001 592 HD2 PHE 77 2HD PHE 77 -3.250 7.069 -1.628 593 HE1 PHE 77 1HE PHE 77 -1.128 11.408 -0.690 594 HE2 PHE 77 2HE PHE 77 -4.357 9.155 -2.319 595 HZ PHE 77 HZ PHE 77 -3.289 11.322 -1.874 596 H PHE 78 H PHE 78 2.750 6.295 -0.602 597 HA PHE 78 HA PHE 78 2.786 3.412 -0.321 598 HB2 PHE 78 2HB PHE 78 4.742 4.691 -1.247 599 HB3 PHE 78 1HB PHE 78 4.974 5.405 0.346 600 HD1 PHE 78 1HD PHE 78 4.941 2.203 -1.494 601 HD2 PHE 78 2HD PHE 78 6.206 4.279 1.996 602 HE1 PHE 78 1HE PHE 78 6.354 0.290 -0.878 603 HE2 PHE 78 2HE PHE 78 7.623 2.368 2.622 604 HZ PHE 78 HZ PHE 78 7.698 0.370 1.183 605 H ILE 79 H ILE 79 1.604 2.818 1.338 606 HA ILE 79 HA ILE 79 1.935 4.168 3.930 607 HB ILE 79 HB ILE 79 -0.121 3.278 4.597 608 HG12 ILE 79 2HG1 ILE 79 0.314 1.395 2.318 609 HG13 ILE 79 1HG1 ILE 79 -0.105 1.047 3.992 610 HG21 ILE 79 1HG2 ILE 79 -0.385 5.160 3.118 611 HG22 ILE 79 2HG2 ILE 79 -1.705 4.017 2.879 612 HG23 ILE 79 3HG2 ILE 79 -0.384 4.095 1.710 613 HD11 ILE 79 1HD1 ILE 79 -1.948 0.550 2.523 614 HD12 ILE 79 2HD1 ILE 79 -1.932 2.203 1.908 615 HD13 ILE 79 3HD1 ILE 79 -2.355 1.890 3.592 616 H HIS 80 H HIS 80 1.713 2.841 5.732 617 HA HIS 80 HA HIS 80 2.963 0.216 5.451 618 HB2 HIS 80 2HB HIS 80 4.642 1.436 6.448 619 HB3 HIS 80 1HB HIS 80 3.522 2.569 7.182 620 HD1 HIS 80 1HD HIS 80 5.077 -0.803 7.721 621 HD2 HIS 80 2HD HIS 80 2.772 2.015 9.726 622 HE1 HIS 80 1HE HIS 80 5.066 -1.537 10.142 623 HE2 HIS 80 2HE HIS 80 3.536 0.100 11.317 624 H TYR 81 H TYR 81 1.290 -1.104 5.651 625 HA TYR 81 HA TYR 81 -1.179 -0.617 6.736 626 HB2 TYR 81 2HB TYR 81 0.332 -3.180 6.330 627 HB3 TYR 81 1HB TYR 81 -1.295 -3.176 7.002 628 HD1 TYR 81 1HD TYR 81 -2.896 -1.456 5.534 629 HD2 TYR 81 2HD TYR 81 0.409 -3.713 4.105 630 HE1 TYR 81 1HE TYR 81 -3.846 -1.396 3.264 631 HE2 TYR 81 2HE TYR 81 -0.524 -3.664 1.834 632 HH TYR 81 HH TYR 81 -2.067 -2.747 0.499 633 H GLN 82 H GLN 82 -1.784 -0.083 8.675 634 HA GLN 82 HA GLN 82 -0.205 -0.521 11.012 635 HB2 GLN 82 2HB GLN 82 -3.081 0.362 10.702 636 HB3 GLN 82 1HB GLN 82 -2.195 0.373 12.219 637 HG2 GLN 82 2HG GLN 82 -0.943 1.802 9.964 638 HG3 GLN 82 1HG GLN 82 -2.421 2.504 10.622 639 HE21 GLN 82 1HE2 GLN 82 -2.460 3.185 12.764 640 HE22 GLN 82 2HE2 GLN 82 -0.991 3.527 13.633 641 H GLY 83 H GLY 83 -0.169 -2.255 12.306 642 HA2 GLY 83 2HA GLY 83 -1.376 -3.939 13.566 643 HA3 GLY 83 1HA GLY 83 -2.441 -4.132 12.175 644 H TRP 84 H TRP 84 0.016 -3.882 10.428 645 HA TRP 84 HA TRP 84 0.784 -6.702 10.597 646 HB2 TRP 84 2HB TRP 84 0.872 -4.659 8.383 647 HB3 TRP 84 1HB TRP 84 1.775 -6.164 8.275 648 HD1 TRP 84 HD TRP 84 -1.435 -4.745 7.323 649 HE1 TRP 84 1HE TRP 84 -3.129 -6.584 6.702 650 HE3 TRP 84 3HE TRP 84 1.006 -8.787 9.280 651 HZ2 TRP 84 2HZ TRP 84 -3.396 -9.370 7.016 652 HZ3 TRP 84 3HZ TRP 84 -0.036 -11.005 9.079 653 HH2 TRP 84 HH TRP 84 -2.189 -11.293 7.972 654 H LYS 85 H LYS 85 2.885 -4.703 8.817 655 HA LYS 85 HA LYS 85 4.666 -3.793 10.772 656 HB2 LYS 85 2HB LYS 85 6.538 -5.428 10.334 657 HB3 LYS 85 1HB LYS 85 5.220 -6.044 11.321 658 HG2 LYS 85 2HG LYS 85 4.312 -7.193 9.341 659 HG3 LYS 85 1HG LYS 85 5.690 -6.615 8.399 660 HD2 LYS 85 2HD LYS 85 7.215 -7.881 9.687 661 HD3 LYS 85 1HD LYS 85 6.003 -8.217 10.924 662 HE2 LYS 85 2HE LYS 85 4.721 -9.514 9.249 663 HE3 LYS 85 1HE LYS 85 6.029 -9.256 8.094 664 HZ1 LYS 85 1HZ LYS 85 6.743 -10.378 10.688 665 HZ2 LYS 85 2HZ LYS 85 7.379 -10.715 9.152 666 HZ3 LYS 85 3HZ LYS 85 5.890 -11.383 9.626 667 H SER 86 H SER 86 7.049 -3.736 9.531 668 HA SER 86 HA SER 86 6.595 -1.948 7.382 669 HB2 SER 86 2HB SER 86 9.258 -3.236 7.881 670 HB3 SER 86 1HB SER 86 8.892 -1.577 7.406 671 HG SER 86 HG SER 86 8.392 -1.066 9.444 672 H SER 87 H SER 87 6.895 -5.350 7.484 673 HA SER 87 HA SER 87 7.884 -5.744 4.839 674 HB2 SER 87 2HB SER 87 6.198 -7.800 6.196 675 HB3 SER 87 1HB SER 87 7.713 -7.994 5.312 676 HG SER 87 HG SER 87 8.599 -8.032 7.213 677 H TRP 88 H TRP 88 5.051 -4.467 5.948 678 HA TRP 88 HA TRP 88 3.583 -5.380 3.571 679 HB2 TRP 88 2HB TRP 88 2.627 -4.843 6.365 680 HB3 TRP 88 1HB TRP 88 1.518 -4.711 5.000 681 HD1 TRP 88 HD TRP 88 3.371 -7.275 7.108 682 HE1 TRP 88 1HE TRP 88 2.605 -9.638 6.431 683 HE3 TRP 88 3HE TRP 88 0.588 -6.068 2.991 684 HZ2 TRP 88 2HZ TRP 88 1.015 -10.827 4.411 685 HZ3 TRP 88 3HZ TRP 88 -0.527 -7.873 1.745 686 HH2 TRP 88 HH TRP 88 -0.314 -10.204 2.446 687 H ASP 89 H ASP 89 5.444 -3.114 3.979 688 HA ASP 89 HA ASP 89 3.803 -0.748 3.841 689 HB2 ASP 89 2HB ASP 89 6.736 -1.267 3.287 690 HB3 ASP 89 1HB ASP 89 5.997 0.315 3.055 691 H GLU 90 H GLU 90 2.419 -0.732 2.154 692 HA GLU 90 HA GLU 90 3.463 -1.410 -0.515 693 HB2 GLU 90 2HB GLU 90 1.763 -2.996 0.561 694 HB3 GLU 90 1HB GLU 90 0.585 -1.716 0.321 695 HG2 GLU 90 2HG GLU 90 1.636 -1.899 -2.163 696 HG3 GLU 90 1HG GLU 90 1.797 -3.565 -1.610 697 H TRP 91 H TRP 91 2.224 -0.475 -2.310 698 HA TRP 91 HA TRP 91 1.725 2.370 -1.867 699 HB2 TRP 91 2HB TRP 91 2.219 0.670 -4.305 700 HB3 TRP 91 1HB TRP 91 1.566 2.294 -4.449 701 HD1 TRP 91 HD TRP 91 4.764 0.408 -4.090 702 HE1 TRP 91 1HE TRP 91 6.735 2.055 -4.084 703 HE3 TRP 91 3HE TRP 91 2.181 4.800 -3.480 704 HZ2 TRP 91 2HZ TRP 91 7.139 4.832 -3.867 705 HZ3 TRP 91 3HZ TRP 91 3.466 6.903 -3.372 706 HH2 TRP 91 HH TRP 91 5.892 6.909 -3.554 707 H VAL 92 H VAL 92 -0.355 2.997 -1.562 708 HA VAL 92 HA VAL 92 -2.433 1.575 -3.096 709 HB VAL 92 HB VAL 92 -4.049 1.981 -1.314 710 HG11 VAL 92 1HG1 VAL 92 -2.893 -0.119 -1.245 711 HG12 VAL 92 2HG1 VAL 92 -3.137 0.465 0.401 712 HG13 VAL 92 3HG1 VAL 92 -1.551 0.604 -0.357 713 HG21 VAL 92 1HG2 VAL 92 -3.376 2.839 0.866 714 HG22 VAL 92 2HG2 VAL 92 -3.100 4.034 -0.401 715 HG23 VAL 92 3HG2 VAL 92 -1.744 3.121 0.260 716 H GLY 93 H GLY 93 -3.805 2.853 -4.278 717 HA2 GLY 93 2HA GLY 93 -3.261 5.755 -4.096 718 HA3 GLY 93 1HA GLY 93 -3.723 4.925 -5.576 719 H TYR 94 H TYR 94 -5.290 6.858 -5.401 720 HA TYR 94 HA TYR 94 -7.423 6.859 -3.564 721 HB2 TYR 94 2HB TYR 94 -7.120 7.918 -6.358 722 HB3 TYR 94 1HB TYR 94 -8.654 8.044 -5.501 723 HD1 TYR 94 1HD TYR 94 -5.058 8.910 -5.218 724 HD2 TYR 94 2HD TYR 94 -9.039 9.790 -4.037 725 HE1 TYR 94 1HE TYR 94 -4.265 10.941 -4.100 726 HE2 TYR 94 2HE TYR 94 -8.266 11.825 -2.917 727 HH TYR 94 HH TYR 94 -5.984 12.590 -1.860 728 H ASP 95 H ASP 95 -6.619 4.594 -5.741 729 HA ASP 95 HA ASP 95 -9.240 3.794 -6.667 730 HB2 ASP 95 2HB ASP 95 -7.966 1.796 -7.558 731 HB3 ASP 95 1HB ASP 95 -7.402 3.355 -8.156 732 H ARG 96 H ARG 96 -7.058 3.077 -4.064 733 HA ARG 96 HA ARG 96 -9.004 1.092 -3.066 734 HB2 ARG 96 2HB ARG 96 -5.986 0.970 -2.844 735 HB3 ARG 96 1HB ARG 96 -7.093 -0.125 -2.026 736 HG2 ARG 96 2HG ARG 96 -7.666 -1.214 -3.969 737 HG3 ARG 96 1HG ARG 96 -7.213 0.149 -4.993 738 HD2 ARG 96 2HD ARG 96 -5.625 -1.742 -5.161 739 HD3 ARG 96 1HD ARG 96 -4.874 -0.258 -4.580 740 HE ARG 96 HE ARG 96 -5.769 -2.037 -2.491 741 HH11 ARG 96 1HH1 ARG 96 -3.113 -1.197 -4.619 742 HH12 ARG 96 2HH1 ARG 96 -1.900 -1.892 -3.579 743 HH21 ARG 96 1HH2 ARG 96 -4.149 -2.916 -1.122 744 HH22 ARG 96 2HH2 ARG 96 -2.476 -2.840 -1.602 745 H ILE 97 H ILE 97 -7.105 3.871 -2.483 746 HA ILE 97 HA ILE 97 -7.233 3.608 0.388 747 HB ILE 97 HB ILE 97 -5.328 4.700 -1.042 748 HG12 ILE 97 2HG1 ILE 97 -6.368 5.917 1.496 749 HG13 ILE 97 1HG1 ILE 97 -5.361 4.482 1.369 750 HG21 ILE 97 1HG2 ILE 97 -7.154 7.044 -0.599 751 HG22 ILE 97 2HG2 ILE 97 -6.696 6.354 -2.159 752 HG23 ILE 97 3HG2 ILE 97 -5.478 7.128 -1.142 753 HD11 ILE 97 1HD1 ILE 97 -4.115 6.493 2.057 754 HD12 ILE 97 2HD1 ILE 97 -4.527 7.239 0.512 755 HD13 ILE 97 3HD1 ILE 97 -3.517 5.792 0.552 756 H ARG 98 H ARG 98 -8.351 4.830 1.768 757 HA ARG 98 HA ARG 98 -10.436 6.621 0.740 758 HB2 ARG 98 2HB ARG 98 -10.806 4.410 2.778 759 HB3 ARG 98 1HB ARG 98 -12.000 5.653 2.438 760 HG2 ARG 98 2HG ARG 98 -11.034 3.473 0.608 761 HG3 ARG 98 1HG ARG 98 -12.655 3.698 1.269 762 HD2 ARG 98 2HD ARG 98 -12.700 5.906 0.020 763 HD3 ARG 98 1HD ARG 98 -11.244 5.357 -0.805 764 HE ARG 98 HE ARG 98 -13.779 3.850 -0.920 765 HH11 ARG 98 1HH1 ARG 98 -10.959 5.263 -2.459 766 HH12 ARG 98 2HH1 ARG 98 -11.434 4.779 -4.060 767 HH21 ARG 98 1HH2 ARG 98 -14.385 3.186 -3.007 768 HH22 ARG 98 2HH2 ARG 98 -13.363 3.547 -4.367 769 H ALA 99 H ALA 99 -11.520 7.443 3.114 770 HA ALA 99 HA ALA 99 -9.212 8.702 4.380 771 HB1 ALA 99 1HB ALA 99 -12.090 9.651 4.195 772 HB2 ALA 99 2HB ALA 99 -10.711 10.329 3.332 773 HB3 ALA 99 3HB ALA 99 -10.806 10.465 5.087 774 H TYR 100 H TYR 100 -8.900 8.284 6.397 775 HA TYR 100 HA TYR 100 -10.431 6.271 7.693 776 HB2 TYR 100 2HB TYR 100 -8.011 6.493 7.812 777 HB3 TYR 100 1HB TYR 100 -8.190 8.050 8.581 778 HD1 TYR 100 1HD TYR 100 -8.891 8.168 10.948 779 HD2 TYR 100 2HD TYR 100 -8.301 4.439 8.992 780 HE1 TYR 100 1HE TYR 100 -8.827 7.040 13.131 781 HE2 TYR 100 2HE TYR 100 -8.246 3.298 11.164 782 HH TYR 100 HH TYR 100 -7.846 3.726 13.446 783 H ASN 101 H ASN 101 -12.456 6.952 8.146 784 HA ASN 101 HA ASN 101 -12.757 9.034 10.173 785 HB2 ASN 101 2HB ASN 101 -14.798 9.874 8.924 786 HB3 ASN 101 1HB ASN 101 -13.251 10.260 8.177 787 HD21 ASN 101 1HD2 ASN 101 -13.584 10.258 6.070 788 HD22 ASN 101 2HD2 ASN 101 -14.347 8.993 5.170 789 H GLU 102 H GLU 102 -15.591 8.954 10.245 790 HA GLU 102 HA GLU 102 -15.907 6.347 11.490 791 HB2 GLU 102 2HB GLU 102 -17.915 8.591 11.417 792 HB3 GLU 102 1HB GLU 102 -17.870 7.228 12.527 793 HG2 GLU 102 2HG GLU 102 -16.918 8.701 13.911 794 HG3 GLU 102 1HG GLU 102 -15.453 8.326 13.005 795 H GLU 103 H GLU 103 -16.477 7.498 8.424 796 HA GLU 103 HA GLU 103 -18.931 5.938 8.069 797 HB2 GLU 103 2HB GLU 103 -18.958 8.176 7.123 798 HB3 GLU 103 1HB GLU 103 -17.518 7.820 6.177 799 HG2 GLU 103 2HG GLU 103 -18.652 6.627 4.633 800 HG3 GLU 103 1HG GLU 103 -19.812 6.001 5.803 801 H ASN 104 H ASN 104 -15.709 6.235 6.570 802 HA ASN 104 HA ASN 104 -16.087 4.001 4.848 803 HB2 ASN 104 2HB ASN 104 -13.647 5.529 5.733 804 HB3 ASN 104 1HB ASN 104 -13.539 4.140 4.656 805 HD21 ASN 104 1HD2 ASN 104 -14.476 4.276 2.592 806 HD22 ASN 104 2HD2 ASN 104 -14.801 5.804 1.844 807 H ILE 105 H ILE 105 -14.814 4.476 8.026 808 HA ILE 105 HA ILE 105 -13.694 1.881 8.362 809 HB ILE 105 HB ILE 105 -14.480 4.092 10.185 810 HG12 ILE 105 2HG1 ILE 105 -11.855 2.836 9.375 811 HG13 ILE 105 1HG1 ILE 105 -12.450 4.439 8.940 812 HG21 ILE 105 1HG2 ILE 105 -13.312 1.461 11.046 813 HG22 ILE 105 2HG2 ILE 105 -14.950 2.022 11.381 814 HG23 ILE 105 3HG2 ILE 105 -13.568 2.868 12.077 815 HD11 ILE 105 1HD1 ILE 105 -11.704 3.498 11.682 816 HD12 ILE 105 2HD1 ILE 105 -12.358 5.088 11.291 817 HD13 ILE 105 3HD1 ILE 105 -10.785 4.599 10.659 818 H ALA 106 H ALA 106 -16.786 3.420 8.978 819 HA ALA 106 HA ALA 106 -17.992 1.421 10.516 820 HB1 ALA 106 1HB ALA 106 -18.943 3.665 10.215 821 HB2 ALA 106 2HB ALA 106 -20.113 2.405 9.824 822 HB3 ALA 106 3HB ALA 106 -19.297 3.283 8.530 823 H MET 107 H MET 107 -17.422 1.768 7.086 824 HA MET 107 HA MET 107 -19.040 -0.485 6.357 825 HB2 MET 107 2HB MET 107 -18.011 1.489 4.838 826 HB3 MET 107 1HB MET 107 -16.740 0.290 4.632 827 HG2 MET 107 2HG MET 107 -18.294 -1.288 3.738 828 HG3 MET 107 1HG MET 107 -19.648 -0.209 4.066 829 HE1 MET 107 1HE MET 107 -18.530 -1.701 1.280 830 HE2 MET 107 2HE MET 107 -18.966 -0.482 0.083 831 HE3 MET 107 3HE MET 107 -20.112 -0.920 1.347 832 H LYS 108 H LYS 108 -15.581 0.154 6.854 833 HA LYS 108 HA LYS 108 -14.435 -2.259 6.273 834 HB2 LYS 108 2HB LYS 108 -13.164 -0.268 6.837 835 HB3 LYS 108 1HB LYS 108 -13.772 -0.305 8.485 836 HG2 LYS 108 2HG LYS 108 -12.653 -2.722 8.400 837 HG3 LYS 108 1HG LYS 108 -11.644 -1.897 7.215 838 HD2 LYS 108 2HD LYS 108 -11.599 -0.027 9.075 839 HD3 LYS 108 1HD LYS 108 -11.941 -1.399 10.126 840 HE2 LYS 108 2HE LYS 108 -9.596 -1.070 8.267 841 HE3 LYS 108 1HE LYS 108 -9.573 -1.077 10.031 842 HZ1 LYS 108 1HZ LYS 108 -10.249 -3.370 8.264 843 HZ2 LYS 108 2HZ LYS 108 -10.366 -3.393 9.959 844 HZ3 LYS 108 3HZ LYS 108 -8.859 -3.200 9.216 845 H LYS 109 H LYS 109 -16.022 -1.263 9.250 846 HA LYS 109 HA LYS 109 -15.489 -3.572 10.779 847 HB2 LYS 109 2HB LYS 109 -17.977 -1.858 10.948 848 HB3 LYS 109 1HB LYS 109 -17.352 -2.922 12.197 849 HG2 LYS 109 2HG LYS 109 -16.123 -0.366 11.201 850 HG3 LYS 109 1HG LYS 109 -16.848 -0.668 12.784 851 HD2 LYS 109 2HD LYS 109 -15.080 -2.424 13.129 852 HD3 LYS 109 1HD LYS 109 -14.306 -1.827 11.661 853 HE2 LYS 109 2HE LYS 109 -13.258 -0.797 13.561 854 HE3 LYS 109 1HE LYS 109 -14.185 0.419 12.689 855 HZ1 LYS 109 1HZ LYS 109 -14.367 0.391 15.205 856 HZ2 LYS 109 2HZ LYS 109 -15.310 -1.006 15.030 857 HZ3 LYS 109 3HZ LYS 109 -15.823 0.454 14.334 858 H ARG 110 H ARG 110 -18.424 -2.722 8.978 859 HA ARG 110 HA ARG 110 -19.703 -5.215 9.219 860 HB2 ARG 110 2HB ARG 110 -21.048 -3.407 8.551 861 HB3 ARG 110 1HB ARG 110 -19.913 -2.899 7.319 862 HG2 ARG 110 2HG ARG 110 -20.509 -4.843 5.966 863 HG3 ARG 110 1HG ARG 110 -21.660 -5.352 7.205 864 HD2 ARG 110 2HD ARG 110 -21.756 -2.808 5.581 865 HD3 ARG 110 1HD ARG 110 -22.823 -4.203 5.422 866 HE ARG 110 HE ARG 110 -22.921 -2.140 7.454 867 HH11 ARG 110 1HH1 ARG 110 -23.953 -5.353 6.497 868 HH12 ARG 110 2HH1 ARG 110 -25.343 -5.342 7.547 869 HH21 ARG 110 1HH2 ARG 110 -24.714 -2.158 8.876 870 HH22 ARG 110 2HH2 ARG 110 -25.768 -3.543 8.897 871 H LEU 111 H LEU 111 -17.458 -3.874 6.976 872 HA LEU 111 HA LEU 111 -17.549 -5.786 4.950 873 HB2 LEU 111 2HB LEU 111 -15.749 -3.625 5.836 874 HB3 LEU 111 1HB LEU 111 -15.067 -4.795 4.748 875 HG LEU 111 HG LEU 111 -17.616 -3.416 4.215 876 HD11 LEU 111 1HD1 LEU 111 -14.861 -2.606 3.338 877 HD12 LEU 111 2HD1 LEU 111 -15.904 -1.713 4.446 878 HD13 LEU 111 3HD1 LEU 111 -16.361 -1.885 2.750 879 HD21 LEU 111 1HD2 LEU 111 -17.380 -5.354 2.909 880 HD22 LEU 111 2HD2 LEU 111 -15.743 -4.888 2.442 881 HD23 LEU 111 3HD2 LEU 111 -17.124 -3.944 1.878 882 H ALA 112 H ALA 112 -15.457 -5.537 7.815 883 HA ALA 112 HA ALA 112 -14.027 -7.886 7.015 884 HB1 ALA 112 1HB ALA 112 -12.889 -7.719 9.172 885 HB2 ALA 112 2HB ALA 112 -14.045 -6.501 9.707 886 HB3 ALA 112 3HB ALA 112 -12.943 -6.146 8.377 887 H ASN 113 H ASN 113 -17.013 -7.338 8.346 888 HA ASN 113 HA ASN 113 -17.091 -9.938 9.671 889 HB2 ASN 113 2HB ASN 113 -18.820 -7.510 9.711 890 HB3 ASN 113 1HB ASN 113 -19.563 -9.069 10.046 891 HD21 ASN 113 1HD2 ASN 113 -17.284 -6.677 11.145 892 HD22 ASN 113 2HD2 ASN 113 -17.133 -7.288 12.759 893 H GLU 114 H GLU 114 -18.286 -8.167 6.898 894 HA GLU 114 HA GLU 114 -20.019 -10.361 6.089 895 HB2 GLU 114 2HB GLU 114 -19.610 -7.560 5.094 896 HB3 GLU 114 1HB GLU 114 -20.422 -8.751 4.089 897 HG2 GLU 114 2HG GLU 114 -21.918 -9.139 6.156 898 HG3 GLU 114 1HG GLU 114 -21.289 -7.589 6.709 899 H ALA 115 H ALA 115 -17.006 -8.749 4.970 900 HA ALA 115 HA ALA 115 -16.896 -10.417 2.603 901 HB1 ALA 115 1HB ALA 115 -15.826 -8.204 2.675 902 HB2 ALA 115 2HB ALA 115 -14.671 -9.477 2.285 903 HB3 ALA 115 3HB ALA 115 -14.713 -8.792 3.908 904 H LYS 116 H LYS 116 -16.489 -10.955 5.795 905 HA LYS 116 HA LYS 116 -14.494 -13.058 5.451 906 HB2 LYS 116 2HB LYS 116 -13.734 -12.462 7.467 907 HB3 LYS 116 1HB LYS 116 -14.772 -11.059 7.325 908 HG2 LYS 116 2HG LYS 116 -16.203 -11.776 8.893 909 HG3 LYS 116 1HG LYS 116 -16.077 -13.465 8.400 910 HD2 LYS 116 2HD LYS 116 -14.085 -11.911 10.053 911 HD3 LYS 116 1HD LYS 116 -15.155 -13.192 10.625 912 HE2 LYS 116 2HE LYS 116 -14.021 -14.789 9.159 913 HE3 LYS 116 1HE LYS 116 -12.957 -13.507 8.588 914 HZ1 LYS 116 1HZ LYS 116 -13.127 -14.494 11.385 915 HZ2 LYS 116 2HZ LYS 116 -12.099 -13.265 10.835 916 HZ3 LYS 116 3HZ LYS 116 -11.894 -14.854 10.282 917 H GLU 117 H GLU 117 -17.852 -12.545 5.851 918 HA GLU 117 HA GLU 117 -18.264 -15.245 6.892 919 HB2 GLU 117 2HB GLU 117 -20.613 -14.621 7.143 920 HB3 GLU 117 1HB GLU 117 -19.565 -13.458 7.937 921 HG2 GLU 117 2HG GLU 117 -20.638 -11.858 6.855 922 HG3 GLU 117 1HG GLU 117 -19.920 -12.464 5.362 923 H ALA 118 H ALA 118 -18.334 -13.456 3.988 924 HA ALA 118 HA ALA 118 -20.187 -14.731 2.400 925 HB1 ALA 118 1HB ALA 118 -18.861 -12.781 1.718 926 HB2 ALA 118 2HB ALA 118 -18.822 -14.059 0.506 927 HB3 ALA 118 3HB ALA 118 -17.438 -13.809 1.570 928 H LYS 119 H LYS 119 -20.485 -16.815 2.033 929 HA LYS 119 HA LYS 119 -18.121 -18.556 1.834 930 HB2 LYS 119 2HB LYS 119 -19.399 -19.042 3.862 931 HB3 LYS 119 1HB LYS 119 -20.865 -19.236 2.914 932 HG2 LYS 119 2HG LYS 119 -19.754 -21.146 1.743 933 HG3 LYS 119 1HG LYS 119 -18.432 -21.005 2.906 934 HD2 LYS 119 2HD LYS 119 -19.581 -22.218 4.366 935 HD3 LYS 119 1HD LYS 119 -20.884 -21.027 4.338 936 HE2 LYS 119 2HE LYS 119 -20.551 -23.372 2.475 937 HE3 LYS 119 1HE LYS 119 -21.739 -23.226 3.769 938 HZ1 LYS 119 1HZ LYS 119 -22.934 -22.647 1.894 939 HZ2 LYS 119 2HZ LYS 119 -21.646 -21.826 1.170 940 HZ3 LYS 119 3HZ LYS 119 -22.467 -21.125 2.482 941 H LYS 120 H LYS 120 -17.818 -18.843 -0.259 942 HA LYS 120 HA LYS 120 -19.791 -20.303 -1.751 943 HB2 LYS 120 2HB LYS 120 -20.192 -17.717 -2.057 944 HB3 LYS 120 1HB LYS 120 -18.812 -17.829 -3.136 945 HG2 LYS 120 2HG LYS 120 -20.069 -19.694 -4.317 946 HG3 LYS 120 1HG LYS 120 -21.479 -19.194 -3.378 947 HD2 LYS 120 2HD LYS 120 -19.895 -17.419 -5.236 948 HD3 LYS 120 1HD LYS 120 -21.438 -18.179 -5.624 949 HE2 LYS 120 2HE LYS 120 -22.407 -16.331 -4.827 950 HE3 LYS 120 1HE LYS 120 -21.918 -16.884 -3.224 951 HZ1 LYS 120 1HZ LYS 120 -20.541 -14.953 -4.995 952 HZ2 LYS 120 2HZ LYS 120 -19.756 -15.683 -3.682 953 HZ3 LYS 120 3HZ LYS 120 -21.120 -14.707 -3.419 Start of MODEL 2 1 H MET 1 1HT MET 1 -14.777 16.603 -7.960 2 HA MET 1 HA MET 1 -12.664 15.571 -7.634 3 HB2 MET 1 2HB MET 1 -11.221 17.367 -8.409 4 HB3 MET 1 1HB MET 1 -11.714 18.385 -7.064 5 HG2 MET 1 2HG MET 1 -10.690 16.800 -5.498 6 HG3 MET 1 1HG MET 1 -10.168 15.810 -6.858 7 HE1 MET 1 1HE MET 1 -7.357 17.831 -8.504 8 HE2 MET 1 2HE MET 1 -9.027 17.626 -9.036 9 HE3 MET 1 3HE MET 1 -8.147 16.263 -8.339 10 H VAL 2 H VAL 2 -13.246 14.442 -6.021 11 HA VAL 2 HA VAL 2 -13.772 15.785 -3.454 12 HB VAL 2 HB VAL 2 -15.107 13.696 -2.885 13 HG11 VAL 2 1HG1 VAL 2 -16.197 15.817 -3.319 14 HG12 VAL 2 2HG1 VAL 2 -17.141 14.500 -4.013 15 HG13 VAL 2 3HG1 VAL 2 -16.144 15.516 -5.056 16 HG21 VAL 2 1HG2 VAL 2 -16.061 12.446 -4.769 17 HG22 VAL 2 2HG2 VAL 2 -14.308 12.256 -4.671 18 HG23 VAL 2 3HG2 VAL 2 -15.013 13.332 -5.877 19 H ASP 3 H ASP 3 -13.398 14.230 -1.607 20 HA ASP 3 HA ASP 3 -12.013 12.957 -0.333 21 HB2 ASP 3 2HB ASP 3 -11.388 11.700 -3.005 22 HB3 ASP 3 1HB ASP 3 -10.636 11.160 -1.508 23 H LEU 4 H LEU 4 -11.286 15.503 -1.261 24 HA LEU 4 HA LEU 4 -8.364 15.313 -1.561 25 HB2 LEU 4 2HB LEU 4 -8.360 17.373 -2.607 26 HB3 LEU 4 1HB LEU 4 -9.876 16.691 -3.169 27 HG LEU 4 HG LEU 4 -10.518 18.092 -0.826 28 HD11 LEU 4 1HD1 LEU 4 -8.396 19.230 -0.891 29 HD12 LEU 4 2HD1 LEU 4 -9.686 20.351 -1.333 30 HD13 LEU 4 3HD1 LEU 4 -8.650 19.665 -2.580 31 HD21 LEU 4 1HD2 LEU 4 -11.776 19.514 -2.337 32 HD22 LEU 4 2HD2 LEU 4 -11.906 17.824 -2.831 33 HD23 LEU 4 3HD2 LEU 4 -10.835 18.920 -3.705 34 H GLU 5 H GLU 5 -10.526 15.381 0.758 35 HA GLU 5 HA GLU 5 -10.123 17.499 2.467 36 HB2 GLU 5 2HB GLU 5 -10.369 14.914 3.836 37 HB3 GLU 5 1HB GLU 5 -11.396 16.336 3.919 38 HG2 GLU 5 2HG GLU 5 -11.433 14.243 1.755 39 HG3 GLU 5 1HG GLU 5 -12.612 14.417 3.052 40 H GLN 6 H GLN 6 -7.738 15.395 1.513 41 HA GLN 6 HA GLN 6 -5.530 15.358 1.970 42 HB2 GLN 6 2HB GLN 6 -6.114 17.741 2.998 43 HB3 GLN 6 1HB GLN 6 -5.692 16.914 4.491 44 HG2 GLN 6 2HG GLN 6 -3.615 16.165 2.996 45 HG3 GLN 6 1HG GLN 6 -3.993 17.695 2.210 46 HE21 GLN 6 1HE2 GLN 6 -3.418 16.242 5.353 47 HE22 GLN 6 2HE2 GLN 6 -2.671 17.627 6.071 48 H GLU 7 H GLU 7 -7.698 13.674 3.341 49 HA GLU 7 HA GLU 7 -6.264 12.654 5.649 50 HB2 GLU 7 2HB GLU 7 -8.334 10.875 4.698 51 HB3 GLU 7 1HB GLU 7 -8.256 11.772 6.211 52 HG2 GLU 7 2HG GLU 7 -8.988 13.782 4.732 53 HG3 GLU 7 1HG GLU 7 -9.522 12.523 3.620 54 H PHE 8 H PHE 8 -5.417 12.667 2.719 55 HA PHE 8 HA PHE 8 -4.271 9.995 2.640 56 HB2 PHE 8 2HB PHE 8 -5.043 11.292 0.069 57 HB3 PHE 8 1HB PHE 8 -4.866 9.582 0.429 58 HD1 PHE 8 1HD PHE 8 -6.736 8.274 0.679 59 HD2 PHE 8 2HD PHE 8 -7.094 12.499 1.078 60 HE1 PHE 8 1HE PHE 8 -9.179 8.062 0.768 61 HE2 PHE 8 2HE PHE 8 -9.539 12.286 1.172 62 HZ PHE 8 HZ PHE 8 -10.580 10.066 1.015 63 H ALA 9 H ALA 9 -2.672 11.519 3.637 64 HA ALA 9 HA ALA 9 -0.999 12.613 1.587 65 HB1 ALA 9 1HB ALA 9 -2.037 14.341 3.831 66 HB2 ALA 9 2HB ALA 9 -2.532 14.454 2.141 67 HB3 ALA 9 3HB ALA 9 -0.867 14.818 2.600 68 H LEU 10 H LEU 10 0.507 14.111 3.428 69 HA LEU 10 HA LEU 10 2.415 12.253 4.179 70 HB2 LEU 10 2HB LEU 10 1.869 15.099 4.827 71 HB3 LEU 10 1HB LEU 10 3.148 14.260 5.681 72 HG LEU 10 HG LEU 10 4.062 13.676 3.321 73 HD11 LEU 10 1HD1 LEU 10 3.471 15.265 1.579 74 HD12 LEU 10 2HD1 LEU 10 2.274 16.006 2.643 75 HD13 LEU 10 3HD1 LEU 10 2.056 14.343 2.093 76 HD21 LEU 10 1HD2 LEU 10 5.265 15.789 3.208 77 HD22 LEU 10 2HD2 LEU 10 5.142 15.225 4.874 78 HD23 LEU 10 3HD2 LEU 10 4.097 16.528 4.304 79 H GLY 11 H GLY 11 1.955 10.626 5.550 80 HA2 GLY 11 2HA GLY 11 1.718 9.579 7.573 81 HA3 GLY 11 1HA GLY 11 1.875 11.153 8.340 82 H GLY 12 H GLY 12 -0.533 10.448 5.953 83 HA2 GLY 12 2HA GLY 12 -2.616 11.160 7.842 84 HA3 GLY 12 1HA GLY 12 -2.817 10.871 6.118 85 H ARG 13 H ARG 13 -4.328 9.906 8.456 86 HA ARG 13 HA ARG 13 -3.798 7.039 8.428 87 HB2 ARG 13 2HB ARG 13 -5.404 8.886 10.093 88 HB3 ARG 13 1HB ARG 13 -6.112 7.297 9.833 89 HG2 ARG 13 2HG ARG 13 -4.848 7.240 11.855 90 HG3 ARG 13 1HG ARG 13 -4.001 6.277 10.642 91 HD2 ARG 13 2HD ARG 13 -2.483 8.138 10.213 92 HD3 ARG 13 1HD ARG 13 -3.341 9.126 11.396 93 HE ARG 13 HE ARG 13 -2.341 6.652 12.468 94 HH11 ARG 13 1HH1 ARG 13 -1.530 9.969 11.710 95 HH12 ARG 13 2HH1 ARG 13 -0.271 10.066 12.896 96 HH21 ARG 13 1HH2 ARG 13 -0.681 6.779 14.034 97 HH22 ARG 13 2HH2 ARG 13 0.209 8.262 14.229 98 H CYS 14 H CYS 14 -4.550 5.930 6.762 99 HA CYS 14 HA CYS 14 -7.173 6.695 5.667 100 HB2 CYS 14 2HB CYS 14 -6.330 6.176 3.432 101 HB3 CYS 14 1HB CYS 14 -5.361 7.441 4.185 102 HG CYS 14 HG CYS 14 -4.192 4.357 4.718 103 H LEU 15 H LEU 15 -8.126 4.997 4.339 104 HA LEU 15 HA LEU 15 -7.582 2.318 5.424 105 HB2 LEU 15 2HB LEU 15 -10.126 3.672 4.546 106 HB3 LEU 15 1HB LEU 15 -9.999 1.925 4.533 107 HG LEU 15 HG LEU 15 -9.640 3.656 6.979 108 HD11 LEU 15 1HD1 LEU 15 -11.983 2.010 6.038 109 HD12 LEU 15 2HD1 LEU 15 -11.925 3.760 6.248 110 HD13 LEU 15 3HD1 LEU 15 -11.824 2.700 7.655 111 HD21 LEU 15 1HD2 LEU 15 -9.689 1.582 8.214 112 HD22 LEU 15 2HD2 LEU 15 -8.394 1.528 7.019 113 HD23 LEU 15 3HD2 LEU 15 -9.903 0.663 6.725 114 H ALA 16 H ALA 16 -7.203 0.703 3.883 115 HA ALA 16 HA ALA 16 -7.389 1.611 1.085 116 HB1 ALA 16 1HB ALA 16 -5.247 0.557 0.562 117 HB2 ALA 16 2HB ALA 16 -5.029 0.127 2.258 118 HB3 ALA 16 3HB ALA 16 -5.052 1.823 1.773 119 H PHE 17 H PHE 17 -8.030 0.067 -0.377 120 HA PHE 17 HA PHE 17 -9.396 -2.163 0.849 121 HB2 PHE 17 2HB PHE 17 -9.483 -0.813 -1.778 122 HB3 PHE 17 1HB PHE 17 -9.852 -2.534 -1.784 123 HD1 PHE 17 1HD PHE 17 -11.473 -3.237 0.246 124 HD2 PHE 17 2HD PHE 17 -11.284 0.606 -1.574 125 HE1 PHE 17 1HE PHE 17 -13.766 -2.781 1.000 126 HE2 PHE 17 2HE PHE 17 -13.588 1.071 -0.819 127 HZ PHE 17 HZ PHE 17 -14.824 -0.624 0.473 128 H HIS 18 H HIS 18 -8.114 -3.714 1.445 129 HA HIS 18 HA HIS 18 -6.196 -4.847 -0.459 130 HB2 HIS 18 2HB HIS 18 -5.755 -4.334 2.131 131 HB3 HIS 18 1HB HIS 18 -6.533 -5.902 2.325 132 HD2 HIS 18 2HD HIS 18 -5.066 -8.100 1.505 133 HE1 HIS 18 1HE HIS 18 -1.559 -5.905 0.597 134 HE2 HIS 18 2HE HIS 18 -2.566 -8.223 0.805 135 H GLY 19 H GLY 19 -7.449 -5.971 -1.826 136 HA2 GLY 19 2HA GLY 19 -8.671 -7.792 -2.550 137 HA3 GLY 19 1HA GLY 19 -8.739 -8.358 -0.880 138 HA PRO 20 HA PRO 20 -12.861 -6.638 -1.160 139 HB2 PRO 20 2HB PRO 20 -13.909 -8.278 0.754 140 HB3 PRO 20 1HB PRO 20 -13.665 -8.752 -0.925 141 HG2 PRO 20 2HG PRO 20 -12.303 -9.729 1.426 142 HG3 PRO 20 1HG PRO 20 -12.128 -10.274 -0.251 143 HD2 PRO 20 2HD PRO 20 -10.440 -8.417 1.309 144 HD3 PRO 20 1HD PRO 20 -10.046 -9.347 -0.153 145 H LEU 21 H LEU 21 -10.676 -6.307 1.447 146 HA LEU 21 HA LEU 21 -12.743 -4.798 2.906 147 HB2 LEU 21 2HB LEU 21 -10.684 -6.664 3.990 148 HB3 LEU 21 1HB LEU 21 -11.332 -5.370 4.987 149 HG LEU 21 HG LEU 21 -12.763 -7.750 3.849 150 HD11 LEU 21 1HD1 LEU 21 -13.536 -7.960 6.164 151 HD12 LEU 21 2HD1 LEU 21 -12.601 -6.527 6.597 152 HD13 LEU 21 3HD1 LEU 21 -11.776 -7.988 6.055 153 HD21 LEU 21 1HD2 LEU 21 -14.865 -6.738 4.578 154 HD22 LEU 21 2HD2 LEU 21 -14.117 -5.819 3.272 155 HD23 LEU 21 3HD2 LEU 21 -14.013 -5.236 4.935 156 H MET 22 H MET 22 -12.001 -3.246 4.402 157 HA MET 22 HA MET 22 -9.923 -1.554 3.296 158 HB2 MET 22 2HB MET 22 -12.452 -1.159 4.747 159 HB3 MET 22 1HB MET 22 -11.139 -0.157 5.365 160 HG2 MET 22 2HG MET 22 -10.757 0.762 3.153 161 HG3 MET 22 1HG MET 22 -11.993 -0.293 2.474 162 HE1 MET 22 1HE MET 22 -15.283 1.137 3.931 163 HE2 MET 22 2HE MET 22 -14.337 -0.257 4.447 164 HE3 MET 22 3HE MET 22 -14.564 0.067 2.728 165 H TYR 23 H TYR 23 -7.969 -1.581 4.195 166 HA TYR 23 HA TYR 23 -7.748 -2.415 7.013 167 HB2 TYR 23 2HB TYR 23 -5.801 -2.653 4.716 168 HB3 TYR 23 1HB TYR 23 -5.324 -2.880 6.395 169 HD1 TYR 23 1HD TYR 23 -7.799 -4.154 3.897 170 HD2 TYR 23 2HD TYR 23 -5.425 -4.993 7.324 171 HE1 TYR 23 1HE TYR 23 -8.475 -6.516 3.782 172 HE2 TYR 23 2HE TYR 23 -6.096 -7.357 7.219 173 HH TYR 23 HH TYR 23 -8.125 -8.650 6.276 174 H GLU 24 H GLU 24 -6.530 -1.178 8.437 175 HA GLU 24 HA GLU 24 -6.367 1.606 7.855 176 HB2 GLU 24 2HB GLU 24 -5.030 0.200 10.164 177 HB3 GLU 24 1HB GLU 24 -5.567 1.872 10.085 178 HG2 GLU 24 2HG GLU 24 -7.306 1.086 11.254 179 HG3 GLU 24 1HG GLU 24 -7.898 0.621 9.662 180 H ALA 25 H ALA 25 -4.736 2.734 7.024 181 HA ALA 25 HA ALA 25 -2.056 1.536 7.061 182 HB1 ALA 25 1HB ALA 25 -3.364 2.713 4.622 183 HB2 ALA 25 2HB ALA 25 -3.075 0.997 4.912 184 HB3 ALA 25 3HB ALA 25 -1.714 2.102 4.731 185 H LYS 26 H LYS 26 -0.367 2.925 7.047 186 HA LYS 26 HA LYS 26 -1.012 5.748 7.566 187 HB2 LYS 26 2HB LYS 26 0.065 4.609 9.439 188 HB3 LYS 26 1HB LYS 26 1.363 4.064 8.389 189 HG2 LYS 26 2HG LYS 26 1.975 6.455 8.024 190 HG3 LYS 26 1HG LYS 26 0.783 6.885 9.253 191 HD2 LYS 26 2HD LYS 26 1.966 5.638 10.924 192 HD3 LYS 26 1HD LYS 26 3.058 4.967 9.715 193 HE2 LYS 26 2HE LYS 26 3.883 7.255 9.254 194 HE3 LYS 26 1HE LYS 26 2.860 7.853 10.560 195 HZ1 LYS 26 1HZ LYS 26 4.876 5.729 11.004 196 HZ2 LYS 26 2HZ LYS 26 4.116 6.723 12.152 197 HZ3 LYS 26 3HZ LYS 26 5.272 7.369 11.098 198 H ILE 27 H ILE 27 -0.699 6.964 5.831 199 HA ILE 27 HA ILE 27 0.961 6.158 3.657 200 HB ILE 27 HB ILE 27 -0.222 8.895 4.149 201 HG12 ILE 27 2HG1 ILE 27 -1.421 6.829 2.342 202 HG13 ILE 27 1HG1 ILE 27 -1.766 6.777 4.066 203 HG21 ILE 27 1HG2 ILE 27 1.550 8.834 2.467 204 HG22 ILE 27 2HG2 ILE 27 -0.025 9.165 1.744 205 HG23 ILE 27 3HG2 ILE 27 0.686 7.557 1.609 206 HD11 ILE 27 1HD1 ILE 27 -2.680 9.025 3.964 207 HD12 ILE 27 2HD1 ILE 27 -3.502 7.948 2.835 208 HD13 ILE 27 3HD1 ILE 27 -2.313 9.107 2.240 209 H LEU 28 H LEU 28 2.954 6.241 3.484 210 HA LEU 28 HA LEU 28 4.524 8.025 5.180 211 HB2 LEU 28 2HB LEU 28 4.854 5.555 5.243 212 HB3 LEU 28 1HB LEU 28 5.355 5.626 3.563 213 HG LEU 28 HG LEU 28 7.171 7.165 4.252 214 HD11 LEU 28 1HD1 LEU 28 7.800 7.264 6.607 215 HD12 LEU 28 2HD1 LEU 28 6.379 6.308 7.029 216 HD13 LEU 28 3HD1 LEU 28 6.185 7.926 6.354 217 HD21 LEU 28 1HD2 LEU 28 7.167 4.422 5.503 218 HD22 LEU 28 2HD2 LEU 28 8.601 5.385 5.145 219 HD23 LEU 28 3HD2 LEU 28 7.578 4.802 3.831 220 H LYS 29 H LYS 29 3.775 7.226 1.865 221 HA LYS 29 HA LYS 29 5.348 9.541 0.994 222 HB2 LYS 29 2HB LYS 29 5.328 6.942 -0.543 223 HB3 LYS 29 1HB LYS 29 6.247 8.390 -0.919 224 HG2 LYS 29 2HG LYS 29 7.616 8.063 1.047 225 HG3 LYS 29 1HG LYS 29 6.658 6.650 1.502 226 HD2 LYS 29 2HD LYS 29 7.364 5.499 -0.518 227 HD3 LYS 29 1HD LYS 29 8.260 6.926 -1.047 228 HE2 LYS 29 2HE LYS 29 9.640 6.727 1.014 229 HE3 LYS 29 1HE LYS 29 8.814 5.211 1.367 230 HZ1 LYS 29 1HZ LYS 29 10.911 5.751 -0.527 231 HZ2 LYS 29 2HZ LYS 29 9.635 4.862 -1.194 232 HZ3 LYS 29 3HZ LYS 29 10.448 4.285 0.186 233 H ILE 30 H ILE 30 4.311 10.792 -0.391 234 HA ILE 30 HA ILE 30 1.741 9.865 -1.503 235 HB ILE 30 HB ILE 30 2.807 12.642 -0.950 236 HG12 ILE 30 2HG1 ILE 30 0.661 12.858 0.288 237 HG13 ILE 30 1HG1 ILE 30 0.310 11.173 -0.077 238 HG21 ILE 30 1HG2 ILE 30 1.778 12.632 -3.169 239 HG22 ILE 30 2HG2 ILE 30 0.823 13.558 -2.012 240 HG23 ILE 30 3HG2 ILE 30 0.310 11.938 -2.481 241 HD11 ILE 30 1HD1 ILE 30 2.315 10.520 1.185 242 HD12 ILE 30 2HD1 ILE 30 1.131 11.390 2.164 243 HD13 ILE 30 3HD1 ILE 30 2.578 12.218 1.589 244 H TRP 31 H TRP 31 1.369 9.989 -3.779 245 HA TRP 31 HA TRP 31 3.879 10.435 -5.265 246 HB2 TRP 31 2HB TRP 31 3.364 8.117 -5.198 247 HB3 TRP 31 1HB TRP 31 1.692 8.419 -5.661 248 HD1 TRP 31 HD TRP 31 1.193 8.762 -8.218 249 HE1 TRP 31 1HE TRP 31 2.599 8.348 -10.349 250 HE3 TRP 31 3HE TRP 31 5.712 8.408 -6.004 251 HZ2 TRP 31 2HZ TRP 31 5.325 7.923 -10.951 252 HZ3 TRP 31 3HZ TRP 31 7.691 8.003 -7.405 253 HH2 TRP 31 HH TRP 31 7.491 7.768 -9.816 254 H ASP 32 H ASP 32 3.858 11.690 -7.025 255 HA ASP 32 HA ASP 32 1.250 12.658 -8.019 256 HB2 ASP 32 2HB ASP 32 2.517 14.460 -6.945 257 HB3 ASP 32 1HB ASP 32 3.909 14.109 -7.970 258 HA PRO 33 HA PRO 33 2.700 10.361 -11.612 259 HB2 PRO 33 2HB PRO 33 0.434 10.668 -13.062 260 HB3 PRO 33 1HB PRO 33 0.581 9.507 -11.737 261 HG2 PRO 33 2HG PRO 33 -0.657 12.235 -11.751 262 HG3 PRO 33 1HG PRO 33 -1.258 10.734 -11.017 263 HD2 PRO 33 2HD PRO 33 -0.018 12.663 -9.580 264 HD3 PRO 33 1HD PRO 33 0.103 10.940 -9.173 265 H SER 34 H SER 34 2.370 13.619 -11.317 266 HA SER 34 HA SER 34 2.540 14.203 -14.177 267 HB2 SER 34 2HB SER 34 2.791 16.477 -12.360 268 HB3 SER 34 1HB SER 34 1.650 16.212 -13.680 269 HG SER 34 HG SER 34 1.431 15.601 -10.961 270 H SER 35 H SER 35 4.521 13.785 -11.439 271 HA SER 35 HA SER 35 6.797 14.996 -12.858 272 HB2 SER 35 2HB SER 35 6.864 14.565 -9.898 273 HB3 SER 35 1HB SER 35 7.676 15.795 -10.867 274 HG SER 35 HG SER 35 4.852 15.744 -10.537 275 H LYS 36 H LYS 36 5.544 12.372 -10.953 276 HA LYS 36 HA LYS 36 5.984 10.168 -10.977 277 HB2 LYS 36 2HB LYS 36 6.846 10.558 -13.372 278 HB3 LYS 36 1HB LYS 36 8.452 10.532 -12.637 279 HG2 LYS 36 2HG LYS 36 8.060 8.346 -11.743 280 HG3 LYS 36 1HG LYS 36 6.392 8.375 -12.320 281 HD2 LYS 36 2HD LYS 36 8.868 8.425 -14.060 282 HD3 LYS 36 1HD LYS 36 7.804 7.039 -13.806 283 HE2 LYS 36 2HE LYS 36 5.952 8.250 -14.809 284 HE3 LYS 36 1HE LYS 36 6.972 9.675 -15.016 285 HZ1 LYS 36 1HZ LYS 36 7.439 7.036 -16.305 286 HZ2 LYS 36 2HZ LYS 36 8.353 8.446 -16.543 287 HZ3 LYS 36 3HZ LYS 36 6.744 8.388 -17.062 288 H MET 37 H MET 37 6.750 12.065 -9.267 289 HA MET 37 HA MET 37 8.943 10.824 -7.880 290 HB2 MET 37 2HB MET 37 8.218 13.782 -7.854 291 HB3 MET 37 1HB MET 37 9.569 13.028 -7.015 292 HG2 MET 37 2HG MET 37 10.400 12.323 -9.315 293 HG3 MET 37 1HG MET 37 9.209 13.445 -9.961 294 HE1 MET 37 1HE MET 37 9.151 15.917 -8.242 295 HE2 MET 37 2HE MET 37 9.448 16.019 -9.978 296 HE3 MET 37 3HE MET 37 10.481 16.902 -8.854 297 H TYR 38 H TYR 38 8.573 11.400 -5.479 298 HA TYR 38 HA TYR 38 5.740 11.512 -4.886 299 HB2 TYR 38 2HB TYR 38 5.944 9.550 -3.389 300 HB3 TYR 38 1HB TYR 38 6.195 9.133 -5.078 301 HD1 TYR 38 1HD TYR 38 8.335 8.334 -5.860 302 HD2 TYR 38 2HD TYR 38 7.799 9.540 -1.824 303 HE1 TYR 38 1HE TYR 38 10.466 7.263 -5.260 304 HE2 TYR 38 2HE TYR 38 9.916 8.468 -1.203 305 HH TYR 38 HH TYR 38 11.618 6.374 -3.368 306 H THR 39 H THR 39 5.522 11.745 -2.410 307 HA THR 39 HA THR 39 7.925 13.079 -1.377 308 HB THR 39 HB THR 39 6.635 14.725 -0.309 309 HG1 THR 39 1HG THR 39 4.746 13.225 0.004 310 HG21 THR 39 1HG2 THR 39 7.165 15.169 -2.628 311 HG22 THR 39 2HG2 THR 39 5.622 15.906 -2.190 312 HG23 THR 39 3HG2 THR 39 5.653 14.410 -3.125 313 H SER 40 H SER 40 8.754 11.920 0.124 314 HA SER 40 HA SER 40 7.119 10.178 1.780 315 HB2 SER 40 2HB SER 40 9.315 9.476 0.642 316 HB3 SER 40 1HB SER 40 10.125 10.460 1.856 317 HG SER 40 HG SER 40 9.440 9.102 3.433 318 H ILE 41 H ILE 41 7.777 10.112 4.147 319 HA ILE 41 HA ILE 41 8.440 12.811 5.139 320 HB ILE 41 HB ILE 41 6.470 11.213 6.700 321 HG12 ILE 41 2HG1 ILE 41 5.037 12.966 4.947 322 HG13 ILE 41 1HG1 ILE 41 5.977 11.828 3.988 323 HG21 ILE 41 1HG2 ILE 41 7.364 13.310 7.558 324 HG22 ILE 41 2HG2 ILE 41 5.628 13.437 7.263 325 HG23 ILE 41 3HG2 ILE 41 6.769 14.157 6.130 326 HD11 ILE 41 1HD1 ILE 41 3.998 11.148 6.141 327 HD12 ILE 41 2HD1 ILE 41 4.988 9.983 5.261 328 HD13 ILE 41 3HD1 ILE 41 3.785 10.943 4.402 329 HA PRO 42 HA PRO 42 11.151 10.290 7.618 330 HB2 PRO 42 2HB PRO 42 12.481 12.283 8.833 331 HB3 PRO 42 1HB PRO 42 12.716 11.909 7.121 332 HG2 PRO 42 2HG PRO 42 11.142 14.108 8.381 333 HG3 PRO 42 1HG PRO 42 12.115 14.131 6.904 334 HD2 PRO 42 2HD PRO 42 9.353 13.886 7.007 335 HD3 PRO 42 1HD PRO 42 10.373 13.432 5.628 336 H ASN 43 H ASN 43 10.235 9.223 9.228 337 HA ASN 43 HA ASN 43 9.930 10.455 11.808 338 HB2 ASN 43 2HB ASN 43 7.496 9.078 11.660 339 HB3 ASN 43 1HB ASN 43 7.716 10.817 11.763 340 HD21 ASN 43 1HD2 ASN 43 7.109 8.111 9.620 341 HD22 ASN 43 2HD2 ASN 43 6.530 9.070 8.292 342 H ASP 44 H ASP 44 9.037 7.602 9.900 343 HA ASP 44 HA ASP 44 10.569 5.935 11.741 344 HB2 ASP 44 2HB ASP 44 8.728 4.187 11.591 345 HB3 ASP 44 1HB ASP 44 8.394 5.576 12.611 346 H LYS 45 H LYS 45 11.802 4.503 10.731 347 HA LYS 45 HA LYS 45 11.335 4.086 7.852 348 HB2 LYS 45 2HB LYS 45 13.978 4.108 9.329 349 HB3 LYS 45 1HB LYS 45 13.766 3.820 7.609 350 HG2 LYS 45 2HG LYS 45 13.700 5.991 7.157 351 HG3 LYS 45 1HG LYS 45 12.535 6.298 8.445 352 HD2 LYS 45 2HD LYS 45 14.348 6.341 10.083 353 HD3 LYS 45 1HD LYS 45 15.518 6.003 8.804 354 HE2 LYS 45 2HE LYS 45 15.025 8.103 7.733 355 HE3 LYS 45 1HE LYS 45 13.716 8.420 8.873 356 HZ1 LYS 45 1HZ LYS 45 16.632 8.528 9.316 357 HZ2 LYS 45 2HZ LYS 45 15.590 8.230 10.619 358 HZ3 LYS 45 3HZ LYS 45 15.439 9.663 9.729 359 HA PRO 46 HA PRO 46 10.766 -0.192 8.838 360 HB2 PRO 46 2HB PRO 46 11.316 -1.203 6.342 361 HB3 PRO 46 1HB PRO 46 9.764 -0.499 6.814 362 HG2 PRO 46 2HG PRO 46 12.046 0.747 5.328 363 HG3 PRO 46 1HG PRO 46 10.304 0.876 5.021 364 HD2 PRO 46 2HD PRO 46 11.653 2.839 6.251 365 HD3 PRO 46 1HD PRO 46 9.989 2.429 6.718 366 H GLY 47 H GLY 47 13.605 0.640 6.859 367 HA2 GLY 47 2HA GLY 47 15.552 -0.282 8.535 368 HA3 GLY 47 1HA GLY 47 15.028 -1.717 7.669 369 H GLY 48 H GLY 48 16.396 1.495 7.304 370 HA2 GLY 48 2HA GLY 48 18.474 1.417 5.867 371 HA3 GLY 48 1HA GLY 48 17.429 0.672 4.664 372 H SER 49 H SER 49 18.514 2.676 3.575 373 HA SER 49 HA SER 49 18.234 4.696 2.567 374 HB2 SER 49 2HB SER 49 15.352 4.572 3.473 375 HB3 SER 49 1HB SER 49 16.009 5.368 2.041 376 HG SER 49 HG SER 49 16.614 2.717 2.122 377 H SER 50 H SER 50 19.372 4.902 4.974 378 HA SER 50 HA SER 50 17.992 6.928 6.529 379 HB2 SER 50 2HB SER 50 20.749 5.858 7.084 380 HB3 SER 50 1HB SER 50 19.566 6.495 8.227 381 HG SER 50 HG SER 50 18.274 4.562 7.296 382 H GLN 51 H GLN 51 18.883 7.596 3.839 383 HA GLN 51 HA GLN 51 20.988 9.571 4.411 384 HB2 GLN 51 2HB GLN 51 19.961 9.008 1.652 385 HB3 GLN 51 1HB GLN 51 21.534 9.606 2.144 386 HG2 GLN 51 2HG GLN 51 22.182 7.527 1.629 387 HG3 GLN 51 1HG GLN 51 21.606 7.162 3.256 388 HE21 GLN 51 1HE2 GLN 51 21.791 5.484 0.875 389 HE22 GLN 51 2HE2 GLN 51 20.193 4.892 0.580 390 H ALA 52 H ALA 52 17.884 9.193 2.751 391 HA ALA 52 HA ALA 52 17.491 12.074 2.711 392 HB1 ALA 52 1HB ALA 52 15.560 11.599 1.330 393 HB2 ALA 52 2HB ALA 52 15.726 9.873 1.649 394 HB3 ALA 52 3HB ALA 52 16.964 10.720 0.723 395 H THR 53 H THR 53 17.029 12.733 4.753 396 HA THR 53 HA THR 53 14.460 11.860 5.818 397 HB THR 53 HB THR 53 16.407 10.548 6.892 398 HG1 THR 53 1HG THR 53 14.832 12.004 8.750 399 HG21 THR 53 1HG2 THR 53 17.526 11.676 8.752 400 HG22 THR 53 2HG2 THR 53 16.752 13.194 8.301 401 HG23 THR 53 3HG2 THR 53 17.919 12.445 7.214 402 H LYS 54 H LYS 54 16.261 14.298 4.782 403 HA LYS 54 HA LYS 54 15.123 16.208 6.712 404 HB2 LYS 54 2HB LYS 54 17.808 16.206 5.364 405 HB3 LYS 54 1HB LYS 54 17.072 17.709 5.902 406 HG2 LYS 54 2HG LYS 54 16.892 16.680 8.189 407 HG3 LYS 54 1HG LYS 54 17.900 15.361 7.586 408 HD2 LYS 54 2HD LYS 54 18.684 18.269 7.487 409 HD3 LYS 54 1HD LYS 54 19.153 17.171 8.786 410 HE2 LYS 54 2HE LYS 54 20.415 15.817 7.290 411 HE3 LYS 54 1HE LYS 54 19.757 16.649 5.880 412 HZ1 LYS 54 1HZ LYS 54 22.019 17.315 7.456 413 HZ2 LYS 54 2HZ LYS 54 20.919 18.606 7.445 414 HZ3 LYS 54 3HZ LYS 54 21.505 17.983 5.981 415 H GLU 55 H GLU 55 13.524 17.230 5.821 416 HA GLU 55 HA GLU 55 12.136 18.220 4.329 417 HB2 GLU 55 2HB GLU 55 14.610 19.170 2.897 418 HB3 GLU 55 1HB GLU 55 13.054 19.976 3.021 419 HG2 GLU 55 2HG GLU 55 15.010 19.546 5.270 420 HG3 GLU 55 1HG GLU 55 14.725 21.057 4.414 421 H ILE 56 H ILE 56 11.322 16.310 3.505 422 HA ILE 56 HA ILE 56 12.521 15.079 1.195 423 HB ILE 56 HB ILE 56 9.844 14.537 2.439 424 HG12 ILE 56 2HG1 ILE 56 11.660 14.111 4.027 425 HG13 ILE 56 1HG1 ILE 56 10.975 12.590 3.464 426 HG21 ILE 56 1HG2 ILE 56 9.995 13.821 0.112 427 HG22 ILE 56 2HG2 ILE 56 9.983 12.429 1.193 428 HG23 ILE 56 3HG2 ILE 56 11.498 12.962 0.464 429 HD11 ILE 56 1HD1 ILE 56 13.548 13.835 2.511 430 HD12 ILE 56 2HD1 ILE 56 12.861 12.320 1.926 431 HD13 ILE 56 3HD1 ILE 56 13.395 12.458 3.605 432 H LYS 57 H LYS 57 12.544 16.544 -0.394 433 HA LYS 57 HA LYS 57 10.120 17.771 -1.361 434 HB2 LYS 57 2HB LYS 57 13.006 17.747 -2.171 435 HB3 LYS 57 1HB LYS 57 11.810 18.191 -3.383 436 HG2 LYS 57 2HG LYS 57 12.425 20.237 -2.518 437 HG3 LYS 57 1HG LYS 57 10.973 19.862 -1.584 438 HD2 LYS 57 2HD LYS 57 12.276 19.171 0.294 439 HD3 LYS 57 1HD LYS 57 13.769 19.255 -0.642 440 HE2 LYS 57 2HE LYS 57 12.002 21.613 0.010 441 HE3 LYS 57 1HE LYS 57 13.470 21.180 0.888 442 HZ1 LYS 57 1HZ LYS 57 14.640 21.377 -1.314 443 HZ2 LYS 57 2HZ LYS 57 14.078 22.831 -0.650 444 HZ3 LYS 57 3HZ LYS 57 13.230 22.098 -1.924 445 HA PRO 58 HA PRO 58 8.659 14.593 -4.065 446 HB2 PRO 58 2HB PRO 58 8.814 15.807 -6.581 447 HB3 PRO 58 1HB PRO 58 7.449 15.918 -5.464 448 HG2 PRO 58 2HG PRO 58 9.697 17.832 -5.916 449 HG3 PRO 58 1HG PRO 58 7.984 18.165 -5.595 450 HD2 PRO 58 2HD PRO 58 9.816 18.449 -3.681 451 HD3 PRO 58 1HD PRO 58 8.214 17.778 -3.308 452 H GLN 59 H GLN 59 10.080 12.948 -4.135 453 HA GLN 59 HA GLN 59 12.387 13.204 -5.949 454 HB2 GLN 59 2HB GLN 59 12.026 11.610 -3.423 455 HB3 GLN 59 1HB GLN 59 13.302 11.243 -4.575 456 HG2 GLN 59 2HG GLN 59 14.389 13.263 -4.203 457 HG3 GLN 59 1HG GLN 59 12.962 14.010 -3.489 458 HE21 GLN 59 1HE2 GLN 59 12.387 13.477 -1.369 459 HE22 GLN 59 2HE2 GLN 59 13.529 12.788 -0.271 460 H LYS 60 H LYS 60 12.697 11.730 -7.509 461 HA LYS 60 HA LYS 60 10.473 10.326 -8.490 462 HB2 LYS 60 2HB LYS 60 12.175 11.452 -9.910 463 HB3 LYS 60 1HB LYS 60 13.344 10.232 -9.424 464 HG2 LYS 60 2HG LYS 60 12.190 8.532 -10.568 465 HG3 LYS 60 1HG LYS 60 10.757 9.536 -10.774 466 HD2 LYS 60 2HD LYS 60 13.432 10.195 -11.979 467 HD3 LYS 60 1HD LYS 60 12.199 9.258 -12.819 468 HE2 LYS 60 2HE LYS 60 10.779 11.076 -13.028 469 HE3 LYS 60 1HE LYS 60 11.485 11.915 -11.648 470 HZ1 LYS 60 1HZ LYS 60 13.420 12.435 -12.928 471 HZ2 LYS 60 2HZ LYS 60 12.058 12.910 -13.825 472 HZ3 LYS 60 3HZ LYS 60 12.890 11.488 -14.234 473 H LEU 61 H LEU 61 10.149 8.211 -8.739 474 HA LEU 61 HA LEU 61 10.799 6.457 -6.717 475 HB2 LEU 61 2HB LEU 61 9.860 6.097 -9.514 476 HB3 LEU 61 1HB LEU 61 10.281 4.690 -8.562 477 HG LEU 61 HG LEU 61 8.130 6.718 -7.982 478 HD11 LEU 61 1HD1 LEU 61 7.572 5.100 -9.687 479 HD12 LEU 61 2HD1 LEU 61 6.699 4.719 -8.204 480 HD13 LEU 61 3HD1 LEU 61 8.120 3.776 -8.660 481 HD21 LEU 61 1HD2 LEU 61 9.258 6.091 -5.924 482 HD22 LEU 61 2HD2 LEU 61 9.079 4.381 -6.325 483 HD23 LEU 61 3HD2 LEU 61 7.651 5.365 -6.003 484 H GLY 62 H GLY 62 12.699 5.684 -6.153 485 HA2 GLY 62 2HA GLY 62 14.910 5.449 -7.917 486 HA3 GLY 62 1HA GLY 62 14.792 4.729 -6.311 487 H GLU 63 H GLU 63 16.005 3.312 -8.364 488 HA GLU 63 HA GLU 63 14.127 1.556 -9.655 489 HB2 GLU 63 2HB GLU 63 17.052 0.966 -9.303 490 HB3 GLU 63 1HB GLU 63 15.988 0.516 -10.630 491 HG2 GLU 63 2HG GLU 63 15.815 2.892 -11.245 492 HG3 GLU 63 1HG GLU 63 16.985 3.269 -9.981 493 H ASP 64 H ASP 64 14.161 1.780 -6.713 494 HA ASP 64 HA ASP 64 14.428 -1.089 -6.077 495 HB2 ASP 64 2HB ASP 64 15.207 1.330 -4.489 496 HB3 ASP 64 1HB ASP 64 14.659 -0.108 -3.636 497 H GLU 65 H GLU 65 12.292 1.210 -6.779 498 HA GLU 65 HA GLU 65 10.322 0.262 -4.812 499 HB2 GLU 65 2HB GLU 65 10.828 2.955 -5.973 500 HB3 GLU 65 1HB GLU 65 9.179 2.521 -5.520 501 HG2 GLU 65 2HG GLU 65 9.824 2.159 -3.255 502 HG3 GLU 65 1HG GLU 65 11.534 2.295 -3.661 503 H SER 66 H SER 66 9.999 2.025 -7.848 504 HA SER 66 HA SER 66 8.814 1.658 -9.734 505 HB2 SER 66 2HB SER 66 9.057 -1.283 -9.080 506 HB3 SER 66 1HB SER 66 8.759 -0.569 -10.662 507 HG SER 66 HG SER 66 11.037 -1.240 -9.894 508 H ILE 67 H ILE 67 6.881 2.523 -9.318 509 HA ILE 67 HA ILE 67 4.837 1.204 -7.777 510 HB ILE 67 HB ILE 67 4.892 3.731 -9.419 511 HG12 ILE 67 2HG1 ILE 67 4.553 3.192 -6.471 512 HG13 ILE 67 1HG1 ILE 67 6.002 3.819 -7.251 513 HG21 ILE 67 1HG2 ILE 67 2.543 2.652 -7.879 514 HG22 ILE 67 2HG2 ILE 67 2.669 2.743 -9.637 515 HG23 ILE 67 3HG2 ILE 67 2.641 4.222 -8.678 516 HD11 ILE 67 1HD1 ILE 67 4.719 5.566 -6.136 517 HD12 ILE 67 2HD1 ILE 67 3.336 5.198 -7.167 518 HD13 ILE 67 3HD1 ILE 67 4.819 5.834 -7.877 519 HA PRO 68 HA PRO 68 3.007 -1.221 -11.097 520 HB2 PRO 68 2HB PRO 68 0.468 -0.353 -9.795 521 HB3 PRO 68 1HB PRO 68 0.998 -1.976 -10.252 522 HG2 PRO 68 2HG PRO 68 1.045 -1.209 -7.709 523 HG3 PRO 68 1HG PRO 68 2.341 -2.214 -8.385 524 HD2 PRO 68 2HD PRO 68 2.343 0.696 -7.719 525 HD3 PRO 68 1HD PRO 68 3.659 -0.491 -7.606 526 H GLU 69 H GLU 69 2.669 -0.496 -13.128 527 HA GLU 69 HA GLU 69 2.280 2.202 -13.748 528 HB2 GLU 69 2HB GLU 69 2.237 -0.326 -15.309 529 HB3 GLU 69 1HB GLU 69 1.619 1.129 -16.073 530 HG2 GLU 69 2HG GLU 69 3.740 2.261 -15.642 531 HG3 GLU 69 1HG GLU 69 4.363 0.801 -14.882 532 H GLU 70 H GLU 70 -0.056 -0.041 -12.766 533 HA GLU 70 HA GLU 70 -2.229 1.183 -14.225 534 HB2 GLU 70 2HB GLU 70 -3.671 -0.382 -13.058 535 HB3 GLU 70 1HB GLU 70 -2.276 -1.225 -13.710 536 HG2 GLU 70 2HG GLU 70 -1.325 -1.526 -11.608 537 HG3 GLU 70 1HG GLU 70 -2.325 -0.276 -10.873 538 H ILE 71 H ILE 71 -0.556 1.815 -11.297 539 HA ILE 71 HA ILE 71 -2.788 3.542 -10.419 540 HB ILE 71 HB ILE 71 -2.118 3.305 -8.136 541 HG12 ILE 71 2HG1 ILE 71 0.109 1.459 -9.008 542 HG13 ILE 71 1HG1 ILE 71 0.360 3.169 -8.680 543 HG21 ILE 71 1HG2 ILE 71 -2.450 0.885 -7.789 544 HG22 ILE 71 2HG2 ILE 71 -2.150 0.622 -9.509 545 HG23 ILE 71 3HG2 ILE 71 -3.554 1.554 -8.992 546 HD11 ILE 71 1HD1 ILE 71 -0.647 1.132 -6.708 547 HD12 ILE 71 2HD1 ILE 71 -0.370 2.845 -6.383 548 HD13 ILE 71 3HD1 ILE 71 0.988 1.790 -6.784 549 H ILE 72 H ILE 72 0.477 3.369 -11.364 550 HA ILE 72 HA ILE 72 1.752 5.498 -10.151 551 HB ILE 72 HB ILE 72 2.601 3.738 -11.747 552 HG12 ILE 72 2HG1 ILE 72 3.750 5.962 -10.802 553 HG13 ILE 72 1HG1 ILE 72 4.599 4.824 -11.839 554 HG21 ILE 72 1HG2 ILE 72 1.799 5.783 -13.793 555 HG22 ILE 72 2HG2 ILE 72 1.238 4.113 -13.666 556 HG23 ILE 72 3HG2 ILE 72 2.912 4.449 -14.100 557 HD11 ILE 72 1HD1 ILE 72 4.128 6.224 -13.773 558 HD12 ILE 72 2HD1 ILE 72 4.965 7.139 -12.518 559 HD13 ILE 72 3HD1 ILE 72 3.229 7.345 -12.752 560 H ASN 73 H ASN 73 -0.624 5.604 -12.717 561 HA ASN 73 HA ASN 73 -0.084 8.456 -13.102 562 HB2 ASN 73 2HB ASN 73 -0.442 6.577 -14.947 563 HB3 ASN 73 1HB ASN 73 -2.127 7.019 -14.704 564 HD21 ASN 73 1HD2 ASN 73 0.974 8.058 -15.842 565 HD22 ASN 73 2HD2 ASN 73 0.433 9.489 -16.636 566 H GLY 74 H GLY 74 -1.622 6.960 -10.860 567 HA2 GLY 74 2HA GLY 74 -3.971 8.789 -11.010 568 HA3 GLY 74 1HA GLY 74 -4.149 7.131 -10.474 569 H LYS 75 H LYS 75 -1.519 9.316 -9.601 570 HA LYS 75 HA LYS 75 -0.756 10.077 -7.587 571 HB2 LYS 75 2HB LYS 75 -3.192 11.125 -7.869 572 HB3 LYS 75 1HB LYS 75 -3.499 10.167 -6.436 573 HG2 LYS 75 2HG LYS 75 -2.805 12.010 -5.363 574 HG3 LYS 75 1HG LYS 75 -1.186 11.415 -5.759 575 HD2 LYS 75 2HD LYS 75 -1.248 12.732 -7.849 576 HD3 LYS 75 1HD LYS 75 -2.825 13.369 -7.384 577 HE2 LYS 75 2HE LYS 75 -1.815 14.397 -5.400 578 HE3 LYS 75 1HE LYS 75 -0.239 13.758 -5.873 579 HZ1 LYS 75 1HZ LYS 75 -0.167 15.140 -7.757 580 HZ2 LYS 75 2HZ LYS 75 -0.731 16.151 -6.514 581 HZ3 LYS 75 3HZ LYS 75 -1.817 15.523 -7.656 582 H CYS 76 H CYS 76 0.337 8.590 -6.510 583 HA CYS 76 HA CYS 76 -1.188 6.366 -5.327 584 HB2 CYS 76 2HB CYS 76 1.795 6.395 -5.699 585 HB3 CYS 76 1HB CYS 76 0.734 5.010 -5.465 586 HG CYS 76 HG CYS 76 -0.535 5.891 -8.080 587 H PHE 77 H PHE 77 -0.141 5.427 -3.367 588 HA PHE 77 HA PHE 77 1.084 7.413 -1.623 589 HB2 PHE 77 2HB PHE 77 -1.478 5.937 -0.974 590 HB3 PHE 77 1HB PHE 77 -0.528 6.848 0.196 591 HD1 PHE 77 1HD PHE 77 -0.051 9.315 -0.423 592 HD2 PHE 77 2HD PHE 77 -3.200 6.998 -2.094 593 HE1 PHE 77 1HE PHE 77 -1.226 11.378 -1.050 594 HE2 PHE 77 2HE PHE 77 -4.383 9.063 -2.723 595 HZ PHE 77 HZ PHE 77 -3.387 11.257 -2.223 596 H PHE 78 H PHE 78 2.853 6.458 -0.913 597 HA PHE 78 HA PHE 78 2.938 3.548 -0.746 598 HB2 PHE 78 2HB PHE 78 4.943 4.782 -1.559 599 HB3 PHE 78 1HB PHE 78 5.085 5.543 0.026 600 HD1 PHE 78 1HD PHE 78 6.055 4.420 1.846 601 HD2 PHE 78 2HD PHE 78 5.252 2.309 -1.754 602 HE1 PHE 78 1HE PHE 78 7.349 2.507 2.688 603 HE2 PHE 78 2HE PHE 78 6.553 0.389 -0.921 604 HZ PHE 78 HZ PHE 78 7.600 0.490 1.301 605 H ILE 79 H ILE 79 1.935 2.715 0.900 606 HA ILE 79 HA ILE 79 2.068 4.118 3.483 607 HB ILE 79 HB ILE 79 0.045 3.128 4.129 608 HG12 ILE 79 2HG1 ILE 79 0.713 1.221 1.964 609 HG13 ILE 79 1HG1 ILE 79 0.013 0.928 3.551 610 HG21 ILE 79 1HG2 ILE 79 -0.243 3.900 1.217 611 HG22 ILE 79 2HG2 ILE 79 -0.236 5.009 2.589 612 HG23 ILE 79 3HG2 ILE 79 -1.544 3.839 2.408 613 HD11 ILE 79 1HD1 ILE 79 -1.426 1.969 1.133 614 HD12 ILE 79 2HD1 ILE 79 -2.142 1.745 2.728 615 HD13 ILE 79 3HD1 ILE 79 -1.550 0.353 1.823 616 H HIS 80 H HIS 80 1.846 2.827 5.271 617 HA HIS 80 HA HIS 80 3.043 0.183 5.152 618 HB2 HIS 80 2HB HIS 80 4.923 1.425 5.764 619 HB3 HIS 80 1HB HIS 80 3.971 2.630 6.617 620 HD1 HIS 80 1HD HIS 80 5.757 -0.591 7.076 621 HD2 HIS 80 2HD HIS 80 3.234 1.935 9.210 622 HE1 HIS 80 1HE HIS 80 5.997 -1.290 9.493 623 HE2 HIS 80 2HE HIS 80 4.637 0.396 10.790 624 H TYR 81 H TYR 81 1.173 -0.785 5.544 625 HA TYR 81 HA TYR 81 -1.089 0.003 6.737 626 HB2 TYR 81 2HB TYR 81 0.202 -2.701 6.656 627 HB3 TYR 81 1HB TYR 81 -1.373 -2.467 7.415 628 HD1 TYR 81 1HD TYR 81 -3.316 -1.859 6.100 629 HD2 TYR 81 2HD TYR 81 0.456 -2.473 4.234 630 HE1 TYR 81 1HE TYR 81 -4.419 -1.955 3.910 631 HE2 TYR 81 2HE TYR 81 -0.645 -2.583 2.036 632 HH TYR 81 HH TYR 81 -3.233 -3.244 1.301 633 H GLN 82 H GLN 82 -1.798 0.582 8.601 634 HA GLN 82 HA GLN 82 -0.077 0.780 10.879 635 HB2 GLN 82 2HB GLN 82 -2.305 2.126 9.972 636 HB3 GLN 82 1HB GLN 82 -2.935 1.221 11.340 637 HG2 GLN 82 2HG GLN 82 -1.056 2.172 12.706 638 HG3 GLN 82 1HG GLN 82 -0.697 3.223 11.339 639 HE21 GLN 82 1HE2 GLN 82 -3.899 2.228 12.380 640 HE22 GLN 82 2HE2 GLN 82 -4.428 3.802 12.857 641 H GLY 83 H GLY 83 0.144 -0.615 12.509 642 HA2 GLY 83 2HA GLY 83 -0.532 -2.189 14.099 643 HA3 GLY 83 1HA GLY 83 -2.030 -2.418 13.212 644 H TRP 84 H TRP 84 0.475 -2.503 11.062 645 HA TRP 84 HA TRP 84 0.632 -5.428 11.243 646 HB2 TRP 84 2HB TRP 84 0.459 -3.627 8.837 647 HB3 TRP 84 1HB TRP 84 1.020 -5.293 8.717 648 HD1 TRP 84 HD TRP 84 -2.029 -3.364 8.347 649 HE1 TRP 84 1HE TRP 84 -4.124 -4.843 8.534 650 HE3 TRP 84 3HE TRP 84 0.102 -7.543 10.377 651 HZ2 TRP 84 2HZ TRP 84 -4.789 -7.438 9.423 652 HZ3 TRP 84 3HZ TRP 84 -1.333 -9.477 10.869 653 HH2 TRP 84 HH TRP 84 -3.730 -9.428 10.404 654 H LYS 85 H LYS 85 2.533 -5.887 9.369 655 HA LYS 85 HA LYS 85 4.941 -4.912 10.723 656 HB2 LYS 85 2HB LYS 85 4.683 -7.304 10.760 657 HB3 LYS 85 1HB LYS 85 4.367 -7.353 9.034 658 HG2 LYS 85 2HG LYS 85 6.601 -7.004 8.492 659 HG3 LYS 85 1HG LYS 85 6.991 -6.383 10.095 660 HD2 LYS 85 2HD LYS 85 6.203 -9.233 9.482 661 HD3 LYS 85 1HD LYS 85 7.859 -8.670 9.721 662 HE2 LYS 85 2HE LYS 85 7.367 -8.040 11.991 663 HE3 LYS 85 1HE LYS 85 5.659 -8.417 11.766 664 HZ1 LYS 85 1HZ LYS 85 7.093 -10.126 12.946 665 HZ2 LYS 85 2HZ LYS 85 7.763 -10.471 11.424 666 HZ3 LYS 85 3HZ LYS 85 6.104 -10.693 11.694 667 H SER 86 H SER 86 6.899 -4.626 9.323 668 HA SER 86 HA SER 86 6.458 -2.717 7.320 669 HB2 SER 86 2HB SER 86 9.048 -4.171 7.378 670 HB3 SER 86 1HB SER 86 8.722 -2.436 7.362 671 HG SER 86 HG SER 86 9.545 -3.329 9.399 672 H SER 87 H SER 87 6.183 -6.060 7.115 673 HA SER 87 HA SER 87 7.057 -6.352 4.391 674 HB2 SER 87 2HB SER 87 5.552 -8.546 4.806 675 HB3 SER 87 1HB SER 87 7.207 -8.403 5.405 676 HG SER 87 HG SER 87 4.942 -8.692 6.804 677 H TRP 88 H TRP 88 4.671 -4.652 5.653 678 HA TRP 88 HA TRP 88 2.690 -5.325 3.605 679 HB2 TRP 88 2HB TRP 88 2.445 -3.990 6.292 680 HB3 TRP 88 1HB TRP 88 1.202 -3.784 5.064 681 HD1 TRP 88 HD TRP 88 2.878 -6.607 7.106 682 HE1 TRP 88 1HE TRP 88 1.181 -8.527 7.376 683 HE3 TRP 88 3HE TRP 88 -0.891 -4.766 4.186 684 HZ2 TRP 88 2HZ TRP 88 -1.422 -9.161 6.477 685 HZ3 TRP 88 3HZ TRP 88 -2.953 -6.086 3.950 686 HH2 TRP 88 HH TRP 88 -3.211 -8.239 5.068 687 H ASP 89 H ASP 89 5.243 -3.424 3.971 688 HA ASP 89 HA ASP 89 4.293 -0.834 3.276 689 HB2 ASP 89 2HB ASP 89 6.991 -2.177 3.118 690 HB3 ASP 89 1HB ASP 89 6.747 -0.562 2.478 691 H GLU 90 H GLU 90 3.118 -0.597 1.483 692 HA GLU 90 HA GLU 90 4.315 -1.380 -1.053 693 HB2 GLU 90 2HB GLU 90 2.636 -3.154 -0.075 694 HB3 GLU 90 1HB GLU 90 1.420 -2.027 -0.660 695 HG2 GLU 90 2HG GLU 90 1.802 -3.716 -2.315 696 HG3 GLU 90 1HG GLU 90 2.413 -2.174 -2.910 697 H TRP 91 H TRP 91 2.700 -0.603 -2.866 698 HA TRP 91 HA TRP 91 2.115 2.209 -2.270 699 HB2 TRP 91 2HB TRP 91 2.828 0.703 -4.762 700 HB3 TRP 91 1HB TRP 91 1.996 2.246 -4.877 701 HD1 TRP 91 HD TRP 91 5.380 0.738 -4.376 702 HE1 TRP 91 1HE TRP 91 7.127 2.615 -4.188 703 HE3 TRP 91 3HE TRP 91 2.238 4.722 -3.812 704 HZ2 TRP 91 2HZ TRP 91 7.159 5.421 -3.885 705 HZ3 TRP 91 3HZ TRP 91 3.210 6.968 -3.576 706 HH2 TRP 91 HH TRP 91 5.626 7.308 -3.603 707 H VAL 92 H VAL 92 0.101 2.961 -2.296 708 HA VAL 92 HA VAL 92 -1.961 1.374 -3.673 709 HB VAL 92 HB VAL 92 -3.637 2.353 -2.108 710 HG11 VAL 92 1HG1 VAL 92 -1.473 0.655 -0.871 711 HG12 VAL 92 2HG1 VAL 92 -2.870 0.086 -1.786 712 HG13 VAL 92 3HG1 VAL 92 -3.099 0.863 -0.220 713 HG21 VAL 92 1HG2 VAL 92 -1.202 3.244 -0.568 714 HG22 VAL 92 2HG2 VAL 92 -2.862 3.282 0.025 715 HG23 VAL 92 3HG2 VAL 92 -2.393 4.287 -1.345 716 H GLY 93 H GLY 93 -3.996 3.109 -3.817 717 HA2 GLY 93 2HA GLY 93 -3.083 5.733 -4.625 718 HA3 GLY 93 1HA GLY 93 -3.562 4.699 -5.970 719 H TYR 94 H TYR 94 -5.009 6.979 -5.600 720 HA TYR 94 HA TYR 94 -7.162 6.934 -3.831 721 HB2 TYR 94 2HB TYR 94 -6.796 8.102 -6.566 722 HB3 TYR 94 1HB TYR 94 -8.321 8.280 -5.703 723 HD1 TYR 94 1HD TYR 94 -7.764 8.927 -3.049 724 HD2 TYR 94 2HD TYR 94 -5.512 9.965 -6.495 725 HE1 TYR 94 1HE TYR 94 -6.842 10.857 -1.855 726 HE2 TYR 94 2HE TYR 94 -4.572 11.888 -5.314 727 HH TYR 94 HH TYR 94 -4.712 12.290 -2.025 728 H ASP 95 H ASP 95 -6.535 4.778 -6.225 729 HA ASP 95 HA ASP 95 -9.275 4.201 -7.003 730 HB2 ASP 95 2HB ASP 95 -7.572 4.001 -8.710 731 HB3 ASP 95 1HB ASP 95 -6.635 2.900 -7.706 732 H ARG 96 H ARG 96 -6.841 3.054 -4.798 733 HA ARG 96 HA ARG 96 -8.632 0.843 -4.013 734 HB2 ARG 96 2HB ARG 96 -5.727 0.737 -3.333 735 HB3 ARG 96 1HB ARG 96 -6.837 -0.574 -3.706 736 HG2 ARG 96 2HG ARG 96 -6.539 1.003 -6.048 737 HG3 ARG 96 1HG ARG 96 -4.933 0.684 -5.393 738 HD2 ARG 96 2HD ARG 96 -5.028 -1.509 -5.885 739 HD3 ARG 96 1HD ARG 96 -6.726 -1.645 -5.427 740 HE ARG 96 HE ARG 96 -7.232 -0.603 -7.633 741 HH11 ARG 96 1HH1 ARG 96 -4.139 -2.235 -7.189 742 HH12 ARG 96 2HH1 ARG 96 -3.979 -2.640 -8.870 743 HH21 ARG 96 1HH2 ARG 96 -6.990 -1.137 -9.833 744 HH22 ARG 96 2HH2 ARG 96 -5.579 -2.008 -10.367 745 H ILE 97 H ILE 97 -6.994 3.689 -3.112 746 HA ILE 97 HA ILE 97 -7.128 3.115 -0.261 747 HB ILE 97 HB ILE 97 -5.141 4.290 -1.443 748 HG12 ILE 97 2HG1 ILE 97 -6.411 5.447 1.025 749 HG13 ILE 97 1HG1 ILE 97 -5.305 4.081 0.955 750 HG21 ILE 97 1HG2 ILE 97 -5.324 6.743 -1.470 751 HG22 ILE 97 2HG2 ILE 97 -7.059 6.587 -1.178 752 HG23 ILE 97 3HG2 ILE 97 -6.356 5.959 -2.666 753 HD11 ILE 97 1HD1 ILE 97 -4.613 6.917 0.203 754 HD12 ILE 97 2HD1 ILE 97 -3.513 5.538 0.225 755 HD13 ILE 97 3HD1 ILE 97 -4.210 6.132 1.731 756 H ARG 98 H ARG 98 -8.402 4.154 1.138 757 HA ARG 98 HA ARG 98 -10.382 6.077 0.127 758 HB2 ARG 98 2HB ARG 98 -10.940 3.893 2.149 759 HB3 ARG 98 1HB ARG 98 -12.094 5.068 1.533 760 HG2 ARG 98 2HG ARG 98 -10.855 2.744 0.096 761 HG3 ARG 98 1HG ARG 98 -12.557 3.043 0.430 762 HD2 ARG 98 2HD ARG 98 -10.788 4.566 -1.482 763 HD3 ARG 98 1HD ARG 98 -12.094 3.465 -1.904 764 HE ARG 98 HE ARG 98 -13.575 5.156 -0.742 765 HH11 ARG 98 1HH1 ARG 98 -10.527 6.083 -2.211 766 HH12 ARG 98 2HH1 ARG 98 -11.077 7.669 -2.647 767 HH21 ARG 98 1HH2 ARG 98 -14.300 7.235 -1.323 768 HH22 ARG 98 2HH2 ARG 98 -13.218 8.354 -2.111 769 H ALA 99 H ALA 99 -11.569 6.706 2.562 770 HA ALA 99 HA ALA 99 -9.315 7.967 3.923 771 HB1 ALA 99 1HB ALA 99 -10.892 9.524 2.830 772 HB2 ALA 99 2HB ALA 99 -10.870 9.712 4.583 773 HB3 ALA 99 3HB ALA 99 -12.200 8.852 3.805 774 H TYR 100 H TYR 100 -9.062 7.578 5.998 775 HA TYR 100 HA TYR 100 -10.730 5.572 7.243 776 HB2 TYR 100 2HB TYR 100 -8.317 5.409 7.314 777 HB3 TYR 100 1HB TYR 100 -8.203 7.005 8.005 778 HD1 TYR 100 1HD TYR 100 -8.848 3.477 8.631 779 HD2 TYR 100 2HD TYR 100 -8.686 7.334 10.414 780 HE1 TYR 100 1HE TYR 100 -8.762 2.439 10.855 781 HE2 TYR 100 2HE TYR 100 -8.613 6.304 12.647 782 HH TYR 100 HH TYR 100 -8.120 2.901 13.082 783 H ASN 101 H ASN 101 -12.625 6.552 7.723 784 HA ASN 101 HA ASN 101 -12.594 8.489 9.879 785 HB2 ASN 101 2HB ASN 101 -14.320 9.897 8.695 786 HB3 ASN 101 1HB ASN 101 -12.691 10.004 8.040 787 HD21 ASN 101 1HD2 ASN 101 -12.900 10.348 5.945 788 HD22 ASN 101 2HD2 ASN 101 -13.911 9.436 4.874 789 H GLU 102 H GLU 102 -15.133 9.010 10.297 790 HA GLU 102 HA GLU 102 -16.089 6.507 11.263 791 HB2 GLU 102 2HB GLU 102 -17.415 9.219 11.288 792 HB3 GLU 102 1HB GLU 102 -17.927 7.814 12.221 793 HG2 GLU 102 2HG GLU 102 -15.742 7.819 13.364 794 HG3 GLU 102 1HG GLU 102 -15.302 9.275 12.472 795 H GLU 103 H GLU 103 -16.400 7.809 8.213 796 HA GLU 103 HA GLU 103 -19.073 6.694 7.822 797 HB2 GLU 103 2HB GLU 103 -18.664 8.894 6.849 798 HB3 GLU 103 1HB GLU 103 -17.309 8.256 5.927 799 HG2 GLU 103 2HG GLU 103 -18.733 6.936 4.574 800 HG3 GLU 103 1HG GLU 103 -20.114 7.223 5.626 801 H ASN 104 H ASN 104 -15.739 6.286 6.664 802 HA ASN 104 HA ASN 104 -16.490 4.044 4.986 803 HB2 ASN 104 2HB ASN 104 -14.010 5.597 5.495 804 HB3 ASN 104 1HB ASN 104 -13.812 3.933 4.950 805 HD21 ASN 104 1HD2 ASN 104 -14.447 3.366 2.896 806 HD22 ASN 104 2HD2 ASN 104 -14.844 4.537 1.690 807 H ILE 105 H ILE 105 -14.886 4.609 8.038 808 HA ILE 105 HA ILE 105 -13.987 1.970 8.480 809 HB ILE 105 HB ILE 105 -14.642 4.173 10.383 810 HG12 ILE 105 2HG1 ILE 105 -11.978 3.145 9.404 811 HG13 ILE 105 1HG1 ILE 105 -12.792 4.565 8.753 812 HG21 ILE 105 1HG2 ILE 105 -13.319 2.920 12.030 813 HG22 ILE 105 2HG2 ILE 105 -13.209 1.579 10.892 814 HG23 ILE 105 3HG2 ILE 105 -14.778 2.056 11.543 815 HD11 ILE 105 1HD1 ILE 105 -11.929 4.215 11.597 816 HD12 ILE 105 2HD1 ILE 105 -12.670 5.652 10.893 817 HD13 ILE 105 3HD1 ILE 105 -11.066 5.135 10.366 818 H ALA 106 H ALA 106 -16.984 3.658 8.944 819 HA ALA 106 HA ALA 106 -18.257 1.996 10.781 820 HB1 ALA 106 1HB ALA 106 -19.160 4.168 10.098 821 HB2 ALA 106 2HB ALA 106 -20.353 2.886 9.889 822 HB3 ALA 106 3HB ALA 106 -19.490 3.526 8.489 823 H MET 107 H MET 107 -17.694 1.742 7.357 824 HA MET 107 HA MET 107 -19.347 -0.599 7.067 825 HB2 MET 107 2HB MET 107 -18.671 1.194 5.238 826 HB3 MET 107 1HB MET 107 -17.273 0.143 5.044 827 HG2 MET 107 2HG MET 107 -19.165 -0.299 3.490 828 HG3 MET 107 1HG MET 107 -18.611 -1.686 4.426 829 HE1 MET 107 1HE MET 107 -21.181 -2.104 3.018 830 HE2 MET 107 2HE MET 107 -22.330 -2.609 4.260 831 HE3 MET 107 3HE MET 107 -20.676 -3.224 4.286 832 H LYS 108 H LYS 108 -15.880 0.156 7.234 833 HA LYS 108 HA LYS 108 -14.746 -2.289 6.733 834 HB2 LYS 108 2HB LYS 108 -13.519 -0.168 7.063 835 HB3 LYS 108 1HB LYS 108 -13.845 -0.259 8.786 836 HG2 LYS 108 2HG LYS 108 -12.594 -2.664 7.735 837 HG3 LYS 108 1HG LYS 108 -11.619 -1.210 7.517 838 HD2 LYS 108 2HD LYS 108 -12.558 -0.960 10.094 839 HD3 LYS 108 1HD LYS 108 -12.258 -2.694 9.943 840 HE2 LYS 108 2HE LYS 108 -10.033 -1.638 8.773 841 HE3 LYS 108 1HE LYS 108 -10.380 -0.440 10.022 842 HZ1 LYS 108 1HZ LYS 108 -10.241 -3.352 10.587 843 HZ2 LYS 108 2HZ LYS 108 -10.241 -2.070 11.697 844 HZ3 LYS 108 3HZ LYS 108 -8.895 -2.328 10.699 845 H LYS 109 H LYS 109 -15.958 -1.051 9.793 846 HA LYS 109 HA LYS 109 -15.294 -3.253 11.418 847 HB2 LYS 109 2HB LYS 109 -17.795 -1.603 11.775 848 HB3 LYS 109 1HB LYS 109 -16.888 -2.454 13.013 849 HG2 LYS 109 2HG LYS 109 -15.866 -0.088 11.464 850 HG3 LYS 109 1HG LYS 109 -16.582 -0.013 13.073 851 HD2 LYS 109 2HD LYS 109 -14.742 -1.824 13.605 852 HD3 LYS 109 1HD LYS 109 -13.948 -1.101 12.205 853 HE2 LYS 109 2HE LYS 109 -13.315 0.665 13.395 854 HE3 LYS 109 1HE LYS 109 -14.970 0.952 13.939 855 HZ1 LYS 109 1HZ LYS 109 -14.272 -1.120 15.478 856 HZ2 LYS 109 2HZ LYS 109 -14.094 0.505 15.935 857 HZ3 LYS 109 3HZ LYS 109 -12.771 -0.350 15.309 858 H ARG 110 H ARG 110 -18.387 -2.570 9.804 859 HA ARG 110 HA ARG 110 -19.517 -5.096 10.424 860 HB2 ARG 110 2HB ARG 110 -20.893 -3.157 9.762 861 HB3 ARG 110 1HB ARG 110 -20.169 -3.183 8.167 862 HG2 ARG 110 2HG ARG 110 -21.419 -4.911 7.466 863 HG3 ARG 110 1HG ARG 110 -21.414 -5.696 9.045 864 HD2 ARG 110 2HD ARG 110 -23.026 -3.985 9.838 865 HD3 ARG 110 1HD ARG 110 -23.097 -3.348 8.194 866 HE ARG 110 HE ARG 110 -23.755 -5.830 7.686 867 HH11 ARG 110 1HH1 ARG 110 -24.749 -3.864 10.407 868 HH12 ARG 110 2HH1 ARG 110 -26.271 -4.677 10.606 869 HH21 ARG 110 1HH2 ARG 110 -25.734 -6.912 7.941 870 HH22 ARG 110 2HH2 ARG 110 -26.818 -6.434 9.210 871 H LEU 111 H LEU 111 -17.515 -3.867 7.915 872 HA LEU 111 HA LEU 111 -17.794 -5.876 5.994 873 HB2 LEU 111 2HB LEU 111 -15.916 -3.684 6.580 874 HB3 LEU 111 1HB LEU 111 -15.311 -4.934 5.539 875 HG LEU 111 HG LEU 111 -17.867 -3.519 5.075 876 HD11 LEU 111 1HD1 LEU 111 -16.714 -2.176 3.392 877 HD12 LEU 111 2HD1 LEU 111 -15.191 -2.948 3.828 878 HD13 LEU 111 3HD1 LEU 111 -16.022 -1.915 4.991 879 HD21 LEU 111 1HD2 LEU 111 -17.638 -4.311 2.786 880 HD22 LEU 111 2HD2 LEU 111 -17.816 -5.604 3.971 881 HD23 LEU 111 3HD2 LEU 111 -16.229 -5.245 3.290 882 H ALA 112 H ALA 112 -15.454 -5.537 8.662 883 HA ALA 112 HA ALA 112 -14.085 -7.905 7.833 884 HB1 ALA 112 1HB ALA 112 -12.935 -6.168 9.129 885 HB2 ALA 112 2HB ALA 112 -12.878 -7.722 9.964 886 HB3 ALA 112 3HB ALA 112 -14.005 -6.475 10.499 887 H ASN 113 H ASN 113 -16.979 -7.306 9.341 888 HA ASN 113 HA ASN 113 -17.052 -9.890 10.691 889 HB2 ASN 113 2HB ASN 113 -18.688 -7.392 10.815 890 HB3 ASN 113 1HB ASN 113 -19.427 -8.915 11.300 891 HD21 ASN 113 1HD2 ASN 113 -17.181 -6.445 12.094 892 HD22 ASN 113 2HD2 ASN 113 -16.784 -7.015 13.681 893 H GLU 114 H GLU 114 -18.375 -8.125 7.972 894 HA GLU 114 HA GLU 114 -20.223 -10.266 7.308 895 HB2 GLU 114 2HB GLU 114 -19.786 -7.501 6.267 896 HB3 GLU 114 1HB GLU 114 -20.675 -8.672 5.296 897 HG2 GLU 114 2HG GLU 114 -22.115 -9.028 7.373 898 HG3 GLU 114 1HG GLU 114 -21.370 -7.555 7.991 899 H ALA 115 H ALA 115 -17.207 -8.831 6.029 900 HA ALA 115 HA ALA 115 -17.281 -10.553 3.698 901 HB1 ALA 115 1HB ALA 115 -14.999 -9.771 3.292 902 HB2 ALA 115 2HB ALA 115 -14.965 -9.012 4.884 903 HB3 ALA 115 3HB ALA 115 -16.071 -8.414 3.646 904 H LYS 116 H LYS 116 -17.033 -11.160 6.818 905 HA LYS 116 HA LYS 116 -15.089 -13.329 6.553 906 HB2 LYS 116 2HB LYS 116 -14.366 -12.825 8.614 907 HB3 LYS 116 1HB LYS 116 -15.226 -11.314 8.389 908 HG2 LYS 116 2HG LYS 116 -17.021 -11.989 9.713 909 HG3 LYS 116 1HG LYS 116 -16.578 -13.695 9.615 910 HD2 LYS 116 2HD LYS 116 -15.013 -11.548 11.046 911 HD3 LYS 116 1HD LYS 116 -16.047 -12.751 11.815 912 HE2 LYS 116 2HE LYS 116 -13.805 -13.605 10.027 913 HE3 LYS 116 1HE LYS 116 -13.474 -13.143 11.695 914 HZ1 LYS 116 1HZ LYS 116 -14.970 -14.847 12.463 915 HZ2 LYS 116 2HZ LYS 116 -13.839 -15.544 11.413 916 HZ3 LYS 116 3HZ LYS 116 -15.417 -15.242 10.876 917 H GLU 117 H GLU 117 -18.433 -12.592 7.059 918 HA GLU 117 HA GLU 117 -19.054 -15.259 8.038 919 HB2 GLU 117 2HB GLU 117 -21.449 -14.441 7.904 920 HB3 GLU 117 1HB GLU 117 -20.413 -13.566 9.021 921 HG2 GLU 117 2HG GLU 117 -20.703 -11.647 7.946 922 HG3 GLU 117 1HG GLU 117 -20.408 -12.387 6.375 923 H ALA 118 H ALA 118 -19.131 -13.398 5.110 924 HA ALA 118 HA ALA 118 -20.244 -15.714 3.667 925 HB1 ALA 118 1HB ALA 118 -20.331 -12.790 2.933 926 HB2 ALA 118 2HB ALA 118 -21.681 -13.760 3.522 927 HB3 ALA 118 3HB ALA 118 -20.964 -14.110 1.950 928 H LYS 119 H LYS 119 -19.494 -14.626 1.087 929 HA LYS 119 HA LYS 119 -16.610 -14.376 1.118 930 HB2 LYS 119 2HB LYS 119 -17.358 -16.893 1.195 931 HB3 LYS 119 1HB LYS 119 -17.683 -16.643 -0.514 932 HG2 LYS 119 2HG LYS 119 -15.429 -16.202 -0.991 933 HG3 LYS 119 1HG LYS 119 -15.032 -15.968 0.712 934 HD2 LYS 119 2HD LYS 119 -15.893 -18.576 -0.533 935 HD3 LYS 119 1HD LYS 119 -14.230 -18.132 -0.149 936 HE2 LYS 119 2HE LYS 119 -14.631 -18.166 2.159 937 HE3 LYS 119 1HE LYS 119 -16.377 -18.104 1.951 938 HZ1 LYS 119 1HZ LYS 119 -16.320 -20.345 1.059 939 HZ2 LYS 119 2HZ LYS 119 -15.638 -20.301 2.611 940 HZ3 LYS 119 3HZ LYS 119 -14.631 -20.406 1.248 941 H LYS 120 H LYS 120 -17.742 -12.364 0.300 942 HA LYS 120 HA LYS 120 -17.624 -12.387 -2.599 943 HB2 LYS 120 2HB LYS 120 -19.967 -12.744 -2.338 944 HB3 LYS 120 1HB LYS 120 -20.071 -11.586 -1.022 945 HG2 LYS 120 2HG LYS 120 -19.225 -9.942 -2.951 946 HG3 LYS 120 1HG LYS 120 -20.057 -11.141 -3.944 947 HD2 LYS 120 2HD LYS 120 -21.791 -9.707 -3.485 948 HD3 LYS 120 1HD LYS 120 -21.957 -10.841 -2.142 949 HE2 LYS 120 2HE LYS 120 -20.491 -8.202 -2.027 950 HE3 LYS 120 1HE LYS 120 -22.132 -8.476 -1.443 951 HZ1 LYS 120 1HZ LYS 120 -21.103 -10.241 0.032 952 HZ2 LYS 120 2HZ LYS 120 -20.761 -8.631 0.433 953 HZ3 LYS 120 3HZ LYS 120 -19.593 -9.568 -0.372 Start of MODEL 3 1 H MET 1 1HT MET 1 -16.620 22.473 -0.417 2 HA MET 1 HA MET 1 -15.524 20.330 -0.884 3 HB2 MET 1 2HB MET 1 -14.363 22.575 -0.956 4 HB3 MET 1 1HB MET 1 -13.794 22.261 0.674 5 HG2 MET 1 2HG MET 1 -12.331 20.626 0.004 6 HG3 MET 1 1HG MET 1 -13.233 20.271 -1.470 7 HE1 MET 1 1HE MET 1 -10.844 22.909 0.298 8 HE2 MET 1 2HE MET 1 -12.294 23.813 -0.142 9 HE3 MET 1 3HE MET 1 -10.764 24.142 -0.962 10 H VAL 2 H VAL 2 -14.703 18.431 -0.077 11 HA VAL 2 HA VAL 2 -15.089 18.012 2.760 12 HB VAL 2 HB VAL 2 -14.239 15.942 0.747 13 HG11 VAL 2 1HG1 VAL 2 -13.951 15.298 3.087 14 HG12 VAL 2 2HG1 VAL 2 -15.232 14.355 2.327 15 HG13 VAL 2 3HG1 VAL 2 -15.636 15.685 3.412 16 HG21 VAL 2 1HG2 VAL 2 -16.306 17.028 -0.007 17 HG22 VAL 2 2HG2 VAL 2 -17.053 16.675 1.552 18 HG23 VAL 2 3HG2 VAL 2 -16.586 15.355 0.483 19 H ASP 3 H ASP 3 -12.637 18.642 0.670 20 HA ASP 3 HA ASP 3 -10.378 18.738 0.785 21 HB2 ASP 3 2HB ASP 3 -11.128 19.036 3.688 22 HB3 ASP 3 1HB ASP 3 -9.444 19.067 3.174 23 H LEU 4 H LEU 4 -11.478 16.183 0.562 24 HA LEU 4 HA LEU 4 -10.545 14.286 2.384 25 HB2 LEU 4 2HB LEU 4 -10.756 12.692 0.436 26 HB3 LEU 4 1HB LEU 4 -12.194 13.596 0.867 27 HG LEU 4 HG LEU 4 -10.786 15.077 -1.121 28 HD11 LEU 4 1HD1 LEU 4 -10.844 13.479 -2.970 29 HD12 LEU 4 2HD1 LEU 4 -11.284 12.192 -1.847 30 HD13 LEU 4 3HD1 LEU 4 -9.710 12.974 -1.720 31 HD21 LEU 4 1HD2 LEU 4 -13.180 15.197 -0.693 32 HD22 LEU 4 2HD2 LEU 4 -13.371 13.522 -1.211 33 HD23 LEU 4 3HD2 LEU 4 -12.867 14.752 -2.369 34 H GLU 5 H GLU 5 -8.892 15.903 -0.237 35 HA GLU 5 HA GLU 5 -6.733 14.068 -0.453 36 HB2 GLU 5 2HB GLU 5 -5.614 15.987 -1.664 37 HB3 GLU 5 1HB GLU 5 -7.135 15.417 -2.331 38 HG2 GLU 5 2HG GLU 5 -8.290 17.295 -1.247 39 HG3 GLU 5 1HG GLU 5 -6.738 17.872 -0.634 40 H GLN 6 H GLN 6 -7.422 15.568 2.246 41 HA GLN 6 HA GLN 6 -4.643 16.373 2.799 42 HB2 GLN 6 2HB GLN 6 -5.388 17.745 4.564 43 HB3 GLN 6 1HB GLN 6 -6.509 18.036 3.244 44 HG2 GLN 6 2HG GLN 6 -8.080 17.769 4.805 45 HG3 GLN 6 1HG GLN 6 -7.781 16.046 4.581 46 HE21 GLN 6 1HE2 GLN 6 -8.384 15.550 6.666 47 HE22 GLN 6 2HE2 GLN 6 -7.394 15.925 8.031 48 H GLU 7 H GLU 7 -6.993 13.996 3.373 49 HA GLU 7 HA GLU 7 -5.702 12.971 5.783 50 HB2 GLU 7 2HB GLU 7 -7.800 11.351 4.501 51 HB3 GLU 7 1HB GLU 7 -7.620 11.825 6.185 52 HG2 GLU 7 2HG GLU 7 -8.272 14.189 5.165 53 HG3 GLU 7 1HG GLU 7 -9.055 13.153 3.978 54 H PHE 8 H PHE 8 -5.321 12.829 2.519 55 HA PHE 8 HA PHE 8 -4.000 10.215 2.650 56 HB2 PHE 8 2HB PHE 8 -4.865 11.292 0.008 57 HB3 PHE 8 1HB PHE 8 -4.690 9.621 0.521 58 HD1 PHE 8 1HD PHE 8 -6.496 9.359 2.775 59 HD2 PHE 8 2HD PHE 8 -6.924 11.611 -0.809 60 HE1 PHE 8 1HE PHE 8 -8.937 9.234 2.984 61 HE2 PHE 8 2HE PHE 8 -9.372 11.486 -0.602 62 HZ PHE 8 HZ PHE 8 -10.373 10.311 1.301 63 H ALA 9 H ALA 9 -2.337 11.671 3.466 64 HA ALA 9 HA ALA 9 -0.716 12.592 1.301 65 HB1 ALA 9 1HB ALA 9 -2.166 14.530 1.903 66 HB2 ALA 9 2HB ALA 9 -0.440 14.827 2.114 67 HB3 ALA 9 3HB ALA 9 -1.456 14.495 3.518 68 H LEU 10 H LEU 10 0.811 14.149 3.216 69 HA LEU 10 HA LEU 10 2.703 12.192 3.876 70 HB2 LEU 10 2HB LEU 10 2.320 15.032 4.734 71 HB3 LEU 10 1HB LEU 10 3.710 14.079 5.218 72 HG LEU 10 HG LEU 10 3.842 13.720 2.545 73 HD11 LEU 10 1HD1 LEU 10 2.675 16.486 2.897 74 HD12 LEU 10 2HD1 LEU 10 1.875 15.119 2.121 75 HD13 LEU 10 3HD1 LEU 10 3.331 15.811 1.405 76 HD21 LEU 10 1HD2 LEU 10 5.673 14.499 3.943 77 HD22 LEU 10 2HD2 LEU 10 4.935 16.096 4.061 78 HD23 LEU 10 3HD2 LEU 10 5.525 15.513 2.507 79 H GLY 11 H GLY 11 2.253 10.607 5.255 80 HA2 GLY 11 2HA GLY 11 1.983 9.590 7.298 81 HA3 GLY 11 1HA GLY 11 2.064 11.182 8.049 82 H GLY 12 H GLY 12 -0.158 10.344 5.518 83 HA2 GLY 12 2HA GLY 12 -2.387 11.160 7.140 84 HA3 GLY 12 1HA GLY 12 -2.457 10.595 5.475 85 H ARG 13 H ARG 13 -3.599 9.934 8.384 86 HA ARG 13 HA ARG 13 -3.247 7.048 8.321 87 HB2 ARG 13 2HB ARG 13 -3.153 7.950 10.514 88 HB3 ARG 13 1HB ARG 13 -4.520 9.011 10.227 89 HG2 ARG 13 2HG ARG 13 -5.773 6.684 9.953 90 HG3 ARG 13 1HG ARG 13 -4.461 6.159 11.011 91 HD2 ARG 13 2HD ARG 13 -6.422 6.865 12.306 92 HD3 ARG 13 1HD ARG 13 -5.032 7.907 12.617 93 HE ARG 13 HE ARG 13 -6.424 9.137 10.584 94 HH11 ARG 13 1HH1 ARG 13 -7.073 8.209 13.907 95 HH12 ARG 13 2HH1 ARG 13 -8.299 9.419 14.142 96 HH21 ARG 13 1HH2 ARG 13 -8.029 10.724 10.876 97 HH22 ARG 13 2HH2 ARG 13 -8.855 10.848 12.402 98 H CYS 14 H CYS 14 -4.440 6.096 6.782 99 HA CYS 14 HA CYS 14 -7.263 6.854 6.578 100 HB2 CYS 14 2HB CYS 14 -7.070 6.606 4.123 101 HB3 CYS 14 1HB CYS 14 -6.077 7.922 4.751 102 HG CYS 14 HG CYS 14 -3.855 5.879 4.852 103 H LEU 15 H LEU 15 -8.214 5.188 4.854 104 HA LEU 15 HA LEU 15 -7.473 2.485 5.768 105 HB2 LEU 15 2HB LEU 15 -10.147 3.696 5.084 106 HB3 LEU 15 1HB LEU 15 -9.890 1.964 5.004 107 HG LEU 15 HG LEU 15 -9.816 3.736 7.437 108 HD11 LEU 15 1HD1 LEU 15 -11.451 1.335 6.639 109 HD12 LEU 15 2HD1 LEU 15 -12.010 2.998 6.796 110 HD13 LEU 15 3HD1 LEU 15 -11.502 2.102 8.227 111 HD21 LEU 15 1HD2 LEU 15 -7.923 2.232 7.611 112 HD22 LEU 15 2HD2 LEU 15 -8.951 0.855 7.214 113 HD23 LEU 15 3HD2 LEU 15 -9.200 1.733 8.721 114 H ALA 16 H ALA 16 -7.356 0.899 4.126 115 HA ALA 16 HA ALA 16 -7.668 1.914 1.411 116 HB1 ALA 16 1HB ALA 16 -5.478 1.151 0.713 117 HB2 ALA 16 2HB ALA 16 -5.112 0.627 2.355 118 HB3 ALA 16 3HB ALA 16 -5.334 2.340 2.005 119 H PHE 17 H PHE 17 -8.192 0.406 -0.074 120 HA PHE 17 HA PHE 17 -9.286 -2.005 1.042 121 HB2 PHE 17 2HB PHE 17 -9.518 -0.551 -1.532 122 HB3 PHE 17 1HB PHE 17 -9.851 -2.282 -1.541 123 HD1 PHE 17 1HD PHE 17 -11.128 0.966 -0.797 124 HD2 PHE 17 2HD PHE 17 -11.556 -3.169 0.110 125 HE1 PHE 17 1HE PHE 17 -13.401 1.389 0.046 126 HE2 PHE 17 2HE PHE 17 -13.829 -2.754 0.954 127 HZ PHE 17 HZ PHE 17 -14.755 -0.470 0.920 128 H HIS 18 H HIS 18 -7.898 -3.540 1.478 129 HA HIS 18 HA HIS 18 -5.966 -4.353 -0.589 130 HB2 HIS 18 2HB HIS 18 -5.147 -3.993 1.794 131 HB3 HIS 18 1HB HIS 18 -6.157 -5.354 2.269 132 HD2 HIS 18 2HD HIS 18 -2.802 -4.614 0.484 133 HE1 HIS 18 1HE HIS 18 -3.271 -8.807 0.790 134 HE2 HIS 18 2HE HIS 18 -1.630 -6.924 0.336 135 H GLY 19 H GLY 19 -7.079 -5.594 -1.977 136 HA2 GLY 19 2HA GLY 19 -8.239 -7.443 -2.729 137 HA3 GLY 19 1HA GLY 19 -8.203 -8.073 -1.082 138 HA PRO 20 HA PRO 20 -12.461 -6.688 -1.159 139 HB2 PRO 20 2HB PRO 20 -13.330 -8.448 0.704 140 HB3 PRO 20 1HB PRO 20 -13.029 -8.882 -0.978 141 HG2 PRO 20 2HG PRO 20 -11.574 -9.683 1.402 142 HG3 PRO 20 1HG PRO 20 -11.407 -10.286 -0.253 143 HD2 PRO 20 2HD PRO 20 -9.789 -8.301 1.174 144 HD3 PRO 20 1HD PRO 20 -9.420 -9.190 -0.323 145 H LEU 21 H LEU 21 -10.257 -6.298 1.462 146 HA LEU 21 HA LEU 21 -12.419 -4.977 2.967 147 HB2 LEU 21 2HB LEU 21 -10.213 -6.708 3.974 148 HB3 LEU 21 1HB LEU 21 -10.914 -5.479 5.014 149 HG LEU 21 HG LEU 21 -12.166 -7.968 3.922 150 HD11 LEU 21 1HD1 LEU 21 -11.166 -7.942 6.164 151 HD12 LEU 21 2HD1 LEU 21 -12.908 -8.216 6.203 152 HD13 LEU 21 3HD1 LEU 21 -12.257 -6.629 6.618 153 HD21 LEU 21 1HD2 LEU 21 -13.709 -5.588 4.946 154 HD22 LEU 21 2HD2 LEU 21 -14.370 -7.159 4.494 155 HD23 LEU 21 3HD2 LEU 21 -13.658 -6.115 3.264 156 H MET 22 H MET 22 -11.818 -3.392 4.485 157 HA MET 22 HA MET 22 -9.840 -1.537 3.438 158 HB2 MET 22 2HB MET 22 -12.460 -1.302 4.619 159 HB3 MET 22 1HB MET 22 -11.306 -0.399 5.594 160 HG2 MET 22 2HG MET 22 -10.568 0.810 3.594 161 HG3 MET 22 1HG MET 22 -11.743 -0.081 2.631 162 HE1 MET 22 1HE MET 22 -14.285 -0.228 4.479 163 HE2 MET 22 2HE MET 22 -14.338 0.230 2.778 164 HE3 MET 22 3HE MET 22 -15.144 1.232 3.984 165 H TYR 23 H TYR 23 -7.893 -1.564 4.363 166 HA TYR 23 HA TYR 23 -7.711 -2.324 7.208 167 HB2 TYR 23 2HB TYR 23 -5.679 -2.561 4.979 168 HB3 TYR 23 1HB TYR 23 -5.320 -2.874 6.672 169 HD1 TYR 23 1HD TYR 23 -6.979 -4.111 3.671 170 HD2 TYR 23 2HD TYR 23 -6.234 -4.841 7.790 171 HE1 TYR 23 1HE TYR 23 -7.723 -6.437 3.385 172 HE2 TYR 23 2HE TYR 23 -6.969 -7.169 7.521 173 HH TYR 23 HH TYR 23 -7.388 -8.607 4.466 174 H GLU 24 H GLU 24 -6.418 -1.096 8.598 175 HA GLU 24 HA GLU 24 -6.306 1.686 8.020 176 HB2 GLU 24 2HB GLU 24 -5.063 0.101 10.280 177 HB3 GLU 24 1HB GLU 24 -5.122 1.855 10.200 178 HG2 GLU 24 2HG GLU 24 -7.125 1.862 11.114 179 HG3 GLU 24 1HG GLU 24 -7.747 0.822 9.832 180 H ALA 25 H ALA 25 -4.627 2.918 7.326 181 HA ALA 25 HA ALA 25 -1.958 1.771 7.269 182 HB1 ALA 25 1HB ALA 25 -1.678 2.085 4.875 183 HB2 ALA 25 2HB ALA 25 -3.373 2.548 4.736 184 HB3 ALA 25 3HB ALA 25 -2.941 0.911 5.231 185 H LYS 26 H LYS 26 -0.403 3.223 7.442 186 HA LYS 26 HA LYS 26 -1.146 6.062 7.386 187 HB2 LYS 26 2HB LYS 26 -0.091 5.242 9.453 188 HB3 LYS 26 1HB LYS 26 1.297 4.680 8.536 189 HG2 LYS 26 2HG LYS 26 2.105 6.805 8.196 190 HG3 LYS 26 1HG LYS 26 0.521 7.554 8.405 191 HD2 LYS 26 2HD LYS 26 0.589 7.227 10.760 192 HD3 LYS 26 1HD LYS 26 2.013 6.191 10.642 193 HE2 LYS 26 2HE LYS 26 3.424 7.977 10.181 194 HE3 LYS 26 1HE LYS 26 2.103 9.028 9.685 195 HZ1 LYS 26 1HZ LYS 26 1.671 8.299 12.351 196 HZ2 LYS 26 2HZ LYS 26 2.040 9.833 11.729 197 HZ3 LYS 26 3HZ LYS 26 3.289 8.799 12.219 198 H ILE 27 H ILE 27 -0.676 7.163 5.626 199 HA ILE 27 HA ILE 27 0.907 6.056 3.531 200 HB ILE 27 HB ILE 27 -0.057 8.905 3.763 201 HG12 ILE 27 2HG1 ILE 27 -1.540 6.842 2.197 202 HG13 ILE 27 1HG1 ILE 27 -1.739 6.831 3.944 203 HG21 ILE 27 1HG2 ILE 27 1.623 8.481 2.036 204 HG22 ILE 27 2HG2 ILE 27 0.055 8.860 1.324 205 HG23 ILE 27 3HG2 ILE 27 0.622 7.191 1.377 206 HD11 ILE 27 1HD1 ILE 27 -3.506 8.083 2.861 207 HD12 ILE 27 2HD1 ILE 27 -2.312 9.143 2.110 208 HD13 ILE 27 3HD1 ILE 27 -2.511 9.144 3.863 209 H LEU 28 H LEU 28 2.909 5.860 3.565 210 HA LEU 28 HA LEU 28 4.605 7.627 5.103 211 HB2 LEU 28 2HB LEU 28 4.804 5.150 5.154 212 HB3 LEU 28 1HB LEU 28 5.284 5.201 3.467 213 HG LEU 28 HG LEU 28 7.146 6.733 4.202 214 HD11 LEU 28 1HD1 LEU 28 6.425 5.594 6.894 215 HD12 LEU 28 2HD1 LEU 28 6.314 7.289 6.414 216 HD13 LEU 28 3HD1 LEU 28 7.889 6.502 6.522 217 HD21 LEU 28 1HD2 LEU 28 7.511 4.430 3.503 218 HD22 LEU 28 2HD2 LEU 28 7.150 3.870 5.136 219 HD23 LEU 28 3HD2 LEU 28 8.585 4.852 4.837 220 H LYS 29 H LYS 29 3.714 7.044 1.802 221 HA LYS 29 HA LYS 29 5.475 9.240 1.042 222 HB2 LYS 29 2HB LYS 29 5.375 6.756 -0.679 223 HB3 LYS 29 1HB LYS 29 6.447 8.138 -0.833 224 HG2 LYS 29 2HG LYS 29 7.594 7.489 1.210 225 HG3 LYS 29 1HG LYS 29 6.498 6.117 1.394 226 HD2 LYS 29 2HD LYS 29 7.288 5.208 -0.747 227 HD3 LYS 29 1HD LYS 29 8.396 6.573 -0.912 228 HE2 LYS 29 2HE LYS 29 9.693 5.875 0.915 229 HE3 LYS 29 1HE LYS 29 8.446 4.761 1.478 230 HZ1 LYS 29 1HZ LYS 29 10.054 4.456 -1.013 231 HZ2 LYS 29 2HZ LYS 29 8.844 3.395 -0.488 232 HZ3 LYS 29 3HZ LYS 29 10.262 3.573 0.415 233 H ILE 30 H ILE 30 4.596 10.530 -0.429 234 HA ILE 30 HA ILE 30 1.943 9.875 -1.521 235 HB ILE 30 HB ILE 30 3.369 12.544 -1.656 236 HG12 ILE 30 2HG1 ILE 30 3.199 12.181 0.661 237 HG13 ILE 30 1HG1 ILE 30 1.777 13.141 0.256 238 HG21 ILE 30 1HG2 ILE 30 0.467 11.809 -1.925 239 HG22 ILE 30 2HG2 ILE 30 1.555 12.279 -3.234 240 HG23 ILE 30 3HG2 ILE 30 1.127 13.445 -1.981 241 HD11 ILE 30 1HD1 ILE 30 1.234 11.344 1.782 242 HD12 ILE 30 2HD1 ILE 30 1.839 10.163 0.626 243 HD13 ILE 30 3HD1 ILE 30 0.417 11.131 0.235 244 H TRP 31 H TRP 31 1.541 10.233 -3.858 245 HA TRP 31 HA TRP 31 4.054 10.199 -5.394 246 HB2 TRP 31 2HB TRP 31 3.305 7.941 -5.317 247 HB3 TRP 31 1HB TRP 31 1.659 8.415 -5.749 248 HD1 TRP 31 HD TRP 31 1.126 8.668 -8.289 249 HE1 TRP 31 1HE TRP 31 2.495 8.334 -10.462 250 HE3 TRP 31 3HE TRP 31 5.690 8.324 -6.188 251 HZ2 TRP 31 2HZ TRP 31 5.203 7.973 -11.132 252 HZ3 TRP 31 3HZ TRP 31 7.646 8.007 -7.639 253 HH2 TRP 31 HH TRP 31 7.400 7.838 -10.059 254 H ASP 32 H ASP 32 4.141 11.570 -7.019 255 HA ASP 32 HA ASP 32 1.662 12.810 -8.012 256 HB2 ASP 32 2HB ASP 32 3.396 14.328 -7.030 257 HB3 ASP 32 1HB ASP 32 4.509 13.804 -8.291 258 HA PRO 33 HA PRO 33 2.524 10.244 -11.585 259 HB2 PRO 33 2HB PRO 33 0.100 11.347 -12.730 260 HB3 PRO 33 1HB PRO 33 0.409 9.713 -12.140 261 HG2 PRO 33 2HG PRO 33 -1.275 11.462 -10.907 262 HG3 PRO 33 1HG PRO 33 -0.398 10.183 -10.051 263 HD2 PRO 33 2HD PRO 33 0.223 13.105 -10.244 264 HD3 PRO 33 1HD PRO 33 0.342 12.010 -8.846 265 H SER 34 H SER 34 2.206 13.646 -11.564 266 HA SER 34 HA SER 34 2.623 13.909 -14.433 267 HB2 SER 34 2HB SER 34 2.780 16.307 -12.696 268 HB3 SER 34 1HB SER 34 1.919 16.063 -14.217 269 HG SER 34 HG SER 34 0.920 16.039 -11.792 270 H SER 35 H SER 35 4.443 14.062 -11.481 271 HA SER 35 HA SER 35 6.764 15.135 -12.918 272 HB2 SER 35 2HB SER 35 6.605 14.634 -9.949 273 HB3 SER 35 1HB SER 35 7.648 15.761 -10.818 274 HG SER 35 HG SER 35 4.808 15.962 -10.581 275 H LYS 36 H LYS 36 5.510 12.460 -11.114 276 HA LYS 36 HA LYS 36 5.928 10.278 -11.152 277 HB2 LYS 36 2HB LYS 36 6.665 10.644 -13.560 278 HB3 LYS 36 1HB LYS 36 8.313 10.652 -12.930 279 HG2 LYS 36 2HG LYS 36 7.851 8.483 -11.859 280 HG3 LYS 36 1HG LYS 36 6.286 8.468 -12.676 281 HD2 LYS 36 2HD LYS 36 7.222 8.101 -14.750 282 HD3 LYS 36 1HD LYS 36 8.748 8.877 -14.314 283 HE2 LYS 36 2HE LYS 36 9.257 6.950 -12.851 284 HE3 LYS 36 1HE LYS 36 7.773 6.171 -13.407 285 HZ1 LYS 36 1HZ LYS 36 8.624 5.950 -15.556 286 HZ2 LYS 36 2HZ LYS 36 9.919 5.519 -14.543 287 HZ3 LYS 36 3HZ LYS 36 9.890 7.045 -15.278 288 H MET 37 H MET 37 6.846 12.173 -9.464 289 HA MET 37 HA MET 37 9.108 10.878 -8.210 290 HB2 MET 37 2HB MET 37 8.099 13.693 -7.697 291 HB3 MET 37 1HB MET 37 9.612 12.985 -7.162 292 HG2 MET 37 2HG MET 37 10.597 13.194 -9.250 293 HG3 MET 37 1HG MET 37 9.044 13.347 -10.072 294 HE1 MET 37 1HE MET 37 10.826 16.818 -10.672 295 HE2 MET 37 2HE MET 37 9.988 15.482 -11.460 296 HE3 MET 37 3HE MET 37 11.528 15.198 -10.644 297 H TYR 38 H TYR 38 8.736 11.322 -5.750 298 HA TYR 38 HA TYR 38 5.934 11.159 -5.066 299 HB2 TYR 38 2HB TYR 38 6.249 9.112 -3.732 300 HB3 TYR 38 1HB TYR 38 6.524 8.825 -5.444 301 HD1 TYR 38 1HD TYR 38 8.841 8.503 -6.276 302 HD2 TYR 38 2HD TYR 38 7.937 8.748 -2.136 303 HE1 TYR 38 1HE TYR 38 11.002 7.474 -5.748 304 HE2 TYR 38 2HE TYR 38 10.093 7.722 -1.586 305 HH TYR 38 HH TYR 38 11.736 6.127 -2.840 306 H THR 39 H THR 39 5.654 11.559 -2.732 307 HA THR 39 HA THR 39 8.087 12.785 -1.627 308 HB THR 39 HB THR 39 6.880 14.533 -0.672 309 HG1 THR 39 1HG THR 39 4.975 13.176 -0.141 310 HG21 THR 39 1HG2 THR 39 5.818 15.635 -2.568 311 HG22 THR 39 2HG2 THR 39 5.756 14.092 -3.421 312 HG23 THR 39 3HG2 THR 39 7.313 14.824 -3.039 313 H SER 40 H SER 40 8.817 11.599 -0.120 314 HA SER 40 HA SER 40 7.060 9.922 1.462 315 HB2 SER 40 2HB SER 40 9.221 9.107 0.362 316 HB3 SER 40 1HB SER 40 10.073 10.037 1.594 317 HG SER 40 HG SER 40 8.075 8.272 2.446 318 H ILE 41 H ILE 41 8.013 9.664 3.801 319 HA ILE 41 HA ILE 41 8.612 12.293 4.948 320 HB ILE 41 HB ILE 41 6.939 11.149 6.839 321 HG12 ILE 41 2HG1 ILE 41 5.022 11.315 4.699 322 HG13 ILE 41 1HG1 ILE 41 6.176 10.010 4.430 323 HG21 ILE 41 1HG2 ILE 41 5.479 13.053 6.373 324 HG22 ILE 41 2HG2 ILE 41 6.351 13.328 4.865 325 HG23 ILE 41 3HG2 ILE 41 7.182 13.509 6.410 326 HD11 ILE 41 1HD1 ILE 41 4.273 9.169 5.637 327 HD12 ILE 41 2HD1 ILE 41 4.465 10.413 6.873 328 HD13 ILE 41 3HD1 ILE 41 5.688 9.158 6.689 329 HA PRO 42 HA PRO 42 11.327 9.677 7.285 330 HB2 PRO 42 2HB PRO 42 12.640 11.608 8.606 331 HB3 PRO 42 1HB PRO 42 12.845 11.378 6.866 332 HG2 PRO 42 2HG PRO 42 11.282 13.441 8.334 333 HG3 PRO 42 1HG PRO 42 12.184 13.582 6.816 334 HD2 PRO 42 2HD PRO 42 9.417 13.238 7.071 335 HD3 PRO 42 1HD PRO 42 10.361 13.012 5.589 336 H ASN 43 H ASN 43 10.472 8.498 8.882 337 HA ASN 43 HA ASN 43 10.236 9.476 11.515 338 HB2 ASN 43 2HB ASN 43 8.162 10.495 10.657 339 HB3 ASN 43 1HB ASN 43 7.607 8.913 10.119 340 HD21 ASN 43 1HD2 ASN 43 6.790 7.466 11.604 341 HD22 ASN 43 2HD2 ASN 43 6.460 7.893 13.249 342 H ASP 44 H ASP 44 8.750 7.060 9.357 343 HA ASP 44 HA ASP 44 8.933 5.037 11.399 344 HB2 ASP 44 2HB ASP 44 7.421 5.392 9.010 345 HB3 ASP 44 1HB ASP 44 8.290 3.866 8.882 346 H LYS 45 H LYS 45 10.781 5.926 8.554 347 HA LYS 45 HA LYS 45 12.188 3.469 8.353 348 HB2 LYS 45 2HB LYS 45 13.763 4.712 6.903 349 HB3 LYS 45 1HB LYS 45 12.088 4.924 6.427 350 HG2 LYS 45 2HG LYS 45 12.317 7.087 7.939 351 HG3 LYS 45 1HG LYS 45 14.023 6.889 7.521 352 HD2 LYS 45 2HD LYS 45 12.821 6.532 5.104 353 HD3 LYS 45 1HD LYS 45 11.744 7.706 5.857 354 HE2 LYS 45 2HE LYS 45 13.199 9.205 5.035 355 HE3 LYS 45 1HE LYS 45 14.152 8.777 6.453 356 HZ1 LYS 45 1HZ LYS 45 15.346 8.757 4.257 357 HZ2 LYS 45 2HZ LYS 45 14.447 7.380 3.856 358 HZ3 LYS 45 3HZ LYS 45 15.500 7.345 5.180 359 HA PRO 46 HA PRO 46 14.798 4.364 11.876 360 HB2 PRO 46 2HB PRO 46 15.408 1.673 12.233 361 HB3 PRO 46 1HB PRO 46 14.042 2.520 12.956 362 HG2 PRO 46 2HG PRO 46 13.963 0.457 10.996 363 HG3 PRO 46 1HG PRO 46 12.600 1.383 11.644 364 HD2 PRO 46 2HD PRO 46 14.086 1.729 9.103 365 HD3 PRO 46 1HD PRO 46 12.414 2.172 9.505 366 H GLY 47 H GLY 47 16.078 5.113 9.704 367 HA2 GLY 47 2HA GLY 47 18.518 5.308 9.608 368 HA3 GLY 47 1HA GLY 47 18.588 3.557 9.758 369 H GLY 48 H GLY 48 16.109 3.654 7.888 370 HA2 GLY 48 2HA GLY 48 17.428 2.986 5.513 371 HA3 GLY 48 1HA GLY 48 15.717 3.370 5.648 372 H SER 49 H SER 49 17.903 4.060 3.671 373 HA SER 49 HA SER 49 18.711 5.813 2.463 374 HB2 SER 49 2HB SER 49 16.596 7.708 2.728 375 HB3 SER 49 1HB SER 49 16.924 6.622 1.381 376 HG SER 49 HG SER 49 15.659 5.041 2.433 377 H SER 50 H SER 50 20.237 6.075 4.270 378 HA SER 50 HA SER 50 20.091 7.809 6.378 379 HB2 SER 50 2HB SER 50 22.622 7.621 4.785 380 HB3 SER 50 1HB SER 50 22.398 7.606 6.536 381 HG SER 50 HG SER 50 22.793 5.521 6.019 382 H GLN 51 H GLN 51 21.432 8.698 3.164 383 HA GLN 51 HA GLN 51 21.345 11.485 3.983 384 HB2 GLN 51 2HB GLN 51 22.400 11.903 1.730 385 HB3 GLN 51 1HB GLN 51 23.347 10.949 2.859 386 HG2 GLN 51 2HG GLN 51 22.557 8.896 1.676 387 HG3 GLN 51 1HG GLN 51 21.797 9.946 0.481 388 HE21 GLN 51 1HE2 GLN 51 23.951 7.982 0.150 389 HE22 GLN 51 2HE2 GLN 51 25.292 8.867 -0.505 390 H ALA 52 H ALA 52 18.880 10.241 3.791 391 HA ALA 52 HA ALA 52 17.581 12.008 1.894 392 HB1 ALA 52 1HB ALA 52 17.855 9.981 0.570 393 HB2 ALA 52 2HB ALA 52 16.157 10.228 0.977 394 HB3 ALA 52 3HB ALA 52 17.106 9.028 1.853 395 H THR 53 H THR 53 17.689 12.370 4.533 396 HA THR 53 HA THR 53 14.990 11.625 5.433 397 HB THR 53 HB THR 53 15.763 11.591 7.751 398 HG1 THR 53 1HG THR 53 17.765 12.123 8.311 399 HG21 THR 53 1HG2 THR 53 17.098 9.536 7.687 400 HG22 THR 53 2HG2 THR 53 17.407 9.791 5.970 401 HG23 THR 53 3HG2 THR 53 15.766 9.485 6.534 402 H LYS 54 H LYS 54 14.084 13.169 6.991 403 HA LYS 54 HA LYS 54 13.441 15.224 7.658 404 HB2 LYS 54 2HB LYS 54 15.898 15.344 8.367 405 HB3 LYS 54 1HB LYS 54 16.152 16.296 6.909 406 HG2 LYS 54 2HG LYS 54 14.381 17.862 7.725 407 HG3 LYS 54 1HG LYS 54 14.384 16.971 9.246 408 HD2 LYS 54 2HD LYS 54 16.768 17.498 9.540 409 HD3 LYS 54 1HD LYS 54 16.746 18.402 8.024 410 HE2 LYS 54 2HE LYS 54 15.045 19.908 8.969 411 HE3 LYS 54 1HE LYS 54 15.127 19.024 10.493 412 HZ1 LYS 54 1HZ LYS 54 17.336 20.565 9.229 413 HZ2 LYS 54 2HZ LYS 54 17.486 19.647 10.647 414 HZ3 LYS 54 3HZ LYS 54 16.466 20.997 10.618 415 H GLU 55 H GLU 55 15.628 15.831 4.906 416 HA GLU 55 HA GLU 55 13.657 17.656 3.769 417 HB2 GLU 55 2HB GLU 55 16.438 16.945 2.822 418 HB3 GLU 55 1HB GLU 55 15.414 18.199 2.135 419 HG2 GLU 55 2HG GLU 55 15.441 19.250 4.458 420 HG3 GLU 55 1HG GLU 55 16.770 18.143 4.808 421 H ILE 56 H ILE 56 12.048 16.250 3.099 422 HA ILE 56 HA ILE 56 12.823 14.310 1.040 423 HB ILE 56 HB ILE 56 10.128 14.632 2.341 424 HG12 ILE 56 2HG1 ILE 56 11.894 13.876 3.938 425 HG13 ILE 56 1HG1 ILE 56 10.676 12.640 3.641 426 HG21 ILE 56 1HG2 ILE 56 9.665 12.472 1.280 427 HG22 ILE 56 2HG2 ILE 56 11.266 12.491 0.543 428 HG23 ILE 56 3HG2 ILE 56 10.070 13.704 0.086 429 HD11 ILE 56 1HD1 ILE 56 13.424 12.752 2.412 430 HD12 ILE 56 2HD1 ILE 56 12.202 11.521 2.094 431 HD13 ILE 56 3HD1 ILE 56 12.895 11.677 3.706 432 H LYS 57 H LYS 57 13.177 15.589 -0.668 433 HA LYS 57 HA LYS 57 11.062 17.361 -1.603 434 HB2 LYS 57 2HB LYS 57 13.501 16.749 -3.227 435 HB3 LYS 57 1HB LYS 57 12.636 18.269 -3.050 436 HG2 LYS 57 2HG LYS 57 13.908 17.342 -0.586 437 HG3 LYS 57 1HG LYS 57 15.034 17.665 -1.904 438 HD2 LYS 57 2HD LYS 57 14.804 19.675 -0.655 439 HD3 LYS 57 1HD LYS 57 13.946 19.898 -2.180 440 HE2 LYS 57 2HE LYS 57 11.829 19.622 -1.121 441 HE3 LYS 57 1HE LYS 57 12.581 19.045 0.367 442 HZ1 LYS 57 1HZ LYS 57 11.760 21.486 0.192 443 HZ2 LYS 57 2HZ LYS 57 13.229 21.738 -0.623 444 HZ3 LYS 57 3HZ LYS 57 13.230 21.145 0.967 445 HA PRO 58 HA PRO 58 9.186 14.363 -4.264 446 HB2 PRO 58 2HB PRO 58 9.530 16.233 -6.557 447 HB3 PRO 58 1HB PRO 58 8.060 15.473 -5.937 448 HG2 PRO 58 2HG PRO 58 8.545 18.056 -5.503 449 HG3 PRO 58 1HG PRO 58 7.798 17.041 -4.252 450 HD2 PRO 58 2HD PRO 58 10.623 18.013 -4.475 451 HD3 PRO 58 1HD PRO 58 9.599 17.842 -3.032 452 H GLN 59 H GLN 59 10.570 12.706 -4.497 453 HA GLN 59 HA GLN 59 12.813 12.989 -6.386 454 HB2 GLN 59 2HB GLN 59 12.338 11.069 -4.103 455 HB3 GLN 59 1HB GLN 59 13.636 10.864 -5.271 456 HG2 GLN 59 2HG GLN 59 14.859 12.574 -4.425 457 HG3 GLN 59 1HG GLN 59 13.437 13.488 -3.921 458 HE21 GLN 59 1HE2 GLN 59 12.533 13.101 -1.921 459 HE22 GLN 59 2HE2 GLN 59 13.324 12.155 -0.705 460 H LYS 60 H LYS 60 12.885 11.787 -8.182 461 HA LYS 60 HA LYS 60 10.593 10.469 -9.117 462 HB2 LYS 60 2HB LYS 60 13.418 10.639 -10.167 463 HB3 LYS 60 1HB LYS 60 12.150 9.753 -11.000 464 HG2 LYS 60 2HG LYS 60 10.827 11.912 -10.995 465 HG3 LYS 60 1HG LYS 60 12.313 12.705 -10.481 466 HD2 LYS 60 2HD LYS 60 13.446 11.982 -12.481 467 HD3 LYS 60 1HD LYS 60 12.040 11.032 -12.974 468 HE2 LYS 60 2HE LYS 60 11.339 12.825 -14.095 469 HE3 LYS 60 1HE LYS 60 11.046 13.591 -12.532 470 HZ1 LYS 60 1HZ LYS 60 12.412 15.076 -13.670 471 HZ2 LYS 60 2HZ LYS 60 13.411 13.859 -14.293 472 HZ3 LYS 60 3HZ LYS 60 13.484 14.263 -12.645 473 H LEU 61 H LEU 61 10.282 8.326 -9.583 474 HA LEU 61 HA LEU 61 10.960 6.488 -7.610 475 HB2 LEU 61 2HB LEU 61 9.900 6.250 -10.374 476 HB3 LEU 61 1HB LEU 61 10.307 4.798 -9.485 477 HG LEU 61 HG LEU 61 8.211 6.856 -8.840 478 HD11 LEU 61 1HD1 LEU 61 6.752 4.877 -8.932 479 HD12 LEU 61 2HD1 LEU 61 8.142 3.880 -9.359 480 HD13 LEU 61 3HD1 LEU 61 7.597 5.151 -10.454 481 HD21 LEU 61 1HD2 LEU 61 7.786 5.578 -6.795 482 HD22 LEU 61 2HD2 LEU 61 9.377 6.338 -6.788 483 HD23 LEU 61 3HD2 LEU 61 9.228 4.610 -7.107 484 H GLY 62 H GLY 62 12.890 5.683 -7.152 485 HA2 GLY 62 2HA GLY 62 15.011 5.440 -9.031 486 HA3 GLY 62 1HA GLY 62 14.991 4.766 -7.405 487 H GLU 63 H GLU 63 15.685 2.705 -7.753 488 HA GLU 63 HA GLU 63 14.256 1.130 -9.808 489 HB2 GLU 63 2HB GLU 63 16.790 0.242 -8.470 490 HB3 GLU 63 1HB GLU 63 16.166 -0.201 -10.052 491 HG2 GLU 63 2HG GLU 63 16.740 1.961 -10.935 492 HG3 GLU 63 1HG GLU 63 17.212 2.525 -9.331 493 H ASP 64 H ASP 64 14.019 1.750 -6.663 494 HA ASP 64 HA ASP 64 13.315 -1.037 -5.964 495 HB2 ASP 64 2HB ASP 64 15.412 0.100 -4.847 496 HB3 ASP 64 1HB ASP 64 14.206 0.947 -3.891 497 H GLU 65 H GLU 65 11.917 1.582 -6.919 498 HA GLU 65 HA GLU 65 9.864 1.594 -4.806 499 HB2 GLU 65 2HB GLU 65 10.990 3.853 -6.424 500 HB3 GLU 65 1HB GLU 65 9.603 4.022 -5.346 501 HG2 GLU 65 2HG GLU 65 12.223 2.991 -4.329 502 HG3 GLU 65 1HG GLU 65 11.971 4.721 -4.546 503 H SER 66 H SER 66 10.302 0.444 -7.677 504 HA SER 66 HA SER 66 8.715 1.393 -9.629 505 HB2 SER 66 2HB SER 66 8.509 -1.523 -8.988 506 HB3 SER 66 1HB SER 66 8.753 -0.734 -10.548 507 HG SER 66 HG SER 66 10.654 -1.796 -9.586 508 H ILE 67 H ILE 67 6.689 1.964 -9.894 509 HA ILE 67 HA ILE 67 4.610 0.981 -8.055 510 HB ILE 67 HB ILE 67 4.734 3.519 -9.692 511 HG12 ILE 67 2HG1 ILE 67 4.889 3.047 -6.714 512 HG13 ILE 67 1HG1 ILE 67 6.228 3.526 -7.757 513 HG21 ILE 67 1HG2 ILE 67 2.684 4.189 -8.570 514 HG22 ILE 67 2HG2 ILE 67 2.614 2.640 -7.729 515 HG23 ILE 67 3HG2 ILE 67 2.429 2.703 -9.482 516 HD11 ILE 67 1HD1 ILE 67 3.747 5.130 -7.222 517 HD12 ILE 67 2HD1 ILE 67 5.092 5.615 -8.257 518 HD13 ILE 67 3HD1 ILE 67 5.339 5.408 -6.523 519 HA PRO 68 HA PRO 68 2.469 -1.105 -11.415 520 HB2 PRO 68 2HB PRO 68 0.080 -0.047 -9.975 521 HB3 PRO 68 1HB PRO 68 0.410 -1.687 -10.552 522 HG2 PRO 68 2HG PRO 68 0.641 -1.101 -7.975 523 HG3 PRO 68 1HG PRO 68 1.817 -2.170 -8.765 524 HD2 PRO 68 2HD PRO 68 2.098 0.690 -7.944 525 HD3 PRO 68 1HD PRO 68 3.305 -0.613 -7.931 526 H GLU 69 H GLU 69 2.030 -0.353 -13.396 527 HA GLU 69 HA GLU 69 1.991 2.353 -14.042 528 HB2 GLU 69 2HB GLU 69 1.077 -0.036 -15.635 529 HB3 GLU 69 1HB GLU 69 1.226 1.585 -16.304 530 HG2 GLU 69 2HG GLU 69 3.653 1.486 -15.494 531 HG3 GLU 69 1HG GLU 69 3.385 -0.248 -15.324 532 H GLU 70 H GLU 70 -0.625 0.376 -13.020 533 HA GLU 70 HA GLU 70 -2.668 2.003 -14.237 534 HB2 GLU 70 2HB GLU 70 -4.230 0.598 -12.930 535 HB3 GLU 70 1HB GLU 70 -3.126 -0.333 -13.932 536 HG2 GLU 70 2HG GLU 70 -1.698 -0.486 -11.777 537 HG3 GLU 70 1HG GLU 70 -3.199 -0.046 -10.960 538 H ILE 71 H ILE 71 -0.933 2.051 -11.222 539 HA ILE 71 HA ILE 71 -2.873 4.015 -10.189 540 HB ILE 71 HB ILE 71 -2.117 3.524 -7.960 541 HG12 ILE 71 2HG1 ILE 71 -0.088 1.713 -9.293 542 HG13 ILE 71 1HG1 ILE 71 0.246 3.154 -8.339 543 HG21 ILE 71 1HG2 ILE 71 -2.562 0.972 -9.515 544 HG22 ILE 71 2HG2 ILE 71 -3.820 2.045 -8.898 545 HG23 ILE 71 3HG2 ILE 71 -2.779 1.169 -7.774 546 HD11 ILE 71 1HD1 ILE 71 -0.989 0.618 -7.293 547 HD12 ILE 71 2HD1 ILE 71 -0.595 2.054 -6.348 548 HD13 ILE 71 3HD1 ILE 71 0.691 1.108 -7.094 549 H ILE 72 H ILE 72 0.194 3.665 -11.479 550 HA ILE 72 HA ILE 72 1.679 5.682 -10.156 551 HB ILE 72 HB ILE 72 2.377 3.784 -11.727 552 HG12 ILE 72 2HG1 ILE 72 3.689 5.960 -10.756 553 HG13 ILE 72 1HG1 ILE 72 4.466 4.631 -11.607 554 HG21 ILE 72 1HG2 ILE 72 1.938 5.940 -13.764 555 HG22 ILE 72 2HG2 ILE 72 1.088 4.398 -13.662 556 HG23 ILE 72 3HG2 ILE 72 2.806 4.434 -14.050 557 HD11 ILE 72 1HD1 ILE 72 3.528 7.204 -12.863 558 HD12 ILE 72 2HD1 ILE 72 4.350 5.883 -13.690 559 HD13 ILE 72 3HD1 ILE 72 5.195 6.808 -12.448 560 H ASN 73 H ASN 73 -0.855 5.824 -12.449 561 HA ASN 73 HA ASN 73 -0.199 8.627 -13.023 562 HB2 ASN 73 2HB ASN 73 -1.351 6.463 -14.669 563 HB3 ASN 73 1HB ASN 73 -2.066 8.058 -14.880 564 HD21 ASN 73 1HD2 ASN 73 1.239 7.862 -13.922 565 HD22 ASN 73 2HD2 ASN 73 1.927 8.300 -15.447 566 H GLY 74 H GLY 74 -1.785 7.095 -10.842 567 HA2 GLY 74 2HA GLY 74 -4.150 8.911 -11.017 568 HA3 GLY 74 1HA GLY 74 -4.301 7.256 -10.451 569 H LYS 75 H LYS 75 -1.656 9.398 -9.638 570 HA LYS 75 HA LYS 75 -0.833 10.140 -7.664 571 HB2 LYS 75 2HB LYS 75 -2.896 11.557 -7.763 572 HB3 LYS 75 1HB LYS 75 -3.715 10.355 -6.773 573 HG2 LYS 75 2HG LYS 75 -2.940 11.348 -4.952 574 HG3 LYS 75 1HG LYS 75 -1.289 11.017 -5.479 575 HD2 LYS 75 2HD LYS 75 -1.221 13.091 -6.715 576 HD3 LYS 75 1HD LYS 75 -2.916 13.407 -6.337 577 HE2 LYS 75 2HE LYS 75 -2.345 13.514 -3.952 578 HE3 LYS 75 1HE LYS 75 -0.651 13.226 -4.351 579 HZ1 LYS 75 1HZ LYS 75 -2.232 15.549 -5.324 580 HZ2 LYS 75 2HZ LYS 75 -0.566 15.292 -5.527 581 HZ3 LYS 75 3HZ LYS 75 -1.194 15.591 -3.981 582 H CYS 76 H CYS 76 0.251 8.671 -6.600 583 HA CYS 76 HA CYS 76 -1.272 6.428 -5.463 584 HB2 CYS 76 2HB CYS 76 0.675 6.179 -7.220 585 HB3 CYS 76 1HB CYS 76 1.694 6.329 -5.792 586 HG CYS 76 HG CYS 76 -0.665 4.167 -5.139 587 H PHE 77 H PHE 77 -0.310 5.451 -3.509 588 HA PHE 77 HA PHE 77 1.040 7.344 -1.749 589 HB2 PHE 77 2HB PHE 77 -1.594 5.997 -1.131 590 HB3 PHE 77 1HB PHE 77 -0.609 6.846 0.055 591 HD1 PHE 77 1HD PHE 77 -3.288 7.134 -2.169 592 HD2 PHE 77 2HD PHE 77 0.024 9.312 -0.619 593 HE1 PHE 77 1HE PHE 77 -4.398 9.246 -2.770 594 HE2 PHE 77 2HE PHE 77 -1.077 11.424 -1.217 595 HZ PHE 77 HZ PHE 77 -3.289 11.391 -2.303 596 H PHE 78 H PHE 78 2.767 6.272 -1.118 597 HA PHE 78 HA PHE 78 2.709 3.374 -0.917 598 HB2 PHE 78 2HB PHE 78 4.738 4.552 -1.788 599 HB3 PHE 78 1HB PHE 78 4.955 5.277 -0.200 600 HD1 PHE 78 1HD PHE 78 5.858 4.024 1.618 601 HD2 PHE 78 2HD PHE 78 5.093 2.157 -2.115 602 HE1 PHE 78 1HE PHE 78 7.190 2.084 2.325 603 HE2 PHE 78 2HE PHE 78 6.417 0.207 -1.419 604 HZ PHE 78 HZ PHE 78 7.472 0.165 0.807 605 H ILE 79 H ILE 79 1.539 2.737 0.744 606 HA ILE 79 HA ILE 79 1.854 4.131 3.299 607 HB ILE 79 HB ILE 79 -0.163 3.142 4.028 608 HG12 ILE 79 2HG1 ILE 79 0.285 1.372 1.669 609 HG13 ILE 79 1HG1 ILE 79 -0.180 0.956 3.316 610 HG21 ILE 79 1HG2 ILE 79 -1.775 3.968 2.352 611 HG22 ILE 79 2HG2 ILE 79 -0.464 4.094 1.180 612 HG23 ILE 79 3HG2 ILE 79 -0.450 5.099 2.629 613 HD11 ILE 79 1HD1 ILE 79 -1.985 0.529 1.765 614 HD12 ILE 79 2HD1 ILE 79 -1.942 2.209 1.232 615 HD13 ILE 79 3HD1 ILE 79 -2.420 1.820 2.885 616 H HIS 80 H HIS 80 1.523 2.802 5.124 617 HA HIS 80 HA HIS 80 2.785 0.182 5.015 618 HB2 HIS 80 2HB HIS 80 4.630 1.464 5.596 619 HB3 HIS 80 1HB HIS 80 3.662 2.686 6.398 620 HD1 HIS 80 1HD HIS 80 5.380 -0.578 6.980 621 HD2 HIS 80 2HD HIS 80 3.220 2.296 9.050 622 HE1 HIS 80 1HE HIS 80 5.749 -1.096 9.426 623 HE2 HIS 80 2HE HIS 80 4.711 0.862 10.627 624 H TYR 81 H TYR 81 0.952 -0.849 5.447 625 HA TYR 81 HA TYR 81 -1.295 -0.095 6.716 626 HB2 TYR 81 2HB TYR 81 -0.000 -2.809 6.598 627 HB3 TYR 81 1HB TYR 81 -1.586 -2.566 7.334 628 HD1 TYR 81 1HD TYR 81 0.185 -3.090 4.289 629 HD2 TYR 81 2HD TYR 81 -3.380 -1.414 5.895 630 HE1 TYR 81 1HE TYR 81 -0.836 -3.152 2.055 631 HE2 TYR 81 2HE TYR 81 -4.422 -1.482 3.668 632 HH TYR 81 HH TYR 81 -2.616 -2.679 0.823 633 H GLN 82 H GLN 82 -1.836 0.607 8.561 634 HA GLN 82 HA GLN 82 -0.049 0.824 10.741 635 HB2 GLN 82 2HB GLN 82 -2.148 2.258 9.976 636 HB3 GLN 82 1HB GLN 82 -2.981 1.206 11.115 637 HG2 GLN 82 2HG GLN 82 -1.343 1.891 12.848 638 HG3 GLN 82 1HG GLN 82 -0.668 3.040 11.692 639 HE21 GLN 82 1HE2 GLN 82 -4.069 2.276 11.924 640 HE22 GLN 82 2HE2 GLN 82 -4.573 3.815 12.526 641 H GLY 83 H GLY 83 0.311 -0.500 12.389 642 HA2 GLY 83 2HA GLY 83 -0.342 -2.011 14.100 643 HA3 GLY 83 1HA GLY 83 -1.730 -2.474 13.121 644 H TRP 84 H TRP 84 0.490 -2.423 10.882 645 HA TRP 84 HA TRP 84 1.252 -5.224 11.323 646 HB2 TRP 84 2HB TRP 84 0.551 -3.659 8.875 647 HB3 TRP 84 1HB TRP 84 1.654 -5.023 8.723 648 HD1 TRP 84 HD TRP 84 -1.821 -4.365 8.262 649 HE1 TRP 84 1HE TRP 84 -3.275 -6.470 8.580 650 HE3 TRP 84 3HE TRP 84 1.563 -7.343 10.694 651 HZ2 TRP 84 2HZ TRP 84 -3.026 -9.026 9.725 652 HZ3 TRP 84 3HZ TRP 84 0.869 -9.603 11.368 653 HH2 TRP 84 HH TRP 84 -1.379 -10.426 10.894 654 H LYS 85 H LYS 85 3.217 -5.539 9.525 655 HA LYS 85 HA LYS 85 5.367 -3.897 10.648 656 HB2 LYS 85 2HB LYS 85 6.514 -5.999 9.210 657 HB3 LYS 85 1HB LYS 85 6.341 -5.889 10.957 658 HG2 LYS 85 2HG LYS 85 4.328 -7.151 10.925 659 HG3 LYS 85 1HG LYS 85 4.213 -7.044 9.168 660 HD2 LYS 85 2HD LYS 85 5.001 -9.244 9.877 661 HD3 LYS 85 1HD LYS 85 6.236 -8.392 8.951 662 HE2 LYS 85 2HE LYS 85 7.271 -7.691 11.108 663 HE3 LYS 85 1HE LYS 85 6.096 -8.709 11.944 664 HZ1 LYS 85 1HZ LYS 85 8.391 -9.673 11.426 665 HZ2 LYS 85 2HZ LYS 85 7.821 -9.836 9.836 666 HZ3 LYS 85 3HZ LYS 85 7.032 -10.633 11.104 667 H SER 86 H SER 86 7.343 -3.965 8.932 668 HA SER 86 HA SER 86 6.540 -2.226 6.829 669 HB2 SER 86 2HB SER 86 9.213 -3.447 6.640 670 HB3 SER 86 1HB SER 86 8.752 -1.746 6.695 671 HG SER 86 HG SER 86 9.842 -3.096 8.622 672 H SER 87 H SER 87 6.458 -5.554 7.072 673 HA SER 87 HA SER 87 7.166 -6.255 4.393 674 HB2 SER 87 2HB SER 87 5.381 -8.023 5.979 675 HB3 SER 87 1HB SER 87 6.843 -8.421 5.075 676 HG SER 87 HG SER 87 7.335 -8.605 7.232 677 H TRP 88 H TRP 88 4.629 -4.536 5.581 678 HA TRP 88 HA TRP 88 2.767 -5.521 3.522 679 HB2 TRP 88 2HB TRP 88 2.299 -4.279 6.216 680 HB3 TRP 88 1HB TRP 88 1.056 -4.214 4.971 681 HD1 TRP 88 HD TRP 88 2.943 -6.734 7.181 682 HE1 TRP 88 1HE TRP 88 1.563 -8.907 7.298 683 HE3 TRP 88 3HE TRP 88 -0.682 -5.559 3.774 684 HZ2 TRP 88 2HZ TRP 88 -0.767 -9.969 6.098 685 HZ3 TRP 88 3HZ TRP 88 -2.452 -7.206 3.319 686 HH2 TRP 88 HH TRP 88 -2.491 -9.365 4.457 687 H ASP 89 H ASP 89 5.026 -3.327 3.782 688 HA ASP 89 HA ASP 89 3.694 -0.884 3.177 689 HB2 ASP 89 2HB ASP 89 6.534 -1.842 2.963 690 HB3 ASP 89 1HB ASP 89 6.065 -0.271 2.327 691 H GLU 90 H GLU 90 2.596 -0.514 1.347 692 HA GLU 90 HA GLU 90 3.782 -1.276 -1.198 693 HB2 GLU 90 2HB GLU 90 1.710 -2.300 -2.032 694 HB3 GLU 90 1HB GLU 90 2.389 -3.200 -0.686 695 HG2 GLU 90 2HG GLU 90 0.730 -2.409 0.804 696 HG3 GLU 90 1HG GLU 90 0.171 -1.203 -0.353 697 H TRP 91 H TRP 91 2.375 -0.431 -3.039 698 HA TRP 91 HA TRP 91 1.709 2.343 -2.426 699 HB2 TRP 91 2HB TRP 91 2.241 0.846 -4.986 700 HB3 TRP 91 1HB TRP 91 1.593 2.477 -4.981 701 HD1 TRP 91 HD TRP 91 4.813 0.546 -4.634 702 HE1 TRP 91 1HE TRP 91 6.777 2.202 -4.499 703 HE3 TRP 91 3HE TRP 91 2.191 4.900 -3.967 704 HZ2 TRP 91 2HZ TRP 91 7.159 4.983 -4.162 705 HZ3 TRP 91 3HZ TRP 91 3.457 7.004 -3.737 706 HH2 TRP 91 HH TRP 91 5.883 7.033 -3.826 707 H VAL 92 H VAL 92 -0.335 3.006 -2.261 708 HA VAL 92 HA VAL 92 -2.438 1.429 -3.599 709 HB VAL 92 HB VAL 92 -4.038 2.414 -1.912 710 HG11 VAL 92 1HG1 VAL 92 -1.834 0.647 -0.853 711 HG12 VAL 92 2HG1 VAL 92 -3.280 0.120 -1.716 712 HG13 VAL 92 3HG1 VAL 92 -3.422 0.852 -0.116 713 HG21 VAL 92 1HG2 VAL 92 -1.502 3.161 -0.460 714 HG22 VAL 92 2HG2 VAL 92 -3.146 3.304 0.161 715 HG23 VAL 92 3HG2 VAL 92 -2.632 4.291 -1.207 716 H GLY 93 H GLY 93 -4.414 2.917 -4.080 717 HA2 GLY 93 2HA GLY 93 -3.452 5.602 -4.821 718 HA3 GLY 93 1HA GLY 93 -4.200 4.575 -6.039 719 H TYR 94 H TYR 94 -5.377 6.894 -5.732 720 HA TYR 94 HA TYR 94 -7.302 7.232 -3.732 721 HB2 TYR 94 2HB TYR 94 -6.933 8.178 -6.526 722 HB3 TYR 94 1HB TYR 94 -8.521 8.396 -5.800 723 HD1 TYR 94 1HD TYR 94 -5.157 9.606 -5.999 724 HD2 TYR 94 2HD TYR 94 -8.690 9.666 -3.651 725 HE1 TYR 94 1HE TYR 94 -4.344 11.600 -4.850 726 HE2 TYR 94 2HE TYR 94 -7.897 11.663 -2.490 727 HH TYR 94 HH TYR 94 -5.718 13.660 -3.554 728 H ASP 95 H ASP 95 -7.091 4.942 -6.121 729 HA ASP 95 HA ASP 95 -9.917 4.503 -6.529 730 HB2 ASP 95 2HB ASP 95 -8.284 4.105 -8.340 731 HB3 ASP 95 1HB ASP 95 -7.546 2.830 -7.373 732 H ARG 96 H ARG 96 -7.414 3.327 -4.421 733 HA ARG 96 HA ARG 96 -9.324 1.325 -3.381 734 HB2 ARG 96 2HB ARG 96 -6.324 1.136 -3.109 735 HB3 ARG 96 1HB ARG 96 -7.512 -0.100 -2.729 736 HG2 ARG 96 2HG ARG 96 -8.045 0.217 -5.333 737 HG3 ARG 96 1HG ARG 96 -6.345 0.686 -5.326 738 HD2 ARG 96 2HD ARG 96 -7.596 -1.949 -4.721 739 HD3 ARG 96 1HD ARG 96 -6.169 -1.576 -5.684 740 HE ARG 96 HE ARG 96 -6.285 -1.764 -2.750 741 HH11 ARG 96 1HH1 ARG 96 -4.400 -1.515 -5.714 742 HH12 ARG 96 2HH1 ARG 96 -2.898 -1.918 -4.926 743 HH21 ARG 96 1HH2 ARG 96 -4.313 -2.260 -1.728 744 HH22 ARG 96 2HH2 ARG 96 -2.844 -2.302 -2.649 745 H ILE 97 H ILE 97 -7.571 4.123 -2.774 746 HA ILE 97 HA ILE 97 -7.381 3.707 0.082 747 HB ILE 97 HB ILE 97 -5.857 5.170 -1.668 748 HG12 ILE 97 2HG1 ILE 97 -6.117 5.543 1.303 749 HG13 ILE 97 1HG1 ILE 97 -5.194 4.277 0.505 750 HG21 ILE 97 1HG2 ILE 97 -7.550 6.933 -1.773 751 HG22 ILE 97 2HG2 ILE 97 -6.045 7.491 -1.043 752 HG23 ILE 97 3HG2 ILE 97 -7.439 7.126 -0.022 753 HD11 ILE 97 1HD1 ILE 97 -3.761 6.067 1.316 754 HD12 ILE 97 2HD1 ILE 97 -4.648 7.226 0.324 755 HD13 ILE 97 3HD1 ILE 97 -3.711 5.944 -0.442 756 H ARG 98 H ARG 98 -8.511 4.718 1.613 757 HA ARG 98 HA ARG 98 -10.769 6.437 0.800 758 HB2 ARG 98 2HB ARG 98 -10.896 4.288 2.927 759 HB3 ARG 98 1HB ARG 98 -12.211 5.337 2.428 760 HG2 ARG 98 2HG ARG 98 -10.915 3.163 0.806 761 HG3 ARG 98 1HG ARG 98 -12.537 3.153 1.497 762 HD2 ARG 98 2HD ARG 98 -11.496 4.933 -0.700 763 HD3 ARG 98 1HD ARG 98 -12.677 3.636 -0.855 764 HE ARG 98 HE ARG 98 -14.135 5.067 0.607 765 HH11 ARG 98 1HH1 ARG 98 -11.591 6.466 -1.355 766 HH12 ARG 98 2HH1 ARG 98 -12.408 7.989 -1.549 767 HH21 ARG 98 1HH2 ARG 98 -15.224 7.076 0.333 768 HH22 ARG 98 2HH2 ARG 98 -14.445 8.342 -0.582 769 H ALA 99 H ALA 99 -11.707 7.460 2.979 770 HA ALA 99 HA ALA 99 -9.382 8.608 4.340 771 HB1 ALA 99 1HB ALA 99 -10.941 10.409 5.007 772 HB2 ALA 99 2HB ALA 99 -12.244 9.609 4.129 773 HB3 ALA 99 3HB ALA 99 -10.852 10.247 3.252 774 H TYR 100 H TYR 100 -9.011 7.484 6.085 775 HA TYR 100 HA TYR 100 -10.691 5.813 7.505 776 HB2 TYR 100 2HB TYR 100 -8.282 5.815 7.665 777 HB3 TYR 100 1HB TYR 100 -8.300 7.452 8.293 778 HD1 TYR 100 1HD TYR 100 -8.306 3.970 9.049 779 HD2 TYR 100 2HD TYR 100 -9.317 7.772 10.649 780 HE1 TYR 100 1HE TYR 100 -8.215 3.031 11.316 781 HE2 TYR 100 2HE TYR 100 -9.231 6.848 12.924 782 HH TYR 100 HH TYR 100 -8.004 3.645 13.566 783 H ASN 101 H ASN 101 -12.679 6.615 8.011 784 HA ASN 101 HA ASN 101 -12.823 8.555 10.149 785 HB2 ASN 101 2HB ASN 101 -14.037 10.208 9.071 786 HB3 ASN 101 1HB ASN 101 -12.933 9.722 7.794 787 HD21 ASN 101 1HD2 ASN 101 -13.775 8.200 6.177 788 HD22 ASN 101 2HD2 ASN 101 -15.463 8.267 5.768 789 H GLU 102 H GLU 102 -15.343 8.912 10.564 790 HA GLU 102 HA GLU 102 -16.259 6.393 11.473 791 HB2 GLU 102 2HB GLU 102 -17.286 9.171 11.532 792 HB3 GLU 102 1HB GLU 102 -18.443 7.879 11.817 793 HG2 GLU 102 2HG GLU 102 -15.886 8.286 13.343 794 HG3 GLU 102 1HG GLU 102 -17.492 8.769 13.885 795 H GLU 103 H GLU 103 -16.493 7.560 8.365 796 HA GLU 103 HA GLU 103 -19.112 6.377 7.874 797 HB2 GLU 103 2HB GLU 103 -19.015 8.393 6.759 798 HB3 GLU 103 1HB GLU 103 -17.317 8.206 6.345 799 HG2 GLU 103 2HG GLU 103 -18.716 6.122 5.068 800 HG3 GLU 103 1HG GLU 103 -19.619 7.610 4.793 801 H ASN 104 H ASN 104 -15.747 5.999 6.695 802 HA ASN 104 HA ASN 104 -16.551 3.695 5.127 803 HB2 ASN 104 2HB ASN 104 -14.269 3.626 4.325 804 HB3 ASN 104 1HB ASN 104 -14.872 5.277 4.236 805 HD21 ASN 104 1HD2 ASN 104 -12.148 4.261 4.335 806 HD22 ASN 104 2HD2 ASN 104 -11.408 5.022 5.697 807 H ILE 105 H ILE 105 -14.902 4.381 8.118 808 HA ILE 105 HA ILE 105 -13.879 1.788 8.598 809 HB ILE 105 HB ILE 105 -14.729 3.913 10.524 810 HG12 ILE 105 2HG1 ILE 105 -12.063 3.231 9.288 811 HG13 ILE 105 1HG1 ILE 105 -13.000 4.705 9.034 812 HG21 ILE 105 1HG2 ILE 105 -14.625 1.752 11.612 813 HG22 ILE 105 2HG2 ILE 105 -13.279 2.767 12.130 814 HG23 ILE 105 3HG2 ILE 105 -13.011 1.484 10.951 815 HD11 ILE 105 1HD1 ILE 105 -11.798 3.830 11.637 816 HD12 ILE 105 2HD1 ILE 105 -12.678 5.330 11.334 817 HD13 ILE 105 3HD1 ILE 105 -11.128 5.040 10.542 818 H ALA 106 H ALA 106 -16.907 3.400 9.091 819 HA ALA 106 HA ALA 106 -18.209 1.648 10.800 820 HB1 ALA 106 1HB ALA 106 -20.290 2.550 9.827 821 HB2 ALA 106 2HB ALA 106 -19.344 3.291 8.534 822 HB3 ALA 106 3HB ALA 106 -19.126 3.818 10.204 823 H MET 107 H MET 107 -17.578 1.527 7.358 824 HA MET 107 HA MET 107 -19.212 -0.814 6.945 825 HB2 MET 107 2HB MET 107 -18.355 1.018 5.182 826 HB3 MET 107 1HB MET 107 -17.039 -0.136 5.027 827 HG2 MET 107 2HG MET 107 -18.599 -1.885 4.450 828 HG3 MET 107 1HG MET 107 -19.955 -0.778 4.663 829 HE1 MET 107 1HE MET 107 -20.646 -1.694 2.133 830 HE2 MET 107 2HE MET 107 -19.144 -2.614 2.073 831 HE3 MET 107 3HE MET 107 -19.562 -1.525 0.753 832 H LYS 108 H LYS 108 -15.759 -0.068 7.287 833 HA LYS 108 HA LYS 108 -14.599 -2.496 6.787 834 HB2 LYS 108 2HB LYS 108 -13.305 -0.504 7.169 835 HB3 LYS 108 1HB LYS 108 -13.884 -0.392 8.823 836 HG2 LYS 108 2HG LYS 108 -12.698 -2.929 8.548 837 HG3 LYS 108 1HG LYS 108 -11.604 -1.762 7.800 838 HD2 LYS 108 2HD LYS 108 -12.444 -0.520 10.132 839 HD3 LYS 108 1HD LYS 108 -12.204 -2.203 10.601 840 HE2 LYS 108 2HE LYS 108 -10.056 -1.358 8.904 841 HE3 LYS 108 1HE LYS 108 -10.249 -0.208 10.228 842 HZ1 LYS 108 1HZ LYS 108 -8.751 -1.916 10.914 843 HZ2 LYS 108 2HZ LYS 108 -9.841 -3.140 10.471 844 HZ3 LYS 108 3HZ LYS 108 -10.202 -2.124 11.773 845 H LYS 109 H LYS 109 -16.098 -1.368 9.757 846 HA LYS 109 HA LYS 109 -15.438 -3.564 11.413 847 HB2 LYS 109 2HB LYS 109 -18.032 -2.012 11.580 848 HB3 LYS 109 1HB LYS 109 -17.207 -2.854 12.882 849 HG2 LYS 109 2HG LYS 109 -16.106 -0.439 11.470 850 HG3 LYS 109 1HG LYS 109 -17.035 -0.383 12.973 851 HD2 LYS 109 2HD LYS 109 -15.142 -2.233 13.574 852 HD3 LYS 109 1HD LYS 109 -14.250 -1.168 12.485 853 HE2 LYS 109 2HE LYS 109 -13.920 -0.277 14.645 854 HE3 LYS 109 1HE LYS 109 -15.119 0.759 13.876 855 HZ1 LYS 109 1HZ LYS 109 -15.780 0.280 16.119 856 HZ2 LYS 109 2HZ LYS 109 -15.668 -1.388 15.855 857 HZ3 LYS 109 3HZ LYS 109 -16.859 -0.483 15.056 858 H ARG 110 H ARG 110 -18.285 -2.955 9.437 859 HA ARG 110 HA ARG 110 -19.455 -5.503 9.966 860 HB2 ARG 110 2HB ARG 110 -20.610 -3.339 9.192 861 HB3 ARG 110 1HB ARG 110 -20.036 -3.751 7.592 862 HG2 ARG 110 2HG ARG 110 -21.244 -5.885 7.720 863 HG3 ARG 110 1HG ARG 110 -21.860 -5.420 9.308 864 HD2 ARG 110 2HD ARG 110 -23.551 -4.938 7.696 865 HD3 ARG 110 1HD ARG 110 -22.869 -3.403 8.239 866 HE ARG 110 HE ARG 110 -22.154 -4.712 5.680 867 HH11 ARG 110 1HH1 ARG 110 -22.811 -1.856 7.598 868 HH12 ARG 110 2HH1 ARG 110 -22.690 -0.764 6.257 869 HH21 ARG 110 1HH2 ARG 110 -21.985 -3.281 3.914 870 HH22 ARG 110 2HH2 ARG 110 -22.186 -1.567 4.162 871 H LEU 111 H LEU 111 -17.199 -4.192 7.773 872 HA LEU 111 HA LEU 111 -17.347 -6.133 5.726 873 HB2 LEU 111 2HB LEU 111 -15.647 -3.862 6.471 874 HB3 LEU 111 1HB LEU 111 -14.891 -5.048 5.446 875 HG LEU 111 HG LEU 111 -17.557 -3.979 4.815 876 HD11 LEU 111 1HD1 LEU 111 -16.509 -2.258 3.402 877 HD12 LEU 111 2HD1 LEU 111 -14.930 -2.737 4.025 878 HD13 LEU 111 3HD1 LEU 111 -16.125 -2.024 5.107 879 HD21 LEU 111 1HD2 LEU 111 -16.934 -4.434 2.524 880 HD22 LEU 111 2HD2 LEU 111 -16.900 -5.869 3.552 881 HD23 LEU 111 3HD2 LEU 111 -15.393 -5.070 3.096 882 H ALA 112 H ALA 112 -15.239 -5.780 8.575 883 HA ALA 112 HA ALA 112 -13.683 -8.061 7.802 884 HB1 ALA 112 1HB ALA 112 -12.673 -7.900 10.014 885 HB2 ALA 112 2HB ALA 112 -13.931 -6.770 10.520 886 HB3 ALA 112 3HB ALA 112 -12.777 -6.305 9.270 887 H ASN 113 H ASN 113 -16.724 -7.607 9.085 888 HA ASN 113 HA ASN 113 -16.822 -10.271 10.258 889 HB2 ASN 113 2HB ASN 113 -18.526 -7.834 10.451 890 HB3 ASN 113 1HB ASN 113 -19.275 -9.403 10.729 891 HD21 ASN 113 1HD2 ASN 113 -17.112 -7.012 11.940 892 HD22 ASN 113 2HD2 ASN 113 -16.831 -7.745 13.488 893 H GLU 114 H GLU 114 -18.090 -8.354 7.592 894 HA GLU 114 HA GLU 114 -19.846 -10.404 6.624 895 HB2 GLU 114 2HB GLU 114 -18.994 -7.713 5.676 896 HB3 GLU 114 1HB GLU 114 -19.609 -8.836 4.472 897 HG2 GLU 114 2HG GLU 114 -21.588 -9.131 6.110 898 HG3 GLU 114 1HG GLU 114 -21.012 -7.621 6.809 899 H ALA 115 H ALA 115 -16.573 -9.231 5.805 900 HA ALA 115 HA ALA 115 -16.308 -11.086 3.610 901 HB1 ALA 115 1HB ALA 115 -13.908 -10.513 3.690 902 HB2 ALA 115 2HB ALA 115 -14.184 -9.621 5.186 903 HB3 ALA 115 3HB ALA 115 -14.933 -9.078 3.684 904 H LYS 116 H LYS 116 -16.540 -11.476 6.837 905 HA LYS 116 HA LYS 116 -14.767 -13.767 7.059 906 HB2 LYS 116 2HB LYS 116 -14.596 -13.060 9.170 907 HB3 LYS 116 1HB LYS 116 -15.682 -11.738 8.787 908 HG2 LYS 116 2HG LYS 116 -17.540 -12.845 9.651 909 HG3 LYS 116 1HG LYS 116 -16.744 -14.422 9.609 910 HD2 LYS 116 2HD LYS 116 -15.105 -13.405 11.305 911 HD3 LYS 116 1HD LYS 116 -16.317 -12.141 11.510 912 HE2 LYS 116 2HE LYS 116 -17.959 -13.750 12.207 913 HE3 LYS 116 1HE LYS 116 -16.874 -15.086 11.823 914 HZ1 LYS 116 1HZ LYS 116 -16.905 -14.647 14.192 915 HZ2 LYS 116 2HZ LYS 116 -16.437 -13.041 13.928 916 HZ3 LYS 116 3HZ LYS 116 -15.370 -14.302 13.558 917 H GLU 117 H GLU 117 -18.076 -12.981 6.524 918 HA GLU 117 HA GLU 117 -19.185 -15.480 7.399 919 HB2 GLU 117 2HB GLU 117 -20.461 -13.566 5.441 920 HB3 GLU 117 1HB GLU 117 -21.256 -14.690 6.532 921 HG2 GLU 117 2HG GLU 117 -19.598 -12.478 7.651 922 HG3 GLU 117 1HG GLU 117 -21.216 -12.139 7.046 923 H ALA 118 H ALA 118 -17.522 -16.738 6.208 924 HA ALA 118 HA ALA 118 -17.446 -16.855 3.388 925 HB1 ALA 118 1HB ALA 118 -15.644 -17.727 4.768 926 HB2 ALA 118 2HB ALA 118 -16.273 -18.988 3.706 927 HB3 ALA 118 3HB ALA 118 -16.717 -18.967 5.414 928 H LYS 119 H LYS 119 -19.272 -17.140 2.311 929 HA LYS 119 HA LYS 119 -21.063 -18.128 1.366 930 HB2 LYS 119 2HB LYS 119 -20.126 -20.589 2.849 931 HB3 LYS 119 1HB LYS 119 -21.376 -20.576 1.612 932 HG2 LYS 119 2HG LYS 119 -19.448 -19.446 0.196 933 HG3 LYS 119 1HG LYS 119 -18.433 -20.310 1.354 934 HD2 LYS 119 2HD LYS 119 -20.603 -21.567 -0.329 935 HD3 LYS 119 1HD LYS 119 -18.879 -21.619 -0.697 936 HE2 LYS 119 2HE LYS 119 -18.421 -22.900 1.259 937 HE3 LYS 119 1HE LYS 119 -20.059 -22.655 1.871 938 HZ1 LYS 119 1HZ LYS 119 -20.092 -23.841 -0.716 939 HZ2 LYS 119 2HZ LYS 119 -20.778 -24.400 0.731 940 HZ3 LYS 119 3HZ LYS 119 -19.166 -24.769 0.361 941 H LYS 120 H LYS 120 -21.119 -16.914 4.074 942 HA LYS 120 HA LYS 120 -22.637 -16.417 5.686 943 HB2 LYS 120 2HB LYS 120 -24.111 -16.868 3.397 944 HB3 LYS 120 1HB LYS 120 -24.887 -17.920 4.576 945 HG2 LYS 120 2HG LYS 120 -25.104 -15.967 6.096 946 HG3 LYS 120 1HG LYS 120 -24.473 -14.947 4.800 947 HD2 LYS 120 2HD LYS 120 -26.912 -16.696 4.524 948 HD3 LYS 120 1HD LYS 120 -26.974 -14.991 4.975 949 HE2 LYS 120 2HE LYS 120 -25.956 -14.362 2.876 950 HE3 LYS 120 1HE LYS 120 -25.753 -16.056 2.433 951 HZ1 LYS 120 1HZ LYS 120 -27.718 -14.878 1.431 952 HZ2 LYS 120 2HZ LYS 120 -28.408 -14.857 2.981 953 HZ3 LYS 120 3HZ LYS 120 -28.073 -16.338 2.230 Start of MODEL 4 1 H MET 1 1HT MET 1 -14.080 21.448 4.322 2 HA MET 1 HA MET 1 -13.645 19.195 5.149 3 HB2 MET 1 2HB MET 1 -16.502 18.925 4.334 4 HB3 MET 1 1HB MET 1 -15.440 17.551 4.048 5 HG2 MET 1 2HG MET 1 -14.854 17.494 6.408 6 HG3 MET 1 1HG MET 1 -15.883 18.890 6.706 7 HE1 MET 1 1HE MET 1 -18.438 18.346 4.932 8 HE2 MET 1 2HE MET 1 -18.482 18.879 6.610 9 HE3 MET 1 3HE MET 1 -19.458 17.503 6.099 10 H VAL 2 H VAL 2 -12.119 20.028 3.603 11 HA VAL 2 HA VAL 2 -12.604 19.117 0.839 12 HB VAL 2 HB VAL 2 -10.218 20.745 1.478 13 HG11 VAL 2 1HG1 VAL 2 -10.669 21.724 -0.716 14 HG12 VAL 2 2HG1 VAL 2 -12.194 20.844 -0.804 15 HG13 VAL 2 3HG1 VAL 2 -10.666 19.963 -0.797 16 HG21 VAL 2 1HG2 VAL 2 -11.848 21.942 2.777 17 HG22 VAL 2 2HG2 VAL 2 -12.986 21.941 1.430 18 HG23 VAL 2 3HG2 VAL 2 -11.488 22.868 1.320 19 H ASP 3 H ASP 3 -11.629 17.986 3.475 20 HA ASP 3 HA ASP 3 -8.975 17.085 3.239 21 HB2 ASP 3 2HB ASP 3 -10.075 15.302 4.943 22 HB3 ASP 3 1HB ASP 3 -9.587 16.929 5.408 23 H LEU 4 H LEU 4 -10.135 16.464 0.784 24 HA LEU 4 HA LEU 4 -10.672 13.616 0.762 25 HB2 LEU 4 2HB LEU 4 -10.829 13.953 -1.723 26 HB3 LEU 4 1HB LEU 4 -11.985 14.869 -0.776 27 HG LEU 4 HG LEU 4 -9.951 16.672 -1.050 28 HD11 LEU 4 1HD1 LEU 4 -8.736 15.181 -2.571 29 HD12 LEU 4 2HD1 LEU 4 -9.274 16.652 -3.387 30 HD13 LEU 4 3HD1 LEU 4 -10.141 15.135 -3.636 31 HD21 LEU 4 1HD2 LEU 4 -12.302 16.230 -2.882 32 HD22 LEU 4 2HD2 LEU 4 -11.406 17.737 -2.704 33 HD23 LEU 4 3HD2 LEU 4 -12.331 17.096 -1.345 34 H GLU 5 H GLU 5 -8.034 15.576 0.899 35 HA GLU 5 HA GLU 5 -6.263 13.393 0.116 36 HB2 GLU 5 2HB GLU 5 -4.759 15.143 -1.018 37 HB3 GLU 5 1HB GLU 5 -6.175 14.590 -1.904 38 HG2 GLU 5 2HG GLU 5 -6.911 16.657 -2.072 39 HG3 GLU 5 1HG GLU 5 -6.895 16.835 -0.319 40 H GLN 6 H GLN 6 -7.228 15.368 2.434 41 HA GLN 6 HA GLN 6 -4.695 16.344 3.417 42 HB2 GLN 6 2HB GLN 6 -6.994 17.445 3.741 43 HB3 GLN 6 1HB GLN 6 -7.269 16.223 4.973 44 HG2 GLN 6 2HG GLN 6 -5.290 17.013 6.186 45 HG3 GLN 6 1HG GLN 6 -5.053 18.258 4.962 46 HE21 GLN 6 1HE2 GLN 6 -7.944 18.671 4.663 47 HE22 GLN 6 2HE2 GLN 6 -8.443 19.559 6.058 48 H GLU 7 H GLU 7 -6.977 13.773 4.145 49 HA GLU 7 HA GLU 7 -5.342 12.763 6.327 50 HB2 GLU 7 2HB GLU 7 -7.524 11.089 5.225 51 HB3 GLU 7 1HB GLU 7 -7.125 11.451 6.898 52 HG2 GLU 7 2HG GLU 7 -7.981 13.869 5.922 53 HG3 GLU 7 1HG GLU 7 -9.033 12.706 5.114 54 H PHE 8 H PHE 8 -5.251 12.731 3.105 55 HA PHE 8 HA PHE 8 -4.022 10.080 2.864 56 HB2 PHE 8 2HB PHE 8 -4.948 11.594 0.446 57 HB3 PHE 8 1HB PHE 8 -4.779 9.861 0.666 58 HD1 PHE 8 1HD PHE 8 -6.834 12.472 2.415 59 HD2 PHE 8 2HD PHE 8 -6.764 8.822 0.219 60 HE1 PHE 8 1HE PHE 8 -9.273 12.312 2.610 61 HE2 PHE 8 2HE PHE 8 -9.210 8.659 0.425 62 HZ PHE 8 HZ PHE 8 -10.466 10.411 1.613 63 H ALA 9 H ALA 9 -2.394 11.671 3.899 64 HA ALA 9 HA ALA 9 -0.718 12.609 1.778 65 HB1 ALA 9 1HB ALA 9 -0.462 14.842 2.747 66 HB2 ALA 9 2HB ALA 9 -1.672 14.448 3.967 67 HB3 ALA 9 3HB ALA 9 -2.131 14.537 2.267 68 H LEU 10 H LEU 10 0.815 14.155 3.566 69 HA LEU 10 HA LEU 10 2.783 12.345 4.265 70 HB2 LEU 10 2HB LEU 10 2.184 15.170 4.952 71 HB3 LEU 10 1HB LEU 10 3.486 14.355 5.791 72 HG LEU 10 HG LEU 10 4.455 13.830 3.474 73 HD11 LEU 10 1HD1 LEU 10 2.538 16.015 2.678 74 HD12 LEU 10 2HD1 LEU 10 2.392 14.318 2.219 75 HD13 LEU 10 3HD1 LEU 10 3.769 15.269 1.659 76 HD21 LEU 10 1HD2 LEU 10 5.429 15.491 4.949 77 HD22 LEU 10 2HD2 LEU 10 4.252 16.689 4.408 78 HD23 LEU 10 3HD2 LEU 10 5.456 16.066 3.280 79 H GLY 11 H GLY 11 2.318 10.668 5.603 80 HA2 GLY 11 2HA GLY 11 2.137 9.615 7.636 81 HA3 GLY 11 1HA GLY 11 2.292 11.185 8.409 82 H GLY 12 H GLY 12 -0.161 10.563 6.050 83 HA2 GLY 12 2HA GLY 12 -2.205 11.113 8.044 84 HA3 GLY 12 1HA GLY 12 -2.440 11.002 6.304 85 H ARG 13 H ARG 13 -3.780 9.751 8.701 86 HA ARG 13 HA ARG 13 -3.297 6.925 8.268 87 HB2 ARG 13 2HB ARG 13 -4.964 6.569 10.021 88 HB3 ARG 13 1HB ARG 13 -3.766 7.745 10.548 89 HG2 ARG 13 2HG ARG 13 -5.573 9.422 9.545 90 HG3 ARG 13 1HG ARG 13 -6.640 8.086 9.977 91 HD2 ARG 13 2HD ARG 13 -6.206 8.285 12.227 92 HD3 ARG 13 1HD ARG 13 -4.629 9.033 11.965 93 HE ARG 13 HE ARG 13 -6.153 10.955 11.056 94 HH11 ARG 13 1HH1 ARG 13 -6.764 8.938 13.874 95 HH12 ARG 13 2HH1 ARG 13 -7.621 10.189 14.716 96 HH21 ARG 13 1HH2 ARG 13 -7.283 12.569 12.160 97 HH22 ARG 13 2HH2 ARG 13 -7.924 12.253 13.750 98 H CYS 14 H CYS 14 -4.352 5.760 6.799 99 HA CYS 14 HA CYS 14 -6.959 6.704 5.882 100 HB2 CYS 14 2HB CYS 14 -4.490 6.437 4.262 101 HB3 CYS 14 1HB CYS 14 -5.995 5.900 3.527 102 HG CYS 14 HG CYS 14 -5.371 9.036 4.741 103 H LEU 15 H LEU 15 -8.022 5.155 4.480 104 HA LEU 15 HA LEU 15 -7.553 2.392 5.380 105 HB2 LEU 15 2HB LEU 15 -10.018 3.853 4.437 106 HB3 LEU 15 1HB LEU 15 -9.948 2.105 4.534 107 HG LEU 15 HG LEU 15 -9.512 3.936 6.891 108 HD11 LEU 15 1HD1 LEU 15 -11.767 4.223 6.144 109 HD12 LEU 15 2HD1 LEU 15 -11.784 3.181 7.567 110 HD13 LEU 15 3HD1 LEU 15 -11.978 2.481 5.960 111 HD21 LEU 15 1HD2 LEU 15 -10.008 0.963 6.729 112 HD22 LEU 15 2HD2 LEU 15 -9.821 1.908 8.207 113 HD23 LEU 15 3HD2 LEU 15 -8.464 1.730 7.096 114 H ALA 16 H ALA 16 -7.436 0.770 3.768 115 HA ALA 16 HA ALA 16 -7.510 1.737 1.021 116 HB1 ALA 16 1HB ALA 16 -5.300 0.799 0.498 117 HB2 ALA 16 2HB ALA 16 -5.063 0.434 2.207 118 HB3 ALA 16 3HB ALA 16 -5.205 2.108 1.678 119 H PHE 17 H PHE 17 -7.650 0.045 -0.538 120 HA PHE 17 HA PHE 17 -9.059 -2.215 0.620 121 HB2 PHE 17 2HB PHE 17 -8.947 -0.953 -2.069 122 HB3 PHE 17 1HB PHE 17 -9.384 -2.656 -1.972 123 HD1 PHE 17 1HD PHE 17 -10.542 0.701 -1.679 124 HD2 PHE 17 2HD PHE 17 -11.286 -3.290 -0.402 125 HE1 PHE 17 1HE PHE 17 -12.862 1.311 -1.113 126 HE2 PHE 17 2HE PHE 17 -13.603 -2.685 0.164 127 HZ PHE 17 HZ PHE 17 -14.395 -0.381 -0.196 128 H HIS 18 H HIS 18 -7.748 -3.704 1.333 129 HA HIS 18 HA HIS 18 -5.587 -4.686 -0.387 130 HB2 HIS 18 2HB HIS 18 -5.151 -4.202 2.073 131 HB3 HIS 18 1HB HIS 18 -6.231 -5.541 2.449 132 HD2 HIS 18 2HD HIS 18 -5.168 -8.072 2.132 133 HE1 HIS 18 1HE HIS 18 -1.330 -6.745 0.940 134 HE2 HIS 18 2HE HIS 18 -2.757 -8.769 1.463 135 H GLY 19 H GLY 19 -6.615 -5.860 -1.889 136 HA2 GLY 19 2HA GLY 19 -7.625 -7.740 -2.765 137 HA3 GLY 19 1HA GLY 19 -7.765 -8.375 -1.128 138 HA PRO 20 HA PRO 20 -12.027 -7.182 -1.732 139 HB2 PRO 20 2HB PRO 20 -12.914 -8.871 0.286 140 HB3 PRO 20 1HB PRO 20 -12.720 -9.298 -1.414 141 HG2 PRO 20 2HG PRO 20 -11.240 -10.312 0.782 142 HG3 PRO 20 1HG PRO 20 -10.923 -10.596 -0.936 143 HD2 PRO 20 2HD PRO 20 -9.644 -8.665 0.934 144 HD3 PRO 20 1HD PRO 20 -8.963 -9.483 -0.492 145 H LEU 21 H LEU 21 -10.133 -6.561 1.095 146 HA LEU 21 HA LEU 21 -12.447 -5.100 2.171 147 HB2 LEU 21 2HB LEU 21 -10.600 -6.945 3.582 148 HB3 LEU 21 1HB LEU 21 -11.281 -5.583 4.460 149 HG LEU 21 HG LEU 21 -12.751 -7.867 3.172 150 HD11 LEU 21 1HD1 LEU 21 -12.698 -6.779 5.981 151 HD12 LEU 21 2HD1 LEU 21 -11.869 -8.231 5.421 152 HD13 LEU 21 3HD1 LEU 21 -13.632 -8.166 5.425 153 HD21 LEU 21 1HD2 LEU 21 -14.827 -6.742 3.815 154 HD22 LEU 21 2HD2 LEU 21 -13.932 -5.793 2.627 155 HD23 LEU 21 3HD2 LEU 21 -13.908 -5.328 4.329 156 H MET 22 H MET 22 -11.862 -3.640 3.951 157 HA MET 22 HA MET 22 -9.874 -1.742 3.039 158 HB2 MET 22 2HB MET 22 -12.457 -1.416 3.828 159 HB3 MET 22 1HB MET 22 -11.631 -1.142 5.357 160 HG2 MET 22 2HG MET 22 -11.515 0.969 4.662 161 HG3 MET 22 1HG MET 22 -10.152 0.400 3.698 162 HE1 MET 22 1HE MET 22 -14.442 0.806 2.043 163 HE2 MET 22 2HE MET 22 -14.003 1.222 3.701 164 HE3 MET 22 3HE MET 22 -13.948 -0.458 3.167 165 H TYR 23 H TYR 23 -8.012 -1.430 4.097 166 HA TYR 23 HA TYR 23 -7.858 -2.310 6.902 167 HB2 TYR 23 2HB TYR 23 -5.909 -2.796 4.661 168 HB3 TYR 23 1HB TYR 23 -5.381 -2.785 6.344 169 HD1 TYR 23 1HD TYR 23 -6.006 -4.551 7.855 170 HD2 TYR 23 2HD TYR 23 -7.394 -4.567 3.835 171 HE1 TYR 23 1HE TYR 23 -6.704 -6.891 8.116 172 HE2 TYR 23 2HE TYR 23 -8.098 -6.911 4.083 173 HH TYR 23 HH TYR 23 -7.539 -8.864 5.497 174 H GLU 24 H GLU 24 -6.638 -1.018 8.279 175 HA GLU 24 HA GLU 24 -6.367 1.713 7.364 176 HB2 GLU 24 2HB GLU 24 -5.753 2.131 9.789 177 HB3 GLU 24 1HB GLU 24 -7.377 1.530 9.485 178 HG2 GLU 24 2HG GLU 24 -6.286 -0.798 9.933 179 HG3 GLU 24 1HG GLU 24 -5.056 0.160 10.753 180 H ALA 25 H ALA 25 -4.515 2.885 7.230 181 HA ALA 25 HA ALA 25 -1.976 1.706 7.965 182 HB1 ALA 25 1HB ALA 25 -1.029 1.723 5.734 183 HB2 ALA 25 2HB ALA 25 -2.573 2.248 5.064 184 HB3 ALA 25 3HB ALA 25 -2.428 0.654 5.802 185 H LYS 26 H LYS 26 -0.200 3.130 7.787 186 HA LYS 26 HA LYS 26 -0.960 5.967 7.811 187 HB2 LYS 26 2HB LYS 26 0.264 5.007 9.770 188 HB3 LYS 26 1HB LYS 26 1.614 4.650 8.706 189 HG2 LYS 26 2HG LYS 26 1.498 7.206 8.178 190 HG3 LYS 26 1HG LYS 26 0.646 7.279 9.721 191 HD2 LYS 26 2HD LYS 26 2.575 6.049 10.749 192 HD3 LYS 26 1HD LYS 26 3.430 6.234 9.215 193 HE2 LYS 26 2HE LYS 26 2.992 8.732 9.464 194 HE3 LYS 26 1HE LYS 26 2.535 8.374 11.130 195 HZ1 LYS 26 1HZ LYS 26 4.881 7.131 11.000 196 HZ2 LYS 26 2HZ LYS 26 4.727 8.752 11.477 197 HZ3 LYS 26 3HZ LYS 26 5.163 8.375 9.886 198 H ILE 27 H ILE 27 -0.483 7.198 6.120 199 HA ILE 27 HA ILE 27 1.028 6.126 3.921 200 HB ILE 27 HB ILE 27 -0.028 8.938 4.227 201 HG12 ILE 27 2HG1 ILE 27 -1.392 6.626 2.838 202 HG13 ILE 27 1HG1 ILE 27 -1.752 7.078 4.502 203 HG21 ILE 27 1HG2 ILE 27 1.608 8.681 2.446 204 HG22 ILE 27 2HG2 ILE 27 -0.002 8.896 1.757 205 HG23 ILE 27 3HG2 ILE 27 0.726 7.292 1.811 206 HD11 ILE 27 1HD1 ILE 27 -2.136 8.773 2.054 207 HD12 ILE 27 2HD1 ILE 27 -2.435 9.299 3.711 208 HD13 ILE 27 3HD1 ILE 27 -3.394 7.993 3.013 209 H LEU 28 H LEU 28 3.072 6.055 3.863 210 HA LEU 28 HA LEU 28 4.676 7.904 5.407 211 HB2 LEU 28 2HB LEU 28 4.934 5.288 5.051 212 HB3 LEU 28 1HB LEU 28 5.875 5.813 3.667 213 HG LEU 28 HG LEU 28 6.953 7.375 5.522 214 HD11 LEU 28 1HD1 LEU 28 7.280 6.096 7.589 215 HD12 LEU 28 2HD1 LEU 28 6.096 4.919 7.021 216 HD13 LEU 28 3HD1 LEU 28 5.604 6.582 7.342 217 HD21 LEU 28 1HD2 LEU 28 7.734 4.502 5.088 218 HD22 LEU 28 2HD2 LEU 28 8.786 5.796 5.663 219 HD23 LEU 28 3HD2 LEU 28 8.142 5.845 4.020 220 H LYS 29 H LYS 29 4.010 7.093 2.044 221 HA LYS 29 HA LYS 29 5.413 9.566 1.311 222 HB2 LYS 29 2HB LYS 29 5.585 7.119 -0.450 223 HB3 LYS 29 1HB LYS 29 6.553 8.585 -0.519 224 HG2 LYS 29 2HG LYS 29 7.603 7.961 1.616 225 HG3 LYS 29 1HG LYS 29 6.675 6.459 1.609 226 HD2 LYS 29 2HD LYS 29 7.745 5.837 -0.527 227 HD3 LYS 29 1HD LYS 29 8.712 7.311 -0.454 228 HE2 LYS 29 2HE LYS 29 9.656 6.563 1.688 229 HE3 LYS 29 1HE LYS 29 8.723 5.073 1.563 230 HZ1 LYS 29 1HZ LYS 29 10.766 4.452 0.757 231 HZ2 LYS 29 2HZ LYS 29 11.062 5.931 -0.007 232 HZ3 LYS 29 3HZ LYS 29 9.958 4.837 -0.687 233 H ILE 30 H ILE 30 4.477 10.703 -0.324 234 HA ILE 30 HA ILE 30 1.859 9.735 -1.275 235 HB ILE 30 HB ILE 30 2.952 12.517 -0.831 236 HG12 ILE 30 2HG1 ILE 30 0.835 12.807 0.405 237 HG13 ILE 30 1HG1 ILE 30 0.392 11.151 0.019 238 HG21 ILE 30 1HG2 ILE 30 0.498 11.805 -2.423 239 HG22 ILE 30 2HG2 ILE 30 1.971 12.559 -3.039 240 HG23 ILE 30 3HG2 ILE 30 0.945 13.428 -1.895 241 HD11 ILE 30 1HD1 ILE 30 1.204 11.322 2.272 242 HD12 ILE 30 2HD1 ILE 30 2.717 12.021 1.704 243 HD13 ILE 30 3HD1 ILE 30 2.310 10.354 1.300 244 H TRP 31 H TRP 31 1.374 9.834 -3.517 245 HA TRP 31 HA TRP 31 3.804 10.169 -5.153 246 HB2 TRP 31 2HB TRP 31 3.227 7.872 -5.040 247 HB3 TRP 31 1HB TRP 31 1.537 8.218 -5.402 248 HD1 TRP 31 HD TRP 31 0.906 8.622 -7.929 249 HE1 TRP 31 1HE TRP 31 2.177 8.172 -10.140 250 HE3 TRP 31 3HE TRP 31 5.519 8.089 -5.979 251 HZ2 TRP 31 2HZ TRP 31 4.834 7.646 -10.907 252 HZ3 TRP 31 3HZ TRP 31 7.401 7.625 -7.496 253 HH2 TRP 31 HH TRP 31 7.054 7.417 -9.899 254 H ASP 32 H ASP 32 3.696 11.455 -6.872 255 HA ASP 32 HA ASP 32 1.045 12.430 -7.716 256 HB2 ASP 32 2HB ASP 32 2.851 14.027 -6.630 257 HB3 ASP 32 1HB ASP 32 3.537 13.992 -8.253 258 HA PRO 33 HA PRO 33 2.234 10.078 -11.345 259 HB2 PRO 33 2HB PRO 33 -0.094 10.393 -12.667 260 HB3 PRO 33 1HB PRO 33 0.076 9.301 -11.286 261 HG2 PRO 33 2HG PRO 33 -1.021 12.090 -11.372 262 HG3 PRO 33 1HG PRO 33 -1.679 10.654 -10.563 263 HD2 PRO 33 2HD PRO 33 -0.274 12.541 -9.238 264 HD3 PRO 33 1HD PRO 33 -0.214 10.825 -8.791 265 H SER 34 H SER 34 2.605 13.180 -11.124 266 HA SER 34 HA SER 34 2.212 13.836 -13.953 267 HB2 SER 34 2HB SER 34 3.127 15.689 -11.752 268 HB3 SER 34 1HB SER 34 2.558 16.137 -13.361 269 HG SER 34 HG SER 34 0.835 14.559 -11.897 270 H SER 35 H SER 35 4.778 14.266 -11.510 271 HA SER 35 HA SER 35 6.757 14.216 -13.654 272 HB2 SER 35 2HB SER 35 7.362 14.628 -10.731 273 HB3 SER 35 1HB SER 35 8.252 15.208 -12.137 274 HG SER 35 HG SER 35 6.847 16.811 -12.407 275 H LYS 36 H LYS 36 5.408 12.268 -11.196 276 HA LYS 36 HA LYS 36 5.524 10.060 -10.840 277 HB2 LYS 36 2HB LYS 36 6.479 8.621 -12.291 278 HB3 LYS 36 1HB LYS 36 6.635 10.062 -13.282 279 HG2 LYS 36 2HG LYS 36 8.880 10.245 -12.901 280 HG3 LYS 36 1HG LYS 36 8.804 9.314 -11.407 281 HD2 LYS 36 2HD LYS 36 8.207 8.051 -14.064 282 HD3 LYS 36 1HD LYS 36 9.861 8.193 -13.463 283 HE2 LYS 36 2HE LYS 36 9.025 7.064 -11.342 284 HE3 LYS 36 1HE LYS 36 7.552 6.693 -12.241 285 HZ1 LYS 36 1HZ LYS 36 8.833 5.435 -13.818 286 HZ2 LYS 36 2HZ LYS 36 9.199 4.877 -12.256 287 HZ3 LYS 36 3HZ LYS 36 10.289 5.884 -13.071 288 H MET 37 H MET 37 6.684 12.191 -9.524 289 HA MET 37 HA MET 37 8.846 11.058 -8.023 290 HB2 MET 37 2HB MET 37 7.534 13.797 -7.915 291 HB3 MET 37 1HB MET 37 8.946 13.302 -6.994 292 HG2 MET 37 2HG MET 37 10.302 13.212 -8.912 293 HG3 MET 37 1HG MET 37 8.912 13.284 -9.996 294 HE1 MET 37 1HE MET 37 10.897 16.648 -10.602 295 HE2 MET 37 2HE MET 37 10.261 15.194 -11.369 296 HE3 MET 37 3HE MET 37 11.572 15.072 -10.194 297 H TYR 38 H TYR 38 8.355 11.810 -5.587 298 HA TYR 38 HA TYR 38 5.637 11.391 -4.818 299 HB2 TYR 38 2HB TYR 38 6.120 9.368 -3.454 300 HB3 TYR 38 1HB TYR 38 6.261 9.063 -5.179 301 HD1 TYR 38 1HD TYR 38 8.496 8.740 -6.196 302 HD2 TYR 38 2HD TYR 38 7.979 9.148 -1.998 303 HE1 TYR 38 1HE TYR 38 10.744 7.816 -5.838 304 HE2 TYR 38 2HE TYR 38 10.223 8.233 -1.625 305 HH TYR 38 HH TYR 38 11.804 6.554 -3.149 306 H THR 39 H THR 39 5.401 11.980 -2.577 307 HA THR 39 HA THR 39 7.845 13.239 -1.536 308 HB THR 39 HB THR 39 6.439 14.735 -0.281 309 HG1 THR 39 1HG THR 39 4.582 13.346 -0.076 310 HG21 THR 39 1HG2 THR 39 5.560 16.051 -2.124 311 HG22 THR 39 2HG2 THR 39 5.680 14.643 -3.183 312 HG23 THR 39 3HG2 THR 39 7.141 15.376 -2.514 313 H SER 40 H SER 40 8.771 12.073 -0.105 314 HA SER 40 HA SER 40 7.295 10.103 1.431 315 HB2 SER 40 2HB SER 40 9.457 9.596 0.226 316 HB3 SER 40 1HB SER 40 10.269 10.641 1.390 317 HG SER 40 HG SER 40 9.829 9.214 3.000 318 H ILE 41 H ILE 41 8.053 9.787 3.720 319 HA ILE 41 HA ILE 41 8.764 12.298 5.048 320 HB ILE 41 HB ILE 41 7.133 11.991 6.786 321 HG12 ILE 41 2HG1 ILE 41 5.964 9.606 5.389 322 HG13 ILE 41 1HG1 ILE 41 7.237 9.427 6.591 323 HG21 ILE 41 1HG2 ILE 41 5.777 11.681 4.134 324 HG22 ILE 41 2HG2 ILE 41 6.353 13.191 4.843 325 HG23 ILE 41 3HG2 ILE 41 5.035 12.303 5.609 326 HD11 ILE 41 1HD1 ILE 41 5.052 9.067 7.562 327 HD12 ILE 41 2HD1 ILE 41 4.539 10.671 7.044 328 HD13 ILE 41 3HD1 ILE 41 5.811 10.500 8.254 329 HA PRO 42 HA PRO 42 11.533 9.619 7.221 330 HB2 PRO 42 2HB PRO 42 11.905 11.017 9.497 331 HB3 PRO 42 1HB PRO 42 12.535 11.574 7.942 332 HG2 PRO 42 2HG PRO 42 10.037 12.402 9.373 333 HG3 PRO 42 1HG PRO 42 11.269 13.422 8.602 334 HD2 PRO 42 2HD PRO 42 8.946 12.804 7.381 335 HD3 PRO 42 1HD PRO 42 10.459 13.006 6.478 336 H ASN 43 H ASN 43 11.775 8.577 9.496 337 HA ASN 43 HA ASN 43 9.205 7.407 10.139 338 HB2 ASN 43 2HB ASN 43 11.329 6.060 9.988 339 HB3 ASN 43 1HB ASN 43 11.866 6.853 11.464 340 HD21 ASN 43 1HD2 ASN 43 9.532 4.648 10.083 341 HD22 ASN 43 2HD2 ASN 43 9.051 3.920 11.573 342 H ASP 44 H ASP 44 8.542 9.645 10.749 343 HA ASP 44 HA ASP 44 7.851 11.159 12.283 344 HB2 ASP 44 2HB ASP 44 8.380 8.950 14.274 345 HB3 ASP 44 1HB ASP 44 7.347 10.354 14.524 346 H LYS 45 H LYS 45 9.719 12.417 11.819 347 HA LYS 45 HA LYS 45 12.115 12.244 13.315 348 HB2 LYS 45 2HB LYS 45 12.393 14.666 12.437 349 HB3 LYS 45 1HB LYS 45 12.395 13.330 11.295 350 HG2 LYS 45 2HG LYS 45 11.007 14.769 10.209 351 HG3 LYS 45 1HG LYS 45 9.819 13.877 11.163 352 HD2 LYS 45 2HD LYS 45 9.490 15.634 12.632 353 HD3 LYS 45 1HD LYS 45 11.065 16.355 12.282 354 HE2 LYS 45 2HE LYS 45 10.310 17.140 10.154 355 HE3 LYS 45 1HE LYS 45 8.812 16.221 10.287 356 HZ1 LYS 45 1HZ LYS 45 8.397 17.658 12.351 357 HZ2 LYS 45 2HZ LYS 45 8.193 18.366 10.829 358 HZ3 LYS 45 3HZ LYS 45 9.597 18.682 11.723 359 HA PRO 46 HA PRO 46 10.814 14.477 16.935 360 HB2 PRO 46 2HB PRO 46 13.122 14.373 18.277 361 HB3 PRO 46 1HB PRO 46 12.179 12.905 17.982 362 HG2 PRO 46 2HG PRO 46 14.629 13.896 16.590 363 HG3 PRO 46 1HG PRO 46 14.184 12.240 17.041 364 HD2 PRO 46 2HD PRO 46 13.878 13.349 14.511 365 HD3 PRO 46 1HD PRO 46 13.023 11.917 15.112 366 H GLY 47 H GLY 47 12.879 15.557 14.524 367 HA2 GLY 47 2HA GLY 47 13.416 17.712 13.885 368 HA3 GLY 47 1HA GLY 47 12.630 18.291 15.350 369 H GLY 48 H GLY 48 15.445 16.189 14.732 370 HA2 GLY 48 2HA GLY 48 17.091 18.107 16.229 371 HA3 GLY 48 1HA GLY 48 17.086 16.415 16.705 372 H SER 49 H SER 49 19.354 16.397 16.334 373 HA SER 49 HA SER 49 21.212 15.837 15.161 374 HB2 SER 49 2HB SER 49 19.398 15.317 12.796 375 HB3 SER 49 1HB SER 49 20.976 14.602 13.120 376 HG SER 49 HG SER 49 19.169 14.251 15.154 377 H SER 50 H SER 50 22.216 16.295 12.720 378 HA SER 50 HA SER 50 22.388 19.162 12.637 379 HB2 SER 50 2HB SER 50 23.563 17.294 10.582 380 HB3 SER 50 1HB SER 50 24.179 18.857 11.120 381 HG SER 50 HG SER 50 24.140 17.459 13.286 382 H GLN 51 H GLN 51 21.458 16.694 10.238 383 HA GLN 51 HA GLN 51 19.536 18.604 9.113 384 HB2 GLN 51 2HB GLN 51 21.601 17.019 7.593 385 HB3 GLN 51 1HB GLN 51 20.161 17.679 6.830 386 HG2 GLN 51 2HG GLN 51 20.857 19.931 7.533 387 HG3 GLN 51 1HG GLN 51 22.331 19.244 8.210 388 HE21 GLN 51 1HE2 GLN 51 23.906 18.418 6.812 389 HE22 GLN 51 2HE2 GLN 51 23.938 18.835 5.130 390 H ALA 52 H ALA 52 18.030 17.351 10.331 391 HA ALA 52 HA ALA 52 17.534 14.646 9.298 392 HB1 ALA 52 1HB ALA 52 16.322 15.998 11.714 393 HB2 ALA 52 2HB ALA 52 17.673 14.867 11.754 394 HB3 ALA 52 3HB ALA 52 16.084 14.321 11.223 395 H THR 53 H THR 53 16.074 14.449 7.759 396 HA THR 53 HA THR 53 14.228 14.738 6.468 397 HB THR 53 HB THR 53 13.213 16.698 8.537 398 HG1 THR 53 1HG THR 53 13.733 14.097 8.852 399 HG21 THR 53 1HG2 THR 53 11.765 14.942 6.551 400 HG22 THR 53 2HG2 THR 53 11.976 16.687 6.432 401 HG23 THR 53 3HG2 THR 53 11.006 16.009 7.737 402 H LYS 54 H LYS 54 14.399 17.955 7.935 403 HA LYS 54 HA LYS 54 14.808 20.021 7.135 404 HB2 LYS 54 2HB LYS 54 16.893 18.476 6.226 405 HB3 LYS 54 1HB LYS 54 16.325 19.260 4.760 406 HG2 LYS 54 2HG LYS 54 16.440 21.222 6.802 407 HG3 LYS 54 1HG LYS 54 17.957 20.321 6.821 408 HD2 LYS 54 2HD LYS 54 16.706 21.624 4.400 409 HD3 LYS 54 1HD LYS 54 18.068 22.263 5.322 410 HE2 LYS 54 2HE LYS 54 19.442 20.399 4.695 411 HE3 LYS 54 1HE LYS 54 18.070 19.577 3.951 412 HZ1 LYS 54 1HZ LYS 54 19.503 21.985 2.999 413 HZ2 LYS 54 2HZ LYS 54 17.950 21.594 2.436 414 HZ3 LYS 54 3HZ LYS 54 19.240 20.515 2.188 415 H GLU 55 H GLU 55 14.627 18.148 4.079 416 HA GLU 55 HA GLU 55 12.195 19.564 3.368 417 HB2 GLU 55 2HB GLU 55 13.251 20.280 1.157 418 HB3 GLU 55 1HB GLU 55 13.728 21.191 2.584 419 HG2 GLU 55 2HG GLU 55 15.748 19.672 2.713 420 HG3 GLU 55 1HG GLU 55 15.309 19.110 1.104 421 H ILE 56 H ILE 56 10.894 18.001 2.664 422 HA ILE 56 HA ILE 56 12.030 15.787 1.057 423 HB ILE 56 HB ILE 56 9.243 15.795 2.157 424 HG12 ILE 56 2HG1 ILE 56 10.834 16.092 4.060 425 HG13 ILE 56 1HG1 ILE 56 10.003 14.541 4.093 426 HG21 ILE 56 1HG2 ILE 56 9.774 14.257 0.373 427 HG22 ILE 56 2HG2 ILE 56 9.547 13.370 1.879 428 HG23 ILE 56 3HG2 ILE 56 11.173 13.665 1.267 429 HD11 ILE 56 1HD1 ILE 56 12.827 15.033 3.169 430 HD12 ILE 56 2HD1 ILE 56 12.001 13.474 3.157 431 HD13 ILE 56 3HD1 ILE 56 12.330 14.285 4.688 432 H LYS 57 H LYS 57 12.149 16.834 -0.841 433 HA LYS 57 HA LYS 57 9.773 18.075 -1.966 434 HB2 LYS 57 2HB LYS 57 11.267 18.656 -3.848 435 HB3 LYS 57 1HB LYS 57 11.953 19.171 -2.309 436 HG2 LYS 57 2HG LYS 57 13.204 16.912 -2.380 437 HG3 LYS 57 1HG LYS 57 12.806 16.935 -4.099 438 HD2 LYS 57 2HD LYS 57 14.979 17.897 -3.820 439 HD3 LYS 57 1HD LYS 57 13.855 19.192 -4.232 440 HE2 LYS 57 2HE LYS 57 13.649 19.668 -1.781 441 HE3 LYS 57 1HE LYS 57 14.960 18.523 -1.511 442 HZ1 LYS 57 1HZ LYS 57 15.094 21.027 -3.096 443 HZ2 LYS 57 2HZ LYS 57 16.354 19.903 -2.977 444 HZ3 LYS 57 3HZ LYS 57 15.833 20.739 -1.590 445 HA PRO 58 HA PRO 58 8.374 14.533 -4.170 446 HB2 PRO 58 2HB PRO 58 8.226 15.552 -6.768 447 HB3 PRO 58 1HB PRO 58 6.938 15.602 -5.561 448 HG2 PRO 58 2HG PRO 58 8.870 17.721 -6.366 449 HG3 PRO 58 1HG PRO 58 7.186 17.874 -5.830 450 HD2 PRO 58 2HD PRO 58 9.259 18.486 -4.226 451 HD3 PRO 58 1HD PRO 58 7.757 17.778 -3.592 452 H GLN 59 H GLN 59 9.917 13.042 -4.215 453 HA GLN 59 HA GLN 59 12.227 13.377 -5.989 454 HB2 GLN 59 2HB GLN 59 11.675 11.523 -3.675 455 HB3 GLN 59 1HB GLN 59 13.075 11.333 -4.725 456 HG2 GLN 59 2HG GLN 59 14.103 13.215 -3.928 457 HG3 GLN 59 1HG GLN 59 12.585 13.989 -3.478 458 HE21 GLN 59 1HE2 GLN 59 13.415 10.711 -2.625 459 HE22 GLN 59 2HE2 GLN 59 13.604 10.992 -0.932 460 H LYS 60 H LYS 60 12.697 11.925 -7.588 461 HA LYS 60 HA LYS 60 10.508 10.626 -8.830 462 HB2 LYS 60 2HB LYS 60 12.677 11.861 -9.802 463 HB3 LYS 60 1HB LYS 60 13.312 10.221 -9.759 464 HG2 LYS 60 2HG LYS 60 12.405 9.973 -11.774 465 HG3 LYS 60 1HG LYS 60 10.845 9.914 -10.946 466 HD2 LYS 60 2HD LYS 60 10.401 12.167 -11.374 467 HD3 LYS 60 1HD LYS 60 12.088 12.526 -11.728 468 HE2 LYS 60 2HE LYS 60 10.314 10.777 -13.426 469 HE3 LYS 60 1HE LYS 60 10.634 12.482 -13.737 470 HZ1 LYS 60 1HZ LYS 60 13.056 11.834 -13.776 471 HZ2 LYS 60 2HZ LYS 60 12.116 11.308 -15.085 472 HZ3 LYS 60 3HZ LYS 60 12.538 10.218 -13.852 473 H LEU 61 H LEU 61 10.164 8.478 -9.032 474 HA LEU 61 HA LEU 61 11.021 6.739 -7.043 475 HB2 LEU 61 2HB LEU 61 9.740 6.379 -9.693 476 HB3 LEU 61 1HB LEU 61 10.382 4.965 -8.893 477 HG LEU 61 HG LEU 61 8.224 6.805 -7.902 478 HD11 LEU 61 1HD1 LEU 61 6.890 4.743 -7.985 479 HD12 LEU 61 2HD1 LEU 61 8.271 3.893 -8.683 480 HD13 LEU 61 3HD1 LEU 61 7.510 5.218 -9.566 481 HD21 LEU 61 1HD2 LEU 61 9.566 4.512 -6.477 482 HD22 LEU 61 2HD2 LEU 61 8.099 5.331 -5.937 483 HD23 LEU 61 3HD2 LEU 61 9.624 6.213 -6.025 484 H GLY 62 H GLY 62 12.774 5.621 -6.717 485 HA2 GLY 62 2HA GLY 62 15.012 5.630 -8.423 486 HA3 GLY 62 1HA GLY 62 14.790 4.557 -7.051 487 H GLU 63 H GLU 63 15.051 2.468 -7.667 488 HA GLU 63 HA GLU 63 13.719 1.652 -10.167 489 HB2 GLU 63 2HB GLU 63 16.374 0.524 -9.304 490 HB3 GLU 63 1HB GLU 63 15.569 0.341 -10.857 491 HG2 GLU 63 2HG GLU 63 15.796 2.992 -10.825 492 HG3 GLU 63 1HG GLU 63 17.172 2.587 -9.804 493 H ASP 64 H ASP 64 13.629 1.305 -6.972 494 HA ASP 64 HA ASP 64 12.890 -1.555 -7.155 495 HB2 ASP 64 2HB ASP 64 14.913 -1.284 -5.782 496 HB3 ASP 64 1HB ASP 64 14.072 -0.126 -4.758 497 H GLU 65 H GLU 65 11.869 1.572 -6.537 498 HA GLU 65 HA GLU 65 9.712 0.781 -4.744 499 HB2 GLU 65 2HB GLU 65 10.862 3.358 -5.685 500 HB3 GLU 65 1HB GLU 65 9.317 3.315 -4.826 501 HG2 GLU 65 2HG GLU 65 10.600 1.986 -3.036 502 HG3 GLU 65 1HG GLU 65 12.051 2.591 -3.832 503 H SER 66 H SER 66 10.096 0.340 -7.739 504 HA SER 66 HA SER 66 8.417 1.601 -9.414 505 HB2 SER 66 2HB SER 66 8.349 -1.393 -9.379 506 HB3 SER 66 1HB SER 66 8.508 -0.290 -10.750 507 HG SER 66 HG SER 66 10.457 -1.511 -9.921 508 H ILE 67 H ILE 67 6.377 2.081 -9.505 509 HA ILE 67 HA ILE 67 4.475 0.871 -7.651 510 HB ILE 67 HB ILE 67 4.303 3.332 -9.381 511 HG12 ILE 67 2HG1 ILE 67 4.683 3.008 -6.414 512 HG13 ILE 67 1HG1 ILE 67 5.938 3.460 -7.567 513 HG21 ILE 67 1HG2 ILE 67 2.083 2.382 -8.972 514 HG22 ILE 67 2HG2 ILE 67 2.305 3.916 -8.130 515 HG23 ILE 67 3HG2 ILE 67 2.404 2.398 -7.240 516 HD11 ILE 67 1HD1 ILE 67 4.680 5.467 -8.124 517 HD12 ILE 67 2HD1 ILE 67 5.102 5.393 -6.414 518 HD13 ILE 67 3HD1 ILE 67 3.460 5.018 -6.935 519 HA PRO 68 HA PRO 68 2.280 -1.494 -10.791 520 HB2 PRO 68 2HB PRO 68 -0.096 -0.470 -9.300 521 HB3 PRO 68 1HB PRO 68 0.294 -2.125 -9.790 522 HG2 PRO 68 2HG PRO 68 0.600 -1.344 -7.254 523 HG3 PRO 68 1HG PRO 68 1.761 -2.448 -8.018 524 HD2 PRO 68 2HD PRO 68 2.037 0.444 -7.365 525 HD3 PRO 68 1HD PRO 68 3.269 -0.833 -7.400 526 H GLU 69 H GLU 69 1.919 -0.705 -12.801 527 HA GLU 69 HA GLU 69 1.581 2.016 -13.350 528 HB2 GLU 69 2HB GLU 69 1.072 -0.361 -15.130 529 HB3 GLU 69 1HB GLU 69 1.182 1.307 -15.681 530 HG2 GLU 69 2HG GLU 69 3.493 1.352 -14.655 531 HG3 GLU 69 1HG GLU 69 3.342 -0.397 -14.481 532 H GLU 70 H GLU 70 -0.741 -0.293 -12.462 533 HA GLU 70 HA GLU 70 -2.985 0.889 -13.767 534 HB2 GLU 70 2HB GLU 70 -4.297 -0.506 -12.100 535 HB3 GLU 70 1HB GLU 70 -3.214 -1.392 -13.163 536 HG2 GLU 70 2HG GLU 70 -1.805 -1.978 -11.471 537 HG3 GLU 70 1HG GLU 70 -2.174 -0.541 -10.516 538 H ILE 71 H ILE 71 -1.176 1.653 -10.950 539 HA ILE 71 HA ILE 71 -3.280 3.543 -10.121 540 HB ILE 71 HB ILE 71 -2.683 3.308 -7.834 541 HG12 ILE 71 2HG1 ILE 71 -0.450 1.430 -8.643 542 HG13 ILE 71 1HG1 ILE 71 -0.211 3.129 -8.247 543 HG21 ILE 71 1HG2 ILE 71 -4.142 1.550 -8.629 544 HG22 ILE 71 2HG2 ILE 71 -3.045 0.903 -7.410 545 HG23 ILE 71 3HG2 ILE 71 -2.753 0.577 -9.116 546 HD11 ILE 71 1HD1 ILE 71 -1.036 2.722 -5.985 547 HD12 ILE 71 2HD1 ILE 71 0.350 1.703 -6.370 548 HD13 ILE 71 3HD1 ILE 71 -1.273 1.019 -6.379 549 H ILE 72 H ILE 72 -0.024 3.110 -11.067 550 HA ILE 72 HA ILE 72 1.350 5.211 -9.890 551 HB ILE 72 HB ILE 72 2.126 3.342 -11.420 552 HG12 ILE 72 2HG1 ILE 72 3.354 5.582 -10.490 553 HG13 ILE 72 1HG1 ILE 72 4.174 4.260 -11.310 554 HG21 ILE 72 1HG2 ILE 72 1.586 5.432 -13.512 555 HG22 ILE 72 2HG2 ILE 72 0.869 3.823 -13.399 556 HG23 ILE 72 3HG2 ILE 72 2.586 3.999 -13.758 557 HD11 ILE 72 1HD1 ILE 72 3.168 6.780 -12.628 558 HD12 ILE 72 2HD1 ILE 72 4.038 5.465 -13.421 559 HD13 ILE 72 3HD1 ILE 72 4.842 6.437 -12.190 560 H ASN 73 H ASN 73 -1.011 5.362 -12.428 561 HA ASN 73 HA ASN 73 -0.298 8.163 -12.891 562 HB2 ASN 73 2HB ASN 73 -0.921 6.126 -14.681 563 HB3 ASN 73 1HB ASN 73 -2.375 7.118 -14.624 564 HD21 ASN 73 1HD2 ASN 73 1.035 7.077 -15.345 565 HD22 ASN 73 2HD2 ASN 73 1.055 8.531 -16.279 566 H GLY 74 H GLY 74 -1.866 6.841 -10.633 567 HA2 GLY 74 2HA GLY 74 -4.142 8.742 -10.846 568 HA3 GLY 74 1HA GLY 74 -4.425 7.090 -10.329 569 H LYS 75 H LYS 75 -1.739 9.227 -9.424 570 HA LYS 75 HA LYS 75 -0.921 9.871 -7.400 571 HB2 LYS 75 2HB LYS 75 -3.021 11.249 -7.565 572 HB3 LYS 75 1HB LYS 75 -3.791 10.075 -6.508 573 HG2 LYS 75 2HG LYS 75 -3.069 11.326 -4.819 574 HG3 LYS 75 1HG LYS 75 -1.448 10.731 -5.193 575 HD2 LYS 75 2HD LYS 75 -1.253 12.639 -6.832 576 HD3 LYS 75 1HD LYS 75 -2.753 13.271 -6.152 577 HE2 LYS 75 2HE LYS 75 -1.639 13.243 -3.908 578 HE3 LYS 75 1HE LYS 75 -0.134 12.835 -4.730 579 HZ1 LYS 75 1HZ LYS 75 -0.339 14.911 -6.002 580 HZ2 LYS 75 2HZ LYS 75 -0.249 15.192 -4.327 581 HZ3 LYS 75 3HZ LYS 75 -1.741 15.300 -5.122 582 H CYS 76 H CYS 76 0.142 8.386 -6.334 583 HA CYS 76 HA CYS 76 -1.408 6.230 -5.056 584 HB2 CYS 76 2HB CYS 76 1.565 6.159 -5.471 585 HB3 CYS 76 1HB CYS 76 0.456 4.817 -5.217 586 HG CYS 76 HG CYS 76 -0.767 5.797 -7.860 587 H PHE 77 H PHE 77 -0.303 5.349 -3.082 588 HA PHE 77 HA PHE 77 0.998 7.373 -1.451 589 HB2 PHE 77 2HB PHE 77 -1.586 5.976 -0.738 590 HB3 PHE 77 1HB PHE 77 -0.589 6.845 0.426 591 HD1 PHE 77 1HD PHE 77 -3.305 7.112 -1.753 592 HD2 PHE 77 2HD PHE 77 0.038 9.284 -0.295 593 HE1 PHE 77 1HE PHE 77 -4.399 9.217 -2.386 594 HE2 PHE 77 2HE PHE 77 -1.049 11.399 -0.913 595 HZ PHE 77 HZ PHE 77 -3.268 11.361 -1.990 596 H PHE 78 H PHE 78 2.757 6.455 -0.693 597 HA PHE 78 HA PHE 78 2.919 3.563 -0.527 598 HB2 PHE 78 2HB PHE 78 4.858 4.996 -1.314 599 HB3 PHE 78 1HB PHE 78 5.003 5.587 0.337 600 HD1 PHE 78 1HD PHE 78 6.171 4.370 1.959 601 HD2 PHE 78 2HD PHE 78 5.164 2.530 -1.745 602 HE1 PHE 78 1HE PHE 78 7.608 2.455 2.520 603 HE2 PHE 78 2HE PHE 78 6.594 0.611 -1.185 604 HZ PHE 78 HZ PHE 78 7.821 0.571 0.949 605 H ILE 79 H ILE 79 1.676 2.876 1.058 606 HA ILE 79 HA ILE 79 1.842 4.173 3.692 607 HB ILE 79 HB ILE 79 -0.185 3.117 4.276 608 HG12 ILE 79 2HG1 ILE 79 0.362 1.445 1.851 609 HG13 ILE 79 1HG1 ILE 79 -0.010 0.937 3.496 610 HG21 ILE 79 1HG2 ILE 79 -0.443 5.093 2.872 611 HG22 ILE 79 2HG2 ILE 79 -1.746 3.938 2.594 612 HG23 ILE 79 3HG2 ILE 79 -0.433 4.076 1.426 613 HD11 ILE 79 1HD1 ILE 79 -1.855 0.464 2.034 614 HD12 ILE 79 2HD1 ILE 79 -1.923 2.150 1.527 615 HD13 ILE 79 3HD1 ILE 79 -2.312 1.712 3.191 616 H HIS 80 H HIS 80 1.520 2.764 5.439 617 HA HIS 80 HA HIS 80 2.897 0.206 5.212 618 HB2 HIS 80 2HB HIS 80 4.584 1.541 6.084 619 HB3 HIS 80 1HB HIS 80 3.453 2.609 6.899 620 HD1 HIS 80 1HD HIS 80 5.405 -0.531 7.345 621 HD2 HIS 80 2HD HIS 80 2.692 1.822 9.422 622 HE1 HIS 80 1HE HIS 80 5.530 -1.316 9.748 623 HE2 HIS 80 2HE HIS 80 3.985 0.220 11.017 624 H TYR 81 H TYR 81 1.152 -1.040 5.431 625 HA TYR 81 HA TYR 81 -1.265 -0.529 6.575 626 HB2 TYR 81 2HB TYR 81 0.256 -3.085 6.193 627 HB3 TYR 81 1HB TYR 81 -1.309 -3.100 7.005 628 HD1 TYR 81 1HD TYR 81 -3.161 -1.642 5.688 629 HD2 TYR 81 2HD TYR 81 0.234 -3.504 3.924 630 HE1 TYR 81 1HE TYR 81 -4.303 -1.634 3.509 631 HE2 TYR 81 2HE TYR 81 -0.896 -3.504 1.739 632 HH TYR 81 HH TYR 81 -3.279 -3.458 0.897 633 H GLN 82 H GLN 82 -1.892 0.001 8.500 634 HA GLN 82 HA GLN 82 -0.277 -0.029 10.799 635 HB2 GLN 82 2HB GLN 82 -3.240 0.318 10.390 636 HB3 GLN 82 1HB GLN 82 -2.518 0.361 11.993 637 HG2 GLN 82 2HG GLN 82 -1.137 2.241 11.351 638 HG3 GLN 82 1HG GLN 82 -1.775 2.175 9.708 639 HE21 GLN 82 1HE2 GLN 82 -3.734 1.619 12.526 640 HE22 GLN 82 2HE2 GLN 82 -4.668 3.063 12.406 641 H GLY 83 H GLY 83 -0.238 -1.332 12.594 642 HA2 GLY 83 2HA GLY 83 -0.810 -3.204 13.909 643 HA3 GLY 83 1HA GLY 83 -1.818 -3.794 12.589 644 H TRP 84 H TRP 84 0.101 -3.491 10.543 645 HA TRP 84 HA TRP 84 1.743 -5.843 11.071 646 HB2 TRP 84 2HB TRP 84 1.212 -4.346 8.491 647 HB3 TRP 84 1HB TRP 84 2.071 -5.877 8.633 648 HD1 TRP 84 HD TRP 84 -1.368 -4.435 8.284 649 HE1 TRP 84 1HE TRP 84 -3.112 -6.326 8.278 650 HE3 TRP 84 3HE TRP 84 1.626 -8.317 9.765 651 HZ2 TRP 84 2HZ TRP 84 -3.212 -9.086 8.828 652 HZ3 TRP 84 3HZ TRP 84 0.619 -10.551 10.003 653 HH2 TRP 84 HH TRP 84 -1.749 -10.924 9.544 654 H LYS 85 H LYS 85 3.907 -5.616 9.574 655 HA LYS 85 HA LYS 85 5.224 -3.218 10.639 656 HB2 LYS 85 2HB LYS 85 7.295 -4.438 10.708 657 HB3 LYS 85 1HB LYS 85 6.059 -5.357 11.554 658 HG2 LYS 85 2HG LYS 85 5.915 -6.945 9.828 659 HG3 LYS 85 1HG LYS 85 6.804 -5.915 8.701 660 HD2 LYS 85 2HD LYS 85 8.310 -7.614 9.464 661 HD3 LYS 85 1HD LYS 85 8.781 -6.097 10.233 662 HE2 LYS 85 2HE LYS 85 7.351 -6.828 12.204 663 HE3 LYS 85 1HE LYS 85 7.301 -8.418 11.448 664 HZ1 LYS 85 1HZ LYS 85 9.672 -6.969 12.479 665 HZ2 LYS 85 2HZ LYS 85 9.803 -8.316 11.461 666 HZ3 LYS 85 3HZ LYS 85 9.061 -8.474 12.979 667 H SER 86 H SER 86 7.569 -3.299 9.172 668 HA SER 86 HA SER 86 6.859 -1.826 6.915 669 HB2 SER 86 2HB SER 86 9.492 -2.783 6.559 670 HB3 SER 86 1HB SER 86 8.985 -1.238 7.246 671 HG SER 86 HG SER 86 9.879 -1.995 9.002 672 H SER 87 H SER 87 6.882 -5.207 7.252 673 HA SER 87 HA SER 87 7.665 -5.920 4.605 674 HB2 SER 87 2HB SER 87 5.897 -7.556 6.423 675 HB3 SER 87 1HB SER 87 7.020 -8.126 5.189 676 HG SER 87 HG SER 87 7.660 -8.174 7.550 677 H TRP 88 H TRP 88 4.996 -4.303 5.743 678 HA TRP 88 HA TRP 88 3.335 -5.228 3.495 679 HB2 TRP 88 2HB TRP 88 2.503 -4.220 6.220 680 HB3 TRP 88 1HB TRP 88 1.383 -4.391 4.870 681 HD1 TRP 88 HD TRP 88 3.925 -6.690 6.702 682 HE1 TRP 88 1HE TRP 88 2.888 -9.037 6.891 683 HE3 TRP 88 3HE TRP 88 -0.482 -5.802 4.270 684 HZ2 TRP 88 2HZ TRP 88 0.489 -10.331 6.120 685 HZ3 TRP 88 3HZ TRP 88 -2.096 -7.650 4.046 686 HH2 TRP 88 HH TRP 88 -1.616 -9.864 4.952 687 H ASP 89 H ASP 89 5.433 -3.127 3.692 688 HA ASP 89 HA ASP 89 3.987 -0.642 3.378 689 HB2 ASP 89 2HB ASP 89 6.880 -1.446 3.249 690 HB3 ASP 89 1HB ASP 89 6.373 0.115 2.618 691 H GLU 90 H GLU 90 2.898 -0.296 1.531 692 HA GLU 90 HA GLU 90 4.245 -0.788 -0.996 693 HB2 GLU 90 2HB GLU 90 2.800 -2.850 -0.256 694 HB3 GLU 90 1HB GLU 90 1.452 -1.861 -0.801 695 HG2 GLU 90 2HG GLU 90 2.234 -1.816 -3.014 696 HG3 GLU 90 1HG GLU 90 3.834 -2.387 -2.548 697 H TRP 91 H TRP 91 2.349 -0.230 -2.797 698 HA TRP 91 HA TRP 91 1.627 2.528 -2.089 699 HB2 TRP 91 2HB TRP 91 2.070 1.193 -4.758 700 HB3 TRP 91 1HB TRP 91 1.473 2.836 -4.574 701 HD1 TRP 91 HD TRP 91 4.629 0.762 -4.460 702 HE1 TRP 91 1HE TRP 91 6.650 2.347 -4.369 703 HE3 TRP 91 3HE TRP 91 2.175 5.158 -3.601 704 HZ2 TRP 91 2HZ TRP 91 7.129 5.098 -3.993 705 HZ3 TRP 91 3HZ TRP 91 3.497 7.224 -3.385 706 HH2 TRP 91 HH TRP 91 5.927 7.187 -3.570 707 H VAL 92 H VAL 92 -0.396 3.200 -2.088 708 HA VAL 92 HA VAL 92 -2.454 1.594 -3.444 709 HB VAL 92 HB VAL 92 -4.071 2.276 -1.668 710 HG11 VAL 92 1HG1 VAL 92 -3.353 0.618 -0.018 711 HG12 VAL 92 2HG1 VAL 92 -1.736 0.614 -0.721 712 HG13 VAL 92 3HG1 VAL 92 -3.110 0.041 -1.666 713 HG21 VAL 92 1HG2 VAL 92 -3.241 3.060 0.477 714 HG22 VAL 92 2HG2 VAL 92 -2.828 4.200 -0.803 715 HG23 VAL 92 3HG2 VAL 92 -1.596 3.113 -0.158 716 H GLY 93 H GLY 93 -3.997 2.821 -4.568 717 HA2 GLY 93 2HA GLY 93 -3.316 5.695 -4.711 718 HA3 GLY 93 1HA GLY 93 -3.945 4.767 -6.068 719 H TYR 94 H TYR 94 -5.252 7.023 -5.630 720 HA TYR 94 HA TYR 94 -7.313 7.064 -3.721 721 HB2 TYR 94 2HB TYR 94 -7.081 8.274 -6.468 722 HB3 TYR 94 1HB TYR 94 -8.532 8.480 -5.497 723 HD1 TYR 94 1HD TYR 94 -7.474 8.882 -2.821 724 HD2 TYR 94 2HD TYR 94 -6.050 10.332 -6.551 725 HE1 TYR 94 1HE TYR 94 -6.457 10.795 -1.677 726 HE2 TYR 94 2HE TYR 94 -5.020 12.249 -5.422 727 HH TYR 94 HH TYR 94 -4.696 12.427 -2.022 728 H ASP 95 H ASP 95 -6.804 4.996 -6.193 729 HA ASP 95 HA ASP 95 -9.521 4.449 -6.993 730 HB2 ASP 95 2HB ASP 95 -7.675 4.150 -8.575 731 HB3 ASP 95 1HB ASP 95 -6.945 2.948 -7.518 732 H ARG 96 H ARG 96 -7.304 3.409 -4.553 733 HA ARG 96 HA ARG 96 -9.317 1.487 -3.619 734 HB2 ARG 96 2HB ARG 96 -6.512 0.882 -4.392 735 HB3 ARG 96 1HB ARG 96 -7.124 0.110 -2.935 736 HG2 ARG 96 2HG ARG 96 -8.617 -1.178 -4.075 737 HG3 ARG 96 1HG ARG 96 -8.799 -0.008 -5.383 738 HD2 ARG 96 2HD ARG 96 -6.117 -1.179 -5.118 739 HD3 ARG 96 1HD ARG 96 -7.389 -2.318 -5.559 740 HE ARG 96 HE ARG 96 -7.732 -0.132 -7.205 741 HH11 ARG 96 1HH1 ARG 96 -5.167 -2.441 -6.582 742 HH12 ARG 96 2HH1 ARG 96 -4.553 -2.386 -8.207 743 HH21 ARG 96 1HH2 ARG 96 -6.950 -0.069 -9.311 744 HH22 ARG 96 2HH2 ARG 96 -5.588 -1.056 -9.772 745 H ILE 97 H ILE 97 -8.087 4.212 -2.900 746 HA ILE 97 HA ILE 97 -7.541 3.500 -0.104 747 HB ILE 97 HB ILE 97 -5.594 4.531 -1.474 748 HG12 ILE 97 2HG1 ILE 97 -6.512 5.607 1.176 749 HG13 ILE 97 1HG1 ILE 97 -5.458 4.230 0.884 750 HG21 ILE 97 1HG2 ILE 97 -5.528 6.963 -1.481 751 HG22 ILE 97 2HG2 ILE 97 -7.195 7.001 -0.901 752 HG23 ILE 97 3HG2 ILE 97 -6.829 6.335 -2.493 753 HD11 ILE 97 1HD1 ILE 97 -4.190 6.128 1.681 754 HD12 ILE 97 2HD1 ILE 97 -4.803 7.116 0.354 755 HD13 ILE 97 3HD1 ILE 97 -3.743 5.748 0.018 756 H ARG 98 H ARG 98 -8.552 4.620 1.450 757 HA ARG 98 HA ARG 98 -10.507 6.665 0.670 758 HB2 ARG 98 2HB ARG 98 -11.090 4.517 2.710 759 HB3 ARG 98 1HB ARG 98 -12.218 5.651 1.987 760 HG2 ARG 98 2HG ARG 98 -10.822 3.718 0.210 761 HG3 ARG 98 1HG ARG 98 -12.124 3.130 1.242 762 HD2 ARG 98 2HD ARG 98 -13.248 3.686 -0.699 763 HD3 ARG 98 1HD ARG 98 -13.459 5.131 0.286 764 HE ARG 98 HE ARG 98 -11.173 5.533 -1.234 765 HH11 ARG 98 1HH1 ARG 98 -14.606 5.029 -1.811 766 HH12 ARG 98 2HH1 ARG 98 -14.598 5.909 -3.310 767 HH21 ARG 98 1HH2 ARG 98 -11.200 6.699 -3.218 768 HH22 ARG 98 2HH2 ARG 98 -12.695 6.876 -4.091 769 H ALA 99 H ALA 99 -11.457 7.344 3.146 770 HA ALA 99 HA ALA 99 -9.029 8.280 4.454 771 HB1 ALA 99 1HB ALA 99 -11.830 9.407 4.500 772 HB2 ALA 99 2HB ALA 99 -10.446 10.086 3.642 773 HB3 ALA 99 3HB ALA 99 -10.463 10.048 5.405 774 H TYR 100 H TYR 100 -8.662 7.641 6.428 775 HA TYR 100 HA TYR 100 -10.322 5.626 7.601 776 HB2 TYR 100 2HB TYR 100 -7.922 5.481 7.663 777 HB3 TYR 100 1HB TYR 100 -7.810 7.061 8.405 778 HD1 TYR 100 1HD TYR 100 -8.520 3.519 8.903 779 HD2 TYR 100 2HD TYR 100 -8.200 7.293 10.841 780 HE1 TYR 100 1HE TYR 100 -8.436 2.388 11.081 781 HE2 TYR 100 2HE TYR 100 -8.114 6.170 13.027 782 HH TYR 100 HH TYR 100 -7.488 2.939 13.399 783 H ASN 101 H ASN 101 -12.247 6.493 8.219 784 HA ASN 101 HA ASN 101 -12.243 8.169 10.558 785 HB2 ASN 101 2HB ASN 101 -13.844 9.826 9.570 786 HB3 ASN 101 1HB ASN 101 -12.212 9.927 8.930 787 HD21 ASN 101 1HD2 ASN 101 -12.406 10.603 6.925 788 HD22 ASN 101 2HD2 ASN 101 -13.444 9.910 5.725 789 H GLU 102 H GLU 102 -14.717 8.709 11.010 790 HA GLU 102 HA GLU 102 -15.879 6.277 11.728 791 HB2 GLU 102 2HB GLU 102 -17.135 9.012 11.527 792 HB3 GLU 102 1HB GLU 102 -17.858 7.637 12.351 793 HG2 GLU 102 2HG GLU 102 -15.230 8.913 13.067 794 HG3 GLU 102 1HG GLU 102 -16.766 9.199 13.886 795 H GLU 103 H GLU 103 -16.151 7.911 8.687 796 HA GLU 103 HA GLU 103 -18.711 6.702 8.078 797 HB2 GLU 103 2HB GLU 103 -18.253 8.900 7.173 798 HB3 GLU 103 1HB GLU 103 -16.820 8.298 6.353 799 HG2 GLU 103 2HG GLU 103 -18.897 6.650 5.493 800 HG3 GLU 103 1HG GLU 103 -19.569 8.278 5.498 801 H ASN 104 H ASN 104 -15.367 6.319 6.912 802 HA ASN 104 HA ASN 104 -16.190 4.170 5.161 803 HB2 ASN 104 2HB ASN 104 -14.044 5.978 5.222 804 HB3 ASN 104 1HB ASN 104 -13.338 4.377 5.443 805 HD21 ASN 104 1HD2 ASN 104 -15.460 6.286 3.399 806 HD22 ASN 104 2HD2 ASN 104 -15.186 5.365 1.958 807 H ILE 105 H ILE 105 -14.649 4.555 8.252 808 HA ILE 105 HA ILE 105 -13.667 1.904 8.498 809 HB ILE 105 HB ILE 105 -14.410 3.943 10.540 810 HG12 ILE 105 2HG1 ILE 105 -11.751 3.018 9.465 811 HG13 ILE 105 1HG1 ILE 105 -12.534 4.551 9.088 812 HG21 ILE 105 1HG2 ILE 105 -13.141 2.579 12.151 813 HG22 ILE 105 2HG2 ILE 105 -13.011 1.314 10.929 814 HG23 ILE 105 3HG2 ILE 105 -14.593 1.767 11.563 815 HD11 ILE 105 1HD1 ILE 105 -11.599 3.680 11.797 816 HD12 ILE 105 2HD1 ILE 105 -12.363 5.216 11.398 817 HD13 ILE 105 3HD1 ILE 105 -10.782 4.816 10.728 818 H ALA 106 H ALA 106 -16.671 3.542 9.189 819 HA ALA 106 HA ALA 106 -17.979 1.611 10.691 820 HB1 ALA 106 1HB ALA 106 -19.135 3.505 8.654 821 HB2 ALA 106 2HB ALA 106 -18.874 3.844 10.363 822 HB3 ALA 106 3HB ALA 106 -20.058 2.630 9.878 823 H MET 107 H MET 107 -17.399 1.889 7.256 824 HA MET 107 HA MET 107 -19.078 -0.340 6.569 825 HB2 MET 107 2HB MET 107 -18.046 1.623 5.027 826 HB3 MET 107 1HB MET 107 -16.825 0.380 4.772 827 HG2 MET 107 2HG MET 107 -18.621 -1.179 4.101 828 HG3 MET 107 1HG MET 107 -19.774 0.147 4.227 829 HE1 MET 107 1HE MET 107 -17.699 2.475 3.244 830 HE2 MET 107 2HE MET 107 -19.394 2.486 2.757 831 HE3 MET 107 3HE MET 107 -18.125 2.621 1.539 832 H LYS 108 H LYS 108 -15.591 0.230 6.969 833 HA LYS 108 HA LYS 108 -14.553 -2.217 6.347 834 HB2 LYS 108 2HB LYS 108 -13.324 -0.115 7.026 835 HB3 LYS 108 1HB LYS 108 -13.641 -0.555 8.697 836 HG2 LYS 108 2HG LYS 108 -12.471 -2.743 7.208 837 HG3 LYS 108 1HG LYS 108 -11.459 -1.298 7.172 838 HD2 LYS 108 2HD LYS 108 -12.484 -1.715 9.821 839 HD3 LYS 108 1HD LYS 108 -11.711 -3.190 9.235 840 HE2 LYS 108 2HE LYS 108 -9.723 -1.793 8.605 841 HE3 LYS 108 1HE LYS 108 -10.494 -0.434 9.423 842 HZ1 LYS 108 1HZ LYS 108 -9.120 -1.315 11.039 843 HZ2 LYS 108 2HZ LYS 108 -9.417 -2.918 10.585 844 HZ3 LYS 108 3HZ LYS 108 -10.611 -2.047 11.407 845 H LYS 109 H LYS 109 -16.033 -1.225 9.375 846 HA LYS 109 HA LYS 109 -15.497 -3.576 10.860 847 HB2 LYS 109 2HB LYS 109 -17.963 -1.849 11.137 848 HB3 LYS 109 1HB LYS 109 -17.244 -2.874 12.369 849 HG2 LYS 109 2HG LYS 109 -15.991 -0.392 11.211 850 HG3 LYS 109 1HG LYS 109 -16.817 -0.496 12.764 851 HD2 LYS 109 2HD LYS 109 -15.058 -2.470 13.106 852 HD3 LYS 109 1HD LYS 109 -14.140 -1.487 11.959 853 HE2 LYS 109 2HE LYS 109 -13.496 -0.699 14.078 854 HE3 LYS 109 1HE LYS 109 -14.665 0.485 13.495 855 HZ1 LYS 109 1HZ LYS 109 -16.358 -0.517 14.859 856 HZ2 LYS 109 2HZ LYS 109 -15.013 -0.147 15.827 857 HZ3 LYS 109 3HZ LYS 109 -15.298 -1.748 15.349 858 H ARG 110 H ARG 110 -18.394 -2.576 9.107 859 HA ARG 110 HA ARG 110 -19.755 -5.042 9.356 860 HB2 ARG 110 2HB ARG 110 -20.650 -2.694 8.727 861 HB3 ARG 110 1HB ARG 110 -20.140 -3.089 7.100 862 HG2 ARG 110 2HG ARG 110 -21.716 -4.766 6.866 863 HG3 ARG 110 1HG ARG 110 -21.936 -4.941 8.610 864 HD2 ARG 110 2HD ARG 110 -22.997 -2.732 8.687 865 HD3 ARG 110 1HD ARG 110 -22.789 -2.577 6.941 866 HE ARG 110 HE ARG 110 -24.614 -3.913 6.637 867 HH11 ARG 110 1HH1 ARG 110 -23.488 -4.309 9.936 868 HH12 ARG 110 2HH1 ARG 110 -24.863 -5.257 10.422 869 HH21 ARG 110 1HH2 ARG 110 -26.418 -5.139 7.281 870 HH22 ARG 110 2HH2 ARG 110 -26.540 -5.709 8.913 871 H LEU 111 H LEU 111 -17.371 -3.811 7.248 872 HA LEU 111 HA LEU 111 -17.692 -5.620 5.099 873 HB2 LEU 111 2HB LEU 111 -15.782 -3.557 5.959 874 HB3 LEU 111 1HB LEU 111 -15.159 -4.763 4.871 875 HG LEU 111 HG LEU 111 -17.690 -3.383 4.306 876 HD11 LEU 111 1HD1 LEU 111 -16.483 -1.709 2.979 877 HD12 LEU 111 2HD1 LEU 111 -14.957 -2.393 3.537 878 HD13 LEU 111 3HD1 LEU 111 -16.046 -1.613 4.685 879 HD21 LEU 111 1HD2 LEU 111 -17.133 -3.783 1.995 880 HD22 LEU 111 2HD2 LEU 111 -17.249 -5.264 2.941 881 HD23 LEU 111 3HD2 LEU 111 -15.665 -4.612 2.515 882 H ALA 112 H ALA 112 -15.473 -5.522 7.876 883 HA ALA 112 HA ALA 112 -14.167 -7.911 7.046 884 HB1 ALA 112 1HB ALA 112 -13.122 -7.902 9.268 885 HB2 ALA 112 2HB ALA 112 -14.234 -6.635 9.792 886 HB3 ALA 112 3HB ALA 112 -13.047 -6.303 8.528 887 H ASN 113 H ASN 113 -17.136 -7.246 8.330 888 HA ASN 113 HA ASN 113 -17.423 -9.879 9.522 889 HB2 ASN 113 2HB ASN 113 -18.995 -7.344 9.571 890 HB3 ASN 113 1HB ASN 113 -19.857 -8.858 9.820 891 HD21 ASN 113 1HD2 ASN 113 -17.578 -6.609 11.118 892 HD22 ASN 113 2HD2 ASN 113 -17.480 -7.304 12.702 893 H GLU 114 H GLU 114 -18.858 -7.839 6.969 894 HA GLU 114 HA GLU 114 -20.535 -9.931 5.993 895 HB2 GLU 114 2HB GLU 114 -19.861 -7.169 5.086 896 HB3 GLU 114 1HB GLU 114 -20.652 -8.267 3.963 897 HG2 GLU 114 2HG GLU 114 -22.214 -8.587 6.148 898 HG3 GLU 114 1HG GLU 114 -21.709 -6.908 6.345 899 H ALA 115 H ALA 115 -17.287 -8.759 5.109 900 HA ALA 115 HA ALA 115 -17.297 -10.395 2.700 901 HB1 ALA 115 1HB ALA 115 -14.929 -9.756 2.515 902 HB2 ALA 115 2HB ALA 115 -15.033 -8.962 4.087 903 HB3 ALA 115 3HB ALA 115 -15.981 -8.357 2.727 904 H LYS 116 H LYS 116 -17.297 -11.137 5.817 905 HA LYS 116 HA LYS 116 -15.450 -13.398 5.532 906 HB2 LYS 116 2HB LYS 116 -14.728 -13.021 7.631 907 HB3 LYS 116 1HB LYS 116 -15.428 -11.426 7.396 908 HG2 LYS 116 2HG LYS 116 -17.368 -11.978 8.600 909 HG3 LYS 116 1HG LYS 116 -16.992 -13.700 8.573 910 HD2 LYS 116 2HD LYS 116 -15.449 -13.529 10.250 911 HD3 LYS 116 1HD LYS 116 -15.044 -11.855 9.854 912 HE2 LYS 116 2HE LYS 116 -16.232 -11.985 11.977 913 HE3 LYS 116 1HE LYS 116 -17.185 -11.122 10.773 914 HZ1 LYS 116 1HZ LYS 116 -18.697 -12.545 11.786 915 HZ2 LYS 116 2HZ LYS 116 -17.602 -13.840 11.851 916 HZ3 LYS 116 3HZ LYS 116 -18.285 -13.374 10.368 917 H GLU 117 H GLU 117 -18.747 -12.480 6.022 918 HA GLU 117 HA GLU 117 -19.626 -14.866 7.285 919 HB2 GLU 117 2HB GLU 117 -21.250 -12.928 5.628 920 HB3 GLU 117 1HB GLU 117 -21.889 -14.136 6.733 921 HG2 GLU 117 2HG GLU 117 -20.236 -11.727 7.474 922 HG3 GLU 117 1HG GLU 117 -21.963 -11.945 7.750 923 H ALA 118 H ALA 118 -19.817 -13.731 3.933 924 HA ALA 118 HA ALA 118 -20.074 -14.803 1.945 925 HB1 ALA 118 1HB ALA 118 -18.766 -17.093 3.414 926 HB2 ALA 118 2HB ALA 118 -17.929 -15.792 2.565 927 HB3 ALA 118 3HB ALA 118 -18.920 -16.939 1.664 928 H LYS 119 H LYS 119 -22.254 -14.902 3.844 929 HA LYS 119 HA LYS 119 -23.804 -16.994 2.579 930 HB2 LYS 119 2HB LYS 119 -22.852 -17.193 5.334 931 HB3 LYS 119 1HB LYS 119 -24.600 -17.301 5.216 932 HG2 LYS 119 2HG LYS 119 -24.423 -19.162 3.687 933 HG3 LYS 119 1HG LYS 119 -22.661 -19.022 3.682 934 HD2 LYS 119 2HD LYS 119 -22.548 -19.606 6.005 935 HD3 LYS 119 1HD LYS 119 -24.304 -19.541 6.154 936 HE2 LYS 119 2HE LYS 119 -23.597 -21.839 6.034 937 HE3 LYS 119 1HE LYS 119 -24.479 -21.420 4.565 938 HZ1 LYS 119 1HZ LYS 119 -21.984 -22.557 4.731 939 HZ2 LYS 119 2HZ LYS 119 -21.684 -20.955 4.266 940 HZ3 LYS 119 3HZ LYS 119 -22.721 -21.926 3.338 941 H LYS 120 H LYS 120 -23.578 -14.040 2.871 942 HA LYS 120 HA LYS 120 -24.939 -12.259 2.765 943 HB2 LYS 120 2HB LYS 120 -27.013 -14.416 2.853 944 HB3 LYS 120 1HB LYS 120 -27.491 -12.726 2.957 945 HG2 LYS 120 2HG LYS 120 -25.750 -13.767 0.747 946 HG3 LYS 120 1HG LYS 120 -27.511 -13.776 0.653 947 HD2 LYS 120 2HD LYS 120 -27.660 -11.489 0.548 948 HD3 LYS 120 1HD LYS 120 -26.145 -11.246 1.419 949 HE2 LYS 120 2HE LYS 120 -26.008 -10.603 -0.965 950 HE3 LYS 120 1HE LYS 120 -24.869 -11.873 -0.529 951 HZ1 LYS 120 1HZ LYS 120 -25.992 -13.425 -1.746 952 HZ2 LYS 120 2HZ LYS 120 -26.316 -12.049 -2.681 953 HZ3 LYS 120 3HZ LYS 120 -27.492 -12.644 -1.611 Start of MODEL 5 1 H MET 1 1HT MET 1 -19.458 17.859 3.423 2 HA MET 1 HA MET 1 -17.906 20.371 3.526 3 HB2 MET 1 2HB MET 1 -17.578 17.929 5.282 4 HB3 MET 1 1HB MET 1 -16.665 19.429 5.375 5 HG2 MET 1 2HG MET 1 -19.560 19.000 6.055 6 HG3 MET 1 1HG MET 1 -18.243 19.410 7.152 7 HE1 MET 1 1HE MET 1 -20.463 21.112 7.760 8 HE2 MET 1 2HE MET 1 -21.294 20.863 6.222 9 HE3 MET 1 3HE MET 1 -20.857 22.494 6.737 10 H VAL 2 H VAL 2 -15.642 19.999 2.964 11 HA VAL 2 HA VAL 2 -15.126 17.478 1.566 12 HB VAL 2 HB VAL 2 -13.966 18.947 -0.249 13 HG11 VAL 2 1HG1 VAL 2 -15.999 18.823 -1.633 14 HG12 VAL 2 2HG1 VAL 2 -16.948 18.503 -0.182 15 HG13 VAL 2 3HG1 VAL 2 -15.728 17.346 -0.708 16 HG21 VAL 2 1HG2 VAL 2 -15.251 20.986 -0.792 17 HG22 VAL 2 2HG2 VAL 2 -14.419 21.117 0.757 18 HG23 VAL 2 3HG2 VAL 2 -16.153 20.798 0.711 19 H ASP 3 H ASP 3 -13.449 16.731 2.602 20 HA ASP 3 HA ASP 3 -11.019 18.333 2.696 21 HB2 ASP 3 2HB ASP 3 -10.771 17.103 5.108 22 HB3 ASP 3 1HB ASP 3 -11.333 18.755 4.900 23 H LEU 4 H LEU 4 -12.201 16.010 1.298 24 HA LEU 4 HA LEU 4 -10.775 13.650 1.998 25 HB2 LEU 4 2HB LEU 4 -11.496 12.927 -0.318 26 HB3 LEU 4 1HB LEU 4 -12.777 13.351 0.804 27 HG LEU 4 HG LEU 4 -11.913 15.630 -0.784 28 HD11 LEU 4 1HD1 LEU 4 -13.024 13.214 -2.215 29 HD12 LEU 4 2HD1 LEU 4 -11.468 13.998 -2.502 30 HD13 LEU 4 3HD1 LEU 4 -12.970 14.845 -2.886 31 HD21 LEU 4 1HD2 LEU 4 -14.578 14.258 -0.430 32 HD22 LEU 4 2HD2 LEU 4 -14.314 15.859 -1.119 33 HD23 LEU 4 3HD2 LEU 4 -13.942 15.562 0.579 34 H GLU 5 H GLU 5 -9.575 16.415 1.002 35 HA GLU 5 HA GLU 5 -7.519 15.259 -0.754 36 HB2 GLU 5 2HB GLU 5 -7.077 17.730 -1.292 37 HB3 GLU 5 1HB GLU 5 -8.571 17.033 -1.912 38 HG2 GLU 5 2HG GLU 5 -9.891 18.169 -0.383 39 HG3 GLU 5 1HG GLU 5 -8.544 18.443 0.720 40 H GLN 6 H GLN 6 -7.894 15.572 2.353 41 HA GLN 6 HA GLN 6 -5.183 16.672 2.797 42 HB2 GLN 6 2HB GLN 6 -6.926 18.208 3.621 43 HB3 GLN 6 1HB GLN 6 -7.542 16.932 4.662 44 HG2 GLN 6 2HG GLN 6 -5.122 16.896 5.603 45 HG3 GLN 6 1HG GLN 6 -5.016 18.502 4.884 46 HE21 GLN 6 1HE2 GLN 6 -7.860 19.033 5.346 47 HE22 GLN 6 2HE2 GLN 6 -8.016 19.355 7.036 48 H GLU 7 H GLU 7 -7.606 14.355 3.912 49 HA GLU 7 HA GLU 7 -5.963 13.187 5.934 50 HB2 GLU 7 2HB GLU 7 -7.932 11.333 5.108 51 HB3 GLU 7 1HB GLU 7 -7.935 12.362 6.538 52 HG2 GLU 7 2HG GLU 7 -8.805 14.185 4.960 53 HG3 GLU 7 1HG GLU 7 -9.163 12.855 3.861 54 H PHE 8 H PHE 8 -5.473 13.181 2.772 55 HA PHE 8 HA PHE 8 -4.443 10.430 2.670 56 HB2 PHE 8 2HB PHE 8 -5.234 11.977 0.195 57 HB3 PHE 8 1HB PHE 8 -4.941 10.257 0.355 58 HD1 PHE 8 1HD PHE 8 -7.226 12.534 2.242 59 HD2 PHE 8 2HD PHE 8 -6.839 9.182 -0.343 60 HE1 PHE 8 1HE PHE 8 -9.643 12.184 2.356 61 HE2 PHE 8 2HE PHE 8 -9.275 8.822 -0.228 62 HZ PHE 8 HZ PHE 8 -10.674 10.344 1.120 63 H ALA 9 H ALA 9 -2.674 11.802 3.730 64 HA ALA 9 HA ALA 9 -0.908 12.661 1.660 65 HB1 ALA 9 1HB ALA 9 -0.529 14.869 2.637 66 HB2 ALA 9 2HB ALA 9 -1.783 14.550 3.834 67 HB3 ALA 9 3HB ALA 9 -2.208 14.669 2.129 68 H LEU 10 H LEU 10 0.715 14.075 3.438 69 HA LEU 10 HA LEU 10 2.477 12.054 4.183 70 HB2 LEU 10 2HB LEU 10 2.269 14.959 4.783 71 HB3 LEU 10 1HB LEU 10 3.521 13.989 5.530 72 HG LEU 10 HG LEU 10 3.960 13.288 2.987 73 HD11 LEU 10 1HD1 LEU 10 2.127 14.611 2.092 74 HD12 LEU 10 2HD1 LEU 10 3.682 15.212 1.511 75 HD13 LEU 10 3HD1 LEU 10 2.825 16.072 2.791 76 HD21 LEU 10 1HD2 LEU 10 5.705 14.991 2.912 77 HD22 LEU 10 2HD2 LEU 10 5.606 14.254 4.511 78 HD23 LEU 10 3HD2 LEU 10 4.927 15.859 4.235 79 H GLY 11 H GLY 11 2.112 10.585 5.674 80 HA2 GLY 11 2HA GLY 11 1.949 9.685 7.782 81 HA3 GLY 11 1HA GLY 11 2.029 11.313 8.436 82 H GLY 12 H GLY 12 -0.384 10.863 6.116 83 HA2 GLY 12 2HA GLY 12 -2.431 11.293 8.094 84 HA3 GLY 12 1HA GLY 12 -2.660 11.164 6.354 85 H ARG 13 H ARG 13 -4.247 9.942 8.435 86 HA ARG 13 HA ARG 13 -3.620 7.110 8.010 87 HB2 ARG 13 2HB ARG 13 -5.063 8.593 10.150 88 HB3 ARG 13 1HB ARG 13 -5.640 6.978 9.761 89 HG2 ARG 13 2HG ARG 13 -4.149 6.568 11.458 90 HG3 ARG 13 1HG ARG 13 -3.142 6.312 10.029 91 HD2 ARG 13 2HD ARG 13 -1.862 7.635 11.521 92 HD3 ARG 13 1HD ARG 13 -2.430 8.720 10.248 93 HE ARG 13 HE ARG 13 -4.132 8.614 12.579 94 HH11 ARG 13 1HH1 ARG 13 -1.408 10.221 11.049 95 HH12 ARG 13 2HH1 ARG 13 -1.544 11.640 12.035 96 HH21 ARG 13 1HH2 ARG 13 -4.319 10.481 13.834 97 HH22 ARG 13 2HH2 ARG 13 -3.208 11.800 13.606 98 H CYS 14 H CYS 14 -4.681 6.134 6.459 99 HA CYS 14 HA CYS 14 -7.411 7.022 5.853 100 HB2 CYS 14 2HB CYS 14 -5.061 6.943 4.072 101 HB3 CYS 14 1HB CYS 14 -6.519 6.216 3.407 102 HG CYS 14 HG CYS 14 -6.141 9.446 4.473 103 H LEU 15 H LEU 15 -8.475 5.396 4.365 104 HA LEU 15 HA LEU 15 -7.908 2.700 5.384 105 HB2 LEU 15 2HB LEU 15 -10.417 3.913 4.216 106 HB3 LEU 15 1HB LEU 15 -10.243 2.211 4.595 107 HG LEU 15 HG LEU 15 -10.085 4.457 6.596 108 HD11 LEU 15 1HD1 LEU 15 -12.334 4.179 5.733 109 HD12 LEU 15 2HD1 LEU 15 -12.237 3.572 7.387 110 HD13 LEU 15 3HD1 LEU 15 -12.253 2.443 6.032 111 HD21 LEU 15 1HD2 LEU 15 -10.061 1.473 6.967 112 HD22 LEU 15 2HD2 LEU 15 -10.149 2.668 8.257 113 HD23 LEU 15 3HD2 LEU 15 -8.709 2.571 7.245 114 H ALA 16 H ALA 16 -7.494 1.060 3.929 115 HA ALA 16 HA ALA 16 -7.534 1.903 1.102 116 HB1 ALA 16 1HB ALA 16 -5.243 0.453 2.420 117 HB2 ALA 16 2HB ALA 16 -5.248 2.133 1.889 118 HB3 ALA 16 3HB ALA 16 -5.381 0.835 0.705 119 H PHE 17 H PHE 17 -7.786 0.221 -0.427 120 HA PHE 17 HA PHE 17 -9.301 -1.987 0.754 121 HB2 PHE 17 2HB PHE 17 -9.435 -0.476 -1.754 122 HB3 PHE 17 1HB PHE 17 -9.657 -2.212 -1.947 123 HD1 PHE 17 1HD PHE 17 -11.383 -3.340 -0.401 124 HD2 PHE 17 2HD PHE 17 -11.211 0.855 -1.094 125 HE1 PHE 17 1HE PHE 17 -13.719 -3.131 0.340 126 HE2 PHE 17 2HE PHE 17 -13.551 1.071 -0.354 127 HZ PHE 17 HZ PHE 17 -14.806 -0.919 0.363 128 H HIS 18 H HIS 18 -8.040 -3.602 1.276 129 HA HIS 18 HA HIS 18 -6.080 -4.584 -0.685 130 HB2 HIS 18 2HB HIS 18 -5.436 -4.087 1.802 131 HB3 HIS 18 1HB HIS 18 -6.309 -5.575 2.154 132 HD2 HIS 18 2HD HIS 18 -5.214 -7.889 0.773 133 HE1 HIS 18 1HE HIS 18 -1.392 -6.090 0.524 134 HE2 HIS 18 2HE HIS 18 -2.737 -8.184 0.043 135 H GLY 19 H GLY 19 -7.214 -5.844 -2.026 136 HA2 GLY 19 2HA GLY 19 -8.336 -7.739 -2.710 137 HA3 GLY 19 1HA GLY 19 -8.361 -8.277 -1.035 138 HA PRO 20 HA PRO 20 -12.637 -6.963 -1.365 139 HB2 PRO 20 2HB PRO 20 -13.508 -8.638 0.620 140 HB3 PRO 20 1HB PRO 20 -13.275 -9.120 -1.059 141 HG2 PRO 20 2HG PRO 20 -11.790 -9.949 1.262 142 HG3 PRO 20 1HG PRO 20 -11.598 -10.496 -0.410 143 HD2 PRO 20 2HD PRO 20 -10.042 -8.500 1.106 144 HD3 PRO 20 1HD PRO 20 -9.597 -9.406 -0.361 145 H LEU 21 H LEU 21 -10.490 -6.453 1.258 146 HA LEU 21 HA LEU 21 -12.638 -5.000 2.647 147 HB2 LEU 21 2HB LEU 21 -10.542 -6.792 3.771 148 HB3 LEU 21 1HB LEU 21 -11.163 -5.469 4.742 149 HG LEU 21 HG LEU 21 -12.620 -7.881 3.716 150 HD11 LEU 21 1HD1 LEU 21 -11.542 -8.010 5.902 151 HD12 LEU 21 2HD1 LEU 21 -13.299 -8.044 6.054 152 HD13 LEU 21 3HD1 LEU 21 -12.410 -6.564 6.421 153 HD21 LEU 21 1HD2 LEU 21 -13.865 -5.342 4.768 154 HD22 LEU 21 2HD2 LEU 21 -14.715 -6.850 4.437 155 HD23 LEU 21 3HD2 LEU 21 -13.981 -5.945 3.116 156 H MET 22 H MET 22 -11.831 -3.487 4.255 157 HA MET 22 HA MET 22 -9.818 -1.744 3.091 158 HB2 MET 22 2HB MET 22 -12.399 -1.362 4.423 159 HB3 MET 22 1HB MET 22 -11.135 -0.328 5.082 160 HG2 MET 22 2HG MET 22 -10.645 0.484 2.809 161 HG3 MET 22 1HG MET 22 -11.952 -0.515 2.186 162 HE1 MET 22 1HE MET 22 -14.474 -0.151 2.713 163 HE2 MET 22 2HE MET 22 -15.113 1.141 3.729 164 HE3 MET 22 3HE MET 22 -14.201 -0.184 4.455 165 H TYR 23 H TYR 23 -8.148 -0.998 4.283 166 HA TYR 23 HA TYR 23 -7.893 -1.929 7.062 167 HB2 TYR 23 2HB TYR 23 -5.915 -2.267 4.815 168 HB3 TYR 23 1HB TYR 23 -5.386 -2.212 6.494 169 HD1 TYR 23 1HD TYR 23 -7.067 -3.805 8.028 170 HD2 TYR 23 2HD TYR 23 -6.004 -4.377 3.952 171 HE1 TYR 23 1HE TYR 23 -7.523 -6.213 8.252 172 HE2 TYR 23 2HE TYR 23 -6.458 -6.781 4.161 173 HH TYR 23 HH TYR 23 -6.635 -8.485 5.817 174 H GLU 24 H GLU 24 -7.066 -0.456 8.436 175 HA GLU 24 HA GLU 24 -6.676 2.216 7.426 176 HB2 GLU 24 2HB GLU 24 -6.274 2.784 9.829 177 HB3 GLU 24 1HB GLU 24 -7.831 2.020 9.531 178 HG2 GLU 24 2HG GLU 24 -5.523 0.316 10.297 179 HG3 GLU 24 1HG GLU 24 -6.314 1.289 11.539 180 H ALA 25 H ALA 25 -4.765 3.244 7.194 181 HA ALA 25 HA ALA 25 -2.346 1.995 8.208 182 HB1 ALA 25 1HB ALA 25 -2.752 2.480 5.265 183 HB2 ALA 25 2HB ALA 25 -2.695 0.905 6.056 184 HB3 ALA 25 3HB ALA 25 -1.262 1.932 6.030 185 H LYS 26 H LYS 26 -0.446 3.313 7.866 186 HA LYS 26 HA LYS 26 -1.129 6.162 7.941 187 HB2 LYS 26 2HB LYS 26 0.093 4.962 9.869 188 HB3 LYS 26 1HB LYS 26 1.482 4.923 8.793 189 HG2 LYS 26 2HG LYS 26 0.509 7.570 8.784 190 HG3 LYS 26 1HG LYS 26 0.581 7.042 10.467 191 HD2 LYS 26 2HD LYS 26 2.940 6.113 9.635 192 HD3 LYS 26 1HD LYS 26 2.759 7.449 8.496 193 HE2 LYS 26 2HE LYS 26 3.941 8.267 10.402 194 HE3 LYS 26 1HE LYS 26 2.314 8.951 10.438 195 HZ1 LYS 26 1HZ LYS 26 3.216 8.056 12.603 196 HZ2 LYS 26 2HZ LYS 26 3.043 6.502 11.943 197 HZ3 LYS 26 3HZ LYS 26 1.680 7.492 12.159 198 H ILE 27 H ILE 27 -0.697 7.296 6.165 199 HA ILE 27 HA ILE 27 0.823 6.161 4.024 200 HB ILE 27 HB ILE 27 -0.118 9.023 4.177 201 HG12 ILE 27 2HG1 ILE 27 -1.737 6.769 3.005 202 HG13 ILE 27 1HG1 ILE 27 -1.915 7.231 4.693 203 HG21 ILE 27 1HG2 ILE 27 -0.209 8.814 1.740 204 HG22 ILE 27 2HG2 ILE 27 0.336 7.141 1.864 205 HG23 ILE 27 3HG2 ILE 27 1.405 8.454 2.354 206 HD11 ILE 27 1HD1 ILE 27 -2.379 9.022 2.323 207 HD12 ILE 27 2HD1 ILE 27 -2.593 9.464 4.017 208 HD13 ILE 27 3HD1 ILE 27 -3.628 8.235 3.288 209 H LEU 28 H LEU 28 2.846 6.112 3.845 210 HA LEU 28 HA LEU 28 4.486 7.993 5.344 211 HB2 LEU 28 2HB LEU 28 4.665 5.399 5.363 212 HB3 LEU 28 1HB LEU 28 5.532 5.623 3.852 213 HG LEU 28 HG LEU 28 6.925 7.311 5.202 214 HD11 LEU 28 1HD1 LEU 28 5.736 5.640 7.397 215 HD12 LEU 28 2HD1 LEU 28 5.600 7.389 7.195 216 HD13 LEU 28 3HD1 LEU 28 7.162 6.662 7.581 217 HD21 LEU 28 1HD2 LEU 28 8.495 5.576 5.797 218 HD22 LEU 28 2HD2 LEU 28 7.736 5.183 4.253 219 HD23 LEU 28 3HD2 LEU 28 7.221 4.362 5.730 220 H LYS 29 H LYS 29 3.807 6.977 2.048 221 HA LYS 29 HA LYS 29 5.473 9.222 1.131 222 HB2 LYS 29 2HB LYS 29 5.260 6.581 -0.322 223 HB3 LYS 29 1HB LYS 29 6.207 7.971 -0.812 224 HG2 LYS 29 2HG LYS 29 7.520 7.672 1.323 225 HG3 LYS 29 1HG LYS 29 6.689 6.121 1.498 226 HD2 LYS 29 2HD LYS 29 7.523 5.457 -0.728 227 HD3 LYS 29 1HD LYS 29 8.418 6.974 -0.825 228 HE2 LYS 29 2HE LYS 29 9.455 6.227 1.418 229 HE3 LYS 29 1HE LYS 29 8.866 4.627 0.974 230 HZ1 LYS 29 1HZ LYS 29 10.983 4.634 0.105 231 HZ2 LYS 29 2HZ LYS 29 10.941 6.263 -0.323 232 HZ3 LYS 29 3HZ LYS 29 10.095 5.123 -1.251 233 H ILE 30 H ILE 30 4.491 10.552 -0.233 234 HA ILE 30 HA ILE 30 1.813 9.833 -1.223 235 HB ILE 30 HB ILE 30 3.120 12.559 -1.348 236 HG12 ILE 30 2HG1 ILE 30 3.067 12.088 0.974 237 HG13 ILE 30 1HG1 ILE 30 1.647 13.080 0.647 238 HG21 ILE 30 1HG2 ILE 30 0.807 13.351 -1.538 239 HG22 ILE 30 2HG2 ILE 30 0.253 11.676 -1.525 240 HG23 ILE 30 3HG2 ILE 30 1.259 12.263 -2.849 241 HD11 ILE 30 1HD1 ILE 30 1.152 11.239 2.163 242 HD12 ILE 30 2HD1 ILE 30 1.653 10.089 0.922 243 HD13 ILE 30 3HD1 ILE 30 0.243 11.115 0.656 244 H TRP 31 H TRP 31 1.387 9.766 -3.458 245 HA TRP 31 HA TRP 31 3.838 9.993 -5.071 246 HB2 TRP 31 2HB TRP 31 3.102 7.721 -4.987 247 HB3 TRP 31 1HB TRP 31 1.462 8.189 -5.444 248 HD1 TRP 31 HD TRP 31 0.972 8.498 -7.970 249 HE1 TRP 31 1HE TRP 31 2.367 8.215 -10.121 250 HE3 TRP 31 3HE TRP 31 5.523 8.075 -5.822 251 HZ2 TRP 31 2HZ TRP 31 5.094 7.852 -10.780 252 HZ3 TRP 31 3HZ TRP 31 7.495 7.765 -7.262 253 HH2 TRP 31 HH TRP 31 7.271 7.657 -9.686 254 H ASP 32 H ASP 32 3.901 11.423 -6.609 255 HA ASP 32 HA ASP 32 1.460 12.756 -7.522 256 HB2 ASP 32 2HB ASP 32 3.119 14.260 -6.628 257 HB3 ASP 32 1HB ASP 32 4.379 13.549 -7.628 258 HA PRO 33 HA PRO 33 2.038 10.229 -11.248 259 HB2 PRO 33 2HB PRO 33 -0.384 10.706 -12.252 260 HB3 PRO 33 1HB PRO 33 -0.175 9.682 -10.826 261 HG2 PRO 33 2HG PRO 33 -0.936 12.589 -10.960 262 HG3 PRO 33 1HG PRO 33 -1.717 11.278 -10.052 263 HD2 PRO 33 2HD PRO 33 0.038 12.973 -8.901 264 HD3 PRO 33 1HD PRO 33 -0.090 11.268 -8.419 265 H SER 34 H SER 34 2.121 13.504 -10.913 266 HA SER 34 HA SER 34 1.697 14.155 -13.726 267 HB2 SER 34 2HB SER 34 2.505 16.407 -12.128 268 HB3 SER 34 1HB SER 34 0.967 16.115 -12.941 269 HG SER 34 HG SER 34 1.709 15.655 -10.287 270 H SER 35 H SER 35 4.252 13.729 -11.437 271 HA SER 35 HA SER 35 6.181 14.604 -13.488 272 HB2 SER 35 2HB SER 35 7.046 14.654 -10.666 273 HB3 SER 35 1HB SER 35 7.361 15.804 -11.967 274 HG SER 35 HG SER 35 4.888 15.529 -10.558 275 H LYS 36 H LYS 36 5.253 12.294 -11.092 276 HA LYS 36 HA LYS 36 5.624 10.078 -11.010 277 HB2 LYS 36 2HB LYS 36 6.443 10.227 -13.452 278 HB3 LYS 36 1HB LYS 36 8.060 10.219 -12.745 279 HG2 LYS 36 2HG LYS 36 7.627 8.148 -11.644 280 HG3 LYS 36 1HG LYS 36 5.942 8.182 -12.165 281 HD2 LYS 36 2HD LYS 36 6.707 8.039 -14.517 282 HD3 LYS 36 1HD LYS 36 8.372 7.903 -13.941 283 HE2 LYS 36 2HE LYS 36 7.924 5.835 -12.867 284 HE3 LYS 36 1HE LYS 36 6.190 6.011 -13.102 285 HZ1 LYS 36 1HZ LYS 36 8.186 5.640 -15.271 286 HZ2 LYS 36 2HZ LYS 36 6.510 5.769 -15.481 287 HZ3 LYS 36 3HZ LYS 36 7.161 4.437 -14.663 288 H MET 37 H MET 37 6.322 11.898 -9.330 289 HA MET 37 HA MET 37 8.712 10.905 -8.056 290 HB2 MET 37 2HB MET 37 7.470 13.650 -7.684 291 HB3 MET 37 1HB MET 37 9.015 13.090 -7.058 292 HG2 MET 37 2HG MET 37 10.021 13.181 -9.182 293 HG3 MET 37 1HG MET 37 8.464 13.339 -9.996 294 HE1 MET 37 1HE MET 37 11.305 15.239 -10.105 295 HE2 MET 37 2HE MET 37 10.511 16.772 -10.457 296 HE3 MET 37 3HE MET 37 9.988 15.304 -11.280 297 H TYR 38 H TYR 38 8.386 11.426 -5.641 298 HA TYR 38 HA TYR 38 5.647 11.128 -4.773 299 HB2 TYR 38 2HB TYR 38 6.100 9.115 -3.465 300 HB3 TYR 38 1HB TYR 38 6.393 8.800 -5.169 301 HD1 TYR 38 1HD TYR 38 8.663 8.472 -5.992 302 HD2 TYR 38 2HD TYR 38 7.868 9.079 -1.868 303 HE1 TYR 38 1HE TYR 38 10.910 7.648 -5.446 304 HE2 TYR 38 2HE TYR 38 10.105 8.261 -1.298 305 HH TYR 38 HH TYR 38 12.040 6.572 -3.437 306 H THR 39 H THR 39 5.553 11.452 -2.371 307 HA THR 39 HA THR 39 8.015 12.757 -1.426 308 HB THR 39 HB THR 39 6.846 14.459 -0.372 309 HG1 THR 39 1HG THR 39 4.991 12.882 0.174 310 HG21 THR 39 1HG2 THR 39 5.486 13.974 -3.003 311 HG22 THR 39 2HG2 THR 39 7.042 14.770 -2.762 312 HG23 THR 39 3HG2 THR 39 5.562 15.520 -2.161 313 H SER 40 H SER 40 8.887 11.563 -0.011 314 HA SER 40 HA SER 40 7.317 9.828 1.730 315 HB2 SER 40 2HB SER 40 9.269 8.925 0.422 316 HB3 SER 40 1HB SER 40 10.321 9.978 1.366 317 HG SER 40 HG SER 40 9.540 8.857 3.249 318 H ILE 41 H ILE 41 7.926 9.721 4.040 319 HA ILE 41 HA ILE 41 8.941 12.326 5.004 320 HB ILE 41 HB ILE 41 7.241 10.594 6.736 321 HG12 ILE 41 2HG1 ILE 41 5.810 12.639 5.139 322 HG13 ILE 41 1HG1 ILE 41 6.239 11.149 4.303 323 HG21 ILE 41 1HG2 ILE 41 6.552 12.762 7.651 324 HG22 ILE 41 2HG2 ILE 41 7.569 13.569 6.460 325 HG23 ILE 41 3HG2 ILE 41 8.302 12.543 7.692 326 HD11 ILE 41 1HD1 ILE 41 3.992 11.064 5.243 327 HD12 ILE 41 2HD1 ILE 41 4.661 11.321 6.853 328 HD13 ILE 41 3HD1 ILE 41 5.052 9.853 5.963 329 HA PRO 42 HA PRO 42 12.070 9.678 6.821 330 HB2 PRO 42 2HB PRO 42 13.112 12.137 8.021 331 HB3 PRO 42 1HB PRO 42 13.866 11.072 6.833 332 HG2 PRO 42 2HG PRO 42 12.999 13.553 6.197 333 HG3 PRO 42 1HG PRO 42 12.967 12.210 5.041 334 HD2 PRO 42 2HD PRO 42 10.736 13.350 6.685 335 HD3 PRO 42 1HD PRO 42 10.733 12.830 4.984 336 H ASN 43 H ASN 43 11.284 8.540 8.467 337 HA ASN 43 HA ASN 43 11.240 9.719 11.113 338 HB2 ASN 43 2HB ASN 43 8.894 9.960 10.056 339 HB3 ASN 43 1HB ASN 43 8.791 8.207 10.203 340 HD21 ASN 43 1HD2 ASN 43 10.444 10.270 12.508 341 HD22 ASN 43 2HD2 ASN 43 9.331 10.025 13.811 342 H ASP 44 H ASP 44 12.494 7.612 9.306 343 HA ASP 44 HA ASP 44 12.882 5.626 11.332 344 HB2 ASP 44 2HB ASP 44 10.882 4.642 10.438 345 HB3 ASP 44 1HB ASP 44 11.431 4.893 8.784 346 H LYS 45 H LYS 45 13.126 5.855 7.799 347 HA LYS 45 HA LYS 45 15.632 4.644 7.590 348 HB2 LYS 45 2HB LYS 45 15.746 5.700 5.329 349 HB3 LYS 45 1HB LYS 45 14.258 4.818 5.632 350 HG2 LYS 45 2HG LYS 45 12.975 6.730 5.676 351 HG3 LYS 45 1HG LYS 45 14.334 7.762 6.133 352 HD2 LYS 45 2HD LYS 45 14.324 6.383 3.477 353 HD3 LYS 45 1HD LYS 45 13.389 7.864 3.704 354 HE2 LYS 45 2HE LYS 45 15.264 9.162 4.009 355 HE3 LYS 45 1HE LYS 45 16.231 7.813 4.602 356 HZ1 LYS 45 1HZ LYS 45 15.562 8.506 1.806 357 HZ2 LYS 45 2HZ LYS 45 16.046 6.939 2.226 358 HZ3 LYS 45 3HZ LYS 45 17.086 8.249 2.506 359 HA PRO 46 HA PRO 46 18.448 7.624 9.184 360 HB2 PRO 46 2HB PRO 46 20.332 6.453 7.221 361 HB3 PRO 46 1HB PRO 46 20.477 6.592 8.978 362 HG2 PRO 46 2HG PRO 46 19.974 4.238 7.827 363 HG3 PRO 46 1HG PRO 46 19.207 4.694 9.363 364 HD2 PRO 46 2HD PRO 46 18.061 4.701 6.596 365 HD3 PRO 46 1HD PRO 46 17.308 4.210 8.127 366 H GLY 47 H GLY 47 19.046 9.641 8.678 367 HA2 GLY 47 2HA GLY 47 19.870 10.529 6.124 368 HA3 GLY 47 1HA GLY 47 18.168 10.911 6.362 369 H GLY 48 H GLY 48 21.385 11.806 7.064 370 HA2 GLY 48 2HA GLY 48 20.371 13.872 8.911 371 HA3 GLY 48 1HA GLY 48 21.955 13.135 9.084 372 H SER 49 H SER 49 23.188 14.929 8.868 373 HA SER 49 HA SER 49 22.776 16.888 6.844 374 HB2 SER 49 2HB SER 49 25.422 16.453 8.200 375 HB3 SER 49 1HB SER 49 24.645 17.967 7.734 376 HG SER 49 HG SER 49 24.070 16.273 9.920 377 H SER 50 H SER 50 24.747 17.456 5.397 378 HA SER 50 HA SER 50 26.163 16.973 3.686 379 HB2 SER 50 2HB SER 50 26.167 14.086 4.587 380 HB3 SER 50 1HB SER 50 27.360 14.893 3.568 381 HG SER 50 HG SER 50 27.081 14.892 6.316 382 H GLN 51 H GLN 51 23.563 14.648 4.228 383 HA GLN 51 HA GLN 51 23.161 14.426 1.327 384 HB2 GLN 51 2HB GLN 51 21.637 12.884 3.413 385 HB3 GLN 51 1HB GLN 51 21.933 12.460 1.733 386 HG2 GLN 51 2HG GLN 51 24.283 12.061 2.240 387 HG3 GLN 51 1HG GLN 51 23.995 12.501 3.924 388 HE21 GLN 51 1HE2 GLN 51 25.002 10.012 2.879 389 HE22 GLN 51 2HE2 GLN 51 23.881 8.786 3.360 390 H ALA 52 H ALA 52 21.774 15.644 4.269 391 HA ALA 52 HA ALA 52 20.026 17.006 4.734 392 HB1 ALA 52 1HB ALA 52 20.070 17.576 1.775 393 HB2 ALA 52 2HB ALA 52 20.980 18.439 3.015 394 HB3 ALA 52 3HB ALA 52 19.219 18.519 2.997 395 H THR 53 H THR 53 19.509 14.260 4.289 396 HA THR 53 HA THR 53 17.112 13.915 2.758 397 HB THR 53 HB THR 53 17.411 11.827 4.669 398 HG1 THR 53 1HG THR 53 19.749 11.453 3.721 399 HG21 THR 53 1HG2 THR 53 18.203 12.019 1.760 400 HG22 THR 53 2HG2 THR 53 16.613 11.563 2.372 401 HG23 THR 53 3HG2 THR 53 18.006 10.521 2.666 402 H LYS 54 H LYS 54 17.319 15.852 5.142 403 HA LYS 54 HA LYS 54 15.306 14.849 6.959 404 HB2 LYS 54 2HB LYS 54 16.461 17.643 6.767 405 HB3 LYS 54 1HB LYS 54 15.556 16.973 8.117 406 HG2 LYS 54 2HG LYS 54 17.326 15.630 8.802 407 HG3 LYS 54 1HG LYS 54 18.134 15.736 7.236 408 HD2 LYS 54 2HD LYS 54 18.672 18.056 7.625 409 HD3 LYS 54 1HD LYS 54 17.742 18.053 9.121 410 HE2 LYS 54 2HE LYS 54 20.089 16.226 8.692 411 HE3 LYS 54 1HE LYS 54 20.275 17.860 9.325 412 HZ1 LYS 54 1HZ LYS 54 20.129 16.456 11.187 413 HZ2 LYS 54 2HZ LYS 54 18.823 15.586 10.548 414 HZ3 LYS 54 3HZ LYS 54 18.602 17.187 11.069 415 H GLU 55 H GLU 55 15.455 16.546 4.013 416 HA GLU 55 HA GLU 55 12.622 17.330 4.245 417 HB2 GLU 55 2HB GLU 55 14.554 18.643 2.357 418 HB3 GLU 55 1HB GLU 55 12.990 19.226 2.904 419 HG2 GLU 55 2HG GLU 55 13.838 19.864 4.988 420 HG3 GLU 55 1HG GLU 55 15.318 18.930 4.769 421 H ILE 56 H ILE 56 11.715 15.540 3.303 422 HA ILE 56 HA ILE 56 12.790 14.596 0.791 423 HB ILE 56 HB ILE 56 10.385 13.641 2.325 424 HG12 ILE 56 2HG1 ILE 56 12.475 13.063 3.425 425 HG13 ILE 56 1HG1 ILE 56 11.797 11.624 2.675 426 HG21 ILE 56 1HG2 ILE 56 10.377 11.777 0.703 427 HG22 ILE 56 2HG2 ILE 56 11.625 12.609 -0.224 428 HG23 ILE 56 3HG2 ILE 56 10.031 13.337 -0.047 429 HD11 ILE 56 1HD1 ILE 56 14.225 11.780 2.389 430 HD12 ILE 56 2HD1 ILE 56 14.012 13.295 1.510 431 HD13 ILE 56 3HD1 ILE 56 13.366 11.794 0.849 432 H LYS 57 H LYS 57 12.518 16.129 -0.644 433 HA LYS 57 HA LYS 57 9.918 17.314 -1.126 434 HB2 LYS 57 2HB LYS 57 11.317 18.234 -3.177 435 HB3 LYS 57 1HB LYS 57 11.545 18.903 -1.568 436 HG2 LYS 57 2HG LYS 57 13.374 16.929 -1.519 437 HG3 LYS 57 1HG LYS 57 13.371 17.314 -3.240 438 HD2 LYS 57 2HD LYS 57 15.047 18.661 -2.197 439 HD3 LYS 57 1HD LYS 57 13.700 19.719 -2.615 440 HE2 LYS 57 2HE LYS 57 12.943 19.773 -0.353 441 HE3 LYS 57 1HE LYS 57 14.065 18.496 0.113 442 HZ1 LYS 57 1HZ LYS 57 14.828 21.227 -0.785 443 HZ2 LYS 57 2HZ LYS 57 15.909 19.995 -0.352 444 HZ3 LYS 57 3HZ LYS 57 14.872 20.665 0.817 445 HA PRO 58 HA PRO 58 8.398 14.459 -4.127 446 HB2 PRO 58 2HB PRO 58 8.678 16.492 -6.295 447 HB3 PRO 58 1HB PRO 58 7.274 15.522 -5.836 448 HG2 PRO 58 2HG PRO 58 7.431 18.107 -5.190 449 HG3 PRO 58 1HG PRO 58 6.702 16.924 -4.084 450 HD2 PRO 58 2HD PRO 58 9.356 18.272 -3.949 451 HD3 PRO 58 1HD PRO 58 8.291 17.743 -2.631 452 H GLN 59 H GLN 59 9.916 12.935 -4.379 453 HA GLN 59 HA GLN 59 12.095 13.415 -6.302 454 HB2 GLN 59 2HB GLN 59 11.925 11.791 -3.792 455 HB3 GLN 59 1HB GLN 59 13.037 11.300 -5.060 456 HG2 GLN 59 2HG GLN 59 14.497 12.881 -4.519 457 HG3 GLN 59 1HG GLN 59 13.249 14.124 -4.476 458 HE21 GLN 59 1HE2 GLN 59 13.029 11.287 -2.476 459 HE22 GLN 59 2HE2 GLN 59 13.357 12.075 -0.976 460 H LYS 60 H LYS 60 12.441 11.904 -7.897 461 HA LYS 60 HA LYS 60 10.192 10.430 -8.773 462 HB2 LYS 60 2HB LYS 60 13.006 10.651 -9.858 463 HB3 LYS 60 1HB LYS 60 11.709 9.769 -10.650 464 HG2 LYS 60 2HG LYS 60 10.421 11.972 -10.600 465 HG3 LYS 60 1HG LYS 60 11.976 12.721 -10.227 466 HD2 LYS 60 2HD LYS 60 12.921 11.862 -12.282 467 HD3 LYS 60 1HD LYS 60 11.436 10.977 -12.631 468 HE2 LYS 60 2HE LYS 60 10.239 13.182 -12.640 469 HE3 LYS 60 1HE LYS 60 11.818 13.964 -12.535 470 HZ1 LYS 60 1HZ LYS 60 12.368 12.620 -14.616 471 HZ2 LYS 60 2HZ LYS 60 11.316 13.936 -14.797 472 HZ3 LYS 60 3HZ LYS 60 10.700 12.355 -14.755 473 H LEU 61 H LEU 61 9.999 8.276 -8.936 474 HA LEU 61 HA LEU 61 10.782 6.671 -6.892 475 HB2 LEU 61 2HB LEU 61 9.939 6.136 -9.678 476 HB3 LEU 61 1HB LEU 61 10.461 4.786 -8.686 477 HG LEU 61 HG LEU 61 8.166 6.667 -8.139 478 HD11 LEU 61 1HD1 LEU 61 7.736 4.925 -9.795 479 HD12 LEU 61 2HD1 LEU 61 6.833 4.642 -8.307 480 HD13 LEU 61 3HD1 LEU 61 8.284 3.701 -8.653 481 HD21 LEU 61 1HD2 LEU 61 9.348 6.176 -6.074 482 HD22 LEU 61 2HD2 LEU 61 9.277 4.447 -6.431 483 HD23 LEU 61 3HD2 LEU 61 7.790 5.348 -6.127 484 H GLY 62 H GLY 62 12.539 5.812 -6.210 485 HA2 GLY 62 2HA GLY 62 15.023 6.031 -7.539 486 HA3 GLY 62 1HA GLY 62 14.715 5.098 -6.081 487 H GLU 63 H GLU 63 16.493 3.948 -7.521 488 HA GLU 63 HA GLU 63 15.447 2.289 -9.647 489 HB2 GLU 63 2HB GLU 63 18.064 1.708 -8.341 490 HB3 GLU 63 1HB GLU 63 17.635 1.694 -10.048 491 HG2 GLU 63 2HG GLU 63 18.123 3.867 -10.326 492 HG3 GLU 63 1HG GLU 63 17.523 4.312 -8.731 493 H ASP 64 H ASP 64 14.860 2.160 -6.538 494 HA ASP 64 HA ASP 64 15.035 -0.788 -6.357 495 HB2 ASP 64 2HB ASP 64 16.450 0.463 -4.682 496 HB3 ASP 64 1HB ASP 64 14.969 1.170 -4.050 497 H GLU 65 H GLU 65 13.139 1.858 -6.748 498 HA GLU 65 HA GLU 65 10.836 0.628 -5.444 499 HB2 GLU 65 2HB GLU 65 11.427 3.448 -6.270 500 HB3 GLU 65 1HB GLU 65 9.830 2.922 -5.755 501 HG2 GLU 65 2HG GLU 65 10.611 2.402 -3.574 502 HG3 GLU 65 1HG GLU 65 12.290 2.604 -4.060 503 H SER 66 H SER 66 8.875 0.890 -6.528 504 HA SER 66 HA SER 66 8.690 1.249 -9.334 505 HB2 SER 66 2HB SER 66 8.821 -1.578 -8.264 506 HB3 SER 66 1HB SER 66 8.035 -1.187 -9.797 507 HG SER 66 HG SER 66 10.566 -0.120 -9.493 508 H ILE 67 H ILE 67 6.711 1.864 -9.725 509 HA ILE 67 HA ILE 67 4.552 1.022 -7.901 510 HB ILE 67 HB ILE 67 4.843 3.552 -9.531 511 HG12 ILE 67 2HG1 ILE 67 4.722 2.943 -6.582 512 HG13 ILE 67 1HG1 ILE 67 6.021 3.729 -7.476 513 HG21 ILE 67 1HG2 ILE 67 2.555 2.808 -9.735 514 HG22 ILE 67 2HG2 ILE 67 2.640 4.212 -8.669 515 HG23 ILE 67 3HG2 ILE 67 2.439 2.597 -7.987 516 HD11 ILE 67 1HD1 ILE 67 3.282 4.850 -6.976 517 HD12 ILE 67 2HD1 ILE 67 4.567 5.642 -7.889 518 HD13 ILE 67 3HD1 ILE 67 4.774 5.328 -6.165 519 HA PRO 68 HA PRO 68 2.729 -1.139 -11.396 520 HB2 PRO 68 2HB PRO 68 0.207 -0.228 -10.080 521 HB3 PRO 68 1HB PRO 68 0.660 -1.845 -10.639 522 HG2 PRO 68 2HG PRO 68 0.695 -1.260 -8.049 523 HG3 PRO 68 1HG PRO 68 1.965 -2.273 -8.768 524 HD2 PRO 68 2HD PRO 68 2.066 0.585 -7.915 525 HD3 PRO 68 1HD PRO 68 3.330 -0.665 -7.842 526 H GLU 69 H GLU 69 2.766 -0.096 -13.300 527 HA GLU 69 HA GLU 69 2.361 2.639 -13.653 528 HB2 GLU 69 2HB GLU 69 2.292 0.414 -15.685 529 HB3 GLU 69 1HB GLU 69 2.321 2.123 -16.090 530 HG2 GLU 69 2HG GLU 69 4.429 1.033 -14.296 531 HG3 GLU 69 1HG GLU 69 4.524 0.713 -16.027 532 H GLU 70 H GLU 70 0.005 0.255 -13.236 533 HA GLU 70 HA GLU 70 -2.043 1.570 -14.783 534 HB2 GLU 70 2HB GLU 70 -3.560 -0.078 -13.608 535 HB3 GLU 70 1HB GLU 70 -2.289 -0.785 -14.593 536 HG2 GLU 70 2HG GLU 70 -1.623 -0.370 -11.756 537 HG3 GLU 70 1HG GLU 70 -2.874 -1.568 -12.090 538 H ILE 71 H ILE 71 -0.635 2.052 -11.719 539 HA ILE 71 HA ILE 71 -2.981 3.642 -10.874 540 HB ILE 71 HB ILE 71 -2.450 3.234 -8.550 541 HG12 ILE 71 2HG1 ILE 71 -0.218 1.402 -9.440 542 HG13 ILE 71 1HG1 ILE 71 0.047 3.067 -8.941 543 HG21 ILE 71 1HG2 ILE 71 -2.502 0.670 -10.130 544 HG22 ILE 71 2HG2 ILE 71 -3.898 1.605 -9.597 545 HG23 ILE 71 3HG2 ILE 71 -2.862 0.810 -8.411 546 HD11 ILE 71 1HD1 ILE 71 0.511 1.461 -7.153 547 HD12 ILE 71 2HD1 ILE 71 -1.170 0.926 -7.213 548 HD13 ILE 71 3HD1 ILE 71 -0.786 2.580 -6.732 549 H ILE 72 H ILE 72 0.238 3.629 -11.754 550 HA ILE 72 HA ILE 72 1.494 5.590 -10.240 551 HB ILE 72 HB ILE 72 2.418 4.044 -11.964 552 HG12 ILE 72 2HG1 ILE 72 3.515 6.189 -10.850 553 HG13 ILE 72 1HG1 ILE 72 4.373 5.230 -12.049 554 HG21 ILE 72 1HG2 ILE 72 1.554 6.195 -13.863 555 HG22 ILE 72 2HG2 ILE 72 1.025 4.510 -13.846 556 HG23 ILE 72 3HG2 ILE 72 2.697 4.911 -14.252 557 HD11 ILE 72 1HD1 ILE 72 3.742 6.816 -13.781 558 HD12 ILE 72 2HD1 ILE 72 4.613 7.608 -12.467 559 HD13 ILE 72 3HD1 ILE 72 2.861 7.774 -12.589 560 H ASN 73 H ASN 73 -0.929 5.957 -12.706 561 HA ASN 73 HA ASN 73 -0.433 8.846 -12.797 562 HB2 ASN 73 2HB ASN 73 -2.080 8.780 -14.719 563 HB3 ASN 73 1HB ASN 73 -0.556 7.943 -14.995 564 HD21 ASN 73 1HD2 ASN 73 -0.522 5.729 -15.121 565 HD22 ASN 73 2HD2 ASN 73 -1.961 4.792 -15.329 566 H GLY 74 H GLY 74 -1.879 7.029 -10.733 567 HA2 GLY 74 2HA GLY 74 -4.378 8.661 -10.687 568 HA3 GLY 74 1HA GLY 74 -4.319 6.998 -10.140 569 H LYS 75 H LYS 75 -1.668 9.080 -9.347 570 HA LYS 75 HA LYS 75 -0.842 9.833 -7.370 571 HB2 LYS 75 2HB LYS 75 -2.801 11.355 -7.532 572 HB3 LYS 75 1HB LYS 75 -3.735 10.204 -6.588 573 HG2 LYS 75 2HG LYS 75 -2.762 10.805 -4.648 574 HG3 LYS 75 1HG LYS 75 -1.183 11.050 -5.393 575 HD2 LYS 75 2HD LYS 75 -3.529 12.941 -5.580 576 HD3 LYS 75 1HD LYS 75 -2.121 13.147 -4.531 577 HE2 LYS 75 2HE LYS 75 -0.677 13.261 -6.496 578 HE3 LYS 75 1HE LYS 75 -2.074 13.024 -7.545 579 HZ1 LYS 75 1HZ LYS 75 -2.999 15.102 -6.624 580 HZ2 LYS 75 2HZ LYS 75 -1.542 15.340 -7.455 581 HZ3 LYS 75 3HZ LYS 75 -1.563 15.344 -5.760 582 H CYS 76 H CYS 76 0.164 8.363 -6.239 583 HA CYS 76 HA CYS 76 -1.453 6.243 -4.991 584 HB2 CYS 76 2HB CYS 76 1.522 6.109 -5.424 585 HB3 CYS 76 1HB CYS 76 0.404 4.787 -5.109 586 HG CYS 76 HG CYS 76 1.483 5.869 -7.966 587 H PHE 77 H PHE 77 -0.453 5.310 -3.019 588 HA PHE 77 HA PHE 77 0.898 7.268 -1.347 589 HB2 PHE 77 2HB PHE 77 -1.721 5.928 -0.652 590 HB3 PHE 77 1HB PHE 77 -0.726 6.824 0.495 591 HD1 PHE 77 1HD PHE 77 -0.188 9.263 -0.105 592 HD2 PHE 77 2HD PHE 77 -3.333 7.030 -1.895 593 HE1 PHE 77 1HE PHE 77 -1.272 11.356 -0.791 594 HE2 PHE 77 2HE PHE 77 -4.428 9.125 -2.587 595 HZ PHE 77 HZ PHE 77 -3.391 11.286 -2.052 596 H PHE 78 H PHE 78 2.626 6.265 -0.633 597 HA PHE 78 HA PHE 78 2.644 3.367 -0.424 598 HB2 PHE 78 2HB PHE 78 4.638 4.640 -1.282 599 HB3 PHE 78 1HB PHE 78 4.845 5.301 0.337 600 HD1 PHE 78 1HD PHE 78 4.782 2.145 -1.589 601 HD2 PHE 78 2HD PHE 78 5.993 4.090 1.998 602 HE1 PHE 78 1HE PHE 78 6.122 0.176 -0.977 603 HE2 PHE 78 2HE PHE 78 7.336 2.122 2.616 604 HZ PHE 78 HZ PHE 78 7.405 0.163 1.120 605 H ILE 79 H ILE 79 1.419 2.760 1.204 606 HA ILE 79 HA ILE 79 1.755 4.061 3.823 607 HB ILE 79 HB ILE 79 -0.357 3.330 4.447 608 HG12 ILE 79 2HG1 ILE 79 0.060 1.300 2.297 609 HG13 ILE 79 1HG1 ILE 79 -0.467 1.081 3.960 610 HG21 ILE 79 1HG2 ILE 79 -0.552 3.990 1.508 611 HG22 ILE 79 2HG2 ILE 79 -0.496 5.146 2.839 612 HG23 ILE 79 3HG2 ILE 79 -1.879 4.068 2.666 613 HD11 ILE 79 1HD1 ILE 79 -2.102 2.150 1.688 614 HD12 ILE 79 2HD1 ILE 79 -2.639 2.039 3.363 615 HD13 ILE 79 3HD1 ILE 79 -2.254 0.573 2.463 616 H HIS 80 H HIS 80 1.597 2.802 5.597 617 HA HIS 80 HA HIS 80 2.694 0.110 5.311 618 HB2 HIS 80 2HB HIS 80 4.443 1.376 6.217 619 HB3 HIS 80 1HB HIS 80 3.347 2.423 7.109 620 HD1 HIS 80 1HD HIS 80 5.372 -0.640 7.430 621 HD2 HIS 80 2HD HIS 80 2.337 1.292 9.475 622 HE1 HIS 80 1HE HIS 80 5.373 -1.659 9.743 623 HE2 HIS 80 2HE HIS 80 3.377 -0.629 10.888 624 H TYR 81 H TYR 81 1.009 -1.180 5.697 625 HA TYR 81 HA TYR 81 -1.411 -0.469 6.822 626 HB2 TYR 81 2HB TYR 81 -0.057 -3.149 6.545 627 HB3 TYR 81 1HB TYR 81 -1.678 -2.989 7.219 628 HD1 TYR 81 1HD TYR 81 -3.416 -1.759 5.771 629 HD2 TYR 81 2HD TYR 81 0.236 -3.300 4.244 630 HE1 TYR 81 1HE TYR 81 -4.358 -1.728 3.501 631 HE2 TYR 81 2HE TYR 81 -0.691 -3.269 1.968 632 HH TYR 81 HH TYR 81 -3.056 -3.364 0.947 633 H GLN 82 H GLN 82 -1.702 0.372 8.733 634 HA GLN 82 HA GLN 82 0.016 0.126 10.933 635 HB2 GLN 82 2HB GLN 82 -1.623 1.976 10.486 636 HB3 GLN 82 1HB GLN 82 -2.900 0.894 11.017 637 HG2 GLN 82 2HG GLN 82 -2.059 0.828 13.223 638 HG3 GLN 82 1HG GLN 82 -0.545 1.591 12.741 639 HE21 GLN 82 1HE2 GLN 82 -3.946 2.109 13.355 640 HE22 GLN 82 2HE2 GLN 82 -3.856 3.839 13.478 641 H GLY 83 H GLY 83 0.447 -1.750 11.829 642 HA2 GLY 83 2HA GLY 83 -0.666 -3.123 13.693 643 HA3 GLY 83 1HA GLY 83 -1.766 -3.610 12.408 644 H TRP 84 H TRP 84 0.367 -3.572 10.412 645 HA TRP 84 HA TRP 84 1.647 -6.117 11.150 646 HB2 TRP 84 2HB TRP 84 1.307 -5.054 8.348 647 HB3 TRP 84 1HB TRP 84 1.650 -6.705 8.846 648 HD1 TRP 84 HD TRP 84 -1.105 -4.596 7.714 649 HE1 TRP 84 1HE TRP 84 -3.384 -5.711 8.161 650 HE3 TRP 84 3HE TRP 84 0.429 -8.283 10.898 651 HZ2 TRP 84 2HZ TRP 84 -4.398 -7.883 9.684 652 HZ3 TRP 84 3HZ TRP 84 -1.258 -9.835 11.809 653 HH2 TRP 84 HH TRP 84 -3.616 -9.633 11.211 654 H LYS 85 H LYS 85 3.724 -6.360 9.597 655 HA LYS 85 HA LYS 85 5.407 -4.121 10.375 656 HB2 LYS 85 2HB LYS 85 7.302 -5.598 9.771 657 HB3 LYS 85 1HB LYS 85 6.255 -6.282 11.000 658 HG2 LYS 85 2HG LYS 85 5.178 -7.661 9.247 659 HG3 LYS 85 1HG LYS 85 6.363 -7.040 8.092 660 HD2 LYS 85 2HD LYS 85 8.172 -7.913 9.526 661 HD3 LYS 85 1HD LYS 85 6.963 -8.588 10.613 662 HE2 LYS 85 2HE LYS 85 6.102 -9.941 8.708 663 HE3 LYS 85 1HE LYS 85 7.451 -9.342 7.741 664 HZ1 LYS 85 1HZ LYS 85 8.002 -11.480 8.659 665 HZ2 LYS 85 2HZ LYS 85 7.644 -10.951 10.229 666 HZ3 LYS 85 3HZ LYS 85 8.971 -10.299 9.399 667 H SER 86 H SER 86 7.339 -3.869 8.659 668 HA SER 86 HA SER 86 6.240 -2.403 6.551 669 HB2 SER 86 2HB SER 86 8.980 -3.202 6.048 670 HB3 SER 86 1HB SER 86 8.330 -1.613 6.454 671 HG SER 86 HG SER 86 9.770 -2.341 8.064 672 H SER 87 H SER 87 6.560 -5.752 6.727 673 HA SER 87 HA SER 87 7.263 -6.294 4.021 674 HB2 SER 87 2HB SER 87 5.793 -8.087 5.955 675 HB3 SER 87 1HB SER 87 6.679 -8.588 4.518 676 HG SER 87 HG SER 87 8.565 -8.190 5.496 677 H TRP 88 H TRP 88 4.467 -5.054 5.385 678 HA TRP 88 HA TRP 88 2.757 -6.119 3.238 679 HB2 TRP 88 2HB TRP 88 2.161 -4.960 5.953 680 HB3 TRP 88 1HB TRP 88 0.923 -5.010 4.705 681 HD1 TRP 88 HD TRP 88 3.183 -7.412 6.701 682 HE1 TRP 88 1HE TRP 88 1.977 -9.676 6.879 683 HE3 TRP 88 3HE TRP 88 -0.866 -6.388 3.763 684 HZ2 TRP 88 2HZ TRP 88 -0.394 -10.875 5.886 685 HZ3 TRP 88 3HZ TRP 88 -2.560 -8.144 3.425 686 HH2 TRP 88 HH TRP 88 -2.325 -10.336 4.466 687 H ASP 89 H ASP 89 4.577 -3.480 4.102 688 HA ASP 89 HA ASP 89 2.975 -1.303 3.360 689 HB2 ASP 89 2HB ASP 89 5.986 -1.578 3.223 690 HB3 ASP 89 1HB ASP 89 5.096 -0.061 3.151 691 H GLU 90 H GLU 90 2.321 -0.562 1.458 692 HA GLU 90 HA GLU 90 3.846 -1.056 -0.928 693 HB2 GLU 90 2HB GLU 90 2.063 -2.172 -2.172 694 HB3 GLU 90 1HB GLU 90 2.596 -3.138 -0.807 695 HG2 GLU 90 2HG GLU 90 0.631 -2.607 0.433 696 HG3 GLU 90 1HG GLU 90 0.141 -1.396 -0.758 697 H TRP 91 H TRP 91 2.343 -0.317 -2.894 698 HA TRP 91 HA TRP 91 1.619 2.425 -2.233 699 HB2 TRP 91 2HB TRP 91 2.081 0.999 -4.843 700 HB3 TRP 91 1HB TRP 91 1.477 2.648 -4.750 701 HD1 TRP 91 HD TRP 91 4.617 0.623 -4.634 702 HE1 TRP 91 1HE TRP 91 6.633 2.195 -4.436 703 HE3 TRP 91 3HE TRP 91 2.168 4.982 -3.536 704 HZ2 TRP 91 2HZ TRP 91 7.126 4.911 -3.905 705 HZ3 TRP 91 3HZ TRP 91 3.509 7.021 -3.192 706 HH2 TRP 91 HH TRP 91 5.936 6.979 -3.363 707 H VAL 92 H VAL 92 -0.448 2.852 -1.783 708 HA VAL 92 HA VAL 92 -2.505 1.351 -3.251 709 HB VAL 92 HB VAL 92 -4.111 2.201 -1.534 710 HG11 VAL 92 1HG1 VAL 92 -3.208 -0.045 -1.398 711 HG12 VAL 92 2HG1 VAL 92 -3.425 0.635 0.215 712 HG13 VAL 92 3HG1 VAL 92 -1.814 0.552 -0.500 713 HG21 VAL 92 1HG2 VAL 92 -3.258 3.085 0.564 714 HG22 VAL 92 2HG2 VAL 92 -2.817 4.140 -0.780 715 HG23 VAL 92 3HG2 VAL 92 -1.615 3.058 -0.075 716 H GLY 93 H GLY 93 -3.875 2.467 -4.585 717 HA2 GLY 93 2HA GLY 93 -3.163 5.307 -4.942 718 HA3 GLY 93 1HA GLY 93 -3.850 4.271 -6.189 719 H TYR 94 H TYR 94 -5.033 6.614 -5.900 720 HA TYR 94 HA TYR 94 -7.070 6.902 -4.013 721 HB2 TYR 94 2HB TYR 94 -6.401 8.010 -6.631 722 HB3 TYR 94 1HB TYR 94 -8.130 7.987 -6.307 723 HD1 TYR 94 1HD TYR 94 -4.989 9.567 -5.595 724 HD2 TYR 94 2HD TYR 94 -8.991 9.092 -4.264 725 HE1 TYR 94 1HE TYR 94 -4.747 11.564 -4.206 726 HE2 TYR 94 2HE TYR 94 -8.777 11.084 -2.871 727 HH TYR 94 HH TYR 94 -7.073 12.442 -1.824 728 H ASP 95 H ASP 95 -6.718 4.628 -6.378 729 HA ASP 95 HA ASP 95 -9.549 4.144 -6.847 730 HB2 ASP 95 2HB ASP 95 -7.702 3.886 -8.620 731 HB3 ASP 95 1HB ASP 95 -7.300 2.382 -7.798 732 H ARG 96 H ARG 96 -7.034 3.133 -4.768 733 HA ARG 96 HA ARG 96 -8.763 0.976 -3.752 734 HB2 ARG 96 2HB ARG 96 -5.832 0.908 -4.371 735 HB3 ARG 96 1HB ARG 96 -6.415 0.002 -2.981 736 HG2 ARG 96 2HG ARG 96 -8.162 -0.864 -4.780 737 HG3 ARG 96 1HG ARG 96 -6.834 -0.456 -5.867 738 HD2 ARG 96 2HD ARG 96 -6.653 -2.277 -3.467 739 HD3 ARG 96 1HD ARG 96 -6.717 -2.794 -5.152 740 HE ARG 96 HE ARG 96 -4.557 -1.588 -5.440 741 HH11 ARG 96 1HH1 ARG 96 -5.524 -2.639 -2.221 742 HH12 ARG 96 2HH1 ARG 96 -3.885 -2.784 -1.657 743 HH21 ARG 96 1HH2 ARG 96 -2.429 -1.767 -4.670 744 HH22 ARG 96 2HH2 ARG 96 -2.123 -2.321 -3.046 745 H ILE 97 H ILE 97 -8.072 3.897 -3.143 746 HA ILE 97 HA ILE 97 -7.642 3.418 -0.292 747 HB ILE 97 HB ILE 97 -5.681 4.517 -1.739 748 HG12 ILE 97 2HG1 ILE 97 -6.576 5.194 1.041 749 HG13 ILE 97 1HG1 ILE 97 -5.395 3.995 0.538 750 HG21 ILE 97 1HG2 ILE 97 -7.364 6.855 -0.888 751 HG22 ILE 97 2HG2 ILE 97 -6.973 6.382 -2.542 752 HG23 ILE 97 3HG2 ILE 97 -5.698 6.950 -1.459 753 HD11 ILE 97 1HD1 ILE 97 -3.875 5.764 -0.137 754 HD12 ILE 97 2HD1 ILE 97 -4.321 5.918 1.559 755 HD13 ILE 97 3HD1 ILE 97 -5.058 6.978 0.352 756 H ARG 98 H ARG 98 -8.761 4.653 1.094 757 HA ARG 98 HA ARG 98 -10.673 6.612 0.050 758 HB2 ARG 98 2HB ARG 98 -11.443 4.534 2.114 759 HB3 ARG 98 1HB ARG 98 -12.498 5.667 1.285 760 HG2 ARG 98 2HG ARG 98 -11.074 3.356 -0.025 761 HG3 ARG 98 1HG ARG 98 -12.764 3.365 0.484 762 HD2 ARG 98 2HD ARG 98 -13.182 5.258 -1.041 763 HD3 ARG 98 1HD ARG 98 -11.503 5.177 -1.572 764 HE ARG 98 HE ARG 98 -13.418 2.965 -1.976 765 HH11 ARG 98 1HH1 ARG 98 -10.869 5.077 -3.099 766 HH12 ARG 98 2HH1 ARG 98 -10.784 4.355 -4.673 767 HH21 ARG 98 1HH2 ARG 98 -13.277 1.961 -4.042 768 HH22 ARG 98 2HH2 ARG 98 -12.138 2.576 -5.210 769 H ALA 99 H ALA 99 -11.815 7.421 2.445 770 HA ALA 99 HA ALA 99 -9.452 8.403 3.842 771 HB1 ALA 99 1HB ALA 99 -10.926 10.101 4.815 772 HB2 ALA 99 2HB ALA 99 -12.312 9.401 3.976 773 HB3 ALA 99 3HB ALA 99 -11.007 10.148 3.054 774 H TYR 100 H TYR 100 -9.414 8.363 6.039 775 HA TYR 100 HA TYR 100 -10.846 6.116 7.198 776 HB2 TYR 100 2HB TYR 100 -8.453 6.138 7.375 777 HB3 TYR 100 1HB TYR 100 -8.473 7.780 7.968 778 HD1 TYR 100 1HD TYR 100 -9.037 8.211 10.354 779 HD2 TYR 100 2HD TYR 100 -8.878 4.267 8.777 780 HE1 TYR 100 1HE TYR 100 -8.957 7.306 12.639 781 HE2 TYR 100 2HE TYR 100 -8.804 3.349 11.053 782 HH TYR 100 HH TYR 100 -8.031 4.238 13.371 783 H ASN 101 H ASN 101 -12.839 6.923 7.580 784 HA ASN 101 HA ASN 101 -13.062 8.902 9.688 785 HB2 ASN 101 2HB ASN 101 -14.935 10.062 8.460 786 HB3 ASN 101 1HB ASN 101 -13.333 10.341 7.790 787 HD21 ASN 101 1HD2 ASN 101 -13.476 10.502 5.684 788 HD22 ASN 101 2HD2 ASN 101 -14.404 9.477 4.643 789 H GLU 102 H GLU 102 -15.196 8.929 10.619 790 HA GLU 102 HA GLU 102 -15.998 6.340 11.310 791 HB2 GLU 102 2HB GLU 102 -17.405 8.973 11.725 792 HB3 GLU 102 1HB GLU 102 -17.902 7.456 12.463 793 HG2 GLU 102 2HG GLU 102 -15.270 8.860 12.865 794 HG3 GLU 102 1HG GLU 102 -16.597 8.757 14.021 795 H GLU 103 H GLU 103 -16.932 8.128 8.561 796 HA GLU 103 HA GLU 103 -19.514 6.876 8.283 797 HB2 GLU 103 2HB GLU 103 -19.158 9.075 7.289 798 HB3 GLU 103 1HB GLU 103 -17.857 8.438 6.292 799 HG2 GLU 103 2HG GLU 103 -19.699 6.806 5.426 800 HG3 GLU 103 1HG GLU 103 -20.806 8.032 6.048 801 H ASN 104 H ASN 104 -16.312 6.514 6.800 802 HA ASN 104 HA ASN 104 -17.227 4.279 5.179 803 HB2 ASN 104 2HB ASN 104 -15.666 6.067 4.347 804 HB3 ASN 104 1HB ASN 104 -14.443 5.417 5.434 805 HD21 ASN 104 1HD2 ASN 104 -13.084 4.894 3.784 806 HD22 ASN 104 2HD2 ASN 104 -13.380 3.555 2.729 807 H ILE 105 H ILE 105 -15.265 4.879 8.021 808 HA ILE 105 HA ILE 105 -14.075 2.331 8.233 809 HB ILE 105 HB ILE 105 -14.812 4.260 10.390 810 HG12 ILE 105 2HG1 ILE 105 -12.187 3.806 8.968 811 HG13 ILE 105 1HG1 ILE 105 -13.263 5.177 8.700 812 HG21 ILE 105 1HG2 ILE 105 -14.476 2.016 11.259 813 HG22 ILE 105 2HG2 ILE 105 -13.178 3.100 11.764 814 HG23 ILE 105 3HG2 ILE 105 -12.904 1.941 10.460 815 HD11 ILE 105 1HD1 ILE 105 -11.394 5.741 10.140 816 HD12 ILE 105 2HD1 ILE 105 -11.903 4.498 11.287 817 HD13 ILE 105 3HD1 ILE 105 -12.937 5.897 10.979 818 H ALA 106 H ALA 106 -17.135 3.687 9.153 819 HA ALA 106 HA ALA 106 -18.125 1.814 10.915 820 HB1 ALA 106 1HB ALA 106 -19.268 3.904 10.425 821 HB2 ALA 106 2HB ALA 106 -20.353 2.538 10.175 822 HB3 ALA 106 3HB ALA 106 -19.619 3.344 8.790 823 H MET 107 H MET 107 -17.739 1.700 7.453 824 HA MET 107 HA MET 107 -19.289 -0.719 7.189 825 HB2 MET 107 2HB MET 107 -18.750 1.161 5.360 826 HB3 MET 107 1HB MET 107 -17.393 0.085 5.043 827 HG2 MET 107 2HG MET 107 -18.762 -1.666 4.415 828 HG3 MET 107 1HG MET 107 -20.184 -0.965 5.183 829 HE1 MET 107 1HE MET 107 -17.560 -0.439 2.273 830 HE2 MET 107 2HE MET 107 -17.677 1.137 3.056 831 HE3 MET 107 3HE MET 107 -18.292 0.918 1.420 832 H LYS 108 H LYS 108 -15.849 0.204 7.137 833 HA LYS 108 HA LYS 108 -14.684 -2.202 6.497 834 HB2 LYS 108 2HB LYS 108 -13.471 -0.091 6.705 835 HB3 LYS 108 1HB LYS 108 -13.704 -0.124 8.449 836 HG2 LYS 108 2HG LYS 108 -12.353 -2.137 8.608 837 HG3 LYS 108 1HG LYS 108 -12.145 -2.146 6.853 838 HD2 LYS 108 2HD LYS 108 -10.355 -0.863 7.121 839 HD3 LYS 108 1HD LYS 108 -11.425 0.422 7.684 840 HE2 LYS 108 2HE LYS 108 -9.656 0.039 9.281 841 HE3 LYS 108 1HE LYS 108 -11.209 -0.428 9.973 842 HZ1 LYS 108 1HZ LYS 108 -10.551 -2.536 10.181 843 HZ2 LYS 108 2HZ LYS 108 -8.970 -1.949 9.935 844 HZ3 LYS 108 3HZ LYS 108 -9.855 -2.578 8.635 845 H LYS 109 H LYS 109 -15.677 -1.049 9.672 846 HA LYS 109 HA LYS 109 -14.748 -3.256 11.178 847 HB2 LYS 109 2HB LYS 109 -17.233 -1.658 11.818 848 HB3 LYS 109 1HB LYS 109 -16.179 -2.507 12.941 849 HG2 LYS 109 2HG LYS 109 -15.419 -0.076 11.342 850 HG3 LYS 109 1HG LYS 109 -15.899 -0.081 13.036 851 HD2 LYS 109 2HD LYS 109 -13.951 -1.811 13.271 852 HD3 LYS 109 1HD LYS 109 -13.391 -1.075 11.770 853 HE2 LYS 109 2HE LYS 109 -13.360 1.107 12.801 854 HE3 LYS 109 1HE LYS 109 -14.048 0.449 14.284 855 HZ1 LYS 109 1HZ LYS 109 -11.461 -0.498 13.196 856 HZ2 LYS 109 2HZ LYS 109 -12.082 -0.716 14.758 857 HZ3 LYS 109 3HZ LYS 109 -11.564 0.824 14.258 858 H ARG 110 H ARG 110 -17.927 -2.579 9.793 859 HA ARG 110 HA ARG 110 -19.095 -5.066 10.472 860 HB2 ARG 110 2HB ARG 110 -20.216 -2.863 9.723 861 HB3 ARG 110 1HB ARG 110 -19.842 -3.379 8.087 862 HG2 ARG 110 2HG ARG 110 -21.121 -5.477 8.543 863 HG3 ARG 110 1HG ARG 110 -21.624 -4.755 10.076 864 HD2 ARG 110 2HD ARG 110 -23.377 -4.170 8.700 865 HD3 ARG 110 1HD ARG 110 -22.337 -2.754 8.568 866 HE ARG 110 HE ARG 110 -22.206 -4.911 6.563 867 HH11 ARG 110 1HH1 ARG 110 -22.658 -1.525 7.403 868 HH12 ARG 110 2HH1 ARG 110 -22.793 -1.011 5.748 869 HH21 ARG 110 1HH2 ARG 110 -22.367 -4.224 4.397 870 HH22 ARG 110 2HH2 ARG 110 -22.610 -2.540 4.045 871 H LEU 111 H LEU 111 -17.199 -3.883 7.855 872 HA LEU 111 HA LEU 111 -17.554 -5.909 5.966 873 HB2 LEU 111 2HB LEU 111 -15.714 -3.667 6.454 874 HB3 LEU 111 1HB LEU 111 -15.102 -4.898 5.389 875 HG LEU 111 HG LEU 111 -17.768 -3.686 5.028 876 HD11 LEU 111 1HD1 LEU 111 -16.750 -2.184 3.343 877 HD12 LEU 111 2HD1 LEU 111 -15.162 -2.749 3.863 878 HD13 LEU 111 3HD1 LEU 111 -16.187 -1.849 4.981 879 HD21 LEU 111 1HD2 LEU 111 -15.976 -5.161 3.179 880 HD22 LEU 111 2HD2 LEU 111 -17.428 -4.295 2.675 881 HD23 LEU 111 3HD2 LEU 111 -17.557 -5.655 3.789 882 H ALA 112 H ALA 112 -15.133 -5.567 8.546 883 HA ALA 112 HA ALA 112 -13.785 -7.950 7.706 884 HB1 ALA 112 1HB ALA 112 -12.620 -6.188 8.951 885 HB2 ALA 112 2HB ALA 112 -12.518 -7.746 9.773 886 HB3 ALA 112 3HB ALA 112 -13.638 -6.513 10.355 887 H ASN 113 H ASN 113 -16.633 -7.291 9.297 888 HA ASN 113 HA ASN 113 -16.711 -9.872 10.659 889 HB2 ASN 113 2HB ASN 113 -18.211 -7.301 10.888 890 HB3 ASN 113 1HB ASN 113 -19.048 -8.785 11.341 891 HD21 ASN 113 1HD2 ASN 113 -16.533 -6.554 12.112 892 HD22 ASN 113 2HD2 ASN 113 -16.141 -7.204 13.670 893 H GLU 114 H GLU 114 -17.920 -8.193 7.882 894 HA GLU 114 HA GLU 114 -19.900 -10.251 7.325 895 HB2 GLU 114 2HB GLU 114 -19.402 -7.505 6.301 896 HB3 GLU 114 1HB GLU 114 -20.233 -8.648 5.255 897 HG2 GLU 114 2HG GLU 114 -21.860 -9.039 7.102 898 HG3 GLU 114 1HG GLU 114 -21.080 -7.732 7.988 899 H ALA 115 H ALA 115 -16.846 -8.959 5.989 900 HA ALA 115 HA ALA 115 -17.021 -10.626 3.631 901 HB1 ALA 115 1HB ALA 115 -15.668 -8.571 3.650 902 HB2 ALA 115 2HB ALA 115 -14.702 -9.985 3.230 903 HB3 ALA 115 3HB ALA 115 -14.598 -9.299 4.851 904 H LYS 116 H LYS 116 -16.430 -11.112 6.820 905 HA LYS 116 HA LYS 116 -14.686 -13.408 6.566 906 HB2 LYS 116 2HB LYS 116 -14.346 -13.158 8.825 907 HB3 LYS 116 1HB LYS 116 -14.781 -11.514 8.393 908 HG2 LYS 116 2HG LYS 116 -16.385 -11.559 9.905 909 HG3 LYS 116 1HG LYS 116 -17.184 -12.844 8.998 910 HD2 LYS 116 2HD LYS 116 -15.011 -13.935 10.513 911 HD3 LYS 116 1HD LYS 116 -16.056 -12.981 11.568 912 HE2 LYS 116 2HE LYS 116 -17.913 -14.301 11.133 913 HE3 LYS 116 1HE LYS 116 -17.244 -14.921 9.623 914 HZ1 LYS 116 1HZ LYS 116 -16.395 -15.652 12.380 915 HZ2 LYS 116 2HZ LYS 116 -15.607 -16.165 10.967 916 HZ3 LYS 116 3HZ LYS 116 -17.209 -16.634 11.259 917 H GLU 117 H GLU 117 -17.934 -12.760 6.273 918 HA GLU 117 HA GLU 117 -19.010 -15.083 7.596 919 HB2 GLU 117 2HB GLU 117 -20.263 -13.136 5.651 920 HB3 GLU 117 1HB GLU 117 -21.141 -14.365 6.553 921 HG2 GLU 117 2HG GLU 117 -19.501 -12.265 7.926 922 HG3 GLU 117 1HG GLU 117 -21.170 -11.974 7.435 923 H ALA 118 H ALA 118 -16.985 -15.339 5.372 924 HA ALA 118 HA ALA 118 -18.561 -16.946 3.489 925 HB1 ALA 118 1HB ALA 118 -15.729 -15.945 3.210 926 HB2 ALA 118 2HB ALA 118 -17.156 -15.195 2.493 927 HB3 ALA 118 3HB ALA 118 -16.658 -16.810 1.984 928 H LYS 119 H LYS 119 -16.801 -17.270 6.256 929 HA LYS 119 HA LYS 119 -15.699 -19.883 5.497 930 HB2 LYS 119 2HB LYS 119 -14.942 -17.839 7.490 931 HB3 LYS 119 1HB LYS 119 -14.781 -19.511 8.012 932 HG2 LYS 119 2HG LYS 119 -13.292 -20.005 6.222 933 HG3 LYS 119 1HG LYS 119 -13.591 -18.437 5.469 934 HD2 LYS 119 2HD LYS 119 -12.520 -17.302 7.307 935 HD3 LYS 119 1HD LYS 119 -12.336 -18.821 8.185 936 HE2 LYS 119 2HE LYS 119 -11.152 -18.489 5.454 937 HE3 LYS 119 1HE LYS 119 -10.320 -17.845 6.869 938 HZ1 LYS 119 1HZ LYS 119 -10.424 -20.518 5.936 939 HZ2 LYS 119 2HZ LYS 119 -11.055 -20.444 7.508 940 HZ3 LYS 119 3HZ LYS 119 -9.493 -19.864 7.191 941 H LYS 120 H LYS 120 -16.206 -21.725 6.582 942 HA LYS 120 HA LYS 120 -17.541 -23.239 7.590 943 HB2 LYS 120 2HB LYS 120 -16.640 -21.744 9.571 944 HB3 LYS 120 1HB LYS 120 -18.329 -21.272 9.698 945 HG2 LYS 120 2HG LYS 120 -17.790 -23.109 11.215 946 HG3 LYS 120 1HG LYS 120 -18.977 -23.597 10.001 947 HD2 LYS 120 2HD LYS 120 -17.186 -24.643 8.688 948 HD3 LYS 120 1HD LYS 120 -16.017 -24.176 9.922 949 HE2 LYS 120 2HE LYS 120 -16.492 -26.388 10.451 950 HE3 LYS 120 1HE LYS 120 -17.534 -25.482 11.544 951 HZ1 LYS 120 1HZ LYS 120 -18.573 -27.423 10.338 952 HZ2 LYS 120 2HZ LYS 120 -18.485 -26.496 8.925 953 HZ3 LYS 120 3HZ LYS 120 -19.415 -25.954 10.235 Start of MODEL 6 1 H MET 1 1HT MET 1 -11.342 24.287 5.161 2 HA MET 1 HA MET 1 -9.500 23.570 2.963 3 HB2 MET 1 2HB MET 1 -9.567 22.789 5.889 4 HB3 MET 1 1HB MET 1 -8.437 22.154 4.698 5 HG2 MET 1 2HG MET 1 -7.541 24.415 4.368 6 HG3 MET 1 1HG MET 1 -8.654 25.025 5.590 7 HE1 MET 1 1HE MET 1 -5.001 22.323 6.344 8 HE2 MET 1 2HE MET 1 -5.413 23.088 4.810 9 HE3 MET 1 3HE MET 1 -6.386 21.745 5.414 10 H VAL 2 H VAL 2 -9.795 21.650 1.964 11 HA VAL 2 HA VAL 2 -12.172 20.126 2.796 12 HB VAL 2 HB VAL 2 -11.940 19.203 0.342 13 HG11 VAL 2 1HG1 VAL 2 -13.887 20.372 1.171 14 HG12 VAL 2 2HG1 VAL 2 -13.471 20.983 -0.429 15 HG13 VAL 2 3HG1 VAL 2 -13.068 21.923 1.008 16 HG21 VAL 2 1HG2 VAL 2 -11.154 20.911 -1.234 17 HG22 VAL 2 2HG2 VAL 2 -9.856 20.352 -0.183 18 HG23 VAL 2 3HG2 VAL 2 -10.619 21.911 0.119 19 H ASP 3 H ASP 3 -11.898 18.144 3.534 20 HA ASP 3 HA ASP 3 -9.237 17.033 3.646 21 HB2 ASP 3 2HB ASP 3 -10.220 15.372 5.163 22 HB3 ASP 3 1HB ASP 3 -10.655 17.010 5.642 23 H LEU 4 H LEU 4 -10.668 17.055 1.048 24 HA LEU 4 HA LEU 4 -11.286 14.316 0.475 25 HB2 LEU 4 2HB LEU 4 -11.536 15.054 -1.848 26 HB3 LEU 4 1HB LEU 4 -12.456 16.053 -0.741 27 HG LEU 4 HG LEU 4 -10.191 17.521 -0.917 28 HD11 LEU 4 1HD1 LEU 4 -9.510 17.588 -3.275 29 HD12 LEU 4 2HD1 LEU 4 -10.541 16.197 -3.608 30 HD13 LEU 4 3HD1 LEU 4 -9.151 16.027 -2.538 31 HD21 LEU 4 1HD2 LEU 4 -11.425 18.924 -2.490 32 HD22 LEU 4 2HD2 LEU 4 -12.476 18.316 -1.213 33 HD23 LEU 4 3HD2 LEU 4 -12.529 17.591 -2.817 34 H GLU 5 H GLU 5 -8.464 16.129 0.738 35 HA GLU 5 HA GLU 5 -6.919 13.875 -0.206 36 HB2 GLU 5 2HB GLU 5 -5.431 15.275 -1.604 37 HB3 GLU 5 1HB GLU 5 -7.061 15.148 -2.244 38 HG2 GLU 5 2HG GLU 5 -7.536 17.375 -1.206 39 HG3 GLU 5 1HG GLU 5 -5.813 17.490 -0.839 40 H GLN 6 H GLN 6 -7.541 15.329 2.309 41 HA GLN 6 HA GLN 6 -4.887 16.306 3.081 42 HB2 GLN 6 2HB GLN 6 -7.624 16.547 4.288 43 HB3 GLN 6 1HB GLN 6 -6.195 16.823 5.277 44 HG2 GLN 6 2HG GLN 6 -5.488 18.612 3.818 45 HG3 GLN 6 1HG GLN 6 -6.833 18.290 2.727 46 HE21 GLN 6 1HE2 GLN 6 -7.130 18.172 6.218 47 HE22 GLN 6 2HE2 GLN 6 -8.124 19.577 6.361 48 H GLU 7 H GLU 7 -7.213 13.779 3.742 49 HA GLU 7 HA GLU 7 -5.523 12.596 5.806 50 HB2 GLU 7 2HB GLU 7 -8.080 11.426 4.756 51 HB3 GLU 7 1HB GLU 7 -7.356 11.252 6.353 52 HG2 GLU 7 2HG GLU 7 -8.399 13.845 5.270 53 HG3 GLU 7 1HG GLU 7 -9.350 12.743 6.267 54 H PHE 8 H PHE 8 -5.380 12.749 2.701 55 HA PHE 8 HA PHE 8 -4.378 10.024 2.296 56 HB2 PHE 8 2HB PHE 8 -5.297 11.653 -0.037 57 HB3 PHE 8 1HB PHE 8 -5.250 9.906 0.140 58 HD1 PHE 8 1HD PHE 8 -7.274 8.794 0.282 59 HD2 PHE 8 2HD PHE 8 -7.042 12.856 1.538 60 HE1 PHE 8 1HE PHE 8 -9.716 8.838 0.612 61 HE2 PHE 8 2HE PHE 8 -9.467 12.895 1.876 62 HZ PHE 8 HZ PHE 8 -10.805 10.908 1.410 63 H ALA 9 H ALA 9 -2.796 11.623 3.420 64 HA ALA 9 HA ALA 9 -1.037 12.650 1.401 65 HB1 ALA 9 1HB ALA 9 -0.824 14.803 2.522 66 HB2 ALA 9 2HB ALA 9 -2.042 14.320 3.700 67 HB3 ALA 9 3HB ALA 9 -2.488 14.532 2.009 68 H LEU 10 H LEU 10 0.644 13.915 3.103 69 HA LEU 10 HA LEU 10 2.343 11.896 3.933 70 HB2 LEU 10 2HB LEU 10 2.141 14.789 4.682 71 HB3 LEU 10 1HB LEU 10 3.476 13.765 5.175 72 HG LEU 10 HG LEU 10 3.597 13.338 2.529 73 HD11 LEU 10 1HD1 LEU 10 2.506 16.141 2.779 74 HD12 LEU 10 2HD1 LEU 10 1.657 14.769 2.068 75 HD13 LEU 10 3HD1 LEU 10 3.127 15.384 1.312 76 HD21 LEU 10 1HD2 LEU 10 4.733 15.759 3.934 77 HD22 LEU 10 2HD2 LEU 10 5.337 15.051 2.436 78 HD23 LEU 10 3HD2 LEU 10 5.423 14.137 3.941 79 H GLY 11 H GLY 11 1.992 10.451 5.521 80 HA2 GLY 11 2HA GLY 11 1.589 9.620 7.622 81 HA3 GLY 11 1HA GLY 11 1.768 11.260 8.227 82 H GLY 12 H GLY 12 -0.566 10.551 5.790 83 HA2 GLY 12 2HA GLY 12 -2.683 11.413 7.558 84 HA3 GLY 12 1HA GLY 12 -2.824 11.078 5.839 85 H ARG 13 H ARG 13 -4.447 10.275 8.178 86 HA ARG 13 HA ARG 13 -4.092 7.421 8.382 87 HB2 ARG 13 2HB ARG 13 -6.100 7.492 9.807 88 HB3 ARG 13 1HB ARG 13 -4.895 8.661 10.332 89 HG2 ARG 13 2HG ARG 13 -6.679 9.872 8.446 90 HG3 ARG 13 1HG ARG 13 -7.592 9.114 9.752 91 HD2 ARG 13 2HD ARG 13 -6.887 11.542 10.090 92 HD3 ARG 13 1HD ARG 13 -6.538 10.413 11.400 93 HE ARG 13 HE ARG 13 -4.231 10.444 10.765 94 HH11 ARG 13 1HH1 ARG 13 -6.218 12.808 9.090 95 HH12 ARG 13 2HH1 ARG 13 -4.858 13.801 8.646 96 HH21 ARG 13 1HH2 ARG 13 -2.468 11.733 10.149 97 HH22 ARG 13 2HH2 ARG 13 -2.735 13.199 9.251 98 H CYS 14 H CYS 14 -4.885 6.030 6.968 99 HA CYS 14 HA CYS 14 -7.329 6.710 5.530 100 HB2 CYS 14 2HB CYS 14 -6.334 6.101 3.393 101 HB3 CYS 14 1HB CYS 14 -5.441 7.430 4.129 102 HG CYS 14 HG CYS 14 -3.780 5.062 5.271 103 H LEU 15 H LEU 15 -8.199 4.946 4.324 104 HA LEU 15 HA LEU 15 -7.547 2.293 5.424 105 HB2 LEU 15 2HB LEU 15 -10.173 3.602 4.807 106 HB3 LEU 15 1HB LEU 15 -10.024 1.866 4.616 107 HG LEU 15 HG LEU 15 -9.615 3.429 7.166 108 HD11 LEU 15 1HD1 LEU 15 -11.721 1.461 6.301 109 HD12 LEU 15 2HD1 LEU 15 -11.942 3.184 6.610 110 HD13 LEU 15 3HD1 LEU 15 -11.543 2.093 7.938 111 HD21 LEU 15 1HD2 LEU 15 -8.051 1.555 7.015 112 HD22 LEU 15 2HD2 LEU 15 -9.401 0.464 6.693 113 HD23 LEU 15 3HD2 LEU 15 -9.285 1.288 8.249 114 H ALA 16 H ALA 16 -7.262 0.667 3.816 115 HA ALA 16 HA ALA 16 -7.550 1.683 1.075 116 HB1 ALA 16 1HB ALA 16 -5.226 2.006 1.700 117 HB2 ALA 16 2HB ALA 16 -5.378 0.774 0.450 118 HB3 ALA 16 3HB ALA 16 -5.087 0.297 2.122 119 H PHE 17 H PHE 17 -8.199 0.278 -0.412 120 HA PHE 17 HA PHE 17 -9.320 -2.169 0.608 121 HB2 PHE 17 2HB PHE 17 -9.586 -0.574 -1.876 122 HB3 PHE 17 1HB PHE 17 -9.889 -2.302 -2.014 123 HD1 PHE 17 1HD PHE 17 -11.679 -3.344 -0.643 124 HD2 PHE 17 2HD PHE 17 -11.123 0.871 -0.822 125 HE1 PHE 17 1HE PHE 17 -13.953 -3.009 0.244 126 HE2 PHE 17 2HE PHE 17 -13.392 1.213 0.054 127 HZ PHE 17 HZ PHE 17 -14.811 -0.734 0.592 128 H HIS 18 H HIS 18 -7.912 -3.675 0.994 129 HA HIS 18 HA HIS 18 -5.983 -4.440 -1.087 130 HB2 HIS 18 2HB HIS 18 -5.074 -4.029 1.207 131 HB3 HIS 18 1HB HIS 18 -6.127 -5.295 1.824 132 HD2 HIS 18 2HD HIS 18 -3.013 -4.962 -0.550 133 HE1 HIS 18 1HE HIS 18 -3.264 -8.910 0.948 134 HE2 HIS 18 2HE HIS 18 -1.779 -7.222 -0.225 135 H GLY 19 H GLY 19 -7.040 -5.733 -2.450 136 HA2 GLY 19 2HA GLY 19 -8.090 -7.642 -3.195 137 HA3 GLY 19 1HA GLY 19 -8.026 -8.253 -1.543 138 HA PRO 20 HA PRO 20 -12.363 -7.195 -1.643 139 HB2 PRO 20 2HB PRO 20 -13.101 -8.877 0.333 140 HB3 PRO 20 1HB PRO 20 -12.717 -9.425 -1.300 141 HG2 PRO 20 2HG PRO 20 -11.222 -9.804 1.182 142 HG3 PRO 20 1HG PRO 20 -11.046 -10.646 -0.368 143 HD2 PRO 20 2HD PRO 20 -9.473 -8.448 0.709 144 HD3 PRO 20 1HD PRO 20 -9.175 -9.428 -0.742 145 H LEU 21 H LEU 21 -10.201 -6.532 1.000 146 HA LEU 21 HA LEU 21 -12.434 -5.128 2.301 147 HB2 LEU 21 2HB LEU 21 -10.445 -6.967 3.480 148 HB3 LEU 21 1HB LEU 21 -10.977 -5.600 4.446 149 HG LEU 21 HG LEU 21 -12.667 -7.803 3.304 150 HD11 LEU 21 1HD1 LEU 21 -11.526 -8.324 5.393 151 HD12 LEU 21 2HD1 LEU 21 -13.265 -8.158 5.649 152 HD13 LEU 21 3HD1 LEU 21 -12.174 -6.856 6.124 153 HD21 LEU 21 1HD2 LEU 21 -13.513 -5.235 4.631 154 HD22 LEU 21 2HD2 LEU 21 -14.571 -6.615 4.338 155 HD23 LEU 21 3HD2 LEU 21 -13.862 -5.742 2.978 156 H MET 22 H MET 22 -11.819 -3.594 3.911 157 HA MET 22 HA MET 22 -9.845 -1.729 2.897 158 HB2 MET 22 2HB MET 22 -12.419 -1.521 4.208 159 HB3 MET 22 1HB MET 22 -11.206 -0.665 5.160 160 HG2 MET 22 2HG MET 22 -10.543 0.594 3.152 161 HG3 MET 22 1HG MET 22 -11.806 -0.225 2.239 162 HE1 MET 22 1HE MET 22 -15.073 1.146 3.859 163 HE2 MET 22 2HE MET 22 -14.239 -0.365 4.212 164 HE3 MET 22 3HE MET 22 -14.382 0.192 2.545 165 H TYR 23 H TYR 23 -7.880 -1.724 3.788 166 HA TYR 23 HA TYR 23 -7.612 -2.769 6.528 167 HB2 TYR 23 2HB TYR 23 -5.837 -2.887 4.129 168 HB3 TYR 23 1HB TYR 23 -5.090 -2.862 5.725 169 HD1 TYR 23 1HD TYR 23 -6.314 -4.950 3.213 170 HD2 TYR 23 2HD TYR 23 -6.237 -4.552 7.447 171 HE1 TYR 23 1HE TYR 23 -6.766 -7.356 3.437 172 HE2 TYR 23 2HE TYR 23 -6.680 -6.956 7.689 173 HH TYR 23 HH TYR 23 -6.278 -9.152 5.300 174 H GLU 24 H GLU 24 -6.749 -1.583 8.077 175 HA GLU 24 HA GLU 24 -6.628 1.219 7.862 176 HB2 GLU 24 2HB GLU 24 -6.769 -0.575 9.907 177 HB3 GLU 24 1HB GLU 24 -5.093 -0.066 10.040 178 HG2 GLU 24 2HG GLU 24 -5.685 2.162 10.423 179 HG3 GLU 24 1HG GLU 24 -7.345 1.896 9.892 180 H ALA 25 H ALA 25 -4.972 2.570 7.249 181 HA ALA 25 HA ALA 25 -2.252 1.562 7.448 182 HB1 ALA 25 1HB ALA 25 -1.730 1.912 5.115 183 HB2 ALA 25 2HB ALA 25 -3.397 2.379 4.785 184 HB3 ALA 25 3HB ALA 25 -3.026 0.730 5.287 185 H LYS 26 H LYS 26 -0.692 3.092 7.436 186 HA LYS 26 HA LYS 26 -1.584 5.900 7.546 187 HB2 LYS 26 2HB LYS 26 -0.588 4.950 9.619 188 HB3 LYS 26 1HB LYS 26 0.887 4.608 8.726 189 HG2 LYS 26 2HG LYS 26 1.203 6.997 8.328 190 HG3 LYS 26 1HG LYS 26 -0.281 7.338 9.227 191 HD2 LYS 26 2HD LYS 26 0.661 6.531 11.248 192 HD3 LYS 26 1HD LYS 26 2.042 5.832 10.402 193 HE2 LYS 26 2HE LYS 26 2.761 8.110 9.767 194 HE3 LYS 26 1HE LYS 26 1.418 8.766 10.708 195 HZ1 LYS 26 1HZ LYS 26 3.816 7.336 11.672 196 HZ2 LYS 26 2HZ LYS 26 2.419 7.435 12.621 197 HZ3 LYS 26 3HZ LYS 26 3.220 8.853 12.154 198 H ILE 27 H ILE 27 -1.001 7.119 5.891 199 HA ILE 27 HA ILE 27 0.665 6.099 3.825 200 HB ILE 27 HB ILE 27 -0.334 8.920 4.188 201 HG12 ILE 27 2HG1 ILE 27 -1.563 6.916 2.345 202 HG13 ILE 27 1HG1 ILE 27 -1.982 6.883 4.054 203 HG21 ILE 27 1HG2 ILE 27 1.525 8.694 2.600 204 HG22 ILE 27 2HG2 ILE 27 0.017 9.121 1.794 205 HG23 ILE 27 3HG2 ILE 27 0.613 7.466 1.724 206 HD11 ILE 27 1HD1 ILE 27 -3.594 8.153 2.755 207 HD12 ILE 27 2HD1 ILE 27 -2.317 9.243 2.216 208 HD13 ILE 27 3HD1 ILE 27 -2.762 9.178 3.922 209 H LEU 28 H LEU 28 2.723 6.165 3.595 210 HA LEU 28 HA LEU 28 4.303 7.901 5.339 211 HB2 LEU 28 2HB LEU 28 4.510 5.220 4.817 212 HB3 LEU 28 1HB LEU 28 5.693 5.895 3.709 213 HG LEU 28 HG LEU 28 6.300 7.211 6.002 214 HD11 LEU 28 1HD1 LEU 28 5.457 4.430 6.796 215 HD12 LEU 28 2HD1 LEU 28 4.736 5.944 7.341 216 HD13 LEU 28 3HD1 LEU 28 6.391 5.542 7.799 217 HD21 LEU 28 1HD2 LEU 28 7.391 4.562 5.060 218 HD22 LEU 28 2HD2 LEU 28 8.216 5.693 6.133 219 HD23 LEU 28 3HD2 LEU 28 7.865 6.152 4.467 220 H LYS 29 H LYS 29 3.645 7.180 1.961 221 HA LYS 29 HA LYS 29 5.265 9.535 1.273 222 HB2 LYS 29 2HB LYS 29 5.307 7.054 -0.458 223 HB3 LYS 29 1HB LYS 29 6.344 8.468 -0.561 224 HG2 LYS 29 2HG LYS 29 7.471 7.867 1.460 225 HG3 LYS 29 1HG LYS 29 6.353 6.532 1.736 226 HD2 LYS 29 2HD LYS 29 7.162 5.426 -0.289 227 HD3 LYS 29 1HD LYS 29 8.255 6.780 -0.594 228 HE2 LYS 29 2HE LYS 29 9.518 6.309 1.358 229 HE3 LYS 29 1HE LYS 29 8.324 5.146 1.929 230 HZ1 LYS 29 1HZ LYS 29 10.357 4.145 0.957 231 HZ2 LYS 29 2HZ LYS 29 9.925 4.795 -0.556 232 HZ3 LYS 29 3HZ LYS 29 8.930 3.651 0.195 233 H ILE 30 H ILE 30 4.462 10.763 -0.397 234 HA ILE 30 HA ILE 30 1.804 10.016 -1.446 235 HB ILE 30 HB ILE 30 3.118 12.749 -1.373 236 HG12 ILE 30 2HG1 ILE 30 2.684 12.148 0.875 237 HG13 ILE 30 1HG1 ILE 30 1.363 13.207 0.385 238 HG21 ILE 30 1HG2 ILE 30 0.305 11.931 -2.042 239 HG22 ILE 30 2HG2 ILE 30 1.516 12.548 -3.168 240 HG23 ILE 30 3HG2 ILE 30 0.884 13.593 -1.899 241 HD11 ILE 30 1HD1 ILE 30 -0.053 11.269 0.021 242 HD12 ILE 30 2HD1 ILE 30 0.561 11.324 1.672 243 HD13 ILE 30 3HD1 ILE 30 1.270 10.210 0.504 244 H TRP 31 H TRP 31 1.457 9.899 -3.668 245 HA TRP 31 HA TRP 31 3.914 10.220 -5.259 246 HB2 TRP 31 2HB TRP 31 3.229 7.921 -5.209 247 HB3 TRP 31 1HB TRP 31 1.585 8.361 -5.677 248 HD1 TRP 31 HD TRP 31 1.117 8.652 -8.216 249 HE1 TRP 31 1HE TRP 31 2.542 8.387 -10.362 250 HE3 TRP 31 3HE TRP 31 5.653 8.443 -6.028 251 HZ2 TRP 31 2HZ TRP 31 5.269 8.131 -10.984 252 HZ3 TRP 31 3HZ TRP 31 7.649 8.222 -7.447 253 HH2 TRP 31 HH TRP 31 7.453 8.074 -9.877 254 H ASP 32 H ASP 32 3.935 11.643 -6.825 255 HA ASP 32 HA ASP 32 1.386 12.735 -7.821 256 HB2 ASP 32 2HB ASP 32 2.699 14.452 -6.714 257 HB3 ASP 32 1HB ASP 32 4.122 14.023 -7.663 258 HA PRO 33 HA PRO 33 2.747 10.532 -11.531 259 HB2 PRO 33 2HB PRO 33 0.417 10.776 -12.861 260 HB3 PRO 33 1HB PRO 33 0.626 9.634 -11.529 261 HG2 PRO 33 2HG PRO 33 -0.634 12.352 -11.505 262 HG3 PRO 33 1HG PRO 33 -1.213 10.848 -10.764 263 HD2 PRO 33 2HD PRO 33 0.079 12.778 -9.355 264 HD3 PRO 33 1HD PRO 33 0.198 11.052 -8.952 265 H SER 34 H SER 34 2.294 13.749 -11.065 266 HA SER 34 HA SER 34 2.273 14.529 -13.868 267 HB2 SER 34 2HB SER 34 2.706 16.599 -11.804 268 HB3 SER 34 1HB SER 34 1.580 16.570 -13.163 269 HG SER 34 HG SER 34 1.228 15.757 -10.542 270 H SER 35 H SER 35 4.502 13.990 -11.331 271 HA SER 35 HA SER 35 6.656 15.171 -12.955 272 HB2 SER 35 2HB SER 35 6.922 14.818 -9.988 273 HB3 SER 35 1HB SER 35 7.723 15.977 -11.048 274 HG SER 35 HG SER 35 5.007 16.005 -10.177 275 H LYS 36 H LYS 36 5.511 12.550 -11.006 276 HA LYS 36 HA LYS 36 5.958 10.361 -11.014 277 HB2 LYS 36 2HB LYS 36 6.785 10.637 -13.421 278 HB3 LYS 36 1HB LYS 36 8.404 10.686 -12.714 279 HG2 LYS 36 2HG LYS 36 7.702 8.562 -11.480 280 HG3 LYS 36 1HG LYS 36 6.391 8.483 -12.655 281 HD2 LYS 36 2HD LYS 36 8.042 8.431 -14.474 282 HD3 LYS 36 1HD LYS 36 9.350 8.508 -13.290 283 HE2 LYS 36 2HE LYS 36 8.381 6.408 -12.273 284 HE3 LYS 36 1HE LYS 36 7.355 6.298 -13.697 285 HZ1 LYS 36 1HZ LYS 36 9.558 6.434 -14.984 286 HZ2 LYS 36 2HZ LYS 36 9.147 4.972 -14.229 287 HZ3 LYS 36 3HZ LYS 36 10.281 6.008 -13.510 288 H MET 37 H MET 37 6.700 12.251 -9.332 289 HA MET 37 HA MET 37 8.996 11.141 -7.980 290 HB2 MET 37 2HB MET 37 7.898 13.974 -7.983 291 HB3 MET 37 1HB MET 37 9.175 13.405 -6.917 292 HG2 MET 37 2HG MET 37 10.710 13.221 -8.654 293 HG3 MET 37 1HG MET 37 9.451 13.218 -9.887 294 HE1 MET 37 1HE MET 37 12.295 15.024 -9.461 295 HE2 MET 37 2HE MET 37 11.781 16.515 -10.248 296 HE3 MET 37 3HE MET 37 11.413 14.958 -10.987 297 H TYR 38 H TYR 38 8.574 11.571 -5.557 298 HA TYR 38 HA TYR 38 5.769 11.457 -4.890 299 HB2 TYR 38 2HB TYR 38 6.012 9.386 -3.595 300 HB3 TYR 38 1HB TYR 38 6.319 9.110 -5.302 301 HD1 TYR 38 1HD TYR 38 7.611 8.859 -1.968 302 HD2 TYR 38 2HD TYR 38 8.707 8.857 -6.077 303 HE1 TYR 38 1HE TYR 38 9.736 7.778 -1.388 304 HE2 TYR 38 2HE TYR 38 10.841 7.777 -5.511 305 HH TYR 38 HH TYR 38 11.407 6.241 -2.671 306 H THR 39 H THR 39 5.517 11.798 -2.519 307 HA THR 39 HA THR 39 7.989 12.975 -1.437 308 HB THR 39 HB THR 39 6.764 14.617 -0.298 309 HG1 THR 39 1HG THR 39 4.605 14.581 0.001 310 HG21 THR 39 1HG2 THR 39 5.605 14.350 -3.060 311 HG22 THR 39 2HG2 THR 39 7.148 15.099 -2.646 312 HG23 THR 39 3HG2 THR 39 5.639 15.830 -2.098 313 H SER 40 H SER 40 8.827 11.722 -0.055 314 HA SER 40 HA SER 40 7.240 9.804 1.447 315 HB2 SER 40 2HB SER 40 9.239 9.027 0.215 316 HB3 SER 40 1HB SER 40 10.246 10.105 1.178 317 HG SER 40 HG SER 40 9.681 8.907 3.017 318 H ILE 41 H ILE 41 7.754 9.431 3.714 319 HA ILE 41 HA ILE 41 8.817 11.799 5.085 320 HB ILE 41 HB ILE 41 7.170 11.665 6.802 321 HG12 ILE 41 2HG1 ILE 41 5.555 9.523 5.549 322 HG13 ILE 41 1HG1 ILE 41 7.021 9.027 6.390 323 HG21 ILE 41 1HG2 ILE 41 6.458 12.917 4.894 324 HG22 ILE 41 2HG2 ILE 41 5.077 12.096 5.619 325 HG23 ILE 41 3HG2 ILE 41 5.806 11.461 4.140 326 HD11 ILE 41 1HD1 ILE 41 5.043 8.921 7.820 327 HD12 ILE 41 2HD1 ILE 41 4.790 10.651 7.599 328 HD13 ILE 41 3HD1 ILE 41 6.232 10.071 8.432 329 HA PRO 42 HA PRO 42 11.692 9.114 7.112 330 HB2 PRO 42 2HB PRO 42 10.923 10.143 9.715 331 HB3 PRO 42 1HB PRO 42 12.410 10.424 8.812 332 HG2 PRO 42 2HG PRO 42 10.070 12.132 9.081 333 HG3 PRO 42 1HG PRO 42 11.677 12.528 8.454 334 HD2 PRO 42 2HD PRO 42 9.431 12.377 6.899 335 HD3 PRO 42 1HD PRO 42 11.076 12.086 6.294 336 H ASN 43 H ASN 43 11.400 7.034 7.583 337 HA ASN 43 HA ASN 43 9.009 5.741 7.934 338 HB2 ASN 43 2HB ASN 43 11.242 4.752 7.302 339 HB3 ASN 43 1HB ASN 43 11.634 4.725 9.018 340 HD21 ASN 43 1HD2 ASN 43 9.790 3.293 6.485 341 HD22 ASN 43 2HD2 ASN 43 9.181 1.953 7.388 342 H ASP 44 H ASP 44 7.815 6.894 9.488 343 HA ASP 44 HA ASP 44 6.999 7.481 11.526 344 HB2 ASP 44 2HB ASP 44 7.059 4.683 11.215 345 HB3 ASP 44 1HB ASP 44 7.439 5.019 12.904 346 H LYS 45 H LYS 45 9.812 8.107 11.326 347 HA LYS 45 HA LYS 45 10.550 7.826 14.158 348 HB2 LYS 45 2HB LYS 45 12.927 8.173 13.378 349 HB3 LYS 45 1HB LYS 45 12.192 6.648 12.916 350 HG2 LYS 45 2HG LYS 45 11.707 7.659 10.680 351 HG3 LYS 45 1HG LYS 45 12.673 9.051 11.176 352 HD2 LYS 45 2HD LYS 45 13.614 6.193 10.960 353 HD3 LYS 45 1HD LYS 45 14.014 7.518 9.869 354 HE2 LYS 45 2HE LYS 45 15.759 8.021 11.147 355 HE3 LYS 45 1HE LYS 45 14.663 8.367 12.482 356 HZ1 LYS 45 1HZ LYS 45 14.929 6.267 13.367 357 HZ2 LYS 45 2HZ LYS 45 16.489 6.608 12.798 358 HZ3 LYS 45 3HZ LYS 45 15.466 5.589 11.907 359 HA PRO 46 HA PRO 46 9.953 12.274 13.834 360 HB2 PRO 46 2HB PRO 46 9.626 12.239 16.706 361 HB3 PRO 46 1HB PRO 46 8.403 12.534 15.468 362 HG2 PRO 46 2HG PRO 46 8.436 10.318 17.071 363 HG3 PRO 46 1HG PRO 46 7.706 10.361 15.456 364 HD2 PRO 46 2HD PRO 46 10.374 9.288 16.301 365 HD3 PRO 46 1HD PRO 46 9.204 8.618 15.145 366 H GLY 47 H GLY 47 12.204 10.352 15.503 367 HA2 GLY 47 2HA GLY 47 13.797 12.717 16.246 368 HA3 GLY 47 1HA GLY 47 13.918 11.146 17.028 369 H GLY 48 H GLY 48 14.852 13.090 14.340 370 HA2 GLY 48 2HA GLY 48 16.762 10.973 13.570 371 HA3 GLY 48 1HA GLY 48 15.925 11.944 12.364 372 H SER 49 H SER 49 18.234 12.360 11.740 373 HA SER 49 HA SER 49 19.644 14.207 13.475 374 HB2 SER 49 2HB SER 49 21.068 12.649 12.371 375 HB3 SER 49 1HB SER 49 20.301 12.938 10.812 376 HG SER 49 HG SER 49 22.457 14.074 11.690 377 H SER 50 H SER 50 20.019 16.372 13.014 378 HA SER 50 HA SER 50 17.967 17.752 11.641 379 HB2 SER 50 2HB SER 50 20.610 18.632 12.798 380 HB3 SER 50 1HB SER 50 19.506 19.759 12.014 381 HG SER 50 HG SER 50 18.174 19.647 13.656 382 H GLN 51 H GLN 51 20.552 16.091 10.344 383 HA GLN 51 HA GLN 51 20.408 17.735 7.904 384 HB2 GLN 51 2HB GLN 51 22.750 17.299 7.441 385 HB3 GLN 51 1HB GLN 51 22.589 18.060 9.020 386 HG2 GLN 51 2HG GLN 51 23.010 16.014 10.143 387 HG3 GLN 51 1HG GLN 51 22.851 15.089 8.649 388 HE21 GLN 51 1HE2 GLN 51 24.499 15.158 7.130 389 HE22 GLN 51 2HE2 GLN 51 26.100 15.678 7.539 390 H ALA 52 H ALA 52 19.320 15.013 9.088 391 HA ALA 52 HA ALA 52 19.721 13.555 6.563 392 HB1 ALA 52 1HB ALA 52 19.744 12.281 9.292 393 HB2 ALA 52 2HB ALA 52 21.155 12.557 8.275 394 HB3 ALA 52 3HB ALA 52 19.893 11.447 7.748 395 H THR 53 H THR 53 17.868 13.176 5.589 396 HA THR 53 HA THR 53 15.665 12.843 5.154 397 HB THR 53 HB THR 53 15.110 11.674 7.832 398 HG1 THR 53 1HG THR 53 17.117 10.812 7.603 399 HG21 THR 53 1HG2 THR 53 14.648 10.743 4.994 400 HG22 THR 53 2HG2 THR 53 13.466 11.545 6.029 401 HG23 THR 53 3HG2 THR 53 14.057 9.935 6.445 402 H LYS 54 H LYS 54 16.448 15.328 6.473 403 HA LYS 54 HA LYS 54 14.089 15.965 8.072 404 HB2 LYS 54 2HB LYS 54 15.342 18.213 8.301 405 HB3 LYS 54 1HB LYS 54 15.977 16.809 9.148 406 HG2 LYS 54 2HG LYS 54 17.930 17.339 8.228 407 HG3 LYS 54 1HG LYS 54 17.268 16.694 6.725 408 HD2 LYS 54 2HD LYS 54 16.585 18.871 6.010 409 HD3 LYS 54 1HD LYS 54 16.974 19.568 7.587 410 HE2 LYS 54 2HE LYS 54 19.335 19.079 7.228 411 HE3 LYS 54 1HE LYS 54 18.955 18.336 5.677 412 HZ1 LYS 54 1HZ LYS 54 18.361 21.170 6.329 413 HZ2 LYS 54 2HZ LYS 54 18.281 20.425 4.800 414 HZ3 LYS 54 3HZ LYS 54 19.783 20.664 5.558 415 H GLU 55 H GLU 55 15.123 16.105 4.888 416 HA GLU 55 HA GLU 55 12.968 17.974 4.260 417 HB2 GLU 55 2HB GLU 55 14.473 18.930 2.425 418 HB3 GLU 55 1HB GLU 55 14.811 19.427 4.077 419 HG2 GLU 55 2HG GLU 55 16.651 17.881 4.211 420 HG3 GLU 55 1HG GLU 55 16.281 17.253 2.605 421 H ILE 56 H ILE 56 11.569 16.770 3.188 422 HA ILE 56 HA ILE 56 12.598 14.807 1.253 423 HB ILE 56 HB ILE 56 9.791 14.949 2.306 424 HG12 ILE 56 2HG1 ILE 56 11.399 14.520 4.157 425 HG13 ILE 56 1HG1 ILE 56 10.378 13.127 3.822 426 HG21 ILE 56 1HG2 ILE 56 11.368 12.882 0.777 427 HG22 ILE 56 2HG2 ILE 56 10.004 13.836 0.189 428 HG23 ILE 56 3HG2 ILE 56 9.756 12.618 1.441 429 HD11 ILE 56 1HD1 ILE 56 12.214 12.093 2.573 430 HD12 ILE 56 2HD1 ILE 56 12.660 12.446 4.243 431 HD13 ILE 56 3HD1 ILE 56 13.230 13.487 2.941 432 H LYS 57 H LYS 57 12.945 16.126 -0.448 433 HA LYS 57 HA LYS 57 10.818 17.785 -1.498 434 HB2 LYS 57 2HB LYS 57 12.449 18.346 -3.248 435 HB3 LYS 57 1HB LYS 57 13.172 18.524 -1.656 436 HG2 LYS 57 2HG LYS 57 13.916 16.018 -2.150 437 HG3 LYS 57 1HG LYS 57 13.775 16.590 -3.813 438 HD2 LYS 57 2HD LYS 57 16.040 16.919 -3.066 439 HD3 LYS 57 1HD LYS 57 15.260 18.494 -3.222 440 HE2 LYS 57 2HE LYS 57 15.066 18.769 -0.911 441 HE3 LYS 57 1HE LYS 57 15.303 17.051 -0.594 442 HZ1 LYS 57 1HZ LYS 57 17.235 18.500 -0.037 443 HZ2 LYS 57 2HZ LYS 57 17.419 18.817 -1.695 444 HZ3 LYS 57 3HZ LYS 57 17.597 17.237 -1.120 445 HA PRO 58 HA PRO 58 8.929 14.726 -4.078 446 HB2 PRO 58 2HB PRO 58 8.935 16.089 -6.526 447 HB3 PRO 58 1HB PRO 58 7.665 16.162 -5.301 448 HG2 PRO 58 2HG PRO 58 9.902 18.052 -5.831 449 HG3 PRO 58 1HG PRO 58 8.248 18.391 -5.294 450 HD2 PRO 58 2HD PRO 58 10.326 18.491 -3.601 451 HD3 PRO 58 1HD PRO 58 8.739 17.886 -3.079 452 H GLN 59 H GLN 59 10.329 13.071 -4.286 453 HA GLN 59 HA GLN 59 12.530 13.353 -6.210 454 HB2 GLN 59 2HB GLN 59 12.200 11.598 -3.792 455 HB3 GLN 59 1HB GLN 59 13.428 11.278 -5.009 456 HG2 GLN 59 2HG GLN 59 14.562 13.278 -4.551 457 HG3 GLN 59 1HG GLN 59 13.202 13.938 -3.646 458 HE21 GLN 59 1HE2 GLN 59 12.733 11.457 -2.200 459 HE22 GLN 59 2HE2 GLN 59 13.998 11.329 -1.033 460 H LYS 60 H LYS 60 12.738 11.979 -7.862 461 HA LYS 60 HA LYS 60 10.475 10.650 -8.844 462 HB2 LYS 60 2HB LYS 60 12.086 11.736 -10.326 463 HB3 LYS 60 1HB LYS 60 13.348 10.643 -9.781 464 HG2 LYS 60 2HG LYS 60 12.434 8.823 -10.914 465 HG3 LYS 60 1HG LYS 60 10.861 9.605 -11.086 466 HD2 LYS 60 2HD LYS 60 13.380 10.599 -12.404 467 HD3 LYS 60 1HD LYS 60 12.229 9.506 -13.183 468 HE2 LYS 60 2HE LYS 60 10.469 11.165 -12.930 469 HE3 LYS 60 1HE LYS 60 11.583 12.238 -12.090 470 HZ1 LYS 60 1HZ LYS 60 12.929 12.326 -14.119 471 HZ2 LYS 60 2HZ LYS 60 11.358 12.907 -14.376 472 HZ3 LYS 60 3HZ LYS 60 11.786 11.357 -14.923 473 H LEU 61 H LEU 61 10.134 8.501 -9.174 474 HA LEU 61 HA LEU 61 10.714 6.744 -7.141 475 HB2 LEU 61 2HB LEU 61 9.740 6.471 -9.914 476 HB3 LEU 61 1HB LEU 61 10.225 5.013 -9.083 477 HG LEU 61 HG LEU 61 8.029 6.919 -8.349 478 HD11 LEU 61 1HD1 LEU 61 6.660 4.941 -8.539 479 HD12 LEU 61 2HD1 LEU 61 8.086 3.951 -8.861 480 HD13 LEU 61 3HD1 LEU 61 7.582 5.179 -10.025 481 HD21 LEU 61 1HD2 LEU 61 9.291 6.390 -6.336 482 HD22 LEU 61 2HD2 LEU 61 9.167 4.669 -6.699 483 HD23 LEU 61 3HD2 LEU 61 7.716 5.599 -6.327 484 H GLY 62 H GLY 62 12.594 5.970 -6.529 485 HA2 GLY 62 2HA GLY 62 14.824 5.607 -8.246 486 HA3 GLY 62 1HA GLY 62 14.660 4.947 -6.617 487 H GLU 63 H GLU 63 15.875 3.275 -8.192 488 HA GLU 63 HA GLU 63 14.100 1.635 -9.773 489 HB2 GLU 63 2HB GLU 63 16.866 0.870 -8.885 490 HB3 GLU 63 1HB GLU 63 16.026 0.434 -10.371 491 HG2 GLU 63 2HG GLU 63 16.577 2.341 -11.407 492 HG3 GLU 63 1HG GLU 63 16.422 3.305 -9.940 493 H ASP 64 H ASP 64 14.192 2.030 -6.653 494 HA ASP 64 HA ASP 64 13.728 -0.817 -6.031 495 HB2 ASP 64 2HB ASP 64 14.895 1.286 -4.190 496 HB3 ASP 64 1HB ASP 64 14.571 -0.387 -3.758 497 H GLU 65 H GLU 65 12.126 1.844 -6.665 498 HA GLU 65 HA GLU 65 10.192 1.514 -4.453 499 HB2 GLU 65 2HB GLU 65 11.152 3.970 -5.875 500 HB3 GLU 65 1HB GLU 65 9.720 3.974 -4.841 501 HG2 GLU 65 2HG GLU 65 12.299 2.958 -3.751 502 HG3 GLU 65 1HG GLU 65 12.078 4.697 -3.932 503 H SER 66 H SER 66 10.537 0.622 -7.374 504 HA SER 66 HA SER 66 8.900 1.534 -9.253 505 HB2 SER 66 2HB SER 66 8.491 -1.343 -8.808 506 HB3 SER 66 1HB SER 66 9.166 -0.494 -10.203 507 HG SER 66 HG SER 66 10.482 -1.835 -8.358 508 H ILE 67 H ILE 67 6.876 2.101 -9.501 509 HA ILE 67 HA ILE 67 4.792 1.109 -7.668 510 HB ILE 67 HB ILE 67 4.990 3.639 -9.296 511 HG12 ILE 67 2HG1 ILE 67 4.795 3.155 -6.323 512 HG13 ILE 67 1HG1 ILE 67 6.252 3.622 -7.195 513 HG21 ILE 67 1HG2 ILE 67 2.830 4.314 -8.399 514 HG22 ILE 67 2HG2 ILE 67 2.651 2.736 -7.631 515 HG23 ILE 67 3HG2 ILE 67 2.688 2.861 -9.389 516 HD11 ILE 67 1HD1 ILE 67 5.229 5.724 -7.806 517 HD12 ILE 67 2HD1 ILE 67 5.231 5.508 -6.056 518 HD13 ILE 67 3HD1 ILE 67 3.747 5.256 -6.975 519 HA PRO 68 HA PRO 68 2.761 -1.097 -11.011 520 HB2 PRO 68 2HB PRO 68 0.327 0.005 -9.673 521 HB3 PRO 68 1HB PRO 68 0.669 -1.651 -10.190 522 HG2 PRO 68 2HG PRO 68 0.826 -0.975 -7.623 523 HG3 PRO 68 1HG PRO 68 2.006 -2.086 -8.342 524 HD2 PRO 68 2HD PRO 68 2.314 0.773 -7.582 525 HD3 PRO 68 1HD PRO 68 3.507 -0.541 -7.549 526 H GLU 69 H GLU 69 2.525 -0.333 -13.028 527 HA GLU 69 HA GLU 69 2.407 2.368 -13.691 528 HB2 GLU 69 2HB GLU 69 1.750 -0.074 -15.330 529 HB3 GLU 69 1HB GLU 69 1.833 1.549 -16.004 530 HG2 GLU 69 2HG GLU 69 4.160 1.729 -15.357 531 HG3 GLU 69 1HG GLU 69 4.093 0.135 -14.605 532 H GLU 70 H GLU 70 -0.182 0.260 -12.863 533 HA GLU 70 HA GLU 70 -2.230 1.713 -14.231 534 HB2 GLU 70 2HB GLU 70 -3.790 0.340 -12.951 535 HB3 GLU 70 1HB GLU 70 -2.527 -0.635 -13.688 536 HG2 GLU 70 2HG GLU 70 -1.414 -0.908 -11.602 537 HG3 GLU 70 1HG GLU 70 -2.464 0.275 -10.823 538 H ILE 71 H ILE 71 -0.652 2.067 -11.131 539 HA ILE 71 HA ILE 71 -2.731 4.016 -10.362 540 HB ILE 71 HB ILE 71 -2.059 3.767 -8.069 541 HG12 ILE 71 2HG1 ILE 71 0.052 1.819 -9.023 542 HG13 ILE 71 1HG1 ILE 71 0.379 3.469 -8.506 543 HG21 ILE 71 1HG2 ILE 71 -3.634 2.129 -8.898 544 HG22 ILE 71 2HG2 ILE 71 -2.571 1.382 -7.708 545 HG23 ILE 71 3HG2 ILE 71 -2.318 1.087 -9.427 546 HD11 ILE 71 1HD1 ILE 71 -0.512 2.920 -6.281 547 HD12 ILE 71 2HD1 ILE 71 0.890 1.944 -6.726 548 HD13 ILE 71 3HD1 ILE 71 -0.731 1.250 -6.809 549 H ILE 72 H ILE 72 0.511 3.631 -11.309 550 HA ILE 72 HA ILE 72 1.835 5.801 -10.160 551 HB ILE 72 HB ILE 72 2.599 3.845 -11.664 552 HG12 ILE 72 2HG1 ILE 72 3.868 5.987 -10.610 553 HG13 ILE 72 1HG1 ILE 72 4.692 4.712 -11.498 554 HG21 ILE 72 1HG2 ILE 72 3.169 4.536 -13.978 555 HG22 ILE 72 2HG2 ILE 72 2.187 5.980 -13.732 556 HG23 ILE 72 3HG2 ILE 72 1.437 4.386 -13.677 557 HD11 ILE 72 1HD1 ILE 72 4.586 6.059 -13.533 558 HD12 ILE 72 2HD1 ILE 72 5.413 6.915 -12.233 559 HD13 ILE 72 3HD1 ILE 72 3.751 7.335 -12.648 560 H ASN 73 H ASN 73 -0.627 5.777 -12.533 561 HA ASN 73 HA ASN 73 -0.017 8.565 -13.207 562 HB2 ASN 73 2HB ASN 73 -0.372 6.419 -14.904 563 HB3 ASN 73 1HB ASN 73 -1.950 7.202 -14.920 564 HD21 ASN 73 1HD2 ASN 73 0.393 6.963 -16.838 565 HD22 ASN 73 2HD2 ASN 73 0.644 8.586 -17.384 566 H GLY 74 H GLY 74 -1.584 7.170 -10.962 567 HA2 GLY 74 2HA GLY 74 -3.984 8.911 -11.280 568 HA3 GLY 74 1HA GLY 74 -4.157 7.259 -10.718 569 H LYS 75 H LYS 75 -1.429 9.140 -9.712 570 HA LYS 75 HA LYS 75 -0.713 9.904 -7.703 571 HB2 LYS 75 2HB LYS 75 -2.545 11.518 -7.902 572 HB3 LYS 75 1HB LYS 75 -3.652 10.367 -7.164 573 HG2 LYS 75 2HG LYS 75 -3.099 11.098 -5.155 574 HG3 LYS 75 1HG LYS 75 -1.407 10.690 -5.448 575 HD2 LYS 75 2HD LYS 75 -1.629 13.038 -4.869 576 HD3 LYS 75 1HD LYS 75 -1.080 12.865 -6.536 577 HE2 LYS 75 2HE LYS 75 -3.252 13.380 -7.380 578 HE3 LYS 75 1HE LYS 75 -3.963 13.295 -5.772 579 HZ1 LYS 75 1HZ LYS 75 -3.483 15.595 -6.744 580 HZ2 LYS 75 2HZ LYS 75 -1.850 15.265 -6.412 581 HZ3 LYS 75 3HZ LYS 75 -2.980 15.302 -5.152 582 H CYS 76 H CYS 76 0.169 8.585 -6.304 583 HA CYS 76 HA CYS 76 -1.570 6.509 -5.120 584 HB2 CYS 76 2HB CYS 76 1.321 5.920 -5.246 585 HB3 CYS 76 1HB CYS 76 -0.061 4.859 -5.491 586 HG CYS 76 HG CYS 76 -0.527 5.975 -8.122 587 H PHE 77 H PHE 77 -0.620 5.584 -3.105 588 HA PHE 77 HA PHE 77 0.891 7.540 -1.537 589 HB2 PHE 77 2HB PHE 77 -1.679 6.229 -0.618 590 HB3 PHE 77 1HB PHE 77 -0.671 7.322 0.329 591 HD1 PHE 77 1HD PHE 77 -0.167 9.619 -0.960 592 HD2 PHE 77 2HD PHE 77 -3.547 7.117 -1.559 593 HE1 PHE 77 1HE PHE 77 -1.421 11.544 -1.828 594 HE2 PHE 77 2HE PHE 77 -4.817 9.036 -2.422 595 HZ PHE 77 HZ PHE 77 -3.748 11.247 -2.587 596 H PHE 78 H PHE 78 2.565 6.531 -0.704 597 HA PHE 78 HA PHE 78 2.585 3.631 -0.559 598 HB2 PHE 78 2HB PHE 78 4.588 4.880 -1.336 599 HB3 PHE 78 1HB PHE 78 4.726 5.610 0.258 600 HD1 PHE 78 1HD PHE 78 4.951 2.449 -1.616 601 HD2 PHE 78 2HD PHE 78 5.721 4.439 2.065 602 HE1 PHE 78 1HE PHE 78 6.355 0.563 -0.898 603 HE2 PHE 78 2HE PHE 78 7.122 2.552 2.797 604 HZ PHE 78 HZ PHE 78 7.441 0.617 1.310 605 H ILE 79 H ILE 79 1.310 2.968 1.032 606 HA ILE 79 HA ILE 79 1.534 4.248 3.671 607 HB ILE 79 HB ILE 79 -0.515 3.311 4.263 608 HG12 ILE 79 2HG1 ILE 79 0.263 1.039 3.188 609 HG13 ILE 79 1HG1 ILE 79 -1.445 1.360 3.459 610 HG21 ILE 79 1HG2 ILE 79 -2.086 3.923 2.517 611 HG22 ILE 79 2HG2 ILE 79 -0.778 3.931 1.331 612 HG23 ILE 79 3HG2 ILE 79 -0.784 5.104 2.648 613 HD11 ILE 79 1HD1 ILE 79 -1.691 2.001 1.114 614 HD12 ILE 79 2HD1 ILE 79 -1.071 0.358 1.283 615 HD13 ILE 79 3HD1 ILE 79 0.020 1.675 0.853 616 H HIS 80 H HIS 80 1.209 2.791 5.431 617 HA HIS 80 HA HIS 80 2.641 0.259 5.144 618 HB2 HIS 80 2HB HIS 80 4.244 1.529 6.233 619 HB3 HIS 80 1HB HIS 80 3.048 2.592 6.961 620 HD1 HIS 80 1HD HIS 80 4.729 -0.736 7.463 621 HD2 HIS 80 2HD HIS 80 2.196 1.903 9.427 622 HE1 HIS 80 1HE HIS 80 4.583 -1.587 9.842 623 HE2 HIS 80 2HE HIS 80 2.864 -0.097 10.950 624 H TYR 81 H TYR 81 1.084 -1.224 5.448 625 HA TYR 81 HA TYR 81 -1.434 -0.755 6.481 626 HB2 TYR 81 2HB TYR 81 0.122 -3.329 6.270 627 HB3 TYR 81 1HB TYR 81 -1.573 -3.261 6.750 628 HD1 TYR 81 1HD TYR 81 -2.606 -1.166 4.931 629 HD2 TYR 81 2HD TYR 81 0.094 -4.363 4.172 630 HE1 TYR 81 1HE TYR 81 -3.264 -1.156 2.560 631 HE2 TYR 81 2HE TYR 81 -0.556 -4.362 1.802 632 HH TYR 81 HH TYR 81 -1.917 -3.511 0.263 633 H GLN 82 H GLN 82 -1.927 -0.033 8.336 634 HA GLN 82 HA GLN 82 -0.371 -0.017 10.645 635 HB2 GLN 82 2HB GLN 82 -2.410 1.419 9.940 636 HB3 GLN 82 1HB GLN 82 -3.363 0.161 10.714 637 HG2 GLN 82 2HG GLN 82 -3.127 1.565 12.465 638 HG3 GLN 82 1HG GLN 82 -1.668 0.601 12.688 639 HE21 GLN 82 1HE2 GLN 82 -2.978 3.664 11.808 640 HE22 GLN 82 2HE2 GLN 82 -1.473 4.526 11.751 641 H GLY 83 H GLY 83 0.183 -1.642 11.932 642 HA2 GLY 83 2HA GLY 83 -0.285 -3.278 13.549 643 HA3 GLY 83 1HA GLY 83 -1.895 -3.461 12.876 644 H TRP 84 H TRP 84 0.161 -3.557 10.299 645 HA TRP 84 HA TRP 84 0.069 -6.477 10.315 646 HB2 TRP 84 2HB TRP 84 0.113 -4.412 8.190 647 HB3 TRP 84 1HB TRP 84 0.945 -5.921 7.831 648 HD1 TRP 84 HD TRP 84 -2.295 -4.441 7.340 649 HE1 TRP 84 1HE TRP 84 -4.133 -6.217 7.034 650 HE3 TRP 84 3HE TRP 84 0.235 -8.522 9.080 651 HZ2 TRP 84 2HZ TRP 84 -4.466 -8.990 7.481 652 HZ3 TRP 84 3HZ TRP 84 -0.915 -10.697 9.115 653 HH2 TRP 84 HH TRP 84 -3.217 -10.920 8.331 654 H LYS 85 H LYS 85 2.418 -4.450 8.619 655 HA LYS 85 HA LYS 85 4.637 -4.906 10.282 656 HB2 LYS 85 2HB LYS 85 3.995 -7.262 9.217 657 HB3 LYS 85 1HB LYS 85 4.887 -6.622 7.846 658 HG2 LYS 85 2HG LYS 85 6.342 -7.961 9.209 659 HG3 LYS 85 1HG LYS 85 6.835 -6.270 9.319 660 HD2 LYS 85 2HD LYS 85 5.805 -6.038 11.463 661 HD3 LYS 85 1HD LYS 85 5.055 -7.630 11.332 662 HE2 LYS 85 2HE LYS 85 7.331 -8.631 11.280 663 HE3 LYS 85 1HE LYS 85 7.997 -7.025 11.568 664 HZ1 LYS 85 1HZ LYS 85 7.854 -8.198 13.631 665 HZ2 LYS 85 2HZ LYS 85 6.210 -8.550 13.383 666 HZ3 LYS 85 3HZ LYS 85 6.705 -6.949 13.645 667 H SER 86 H SER 86 6.691 -4.292 9.169 668 HA SER 86 HA SER 86 6.290 -2.059 7.467 669 HB2 SER 86 2HB SER 86 9.007 -3.180 7.562 670 HB3 SER 86 1HB SER 86 8.432 -1.581 8.033 671 HG SER 86 HG SER 86 8.134 -2.251 10.037 672 H SER 87 H SER 87 6.732 -5.414 6.932 673 HA SER 87 HA SER 87 7.732 -5.226 4.249 674 HB2 SER 87 2HB SER 87 6.323 -7.692 5.118 675 HB3 SER 87 1HB SER 87 7.911 -7.500 4.370 676 HG SER 87 HG SER 87 8.814 -7.143 6.303 677 H TRP 88 H TRP 88 4.795 -4.595 5.651 678 HA TRP 88 HA TRP 88 3.205 -5.456 3.353 679 HB2 TRP 88 2HB TRP 88 2.526 -4.499 6.114 680 HB3 TRP 88 1HB TRP 88 1.313 -4.466 4.840 681 HD1 TRP 88 HD TRP 88 3.231 -6.844 7.089 682 HE1 TRP 88 1HE TRP 88 2.164 -9.186 6.955 683 HE3 TRP 88 3HE TRP 88 0.030 -6.014 3.209 684 HZ2 TRP 88 2HZ TRP 88 0.201 -10.503 5.394 685 HZ3 TRP 88 3HZ TRP 88 -1.413 -7.864 2.460 686 HH2 TRP 88 HH TRP 88 -1.322 -10.055 3.529 687 H ASP 89 H ASP 89 5.081 -2.914 4.126 688 HA ASP 89 HA ASP 89 3.514 -0.661 3.518 689 HB2 ASP 89 2HB ASP 89 6.472 -1.224 3.276 690 HB3 ASP 89 1HB ASP 89 5.785 0.336 2.839 691 H GLU 90 H GLU 90 2.359 -0.473 1.706 692 HA GLU 90 HA GLU 90 3.636 -1.177 -0.849 693 HB2 GLU 90 2HB GLU 90 0.859 -1.885 0.084 694 HB3 GLU 90 1HB GLU 90 1.288 -1.846 -1.619 695 HG2 GLU 90 2HG GLU 90 3.187 -3.447 -0.954 696 HG3 GLU 90 1HG GLU 90 2.255 -3.690 0.525 697 H TRP 91 H TRP 91 1.980 -0.381 -2.669 698 HA TRP 91 HA TRP 91 1.549 2.486 -2.163 699 HB2 TRP 91 2HB TRP 91 2.255 0.927 -4.640 700 HB3 TRP 91 1HB TRP 91 1.572 2.543 -4.746 701 HD1 TRP 91 HD TRP 91 4.797 0.705 -4.187 702 HE1 TRP 91 1HE TRP 91 6.719 2.404 -3.970 703 HE3 TRP 91 3HE TRP 91 2.050 4.994 -3.702 704 HZ2 TRP 91 2HZ TRP 91 7.023 5.190 -3.651 705 HZ3 TRP 91 3HZ TRP 91 3.247 7.133 -3.439 706 HH2 TRP 91 HH TRP 91 5.676 7.224 -3.406 707 H VAL 92 H VAL 92 -0.567 3.034 -1.974 708 HA VAL 92 HA VAL 92 -2.517 1.479 -3.558 709 HB VAL 92 HB VAL 92 -4.267 2.319 -1.968 710 HG11 VAL 92 1HG1 VAL 92 -3.389 0.056 -1.814 711 HG12 VAL 92 2HG1 VAL 92 -3.739 0.695 -0.209 712 HG13 VAL 92 3HG1 VAL 92 -2.073 0.619 -0.785 713 HG21 VAL 92 1HG2 VAL 92 -1.881 3.141 -0.306 714 HG22 VAL 92 2HG2 VAL 92 -3.562 3.125 0.233 715 HG23 VAL 92 3HG2 VAL 92 -3.057 4.229 -1.046 716 H GLY 93 H GLY 93 -4.352 2.758 -4.406 717 HA2 GLY 93 2HA GLY 93 -3.506 5.548 -4.891 718 HA3 GLY 93 1HA GLY 93 -4.158 4.526 -6.169 719 H TYR 94 H TYR 94 -5.376 6.839 -5.815 720 HA TYR 94 HA TYR 94 -7.426 7.189 -3.991 721 HB2 TYR 94 2HB TYR 94 -6.886 8.052 -6.774 722 HB3 TYR 94 1HB TYR 94 -8.522 8.281 -6.169 723 HD1 TYR 94 1HD TYR 94 -8.922 9.710 -4.223 724 HD2 TYR 94 2HD TYR 94 -5.094 9.397 -6.031 725 HE1 TYR 94 1HE TYR 94 -8.240 11.773 -3.109 726 HE2 TYR 94 2HE TYR 94 -4.388 11.463 -4.931 727 HH TYR 94 HH TYR 94 -6.145 12.899 -2.403 728 H ASP 95 H ASP 95 -7.121 4.694 -6.008 729 HA ASP 95 HA ASP 95 -9.951 4.315 -6.626 730 HB2 ASP 95 2HB ASP 95 -8.967 2.232 -7.830 731 HB3 ASP 95 1HB ASP 95 -8.713 3.820 -8.543 732 H ARG 96 H ARG 96 -7.522 3.324 -4.432 733 HA ARG 96 HA ARG 96 -9.353 1.226 -3.438 734 HB2 ARG 96 2HB ARG 96 -6.338 1.165 -3.601 735 HB3 ARG 96 1HB ARG 96 -7.276 0.030 -2.639 736 HG2 ARG 96 2HG ARG 96 -8.228 -0.960 -4.528 737 HG3 ARG 96 1HG ARG 96 -7.789 0.399 -5.565 738 HD2 ARG 96 2HD ARG 96 -5.370 -0.221 -5.100 739 HD3 ARG 96 1HD ARG 96 -5.996 -1.719 -4.407 740 HE ARG 96 HE ARG 96 -7.183 -1.668 -6.824 741 HH11 ARG 96 1HH1 ARG 96 -3.831 -1.306 -5.843 742 HH12 ARG 96 2HH1 ARG 96 -3.197 -1.909 -7.340 743 HH21 ARG 96 1HH2 ARG 96 -6.337 -2.409 -8.810 744 HH22 ARG 96 2HH2 ARG 96 -4.612 -2.473 -9.048 745 H ILE 97 H ILE 97 -7.389 3.954 -2.758 746 HA ILE 97 HA ILE 97 -7.475 3.515 0.100 747 HB ILE 97 HB ILE 97 -5.441 4.476 -0.888 748 HG12 ILE 97 2HG1 ILE 97 -6.913 6.426 0.858 749 HG13 ILE 97 1HG1 ILE 97 -6.076 4.984 1.427 750 HG21 ILE 97 1HG2 ILE 97 -7.176 6.851 -1.516 751 HG22 ILE 97 2HG2 ILE 97 -6.473 5.743 -2.694 752 HG23 ILE 97 3HG2 ILE 97 -5.423 6.761 -1.709 753 HD11 ILE 97 1HD1 ILE 97 -4.827 7.345 0.063 754 HD12 ILE 97 2HD1 ILE 97 -3.975 5.894 0.595 755 HD13 ILE 97 3HD1 ILE 97 -4.734 6.957 1.783 756 H ARG 98 H ARG 98 -8.614 4.651 1.550 757 HA ARG 98 HA ARG 98 -10.622 6.578 0.571 758 HB2 ARG 98 2HB ARG 98 -11.070 4.487 2.712 759 HB3 ARG 98 1HB ARG 98 -12.259 5.630 2.106 760 HG2 ARG 98 2HG ARG 98 -10.969 3.675 0.247 761 HG3 ARG 98 1HG ARG 98 -12.293 3.167 1.298 762 HD2 ARG 98 2HD ARG 98 -12.424 5.499 -0.618 763 HD3 ARG 98 1HD ARG 98 -13.022 3.879 -0.975 764 HE ARG 98 HE ARG 98 -14.125 5.682 1.090 765 HH11 ARG 98 1HH1 ARG 98 -14.476 2.986 -1.140 766 HH12 ARG 98 2HH1 ARG 98 -16.157 2.744 -0.766 767 HH21 ARG 98 1HH2 ARG 98 -16.345 5.361 1.554 768 HH22 ARG 98 2HH2 ARG 98 -17.225 4.106 0.732 769 H ALA 99 H ALA 99 -11.665 7.524 2.830 770 HA ALA 99 HA ALA 99 -9.368 8.685 4.208 771 HB1 ALA 99 1HB ALA 99 -10.903 10.460 4.901 772 HB2 ALA 99 2HB ALA 99 -12.240 9.635 4.099 773 HB3 ALA 99 3HB ALA 99 -10.915 10.298 3.143 774 H TYR 100 H TYR 100 -8.960 7.487 5.908 775 HA TYR 100 HA TYR 100 -10.653 5.785 7.295 776 HB2 TYR 100 2HB TYR 100 -8.228 5.755 7.380 777 HB3 TYR 100 1HB TYR 100 -8.211 7.339 8.121 778 HD1 TYR 100 1HD TYR 100 -9.056 3.784 8.644 779 HD2 TYR 100 2HD TYR 100 -8.353 7.541 10.507 780 HE1 TYR 100 1HE TYR 100 -8.938 2.670 10.829 781 HE2 TYR 100 2HE TYR 100 -8.244 6.436 12.701 782 HH TYR 100 HH TYR 100 -8.228 2.948 12.999 783 H ASN 101 H ASN 101 -12.629 6.642 7.836 784 HA ASN 101 HA ASN 101 -12.674 8.567 10.014 785 HB2 ASN 101 2HB ASN 101 -13.970 10.190 8.978 786 HB3 ASN 101 1HB ASN 101 -12.879 9.725 7.680 787 HD21 ASN 101 1HD2 ASN 101 -13.692 8.265 6.051 788 HD22 ASN 101 2HD2 ASN 101 -15.388 8.270 5.675 789 H GLU 102 H GLU 102 -15.044 8.939 10.631 790 HA GLU 102 HA GLU 102 -16.086 6.701 11.781 791 HB2 GLU 102 2HB GLU 102 -17.554 9.170 10.867 792 HB3 GLU 102 1HB GLU 102 -18.233 7.967 11.951 793 HG2 GLU 102 2HG GLU 102 -15.688 9.429 12.556 794 HG3 GLU 102 1HG GLU 102 -17.277 10.048 13.001 795 H GLU 103 H GLU 103 -16.908 7.900 8.547 796 HA GLU 103 HA GLU 103 -19.123 6.082 8.301 797 HB2 GLU 103 2HB GLU 103 -18.972 8.375 7.258 798 HB3 GLU 103 1HB GLU 103 -17.884 7.661 6.071 799 HG2 GLU 103 2HG GLU 103 -19.721 5.950 5.668 800 HG3 GLU 103 1HG GLU 103 -20.776 7.048 6.554 801 H ASN 104 H ASN 104 -15.831 6.139 6.841 802 HA ASN 104 HA ASN 104 -16.564 3.812 5.272 803 HB2 ASN 104 2HB ASN 104 -14.505 3.982 4.165 804 HB3 ASN 104 1HB ASN 104 -14.999 5.644 4.452 805 HD21 ASN 104 1HD2 ASN 104 -12.359 4.279 4.057 806 HD22 ASN 104 2HD2 ASN 104 -11.387 4.839 5.370 807 H ILE 105 H ILE 105 -14.964 4.505 8.237 808 HA ILE 105 HA ILE 105 -13.654 1.994 8.533 809 HB ILE 105 HB ILE 105 -14.518 4.021 10.541 810 HG12 ILE 105 2HG1 ILE 105 -11.839 3.456 9.275 811 HG13 ILE 105 1HG1 ILE 105 -12.882 4.833 8.914 812 HG21 ILE 105 1HG2 ILE 105 -14.286 1.850 11.592 813 HG22 ILE 105 2HG2 ILE 105 -12.984 2.928 12.093 814 HG23 ILE 105 3HG2 ILE 105 -12.676 1.673 10.892 815 HD11 ILE 105 1HD1 ILE 105 -11.109 5.481 10.384 816 HD12 ILE 105 2HD1 ILE 105 -11.572 4.227 11.538 817 HD13 ILE 105 3HD1 ILE 105 -12.658 5.577 11.216 818 H ALA 106 H ALA 106 -16.764 3.361 9.402 819 HA ALA 106 HA ALA 106 -17.755 1.405 11.084 820 HB1 ALA 106 1HB ALA 106 -19.975 2.131 10.415 821 HB2 ALA 106 2HB ALA 106 -19.307 2.935 8.993 822 HB3 ALA 106 3HB ALA 106 -18.911 3.525 10.609 823 H MET 107 H MET 107 -17.499 1.525 7.584 824 HA MET 107 HA MET 107 -18.920 -0.929 7.181 825 HB2 MET 107 2HB MET 107 -18.304 1.009 5.438 826 HB3 MET 107 1HB MET 107 -16.924 -0.045 5.158 827 HG2 MET 107 2HG MET 107 -18.412 -1.889 4.649 828 HG3 MET 107 1HG MET 107 -19.813 -0.864 4.951 829 HE1 MET 107 1HE MET 107 -19.346 1.831 3.668 830 HE2 MET 107 2HE MET 107 -20.774 0.857 3.313 831 HE3 MET 107 3HE MET 107 -19.854 1.585 1.996 832 H LYS 108 H LYS 108 -15.483 0.018 7.234 833 HA LYS 108 HA LYS 108 -14.236 -2.348 6.669 834 HB2 LYS 108 2HB LYS 108 -13.136 -0.146 7.127 835 HB3 LYS 108 1HB LYS 108 -13.376 -0.434 8.844 836 HG2 LYS 108 2HG LYS 108 -12.027 -2.633 7.480 837 HG3 LYS 108 1HG LYS 108 -11.149 -1.106 7.405 838 HD2 LYS 108 2HD LYS 108 -12.272 -2.052 10.008 839 HD3 LYS 108 1HD LYS 108 -10.761 -2.733 9.405 840 HE2 LYS 108 2HE LYS 108 -10.230 -0.133 9.063 841 HE3 LYS 108 1HE LYS 108 -11.364 -0.012 10.408 842 HZ1 LYS 108 1HZ LYS 108 -9.134 -0.192 11.256 843 HZ2 LYS 108 2HZ LYS 108 -8.849 -1.598 10.349 844 HZ3 LYS 108 3HZ LYS 108 -9.965 -1.622 11.623 845 H LYS 109 H LYS 109 -15.581 -1.328 9.730 846 HA LYS 109 HA LYS 109 -14.711 -3.511 11.310 847 HB2 LYS 109 2HB LYS 109 -17.272 -1.955 11.684 848 HB3 LYS 109 1HB LYS 109 -16.394 -2.850 12.911 849 HG2 LYS 109 2HG LYS 109 -15.428 -0.364 11.520 850 HG3 LYS 109 1HG LYS 109 -16.103 -0.445 13.149 851 HD2 LYS 109 2HD LYS 109 -14.114 -2.335 13.220 852 HD3 LYS 109 1HD LYS 109 -13.421 -1.070 12.200 853 HE2 LYS 109 2HE LYS 109 -12.860 -0.075 14.129 854 HE3 LYS 109 1HE LYS 109 -14.561 0.379 14.212 855 HZ1 LYS 109 1HZ LYS 109 -14.953 -1.701 15.480 856 HZ2 LYS 109 2HZ LYS 109 -13.934 -0.608 16.277 857 HZ3 LYS 109 3HZ LYS 109 -13.277 -1.968 15.504 858 H ARG 110 H ARG 110 -17.893 -2.913 9.860 859 HA ARG 110 HA ARG 110 -18.939 -5.482 10.414 860 HB2 ARG 110 2HB ARG 110 -20.149 -3.291 9.772 861 HB3 ARG 110 1HB ARG 110 -19.775 -3.728 8.111 862 HG2 ARG 110 2HG ARG 110 -20.983 -5.877 8.484 863 HG3 ARG 110 1HG ARG 110 -21.468 -5.265 10.069 864 HD2 ARG 110 2HD ARG 110 -22.208 -4.225 7.347 865 HD3 ARG 110 1HD ARG 110 -23.272 -4.800 8.628 866 HE ARG 110 HE ARG 110 -21.678 -2.415 9.182 867 HH11 ARG 110 1HH1 ARG 110 -24.810 -3.824 8.448 868 HH12 ARG 110 2HH1 ARG 110 -25.681 -2.362 8.808 869 HH21 ARG 110 1HH2 ARG 110 -22.815 -0.501 9.622 870 HH22 ARG 110 2HH2 ARG 110 -24.547 -0.468 9.486 871 H LEU 111 H LEU 111 -17.063 -4.118 7.878 872 HA LEU 111 HA LEU 111 -17.363 -6.098 5.904 873 HB2 LEU 111 2HB LEU 111 -15.608 -3.804 6.452 874 HB3 LEU 111 1HB LEU 111 -14.952 -4.997 5.367 875 HG LEU 111 HG LEU 111 -17.617 -3.751 5.024 876 HD11 LEU 111 1HD1 LEU 111 -16.607 -2.288 3.355 877 HD12 LEU 111 2HD1 LEU 111 -15.022 -2.973 3.720 878 HD13 LEU 111 3HD1 LEU 111 -15.880 -2.031 4.941 879 HD21 LEU 111 1HD2 LEU 111 -17.368 -5.840 3.878 880 HD22 LEU 111 2HD2 LEU 111 -15.907 -5.236 3.089 881 HD23 LEU 111 3HD2 LEU 111 -17.472 -4.492 2.745 882 H ALA 112 H ALA 112 -14.891 -5.643 8.435 883 HA ALA 112 HA ALA 112 -13.475 -7.950 7.510 884 HB1 ALA 112 1HB ALA 112 -12.114 -7.700 9.530 885 HB2 ALA 112 2HB ALA 112 -13.256 -6.520 10.169 886 HB3 ALA 112 3HB ALA 112 -12.321 -6.145 8.724 887 H ASN 113 H ASN 113 -16.312 -7.488 9.148 888 HA ASN 113 HA ASN 113 -16.173 -10.033 10.568 889 HB2 ASN 113 2HB ASN 113 -17.915 -7.633 10.684 890 HB3 ASN 113 1HB ASN 113 -18.651 -9.178 11.084 891 HD21 ASN 113 1HD2 ASN 113 -16.437 -6.727 12.037 892 HD22 ASN 113 2HD2 ASN 113 -16.103 -7.345 13.623 893 H GLU 114 H GLU 114 -17.737 -8.458 7.849 894 HA GLU 114 HA GLU 114 -19.366 -10.812 7.297 895 HB2 GLU 114 2HB GLU 114 -19.369 -8.022 6.159 896 HB3 GLU 114 1HB GLU 114 -20.327 -9.326 5.468 897 HG2 GLU 114 2HG GLU 114 -21.348 -9.607 7.764 898 HG3 GLU 114 1HG GLU 114 -20.566 -8.087 8.191 899 H ALA 115 H ALA 115 -16.650 -8.979 5.876 900 HA ALA 115 HA ALA 115 -16.762 -10.531 3.420 901 HB1 ALA 115 1HB ALA 115 -14.604 -8.709 4.476 902 HB2 ALA 115 2HB ALA 115 -15.918 -8.234 3.401 903 HB3 ALA 115 3HB ALA 115 -14.688 -9.371 2.845 904 H LYS 116 H LYS 116 -15.851 -11.105 6.492 905 HA LYS 116 HA LYS 116 -13.630 -12.878 5.869 906 HB2 LYS 116 2HB LYS 116 -13.088 -12.720 8.091 907 HB3 LYS 116 1HB LYS 116 -13.920 -11.189 7.871 908 HG2 LYS 116 2HG LYS 116 -15.759 -11.842 9.066 909 HG3 LYS 116 1HG LYS 116 -15.485 -13.562 8.774 910 HD2 LYS 116 2HD LYS 116 -13.406 -13.327 10.218 911 HD3 LYS 116 1HD LYS 116 -14.020 -11.735 10.665 912 HE2 LYS 116 2HE LYS 116 -15.247 -14.423 11.193 913 HE3 LYS 116 1HE LYS 116 -14.737 -13.206 12.361 914 HZ1 LYS 116 1HZ LYS 116 -17.152 -13.284 10.685 915 HZ2 LYS 116 2HZ LYS 116 -16.518 -11.783 11.150 916 HZ3 LYS 116 3HZ LYS 116 -16.983 -12.896 12.332 917 H GLU 117 H GLU 117 -16.880 -12.972 5.793 918 HA GLU 117 HA GLU 117 -17.244 -15.633 6.912 919 HB2 GLU 117 2HB GLU 117 -19.265 -13.851 5.536 920 HB3 GLU 117 1HB GLU 117 -19.600 -15.269 6.524 921 HG2 GLU 117 2HG GLU 117 -18.234 -12.808 7.587 922 HG3 GLU 117 1HG GLU 117 -19.984 -13.039 7.624 923 H ALA 118 H ALA 118 -15.889 -16.715 5.408 924 HA ALA 118 HA ALA 118 -16.396 -16.668 2.603 925 HB1 ALA 118 1HB ALA 118 -14.829 -18.537 2.492 926 HB2 ALA 118 2HB ALA 118 -14.874 -18.688 4.249 927 HB3 ALA 118 3HB ALA 118 -14.199 -17.238 3.506 928 H LYS 119 H LYS 119 -17.772 -18.323 5.268 929 HA LYS 119 HA LYS 119 -19.677 -19.617 3.532 930 HB2 LYS 119 2HB LYS 119 -17.814 -21.263 3.674 931 HB3 LYS 119 1HB LYS 119 -18.004 -21.287 5.420 932 HG2 LYS 119 2HG LYS 119 -19.116 -23.194 4.610 933 HG3 LYS 119 1HG LYS 119 -20.381 -22.041 5.033 934 HD2 LYS 119 2HD LYS 119 -19.680 -21.568 2.334 935 HD3 LYS 119 1HD LYS 119 -19.866 -23.308 2.525 936 HE2 LYS 119 2HE LYS 119 -21.897 -21.265 3.403 937 HE3 LYS 119 1HE LYS 119 -21.953 -22.130 1.870 938 HZ1 LYS 119 1HZ LYS 119 -22.314 -23.204 4.602 939 HZ2 LYS 119 2HZ LYS 119 -21.899 -24.219 3.310 940 HZ3 LYS 119 3HZ LYS 119 -23.345 -23.333 3.262 941 H LYS 120 H LYS 120 -21.622 -19.687 4.465 942 HA LYS 120 HA LYS 120 -21.841 -19.686 7.364 943 HB2 LYS 120 2HB LYS 120 -22.494 -17.425 5.627 944 HB3 LYS 120 1HB LYS 120 -23.837 -17.923 6.650 945 HG2 LYS 120 2HG LYS 120 -21.094 -17.045 7.506 946 HG3 LYS 120 1HG LYS 120 -22.639 -16.258 7.838 947 HD2 LYS 120 2HD LYS 120 -23.190 -17.734 9.489 948 HD3 LYS 120 1HD LYS 120 -22.301 -19.065 8.747 949 HE2 LYS 120 2HE LYS 120 -21.251 -16.799 10.410 950 HE3 LYS 120 1HE LYS 120 -21.095 -18.532 10.692 951 HZ1 LYS 120 1HZ LYS 120 -19.068 -18.211 9.813 952 HZ2 LYS 120 2HZ LYS 120 -19.504 -16.771 9.035 953 HZ3 LYS 120 3HZ LYS 120 -19.877 -18.261 8.321 Start of MODEL 7 1 H MET 1 1HT MET 1 -16.570 19.212 -0.827 2 HA MET 1 HA MET 1 -15.606 21.604 0.600 3 HB2 MET 1 2HB MET 1 -17.084 20.353 2.121 4 HB3 MET 1 1HB MET 1 -16.202 18.870 1.775 5 HG2 MET 1 2HG MET 1 -15.598 19.901 3.932 6 HG3 MET 1 1HG MET 1 -14.233 19.719 2.834 7 HE1 MET 1 1HE MET 1 -14.048 21.542 5.382 8 HE2 MET 1 2HE MET 1 -13.282 22.987 4.721 9 HE3 MET 1 3HE MET 1 -12.743 21.389 4.206 10 H VAL 2 H VAL 2 -13.367 21.451 1.104 11 HA VAL 2 HA VAL 2 -11.961 19.668 -0.707 12 HB VAL 2 HB VAL 2 -9.910 20.933 0.200 13 HG11 VAL 2 1HG1 VAL 2 -10.852 21.190 -2.049 14 HG12 VAL 2 2HG1 VAL 2 -10.248 22.725 -1.422 15 HG13 VAL 2 3HG1 VAL 2 -11.981 22.398 -1.436 16 HG21 VAL 2 1HG2 VAL 2 -12.116 22.801 1.083 17 HG22 VAL 2 2HG2 VAL 2 -10.400 23.204 1.033 18 HG23 VAL 2 3HG2 VAL 2 -10.978 21.957 2.135 19 H ASP 3 H ASP 3 -11.694 17.720 0.020 20 HA ASP 3 HA ASP 3 -10.096 17.222 2.348 21 HB2 ASP 3 2HB ASP 3 -11.770 15.674 3.403 22 HB3 ASP 3 1HB ASP 3 -12.194 17.377 3.508 23 H LEU 4 H LEU 4 -10.286 16.745 -0.585 24 HA LEU 4 HA LEU 4 -10.420 13.843 -0.761 25 HB2 LEU 4 2HB LEU 4 -10.135 14.225 -3.201 26 HB3 LEU 4 1HB LEU 4 -11.546 15.006 -2.511 27 HG LEU 4 HG LEU 4 -9.195 16.747 -2.574 28 HD11 LEU 4 1HD1 LEU 4 -10.338 15.681 -5.149 29 HD12 LEU 4 2HD1 LEU 4 -8.669 15.550 -4.588 30 HD13 LEU 4 3HD1 LEU 4 -9.332 17.125 -5.021 31 HD21 LEU 4 1HD2 LEU 4 -11.986 17.031 -3.692 32 HD22 LEU 4 2HD2 LEU 4 -10.815 18.329 -3.456 33 HD23 LEU 4 3HD2 LEU 4 -11.492 17.485 -2.064 34 H GLU 5 H GLU 5 -8.041 16.163 -0.177 35 HA GLU 5 HA GLU 5 -5.966 14.180 -0.748 36 HB2 GLU 5 2HB GLU 5 -4.522 15.926 -1.789 37 HB3 GLU 5 1HB GLU 5 -5.941 15.508 -2.744 38 HG2 GLU 5 2HG GLU 5 -6.946 17.531 -2.397 39 HG3 GLU 5 1HG GLU 5 -6.109 17.807 -0.868 40 H GLN 6 H GLN 6 -7.317 15.801 1.566 41 HA GLN 6 HA GLN 6 -4.911 16.968 2.753 42 HB2 GLN 6 2HB GLN 6 -7.274 18.050 2.761 43 HB3 GLN 6 1HB GLN 6 -7.623 16.902 4.045 44 HG2 GLN 6 2HG GLN 6 -5.232 18.681 4.227 45 HG3 GLN 6 1HG GLN 6 -6.834 19.292 4.628 46 HE21 GLN 6 1HE2 GLN 6 -7.797 16.810 5.718 47 HE22 GLN 6 2HE2 GLN 6 -6.985 16.580 7.229 48 H GLU 7 H GLU 7 -7.439 14.642 3.534 49 HA GLU 7 HA GLU 7 -6.105 13.634 5.858 50 HB2 GLU 7 2HB GLU 7 -8.116 11.865 4.774 51 HB3 GLU 7 1HB GLU 7 -8.119 12.767 6.287 52 HG2 GLU 7 2HG GLU 7 -8.666 14.179 3.726 53 HG3 GLU 7 1HG GLU 7 -9.937 13.221 4.484 54 H PHE 8 H PHE 8 -5.664 13.205 2.609 55 HA PHE 8 HA PHE 8 -4.453 10.547 2.942 56 HB2 PHE 8 2HB PHE 8 -5.124 11.533 0.218 57 HB3 PHE 8 1HB PHE 8 -5.103 9.886 0.827 58 HD1 PHE 8 1HD PHE 8 -7.097 8.792 1.035 59 HD2 PHE 8 2HD PHE 8 -7.059 13.036 1.187 60 HE1 PHE 8 1HE PHE 8 -9.552 8.809 1.075 61 HE2 PHE 8 2HE PHE 8 -9.516 13.060 1.237 62 HZ PHE 8 HZ PHE 8 -10.760 10.956 1.177 63 H ALA 9 H ALA 9 -2.753 11.976 3.744 64 HA ALA 9 HA ALA 9 -1.086 12.829 1.576 65 HB1 ALA 9 1HB ALA 9 -2.441 14.796 2.070 66 HB2 ALA 9 2HB ALA 9 -0.754 15.059 2.519 67 HB3 ALA 9 3HB ALA 9 -1.957 14.713 3.763 68 H LEU 10 H LEU 10 0.464 14.364 3.496 69 HA LEU 10 HA LEU 10 2.316 12.350 4.113 70 HB2 LEU 10 2HB LEU 10 2.061 15.241 4.701 71 HB3 LEU 10 1HB LEU 10 3.286 14.311 5.546 72 HG LEU 10 HG LEU 10 3.788 13.525 3.015 73 HD11 LEU 10 1HD1 LEU 10 2.870 16.385 2.774 74 HD12 LEU 10 2HD1 LEU 10 2.052 14.981 2.091 75 HD13 LEU 10 3HD1 LEU 10 3.662 15.427 1.521 76 HD21 LEU 10 1HD2 LEU 10 4.832 15.986 4.409 77 HD22 LEU 10 2HD2 LEU 10 5.599 15.207 3.025 78 HD23 LEU 10 3HD2 LEU 10 5.450 14.341 4.554 79 H GLY 11 H GLY 11 2.045 10.826 5.553 80 HA2 GLY 11 2HA GLY 11 1.853 9.820 7.598 81 HA3 GLY 11 1HA GLY 11 1.914 11.419 8.323 82 H GLY 12 H GLY 12 -0.512 11.064 5.988 83 HA2 GLY 12 2HA GLY 12 -2.565 11.448 7.928 84 HA3 GLY 12 1HA GLY 12 -2.793 11.208 6.198 85 H ARG 13 H ARG 13 -4.151 10.088 8.594 86 HA ARG 13 HA ARG 13 -3.575 7.237 8.255 87 HB2 ARG 13 2HB ARG 13 -3.759 8.038 10.573 88 HB3 ARG 13 1HB ARG 13 -5.374 8.649 10.246 89 HG2 ARG 13 2HG ARG 13 -6.324 6.612 10.407 90 HG3 ARG 13 1HG ARG 13 -4.952 5.796 9.658 91 HD2 ARG 13 2HD ARG 13 -5.101 5.074 11.932 92 HD3 ARG 13 1HD ARG 13 -3.683 6.108 11.767 93 HE ARG 13 HE ARG 13 -6.233 7.100 12.876 94 HH11 ARG 13 1HH1 ARG 13 -2.764 6.708 13.041 95 HH12 ARG 13 2HH1 ARG 13 -2.594 7.663 14.475 96 HH21 ARG 13 1HH2 ARG 13 -6.023 8.374 14.760 97 HH22 ARG 13 2HH2 ARG 13 -4.438 8.653 15.436 98 H CYS 14 H CYS 14 -4.658 6.262 6.714 99 HA CYS 14 HA CYS 14 -7.464 6.982 6.277 100 HB2 CYS 14 2HB CYS 14 -5.236 7.061 4.289 101 HB3 CYS 14 1HB CYS 14 -6.819 6.513 3.746 102 HG CYS 14 HG CYS 14 -5.932 9.591 4.904 103 H LEU 15 H LEU 15 -8.427 5.365 4.669 104 HA LEU 15 HA LEU 15 -7.651 2.679 5.568 105 HB2 LEU 15 2HB LEU 15 -10.284 3.841 4.688 106 HB3 LEU 15 1HB LEU 15 -10.007 2.111 4.718 107 HG LEU 15 HG LEU 15 -9.863 3.959 7.095 108 HD11 LEU 15 1HD1 LEU 15 -12.138 3.548 6.336 109 HD12 LEU 15 2HD1 LEU 15 -11.824 2.723 7.863 110 HD13 LEU 15 3HD1 LEU 15 -11.841 1.810 6.354 111 HD21 LEU 15 1HD2 LEU 15 -9.567 1.914 8.401 112 HD22 LEU 15 2HD2 LEU 15 -8.234 2.171 7.270 113 HD23 LEU 15 3HD2 LEU 15 -9.480 0.981 6.905 114 H ALA 16 H ALA 16 -7.512 0.996 3.990 115 HA ALA 16 HA ALA 16 -7.589 1.892 1.212 116 HB1 ALA 16 1HB ALA 16 -5.291 2.310 1.916 117 HB2 ALA 16 2HB ALA 16 -5.364 1.000 0.739 118 HB3 ALA 16 3HB ALA 16 -5.141 0.635 2.449 119 H PHE 17 H PHE 17 -7.882 0.221 -0.274 120 HA PHE 17 HA PHE 17 -9.028 -2.152 0.957 121 HB2 PHE 17 2HB PHE 17 -9.365 -0.737 -1.619 122 HB3 PHE 17 1HB PHE 17 -9.569 -2.487 -1.653 123 HD1 PHE 17 1HD PHE 17 -11.213 -3.532 -0.065 124 HD2 PHE 17 2HD PHE 17 -11.077 0.650 -0.798 125 HE1 PHE 17 1HE PHE 17 -13.500 -3.317 0.812 126 HE2 PHE 17 2HE PHE 17 -13.368 0.883 0.081 127 HZ PHE 17 HZ PHE 17 -14.578 -1.107 0.886 128 H HIS 18 H HIS 18 -7.597 -3.647 1.405 129 HA HIS 18 HA HIS 18 -5.662 -4.436 -0.655 130 HB2 HIS 18 2HB HIS 18 -4.908 -3.916 1.756 131 HB3 HIS 18 1HB HIS 18 -5.702 -5.426 2.195 132 HD2 HIS 18 2HD HIS 18 -4.532 -7.757 0.966 133 HE1 HIS 18 1HE HIS 18 -0.907 -5.743 0.106 134 HE2 HIS 18 2HE HIS 18 -2.102 -7.980 0.068 135 H GLY 19 H GLY 19 -6.689 -5.777 -1.963 136 HA2 GLY 19 2HA GLY 19 -7.658 -7.744 -2.660 137 HA3 GLY 19 1HA GLY 19 -7.540 -8.323 -1.000 138 HA PRO 20 HA PRO 20 -11.937 -7.584 -1.151 139 HB2 PRO 20 2HB PRO 20 -12.410 -9.261 1.026 140 HB3 PRO 20 1HB PRO 20 -12.399 -9.733 -0.671 141 HG2 PRO 20 2HG PRO 20 -10.566 -10.537 1.326 142 HG3 PRO 20 1HG PRO 20 -10.444 -10.833 -0.416 143 HD2 PRO 20 2HD PRO 20 -9.118 -8.754 1.247 144 HD3 PRO 20 1HD PRO 20 -8.560 -9.543 -0.244 145 H LEU 21 H LEU 21 -9.826 -6.792 1.496 146 HA LEU 21 HA LEU 21 -12.093 -5.391 2.743 147 HB2 LEU 21 2HB LEU 21 -10.019 -7.091 4.003 148 HB3 LEU 21 1HB LEU 21 -10.626 -5.712 4.902 149 HG LEU 21 HG LEU 21 -12.123 -8.130 3.959 150 HD11 LEU 21 1HD1 LEU 21 -11.840 -6.757 6.625 151 HD12 LEU 21 2HD1 LEU 21 -11.095 -8.283 6.148 152 HD13 LEU 21 3HD1 LEU 21 -12.847 -8.170 6.312 153 HD21 LEU 21 1HD2 LEU 21 -14.192 -7.071 4.605 154 HD22 LEU 21 2HD2 LEU 21 -13.417 -6.135 3.328 155 HD23 LEU 21 3HD2 LEU 21 -13.333 -5.581 5.000 156 H MET 22 H MET 22 -11.557 -3.729 4.236 157 HA MET 22 HA MET 22 -9.526 -1.933 3.182 158 HB2 MET 22 2HB MET 22 -12.193 -1.627 4.206 159 HB3 MET 22 1HB MET 22 -11.089 -0.737 5.249 160 HG2 MET 22 2HG MET 22 -10.172 0.375 3.219 161 HG3 MET 22 1HG MET 22 -11.434 -0.420 2.275 162 HE1 MET 22 1HE MET 22 -14.074 -0.003 2.715 163 HE2 MET 22 2HE MET 22 -14.675 1.111 3.943 164 HE3 MET 22 3HE MET 22 -13.832 -0.361 4.427 165 H TYR 23 H TYR 23 -7.784 -1.351 4.384 166 HA TYR 23 HA TYR 23 -7.741 -2.244 7.188 167 HB2 TYR 23 2HB TYR 23 -5.554 -2.514 5.122 168 HB3 TYR 23 1HB TYR 23 -5.281 -2.710 6.851 169 HD1 TYR 23 1HD TYR 23 -6.558 -4.255 3.827 170 HD2 TYR 23 2HD TYR 23 -6.388 -4.572 8.067 171 HE1 TYR 23 1HE TYR 23 -7.258 -6.608 3.674 172 HE2 TYR 23 2HE TYR 23 -7.075 -6.928 7.923 173 HH TYR 23 HH TYR 23 -8.219 -8.413 6.419 174 H GLU 24 H GLU 24 -6.719 -0.928 8.650 175 HA GLU 24 HA GLU 24 -6.578 1.831 7.981 176 HB2 GLU 24 2HB GLU 24 -5.913 0.236 10.445 177 HB3 GLU 24 1HB GLU 24 -5.595 1.966 10.361 178 HG2 GLU 24 2HG GLU 24 -7.832 2.509 10.261 179 HG3 GLU 24 1HG GLU 24 -8.306 0.909 9.696 180 H ALA 25 H ALA 25 -4.854 3.035 7.394 181 HA ALA 25 HA ALA 25 -2.175 1.968 7.818 182 HB1 ALA 25 1HB ALA 25 -2.914 1.038 5.670 183 HB2 ALA 25 2HB ALA 25 -1.549 2.139 5.495 184 HB3 ALA 25 3HB ALA 25 -3.173 2.674 5.068 185 H LYS 26 H LYS 26 -0.511 3.444 7.524 186 HA LYS 26 HA LYS 26 -1.346 6.266 7.604 187 HB2 LYS 26 2HB LYS 26 -0.294 5.385 9.693 188 HB3 LYS 26 1HB LYS 26 1.152 5.002 8.769 189 HG2 LYS 26 2HG LYS 26 1.432 7.391 8.253 190 HG3 LYS 26 1HG LYS 26 0.005 7.749 9.230 191 HD2 LYS 26 2HD LYS 26 1.072 6.945 11.212 192 HD3 LYS 26 1HD LYS 26 2.440 6.329 10.285 193 HE2 LYS 26 2HE LYS 26 3.294 8.297 11.119 194 HE3 LYS 26 1HE LYS 26 2.703 8.801 9.537 195 HZ1 LYS 26 1HZ LYS 26 0.958 9.044 11.908 196 HZ2 LYS 26 2HZ LYS 26 0.932 9.934 10.466 197 HZ3 LYS 26 3HZ LYS 26 2.149 10.212 11.613 198 H ILE 27 H ILE 27 -0.791 7.413 5.888 199 HA ILE 27 HA ILE 27 0.831 6.282 3.830 200 HB ILE 27 HB ILE 27 -0.162 9.124 4.009 201 HG12 ILE 27 2HG1 ILE 27 -1.588 7.125 2.345 202 HG13 ILE 27 1HG1 ILE 27 -1.782 6.943 4.086 203 HG21 ILE 27 1HG2 ILE 27 0.048 9.074 1.572 204 HG22 ILE 27 2HG2 ILE 27 0.634 7.411 1.654 205 HG23 ILE 27 3HG2 ILE 27 1.594 8.720 2.345 206 HD11 ILE 27 1HD1 ILE 27 -2.425 9.401 2.471 207 HD12 ILE 27 2HD1 ILE 27 -2.611 9.239 4.216 208 HD13 ILE 27 3HD1 ILE 27 -3.583 8.246 3.131 209 H LEU 28 H LEU 28 2.914 6.287 3.661 210 HA LEU 28 HA LEU 28 4.451 8.164 5.279 211 HB2 LEU 28 2HB LEU 28 4.699 5.440 4.811 212 HB3 LEU 28 1HB LEU 28 5.997 6.158 3.870 213 HG LEU 28 HG LEU 28 6.474 7.488 6.049 214 HD11 LEU 28 1HD1 LEU 28 4.931 5.126 7.101 215 HD12 LEU 28 2HD1 LEU 28 4.548 6.835 7.312 216 HD13 LEU 28 3HD1 LEU 28 5.980 6.154 8.079 217 HD21 LEU 28 1HD2 LEU 28 8.003 5.725 6.789 218 HD22 LEU 28 2HD2 LEU 28 8.007 5.896 5.035 219 HD23 LEU 28 3HD2 LEU 28 7.139 4.557 5.787 220 H LYS 29 H LYS 29 3.709 7.396 1.982 221 HA LYS 29 HA LYS 29 5.313 9.694 1.162 222 HB2 LYS 29 2HB LYS 29 5.452 7.489 -0.780 223 HB3 LYS 29 1HB LYS 29 6.672 8.659 -0.313 224 HG2 LYS 29 2HG LYS 29 7.078 7.339 1.747 225 HG3 LYS 29 1HG LYS 29 5.960 6.122 1.131 226 HD2 LYS 29 2HD LYS 29 7.413 5.385 -0.453 227 HD3 LYS 29 1HD LYS 29 8.120 6.986 -0.698 228 HE2 LYS 29 2HE LYS 29 9.212 6.734 1.539 229 HE3 LYS 29 1HE LYS 29 8.659 5.060 1.550 230 HZ1 LYS 29 1HZ LYS 29 10.520 6.309 -0.399 231 HZ2 LYS 29 2HZ LYS 29 9.892 4.751 -0.568 232 HZ3 LYS 29 3HZ LYS 29 10.898 5.121 0.749 233 H ILE 30 H ILE 30 4.256 10.950 -0.190 234 HA ILE 30 HA ILE 30 1.694 10.048 -1.266 235 HB ILE 30 HB ILE 30 2.929 12.797 -1.529 236 HG12 ILE 30 2HG1 ILE 30 2.810 12.496 0.810 237 HG13 ILE 30 1HG1 ILE 30 1.362 13.400 0.373 238 HG21 ILE 30 1HG2 ILE 30 1.095 12.288 -3.062 239 HG22 ILE 30 2HG2 ILE 30 0.658 13.541 -1.900 240 HG23 ILE 30 3HG2 ILE 30 0.065 11.894 -1.685 241 HD11 ILE 30 1HD1 ILE 30 1.468 10.435 0.831 242 HD12 ILE 30 2HD1 ILE 30 0.034 11.403 0.492 243 HD13 ILE 30 3HD1 ILE 30 0.919 11.634 2.000 244 H TRP 31 H TRP 31 1.281 9.900 -3.488 245 HA TRP 31 HA TRP 31 3.714 10.080 -5.135 246 HB2 TRP 31 2HB TRP 31 2.922 7.805 -4.977 247 HB3 TRP 31 1HB TRP 31 1.303 8.303 -5.481 248 HD1 TRP 31 HD TRP 31 0.884 8.554 -8.039 249 HE1 TRP 31 1HE TRP 31 2.324 8.171 -10.163 250 HE3 TRP 31 3HE TRP 31 5.371 8.126 -5.766 251 HZ2 TRP 31 2HZ TRP 31 5.065 7.778 -10.725 252 HZ3 TRP 31 3HZ TRP 31 7.375 7.772 -7.144 253 HH2 TRP 31 HH TRP 31 7.208 7.602 -9.566 254 H ASP 32 H ASP 32 3.719 11.549 -6.674 255 HA ASP 32 HA ASP 32 1.125 12.532 -7.668 256 HB2 ASP 32 2HB ASP 32 2.841 14.107 -6.343 257 HB3 ASP 32 1HB ASP 32 3.537 14.252 -7.954 258 HA PRO 33 HA PRO 33 2.741 10.569 -11.361 259 HB2 PRO 33 2HB PRO 33 0.432 10.614 -12.734 260 HB3 PRO 33 1HB PRO 33 0.692 9.501 -11.386 261 HG2 PRO 33 2HG PRO 33 -0.765 12.120 -11.422 262 HG3 PRO 33 1HG PRO 33 -1.252 10.578 -10.687 263 HD2 PRO 33 2HD PRO 33 -0.128 12.612 -9.267 264 HD3 PRO 33 1HD PRO 33 0.070 10.901 -8.835 265 H SER 34 H SER 34 2.695 13.603 -10.803 266 HA SER 34 HA SER 34 2.148 14.750 -13.391 267 HB2 SER 34 2HB SER 34 3.415 16.734 -12.184 268 HB3 SER 34 1HB SER 34 1.769 16.301 -11.718 269 HG SER 34 HG SER 34 2.460 15.634 -9.843 270 H SER 35 H SER 35 5.022 13.965 -11.481 271 HA SER 35 HA SER 35 6.623 14.209 -13.929 272 HB2 SER 35 2HB SER 35 7.560 14.885 -11.135 273 HB3 SER 35 1HB SER 35 8.495 15.038 -12.624 274 HG SER 35 HG SER 35 6.882 16.548 -13.345 275 H LYS 36 H LYS 36 5.701 12.390 -11.197 276 HA LYS 36 HA LYS 36 5.778 10.126 -11.014 277 HB2 LYS 36 2HB LYS 36 6.702 10.013 -13.393 278 HB3 LYS 36 1HB LYS 36 8.290 9.953 -12.637 279 HG2 LYS 36 2HG LYS 36 7.781 7.956 -11.519 280 HG3 LYS 36 1HG LYS 36 6.073 8.081 -11.944 281 HD2 LYS 36 2HD LYS 36 8.272 7.787 -13.994 282 HD3 LYS 36 1HD LYS 36 7.418 6.409 -13.295 283 HE2 LYS 36 2HE LYS 36 5.274 7.541 -14.052 284 HE3 LYS 36 1HE LYS 36 6.295 8.628 -14.992 285 HZ1 LYS 36 1HZ LYS 36 6.841 7.004 -16.451 286 HZ2 LYS 36 2HZ LYS 36 5.327 6.398 -15.992 287 HZ3 LYS 36 3HZ LYS 36 6.738 5.758 -15.302 288 H MET 37 H MET 37 6.727 12.117 -9.439 289 HA MET 37 HA MET 37 8.911 10.892 -7.995 290 HB2 MET 37 2HB MET 37 7.791 13.656 -7.555 291 HB3 MET 37 1HB MET 37 9.360 13.031 -7.075 292 HG2 MET 37 2HG MET 37 10.218 13.193 -9.244 293 HG3 MET 37 1HG MET 37 8.613 13.366 -9.953 294 HE1 MET 37 1HE MET 37 7.270 15.476 -7.934 295 HE2 MET 37 2HE MET 37 7.111 15.574 -9.686 296 HE3 MET 37 3HE MET 37 7.621 16.990 -8.766 297 H TYR 38 H TYR 38 8.456 11.572 -5.552 298 HA TYR 38 HA TYR 38 5.670 11.314 -4.879 299 HB2 TYR 38 2HB TYR 38 5.974 9.344 -3.448 300 HB3 TYR 38 1HB TYR 38 6.294 8.962 -5.130 301 HD1 TYR 38 1HD TYR 38 7.826 9.474 -1.825 302 HD2 TYR 38 2HD TYR 38 8.428 8.169 -5.824 303 HE1 TYR 38 1HE TYR 38 9.947 8.448 -1.164 304 HE2 TYR 38 2HE TYR 38 10.562 7.145 -5.174 305 HH TYR 38 HH TYR 38 11.776 6.422 -3.349 306 H THR 39 H THR 39 5.425 11.732 -2.480 307 HA THR 39 HA THR 39 7.827 13.103 -1.428 308 HB THR 39 HB THR 39 6.591 14.874 -0.612 309 HG1 THR 39 1HG THR 39 4.190 14.829 -0.745 310 HG21 THR 39 1HG2 THR 39 5.265 15.723 -2.511 311 HG22 THR 39 2HG2 THR 39 5.329 14.114 -3.233 312 HG23 THR 39 3HG2 THR 39 6.814 15.037 -3.000 313 H SER 40 H SER 40 8.608 12.032 0.128 314 HA SER 40 HA SER 40 6.880 10.377 1.806 315 HB2 SER 40 2HB SER 40 9.025 9.530 0.571 316 HB3 SER 40 1HB SER 40 9.880 10.298 1.907 317 HG SER 40 HG SER 40 7.766 8.743 2.712 318 H ILE 41 H ILE 41 7.898 10.145 4.132 319 HA ILE 41 HA ILE 41 8.530 12.858 5.116 320 HB ILE 41 HB ILE 41 7.015 10.920 6.826 321 HG12 ILE 41 2HG1 ILE 41 5.284 12.832 5.450 322 HG13 ILE 41 1HG1 ILE 41 5.981 11.629 4.368 323 HG21 ILE 41 1HG2 ILE 41 6.994 13.928 6.669 324 HG22 ILE 41 2HG2 ILE 41 7.916 12.955 7.816 325 HG23 ILE 41 3HG2 ILE 41 6.154 12.940 7.866 326 HD11 ILE 41 1HD1 ILE 41 5.128 9.853 5.818 327 HD12 ILE 41 2HD1 ILE 41 3.839 10.885 5.198 328 HD13 ILE 41 3HD1 ILE 41 4.395 11.070 6.862 329 HA PRO 42 HA PRO 42 12.031 10.869 7.001 330 HB2 PRO 42 2HB PRO 42 12.000 13.112 8.907 331 HB3 PRO 42 1HB PRO 42 13.244 12.647 7.744 332 HG2 PRO 42 2HG PRO 42 11.716 14.843 7.419 333 HG3 PRO 42 1HG PRO 42 12.311 13.888 6.049 334 HD2 PRO 42 2HD PRO 42 9.595 13.947 7.286 335 HD3 PRO 42 1HD PRO 42 10.055 13.794 5.579 336 H ASN 43 H ASN 43 11.612 9.133 8.218 337 HA ASN 43 HA ASN 43 10.303 9.535 10.828 338 HB2 ASN 43 2HB ASN 43 8.993 8.204 9.042 339 HB3 ASN 43 1HB ASN 43 10.194 6.939 9.288 340 HD21 ASN 43 1HD2 ASN 43 8.729 5.495 10.119 341 HD22 ASN 43 2HD2 ASN 43 8.027 5.673 11.687 342 H ASP 44 H ASP 44 13.119 9.518 9.848 343 HA ASP 44 HA ASP 44 15.182 8.820 10.458 344 HB2 ASP 44 2HB ASP 44 14.406 9.578 12.652 345 HB3 ASP 44 1HB ASP 44 13.753 7.975 12.981 346 H LYS 45 H LYS 45 15.216 7.229 8.816 347 HA LYS 45 HA LYS 45 14.544 4.496 9.507 348 HB2 LYS 45 2HB LYS 45 16.123 5.050 7.064 349 HB3 LYS 45 1HB LYS 45 14.718 4.015 7.279 350 HG2 LYS 45 2HG LYS 45 13.507 5.560 6.259 351 HG3 LYS 45 1HG LYS 45 13.798 6.633 7.627 352 HD2 LYS 45 2HD LYS 45 15.359 7.838 6.536 353 HD3 LYS 45 1HD LYS 45 15.977 6.441 5.657 354 HE2 LYS 45 2HE LYS 45 13.797 6.535 4.334 355 HE3 LYS 45 1HE LYS 45 13.589 8.138 5.038 356 HZ1 LYS 45 1HZ LYS 45 16.076 7.421 3.627 357 HZ2 LYS 45 2HZ LYS 45 15.436 8.960 3.929 358 HZ3 LYS 45 3HZ LYS 45 14.715 7.946 2.768 359 HA PRO 46 HA PRO 46 18.375 3.568 11.537 360 HB2 PRO 46 2HB PRO 46 17.891 0.980 10.116 361 HB3 PRO 46 1HB PRO 46 18.365 1.263 11.797 362 HG2 PRO 46 2HG PRO 46 15.844 0.664 11.184 363 HG3 PRO 46 1HG PRO 46 16.213 1.861 12.435 364 HD2 PRO 46 2HD PRO 46 15.174 2.263 9.686 365 HD3 PRO 46 1HD PRO 46 14.926 3.245 11.144 366 H GLY 47 H GLY 47 17.906 2.526 8.159 367 HA2 GLY 47 2HA GLY 47 20.800 2.866 7.729 368 HA3 GLY 47 1HA GLY 47 19.720 1.934 6.704 369 H GLY 48 H GLY 48 19.474 5.285 7.944 370 HA2 GLY 48 2HA GLY 48 20.297 6.673 5.720 371 HA3 GLY 48 1HA GLY 48 18.644 6.206 5.354 372 H SER 49 H SER 49 20.243 7.335 8.322 373 HA SER 49 HA SER 49 18.032 9.171 8.793 374 HB2 SER 49 2HB SER 49 20.444 8.553 10.511 375 HB3 SER 49 1HB SER 49 19.020 9.469 11.004 376 HG SER 49 HG SER 49 17.987 7.676 11.343 377 H SER 50 H SER 50 18.898 11.259 10.013 378 HA SER 50 HA SER 50 19.747 13.341 9.827 379 HB2 SER 50 2HB SER 50 22.222 12.124 8.621 380 HB3 SER 50 1HB SER 50 22.089 13.531 9.676 381 HG SER 50 HG SER 50 22.275 12.244 11.318 382 H GLN 51 H GLN 51 21.622 12.236 7.072 383 HA GLN 51 HA GLN 51 20.936 14.440 5.474 384 HB2 GLN 51 2HB GLN 51 21.903 11.839 4.327 385 HB3 GLN 51 1HB GLN 51 22.265 13.478 3.798 386 HG2 GLN 51 2HG GLN 51 23.345 13.620 6.207 387 HG3 GLN 51 1HG GLN 51 23.455 11.874 5.989 388 HE21 GLN 51 1HE2 GLN 51 25.631 11.703 5.751 389 HE22 GLN 51 2HE2 GLN 51 26.518 12.421 4.435 390 H ALA 52 H ALA 52 19.928 11.031 5.193 391 HA ALA 52 HA ALA 52 17.946 11.746 3.196 392 HB1 ALA 52 1HB ALA 52 19.286 9.720 2.905 393 HB2 ALA 52 2HB ALA 52 17.563 9.353 3.002 394 HB3 ALA 52 3HB ALA 52 18.608 9.060 4.393 395 H THR 53 H THR 53 17.822 12.382 6.247 396 HA THR 53 HA THR 53 14.983 11.774 6.429 397 HB THR 53 HB THR 53 16.961 10.925 8.552 398 HG1 THR 53 1HG THR 53 16.655 9.228 7.235 399 HG21 THR 53 1HG2 THR 53 14.953 10.251 9.866 400 HG22 THR 53 2HG2 THR 53 13.955 11.153 8.724 401 HG23 THR 53 3HG2 THR 53 15.145 11.996 9.720 402 H LYS 54 H LYS 54 14.749 13.982 6.019 403 HA LYS 54 HA LYS 54 13.963 15.612 7.973 404 HB2 LYS 54 2HB LYS 54 15.638 17.174 8.598 405 HB3 LYS 54 1HB LYS 54 16.290 15.572 8.895 406 HG2 LYS 54 2HG LYS 54 17.505 15.779 6.707 407 HG3 LYS 54 1HG LYS 54 17.005 17.474 6.681 408 HD2 LYS 54 2HD LYS 54 18.040 17.712 8.963 409 HD3 LYS 54 1HD LYS 54 18.702 16.092 8.758 410 HE2 LYS 54 2HE LYS 54 19.436 18.632 7.416 411 HE3 LYS 54 1HE LYS 54 20.469 17.345 8.032 412 HZ1 LYS 54 1HZ LYS 54 20.686 16.876 5.860 413 HZ2 LYS 54 2HZ LYS 54 19.242 17.655 5.422 414 HZ3 LYS 54 3HZ LYS 54 19.202 16.085 6.060 415 H GLU 55 H GLU 55 15.483 15.341 4.884 416 HA GLU 55 HA GLU 55 13.900 17.647 3.980 417 HB2 GLU 55 2HB GLU 55 16.757 16.985 3.296 418 HB3 GLU 55 1HB GLU 55 15.772 18.037 2.286 419 HG2 GLU 55 2HG GLU 55 15.737 19.725 3.846 420 HG3 GLU 55 1HG GLU 55 16.021 18.629 5.199 421 H ILE 56 H ILE 56 12.271 16.288 3.262 422 HA ILE 56 HA ILE 56 12.975 14.432 1.103 423 HB ILE 56 HB ILE 56 10.454 14.652 2.739 424 HG12 ILE 56 2HG1 ILE 56 10.885 12.460 3.447 425 HG13 ILE 56 1HG1 ILE 56 11.909 12.109 2.064 426 HG21 ILE 56 1HG2 ILE 56 9.457 12.999 1.260 427 HG22 ILE 56 2HG2 ILE 56 10.873 13.080 0.210 428 HG23 ILE 56 3HG2 ILE 56 9.832 14.493 0.402 429 HD11 ILE 56 1HD1 ILE 56 13.698 13.408 3.035 430 HD12 ILE 56 2HD1 ILE 56 13.141 12.182 4.173 431 HD13 ILE 56 3HD1 ILE 56 12.663 13.866 4.387 432 H LYS 57 H LYS 57 13.228 15.611 -0.642 433 HA LYS 57 HA LYS 57 11.165 17.543 -1.408 434 HB2 LYS 57 2HB LYS 57 12.871 17.683 -3.462 435 HB3 LYS 57 1HB LYS 57 13.167 18.554 -1.964 436 HG2 LYS 57 2HG LYS 57 14.270 15.912 -1.786 437 HG3 LYS 57 1HG LYS 57 14.855 16.717 -3.242 438 HD2 LYS 57 2HD LYS 57 15.733 18.534 -1.993 439 HD3 LYS 57 1HD LYS 57 14.882 18.030 -0.533 440 HE2 LYS 57 2HE LYS 57 17.163 17.434 -0.251 441 HE3 LYS 57 1HE LYS 57 16.279 15.940 -0.557 442 HZ1 LYS 57 1HZ LYS 57 18.447 16.235 -1.772 443 HZ2 LYS 57 2HZ LYS 57 17.685 17.424 -2.708 444 HZ3 LYS 57 3HZ LYS 57 17.115 15.825 -2.737 445 HA PRO 58 HA PRO 58 9.046 14.713 -4.073 446 HB2 PRO 58 2HB PRO 58 9.587 16.544 -6.360 447 HB3 PRO 58 1HB PRO 58 8.057 15.854 -5.807 448 HG2 PRO 58 2HG PRO 58 8.674 18.413 -5.327 449 HG3 PRO 58 1HG PRO 58 7.787 17.436 -4.143 450 HD2 PRO 58 2HD PRO 58 10.627 18.317 -4.124 451 HD3 PRO 58 1HD PRO 58 9.519 18.035 -2.770 452 H GLN 59 H GLN 59 10.282 12.956 -4.278 453 HA GLN 59 HA GLN 59 12.611 13.040 -6.068 454 HB2 GLN 59 2HB GLN 59 11.958 11.467 -3.616 455 HB3 GLN 59 1HB GLN 59 13.014 10.742 -4.821 456 HG2 GLN 59 2HG GLN 59 14.744 11.959 -4.160 457 HG3 GLN 59 1HG GLN 59 13.814 13.453 -4.234 458 HE21 GLN 59 1HE2 GLN 59 12.871 10.779 -2.203 459 HE22 GLN 59 2HE2 GLN 59 13.229 11.548 -0.700 460 H LYS 60 H LYS 60 12.732 11.753 -7.770 461 HA LYS 60 HA LYS 60 10.406 10.546 -8.821 462 HB2 LYS 60 2HB LYS 60 12.249 11.758 -10.117 463 HB3 LYS 60 1HB LYS 60 13.227 10.320 -9.870 464 HG2 LYS 60 2HG LYS 60 11.661 8.984 -11.128 465 HG3 LYS 60 1HG LYS 60 10.563 10.358 -11.279 466 HD2 LYS 60 2HD LYS 60 13.376 10.270 -12.372 467 HD3 LYS 60 1HD LYS 60 11.917 9.959 -13.314 468 HE2 LYS 60 2HE LYS 60 11.352 12.141 -13.407 469 HE3 LYS 60 1HE LYS 60 11.941 12.476 -11.782 470 HZ1 LYS 60 1HZ LYS 60 13.273 13.619 -13.415 471 HZ2 LYS 60 2HZ LYS 60 13.617 12.163 -14.213 472 HZ3 LYS 60 3HZ LYS 60 14.208 12.436 -12.644 473 H LEU 61 H LEU 61 10.152 8.375 -9.283 474 HA LEU 61 HA LEU 61 10.794 6.620 -7.262 475 HB2 LEU 61 2HB LEU 61 9.765 6.366 -10.014 476 HB3 LEU 61 1HB LEU 61 10.327 4.898 -9.224 477 HG LEU 61 HG LEU 61 8.138 6.758 -8.301 478 HD11 LEU 61 1HD1 LEU 61 7.580 5.134 -10.061 479 HD12 LEU 61 2HD1 LEU 61 6.752 4.795 -8.542 480 HD13 LEU 61 3HD1 LEU 61 8.147 3.828 -9.014 481 HD21 LEU 61 1HD2 LEU 61 9.435 6.117 -6.375 482 HD22 LEU 61 2HD2 LEU 61 9.397 4.425 -6.870 483 HD23 LEU 61 3HD2 LEU 61 7.907 5.232 -6.382 484 H GLY 62 H GLY 62 12.448 5.559 -6.699 485 HA2 GLY 62 2HA GLY 62 14.950 5.627 -7.867 486 HA3 GLY 62 1HA GLY 62 14.442 4.455 -6.668 487 H GLU 63 H GLU 63 15.970 3.128 -7.853 488 HA GLU 63 HA GLU 63 15.571 2.349 -10.542 489 HB2 GLU 63 2HB GLU 63 17.003 0.579 -8.627 490 HB3 GLU 63 1HB GLU 63 17.442 1.051 -10.263 491 HG2 GLU 63 2HG GLU 63 17.427 3.155 -8.183 492 HG3 GLU 63 1HG GLU 63 18.712 1.948 -8.125 493 H ASP 64 H ASP 64 14.515 0.928 -7.473 494 HA ASP 64 HA ASP 64 13.112 -1.156 -9.039 495 HB2 ASP 64 2HB ASP 64 15.229 -1.701 -7.444 496 HB3 ASP 64 1HB ASP 64 13.922 -1.848 -6.276 497 H GLU 65 H GLU 65 12.241 1.426 -8.000 498 HA GLU 65 HA GLU 65 10.328 0.650 -5.914 499 HB2 GLU 65 2HB GLU 65 11.635 3.144 -6.813 500 HB3 GLU 65 1HB GLU 65 10.059 3.284 -6.034 501 HG2 GLU 65 2HG GLU 65 10.843 2.469 -4.011 502 HG3 GLU 65 1HG GLU 65 12.247 1.703 -4.746 503 H SER 66 H SER 66 10.398 0.465 -9.007 504 HA SER 66 HA SER 66 8.540 1.911 -10.329 505 HB2 SER 66 2HB SER 66 8.360 -0.965 -10.899 506 HB3 SER 66 1HB SER 66 8.849 0.370 -11.947 507 HG SER 66 HG SER 66 10.769 -0.469 -11.654 508 H ILE 67 H ILE 67 6.525 2.376 -10.005 509 HA ILE 67 HA ILE 67 4.809 0.784 -8.274 510 HB ILE 67 HB ILE 67 4.464 3.455 -9.627 511 HG12 ILE 67 2HG1 ILE 67 4.742 2.804 -6.703 512 HG13 ILE 67 1HG1 ILE 67 6.095 3.253 -7.740 513 HG21 ILE 67 1HG2 ILE 67 2.578 2.057 -7.747 514 HG22 ILE 67 2HG2 ILE 67 2.292 2.469 -9.437 515 HG23 ILE 67 3HG2 ILE 67 2.461 3.748 -8.237 516 HD11 ILE 67 1HD1 ILE 67 5.261 5.140 -6.462 517 HD12 ILE 67 2HD1 ILE 67 3.679 4.952 -7.218 518 HD13 ILE 67 3HD1 ILE 67 5.082 5.386 -8.197 519 HA PRO 68 HA PRO 68 2.503 -1.346 -11.501 520 HB2 PRO 68 2HB PRO 68 0.168 -0.348 -9.919 521 HB3 PRO 68 1HB PRO 68 0.474 -1.965 -10.570 522 HG2 PRO 68 2HG PRO 68 0.867 -1.440 -7.985 523 HG3 PRO 68 1HG PRO 68 1.965 -2.510 -8.875 524 HD2 PRO 68 2HD PRO 68 2.385 0.272 -7.927 525 HD3 PRO 68 1HD PRO 68 3.567 -1.027 -8.182 526 H GLU 69 H GLU 69 2.098 -0.549 -13.449 527 HA GLU 69 HA GLU 69 1.872 2.196 -13.988 528 HB2 GLU 69 2HB GLU 69 1.379 -0.208 -15.732 529 HB3 GLU 69 1HB GLU 69 1.458 1.444 -16.329 530 HG2 GLU 69 2HG GLU 69 3.707 0.504 -14.667 531 HG3 GLU 69 1HG GLU 69 3.561 -0.177 -16.288 532 H GLU 70 H GLU 70 -0.548 0.194 -12.873 533 HA GLU 70 HA GLU 70 -2.660 1.569 -14.349 534 HB2 GLU 70 2HB GLU 70 -4.196 -0.001 -13.228 535 HB3 GLU 70 1HB GLU 70 -2.929 -0.827 -14.125 536 HG2 GLU 70 2HG GLU 70 -1.744 -1.317 -12.100 537 HG3 GLU 70 1HG GLU 70 -2.873 -0.347 -11.156 538 H ILE 71 H ILE 71 -0.965 1.806 -11.420 539 HA ILE 71 HA ILE 71 -3.061 3.570 -10.331 540 HB ILE 71 HB ILE 71 -2.384 3.051 -8.098 541 HG12 ILE 71 2HG1 ILE 71 -0.241 1.275 -9.294 542 HG13 ILE 71 1HG1 ILE 71 0.053 2.824 -8.510 543 HG21 ILE 71 1HG2 ILE 71 -3.959 1.500 -9.001 544 HG22 ILE 71 2HG2 ILE 71 -2.797 0.584 -8.040 545 HG23 ILE 71 3HG2 ILE 71 -2.682 0.582 -9.801 546 HD11 ILE 71 1HD1 ILE 71 0.534 0.879 -7.073 547 HD12 ILE 71 2HD1 ILE 71 -1.168 0.424 -7.158 548 HD13 ILE 71 3HD1 ILE 71 -0.697 1.945 -6.400 549 H ILE 72 H ILE 72 0.275 3.180 -11.148 550 HA ILE 72 HA ILE 72 1.488 5.337 -9.842 551 HB ILE 72 HB ILE 72 2.519 3.462 -11.145 552 HG12 ILE 72 2HG1 ILE 72 3.564 5.793 -10.373 553 HG13 ILE 72 1HG1 ILE 72 4.507 4.551 -11.190 554 HG21 ILE 72 1HG2 ILE 72 1.314 3.631 -13.205 555 HG22 ILE 72 2HG2 ILE 72 3.034 3.866 -13.512 556 HG23 ILE 72 3HG2 ILE 72 1.948 5.256 -13.477 557 HD11 ILE 72 1HD1 ILE 72 4.154 5.705 -13.320 558 HD12 ILE 72 2HD1 ILE 72 4.946 6.743 -12.132 559 HD13 ILE 72 3HD1 ILE 72 3.229 6.951 -12.481 560 H ASN 73 H ASN 73 -0.657 5.285 -12.544 561 HA ASN 73 HA ASN 73 0.056 7.996 -13.321 562 HB2 ASN 73 2HB ASN 73 -0.627 5.855 -14.797 563 HB3 ASN 73 1HB ASN 73 -2.206 6.609 -14.616 564 HD21 ASN 73 1HD2 ASN 73 0.907 6.802 -16.050 565 HD22 ASN 73 2HD2 ASN 73 0.598 8.180 -17.055 566 H GLY 74 H GLY 74 -1.373 7.076 -10.779 567 HA2 GLY 74 2HA GLY 74 -3.357 9.225 -10.847 568 HA3 GLY 74 1HA GLY 74 -3.993 7.614 -10.545 569 H LYS 75 H LYS 75 -2.159 10.251 -9.324 570 HA LYS 75 HA LYS 75 -0.864 10.286 -7.274 571 HB2 LYS 75 2HB LYS 75 -2.758 11.902 -7.564 572 HB3 LYS 75 1HB LYS 75 -3.746 10.833 -6.577 573 HG2 LYS 75 2HG LYS 75 -2.995 11.909 -4.793 574 HG3 LYS 75 1HG LYS 75 -1.395 11.245 -5.120 575 HD2 LYS 75 2HD LYS 75 -0.879 13.177 -6.533 576 HD3 LYS 75 1HD LYS 75 -2.487 13.834 -6.219 577 HE2 LYS 75 2HE LYS 75 -1.961 13.953 -3.824 578 HE3 LYS 75 1HE LYS 75 -0.347 13.326 -4.153 579 HZ1 LYS 75 1HZ LYS 75 -0.107 15.333 -5.675 580 HZ2 LYS 75 2HZ LYS 75 -0.087 15.620 -4.006 581 HZ3 LYS 75 3HZ LYS 75 -1.492 15.947 -4.907 582 H CYS 76 H CYS 76 -0.037 8.568 -6.304 583 HA CYS 76 HA CYS 76 -1.876 6.731 -4.927 584 HB2 CYS 76 2HB CYS 76 0.825 6.348 -6.157 585 HB3 CYS 76 1HB CYS 76 0.302 5.284 -4.855 586 HG CYS 76 HG CYS 76 -1.604 5.744 -7.650 587 H PHE 77 H PHE 77 -0.606 5.578 -3.075 588 HA PHE 77 HA PHE 77 0.892 7.483 -1.459 589 HB2 PHE 77 2HB PHE 77 -1.629 6.102 -0.526 590 HB3 PHE 77 1HB PHE 77 -0.579 7.105 0.471 591 HD1 PHE 77 1HD PHE 77 -3.384 7.050 -1.721 592 HD2 PHE 77 2HD PHE 77 -0.253 9.516 -0.236 593 HE1 PHE 77 1HE PHE 77 -4.635 9.047 -2.402 594 HE2 PHE 77 2HE PHE 77 -1.503 11.521 -0.905 595 HZ PHE 77 HZ PHE 77 -3.685 11.288 -2.009 596 H PHE 78 H PHE 78 2.631 6.467 -0.755 597 HA PHE 78 HA PHE 78 2.636 3.562 -0.606 598 HB2 PHE 78 2HB PHE 78 4.634 4.906 -1.441 599 HB3 PHE 78 1HB PHE 78 4.874 5.411 0.230 600 HD1 PHE 78 1HD PHE 78 4.734 2.457 -1.989 601 HD2 PHE 78 2HD PHE 78 5.977 4.013 1.771 602 HE1 PHE 78 1HE PHE 78 6.001 0.394 -1.556 603 HE2 PHE 78 2HE PHE 78 7.249 1.952 2.204 604 HZ PHE 78 HZ PHE 78 7.262 0.136 0.534 605 H ILE 79 H ILE 79 1.433 2.921 1.038 606 HA ILE 79 HA ILE 79 1.762 4.214 3.657 607 HB ILE 79 HB ILE 79 -0.305 3.320 4.317 608 HG12 ILE 79 2HG1 ILE 79 0.115 1.502 1.987 609 HG13 ILE 79 1HG1 ILE 79 -0.340 1.115 3.643 610 HG21 ILE 79 1HG2 ILE 79 -0.616 4.197 1.452 611 HG22 ILE 79 2HG2 ILE 79 -0.532 5.253 2.860 612 HG23 ILE 79 3HG2 ILE 79 -1.895 4.153 2.665 613 HD11 ILE 79 1HD1 ILE 79 -2.569 2.035 3.219 614 HD12 ILE 79 2HD1 ILE 79 -2.171 0.687 2.153 615 HD13 ILE 79 3HD1 ILE 79 -2.101 2.342 1.546 616 H HIS 80 H HIS 80 1.472 2.893 5.425 617 HA HIS 80 HA HIS 80 2.511 0.182 5.189 618 HB2 HIS 80 2HB HIS 80 4.433 1.295 5.874 619 HB3 HIS 80 1HB HIS 80 3.535 2.507 6.777 620 HD1 HIS 80 1HD HIS 80 5.157 -0.799 7.082 621 HD2 HIS 80 2HD HIS 80 2.716 1.704 9.323 622 HE1 HIS 80 1HE HIS 80 5.291 -1.674 9.452 623 HE2 HIS 80 2HE HIS 80 3.650 -0.260 10.747 624 H TYR 81 H TYR 81 0.774 -0.915 5.715 625 HA TYR 81 HA TYR 81 -1.502 -0.061 6.955 626 HB2 TYR 81 2HB TYR 81 -0.297 -2.831 6.879 627 HB3 TYR 81 1HB TYR 81 -1.937 -2.492 7.430 628 HD1 TYR 81 1HD TYR 81 0.141 -3.122 4.590 629 HD2 TYR 81 2HD TYR 81 -3.513 -1.298 5.789 630 HE1 TYR 81 1HE TYR 81 -0.640 -3.162 2.258 631 HE2 TYR 81 2HE TYR 81 -4.304 -1.346 3.463 632 HH TYR 81 HH TYR 81 -2.817 -3.157 1.048 633 H GLN 82 H GLN 82 -2.019 0.573 8.878 634 HA GLN 82 HA GLN 82 -0.261 0.733 11.057 635 HB2 GLN 82 2HB GLN 82 -3.262 0.964 10.888 636 HB3 GLN 82 1HB GLN 82 -2.374 1.244 12.376 637 HG2 GLN 82 2HG GLN 82 -1.122 2.788 10.391 638 HG3 GLN 82 1HG GLN 82 -2.859 3.015 10.194 639 HE21 GLN 82 1HE2 GLN 82 -3.332 2.511 13.063 640 HE22 GLN 82 2HE2 GLN 82 -2.838 3.955 13.884 641 H GLY 83 H GLY 83 0.480 -0.813 12.321 642 HA2 GLY 83 2HA GLY 83 0.165 -2.443 14.016 643 HA3 GLY 83 1HA GLY 83 -1.364 -2.883 13.268 644 H TRP 84 H TRP 84 0.514 -2.660 10.693 645 HA TRP 84 HA TRP 84 1.206 -5.500 10.828 646 HB2 TRP 84 2HB TRP 84 0.520 -3.672 8.550 647 HB3 TRP 84 1HB TRP 84 1.406 -5.168 8.256 648 HD1 TRP 84 HD TRP 84 -1.999 -3.965 8.221 649 HE1 TRP 84 1HE TRP 84 -3.704 -5.871 8.530 650 HE3 TRP 84 3HE TRP 84 1.156 -7.609 9.923 651 HZ2 TRP 84 2HZ TRP 84 -3.704 -8.569 9.371 652 HZ3 TRP 84 3HZ TRP 84 0.226 -9.821 10.461 653 HH2 TRP 84 HH TRP 84 -2.153 -10.292 10.193 654 H LYS 85 H LYS 85 3.065 -6.019 9.208 655 HA LYS 85 HA LYS 85 5.395 -4.725 10.317 656 HB2 LYS 85 2HB LYS 85 5.165 -7.208 10.082 657 HB3 LYS 85 1HB LYS 85 5.234 -7.004 8.338 658 HG2 LYS 85 2HG LYS 85 7.385 -7.662 9.079 659 HG3 LYS 85 1HG LYS 85 7.478 -5.959 8.618 660 HD2 LYS 85 2HD LYS 85 8.675 -6.212 10.672 661 HD3 LYS 85 1HD LYS 85 7.163 -5.387 11.048 662 HE2 LYS 85 2HE LYS 85 6.203 -7.588 11.700 663 HE3 LYS 85 1HE LYS 85 7.799 -8.302 11.465 664 HZ1 LYS 85 1HZ LYS 85 8.062 -7.826 13.615 665 HZ2 LYS 85 2HZ LYS 85 6.799 -6.697 13.644 666 HZ3 LYS 85 3HZ LYS 85 8.343 -6.234 13.100 667 H SER 86 H SER 86 7.269 -4.240 8.852 668 HA SER 86 HA SER 86 6.574 -2.274 6.957 669 HB2 SER 86 2HB SER 86 9.301 -3.490 7.001 670 HB3 SER 86 1HB SER 86 8.826 -1.790 6.935 671 HG SER 86 HG SER 86 8.429 -1.801 9.089 672 H SER 87 H SER 87 6.864 -5.666 6.656 673 HA SER 87 HA SER 87 7.614 -5.709 3.890 674 HB2 SER 87 2HB SER 87 6.247 -8.109 4.593 675 HB3 SER 87 1HB SER 87 7.983 -7.860 4.416 676 HG SER 87 HG SER 87 6.869 -8.548 6.581 677 H TRP 88 H TRP 88 4.882 -4.742 5.474 678 HA TRP 88 HA TRP 88 3.065 -5.607 3.363 679 HB2 TRP 88 2HB TRP 88 2.659 -4.629 6.159 680 HB3 TRP 88 1HB TRP 88 1.356 -4.458 4.987 681 HD1 TRP 88 HD TRP 88 2.743 -6.865 7.403 682 HE1 TRP 88 1HE TRP 88 1.687 -9.195 7.085 683 HE3 TRP 88 3HE TRP 88 0.520 -6.116 2.871 684 HZ2 TRP 88 2HZ TRP 88 0.102 -10.525 5.161 685 HZ3 TRP 88 3HZ TRP 88 -0.748 -7.966 1.859 686 HH2 TRP 88 HH TRP 88 -0.952 -10.122 2.977 687 H ASP 89 H ASP 89 5.151 -3.217 3.793 688 HA ASP 89 HA ASP 89 3.655 -0.854 3.327 689 HB2 ASP 89 2HB ASP 89 6.541 -1.587 2.794 690 HB3 ASP 89 1HB ASP 89 5.889 0.008 2.447 691 H GLU 90 H GLU 90 2.406 -0.546 1.588 692 HA GLU 90 HA GLU 90 3.423 -1.404 -1.035 693 HB2 GLU 90 2HB GLU 90 0.793 -2.064 0.228 694 HB3 GLU 90 1HB GLU 90 0.869 -1.846 -1.515 695 HG2 GLU 90 2HG GLU 90 2.992 -3.557 -0.657 696 HG3 GLU 90 1HG GLU 90 1.449 -4.146 -0.038 697 H TRP 91 H TRP 91 1.843 -0.529 -2.782 698 HA TRP 91 HA TRP 91 1.555 2.356 -2.312 699 HB2 TRP 91 2HB TRP 91 2.003 0.695 -4.788 700 HB3 TRP 91 1HB TRP 91 1.347 2.319 -4.905 701 HD1 TRP 91 HD TRP 91 4.554 0.457 -4.727 702 HE1 TRP 91 1HE TRP 91 6.528 2.110 -4.637 703 HE3 TRP 91 3HE TRP 91 1.973 4.772 -3.720 704 HZ2 TRP 91 2HZ TRP 91 6.924 4.871 -4.196 705 HZ3 TRP 91 3HZ TRP 91 3.245 6.871 -3.471 706 HH2 TRP 91 HH TRP 91 5.664 6.907 -3.698 707 H VAL 92 H VAL 92 -0.479 3.091 -2.046 708 HA VAL 92 HA VAL 92 -2.647 1.594 -3.366 709 HB VAL 92 HB VAL 92 -4.188 2.437 -1.615 710 HG11 VAL 92 1HG1 VAL 92 -3.323 0.171 -1.503 711 HG12 VAL 92 2HG1 VAL 92 -3.480 0.843 0.119 712 HG13 VAL 92 3HG1 VAL 92 -1.894 0.738 -0.642 713 HG21 VAL 92 1HG2 VAL 92 -3.261 3.278 0.483 714 HG22 VAL 92 2HG2 VAL 92 -2.891 4.354 -0.863 715 HG23 VAL 92 3HG2 VAL 92 -1.647 3.276 -0.229 716 H GLY 93 H GLY 93 -4.223 2.782 -4.442 717 HA2 GLY 93 2HA GLY 93 -3.507 5.624 -4.825 718 HA3 GLY 93 1HA GLY 93 -4.272 4.617 -6.049 719 H TYR 94 H TYR 94 -5.511 6.903 -5.626 720 HA TYR 94 HA TYR 94 -7.385 7.078 -3.554 721 HB2 TYR 94 2HB TYR 94 -7.256 8.184 -6.332 722 HB3 TYR 94 1HB TYR 94 -8.691 8.438 -5.344 723 HD1 TYR 94 1HD TYR 94 -7.871 9.060 -2.767 724 HD2 TYR 94 2HD TYR 94 -5.914 10.010 -6.409 725 HE1 TYR 94 1HE TYR 94 -6.789 10.962 -1.676 726 HE2 TYR 94 2HE TYR 94 -4.819 11.914 -5.342 727 HH TYR 94 HH TYR 94 -4.794 12.377 -1.971 728 H ASP 95 H ASP 95 -7.178 4.775 -5.845 729 HA ASP 95 HA ASP 95 -10.063 4.371 -6.166 730 HB2 ASP 95 2HB ASP 95 -9.546 2.812 -7.903 731 HB3 ASP 95 1HB ASP 95 -8.515 4.215 -8.149 732 H ARG 96 H ARG 96 -7.388 3.304 -4.345 733 HA ARG 96 HA ARG 96 -8.944 0.984 -3.362 734 HB2 ARG 96 2HB ARG 96 -6.009 1.379 -2.823 735 HB3 ARG 96 1HB ARG 96 -6.943 -0.107 -2.767 736 HG2 ARG 96 2HG ARG 96 -6.493 1.351 -5.339 737 HG3 ARG 96 1HG ARG 96 -5.294 0.233 -4.692 738 HD2 ARG 96 2HD ARG 96 -6.772 -1.593 -4.837 739 HD3 ARG 96 1HD ARG 96 -8.166 -0.541 -5.088 740 HE ARG 96 HE ARG 96 -7.295 -0.023 -7.288 741 HH11 ARG 96 1HH1 ARG 96 -5.750 -2.710 -5.644 742 HH12 ARG 96 2HH1 ARG 96 -5.278 -3.496 -7.122 743 HH21 ARG 96 1HH2 ARG 96 -6.651 -1.033 -9.206 744 HH22 ARG 96 2HH2 ARG 96 -5.771 -2.529 -9.152 745 H ILE 97 H ILE 97 -7.238 3.887 -2.657 746 HA ILE 97 HA ILE 97 -7.496 3.622 0.204 747 HB ILE 97 HB ILE 97 -5.607 4.786 -1.312 748 HG12 ILE 97 2HG1 ILE 97 -6.530 5.422 1.456 749 HG13 ILE 97 1HG1 ILE 97 -5.222 4.362 0.943 750 HG21 ILE 97 1HG2 ILE 97 -5.773 7.201 -1.167 751 HG22 ILE 97 2HG2 ILE 97 -7.385 7.058 -0.467 752 HG23 ILE 97 3HG2 ILE 97 -7.096 6.539 -2.127 753 HD11 ILE 97 1HD1 ILE 97 -3.965 6.339 0.202 754 HD12 ILE 97 2HD1 ILE 97 -4.325 6.365 1.928 755 HD13 ILE 97 3HD1 ILE 97 -5.261 7.365 0.815 756 H ARG 98 H ARG 98 -8.708 4.886 1.503 757 HA ARG 98 HA ARG 98 -10.551 6.850 0.371 758 HB2 ARG 98 2HB ARG 98 -11.856 5.325 2.480 759 HB3 ARG 98 1HB ARG 98 -12.467 5.780 0.900 760 HG2 ARG 98 2HG ARG 98 -10.638 3.431 1.297 761 HG3 ARG 98 1HG ARG 98 -12.386 3.309 1.457 762 HD2 ARG 98 2HD ARG 98 -10.891 4.200 -1.007 763 HD3 ARG 98 1HD ARG 98 -11.635 2.621 -0.759 764 HE ARG 98 HE ARG 98 -13.800 3.873 -0.628 765 HH11 ARG 98 1HH1 ARG 98 -11.053 5.275 -2.287 766 HH12 ARG 98 2HH1 ARG 98 -12.026 6.128 -3.444 767 HH21 ARG 98 1HH2 ARG 98 -15.087 4.981 -2.153 768 HH22 ARG 98 2HH2 ARG 98 -14.315 5.939 -3.391 769 H ALA 99 H ALA 99 -11.784 7.657 2.709 770 HA ALA 99 HA ALA 99 -9.468 8.592 4.193 771 HB1 ALA 99 1HB ALA 99 -11.019 10.323 3.330 772 HB2 ALA 99 2HB ALA 99 -10.907 10.322 5.089 773 HB3 ALA 99 3HB ALA 99 -12.314 9.613 4.297 774 H TYR 100 H TYR 100 -9.377 8.369 6.348 775 HA TYR 100 HA TYR 100 -10.888 6.152 7.435 776 HB2 TYR 100 2HB TYR 100 -8.490 6.230 7.626 777 HB3 TYR 100 1HB TYR 100 -8.575 7.814 8.356 778 HD1 TYR 100 1HD TYR 100 -9.283 4.242 8.843 779 HD2 TYR 100 2HD TYR 100 -8.863 8.012 10.765 780 HE1 TYR 100 1HE TYR 100 -9.271 3.124 11.021 781 HE2 TYR 100 2HE TYR 100 -8.843 6.892 12.963 782 HH TYR 100 HH TYR 100 -8.634 3.408 13.230 783 H ASN 101 H ASN 101 -12.914 6.944 7.851 784 HA ASN 101 HA ASN 101 -13.111 8.805 10.063 785 HB2 ASN 101 2HB ASN 101 -14.873 10.134 8.905 786 HB3 ASN 101 1HB ASN 101 -13.272 10.322 8.201 787 HD21 ASN 101 1HD2 ASN 101 -13.531 10.640 6.131 788 HD22 ASN 101 2HD2 ASN 101 -14.523 9.700 5.073 789 H GLU 102 H GLU 102 -15.449 9.041 10.686 790 HA GLU 102 HA GLU 102 -16.402 6.639 11.638 791 HB2 GLU 102 2HB GLU 102 -18.236 8.958 11.125 792 HB3 GLU 102 1HB GLU 102 -18.269 7.805 12.451 793 HG2 GLU 102 2HG GLU 102 -16.271 8.770 13.394 794 HG3 GLU 102 1HG GLU 102 -16.120 9.865 12.022 795 H GLU 103 H GLU 103 -17.108 8.079 8.535 796 HA GLU 103 HA GLU 103 -19.452 6.413 8.142 797 HB2 GLU 103 2HB GLU 103 -19.182 8.813 7.335 798 HB3 GLU 103 1HB GLU 103 -18.128 8.162 6.088 799 HG2 GLU 103 2HG GLU 103 -19.932 6.778 5.249 800 HG3 GLU 103 1HG GLU 103 -20.998 7.371 6.524 801 H ASN 104 H ASN 104 -16.126 6.535 6.925 802 HA ASN 104 HA ASN 104 -16.708 4.443 4.983 803 HB2 ASN 104 2HB ASN 104 -15.179 6.240 4.346 804 HB3 ASN 104 1HB ASN 104 -14.112 5.827 5.684 805 HD21 ASN 104 1HD2 ASN 104 -12.349 5.020 4.845 806 HD22 ASN 104 2HD2 ASN 104 -12.273 3.750 3.671 807 H ILE 105 H ILE 105 -15.073 4.818 8.059 808 HA ILE 105 HA ILE 105 -13.828 2.279 8.115 809 HB ILE 105 HB ILE 105 -14.795 3.907 10.415 810 HG12 ILE 105 2HG1 ILE 105 -12.097 3.878 9.061 811 HG13 ILE 105 1HG1 ILE 105 -13.302 5.154 8.903 812 HG21 ILE 105 1HG2 ILE 105 -13.082 2.734 11.700 813 HG22 ILE 105 2HG2 ILE 105 -12.699 1.757 10.282 814 HG23 ILE 105 3HG2 ILE 105 -14.286 1.626 11.045 815 HD11 ILE 105 1HD1 ILE 105 -11.536 5.715 10.476 816 HD12 ILE 105 2HD1 ILE 105 -11.990 4.324 11.462 817 HD13 ILE 105 3HD1 ILE 105 -13.125 5.656 11.237 818 H ALA 106 H ALA 106 -16.994 3.487 8.861 819 HA ALA 106 HA ALA 106 -18.061 1.452 10.388 820 HB1 ALA 106 1HB ALA 106 -19.499 2.998 8.234 821 HB2 ALA 106 2HB ALA 106 -19.226 3.561 9.883 822 HB3 ALA 106 3HB ALA 106 -20.241 2.148 9.588 823 H MET 107 H MET 107 -17.367 1.569 6.952 824 HA MET 107 HA MET 107 -18.808 -0.826 6.324 825 HB2 MET 107 2HB MET 107 -17.737 1.061 4.714 826 HB3 MET 107 1HB MET 107 -16.435 -0.121 4.682 827 HG2 MET 107 2HG MET 107 -18.172 -1.831 4.066 828 HG3 MET 107 1HG MET 107 -19.280 -0.485 3.812 829 HE1 MET 107 1HE MET 107 -17.319 1.520 1.014 830 HE2 MET 107 2HE MET 107 -17.159 1.698 2.760 831 HE3 MET 107 3HE MET 107 -18.757 1.513 2.036 832 H LYS 108 H LYS 108 -15.376 -0.032 6.872 833 HA LYS 108 HA LYS 108 -14.250 -2.542 6.592 834 HB2 LYS 108 2HB LYS 108 -12.939 -0.477 6.853 835 HB3 LYS 108 1HB LYS 108 -13.463 -0.351 8.526 836 HG2 LYS 108 2HG LYS 108 -12.275 -2.373 9.093 837 HG3 LYS 108 1HG LYS 108 -11.831 -2.620 7.404 838 HD2 LYS 108 2HD LYS 108 -9.919 -1.620 8.116 839 HD3 LYS 108 1HD LYS 108 -10.838 -0.171 7.714 840 HE2 LYS 108 2HE LYS 108 -9.869 0.212 9.835 841 HE3 LYS 108 1HE LYS 108 -11.575 -0.114 10.124 842 HZ1 LYS 108 1HZ LYS 108 -9.866 -1.245 11.615 843 HZ2 LYS 108 2HZ LYS 108 -9.553 -2.266 10.302 844 HZ3 LYS 108 3HZ LYS 108 -11.110 -2.214 10.984 845 H LYS 109 H LYS 109 -15.866 -1.110 9.320 846 HA LYS 109 HA LYS 109 -15.301 -3.096 11.241 847 HB2 LYS 109 2HB LYS 109 -17.748 -1.327 11.035 848 HB3 LYS 109 1HB LYS 109 -17.241 -2.216 12.467 849 HG2 LYS 109 2HG LYS 109 -15.654 -0.037 11.132 850 HG3 LYS 109 1HG LYS 109 -16.655 0.162 12.573 851 HD2 LYS 109 2HD LYS 109 -14.530 -1.939 12.519 852 HD3 LYS 109 1HD LYS 109 -14.090 -0.257 12.818 853 HE2 LYS 109 2HE LYS 109 -15.407 -0.147 14.760 854 HE3 LYS 109 1HE LYS 109 -16.269 -1.631 14.351 855 HZ1 LYS 109 1HZ LYS 109 -14.758 -2.223 16.015 856 HZ2 LYS 109 2HZ LYS 109 -13.485 -1.345 15.314 857 HZ3 LYS 109 3HZ LYS 109 -14.040 -2.765 14.578 858 H ARG 110 H ARG 110 -18.215 -2.661 9.245 859 HA ARG 110 HA ARG 110 -19.370 -5.159 9.952 860 HB2 ARG 110 2HB ARG 110 -20.588 -3.186 8.982 861 HB3 ARG 110 1HB ARG 110 -19.819 -3.520 7.444 862 HG2 ARG 110 2HG ARG 110 -20.920 -5.712 7.383 863 HG3 ARG 110 1HG ARG 110 -21.724 -5.338 8.910 864 HD2 ARG 110 2HD ARG 110 -23.309 -4.186 7.857 865 HD3 ARG 110 1HD ARG 110 -22.107 -3.193 7.032 866 HE ARG 110 HE ARG 110 -22.117 -5.590 5.673 867 HH11 ARG 110 1HH1 ARG 110 -24.578 -3.204 6.459 868 HH12 ARG 110 2HH1 ARG 110 -25.483 -3.483 5.004 869 HH21 ARG 110 1HH2 ARG 110 -23.314 -5.947 3.774 870 HH22 ARG 110 2HH2 ARG 110 -24.774 -5.049 3.494 871 H LEU 111 H LEU 111 -17.173 -4.052 7.559 872 HA LEU 111 HA LEU 111 -17.174 -6.208 5.780 873 HB2 LEU 111 2HB LEU 111 -15.458 -3.903 6.408 874 HB3 LEU 111 1HB LEU 111 -14.713 -5.188 5.502 875 HG LEU 111 HG LEU 111 -17.289 -3.977 4.730 876 HD11 LEU 111 1HD1 LEU 111 -14.532 -3.160 3.844 877 HD12 LEU 111 2HD1 LEU 111 -15.658 -2.177 4.779 878 HD13 LEU 111 3HD1 LEU 111 -16.032 -2.593 3.106 879 HD21 LEU 111 1HD2 LEU 111 -16.750 -4.758 2.506 880 HD22 LEU 111 2HD2 LEU 111 -16.888 -6.060 3.687 881 HD23 LEU 111 3HD2 LEU 111 -15.295 -5.516 3.158 882 H ALA 112 H ALA 112 -15.151 -5.538 8.634 883 HA ALA 112 HA ALA 112 -13.589 -7.877 8.117 884 HB1 ALA 112 1HB ALA 112 -12.654 -5.959 9.325 885 HB2 ALA 112 2HB ALA 112 -12.539 -7.442 10.270 886 HB3 ALA 112 3HB ALA 112 -13.779 -6.247 10.652 887 H ASN 113 H ASN 113 -16.646 -7.360 9.350 888 HA ASN 113 HA ASN 113 -16.595 -9.849 10.873 889 HB2 ASN 113 2HB ASN 113 -18.153 -7.399 11.026 890 HB3 ASN 113 1HB ASN 113 -19.174 -8.831 11.030 891 HD21 ASN 113 1HD2 ASN 113 -18.524 -6.866 13.138 892 HD22 ASN 113 2HD2 ASN 113 -17.923 -7.808 14.460 893 H GLU 114 H GLU 114 -17.814 -8.420 7.947 894 HA GLU 114 HA GLU 114 -19.481 -10.721 7.342 895 HB2 GLU 114 2HB GLU 114 -19.042 -8.062 6.017 896 HB3 GLU 114 1HB GLU 114 -19.869 -9.370 5.176 897 HG2 GLU 114 2HG GLU 114 -21.354 -9.444 7.306 898 HG3 GLU 114 1HG GLU 114 -20.720 -7.824 7.587 899 H ALA 115 H ALA 115 -16.455 -9.174 6.202 900 HA ALA 115 HA ALA 115 -16.175 -11.143 4.081 901 HB1 ALA 115 1HB ALA 115 -13.959 -10.176 3.737 902 HB2 ALA 115 2HB ALA 115 -14.135 -9.225 5.212 903 HB3 ALA 115 3HB ALA 115 -15.188 -8.915 3.831 904 H LYS 116 H LYS 116 -16.056 -11.305 7.278 905 HA LYS 116 HA LYS 116 -13.930 -13.315 7.401 906 HB2 LYS 116 2HB LYS 116 -13.429 -12.498 9.436 907 HB3 LYS 116 1HB LYS 116 -14.442 -11.131 8.996 908 HG2 LYS 116 2HG LYS 116 -16.184 -11.813 10.314 909 HG3 LYS 116 1HG LYS 116 -15.720 -13.514 10.257 910 HD2 LYS 116 2HD LYS 116 -13.651 -12.794 11.592 911 HD3 LYS 116 1HD LYS 116 -14.530 -11.296 11.895 912 HE2 LYS 116 2HE LYS 116 -16.173 -13.632 12.382 913 HE3 LYS 116 1HE LYS 116 -14.704 -13.648 13.358 914 HZ1 LYS 116 1HZ LYS 116 -16.599 -11.358 13.218 915 HZ2 LYS 116 2HZ LYS 116 -15.253 -11.504 14.239 916 HZ3 LYS 116 3HZ LYS 116 -16.585 -12.525 14.450 917 H GLU 117 H GLU 117 -17.190 -13.005 6.996 918 HA GLU 117 HA GLU 117 -18.315 -14.895 8.720 919 HB2 GLU 117 2HB GLU 117 -19.084 -13.994 5.949 920 HB3 GLU 117 1HB GLU 117 -20.055 -15.132 6.873 921 HG2 GLU 117 2HG GLU 117 -19.623 -12.991 8.605 922 HG3 GLU 117 1HG GLU 117 -19.928 -12.257 7.029 923 H ALA 118 H ALA 118 -17.736 -15.406 5.258 924 HA ALA 118 HA ALA 118 -16.123 -17.655 5.369 925 HB1 ALA 118 1HB ALA 118 -19.048 -18.390 5.187 926 HB2 ALA 118 2HB ALA 118 -17.977 -18.751 6.540 927 HB3 ALA 118 3HB ALA 118 -17.688 -19.491 4.964 928 H LYS 119 H LYS 119 -16.326 -18.985 3.306 929 HA LYS 119 HA LYS 119 -16.356 -19.176 1.062 930 HB2 LYS 119 2HB LYS 119 -18.508 -17.062 1.185 931 HB3 LYS 119 1HB LYS 119 -18.086 -17.980 -0.252 932 HG2 LYS 119 2HG LYS 119 -18.881 -19.997 0.673 933 HG3 LYS 119 1HG LYS 119 -18.959 -19.303 2.294 934 HD2 LYS 119 2HD LYS 119 -20.719 -17.742 1.475 935 HD3 LYS 119 1HD LYS 119 -20.701 -18.607 -0.067 936 HE2 LYS 119 2HE LYS 119 -21.366 -20.651 1.028 937 HE3 LYS 119 1HE LYS 119 -21.248 -19.881 2.611 938 HZ1 LYS 119 1HZ LYS 119 -23.237 -19.347 0.474 939 HZ2 LYS 119 2HZ LYS 119 -23.041 -18.329 1.820 940 HZ3 LYS 119 3HZ LYS 119 -23.516 -19.942 2.035 941 H LYS 120 H LYS 120 -14.186 -18.322 1.231 942 HA LYS 120 HA LYS 120 -13.799 -15.559 0.415 943 HB2 LYS 120 2HB LYS 120 -12.051 -17.754 1.401 944 HB3 LYS 120 1HB LYS 120 -11.317 -16.581 0.316 945 HG2 LYS 120 2HG LYS 120 -12.494 -14.890 2.009 946 HG3 LYS 120 1HG LYS 120 -12.262 -16.265 3.097 947 HD2 LYS 120 2HD LYS 120 -9.875 -16.325 2.413 948 HD3 LYS 120 1HD LYS 120 -10.144 -14.863 1.464 949 HE2 LYS 120 2HE LYS 120 -10.793 -13.672 3.511 950 HE3 LYS 120 1HE LYS 120 -10.497 -15.136 4.451 951 HZ1 LYS 120 1HZ LYS 120 -8.659 -13.168 3.756 952 HZ2 LYS 120 2HZ LYS 120 -8.232 -14.546 2.867 953 HZ3 LYS 120 3HZ LYS 120 -8.354 -14.631 4.557 Start of MODEL 8 1 H MET 1 1HT MET 1 -17.335 13.264 3.433 2 HA MET 1 HA MET 1 -18.364 15.430 3.543 3 HB2 MET 1 2HB MET 1 -18.885 15.433 5.941 4 HB3 MET 1 1HB MET 1 -17.171 15.485 6.324 5 HG2 MET 1 2HG MET 1 -18.082 17.669 6.607 6 HG3 MET 1 1HG MET 1 -17.038 17.684 5.186 7 HE1 MET 1 1HE MET 1 -19.988 20.250 4.432 8 HE2 MET 1 2HE MET 1 -18.248 20.087 4.647 9 HE3 MET 1 3HE MET 1 -19.326 19.875 6.025 10 H VAL 2 H VAL 2 -17.008 15.717 1.882 11 HA VAL 2 HA VAL 2 -15.156 16.296 0.697 12 HB VAL 2 HB VAL 2 -14.073 17.889 2.968 13 HG11 VAL 2 1HG1 VAL 2 -13.067 17.994 0.733 14 HG12 VAL 2 2HG1 VAL 2 -13.726 19.553 1.228 15 HG13 VAL 2 3HG1 VAL 2 -14.604 18.549 0.074 16 HG21 VAL 2 1HG2 VAL 2 -16.650 18.608 1.567 17 HG22 VAL 2 2HG2 VAL 2 -15.748 19.645 2.673 18 HG23 VAL 2 3HG2 VAL 2 -16.486 18.155 3.264 19 H ASP 3 H ASP 3 -12.657 17.120 2.203 20 HA ASP 3 HA ASP 3 -10.618 16.234 2.658 21 HB2 ASP 3 2HB ASP 3 -12.436 14.428 4.218 22 HB3 ASP 3 1HB ASP 3 -10.700 14.142 4.195 23 H LEU 4 H LEU 4 -12.140 15.237 0.285 24 HA LEU 4 HA LEU 4 -11.528 12.528 -0.191 25 HB2 LEU 4 2HB LEU 4 -12.005 13.004 -2.532 26 HB3 LEU 4 1HB LEU 4 -13.220 13.702 -1.478 27 HG LEU 4 HG LEU 4 -11.036 15.540 -2.166 28 HD11 LEU 4 1HD1 LEU 4 -11.793 15.943 -4.434 29 HD12 LEU 4 2HD1 LEU 4 -12.933 14.604 -4.308 30 HD13 LEU 4 3HD1 LEU 4 -11.199 14.290 -4.266 31 HD21 LEU 4 1HD2 LEU 4 -13.074 16.212 -0.973 32 HD22 LEU 4 2HD2 LEU 4 -14.038 15.739 -2.372 33 HD23 LEU 4 3HD2 LEU 4 -12.892 17.073 -2.502 34 H GLU 5 H GLU 5 -9.461 15.187 -0.025 35 HA GLU 5 HA GLU 5 -7.307 13.604 -1.187 36 HB2 GLU 5 2HB GLU 5 -6.474 15.584 -2.451 37 HB3 GLU 5 1HB GLU 5 -8.000 14.950 -3.056 38 HG2 GLU 5 2HG GLU 5 -9.159 16.801 -2.481 39 HG3 GLU 5 1HG GLU 5 -8.178 17.101 -1.045 40 H GLN 6 H GLN 6 -8.211 14.723 1.525 41 HA GLN 6 HA GLN 6 -5.681 16.110 2.110 42 HB2 GLN 6 2HB GLN 6 -8.441 16.667 3.070 43 HB3 GLN 6 1HB GLN 6 -7.075 17.040 4.122 44 HG2 GLN 6 2HG GLN 6 -7.415 18.018 1.300 45 HG3 GLN 6 1HG GLN 6 -7.741 18.956 2.758 46 HE21 GLN 6 1HE2 GLN 6 -5.213 17.245 0.994 47 HE22 GLN 6 2HE2 GLN 6 -3.901 18.191 1.602 48 H GLU 7 H GLU 7 -7.598 13.429 2.805 49 HA GLU 7 HA GLU 7 -6.123 12.905 5.288 50 HB2 GLU 7 2HB GLU 7 -8.477 11.463 4.064 51 HB3 GLU 7 1HB GLU 7 -7.745 11.097 5.624 52 HG2 GLU 7 2HG GLU 7 -8.284 13.792 5.740 53 HG3 GLU 7 1HG GLU 7 -9.680 13.106 4.914 54 H PHE 8 H PHE 8 -5.385 12.769 2.338 55 HA PHE 8 HA PHE 8 -4.191 10.097 2.353 56 HB2 PHE 8 2HB PHE 8 -5.046 11.439 -0.208 57 HB3 PHE 8 1HB PHE 8 -4.645 9.751 0.057 58 HD1 PHE 8 1HD PHE 8 -7.207 12.290 1.022 59 HD2 PHE 8 2HD PHE 8 -6.342 8.209 0.181 60 HE1 PHE 8 1HE PHE 8 -9.599 11.766 1.128 61 HE2 PHE 8 2HE PHE 8 -8.741 7.685 0.288 62 HZ PHE 8 HZ PHE 8 -10.378 9.464 0.759 63 H ALA 9 H ALA 9 -2.636 11.601 3.397 64 HA ALA 9 HA ALA 9 -0.948 12.756 1.393 65 HB1 ALA 9 1HB ALA 9 -2.039 14.383 3.686 66 HB2 ALA 9 2HB ALA 9 -2.468 14.570 1.986 67 HB3 ALA 9 3HB ALA 9 -0.824 14.917 2.522 68 H LEU 10 H LEU 10 0.650 14.136 3.100 69 HA LEU 10 HA LEU 10 2.532 12.254 3.829 70 HB2 LEU 10 2HB LEU 10 2.053 15.108 4.404 71 HB3 LEU 10 1HB LEU 10 3.284 14.283 5.340 72 HG LEU 10 HG LEU 10 4.181 13.545 2.987 73 HD11 LEU 10 1HD1 LEU 10 2.293 14.401 1.710 74 HD12 LEU 10 2HD1 LEU 10 3.793 15.215 1.255 75 HD13 LEU 10 3HD1 LEU 10 2.632 16.030 2.298 76 HD21 LEU 10 1HD2 LEU 10 4.493 16.354 4.020 77 HD22 LEU 10 2HD2 LEU 10 5.585 15.542 2.899 78 HD23 LEU 10 3HD2 LEU 10 5.409 14.943 4.551 79 H GLY 11 H GLY 11 2.124 10.633 5.248 80 HA2 GLY 11 2HA GLY 11 1.931 9.644 7.305 81 HA3 GLY 11 1HA GLY 11 2.110 11.238 8.030 82 H GLY 12 H GLY 12 -0.336 10.864 5.694 83 HA2 GLY 12 2HA GLY 12 -2.360 11.502 7.619 84 HA3 GLY 12 1HA GLY 12 -2.601 11.229 5.897 85 H ARG 13 H ARG 13 -4.131 10.280 8.195 86 HA ARG 13 HA ARG 13 -3.599 7.442 8.289 87 HB2 ARG 13 2HB ARG 13 -5.288 7.303 9.935 88 HB3 ARG 13 1HB ARG 13 -4.456 8.815 10.263 89 HG2 ARG 13 2HG ARG 13 -6.788 9.025 8.499 90 HG3 ARG 13 1HG ARG 13 -7.132 8.514 10.150 91 HD2 ARG 13 2HD ARG 13 -5.968 10.490 11.006 92 HD3 ARG 13 1HD ARG 13 -5.617 11.002 9.353 93 HE ARG 13 HE ARG 13 -7.892 11.513 9.033 94 HH11 ARG 13 1HH1 ARG 13 -7.183 10.497 12.314 95 HH12 ARG 13 2HH1 ARG 13 -8.750 10.933 12.923 96 HH21 ARG 13 1HH2 ARG 13 -9.926 12.061 9.799 97 HH22 ARG 13 2HH2 ARG 13 -10.333 11.820 11.476 98 H CYS 14 H CYS 14 -4.355 6.056 6.830 99 HA CYS 14 HA CYS 14 -6.817 6.775 5.410 100 HB2 CYS 14 2HB CYS 14 -4.127 6.305 4.321 101 HB3 CYS 14 1HB CYS 14 -5.421 5.431 3.502 102 HG CYS 14 HG CYS 14 -5.702 8.778 4.063 103 H LEU 15 H LEU 15 -7.650 4.975 4.150 104 HA LEU 15 HA LEU 15 -7.273 2.359 5.447 105 HB2 LEU 15 2HB LEU 15 -9.792 3.698 4.442 106 HB3 LEU 15 1HB LEU 15 -9.690 1.976 4.747 107 HG LEU 15 HG LEU 15 -9.200 4.067 6.861 108 HD11 LEU 15 1HD1 LEU 15 -11.479 4.269 6.092 109 HD12 LEU 15 2HD1 LEU 15 -11.458 3.479 7.666 110 HD13 LEU 15 3HD1 LEU 15 -11.702 2.524 6.206 111 HD21 LEU 15 1HD2 LEU 15 -9.731 1.102 7.035 112 HD22 LEU 15 2HD2 LEU 15 -9.502 2.197 8.401 113 HD23 LEU 15 3HD2 LEU 15 -8.171 1.885 7.286 114 H ALA 16 H ALA 16 -7.315 0.588 3.912 115 HA ALA 16 HA ALA 16 -7.529 1.456 1.130 116 HB1 ALA 16 1HB ALA 16 -5.394 0.495 0.467 117 HB2 ALA 16 2HB ALA 16 -5.032 0.113 2.150 118 HB3 ALA 16 3HB ALA 16 -5.169 1.794 1.637 119 H PHE 17 H PHE 17 -8.195 -0.106 -0.238 120 HA PHE 17 HA PHE 17 -9.437 -2.314 1.095 121 HB2 PHE 17 2HB PHE 17 -9.588 -1.106 -1.593 122 HB3 PHE 17 1HB PHE 17 -9.975 -2.824 -1.483 123 HD1 PHE 17 1HD PHE 17 -11.071 0.549 -0.722 124 HD2 PHE 17 2HD PHE 17 -11.776 -3.585 0.008 125 HE1 PHE 17 1HE PHE 17 -13.313 1.083 0.138 126 HE2 PHE 17 2HE PHE 17 -14.019 -3.055 0.872 127 HZ PHE 17 HZ PHE 17 -14.790 -0.713 0.934 128 H HIS 18 H HIS 18 -8.199 -3.838 1.758 129 HA HIS 18 HA HIS 18 -6.198 -5.033 -0.002 130 HB2 HIS 18 2HB HIS 18 -5.777 -4.527 2.502 131 HB3 HIS 18 1HB HIS 18 -6.862 -5.874 2.830 132 HD2 HIS 18 2HD HIS 18 -4.049 -5.902 0.090 133 HE1 HIS 18 1HE HIS 18 -3.255 -8.864 3.003 134 HE2 HIS 18 2HE HIS 18 -2.400 -7.735 0.901 135 H GLY 19 H GLY 19 -7.456 -6.036 -1.486 136 HA2 GLY 19 2HA GLY 19 -8.652 -7.820 -2.338 137 HA3 GLY 19 1HA GLY 19 -8.778 -8.461 -0.698 138 HA PRO 20 HA PRO 20 -12.914 -6.845 -1.083 139 HB2 PRO 20 2HB PRO 20 -13.873 -8.513 0.924 140 HB3 PRO 20 1HB PRO 20 -13.787 -8.904 -0.794 141 HG2 PRO 20 2HG PRO 20 -12.320 -10.117 1.310 142 HG3 PRO 20 1HG PRO 20 -12.108 -10.374 -0.428 143 HD2 PRO 20 2HD PRO 20 -10.571 -8.627 1.426 144 HD3 PRO 20 1HD PRO 20 -10.036 -9.463 -0.050 145 H LEU 21 H LEU 21 -10.806 -6.467 1.602 146 HA LEU 21 HA LEU 21 -12.928 -4.929 2.958 147 HB2 LEU 21 2HB LEU 21 -10.922 -6.803 4.111 148 HB3 LEU 21 1HB LEU 21 -11.510 -5.461 5.077 149 HG LEU 21 HG LEU 21 -13.074 -7.773 3.963 150 HD11 LEU 21 1HD1 LEU 21 -13.782 -7.999 6.297 151 HD12 LEU 21 2HD1 LEU 21 -12.753 -6.636 6.734 152 HD13 LEU 21 3HD1 LEU 21 -12.032 -8.126 6.124 153 HD21 LEU 21 1HD2 LEU 21 -15.095 -6.665 4.797 154 HD22 LEU 21 2HD2 LEU 21 -14.349 -5.771 3.473 155 HD23 LEU 21 3HD2 LEU 21 -14.150 -5.214 5.133 156 H MET 22 H MET 22 -12.211 -3.281 4.416 157 HA MET 22 HA MET 22 -10.114 -1.646 3.264 158 HB2 MET 22 2HB MET 22 -12.649 -1.181 4.519 159 HB3 MET 22 1HB MET 22 -11.408 -0.396 5.485 160 HG2 MET 22 2HG MET 22 -10.639 0.843 3.555 161 HG3 MET 22 1HG MET 22 -11.794 0.002 2.524 162 HE1 MET 22 1HE MET 22 -14.440 0.354 2.674 163 HE2 MET 22 2HE MET 22 -15.216 1.357 3.899 164 HE3 MET 22 3HE MET 22 -14.370 -0.116 4.372 165 H TYR 23 H TYR 23 -8.134 -1.685 4.142 166 HA TYR 23 HA TYR 23 -7.921 -2.419 6.981 167 HB2 TYR 23 2HB TYR 23 -6.211 -3.019 4.617 168 HB3 TYR 23 1HB TYR 23 -5.424 -2.826 6.182 169 HD1 TYR 23 1HD TYR 23 -8.043 -4.758 4.390 170 HD2 TYR 23 2HD TYR 23 -5.483 -4.554 7.784 171 HE1 TYR 23 1HE TYR 23 -8.663 -7.058 4.990 172 HE2 TYR 23 2HE TYR 23 -6.097 -6.855 8.392 173 HH TYR 23 HH TYR 23 -7.744 -8.935 6.274 174 H GLU 24 H GLU 24 -6.734 -1.209 8.343 175 HA GLU 24 HA GLU 24 -6.517 1.564 7.781 176 HB2 GLU 24 2HB GLU 24 -5.389 1.599 10.056 177 HB3 GLU 24 1HB GLU 24 -7.019 0.940 10.013 178 HG2 GLU 24 2HG GLU 24 -4.736 -0.931 9.726 179 HG3 GLU 24 1HG GLU 24 -5.068 -0.245 11.314 180 H ALA 25 H ALA 25 -4.761 2.818 7.276 181 HA ALA 25 HA ALA 25 -2.115 1.617 7.274 182 HB1 ALA 25 1HB ALA 25 -3.108 0.967 5.121 183 HB2 ALA 25 2HB ALA 25 -1.702 2.017 4.938 184 HB3 ALA 25 3HB ALA 25 -3.324 2.674 4.735 185 H LYS 26 H LYS 26 -0.426 3.036 7.101 186 HA LYS 26 HA LYS 26 -1.089 5.889 7.477 187 HB2 LYS 26 2HB LYS 26 0.020 4.688 9.392 188 HB3 LYS 26 1HB LYS 26 1.403 4.410 8.345 189 HG2 LYS 26 2HG LYS 26 1.883 6.731 8.224 190 HG3 LYS 26 1HG LYS 26 0.355 7.149 9.003 191 HD2 LYS 26 2HD LYS 26 1.110 6.025 11.053 192 HD3 LYS 26 1HD LYS 26 2.646 5.643 10.269 193 HE2 LYS 26 2HE LYS 26 3.285 7.900 10.188 194 HE3 LYS 26 1HE LYS 26 1.648 8.464 10.520 195 HZ1 LYS 26 1HZ LYS 26 3.425 7.032 12.436 196 HZ2 LYS 26 2HZ LYS 26 1.844 7.552 12.761 197 HZ3 LYS 26 3HZ LYS 26 3.061 8.685 12.464 198 H ILE 27 H ILE 27 -0.614 7.123 5.811 199 HA ILE 27 HA ILE 27 0.895 6.112 3.606 200 HB ILE 27 HB ILE 27 0.059 8.976 3.977 201 HG12 ILE 27 2HG1 ILE 27 -1.576 6.680 2.883 202 HG13 ILE 27 1HG1 ILE 27 -1.883 7.529 4.394 203 HG21 ILE 27 1HG2 ILE 27 0.501 7.270 1.529 204 HG22 ILE 27 2HG2 ILE 27 1.566 8.546 2.120 205 HG23 ILE 27 3HG2 ILE 27 -0.044 8.949 1.521 206 HD11 ILE 27 1HD1 ILE 27 -2.041 8.690 1.630 207 HD12 ILE 27 2HD1 ILE 27 -2.313 9.576 3.130 208 HD13 ILE 27 3HD1 ILE 27 -3.398 8.264 2.672 209 H LEU 28 H LEU 28 2.978 5.909 3.696 210 HA LEU 28 HA LEU 28 4.586 7.795 5.194 211 HB2 LEU 28 2HB LEU 28 4.790 5.064 4.589 212 HB3 LEU 28 1HB LEU 28 6.112 5.842 3.731 213 HG LEU 28 HG LEU 28 6.450 7.034 6.060 214 HD11 LEU 28 1HD1 LEU 28 5.132 4.427 6.787 215 HD12 LEU 28 2HD1 LEU 28 4.530 6.046 7.138 216 HD13 LEU 28 3HD1 LEU 28 6.014 5.468 7.903 217 HD21 LEU 28 1HD2 LEU 28 8.152 5.423 6.577 218 HD22 LEU 28 2HD2 LEU 28 8.071 5.613 4.824 219 HD23 LEU 28 3HD2 LEU 28 7.354 4.196 5.594 220 H LYS 29 H LYS 29 3.800 7.002 1.892 221 HA LYS 29 HA LYS 29 5.370 9.336 1.077 222 HB2 LYS 29 2HB LYS 29 5.381 6.769 -0.534 223 HB3 LYS 29 1HB LYS 29 6.275 8.236 -0.880 224 HG2 LYS 29 2HG LYS 29 7.591 7.845 1.201 225 HG3 LYS 29 1HG LYS 29 6.761 6.295 1.362 226 HD2 LYS 29 2HD LYS 29 7.575 5.704 -0.928 227 HD3 LYS 29 1HD LYS 29 8.550 7.176 -0.903 228 HE2 LYS 29 2HE LYS 29 9.613 6.321 1.195 229 HE3 LYS 29 1HE LYS 29 8.746 4.807 0.941 230 HZ1 LYS 29 1HZ LYS 29 10.771 4.374 -0.028 231 HZ2 LYS 29 2HZ LYS 29 10.979 5.955 -0.605 232 HZ3 LYS 29 3HZ LYS 29 9.892 4.903 -1.380 233 H ILE 30 H ILE 30 4.405 10.552 -0.445 234 HA ILE 30 HA ILE 30 1.816 9.619 -1.501 235 HB ILE 30 HB ILE 30 2.894 12.411 -1.020 236 HG12 ILE 30 2HG1 ILE 30 0.757 12.680 0.226 237 HG13 ILE 30 1HG1 ILE 30 0.378 10.995 -0.111 238 HG21 ILE 30 1HG2 ILE 30 0.907 13.317 -2.086 239 HG22 ILE 30 2HG2 ILE 30 0.390 11.691 -2.540 240 HG23 ILE 30 3HG2 ILE 30 1.860 12.379 -3.235 241 HD11 ILE 30 1HD1 ILE 30 2.649 12.036 1.547 242 HD12 ILE 30 2HD1 ILE 30 2.392 10.338 1.141 243 HD13 ILE 30 3HD1 ILE 30 1.203 11.203 2.117 244 H TRP 31 H TRP 31 1.458 9.734 -3.784 245 HA TRP 31 HA TRP 31 4.013 10.003 -5.221 246 HB2 TRP 31 2HB TRP 31 3.324 7.741 -5.254 247 HB3 TRP 31 1HB TRP 31 1.682 8.181 -5.722 248 HD1 TRP 31 HD TRP 31 1.228 8.537 -8.254 249 HE1 TRP 31 1HE TRP 31 2.650 8.237 -10.395 250 HE3 TRP 31 3HE TRP 31 5.721 8.149 -6.038 251 HZ2 TRP 31 2HZ TRP 31 5.375 7.878 -11.004 252 HZ3 TRP 31 3HZ TRP 31 7.715 7.843 -7.442 253 HH2 TRP 31 HH TRP 31 7.534 7.713 -9.870 254 H ASP 32 H ASP 32 4.184 11.432 -6.723 255 HA ASP 32 HA ASP 32 1.830 12.831 -7.756 256 HB2 ASP 32 2HB ASP 32 3.403 14.388 -6.952 257 HB3 ASP 32 1HB ASP 32 4.766 13.464 -7.574 258 HA PRO 33 HA PRO 33 2.553 10.178 -11.357 259 HB2 PRO 33 2HB PRO 33 0.165 10.542 -12.502 260 HB3 PRO 33 1HB PRO 33 0.334 9.579 -11.026 261 HG2 PRO 33 2HG PRO 33 -0.507 12.448 -11.322 262 HG3 PRO 33 1HG PRO 33 -1.270 11.160 -10.369 263 HD2 PRO 33 2HD PRO 33 0.408 12.993 -9.279 264 HD3 PRO 33 1HD PRO 33 0.272 11.332 -8.667 265 H SER 34 H SER 34 2.908 13.332 -11.141 266 HA SER 34 HA SER 34 2.504 13.971 -13.964 267 HB2 SER 34 2HB SER 34 3.267 15.810 -11.687 268 HB3 SER 34 1HB SER 34 2.840 16.299 -13.328 269 HG SER 34 HG SER 34 0.846 14.845 -12.584 270 H SER 35 H SER 35 4.996 14.307 -11.460 271 HA SER 35 HA SER 35 7.031 14.481 -13.562 272 HB2 SER 35 2HB SER 35 7.849 14.744 -10.740 273 HB3 SER 35 1HB SER 35 8.213 15.783 -12.122 274 HG SER 35 HG SER 35 5.855 15.726 -10.539 275 H LYS 36 H LYS 36 5.796 12.475 -11.060 276 HA LYS 36 HA LYS 36 5.959 10.263 -10.769 277 HB2 LYS 36 2HB LYS 36 7.021 8.853 -12.171 278 HB3 LYS 36 1HB LYS 36 7.118 10.287 -13.177 279 HG2 LYS 36 2HG LYS 36 9.346 10.557 -12.803 280 HG3 LYS 36 1HG LYS 36 9.306 9.685 -11.272 281 HD2 LYS 36 2HD LYS 36 10.409 8.534 -13.309 282 HD3 LYS 36 1HD LYS 36 9.289 7.598 -12.317 283 HE2 LYS 36 2HE LYS 36 7.489 8.141 -13.935 284 HE3 LYS 36 1HE LYS 36 8.694 8.929 -14.953 285 HZ1 LYS 36 1HZ LYS 36 9.014 6.115 -14.104 286 HZ2 LYS 36 2HZ LYS 36 9.733 6.920 -15.412 287 HZ3 LYS 36 3HZ LYS 36 8.082 6.523 -15.463 288 H MET 37 H MET 37 6.922 12.395 -9.358 289 HA MET 37 HA MET 37 9.081 11.292 -7.813 290 HB2 MET 37 2HB MET 37 9.083 13.542 -6.720 291 HB3 MET 37 1HB MET 37 9.438 13.626 -8.438 292 HG2 MET 37 2HG MET 37 6.935 14.113 -8.718 293 HG3 MET 37 1HG MET 37 6.954 14.441 -6.985 294 HE1 MET 37 1HE MET 37 6.217 16.935 -7.162 295 HE2 MET 37 2HE MET 37 5.965 16.656 -8.886 296 HE3 MET 37 3HE MET 37 6.873 18.066 -8.344 297 H TYR 38 H TYR 38 8.607 11.589 -5.441 298 HA TYR 38 HA TYR 38 5.806 11.267 -4.794 299 HB2 TYR 38 2HB TYR 38 6.253 9.195 -3.512 300 HB3 TYR 38 1HB TYR 38 6.521 8.967 -5.236 301 HD1 TYR 38 1HD TYR 38 8.739 8.542 -6.102 302 HD2 TYR 38 2HD TYR 38 8.103 9.199 -1.954 303 HE1 TYR 38 1HE TYR 38 10.989 7.683 -5.624 304 HE2 TYR 38 2HE TYR 38 10.343 8.351 -1.457 305 HH TYR 38 HH TYR 38 12.054 6.505 -3.261 306 H THR 39 H THR 39 5.542 11.619 -2.470 307 HA THR 39 HA THR 39 7.924 12.910 -1.317 308 HB THR 39 HB THR 39 6.479 14.396 -0.128 309 HG1 THR 39 1HG THR 39 4.133 14.329 -0.920 310 HG21 THR 39 1HG2 THR 39 5.554 15.685 -1.992 311 HG22 THR 39 2HG2 THR 39 5.768 14.283 -3.042 312 HG23 THR 39 3HG2 THR 39 7.173 15.078 -2.337 313 H SER 40 H SER 40 8.782 11.745 0.172 314 HA SER 40 HA SER 40 7.236 9.721 1.571 315 HB2 SER 40 2HB SER 40 9.553 9.315 0.538 316 HB3 SER 40 1HB SER 40 10.197 10.274 1.868 317 HG SER 40 HG SER 40 10.274 8.250 2.633 318 H ILE 41 H ILE 41 7.944 9.468 3.967 319 HA ILE 41 HA ILE 41 8.199 12.099 5.231 320 HB ILE 41 HB ILE 41 6.377 11.778 6.707 321 HG12 ILE 41 2HG1 ILE 41 5.646 9.117 5.560 322 HG13 ILE 41 1HG1 ILE 41 6.862 9.215 6.830 323 HG21 ILE 41 1HG2 ILE 41 4.426 11.577 5.258 324 HG22 ILE 41 2HG2 ILE 41 5.458 10.933 3.979 325 HG23 ILE 41 3HG2 ILE 41 5.684 12.588 4.548 326 HD11 ILE 41 1HD1 ILE 41 4.618 8.714 7.676 327 HD12 ILE 41 2HD1 ILE 41 4.048 10.262 7.053 328 HD13 ILE 41 3HD1 ILE 41 5.267 10.215 8.330 329 HA PRO 42 HA PRO 42 11.078 10.392 8.113 330 HB2 PRO 42 2HB PRO 42 9.253 11.530 10.182 331 HB3 PRO 42 1HB PRO 42 10.997 11.734 9.990 332 HG2 PRO 42 2HG PRO 42 9.237 13.651 9.285 333 HG3 PRO 42 1HG PRO 42 10.769 13.404 8.430 334 HD2 PRO 42 2HD PRO 42 8.017 12.830 7.548 335 HD3 PRO 42 1HD PRO 42 9.484 13.071 6.583 336 H ASN 43 H ASN 43 11.291 8.522 9.279 337 HA ASN 43 HA ASN 43 9.082 6.709 9.318 338 HB2 ASN 43 2HB ASN 43 11.604 6.214 8.971 339 HB3 ASN 43 1HB ASN 43 11.682 6.190 10.730 340 HD21 ASN 43 1HD2 ASN 43 10.759 4.499 11.849 341 HD22 ASN 43 2HD2 ASN 43 10.174 3.069 11.068 342 H ASP 44 H ASP 44 7.984 8.486 10.781 343 HA ASP 44 HA ASP 44 6.977 8.986 12.766 344 HB2 ASP 44 2HB ASP 44 7.206 6.122 12.571 345 HB3 ASP 44 1HB ASP 44 7.268 6.620 14.259 346 H LYS 45 H LYS 45 9.835 9.554 12.665 347 HA LYS 45 HA LYS 45 10.463 9.234 15.516 348 HB2 LYS 45 2HB LYS 45 12.859 9.432 14.870 349 HB3 LYS 45 1HB LYS 45 12.067 7.997 14.234 350 HG2 LYS 45 2HG LYS 45 11.769 9.242 12.074 351 HG3 LYS 45 1HG LYS 45 12.799 10.508 12.748 352 HD2 LYS 45 2HD LYS 45 13.544 7.625 12.261 353 HD3 LYS 45 1HD LYS 45 14.152 9.040 11.400 354 HE2 LYS 45 2HE LYS 45 15.332 9.806 13.310 355 HE3 LYS 45 1HE LYS 45 14.513 8.654 14.360 356 HZ1 LYS 45 1HZ LYS 45 16.627 7.765 14.001 357 HZ2 LYS 45 2HZ LYS 45 16.612 8.119 12.342 358 HZ3 LYS 45 3HZ LYS 45 15.627 6.878 12.956 359 HA PRO 46 HA PRO 46 10.276 13.693 15.470 360 HB2 PRO 46 2HB PRO 46 10.485 13.663 18.313 361 HB3 PRO 46 1HB PRO 46 9.032 13.889 17.345 362 HG2 PRO 46 2HG PRO 46 9.538 11.706 18.968 363 HG3 PRO 46 1HG PRO 46 8.372 11.737 17.633 364 HD2 PRO 46 2HD PRO 46 11.145 10.624 17.709 365 HD3 PRO 46 1HD PRO 46 9.700 10.009 16.871 366 H GLY 47 H GLY 47 12.753 11.649 16.246 367 HA2 GLY 47 2HA GLY 47 14.598 13.886 16.792 368 HA3 GLY 47 1HA GLY 47 14.780 12.308 17.548 369 H GLY 48 H GLY 48 15.474 14.225 14.822 370 HA2 GLY 48 2HA GLY 48 17.244 12.215 13.782 371 HA3 GLY 48 1HA GLY 48 15.862 12.517 12.737 372 H SER 49 H SER 49 17.989 13.049 11.464 373 HA SER 49 HA SER 49 19.196 15.573 11.959 374 HB2 SER 49 2HB SER 49 19.118 14.078 9.334 375 HB3 SER 49 1HB SER 49 20.331 15.235 9.874 376 HG SER 49 HG SER 49 20.649 12.761 10.064 377 H SER 50 H SER 50 18.591 17.557 11.306 378 HA SER 50 HA SER 50 15.981 17.912 10.161 379 HB2 SER 50 2HB SER 50 17.026 20.410 10.329 380 HB3 SER 50 1HB SER 50 16.300 19.565 11.699 381 HG SER 50 HG SER 50 18.233 20.039 12.503 382 H GLN 51 H GLN 51 18.883 17.249 8.782 383 HA GLN 51 HA GLN 51 18.326 18.882 6.393 384 HB2 GLN 51 2HB GLN 51 21.023 17.686 6.961 385 HB3 GLN 51 1HB GLN 51 20.612 19.063 5.945 386 HG2 GLN 51 2HG GLN 51 19.996 20.311 8.011 387 HG3 GLN 51 1HG GLN 51 20.612 18.956 8.951 388 HE21 GLN 51 1HE2 GLN 51 22.768 18.475 6.985 389 HE22 GLN 51 2HE2 GLN 51 23.940 19.706 7.311 390 H ALA 52 H ALA 52 19.930 15.825 7.307 391 HA ALA 52 HA ALA 52 19.525 14.648 4.742 392 HB1 ALA 52 1HB ALA 52 20.278 13.316 7.342 393 HB2 ALA 52 2HB ALA 52 21.406 14.028 6.188 394 HB3 ALA 52 3HB ALA 52 20.439 12.626 5.728 395 H THR 53 H THR 53 17.553 15.073 7.443 396 HA THR 53 HA THR 53 15.557 13.222 6.354 397 HB THR 53 HB THR 53 15.584 13.572 9.316 398 HG1 THR 53 1HG THR 53 17.475 11.969 7.900 399 HG21 THR 53 1HG2 THR 53 13.846 12.250 8.203 400 HG22 THR 53 2HG2 THR 53 14.833 11.239 9.257 401 HG23 THR 53 3HG2 THR 53 15.079 11.197 7.513 402 H LYS 54 H LYS 54 13.345 13.816 7.381 403 HA LYS 54 HA LYS 54 11.683 15.300 7.793 404 HB2 LYS 54 2HB LYS 54 13.110 16.165 9.622 405 HB3 LYS 54 1HB LYS 54 13.862 17.282 8.493 406 HG2 LYS 54 2HG LYS 54 10.938 17.440 8.581 407 HG3 LYS 54 1HG LYS 54 11.745 17.862 10.090 408 HD2 LYS 54 2HD LYS 54 12.826 19.674 9.166 409 HD3 LYS 54 1HD LYS 54 12.749 19.015 7.528 410 HE2 LYS 54 2HE LYS 54 11.247 20.922 7.788 411 HE3 LYS 54 1HE LYS 54 10.349 19.438 7.463 412 HZ1 LYS 54 1HZ LYS 54 10.448 21.062 9.896 413 HZ2 LYS 54 2HZ LYS 54 10.271 19.387 10.085 414 HZ3 LYS 54 3HZ LYS 54 9.137 20.261 9.183 415 H GLU 55 H GLU 55 14.410 16.635 5.963 416 HA GLU 55 HA GLU 55 12.690 18.347 4.400 417 HB2 GLU 55 2HB GLU 55 15.633 17.708 4.315 418 HB3 GLU 55 1HB GLU 55 14.870 18.700 3.083 419 HG2 GLU 55 2HG GLU 55 14.126 19.673 5.656 420 HG3 GLU 55 1HG GLU 55 15.878 19.486 5.580 421 H ILE 56 H ILE 56 11.469 16.199 3.978 422 HA ILE 56 HA ILE 56 12.544 14.704 1.732 423 HB ILE 56 HB ILE 56 9.887 14.507 3.138 424 HG12 ILE 56 2HG1 ILE 56 10.979 12.148 3.589 425 HG13 ILE 56 1HG1 ILE 56 12.487 13.007 3.313 426 HG21 ILE 56 1HG2 ILE 56 11.055 12.844 0.936 427 HG22 ILE 56 2HG2 ILE 56 9.668 13.930 0.820 428 HG23 ILE 56 3HG2 ILE 56 9.577 12.486 1.826 429 HD11 ILE 56 1HD1 ILE 56 11.925 14.545 5.132 430 HD12 ILE 56 2HD1 ILE 56 11.996 12.866 5.666 431 HD13 ILE 56 3HD1 ILE 56 10.434 13.646 5.415 432 H LYS 57 H LYS 57 12.724 15.970 0.067 433 HA LYS 57 HA LYS 57 10.489 17.565 -0.862 434 HB2 LYS 57 2HB LYS 57 13.379 17.335 -1.470 435 HB3 LYS 57 1HB LYS 57 12.351 17.702 -2.845 436 HG2 LYS 57 2HG LYS 57 13.081 19.765 -2.009 437 HG3 LYS 57 1HG LYS 57 11.407 19.594 -1.484 438 HD2 LYS 57 2HD LYS 57 12.035 19.139 0.729 439 HD3 LYS 57 1HD LYS 57 13.709 18.801 0.278 440 HE2 LYS 57 2HE LYS 57 13.097 21.432 -0.578 441 HE3 LYS 57 1HE LYS 57 12.526 21.272 1.080 442 HZ1 LYS 57 1HZ LYS 57 14.619 20.973 1.880 443 HZ2 LYS 57 2HZ LYS 57 14.982 21.962 0.547 444 HZ3 LYS 57 3HZ LYS 57 15.209 20.283 0.442 445 HA PRO 58 HA PRO 58 8.823 14.528 -3.614 446 HB2 PRO 58 2HB PRO 58 9.204 16.431 -5.867 447 HB3 PRO 58 1HB PRO 58 7.736 15.612 -5.321 448 HG2 PRO 58 2HG PRO 58 8.117 18.203 -4.841 449 HG3 PRO 58 1HG PRO 58 7.343 17.154 -3.640 450 HD2 PRO 58 2HD PRO 58 10.123 18.239 -3.703 451 HD3 PRO 58 1HD PRO 58 9.044 17.976 -2.319 452 H GLN 59 H GLN 59 10.196 12.893 -3.885 453 HA GLN 59 HA GLN 59 12.591 13.251 -5.546 454 HB2 GLN 59 2HB GLN 59 11.808 11.212 -3.472 455 HB3 GLN 59 1HB GLN 59 13.149 10.938 -4.571 456 HG2 GLN 59 2HG GLN 59 14.498 12.364 -3.491 457 HG3 GLN 59 1HG GLN 59 13.194 13.498 -3.139 458 HE21 GLN 59 1HE2 GLN 59 12.002 13.266 -1.272 459 HE22 GLN 59 2HE2 GLN 59 12.481 12.212 0.017 460 H LYS 60 H LYS 60 12.823 12.205 -7.444 461 HA LYS 60 HA LYS 60 10.583 10.952 -8.643 462 HB2 LYS 60 2HB LYS 60 13.386 11.548 -9.523 463 HB3 LYS 60 1HB LYS 60 12.391 10.448 -10.466 464 HG2 LYS 60 2HG LYS 60 10.679 12.248 -10.631 465 HG3 LYS 60 1HG LYS 60 11.823 13.335 -9.844 466 HD2 LYS 60 2HD LYS 60 13.406 13.044 -11.649 467 HD3 LYS 60 1HD LYS 60 12.360 11.842 -12.411 468 HE2 LYS 60 2HE LYS 60 12.120 13.966 -13.540 469 HE3 LYS 60 1HE LYS 60 10.629 13.567 -12.692 470 HZ1 LYS 60 1HZ LYS 60 11.832 15.937 -12.538 471 HZ2 LYS 60 2HZ LYS 60 12.535 15.170 -11.194 472 HZ3 LYS 60 3HZ LYS 60 10.853 15.302 -11.307 473 H LEU 61 H LEU 61 10.427 8.829 -9.335 474 HA LEU 61 HA LEU 61 11.252 6.911 -7.492 475 HB2 LEU 61 2HB LEU 61 9.925 6.881 -10.113 476 HB3 LEU 61 1HB LEU 61 10.654 5.377 -9.591 477 HG LEU 61 HG LEU 61 8.453 6.940 -8.265 478 HD11 LEU 61 1HD1 LEU 61 7.257 4.835 -8.527 479 HD12 LEU 61 2HD1 LEU 61 8.679 4.109 -9.282 480 HD13 LEU 61 3HD1 LEU 61 7.838 5.440 -10.081 481 HD21 LEU 61 1HD2 LEU 61 9.986 4.590 -7.148 482 HD22 LEU 61 2HD2 LEU 61 8.541 5.320 -6.448 483 HD23 LEU 61 3HD2 LEU 61 10.041 6.246 -6.545 484 H GLY 62 H GLY 62 13.135 6.063 -7.167 485 HA2 GLY 62 2HA GLY 62 15.212 5.980 -9.129 486 HA3 GLY 62 1HA GLY 62 15.215 5.139 -7.572 487 H GLU 63 H GLU 63 16.148 3.799 -9.817 488 HA GLU 63 HA GLU 63 14.060 2.294 -11.076 489 HB2 GLU 63 2HB GLU 63 16.956 1.506 -10.979 490 HB3 GLU 63 1HB GLU 63 15.780 1.223 -12.261 491 HG2 GLU 63 2HG GLU 63 15.697 3.619 -12.705 492 HG3 GLU 63 1HG GLU 63 16.897 3.892 -11.446 493 H ASP 64 H ASP 64 14.470 2.239 -8.058 494 HA ASP 64 HA ASP 64 14.451 -0.696 -7.785 495 HB2 ASP 64 2HB ASP 64 16.364 0.938 -6.722 496 HB3 ASP 64 1HB ASP 64 15.216 0.828 -5.391 497 H GLU 65 H GLU 65 12.459 1.862 -7.776 498 HA GLU 65 HA GLU 65 10.800 0.753 -5.600 499 HB2 GLU 65 2HB GLU 65 11.644 3.507 -6.184 500 HB3 GLU 65 1HB GLU 65 9.988 3.304 -5.624 501 HG2 GLU 65 2HG GLU 65 11.063 1.903 -3.728 502 HG3 GLU 65 1HG GLU 65 12.549 2.727 -4.190 503 H SER 66 H SER 66 10.995 0.694 -8.628 504 HA SER 66 HA SER 66 9.147 1.726 -10.177 505 HB2 SER 66 2HB SER 66 9.150 -1.257 -10.137 506 HB3 SER 66 1HB SER 66 9.311 -0.150 -11.503 507 HG SER 66 HG SER 66 11.243 -1.355 -10.130 508 H ILE 67 H ILE 67 7.129 2.286 -9.967 509 HA ILE 67 HA ILE 67 5.303 0.914 -8.155 510 HB ILE 67 HB ILE 67 5.143 3.490 -9.707 511 HG12 ILE 67 2HG1 ILE 67 5.304 2.890 -6.756 512 HG13 ILE 67 1HG1 ILE 67 6.630 3.459 -7.767 513 HG21 ILE 67 1HG2 ILE 67 2.894 2.544 -9.576 514 HG22 ILE 67 2HG2 ILE 67 3.057 3.996 -8.586 515 HG23 ILE 67 3HG2 ILE 67 3.058 2.403 -7.825 516 HD11 ILE 67 1HD1 ILE 67 5.420 5.519 -8.191 517 HD12 ILE 67 2HD1 ILE 67 5.691 5.257 -6.468 518 HD13 ILE 67 3HD1 ILE 67 4.100 4.957 -7.166 519 HA PRO 68 HA PRO 68 3.025 -1.443 -11.201 520 HB2 PRO 68 2HB PRO 68 0.705 -0.220 -9.762 521 HB3 PRO 68 1HB PRO 68 0.970 -1.902 -10.237 522 HG2 PRO 68 2HG PRO 68 1.350 -1.158 -7.721 523 HG3 PRO 68 1HG PRO 68 2.463 -2.298 -8.500 524 HD2 PRO 68 2HD PRO 68 2.844 0.577 -7.840 525 HD3 PRO 68 1HD PRO 68 4.033 -0.739 -7.881 526 H GLU 69 H GLU 69 2.745 -0.833 -13.216 527 HA GLU 69 HA GLU 69 2.499 1.812 -14.082 528 HB2 GLU 69 2HB GLU 69 2.139 -0.822 -15.475 529 HB3 GLU 69 1HB GLU 69 1.980 0.709 -16.327 530 HG2 GLU 69 2HG GLU 69 4.204 1.147 -16.239 531 HG3 GLU 69 1HG GLU 69 4.419 0.315 -14.699 532 H GLU 70 H GLU 70 0.025 -0.020 -12.768 533 HA GLU 70 HA GLU 70 -2.008 1.265 -14.442 534 HB2 GLU 70 2HB GLU 70 -3.607 -0.200 -13.113 535 HB3 GLU 70 1HB GLU 70 -2.502 -1.021 -14.206 536 HG2 GLU 70 2HG GLU 70 -1.622 -0.686 -11.403 537 HG3 GLU 70 1HG GLU 70 -2.932 -1.827 -11.716 538 H ILE 71 H ILE 71 -0.405 1.793 -11.508 539 HA ILE 71 HA ILE 71 -2.638 3.502 -10.589 540 HB ILE 71 HB ILE 71 -1.917 3.210 -8.305 541 HG12 ILE 71 2HG1 ILE 71 0.226 1.357 -9.368 542 HG13 ILE 71 1HG1 ILE 71 0.513 2.995 -8.788 543 HG21 ILE 71 1HG2 ILE 71 -3.476 1.569 -9.170 544 HG22 ILE 71 2HG2 ILE 71 -2.385 0.818 -8.003 545 HG23 ILE 71 3HG2 ILE 71 -2.138 0.566 -9.731 546 HD11 ILE 71 1HD1 ILE 71 1.096 1.366 -7.099 547 HD12 ILE 71 2HD1 ILE 71 -0.532 0.688 -7.165 548 HD13 ILE 71 3HD1 ILE 71 -0.284 2.332 -6.573 549 H ILE 72 H ILE 72 0.636 3.298 -11.484 550 HA ILE 72 HA ILE 72 1.875 5.428 -10.199 551 HB ILE 72 HB ILE 72 2.807 3.614 -11.633 552 HG12 ILE 72 2HG1 ILE 72 3.894 5.954 -10.847 553 HG13 ILE 72 1HG1 ILE 72 4.803 4.683 -11.655 554 HG21 ILE 72 1HG2 ILE 72 2.098 5.495 -13.855 555 HG22 ILE 72 2HG2 ILE 72 1.503 3.851 -13.614 556 HG23 ILE 72 3HG2 ILE 72 3.200 4.125 -14.016 557 HD11 ILE 72 1HD1 ILE 72 5.269 6.880 -12.600 558 HD12 ILE 72 2HD1 ILE 72 3.563 7.090 -12.982 559 HD13 ILE 72 3HD1 ILE 72 4.499 5.833 -13.790 560 H ASN 73 H ASN 73 -0.483 5.521 -12.718 561 HA ASN 73 HA ASN 73 0.174 8.332 -13.219 562 HB2 ASN 73 2HB ASN 73 -0.482 6.215 -14.942 563 HB3 ASN 73 1HB ASN 73 -1.865 7.303 -14.961 564 HD21 ASN 73 1HD2 ASN 73 0.571 6.600 -16.758 565 HD22 ASN 73 2HD2 ASN 73 1.120 8.157 -17.294 566 H GLY 74 H GLY 74 -1.434 6.935 -10.979 567 HA2 GLY 74 2HA GLY 74 -3.740 8.806 -11.232 568 HA3 GLY 74 1HA GLY 74 -4.000 7.149 -10.722 569 H LYS 75 H LYS 75 -1.317 9.195 -9.716 570 HA LYS 75 HA LYS 75 -0.592 9.881 -7.676 571 HB2 LYS 75 2HB LYS 75 -2.799 11.198 -7.953 572 HB3 LYS 75 1HB LYS 75 -3.448 10.080 -6.765 573 HG2 LYS 75 2HG LYS 75 -2.658 11.414 -5.187 574 HG3 LYS 75 1HG LYS 75 -1.025 10.979 -5.706 575 HD2 LYS 75 2HD LYS 75 -1.112 12.819 -7.368 576 HD3 LYS 75 1HD LYS 75 -2.693 13.282 -6.737 577 HE2 LYS 75 2HE LYS 75 -1.642 13.617 -4.511 578 HE3 LYS 75 1HE LYS 75 -0.072 13.287 -5.244 579 HZ1 LYS 75 1HZ LYS 75 -1.904 15.533 -5.902 580 HZ2 LYS 75 2HZ LYS 75 -0.483 15.183 -6.757 581 HZ3 LYS 75 3HZ LYS 75 -0.395 15.641 -5.128 582 H CYS 76 H CYS 76 0.422 8.351 -6.586 583 HA CYS 76 HA CYS 76 -1.227 6.177 -5.453 584 HB2 CYS 76 2HB CYS 76 1.766 6.029 -5.657 585 HB3 CYS 76 1HB CYS 76 0.589 4.719 -5.594 586 HG CYS 76 HG CYS 76 -0.370 5.756 -8.261 587 H PHE 77 H PHE 77 -0.175 5.205 -3.452 588 HA PHE 77 HA PHE 77 1.029 7.220 -1.733 589 HB2 PHE 77 2HB PHE 77 -1.570 5.803 -1.118 590 HB3 PHE 77 1HB PHE 77 -0.618 6.674 0.081 591 HD1 PHE 77 1HD PHE 77 -0.037 9.134 -0.527 592 HD2 PHE 77 2HD PHE 77 -3.235 6.922 -2.246 593 HE1 PHE 77 1HE PHE 77 -1.134 11.235 -1.163 594 HE2 PHE 77 2HE PHE 77 -4.341 9.023 -2.896 595 HZ PHE 77 HZ PHE 77 -3.279 11.177 -2.373 596 H PHE 78 H PHE 78 2.786 6.271 -1.002 597 HA PHE 78 HA PHE 78 2.882 3.374 -0.775 598 HB2 PHE 78 2HB PHE 78 4.859 4.707 -1.575 599 HB3 PHE 78 1HB PHE 78 4.984 5.399 0.039 600 HD1 PHE 78 1HD PHE 78 5.079 2.195 -1.820 601 HD2 PHE 78 2HD PHE 78 6.179 4.289 1.717 602 HE1 PHE 78 1HE PHE 78 6.480 0.295 -1.139 603 HE2 PHE 78 2HE PHE 78 7.589 2.390 2.405 604 HZ PHE 78 HZ PHE 78 7.736 0.391 0.977 605 H ILE 79 H ILE 79 1.601 2.753 0.833 606 HA ILE 79 HA ILE 79 1.802 4.148 3.405 607 HB ILE 79 HB ILE 79 -0.267 3.247 4.025 608 HG12 ILE 79 2HG1 ILE 79 0.263 1.343 1.791 609 HG13 ILE 79 1HG1 ILE 79 -0.234 1.016 3.449 610 HG21 ILE 79 1HG2 ILE 79 -1.795 4.008 2.297 611 HG22 ILE 79 2HG2 ILE 79 -0.479 4.000 1.121 612 HG23 ILE 79 3HG2 ILE 79 -0.440 5.118 2.487 613 HD11 ILE 79 1HD1 ILE 79 -2.007 0.492 1.907 614 HD12 ILE 79 2HD1 ILE 79 -1.957 2.134 1.260 615 HD13 ILE 79 3HD1 ILE 79 -2.462 1.856 2.930 616 H HIS 80 H HIS 80 1.521 2.904 5.231 617 HA HIS 80 HA HIS 80 2.748 0.256 5.120 618 HB2 HIS 80 2HB HIS 80 4.445 1.453 6.114 619 HB3 HIS 80 1HB HIS 80 3.348 2.681 6.734 620 HD1 HIS 80 1HD HIS 80 4.646 -0.775 7.546 621 HD2 HIS 80 2HD HIS 80 2.498 2.335 9.274 622 HE1 HIS 80 1HE HIS 80 4.430 -1.374 9.997 623 HE2 HIS 80 2HE HIS 80 2.934 0.418 10.965 624 H TYR 81 H TYR 81 1.160 -1.125 5.593 625 HA TYR 81 HA TYR 81 -1.339 -0.461 6.567 626 HB2 TYR 81 2HB TYR 81 0.182 -3.055 6.589 627 HB3 TYR 81 1HB TYR 81 -1.464 -2.938 7.201 628 HD1 TYR 81 1HD TYR 81 0.650 -2.864 4.219 629 HD2 TYR 81 2HD TYR 81 -3.332 -2.552 5.677 630 HE1 TYR 81 1HE TYR 81 -0.201 -3.169 1.937 631 HE2 TYR 81 2HE TYR 81 -4.196 -2.854 3.393 632 HH TYR 81 HH TYR 81 -3.549 -2.721 1.143 633 H GLN 82 H GLN 82 -1.914 0.342 8.411 634 HA GLN 82 HA GLN 82 -0.291 0.686 10.642 635 HB2 GLN 82 2HB GLN 82 -3.266 0.835 10.260 636 HB3 GLN 82 1HB GLN 82 -2.529 1.151 11.823 637 HG2 GLN 82 2HG GLN 82 -1.373 2.607 9.543 638 HG3 GLN 82 1HG GLN 82 -3.024 3.047 9.991 639 HE21 GLN 82 1HE2 GLN 82 -3.415 3.928 12.018 640 HE22 GLN 82 2HE2 GLN 82 -2.152 4.605 12.984 641 H GLY 83 H GLY 83 -2.456 -1.946 9.861 642 HA2 GLY 83 2HA GLY 83 -2.107 -3.090 12.530 643 HA3 GLY 83 1HA GLY 83 -3.204 -3.679 11.289 644 H TRP 84 H TRP 84 -0.013 -2.979 10.239 645 HA TRP 84 HA TRP 84 0.859 -5.749 10.615 646 HB2 TRP 84 2HB TRP 84 0.800 -4.350 7.930 647 HB3 TRP 84 1HB TRP 84 1.549 -5.910 8.242 648 HD1 TRP 84 HD TRP 84 -1.771 -4.281 7.525 649 HE1 TRP 84 1HE TRP 84 -3.585 -6.091 7.257 650 HE3 TRP 84 3HE TRP 84 0.891 -8.324 9.142 651 HZ2 TRP 84 2HZ TRP 84 -3.848 -8.875 7.682 652 HZ3 TRP 84 3HZ TRP 84 -0.209 -10.523 9.181 653 HH2 TRP 84 HH TRP 84 -2.527 -10.790 8.466 654 H LYS 85 H LYS 85 3.169 -5.806 9.309 655 HA LYS 85 HA LYS 85 4.753 -3.753 10.670 656 HB2 LYS 85 2HB LYS 85 6.675 -5.286 10.164 657 HB3 LYS 85 1HB LYS 85 5.432 -5.998 11.183 658 HG2 LYS 85 2HG LYS 85 4.484 -7.049 9.105 659 HG3 LYS 85 1HG LYS 85 5.939 -6.509 8.268 660 HD2 LYS 85 2HD LYS 85 7.319 -7.780 9.837 661 HD3 LYS 85 1HD LYS 85 5.865 -8.319 10.677 662 HE2 LYS 85 2HE LYS 85 5.106 -9.500 8.719 663 HE3 LYS 85 1HE LYS 85 6.449 -8.865 7.770 664 HZ1 LYS 85 1HZ LYS 85 6.709 -10.664 10.117 665 HZ2 LYS 85 2HZ LYS 85 7.982 -10.082 9.166 666 HZ3 LYS 85 3HZ LYS 85 6.842 -11.144 8.498 667 H SER 86 H SER 86 6.972 -3.387 9.334 668 HA SER 86 HA SER 86 6.202 -1.836 7.089 669 HB2 SER 86 2HB SER 86 8.764 -2.456 8.462 670 HB3 SER 86 1HB SER 86 8.856 -1.845 6.809 671 HG SER 86 HG SER 86 7.557 -0.075 7.480 672 H SER 87 H SER 87 6.767 -5.145 7.302 673 HA SER 87 HA SER 87 7.912 -5.512 4.697 674 HB2 SER 87 2HB SER 87 6.419 -7.727 5.998 675 HB3 SER 87 1HB SER 87 8.022 -7.728 5.258 676 HG SER 87 HG SER 87 8.836 -7.456 7.172 677 H TRP 88 H TRP 88 4.954 -4.486 5.689 678 HA TRP 88 HA TRP 88 3.547 -5.709 3.411 679 HB2 TRP 88 2HB TRP 88 2.549 -4.630 6.044 680 HB3 TRP 88 1HB TRP 88 1.468 -4.843 4.671 681 HD1 TRP 88 HD TRP 88 3.650 -6.875 7.088 682 HE1 TRP 88 1HE TRP 88 2.758 -9.285 7.157 683 HE3 TRP 88 3HE TRP 88 0.129 -6.529 3.412 684 HZ2 TRP 88 2HZ TRP 88 0.808 -10.836 5.827 685 HZ3 TRP 88 3HZ TRP 88 -1.214 -8.517 2.873 686 HH2 TRP 88 HH TRP 88 -0.882 -10.626 4.055 687 H ASP 89 H ASP 89 5.242 -3.069 4.132 688 HA ASP 89 HA ASP 89 3.575 -0.912 3.408 689 HB2 ASP 89 2HB ASP 89 6.576 -1.270 3.261 690 HB3 ASP 89 1HB ASP 89 5.770 0.252 2.900 691 H GLU 90 H GLU 90 2.580 -0.662 1.528 692 HA GLU 90 HA GLU 90 3.963 -1.415 -0.955 693 HB2 GLU 90 2HB GLU 90 1.211 -2.242 -0.058 694 HB3 GLU 90 1HB GLU 90 1.634 -2.183 -1.763 695 HG2 GLU 90 2HG GLU 90 3.321 -3.735 0.154 696 HG3 GLU 90 1HG GLU 90 1.817 -4.413 -0.467 697 H TRP 91 H TRP 91 2.731 -0.583 -2.905 698 HA TRP 91 HA TRP 91 2.074 2.230 -2.461 699 HB2 TRP 91 2HB TRP 91 2.766 0.591 -4.887 700 HB3 TRP 91 1HB TRP 91 2.043 2.182 -5.051 701 HD1 TRP 91 HD TRP 91 5.313 0.467 -4.608 702 HE1 TRP 91 1HE TRP 91 7.192 2.215 -4.448 703 HE3 TRP 91 3HE TRP 91 2.474 4.682 -3.919 704 HZ2 TRP 91 2HZ TRP 91 7.435 5.000 -4.085 705 HZ3 TRP 91 3HZ TRP 91 3.635 6.842 -3.663 706 HH2 TRP 91 HH TRP 91 6.063 6.989 -3.737 707 H VAL 92 H VAL 92 -0.032 2.665 -2.109 708 HA VAL 92 HA VAL 92 -2.055 1.140 -3.632 709 HB VAL 92 HB VAL 92 -3.731 2.121 -2.055 710 HG11 VAL 92 1HG1 VAL 92 -2.885 -0.128 -1.728 711 HG12 VAL 92 2HG1 VAL 92 -3.160 0.657 -0.172 712 HG13 VAL 92 3HG1 VAL 92 -1.520 0.499 -0.803 713 HG21 VAL 92 1HG2 VAL 92 -2.513 4.083 -1.334 714 HG22 VAL 92 2HG2 VAL 92 -1.275 3.074 -0.586 715 HG23 VAL 92 3HG2 VAL 92 -2.918 3.081 0.058 716 H GLY 93 H GLY 93 -4.120 2.967 -3.643 717 HA2 GLY 93 2HA GLY 93 -3.178 5.545 -4.498 718 HA3 GLY 93 1HA GLY 93 -3.639 4.515 -5.850 719 H TYR 94 H TYR 94 -5.039 6.720 -5.678 720 HA TYR 94 HA TYR 94 -7.251 6.843 -3.964 721 HB2 TYR 94 2HB TYR 94 -6.682 7.890 -6.714 722 HB3 TYR 94 1HB TYR 94 -8.266 8.129 -5.981 723 HD1 TYR 94 1HD TYR 94 -7.977 8.923 -3.374 724 HD2 TYR 94 2HD TYR 94 -5.291 9.681 -6.569 725 HE1 TYR 94 1HE TYR 94 -7.118 10.874 -2.174 726 HE2 TYR 94 2HE TYR 94 -4.418 11.640 -5.392 727 HH TYR 94 HH TYR 94 -4.924 12.221 -2.155 728 H ASP 95 H ASP 95 -6.556 4.512 -6.134 729 HA ASP 95 HA ASP 95 -9.255 3.942 -7.067 730 HB2 ASP 95 2HB ASP 95 -7.543 3.592 -8.685 731 HB3 ASP 95 1HB ASP 95 -6.562 2.669 -7.555 732 H ARG 96 H ARG 96 -7.072 2.967 -4.566 733 HA ARG 96 HA ARG 96 -9.034 0.947 -3.683 734 HB2 ARG 96 2HB ARG 96 -6.026 0.676 -3.497 735 HB3 ARG 96 1HB ARG 96 -7.204 -0.476 -2.882 736 HG2 ARG 96 2HG ARG 96 -6.934 0.266 -5.782 737 HG3 ARG 96 1HG ARG 96 -6.136 -1.116 -5.033 738 HD2 ARG 96 2HD ARG 96 -8.027 -2.324 -4.943 739 HD3 ARG 96 1HD ARG 96 -9.026 -0.929 -4.531 740 HE ARG 96 HE ARG 96 -8.308 -0.561 -7.161 741 HH11 ARG 96 1HH1 ARG 96 -10.017 -3.049 -5.344 742 HH12 ARG 96 2HH1 ARG 96 -10.991 -3.527 -6.699 743 HH21 ARG 96 1HH2 ARG 96 -9.577 -1.202 -8.918 744 HH22 ARG 96 2HH2 ARG 96 -10.733 -2.486 -8.737 745 H ILE 97 H ILE 97 -7.247 3.701 -2.939 746 HA ILE 97 HA ILE 97 -7.165 3.169 -0.083 747 HB ILE 97 HB ILE 97 -5.304 4.334 -1.420 748 HG12 ILE 97 2HG1 ILE 97 -6.300 5.784 1.017 749 HG13 ILE 97 1HG1 ILE 97 -5.534 4.201 1.076 750 HG21 ILE 97 1HG2 ILE 97 -7.228 6.611 -1.099 751 HG22 ILE 97 2HG2 ILE 97 -6.630 5.927 -2.613 752 HG23 ILE 97 3HG2 ILE 97 -5.527 6.777 -1.528 753 HD11 ILE 97 1HD1 ILE 97 -4.269 6.722 0.038 754 HD12 ILE 97 2HD1 ILE 97 -3.497 5.140 0.135 755 HD13 ILE 97 3HD1 ILE 97 -3.966 5.987 1.610 756 H ARG 98 H ARG 98 -8.168 4.383 1.439 757 HA ARG 98 HA ARG 98 -10.378 6.145 0.618 758 HB2 ARG 98 2HB ARG 98 -10.634 4.143 2.864 759 HB3 ARG 98 1HB ARG 98 -11.910 5.075 2.091 760 HG2 ARG 98 2HG ARG 98 -10.372 3.142 0.442 761 HG3 ARG 98 1HG ARG 98 -11.561 2.520 1.592 762 HD2 ARG 98 2HD ARG 98 -12.834 2.774 -0.304 763 HD3 ARG 98 1HD ARG 98 -13.121 4.304 0.520 764 HE ARG 98 HE ARG 98 -10.939 4.645 -1.195 765 HH11 ARG 98 1HH1 ARG 98 -14.385 4.089 -1.326 766 HH12 ARG 98 2HH1 ARG 98 -14.564 4.723 -2.935 767 HH21 ARG 98 1HH2 ARG 98 -11.177 5.538 -3.310 768 HH22 ARG 98 2HH2 ARG 98 -12.751 5.577 -4.052 769 H ALA 99 H ALA 99 -11.256 7.167 2.856 770 HA ALA 99 HA ALA 99 -8.897 8.291 4.118 771 HB1 ALA 99 1HB ALA 99 -10.396 10.084 4.863 772 HB2 ALA 99 2HB ALA 99 -11.769 9.252 4.129 773 HB3 ALA 99 3HB ALA 99 -10.480 9.895 3.108 774 H TYR 100 H TYR 100 -8.419 7.581 6.050 775 HA TYR 100 HA TYR 100 -10.094 5.735 7.426 776 HB2 TYR 100 2HB TYR 100 -7.708 5.546 7.472 777 HB3 TYR 100 1HB TYR 100 -7.544 7.187 8.051 778 HD1 TYR 100 1HD TYR 100 -8.491 7.618 10.482 779 HD2 TYR 100 2HD TYR 100 -7.629 3.762 8.915 780 HE1 TYR 100 1HE TYR 100 -8.301 6.738 12.770 781 HE2 TYR 100 2HE TYR 100 -7.448 2.867 11.196 782 HH TYR 100 HH TYR 100 -8.575 4.381 13.879 783 H ASN 101 H ASN 101 -11.980 6.670 7.948 784 HA ASN 101 HA ASN 101 -12.014 8.484 10.177 785 HB2 ASN 101 2HB ASN 101 -13.227 10.260 9.203 786 HB3 ASN 101 1HB ASN 101 -11.962 9.919 8.032 787 HD21 ASN 101 1HD2 ASN 101 -12.503 8.940 6.083 788 HD22 ASN 101 2HD2 ASN 101 -14.129 8.903 5.494 789 H GLU 102 H GLU 102 -14.410 8.913 10.720 790 HA GLU 102 HA GLU 102 -15.567 6.561 11.510 791 HB2 GLU 102 2HB GLU 102 -17.339 8.889 10.912 792 HB3 GLU 102 1HB GLU 102 -17.374 7.790 12.280 793 HG2 GLU 102 2HG GLU 102 -16.594 9.728 13.230 794 HG3 GLU 102 1HG GLU 102 -15.098 8.860 12.890 795 H GLU 103 H GLU 103 -16.398 8.384 8.570 796 HA GLU 103 HA GLU 103 -18.661 6.889 7.867 797 HB2 GLU 103 2HB GLU 103 -18.068 9.086 6.909 798 HB3 GLU 103 1HB GLU 103 -16.756 8.325 6.016 799 HG2 GLU 103 2HG GLU 103 -18.528 6.839 4.978 800 HG3 GLU 103 1HG GLU 103 -19.712 7.953 5.655 801 H ASN 104 H ASN 104 -15.263 6.401 6.894 802 HA ASN 104 HA ASN 104 -16.029 4.186 5.174 803 HB2 ASN 104 2HB ASN 104 -13.351 5.414 5.843 804 HB3 ASN 104 1HB ASN 104 -13.536 4.011 4.793 805 HD21 ASN 104 1HD2 ASN 104 -14.530 4.264 2.781 806 HD22 ASN 104 2HD2 ASN 104 -14.703 5.816 2.042 807 H ILE 105 H ILE 105 -14.522 4.707 8.279 808 HA ILE 105 HA ILE 105 -13.633 2.041 8.656 809 HB ILE 105 HB ILE 105 -14.267 4.173 10.643 810 HG12 ILE 105 2HG1 ILE 105 -11.663 3.300 9.382 811 HG13 ILE 105 1HG1 ILE 105 -12.513 4.812 9.067 812 HG21 ILE 105 1HG2 ILE 105 -12.772 1.586 10.974 813 HG22 ILE 105 2HG2 ILE 105 -14.310 2.022 11.719 814 HG23 ILE 105 3HG2 ILE 105 -12.834 2.876 12.176 815 HD11 ILE 105 1HD1 ILE 105 -10.635 5.109 10.570 816 HD12 ILE 105 2HD1 ILE 105 -11.366 3.974 11.705 817 HD13 ILE 105 3HD1 ILE 105 -12.169 5.503 11.344 818 H ALA 106 H ALA 106 -16.583 3.805 9.326 819 HA ALA 106 HA ALA 106 -17.877 2.088 11.053 820 HB1 ALA 106 1HB ALA 106 -18.743 4.291 10.390 821 HB2 ALA 106 2HB ALA 106 -19.963 3.025 10.231 822 HB3 ALA 106 3HB ALA 106 -19.140 3.642 8.798 823 H MET 107 H MET 107 -17.342 1.846 7.623 824 HA MET 107 HA MET 107 -19.076 -0.443 7.324 825 HB2 MET 107 2HB MET 107 -18.214 1.330 5.495 826 HB3 MET 107 1HB MET 107 -16.953 0.119 5.311 827 HG2 MET 107 2HG MET 107 -18.764 -1.569 4.982 828 HG3 MET 107 1HG MET 107 -19.900 -0.221 4.909 829 HE1 MET 107 1HE MET 107 -20.494 -1.509 2.565 830 HE2 MET 107 2HE MET 107 -19.084 -2.564 2.594 831 HE3 MET 107 3HE MET 107 -19.399 -1.555 1.183 832 H LYS 108 H LYS 108 -15.594 0.206 7.399 833 HA LYS 108 HA LYS 108 -14.545 -2.285 6.969 834 HB2 LYS 108 2HB LYS 108 -13.161 -0.323 7.128 835 HB3 LYS 108 1HB LYS 108 -13.631 -0.068 8.801 836 HG2 LYS 108 2HG LYS 108 -12.559 -2.572 8.904 837 HG3 LYS 108 1HG LYS 108 -11.573 -1.791 7.665 838 HD2 LYS 108 2HD LYS 108 -11.675 0.174 9.522 839 HD3 LYS 108 1HD LYS 108 -11.749 -1.253 10.558 840 HE2 LYS 108 2HE LYS 108 -9.664 -0.745 8.442 841 HE3 LYS 108 1HE LYS 108 -9.444 -0.464 10.168 842 HZ1 LYS 108 1HZ LYS 108 -8.502 -2.571 9.501 843 HZ2 LYS 108 2HZ LYS 108 -9.999 -3.084 8.891 844 HZ3 LYS 108 3HZ LYS 108 -9.806 -2.825 10.556 845 H LYS 109 H LYS 109 -15.745 -0.925 9.975 846 HA LYS 109 HA LYS 109 -15.026 -3.037 11.688 847 HB2 LYS 109 2HB LYS 109 -17.476 -1.284 11.926 848 HB3 LYS 109 1HB LYS 109 -16.704 -2.182 13.224 849 HG2 LYS 109 2HG LYS 109 -15.463 0.103 11.715 850 HG3 LYS 109 1HG LYS 109 -16.206 0.206 13.312 851 HD2 LYS 109 2HD LYS 109 -14.434 -1.855 13.624 852 HD3 LYS 109 1HD LYS 109 -13.571 -0.778 12.521 853 HE2 LYS 109 2HE LYS 109 -13.540 0.968 14.040 854 HE3 LYS 109 1HE LYS 109 -14.922 0.344 14.940 855 HZ1 LYS 109 1HZ LYS 109 -12.729 0.132 16.077 856 HZ2 LYS 109 2HZ LYS 109 -12.273 -0.991 14.889 857 HZ3 LYS 109 3HZ LYS 109 -13.581 -1.328 15.916 858 H ARG 110 H ARG 110 -18.201 -2.347 10.248 859 HA ARG 110 HA ARG 110 -19.397 -4.800 10.982 860 HB2 ARG 110 2HB ARG 110 -20.582 -2.684 10.299 861 HB3 ARG 110 1HB ARG 110 -20.102 -3.007 8.642 862 HG2 ARG 110 2HG ARG 110 -21.377 -5.100 8.694 863 HG3 ARG 110 1HG ARG 110 -21.877 -4.730 10.346 864 HD2 ARG 110 2HD ARG 110 -22.846 -2.588 9.485 865 HD3 ARG 110 1HD ARG 110 -22.515 -3.168 7.853 866 HE ARG 110 HE ARG 110 -23.950 -5.197 8.840 867 HH11 ARG 110 1HH1 ARG 110 -24.482 -1.730 8.907 868 HH12 ARG 110 2HH1 ARG 110 -26.217 -1.859 9.007 869 HH21 ARG 110 1HH2 ARG 110 -26.227 -5.388 8.978 870 HH22 ARG 110 2HH2 ARG 110 -27.214 -3.961 9.055 871 H LEU 111 H LEU 111 -17.496 -3.751 8.337 872 HA LEU 111 HA LEU 111 -17.948 -5.832 6.515 873 HB2 LEU 111 2HB LEU 111 -15.997 -3.661 6.906 874 HB3 LEU 111 1HB LEU 111 -15.470 -4.977 5.901 875 HG LEU 111 HG LEU 111 -17.971 -3.432 5.483 876 HD11 LEU 111 1HD1 LEU 111 -16.037 -1.992 5.130 877 HD12 LEU 111 2HD1 LEU 111 -16.823 -2.358 3.594 878 HD13 LEU 111 3HD1 LEU 111 -15.338 -3.194 4.046 879 HD21 LEU 111 1HD2 LEU 111 -18.184 -5.606 4.567 880 HD22 LEU 111 2HD2 LEU 111 -16.629 -5.449 3.751 881 HD23 LEU 111 3HD2 LEU 111 -17.989 -4.438 3.259 882 H ALA 112 H ALA 112 -15.451 -5.434 9.041 883 HA ALA 112 HA ALA 112 -14.169 -7.828 8.137 884 HB1 ALA 112 1HB ALA 112 -12.888 -6.050 9.251 885 HB2 ALA 112 2HB ALA 112 -12.730 -7.587 10.100 886 HB3 ALA 112 3HB ALA 112 -13.791 -6.333 10.739 887 H ASN 113 H ASN 113 -16.903 -7.185 10.009 888 HA ASN 113 HA ASN 113 -16.707 -9.802 11.287 889 HB2 ASN 113 2HB ASN 113 -17.962 -8.988 12.969 890 HB3 ASN 113 1HB ASN 113 -17.694 -7.405 12.252 891 HD21 ASN 113 1HD2 ASN 113 -19.434 -6.252 11.913 892 HD22 ASN 113 2HD2 ASN 113 -21.044 -6.862 11.697 893 H GLU 114 H GLU 114 -18.377 -8.088 8.755 894 HA GLU 114 HA GLU 114 -20.197 -10.332 8.357 895 HB2 GLU 114 2HB GLU 114 -20.187 -7.499 7.418 896 HB3 GLU 114 1HB GLU 114 -21.113 -8.709 6.532 897 HG2 GLU 114 2HG GLU 114 -22.176 -9.332 8.730 898 HG3 GLU 114 1HG GLU 114 -21.419 -7.893 9.405 899 H ALA 115 H ALA 115 -17.496 -8.692 6.678 900 HA ALA 115 HA ALA 115 -17.940 -10.217 4.249 901 HB1 ALA 115 1HB ALA 115 -15.737 -9.334 3.581 902 HB2 ALA 115 2HB ALA 115 -15.524 -8.674 5.202 903 HB3 ALA 115 3HB ALA 115 -16.809 -8.056 4.164 904 H LYS 116 H LYS 116 -16.787 -10.862 7.269 905 HA LYS 116 HA LYS 116 -14.908 -12.928 6.456 906 HB2 LYS 116 2HB LYS 116 -13.953 -12.635 8.488 907 HB3 LYS 116 1HB LYS 116 -14.777 -11.089 8.390 908 HG2 LYS 116 2HG LYS 116 -16.070 -11.546 10.129 909 HG3 LYS 116 1HG LYS 116 -16.438 -13.170 9.544 910 HD2 LYS 116 2HD LYS 116 -13.701 -12.751 10.555 911 HD3 LYS 116 1HD LYS 116 -14.990 -12.662 11.760 912 HE2 LYS 116 2HE LYS 116 -15.366 -14.862 11.677 913 HE3 LYS 116 1HE LYS 116 -15.311 -14.890 9.914 914 HZ1 LYS 116 1HZ LYS 116 -13.558 -16.234 10.987 915 HZ2 LYS 116 2HZ LYS 116 -12.906 -14.819 11.657 916 HZ3 LYS 116 3HZ LYS 116 -12.936 -15.020 9.977 917 H GLU 117 H GLU 117 -18.104 -12.503 7.796 918 HA GLU 117 HA GLU 117 -18.329 -15.322 8.469 919 HB2 GLU 117 2HB GLU 117 -20.592 -14.742 9.245 920 HB3 GLU 117 1HB GLU 117 -19.356 -13.749 9.996 921 HG2 GLU 117 2HG GLU 117 -20.159 -11.853 9.118 922 HG3 GLU 117 1HG GLU 117 -20.534 -12.604 7.566 923 H ALA 118 H ALA 118 -19.397 -13.057 6.024 924 HA ALA 118 HA ALA 118 -20.641 -15.314 4.595 925 HB1 ALA 118 1HB ALA 118 -22.282 -13.610 5.244 926 HB2 ALA 118 2HB ALA 118 -22.110 -13.718 3.492 927 HB3 ALA 118 3HB ALA 118 -21.354 -12.390 4.371 928 H LYS 119 H LYS 119 -18.487 -15.775 3.805 929 HA LYS 119 HA LYS 119 -17.395 -13.848 1.909 930 HB2 LYS 119 2HB LYS 119 -15.910 -16.258 1.815 931 HB3 LYS 119 1HB LYS 119 -15.432 -14.720 2.518 932 HG2 LYS 119 2HG LYS 119 -16.487 -15.410 4.646 933 HG3 LYS 119 1HG LYS 119 -16.844 -16.980 3.924 934 HD2 LYS 119 2HD LYS 119 -14.439 -17.334 3.554 935 HD3 LYS 119 1HD LYS 119 -14.097 -15.784 4.327 936 HE2 LYS 119 2HE LYS 119 -13.747 -17.530 5.941 937 HE3 LYS 119 1HE LYS 119 -15.205 -16.638 6.386 938 HZ1 LYS 119 1HZ LYS 119 -16.566 -18.373 5.520 939 HZ2 LYS 119 2HZ LYS 119 -15.420 -19.091 6.543 940 HZ3 LYS 119 3HZ LYS 119 -15.231 -19.188 4.860 941 H LYS 120 H LYS 120 -18.962 -13.888 0.334 942 HA LYS 120 HA LYS 120 -19.781 -14.462 -1.706 943 HB2 LYS 120 2HB LYS 120 -17.406 -15.754 -1.723 944 HB3 LYS 120 1HB LYS 120 -18.501 -17.125 -1.829 945 HG2 LYS 120 2HG LYS 120 -17.861 -16.459 -4.037 946 HG3 LYS 120 1HG LYS 120 -19.566 -16.068 -3.797 947 HD2 LYS 120 2HD LYS 120 -18.961 -13.745 -3.313 948 HD3 LYS 120 1HD LYS 120 -17.259 -14.135 -3.571 949 HE2 LYS 120 2HE LYS 120 -19.433 -14.423 -5.635 950 HE3 LYS 120 1HE LYS 120 -18.330 -13.055 -5.521 951 HZ1 LYS 120 1HZ LYS 120 -16.589 -15.046 -5.589 952 HZ2 LYS 120 2HZ LYS 120 -17.181 -14.288 -6.986 953 HZ3 LYS 120 3HZ LYS 120 -17.847 -15.760 -6.477 Start of MODEL 9 1 H MET 1 1HT MET 1 -17.299 16.265 0.413 2 HA MET 1 HA MET 1 -15.429 14.788 0.829 3 HB2 MET 1 2HB MET 1 -16.004 14.064 -1.911 4 HB3 MET 1 1HB MET 1 -14.320 14.538 -1.736 5 HG2 MET 1 2HG MET 1 -15.738 12.430 -0.124 6 HG3 MET 1 1HG MET 1 -14.623 12.139 -1.457 7 HE1 MET 1 1HE MET 1 -12.945 10.656 -0.294 8 HE2 MET 1 2HE MET 1 -13.982 10.591 1.131 9 HE3 MET 1 3HE MET 1 -12.264 10.948 1.307 10 H VAL 2 H VAL 2 -14.672 16.677 1.690 11 HA VAL 2 HA VAL 2 -13.228 18.412 -0.196 12 HB VAL 2 HB VAL 2 -13.618 20.300 1.421 13 HG11 VAL 2 1HG1 VAL 2 -14.840 20.115 -0.690 14 HG12 VAL 2 2HG1 VAL 2 -15.849 20.811 0.574 15 HG13 VAL 2 3HG1 VAL 2 -16.067 19.126 0.102 16 HG21 VAL 2 1HG2 VAL 2 -15.734 18.449 2.515 17 HG22 VAL 2 2HG2 VAL 2 -15.504 20.143 2.951 18 HG23 VAL 2 3HG2 VAL 2 -14.270 18.953 3.359 19 H ASP 3 H ASP 3 -11.217 19.052 0.356 20 HA ASP 3 HA ASP 3 -9.167 18.995 1.337 21 HB2 ASP 3 2HB ASP 3 -10.878 18.808 3.818 22 HB3 ASP 3 1HB ASP 3 -9.118 18.868 3.885 23 H LEU 4 H LEU 4 -10.450 16.583 0.397 24 HA LEU 4 HA LEU 4 -10.035 14.369 2.042 25 HB2 LEU 4 2HB LEU 4 -10.113 13.047 -0.033 26 HB3 LEU 4 1HB LEU 4 -11.415 14.214 0.078 27 HG LEU 4 HG LEU 4 -8.993 15.053 -1.424 28 HD11 LEU 4 1HD1 LEU 4 -10.966 13.038 -2.495 29 HD12 LEU 4 2HD1 LEU 4 -9.247 12.772 -2.203 30 HD13 LEU 4 3HD1 LEU 4 -9.765 13.905 -3.452 31 HD21 LEU 4 1HD2 LEU 4 -11.955 15.326 -1.943 32 HD22 LEU 4 2HD2 LEU 4 -10.659 16.094 -2.865 33 HD23 LEU 4 3HD2 LEU 4 -10.924 16.537 -1.178 34 H GLU 5 H GLU 5 -7.849 15.962 -0.247 35 HA GLU 5 HA GLU 5 -5.813 13.987 -0.110 36 HB2 GLU 5 2HB GLU 5 -4.810 16.622 -0.758 37 HB3 GLU 5 1HB GLU 5 -4.870 15.164 -1.739 38 HG2 GLU 5 2HG GLU 5 -6.539 15.964 -2.931 39 HG3 GLU 5 1HG GLU 5 -7.495 16.284 -1.482 40 H GLN 6 H GLN 6 -6.842 15.613 2.401 41 HA GLN 6 HA GLN 6 -4.199 16.344 3.441 42 HB2 GLN 6 2HB GLN 6 -7.007 16.926 4.334 43 HB3 GLN 6 1HB GLN 6 -5.672 17.061 5.471 44 HG2 GLN 6 2HG GLN 6 -4.586 18.614 3.802 45 HG3 GLN 6 1HG GLN 6 -6.131 18.622 2.950 46 HE21 GLN 6 1HE2 GLN 6 -7.696 18.445 5.389 47 HE22 GLN 6 2HE2 GLN 6 -7.617 20.003 6.129 48 H GLU 7 H GLU 7 -6.472 13.877 3.379 49 HA GLU 7 HA GLU 7 -5.478 12.606 5.835 50 HB2 GLU 7 2HB GLU 7 -7.702 11.596 4.079 51 HB3 GLU 7 1HB GLU 7 -7.416 11.261 5.783 52 HG2 GLU 7 2HG GLU 7 -8.008 14.031 4.838 53 HG3 GLU 7 1HG GLU 7 -9.304 12.873 5.135 54 H PHE 8 H PHE 8 -4.959 12.736 2.577 55 HA PHE 8 HA PHE 8 -3.699 10.097 2.504 56 HB2 PHE 8 2HB PHE 8 -4.519 11.372 -0.050 57 HB3 PHE 8 1HB PHE 8 -4.437 9.664 0.363 58 HD1 PHE 8 1HD PHE 8 -6.535 11.811 -0.890 59 HD2 PHE 8 2HD PHE 8 -6.279 9.406 2.603 60 HE1 PHE 8 1HE PHE 8 -8.983 11.805 -0.731 61 HE2 PHE 8 2HE PHE 8 -8.727 9.399 2.769 62 HZ PHE 8 HZ PHE 8 -10.084 10.603 1.112 63 H ALA 9 H ALA 9 -2.220 11.693 3.516 64 HA ALA 9 HA ALA 9 -0.515 12.808 1.499 65 HB1 ALA 9 1HB ALA 9 -0.391 14.976 2.669 66 HB2 ALA 9 2HB ALA 9 -1.675 14.444 3.756 67 HB3 ALA 9 3HB ALA 9 -2.007 14.655 2.034 68 H LEU 10 H LEU 10 1.001 14.234 3.367 69 HA LEU 10 HA LEU 10 2.843 12.310 4.134 70 HB2 LEU 10 2HB LEU 10 2.408 15.175 4.718 71 HB3 LEU 10 1HB LEU 10 3.561 14.306 5.712 72 HG LEU 10 HG LEU 10 4.571 13.578 3.392 73 HD11 LEU 10 1HD1 LEU 10 2.793 14.519 2.030 74 HD12 LEU 10 2HD1 LEU 10 4.326 15.319 1.696 75 HD13 LEU 10 3HD1 LEU 10 3.117 16.122 2.693 76 HD21 LEU 10 1HD2 LEU 10 4.898 16.351 4.534 77 HD22 LEU 10 2HD2 LEU 10 6.034 15.549 3.448 78 HD23 LEU 10 3HD2 LEU 10 5.749 14.898 5.063 79 H GLY 11 H GLY 11 2.263 10.688 5.434 80 HA2 GLY 11 2HA GLY 11 2.029 9.623 7.451 81 HA3 GLY 11 1HA GLY 11 2.185 11.182 8.242 82 H GLY 12 H GLY 12 -0.249 10.750 5.838 83 HA2 GLY 12 2HA GLY 12 -2.296 11.268 7.805 84 HA3 GLY 12 1HA GLY 12 -2.530 11.090 6.069 85 H ARG 13 H ARG 13 -3.860 9.876 8.520 86 HA ARG 13 HA ARG 13 -3.324 7.050 8.017 87 HB2 ARG 13 2HB ARG 13 -3.733 8.125 10.393 88 HB3 ARG 13 1HB ARG 13 -5.427 7.970 9.944 89 HG2 ARG 13 2HG ARG 13 -4.747 5.515 9.362 90 HG3 ARG 13 1HG ARG 13 -3.405 5.845 10.454 91 HD2 ARG 13 2HD ARG 13 -6.300 6.247 11.183 92 HD3 ARG 13 1HD ARG 13 -5.388 4.780 11.540 93 HE ARG 13 HE ARG 13 -4.476 7.393 12.550 94 HH11 ARG 13 1HH1 ARG 13 -5.616 4.119 13.165 95 HH12 ARG 13 2HH1 ARG 13 -5.177 4.167 14.847 96 HH21 ARG 13 1HH2 ARG 13 -3.921 7.430 14.762 97 HH22 ARG 13 2HH2 ARG 13 -4.233 6.036 15.754 98 H CYS 14 H CYS 14 -4.486 5.990 6.617 99 HA CYS 14 HA CYS 14 -7.177 6.965 5.957 100 HB2 CYS 14 2HB CYS 14 -6.632 6.341 3.571 101 HB3 CYS 14 1HB CYS 14 -5.765 7.749 4.193 102 HG CYS 14 HG CYS 14 -3.343 6.649 4.332 103 H LEU 15 H LEU 15 -8.223 5.278 4.459 104 HA LEU 15 HA LEU 15 -7.738 2.581 5.543 105 HB2 LEU 15 2HB LEU 15 -10.264 4.027 4.814 106 HB3 LEU 15 1HB LEU 15 -10.195 2.286 4.620 107 HG LEU 15 HG LEU 15 -9.911 3.840 7.192 108 HD11 LEU 15 1HD1 LEU 15 -11.903 1.779 6.264 109 HD12 LEU 15 2HD1 LEU 15 -12.196 3.511 6.411 110 HD13 LEU 15 3HD1 LEU 15 -11.874 2.547 7.851 111 HD21 LEU 15 1HD2 LEU 15 -9.574 1.719 8.306 112 HD22 LEU 15 2HD2 LEU 15 -8.294 1.987 7.123 113 HD23 LEU 15 3HD2 LEU 15 -9.613 0.873 6.761 114 H ALA 16 H ALA 16 -7.446 0.952 3.976 115 HA ALA 16 HA ALA 16 -7.711 1.885 1.219 116 HB1 ALA 16 1HB ALA 16 -5.391 2.344 1.843 117 HB2 ALA 16 2HB ALA 16 -5.496 1.097 0.602 118 HB3 ALA 16 3HB ALA 16 -5.173 0.648 2.276 119 H PHE 17 H PHE 17 -8.150 0.341 -0.241 120 HA PHE 17 HA PHE 17 -9.300 -2.031 0.897 121 HB2 PHE 17 2HB PHE 17 -9.492 -0.599 -1.671 122 HB3 PHE 17 1HB PHE 17 -9.692 -2.349 -1.762 123 HD1 PHE 17 1HD PHE 17 -11.514 -3.452 -0.591 124 HD2 PHE 17 2HD PHE 17 -11.112 0.784 -0.565 125 HE1 PHE 17 1HE PHE 17 -13.838 -3.241 0.195 126 HE2 PHE 17 2HE PHE 17 -13.429 1.002 0.218 127 HZ PHE 17 HZ PHE 17 -14.797 -1.001 0.600 128 H HIS 18 H HIS 18 -8.182 -3.681 1.320 129 HA HIS 18 HA HIS 18 -6.107 -4.587 -0.556 130 HB2 HIS 18 2HB HIS 18 -5.450 -3.909 1.893 131 HB3 HIS 18 1HB HIS 18 -6.209 -5.436 2.333 132 HD2 HIS 18 2HD HIS 18 -4.174 -5.403 -0.950 133 HE1 HIS 18 1HE HIS 18 -1.892 -7.340 2.029 134 HE2 HIS 18 2HE HIS 18 -2.149 -6.940 -0.457 135 H GLY 19 H GLY 19 -7.220 -5.966 -1.787 136 HA2 GLY 19 2HA GLY 19 -8.325 -7.914 -2.339 137 HA3 GLY 19 1HA GLY 19 -8.243 -8.377 -0.640 138 HA PRO 20 HA PRO 20 -12.586 -7.283 -0.860 139 HB2 PRO 20 2HB PRO 20 -13.186 -8.926 1.323 140 HB3 PRO 20 1HB PRO 20 -13.234 -9.380 -0.381 141 HG2 PRO 20 2HG PRO 20 -11.474 -10.378 1.580 142 HG3 PRO 20 1HG PRO 20 -11.357 -10.628 -0.166 143 HD2 PRO 20 2HD PRO 20 -9.913 -8.683 1.567 144 HD3 PRO 20 1HD PRO 20 -9.366 -9.510 0.090 145 H LEU 21 H LEU 21 -10.396 -6.496 1.678 146 HA LEU 21 HA LEU 21 -12.596 -5.069 3.018 147 HB2 LEU 21 2HB LEU 21 -10.380 -6.654 4.239 148 HB3 LEU 21 1HB LEU 21 -11.113 -5.335 5.127 149 HG LEU 21 HG LEU 21 -12.351 -7.929 4.265 150 HD11 LEU 21 1HD1 LEU 21 -12.520 -6.486 6.896 151 HD12 LEU 21 2HD1 LEU 21 -11.181 -7.562 6.498 152 HD13 LEU 21 3HD1 LEU 21 -12.828 -8.191 6.556 153 HD21 LEU 21 1HD2 LEU 21 -14.514 -7.045 4.992 154 HD22 LEU 21 2HD2 LEU 21 -13.901 -6.190 3.576 155 HD23 LEU 21 3HD2 LEU 21 -13.795 -5.444 5.169 156 H MET 22 H MET 22 -11.953 -3.340 4.395 157 HA MET 22 HA MET 22 -9.981 -1.597 3.158 158 HB2 MET 22 2HB MET 22 -12.596 -1.222 4.224 159 HB3 MET 22 1HB MET 22 -11.495 -0.399 5.322 160 HG2 MET 22 2HG MET 22 -10.575 0.879 3.460 161 HG3 MET 22 1HG MET 22 -11.651 0.041 2.344 162 HE1 MET 22 1HE MET 22 -15.168 1.305 3.560 163 HE2 MET 22 2HE MET 22 -14.317 -0.148 4.079 164 HE3 MET 22 3HE MET 22 -14.311 0.316 2.378 165 H TYR 23 H TYR 23 -8.006 -1.677 4.087 166 HA TYR 23 HA TYR 23 -7.883 -2.326 6.950 167 HB2 TYR 23 2HB TYR 23 -5.905 -2.690 4.709 168 HB3 TYR 23 1HB TYR 23 -5.412 -2.763 6.399 169 HD1 TYR 23 1HD TYR 23 -5.988 -4.643 7.780 170 HD2 TYR 23 2HD TYR 23 -7.402 -4.403 3.775 171 HE1 TYR 23 1HE TYR 23 -6.669 -7.000 7.888 172 HE2 TYR 23 2HE TYR 23 -8.088 -6.762 3.869 173 HH TYR 23 HH TYR 23 -7.941 -8.595 6.874 174 H GLU 24 H GLU 24 -6.692 -1.112 8.356 175 HA GLU 24 HA GLU 24 -6.569 1.674 7.870 176 HB2 GLU 24 2HB GLU 24 -6.667 0.101 10.099 177 HB3 GLU 24 1HB GLU 24 -4.978 0.590 10.111 178 HG2 GLU 24 2HG GLU 24 -5.471 2.767 10.531 179 HG3 GLU 24 1HG GLU 24 -7.021 2.694 9.691 180 H ALA 25 H ALA 25 -4.802 2.986 7.422 181 HA ALA 25 HA ALA 25 -2.171 1.778 7.317 182 HB1 ALA 25 1HB ALA 25 -1.822 2.286 4.955 183 HB2 ALA 25 2HB ALA 25 -3.509 2.781 4.817 184 HB3 ALA 25 3HB ALA 25 -3.110 1.106 5.195 185 H LYS 26 H LYS 26 -0.474 3.234 7.045 186 HA LYS 26 HA LYS 26 -1.177 6.079 7.355 187 HB2 LYS 26 2HB LYS 26 0.184 4.466 9.173 188 HB3 LYS 26 1HB LYS 26 1.467 5.340 8.346 189 HG2 LYS 26 2HG LYS 26 0.145 7.449 8.850 190 HG3 LYS 26 1HG LYS 26 -0.824 6.451 9.940 191 HD2 LYS 26 2HD LYS 26 0.842 7.402 11.304 192 HD3 LYS 26 1HD LYS 26 1.380 5.749 11.001 193 HE2 LYS 26 2HE LYS 26 2.990 6.454 9.429 194 HE3 LYS 26 1HE LYS 26 2.295 8.071 9.327 195 HZ1 LYS 26 1HZ LYS 26 3.986 8.527 10.728 196 HZ2 LYS 26 2HZ LYS 26 4.098 6.942 11.318 197 HZ3 LYS 26 3HZ LYS 26 2.894 7.982 11.909 198 H ILE 27 H ILE 27 -0.581 7.230 5.673 199 HA ILE 27 HA ILE 27 1.084 6.140 3.628 200 HB ILE 27 HB ILE 27 0.036 8.957 3.895 201 HG12 ILE 27 2HG1 ILE 27 -1.195 7.186 1.921 202 HG13 ILE 27 1HG1 ILE 27 -1.429 6.643 3.576 203 HG21 ILE 27 1HG2 ILE 27 1.138 7.455 1.520 204 HG22 ILE 27 2HG2 ILE 27 1.900 8.815 2.346 205 HG23 ILE 27 3HG2 ILE 27 0.395 9.053 1.456 206 HD11 ILE 27 1HD1 ILE 27 -3.278 8.010 2.872 207 HD12 ILE 27 2HD1 ILE 27 -2.184 9.329 2.454 208 HD13 ILE 27 3HD1 ILE 27 -2.372 8.838 4.139 209 H LEU 28 H LEU 28 3.156 6.164 3.467 210 HA LEU 28 HA LEU 28 4.680 8.058 5.097 211 HB2 LEU 28 2HB LEU 28 4.919 5.295 4.668 212 HB3 LEU 28 1HB LEU 28 6.285 6.030 3.847 213 HG LEU 28 HG LEU 28 6.630 7.322 6.047 214 HD11 LEU 28 1HD1 LEU 28 4.519 6.735 7.091 215 HD12 LEU 28 2HD1 LEU 28 5.875 6.136 8.047 216 HD13 LEU 28 3HD1 LEU 28 4.950 5.024 7.036 217 HD21 LEU 28 1HD2 LEU 28 8.164 5.631 5.207 218 HD22 LEU 28 2HD2 LEU 28 7.153 4.357 5.889 219 HD23 LEU 28 3HD2 LEU 28 7.982 5.490 6.955 220 H LYS 29 H LYS 29 4.200 6.928 1.803 221 HA LYS 29 HA LYS 29 5.788 9.233 0.905 222 HB2 LYS 29 2HB LYS 29 5.838 6.709 -0.716 223 HB3 LYS 29 1HB LYS 29 6.998 8.027 -0.682 224 HG2 LYS 29 2HG LYS 29 7.373 7.174 1.787 225 HG3 LYS 29 1HG LYS 29 6.744 5.670 1.110 226 HD2 LYS 29 2HD LYS 29 8.989 7.202 -0.182 227 HD3 LYS 29 1HD LYS 29 9.273 6.000 1.077 228 HE2 LYS 29 2HE LYS 29 8.113 4.325 -0.319 229 HE3 LYS 29 1HE LYS 29 7.943 5.533 -1.593 230 HZ1 LYS 29 1HZ LYS 29 10.425 5.712 -1.545 231 HZ2 LYS 29 2HZ LYS 29 9.837 4.228 -2.108 232 HZ3 LYS 29 3HZ LYS 29 10.455 4.355 -0.529 233 H ILE 30 H ILE 30 4.492 10.544 -0.174 234 HA ILE 30 HA ILE 30 2.063 9.531 -1.425 235 HB ILE 30 HB ILE 30 3.136 12.325 -0.975 236 HG12 ILE 30 2HG1 ILE 30 0.969 12.541 0.289 237 HG13 ILE 30 1HG1 ILE 30 0.744 10.810 0.066 238 HG21 ILE 30 1HG2 ILE 30 0.614 11.560 -2.432 239 HG22 ILE 30 2HG2 ILE 30 2.043 12.314 -3.143 240 HG23 ILE 30 3HG2 ILE 30 1.077 13.196 -1.959 241 HD11 ILE 30 1HD1 ILE 30 1.629 11.291 2.251 242 HD12 ILE 30 2HD1 ILE 30 2.999 12.137 1.535 243 HD13 ILE 30 3HD1 ILE 30 2.812 10.401 1.294 244 H TRP 31 H TRP 31 1.689 9.588 -3.677 245 HA TRP 31 HA TRP 31 4.175 9.992 -5.202 246 HB2 TRP 31 2HB TRP 31 3.545 7.701 -5.269 247 HB3 TRP 31 1HB TRP 31 1.881 8.106 -5.690 248 HD1 TRP 31 HD TRP 31 1.354 8.450 -8.210 249 HE1 TRP 31 1HE TRP 31 2.742 8.267 -10.381 250 HE3 TRP 31 3HE TRP 31 5.942 8.283 -6.107 251 HZ2 TRP 31 2HZ TRP 31 5.464 8.074 -11.064 252 HZ3 TRP 31 3HZ TRP 31 7.915 8.112 -7.577 253 HH2 TRP 31 HH TRP 31 7.666 8.010 -9.994 254 H ASP 32 H ASP 32 4.206 11.492 -6.716 255 HA ASP 32 HA ASP 32 1.687 12.696 -7.618 256 HB2 ASP 32 2HB ASP 32 3.008 14.457 -6.879 257 HB3 ASP 32 1HB ASP 32 4.507 13.686 -7.393 258 HA PRO 33 HA PRO 33 2.569 10.474 -11.428 259 HB2 PRO 33 2HB PRO 33 0.140 10.686 -12.496 260 HB3 PRO 33 1HB PRO 33 0.427 9.662 -11.085 261 HG2 PRO 33 2HG PRO 33 -0.775 12.401 -11.226 262 HG3 PRO 33 1HG PRO 33 -1.268 11.008 -10.244 263 HD2 PRO 33 2HD PRO 33 0.277 13.119 -9.335 264 HD3 PRO 33 1HD PRO 33 0.218 11.510 -8.591 265 H SER 34 H SER 34 2.450 13.688 -10.993 266 HA SER 34 HA SER 34 2.018 14.402 -13.796 267 HB2 SER 34 2HB SER 34 2.570 16.272 -11.490 268 HB3 SER 34 1HB SER 34 1.919 16.686 -13.076 269 HG SER 34 HG SER 34 0.558 14.808 -11.502 270 H SER 35 H SER 35 4.577 14.142 -11.431 271 HA SER 35 HA SER 35 6.455 15.065 -13.504 272 HB2 SER 35 2HB SER 35 7.328 15.066 -10.661 273 HB3 SER 35 1HB SER 35 7.691 16.209 -11.956 274 HG SER 35 HG SER 35 5.290 15.998 -10.442 275 H LYS 36 H LYS 36 5.631 12.706 -11.109 276 HA LYS 36 HA LYS 36 5.975 10.473 -11.166 277 HB2 LYS 36 2HB LYS 36 6.687 10.679 -13.599 278 HB3 LYS 36 1HB LYS 36 8.338 10.782 -12.992 279 HG2 LYS 36 2HG LYS 36 8.041 8.644 -11.862 280 HG3 LYS 36 1HG LYS 36 6.410 8.536 -12.527 281 HD2 LYS 36 2HD LYS 36 8.808 8.876 -14.306 282 HD3 LYS 36 1HD LYS 36 8.307 7.283 -13.739 283 HE2 LYS 36 2HE LYS 36 6.139 7.550 -14.769 284 HE3 LYS 36 1HE LYS 36 6.523 9.208 -15.232 285 HZ1 LYS 36 1HZ LYS 36 7.988 8.502 -16.864 286 HZ2 LYS 36 2HZ LYS 36 6.755 7.341 -16.968 287 HZ3 LYS 36 3HZ LYS 36 8.202 6.964 -16.170 288 H MET 37 H MET 37 6.649 12.101 -9.355 289 HA MET 37 HA MET 37 8.975 10.912 -8.145 290 HB2 MET 37 2HB MET 37 9.107 13.263 -6.958 291 HB3 MET 37 1HB MET 37 9.879 13.019 -8.517 292 HG2 MET 37 2HG MET 37 7.687 13.917 -9.507 293 HG3 MET 37 1HG MET 37 7.368 14.504 -7.874 294 HE1 MET 37 1HE MET 37 9.822 14.696 -10.963 295 HE2 MET 37 2HE MET 37 10.870 14.165 -9.646 296 HE3 MET 37 3HE MET 37 11.068 15.774 -10.340 297 H TYR 38 H TYR 38 8.699 11.407 -5.695 298 HA TYR 38 HA TYR 38 5.909 11.319 -4.961 299 HB2 TYR 38 2HB TYR 38 6.216 9.302 -3.594 300 HB3 TYR 38 1HB TYR 38 6.493 8.974 -5.300 301 HD1 TYR 38 1HD TYR 38 8.689 8.350 -6.102 302 HD2 TYR 38 2HD TYR 38 8.026 9.253 -2.006 303 HE1 TYR 38 1HE TYR 38 10.841 7.323 -5.532 304 HE2 TYR 38 2HE TYR 38 10.177 8.230 -1.421 305 HH TYR 38 HH TYR 38 12.560 7.645 -3.503 306 H THR 39 H THR 39 5.711 11.667 -2.567 307 HA THR 39 HA THR 39 8.145 12.941 -1.520 308 HB THR 39 HB THR 39 6.891 14.629 -0.496 309 HG1 THR 39 1HG THR 39 5.020 13.204 -0.004 310 HG21 THR 39 1HG2 THR 39 5.797 14.214 -3.258 311 HG22 THR 39 2HG2 THR 39 7.319 15.007 -2.842 312 HG23 THR 39 3HG2 THR 39 5.783 15.737 -2.367 313 H SER 40 H SER 40 8.958 11.809 0.012 314 HA SER 40 HA SER 40 7.310 10.031 1.625 315 HB2 SER 40 2HB SER 40 9.503 9.378 0.417 316 HB3 SER 40 1HB SER 40 10.313 10.235 1.725 317 HG SER 40 HG SER 40 9.957 8.588 2.974 318 H ILE 41 H ILE 41 8.114 9.785 3.957 319 HA ILE 41 HA ILE 41 8.835 12.415 5.092 320 HB ILE 41 HB ILE 41 7.046 10.545 6.614 321 HG12 ILE 41 2HG1 ILE 41 5.596 12.700 5.313 322 HG13 ILE 41 1HG1 ILE 41 6.279 11.560 4.157 323 HG21 ILE 41 1HG2 ILE 41 7.395 13.535 6.643 324 HG22 ILE 41 2HG2 ILE 41 8.084 12.393 7.795 325 HG23 ILE 41 3HG2 ILE 41 6.335 12.610 7.709 326 HD11 ILE 41 1HD1 ILE 41 4.021 10.944 4.786 327 HD12 ILE 41 2HD1 ILE 41 4.510 10.859 6.481 328 HD13 ILE 41 3HD1 ILE 41 5.186 9.726 5.309 329 HA PRO 42 HA PRO 42 11.819 9.695 6.956 330 HB2 PRO 42 2HB PRO 42 13.143 11.844 8.231 331 HB3 PRO 42 1HB PRO 42 13.568 11.091 6.694 332 HG2 PRO 42 2HG PRO 42 12.608 13.700 7.076 333 HG3 PRO 42 1HG PRO 42 12.761 12.850 5.531 334 HD2 PRO 42 2HD PRO 42 10.360 13.313 7.206 335 HD3 PRO 42 1HD PRO 42 10.488 13.098 5.449 336 H ASN 43 H ASN 43 11.091 8.537 8.584 337 HA ASN 43 HA ASN 43 10.075 9.863 10.987 338 HB2 ASN 43 2HB ASN 43 8.938 7.853 9.787 339 HB3 ASN 43 1HB ASN 43 10.180 6.883 10.576 340 HD21 ASN 43 1HD2 ASN 43 8.846 9.756 12.016 341 HD22 ASN 43 2HD2 ASN 43 7.968 8.959 13.277 342 H ASP 44 H ASP 44 12.743 8.192 9.716 343 HA ASP 44 HA ASP 44 14.146 8.388 12.282 344 HB2 ASP 44 2HB ASP 44 15.430 6.383 11.746 345 HB3 ASP 44 1HB ASP 44 13.712 6.010 11.765 346 H LYS 45 H LYS 45 15.811 9.733 12.166 347 HA LYS 45 HA LYS 45 16.838 10.386 9.482 348 HB2 LYS 45 2HB LYS 45 16.359 12.145 11.874 349 HB3 LYS 45 1HB LYS 45 17.434 12.631 10.573 350 HG2 LYS 45 2HG LYS 45 15.552 13.587 9.795 351 HG3 LYS 45 1HG LYS 45 15.290 11.978 9.123 352 HD2 LYS 45 2HD LYS 45 13.259 12.499 10.121 353 HD3 LYS 45 1HD LYS 45 14.064 11.496 11.330 354 HE2 LYS 45 2HE LYS 45 14.778 13.491 12.531 355 HE3 LYS 45 1HE LYS 45 14.029 14.512 11.306 356 HZ1 LYS 45 1HZ LYS 45 12.635 14.304 13.251 357 HZ2 LYS 45 2HZ LYS 45 12.591 12.616 13.087 358 HZ3 LYS 45 3HZ LYS 45 11.872 13.604 11.907 359 HA PRO 46 HA PRO 46 20.757 9.020 11.068 360 HB2 PRO 46 2HB PRO 46 22.217 9.658 8.873 361 HB3 PRO 46 1HB PRO 46 21.166 8.239 8.940 362 HG2 PRO 46 2HG PRO 46 20.656 10.917 7.702 363 HG3 PRO 46 1HG PRO 46 20.275 9.301 7.077 364 HD2 PRO 46 2HD PRO 46 18.421 10.896 8.269 365 HD3 PRO 46 1HD PRO 46 18.362 9.122 8.341 366 H GLY 47 H GLY 47 19.964 12.200 9.914 367 HA2 GLY 47 2HA GLY 47 20.563 14.177 11.052 368 HA3 GLY 47 1HA GLY 47 21.933 13.337 11.752 369 H GLY 48 H GLY 48 23.641 12.679 10.104 370 HA2 GLY 48 2HA GLY 48 24.466 15.075 8.758 371 HA3 GLY 48 1HA GLY 48 25.365 13.573 8.857 372 H SER 49 H SER 49 22.445 14.892 7.308 373 HA SER 49 HA SER 49 23.410 14.058 4.711 374 HB2 SER 49 2HB SER 49 20.696 13.036 5.530 375 HB3 SER 49 1HB SER 49 21.646 12.610 4.109 376 HG SER 49 HG SER 49 23.173 11.976 6.098 377 H SER 50 H SER 50 23.002 15.731 3.427 378 HA SER 50 HA SER 50 21.063 17.723 4.140 379 HB2 SER 50 2HB SER 50 21.935 18.312 1.584 380 HB3 SER 50 1HB SER 50 22.702 18.865 3.076 381 HG SER 50 HG SER 50 24.218 17.818 1.745 382 H GLN 51 H GLN 51 21.525 15.652 1.264 383 HA GLN 51 HA GLN 51 18.646 15.923 0.727 384 HB2 GLN 51 2HB GLN 51 20.652 14.924 -1.274 385 HB3 GLN 51 1HB GLN 51 19.070 15.639 -1.559 386 HG2 GLN 51 2HG GLN 51 19.935 17.791 -0.748 387 HG3 GLN 51 1HG GLN 51 21.528 17.057 -0.575 388 HE21 GLN 51 1HE2 GLN 51 22.725 16.587 -2.392 389 HE22 GLN 51 2HE2 GLN 51 22.322 17.186 -3.963 390 H ALA 52 H ALA 52 18.158 14.290 2.264 391 HA ALA 52 HA ALA 52 17.924 11.696 1.165 392 HB1 ALA 52 1HB ALA 52 19.910 11.947 3.429 393 HB2 ALA 52 2HB ALA 52 20.288 11.512 1.762 394 HB3 ALA 52 3HB ALA 52 19.300 10.437 2.750 395 H THR 53 H THR 53 18.113 13.530 4.183 396 HA THR 53 HA THR 53 15.529 12.361 4.924 397 HB THR 53 HB THR 53 17.739 11.630 6.204 398 HG1 THR 53 1HG THR 53 15.713 10.830 6.718 399 HG21 THR 53 1HG2 THR 53 18.414 13.875 6.878 400 HG22 THR 53 2HG2 THR 53 18.023 12.890 8.286 401 HG23 THR 53 3HG2 THR 53 16.874 14.098 7.710 402 H LYS 54 H LYS 54 17.465 15.164 4.580 403 HA LYS 54 HA LYS 54 15.586 16.802 6.083 404 HB2 LYS 54 2HB LYS 54 18.215 17.402 4.740 405 HB3 LYS 54 1HB LYS 54 17.190 18.654 5.425 406 HG2 LYS 54 2HG LYS 54 17.338 17.421 7.614 407 HG3 LYS 54 1HG LYS 54 18.578 16.412 6.866 408 HD2 LYS 54 2HD LYS 54 19.854 18.495 6.349 409 HD3 LYS 54 1HD LYS 54 18.662 19.397 7.286 410 HE2 LYS 54 2HE LYS 54 19.189 17.980 9.245 411 HE3 LYS 54 1HE LYS 54 20.458 17.201 8.299 412 HZ1 LYS 54 1HZ LYS 54 21.483 18.868 9.590 413 HZ2 LYS 54 2HZ LYS 54 20.327 20.034 9.169 414 HZ3 LYS 54 3HZ LYS 54 21.435 19.481 8.010 415 H GLU 55 H GLU 55 14.069 18.015 5.163 416 HA GLU 55 HA GLU 55 12.635 18.852 3.626 417 HB2 GLU 55 2HB GLU 55 15.169 19.348 2.055 418 HB3 GLU 55 1HB GLU 55 13.615 20.114 1.766 419 HG2 GLU 55 2HG GLU 55 15.221 20.378 4.297 420 HG3 GLU 55 1HG GLU 55 15.189 21.553 2.982 421 H ILE 56 H ILE 56 11.716 16.766 3.266 422 HA ILE 56 HA ILE 56 12.581 15.203 1.018 423 HB ILE 56 HB ILE 56 9.976 15.020 2.506 424 HG12 ILE 56 2HG1 ILE 56 11.912 14.666 4.000 425 HG13 ILE 56 1HG1 ILE 56 11.039 13.163 3.723 426 HG21 ILE 56 1HG2 ILE 56 9.910 14.035 0.296 427 HG22 ILE 56 2HG2 ILE 56 9.934 12.756 1.514 428 HG23 ILE 56 3HG2 ILE 56 11.400 13.150 0.616 429 HD11 ILE 56 1HD1 ILE 56 13.618 13.988 2.399 430 HD12 ILE 56 2HD1 ILE 56 12.738 12.493 2.083 431 HD13 ILE 56 3HD1 ILE 56 13.431 12.788 3.678 432 H LYS 57 H LYS 57 12.576 16.574 -0.694 433 HA LYS 57 HA LYS 57 10.076 17.782 -1.546 434 HB2 LYS 57 2HB LYS 57 12.789 17.704 -2.901 435 HB3 LYS 57 1HB LYS 57 11.414 18.683 -3.399 436 HG2 LYS 57 2HG LYS 57 11.553 20.006 -1.412 437 HG3 LYS 57 1HG LYS 57 12.779 18.936 -0.729 438 HD2 LYS 57 2HD LYS 57 14.255 19.545 -2.656 439 HD3 LYS 57 1HD LYS 57 13.056 20.758 -3.115 440 HE2 LYS 57 2HE LYS 57 14.467 20.618 -0.456 441 HE3 LYS 57 1HE LYS 57 14.897 21.703 -1.777 442 HZ1 LYS 57 1HZ LYS 57 13.526 22.814 -0.114 443 HZ2 LYS 57 2HZ LYS 57 12.289 21.680 -0.348 444 HZ3 LYS 57 3HZ LYS 57 12.719 22.732 -1.606 445 HA PRO 58 HA PRO 58 8.651 14.530 -4.129 446 HB2 PRO 58 2HB PRO 58 8.992 16.275 -6.523 447 HB3 PRO 58 1HB PRO 58 7.574 15.370 -5.983 448 HG2 PRO 58 2HG PRO 58 7.708 18.007 -5.657 449 HG3 PRO 58 1HG PRO 58 6.984 16.967 -4.417 450 HD2 PRO 58 2HD PRO 58 9.638 18.324 -4.435 451 HD3 PRO 58 1HD PRO 58 8.544 17.987 -3.077 452 H GLN 59 H GLN 59 10.077 12.923 -4.232 453 HA GLN 59 HA GLN 59 12.474 13.212 -5.907 454 HB2 GLN 59 2HB GLN 59 11.785 11.227 -3.744 455 HB3 GLN 59 1HB GLN 59 13.228 11.131 -4.744 456 HG2 GLN 59 2HG GLN 59 14.274 12.751 -3.625 457 HG3 GLN 59 1HG GLN 59 12.808 13.720 -3.456 458 HE21 GLN 59 1HE2 GLN 59 12.965 14.176 -1.363 459 HE22 GLN 59 2HE2 GLN 59 12.899 13.005 -0.097 460 H LYS 60 H LYS 60 12.630 12.195 -7.733 461 HA LYS 60 HA LYS 60 10.534 10.702 -8.860 462 HB2 LYS 60 2HB LYS 60 11.895 11.960 -10.349 463 HB3 LYS 60 1HB LYS 60 13.372 11.229 -9.740 464 HG2 LYS 60 2HG LYS 60 12.960 9.209 -10.845 465 HG3 LYS 60 1HG LYS 60 11.263 9.606 -11.116 466 HD2 LYS 60 2HD LYS 60 13.494 11.210 -12.327 467 HD3 LYS 60 1HD LYS 60 12.830 9.777 -13.112 468 HE2 LYS 60 2HE LYS 60 10.549 10.919 -12.786 469 HE3 LYS 60 1HE LYS 60 11.487 12.384 -12.504 470 HZ1 LYS 60 1HZ LYS 60 12.544 12.050 -14.673 471 HZ2 LYS 60 2HZ LYS 60 10.859 12.224 -14.818 472 HZ3 LYS 60 3HZ LYS 60 11.568 10.690 -14.937 473 H LEU 61 H LEU 61 10.323 8.544 -9.224 474 HA LEU 61 HA LEU 61 11.210 6.717 -7.379 475 HB2 LEU 61 2HB LEU 61 10.230 6.424 -10.188 476 HB3 LEU 61 1HB LEU 61 10.724 5.008 -9.269 477 HG LEU 61 HG LEU 61 8.487 6.932 -8.608 478 HD11 LEU 61 1HD1 LEU 61 8.508 3.966 -9.205 479 HD12 LEU 61 2HD1 LEU 61 7.992 5.235 -10.315 480 HD13 LEU 61 3HD1 LEU 61 7.091 4.946 -8.826 481 HD21 LEU 61 1HD2 LEU 61 9.596 4.653 -6.977 482 HD22 LEU 61 2HD2 LEU 61 8.088 5.509 -6.648 483 HD23 LEU 61 3HD2 LEU 61 9.627 6.366 -6.563 484 H GLY 62 H GLY 62 13.177 6.163 -6.869 485 HA2 GLY 62 2HA GLY 62 15.397 6.454 -8.637 486 HA3 GLY 62 1HA GLY 62 15.447 5.846 -6.997 487 H GLU 63 H GLU 63 13.874 4.656 -9.963 488 HA GLU 63 HA GLU 63 14.094 2.756 -11.176 489 HB2 GLU 63 2HB GLU 63 16.731 2.375 -9.775 490 HB3 GLU 63 1HB GLU 63 16.215 1.591 -11.262 491 HG2 GLU 63 2HG GLU 63 16.009 4.441 -11.508 492 HG3 GLU 63 1HG GLU 63 17.626 3.981 -10.981 493 H ASP 64 H ASP 64 15.028 2.161 -7.797 494 HA ASP 64 HA ASP 64 13.922 -0.571 -8.021 495 HB2 ASP 64 2HB ASP 64 16.259 -0.301 -7.151 496 HB3 ASP 64 1HB ASP 64 15.613 0.620 -5.801 497 H GLU 65 H GLU 65 12.402 1.821 -7.942 498 HA GLU 65 HA GLU 65 10.862 1.432 -5.465 499 HB2 GLU 65 2HB GLU 65 11.897 3.892 -6.799 500 HB3 GLU 65 1HB GLU 65 10.404 3.992 -5.856 501 HG2 GLU 65 2HG GLU 65 13.032 2.967 -4.787 502 HG3 GLU 65 1HG GLU 65 12.478 4.633 -4.623 503 H SER 66 H SER 66 10.897 0.800 -8.493 504 HA SER 66 HA SER 66 9.022 1.873 -10.057 505 HB2 SER 66 2HB SER 66 8.905 -1.086 -9.877 506 HB3 SER 66 1HB SER 66 9.138 -0.041 -11.281 507 HG SER 66 HG SER 66 11.098 -0.982 -10.901 508 H ILE 67 H ILE 67 7.000 2.378 -9.960 509 HA ILE 67 HA ILE 67 5.194 1.080 -8.034 510 HB ILE 67 HB ILE 67 5.137 3.727 -9.461 511 HG12 ILE 67 2HG1 ILE 67 5.075 3.042 -6.531 512 HG13 ILE 67 1HG1 ILE 67 6.530 3.479 -7.425 513 HG21 ILE 67 1HG2 ILE 67 2.934 2.565 -7.786 514 HG22 ILE 67 2HG2 ILE 67 2.868 2.924 -9.512 515 HG23 ILE 67 3HG2 ILE 67 3.025 4.236 -8.343 516 HD11 ILE 67 1HD1 ILE 67 5.568 5.662 -7.905 517 HD12 ILE 67 2HD1 ILE 67 5.662 5.356 -6.171 518 HD13 ILE 67 3HD1 ILE 67 4.115 5.220 -7.008 519 HA PRO 68 HA PRO 68 2.921 -1.103 -11.231 520 HB2 PRO 68 2HB PRO 68 0.597 0.012 -9.720 521 HB3 PRO 68 1HB PRO 68 0.874 -1.638 -10.288 522 HG2 PRO 68 2HG PRO 68 1.229 -1.011 -7.730 523 HG3 PRO 68 1HG PRO 68 2.333 -2.132 -8.552 524 HD2 PRO 68 2HD PRO 68 2.765 0.697 -7.734 525 HD3 PRO 68 1HD PRO 68 3.933 -0.633 -7.870 526 H GLU 69 H GLU 69 2.675 -0.283 -13.215 527 HA GLU 69 HA GLU 69 2.383 2.450 -13.749 528 HB2 GLU 69 2HB GLU 69 2.431 -0.022 -15.377 529 HB3 GLU 69 1HB GLU 69 1.767 1.424 -16.131 530 HG2 GLU 69 2HG GLU 69 3.786 2.609 -15.868 531 HG3 GLU 69 1HG GLU 69 4.431 1.407 -14.752 532 H GLU 70 H GLU 70 -0.010 0.155 -12.985 533 HA GLU 70 HA GLU 70 -2.110 1.525 -14.399 534 HB2 GLU 70 2HB GLU 70 -3.634 0.013 -13.188 535 HB3 GLU 70 1HB GLU 70 -2.346 -0.852 -14.006 536 HG2 GLU 70 2HG GLU 70 -1.843 -0.140 -11.195 537 HG3 GLU 70 1HG GLU 70 -3.095 -1.344 -11.489 538 H ILE 71 H ILE 71 -0.429 2.037 -11.472 539 HA ILE 71 HA ILE 71 -2.609 3.812 -10.568 540 HB ILE 71 HB ILE 71 -1.897 3.533 -8.288 541 HG12 ILE 71 2HG1 ILE 71 0.152 1.543 -9.268 542 HG13 ILE 71 1HG1 ILE 71 0.536 3.205 -8.823 543 HG21 ILE 71 1HG2 ILE 71 -3.507 1.933 -9.175 544 HG22 ILE 71 2HG2 ILE 71 -2.489 1.184 -7.945 545 HG23 ILE 71 3HG2 ILE 71 -2.193 0.859 -9.653 546 HD11 ILE 71 1HD1 ILE 71 -0.227 2.771 -6.554 547 HD12 ILE 71 2HD1 ILE 71 1.047 1.646 -7.028 548 HD13 ILE 71 3HD1 ILE 71 -0.637 1.115 -7.001 549 H ILE 72 H ILE 72 0.636 3.550 -11.531 550 HA ILE 72 HA ILE 72 1.960 5.649 -10.291 551 HB ILE 72 HB ILE 72 2.763 3.858 -11.899 552 HG12 ILE 72 2HG1 ILE 72 3.966 6.033 -10.899 553 HG13 ILE 72 1HG1 ILE 72 4.795 4.871 -11.926 554 HG21 ILE 72 1HG2 ILE 72 1.444 4.304 -13.822 555 HG22 ILE 72 2HG2 ILE 72 3.131 4.618 -14.233 556 HG23 ILE 72 3HG2 ILE 72 2.038 5.963 -13.904 557 HD11 ILE 72 1HD1 ILE 72 5.293 7.134 -12.616 558 HD12 ILE 72 2HD1 ILE 72 3.572 7.476 -12.806 559 HD13 ILE 72 3HD1 ILE 72 4.359 6.308 -13.866 560 H ASN 73 H ASN 73 -0.500 5.794 -12.740 561 HA ASN 73 HA ASN 73 0.071 8.644 -13.088 562 HB2 ASN 73 2HB ASN 73 -0.207 6.854 -15.050 563 HB3 ASN 73 1HB ASN 73 -1.906 7.259 -14.835 564 HD21 ASN 73 1HD2 ASN 73 1.230 8.439 -15.734 565 HD22 ASN 73 2HD2 ASN 73 0.691 9.893 -16.496 566 H GLY 74 H GLY 74 -1.479 6.992 -10.974 567 HA2 GLY 74 2HA GLY 74 -3.880 8.751 -11.079 568 HA3 GLY 74 1HA GLY 74 -3.999 7.069 -10.594 569 H LYS 75 H LYS 75 -1.381 9.193 -9.674 570 HA LYS 75 HA LYS 75 -0.514 9.803 -7.675 571 HB2 LYS 75 2HB LYS 75 -2.436 11.357 -7.740 572 HB3 LYS 75 1HB LYS 75 -3.402 10.176 -6.864 573 HG2 LYS 75 2HG LYS 75 -2.302 10.536 -4.891 574 HG3 LYS 75 1HG LYS 75 -0.812 11.040 -5.690 575 HD2 LYS 75 2HD LYS 75 -1.926 13.144 -6.356 576 HD3 LYS 75 1HD LYS 75 -3.361 12.635 -5.459 577 HE2 LYS 75 2HE LYS 75 -1.385 12.323 -3.598 578 HE3 LYS 75 1HE LYS 75 -0.819 13.732 -4.494 579 HZ1 LYS 75 1HZ LYS 75 -3.373 13.407 -3.029 580 HZ2 LYS 75 2HZ LYS 75 -3.136 14.650 -4.152 581 HZ3 LYS 75 3HZ LYS 75 -2.151 14.561 -2.775 582 H CYS 76 H CYS 76 0.504 8.357 -6.529 583 HA CYS 76 HA CYS 76 -1.084 6.172 -5.350 584 HB2 CYS 76 2HB CYS 76 1.907 6.123 -5.625 585 HB3 CYS 76 1HB CYS 76 0.790 4.770 -5.481 586 HG CYS 76 HG CYS 76 -0.300 5.786 -8.141 587 H PHE 77 H PHE 77 -0.103 5.263 -3.342 588 HA PHE 77 HA PHE 77 1.214 7.222 -1.634 589 HB2 PHE 77 2HB PHE 77 -1.455 5.950 -0.977 590 HB3 PHE 77 1HB PHE 77 -0.451 6.812 0.183 591 HD1 PHE 77 1HD PHE 77 -3.051 7.098 -2.183 592 HD2 PHE 77 2HD PHE 77 0.166 9.236 -0.425 593 HE1 PHE 77 1HE PHE 77 -4.095 9.216 -2.870 594 HE2 PHE 77 2HE PHE 77 -0.864 11.358 -1.103 595 HZ PHE 77 HZ PHE 77 -2.988 11.351 -2.344 596 H PHE 78 H PHE 78 2.899 6.163 -0.863 597 HA PHE 78 HA PHE 78 2.800 3.270 -0.607 598 HB2 PHE 78 2HB PHE 78 4.870 4.401 -1.437 599 HB3 PHE 78 1HB PHE 78 5.050 5.160 0.144 600 HD1 PHE 78 1HD PHE 78 4.947 1.894 -1.591 601 HD2 PHE 78 2HD PHE 78 6.086 4.019 1.911 602 HE1 PHE 78 1HE PHE 78 6.170 -0.085 -0.791 603 HE2 PHE 78 2HE PHE 78 7.308 2.047 2.721 604 HZ PHE 78 HZ PHE 78 7.352 -0.012 1.367 605 H ILE 79 H ILE 79 1.534 2.714 1.006 606 HA ILE 79 HA ILE 79 1.846 4.065 3.598 607 HB ILE 79 HB ILE 79 -0.302 3.476 4.179 608 HG12 ILE 79 2HG1 ILE 79 0.314 1.095 2.719 609 HG13 ILE 79 1HG1 ILE 79 -0.941 1.357 3.921 610 HG21 ILE 79 1HG2 ILE 79 -0.449 3.852 1.194 611 HG22 ILE 79 2HG2 ILE 79 -0.378 5.128 2.410 612 HG23 ILE 79 3HG2 ILE 79 -1.785 4.070 2.324 613 HD11 ILE 79 1HD1 ILE 79 -2.454 2.119 2.179 614 HD12 ILE 79 2HD1 ILE 79 -1.855 0.492 1.851 615 HD13 ILE 79 3HD1 ILE 79 -1.193 1.872 0.971 616 H HIS 80 H HIS 80 1.752 2.897 5.411 617 HA HIS 80 HA HIS 80 2.756 0.159 5.195 618 HB2 HIS 80 2HB HIS 80 4.450 1.295 6.316 619 HB3 HIS 80 1HB HIS 80 3.336 2.459 7.020 620 HD1 HIS 80 1HD HIS 80 4.786 -0.948 7.597 621 HD2 HIS 80 2HD HIS 80 2.210 1.755 9.386 622 HE1 HIS 80 1HE HIS 80 4.471 -1.786 9.957 623 HE2 HIS 80 2HE HIS 80 2.696 -0.278 10.928 624 H TYR 81 H TYR 81 1.148 -1.229 5.611 625 HA TYR 81 HA TYR 81 -1.385 -0.468 6.462 626 HB2 TYR 81 2HB TYR 81 0.006 -3.098 6.178 627 HB3 TYR 81 1HB TYR 81 -1.578 -3.039 6.953 628 HD1 TYR 81 1HD TYR 81 0.237 -2.207 3.826 629 HD2 TYR 81 2HD TYR 81 -3.548 -2.792 5.675 630 HE1 TYR 81 1HE TYR 81 -0.849 -2.099 1.619 631 HE2 TYR 81 2HE TYR 81 -4.645 -2.691 3.479 632 HH TYR 81 HH TYR 81 -4.308 -1.920 1.292 633 H GLN 82 H GLN 82 -1.970 0.309 8.273 634 HA GLN 82 HA GLN 82 -0.491 0.201 10.682 635 HB2 GLN 82 2HB GLN 82 -2.496 1.773 9.669 636 HB3 GLN 82 1HB GLN 82 -3.349 0.852 10.900 637 HG2 GLN 82 2HG GLN 82 -0.769 2.205 11.553 638 HG3 GLN 82 1HG GLN 82 -2.269 3.128 11.500 639 HE21 GLN 82 1HE2 GLN 82 -3.880 0.913 12.450 640 HE22 GLN 82 2HE2 GLN 82 -3.551 0.770 14.138 641 H GLY 83 H GLY 83 -0.364 -1.409 12.063 642 HA2 GLY 83 2HA GLY 83 -1.569 -2.830 13.650 643 HA3 GLY 83 1HA GLY 83 -2.687 -3.215 12.345 644 H TRP 84 H TRP 84 -0.104 -3.134 10.638 645 HA TRP 84 HA TRP 84 0.787 -5.873 11.258 646 HB2 TRP 84 2HB TRP 84 0.706 -4.658 8.493 647 HB3 TRP 84 1HB TRP 84 0.954 -6.346 8.922 648 HD1 TRP 84 HD TRP 84 -1.733 -3.841 8.156 649 HE1 TRP 84 1HE TRP 84 -4.027 -5.000 8.176 650 HE3 TRP 84 3HE TRP 84 -0.343 -8.333 10.163 651 HZ2 TRP 84 2HZ TRP 84 -5.110 -7.490 8.950 652 HZ3 TRP 84 3HZ TRP 84 -2.075 -10.051 10.503 653 HH2 TRP 84 HH TRP 84 -4.403 -9.636 9.909 654 H LYS 85 H LYS 85 2.834 -6.023 9.436 655 HA LYS 85 HA LYS 85 4.727 -4.052 10.509 656 HB2 LYS 85 2HB LYS 85 6.412 -5.819 9.572 657 HB3 LYS 85 1HB LYS 85 5.593 -6.108 11.100 658 HG2 LYS 85 2HG LYS 85 3.864 -7.226 9.301 659 HG3 LYS 85 1HG LYS 85 5.440 -7.569 8.578 660 HD2 LYS 85 2HD LYS 85 4.799 -8.125 11.468 661 HD3 LYS 85 1HD LYS 85 4.546 -9.309 10.183 662 HE2 LYS 85 2HE LYS 85 6.806 -9.576 9.810 663 HE3 LYS 85 1HE LYS 85 7.204 -7.982 10.453 664 HZ1 LYS 85 1HZ LYS 85 7.090 -8.724 12.614 665 HZ2 LYS 85 2HZ LYS 85 7.752 -10.077 11.834 666 HZ3 LYS 85 3HZ LYS 85 6.102 -10.052 12.240 667 H SER 86 H SER 86 6.720 -3.932 8.793 668 HA SER 86 HA SER 86 5.605 -2.495 6.603 669 HB2 SER 86 2HB SER 86 8.332 -3.063 7.612 670 HB3 SER 86 1HB SER 86 8.195 -2.639 5.903 671 HG SER 86 HG SER 86 7.066 -0.754 6.520 672 H SER 87 H SER 87 5.923 -5.746 6.996 673 HA SER 87 HA SER 87 6.783 -6.525 4.395 674 HB2 SER 87 2HB SER 87 5.009 -8.225 6.119 675 HB3 SER 87 1HB SER 87 6.362 -8.709 5.093 676 HG SER 87 HG SER 87 7.736 -8.264 6.647 677 H TRP 88 H TRP 88 4.010 -5.067 5.537 678 HA TRP 88 HA TRP 88 2.313 -6.145 3.390 679 HB2 TRP 88 2HB TRP 88 1.681 -4.774 5.999 680 HB3 TRP 88 1HB TRP 88 0.488 -4.900 4.713 681 HD1 TRP 88 HD TRP 88 2.814 -7.423 6.560 682 HE1 TRP 88 1HE TRP 88 1.431 -9.539 7.058 683 HE3 TRP 88 3HE TRP 88 -1.621 -6.002 4.465 684 HZ2 TRP 88 2HZ TRP 88 -1.191 -10.476 6.628 685 HZ3 TRP 88 3HZ TRP 88 -3.520 -7.563 4.563 686 HH2 TRP 88 HH TRP 88 -3.308 -9.751 5.621 687 H ASP 89 H ASP 89 4.249 -3.535 4.202 688 HA ASP 89 HA ASP 89 2.865 -1.289 3.336 689 HB2 ASP 89 2HB ASP 89 5.817 -1.905 3.112 690 HB3 ASP 89 1HB ASP 89 5.117 -0.316 2.840 691 H GLU 90 H GLU 90 2.099 -0.666 1.454 692 HA GLU 90 HA GLU 90 3.268 -1.695 -1.031 693 HB2 GLU 90 2HB GLU 90 0.463 -2.073 -0.069 694 HB3 GLU 90 1HB GLU 90 0.723 -1.791 -1.782 695 HG2 GLU 90 2HG GLU 90 2.409 -3.714 -1.638 696 HG3 GLU 90 1HG GLU 90 1.636 -4.079 -0.094 697 H TRP 91 H TRP 91 2.088 -0.677 -2.934 698 HA TRP 91 HA TRP 91 1.899 2.206 -2.459 699 HB2 TRP 91 2HB TRP 91 2.627 0.510 -4.822 700 HB3 TRP 91 1HB TRP 91 1.968 2.115 -5.096 701 HD1 TRP 91 HD TRP 91 5.141 0.348 -4.395 702 HE1 TRP 91 1HE TRP 91 7.044 2.032 -4.052 703 HE3 TRP 91 3HE TRP 91 2.360 4.605 -3.950 704 HZ2 TRP 91 2HZ TRP 91 7.321 4.840 -3.694 705 HZ3 TRP 91 3HZ TRP 91 3.535 6.744 -3.618 706 HH2 TRP 91 HH TRP 91 5.955 6.856 -3.480 707 H VAL 92 H VAL 92 -0.183 2.787 -2.119 708 HA VAL 92 HA VAL 92 -2.255 1.448 -3.722 709 HB VAL 92 HB VAL 92 -3.896 2.560 -2.167 710 HG11 VAL 92 1HG1 VAL 92 -3.525 0.991 -0.322 711 HG12 VAL 92 2HG1 VAL 92 -1.895 0.682 -0.920 712 HG13 VAL 92 3HG1 VAL 92 -3.297 0.229 -1.895 713 HG21 VAL 92 1HG2 VAL 92 -2.500 4.364 -1.357 714 HG22 VAL 92 2HG2 VAL 92 -1.401 3.210 -0.604 715 HG23 VAL 92 3HG2 VAL 92 -3.053 3.375 -0.006 716 H GLY 93 H GLY 93 -4.195 3.302 -3.776 717 HA2 GLY 93 2HA GLY 93 -3.181 5.861 -4.606 718 HA3 GLY 93 1HA GLY 93 -3.701 4.849 -5.952 719 H TYR 94 H TYR 94 -5.154 6.982 -5.860 720 HA TYR 94 HA TYR 94 -7.228 7.158 -3.992 721 HB2 TYR 94 2HB TYR 94 -6.902 8.096 -6.815 722 HB3 TYR 94 1HB TYR 94 -8.421 8.344 -5.958 723 HD1 TYR 94 1HD TYR 94 -5.757 10.089 -6.935 724 HD2 TYR 94 2HD TYR 94 -7.692 9.039 -3.300 725 HE1 TYR 94 1HE TYR 94 -4.812 12.076 -5.863 726 HE2 TYR 94 2HE TYR 94 -6.753 11.024 -2.216 727 HH TYR 94 HH TYR 94 -5.521 13.590 -3.851 728 H ASP 95 H ASP 95 -6.679 4.761 -6.177 729 HA ASP 95 HA ASP 95 -9.471 4.099 -6.690 730 HB2 ASP 95 2HB ASP 95 -7.805 3.848 -8.508 731 HB3 ASP 95 1HB ASP 95 -6.955 2.646 -7.543 732 H ARG 96 H ARG 96 -6.857 3.201 -4.602 733 HA ARG 96 HA ARG 96 -8.514 1.042 -3.464 734 HB2 ARG 96 2HB ARG 96 -5.603 1.101 -4.110 735 HB3 ARG 96 1HB ARG 96 -6.075 0.300 -2.623 736 HG2 ARG 96 2HG ARG 96 -7.501 -1.215 -3.858 737 HG3 ARG 96 1HG ARG 96 -7.116 -0.376 -5.361 738 HD2 ARG 96 2HD ARG 96 -5.797 -2.431 -5.110 739 HD3 ARG 96 1HD ARG 96 -4.780 -0.994 -5.145 740 HE ARG 96 HE ARG 96 -5.478 -1.909 -2.490 741 HH11 ARG 96 1HH1 ARG 96 -3.196 -2.204 -5.143 742 HH12 ARG 96 2HH1 ARG 96 -1.887 -2.720 -4.121 743 HH21 ARG 96 1HH2 ARG 96 -3.715 -2.595 -1.147 744 HH22 ARG 96 2HH2 ARG 96 -2.181 -2.962 -1.879 745 H ILE 97 H ILE 97 -7.633 4.073 -2.960 746 HA ILE 97 HA ILE 97 -7.200 3.672 -0.085 747 HB ILE 97 HB ILE 97 -5.419 4.890 -1.651 748 HG12 ILE 97 2HG1 ILE 97 -6.190 5.921 1.064 749 HG13 ILE 97 1HG1 ILE 97 -5.271 4.451 0.768 750 HG21 ILE 97 1HG2 ILE 97 -5.647 7.321 -1.445 751 HG22 ILE 97 2HG2 ILE 97 -7.278 7.094 -0.813 752 HG23 ILE 97 3HG2 ILE 97 -6.894 6.606 -2.464 753 HD11 ILE 97 1HD1 ILE 97 -3.469 5.755 -0.208 754 HD12 ILE 97 2HD1 ILE 97 -3.832 6.312 1.424 755 HD13 ILE 97 3HD1 ILE 97 -4.396 7.236 0.033 756 H ARG 98 H ARG 98 -8.357 4.810 1.341 757 HA ARG 98 HA ARG 98 -10.484 6.595 0.364 758 HB2 ARG 98 2HB ARG 98 -10.883 4.534 2.551 759 HB3 ARG 98 1HB ARG 98 -12.101 5.586 1.847 760 HG2 ARG 98 2HG ARG 98 -10.694 3.318 0.442 761 HG3 ARG 98 1HG ARG 98 -12.350 3.305 1.051 762 HD2 ARG 98 2HD ARG 98 -12.940 5.098 -0.492 763 HD3 ARG 98 1HD ARG 98 -11.281 5.148 -1.080 764 HE ARG 98 HE ARG 98 -12.989 2.759 -1.398 765 HH11 ARG 98 1HH1 ARG 98 -10.747 5.123 -2.682 766 HH12 ARG 98 2HH1 ARG 98 -10.723 4.425 -4.270 767 HH21 ARG 98 1HH2 ARG 98 -12.950 1.825 -3.476 768 HH22 ARG 98 2HH2 ARG 98 -11.966 2.542 -4.723 769 H ALA 99 H ALA 99 -11.520 7.496 2.666 770 HA ALA 99 HA ALA 99 -9.209 8.680 3.996 771 HB1 ALA 99 1HB ALA 99 -12.100 9.592 3.896 772 HB2 ALA 99 2HB ALA 99 -10.747 10.328 3.037 773 HB3 ALA 99 3HB ALA 99 -10.812 10.387 4.797 774 H TYR 100 H TYR 100 -8.893 8.218 6.057 775 HA TYR 100 HA TYR 100 -10.518 6.210 7.279 776 HB2 TYR 100 2HB TYR 100 -8.123 6.263 7.559 777 HB3 TYR 100 1HB TYR 100 -8.212 7.884 8.211 778 HD1 TYR 100 1HD TYR 100 -8.494 8.184 10.591 779 HD2 TYR 100 2HD TYR 100 -9.135 4.371 8.820 780 HE1 TYR 100 1HE TYR 100 -8.604 7.159 12.829 781 HE2 TYR 100 2HE TYR 100 -9.264 3.344 11.043 782 HH TYR 100 HH TYR 100 -8.292 3.940 13.388 783 H ASN 101 H ASN 101 -12.530 7.017 7.584 784 HA ASN 101 HA ASN 101 -12.878 8.867 9.770 785 HB2 ASN 101 2HB ASN 101 -14.080 10.531 8.682 786 HB3 ASN 101 1HB ASN 101 -12.813 10.176 7.521 787 HD21 ASN 101 1HD2 ASN 101 -13.327 9.110 5.624 788 HD22 ASN 101 2HD2 ASN 101 -14.953 8.970 5.056 789 H GLU 102 H GLU 102 -15.095 8.977 10.429 790 HA GLU 102 HA GLU 102 -16.134 6.576 11.133 791 HB2 GLU 102 2HB GLU 102 -17.871 8.997 10.716 792 HB3 GLU 102 1HB GLU 102 -18.071 7.718 11.904 793 HG2 GLU 102 2HG GLU 102 -15.547 9.242 12.026 794 HG3 GLU 102 1HG GLU 102 -17.020 10.105 12.463 795 H GLU 103 H GLU 103 -17.022 8.320 8.166 796 HA GLU 103 HA GLU 103 -19.359 6.849 7.651 797 HB2 GLU 103 2HB GLU 103 -18.666 9.029 6.582 798 HB3 GLU 103 1HB GLU 103 -17.651 8.068 5.508 799 HG2 GLU 103 2HG GLU 103 -19.383 7.365 4.292 800 HG3 GLU 103 1HG GLU 103 -20.392 7.091 5.710 801 H ASN 104 H ASN 104 -16.160 6.366 6.004 802 HA ASN 104 HA ASN 104 -17.255 3.908 4.908 803 HB2 ASN 104 2HB ASN 104 -14.969 3.653 3.847 804 HB3 ASN 104 1HB ASN 104 -15.904 5.057 3.348 805 HD21 ASN 104 1HD2 ASN 104 -13.068 3.919 4.872 806 HD22 ASN 104 2HD2 ASN 104 -12.339 5.466 5.150 807 H ILE 105 H ILE 105 -15.505 4.842 7.653 808 HA ILE 105 HA ILE 105 -14.103 2.419 8.168 809 HB ILE 105 HB ILE 105 -15.065 4.662 9.854 810 HG12 ILE 105 2HG1 ILE 105 -12.324 3.577 9.223 811 HG13 ILE 105 1HG1 ILE 105 -13.059 5.017 8.520 812 HG21 ILE 105 1HG2 ILE 105 -13.749 2.164 10.882 813 HG22 ILE 105 2HG2 ILE 105 -15.363 2.755 11.280 814 HG23 ILE 105 3HG2 ILE 105 -13.939 3.651 11.807 815 HD11 ILE 105 1HD1 ILE 105 -13.108 6.050 10.726 816 HD12 ILE 105 2HD1 ILE 105 -11.475 5.614 10.224 817 HD13 ILE 105 3HD1 ILE 105 -12.331 4.618 11.398 818 H ALA 106 H ALA 106 -17.281 3.706 8.813 819 HA ALA 106 HA ALA 106 -18.337 1.814 10.521 820 HB1 ALA 106 1HB ALA 106 -19.725 3.260 8.270 821 HB2 ALA 106 2HB ALA 106 -19.483 3.876 9.907 822 HB3 ALA 106 3HB ALA 106 -20.519 2.474 9.633 823 H MET 107 H MET 107 -17.743 1.713 7.080 824 HA MET 107 HA MET 107 -19.165 -0.744 6.674 825 HB2 MET 107 2HB MET 107 -18.280 1.056 4.879 826 HB3 MET 107 1HB MET 107 -16.915 -0.049 4.854 827 HG2 MET 107 2HG MET 107 -18.456 -1.893 4.340 828 HG3 MET 107 1HG MET 107 -19.778 -0.727 4.260 829 HE1 MET 107 1HE MET 107 -18.841 -1.905 0.518 830 HE2 MET 107 2HE MET 107 -20.123 -1.919 1.726 831 HE3 MET 107 3HE MET 107 -18.651 -2.849 1.995 832 H LYS 108 H LYS 108 -15.739 0.185 6.980 833 HA LYS 108 HA LYS 108 -14.523 -2.278 6.775 834 HB2 LYS 108 2HB LYS 108 -13.261 -0.209 6.880 835 HB3 LYS 108 1HB LYS 108 -13.800 0.085 8.526 836 HG2 LYS 108 2HG LYS 108 -12.482 -2.470 8.304 837 HG3 LYS 108 1HG LYS 108 -11.453 -1.163 7.717 838 HD2 LYS 108 2HD LYS 108 -12.666 -0.226 10.078 839 HD3 LYS 108 1HD LYS 108 -12.136 -1.879 10.411 840 HE2 LYS 108 2HE LYS 108 -9.906 -1.173 9.369 841 HE3 LYS 108 1HE LYS 108 -10.491 0.484 9.535 842 HZ1 LYS 108 1HZ LYS 108 -10.799 0.004 11.944 843 HZ2 LYS 108 2HZ LYS 108 -9.186 -0.043 11.440 844 HZ3 LYS 108 3HZ LYS 108 -10.038 -1.491 11.712 845 H LYS 109 H LYS 109 -16.036 -0.798 9.554 846 HA LYS 109 HA LYS 109 -15.304 -2.705 11.501 847 HB2 LYS 109 2HB LYS 109 -17.839 -1.059 11.398 848 HB3 LYS 109 1HB LYS 109 -17.153 -1.820 12.829 849 HG2 LYS 109 2HG LYS 109 -15.795 0.335 11.225 850 HG3 LYS 109 1HG LYS 109 -16.735 0.613 12.692 851 HD2 LYS 109 2HD LYS 109 -14.622 -1.438 12.869 852 HD3 LYS 109 1HD LYS 109 -14.076 0.230 12.673 853 HE2 LYS 109 2HE LYS 109 -15.489 0.883 14.587 854 HE3 LYS 109 1HE LYS 109 -15.928 -0.807 14.811 855 HZ1 LYS 109 1HZ LYS 109 -13.551 -1.297 15.148 856 HZ2 LYS 109 2HZ LYS 109 -14.171 -0.224 16.311 857 HZ3 LYS 109 3HZ LYS 109 -13.210 0.362 15.041 858 H ARG 110 H ARG 110 -18.332 -2.372 9.684 859 HA ARG 110 HA ARG 110 -19.378 -4.857 10.556 860 HB2 ARG 110 2HB ARG 110 -20.722 -2.964 9.569 861 HB3 ARG 110 1HB ARG 110 -20.058 -3.386 8.002 862 HG2 ARG 110 2HG ARG 110 -21.083 -5.586 8.145 863 HG3 ARG 110 1HG ARG 110 -21.732 -5.187 9.736 864 HD2 ARG 110 2HD ARG 110 -23.070 -3.416 8.775 865 HD3 ARG 110 1HD ARG 110 -22.370 -3.720 7.183 866 HE ARG 110 HE ARG 110 -23.457 -5.925 7.244 867 HH11 ARG 110 1HH1 ARG 110 -24.623 -3.465 9.462 868 HH12 ARG 110 2HH1 ARG 110 -26.174 -4.222 9.670 869 HH21 ARG 110 1HH2 ARG 110 -25.506 -6.891 7.488 870 HH22 ARG 110 2HH2 ARG 110 -26.695 -6.145 8.521 871 H LEU 111 H LEU 111 -17.362 -3.821 7.975 872 HA LEU 111 HA LEU 111 -17.475 -6.050 6.300 873 HB2 LEU 111 2HB LEU 111 -15.725 -3.721 6.706 874 HB3 LEU 111 1HB LEU 111 -15.039 -5.050 5.817 875 HG LEU 111 HG LEU 111 -17.661 -3.872 5.144 876 HD11 LEU 111 1HD1 LEU 111 -14.974 -3.127 4.002 877 HD12 LEU 111 2HD1 LEU 111 -15.988 -2.088 5.007 878 HD13 LEU 111 3HD1 LEU 111 -16.530 -2.560 3.395 879 HD21 LEU 111 1HD2 LEU 111 -17.329 -6.017 4.196 880 HD22 LEU 111 2HD2 LEU 111 -15.769 -5.512 3.543 881 HD23 LEU 111 3HD2 LEU 111 -17.258 -4.785 2.934 882 H ALA 112 H ALA 112 -15.271 -5.298 9.000 883 HA ALA 112 HA ALA 112 -13.720 -7.620 8.427 884 HB1 ALA 112 1HB ALA 112 -12.748 -5.695 9.572 885 HB2 ALA 112 2HB ALA 112 -12.572 -7.168 10.522 886 HB3 ALA 112 3HB ALA 112 -13.803 -5.980 10.954 887 H ASN 113 H ASN 113 -16.698 -7.121 9.940 888 HA ASN 113 HA ASN 113 -16.476 -9.678 11.311 889 HB2 ASN 113 2HB ASN 113 -18.003 -8.957 12.802 890 HB3 ASN 113 1HB ASN 113 -17.647 -7.368 12.148 891 HD21 ASN 113 1HD2 ASN 113 -19.300 -6.213 11.533 892 HD22 ASN 113 2HD2 ASN 113 -20.867 -6.809 11.103 893 H GLU 114 H GLU 114 -18.122 -8.095 8.641 894 HA GLU 114 HA GLU 114 -19.815 -10.367 8.130 895 HB2 GLU 114 2HB GLU 114 -19.325 -7.802 6.623 896 HB3 GLU 114 1HB GLU 114 -20.360 -9.081 5.998 897 HG2 GLU 114 2HG GLU 114 -21.029 -8.428 8.729 898 HG3 GLU 114 1HG GLU 114 -21.085 -7.004 7.692 899 H ALA 115 H ALA 115 -16.770 -9.024 6.792 900 HA ALA 115 HA ALA 115 -16.655 -11.008 4.709 901 HB1 ALA 115 1HB ALA 115 -15.319 -8.976 4.536 902 HB2 ALA 115 2HB ALA 115 -14.276 -10.399 4.514 903 HB3 ALA 115 3HB ALA 115 -14.410 -9.431 5.980 904 H LYS 116 H LYS 116 -16.312 -11.038 8.010 905 HA LYS 116 HA LYS 116 -14.635 -13.397 8.182 906 HB2 LYS 116 2HB LYS 116 -14.069 -12.359 10.082 907 HB3 LYS 116 1HB LYS 116 -15.357 -11.186 9.869 908 HG2 LYS 116 2HG LYS 116 -16.856 -12.400 11.181 909 HG3 LYS 116 1HG LYS 116 -15.919 -13.891 11.047 910 HD2 LYS 116 2HD LYS 116 -14.956 -11.408 12.465 911 HD3 LYS 116 1HD LYS 116 -15.759 -12.754 13.271 912 HE2 LYS 116 2HE LYS 116 -13.415 -13.362 11.556 913 HE3 LYS 116 1HE LYS 116 -13.116 -12.573 13.101 914 HZ1 LYS 116 1HZ LYS 116 -14.046 -14.359 14.271 915 HZ2 LYS 116 2HZ LYS 116 -13.078 -15.084 13.081 916 HZ3 LYS 116 3HZ LYS 116 -14.761 -15.025 12.885 917 H GLU 117 H GLU 117 -17.962 -12.411 8.295 918 HA GLU 117 HA GLU 117 -19.038 -14.783 9.457 919 HB2 GLU 117 2HB GLU 117 -20.277 -12.598 7.771 920 HB3 GLU 117 1HB GLU 117 -21.198 -13.930 8.450 921 HG2 GLU 117 2HG GLU 117 -19.547 -12.352 10.322 922 HG3 GLU 117 1HG GLU 117 -20.969 -11.565 9.638 923 H ALA 118 H ALA 118 -18.508 -13.595 6.209 924 HA ALA 118 HA ALA 118 -18.268 -14.606 4.204 925 HB1 ALA 118 1HB ALA 118 -18.525 -17.228 5.665 926 HB2 ALA 118 2HB ALA 118 -17.018 -16.358 5.391 927 HB3 ALA 118 3HB ALA 118 -17.930 -16.992 4.024 928 H LYS 119 H LYS 119 -19.933 -14.103 2.972 929 HA LYS 119 HA LYS 119 -22.481 -15.509 3.392 930 HB2 LYS 119 2HB LYS 119 -22.569 -13.035 3.647 931 HB3 LYS 119 1HB LYS 119 -21.992 -12.869 1.993 932 HG2 LYS 119 2HG LYS 119 -24.077 -14.343 1.432 933 HG3 LYS 119 1HG LYS 119 -24.654 -13.763 2.997 934 HD2 LYS 119 2HD LYS 119 -25.496 -12.184 1.512 935 HD3 LYS 119 1HD LYS 119 -24.019 -11.422 2.098 936 HE2 LYS 119 2HE LYS 119 -24.047 -11.117 -0.252 937 HE3 LYS 119 1HE LYS 119 -22.857 -12.375 0.084 938 HZ1 LYS 119 1HZ LYS 119 -24.432 -12.794 -1.816 939 HZ2 LYS 119 2HZ LYS 119 -25.654 -13.006 -0.663 940 HZ3 LYS 119 3HZ LYS 119 -24.308 -14.042 -0.674 941 H LYS 120 H LYS 120 -23.093 -16.904 1.875 942 HA LYS 120 HA LYS 120 -21.504 -17.215 -0.516 943 HB2 LYS 120 2HB LYS 120 -23.948 -18.692 0.475 944 HB3 LYS 120 1HB LYS 120 -23.026 -19.140 -0.957 945 HG2 LYS 120 2HG LYS 120 -21.072 -19.573 0.406 946 HG3 LYS 120 1HG LYS 120 -21.932 -19.032 1.846 947 HD2 LYS 120 2HD LYS 120 -21.992 -21.408 1.870 948 HD3 LYS 120 1HD LYS 120 -23.604 -20.861 1.407 949 HE2 LYS 120 2HE LYS 120 -23.068 -21.281 -0.949 950 HE3 LYS 120 1HE LYS 120 -21.454 -21.824 -0.482 951 HZ1 LYS 120 1HZ LYS 120 -24.036 -23.108 0.257 952 HZ2 LYS 120 2HZ LYS 120 -22.518 -23.602 0.833 953 HZ3 LYS 120 3HZ LYS 120 -22.875 -23.717 -0.822 Start of MODEL 10 1 H MET 1 1HT MET 1 -16.967 14.478 -3.241 2 HA MET 1 HA MET 1 -18.309 16.124 -2.149 3 HB2 MET 1 2HB MET 1 -18.907 13.892 -0.437 4 HB3 MET 1 1HB MET 1 -18.233 15.197 0.533 5 HG2 MET 1 2HG MET 1 -20.540 15.551 0.561 6 HG3 MET 1 1HG MET 1 -19.922 16.709 -0.615 7 HE1 MET 1 1HE MET 1 -22.256 13.780 0.106 8 HE2 MET 1 2HE MET 1 -20.950 12.858 -0.641 9 HE3 MET 1 3HE MET 1 -22.503 13.009 -1.462 10 H VAL 2 H VAL 2 -17.436 17.193 0.168 11 HA VAL 2 HA VAL 2 -14.601 17.428 -0.340 12 HB VAL 2 HB VAL 2 -14.710 19.125 1.553 13 HG11 VAL 2 1HG1 VAL 2 -16.299 19.584 -0.966 14 HG12 VAL 2 2HG1 VAL 2 -14.550 19.727 -0.792 15 HG13 VAL 2 3HG1 VAL 2 -15.615 20.845 0.059 16 HG21 VAL 2 1HG2 VAL 2 -16.828 18.401 2.540 17 HG22 VAL 2 2HG2 VAL 2 -17.672 18.823 1.049 18 HG23 VAL 2 3HG2 VAL 2 -16.910 20.083 2.019 19 H ASP 3 H ASP 3 -13.481 15.811 0.402 20 HA ASP 3 HA ASP 3 -13.181 15.468 3.243 21 HB2 ASP 3 2HB ASP 3 -13.294 12.820 2.661 22 HB3 ASP 3 1HB ASP 3 -14.639 13.726 3.341 23 H LEU 4 H LEU 4 -11.700 16.318 0.836 24 HA LEU 4 HA LEU 4 -9.499 14.356 0.770 25 HB2 LEU 4 2HB LEU 4 -8.827 15.271 -1.287 26 HB3 LEU 4 1HB LEU 4 -10.580 15.221 -1.385 27 HG LEU 4 HG LEU 4 -9.344 17.731 -0.388 28 HD11 LEU 4 1HD1 LEU 4 -8.988 18.540 -2.683 29 HD12 LEU 4 2HD1 LEU 4 -9.300 16.915 -3.297 30 HD13 LEU 4 3HD1 LEU 4 -7.900 17.216 -2.265 31 HD21 LEU 4 1HD2 LEU 4 -11.199 18.739 -1.586 32 HD22 LEU 4 2HD2 LEU 4 -11.785 17.443 -0.544 33 HD23 LEU 4 3HD2 LEU 4 -11.635 17.177 -2.279 34 H GLU 5 H GLU 5 -10.460 16.859 2.442 35 HA GLU 5 HA GLU 5 -8.962 18.979 2.632 36 HB2 GLU 5 2HB GLU 5 -9.192 17.452 5.181 37 HB3 GLU 5 1HB GLU 5 -9.512 19.150 4.855 38 HG2 GLU 5 2HG GLU 5 -11.240 16.805 4.076 39 HG3 GLU 5 1HG GLU 5 -11.579 18.008 5.318 40 H GLN 6 H GLN 6 -7.702 15.946 4.119 41 HA GLN 6 HA GLN 6 -5.061 16.358 3.301 42 HB2 GLN 6 2HB GLN 6 -3.919 17.312 5.145 43 HB3 GLN 6 1HB GLN 6 -5.269 18.378 4.804 44 HG2 GLN 6 2HG GLN 6 -5.239 16.312 7.003 45 HG3 GLN 6 1HG GLN 6 -4.835 18.012 7.218 46 HE21 GLN 6 1HE2 GLN 6 -7.283 15.711 7.157 47 HE22 GLN 6 2HE2 GLN 6 -8.647 16.778 7.242 48 H GLU 7 H GLU 7 -7.066 14.295 3.965 49 HA GLU 7 HA GLU 7 -5.922 12.746 6.123 50 HB2 GLU 7 2HB GLU 7 -7.795 11.330 4.432 51 HB3 GLU 7 1HB GLU 7 -7.914 11.738 6.141 52 HG2 GLU 7 2HG GLU 7 -8.329 13.903 4.172 53 HG3 GLU 7 1HG GLU 7 -9.591 12.683 4.334 54 H PHE 8 H PHE 8 -5.437 13.032 2.754 55 HA PHE 8 HA PHE 8 -4.145 10.393 2.652 56 HB2 PHE 8 2HB PHE 8 -4.930 11.759 0.128 57 HB3 PHE 8 1HB PHE 8 -4.898 10.039 0.497 58 HD1 PHE 8 1HD PHE 8 -6.864 8.907 1.261 59 HD2 PHE 8 2HD PHE 8 -6.816 13.147 0.852 60 HE1 PHE 8 1HE PHE 8 -9.310 8.968 1.526 61 HE2 PHE 8 2HE PHE 8 -9.251 13.209 1.118 62 HZ PHE 8 HZ PHE 8 -10.494 11.132 1.468 63 H ALA 9 H ALA 9 -2.433 11.762 3.632 64 HA ALA 9 HA ALA 9 -0.770 12.727 1.549 65 HB1 ALA 9 1HB ALA 9 -2.152 14.685 1.960 66 HB2 ALA 9 2HB ALA 9 -0.495 14.974 2.491 67 HB3 ALA 9 3HB ALA 9 -1.753 14.625 3.677 68 H LEU 10 H LEU 10 0.777 14.257 3.308 69 HA LEU 10 HA LEU 10 2.649 12.348 4.089 70 HB2 LEU 10 2HB LEU 10 2.238 15.242 4.612 71 HB3 LEU 10 1HB LEU 10 3.548 14.387 5.409 72 HG LEU 10 HG LEU 10 3.962 13.644 2.812 73 HD11 LEU 10 1HD1 LEU 10 2.951 16.485 2.735 74 HD12 LEU 10 2HD1 LEU 10 2.173 15.085 1.992 75 HD13 LEU 10 3HD1 LEU 10 3.752 15.627 1.420 76 HD21 LEU 10 1HD2 LEU 10 5.019 16.105 4.206 77 HD22 LEU 10 2HD2 LEU 10 5.745 15.339 2.793 78 HD23 LEU 10 3HD2 LEU 10 5.669 14.468 4.325 79 H GLY 11 H GLY 11 2.296 10.857 5.600 80 HA2 GLY 11 2HA GLY 11 2.094 9.965 7.690 81 HA3 GLY 11 1HA GLY 11 2.281 11.589 8.334 82 H GLY 12 H GLY 12 -0.212 10.852 6.064 83 HA2 GLY 12 2HA GLY 12 -2.217 11.555 8.040 84 HA3 GLY 12 1HA GLY 12 -2.478 11.328 6.314 85 H ARG 13 H ARG 13 -4.021 10.269 8.532 86 HA ARG 13 HA ARG 13 -3.474 7.406 8.268 87 HB2 ARG 13 2HB ARG 13 -4.913 7.046 10.169 88 HB3 ARG 13 1HB ARG 13 -3.764 8.309 10.574 89 HG2 ARG 13 2HG ARG 13 -6.356 9.194 9.480 90 HG3 ARG 13 1HG ARG 13 -6.380 8.467 11.090 91 HD2 ARG 13 2HD ARG 13 -5.031 10.127 11.993 92 HD3 ARG 13 1HD ARG 13 -4.374 10.585 10.423 93 HE ARG 13 HE ARG 13 -6.776 11.405 9.996 94 HH11 ARG 13 1HH1 ARG 13 -5.201 11.456 13.128 95 HH12 ARG 13 2HH1 ARG 13 -6.042 12.877 13.665 96 HH21 ARG 13 1HH2 ARG 13 -7.890 13.271 10.714 97 HH22 ARG 13 2HH2 ARG 13 -7.553 13.901 12.302 98 H CYS 14 H CYS 14 -4.627 6.251 6.904 99 HA CYS 14 HA CYS 14 -7.349 7.044 6.272 100 HB2 CYS 14 2HB CYS 14 -5.063 7.164 4.408 101 HB3 CYS 14 1HB CYS 14 -6.519 6.390 3.784 102 HG CYS 14 HG CYS 14 -6.005 9.619 4.628 103 H LEU 15 H LEU 15 -8.276 5.357 4.696 104 HA LEU 15 HA LEU 15 -7.481 2.705 5.698 105 HB2 LEU 15 2HB LEU 15 -10.125 3.781 4.731 106 HB3 LEU 15 1HB LEU 15 -9.816 2.064 4.929 107 HG LEU 15 HG LEU 15 -9.642 4.112 7.140 108 HD11 LEU 15 1HD1 LEU 15 -11.701 3.107 7.962 109 HD12 LEU 15 2HD1 LEU 15 -11.765 2.062 6.543 110 HD13 LEU 15 3HD1 LEU 15 -11.928 3.808 6.360 111 HD21 LEU 15 1HD2 LEU 15 -9.529 2.162 8.609 112 HD22 LEU 15 2HD2 LEU 15 -8.160 2.223 7.499 113 HD23 LEU 15 3HD2 LEU 15 -9.488 1.102 7.199 114 H ALA 16 H ALA 16 -7.621 0.953 4.100 115 HA ALA 16 HA ALA 16 -7.642 1.821 1.330 116 HB1 ALA 16 1HB ALA 16 -5.451 0.904 0.796 117 HB2 ALA 16 2HB ALA 16 -5.180 0.512 2.495 118 HB3 ALA 16 3HB ALA 16 -5.310 2.197 1.988 119 H PHE 17 H PHE 17 -7.687 0.002 -0.147 120 HA PHE 17 HA PHE 17 -8.952 -2.279 1.195 121 HB2 PHE 17 2HB PHE 17 -9.494 -0.811 -1.284 122 HB3 PHE 17 1HB PHE 17 -9.602 -2.564 -1.434 123 HD1 PHE 17 1HD PHE 17 -11.081 -3.810 0.190 124 HD2 PHE 17 2HD PHE 17 -11.223 0.415 -0.300 125 HE1 PHE 17 1HE PHE 17 -13.327 -3.780 1.193 126 HE2 PHE 17 2HE PHE 17 -13.471 0.454 0.701 127 HZ PHE 17 HZ PHE 17 -14.522 -1.648 1.449 128 H HIS 18 H HIS 18 -7.464 -3.779 1.555 129 HA HIS 18 HA HIS 18 -5.779 -4.603 -0.709 130 HB2 HIS 18 2HB HIS 18 -4.859 -4.052 1.758 131 HB3 HIS 18 1HB HIS 18 -5.315 -5.734 2.010 132 HD2 HIS 18 2HD HIS 18 -2.387 -3.742 0.775 133 HE1 HIS 18 1HE HIS 18 -1.945 -7.613 -0.867 134 HE2 HIS 18 2HE HIS 18 -0.745 -5.456 -0.285 135 H GLY 19 H GLY 19 -6.609 -6.226 -1.786 136 HA2 GLY 19 2HA GLY 19 -7.672 -8.221 -2.236 137 HA3 GLY 19 1HA GLY 19 -7.645 -8.558 -0.504 138 HA PRO 20 HA PRO 20 -11.963 -7.382 -0.863 139 HB2 PRO 20 2HB PRO 20 -12.839 -9.045 1.060 140 HB3 PRO 20 1HB PRO 20 -12.368 -9.610 -0.543 141 HG2 PRO 20 2HG PRO 20 -11.033 -10.032 2.020 142 HG3 PRO 20 1HG PRO 20 -10.754 -10.847 0.472 143 HD2 PRO 20 2HD PRO 20 -9.288 -8.616 1.687 144 HD3 PRO 20 1HD PRO 20 -8.827 -9.648 0.315 145 H LEU 21 H LEU 21 -9.868 -6.681 1.774 146 HA LEU 21 HA LEU 21 -12.128 -5.339 3.104 147 HB2 LEU 21 2HB LEU 21 -9.958 -6.987 4.289 148 HB3 LEU 21 1HB LEU 21 -10.653 -5.677 5.229 149 HG LEU 21 HG LEU 21 -11.929 -8.210 4.284 150 HD11 LEU 21 1HD1 LEU 21 -11.978 -6.690 6.885 151 HD12 LEU 21 2HD1 LEU 21 -10.994 -8.113 6.532 152 HD13 LEU 21 3HD1 LEU 21 -12.754 -8.246 6.581 153 HD21 LEU 21 1HD2 LEU 21 -13.408 -6.466 3.463 154 HD22 LEU 21 2HD2 LEU 21 -13.392 -5.687 5.046 155 HD23 LEU 21 3HD2 LEU 21 -14.126 -7.278 4.855 156 H MET 22 H MET 22 -11.654 -3.691 4.543 157 HA MET 22 HA MET 22 -9.697 -1.797 3.539 158 HB2 MET 22 2HB MET 22 -12.357 -1.609 4.560 159 HB3 MET 22 1HB MET 22 -11.308 -0.763 5.692 160 HG2 MET 22 2HG MET 22 -10.388 0.540 3.800 161 HG3 MET 22 1HG MET 22 -11.549 -0.247 2.737 162 HE1 MET 22 1HE MET 22 -14.241 -0.388 4.255 163 HE2 MET 22 2HE MET 22 -14.067 0.272 2.629 164 HE3 MET 22 3HE MET 22 -14.954 1.175 3.856 165 H TYR 23 H TYR 23 -7.911 -1.262 4.682 166 HA TYR 23 HA TYR 23 -7.771 -2.151 7.489 167 HB2 TYR 23 2HB TYR 23 -5.647 -2.378 5.349 168 HB3 TYR 23 1HB TYR 23 -5.325 -2.592 7.064 169 HD1 TYR 23 1HD TYR 23 -6.705 -4.422 8.277 170 HD2 TYR 23 2HD TYR 23 -6.282 -4.211 4.045 171 HE1 TYR 23 1HE TYR 23 -7.325 -6.793 8.102 172 HE2 TYR 23 2HE TYR 23 -6.901 -6.586 3.863 173 HH TYR 23 HH TYR 23 -6.890 -8.615 5.280 174 H GLU 24 H GLU 24 -6.636 -0.830 8.905 175 HA GLU 24 HA GLU 24 -6.529 1.934 8.264 176 HB2 GLU 24 2HB GLU 24 -5.453 0.387 10.635 177 HB3 GLU 24 1HB GLU 24 -5.418 2.140 10.515 178 HG2 GLU 24 2HG GLU 24 -7.857 2.180 10.405 179 HG3 GLU 24 1HG GLU 24 -7.889 0.420 10.527 180 H ALA 25 H ALA 25 -4.708 3.227 7.863 181 HA ALA 25 HA ALA 25 -2.109 1.943 7.813 182 HB1 ALA 25 1HB ALA 25 -3.358 3.013 5.301 183 HB2 ALA 25 2HB ALA 25 -3.046 1.319 5.677 184 HB3 ALA 25 3HB ALA 25 -1.698 2.436 5.465 185 H LYS 26 H LYS 26 -0.371 3.308 7.480 186 HA LYS 26 HA LYS 26 -0.883 6.167 7.986 187 HB2 LYS 26 2HB LYS 26 0.226 4.846 9.830 188 HB3 LYS 26 1HB LYS 26 1.558 4.531 8.727 189 HG2 LYS 26 2HG LYS 26 1.869 7.013 8.549 190 HG3 LYS 26 1HG LYS 26 0.693 7.179 9.857 191 HD2 LYS 26 2HD LYS 26 2.087 6.174 11.410 192 HD3 LYS 26 1HD LYS 26 3.049 5.363 10.172 193 HE2 LYS 26 2HE LYS 26 4.529 7.010 10.314 194 HE3 LYS 26 1HE LYS 26 3.305 8.114 9.682 195 HZ1 LYS 26 1HZ LYS 26 4.230 8.887 11.776 196 HZ2 LYS 26 2HZ LYS 26 3.724 7.463 12.549 197 HZ3 LYS 26 3HZ LYS 26 2.574 8.548 11.934 198 H ILE 27 H ILE 27 -0.498 7.348 6.253 199 HA ILE 27 HA ILE 27 0.971 6.326 4.025 200 HB ILE 27 HB ILE 27 -0.009 9.161 4.390 201 HG12 ILE 27 2HG1 ILE 27 -1.483 6.846 3.116 202 HG13 ILE 27 1HG1 ILE 27 -1.784 7.397 4.757 203 HG21 ILE 27 1HG2 ILE 27 1.567 8.795 2.551 204 HG22 ILE 27 2HG2 ILE 27 -0.045 9.176 1.946 205 HG23 ILE 27 3HG2 ILE 27 0.535 7.510 1.923 206 HD11 ILE 27 1HD1 ILE 27 -2.181 9.027 2.259 207 HD12 ILE 27 2HD1 ILE 27 -2.528 9.548 3.908 208 HD13 ILE 27 3HD1 ILE 27 -3.447 8.226 3.188 209 H LEU 28 H LEU 28 3.027 6.306 3.767 210 HA LEU 28 HA LEU 28 4.694 8.128 5.333 211 HB2 LEU 28 2HB LEU 28 4.834 5.432 5.003 212 HB3 LEU 28 1HB LEU 28 5.978 5.985 3.793 213 HG LEU 28 HG LEU 28 6.773 7.467 5.876 214 HD11 LEU 28 1HD1 LEU 28 5.143 6.535 7.402 215 HD12 LEU 28 2HD1 LEU 28 6.779 6.087 7.895 216 HD13 LEU 28 3HD1 LEU 28 5.747 4.910 7.079 217 HD21 LEU 28 1HD2 LEU 28 8.566 5.836 6.189 218 HD22 LEU 28 2HD2 LEU 28 8.197 6.048 4.477 219 HD23 LEU 28 3HD2 LEU 28 7.617 4.621 5.336 220 H LYS 29 H LYS 29 3.918 7.250 2.021 221 HA LYS 29 HA LYS 29 5.577 9.513 1.145 222 HB2 LYS 29 2HB LYS 29 5.369 6.926 -0.409 223 HB3 LYS 29 1HB LYS 29 6.317 8.337 -0.838 224 HG2 LYS 29 2HG LYS 29 7.618 7.884 1.326 225 HG3 LYS 29 1HG LYS 29 6.848 6.294 1.284 226 HD2 LYS 29 2HD LYS 29 7.679 6.091 -1.093 227 HD3 LYS 29 1HD LYS 29 8.645 7.532 -0.790 228 HE2 LYS 29 2HE LYS 29 9.752 6.355 1.081 229 HE3 LYS 29 1HE LYS 29 8.832 4.906 0.684 230 HZ1 LYS 29 1HZ LYS 29 10.939 6.229 -0.923 231 HZ2 LYS 29 2HZ LYS 29 9.865 5.121 -1.618 232 HZ3 LYS 29 3HZ LYS 29 10.899 4.631 -0.360 233 H ILE 30 H ILE 30 4.682 10.756 -0.420 234 HA ILE 30 HA ILE 30 1.983 10.038 -1.347 235 HB ILE 30 HB ILE 30 3.321 12.755 -1.482 236 HG12 ILE 30 2HG1 ILE 30 3.138 12.314 0.836 237 HG13 ILE 30 1HG1 ILE 30 1.756 13.325 0.422 238 HG21 ILE 30 1HG2 ILE 30 0.446 11.940 -1.757 239 HG22 ILE 30 2HG2 ILE 30 1.528 12.402 -3.073 240 HG23 ILE 30 3HG2 ILE 30 1.076 13.587 -1.847 241 HD11 ILE 30 1HD1 ILE 30 1.692 10.340 0.714 242 HD12 ILE 30 2HD1 ILE 30 0.316 11.399 0.403 243 HD13 ILE 30 3HD1 ILE 30 1.180 11.501 1.937 244 H TRP 31 H TRP 31 1.543 10.137 -3.641 245 HA TRP 31 HA TRP 31 4.036 10.212 -5.229 246 HB2 TRP 31 2HB TRP 31 3.345 7.949 -5.023 247 HB3 TRP 31 1HB TRP 31 1.684 8.357 -5.445 248 HD1 TRP 31 HD TRP 31 1.120 8.638 -8.006 249 HE1 TRP 31 1HE TRP 31 2.435 8.073 -10.168 250 HE3 TRP 31 3HE TRP 31 5.677 8.054 -5.919 251 HZ2 TRP 31 2HZ TRP 31 5.096 7.448 -10.839 252 HZ3 TRP 31 3HZ TRP 31 7.581 7.486 -7.371 253 HH2 TRP 31 HH TRP 31 7.289 7.196 -9.772 254 H ASP 32 H ASP 32 4.024 11.443 -7.014 255 HA ASP 32 HA ASP 32 1.438 12.526 -7.930 256 HB2 ASP 32 2HB ASP 32 3.267 14.111 -7.015 257 HB3 ASP 32 1HB ASP 32 4.098 13.784 -8.533 258 HA PRO 33 HA PRO 33 2.304 9.845 -11.407 259 HB2 PRO 33 2HB PRO 33 -0.022 10.289 -12.691 260 HB3 PRO 33 1HB PRO 33 0.089 9.281 -11.241 261 HG2 PRO 33 2HG PRO 33 -0.750 12.147 -11.495 262 HG3 PRO 33 1HG PRO 33 -1.516 10.839 -10.573 263 HD2 PRO 33 2HD PRO 33 0.096 12.673 -9.422 264 HD3 PRO 33 1HD PRO 33 0.006 10.996 -8.850 265 H SER 34 H SER 34 2.588 13.086 -11.411 266 HA SER 34 HA SER 34 2.456 13.378 -14.322 267 HB2 SER 34 2HB SER 34 1.578 15.097 -12.439 268 HB3 SER 34 1HB SER 34 3.213 15.715 -12.669 269 HG SER 34 HG SER 34 2.647 15.622 -15.009 270 H SER 35 H SER 35 4.676 14.103 -11.636 271 HA SER 35 HA SER 35 6.893 14.258 -13.495 272 HB2 SER 35 2HB SER 35 7.234 14.396 -10.526 273 HB3 SER 35 1HB SER 35 8.089 15.274 -11.794 274 HG SER 35 HG SER 35 6.780 16.827 -11.286 275 H LYS 36 H LYS 36 5.496 12.124 -11.159 276 HA LYS 36 HA LYS 36 5.680 9.902 -10.889 277 HB2 LYS 36 2HB LYS 36 6.761 8.538 -12.340 278 HB3 LYS 36 1HB LYS 36 6.834 10.005 -13.307 279 HG2 LYS 36 2HG LYS 36 9.051 10.299 -12.947 280 HG3 LYS 36 1HG LYS 36 9.016 9.471 -11.391 281 HD2 LYS 36 2HD LYS 36 10.203 8.255 -13.296 282 HD3 LYS 36 1HD LYS 36 8.990 7.340 -12.394 283 HE2 LYS 36 2HE LYS 36 7.344 7.811 -14.146 284 HE3 LYS 36 1HE LYS 36 8.567 8.710 -15.048 285 HZ1 LYS 36 1HZ LYS 36 8.302 5.817 -14.634 286 HZ2 LYS 36 2HZ LYS 36 9.860 6.460 -14.809 287 HZ3 LYS 36 3HZ LYS 36 8.716 6.675 -16.041 288 H MET 37 H MET 37 6.846 12.113 -9.536 289 HA MET 37 HA MET 37 8.973 10.871 -8.048 290 HB2 MET 37 2HB MET 37 9.056 13.163 -6.922 291 HB3 MET 37 1HB MET 37 9.569 13.117 -8.601 292 HG2 MET 37 2HG MET 37 8.266 15.013 -8.503 293 HG3 MET 37 1HG MET 37 7.155 13.802 -9.133 294 HE1 MET 37 1HE MET 37 5.336 15.832 -8.424 295 HE2 MET 37 2HE MET 37 6.643 16.729 -7.651 296 HE3 MET 37 3HE MET 37 5.170 16.372 -6.753 297 H TYR 38 H TYR 38 8.617 11.548 -5.645 298 HA TYR 38 HA TYR 38 5.870 11.279 -4.873 299 HB2 TYR 38 2HB TYR 38 6.332 9.312 -3.440 300 HB3 TYR 38 1HB TYR 38 6.484 8.954 -5.154 301 HD1 TYR 38 1HD TYR 38 8.337 9.513 -2.035 302 HD2 TYR 38 2HD TYR 38 8.560 8.206 -6.070 303 HE1 TYR 38 1HE TYR 38 10.545 8.550 -1.583 304 HE2 TYR 38 2HE TYR 38 10.770 7.243 -5.632 305 HH TYR 38 HH TYR 38 12.055 6.394 -3.732 306 H THR 39 H THR 39 5.639 11.883 -2.591 307 HA THR 39 HA THR 39 8.085 13.192 -1.605 308 HB THR 39 HB THR 39 6.787 14.840 -0.536 309 HG1 THR 39 1HG THR 39 4.958 13.361 -0.053 310 HG21 THR 39 1HG2 THR 39 5.727 14.406 -3.316 311 HG22 THR 39 2HG2 THR 39 7.211 15.256 -2.879 312 HG23 THR 39 3HG2 THR 39 5.646 15.921 -2.418 313 H SER 40 H SER 40 8.983 12.077 -0.107 314 HA SER 40 HA SER 40 7.371 10.303 1.554 315 HB2 SER 40 2HB SER 40 9.341 9.414 0.245 316 HB3 SER 40 1HB SER 40 10.380 10.384 1.290 317 HG SER 40 HG SER 40 9.910 9.108 2.980 318 H ILE 41 H ILE 41 8.101 9.988 3.803 319 HA ILE 41 HA ILE 41 9.248 12.415 5.003 320 HB ILE 41 HB ILE 41 7.246 11.161 6.720 321 HG12 ILE 41 2HG1 ILE 41 5.814 12.791 4.762 322 HG13 ILE 41 1HG1 ILE 41 6.413 11.275 4.097 323 HG21 ILE 41 1HG2 ILE 41 8.300 13.277 7.237 324 HG22 ILE 41 2HG2 ILE 41 6.560 13.496 7.054 325 HG23 ILE 41 3HG2 ILE 41 7.651 13.986 5.759 326 HD11 ILE 41 1HD1 ILE 41 4.140 11.070 4.952 327 HD12 ILE 41 2HD1 ILE 41 4.703 11.539 6.557 328 HD13 ILE 41 3HD1 ILE 41 5.265 10.034 5.830 329 HA PRO 42 HA PRO 42 11.745 9.232 6.858 330 HB2 PRO 42 2HB PRO 42 12.573 11.318 8.758 331 HB3 PRO 42 1HB PRO 42 13.545 10.420 7.589 332 HG2 PRO 42 2HG PRO 42 12.970 13.022 7.253 333 HG3 PRO 42 1HG PRO 42 13.102 11.907 5.881 334 HD2 PRO 42 2HD PRO 42 10.650 12.974 7.228 335 HD3 PRO 42 1HD PRO 42 10.970 12.733 5.497 336 H ASN 43 H ASN 43 10.774 7.769 8.099 337 HA ASN 43 HA ASN 43 9.163 8.574 10.371 338 HB2 ASN 43 2HB ASN 43 8.267 6.809 8.958 339 HB3 ASN 43 1HB ASN 43 9.732 5.852 9.170 340 HD21 ASN 43 1HD2 ASN 43 9.779 4.414 10.771 341 HD22 ASN 43 2HD2 ASN 43 8.627 4.319 12.058 342 H ASP 44 H ASP 44 10.436 9.234 11.992 343 HA ASP 44 HA ASP 44 11.825 9.162 13.783 344 HB2 ASP 44 2HB ASP 44 10.686 6.632 13.656 345 HB3 ASP 44 1HB ASP 44 12.411 6.301 13.789 346 H LYS 45 H LYS 45 12.974 9.728 11.361 347 HA LYS 45 HA LYS 45 15.596 8.400 11.565 348 HB2 LYS 45 2HB LYS 45 14.148 9.424 9.131 349 HB3 LYS 45 1HB LYS 45 15.872 9.081 9.134 350 HG2 LYS 45 2HG LYS 45 15.100 6.757 10.051 351 HG3 LYS 45 1HG LYS 45 13.563 7.215 9.310 352 HD2 LYS 45 2HD LYS 45 14.969 5.905 7.782 353 HD3 LYS 45 1HD LYS 45 14.670 7.534 7.169 354 HE2 LYS 45 2HE LYS 45 16.854 8.255 7.767 355 HE3 LYS 45 1HE LYS 45 17.140 6.808 8.728 356 HZ1 LYS 45 1HZ LYS 45 16.767 6.796 5.782 357 HZ2 LYS 45 2HZ LYS 45 17.228 5.488 6.765 358 HZ3 LYS 45 3HZ LYS 45 18.273 6.801 6.556 359 HA PRO 46 HA PRO 46 16.669 12.638 12.733 360 HB2 PRO 46 2HB PRO 46 19.286 11.378 13.236 361 HB3 PRO 46 1HB PRO 46 18.248 12.282 14.343 362 HG2 PRO 46 2HG PRO 46 18.570 9.629 14.563 363 HG3 PRO 46 1HG PRO 46 17.023 10.415 14.931 364 HD2 PRO 46 2HD PRO 46 17.853 8.908 12.480 365 HD3 PRO 46 1HD PRO 46 16.305 8.874 13.349 366 H GLY 47 H GLY 47 17.041 13.938 11.054 367 HA2 GLY 47 2HA GLY 47 18.904 13.125 8.942 368 HA3 GLY 47 1HA GLY 47 17.781 14.476 8.880 369 H GLY 48 H GLY 48 20.121 13.733 11.424 370 HA2 GLY 48 2HA GLY 48 21.086 16.445 11.391 371 HA3 GLY 48 1HA GLY 48 21.620 15.156 12.457 372 H SER 49 H SER 49 21.843 16.256 9.098 373 HA SER 49 HA SER 49 24.695 15.965 9.067 374 HB2 SER 49 2HB SER 49 22.992 14.098 7.392 375 HB3 SER 49 1HB SER 49 24.709 14.390 7.109 376 HG SER 49 HG SER 49 24.098 13.731 9.713 377 H SER 50 H SER 50 25.518 16.538 6.784 378 HA SER 50 HA SER 50 24.504 19.016 6.044 379 HB2 SER 50 2HB SER 50 26.090 17.192 4.233 380 HB3 SER 50 1HB SER 50 26.054 18.955 4.222 381 HG SER 50 HG SER 50 27.668 18.852 5.561 382 H GLN 51 H GLN 51 24.179 15.942 4.235 383 HA GLN 51 HA GLN 51 21.690 17.032 3.104 384 HB2 GLN 51 2HB GLN 51 23.902 15.584 1.647 385 HB3 GLN 51 1HB GLN 51 22.274 15.734 0.996 386 HG2 GLN 51 2HG GLN 51 22.522 18.211 1.175 387 HG3 GLN 51 1HG GLN 51 24.208 17.954 1.616 388 HE21 GLN 51 1HE2 GLN 51 24.596 15.705 -0.159 389 HE22 GLN 51 2HE2 GLN 51 24.620 16.344 -1.773 390 H ALA 52 H ALA 52 21.144 15.729 5.141 391 HA ALA 52 HA ALA 52 20.905 12.870 4.543 392 HB1 ALA 52 1HB ALA 52 21.900 13.464 6.707 393 HB2 ALA 52 2HB ALA 52 20.392 12.571 6.903 394 HB3 ALA 52 3HB ALA 52 20.421 14.317 7.146 395 H THR 53 H THR 53 18.698 12.619 6.459 396 HA THR 53 HA THR 53 16.523 12.910 4.638 397 HB THR 53 HB THR 53 15.432 12.265 7.086 398 HG1 THR 53 1HG THR 53 16.966 11.481 8.314 399 HG21 THR 53 1HG2 THR 53 16.685 10.389 5.070 400 HG22 THR 53 2HG2 THR 53 15.064 11.079 4.964 401 HG23 THR 53 3HG2 THR 53 15.462 9.956 6.263 402 H LYS 54 H LYS 54 17.854 15.385 5.872 403 HA LYS 54 HA LYS 54 15.772 16.567 7.476 404 HB2 LYS 54 2HB LYS 54 17.264 18.656 7.134 405 HB3 LYS 54 1HB LYS 54 17.877 17.324 8.107 406 HG2 LYS 54 2HG LYS 54 19.487 16.782 6.611 407 HG3 LYS 54 1HG LYS 54 18.512 17.261 5.219 408 HD2 LYS 54 2HD LYS 54 20.417 18.756 5.489 409 HD3 LYS 54 1HD LYS 54 18.907 19.621 5.771 410 HE2 LYS 54 2HE LYS 54 19.228 19.407 8.180 411 HE3 LYS 54 1HE LYS 54 20.731 18.527 7.910 412 HZ1 LYS 54 1HZ LYS 54 20.323 21.245 6.824 413 HZ2 LYS 54 2HZ LYS 54 21.783 20.427 7.098 414 HZ3 LYS 54 3HZ LYS 54 20.871 21.005 8.410 415 H GLU 55 H GLU 55 16.164 16.075 4.212 416 HA GLU 55 HA GLU 55 14.161 18.104 3.594 417 HB2 GLU 55 2HB GLU 55 16.940 18.081 2.607 418 HB3 GLU 55 1HB GLU 55 15.709 18.299 1.369 419 HG2 GLU 55 2HG GLU 55 15.677 19.953 3.857 420 HG3 GLU 55 1HG GLU 55 16.735 20.364 2.510 421 H ILE 56 H ILE 56 12.559 17.164 2.544 422 HA ILE 56 HA ILE 56 13.163 14.802 0.886 423 HB ILE 56 HB ILE 56 10.500 15.514 2.108 424 HG12 ILE 56 2HG1 ILE 56 12.170 14.766 3.792 425 HG13 ILE 56 1HG1 ILE 56 10.865 13.605 3.588 426 HG21 ILE 56 1HG2 ILE 56 10.355 14.367 -0.043 427 HG22 ILE 56 2HG2 ILE 56 9.814 13.330 1.274 428 HG23 ILE 56 3HG2 ILE 56 11.409 13.089 0.563 429 HD11 ILE 56 1HD1 ILE 56 12.326 12.225 2.182 430 HD12 ILE 56 2HD1 ILE 56 13.001 12.483 3.790 431 HD13 ILE 56 3HD1 ILE 56 13.634 13.389 2.417 432 H LYS 57 H LYS 57 13.654 15.839 -0.931 433 HA LYS 57 HA LYS 57 11.795 17.735 -2.110 434 HB2 LYS 57 2HB LYS 57 14.192 16.442 -3.439 435 HB3 LYS 57 1HB LYS 57 13.402 17.945 -3.881 436 HG2 LYS 57 2HG LYS 57 14.710 17.685 -1.212 437 HG3 LYS 57 1HG LYS 57 15.681 17.991 -2.655 438 HD2 LYS 57 2HD LYS 57 14.203 19.943 -3.139 439 HD3 LYS 57 1HD LYS 57 13.431 19.678 -1.573 440 HE2 LYS 57 2HE LYS 57 15.630 19.944 -0.484 441 HE3 LYS 57 1HE LYS 57 16.346 20.285 -2.062 442 HZ1 LYS 57 1HZ LYS 57 14.109 21.879 -0.954 443 HZ2 LYS 57 2HZ LYS 57 15.148 22.277 -2.240 444 HZ3 LYS 57 3HZ LYS 57 15.731 22.261 -0.645 445 HA PRO 58 HA PRO 58 9.320 14.676 -4.197 446 HB2 PRO 58 2HB PRO 58 9.315 15.941 -6.732 447 HB3 PRO 58 1HB PRO 58 8.079 16.070 -5.480 448 HG2 PRO 58 2HG PRO 58 10.256 17.933 -6.185 449 HG3 PRO 58 1HG PRO 58 8.691 18.262 -5.427 450 HD2 PRO 58 2HD PRO 58 11.032 18.329 -4.065 451 HD3 PRO 58 1HD PRO 58 9.494 17.864 -3.306 452 H GLN 59 H GLN 59 10.530 12.897 -4.420 453 HA GLN 59 HA GLN 59 12.780 12.909 -6.298 454 HB2 GLN 59 2HB GLN 59 12.090 11.223 -3.918 455 HB3 GLN 59 1HB GLN 59 13.198 10.617 -5.139 456 HG2 GLN 59 2HG GLN 59 14.830 12.118 -4.608 457 HG3 GLN 59 1HG GLN 59 13.692 13.313 -3.996 458 HE21 GLN 59 1HE2 GLN 59 12.943 13.148 -1.899 459 HE22 GLN 59 2HE2 GLN 59 13.694 12.121 -0.726 460 H LYS 60 H LYS 60 12.785 11.755 -8.067 461 HA LYS 60 HA LYS 60 10.391 10.498 -8.974 462 HB2 LYS 60 2HB LYS 60 13.129 10.935 -10.164 463 HB3 LYS 60 1HB LYS 60 11.943 9.909 -10.957 464 HG2 LYS 60 2HG LYS 60 10.396 11.799 -11.086 465 HG3 LYS 60 1HG LYS 60 11.604 12.833 -10.313 466 HD2 LYS 60 2HD LYS 60 13.116 12.540 -12.156 467 HD3 LYS 60 1HD LYS 60 12.068 11.324 -12.883 468 HE2 LYS 60 2HE LYS 60 10.318 13.060 -13.155 469 HE3 LYS 60 1HE LYS 60 11.458 14.256 -12.543 470 HZ1 LYS 60 1HZ LYS 60 11.593 14.392 -14.868 471 HZ2 LYS 60 2HZ LYS 60 11.620 12.708 -15.059 472 HZ3 LYS 60 3HZ LYS 60 12.964 13.505 -14.407 473 H LEU 61 H LEU 61 10.095 8.328 -9.264 474 HA LEU 61 HA LEU 61 11.093 6.565 -7.450 475 HB2 LEU 61 2HB LEU 61 9.816 6.307 -10.102 476 HB3 LEU 61 1HB LEU 61 10.521 4.855 -9.399 477 HG LEU 61 HG LEU 61 8.337 6.594 -8.232 478 HD11 LEU 61 1HD1 LEU 61 7.659 5.005 -9.966 479 HD12 LEU 61 2HD1 LEU 61 7.029 4.550 -8.384 480 HD13 LEU 61 3HD1 LEU 61 8.412 3.690 -9.063 481 HD21 LEU 61 1HD2 LEU 61 8.352 5.084 -6.331 482 HD22 LEU 61 2HD2 LEU 61 9.891 5.932 -6.483 483 HD23 LEU 61 3HD2 LEU 61 9.759 4.246 -6.986 484 H GLY 62 H GLY 62 12.951 5.667 -7.074 485 HA2 GLY 62 2HA GLY 62 15.177 6.046 -8.831 486 HA3 GLY 62 1HA GLY 62 15.192 5.172 -7.308 487 H GLU 63 H GLU 63 12.822 4.151 -9.528 488 HA GLU 63 HA GLU 63 12.488 2.252 -10.711 489 HB2 GLU 63 2HB GLU 63 15.446 2.195 -11.277 490 HB3 GLU 63 1HB GLU 63 14.124 1.648 -12.303 491 HG2 GLU 63 2HG GLU 63 13.674 4.373 -11.780 492 HG3 GLU 63 1HG GLU 63 15.380 4.203 -12.181 493 H ASP 64 H ASP 64 13.610 2.274 -7.887 494 HA ASP 64 HA ASP 64 14.413 -0.563 -7.705 495 HB2 ASP 64 2HB ASP 64 16.127 0.860 -6.790 496 HB3 ASP 64 1HB ASP 64 14.944 1.811 -5.901 497 H GLU 65 H GLU 65 12.036 1.712 -7.161 498 HA GLU 65 HA GLU 65 10.719 0.246 -5.052 499 HB2 GLU 65 2HB GLU 65 10.453 2.951 -6.227 500 HB3 GLU 65 1HB GLU 65 9.057 2.248 -5.402 501 HG2 GLU 65 2HG GLU 65 10.170 2.143 -3.355 502 HG3 GLU 65 1HG GLU 65 11.755 2.313 -4.107 503 H SER 66 H SER 66 9.955 1.503 -8.252 504 HA SER 66 HA SER 66 8.550 0.859 -9.893 505 HB2 SER 66 2HB SER 66 8.685 -1.915 -8.716 506 HB3 SER 66 1HB SER 66 8.445 -1.458 -10.404 507 HG SER 66 HG SER 66 10.532 -1.656 -10.540 508 H ILE 67 H ILE 67 6.734 1.921 -9.428 509 HA ILE 67 HA ILE 67 4.764 0.892 -7.572 510 HB ILE 67 HB ILE 67 4.779 3.291 -9.407 511 HG12 ILE 67 2HG1 ILE 67 5.067 2.882 -6.435 512 HG13 ILE 67 1HG1 ILE 67 6.216 3.621 -7.551 513 HG21 ILE 67 1HG2 ILE 67 2.631 2.470 -7.464 514 HG22 ILE 67 2HG2 ILE 67 2.498 2.485 -9.221 515 HG23 ILE 67 3HG2 ILE 67 2.704 3.997 -8.342 516 HD11 ILE 67 1HD1 ILE 67 5.086 5.258 -6.134 517 HD12 ILE 67 2HD1 ILE 67 3.537 4.766 -6.818 518 HD13 ILE 67 3HD1 ILE 67 4.758 5.513 -7.848 519 HA PRO 68 HA PRO 68 2.458 -1.541 -10.572 520 HB2 PRO 68 2HB PRO 68 0.116 -0.531 -9.042 521 HB3 PRO 68 1HB PRO 68 0.550 -2.191 -9.461 522 HG2 PRO 68 2HG PRO 68 0.881 -1.293 -6.979 523 HG3 PRO 68 1HG PRO 68 2.072 -2.375 -7.725 524 HD2 PRO 68 2HD PRO 68 2.225 0.570 -7.247 525 HD3 PRO 68 1HD PRO 68 3.504 -0.660 -7.166 526 H GLU 69 H GLU 69 2.059 -0.799 -12.571 527 HA GLU 69 HA GLU 69 1.644 1.859 -13.257 528 HB2 GLU 69 2HB GLU 69 1.230 -0.728 -14.703 529 HB3 GLU 69 1HB GLU 69 0.714 0.777 -15.450 530 HG2 GLU 69 2HG GLU 69 2.841 0.488 -16.290 531 HG3 GLU 69 1HG GLU 69 3.098 1.594 -14.943 532 H GLU 70 H GLU 70 -0.665 -0.463 -12.198 533 HA GLU 70 HA GLU 70 -2.972 0.715 -13.337 534 HB2 GLU 70 2HB GLU 70 -4.199 -0.593 -11.570 535 HB3 GLU 70 1HB GLU 70 -3.151 -1.538 -12.614 536 HG2 GLU 70 2HG GLU 70 -1.697 -2.051 -10.940 537 HG3 GLU 70 1HG GLU 70 -2.014 -0.560 -10.055 538 H ILE 71 H ILE 71 -0.971 1.671 -10.704 539 HA ILE 71 HA ILE 71 -3.075 3.562 -9.840 540 HB ILE 71 HB ILE 71 -2.324 3.464 -7.576 541 HG12 ILE 71 2HG1 ILE 71 -0.159 1.534 -8.446 542 HG13 ILE 71 1HG1 ILE 71 0.117 3.243 -8.127 543 HG21 ILE 71 1HG2 ILE 71 -3.836 1.671 -8.234 544 HG22 ILE 71 2HG2 ILE 71 -2.703 1.103 -7.007 545 HG23 ILE 71 3HG2 ILE 71 -2.462 0.666 -8.698 546 HD11 ILE 71 1HD1 ILE 71 -0.604 2.915 -5.812 547 HD12 ILE 71 2HD1 ILE 71 0.773 1.898 -6.237 548 HD13 ILE 71 3HD1 ILE 71 -0.842 1.200 -6.146 549 H ILE 72 H ILE 72 0.075 3.146 -11.003 550 HA ILE 72 HA ILE 72 1.551 5.240 -9.969 551 HB ILE 72 HB ILE 72 2.160 3.356 -11.570 552 HG12 ILE 72 2HG1 ILE 72 3.555 5.414 -10.645 553 HG13 ILE 72 1HG1 ILE 72 4.242 4.262 -11.778 554 HG21 ILE 72 1HG2 ILE 72 1.329 5.437 -13.544 555 HG22 ILE 72 2HG2 ILE 72 0.874 3.734 -13.475 556 HG23 ILE 72 3HG2 ILE 72 2.513 4.192 -13.940 557 HD11 ILE 72 1HD1 ILE 72 3.061 6.933 -12.513 558 HD12 ILE 72 2HD1 ILE 72 3.804 5.781 -13.620 559 HD13 ILE 72 3HD1 ILE 72 4.781 6.565 -12.379 560 H ASN 73 H ASN 73 -0.956 5.398 -12.432 561 HA ASN 73 HA ASN 73 -0.295 8.230 -12.832 562 HB2 ASN 73 2HB ASN 73 -0.675 6.419 -14.737 563 HB3 ASN 73 1HB ASN 73 -2.356 6.885 -14.497 564 HD21 ASN 73 1HD2 ASN 73 0.788 7.926 -15.523 565 HD22 ASN 73 2HD2 ASN 73 0.282 9.393 -16.282 566 H GLY 74 H GLY 74 -1.804 6.838 -10.584 567 HA2 GLY 74 2HA GLY 74 -4.166 8.652 -10.738 568 HA3 GLY 74 1HA GLY 74 -4.303 7.020 -10.111 569 H LYS 75 H LYS 75 -1.573 9.139 -9.423 570 HA LYS 75 HA LYS 75 -0.729 9.953 -7.470 571 HB2 LYS 75 2HB LYS 75 -2.865 11.319 -7.700 572 HB3 LYS 75 1HB LYS 75 -3.568 10.241 -6.505 573 HG2 LYS 75 2HG LYS 75 -2.830 11.754 -5.036 574 HG3 LYS 75 1HG LYS 75 -1.256 10.987 -5.275 575 HD2 LYS 75 2HD LYS 75 -0.901 12.640 -7.175 576 HD3 LYS 75 1HD LYS 75 -2.333 13.487 -6.579 577 HE2 LYS 75 2HE LYS 75 -1.234 13.717 -4.379 578 HE3 LYS 75 1HE LYS 75 0.203 12.937 -5.038 579 HZ1 LYS 75 1HZ LYS 75 0.481 15.315 -5.037 580 HZ2 LYS 75 2HZ LYS 75 -0.953 15.533 -5.916 581 HZ3 LYS 75 3HZ LYS 75 0.381 14.779 -6.646 582 H CYS 76 H CYS 76 0.341 8.534 -6.292 583 HA CYS 76 HA CYS 76 -1.232 6.427 -4.964 584 HB2 CYS 76 2HB CYS 76 1.740 6.321 -5.353 585 HB3 CYS 76 1HB CYS 76 0.624 4.998 -5.055 586 HG CYS 76 HG CYS 76 -0.596 5.810 -7.726 587 H PHE 77 H PHE 77 -0.157 5.550 -2.997 588 HA PHE 77 HA PHE 77 1.186 7.534 -1.342 589 HB2 PHE 77 2HB PHE 77 -1.392 6.159 -0.546 590 HB3 PHE 77 1HB PHE 77 -0.405 7.167 0.508 591 HD1 PHE 77 1HD PHE 77 0.007 9.592 -0.288 592 HD2 PHE 77 2HD PHE 77 -3.109 7.100 -1.757 593 HE1 PHE 77 1HE PHE 77 -1.209 11.583 -1.057 594 HE2 PHE 77 2HE PHE 77 -4.334 9.089 -2.527 595 HZ PHE 77 HZ PHE 77 -3.378 11.330 -2.198 596 H PHE 78 H PHE 78 2.912 6.505 -0.604 597 HA PHE 78 HA PHE 78 2.897 3.604 -0.419 598 HB2 PHE 78 2HB PHE 78 4.917 4.759 -1.256 599 HB3 PHE 78 1HB PHE 78 5.084 5.580 0.290 600 HD1 PHE 78 1HD PHE 78 6.155 4.542 2.111 601 HD2 PHE 78 2HD PHE 78 5.169 2.271 -1.350 602 HE1 PHE 78 1HE PHE 78 7.510 2.669 2.955 603 HE2 PHE 78 2HE PHE 78 6.526 0.401 -0.518 604 HZ PHE 78 HZ PHE 78 7.700 0.597 1.639 605 H ILE 79 H ILE 79 1.734 2.909 1.217 606 HA ILE 79 HA ILE 79 2.052 4.202 3.850 607 HB ILE 79 HB ILE 79 -0.094 3.548 4.445 608 HG12 ILE 79 2HG1 ILE 79 0.285 1.498 2.308 609 HG13 ILE 79 1HG1 ILE 79 -0.281 1.308 3.964 610 HG21 ILE 79 1HG2 ILE 79 -0.302 4.172 1.495 611 HG22 ILE 79 2HG2 ILE 79 -0.125 5.359 2.787 612 HG23 ILE 79 3HG2 ILE 79 -1.578 4.366 2.698 613 HD11 ILE 79 1HD1 ILE 79 -1.844 2.436 1.662 614 HD12 ILE 79 2HD1 ILE 79 -2.410 2.327 3.327 615 HD13 ILE 79 3HD1 ILE 79 -2.056 0.858 2.419 616 H HIS 80 H HIS 80 1.782 2.865 5.614 617 HA HIS 80 HA HIS 80 2.826 0.157 5.253 618 HB2 HIS 80 2HB HIS 80 4.597 1.271 6.261 619 HB3 HIS 80 1HB HIS 80 3.541 2.389 7.116 620 HD1 HIS 80 1HD HIS 80 5.202 -0.922 7.417 621 HD2 HIS 80 2HD HIS 80 2.509 1.448 9.497 622 HE1 HIS 80 1HE HIS 80 5.085 -1.916 9.732 623 HE2 HIS 80 2HE HIS 80 3.289 -0.595 10.910 624 H TYR 81 H TYR 81 1.140 -1.121 5.568 625 HA TYR 81 HA TYR 81 -1.289 -0.380 6.632 626 HB2 TYR 81 2HB TYR 81 -0.017 -3.028 6.101 627 HB3 TYR 81 1HB TYR 81 -1.551 -2.965 6.970 628 HD1 TYR 81 1HD TYR 81 -3.524 -1.890 5.896 629 HD2 TYR 81 2HD TYR 81 0.064 -2.640 3.748 630 HE1 TYR 81 1HE TYR 81 -4.738 -1.587 3.780 631 HE2 TYR 81 2HE TYR 81 -1.137 -2.345 1.624 632 HH TYR 81 HH TYR 81 -4.168 -0.946 1.406 633 H GLN 82 H GLN 82 -1.752 0.328 8.475 634 HA GLN 82 HA GLN 82 -0.240 -0.080 10.840 635 HB2 GLN 82 2HB GLN 82 -1.513 1.970 10.389 636 HB3 GLN 82 1HB GLN 82 -3.012 1.055 10.423 637 HG2 GLN 82 2HG GLN 82 -2.835 0.677 12.747 638 HG3 GLN 82 1HG GLN 82 -1.163 1.246 12.783 639 HE21 GLN 82 1HE2 GLN 82 -3.724 2.131 14.108 640 HE22 GLN 82 2HE2 GLN 82 -3.802 3.828 13.804 641 H GLY 83 H GLY 83 -0.283 -1.766 12.128 642 HA2 GLY 83 2HA GLY 83 -1.603 -3.214 13.591 643 HA3 GLY 83 1HA GLY 83 -2.745 -3.395 12.261 644 H TRP 84 H TRP 84 -0.564 -3.516 10.318 645 HA TRP 84 HA TRP 84 0.077 -6.341 10.616 646 HB2 TRP 84 2HB TRP 84 0.163 -4.423 8.282 647 HB3 TRP 84 1HB TRP 84 0.875 -6.030 8.198 648 HD1 TRP 84 HD TRP 84 -2.390 -4.226 7.842 649 HE1 TRP 84 1HE TRP 84 -4.260 -5.922 7.336 650 HE3 TRP 84 3HE TRP 84 0.144 -8.561 8.832 651 HZ2 TRP 84 2HZ TRP 84 -4.616 -8.722 7.359 652 HZ3 TRP 84 3HZ TRP 84 -1.033 -10.704 8.561 653 HH2 TRP 84 HH TRP 84 -3.366 -10.780 7.839 654 H LYS 85 H LYS 85 2.384 -6.217 8.861 655 HA LYS 85 HA LYS 85 4.303 -4.973 10.713 656 HB2 LYS 85 2HB LYS 85 5.898 -6.760 9.696 657 HB3 LYS 85 1HB LYS 85 4.777 -7.219 10.965 658 HG2 LYS 85 2HG LYS 85 3.278 -8.195 9.338 659 HG3 LYS 85 1HG LYS 85 4.316 -7.648 8.020 660 HD2 LYS 85 2HD LYS 85 6.080 -9.101 8.695 661 HD3 LYS 85 1HD LYS 85 5.260 -9.494 10.205 662 HE2 LYS 85 2HE LYS 85 3.946 -10.079 7.591 663 HE3 LYS 85 1HE LYS 85 5.186 -11.162 8.212 664 HZ1 LYS 85 1HZ LYS 85 2.985 -10.380 9.988 665 HZ2 LYS 85 2HZ LYS 85 3.884 -11.818 9.951 666 HZ3 LYS 85 3HZ LYS 85 2.683 -11.531 8.787 667 H SER 86 H SER 86 6.579 -4.943 9.425 668 HA SER 86 HA SER 86 6.358 -2.829 7.598 669 HB2 SER 86 2HB SER 86 8.871 -4.264 7.395 670 HB3 SER 86 1HB SER 86 8.547 -2.658 8.055 671 HG SER 86 HG SER 86 8.458 -3.458 10.014 672 H SER 87 H SER 87 6.148 -6.218 7.095 673 HA SER 87 HA SER 87 7.032 -6.214 4.374 674 HB2 SER 87 2HB SER 87 6.889 -8.213 6.057 675 HB3 SER 87 1HB SER 87 5.220 -8.323 5.503 676 HG SER 87 HG SER 87 6.246 -8.292 3.304 677 H TRP 88 H TRP 88 4.526 -4.682 5.657 678 HA TRP 88 HA TRP 88 2.767 -5.242 3.375 679 HB2 TRP 88 2HB TRP 88 2.103 -4.511 6.215 680 HB3 TRP 88 1HB TRP 88 0.951 -4.264 4.902 681 HD1 TRP 88 HD TRP 88 2.604 -7.033 6.950 682 HE1 TRP 88 1HE TRP 88 1.410 -9.264 6.449 683 HE3 TRP 88 3HE TRP 88 -0.383 -5.514 3.084 684 HZ2 TRP 88 2HZ TRP 88 -0.534 -10.236 4.660 685 HZ3 TRP 88 3HZ TRP 88 -1.876 -7.158 2.031 686 HH2 TRP 88 HH TRP 88 -1.953 -9.469 2.798 687 H ASP 89 H ASP 89 5.060 -3.305 3.905 688 HA ASP 89 HA ASP 89 3.809 -0.712 3.670 689 HB2 ASP 89 2HB ASP 89 6.655 -1.707 3.449 690 HB3 ASP 89 1HB ASP 89 6.232 -0.061 2.995 691 H GLU 90 H GLU 90 2.509 -0.729 1.883 692 HA GLU 90 HA GLU 90 3.863 -1.238 -0.679 693 HB2 GLU 90 2HB GLU 90 0.949 -1.831 -0.210 694 HB3 GLU 90 1HB GLU 90 1.948 -2.318 -1.572 695 HG2 GLU 90 2HG GLU 90 3.259 -3.456 0.532 696 HG3 GLU 90 1HG GLU 90 1.575 -3.570 1.038 697 H TRP 91 H TRP 91 2.519 -0.357 -2.536 698 HA TRP 91 HA TRP 91 1.923 2.445 -1.962 699 HB2 TRP 91 2HB TRP 91 2.505 0.895 -4.476 700 HB3 TRP 91 1HB TRP 91 1.825 2.510 -4.539 701 HD1 TRP 91 HD TRP 91 5.062 0.650 -4.088 702 HE1 TRP 91 1HE TRP 91 6.997 2.340 -3.991 703 HE3 TRP 91 3HE TRP 91 2.363 4.969 -3.593 704 HZ2 TRP 91 2HZ TRP 91 7.323 5.125 -3.775 705 HZ3 TRP 91 3HZ TRP 91 3.590 7.102 -3.440 706 HH2 TRP 91 HH TRP 91 6.016 7.173 -3.518 707 H VAL 92 H VAL 92 -0.133 3.115 -1.840 708 HA VAL 92 HA VAL 92 -2.181 1.535 -3.251 709 HB VAL 92 HB VAL 92 -3.839 2.419 -1.641 710 HG11 VAL 92 1HG1 VAL 92 -3.200 0.994 0.243 711 HG12 VAL 92 2HG1 VAL 92 -1.557 0.900 -0.390 712 HG13 VAL 92 3HG1 VAL 92 -2.897 0.209 -1.307 713 HG21 VAL 92 1HG2 VAL 92 -1.422 3.487 -0.195 714 HG22 VAL 92 2HG2 VAL 92 -3.064 3.453 0.447 715 HG23 VAL 92 3HG2 VAL 92 -2.688 4.441 -0.966 716 H GLY 93 H GLY 93 -4.062 2.897 -3.986 717 HA2 GLY 93 2HA GLY 93 -3.176 5.638 -4.625 718 HA3 GLY 93 1HA GLY 93 -3.859 4.590 -5.867 719 H TYR 94 H TYR 94 -5.138 6.907 -5.547 720 HA TYR 94 HA TYR 94 -7.126 7.051 -3.581 721 HB2 TYR 94 2HB TYR 94 -6.822 8.161 -6.335 722 HB3 TYR 94 1HB TYR 94 -8.364 8.341 -5.505 723 HD1 TYR 94 1HD TYR 94 -5.333 9.868 -6.129 724 HD2 TYR 94 2HD TYR 94 -8.078 9.156 -2.971 725 HE1 TYR 94 1HE TYR 94 -4.431 11.800 -4.928 726 HE2 TYR 94 2HE TYR 94 -7.188 11.083 -1.751 727 HH TYR 94 HH TYR 94 -5.046 12.397 -1.675 728 H ASP 95 H ASP 95 -6.761 4.891 -6.059 729 HA ASP 95 HA ASP 95 -9.592 4.287 -6.406 730 HB2 ASP 95 2HB ASP 95 -8.070 4.327 -8.371 731 HB3 ASP 95 1HB ASP 95 -7.168 2.989 -7.671 732 H ARG 96 H ARG 96 -6.960 3.336 -4.482 733 HA ARG 96 HA ARG 96 -8.401 0.894 -3.662 734 HB2 ARG 96 2HB ARG 96 -5.405 1.281 -3.879 735 HB3 ARG 96 1HB ARG 96 -6.175 -0.111 -3.132 736 HG2 ARG 96 2HG ARG 96 -7.315 -0.459 -5.394 737 HG3 ARG 96 1HG ARG 96 -6.128 0.686 -6.022 738 HD2 ARG 96 2HD ARG 96 -4.319 -0.742 -5.207 739 HD3 ARG 96 1HD ARG 96 -5.498 -1.879 -4.563 740 HE ARG 96 HE ARG 96 -4.632 -1.632 -7.291 741 HH11 ARG 96 1HH1 ARG 96 -7.276 -2.661 -5.222 742 HH12 ARG 96 2HH1 ARG 96 -7.934 -3.764 -6.390 743 HH21 ARG 96 1HH2 ARG 96 -5.484 -3.085 -8.821 744 HH22 ARG 96 2HH2 ARG 96 -6.912 -4.011 -8.434 745 H ILE 97 H ILE 97 -7.949 3.852 -2.808 746 HA ILE 97 HA ILE 97 -7.384 3.236 0.008 747 HB ILE 97 HB ILE 97 -5.693 4.700 -1.440 748 HG12 ILE 97 2HG1 ILE 97 -6.573 5.257 1.383 749 HG13 ILE 97 1HG1 ILE 97 -5.270 4.200 0.852 750 HG21 ILE 97 1HG2 ILE 97 -6.093 7.076 -1.188 751 HG22 ILE 97 2HG2 ILE 97 -7.656 6.743 -0.446 752 HG23 ILE 97 3HG2 ILE 97 -7.378 6.323 -2.135 753 HD11 ILE 97 1HD1 ILE 97 -5.319 7.198 0.636 754 HD12 ILE 97 2HD1 ILE 97 -4.009 6.151 0.092 755 HD13 ILE 97 3HD1 ILE 97 -4.404 6.251 1.809 756 H ARG 98 H ARG 98 -8.497 4.434 1.542 757 HA ARG 98 HA ARG 98 -10.843 5.948 0.619 758 HB2 ARG 98 2HB ARG 98 -10.924 4.176 3.062 759 HB3 ARG 98 1HB ARG 98 -12.267 4.890 2.186 760 HG2 ARG 98 2HG ARG 98 -10.530 2.616 1.242 761 HG3 ARG 98 1HG ARG 98 -12.187 2.499 1.836 762 HD2 ARG 98 2HD ARG 98 -11.312 4.015 -0.621 763 HD3 ARG 98 1HD ARG 98 -12.042 2.413 -0.624 764 HE ARG 98 HE ARG 98 -14.033 3.559 0.415 765 HH11 ARG 98 1HH1 ARG 98 -11.746 5.252 -1.610 766 HH12 ARG 98 2HH1 ARG 98 -12.905 6.392 -2.210 767 HH21 ARG 98 1HH2 ARG 98 -15.589 5.094 -0.330 768 HH22 ARG 98 2HH2 ARG 98 -15.085 6.331 -1.442 769 H ALA 99 H ALA 99 -11.737 6.921 3.007 770 HA ALA 99 HA ALA 99 -9.358 8.261 4.040 771 HB1 ALA 99 1HB ALA 99 -10.851 10.156 4.598 772 HB2 ALA 99 2HB ALA 99 -12.191 9.314 3.817 773 HB3 ALA 99 3HB ALA 99 -10.804 9.839 2.863 774 H TYR 100 H TYR 100 -9.056 8.047 6.138 775 HA TYR 100 HA TYR 100 -10.548 6.141 7.599 776 HB2 TYR 100 2HB TYR 100 -8.134 6.654 7.757 777 HB3 TYR 100 1HB TYR 100 -8.547 8.192 8.472 778 HD1 TYR 100 1HD TYR 100 -8.566 4.548 8.933 779 HD2 TYR 100 2HD TYR 100 -9.085 8.320 10.827 780 HE1 TYR 100 1HE TYR 100 -8.499 3.449 11.123 781 HE2 TYR 100 2HE TYR 100 -9.019 7.226 13.031 782 HH TYR 100 HH TYR 100 -8.160 3.840 13.356 783 H ASN 101 H ASN 101 -12.660 6.766 7.850 784 HA ASN 101 HA ASN 101 -13.204 8.938 9.695 785 HB2 ASN 101 2HB ASN 101 -14.995 9.859 8.210 786 HB3 ASN 101 1HB ASN 101 -13.367 10.107 7.589 787 HD21 ASN 101 1HD2 ASN 101 -13.611 10.125 5.466 788 HD22 ASN 101 2HD2 ASN 101 -14.359 8.877 4.533 789 H GLU 102 H GLU 102 -15.886 8.987 9.715 790 HA GLU 102 HA GLU 102 -16.476 6.483 10.948 791 HB2 GLU 102 2HB GLU 102 -17.847 9.083 10.684 792 HB3 GLU 102 1HB GLU 102 -18.875 7.683 10.966 793 HG2 GLU 102 2HG GLU 102 -18.464 8.060 13.126 794 HG3 GLU 102 1HG GLU 102 -16.910 7.300 12.809 795 H GLU 103 H GLU 103 -16.800 7.428 7.691 796 HA GLU 103 HA GLU 103 -19.126 5.712 7.280 797 HB2 GLU 103 2HB GLU 103 -18.882 7.869 6.026 798 HB3 GLU 103 1HB GLU 103 -17.516 7.154 5.173 799 HG2 GLU 103 2HG GLU 103 -19.651 5.324 4.985 800 HG3 GLU 103 1HG GLU 103 -20.302 6.918 4.628 801 H ASN 104 H ASN 104 -15.725 5.863 6.345 802 HA ASN 104 HA ASN 104 -15.818 3.444 4.818 803 HB2 ASN 104 2HB ASN 104 -13.536 5.133 5.851 804 HB3 ASN 104 1HB ASN 104 -13.287 3.671 4.904 805 HD21 ASN 104 1HD2 ASN 104 -15.661 4.183 3.262 806 HD22 ASN 104 2HD2 ASN 104 -15.213 5.449 2.181 807 H ILE 105 H ILE 105 -14.903 4.357 8.047 808 HA ILE 105 HA ILE 105 -13.728 1.874 8.768 809 HB ILE 105 HB ILE 105 -14.787 4.169 10.341 810 HG12 ILE 105 2HG1 ILE 105 -12.024 3.200 9.630 811 HG13 ILE 105 1HG1 ILE 105 -12.798 4.698 9.119 812 HG21 ILE 105 1HG2 ILE 105 -13.728 3.185 12.316 813 HG22 ILE 105 2HG2 ILE 105 -13.364 1.735 11.381 814 HG23 ILE 105 3HG2 ILE 105 -15.039 2.183 11.698 815 HD11 ILE 105 1HD1 ILE 105 -12.752 5.510 11.389 816 HD12 ILE 105 2HD1 ILE 105 -11.134 5.070 10.836 817 HD13 ILE 105 3HD1 ILE 105 -12.018 4.000 11.927 818 H ALA 106 H ALA 106 -16.915 3.347 9.127 819 HA ALA 106 HA ALA 106 -18.059 1.421 10.782 820 HB1 ALA 106 1HB ALA 106 -20.214 2.211 9.989 821 HB2 ALA 106 2HB ALA 106 -19.431 3.026 8.634 822 HB3 ALA 106 3HB ALA 106 -19.128 3.567 10.284 823 H MET 107 H MET 107 -17.395 1.469 7.364 824 HA MET 107 HA MET 107 -18.936 -0.900 6.845 825 HB2 MET 107 2HB MET 107 -18.050 0.985 5.144 826 HB3 MET 107 1HB MET 107 -16.728 -0.162 4.996 827 HG2 MET 107 2HG MET 107 -18.230 -1.896 4.316 828 HG3 MET 107 1HG MET 107 -19.623 -0.857 4.601 829 HE1 MET 107 1HE MET 107 -20.219 1.270 3.132 830 HE2 MET 107 2HE MET 107 -19.212 1.851 1.805 831 HE3 MET 107 3HE MET 107 -18.617 1.936 3.464 832 H LYS 108 H LYS 108 -15.505 -0.083 7.306 833 HA LYS 108 HA LYS 108 -14.294 -2.497 6.897 834 HB2 LYS 108 2HB LYS 108 -13.052 -0.457 7.358 835 HB3 LYS 108 1HB LYS 108 -13.688 -0.403 8.994 836 HG2 LYS 108 2HG LYS 108 -12.386 -2.228 9.678 837 HG3 LYS 108 1HG LYS 108 -12.002 -2.685 8.015 838 HD2 LYS 108 2HD LYS 108 -10.130 -1.479 8.183 839 HD3 LYS 108 1HD LYS 108 -11.131 -0.033 8.290 840 HE2 LYS 108 2HE LYS 108 -9.514 -0.172 10.128 841 HE3 LYS 108 1HE LYS 108 -11.175 -0.210 10.708 842 HZ1 LYS 108 1HZ LYS 108 -11.013 -2.379 11.342 843 HZ2 LYS 108 2HZ LYS 108 -9.413 -1.881 11.613 844 HZ3 LYS 108 3HZ LYS 108 -9.803 -2.753 10.214 845 H LYS 109 H LYS 109 -15.948 -1.390 9.801 846 HA LYS 109 HA LYS 109 -15.362 -3.649 11.417 847 HB2 LYS 109 2HB LYS 109 -17.921 -2.067 11.620 848 HB3 LYS 109 1HB LYS 109 -17.049 -2.887 12.905 849 HG2 LYS 109 2HG LYS 109 -16.038 -0.461 11.434 850 HG3 LYS 109 1HG LYS 109 -16.868 -0.425 12.989 851 HD2 LYS 109 2HD LYS 109 -14.745 -2.319 13.133 852 HD3 LYS 109 1HD LYS 109 -14.110 -0.808 12.477 853 HE2 LYS 109 2HE LYS 109 -13.903 -0.355 14.700 854 HE3 LYS 109 1HE LYS 109 -15.550 0.223 14.442 855 HZ1 LYS 109 1HZ LYS 109 -16.410 -1.838 15.289 856 HZ2 LYS 109 2HZ LYS 109 -15.322 -1.191 16.421 857 HZ3 LYS 109 3HZ LYS 109 -14.849 -2.480 15.434 858 H ARG 110 H ARG 110 -18.114 -2.905 9.356 859 HA ARG 110 HA ARG 110 -19.449 -5.387 9.766 860 HB2 ARG 110 2HB ARG 110 -20.373 -3.133 8.895 861 HB3 ARG 110 1HB ARG 110 -19.723 -3.622 7.344 862 HG2 ARG 110 2HG ARG 110 -21.118 -5.640 7.416 863 HG3 ARG 110 1HG ARG 110 -21.814 -5.083 8.938 864 HD2 ARG 110 2HD ARG 110 -23.380 -4.179 7.597 865 HD3 ARG 110 1HD ARG 110 -22.186 -2.897 7.391 866 HE ARG 110 HE ARG 110 -22.178 -5.170 5.530 867 HH11 ARG 110 1HH1 ARG 110 -22.662 -1.728 6.108 868 HH12 ARG 110 2HH1 ARG 110 -22.836 -1.366 4.418 869 HH21 ARG 110 1HH2 ARG 110 -22.363 -4.666 3.349 870 HH22 ARG 110 2HH2 ARG 110 -22.660 -3.022 2.848 871 H LEU 111 H LEU 111 -16.993 -4.203 7.724 872 HA LEU 111 HA LEU 111 -17.078 -6.171 5.697 873 HB2 LEU 111 2HB LEU 111 -15.380 -3.908 6.501 874 HB3 LEU 111 1HB LEU 111 -14.601 -5.116 5.522 875 HG LEU 111 HG LEU 111 -17.225 -4.059 4.741 876 HD11 LEU 111 1HD1 LEU 111 -15.871 -2.069 5.140 877 HD12 LEU 111 2HD1 LEU 111 -16.124 -2.297 3.410 878 HD13 LEU 111 3HD1 LEU 111 -14.582 -2.740 4.142 879 HD21 LEU 111 1HD2 LEU 111 -16.446 -4.475 2.492 880 HD22 LEU 111 2HD2 LEU 111 -16.440 -5.918 3.508 881 HD23 LEU 111 3HD2 LEU 111 -14.929 -5.079 3.156 882 H ALA 112 H ALA 112 -15.123 -5.780 8.626 883 HA ALA 112 HA ALA 112 -13.564 -8.099 8.075 884 HB1 ALA 112 1HB ALA 112 -12.748 -7.870 10.354 885 HB2 ALA 112 2HB ALA 112 -14.036 -6.723 10.720 886 HB3 ALA 112 3HB ALA 112 -12.781 -6.297 9.558 887 H ASN 113 H ASN 113 -16.699 -7.582 9.017 888 HA ASN 113 HA ASN 113 -16.984 -10.182 10.298 889 HB2 ASN 113 2HB ASN 113 -18.607 -7.703 10.131 890 HB3 ASN 113 1HB ASN 113 -19.486 -9.225 10.249 891 HD21 ASN 113 1HD2 ASN 113 -17.666 -6.864 11.900 892 HD22 ASN 113 2HD2 ASN 113 -17.712 -7.606 13.466 893 H GLU 114 H GLU 114 -18.013 -8.331 7.480 894 HA GLU 114 HA GLU 114 -19.606 -10.362 6.309 895 HB2 GLU 114 2HB GLU 114 -18.532 -7.725 5.461 896 HB3 GLU 114 1HB GLU 114 -19.030 -8.836 4.193 897 HG2 GLU 114 2HG GLU 114 -21.217 -9.021 5.583 898 HG3 GLU 114 1HG GLU 114 -20.664 -7.502 6.296 899 H ALA 115 H ALA 115 -16.240 -9.270 5.822 900 HA ALA 115 HA ALA 115 -15.802 -11.132 3.663 901 HB1 ALA 115 1HB ALA 115 -13.780 -9.727 5.406 902 HB2 ALA 115 2HB ALA 115 -14.450 -9.099 3.901 903 HB3 ALA 115 3HB ALA 115 -13.448 -10.551 3.881 904 H LYS 116 H LYS 116 -16.414 -11.593 6.788 905 HA LYS 116 HA LYS 116 -14.618 -13.852 7.167 906 HB2 LYS 116 2HB LYS 116 -14.654 -13.253 9.319 907 HB3 LYS 116 1HB LYS 116 -15.567 -11.839 8.833 908 HG2 LYS 116 2HG LYS 116 -17.567 -12.704 9.564 909 HG3 LYS 116 1HG LYS 116 -17.014 -14.378 9.458 910 HD2 LYS 116 2HD LYS 116 -15.957 -14.300 11.486 911 HD3 LYS 116 1HD LYS 116 -15.598 -12.579 11.351 912 HE2 LYS 116 2HE LYS 116 -18.101 -12.207 11.650 913 HE3 LYS 116 1HE LYS 116 -18.175 -13.897 12.149 914 HZ1 LYS 116 1HZ LYS 116 -16.855 -13.484 14.012 915 HZ2 LYS 116 2HZ LYS 116 -17.896 -12.146 13.961 916 HZ3 LYS 116 3HZ LYS 116 -16.298 -11.997 13.417 917 H GLU 117 H GLU 117 -17.605 -13.176 5.901 918 HA GLU 117 HA GLU 117 -18.513 -15.947 6.312 919 HB2 GLU 117 2HB GLU 117 -20.736 -14.334 5.578 920 HB3 GLU 117 1HB GLU 117 -20.493 -15.252 7.053 921 HG2 GLU 117 2HG GLU 117 -18.996 -13.004 7.515 922 HG3 GLU 117 1HG GLU 117 -20.359 -12.374 6.587 923 H ALA 118 H ALA 118 -18.294 -13.202 4.132 924 HA ALA 118 HA ALA 118 -19.421 -14.667 1.909 925 HB1 ALA 118 1HB ALA 118 -19.019 -12.645 0.626 926 HB2 ALA 118 2HB ALA 118 -18.092 -11.964 1.964 927 HB3 ALA 118 3HB ALA 118 -19.819 -12.265 2.152 928 H LYS 119 H LYS 119 -17.575 -16.273 2.564 929 HA LYS 119 HA LYS 119 -15.790 -16.379 0.368 930 HB2 LYS 119 2HB LYS 119 -14.610 -14.743 1.934 931 HB3 LYS 119 1HB LYS 119 -14.444 -16.081 3.062 932 HG2 LYS 119 2HG LYS 119 -12.405 -15.792 1.798 933 HG3 LYS 119 1HG LYS 119 -13.164 -17.329 1.380 934 HD2 LYS 119 2HD LYS 119 -14.166 -16.220 -0.613 935 HD3 LYS 119 1HD LYS 119 -13.228 -14.775 -0.225 936 HE2 LYS 119 2HE LYS 119 -11.162 -15.998 -0.489 937 HE3 LYS 119 1HE LYS 119 -12.049 -17.502 -0.743 938 HZ1 LYS 119 1HZ LYS 119 -13.101 -16.259 -2.704 939 HZ2 LYS 119 2HZ LYS 119 -11.511 -16.809 -2.873 940 HZ3 LYS 119 3HZ LYS 119 -11.806 -15.171 -2.543 941 H LYS 120 H LYS 120 -15.030 -18.480 0.103 942 HA LYS 120 HA LYS 120 -15.680 -20.367 2.258 943 HB2 LYS 120 2HB LYS 120 -16.334 -22.012 0.485 944 HB3 LYS 120 1HB LYS 120 -17.424 -20.641 0.640 945 HG2 LYS 120 2HG LYS 120 -16.392 -19.595 -1.315 946 HG3 LYS 120 1HG LYS 120 -15.297 -20.969 -1.472 947 HD2 LYS 120 2HD LYS 120 -17.054 -21.312 -3.026 948 HD3 LYS 120 1HD LYS 120 -17.340 -22.432 -1.693 949 HE2 LYS 120 2HE LYS 120 -18.913 -20.720 -0.736 950 HE3 LYS 120 1HE LYS 120 -18.738 -19.821 -2.243 951 HZ1 LYS 120 1HZ LYS 120 -20.685 -21.155 -2.397 952 HZ2 LYS 120 2HZ LYS 120 -19.862 -22.545 -1.894 953 HZ3 LYS 120 3HZ LYS 120 -19.517 -21.861 -3.410 Start of MODEL 11 1 H MET 1 1HT MET 1 -14.702 11.563 -6.321 2 HA MET 1 HA MET 1 -12.872 11.718 -5.019 3 HB2 MET 1 2HB MET 1 -11.153 13.400 -5.209 4 HB3 MET 1 1HB MET 1 -11.495 12.757 -6.807 5 HG2 MET 1 2HG MET 1 -12.575 15.360 -5.744 6 HG3 MET 1 1HG MET 1 -11.144 15.208 -6.760 7 HE1 MET 1 1HE MET 1 -12.847 16.256 -9.872 8 HE2 MET 1 2HE MET 1 -11.304 15.735 -9.200 9 HE3 MET 1 3HE MET 1 -12.237 16.997 -8.396 10 H VAL 2 H VAL 2 -13.094 12.262 -2.948 11 HA VAL 2 HA VAL 2 -14.370 14.810 -2.299 12 HB VAL 2 HB VAL 2 -15.801 13.544 -0.584 13 HG11 VAL 2 1HG1 VAL 2 -17.654 13.341 -2.156 14 HG12 VAL 2 2HG1 VAL 2 -16.522 13.401 -3.506 15 HG13 VAL 2 3HG1 VAL 2 -16.723 14.806 -2.459 16 HG21 VAL 2 1HG2 VAL 2 -16.521 11.311 -1.228 17 HG22 VAL 2 2HG2 VAL 2 -14.780 11.339 -0.941 18 HG23 VAL 2 3HG2 VAL 2 -15.402 11.327 -2.590 19 H ASP 3 H ASP 3 -13.903 15.636 -0.426 20 HA ASP 3 HA ASP 3 -12.677 16.185 1.374 21 HB2 ASP 3 2HB ASP 3 -13.644 13.430 2.076 22 HB3 ASP 3 1HB ASP 3 -12.757 14.434 3.224 23 H LEU 4 H LEU 4 -11.047 15.566 -0.619 24 HA LEU 4 HA LEU 4 -8.910 13.839 0.296 25 HB2 LEU 4 2HB LEU 4 -7.804 14.452 -1.744 26 HB3 LEU 4 1HB LEU 4 -9.494 14.152 -2.116 27 HG LEU 4 HG LEU 4 -9.107 16.926 -1.478 28 HD11 LEU 4 1HD1 LEU 4 -7.747 17.486 -3.496 29 HD12 LEU 4 2HD1 LEU 4 -7.334 15.777 -3.634 30 HD13 LEU 4 3HD1 LEU 4 -6.839 16.693 -2.212 31 HD21 LEU 4 1HD2 LEU 4 -10.985 15.917 -2.741 32 HD22 LEU 4 2HD2 LEU 4 -9.876 15.594 -4.074 33 HD23 LEU 4 3HD2 LEU 4 -10.211 17.254 -3.586 34 H GLU 5 H GLU 5 -9.967 16.696 1.287 35 HA GLU 5 HA GLU 5 -8.207 18.691 1.221 36 HB2 GLU 5 2HB GLU 5 -8.864 19.233 3.591 37 HB3 GLU 5 1HB GLU 5 -10.181 18.997 2.454 38 HG2 GLU 5 2HG GLU 5 -10.507 16.726 3.325 39 HG3 GLU 5 1HG GLU 5 -9.209 17.000 4.488 40 H GLN 6 H GLN 6 -7.759 15.883 3.388 41 HA GLN 6 HA GLN 6 -4.967 16.041 3.353 42 HB2 GLN 6 2HB GLN 6 -5.641 18.205 4.670 43 HB3 GLN 6 1HB GLN 6 -5.897 17.091 6.006 44 HG2 GLN 6 2HG GLN 6 -3.719 17.806 6.330 45 HG3 GLN 6 1HG GLN 6 -3.505 16.270 5.488 46 HE21 GLN 6 1HE2 GLN 6 -3.059 16.354 3.184 47 HE22 GLN 6 2HE2 GLN 6 -2.272 17.734 2.511 48 H GLU 7 H GLU 7 -6.675 13.938 3.222 49 HA GLU 7 HA GLU 7 -6.302 12.584 5.813 50 HB2 GLU 7 2HB GLU 7 -8.248 11.713 3.695 51 HB3 GLU 7 1HB GLU 7 -8.236 11.304 5.407 52 HG2 GLU 7 2HG GLU 7 -8.455 14.161 4.868 53 HG3 GLU 7 1HG GLU 7 -9.800 13.204 4.248 54 H PHE 8 H PHE 8 -5.257 12.750 2.648 55 HA PHE 8 HA PHE 8 -4.080 10.077 2.758 56 HB2 PHE 8 2HB PHE 8 -4.760 11.232 0.106 57 HB3 PHE 8 1HB PHE 8 -4.744 9.545 0.611 58 HD1 PHE 8 1HD PHE 8 -6.720 8.545 1.641 59 HD2 PHE 8 2HD PHE 8 -6.691 12.602 0.378 60 HE1 PHE 8 1HE PHE 8 -9.170 8.625 1.828 61 HE2 PHE 8 2HE PHE 8 -9.136 12.686 0.562 62 HZ PHE 8 HZ PHE 8 -10.369 10.703 1.297 63 H ALA 9 H ALA 9 -2.460 11.545 3.703 64 HA ALA 9 HA ALA 9 -0.776 12.584 1.639 65 HB1 ALA 9 1HB ALA 9 -1.878 14.361 3.816 66 HB2 ALA 9 2HB ALA 9 -2.246 14.463 2.093 67 HB3 ALA 9 3HB ALA 9 -0.618 14.814 2.671 68 H LEU 10 H LEU 10 0.717 14.114 3.498 69 HA LEU 10 HA LEU 10 2.645 12.286 4.263 70 HB2 LEU 10 2HB LEU 10 2.035 15.112 4.976 71 HB3 LEU 10 1HB LEU 10 3.321 14.276 5.819 72 HG LEU 10 HG LEU 10 4.247 13.771 3.435 73 HD11 LEU 10 1HD1 LEU 10 2.249 14.520 2.228 74 HD12 LEU 10 2HD1 LEU 10 3.691 15.425 1.763 75 HD13 LEU 10 3HD1 LEU 10 2.503 16.157 2.841 76 HD21 LEU 10 1HD2 LEU 10 5.348 15.223 5.051 77 HD22 LEU 10 2HD2 LEU 10 4.300 16.563 4.583 78 HD23 LEU 10 3HD2 LEU 10 5.454 15.901 3.428 79 H GLY 11 H GLY 11 2.044 10.577 5.569 80 HA2 GLY 11 2HA GLY 11 1.780 9.524 7.597 81 HA3 GLY 11 1HA GLY 11 1.892 11.101 8.374 82 H GLY 12 H GLY 12 -0.342 10.530 5.841 83 HA2 GLY 12 2HA GLY 12 -2.545 11.320 7.457 84 HA3 GLY 12 1HA GLY 12 -2.608 10.802 5.780 85 H ARG 13 H ARG 13 -4.214 10.203 8.227 86 HA ARG 13 HA ARG 13 -3.829 7.372 8.658 87 HB2 ARG 13 2HB ARG 13 -5.869 7.570 10.043 88 HB3 ARG 13 1HB ARG 13 -4.697 8.816 10.466 89 HG2 ARG 13 2HG ARG 13 -5.976 10.301 8.827 90 HG3 ARG 13 1HG ARG 13 -7.243 9.084 8.924 91 HD2 ARG 13 2HD ARG 13 -7.823 9.667 11.042 92 HD3 ARG 13 1HD ARG 13 -6.172 10.096 11.491 93 HE ARG 13 HE ARG 13 -6.750 12.251 11.073 94 HH11 ARG 13 1HH1 ARG 13 -8.814 10.246 9.060 95 HH12 ARG 13 2HH1 ARG 13 -9.481 11.596 8.186 96 HH21 ARG 13 1HH2 ARG 13 -7.663 14.018 9.950 97 HH22 ARG 13 2HH2 ARG 13 -8.829 13.727 8.681 98 H CYS 14 H CYS 14 -4.476 5.941 7.154 99 HA CYS 14 HA CYS 14 -6.939 6.543 5.701 100 HB2 CYS 14 2HB CYS 14 -4.239 6.041 4.587 101 HB3 CYS 14 1HB CYS 14 -5.617 5.367 3.725 102 HG CYS 14 HG CYS 14 -5.669 8.654 4.582 103 H LEU 15 H LEU 15 -7.933 4.834 4.670 104 HA LEU 15 HA LEU 15 -7.380 2.162 5.779 105 HB2 LEU 15 2HB LEU 15 -9.926 3.628 5.180 106 HB3 LEU 15 1HB LEU 15 -9.889 1.880 5.050 107 HG LEU 15 HG LEU 15 -9.450 3.553 7.518 108 HD11 LEU 15 1HD1 LEU 15 -11.468 1.417 6.836 109 HD12 LEU 15 2HD1 LEU 15 -11.771 3.154 6.894 110 HD13 LEU 15 3HD1 LEU 15 -11.350 2.283 8.370 111 HD21 LEU 15 1HD2 LEU 15 -9.507 0.853 8.226 112 HD22 LEU 15 2HD2 LEU 15 -8.142 1.966 8.331 113 HD23 LEU 15 3HD2 LEU 15 -8.361 0.971 6.888 114 H ALA 16 H ALA 16 -7.106 0.564 4.227 115 HA ALA 16 HA ALA 16 -7.474 1.487 1.463 116 HB1 ALA 16 1HB ALA 16 -4.997 0.118 2.509 117 HB2 ALA 16 2HB ALA 16 -5.123 1.792 1.965 118 HB3 ALA 16 3HB ALA 16 -5.331 0.474 0.814 119 H PHE 17 H PHE 17 -7.954 -0.075 -0.018 120 HA PHE 17 HA PHE 17 -9.316 -2.321 1.141 121 HB2 PHE 17 2HB PHE 17 -9.170 -1.074 -1.553 122 HB3 PHE 17 1HB PHE 17 -9.629 -2.772 -1.468 123 HD1 PHE 17 1HD PHE 17 -10.826 0.526 -1.357 124 HD2 PHE 17 2HD PHE 17 -11.469 -3.334 0.310 125 HE1 PHE 17 1HE PHE 17 -13.136 1.158 -0.792 126 HE2 PHE 17 2HE PHE 17 -13.783 -2.710 0.876 127 HZ PHE 17 HZ PHE 17 -14.620 -0.460 0.322 128 H HIS 18 H HIS 18 -8.037 -3.807 1.886 129 HA HIS 18 HA HIS 18 -5.894 -4.924 0.245 130 HB2 HIS 18 2HB HIS 18 -5.458 -4.507 2.675 131 HB3 HIS 18 1HB HIS 18 -6.772 -5.609 3.075 132 HD2 HIS 18 2HD HIS 18 -3.755 -6.227 0.595 133 HE1 HIS 18 1HE HIS 18 -3.873 -9.253 3.547 134 HE2 HIS 18 2HE HIS 18 -2.620 -8.371 1.528 135 H GLY 19 H GLY 19 -7.004 -5.951 -1.333 136 HA2 GLY 19 2HA GLY 19 -8.106 -7.745 -2.285 137 HA3 GLY 19 1HA GLY 19 -8.340 -8.406 -0.663 138 HA PRO 20 HA PRO 20 -12.449 -6.747 -1.250 139 HB2 PRO 20 2HB PRO 20 -13.570 -8.371 0.672 140 HB3 PRO 20 1HB PRO 20 -13.277 -8.831 -1.007 141 HG2 PRO 20 2HG PRO 20 -12.015 -9.877 1.340 142 HG3 PRO 20 1HG PRO 20 -11.689 -10.303 -0.347 143 HD2 PRO 20 2HD PRO 20 -10.241 -8.435 1.444 144 HD3 PRO 20 1HD PRO 20 -9.646 -9.350 0.041 145 H LEU 21 H LEU 21 -10.511 -6.302 1.550 146 HA LEU 21 HA LEU 21 -12.714 -4.733 2.714 147 HB2 LEU 21 2HB LEU 21 -10.943 -6.704 4.056 148 HB3 LEU 21 1HB LEU 21 -11.579 -5.346 4.968 149 HG LEU 21 HG LEU 21 -13.106 -7.561 3.636 150 HD11 LEU 21 1HD1 LEU 21 -12.998 -6.495 6.449 151 HD12 LEU 21 2HD1 LEU 21 -12.310 -8.016 5.870 152 HD13 LEU 21 3HD1 LEU 21 -14.059 -7.785 5.889 153 HD21 LEU 21 1HD2 LEU 21 -14.178 -4.964 4.736 154 HD22 LEU 21 2HD2 LEU 21 -15.157 -6.360 4.291 155 HD23 LEU 21 3HD2 LEU 21 -14.240 -5.500 3.054 156 H MET 22 H MET 22 -12.018 -3.317 4.474 157 HA MET 22 HA MET 22 -9.878 -1.578 3.578 158 HB2 MET 22 2HB MET 22 -12.449 -1.234 4.762 159 HB3 MET 22 1HB MET 22 -11.262 -0.597 5.890 160 HG2 MET 22 2HG MET 22 -11.361 1.272 4.703 161 HG3 MET 22 1HG MET 22 -10.412 0.412 3.492 162 HE1 MET 22 1HE MET 22 -14.039 1.334 4.668 163 HE2 MET 22 2HE MET 22 -14.108 -0.417 4.472 164 HE3 MET 22 3HE MET 22 -15.011 0.628 3.374 165 H TYR 23 H TYR 23 -7.930 -1.741 4.485 166 HA TYR 23 HA TYR 23 -7.748 -2.702 7.267 167 HB2 TYR 23 2HB TYR 23 -5.952 -3.077 4.887 168 HB3 TYR 23 1HB TYR 23 -5.306 -3.207 6.517 169 HD1 TYR 23 1HD TYR 23 -5.101 -5.351 7.305 170 HD2 TYR 23 2HD TYR 23 -8.336 -4.469 4.685 171 HE1 TYR 23 1HE TYR 23 -5.834 -7.691 7.429 172 HE2 TYR 23 2HE TYR 23 -9.076 -6.804 4.802 173 HH TYR 23 HH TYR 23 -7.730 -9.054 7.072 174 H GLU 24 H GLU 24 -6.562 -1.557 8.734 175 HA GLU 24 HA GLU 24 -6.292 1.209 8.400 176 HB2 GLU 24 2HB GLU 24 -5.113 -0.676 10.444 177 HB3 GLU 24 1HB GLU 24 -4.951 1.071 10.543 178 HG2 GLU 24 2HG GLU 24 -6.765 0.817 11.864 179 HG3 GLU 24 1HG GLU 24 -7.587 0.950 10.311 180 H ALA 25 H ALA 25 -4.692 2.487 7.674 181 HA ALA 25 HA ALA 25 -1.995 1.387 7.471 182 HB1 ALA 25 1HB ALA 25 -3.416 2.537 5.083 183 HB2 ALA 25 2HB ALA 25 -3.095 0.824 5.359 184 HB3 ALA 25 3HB ALA 25 -1.755 1.951 5.145 185 H LYS 26 H LYS 26 -0.364 2.878 7.178 186 HA LYS 26 HA LYS 26 -1.074 5.703 7.689 187 HB2 LYS 26 2HB LYS 26 -0.048 4.692 9.672 188 HB3 LYS 26 1HB LYS 26 1.293 4.093 8.705 189 HG2 LYS 26 2HG LYS 26 1.668 6.612 8.158 190 HG3 LYS 26 1HG LYS 26 0.699 6.876 9.610 191 HD2 LYS 26 2HD LYS 26 2.247 5.572 10.927 192 HD3 LYS 26 1HD LYS 26 3.174 5.155 9.487 193 HE2 LYS 26 2HE LYS 26 4.451 6.867 10.325 194 HE3 LYS 26 1HE LYS 26 3.379 7.763 9.252 195 HZ1 LYS 26 1HZ LYS 26 3.568 8.858 11.383 196 HZ2 LYS 26 2HZ LYS 26 3.055 7.456 12.192 197 HZ3 LYS 26 3HZ LYS 26 1.983 8.291 11.175 198 H ILE 27 H ILE 27 -0.541 6.953 6.036 199 HA ILE 27 HA ILE 27 1.031 5.960 3.863 200 HB ILE 27 HB ILE 27 0.037 8.771 4.334 201 HG12 ILE 27 2HG1 ILE 27 -1.291 6.906 2.429 202 HG13 ILE 27 1HG1 ILE 27 -1.591 6.665 4.147 203 HG21 ILE 27 1HG2 ILE 27 0.916 7.400 1.792 204 HG22 ILE 27 2HG2 ILE 27 1.825 8.633 2.668 205 HG23 ILE 27 3HG2 ILE 27 0.277 9.040 1.921 206 HD11 ILE 27 1HD1 ILE 27 -3.311 8.042 3.163 207 HD12 ILE 27 2HD1 ILE 27 -2.099 9.191 2.592 208 HD13 ILE 27 3HD1 ILE 27 -2.369 8.977 4.324 209 H LEU 28 H LEU 28 3.064 6.043 3.515 210 HA LEU 28 HA LEU 28 4.699 7.795 5.209 211 HB2 LEU 28 2HB LEU 28 4.844 5.139 5.082 212 HB3 LEU 28 1HB LEU 28 5.899 5.526 3.732 213 HG LEU 28 HG LEU 28 7.003 7.147 5.429 214 HD11 LEU 28 1HD1 LEU 28 6.972 6.282 7.722 215 HD12 LEU 28 2HD1 LEU 28 5.702 5.148 7.256 216 HD13 LEU 28 3HD1 LEU 28 5.401 6.887 7.196 217 HD21 LEU 28 1HD2 LEU 28 8.057 5.188 4.351 218 HD22 LEU 28 2HD2 LEU 28 7.434 4.171 5.656 219 HD23 LEU 28 3HD2 LEU 28 8.611 5.441 6.008 220 H LYS 29 H LYS 29 3.859 6.997 1.949 221 HA LYS 29 HA LYS 29 5.519 9.213 1.015 222 HB2 LYS 29 2HB LYS 29 5.494 6.627 -0.540 223 HB3 LYS 29 1HB LYS 29 6.507 8.042 -0.796 224 HG2 LYS 29 2HG LYS 29 7.534 7.561 1.447 225 HG3 LYS 29 1HG LYS 29 6.683 6.018 1.405 226 HD2 LYS 29 2HD LYS 29 7.841 5.399 -0.628 227 HD3 LYS 29 1HD LYS 29 8.642 6.978 -0.677 228 HE2 LYS 29 2HE LYS 29 9.523 6.402 1.637 229 HE3 LYS 29 1HE LYS 29 8.996 4.752 1.302 230 HZ1 LYS 29 1HZ LYS 29 10.412 4.889 -0.754 231 HZ2 LYS 29 2HZ LYS 29 11.260 4.873 0.711 232 HZ3 LYS 29 3HZ LYS 29 11.063 6.325 -0.140 233 H ILE 30 H ILE 30 4.365 10.489 -0.249 234 HA ILE 30 HA ILE 30 1.839 9.481 -1.356 235 HB ILE 30 HB ILE 30 2.913 12.285 -0.973 236 HG12 ILE 30 2HG1 ILE 30 0.724 12.534 0.258 237 HG13 ILE 30 1HG1 ILE 30 0.502 10.799 0.064 238 HG21 ILE 30 1HG2 ILE 30 1.838 12.193 -3.167 239 HG22 ILE 30 2HG2 ILE 30 0.889 13.147 -2.028 240 HG23 ILE 30 3HG2 ILE 30 0.393 11.503 -2.427 241 HD11 ILE 30 1HD1 ILE 30 2.523 10.398 1.357 242 HD12 ILE 30 2HD1 ILE 30 1.343 11.348 2.260 243 HD13 ILE 30 3HD1 ILE 30 2.747 12.138 1.545 244 H TRP 31 H TRP 31 1.472 9.504 -3.657 245 HA TRP 31 HA TRP 31 4.014 9.766 -5.121 246 HB2 TRP 31 2HB TRP 31 3.310 7.497 -5.103 247 HB3 TRP 31 1HB TRP 31 1.672 7.941 -5.593 248 HD1 TRP 31 HD TRP 31 1.248 8.288 -8.137 249 HE1 TRP 31 1HE TRP 31 2.721 8.059 -10.241 250 HE3 TRP 31 3HE TRP 31 5.718 7.900 -5.840 251 HZ2 TRP 31 2HZ TRP 31 5.447 7.783 -10.808 252 HZ3 TRP 31 3HZ TRP 31 7.739 7.683 -7.219 253 HH2 TRP 31 HH TRP 31 7.584 7.622 -9.648 254 H ASP 32 H ASP 32 4.133 11.043 -6.834 255 HA ASP 32 HA ASP 32 1.678 12.359 -7.773 256 HB2 ASP 32 2HB ASP 32 3.425 13.840 -6.804 257 HB3 ASP 32 1HB ASP 32 4.533 13.299 -8.063 258 HA PRO 33 HA PRO 33 2.388 10.032 -11.536 259 HB2 PRO 33 2HB PRO 33 -0.020 11.074 -12.601 260 HB3 PRO 33 1HB PRO 33 0.215 9.531 -11.788 261 HG2 PRO 33 2HG PRO 33 -1.303 11.649 -10.834 262 HG3 PRO 33 1HG PRO 33 -0.708 10.287 -9.871 263 HD2 PRO 33 2HD PRO 33 0.369 13.055 -10.121 264 HD3 PRO 33 1HD PRO 33 0.328 11.974 -8.708 265 H SER 34 H SER 34 2.603 13.334 -11.249 266 HA SER 34 HA SER 34 2.478 13.888 -14.108 267 HB2 SER 34 2HB SER 34 3.106 15.840 -11.898 268 HB3 SER 34 1HB SER 34 2.551 16.201 -13.533 269 HG SER 34 HG SER 34 0.607 16.064 -12.776 270 H SER 35 H SER 35 4.909 13.785 -11.518 271 HA SER 35 HA SER 35 6.941 14.367 -13.572 272 HB2 SER 35 2HB SER 35 7.065 14.765 -10.577 273 HB3 SER 35 1HB SER 35 8.428 14.992 -11.670 274 HG SER 35 HG SER 35 7.570 16.968 -11.464 275 H LYS 36 H LYS 36 5.825 12.226 -11.128 276 HA LYS 36 HA LYS 36 6.082 9.985 -10.982 277 HB2 LYS 36 2HB LYS 36 7.047 10.086 -13.366 278 HB3 LYS 36 1HB LYS 36 8.618 10.028 -12.568 279 HG2 LYS 36 2HG LYS 36 8.061 7.961 -11.511 280 HG3 LYS 36 1HG LYS 36 6.417 8.046 -12.143 281 HD2 LYS 36 2HD LYS 36 8.877 7.897 -13.888 282 HD3 LYS 36 1HD LYS 36 7.931 6.490 -13.398 283 HE2 LYS 36 2HE LYS 36 5.920 7.762 -14.374 284 HE3 LYS 36 1HE LYS 36 7.128 8.775 -15.162 285 HZ1 LYS 36 1HZ LYS 36 6.268 6.840 -16.483 286 HZ2 LYS 36 2HZ LYS 36 7.116 5.826 -15.427 287 HZ3 LYS 36 3HZ LYS 36 7.954 6.959 -16.370 288 H MET 37 H MET 37 6.839 11.922 -9.330 289 HA MET 37 HA MET 37 9.054 10.760 -7.898 290 HB2 MET 37 2HB MET 37 9.273 12.994 -6.832 291 HB3 MET 37 1HB MET 37 9.517 13.079 -8.574 292 HG2 MET 37 2HG MET 37 6.927 13.600 -8.550 293 HG3 MET 37 1HG MET 37 7.300 14.134 -6.911 294 HE1 MET 37 1HE MET 37 6.072 16.146 -9.038 295 HE2 MET 37 2HE MET 37 7.077 17.557 -8.696 296 HE3 MET 37 3HE MET 37 6.502 16.535 -7.375 297 H TYR 38 H TYR 38 8.578 11.447 -5.474 298 HA TYR 38 HA TYR 38 5.795 11.131 -4.861 299 HB2 TYR 38 2HB TYR 38 6.122 9.151 -3.452 300 HB3 TYR 38 1HB TYR 38 6.494 8.807 -5.133 301 HD1 TYR 38 1HD TYR 38 8.592 7.982 -5.771 302 HD2 TYR 38 2HD TYR 38 8.008 9.451 -1.832 303 HE1 TYR 38 1HE TYR 38 10.745 7.018 -5.097 304 HE2 TYR 38 2HE TYR 38 10.160 8.503 -1.142 305 HH TYR 38 HH TYR 38 12.464 7.343 -3.340 306 H THR 39 H THR 39 5.448 11.684 -2.586 307 HA THR 39 HA THR 39 7.806 13.046 -1.469 308 HB THR 39 HB THR 39 6.361 14.665 -0.484 309 HG1 THR 39 1HG THR 39 4.505 13.115 -0.328 310 HG21 THR 39 1HG2 THR 39 5.684 14.264 -3.386 311 HG22 THR 39 2HG2 THR 39 7.103 15.100 -2.753 312 HG23 THR 39 3HG2 THR 39 5.497 15.772 -2.489 313 H SER 40 H SER 40 8.615 11.982 0.133 314 HA SER 40 HA SER 40 6.941 10.207 1.723 315 HB2 SER 40 2HB SER 40 9.276 9.662 0.668 316 HB3 SER 40 1HB SER 40 9.903 10.504 2.085 317 HG SER 40 HG SER 40 7.953 8.689 2.708 318 H ILE 41 H ILE 41 7.796 10.110 4.135 319 HA ILE 41 HA ILE 41 8.180 12.832 5.184 320 HB ILE 41 HB ILE 41 6.263 11.060 6.648 321 HG12 ILE 41 2HG1 ILE 41 4.624 12.757 5.171 322 HG13 ILE 41 1HG1 ILE 41 5.778 12.144 3.991 323 HG21 ILE 41 1HG2 ILE 41 5.333 13.198 7.370 324 HG22 ILE 41 2HG2 ILE 41 6.458 14.048 6.309 325 HG23 ILE 41 3HG2 ILE 41 7.069 13.118 7.675 326 HD11 ILE 41 1HD1 ILE 41 5.223 9.846 4.684 327 HD12 ILE 41 2HD1 ILE 41 3.842 10.729 4.033 328 HD13 ILE 41 3HD1 ILE 41 3.998 10.499 5.774 329 HA PRO 42 HA PRO 42 11.034 10.534 7.697 330 HB2 PRO 42 2HB PRO 42 11.360 12.894 9.361 331 HB3 PRO 42 1HB PRO 42 12.501 12.187 8.214 332 HG2 PRO 42 2HG PRO 42 11.267 14.584 7.815 333 HG3 PRO 42 1HG PRO 42 11.803 13.528 6.496 334 HD2 PRO 42 2HD PRO 42 9.060 13.902 7.631 335 HD3 PRO 42 1HD PRO 42 9.566 13.706 5.939 336 H ASN 43 H ASN 43 10.161 9.089 9.035 337 HA ASN 43 HA ASN 43 8.643 10.069 11.363 338 HB2 ASN 43 2HB ASN 43 7.379 8.620 9.713 339 HB3 ASN 43 1HB ASN 43 8.461 7.303 10.145 340 HD21 ASN 43 1HD2 ASN 43 7.217 9.725 12.371 341 HD22 ASN 43 2HD2 ASN 43 6.254 8.637 13.305 342 H ASP 44 H ASP 44 10.648 10.401 12.432 343 HA ASP 44 HA ASP 44 12.314 9.866 13.877 344 HB2 ASP 44 2HB ASP 44 10.592 7.421 14.019 345 HB3 ASP 44 1HB ASP 44 12.170 7.400 14.799 346 H LYS 45 H LYS 45 13.240 10.031 11.545 347 HA LYS 45 HA LYS 45 14.603 7.525 10.841 348 HB2 LYS 45 2HB LYS 45 13.606 9.833 9.290 349 HB3 LYS 45 1HB LYS 45 15.146 9.166 8.765 350 HG2 LYS 45 2HG LYS 45 14.219 7.217 8.058 351 HG3 LYS 45 1HG LYS 45 12.918 7.275 9.251 352 HD2 LYS 45 2HD LYS 45 11.613 8.642 7.972 353 HD3 LYS 45 1HD LYS 45 12.993 9.350 7.131 354 HE2 LYS 45 2HE LYS 45 11.960 6.543 6.722 355 HE3 LYS 45 1HE LYS 45 11.613 7.914 5.671 356 HZ1 LYS 45 1HZ LYS 45 14.207 6.553 6.114 357 HZ2 LYS 45 2HZ LYS 45 14.117 8.091 5.396 358 HZ3 LYS 45 3HZ LYS 45 13.367 6.765 4.657 359 HA PRO 46 HA PRO 46 18.220 9.698 12.390 360 HB2 PRO 46 2HB PRO 46 19.549 7.203 12.684 361 HB3 PRO 46 1HB PRO 46 18.757 8.138 13.952 362 HG2 PRO 46 2HG PRO 46 17.926 5.651 13.008 363 HG3 PRO 46 1HG PRO 46 16.944 6.778 13.962 364 HD2 PRO 46 2HD PRO 46 16.965 6.288 11.019 365 HD3 PRO 46 1HD PRO 46 15.606 6.685 12.093 366 H GLY 47 H GLY 47 18.295 10.346 10.039 367 HA2 GLY 47 2HA GLY 47 19.534 8.837 8.043 368 HA3 GLY 47 1HA GLY 47 19.454 10.591 8.084 369 H GLY 48 H GLY 48 20.964 11.052 10.422 370 HA2 GLY 48 2HA GLY 48 23.141 10.972 11.254 371 HA3 GLY 48 1HA GLY 48 23.517 9.718 10.079 372 H SER 49 H SER 49 22.279 13.016 9.724 373 HA SER 49 HA SER 49 24.730 13.943 8.537 374 HB2 SER 49 2HB SER 49 23.497 12.740 6.675 375 HB3 SER 49 1HB SER 49 22.225 13.948 6.833 376 HG SER 49 HG SER 49 23.709 14.537 5.201 377 H SER 50 H SER 50 24.554 16.266 7.948 378 HA SER 50 HA SER 50 23.383 17.744 10.034 379 HB2 SER 50 2HB SER 50 23.951 19.433 7.796 380 HB3 SER 50 1HB SER 50 24.888 19.223 9.278 381 HG SER 50 HG SER 50 26.009 17.530 8.314 382 H GLN 51 H GLN 51 22.556 17.545 6.582 383 HA GLN 51 HA GLN 51 19.814 18.297 7.290 384 HB2 GLN 51 2HB GLN 51 19.716 19.636 5.155 385 HB3 GLN 51 1HB GLN 51 20.700 20.331 6.433 386 HG2 GLN 51 2HG GLN 51 22.430 20.439 5.063 387 HG3 GLN 51 1HG GLN 51 22.370 18.692 4.824 388 HE21 GLN 51 1HE2 GLN 51 21.238 17.865 3.075 389 HE22 GLN 51 2HE2 GLN 51 20.841 18.830 1.696 390 H ALA 52 H ALA 52 18.518 16.702 6.718 391 HA ALA 52 HA ALA 52 18.673 15.534 4.096 392 HB1 ALA 52 1HB ALA 52 19.155 13.769 6.501 393 HB2 ALA 52 2HB ALA 52 20.337 14.169 5.254 394 HB3 ALA 52 3HB ALA 52 18.913 13.214 4.844 395 H THR 53 H THR 53 17.394 14.199 7.125 396 HA THR 53 HA THR 53 14.788 13.894 5.974 397 HB THR 53 HB THR 53 14.402 13.254 8.564 398 HG1 THR 53 1HG THR 53 16.276 12.718 9.542 399 HG21 THR 53 1HG2 THR 53 14.151 11.793 6.583 400 HG22 THR 53 2HG2 THR 53 14.920 10.968 7.942 401 HG23 THR 53 3HG2 THR 53 15.894 11.531 6.585 402 H LYS 54 H LYS 54 15.521 16.590 6.034 403 HA LYS 54 HA LYS 54 13.562 17.663 7.953 404 HB2 LYS 54 2HB LYS 54 16.164 18.918 7.063 405 HB3 LYS 54 1HB LYS 54 14.914 19.780 7.948 406 HG2 LYS 54 2HG LYS 54 15.637 18.988 9.883 407 HG3 LYS 54 1HG LYS 54 15.608 17.326 9.288 408 HD2 LYS 54 2HD LYS 54 17.849 17.741 9.871 409 HD3 LYS 54 1HD LYS 54 17.796 17.879 8.110 410 HE2 LYS 54 2HE LYS 54 19.002 19.760 8.642 411 HE3 LYS 54 1HE LYS 54 17.364 20.413 8.640 412 HZ1 LYS 54 1HZ LYS 54 19.106 20.705 10.655 413 HZ2 LYS 54 2HZ LYS 54 18.240 19.344 11.185 414 HZ3 LYS 54 3HZ LYS 54 17.420 20.787 10.838 415 H GLU 55 H GLU 55 14.521 17.281 4.746 416 HA GLU 55 HA GLU 55 12.374 19.038 3.857 417 HB2 GLU 55 2HB GLU 55 15.257 19.318 3.107 418 HB3 GLU 55 1HB GLU 55 14.022 19.689 1.915 419 HG2 GLU 55 2HG GLU 55 13.157 21.047 4.140 420 HG3 GLU 55 1HG GLU 55 14.910 21.216 4.223 421 H ILE 56 H ILE 56 11.196 17.229 3.314 422 HA ILE 56 HA ILE 56 12.325 15.290 1.455 423 HB ILE 56 HB ILE 56 9.491 15.473 2.458 424 HG12 ILE 56 2HG1 ILE 56 11.083 15.123 4.315 425 HG13 ILE 56 1HG1 ILE 56 10.109 13.686 4.020 426 HG21 ILE 56 1HG2 ILE 56 9.783 14.271 0.349 427 HG22 ILE 56 2HG2 ILE 56 9.324 13.178 1.654 428 HG23 ILE 56 3HG2 ILE 56 10.998 13.237 1.102 429 HD11 ILE 56 1HD1 ILE 56 12.386 13.052 4.455 430 HD12 ILE 56 2HD1 ILE 56 12.963 14.127 3.180 431 HD13 ILE 56 3HD1 ILE 56 11.998 12.711 2.768 432 H LYS 57 H LYS 57 12.735 16.420 -0.326 433 HA LYS 57 HA LYS 57 10.638 17.929 -1.637 434 HB2 LYS 57 2HB LYS 57 13.479 17.237 -2.447 435 HB3 LYS 57 1HB LYS 57 12.390 18.219 -3.419 436 HG2 LYS 57 2HG LYS 57 13.158 18.941 -0.602 437 HG3 LYS 57 1HG LYS 57 14.070 19.473 -2.017 438 HD2 LYS 57 2HD LYS 57 12.363 20.831 -2.769 439 HD3 LYS 57 1HD LYS 57 11.119 19.922 -1.910 440 HE2 LYS 57 2HE LYS 57 11.336 21.971 -0.765 441 HE3 LYS 57 1HE LYS 57 12.151 20.768 0.230 442 HZ1 LYS 57 1HZ LYS 57 13.192 23.138 -0.582 443 HZ2 LYS 57 2HZ LYS 57 13.912 22.030 -1.647 444 HZ3 LYS 57 3HZ LYS 57 14.077 21.830 0.033 445 HA PRO 58 HA PRO 58 8.879 14.589 -3.881 446 HB2 PRO 58 2HB PRO 58 9.212 16.301 -6.297 447 HB3 PRO 58 1HB PRO 58 7.766 15.490 -5.690 448 HG2 PRO 58 2HG PRO 58 8.070 18.115 -5.390 449 HG3 PRO 58 1HG PRO 58 7.356 17.134 -4.096 450 HD2 PRO 58 2HD PRO 58 10.085 18.307 -4.300 451 HD3 PRO 58 1HD PRO 58 9.052 18.078 -2.876 452 H GLN 59 H GLN 59 10.230 12.927 -4.019 453 HA GLN 59 HA GLN 59 12.571 13.109 -5.786 454 HB2 GLN 59 2HB GLN 59 11.949 11.443 -3.374 455 HB3 GLN 59 1HB GLN 59 13.176 10.922 -4.518 456 HG2 GLN 59 2HG GLN 59 14.623 12.572 -3.946 457 HG3 GLN 59 1HG GLN 59 13.341 13.705 -3.522 458 HE21 GLN 59 1HE2 GLN 59 12.409 13.602 -1.477 459 HE22 GLN 59 2HE2 GLN 59 13.167 12.756 -0.167 460 H LYS 60 H LYS 60 12.750 11.877 -7.524 461 HA LYS 60 HA LYS 60 10.520 10.489 -8.547 462 HB2 LYS 60 2HB LYS 60 13.351 10.621 -9.581 463 HB3 LYS 60 1HB LYS 60 11.957 10.024 -10.476 464 HG2 LYS 60 2HG LYS 60 10.972 12.379 -9.954 465 HG3 LYS 60 1HG LYS 60 12.662 12.818 -9.707 466 HD2 LYS 60 2HD LYS 60 13.225 12.204 -11.943 467 HD3 LYS 60 1HD LYS 60 11.641 11.470 -12.203 468 HE2 LYS 60 2HE LYS 60 10.613 13.706 -11.877 469 HE3 LYS 60 1HE LYS 60 12.234 14.392 -11.776 470 HZ1 LYS 60 1HZ LYS 60 11.273 14.603 -14.000 471 HZ2 LYS 60 2HZ LYS 60 11.163 12.912 -14.120 472 HZ3 LYS 60 3HZ LYS 60 12.682 13.658 -14.011 473 H LEU 61 H LEU 61 10.403 8.304 -9.100 474 HA LEU 61 HA LEU 61 11.074 6.542 -7.087 475 HB2 LEU 61 2HB LEU 61 10.242 6.222 -9.918 476 HB3 LEU 61 1HB LEU 61 10.728 4.796 -9.009 477 HG LEU 61 HG LEU 61 8.460 6.700 -8.386 478 HD11 LEU 61 1HD1 LEU 61 8.546 3.752 -9.038 479 HD12 LEU 61 2HD1 LEU 61 7.927 5.043 -10.067 480 HD13 LEU 61 3HD1 LEU 61 7.109 4.650 -8.555 481 HD21 LEU 61 1HD2 LEU 61 8.037 5.392 -6.406 482 HD22 LEU 61 2HD2 LEU 61 9.652 6.100 -6.334 483 HD23 LEU 61 3HD2 LEU 61 9.453 4.391 -6.722 484 H GLY 62 H GLY 62 12.864 5.771 -6.432 485 HA2 GLY 62 2HA GLY 62 15.365 6.121 -7.507 486 HA3 GLY 62 1HA GLY 62 14.966 4.935 -6.284 487 H GLU 63 H GLU 63 15.063 2.791 -6.802 488 HA GLU 63 HA GLU 63 15.645 2.207 -9.635 489 HB2 GLU 63 2HB GLU 63 16.881 0.704 -7.354 490 HB3 GLU 63 1HB GLU 63 17.373 0.733 -9.041 491 HG2 GLU 63 2HG GLU 63 17.447 3.300 -7.565 492 HG3 GLU 63 1HG GLU 63 18.646 2.082 -7.137 493 H ASP 64 H ASP 64 14.203 0.934 -6.655 494 HA ASP 64 HA ASP 64 13.022 -1.206 -8.322 495 HB2 ASP 64 2HB ASP 64 14.815 -1.909 -6.577 496 HB3 ASP 64 1HB ASP 64 13.546 -1.611 -5.391 497 H GLU 65 H GLU 65 12.431 1.515 -6.849 498 HA GLU 65 HA GLU 65 10.074 0.934 -5.340 499 HB2 GLU 65 2HB GLU 65 11.454 3.380 -6.364 500 HB3 GLU 65 1HB GLU 65 9.884 3.506 -5.570 501 HG2 GLU 65 2HG GLU 65 11.229 3.847 -3.777 502 HG3 GLU 65 1HG GLU 65 11.152 2.086 -3.721 503 H SER 66 H SER 66 10.611 0.606 -8.468 504 HA SER 66 HA SER 66 8.936 1.970 -10.074 505 HB2 SER 66 2HB SER 66 8.775 -0.921 -10.547 506 HB3 SER 66 1HB SER 66 9.446 0.356 -11.568 507 HG SER 66 HG SER 66 10.781 -1.408 -10.156 508 H ILE 67 H ILE 67 6.886 2.404 -10.137 509 HA ILE 67 HA ILE 67 4.969 0.806 -8.603 510 HB ILE 67 HB ILE 67 4.840 3.602 -9.723 511 HG12 ILE 67 2HG1 ILE 67 4.798 2.596 -6.885 512 HG13 ILE 67 1HG1 ILE 67 6.217 3.250 -7.703 513 HG21 ILE 67 1HG2 ILE 67 2.695 2.158 -8.170 514 HG22 ILE 67 2HG2 ILE 67 2.617 2.592 -9.877 515 HG23 ILE 67 3HG2 ILE 67 2.668 3.856 -8.649 516 HD11 ILE 67 1HD1 ILE 67 5.083 5.383 -7.953 517 HD12 ILE 67 2HD1 ILE 67 5.171 4.891 -6.264 518 HD13 ILE 67 3HD1 ILE 67 3.660 4.722 -7.153 519 HA PRO 68 HA PRO 68 3.114 -1.004 -12.280 520 HB2 PRO 68 2HB PRO 68 0.591 -0.313 -10.837 521 HB3 PRO 68 1HB PRO 68 1.058 -1.835 -11.609 522 HG2 PRO 68 2HG PRO 68 1.152 -1.575 -8.960 523 HG3 PRO 68 1HG PRO 68 2.410 -2.467 -9.829 524 HD2 PRO 68 2HD PRO 68 2.524 0.230 -8.588 525 HD3 PRO 68 1HD PRO 68 3.809 -0.977 -8.786 526 H GLU 69 H GLU 69 2.870 0.040 -14.148 527 HA GLU 69 HA GLU 69 2.546 2.793 -14.359 528 HB2 GLU 69 2HB GLU 69 2.196 0.633 -16.420 529 HB3 GLU 69 1HB GLU 69 2.192 2.350 -16.800 530 HG2 GLU 69 2HG GLU 69 4.493 1.947 -15.280 531 HG3 GLU 69 1HG GLU 69 4.403 0.563 -16.369 532 H GLU 70 H GLU 70 0.088 0.427 -13.949 533 HA GLU 70 HA GLU 70 -1.961 2.038 -15.191 534 HB2 GLU 70 2HB GLU 70 -3.524 0.344 -14.260 535 HB3 GLU 70 1HB GLU 70 -2.258 -0.335 -15.270 536 HG2 GLU 70 2HG GLU 70 -1.016 -0.707 -13.032 537 HG3 GLU 70 1HG GLU 70 -2.623 -0.524 -12.318 538 H ILE 71 H ILE 71 -0.456 1.937 -12.102 539 HA ILE 71 HA ILE 71 -2.675 3.530 -10.985 540 HB ILE 71 HB ILE 71 -2.037 2.839 -8.762 541 HG12 ILE 71 2HG1 ILE 71 0.125 1.133 -10.011 542 HG13 ILE 71 1HG1 ILE 71 0.423 2.680 -9.224 543 HG21 ILE 71 1HG2 ILE 71 -2.531 0.450 -8.872 544 HG22 ILE 71 2HG2 ILE 71 -2.178 0.450 -10.599 545 HG23 ILE 71 3HG2 ILE 71 -3.555 1.365 -9.978 546 HD11 ILE 71 1HD1 ILE 71 -0.710 0.211 -7.921 547 HD12 ILE 71 2HD1 ILE 71 -0.464 1.768 -7.127 548 HD13 ILE 71 3HD1 ILE 71 0.924 0.851 -7.723 549 H ILE 72 H ILE 72 0.556 3.491 -11.926 550 HA ILE 72 HA ILE 72 1.824 5.407 -10.335 551 HB ILE 72 HB ILE 72 2.684 3.825 -12.131 552 HG12 ILE 72 2HG1 ILE 72 3.835 5.896 -10.820 553 HG13 ILE 72 1HG1 ILE 72 4.713 4.806 -11.885 554 HG21 ILE 72 1HG2 ILE 72 1.404 4.588 -14.015 555 HG22 ILE 72 2HG2 ILE 72 3.125 4.822 -14.333 556 HG23 ILE 72 3HG2 ILE 72 2.117 6.196 -13.882 557 HD11 ILE 72 1HD1 ILE 72 3.592 7.497 -12.612 558 HD12 ILE 72 2HD1 ILE 72 4.398 6.396 -13.730 559 HD13 ILE 72 3HD1 ILE 72 5.291 7.085 -12.371 560 H ASN 73 H ASN 73 -0.617 5.822 -12.737 561 HA ASN 73 HA ASN 73 -0.022 8.690 -12.877 562 HB2 ASN 73 2HB ASN 73 -1.428 8.757 -14.881 563 HB3 ASN 73 1HB ASN 73 -0.142 7.567 -15.059 564 HD21 ASN 73 1HD2 ASN 73 -0.678 5.347 -14.741 565 HD22 ASN 73 2HD2 ASN 73 -2.271 4.790 -15.105 566 H GLY 74 H GLY 74 -1.532 6.916 -10.835 567 HA2 GLY 74 2HA GLY 74 -3.986 8.611 -10.855 568 HA3 GLY 74 1HA GLY 74 -3.992 6.944 -10.313 569 H LYS 75 H LYS 75 -1.367 9.102 -9.444 570 HA LYS 75 HA LYS 75 -0.594 9.794 -7.411 571 HB2 LYS 75 2HB LYS 75 -2.827 11.137 -7.750 572 HB3 LYS 75 1HB LYS 75 -3.383 10.160 -6.404 573 HG2 LYS 75 2HG LYS 75 -2.579 11.920 -5.227 574 HG3 LYS 75 1HG LYS 75 -1.072 11.018 -5.375 575 HD2 LYS 75 2HD LYS 75 -0.669 12.357 -7.510 576 HD3 LYS 75 1HD LYS 75 -1.990 13.396 -6.971 577 HE2 LYS 75 2HE LYS 75 -0.711 13.669 -4.799 578 HE3 LYS 75 1HE LYS 75 0.652 12.901 -5.614 579 HZ1 LYS 75 1HZ LYS 75 0.717 15.356 -5.656 580 HZ2 LYS 75 2HZ LYS 75 -0.705 15.358 -6.583 581 HZ3 LYS 75 3HZ LYS 75 0.718 14.671 -7.209 582 H CYS 76 H CYS 76 0.339 8.196 -6.369 583 HA CYS 76 HA CYS 76 -1.396 6.181 -5.110 584 HB2 CYS 76 2HB CYS 76 1.413 6.071 -6.150 585 HB3 CYS 76 1HB CYS 76 0.860 4.900 -4.957 586 HG CYS 76 HG CYS 76 -0.913 3.633 -6.510 587 H PHE 77 H PHE 77 -0.318 5.143 -3.161 588 HA PHE 77 HA PHE 77 1.055 7.090 -1.486 589 HB2 PHE 77 2HB PHE 77 -1.534 5.724 -0.719 590 HB3 PHE 77 1HB PHE 77 -0.513 6.645 0.384 591 HD1 PHE 77 1HD PHE 77 -0.088 9.086 -0.146 592 HD2 PHE 77 2HD PHE 77 -3.142 6.801 -2.033 593 HE1 PHE 77 1HE PHE 77 -1.219 11.163 -0.818 594 HE2 PHE 77 2HE PHE 77 -4.279 8.874 -2.703 595 HZ PHE 77 HZ PHE 77 -3.309 11.055 -2.118 596 H PHE 78 H PHE 78 2.791 6.122 -0.815 597 HA PHE 78 HA PHE 78 2.912 3.227 -0.613 598 HB2 PHE 78 2HB PHE 78 4.828 4.678 -1.460 599 HB3 PHE 78 1HB PHE 78 5.052 5.198 0.206 600 HD1 PHE 78 1HD PHE 78 6.683 4.106 1.402 601 HD2 PHE 78 2HD PHE 78 4.650 2.005 -1.690 602 HE1 PHE 78 1HE PHE 78 8.115 2.147 1.793 603 HE2 PHE 78 2HE PHE 78 6.078 0.040 -1.300 604 HZ PHE 78 HZ PHE 78 7.811 0.110 0.441 605 H ILE 79 H ILE 79 1.705 2.577 1.009 606 HA ILE 79 HA ILE 79 1.968 3.898 3.623 607 HB ILE 79 HB ILE 79 -0.083 2.933 4.264 608 HG12 ILE 79 2HG1 ILE 79 0.385 1.176 1.889 609 HG13 ILE 79 1HG1 ILE 79 -0.015 0.732 3.543 610 HG21 ILE 79 1HG2 ILE 79 -1.660 3.748 2.581 611 HG22 ILE 79 2HG2 ILE 79 -0.347 3.849 1.405 612 HG23 ILE 79 3HG2 ILE 79 -0.332 4.881 2.837 613 HD11 ILE 79 1HD1 ILE 79 -1.874 1.937 1.518 614 HD12 ILE 79 2HD1 ILE 79 -2.289 1.569 3.194 615 HD13 ILE 79 3HD1 ILE 79 -1.861 0.265 2.082 616 H HIS 80 H HIS 80 1.696 2.552 5.391 617 HA HIS 80 HA HIS 80 2.868 -0.100 5.149 618 HB2 HIS 80 2HB HIS 80 4.709 1.135 5.843 619 HB3 HIS 80 1HB HIS 80 3.732 2.283 6.741 620 HD1 HIS 80 1HD HIS 80 5.736 -0.756 7.093 621 HD2 HIS 80 2HD HIS 80 2.883 1.334 9.266 622 HE1 HIS 80 1HE HIS 80 5.941 -1.606 9.466 623 HE2 HIS 80 2HE HIS 80 4.013 -0.531 10.689 624 H TYR 81 H TYR 81 1.125 -1.270 5.616 625 HA TYR 81 HA TYR 81 -1.198 -0.569 6.844 626 HB2 TYR 81 2HB TYR 81 0.179 -3.256 6.824 627 HB3 TYR 81 1HB TYR 81 -1.484 -3.021 7.357 628 HD1 TYR 81 1HD TYR 81 0.734 -2.389 4.423 629 HD2 TYR 81 2HD TYR 81 -3.200 -3.218 5.792 630 HE1 TYR 81 1HE TYR 81 -0.018 -2.616 2.097 631 HE2 TYR 81 2HE TYR 81 -3.966 -3.444 3.466 632 HH TYR 81 HH TYR 81 -1.708 -3.409 0.768 633 H GLN 82 H GLN 82 -1.644 0.194 8.756 634 HA GLN 82 HA GLN 82 0.091 0.327 10.934 635 HB2 GLN 82 2HB GLN 82 -2.833 0.752 10.559 636 HB3 GLN 82 1HB GLN 82 -2.222 0.643 12.202 637 HG2 GLN 82 2HG GLN 82 -0.469 2.402 11.164 638 HG3 GLN 82 1HG GLN 82 -1.891 2.763 10.188 639 HE21 GLN 82 1HE2 GLN 82 -3.718 3.602 11.170 640 HE22 GLN 82 2HE2 GLN 82 -3.688 4.257 12.768 641 H GLY 83 H GLY 83 0.810 -1.175 12.240 642 HA2 GLY 83 2HA GLY 83 0.300 -2.778 13.985 643 HA3 GLY 83 1HA GLY 83 -0.993 -3.399 12.968 644 H TRP 84 H TRP 84 0.984 -3.047 10.656 645 HA TRP 84 HA TRP 84 2.254 -5.673 10.998 646 HB2 TRP 84 2HB TRP 84 1.426 -4.069 8.592 647 HB3 TRP 84 1HB TRP 84 2.568 -5.400 8.447 648 HD1 TRP 84 HD TRP 84 -1.021 -4.733 8.250 649 HE1 TRP 84 1HE TRP 84 -2.373 -6.918 8.369 650 HE3 TRP 84 3HE TRP 84 2.654 -7.871 9.920 651 HZ2 TRP 84 2HZ TRP 84 -1.942 -9.617 9.081 652 HZ3 TRP 84 3HZ TRP 84 2.096 -10.242 10.291 653 HH2 TRP 84 HH TRP 84 -0.154 -11.091 9.880 654 H LYS 85 H LYS 85 4.388 -5.891 9.735 655 HA LYS 85 HA LYS 85 6.120 -3.744 10.646 656 HB2 LYS 85 2HB LYS 85 7.974 -5.284 10.121 657 HB3 LYS 85 1HB LYS 85 6.808 -5.995 11.225 658 HG2 LYS 85 2HG LYS 85 5.961 -7.429 9.578 659 HG3 LYS 85 1HG LYS 85 6.728 -6.518 8.273 660 HD2 LYS 85 2HD LYS 85 8.315 -8.102 8.392 661 HD3 LYS 85 1HD LYS 85 8.880 -7.196 9.797 662 HE2 LYS 85 2HE LYS 85 6.927 -9.492 9.893 663 HE3 LYS 85 1HE LYS 85 8.658 -9.634 10.211 664 HZ1 LYS 85 1HZ LYS 85 7.525 -9.458 12.278 665 HZ2 LYS 85 2HZ LYS 85 6.658 -8.094 11.775 666 HZ3 LYS 85 3HZ LYS 85 8.334 -7.985 12.028 667 H SER 86 H SER 86 8.192 -3.680 8.983 668 HA SER 86 HA SER 86 7.308 -2.055 6.876 669 HB2 SER 86 2HB SER 86 9.931 -2.898 6.312 670 HB3 SER 86 1HB SER 86 9.438 -1.431 7.163 671 HG SER 86 HG SER 86 10.837 -2.680 8.458 672 H SER 87 H SER 87 7.653 -5.473 7.039 673 HA SER 87 HA SER 87 8.186 -5.978 4.300 674 HB2 SER 87 2HB SER 87 6.815 -7.817 6.268 675 HB3 SER 87 1HB SER 87 7.717 -8.278 4.821 676 HG SER 87 HG SER 87 9.400 -8.326 6.062 677 H TRP 88 H TRP 88 5.519 -4.593 5.654 678 HA TRP 88 HA TRP 88 3.736 -5.749 3.622 679 HB2 TRP 88 2HB TRP 88 3.196 -4.759 6.391 680 HB3 TRP 88 1HB TRP 88 1.920 -4.684 5.178 681 HD1 TRP 88 HD TRP 88 4.213 -7.294 6.877 682 HE1 TRP 88 1HE TRP 88 2.996 -9.564 6.857 683 HE3 TRP 88 3HE TRP 88 0.089 -5.975 4.153 684 HZ2 TRP 88 2HZ TRP 88 0.606 -10.642 5.830 685 HZ3 TRP 88 3HZ TRP 88 -1.615 -7.691 3.698 686 HH2 TRP 88 HH TRP 88 -1.361 -9.976 4.520 687 H ASP 89 H ASP 89 5.657 -3.217 3.929 688 HA ASP 89 HA ASP 89 4.028 -0.967 3.439 689 HB2 ASP 89 2HB ASP 89 6.885 -1.649 2.734 690 HB3 ASP 89 1HB ASP 89 6.167 -0.117 2.252 691 H GLU 90 H GLU 90 2.790 -0.506 1.698 692 HA GLU 90 HA GLU 90 3.477 -1.684 -0.895 693 HB2 GLU 90 2HB GLU 90 1.893 -3.171 0.443 694 HB3 GLU 90 1HB GLU 90 0.694 -1.905 0.248 695 HG2 GLU 90 2HG GLU 90 0.678 -2.187 -2.120 696 HG3 GLU 90 1HG GLU 90 2.049 -3.296 -2.045 697 H TRP 91 H TRP 91 2.365 -0.762 -2.690 698 HA TRP 91 HA TRP 91 1.809 2.076 -2.345 699 HB2 TRP 91 2HB TRP 91 2.319 0.296 -4.713 700 HB3 TRP 91 1HB TRP 91 1.651 1.906 -4.927 701 HD1 TRP 91 HD TRP 91 4.849 0.109 -4.727 702 HE1 TRP 91 1HE TRP 91 6.803 1.762 -4.621 703 HE3 TRP 91 3HE TRP 91 2.242 4.391 -3.701 704 HZ2 TRP 91 2HZ TRP 91 7.189 4.528 -4.191 705 HZ3 TRP 91 3HZ TRP 91 3.499 6.497 -3.453 706 HH2 TRP 91 HH TRP 91 5.922 6.556 -3.685 707 H VAL 92 H VAL 92 -0.278 2.618 -1.913 708 HA VAL 92 HA VAL 92 -2.369 1.094 -3.313 709 HB VAL 92 HB VAL 92 -3.985 2.182 -1.733 710 HG11 VAL 92 1HG1 VAL 92 -3.220 -0.106 -1.391 711 HG12 VAL 92 2HG1 VAL 92 -3.437 0.712 0.155 712 HG13 VAL 92 3HG1 VAL 92 -1.819 0.481 -0.500 713 HG21 VAL 92 1HG2 VAL 92 -2.646 4.102 -1.084 714 HG22 VAL 92 2HG2 VAL 92 -1.459 3.041 -0.325 715 HG23 VAL 92 3HG2 VAL 92 -3.088 3.153 0.336 716 H GLY 93 H GLY 93 -4.249 2.418 -4.077 717 HA2 GLY 93 2HA GLY 93 -3.309 5.057 -5.009 718 HA3 GLY 93 1HA GLY 93 -4.165 3.946 -6.071 719 H TYR 94 H TYR 94 -5.026 6.545 -5.579 720 HA TYR 94 HA TYR 94 -6.856 7.075 -3.613 721 HB2 TYR 94 2HB TYR 94 -6.443 7.931 -6.384 722 HB3 TYR 94 1HB TYR 94 -8.074 8.187 -5.778 723 HD1 TYR 94 1HD TYR 94 -5.196 9.821 -6.312 724 HD2 TYR 94 2HD TYR 94 -7.871 9.014 -3.120 725 HE1 TYR 94 1HE TYR 94 -4.430 11.843 -5.178 726 HE2 TYR 94 2HE TYR 94 -7.129 11.033 -1.969 727 HH TYR 94 HH TYR 94 -4.994 13.348 -3.490 728 H ASP 95 H ASP 95 -7.136 4.656 -5.845 729 HA ASP 95 HA ASP 95 -10.066 4.596 -5.860 730 HB2 ASP 95 2HB ASP 95 -8.992 4.247 -8.014 731 HB3 ASP 95 1HB ASP 95 -8.027 2.930 -7.355 732 H ARG 96 H ARG 96 -7.365 3.141 -4.326 733 HA ARG 96 HA ARG 96 -9.118 1.045 -3.217 734 HB2 ARG 96 2HB ARG 96 -6.199 0.985 -3.937 735 HB3 ARG 96 1HB ARG 96 -6.864 -0.143 -2.763 736 HG2 ARG 96 2HG ARG 96 -8.050 -1.293 -4.328 737 HG3 ARG 96 1HG ARG 96 -8.232 0.107 -5.384 738 HD2 ARG 96 2HD ARG 96 -5.803 -0.067 -5.917 739 HD3 ARG 96 1HD ARG 96 -5.757 -1.567 -4.991 740 HE ARG 96 HE ARG 96 -7.108 -2.606 -6.622 741 HH11 ARG 96 1HH1 ARG 96 -6.203 0.668 -7.495 742 HH12 ARG 96 2HH1 ARG 96 -6.626 0.476 -9.170 743 HH21 ARG 96 1HH2 ARG 96 -7.698 -2.839 -8.804 744 HH22 ARG 96 2HH2 ARG 96 -7.508 -1.510 -9.901 745 H ILE 97 H ILE 97 -7.574 3.882 -2.611 746 HA ILE 97 HA ILE 97 -7.250 3.261 0.234 747 HB ILE 97 HB ILE 97 -5.211 4.122 -0.892 748 HG12 ILE 97 2HG1 ILE 97 -6.479 5.894 1.176 749 HG13 ILE 97 1HG1 ILE 97 -5.482 4.473 1.467 750 HG21 ILE 97 1HG2 ILE 97 -5.098 6.482 -1.511 751 HG22 ILE 97 2HG2 ILE 97 -6.835 6.626 -1.246 752 HG23 ILE 97 3HG2 ILE 97 -6.223 5.582 -2.529 753 HD11 ILE 97 1HD1 ILE 97 -3.573 5.642 0.458 754 HD12 ILE 97 2HD1 ILE 97 -4.213 6.479 1.876 755 HD13 ILE 97 3HD1 ILE 97 -4.589 7.072 0.256 756 H ARG 98 H ARG 98 -8.519 4.242 1.675 757 HA ARG 98 HA ARG 98 -10.310 6.366 0.704 758 HB2 ARG 98 2HB ARG 98 -11.097 4.471 2.895 759 HB3 ARG 98 1HB ARG 98 -12.125 5.458 1.867 760 HG2 ARG 98 2HG ARG 98 -10.572 3.029 0.984 761 HG3 ARG 98 1HG ARG 98 -12.298 3.074 1.340 762 HD2 ARG 98 2HD ARG 98 -11.052 4.841 -0.752 763 HD3 ARG 98 1HD ARG 98 -11.583 3.200 -1.114 764 HE ARG 98 HE ARG 98 -13.628 4.758 0.144 765 HH11 ARG 98 1HH1 ARG 98 -12.076 4.078 -2.921 766 HH12 ARG 98 2HH1 ARG 98 -13.449 4.546 -3.865 767 HH21 ARG 98 1HH2 ARG 98 -15.439 5.365 -1.090 768 HH22 ARG 98 2HH2 ARG 98 -15.364 5.284 -2.830 769 H ALA 99 H ALA 99 -11.429 7.206 3.032 770 HA ALA 99 HA ALA 99 -9.121 8.365 4.374 771 HB1 ALA 99 1HB ALA 99 -12.001 9.293 4.357 772 HB2 ALA 99 2HB ALA 99 -10.712 9.964 3.360 773 HB3 ALA 99 3HB ALA 99 -10.642 10.120 5.115 774 H TYR 100 H TYR 100 -8.682 7.659 6.278 775 HA TYR 100 HA TYR 100 -10.352 5.770 7.606 776 HB2 TYR 100 2HB TYR 100 -7.979 5.550 7.664 777 HB3 TYR 100 1HB TYR 100 -7.788 7.184 8.257 778 HD1 TYR 100 1HD TYR 100 -8.464 3.720 9.107 779 HD2 TYR 100 2HD TYR 100 -8.244 7.672 10.666 780 HE1 TYR 100 1HE TYR 100 -8.344 2.806 11.386 781 HE2 TYR 100 2HE TYR 100 -8.135 6.768 12.950 782 HH TYR 100 HH TYR 100 -8.810 4.671 14.144 783 H ASN 101 H ASN 101 -12.244 6.703 8.157 784 HA ASN 101 HA ASN 101 -12.226 8.458 10.442 785 HB2 ASN 101 2HB ASN 101 -13.899 10.014 9.424 786 HB3 ASN 101 1HB ASN 101 -12.293 10.139 8.717 787 HD21 ASN 101 1HD2 ASN 101 -12.477 10.575 6.659 788 HD22 ASN 101 2HD2 ASN 101 -13.577 9.831 5.552 789 H GLU 102 H GLU 102 -14.673 8.866 11.000 790 HA GLU 102 HA GLU 102 -15.690 6.425 11.835 791 HB2 GLU 102 2HB GLU 102 -17.599 8.671 11.371 792 HB3 GLU 102 1HB GLU 102 -17.488 7.567 12.731 793 HG2 GLU 102 2HG GLU 102 -16.766 9.531 13.658 794 HG3 GLU 102 1HG GLU 102 -15.240 8.779 13.188 795 H GLU 103 H GLU 103 -16.690 8.296 8.994 796 HA GLU 103 HA GLU 103 -18.893 6.670 8.344 797 HB2 GLU 103 2HB GLU 103 -18.503 8.997 7.532 798 HB3 GLU 103 1HB GLU 103 -17.281 8.351 6.439 799 HG2 GLU 103 2HG GLU 103 -18.832 7.265 5.126 800 HG3 GLU 103 1HG GLU 103 -20.036 7.210 6.411 801 H ASN 104 H ASN 104 -15.495 6.454 7.341 802 HA ASN 104 HA ASN 104 -16.192 4.412 5.393 803 HB2 ASN 104 2HB ASN 104 -14.422 6.110 4.925 804 HB3 ASN 104 1HB ASN 104 -13.437 5.362 6.178 805 HD21 ASN 104 1HD2 ASN 104 -14.936 4.864 3.047 806 HD22 ASN 104 2HD2 ASN 104 -13.910 3.562 2.560 807 H ILE 105 H ILE 105 -14.736 4.659 8.548 808 HA ILE 105 HA ILE 105 -13.813 1.966 8.663 809 HB ILE 105 HB ILE 105 -14.427 3.852 10.889 810 HG12 ILE 105 2HG1 ILE 105 -11.830 3.275 9.457 811 HG13 ILE 105 1HG1 ILE 105 -12.783 4.749 9.286 812 HG21 ILE 105 1HG2 ILE 105 -12.709 1.385 10.833 813 HG22 ILE 105 2HG2 ILE 105 -14.296 1.513 11.594 814 HG23 ILE 105 3HG2 ILE 105 -12.939 2.456 12.217 815 HD11 ILE 105 1HD1 ILE 105 -10.923 5.082 10.772 816 HD12 ILE 105 2HD1 ILE 105 -11.479 3.756 11.792 817 HD13 ILE 105 3HD1 ILE 105 -12.448 5.222 11.644 818 H ALA 106 H ALA 106 -16.784 3.648 9.393 819 HA ALA 106 HA ALA 106 -18.028 1.772 11.048 820 HB1 ALA 106 1HB ALA 106 -19.280 3.620 9.017 821 HB2 ALA 106 2HB ALA 106 -18.958 3.992 10.710 822 HB3 ALA 106 3HB ALA 106 -20.151 2.763 10.288 823 H MET 107 H MET 107 -17.564 1.943 7.600 824 HA MET 107 HA MET 107 -19.311 -0.253 7.030 825 HB2 MET 107 2HB MET 107 -18.497 1.594 5.382 826 HB3 MET 107 1HB MET 107 -17.074 0.576 5.212 827 HG2 MET 107 2HG MET 107 -18.870 0.255 3.502 828 HG3 MET 107 1HG MET 107 -18.316 -1.197 4.334 829 HE1 MET 107 1HE MET 107 -20.391 -2.568 3.538 830 HE2 MET 107 2HE MET 107 -20.994 -1.172 2.649 831 HE3 MET 107 3HE MET 107 -22.064 -2.047 3.743 832 H LYS 108 H LYS 108 -15.803 0.210 7.343 833 HA LYS 108 HA LYS 108 -14.877 -2.297 6.709 834 HB2 LYS 108 2HB LYS 108 -13.427 -0.388 7.104 835 HB3 LYS 108 1HB LYS 108 -13.871 -0.363 8.803 836 HG2 LYS 108 2HG LYS 108 -12.856 -2.947 8.064 837 HG3 LYS 108 1HG LYS 108 -11.710 -1.674 7.633 838 HD2 LYS 108 2HD LYS 108 -12.718 -1.022 10.176 839 HD3 LYS 108 1HD LYS 108 -12.346 -2.744 10.214 840 HE2 LYS 108 2HE LYS 108 -10.417 -0.695 9.163 841 HE3 LYS 108 1HE LYS 108 -10.474 -1.158 10.863 842 HZ1 LYS 108 1HZ LYS 108 -8.811 -2.456 9.793 843 HZ2 LYS 108 2HZ LYS 108 -9.873 -2.914 8.547 844 HZ3 LYS 108 3HZ LYS 108 -10.115 -3.491 10.126 845 H LYS 109 H LYS 109 -16.096 -1.166 9.834 846 HA LYS 109 HA LYS 109 -15.578 -3.538 11.299 847 HB2 LYS 109 2HB LYS 109 -17.927 -1.704 11.793 848 HB3 LYS 109 1HB LYS 109 -17.087 -2.707 12.962 849 HG2 LYS 109 2HG LYS 109 -15.898 -0.318 11.571 850 HG3 LYS 109 1HG LYS 109 -16.583 -0.311 13.194 851 HD2 LYS 109 2HD LYS 109 -14.851 -2.321 13.490 852 HD3 LYS 109 1HD LYS 109 -14.018 -1.430 12.212 853 HE2 LYS 109 2HE LYS 109 -14.212 0.628 13.607 854 HE3 LYS 109 1HE LYS 109 -14.880 -0.368 14.901 855 HZ1 LYS 109 1HZ LYS 109 -12.558 -0.020 15.272 856 HZ2 LYS 109 2HZ LYS 109 -12.155 -0.592 13.727 857 HZ3 LYS 109 3HZ LYS 109 -12.797 -1.655 14.887 858 H ARG 110 H ARG 110 -18.510 -2.430 9.662 859 HA ARG 110 HA ARG 110 -19.994 -4.818 10.086 860 HB2 ARG 110 2HB ARG 110 -20.916 -2.538 9.521 861 HB3 ARG 110 1HB ARG 110 -20.312 -2.756 7.893 862 HG2 ARG 110 2HG ARG 110 -21.769 -4.745 7.666 863 HG3 ARG 110 1HG ARG 110 -22.449 -4.368 9.255 864 HD2 ARG 110 2HD ARG 110 -22.725 -1.974 8.102 865 HD3 ARG 110 1HD ARG 110 -22.787 -2.979 6.656 866 HE ARG 110 HE ARG 110 -24.538 -4.186 8.343 867 HH11 ARG 110 1HH1 ARG 110 -24.170 -0.920 7.124 868 HH12 ARG 110 2HH1 ARG 110 -25.869 -0.562 7.213 869 HH21 ARG 110 1HH2 ARG 110 -26.760 -3.714 8.494 870 HH22 ARG 110 2HH2 ARG 110 -27.343 -2.140 8.039 871 H LEU 111 H LEU 111 -17.773 -3.678 7.738 872 HA LEU 111 HA LEU 111 -18.201 -5.516 5.664 873 HB2 LEU 111 2HB LEU 111 -16.161 -3.550 6.449 874 HB3 LEU 111 1HB LEU 111 -15.625 -4.786 5.354 875 HG LEU 111 HG LEU 111 -17.980 -3.050 4.900 876 HD11 LEU 111 1HD1 LEU 111 -16.006 -1.669 4.910 877 HD12 LEU 111 2HD1 LEU 111 -16.558 -1.874 3.249 878 HD13 LEU 111 3HD1 LEU 111 -15.185 -2.803 3.840 879 HD21 LEU 111 1HD2 LEU 111 -18.170 -5.094 3.697 880 HD22 LEU 111 2HD2 LEU 111 -16.543 -4.882 3.044 881 HD23 LEU 111 3HD2 LEU 111 -17.834 -3.766 2.586 882 H ALA 112 H ALA 112 -15.891 -5.526 8.376 883 HA ALA 112 HA ALA 112 -14.732 -7.951 7.433 884 HB1 ALA 112 1HB ALA 112 -13.428 -6.415 8.827 885 HB2 ALA 112 2HB ALA 112 -13.537 -8.001 9.587 886 HB3 ALA 112 3HB ALA 112 -14.539 -6.674 10.170 887 H ASN 113 H ASN 113 -17.612 -7.219 8.909 888 HA ASN 113 HA ASN 113 -17.843 -9.871 10.105 889 HB2 ASN 113 2HB ASN 113 -19.266 -7.291 10.446 890 HB3 ASN 113 1HB ASN 113 -20.190 -8.764 10.714 891 HD21 ASN 113 1HD2 ASN 113 -17.575 -6.780 11.811 892 HD22 ASN 113 2HD2 ASN 113 -17.351 -7.561 13.339 893 H GLU 114 H GLU 114 -19.073 -7.884 7.495 894 HA GLU 114 HA GLU 114 -20.973 -9.947 6.703 895 HB2 GLU 114 2HB GLU 114 -20.584 -7.087 5.880 896 HB3 GLU 114 1HB GLU 114 -21.556 -8.187 4.912 897 HG2 GLU 114 2HG GLU 114 -22.803 -8.675 7.111 898 HG3 GLU 114 1HG GLU 114 -22.053 -7.192 7.688 899 H ALA 115 H ALA 115 -17.974 -8.397 5.557 900 HA ALA 115 HA ALA 115 -18.100 -9.800 3.011 901 HB1 ALA 115 1HB ALA 115 -15.849 -8.901 2.656 902 HB2 ALA 115 2HB ALA 115 -15.797 -8.348 4.332 903 HB3 ALA 115 3HB ALA 115 -16.949 -7.633 3.204 904 H LYS 116 H LYS 116 -17.771 -10.770 6.019 905 HA LYS 116 HA LYS 116 -15.774 -12.836 5.465 906 HB2 LYS 116 2HB LYS 116 -14.994 -12.574 7.568 907 HB3 LYS 116 1HB LYS 116 -15.807 -11.023 7.487 908 HG2 LYS 116 2HG LYS 116 -17.536 -11.688 8.846 909 HG3 LYS 116 1HG LYS 116 -17.312 -13.399 8.478 910 HD2 LYS 116 2HD LYS 116 -15.006 -13.069 9.654 911 HD3 LYS 116 1HD LYS 116 -15.778 -11.651 10.359 912 HE2 LYS 116 2HE LYS 116 -16.136 -13.357 11.919 913 HE3 LYS 116 1HE LYS 116 -17.662 -13.235 11.043 914 HZ1 LYS 116 1HZ LYS 116 -15.717 -15.119 9.975 915 HZ2 LYS 116 2HZ LYS 116 -17.402 -15.259 10.121 916 HZ3 LYS 116 3HZ LYS 116 -16.407 -15.533 11.466 917 H GLU 117 H GLU 117 -19.027 -12.345 5.458 918 HA GLU 117 HA GLU 117 -19.525 -15.067 6.437 919 HB2 GLU 117 2HB GLU 117 -21.838 -14.378 6.944 920 HB3 GLU 117 1HB GLU 117 -20.631 -13.532 7.896 921 HG2 GLU 117 2HG GLU 117 -21.297 -11.546 7.159 922 HG3 GLU 117 1HG GLU 117 -21.339 -12.087 5.479 923 H ALA 118 H ALA 118 -19.719 -16.391 4.877 924 HA ALA 118 HA ALA 118 -21.605 -15.862 2.695 925 HB1 ALA 118 1HB ALA 118 -20.068 -16.885 1.062 926 HB2 ALA 118 2HB ALA 118 -18.816 -16.958 2.302 927 HB3 ALA 118 3HB ALA 118 -19.409 -15.395 1.740 928 H LYS 119 H LYS 119 -22.843 -17.652 2.224 929 HA LYS 119 HA LYS 119 -22.108 -20.144 3.600 930 HB2 LYS 119 2HB LYS 119 -24.695 -20.397 3.848 931 HB3 LYS 119 1HB LYS 119 -23.790 -19.427 5.004 932 HG2 LYS 119 2HG LYS 119 -24.541 -17.411 4.063 933 HG3 LYS 119 1HG LYS 119 -25.092 -18.211 2.590 934 HD2 LYS 119 2HD LYS 119 -26.858 -19.328 3.833 935 HD3 LYS 119 1HD LYS 119 -26.277 -18.606 5.337 936 HE2 LYS 119 2HE LYS 119 -27.105 -16.930 2.986 937 HE3 LYS 119 1HE LYS 119 -28.278 -17.502 4.173 938 HZ1 LYS 119 1HZ LYS 119 -26.243 -16.441 5.664 939 HZ2 LYS 119 2HZ LYS 119 -27.743 -15.724 5.348 940 HZ3 LYS 119 3HZ LYS 119 -26.407 -15.352 4.371 941 H LYS 120 H LYS 120 -21.281 -20.636 1.403 942 HA LYS 120 HA LYS 120 -23.097 -22.331 0.042 943 HB2 LYS 120 2HB LYS 120 -22.901 -19.629 -0.950 944 HB3 LYS 120 1HB LYS 120 -22.242 -20.749 -2.132 945 HG2 LYS 120 2HG LYS 120 -25.018 -20.699 -0.981 946 HG3 LYS 120 1HG LYS 120 -24.528 -20.477 -2.659 947 HD2 LYS 120 2HD LYS 120 -23.855 -23.040 -1.296 948 HD3 LYS 120 1HD LYS 120 -25.519 -22.771 -1.808 949 HE2 LYS 120 2HE LYS 120 -24.534 -23.878 -3.615 950 HE3 LYS 120 1HE LYS 120 -24.518 -22.182 -4.094 951 HZ1 LYS 120 1HZ LYS 120 -22.261 -22.045 -3.876 952 HZ2 LYS 120 2HZ LYS 120 -22.401 -23.666 -4.349 953 HZ3 LYS 120 3HZ LYS 120 -22.166 -23.277 -2.714 Start of MODEL 12 1 H MET 1 1HT MET 1 -16.192 16.839 -6.477 2 HA MET 1 HA MET 1 -14.871 17.908 -4.736 3 HB2 MET 1 2HB MET 1 -17.015 18.573 -3.476 4 HB3 MET 1 1HB MET 1 -17.005 16.937 -2.834 5 HG2 MET 1 2HG MET 1 -15.013 17.294 -1.656 6 HG3 MET 1 1HG MET 1 -14.636 18.755 -2.571 7 HE1 MET 1 1HE MET 1 -15.918 21.065 -2.272 8 HE2 MET 1 2HE MET 1 -17.310 21.266 -1.208 9 HE3 MET 1 3HE MET 1 -17.434 20.240 -2.634 10 H VAL 2 H VAL 2 -13.253 16.525 -4.265 11 HA VAL 2 HA VAL 2 -13.897 13.673 -4.306 12 HB VAL 2 HB VAL 2 -11.105 14.769 -4.449 13 HG11 VAL 2 1HG1 VAL 2 -12.354 12.254 -5.567 14 HG12 VAL 2 2HG1 VAL 2 -11.342 12.360 -4.122 15 HG13 VAL 2 3HG1 VAL 2 -10.658 12.722 -5.707 16 HG21 VAL 2 1HG2 VAL 2 -12.953 14.377 -6.802 17 HG22 VAL 2 2HG2 VAL 2 -11.251 14.839 -6.875 18 HG23 VAL 2 3HG2 VAL 2 -12.434 15.933 -6.155 19 H ASP 3 H ASP 3 -13.478 15.936 -2.101 20 HA ASP 3 HA ASP 3 -12.967 16.026 0.121 21 HB2 ASP 3 2HB ASP 3 -13.488 13.049 -0.087 22 HB3 ASP 3 1HB ASP 3 -13.324 13.922 1.431 23 H LEU 4 H LEU 4 -10.783 15.990 -1.535 24 HA LEU 4 HA LEU 4 -8.822 14.240 -0.233 25 HB2 LEU 4 2HB LEU 4 -7.457 14.483 -2.126 26 HB3 LEU 4 1HB LEU 4 -9.083 14.315 -2.763 27 HG LEU 4 HG LEU 4 -8.562 17.088 -2.369 28 HD11 LEU 4 1HD1 LEU 4 -6.472 15.704 -4.049 29 HD12 LEU 4 2HD1 LEU 4 -6.186 16.457 -2.480 30 HD13 LEU 4 3HD1 LEU 4 -6.687 17.446 -3.855 31 HD21 LEU 4 1HD2 LEU 4 -9.029 17.209 -4.752 32 HD22 LEU 4 2HD2 LEU 4 -10.160 16.122 -3.948 33 HD23 LEU 4 3HD2 LEU 4 -8.826 15.462 -4.895 34 H GLU 5 H GLU 5 -10.060 17.129 0.318 35 HA GLU 5 HA GLU 5 -8.313 19.153 0.179 36 HB2 GLU 5 2HB GLU 5 -9.297 20.142 2.150 37 HB3 GLU 5 1HB GLU 5 -10.524 19.392 1.146 38 HG2 GLU 5 2HG GLU 5 -11.125 17.954 2.737 39 HG3 GLU 5 1HG GLU 5 -9.463 17.666 3.255 40 H GLN 6 H GLN 6 -8.046 16.576 2.656 41 HA GLN 6 HA GLN 6 -5.287 16.734 2.858 42 HB2 GLN 6 2HB GLN 6 -6.425 18.992 4.118 43 HB3 GLN 6 1HB GLN 6 -5.834 17.939 5.399 44 HG2 GLN 6 2HG GLN 6 -4.202 18.853 3.040 45 HG3 GLN 6 1HG GLN 6 -4.180 19.608 4.633 46 HE21 GLN 6 1HE2 GLN 6 -4.363 17.153 6.104 47 HE22 GLN 6 2HE2 GLN 6 -2.828 16.360 5.947 48 H GLU 7 H GLU 7 -6.384 14.520 2.909 49 HA GLU 7 HA GLU 7 -6.201 13.590 5.680 50 HB2 GLU 7 2HB GLU 7 -8.105 11.944 4.992 51 HB3 GLU 7 1HB GLU 7 -8.500 13.566 5.550 52 HG2 GLU 7 2HG GLU 7 -8.047 13.417 2.683 53 HG3 GLU 7 1HG GLU 7 -9.375 12.397 3.237 54 H PHE 8 H PHE 8 -5.121 13.371 2.595 55 HA PHE 8 HA PHE 8 -4.142 10.647 2.963 56 HB2 PHE 8 2HB PHE 8 -4.667 11.585 0.186 57 HB3 PHE 8 1HB PHE 8 -4.681 9.945 0.816 58 HD1 PHE 8 1HD PHE 8 -6.721 9.219 2.178 59 HD2 PHE 8 2HD PHE 8 -6.587 12.765 -0.175 60 HE1 PHE 8 1HE PHE 8 -9.183 9.302 2.149 61 HE2 PHE 8 2HE PHE 8 -9.034 12.854 -0.203 62 HZ PHE 8 HZ PHE 8 -10.331 11.133 0.966 63 H ALA 9 H ALA 9 -2.339 11.843 3.757 64 HA ALA 9 HA ALA 9 -0.613 12.721 1.671 65 HB1 ALA 9 1HB ALA 9 -1.496 14.669 3.795 66 HB2 ALA 9 2HB ALA 9 -1.960 14.717 2.095 67 HB3 ALA 9 3HB ALA 9 -0.277 14.965 2.555 68 H LEU 10 H LEU 10 0.968 14.224 3.453 69 HA LEU 10 HA LEU 10 2.875 12.403 4.201 70 HB2 LEU 10 2HB LEU 10 2.268 15.215 4.907 71 HB3 LEU 10 1HB LEU 10 3.503 14.389 5.829 72 HG LEU 10 HG LEU 10 4.598 13.846 3.574 73 HD11 LEU 10 1HD1 LEU 10 2.750 16.065 2.685 74 HD12 LEU 10 2HD1 LEU 10 2.677 14.384 2.157 75 HD13 LEU 10 3HD1 LEU 10 4.071 15.380 1.741 76 HD21 LEU 10 1HD2 LEU 10 5.686 16.064 3.490 77 HD22 LEU 10 2HD2 LEU 10 5.539 15.444 5.135 78 HD23 LEU 10 3HD2 LEU 10 4.435 16.694 4.565 79 H GLY 11 H GLY 11 2.255 10.643 5.489 80 HA2 GLY 11 2HA GLY 11 2.037 9.569 7.517 81 HA3 GLY 11 1HA GLY 11 2.262 11.125 8.311 82 H GLY 12 H GLY 12 -0.138 10.607 5.895 83 HA2 GLY 12 2HA GLY 12 -2.199 11.343 7.800 84 HA3 GLY 12 1HA GLY 12 -2.405 11.140 6.064 85 H ARG 13 H ARG 13 -3.869 10.110 8.461 86 HA ARG 13 HA ARG 13 -3.451 7.246 8.299 87 HB2 ARG 13 2HB ARG 13 -5.312 7.112 9.918 88 HB3 ARG 13 1HB ARG 13 -4.042 8.198 10.462 89 HG2 ARG 13 2HG ARG 13 -5.429 10.085 9.535 90 HG3 ARG 13 1HG ARG 13 -6.732 8.910 9.340 91 HD2 ARG 13 2HD ARG 13 -6.989 10.133 11.426 92 HD3 ARG 13 1HD ARG 13 -6.655 8.431 11.743 93 HE ARG 13 HE ARG 13 -4.210 9.711 11.789 94 HH11 ARG 13 1HH1 ARG 13 -7.244 9.941 13.559 95 HH12 ARG 13 2HH1 ARG 13 -6.479 10.448 15.038 96 HH21 ARG 13 1HH2 ARG 13 -3.219 10.387 13.704 97 HH22 ARG 13 2HH2 ARG 13 -4.185 10.748 15.110 98 H CYS 14 H CYS 14 -4.440 5.982 6.889 99 HA CYS 14 HA CYS 14 -7.001 6.777 5.752 100 HB2 CYS 14 2HB CYS 14 -4.501 6.245 4.159 101 HB3 CYS 14 1HB CYS 14 -6.115 6.143 3.461 102 HG CYS 14 HG CYS 14 -5.686 9.008 5.069 103 H LEU 15 H LEU 15 -7.963 5.092 4.468 104 HA LEU 15 HA LEU 15 -7.307 2.415 5.495 105 HB2 LEU 15 2HB LEU 15 -9.849 3.665 4.472 106 HB3 LEU 15 1HB LEU 15 -9.661 1.925 4.568 107 HG LEU 15 HG LEU 15 -9.288 3.700 6.965 108 HD11 LEU 15 1HD1 LEU 15 -11.820 2.353 6.040 109 HD12 LEU 15 2HD1 LEU 15 -11.517 4.091 6.059 110 HD13 LEU 15 3HD1 LEU 15 -11.592 3.192 7.574 111 HD21 LEU 15 1HD2 LEU 15 -9.784 1.611 8.167 112 HD22 LEU 15 2HD2 LEU 15 -8.358 1.464 7.143 113 HD23 LEU 15 3HD2 LEU 15 -9.891 0.762 6.626 114 H ALA 16 H ALA 16 -7.386 0.655 3.874 115 HA ALA 16 HA ALA 16 -7.370 1.566 1.118 116 HB1 ALA 16 1HB ALA 16 -5.174 0.731 0.579 117 HB2 ALA 16 2HB ALA 16 -4.913 0.233 2.252 118 HB3 ALA 16 3HB ALA 16 -5.058 1.947 1.855 119 H PHE 17 H PHE 17 -7.900 0.047 -0.313 120 HA PHE 17 HA PHE 17 -9.062 -2.333 0.810 121 HB2 PHE 17 2HB PHE 17 -9.163 -0.962 -1.833 122 HB3 PHE 17 1HB PHE 17 -9.592 -2.667 -1.751 123 HD1 PHE 17 1HD PHE 17 -10.785 0.634 -1.428 124 HD2 PHE 17 2HD PHE 17 -11.292 -3.302 0.103 125 HE1 PHE 17 1HE PHE 17 -13.063 1.216 -0.686 126 HE2 PHE 17 2HE PHE 17 -13.561 -2.732 0.846 127 HZ PHE 17 HZ PHE 17 -14.453 -0.469 0.450 128 H HIS 18 H HIS 18 -7.691 -3.847 1.318 129 HA HIS 18 HA HIS 18 -5.712 -4.705 -0.669 130 HB2 HIS 18 2HB HIS 18 -4.979 -4.171 1.731 131 HB3 HIS 18 1HB HIS 18 -5.863 -5.617 2.210 132 HD2 HIS 18 2HD HIS 18 -4.726 -8.053 1.382 133 HE1 HIS 18 1HE HIS 18 -1.084 -6.283 0.143 134 HE2 HIS 18 2HE HIS 18 -2.223 -8.452 0.805 135 H GLY 19 H GLY 19 -6.714 -6.057 -1.990 136 HA2 GLY 19 2HA GLY 19 -7.747 -7.999 -2.680 137 HA3 GLY 19 1HA GLY 19 -7.700 -8.552 -1.008 138 HA PRO 20 HA PRO 20 -12.052 -7.584 -1.246 139 HB2 PRO 20 2HB PRO 20 -12.831 -9.187 0.760 140 HB3 PRO 20 1HB PRO 20 -12.352 -9.810 -0.820 141 HG2 PRO 20 2HG PRO 20 -10.940 -9.966 1.755 142 HG3 PRO 20 1HG PRO 20 -10.744 -10.965 0.306 143 HD2 PRO 20 2HD PRO 20 -9.129 -8.736 1.175 144 HD3 PRO 20 1HD PRO 20 -8.898 -9.783 -0.240 145 H LEU 21 H LEU 21 -9.992 -6.852 1.481 146 HA LEU 21 HA LEU 21 -12.270 -5.363 2.599 147 HB2 LEU 21 2HB LEU 21 -10.317 -7.113 4.003 148 HB3 LEU 21 1HB LEU 21 -10.988 -5.730 4.847 149 HG LEU 21 HG LEU 21 -12.457 -8.108 3.747 150 HD11 LEU 21 1HD1 LEU 21 -11.531 -8.383 5.973 151 HD12 LEU 21 2HD1 LEU 21 -13.288 -8.241 6.057 152 HD13 LEU 21 3HD1 LEU 21 -12.273 -6.868 6.487 153 HD21 LEU 21 1HD2 LEU 21 -13.740 -6.159 3.123 154 HD22 LEU 21 2HD2 LEU 21 -13.590 -5.504 4.750 155 HD23 LEU 21 3HD2 LEU 21 -14.523 -6.972 4.477 156 H MET 22 H MET 22 -11.698 -3.743 4.148 157 HA MET 22 HA MET 22 -9.647 -1.963 3.117 158 HB2 MET 22 2HB MET 22 -12.271 -1.632 4.189 159 HB3 MET 22 1HB MET 22 -11.162 -0.879 5.326 160 HG2 MET 22 2HG MET 22 -10.215 0.455 3.499 161 HG3 MET 22 1HG MET 22 -11.361 -0.283 2.382 162 HE1 MET 22 1HE MET 22 -14.766 1.155 3.478 163 HE2 MET 22 2HE MET 22 -14.077 -0.418 3.875 164 HE3 MET 22 3HE MET 22 -13.874 0.252 2.256 165 H TYR 23 H TYR 23 -7.775 -1.654 4.180 166 HA TYR 23 HA TYR 23 -7.647 -2.619 6.964 167 HB2 TYR 23 2HB TYR 23 -5.637 -2.829 4.734 168 HB3 TYR 23 1HB TYR 23 -5.164 -2.982 6.422 169 HD1 TYR 23 1HD TYR 23 -6.313 -4.785 7.819 170 HD2 TYR 23 2HD TYR 23 -6.518 -4.676 3.571 171 HE1 TYR 23 1HE TYR 23 -6.968 -7.157 7.798 172 HE2 TYR 23 2HE TYR 23 -7.169 -7.050 3.535 173 HH TYR 23 HH TYR 23 -7.005 -9.028 4.936 174 H GLU 24 H GLU 24 -6.536 -1.411 8.456 175 HA GLU 24 HA GLU 24 -6.430 1.396 7.993 176 HB2 GLU 24 2HB GLU 24 -5.829 -0.430 10.279 177 HB3 GLU 24 1HB GLU 24 -5.216 1.218 10.339 178 HG2 GLU 24 2HG GLU 24 -7.331 2.142 10.397 179 HG3 GLU 24 1HG GLU 24 -8.093 0.703 9.729 180 H ALA 25 H ALA 25 -4.714 2.685 7.512 181 HA ALA 25 HA ALA 25 -2.021 1.655 7.767 182 HB1 ALA 25 1HB ALA 25 -3.113 2.386 5.070 183 HB2 ALA 25 2HB ALA 25 -2.770 0.751 5.627 184 HB3 ALA 25 3HB ALA 25 -1.456 1.909 5.434 185 H LYS 26 H LYS 26 -0.373 3.209 7.324 186 HA LYS 26 HA LYS 26 -1.313 6.009 7.449 187 HB2 LYS 26 2HB LYS 26 -0.189 5.098 9.538 188 HB3 LYS 26 1HB LYS 26 1.282 4.954 8.586 189 HG2 LYS 26 2HG LYS 26 1.327 7.330 8.209 190 HG3 LYS 26 1HG LYS 26 -0.224 7.521 9.027 191 HD2 LYS 26 2HD LYS 26 1.504 8.159 10.560 192 HD3 LYS 26 1HD LYS 26 0.844 6.616 11.101 193 HE2 LYS 26 2HE LYS 26 2.725 5.431 10.334 194 HE3 LYS 26 1HE LYS 26 3.293 6.798 9.373 195 HZ1 LYS 26 1HZ LYS 26 3.693 8.017 11.440 196 HZ2 LYS 26 2HZ LYS 26 4.603 6.587 11.374 197 HZ3 LYS 26 3HZ LYS 26 3.213 6.665 12.342 198 H ILE 27 H ILE 27 -0.742 7.232 5.812 199 HA ILE 27 HA ILE 27 0.855 6.168 3.697 200 HB ILE 27 HB ILE 27 -0.077 9.018 4.017 201 HG12 ILE 27 2HG1 ILE 27 -1.486 6.842 2.474 202 HG13 ILE 27 1HG1 ILE 27 -1.865 7.186 4.160 203 HG21 ILE 27 1HG2 ILE 27 0.075 9.026 1.555 204 HG22 ILE 27 2HG2 ILE 27 0.741 7.393 1.614 205 HG23 ILE 27 3HG2 ILE 27 1.631 8.736 2.329 206 HD11 ILE 27 1HD1 ILE 27 -2.063 9.164 1.905 207 HD12 ILE 27 2HD1 ILE 27 -2.519 9.435 3.588 208 HD13 ILE 27 3HD1 ILE 27 -3.409 8.268 2.610 209 H LEU 28 H LEU 28 2.855 6.001 3.675 210 HA LEU 28 HA LEU 28 4.532 7.677 5.341 211 HB2 LEU 28 2HB LEU 28 4.750 5.226 5.334 212 HB3 LEU 28 1HB LEU 28 5.156 5.275 3.631 213 HG LEU 28 HG LEU 28 7.080 6.766 4.297 214 HD11 LEU 28 1HD1 LEU 28 6.355 7.340 6.530 215 HD12 LEU 28 2HD1 LEU 28 7.885 6.469 6.607 216 HD13 LEU 28 3HD1 LEU 28 6.380 5.641 7.000 217 HD21 LEU 28 1HD2 LEU 28 8.480 4.829 4.927 218 HD22 LEU 28 2HD2 LEU 28 7.402 4.492 3.571 219 HD23 LEU 28 3HD2 LEU 28 7.004 3.894 5.179 220 H LYS 29 H LYS 29 3.920 6.951 1.939 221 HA LYS 29 HA LYS 29 5.403 9.377 1.252 222 HB2 LYS 29 2HB LYS 29 5.845 6.780 -0.256 223 HB3 LYS 29 1HB LYS 29 6.633 8.323 -0.559 224 HG2 LYS 29 2HG LYS 29 7.588 8.135 1.781 225 HG3 LYS 29 1HG LYS 29 7.018 6.468 1.774 226 HD2 LYS 29 2HD LYS 29 8.872 7.634 -0.298 227 HD3 LYS 29 1HD LYS 29 9.412 6.740 1.119 228 HE2 LYS 29 2HE LYS 29 7.749 4.927 0.227 229 HE3 LYS 29 1HE LYS 29 7.964 5.777 -1.301 230 HZ1 LYS 29 1HZ LYS 29 9.520 3.947 -1.070 231 HZ2 LYS 29 2HZ LYS 29 10.140 4.619 0.359 232 HZ3 LYS 29 3HZ LYS 29 10.347 5.425 -1.117 233 H ILE 30 H ILE 30 4.169 10.601 -0.016 234 HA ILE 30 HA ILE 30 1.803 9.528 -1.323 235 HB ILE 30 HB ILE 30 2.882 12.336 -0.976 236 HG12 ILE 30 2HG1 ILE 30 0.719 12.644 0.257 237 HG13 ILE 30 1HG1 ILE 30 0.436 10.916 0.076 238 HG21 ILE 30 1HG2 ILE 30 0.871 13.196 -2.053 239 HG22 ILE 30 2HG2 ILE 30 0.364 11.551 -2.436 240 HG23 ILE 30 3HG2 ILE 30 1.823 12.216 -3.170 241 HD11 ILE 30 1HD1 ILE 30 1.316 11.485 2.267 242 HD12 ILE 30 2HD1 ILE 30 2.762 12.160 1.516 243 HD13 ILE 30 3HD1 ILE 30 2.416 10.433 1.373 244 H TRP 31 H TRP 31 1.399 9.782 -3.628 245 HA TRP 31 HA TRP 31 3.922 10.025 -5.142 246 HB2 TRP 31 2HB TRP 31 3.294 7.729 -5.094 247 HB3 TRP 31 1HB TRP 31 1.629 8.119 -5.532 248 HD1 TRP 31 HD TRP 31 1.102 8.452 -8.079 249 HE1 TRP 31 1HE TRP 31 2.490 8.106 -10.231 250 HE3 TRP 31 3HE TRP 31 5.665 8.055 -5.936 251 HZ2 TRP 31 2HZ TRP 31 5.190 7.714 -10.884 252 HZ3 TRP 31 3HZ TRP 31 7.626 7.703 -7.382 253 HH2 TRP 31 HH TRP 31 7.374 7.532 -9.807 254 H ASP 32 H ASP 32 3.910 11.394 -6.812 255 HA ASP 32 HA ASP 32 1.315 12.289 -7.872 256 HB2 ASP 32 2HB ASP 32 2.760 13.965 -6.461 257 HB3 ASP 32 1HB ASP 32 3.712 14.085 -7.939 258 HA PRO 33 HA PRO 33 3.249 10.355 -11.435 259 HB2 PRO 33 2HB PRO 33 1.011 10.245 -12.929 260 HB3 PRO 33 1HB PRO 33 1.313 9.134 -11.586 261 HG2 PRO 33 2HG PRO 33 -0.362 11.616 -11.651 262 HG3 PRO 33 1HG PRO 33 -0.741 10.032 -10.947 263 HD2 PRO 33 2HD PRO 33 0.124 12.124 -9.460 264 HD3 PRO 33 1HD PRO 33 0.499 10.439 -9.050 265 H SER 34 H SER 34 2.348 13.515 -11.084 266 HA SER 34 HA SER 34 2.122 14.295 -13.826 267 HB2 SER 34 2HB SER 34 2.442 16.604 -12.973 268 HB3 SER 34 1HB SER 34 1.195 15.725 -12.088 269 HG SER 34 HG SER 34 2.421 15.687 -10.337 270 H SER 35 H SER 35 4.733 13.847 -11.590 271 HA SER 35 HA SER 35 6.643 14.542 -13.709 272 HB2 SER 35 2HB SER 35 7.323 14.801 -10.792 273 HB3 SER 35 1HB SER 35 8.064 15.596 -12.181 274 HG SER 35 HG SER 35 5.368 16.121 -11.742 275 H LYS 36 H LYS 36 5.585 12.396 -11.226 276 HA LYS 36 HA LYS 36 5.790 10.152 -11.120 277 HB2 LYS 36 2HB LYS 36 6.738 10.165 -13.478 278 HB3 LYS 36 1HB LYS 36 8.327 10.204 -12.720 279 HG2 LYS 36 2HG LYS 36 7.675 8.175 -11.444 280 HG3 LYS 36 1HG LYS 36 6.213 8.104 -12.425 281 HD2 LYS 36 2HD LYS 36 8.736 8.333 -13.937 282 HD3 LYS 36 1HD LYS 36 8.533 6.826 -13.042 283 HE2 LYS 36 2HE LYS 36 6.158 6.843 -14.125 284 HE3 LYS 36 1HE LYS 36 6.902 7.946 -15.283 285 HZ1 LYS 36 1HZ LYS 36 6.966 5.572 -15.951 286 HZ2 LYS 36 2HZ LYS 36 7.974 5.251 -14.627 287 HZ3 LYS 36 3HZ LYS 36 8.500 6.287 -15.865 288 H MET 37 H MET 37 6.509 12.003 -9.412 289 HA MET 37 HA MET 37 8.743 10.820 -8.011 290 HB2 MET 37 2HB MET 37 8.029 13.454 -7.048 291 HB3 MET 37 1HB MET 37 9.594 12.853 -7.569 292 HG2 MET 37 2HG MET 37 7.598 13.603 -9.630 293 HG3 MET 37 1HG MET 37 8.437 14.876 -8.753 294 HE1 MET 37 1HE MET 37 12.065 14.612 -9.862 295 HE2 MET 37 2HE MET 37 11.256 14.317 -8.321 296 HE3 MET 37 3HE MET 37 10.787 15.699 -9.314 297 H TYR 38 H TYR 38 8.416 11.365 -5.632 298 HA TYR 38 HA TYR 38 5.648 11.132 -4.841 299 HB2 TYR 38 2HB TYR 38 6.117 9.172 -3.415 300 HB3 TYR 38 1HB TYR 38 6.323 8.813 -5.121 301 HD1 TYR 38 1HD TYR 38 8.380 8.021 -5.957 302 HD2 TYR 38 2HD TYR 38 8.126 9.485 -1.977 303 HE1 TYR 38 1HE TYR 38 10.600 7.091 -5.476 304 HE2 TYR 38 2HE TYR 38 10.345 8.573 -1.484 305 HH TYR 38 HH TYR 38 12.448 7.463 -3.923 306 H THR 39 H THR 39 5.459 11.493 -2.450 307 HA THR 39 HA THR 39 7.811 12.976 -1.457 308 HB THR 39 HB THR 39 6.574 14.675 -0.657 309 HG1 THR 39 1HG THR 39 5.055 12.884 0.388 310 HG21 THR 39 1HG2 THR 39 4.832 13.629 -2.869 311 HG22 THR 39 2HG2 THR 39 6.207 14.723 -3.017 312 HG23 THR 39 3HG2 THR 39 4.733 15.258 -2.208 313 H SER 40 H SER 40 8.755 12.033 0.090 314 HA SER 40 HA SER 40 7.462 9.926 1.594 315 HB2 SER 40 2HB SER 40 9.651 9.472 0.631 316 HB3 SER 40 1HB SER 40 10.331 10.868 1.463 317 HG SER 40 HG SER 40 9.675 9.712 3.457 318 H ILE 41 H ILE 41 7.985 9.733 3.959 319 HA ILE 41 HA ILE 41 8.113 12.401 5.192 320 HB ILE 41 HB ILE 41 6.541 11.769 6.884 321 HG12 ILE 41 2HG1 ILE 41 6.069 9.132 5.510 322 HG13 ILE 41 1HG1 ILE 41 7.203 9.300 6.847 323 HG21 ILE 41 1HG2 ILE 41 5.627 12.719 4.899 324 HG22 ILE 41 2HG2 ILE 41 4.513 11.522 5.553 325 HG23 ILE 41 3HG2 ILE 41 5.508 11.126 4.152 326 HD11 ILE 41 1HD1 ILE 41 4.281 9.998 6.983 327 HD12 ILE 41 2HD1 ILE 41 5.430 10.005 8.318 328 HD13 ILE 41 3HD1 ILE 41 4.988 8.482 7.546 329 HA PRO 42 HA PRO 42 11.394 10.620 7.544 330 HB2 PRO 42 2HB PRO 42 11.837 12.677 9.186 331 HB3 PRO 42 1HB PRO 42 12.175 12.788 7.455 332 HG2 PRO 42 2HG PRO 42 9.844 13.839 9.000 333 HG3 PRO 42 1HG PRO 42 10.762 14.610 7.692 334 HD2 PRO 42 2HD PRO 42 8.343 13.322 7.356 335 HD3 PRO 42 1HD PRO 42 9.539 13.566 6.071 336 H ASN 43 H ASN 43 12.027 10.525 9.961 337 HA ASN 43 HA ASN 43 11.626 10.045 12.151 338 HB2 ASN 43 2HB ASN 43 9.558 11.647 11.805 339 HB3 ASN 43 1HB ASN 43 8.652 10.139 11.876 340 HD21 ASN 43 1HD2 ASN 43 8.239 12.073 13.729 341 HD22 ASN 43 2HD2 ASN 43 8.860 11.563 15.265 342 H ASP 44 H ASP 44 9.039 8.652 10.118 343 HA ASP 44 HA ASP 44 8.987 6.192 11.546 344 HB2 ASP 44 2HB ASP 44 7.866 7.101 8.912 345 HB3 ASP 44 1HB ASP 44 7.787 5.406 9.375 346 H LYS 45 H LYS 45 10.640 7.264 8.639 347 HA LYS 45 HA LYS 45 11.715 4.650 8.080 348 HB2 LYS 45 2HB LYS 45 12.930 5.777 6.263 349 HB3 LYS 45 1HB LYS 45 11.213 6.158 6.230 350 HG2 LYS 45 2HG LYS 45 11.759 8.296 7.411 351 HG3 LYS 45 1HG LYS 45 13.466 7.913 7.164 352 HD2 LYS 45 2HD LYS 45 11.382 8.260 5.010 353 HD3 LYS 45 1HD LYS 45 12.654 9.412 5.420 354 HE2 LYS 45 2HE LYS 45 14.259 7.439 4.935 355 HE3 LYS 45 1HE LYS 45 12.878 6.736 4.092 356 HZ1 LYS 45 1HZ LYS 45 12.754 8.919 2.855 357 HZ2 LYS 45 2HZ LYS 45 14.068 7.922 2.472 358 HZ3 LYS 45 3HZ LYS 45 14.290 9.267 3.482 359 HA PRO 46 HA PRO 46 15.277 4.938 10.679 360 HB2 PRO 46 2HB PRO 46 16.648 3.136 8.819 361 HB3 PRO 46 1HB PRO 46 16.123 2.846 10.482 362 HG2 PRO 46 2HG PRO 46 14.914 1.661 8.387 363 HG3 PRO 46 1HG PRO 46 14.016 2.154 9.837 364 HD2 PRO 46 2HD PRO 46 14.237 3.542 7.185 365 HD3 PRO 46 1HD PRO 46 12.799 3.262 8.196 366 H GLY 47 H GLY 47 15.208 7.133 8.973 367 HA2 GLY 47 2HA GLY 47 16.770 8.794 8.494 368 HA3 GLY 47 1HA GLY 47 18.050 7.604 8.658 369 H GLY 48 H GLY 48 18.960 6.797 6.872 370 HA2 GLY 48 2HA GLY 48 18.655 5.968 4.576 371 HA3 GLY 48 1HA GLY 48 17.624 7.367 4.297 372 H SER 49 H SER 49 18.807 8.285 2.650 373 HA SER 49 HA SER 49 21.635 8.833 3.102 374 HB2 SER 49 2HB SER 49 19.904 9.499 0.711 375 HB3 SER 49 1HB SER 49 21.664 9.590 0.788 376 HG SER 49 HG SER 49 20.003 7.295 0.825 377 H SER 50 H SER 50 22.506 10.954 3.127 378 HA SER 50 HA SER 50 20.996 12.844 4.554 379 HB2 SER 50 2HB SER 50 23.321 13.877 3.072 380 HB3 SER 50 1HB SER 50 22.972 13.915 4.799 381 HG SER 50 HG SER 50 24.051 12.123 5.071 382 H GLN 51 H GLN 51 21.302 12.309 1.157 383 HA GLN 51 HA GLN 51 20.500 14.954 0.376 384 HB2 GLN 51 2HB GLN 51 20.415 14.074 -1.883 385 HB3 GLN 51 1HB GLN 51 21.886 13.539 -1.085 386 HG2 GLN 51 2HG GLN 51 20.865 11.350 -0.677 387 HG3 GLN 51 1HG GLN 51 19.397 11.888 -1.494 388 HE21 GLN 51 1HE2 GLN 51 19.522 10.353 -3.107 389 HE22 GLN 51 2HE2 GLN 51 20.712 10.412 -4.368 390 H ALA 52 H ALA 52 18.845 12.471 1.781 391 HA ALA 52 HA ALA 52 16.285 13.490 0.788 392 HB1 ALA 52 1HB ALA 52 16.899 10.550 1.108 393 HB2 ALA 52 2HB ALA 52 16.742 11.402 -0.427 394 HB3 ALA 52 3HB ALA 52 15.349 11.251 0.642 395 H THR 53 H THR 53 14.470 12.472 2.238 396 HA THR 53 HA THR 53 13.487 12.200 4.275 397 HB THR 53 HB THR 53 16.242 11.827 5.456 398 HG1 THR 53 1HG THR 53 15.975 9.627 4.992 399 HG21 THR 53 1HG2 THR 53 13.490 10.939 6.337 400 HG22 THR 53 2HG2 THR 53 14.506 12.154 7.115 401 HG23 THR 53 3HG2 THR 53 15.001 10.461 7.110 402 H LYS 54 H LYS 54 16.503 14.055 4.544 403 HA LYS 54 HA LYS 54 15.829 15.706 6.674 404 HB2 LYS 54 2HB LYS 54 18.083 15.490 5.647 405 HB3 LYS 54 1HB LYS 54 17.512 16.396 4.253 406 HG2 LYS 54 2HG LYS 54 16.959 17.856 6.643 407 HG3 LYS 54 1HG LYS 54 18.661 17.383 6.602 408 HD2 LYS 54 2HD LYS 54 18.908 18.368 4.390 409 HD3 LYS 54 1HD LYS 54 17.187 18.777 4.358 410 HE2 LYS 54 2HE LYS 54 17.532 20.231 6.313 411 HE3 LYS 54 1HE LYS 54 19.254 19.857 6.270 412 HZ1 LYS 54 1HZ LYS 54 18.646 21.992 5.200 413 HZ2 LYS 54 2HZ LYS 54 17.770 21.133 4.025 414 HZ3 LYS 54 3HZ LYS 54 19.450 20.926 4.155 415 H GLU 55 H GLU 55 15.365 16.197 3.217 416 HA GLU 55 HA GLU 55 13.242 18.139 3.800 417 HB2 GLU 55 2HB GLU 55 15.562 18.379 1.925 418 HB3 GLU 55 1HB GLU 55 14.023 19.094 1.468 419 HG2 GLU 55 2HG GLU 55 14.038 20.445 3.486 420 HG3 GLU 55 1HG GLU 55 15.564 19.708 3.974 421 H ILE 56 H ILE 56 11.387 17.178 3.132 422 HA ILE 56 HA ILE 56 11.626 15.199 1.032 423 HB ILE 56 HB ILE 56 9.116 15.863 2.532 424 HG12 ILE 56 2HG1 ILE 56 10.928 15.022 4.015 425 HG13 ILE 56 1HG1 ILE 56 9.596 13.880 3.866 426 HG21 ILE 56 1HG2 ILE 56 9.893 13.560 0.786 427 HG22 ILE 56 2HG2 ILE 56 8.825 14.886 0.329 428 HG23 ILE 56 3HG2 ILE 56 8.352 13.772 1.611 429 HD11 ILE 56 1HD1 ILE 56 12.242 13.729 2.440 430 HD12 ILE 56 2HD1 ILE 56 10.910 12.593 2.243 431 HD13 ILE 56 3HD1 ILE 56 11.725 12.736 3.801 432 H LYS 57 H LYS 57 11.983 16.292 -0.732 433 HA LYS 57 HA LYS 57 9.778 17.932 -1.762 434 HB2 LYS 57 2HB LYS 57 12.704 17.948 -2.124 435 HB3 LYS 57 1HB LYS 57 11.812 18.051 -3.635 436 HG2 LYS 57 2HG LYS 57 11.688 20.237 -3.266 437 HG3 LYS 57 1HG LYS 57 10.514 19.859 -2.007 438 HD2 LYS 57 2HD LYS 57 12.398 19.722 -0.378 439 HD3 LYS 57 1HD LYS 57 13.489 20.258 -1.659 440 HE2 LYS 57 2HE LYS 57 12.129 22.311 -1.905 441 HE3 LYS 57 1HE LYS 57 11.124 21.782 -0.561 442 HZ1 LYS 57 1HZ LYS 57 12.541 22.782 0.792 443 HZ2 LYS 57 2HZ LYS 57 13.571 23.181 -0.493 444 HZ3 LYS 57 3HZ LYS 57 13.768 21.708 0.321 445 HA PRO 58 HA PRO 58 8.383 14.578 -4.249 446 HB2 PRO 58 2HB PRO 58 8.931 16.092 -6.742 447 HB3 PRO 58 1HB PRO 58 7.438 15.328 -6.190 448 HG2 PRO 58 2HG PRO 58 7.757 17.986 -6.107 449 HG3 PRO 58 1HG PRO 58 6.850 17.114 -4.857 450 HD2 PRO 58 2HD PRO 58 9.580 18.295 -4.746 451 HD3 PRO 58 1HD PRO 58 8.366 18.123 -3.462 452 H GLN 59 H GLN 59 9.698 12.890 -4.229 453 HA GLN 59 HA GLN 59 12.266 12.994 -5.658 454 HB2 GLN 59 2HB GLN 59 11.193 11.156 -3.512 455 HB3 GLN 59 1HB GLN 59 12.683 10.826 -4.379 456 HG2 GLN 59 2HG GLN 59 13.845 12.264 -3.144 457 HG3 GLN 59 1HG GLN 59 12.601 13.509 -3.255 458 HE21 GLN 59 1HE2 GLN 59 11.092 13.694 -1.651 459 HE22 GLN 59 2HE2 GLN 59 11.196 12.833 -0.152 460 H LYS 60 H LYS 60 12.441 11.967 -7.540 461 HA LYS 60 HA LYS 60 10.275 10.566 -8.693 462 HB2 LYS 60 2HB LYS 60 11.875 11.990 -9.977 463 HB3 LYS 60 1HB LYS 60 13.119 10.784 -9.687 464 HG2 LYS 60 2HG LYS 60 11.743 9.120 -10.879 465 HG3 LYS 60 1HG LYS 60 10.567 10.389 -11.234 466 HD2 LYS 60 2HD LYS 60 13.467 10.549 -12.033 467 HD3 LYS 60 1HD LYS 60 12.210 9.886 -13.078 468 HE2 LYS 60 2HE LYS 60 11.123 11.950 -13.274 469 HE3 LYS 60 1HE LYS 60 11.973 12.632 -11.884 470 HZ1 LYS 60 1HZ LYS 60 14.005 12.670 -13.130 471 HZ2 LYS 60 2HZ LYS 60 12.806 13.456 -14.039 472 HZ3 LYS 60 3HZ LYS 60 13.281 11.878 -14.447 473 H LEU 61 H LEU 61 10.113 8.407 -9.184 474 HA LEU 61 HA LEU 61 11.083 6.568 -7.348 475 HB2 LEU 61 2HB LEU 61 9.878 6.364 -10.066 476 HB3 LEU 61 1HB LEU 61 10.535 4.915 -9.322 477 HG LEU 61 HG LEU 61 8.303 6.658 -8.271 478 HD11 LEU 61 1HD1 LEU 61 8.388 3.771 -9.150 479 HD12 LEU 61 2HD1 LEU 61 7.711 5.112 -10.073 480 HD13 LEU 61 3HD1 LEU 61 6.979 4.639 -8.542 481 HD21 LEU 61 1HD2 LEU 61 9.712 5.963 -6.431 482 HD22 LEU 61 2HD2 LEU 61 9.660 4.292 -6.987 483 HD23 LEU 61 3HD2 LEU 61 8.189 5.073 -6.409 484 H GLY 62 H GLY 62 13.069 5.862 -7.000 485 HA2 GLY 62 2HA GLY 62 15.114 6.242 -9.025 486 HA3 GLY 62 1HA GLY 62 15.369 5.699 -7.374 487 H GLU 63 H GLU 63 13.061 4.247 -9.556 488 HA GLU 63 HA GLU 63 12.802 2.135 -10.357 489 HB2 GLU 63 2HB GLU 63 15.795 1.954 -10.592 490 HB3 GLU 63 1HB GLU 63 14.567 1.252 -11.643 491 HG2 GLU 63 2HG GLU 63 13.961 3.484 -12.410 492 HG3 GLU 63 1HG GLU 63 15.195 4.174 -11.356 493 H ASP 64 H ASP 64 13.473 2.662 -7.506 494 HA ASP 64 HA ASP 64 14.338 -0.051 -6.719 495 HB2 ASP 64 2HB ASP 64 15.125 0.922 -4.640 496 HB3 ASP 64 1HB ASP 64 15.803 1.852 -5.973 497 H GLU 65 H GLU 65 11.871 2.206 -6.832 498 HA GLU 65 HA GLU 65 10.249 0.730 -4.892 499 HB2 GLU 65 2HB GLU 65 10.648 3.613 -5.383 500 HB3 GLU 65 1HB GLU 65 9.105 3.072 -4.718 501 HG2 GLU 65 2HG GLU 65 11.775 2.410 -3.488 502 HG3 GLU 65 1HG GLU 65 10.811 3.813 -3.028 503 H SER 66 H SER 66 10.625 0.777 -7.894 504 HA SER 66 HA SER 66 8.832 1.699 -9.554 505 HB2 SER 66 2HB SER 66 9.185 -1.291 -9.394 506 HB3 SER 66 1HB SER 66 8.964 -0.294 -10.834 507 HG SER 66 HG SER 66 11.145 -0.794 -10.637 508 H ILE 67 H ILE 67 6.811 2.212 -9.417 509 HA ILE 67 HA ILE 67 4.939 0.790 -7.714 510 HB ILE 67 HB ILE 67 4.660 3.307 -9.359 511 HG12 ILE 67 2HG1 ILE 67 5.092 2.891 -6.402 512 HG13 ILE 67 1HG1 ILE 67 6.277 3.514 -7.550 513 HG21 ILE 67 1HG2 ILE 67 2.646 3.749 -8.018 514 HG22 ILE 67 2HG2 ILE 67 2.782 2.138 -7.318 515 HG23 ILE 67 3HG2 ILE 67 2.482 2.323 -9.044 516 HD11 ILE 67 1HD1 ILE 67 5.275 5.294 -6.253 517 HD12 ILE 67 2HD1 ILE 67 3.673 4.819 -6.821 518 HD13 ILE 67 3HD1 ILE 67 4.866 5.448 -7.961 519 HA PRO 68 HA PRO 68 2.885 -1.621 -10.910 520 HB2 PRO 68 2HB PRO 68 0.453 -0.635 -9.478 521 HB3 PRO 68 1HB PRO 68 0.867 -2.276 -9.987 522 HG2 PRO 68 2HG PRO 68 1.112 -1.547 -7.438 523 HG3 PRO 68 1HG PRO 68 2.299 -2.620 -8.206 524 HD2 PRO 68 2HD PRO 68 2.543 0.251 -7.460 525 HD3 PRO 68 1HD PRO 68 3.795 -1.005 -7.537 526 H GLU 69 H GLU 69 2.509 -0.924 -12.923 527 HA GLU 69 HA GLU 69 2.129 1.793 -13.541 528 HB2 GLU 69 2HB GLU 69 1.797 -0.642 -15.289 529 HB3 GLU 69 1HB GLU 69 1.881 1.016 -15.872 530 HG2 GLU 69 2HG GLU 69 4.118 0.787 -14.287 531 HG3 GLU 69 1HG GLU 69 4.005 -0.788 -15.069 532 H GLU 70 H GLU 70 -0.161 -0.319 -12.413 533 HA GLU 70 HA GLU 70 -2.354 0.778 -13.982 534 HB2 GLU 70 2HB GLU 70 -3.771 -0.768 -12.752 535 HB3 GLU 70 1HB GLU 70 -2.376 -1.607 -13.416 536 HG2 GLU 70 2HG GLU 70 -1.300 -1.602 -11.247 537 HG3 GLU 70 1HG GLU 70 -2.644 -0.687 -10.565 538 H ILE 71 H ILE 71 -0.694 1.444 -11.084 539 HA ILE 71 HA ILE 71 -2.899 3.190 -10.195 540 HB ILE 71 HB ILE 71 -2.259 2.898 -7.916 541 HG12 ILE 71 2HG1 ILE 71 0.005 1.135 -8.848 542 HG13 ILE 71 1HG1 ILE 71 0.202 2.810 -8.345 543 HG21 ILE 71 1HG2 ILE 71 -3.688 1.153 -8.740 544 HG22 ILE 71 2HG2 ILE 71 -2.529 0.453 -7.611 545 HG23 ILE 71 3HG2 ILE 71 -2.298 0.252 -9.344 546 HD11 ILE 71 1HD1 ILE 71 -0.576 2.239 -6.116 547 HD12 ILE 71 2HD1 ILE 71 0.811 1.256 -6.575 548 HD13 ILE 71 3HD1 ILE 71 -0.811 0.565 -6.616 549 H ILE 72 H ILE 72 0.415 2.946 -11.058 550 HA ILE 72 HA ILE 72 1.652 5.098 -9.824 551 HB ILE 72 HB ILE 72 2.650 3.334 -11.229 552 HG12 ILE 72 2HG1 ILE 72 3.672 5.679 -10.541 553 HG13 ILE 72 1HG1 ILE 72 4.577 4.516 -11.503 554 HG21 ILE 72 1HG2 ILE 72 2.938 3.750 -13.645 555 HG22 ILE 72 2HG2 ILE 72 1.769 5.062 -13.513 556 HG23 ILE 72 3HG2 ILE 72 1.274 3.402 -13.185 557 HD11 ILE 72 1HD1 ILE 72 4.728 6.834 -12.339 558 HD12 ILE 72 2HD1 ILE 72 2.993 6.808 -12.651 559 HD13 ILE 72 3HD1 ILE 72 4.064 5.710 -13.522 560 H ASN 73 H ASN 73 -0.565 5.136 -12.536 561 HA ASN 73 HA ASN 73 0.036 7.954 -12.960 562 HB2 ASN 73 2HB ASN 73 -0.728 5.821 -14.656 563 HB3 ASN 73 1HB ASN 73 -2.018 7.021 -14.693 564 HD21 ASN 73 1HD2 ASN 73 0.430 6.095 -16.415 565 HD22 ASN 73 2HD2 ASN 73 1.071 7.611 -16.976 566 H GLY 74 H GLY 74 -1.550 6.705 -10.656 567 HA2 GLY 74 2HA GLY 74 -3.831 8.594 -10.977 568 HA3 GLY 74 1HA GLY 74 -4.128 6.958 -10.421 569 H LYS 75 H LYS 75 -1.430 9.048 -9.472 570 HA LYS 75 HA LYS 75 -0.725 9.797 -7.437 571 HB2 LYS 75 2HB LYS 75 -2.919 11.093 -7.764 572 HB3 LYS 75 1HB LYS 75 -3.601 9.986 -6.584 573 HG2 LYS 75 2HG LYS 75 -2.918 11.452 -5.054 574 HG3 LYS 75 1HG LYS 75 -1.289 10.850 -5.368 575 HD2 LYS 75 2HD LYS 75 -0.996 12.588 -7.085 576 HD3 LYS 75 1HD LYS 75 -2.615 13.199 -6.731 577 HE2 LYS 75 2HE LYS 75 -1.884 13.610 -4.392 578 HE3 LYS 75 1HE LYS 75 -0.255 13.126 -4.855 579 HZ1 LYS 75 1HZ LYS 75 -1.738 15.372 -6.121 580 HZ2 LYS 75 2HZ LYS 75 -0.103 14.968 -6.342 581 HZ3 LYS 75 3HZ LYS 75 -0.636 15.560 -4.843 582 H CYS 76 H CYS 76 0.304 8.282 -6.334 583 HA CYS 76 HA CYS 76 -1.333 6.160 -5.113 584 HB2 CYS 76 2HB CYS 76 1.653 5.997 -5.358 585 HB3 CYS 76 1HB CYS 76 0.478 4.690 -5.219 586 HG CYS 76 HG CYS 76 -0.552 5.404 -7.885 587 H PHE 77 H PHE 77 -0.421 5.276 -3.103 588 HA PHE 77 HA PHE 77 0.894 7.252 -1.414 589 HB2 PHE 77 2HB PHE 77 -1.759 5.916 -0.801 590 HB3 PHE 77 1HB PHE 77 -0.782 6.756 0.401 591 HD1 PHE 77 1HD PHE 77 -0.234 9.199 -0.024 592 HD2 PHE 77 2HD PHE 77 -3.273 7.091 -2.123 593 HE1 PHE 77 1HE PHE 77 -1.254 11.338 -0.674 594 HE2 PHE 77 2HE PHE 77 -4.300 9.226 -2.773 595 HZ PHE 77 HZ PHE 77 -3.278 11.346 -2.079 596 H PHE 78 H PHE 78 2.633 6.219 -0.759 597 HA PHE 78 HA PHE 78 2.673 3.335 -0.539 598 HB2 PHE 78 2HB PHE 78 4.642 4.625 -1.378 599 HB3 PHE 78 1HB PHE 78 4.804 5.355 0.215 600 HD1 PHE 78 1HD PHE 78 6.066 4.296 1.872 601 HD2 PHE 78 2HD PHE 78 4.819 2.095 -1.545 602 HE1 PHE 78 1HE PHE 78 7.485 2.413 2.575 603 HE2 PHE 78 2HE PHE 78 6.235 0.206 -0.853 604 HZ PHE 78 HZ PHE 78 7.570 0.364 1.209 605 H ILE 79 H ILE 79 1.418 2.712 1.110 606 HA ILE 79 HA ILE 79 1.748 4.061 3.700 607 HB ILE 79 HB ILE 79 -0.316 3.273 4.377 608 HG12 ILE 79 2HG1 ILE 79 0.394 0.909 3.243 609 HG13 ILE 79 1HG1 ILE 79 -1.195 1.248 3.909 610 HG21 ILE 79 1HG2 ILE 79 -0.600 4.950 2.652 611 HG22 ILE 79 2HG2 ILE 79 -1.924 3.783 2.610 612 HG23 ILE 79 3HG2 ILE 79 -0.628 3.691 1.413 613 HD11 ILE 79 1HD1 ILE 79 -2.022 1.788 1.689 614 HD12 ILE 79 2HD1 ILE 79 -1.328 0.166 1.735 615 HD13 ILE 79 3HD1 ILE 79 -0.421 1.497 1.017 616 H HIS 80 H HIS 80 1.598 2.799 5.519 617 HA HIS 80 HA HIS 80 2.838 0.162 5.298 618 HB2 HIS 80 2HB HIS 80 4.578 1.426 6.169 619 HB3 HIS 80 1HB HIS 80 3.490 2.572 6.937 620 HD1 HIS 80 1HD HIS 80 5.200 -0.714 7.506 621 HD2 HIS 80 2HD HIS 80 2.724 1.977 9.471 622 HE1 HIS 80 1HE HIS 80 5.279 -1.384 9.949 623 HE2 HIS 80 2HE HIS 80 3.929 0.386 11.151 624 H TYR 81 H TYR 81 1.107 -1.074 5.581 625 HA TYR 81 HA TYR 81 -1.280 -0.519 6.773 626 HB2 TYR 81 2HB TYR 81 0.187 -3.114 6.403 627 HB3 TYR 81 1HB TYR 81 -1.401 -3.068 7.160 628 HD1 TYR 81 1HD TYR 81 0.254 -3.526 4.154 629 HD2 TYR 81 2HD TYR 81 -3.169 -1.585 5.758 630 HE1 TYR 81 1HE TYR 81 -0.779 -3.536 1.925 631 HE2 TYR 81 2HE TYR 81 -4.223 -1.585 3.531 632 HH TYR 81 HH TYR 81 -3.102 -3.462 0.971 633 H GLN 82 H GLN 82 -1.710 0.170 8.691 634 HA GLN 82 HA GLN 82 0.020 -0.046 10.923 635 HB2 GLN 82 2HB GLN 82 -2.900 0.726 10.847 636 HB3 GLN 82 1HB GLN 82 -1.797 1.014 12.186 637 HG2 GLN 82 2HG GLN 82 -0.420 2.407 10.636 638 HG3 GLN 82 1HG GLN 82 -1.705 2.233 9.445 639 HE21 GLN 82 1HE2 GLN 82 -3.769 2.279 11.556 640 HE22 GLN 82 2HE2 GLN 82 -3.908 3.935 12.023 641 H GLY 83 H GLY 83 0.228 -1.598 12.379 642 HA2 GLY 83 2HA GLY 83 -0.484 -3.231 13.890 643 HA3 GLY 83 1HA GLY 83 -2.038 -3.278 13.073 644 H TRP 84 H TRP 84 0.390 -3.439 10.784 645 HA TRP 84 HA TRP 84 0.136 -6.363 10.712 646 HB2 TRP 84 2HB TRP 84 0.340 -4.309 8.545 647 HB3 TRP 84 1HB TRP 84 0.874 -5.960 8.240 648 HD1 TRP 84 HD TRP 84 -2.099 -3.885 7.962 649 HE1 TRP 84 1HE TRP 84 -4.219 -5.316 7.693 650 HE3 TRP 84 3HE TRP 84 -0.200 -8.430 9.347 651 HZ2 TRP 84 2HZ TRP 84 -4.987 -8.012 8.023 652 HZ3 TRP 84 3HZ TRP 84 -1.694 -10.381 9.348 653 HH2 TRP 84 HH TRP 84 -4.040 -10.176 8.700 654 H LYS 85 H LYS 85 2.431 -4.641 8.742 655 HA LYS 85 HA LYS 85 4.692 -4.994 10.446 656 HB2 LYS 85 2HB LYS 85 4.018 -7.369 9.572 657 HB3 LYS 85 1HB LYS 85 4.727 -6.821 8.058 658 HG2 LYS 85 2HG LYS 85 6.528 -7.837 8.992 659 HG3 LYS 85 1HG LYS 85 6.751 -6.200 9.616 660 HD2 LYS 85 2HD LYS 85 7.070 -7.724 11.431 661 HD3 LYS 85 1HD LYS 85 5.527 -6.901 11.682 662 HE2 LYS 85 2HE LYS 85 4.392 -8.858 10.649 663 HE3 LYS 85 1HE LYS 85 5.952 -9.680 10.594 664 HZ1 LYS 85 1HZ LYS 85 4.433 -8.829 12.996 665 HZ2 LYS 85 2HZ LYS 85 6.051 -9.328 13.062 666 HZ3 LYS 85 3HZ LYS 85 4.852 -10.405 12.535 667 H SER 86 H SER 86 6.783 -4.708 9.051 668 HA SER 86 HA SER 86 6.396 -2.388 7.417 669 HB2 SER 86 2HB SER 86 9.049 -3.228 7.149 670 HB3 SER 86 1HB SER 86 8.437 -2.058 8.320 671 HG SER 86 HG SER 86 9.541 -4.346 8.870 672 H SER 87 H SER 87 6.529 -5.749 6.894 673 HA SER 87 HA SER 87 7.439 -5.677 4.169 674 HB2 SER 87 2HB SER 87 5.912 -8.036 4.831 675 HB3 SER 87 1HB SER 87 7.647 -7.886 4.541 676 HG SER 87 HG SER 87 7.913 -8.146 6.601 677 H TRP 88 H TRP 88 4.696 -4.714 5.702 678 HA TRP 88 HA TRP 88 2.871 -5.424 3.541 679 HB2 TRP 88 2HB TRP 88 2.473 -4.380 6.331 680 HB3 TRP 88 1HB TRP 88 1.191 -4.252 5.133 681 HD1 TRP 88 HD TRP 88 3.140 -6.849 7.152 682 HE1 TRP 88 1HE TRP 88 1.845 -9.077 7.106 683 HE3 TRP 88 3HE TRP 88 -0.486 -5.587 3.785 684 HZ2 TRP 88 2HZ TRP 88 -0.432 -10.145 5.797 685 HZ3 TRP 88 3HZ TRP 88 -2.186 -7.263 3.189 686 HH2 TRP 88 HH TRP 88 -2.159 -9.496 4.175 687 H ASP 89 H ASP 89 5.062 -3.117 4.130 688 HA ASP 89 HA ASP 89 3.660 -0.724 3.549 689 HB2 ASP 89 2HB ASP 89 6.585 -1.400 3.121 690 HB3 ASP 89 1HB ASP 89 5.901 0.217 3.036 691 H GLU 90 H GLU 90 2.412 -0.758 1.785 692 HA GLU 90 HA GLU 90 3.685 -1.440 -0.778 693 HB2 GLU 90 2HB GLU 90 0.963 -2.192 0.259 694 HB3 GLU 90 1HB GLU 90 1.320 -2.165 -1.462 695 HG2 GLU 90 2HG GLU 90 3.092 -3.703 0.375 696 HG3 GLU 90 1HG GLU 90 1.533 -4.376 -0.102 697 H TRP 91 H TRP 91 2.401 -0.590 -2.645 698 HA TRP 91 HA TRP 91 1.786 2.229 -2.170 699 HB2 TRP 91 2HB TRP 91 2.467 0.619 -4.622 700 HB3 TRP 91 1HB TRP 91 1.772 2.226 -4.753 701 HD1 TRP 91 HD TRP 91 5.011 0.425 -4.235 702 HE1 TRP 91 1HE TRP 91 6.920 2.137 -4.078 703 HE3 TRP 91 3HE TRP 91 2.246 4.714 -3.721 704 HZ2 TRP 91 2HZ TRP 91 7.210 4.932 -3.790 705 HZ3 TRP 91 3HZ TRP 91 3.441 6.859 -3.506 706 HH2 TRP 91 HH TRP 91 5.870 6.956 -3.531 707 H VAL 92 H VAL 92 -0.304 2.858 -2.090 708 HA VAL 92 HA VAL 92 -2.267 1.248 -3.583 709 HB VAL 92 HB VAL 92 -3.998 2.135 -2.013 710 HG11 VAL 92 1HG1 VAL 92 -1.827 0.451 -0.777 711 HG12 VAL 92 2HG1 VAL 92 -3.141 -0.125 -1.806 712 HG13 VAL 92 3HG1 VAL 92 -3.497 0.561 -0.218 713 HG21 VAL 92 1HG2 VAL 92 -3.257 2.973 0.177 714 HG22 VAL 92 2HG2 VAL 92 -2.813 4.054 -1.139 715 HG23 VAL 92 3HG2 VAL 92 -1.597 3.008 -0.412 716 H GLY 93 H GLY 93 -4.176 2.595 -4.323 717 HA2 GLY 93 2HA GLY 93 -3.254 5.332 -4.970 718 HA3 GLY 93 1HA GLY 93 -3.986 4.292 -6.185 719 H TYR 94 H TYR 94 -5.082 6.752 -5.699 720 HA TYR 94 HA TYR 94 -7.049 7.061 -3.778 721 HB2 TYR 94 2HB TYR 94 -6.672 8.041 -6.546 722 HB3 TYR 94 1HB TYR 94 -8.253 8.276 -5.811 723 HD1 TYR 94 1HD TYR 94 -5.664 10.080 -6.622 724 HD2 TYR 94 2HD TYR 94 -7.591 8.865 -3.049 725 HE1 TYR 94 1HE TYR 94 -4.812 12.078 -5.502 726 HE2 TYR 94 2HE TYR 94 -6.752 10.854 -1.905 727 HH TYR 94 HH TYR 94 -4.957 12.487 -2.103 728 H ASP 95 H ASP 95 -6.945 4.767 -6.130 729 HA ASP 95 HA ASP 95 -9.812 4.481 -6.527 730 HB2 ASP 95 2HB ASP 95 -8.346 4.136 -8.456 731 HB3 ASP 95 1HB ASP 95 -7.507 2.841 -7.605 732 H ARG 96 H ARG 96 -7.284 3.175 -4.568 733 HA ARG 96 HA ARG 96 -9.206 1.162 -3.589 734 HB2 ARG 96 2HB ARG 96 -6.258 0.892 -4.107 735 HB3 ARG 96 1HB ARG 96 -7.055 -0.132 -2.922 736 HG2 ARG 96 2HG ARG 96 -7.668 -1.501 -4.544 737 HG3 ARG 96 1HG ARG 96 -8.627 -0.212 -5.266 738 HD2 ARG 96 2HD ARG 96 -6.208 0.510 -6.148 739 HD3 ARG 96 1HD ARG 96 -5.938 -1.226 -5.984 740 HE ARG 96 HE ARG 96 -8.272 -0.262 -7.489 741 HH11 ARG 96 1HH1 ARG 96 -5.129 -1.833 -7.493 742 HH12 ARG 96 2HH1 ARG 96 -5.313 -2.483 -9.093 743 HH21 ARG 96 1HH2 ARG 96 -8.539 -1.148 -9.551 744 HH22 ARG 96 2HH2 ARG 96 -7.281 -2.130 -10.251 745 H ILE 97 H ILE 97 -7.372 3.871 -2.903 746 HA ILE 97 HA ILE 97 -7.178 3.255 -0.061 747 HB ILE 97 HB ILE 97 -5.245 4.343 -1.298 748 HG12 ILE 97 2HG1 ILE 97 -6.485 5.620 1.112 749 HG13 ILE 97 1HG1 ILE 97 -5.248 4.372 1.057 750 HG21 ILE 97 1HG2 ILE 97 -5.354 6.762 -1.596 751 HG22 ILE 97 2HG2 ILE 97 -7.068 6.722 -1.190 752 HG23 ILE 97 3HG2 ILE 97 -6.488 5.911 -2.644 753 HD11 ILE 97 1HD1 ILE 97 -3.674 6.001 0.120 754 HD12 ILE 97 2HD1 ILE 97 -4.285 6.489 1.700 755 HD13 ILE 97 3HD1 ILE 97 -4.918 7.246 0.238 756 H ARG 98 H ARG 98 -8.274 4.344 1.486 757 HA ARG 98 HA ARG 98 -10.369 6.211 0.597 758 HB2 ARG 98 2HB ARG 98 -10.612 4.011 2.662 759 HB3 ARG 98 1HB ARG 98 -11.840 5.230 2.348 760 HG2 ARG 98 2HG ARG 98 -10.894 3.060 0.494 761 HG3 ARG 98 1HG ARG 98 -12.488 3.233 1.228 762 HD2 ARG 98 2HD ARG 98 -11.238 4.980 -0.890 763 HD3 ARG 98 1HD ARG 98 -12.637 3.923 -1.061 764 HE ARG 98 HE ARG 98 -13.766 5.467 0.550 765 HH11 ARG 98 1HH1 ARG 98 -11.086 6.563 -1.409 766 HH12 ARG 98 2HH1 ARG 98 -11.597 8.219 -1.417 767 HH21 ARG 98 1HH2 ARG 98 -14.459 7.645 0.552 768 HH22 ARG 98 2HH2 ARG 98 -13.522 8.853 -0.290 769 H ALA 99 H ALA 99 -11.354 7.013 2.981 770 HA ALA 99 HA ALA 99 -9.059 8.359 4.148 771 HB1 ALA 99 1HB ALA 99 -10.664 9.996 5.000 772 HB2 ALA 99 2HB ALA 99 -11.998 9.053 4.341 773 HB3 ALA 99 3HB ALA 99 -10.843 9.828 3.253 774 H TYR 100 H TYR 100 -8.681 8.162 6.298 775 HA TYR 100 HA TYR 100 -10.120 6.010 7.616 776 HB2 TYR 100 2HB TYR 100 -7.737 5.915 7.582 777 HB3 TYR 100 1HB TYR 100 -7.616 7.540 8.209 778 HD1 TYR 100 1HD TYR 100 -7.505 4.120 8.971 779 HD2 TYR 100 2HD TYR 100 -8.644 7.855 10.651 780 HE1 TYR 100 1HE TYR 100 -7.321 3.156 11.221 781 HE2 TYR 100 2HE TYR 100 -8.464 6.904 12.904 782 HH TYR 100 HH TYR 100 -8.659 4.405 13.871 783 H ASN 101 H ASN 101 -11.990 6.820 8.270 784 HA ASN 101 HA ASN 101 -11.964 8.685 10.464 785 HB2 ASN 101 2HB ASN 101 -13.835 10.035 9.412 786 HB3 ASN 101 1HB ASN 101 -12.234 10.301 8.737 787 HD21 ASN 101 1HD2 ASN 101 -12.616 10.837 6.703 788 HD22 ASN 101 2HD2 ASN 101 -13.531 9.892 5.581 789 H GLU 102 H GLU 102 -14.426 8.976 11.104 790 HA GLU 102 HA GLU 102 -15.248 6.324 11.797 791 HB2 GLU 102 2HB GLU 102 -16.532 9.007 12.312 792 HB3 GLU 102 1HB GLU 102 -17.083 7.488 13.010 793 HG2 GLU 102 2HG GLU 102 -15.478 7.483 14.558 794 HG3 GLU 102 1HG GLU 102 -14.237 7.968 13.407 795 H GLU 103 H GLU 103 -15.742 8.042 9.045 796 HA GLU 103 HA GLU 103 -18.464 7.089 8.588 797 HB2 GLU 103 2HB GLU 103 -17.568 9.459 8.063 798 HB3 GLU 103 1HB GLU 103 -16.843 8.705 6.654 799 HG2 GLU 103 2HG GLU 103 -18.812 8.481 5.594 800 HG3 GLU 103 1HG GLU 103 -19.700 8.147 7.085 801 H ASN 104 H ASN 104 -15.176 6.667 7.433 802 HA ASN 104 HA ASN 104 -16.027 4.841 5.317 803 HB2 ASN 104 2HB ASN 104 -14.021 6.682 5.462 804 HB3 ASN 104 1HB ASN 104 -13.151 5.201 5.843 805 HD21 ASN 104 1HD2 ASN 104 -14.316 3.356 4.293 806 HD22 ASN 104 2HD2 ASN 104 -14.149 3.758 2.618 807 H ILE 105 H ILE 105 -14.285 4.816 8.372 808 HA ILE 105 HA ILE 105 -13.443 2.111 8.260 809 HB ILE 105 HB ILE 105 -13.998 3.797 10.663 810 HG12 ILE 105 2HG1 ILE 105 -11.392 3.276 9.244 811 HG13 ILE 105 1HG1 ILE 105 -12.339 4.753 9.077 812 HG21 ILE 105 1HG2 ILE 105 -12.487 2.274 11.831 813 HG22 ILE 105 2HG2 ILE 105 -12.356 1.299 10.369 814 HG23 ILE 105 3HG2 ILE 105 -13.905 1.434 11.202 815 HD11 ILE 105 1HD1 ILE 105 -12.066 5.213 11.417 816 HD12 ILE 105 2HD1 ILE 105 -10.500 5.003 10.633 817 HD13 ILE 105 3HD1 ILE 105 -11.170 3.710 11.622 818 H ALA 106 H ALA 106 -16.387 3.713 8.960 819 HA ALA 106 HA ALA 106 -17.701 1.907 10.619 820 HB1 ALA 106 1HB ALA 106 -18.905 3.600 8.430 821 HB2 ALA 106 2HB ALA 106 -18.529 4.159 10.059 822 HB3 ALA 106 3HB ALA 106 -19.753 2.915 9.817 823 H MET 107 H MET 107 -17.013 1.858 7.203 824 HA MET 107 HA MET 107 -18.750 -0.378 6.664 825 HB2 MET 107 2HB MET 107 -17.695 1.448 5.002 826 HB3 MET 107 1HB MET 107 -16.467 0.201 4.860 827 HG2 MET 107 2HG MET 107 -18.354 0.204 3.181 828 HG3 MET 107 1HG MET 107 -17.924 -1.322 3.947 829 HE1 MET 107 1HE MET 107 -20.169 1.811 4.891 830 HE2 MET 107 2HE MET 107 -21.764 1.115 4.613 831 HE3 MET 107 3HE MET 107 -20.636 1.304 3.270 832 H LYS 108 H LYS 108 -15.268 0.165 7.109 833 HA LYS 108 HA LYS 108 -14.295 -2.364 6.640 834 HB2 LYS 108 2HB LYS 108 -12.995 -0.239 7.101 835 HB3 LYS 108 1HB LYS 108 -13.267 -0.536 8.811 836 HG2 LYS 108 2HG LYS 108 -12.183 -2.826 7.359 837 HG3 LYS 108 1HG LYS 108 -11.132 -1.412 7.376 838 HD2 LYS 108 2HD LYS 108 -12.400 -2.349 9.916 839 HD3 LYS 108 1HD LYS 108 -10.977 -3.183 9.290 840 HE2 LYS 108 2HE LYS 108 -9.895 -0.883 9.152 841 HE3 LYS 108 1HE LYS 108 -11.239 -0.311 10.140 842 HZ1 LYS 108 1HZ LYS 108 -10.604 -2.109 11.758 843 HZ2 LYS 108 2HZ LYS 108 -9.498 -0.829 11.609 844 HZ3 LYS 108 3HZ LYS 108 -9.180 -2.316 10.857 845 H LYS 109 H LYS 109 -15.717 -1.050 9.562 846 HA LYS 109 HA LYS 109 -15.211 -3.217 11.293 847 HB2 LYS 109 2HB LYS 109 -17.703 -1.503 11.340 848 HB3 LYS 109 1HB LYS 109 -16.999 -2.382 12.688 849 HG2 LYS 109 2HG LYS 109 -15.695 -0.065 11.286 850 HG3 LYS 109 1HG LYS 109 -16.625 0.045 12.780 851 HD2 LYS 109 2HD LYS 109 -14.848 -1.932 13.383 852 HD3 LYS 109 1HD LYS 109 -13.886 -0.900 12.323 853 HE2 LYS 109 2HE LYS 109 -14.438 1.035 13.717 854 HE3 LYS 109 1HE LYS 109 -15.402 0.004 14.771 855 HZ1 LYS 109 1HZ LYS 109 -13.262 0.342 15.752 856 HZ2 LYS 109 2HZ LYS 109 -12.467 -0.144 14.341 857 HZ3 LYS 109 3HZ LYS 109 -13.354 -1.272 15.248 858 H ARG 110 H ARG 110 -18.098 -2.460 9.397 859 HA ARG 110 HA ARG 110 -19.428 -4.909 9.875 860 HB2 ARG 110 2HB ARG 110 -20.544 -2.847 9.077 861 HB3 ARG 110 1HB ARG 110 -19.671 -2.971 7.563 862 HG2 ARG 110 2HG ARG 110 -20.824 -5.257 7.323 863 HG3 ARG 110 1HG ARG 110 -21.905 -4.676 8.595 864 HD2 ARG 110 2HD ARG 110 -22.858 -3.086 7.247 865 HD3 ARG 110 1HD ARG 110 -21.406 -2.895 6.263 866 HE ARG 110 HE ARG 110 -22.818 -5.429 6.041 867 HH11 ARG 110 1HH1 ARG 110 -22.372 -2.213 4.696 868 HH12 ARG 110 2HH1 ARG 110 -22.828 -2.702 3.093 869 HH21 ARG 110 1HH2 ARG 110 -23.395 -6.042 3.961 870 HH22 ARG 110 2HH2 ARG 110 -23.461 -4.860 2.686 871 H LEU 111 H LEU 111 -17.110 -3.823 7.602 872 HA LEU 111 HA LEU 111 -17.333 -5.866 5.689 873 HB2 LEU 111 2HB LEU 111 -15.490 -3.673 6.361 874 HB3 LEU 111 1HB LEU 111 -14.834 -4.944 5.368 875 HG LEU 111 HG LEU 111 -17.415 -3.664 4.756 876 HD11 LEU 111 1HD1 LEU 111 -14.703 -2.761 3.807 877 HD12 LEU 111 2HD1 LEU 111 -15.779 -1.861 4.881 878 HD13 LEU 111 3HD1 LEU 111 -16.244 -2.153 3.204 879 HD21 LEU 111 1HD2 LEU 111 -16.997 -5.687 3.585 880 HD22 LEU 111 2HD2 LEU 111 -15.460 -5.052 3.003 881 HD23 LEU 111 3HD2 LEU 111 -16.973 -4.310 2.485 882 H ALA 112 H ALA 112 -15.153 -5.465 8.482 883 HA ALA 112 HA ALA 112 -13.741 -7.855 7.821 884 HB1 ALA 112 1HB ALA 112 -13.819 -6.338 10.434 885 HB2 ALA 112 2HB ALA 112 -12.685 -6.061 9.111 886 HB3 ALA 112 3HB ALA 112 -12.652 -7.587 9.994 887 H ASN 113 H ASN 113 -16.724 -7.189 9.253 888 HA ASN 113 HA ASN 113 -16.762 -9.800 10.543 889 HB2 ASN 113 2HB ASN 113 -18.169 -8.909 12.029 890 HB3 ASN 113 1HB ASN 113 -17.917 -7.352 11.258 891 HD21 ASN 113 1HD2 ASN 113 -19.601 -6.368 10.392 892 HD22 ASN 113 2HD2 ASN 113 -21.161 -7.066 10.148 893 H GLU 114 H GLU 114 -18.133 -8.025 7.824 894 HA GLU 114 HA GLU 114 -19.919 -10.217 7.190 895 HB2 GLU 114 2HB GLU 114 -19.544 -7.469 6.151 896 HB3 GLU 114 1HB GLU 114 -20.238 -8.666 5.061 897 HG2 GLU 114 2HG GLU 114 -21.791 -9.207 7.064 898 HG3 GLU 114 1HG GLU 114 -21.294 -7.621 7.651 899 H ALA 115 H ALA 115 -16.794 -8.970 5.987 900 HA ALA 115 HA ALA 115 -16.871 -10.678 3.664 901 HB1 ALA 115 1HB ALA 115 -14.497 -9.469 5.083 902 HB2 ALA 115 2HB ALA 115 -15.373 -8.752 3.729 903 HB3 ALA 115 3HB ALA 115 -14.455 -10.244 3.498 904 H LYS 116 H LYS 116 -16.678 -11.197 6.883 905 HA LYS 116 HA LYS 116 -15.260 -13.744 6.670 906 HB2 LYS 116 2HB LYS 116 -14.362 -13.247 8.664 907 HB3 LYS 116 1HB LYS 116 -14.989 -11.627 8.415 908 HG2 LYS 116 2HG LYS 116 -16.911 -12.082 9.734 909 HG3 LYS 116 1HG LYS 116 -16.518 -13.799 9.826 910 HD2 LYS 116 2HD LYS 116 -14.675 -13.410 11.225 911 HD3 LYS 116 1HD LYS 116 -14.659 -11.683 10.856 912 HE2 LYS 116 2HE LYS 116 -16.804 -11.430 12.021 913 HE3 LYS 116 1HE LYS 116 -16.788 -13.149 12.414 914 HZ1 LYS 116 1HZ LYS 116 -15.966 -11.556 14.183 915 HZ2 LYS 116 2HZ LYS 116 -14.587 -11.342 13.223 916 HZ3 LYS 116 3HZ LYS 116 -14.969 -12.879 13.833 917 H GLU 117 H GLU 117 -18.343 -12.323 7.008 918 HA GLU 117 HA GLU 117 -19.671 -14.333 8.512 919 HB2 GLU 117 2HB GLU 117 -20.531 -12.082 6.740 920 HB3 GLU 117 1HB GLU 117 -21.709 -13.294 7.207 921 HG2 GLU 117 2HG GLU 117 -20.080 -11.984 9.324 922 HG3 GLU 117 1HG GLU 117 -21.413 -11.096 8.582 923 H ALA 118 H ALA 118 -19.656 -13.599 5.028 924 HA ALA 118 HA ALA 118 -20.420 -16.403 4.558 925 HB1 ALA 118 1HB ALA 118 -21.597 -15.661 2.551 926 HB2 ALA 118 2HB ALA 118 -21.184 -13.988 2.922 927 HB3 ALA 118 3HB ALA 118 -22.244 -14.896 4.003 928 H LYS 119 H LYS 119 -19.334 -17.555 3.103 929 HA LYS 119 HA LYS 119 -17.660 -16.435 1.078 930 HB2 LYS 119 2HB LYS 119 -15.549 -17.523 1.923 931 HB3 LYS 119 1HB LYS 119 -16.057 -16.094 2.813 932 HG2 LYS 119 2HG LYS 119 -17.107 -18.574 3.925 933 HG3 LYS 119 1HG LYS 119 -15.343 -18.496 3.910 934 HD2 LYS 119 2HD LYS 119 -16.869 -16.119 4.849 935 HD3 LYS 119 1HD LYS 119 -16.742 -17.515 5.920 936 HE2 LYS 119 2HE LYS 119 -14.957 -16.040 6.462 937 HE3 LYS 119 1HE LYS 119 -14.260 -17.416 5.615 938 HZ1 LYS 119 1HZ LYS 119 -13.356 -15.257 4.896 939 HZ2 LYS 119 2HZ LYS 119 -14.891 -14.803 4.346 940 HZ3 LYS 119 3HZ LYS 119 -14.086 -16.104 3.627 941 H LYS 120 H LYS 120 -19.851 -18.303 1.646 942 HA LYS 120 HA LYS 120 -19.062 -20.423 -0.116 943 HB2 LYS 120 2HB LYS 120 -18.363 -21.174 2.232 944 HB3 LYS 120 1HB LYS 120 -20.076 -21.214 2.624 945 HG2 LYS 120 2HG LYS 120 -19.319 -23.423 2.069 946 HG3 LYS 120 1HG LYS 120 -20.417 -22.852 0.807 947 HD2 LYS 120 2HD LYS 120 -18.467 -23.969 -0.158 948 HD3 LYS 120 1HD LYS 120 -18.498 -22.258 -0.592 949 HE2 LYS 120 2HE LYS 120 -17.065 -22.436 1.821 950 HE3 LYS 120 1HE LYS 120 -16.471 -23.741 0.797 951 HZ1 LYS 120 1HZ LYS 120 -16.524 -20.840 0.180 952 HZ2 LYS 120 2HZ LYS 120 -16.228 -22.030 -0.995 953 HZ3 LYS 120 3HZ LYS 120 -15.173 -21.852 0.319 Start of MODEL 13 1 H MET 1 1HT MET 1 -16.603 19.026 -6.255 2 HA MET 1 HA MET 1 -15.320 20.407 -3.971 3 HB2 MET 1 2HB MET 1 -17.855 20.765 -4.658 4 HB3 MET 1 1HB MET 1 -18.050 19.187 -3.907 5 HG2 MET 1 2HG MET 1 -16.882 21.619 -2.569 6 HG3 MET 1 1HG MET 1 -18.533 21.045 -2.374 7 HE1 MET 1 1HE MET 1 -18.091 17.732 -0.402 8 HE2 MET 1 2HE MET 1 -18.215 17.879 -2.160 9 HE3 MET 1 3HE MET 1 -19.220 18.888 -1.115 10 H VAL 2 H VAL 2 -13.906 18.944 -3.192 11 HA VAL 2 HA VAL 2 -14.951 16.267 -2.617 12 HB VAL 2 HB VAL 2 -12.491 15.485 -3.032 13 HG11 VAL 2 1HG1 VAL 2 -14.395 14.604 -4.221 14 HG12 VAL 2 2HG1 VAL 2 -13.075 14.897 -5.351 15 HG13 VAL 2 3HG1 VAL 2 -14.432 16.020 -5.273 16 HG21 VAL 2 1HG2 VAL 2 -11.438 16.633 -4.939 17 HG22 VAL 2 2HG2 VAL 2 -11.539 17.656 -3.508 18 HG23 VAL 2 3HG2 VAL 2 -12.670 17.892 -4.841 19 H ASP 3 H ASP 3 -14.901 15.975 -0.526 20 HA ASP 3 HA ASP 3 -13.193 17.574 1.156 21 HB2 ASP 3 2HB ASP 3 -14.270 16.130 3.002 22 HB3 ASP 3 1HB ASP 3 -15.269 17.304 2.165 23 H LEU 4 H LEU 4 -11.331 16.545 -0.021 24 HA LEU 4 HA LEU 4 -10.589 13.892 0.659 25 HB2 LEU 4 2HB LEU 4 -8.212 14.897 0.116 26 HB3 LEU 4 1HB LEU 4 -9.379 14.597 -1.155 27 HG LEU 4 HG LEU 4 -10.019 17.133 -0.614 28 HD11 LEU 4 1HD1 LEU 4 -7.081 16.928 0.051 29 HD12 LEU 4 2HD1 LEU 4 -8.371 17.419 1.146 30 HD13 LEU 4 3HD1 LEU 4 -7.958 18.427 -0.241 31 HD21 LEU 4 1HD2 LEU 4 -9.431 16.219 -2.795 32 HD22 LEU 4 2HD2 LEU 4 -7.722 16.245 -2.356 33 HD23 LEU 4 3HD2 LEU 4 -8.615 17.759 -2.516 34 H GLU 5 H GLU 5 -10.410 16.949 2.184 35 HA GLU 5 HA GLU 5 -9.627 17.732 4.160 36 HB2 GLU 5 2HB GLU 5 -10.352 14.911 4.948 37 HB3 GLU 5 1HB GLU 5 -10.009 16.204 6.091 38 HG2 GLU 5 2HG GLU 5 -12.140 16.505 4.010 39 HG3 GLU 5 1HG GLU 5 -12.455 15.675 5.533 40 H GLN 6 H GLN 6 -7.727 16.295 2.350 41 HA GLN 6 HA GLN 6 -5.604 15.558 2.232 42 HB2 GLN 6 2HB GLN 6 -3.943 16.820 3.470 43 HB3 GLN 6 1HB GLN 6 -5.200 17.882 2.860 44 HG2 GLN 6 2HG GLN 6 -5.670 18.622 4.889 45 HG3 GLN 6 1HG GLN 6 -5.791 16.986 5.539 46 HE21 GLN 6 1HE2 GLN 6 -4.761 17.447 7.433 47 HE22 GLN 6 2HE2 GLN 6 -3.069 17.815 7.522 48 H GLU 7 H GLU 7 -7.323 13.872 3.716 49 HA GLU 7 HA GLU 7 -5.876 12.870 5.998 50 HB2 GLU 7 2HB GLU 7 -7.952 11.265 4.563 51 HB3 GLU 7 1HB GLU 7 -7.625 11.369 6.284 52 HG2 GLU 7 2HG GLU 7 -8.414 13.924 5.644 53 HG3 GLU 7 1HG GLU 7 -9.441 12.915 4.631 54 H PHE 8 H PHE 8 -5.479 12.687 2.733 55 HA PHE 8 HA PHE 8 -4.145 10.066 2.809 56 HB2 PHE 8 2HB PHE 8 -4.772 11.345 0.201 57 HB3 PHE 8 1HB PHE 8 -4.820 9.643 0.641 58 HD1 PHE 8 1HD PHE 8 -6.859 8.660 1.552 59 HD2 PHE 8 2HD PHE 8 -6.650 12.768 0.488 60 HE1 PHE 8 1HE PHE 8 -9.316 8.808 1.617 61 HE2 PHE 8 2HE PHE 8 -9.095 12.922 0.554 62 HZ PHE 8 HZ PHE 8 -10.426 10.954 1.125 63 H ALA 9 H ALA 9 -2.515 11.541 3.827 64 HA ALA 9 HA ALA 9 -0.847 12.608 1.760 65 HB1 ALA 9 1HB ALA 9 -0.595 14.767 2.877 66 HB2 ALA 9 2HB ALA 9 -1.806 14.292 4.067 67 HB3 ALA 9 3HB ALA 9 -2.262 14.489 2.372 68 H LEU 10 H LEU 10 0.658 14.031 3.652 69 HA LEU 10 HA LEU 10 2.574 12.076 4.246 70 HB2 LEU 10 2HB LEU 10 2.202 14.925 5.052 71 HB3 LEU 10 1HB LEU 10 3.599 13.986 5.548 72 HG LEU 10 HG LEU 10 3.673 13.564 2.865 73 HD11 LEU 10 1HD1 LEU 10 3.207 15.641 1.710 74 HD12 LEU 10 2HD1 LEU 10 2.631 16.377 3.205 75 HD13 LEU 10 3HD1 LEU 10 1.741 15.037 2.481 76 HD21 LEU 10 1HD2 LEU 10 4.861 15.914 4.341 77 HD22 LEU 10 2HD2 LEU 10 5.420 15.279 2.794 78 HD23 LEU 10 3HD2 LEU 10 5.541 14.290 4.246 79 H GLY 11 H GLY 11 2.141 10.500 5.665 80 HA2 GLY 11 2HA GLY 11 1.954 9.509 7.736 81 HA3 GLY 11 1HA GLY 11 2.125 11.106 8.455 82 H GLY 12 H GLY 12 -0.313 10.654 6.099 83 HA2 GLY 12 2HA GLY 12 -2.344 11.313 8.033 84 HA3 GLY 12 1HA GLY 12 -2.581 11.072 6.307 85 H ARG 13 H ARG 13 -4.127 10.109 8.590 86 HA ARG 13 HA ARG 13 -3.673 7.244 8.605 87 HB2 ARG 13 2HB ARG 13 -5.183 9.153 10.213 88 HB3 ARG 13 1HB ARG 13 -6.147 7.742 9.795 89 HG2 ARG 13 2HG ARG 13 -5.102 7.318 11.892 90 HG3 ARG 13 1HG ARG 13 -4.307 6.310 10.679 91 HD2 ARG 13 2HD ARG 13 -2.414 7.730 10.607 92 HD3 ARG 13 1HD ARG 13 -3.237 8.993 11.527 93 HE ARG 13 HE ARG 13 -3.242 6.839 13.201 94 HH11 ARG 13 1HH1 ARG 13 -0.759 8.616 11.484 95 HH12 ARG 13 2HH1 ARG 13 0.468 8.298 12.669 96 HH21 ARG 13 1HH2 ARG 13 -1.639 6.412 14.748 97 HH22 ARG 13 2HH2 ARG 13 -0.026 7.022 14.530 98 H CYS 14 H CYS 14 -4.402 6.062 6.949 99 HA CYS 14 HA CYS 14 -6.958 6.855 5.727 100 HB2 CYS 14 2HB CYS 14 -4.322 6.368 4.448 101 HB3 CYS 14 1HB CYS 14 -5.749 5.762 3.612 102 HG CYS 14 HG CYS 14 -5.507 9.013 4.622 103 H LEU 15 H LEU 15 -7.782 5.085 4.314 104 HA LEU 15 HA LEU 15 -7.357 2.454 5.576 105 HB2 LEU 15 2HB LEU 15 -9.833 3.790 4.492 106 HB3 LEU 15 1HB LEU 15 -9.732 2.044 4.635 107 HG LEU 15 HG LEU 15 -9.358 3.915 6.968 108 HD11 LEU 15 1HD1 LEU 15 -11.577 4.223 6.045 109 HD12 LEU 15 2HD1 LEU 15 -11.660 3.336 7.569 110 HD13 LEU 15 3HD1 LEU 15 -11.837 2.477 6.036 111 HD21 LEU 15 1HD2 LEU 15 -8.384 1.695 7.237 112 HD22 LEU 15 2HD2 LEU 15 -9.917 0.954 6.781 113 HD23 LEU 15 3HD2 LEU 15 -9.797 1.888 8.271 114 H ALA 16 H ALA 16 -7.242 0.679 4.089 115 HA ALA 16 HA ALA 16 -7.358 1.442 1.284 116 HB1 ALA 16 1HB ALA 16 -5.044 1.903 1.875 117 HB2 ALA 16 2HB ALA 16 -5.165 0.561 0.739 118 HB3 ALA 16 3HB ALA 16 -4.853 0.246 2.444 119 H PHE 17 H PHE 17 -7.610 -0.276 -0.118 120 HA PHE 17 HA PHE 17 -9.007 -2.436 1.159 121 HB2 PHE 17 2HB PHE 17 -8.723 -1.496 -1.655 122 HB3 PHE 17 1HB PHE 17 -9.351 -3.112 -1.334 123 HD1 PHE 17 1HD PHE 17 -11.300 -3.307 0.310 124 HD2 PHE 17 2HD PHE 17 -10.130 0.350 -1.520 125 HE1 PHE 17 1HE PHE 17 -13.513 -2.362 0.811 126 HE2 PHE 17 2HE PHE 17 -12.346 1.306 -1.028 127 HZ PHE 17 HZ PHE 17 -14.037 -0.050 0.136 128 H HIS 18 H HIS 18 -7.897 -3.912 2.038 129 HA HIS 18 HA HIS 18 -5.714 -5.219 0.573 130 HB2 HIS 18 2HB HIS 18 -5.055 -4.470 2.807 131 HB3 HIS 18 1HB HIS 18 -6.467 -5.243 3.517 132 HD2 HIS 18 2HD HIS 18 -3.962 -7.040 1.068 133 HE1 HIS 18 1HE HIS 18 -3.907 -8.908 4.868 134 HE2 HIS 18 2HE HIS 18 -2.920 -8.914 2.534 135 H GLY 19 H GLY 19 -6.756 -6.614 -0.734 136 HA2 GLY 19 2HA GLY 19 -7.870 -8.570 -1.280 137 HA3 GLY 19 1HA GLY 19 -8.155 -8.830 0.444 138 HA PRO 20 HA PRO 20 -12.239 -7.369 -0.741 139 HB2 PRO 20 2HB PRO 20 -13.454 -8.815 1.303 140 HB3 PRO 20 1HB PRO 20 -13.200 -9.380 -0.347 141 HG2 PRO 20 2HG PRO 20 -12.003 -10.397 2.007 142 HG3 PRO 20 1HG PRO 20 -11.588 -10.822 0.339 143 HD2 PRO 20 2HD PRO 20 -10.254 -8.924 2.203 144 HD3 PRO 20 1HD PRO 20 -9.559 -9.900 0.890 145 H LEU 21 H LEU 21 -10.416 -6.697 2.026 146 HA LEU 21 HA LEU 21 -12.637 -5.082 3.089 147 HB2 LEU 21 2HB LEU 21 -10.578 -6.670 4.573 148 HB3 LEU 21 1HB LEU 21 -11.456 -5.358 5.335 149 HG LEU 21 HG LEU 21 -12.474 -8.016 4.416 150 HD11 LEU 21 1HD1 LEU 21 -13.518 -7.967 6.617 151 HD12 LEU 21 2HD1 LEU 21 -12.875 -6.346 6.884 152 HD13 LEU 21 3HD1 LEU 21 -11.774 -7.717 6.729 153 HD21 LEU 21 1HD2 LEU 21 -14.765 -7.194 4.654 154 HD22 LEU 21 2HD2 LEU 21 -13.927 -6.363 3.339 155 HD23 LEU 21 3HD2 LEU 21 -14.152 -5.556 4.888 156 H MET 22 H MET 22 -11.874 -3.421 4.633 157 HA MET 22 HA MET 22 -9.754 -1.816 3.421 158 HB2 MET 22 2HB MET 22 -12.394 -1.237 4.355 159 HB3 MET 22 1HB MET 22 -11.272 -0.405 5.423 160 HG2 MET 22 2HG MET 22 -10.220 0.653 3.465 161 HG3 MET 22 1HG MET 22 -11.384 -0.158 2.420 162 HE1 MET 22 1HE MET 22 -14.733 1.550 3.264 163 HE2 MET 22 2HE MET 22 -14.109 -0.001 3.824 164 HE3 MET 22 3HE MET 22 -13.858 0.497 2.152 165 H TYR 23 H TYR 23 -7.907 -1.474 4.541 166 HA TYR 23 HA TYR 23 -7.928 -2.137 7.415 167 HB2 TYR 23 2HB TYR 23 -5.989 -2.874 5.258 168 HB3 TYR 23 1HB TYR 23 -5.396 -2.658 6.904 169 HD1 TYR 23 1HD TYR 23 -5.803 -4.292 8.572 170 HD2 TYR 23 2HD TYR 23 -7.717 -4.595 4.789 171 HE1 TYR 23 1HE TYR 23 -6.548 -6.562 9.140 172 HE2 TYR 23 2HE TYR 23 -8.463 -6.871 5.336 173 HH TYR 23 HH TYR 23 -8.199 -8.172 8.518 174 H GLU 24 H GLU 24 -6.499 -0.959 8.758 175 HA GLU 24 HA GLU 24 -6.363 1.806 8.102 176 HB2 GLU 24 2HB GLU 24 -4.739 1.502 10.318 177 HB3 GLU 24 1HB GLU 24 -6.470 1.810 10.345 178 HG2 GLU 24 2HG GLU 24 -5.691 -1.012 10.081 179 HG3 GLU 24 1HG GLU 24 -5.275 -0.241 11.610 180 H ALA 25 H ALA 25 -4.785 2.916 7.172 181 HA ALA 25 HA ALA 25 -2.147 1.632 6.926 182 HB1 ALA 25 1HB ALA 25 -3.631 3.110 4.762 183 HB2 ALA 25 2HB ALA 25 -3.409 1.364 4.860 184 HB3 ALA 25 3HB ALA 25 -2.013 2.417 4.629 185 H LYS 26 H LYS 26 -0.454 2.867 7.366 186 HA LYS 26 HA LYS 26 -0.880 5.723 7.883 187 HB2 LYS 26 2HB LYS 26 0.181 4.183 9.626 188 HB3 LYS 26 1HB LYS 26 1.565 4.060 8.547 189 HG2 LYS 26 2HG LYS 26 0.746 6.809 9.118 190 HG3 LYS 26 1HG LYS 26 1.269 5.900 10.538 191 HD2 LYS 26 2HD LYS 26 3.345 5.283 9.277 192 HD3 LYS 26 1HD LYS 26 2.826 6.384 7.995 193 HE2 LYS 26 2HE LYS 26 2.771 8.214 9.678 194 HE3 LYS 26 1HE LYS 26 3.432 7.092 10.866 195 HZ1 LYS 26 1HZ LYS 26 5.107 8.546 9.803 196 HZ2 LYS 26 2HZ LYS 26 4.780 7.799 8.317 197 HZ3 LYS 26 3HZ LYS 26 5.431 6.895 9.592 198 H ILE 27 H ILE 27 -0.571 6.892 6.091 199 HA ILE 27 HA ILE 27 1.081 6.030 3.935 200 HB ILE 27 HB ILE 27 0.099 8.851 4.345 201 HG12 ILE 27 2HG1 ILE 27 -1.425 6.849 2.735 202 HG13 ILE 27 1HG1 ILE 27 -1.634 6.846 4.482 203 HG21 ILE 27 1HG2 ILE 27 0.148 8.907 1.897 204 HG22 ILE 27 2HG2 ILE 27 0.707 7.234 1.870 205 HG23 ILE 27 3HG2 ILE 27 1.734 8.495 2.553 206 HD11 ILE 27 1HD1 ILE 27 -2.129 9.160 2.634 207 HD12 ILE 27 2HD1 ILE 27 -2.311 9.190 4.390 208 HD13 ILE 27 3HD1 ILE 27 -3.351 8.154 3.412 209 H LEU 28 H LEU 28 3.048 6.339 3.481 210 HA LEU 28 HA LEU 28 4.645 8.060 5.244 211 HB2 LEU 28 2HB LEU 28 5.023 5.626 5.408 212 HB3 LEU 28 1HB LEU 28 5.455 5.601 3.708 213 HG LEU 28 HG LEU 28 7.299 7.157 4.210 214 HD11 LEU 28 1HD1 LEU 28 6.516 6.610 7.062 215 HD12 LEU 28 2HD1 LEU 28 6.463 8.166 6.236 216 HD13 LEU 28 3HD1 LEU 28 8.014 7.391 6.560 217 HD21 LEU 28 1HD2 LEU 28 7.319 4.559 5.722 218 HD22 LEU 28 2HD2 LEU 28 8.745 5.466 5.233 219 HD23 LEU 28 3HD2 LEU 28 7.684 4.764 4.011 220 H LYS 29 H LYS 29 3.894 7.183 1.948 221 HA LYS 29 HA LYS 29 5.474 9.487 1.066 222 HB2 LYS 29 2HB LYS 29 5.392 6.905 -0.486 223 HB3 LYS 29 1HB LYS 29 6.347 8.335 -0.844 224 HG2 LYS 29 2HG LYS 29 7.543 7.925 1.337 225 HG3 LYS 29 1HG LYS 29 6.731 6.356 1.378 226 HD2 LYS 29 2HD LYS 29 7.708 5.848 -0.841 227 HD3 LYS 29 1HD LYS 29 8.587 7.378 -0.769 228 HE2 LYS 29 2HE LYS 29 9.570 6.582 1.399 229 HE3 LYS 29 1HE LYS 29 8.860 5.009 1.053 230 HZ1 LYS 29 1HZ LYS 29 11.099 4.966 0.325 231 HZ2 LYS 29 2HZ LYS 29 10.941 6.424 -0.511 232 HZ3 LYS 29 3HZ LYS 29 10.143 5.036 -1.074 233 H ILE 30 H ILE 30 4.386 10.789 -0.202 234 HA ILE 30 HA ILE 30 1.765 9.984 -1.233 235 HB ILE 30 HB ILE 30 3.072 12.722 -1.320 236 HG12 ILE 30 2HG1 ILE 30 2.793 12.373 0.960 237 HG13 ILE 30 1HG1 ILE 30 1.292 13.173 0.508 238 HG21 ILE 30 1HG2 ILE 30 0.214 11.888 -1.755 239 HG22 ILE 30 2HG2 ILE 30 1.348 12.403 -3.007 240 HG23 ILE 30 3HG2 ILE 30 0.820 13.546 -1.770 241 HD11 ILE 30 1HD1 ILE 30 0.936 11.290 2.022 242 HD12 ILE 30 2HD1 ILE 30 1.656 10.213 0.827 243 HD13 ILE 30 3HD1 ILE 30 0.148 11.045 0.464 244 H TRP 31 H TRP 31 1.268 10.151 -3.552 245 HA TRP 31 HA TRP 31 3.766 10.256 -5.127 246 HB2 TRP 31 2HB TRP 31 3.102 7.986 -4.998 247 HB3 TRP 31 1HB TRP 31 1.434 8.386 -5.413 248 HD1 TRP 31 HD TRP 31 0.858 8.625 -7.940 249 HE1 TRP 31 1HE TRP 31 2.194 8.291 -10.121 250 HE3 TRP 31 3HE TRP 31 5.462 8.369 -5.895 251 HZ2 TRP 31 2HZ TRP 31 4.918 7.974 -10.828 252 HZ3 TRP 31 3HZ TRP 31 7.407 8.066 -7.374 253 HH2 TRP 31 HH TRP 31 7.120 7.868 -9.783 254 H ASP 32 H ASP 32 3.777 11.692 -6.703 255 HA ASP 32 HA ASP 32 1.222 12.737 -7.737 256 HB2 ASP 32 2HB ASP 32 2.457 14.550 -6.821 257 HB3 ASP 32 1HB ASP 32 3.968 13.982 -7.527 258 HA PRO 33 HA PRO 33 2.519 10.380 -11.350 259 HB2 PRO 33 2HB PRO 33 0.198 10.621 -12.692 260 HB3 PRO 33 1HB PRO 33 0.392 9.521 -11.324 261 HG2 PRO 33 2HG PRO 33 -0.837 12.246 -11.406 262 HG3 PRO 33 1HG PRO 33 -1.418 10.782 -10.591 263 HD2 PRO 33 2HD PRO 33 -0.094 12.777 -9.301 264 HD3 PRO 33 1HD PRO 33 -0.015 11.076 -8.797 265 H SER 34 H SER 34 1.726 13.674 -11.138 266 HA SER 34 HA SER 34 1.782 14.293 -13.933 267 HB2 SER 34 2HB SER 34 2.140 16.117 -11.539 268 HB3 SER 34 1HB SER 34 1.828 16.638 -13.193 269 HG SER 34 HG SER 34 -0.145 15.338 -13.040 270 H SER 35 H SER 35 4.155 14.082 -11.396 271 HA SER 35 HA SER 35 6.223 14.963 -13.302 272 HB2 SER 35 2HB SER 35 6.674 14.828 -10.335 273 HB3 SER 35 1HB SER 35 7.466 15.855 -11.533 274 HG SER 35 HG SER 35 4.883 16.108 -10.395 275 H LYS 36 H LYS 36 5.114 12.592 -11.067 276 HA LYS 36 HA LYS 36 5.391 10.370 -11.005 277 HB2 LYS 36 2HB LYS 36 6.157 10.506 -13.455 278 HB3 LYS 36 1HB LYS 36 7.793 10.460 -12.800 279 HG2 LYS 36 2HG LYS 36 7.320 8.389 -11.670 280 HG3 LYS 36 1HG LYS 36 5.655 8.440 -12.240 281 HD2 LYS 36 2HD LYS 36 7.818 8.571 -14.276 282 HD3 LYS 36 1HD LYS 36 7.530 7.019 -13.489 283 HE2 LYS 36 2HE LYS 36 5.034 7.507 -14.065 284 HE3 LYS 36 1HE LYS 36 5.719 8.620 -15.248 285 HZ1 LYS 36 1HZ LYS 36 7.021 6.745 -16.139 286 HZ2 LYS 36 2HZ LYS 36 5.348 6.507 -16.275 287 HZ3 LYS 36 3HZ LYS 36 6.225 5.698 -15.070 288 H MET 37 H MET 37 6.258 12.194 -9.352 289 HA MET 37 HA MET 37 8.577 11.011 -8.114 290 HB2 MET 37 2HB MET 37 7.589 13.867 -7.896 291 HB3 MET 37 1HB MET 37 9.021 13.209 -7.117 292 HG2 MET 37 2HG MET 37 10.190 13.068 -9.139 293 HG3 MET 37 1HG MET 37 8.721 13.230 -10.097 294 HE1 MET 37 1HE MET 37 10.933 16.445 -10.846 295 HE2 MET 37 2HE MET 37 10.200 15.009 -11.558 296 HE3 MET 37 3HE MET 37 11.541 14.843 -10.421 297 H TYR 38 H TYR 38 8.321 11.650 -5.661 298 HA TYR 38 HA TYR 38 5.560 11.381 -4.860 299 HB2 TYR 38 2HB TYR 38 6.067 9.450 -3.391 300 HB3 TYR 38 1HB TYR 38 6.230 9.056 -5.094 301 HD1 TYR 38 1HD TYR 38 8.037 7.787 -5.712 302 HD2 TYR 38 2HD TYR 38 8.344 10.228 -2.263 303 HE1 TYR 38 1HE TYR 38 10.256 6.848 -5.247 304 HE2 TYR 38 2HE TYR 38 10.563 9.312 -1.781 305 HH TYR 38 HH TYR 38 11.734 6.527 -3.135 306 H THR 39 H THR 39 5.441 11.710 -2.423 307 HA THR 39 HA THR 39 7.830 13.158 -1.504 308 HB THR 39 HB THR 39 6.537 14.800 -0.430 309 HG1 THR 39 1HG THR 39 4.695 13.222 -0.070 310 HG21 THR 39 1HG2 THR 39 6.978 15.217 -2.772 311 HG22 THR 39 2HG2 THR 39 5.424 15.909 -2.302 312 HG23 THR 39 3HG2 THR 39 5.476 14.400 -3.211 313 H SER 40 H SER 40 8.704 12.006 -0.031 314 HA SER 40 HA SER 40 7.112 10.253 1.665 315 HB2 SER 40 2HB SER 40 9.232 9.539 0.427 316 HB3 SER 40 1HB SER 40 10.118 10.494 1.614 317 HG SER 40 HG SER 40 9.956 8.845 2.898 318 H ILE 41 H ILE 41 7.991 10.049 3.959 319 HA ILE 41 HA ILE 41 8.728 12.680 5.072 320 HB ILE 41 HB ILE 41 7.010 10.952 6.758 321 HG12 ILE 41 2HG1 ILE 41 5.348 12.660 5.088 322 HG13 ILE 41 1HG1 ILE 41 6.118 11.361 4.178 323 HG21 ILE 41 1HG2 ILE 41 7.843 13.098 7.540 324 HG22 ILE 41 2HG2 ILE 41 6.082 13.092 7.457 325 HG23 ILE 41 3HG2 ILE 41 7.017 13.913 6.211 326 HD11 ILE 41 1HD1 ILE 41 3.921 10.720 5.019 327 HD12 ILE 41 2HD1 ILE 41 4.468 11.020 6.666 328 HD13 ILE 41 3HD1 ILE 41 5.199 9.727 5.718 329 HA PRO 42 HA PRO 42 11.922 10.266 7.000 330 HB2 PRO 42 2HB PRO 42 11.820 12.268 9.181 331 HB3 PRO 42 1HB PRO 42 13.173 11.805 8.141 332 HG2 PRO 42 2HG PRO 42 11.927 14.147 7.839 333 HG3 PRO 42 1HG PRO 42 12.535 13.234 6.447 334 HD2 PRO 42 2HD PRO 42 9.729 13.491 7.467 335 HD3 PRO 42 1HD PRO 42 10.320 13.455 5.793 336 H ASN 43 H ASN 43 11.330 8.410 7.947 337 HA ASN 43 HA ASN 43 9.416 8.514 10.160 338 HB2 ASN 43 2HB ASN 43 9.230 6.901 8.102 339 HB3 ASN 43 1HB ASN 43 10.429 5.951 8.970 340 HD21 ASN 43 1HD2 ASN 43 9.851 4.908 10.861 341 HD22 ASN 43 2HD2 ASN 43 8.208 4.733 11.363 342 H ASP 44 H ASP 44 10.347 8.837 12.038 343 HA ASP 44 HA ASP 44 11.725 8.679 13.832 344 HB2 ASP 44 2HB ASP 44 11.887 5.925 12.661 345 HB3 ASP 44 1HB ASP 44 12.932 6.347 14.012 346 H LYS 45 H LYS 45 12.802 10.225 12.085 347 HA LYS 45 HA LYS 45 15.607 9.370 11.817 348 HB2 LYS 45 2HB LYS 45 13.907 11.129 10.050 349 HB3 LYS 45 1HB LYS 45 15.666 11.173 9.984 350 HG2 LYS 45 2HG LYS 45 13.991 8.713 9.539 351 HG3 LYS 45 1HG LYS 45 14.666 9.727 8.261 352 HD2 LYS 45 2HD LYS 45 16.895 9.185 8.900 353 HD3 LYS 45 1HD LYS 45 16.347 8.412 10.388 354 HE2 LYS 45 2HE LYS 45 15.655 7.441 7.621 355 HE3 LYS 45 1HE LYS 45 17.003 6.828 8.575 356 HZ1 LYS 45 1HZ LYS 45 14.827 5.548 8.657 357 HZ2 LYS 45 2HZ LYS 45 14.243 6.805 9.629 358 HZ3 LYS 45 3HZ LYS 45 15.578 5.892 10.141 359 HA PRO 46 HA PRO 46 16.893 12.649 14.457 360 HB2 PRO 46 2HB PRO 46 19.072 13.638 13.092 361 HB3 PRO 46 1HB PRO 46 19.093 12.182 14.094 362 HG2 PRO 46 2HG PRO 46 18.832 12.441 11.123 363 HG3 PRO 46 1HG PRO 46 19.771 11.269 12.068 364 HD2 PRO 46 2HD PRO 46 17.417 10.617 10.958 365 HD3 PRO 46 1HD PRO 46 17.914 9.970 12.535 366 H GLY 47 H GLY 47 16.251 13.333 11.100 367 HA2 GLY 47 2HA GLY 47 14.757 15.138 10.554 368 HA3 GLY 47 1HA GLY 47 15.452 16.057 11.880 369 H GLY 48 H GLY 48 18.022 16.219 11.537 370 HA2 GLY 48 2HA GLY 48 18.386 17.083 8.739 371 HA3 GLY 48 1HA GLY 48 18.936 18.050 10.099 372 H SER 49 H SER 49 20.222 16.594 7.744 373 HA SER 49 HA SER 49 22.561 15.712 9.232 374 HB2 SER 49 2HB SER 49 21.317 13.951 7.097 375 HB3 SER 49 1HB SER 49 22.753 13.595 8.058 376 HG SER 49 HG SER 49 20.866 14.096 9.795 377 H SER 50 H SER 50 21.876 14.910 5.936 378 HA SER 50 HA SER 50 23.087 17.265 4.806 379 HB2 SER 50 2HB SER 50 24.428 14.552 4.551 380 HB3 SER 50 1HB SER 50 24.858 15.979 3.611 381 HG SER 50 HG SER 50 24.870 16.671 6.170 382 H GLN 51 H GLN 51 22.753 13.867 3.755 383 HA GLN 51 HA GLN 51 20.634 14.744 1.912 384 HB2 GLN 51 2HB GLN 51 22.945 12.922 1.236 385 HB3 GLN 51 1HB GLN 51 21.561 13.217 0.190 386 HG2 GLN 51 2HG GLN 51 22.174 15.667 0.321 387 HG3 GLN 51 1HG GLN 51 23.692 15.138 1.042 388 HE21 GLN 51 1HE2 GLN 51 25.203 14.114 -0.194 389 HE22 GLN 51 2HE2 GLN 51 25.103 14.003 -1.922 390 H ALA 52 H ALA 52 21.304 12.929 4.472 391 HA ALA 52 HA ALA 52 19.876 10.529 3.728 392 HB1 ALA 52 1HB ALA 52 20.202 9.861 6.057 393 HB2 ALA 52 2HB ALA 52 20.845 11.458 6.434 394 HB3 ALA 52 3HB ALA 52 21.720 10.390 5.334 395 H THR 53 H THR 53 19.370 13.471 5.525 396 HA THR 53 HA THR 53 16.523 13.339 5.189 397 HB THR 53 HB THR 53 17.455 13.649 8.027 398 HG1 THR 53 1HG THR 53 17.289 11.300 6.566 399 HG21 THR 53 1HG2 THR 53 15.132 12.985 8.504 400 HG22 THR 53 2HG2 THR 53 14.835 12.847 6.770 401 HG23 THR 53 3HG2 THR 53 15.222 14.415 7.477 402 H LYS 54 H LYS 54 15.748 15.365 5.000 403 HA LYS 54 HA LYS 54 16.658 17.597 6.432 404 HB2 LYS 54 2HB LYS 54 18.450 17.001 4.450 405 HB3 LYS 54 1HB LYS 54 17.377 18.129 3.630 406 HG2 LYS 54 2HG LYS 54 18.706 18.696 6.268 407 HG3 LYS 54 1HG LYS 54 19.363 19.182 4.705 408 HD2 LYS 54 2HD LYS 54 17.167 20.361 4.290 409 HD3 LYS 54 1HD LYS 54 16.779 20.060 5.980 410 HE2 LYS 54 2HE LYS 54 18.620 21.391 6.713 411 HE3 LYS 54 1HE LYS 54 19.253 21.519 5.072 412 HZ1 LYS 54 1HZ LYS 54 17.215 22.739 4.465 413 HZ2 LYS 54 2HZ LYS 54 18.122 23.542 5.652 414 HZ3 LYS 54 3HZ LYS 54 16.718 22.698 6.089 415 H GLU 55 H GLU 55 15.924 17.718 2.987 416 HA GLU 55 HA GLU 55 13.220 18.666 3.676 417 HB2 GLU 55 2HB GLU 55 14.911 19.601 1.345 418 HB3 GLU 55 1HB GLU 55 13.326 20.211 1.803 419 HG2 GLU 55 2HG GLU 55 14.156 21.554 3.388 420 HG3 GLU 55 1HG GLU 55 15.371 20.382 3.902 421 H ILE 56 H ILE 56 11.822 17.119 3.103 422 HA ILE 56 HA ILE 56 12.441 15.348 0.891 423 HB ILE 56 HB ILE 56 9.861 15.421 2.420 424 HG12 ILE 56 2HG1 ILE 56 11.544 15.078 4.093 425 HG13 ILE 56 1HG1 ILE 56 10.872 13.495 3.726 426 HG21 ILE 56 1HG2 ILE 56 9.703 13.102 1.614 427 HG22 ILE 56 2HG2 ILE 56 11.228 13.309 0.751 428 HG23 ILE 56 3HG2 ILE 56 9.814 14.259 0.287 429 HD11 ILE 56 1HD1 ILE 56 13.480 14.580 2.680 430 HD12 ILE 56 2HD1 ILE 56 12.812 12.979 2.352 431 HD13 ILE 56 3HD1 ILE 56 13.292 13.413 3.993 432 H LYS 57 H LYS 57 12.449 16.618 -0.864 433 HA LYS 57 HA LYS 57 10.013 18.033 -1.622 434 HB2 LYS 57 2HB LYS 57 11.462 18.641 -3.645 435 HB3 LYS 57 1HB LYS 57 11.983 19.280 -2.094 436 HG2 LYS 57 2HG LYS 57 13.411 17.036 -2.107 437 HG3 LYS 57 1HG LYS 57 13.256 17.271 -3.848 438 HD2 LYS 57 2HD LYS 57 15.273 18.350 -3.117 439 HD3 LYS 57 1HD LYS 57 14.097 19.587 -3.553 440 HE2 LYS 57 2HE LYS 57 13.631 20.078 -1.279 441 HE3 LYS 57 1HE LYS 57 14.494 18.644 -0.728 442 HZ1 LYS 57 1HZ LYS 57 15.672 20.867 -0.508 443 HZ2 LYS 57 2HZ LYS 57 15.873 20.812 -2.195 444 HZ3 LYS 57 3HZ LYS 57 16.549 19.601 -1.218 445 HA PRO 58 HA PRO 58 8.378 14.845 -4.230 446 HB2 PRO 58 2HB PRO 58 8.385 16.087 -6.750 447 HB3 PRO 58 1HB PRO 58 7.069 16.131 -5.575 448 HG2 PRO 58 2HG PRO 58 9.178 18.158 -6.139 449 HG3 PRO 58 1HG PRO 58 7.493 18.394 -5.640 450 HD2 PRO 58 2HD PRO 58 9.530 18.716 -3.920 451 HD3 PRO 58 1HD PRO 58 7.972 18.035 -3.402 452 H GLN 59 H GLN 59 9.849 13.257 -4.349 453 HA GLN 59 HA GLN 59 12.045 13.533 -6.294 454 HB2 GLN 59 2HB GLN 59 11.850 11.924 -3.751 455 HB3 GLN 59 1HB GLN 59 13.113 11.663 -4.947 456 HG2 GLN 59 2HG GLN 59 14.024 13.807 -4.608 457 HG3 GLN 59 1HG GLN 59 12.612 14.347 -3.705 458 HE21 GLN 59 1HE2 GLN 59 12.454 11.852 -2.184 459 HE22 GLN 59 2HE2 GLN 59 13.735 11.917 -1.030 460 H LYS 60 H LYS 60 12.236 12.095 -7.873 461 HA LYS 60 HA LYS 60 10.025 10.523 -8.602 462 HB2 LYS 60 2HB LYS 60 11.419 11.672 -10.273 463 HB3 LYS 60 1HB LYS 60 12.785 10.660 -9.822 464 HG2 LYS 60 2HG LYS 60 11.830 8.743 -10.752 465 HG3 LYS 60 1HG LYS 60 10.218 9.455 -10.793 466 HD2 LYS 60 2HD LYS 60 12.531 10.441 -12.452 467 HD3 LYS 60 1HD LYS 60 11.348 9.256 -13.010 468 HE2 LYS 60 2HE LYS 60 9.554 10.901 -12.599 469 HE3 LYS 60 1HE LYS 60 10.774 12.090 -12.138 470 HZ1 LYS 60 1HZ LYS 60 11.741 11.502 -14.460 471 HZ2 LYS 60 2HZ LYS 60 10.442 12.586 -14.338 472 HZ3 LYS 60 3HZ LYS 60 10.158 10.974 -14.786 473 H LEU 61 H LEU 61 9.805 8.427 -8.732 474 HA LEU 61 HA LEU 61 10.436 6.724 -6.796 475 HB2 LEU 61 2HB LEU 61 9.991 6.336 -9.704 476 HB3 LEU 61 1HB LEU 61 10.323 4.932 -8.686 477 HG LEU 61 HG LEU 61 8.068 6.914 -8.364 478 HD11 LEU 61 1HD1 LEU 61 8.071 3.980 -9.065 479 HD12 LEU 61 2HD1 LEU 61 7.763 5.313 -10.179 480 HD13 LEU 61 3HD1 LEU 61 6.650 5.002 -8.847 481 HD21 LEU 61 1HD2 LEU 61 8.996 6.204 -6.226 482 HD22 LEU 61 2HD2 LEU 61 8.772 4.516 -6.687 483 HD23 LEU 61 3HD2 LEU 61 7.370 5.573 -6.486 484 H GLY 62 H GLY 62 12.264 6.361 -5.855 485 HA2 GLY 62 2HA GLY 62 14.770 6.425 -7.188 486 HA3 GLY 62 1HA GLY 62 14.494 6.055 -5.499 487 H GLU 63 H GLU 63 15.626 4.954 -8.296 488 HA GLU 63 HA GLU 63 16.436 3.055 -9.101 489 HB2 GLU 63 2HB GLU 63 16.345 2.073 -6.267 490 HB3 GLU 63 1HB GLU 63 17.423 1.540 -7.548 491 HG2 GLU 63 2HG GLU 63 17.404 4.166 -6.100 492 HG3 GLU 63 1HG GLU 63 18.692 2.966 -6.171 493 H ASP 64 H ASP 64 14.474 1.480 -6.563 494 HA ASP 64 HA ASP 64 13.357 -0.177 -8.741 495 HB2 ASP 64 2HB ASP 64 13.998 -1.231 -5.991 496 HB3 ASP 64 1HB ASP 64 13.584 -2.150 -7.435 497 H GLU 65 H GLU 65 12.473 2.110 -6.819 498 HA GLU 65 HA GLU 65 10.256 0.939 -5.417 499 HB2 GLU 65 2HB GLU 65 11.485 3.581 -5.776 500 HB3 GLU 65 1HB GLU 65 9.773 3.582 -5.334 501 HG2 GLU 65 2HG GLU 65 10.528 1.924 -3.480 502 HG3 GLU 65 1HG GLU 65 12.138 2.556 -3.812 503 H SER 66 H SER 66 10.728 1.306 -8.526 504 HA SER 66 HA SER 66 8.855 2.660 -9.849 505 HB2 SER 66 2HB SER 66 9.320 -0.230 -10.533 506 HB3 SER 66 1HB SER 66 9.111 1.147 -11.618 507 HG SER 66 HG SER 66 11.327 0.399 -11.358 508 H ILE 67 H ILE 67 6.848 2.955 -9.601 509 HA ILE 67 HA ILE 67 5.057 1.146 -8.260 510 HB ILE 67 HB ILE 67 4.741 3.866 -9.516 511 HG12 ILE 67 2HG1 ILE 67 4.547 3.054 -6.629 512 HG13 ILE 67 1HG1 ILE 67 6.047 3.578 -7.392 513 HG21 ILE 67 1HG2 ILE 67 2.643 2.313 -8.023 514 HG22 ILE 67 2HG2 ILE 67 2.611 2.738 -9.734 515 HG23 ILE 67 3HG2 ILE 67 2.524 4.004 -8.509 516 HD11 ILE 67 1HD1 ILE 67 3.535 5.207 -7.208 517 HD12 ILE 67 2HD1 ILE 67 5.073 5.718 -7.907 518 HD13 ILE 67 3HD1 ILE 67 4.959 5.379 -6.181 519 HA PRO 68 HA PRO 68 3.348 -0.910 -11.880 520 HB2 PRO 68 2HB PRO 68 0.750 -0.427 -10.494 521 HB3 PRO 68 1HB PRO 68 1.399 -1.924 -11.176 522 HG2 PRO 68 2HG PRO 68 1.394 -1.530 -8.545 523 HG3 PRO 68 1HG PRO 68 2.761 -2.324 -9.345 524 HD2 PRO 68 2HD PRO 68 2.551 0.445 -8.266 525 HD3 PRO 68 1HD PRO 68 3.952 -0.646 -8.319 526 H GLU 69 H GLU 69 2.988 0.071 -13.781 527 HA GLU 69 HA GLU 69 2.352 2.788 -14.014 528 HB2 GLU 69 2HB GLU 69 2.203 0.662 -16.150 529 HB3 GLU 69 1HB GLU 69 2.302 2.396 -16.417 530 HG2 GLU 69 2HG GLU 69 4.414 0.911 -14.898 531 HG3 GLU 69 1HG GLU 69 4.442 1.029 -16.654 532 H GLU 70 H GLU 70 0.259 0.291 -13.336 533 HA GLU 70 HA GLU 70 -2.007 1.391 -14.775 534 HB2 GLU 70 2HB GLU 70 -3.282 -0.441 -13.710 535 HB3 GLU 70 1HB GLU 70 -1.873 -1.021 -14.585 536 HG2 GLU 70 2HG GLU 70 -0.651 -1.304 -12.533 537 HG3 GLU 70 1HG GLU 70 -1.976 -0.596 -11.612 538 H ILE 71 H ILE 71 -0.487 1.790 -11.726 539 HA ILE 71 HA ILE 71 -2.896 3.167 -10.717 540 HB ILE 71 HB ILE 71 -2.278 2.666 -8.464 541 HG12 ILE 71 2HG1 ILE 71 0.155 1.189 -9.468 542 HG13 ILE 71 1HG1 ILE 71 0.217 2.858 -8.910 543 HG21 ILE 71 1HG2 ILE 71 -3.491 0.907 -9.602 544 HG22 ILE 71 2HG2 ILE 71 -2.345 0.203 -8.465 545 HG23 ILE 71 3HG2 ILE 71 -1.983 0.210 -10.188 546 HD11 ILE 71 1HD1 ILE 71 0.914 1.335 -7.165 547 HD12 ILE 71 2HD1 ILE 71 -0.619 0.466 -7.283 548 HD13 ILE 71 3HD1 ILE 71 -0.592 2.139 -6.710 549 H ILE 72 H ILE 72 0.392 3.411 -11.542 550 HA ILE 72 HA ILE 72 1.414 5.460 -10.008 551 HB ILE 72 HB ILE 72 2.609 4.096 -11.650 552 HG12 ILE 72 2HG1 ILE 72 3.397 6.377 -10.704 553 HG13 ILE 72 1HG1 ILE 72 4.309 5.624 -12.003 554 HG21 ILE 72 1HG2 ILE 72 1.378 5.904 -13.701 555 HG22 ILE 72 2HG2 ILE 72 1.136 4.164 -13.532 556 HG23 ILE 72 3HG2 ILE 72 2.714 4.793 -14.005 557 HD11 ILE 72 1HD1 ILE 72 2.274 7.814 -12.364 558 HD12 ILE 72 2HD1 ILE 72 3.287 7.106 -13.622 559 HD13 ILE 72 3HD1 ILE 72 4.023 8.038 -12.317 560 H ASN 73 H ASN 73 -0.598 5.761 -12.926 561 HA ASN 73 HA ASN 73 -0.427 8.643 -12.778 562 HB2 ASN 73 2HB ASN 73 -1.838 6.774 -14.666 563 HB3 ASN 73 1HB ASN 73 -1.988 8.523 -14.760 564 HD21 ASN 73 1HD2 ASN 73 -0.809 6.452 -16.564 565 HD22 ASN 73 2HD2 ASN 73 0.783 7.027 -16.906 566 H GLY 74 H GLY 74 -1.780 6.955 -10.673 567 HA2 GLY 74 2HA GLY 74 -4.350 8.450 -10.771 568 HA3 GLY 74 1HA GLY 74 -4.279 6.785 -10.224 569 H LYS 75 H LYS 75 -1.780 9.081 -9.406 570 HA LYS 75 HA LYS 75 -1.020 9.879 -7.416 571 HB2 LYS 75 2HB LYS 75 -3.335 11.034 -7.633 572 HB3 LYS 75 1HB LYS 75 -3.827 9.940 -6.353 573 HG2 LYS 75 2HG LYS 75 -3.172 11.683 -5.070 574 HG3 LYS 75 1HG LYS 75 -1.594 10.918 -5.257 575 HD2 LYS 75 2HD LYS 75 -1.019 12.404 -7.057 576 HD3 LYS 75 1HD LYS 75 -2.644 13.094 -7.063 577 HE2 LYS 75 2HE LYS 75 -2.275 13.970 -4.804 578 HE3 LYS 75 1HE LYS 75 -0.649 13.277 -4.806 579 HZ1 LYS 75 1HZ LYS 75 0.052 15.149 -5.725 580 HZ2 LYS 75 2HZ LYS 75 -1.531 15.745 -5.874 581 HZ3 LYS 75 3HZ LYS 75 -0.859 14.800 -7.112 582 H CYS 76 H CYS 76 0.122 8.458 -6.319 583 HA CYS 76 HA CYS 76 -1.346 6.219 -5.088 584 HB2 CYS 76 2HB CYS 76 1.611 6.326 -5.686 585 HB3 CYS 76 1HB CYS 76 0.690 4.930 -5.149 586 HG CYS 76 HG CYS 76 -0.896 5.635 -7.754 587 H PHE 77 H PHE 77 -0.366 5.358 -3.107 588 HA PHE 77 HA PHE 77 0.929 7.365 -1.435 589 HB2 PHE 77 2HB PHE 77 -1.652 5.933 -0.755 590 HB3 PHE 77 1HB PHE 77 -0.683 6.836 0.408 591 HD1 PHE 77 1HD PHE 77 -3.391 7.025 -1.802 592 HD2 PHE 77 2HD PHE 77 -0.097 9.275 -0.329 593 HE1 PHE 77 1HE PHE 77 -4.530 9.108 -2.447 594 HE2 PHE 77 2HE PHE 77 -1.226 11.364 -0.966 595 HZ PHE 77 HZ PHE 77 -3.438 11.279 -2.043 596 H PHE 78 H PHE 78 2.682 6.412 -0.707 597 HA PHE 78 HA PHE 78 2.796 3.514 -0.497 598 HB2 PHE 78 2HB PHE 78 4.743 4.774 -1.364 599 HB3 PHE 78 1HB PHE 78 4.900 5.586 0.190 600 HD1 PHE 78 1HD PHE 78 5.218 2.371 -1.564 601 HD2 PHE 78 2HD PHE 78 5.929 4.499 2.049 602 HE1 PHE 78 1HE PHE 78 6.663 0.542 -0.777 603 HE2 PHE 78 2HE PHE 78 7.377 2.674 2.844 604 HZ PHE 78 HZ PHE 78 7.744 0.696 1.431 605 H ILE 79 H ILE 79 1.653 2.787 1.160 606 HA ILE 79 HA ILE 79 1.939 4.151 3.748 607 HB ILE 79 HB ILE 79 -0.126 3.413 4.422 608 HG12 ILE 79 2HG1 ILE 79 0.606 1.035 3.111 609 HG13 ILE 79 1HG1 ILE 79 -0.780 1.292 4.160 610 HG21 ILE 79 1HG2 ILE 79 -0.415 3.772 1.449 611 HG22 ILE 79 2HG2 ILE 79 -0.460 5.031 2.682 612 HG23 ILE 79 3HG2 ILE 79 -1.743 3.823 2.608 613 HD11 ILE 79 1HD1 ILE 79 -2.143 1.844 2.234 614 HD12 ILE 79 2HD1 ILE 79 -1.400 0.255 2.055 615 HD13 ILE 79 3HD1 ILE 79 -0.748 1.638 1.175 616 H HIS 80 H HIS 80 1.860 2.911 5.566 617 HA HIS 80 HA HIS 80 3.215 0.327 5.324 618 HB2 HIS 80 2HB HIS 80 4.750 1.645 6.434 619 HB3 HIS 80 1HB HIS 80 3.515 2.704 7.096 620 HD1 HIS 80 1HD HIS 80 5.069 -0.690 7.708 621 HD2 HIS 80 2HD HIS 80 2.804 2.229 9.596 622 HE1 HIS 80 1HE HIS 80 5.026 -1.348 10.150 623 HE2 HIS 80 2HE HIS 80 3.887 0.594 11.303 624 H TYR 81 H TYR 81 1.610 -1.120 5.470 625 HA TYR 81 HA TYR 81 -0.924 -0.765 6.486 626 HB2 TYR 81 2HB TYR 81 0.741 -3.145 5.867 627 HB3 TYR 81 1HB TYR 81 -0.714 -3.400 6.826 628 HD1 TYR 81 1HD TYR 81 0.255 -4.003 3.752 629 HD2 TYR 81 2HD TYR 81 -2.576 -1.466 5.656 630 HE1 TYR 81 1HE TYR 81 -1.094 -3.973 1.696 631 HE2 TYR 81 2HE TYR 81 -3.932 -1.429 3.605 632 HH TYR 81 HH TYR 81 -3.458 -3.572 1.049 633 H GLN 82 H GLN 82 -1.535 -0.207 8.414 634 HA GLN 82 HA GLN 82 0.014 -0.725 10.768 635 HB2 GLN 82 2HB GLN 82 -2.747 0.419 10.335 636 HB3 GLN 82 1HB GLN 82 -2.060 0.188 11.939 637 HG2 GLN 82 2HG GLN 82 -0.215 1.680 11.372 638 HG3 GLN 82 1HG GLN 82 -0.890 1.906 9.758 639 HE21 GLN 82 1HE2 GLN 82 -2.871 1.651 12.596 640 HE22 GLN 82 2HE2 GLN 82 -3.400 3.293 12.628 641 H GLY 83 H GLY 83 -0.281 -2.246 12.323 642 HA2 GLY 83 2HA GLY 83 -1.324 -4.008 13.443 643 HA3 GLY 83 1HA GLY 83 -2.598 -4.000 12.232 644 H TRP 84 H TRP 84 0.185 -3.952 10.517 645 HA TRP 84 HA TRP 84 0.267 -6.886 10.381 646 HB2 TRP 84 2HB TRP 84 0.548 -4.826 8.198 647 HB3 TRP 84 1HB TRP 84 1.100 -6.483 7.989 648 HD1 TRP 84 HD TRP 84 -1.666 -4.540 6.983 649 HE1 TRP 84 1HE TRP 84 -3.822 -5.921 6.700 650 HE3 TRP 84 3HE TRP 84 -0.297 -8.728 9.596 651 HZ2 TRP 84 2HZ TRP 84 -4.808 -8.444 7.489 652 HZ3 TRP 84 3HZ TRP 84 -1.907 -10.576 9.781 653 HH2 TRP 84 HH TRP 84 -4.117 -10.437 8.748 654 H LYS 85 H LYS 85 2.545 -4.960 8.597 655 HA LYS 85 HA LYS 85 4.638 -4.937 10.523 656 HB2 LYS 85 2HB LYS 85 4.545 -7.373 10.152 657 HB3 LYS 85 1HB LYS 85 4.711 -7.125 8.422 658 HG2 LYS 85 2HG LYS 85 6.819 -7.809 9.204 659 HG3 LYS 85 1HG LYS 85 6.944 -6.080 8.891 660 HD2 LYS 85 2HD LYS 85 7.910 -6.078 10.932 661 HD3 LYS 85 1HD LYS 85 6.233 -6.015 11.472 662 HE2 LYS 85 2HE LYS 85 7.384 -8.699 10.985 663 HE3 LYS 85 1HE LYS 85 7.990 -7.815 12.383 664 HZ1 LYS 85 1HZ LYS 85 5.543 -7.471 12.946 665 HZ2 LYS 85 2HZ LYS 85 6.191 -9.013 13.192 666 HZ3 LYS 85 3HZ LYS 85 5.228 -8.711 11.831 667 H SER 86 H SER 86 6.740 -4.282 9.466 668 HA SER 86 HA SER 86 6.357 -2.203 7.611 669 HB2 SER 86 2HB SER 86 9.068 -3.391 7.888 670 HB3 SER 86 1HB SER 86 8.555 -1.709 8.029 671 HG SER 86 HG SER 86 7.918 -2.053 10.105 672 H SER 87 H SER 87 6.803 -5.567 7.156 673 HA SER 87 HA SER 87 7.919 -5.436 4.521 674 HB2 SER 87 2HB SER 87 6.423 -7.843 5.462 675 HB3 SER 87 1HB SER 87 7.971 -7.745 4.622 676 HG SER 87 HG SER 87 8.998 -7.414 6.485 677 H TRP 88 H TRP 88 4.962 -4.592 5.683 678 HA TRP 88 HA TRP 88 3.502 -5.478 3.298 679 HB2 TRP 88 2HB TRP 88 2.566 -4.449 5.977 680 HB3 TRP 88 1HB TRP 88 1.484 -4.696 4.608 681 HD1 TRP 88 HD TRP 88 3.892 -6.761 6.839 682 HE1 TRP 88 1HE TRP 88 2.983 -9.164 6.975 683 HE3 TRP 88 3HE TRP 88 -0.056 -6.302 3.628 684 HZ2 TRP 88 2HZ TRP 88 0.860 -10.659 5.869 685 HZ3 TRP 88 3HZ TRP 88 -1.477 -8.266 3.219 686 HH2 TRP 88 HH TRP 88 -1.024 -10.400 4.320 687 H ASP 89 H ASP 89 5.357 -3.001 4.164 688 HA ASP 89 HA ASP 89 3.807 -0.717 3.551 689 HB2 ASP 89 2HB ASP 89 6.783 -1.244 3.464 690 HB3 ASP 89 1HB ASP 89 6.090 0.330 3.101 691 H GLU 90 H GLU 90 2.733 -0.620 1.668 692 HA GLU 90 HA GLU 90 4.216 -1.123 -0.824 693 HB2 GLU 90 2HB GLU 90 1.490 -2.151 -0.062 694 HB3 GLU 90 1HB GLU 90 2.002 -2.028 -1.737 695 HG2 GLU 90 2HG GLU 90 3.678 -3.516 0.230 696 HG3 GLU 90 1HG GLU 90 2.242 -4.268 -0.462 697 H TRP 91 H TRP 91 2.417 -0.518 -2.675 698 HA TRP 91 HA TRP 91 1.814 2.314 -2.169 699 HB2 TRP 91 2HB TRP 91 2.432 0.772 -4.683 700 HB3 TRP 91 1HB TRP 91 1.700 2.365 -4.735 701 HD1 TRP 91 HD TRP 91 5.000 0.615 -4.449 702 HE1 TRP 91 1HE TRP 91 6.883 2.360 -4.360 703 HE3 TRP 91 3HE TRP 91 2.202 4.839 -3.669 704 HZ2 TRP 91 2HZ TRP 91 7.151 5.139 -4.004 705 HZ3 TRP 91 3HZ TRP 91 3.379 6.996 -3.452 706 HH2 TRP 91 HH TRP 91 5.798 7.130 -3.606 707 H VAL 92 H VAL 92 -0.247 2.934 -2.112 708 HA VAL 92 HA VAL 92 -2.249 1.242 -3.452 709 HB VAL 92 HB VAL 92 -3.930 2.151 -1.818 710 HG11 VAL 92 1HG1 VAL 92 -1.674 0.509 -0.669 711 HG12 VAL 92 2HG1 VAL 92 -3.044 -0.103 -1.598 712 HG13 VAL 92 3HG1 VAL 92 -3.305 0.620 -0.007 713 HG21 VAL 92 1HG2 VAL 92 -1.457 3.046 -0.345 714 HG22 VAL 92 2HG2 VAL 92 -3.100 3.049 0.303 715 HG23 VAL 92 3HG2 VAL 92 -2.684 4.093 -1.059 716 H GLY 93 H GLY 93 -4.114 2.454 -4.295 717 HA2 GLY 93 2HA GLY 93 -3.323 5.223 -4.974 718 HA3 GLY 93 1HA GLY 93 -4.090 4.140 -6.128 719 H TYR 94 H TYR 94 -5.216 6.575 -5.667 720 HA TYR 94 HA TYR 94 -7.115 6.947 -3.706 721 HB2 TYR 94 2HB TYR 94 -6.746 7.818 -6.483 722 HB3 TYR 94 1HB TYR 94 -8.411 7.893 -5.917 723 HD1 TYR 94 1HD TYR 94 -5.695 9.811 -6.407 724 HD2 TYR 94 2HD TYR 94 -8.399 8.818 -3.293 725 HE1 TYR 94 1HE TYR 94 -5.198 11.942 -5.318 726 HE2 TYR 94 2HE TYR 94 -7.912 10.940 -2.180 727 HH TYR 94 HH TYR 94 -6.393 13.504 -3.681 728 H ASP 95 H ASP 95 -7.044 4.561 -5.978 729 HA ASP 95 HA ASP 95 -9.895 4.094 -6.222 730 HB2 ASP 95 2HB ASP 95 -8.625 3.662 -8.205 731 HB3 ASP 95 1HB ASP 95 -7.470 2.671 -7.325 732 H ARG 96 H ARG 96 -7.173 2.896 -4.395 733 HA ARG 96 HA ARG 96 -8.937 0.810 -3.263 734 HB2 ARG 96 2HB ARG 96 -5.910 0.844 -3.398 735 HB3 ARG 96 1HB ARG 96 -6.894 -0.432 -2.692 736 HG2 ARG 96 2HG ARG 96 -7.374 0.312 -5.527 737 HG3 ARG 96 1HG ARG 96 -5.931 -0.627 -5.127 738 HD2 ARG 96 2HD ARG 96 -8.650 -1.427 -4.139 739 HD3 ARG 96 1HD ARG 96 -8.079 -1.901 -5.739 740 HE ARG 96 HE ARG 96 -6.104 -2.580 -3.892 741 HH11 ARG 96 1HH1 ARG 96 -9.424 -3.480 -4.610 742 HH12 ARG 96 2HH1 ARG 96 -9.204 -5.132 -4.097 743 HH21 ARG 96 1HH2 ARG 96 -5.845 -4.765 -3.217 744 HH22 ARG 96 2HH2 ARG 96 -7.199 -5.850 -3.311 745 H ILE 97 H ILE 97 -7.473 3.733 -2.706 746 HA ILE 97 HA ILE 97 -7.242 3.248 0.169 747 HB ILE 97 HB ILE 97 -5.309 4.299 -1.058 748 HG12 ILE 97 2HG1 ILE 97 -6.623 5.897 1.117 749 HG13 ILE 97 1HG1 ILE 97 -5.585 4.495 1.342 750 HG21 ILE 97 1HG2 ILE 97 -7.196 6.630 -1.200 751 HG22 ILE 97 2HG2 ILE 97 -6.554 5.718 -2.567 752 HG23 ILE 97 3HG2 ILE 97 -5.472 6.679 -1.559 753 HD11 ILE 97 1HD1 ILE 97 -4.504 6.704 1.758 754 HD12 ILE 97 2HD1 ILE 97 -4.685 7.037 0.034 755 HD13 ILE 97 3HD1 ILE 97 -3.690 5.683 0.571 756 H ARG 98 H ARG 98 -8.323 4.467 1.644 757 HA ARG 98 HA ARG 98 -10.452 6.245 0.670 758 HB2 ARG 98 2HB ARG 98 -10.730 4.069 2.765 759 HB3 ARG 98 1HB ARG 98 -11.961 5.266 2.392 760 HG2 ARG 98 2HG ARG 98 -10.947 3.076 0.603 761 HG3 ARG 98 1HG ARG 98 -12.561 3.242 1.302 762 HD2 ARG 98 2HD ARG 98 -12.803 5.370 0.009 763 HD3 ARG 98 1HD ARG 98 -11.271 5.005 -0.777 764 HE ARG 98 HE ARG 98 -13.631 3.246 -0.996 765 HH11 ARG 98 1HH1 ARG 98 -10.864 4.888 -2.381 766 HH12 ARG 98 2HH1 ARG 98 -11.177 4.325 -3.991 767 HH21 ARG 98 1HH2 ARG 98 -14.057 2.514 -3.118 768 HH22 ARG 98 2HH2 ARG 98 -13.003 2.994 -4.420 769 H ALA 99 H ALA 99 -11.452 7.252 2.877 770 HA ALA 99 HA ALA 99 -9.162 8.482 4.186 771 HB1 ALA 99 1HB ALA 99 -10.759 10.227 4.875 772 HB2 ALA 99 2HB ALA 99 -12.056 9.366 4.044 773 HB3 ALA 99 3HB ALA 99 -10.714 10.046 3.121 774 H TYR 100 H TYR 100 -8.705 7.738 6.096 775 HA TYR 100 HA TYR 100 -10.401 5.907 7.445 776 HB2 TYR 100 2HB TYR 100 -7.970 5.804 7.486 777 HB3 TYR 100 1HB TYR 100 -7.916 7.367 8.268 778 HD1 TYR 100 1HD TYR 100 -8.580 3.804 8.661 779 HD2 TYR 100 2HD TYR 100 -8.403 7.535 10.699 780 HE1 TYR 100 1HE TYR 100 -8.588 2.619 10.809 781 HE2 TYR 100 2HE TYR 100 -8.411 6.356 12.860 782 HH TYR 100 HH TYR 100 -8.054 2.905 13.066 783 H ASN 101 H ASN 101 -12.282 6.822 7.968 784 HA ASN 101 HA ASN 101 -12.373 8.527 10.266 785 HB2 ASN 101 2HB ASN 101 -13.928 10.179 9.199 786 HB3 ASN 101 1HB ASN 101 -12.273 10.277 8.610 787 HD21 ASN 101 1HD2 ASN 101 -12.432 10.955 6.591 788 HD22 ASN 101 2HD2 ASN 101 -13.408 10.219 5.364 789 H GLU 102 H GLU 102 -14.909 8.984 10.613 790 HA GLU 102 HA GLU 102 -15.969 6.407 11.093 791 HB2 GLU 102 2HB GLU 102 -17.224 9.128 11.349 792 HB3 GLU 102 1HB GLU 102 -18.009 7.641 11.861 793 HG2 GLU 102 2HG GLU 102 -15.633 9.020 13.020 794 HG3 GLU 102 1HG GLU 102 -17.082 8.416 13.818 795 H GLU 103 H GLU 103 -16.002 8.032 8.184 796 HA GLU 103 HA GLU 103 -18.640 7.021 7.432 797 HB2 GLU 103 2HB GLU 103 -17.800 9.330 6.745 798 HB3 GLU 103 1HB GLU 103 -16.715 8.498 5.638 799 HG2 GLU 103 2HG GLU 103 -19.404 7.524 5.350 800 HG3 GLU 103 1HG GLU 103 -19.347 9.275 5.174 801 H ASN 104 H ASN 104 -15.255 6.725 6.394 802 HA ASN 104 HA ASN 104 -15.861 4.579 4.570 803 HB2 ASN 104 2HB ASN 104 -13.356 5.960 5.459 804 HB3 ASN 104 1HB ASN 104 -13.242 4.418 4.624 805 HD21 ASN 104 1HD2 ASN 104 -15.446 4.779 2.889 806 HD22 ASN 104 2HD2 ASN 104 -15.023 6.002 1.751 807 H ILE 105 H ILE 105 -14.598 4.949 7.803 808 HA ILE 105 HA ILE 105 -13.765 2.266 8.178 809 HB ILE 105 HB ILE 105 -14.543 4.422 10.082 810 HG12 ILE 105 2HG1 ILE 105 -11.859 3.230 9.388 811 HG13 ILE 105 1HG1 ILE 105 -12.487 4.751 8.753 812 HG21 ILE 105 1HG2 ILE 105 -13.587 3.080 11.880 813 HG22 ILE 105 2HG2 ILE 105 -13.349 1.748 10.753 814 HG23 ILE 105 3HG2 ILE 105 -14.979 2.281 11.151 815 HD11 ILE 105 1HD1 ILE 105 -10.928 5.076 10.583 816 HD12 ILE 105 2HD1 ILE 105 -11.995 4.151 11.638 817 HD13 ILE 105 3HD1 ILE 105 -12.539 5.683 10.959 818 H ALA 106 H ALA 106 -16.775 3.969 8.387 819 HA ALA 106 HA ALA 106 -18.242 2.207 9.980 820 HB1 ALA 106 1HB ALA 106 -19.204 3.923 7.698 821 HB2 ALA 106 2HB ALA 106 -19.039 4.431 9.381 822 HB3 ALA 106 3HB ALA 106 -20.216 3.197 8.945 823 H MET 107 H MET 107 -17.291 2.174 6.625 824 HA MET 107 HA MET 107 -18.975 -0.056 5.958 825 HB2 MET 107 2HB MET 107 -17.753 1.710 4.344 826 HB3 MET 107 1HB MET 107 -16.507 0.468 4.367 827 HG2 MET 107 2HG MET 107 -18.355 0.450 2.543 828 HG3 MET 107 1HG MET 107 -17.790 -1.051 3.273 829 HE1 MET 107 1HE MET 107 -19.779 -2.469 2.601 830 HE2 MET 107 2HE MET 107 -21.044 -2.663 3.815 831 HE3 MET 107 3HE MET 107 -19.346 -2.779 4.280 832 H LYS 108 H LYS 108 -15.548 0.454 6.759 833 HA LYS 108 HA LYS 108 -14.565 -2.100 6.500 834 HB2 LYS 108 2HB LYS 108 -13.240 -0.048 7.037 835 HB3 LYS 108 1HB LYS 108 -13.837 -0.140 8.689 836 HG2 LYS 108 2HG LYS 108 -12.764 -2.673 8.021 837 HG3 LYS 108 1HG LYS 108 -11.599 -1.442 7.532 838 HD2 LYS 108 2HD LYS 108 -12.874 -1.258 10.227 839 HD3 LYS 108 1HD LYS 108 -11.571 -2.416 9.967 840 HE2 LYS 108 2HE LYS 108 -10.176 -0.531 9.096 841 HE3 LYS 108 1HE LYS 108 -11.463 0.570 9.579 842 HZ1 LYS 108 1HZ LYS 108 -11.189 -0.105 11.860 843 HZ2 LYS 108 2HZ LYS 108 -9.680 0.380 11.247 844 HZ3 LYS 108 3HZ LYS 108 -10.027 -1.260 11.422 845 H LYS 109 H LYS 109 -16.266 -0.662 9.238 846 HA LYS 109 HA LYS 109 -16.084 -2.868 11.007 847 HB2 LYS 109 2HB LYS 109 -18.365 -0.880 10.828 848 HB3 LYS 109 1HB LYS 109 -17.953 -1.873 12.215 849 HG2 LYS 109 2HG LYS 109 -16.256 0.320 11.067 850 HG3 LYS 109 1HG LYS 109 -17.254 0.436 12.516 851 HD2 LYS 109 2HD LYS 109 -15.656 -1.832 12.880 852 HD3 LYS 109 1HD LYS 109 -14.583 -0.606 12.202 853 HE2 LYS 109 2HE LYS 109 -15.277 0.969 13.932 854 HE3 LYS 109 1HE LYS 109 -16.374 -0.236 14.603 855 HZ1 LYS 109 1HZ LYS 109 -14.464 -1.653 15.079 856 HZ2 LYS 109 2HZ LYS 109 -14.312 -0.150 15.854 857 HZ3 LYS 109 3HZ LYS 109 -13.415 -0.477 14.452 858 H ARG 110 H ARG 110 -18.575 -1.896 8.713 859 HA ARG 110 HA ARG 110 -20.243 -4.165 9.091 860 HB2 ARG 110 2HB ARG 110 -20.858 -1.895 8.069 861 HB3 ARG 110 1HB ARG 110 -20.056 -2.443 6.613 862 HG2 ARG 110 2HG ARG 110 -22.536 -2.708 6.615 863 HG3 ARG 110 1HG ARG 110 -21.628 -4.184 6.288 864 HD2 ARG 110 2HD ARG 110 -22.030 -5.023 8.450 865 HD3 ARG 110 1HD ARG 110 -22.607 -3.460 9.033 866 HE ARG 110 HE ARG 110 -24.613 -3.779 7.762 867 HH11 ARG 110 1HH1 ARG 110 -22.522 -6.575 7.918 868 HH12 ARG 110 2HH1 ARG 110 -23.775 -7.706 7.514 869 HH21 ARG 110 1HH2 ARG 110 -26.269 -5.224 7.271 870 HH22 ARG 110 2HH2 ARG 110 -25.940 -6.931 7.172 871 H LEU 111 H LEU 111 -17.491 -3.434 7.224 872 HA LEU 111 HA LEU 111 -17.679 -5.494 5.286 873 HB2 LEU 111 2HB LEU 111 -15.775 -3.401 6.109 874 HB3 LEU 111 1HB LEU 111 -15.087 -4.749 5.247 875 HG LEU 111 HG LEU 111 -17.495 -3.403 4.230 876 HD11 LEU 111 1HD1 LEU 111 -15.899 -1.603 4.595 877 HD12 LEU 111 2HD1 LEU 111 -16.060 -1.920 2.868 878 HD13 LEU 111 3HD1 LEU 111 -14.656 -2.525 3.751 879 HD21 LEU 111 1HD2 LEU 111 -16.902 -5.433 3.166 880 HD22 LEU 111 2HD2 LEU 111 -15.276 -4.819 2.861 881 HD23 LEU 111 3HD2 LEU 111 -16.666 -4.072 2.073 882 H ALA 112 H ALA 112 -15.868 -5.146 8.323 883 HA ALA 112 HA ALA 112 -14.612 -7.681 7.996 884 HB1 ALA 112 1HB ALA 112 -14.991 -6.058 10.514 885 HB2 ALA 112 2HB ALA 112 -13.630 -5.932 9.405 886 HB3 ALA 112 3HB ALA 112 -13.887 -7.420 10.314 887 H ASN 113 H ASN 113 -17.692 -6.681 8.770 888 HA ASN 113 HA ASN 113 -18.342 -9.162 10.151 889 HB2 ASN 113 2HB ASN 113 -19.669 -6.516 9.818 890 HB3 ASN 113 1HB ASN 113 -20.704 -7.930 10.019 891 HD21 ASN 113 1HD2 ASN 113 -18.440 -5.789 11.529 892 HD22 ASN 113 2HD2 ASN 113 -18.618 -6.415 13.138 893 H GLU 114 H GLU 114 -18.993 -7.343 7.202 894 HA GLU 114 HA GLU 114 -20.840 -9.203 6.094 895 HB2 GLU 114 2HB GLU 114 -19.372 -6.808 5.110 896 HB3 GLU 114 1HB GLU 114 -20.016 -7.919 3.911 897 HG2 GLU 114 2HG GLU 114 -22.177 -7.641 5.468 898 HG3 GLU 114 1HG GLU 114 -21.412 -6.075 5.736 899 H ALA 115 H ALA 115 -17.330 -8.641 5.665 900 HA ALA 115 HA ALA 115 -17.122 -10.713 3.674 901 HB1 ALA 115 1HB ALA 115 -15.486 -8.912 3.796 902 HB2 ALA 115 2HB ALA 115 -14.707 -10.484 3.967 903 HB3 ALA 115 3HB ALA 115 -14.975 -9.472 5.386 904 H LYS 116 H LYS 116 -17.672 -10.743 6.906 905 HA LYS 116 HA LYS 116 -16.391 -13.326 7.378 906 HB2 LYS 116 2HB LYS 116 -15.968 -12.508 9.409 907 HB3 LYS 116 1HB LYS 116 -16.624 -10.974 8.866 908 HG2 LYS 116 2HG LYS 116 -18.781 -11.513 9.760 909 HG3 LYS 116 1HG LYS 116 -18.257 -13.151 10.162 910 HD2 LYS 116 2HD LYS 116 -16.825 -12.390 11.869 911 HD3 LYS 116 1HD LYS 116 -16.873 -10.728 11.283 912 HE2 LYS 116 2HE LYS 116 -18.229 -10.708 13.185 913 HE3 LYS 116 1HE LYS 116 -19.367 -10.794 11.842 914 HZ1 LYS 116 1HZ LYS 116 -18.520 -13.002 13.634 915 HZ2 LYS 116 2HZ LYS 116 -19.400 -13.253 12.207 916 HZ3 LYS 116 3HZ LYS 116 -20.070 -12.338 13.465 917 H GLU 117 H GLU 117 -19.411 -11.894 6.698 918 HA GLU 117 HA GLU 117 -20.823 -14.334 7.557 919 HB2 GLU 117 2HB GLU 117 -22.836 -13.025 7.794 920 HB3 GLU 117 1HB GLU 117 -21.556 -12.263 8.723 921 HG2 GLU 117 2HG GLU 117 -21.363 -10.478 7.238 922 HG3 GLU 117 1HG GLU 117 -22.169 -11.351 5.936 923 H ALA 118 H ALA 118 -19.368 -13.634 5.018 924 HA ALA 118 HA ALA 118 -20.971 -13.073 2.869 925 HB1 ALA 118 1HB ALA 118 -19.392 -14.317 1.501 926 HB2 ALA 118 2HB ALA 118 -18.773 -15.140 2.932 927 HB3 ALA 118 3HB ALA 118 -18.533 -13.404 2.744 928 H LYS 119 H LYS 119 -22.547 -14.049 1.769 929 HA LYS 119 HA LYS 119 -23.632 -16.507 2.855 930 HB2 LYS 119 2HB LYS 119 -25.388 -16.039 0.980 931 HB3 LYS 119 1HB LYS 119 -25.364 -15.040 2.424 932 HG2 LYS 119 2HG LYS 119 -23.632 -13.904 0.450 933 HG3 LYS 119 1HG LYS 119 -25.217 -14.218 -0.253 934 HD2 LYS 119 2HD LYS 119 -24.797 -12.764 2.353 935 HD3 LYS 119 1HD LYS 119 -24.957 -11.955 0.795 936 HE2 LYS 119 2HE LYS 119 -27.021 -13.845 1.900 937 HE3 LYS 119 1HE LYS 119 -27.059 -12.103 2.171 938 HZ1 LYS 119 1HZ LYS 119 -27.103 -11.816 -0.268 939 HZ2 LYS 119 2HZ LYS 119 -28.458 -12.644 0.328 940 HZ3 LYS 119 3HZ LYS 119 -27.214 -13.497 -0.449 941 H LYS 120 H LYS 120 -23.469 -18.425 2.041 942 HA LYS 120 HA LYS 120 -23.382 -20.092 0.406 943 HB2 LYS 120 2HB LYS 120 -22.293 -17.884 -1.240 944 HB3 LYS 120 1HB LYS 120 -21.631 -19.480 -1.568 945 HG2 LYS 120 2HG LYS 120 -24.499 -19.599 -1.358 946 HG3 LYS 120 1HG LYS 120 -24.004 -18.389 -2.547 947 HD2 LYS 120 2HD LYS 120 -24.239 -20.478 -3.687 948 HD3 LYS 120 1HD LYS 120 -22.516 -20.133 -3.561 949 HE2 LYS 120 2HE LYS 120 -22.796 -22.429 -3.031 950 HE3 LYS 120 1HE LYS 120 -22.475 -21.582 -1.514 951 HZ1 LYS 120 1HZ LYS 120 -24.508 -22.049 -0.728 952 HZ2 LYS 120 2HZ LYS 120 -24.481 -23.305 -1.868 953 HZ3 LYS 120 3HZ LYS 120 -25.276 -21.848 -2.227 Start of MODEL 14 1 H MET 1 1HT MET 1 -14.700 20.200 5.046 2 HA MET 1 HA MET 1 -14.417 17.962 5.853 3 HB2 MET 1 2HB MET 1 -16.812 17.460 6.160 4 HB3 MET 1 1HB MET 1 -17.031 17.439 4.417 5 HG2 MET 1 2HG MET 1 -16.922 15.193 5.144 6 HG3 MET 1 1HG MET 1 -15.409 15.546 4.314 7 HE1 MET 1 1HE MET 1 -14.463 12.979 7.160 8 HE2 MET 1 2HE MET 1 -14.333 13.309 5.431 9 HE3 MET 1 3HE MET 1 -15.917 13.045 6.163 10 H VAL 2 H VAL 2 -12.624 18.081 4.542 11 HA VAL 2 HA VAL 2 -13.084 17.647 1.677 12 HB VAL 2 HB VAL 2 -10.579 18.256 1.536 13 HG11 VAL 2 1HG1 VAL 2 -12.380 19.592 0.599 14 HG12 VAL 2 2HG1 VAL 2 -11.141 20.625 1.314 15 HG13 VAL 2 3HG1 VAL 2 -12.659 20.342 2.170 16 HG21 VAL 2 1HG2 VAL 2 -10.081 18.244 3.912 17 HG22 VAL 2 2HG2 VAL 2 -11.296 19.491 4.196 18 HG23 VAL 2 3HG2 VAL 2 -9.848 19.866 3.259 19 H ASP 3 H ASP 3 -13.061 15.611 1.214 20 HA ASP 3 HA ASP 3 -10.907 13.923 2.290 21 HB2 ASP 3 2HB ASP 3 -12.398 12.007 2.143 22 HB3 ASP 3 1HB ASP 3 -13.168 13.262 3.102 23 H LEU 4 H LEU 4 -11.488 15.639 -0.158 24 HA LEU 4 HA LEU 4 -10.959 13.656 -2.253 25 HB2 LEU 4 2HB LEU 4 -11.485 15.602 -3.785 26 HB3 LEU 4 1HB LEU 4 -12.822 14.976 -2.836 27 HG LEU 4 HG LEU 4 -11.866 16.968 -1.211 28 HD11 LEU 4 1HD1 LEU 4 -10.312 17.705 -2.954 29 HD12 LEU 4 2HD1 LEU 4 -11.522 18.928 -2.573 30 HD13 LEU 4 3HD1 LEU 4 -11.677 17.965 -4.043 31 HD21 LEU 4 1HD2 LEU 4 -13.989 17.140 -3.341 32 HD22 LEU 4 2HD2 LEU 4 -13.820 18.241 -1.973 33 HD23 LEU 4 3HD2 LEU 4 -14.195 16.540 -1.695 34 H GLU 5 H GLU 5 -9.333 15.724 -0.253 35 HA GLU 5 HA GLU 5 -7.011 15.751 -2.010 36 HB2 GLU 5 2HB GLU 5 -6.675 18.096 -1.960 37 HB3 GLU 5 1HB GLU 5 -8.366 17.869 -2.390 38 HG2 GLU 5 2HG GLU 5 -8.944 18.221 0.019 39 HG3 GLU 5 1HG GLU 5 -7.258 18.640 0.302 40 H GLN 6 H GLN 6 -8.328 15.619 1.153 41 HA GLN 6 HA GLN 6 -5.636 15.964 2.257 42 HB2 GLN 6 2HB GLN 6 -7.414 17.824 2.737 43 HB3 GLN 6 1HB GLN 6 -8.075 16.644 3.858 44 HG2 GLN 6 2HG GLN 6 -5.800 16.523 4.910 45 HG3 GLN 6 1HG GLN 6 -5.354 17.909 3.914 46 HE21 GLN 6 1HE2 GLN 6 -7.236 16.780 6.592 47 HE22 GLN 6 2HE2 GLN 6 -7.703 18.344 7.185 48 H GLU 7 H GLU 7 -5.245 14.761 4.160 49 HA GLU 7 HA GLU 7 -5.423 13.069 5.697 50 HB2 GLU 7 2HB GLU 7 -7.896 12.017 4.342 51 HB3 GLU 7 1HB GLU 7 -7.332 11.707 5.979 52 HG2 GLU 7 2HG GLU 7 -8.298 14.346 4.931 53 HG3 GLU 7 1HG GLU 7 -9.246 13.225 5.906 54 H PHE 8 H PHE 8 -5.269 13.032 2.451 55 HA PHE 8 HA PHE 8 -4.159 10.317 2.293 56 HB2 PHE 8 2HB PHE 8 -5.085 11.991 -0.057 57 HB3 PHE 8 1HB PHE 8 -4.649 10.299 -0.056 58 HD1 PHE 8 1HD PHE 8 -6.370 8.784 -0.267 59 HD2 PHE 8 2HD PHE 8 -7.126 12.532 1.579 60 HE1 PHE 8 1HE PHE 8 -8.764 8.221 -0.108 61 HE2 PHE 8 2HE PHE 8 -9.507 11.982 1.744 62 HZ PHE 8 HZ PHE 8 -10.332 9.846 0.899 63 H ALA 9 H ALA 9 -2.566 11.856 3.433 64 HA ALA 9 HA ALA 9 -0.765 12.855 1.442 65 HB1 ALA 9 1HB ALA 9 -1.828 14.581 3.674 66 HB2 ALA 9 2HB ALA 9 -2.246 14.736 1.970 67 HB3 ALA 9 3HB ALA 9 -0.592 15.045 2.499 68 H LEU 10 H LEU 10 0.742 14.280 3.290 69 HA LEU 10 HA LEU 10 2.577 12.380 4.075 70 HB2 LEU 10 2HB LEU 10 2.105 15.228 4.754 71 HB3 LEU 10 1HB LEU 10 3.332 14.335 5.631 72 HG LEU 10 HG LEU 10 4.249 13.735 3.264 73 HD11 LEU 10 1HD1 LEU 10 2.646 16.208 2.644 74 HD12 LEU 10 2HD1 LEU 10 2.331 14.588 2.019 75 HD13 LEU 10 3HD1 LEU 10 3.816 15.434 1.578 76 HD21 LEU 10 1HD2 LEU 10 5.571 15.819 3.235 77 HD22 LEU 10 2HD2 LEU 10 5.456 15.109 4.846 78 HD23 LEU 10 3HD2 LEU 10 4.468 16.509 4.428 79 H GLY 11 H GLY 11 2.120 10.754 5.422 80 HA2 GLY 11 2HA GLY 11 1.863 9.690 7.432 81 HA3 GLY 11 1HA GLY 11 1.973 11.257 8.218 82 H GLY 12 H GLY 12 -0.364 10.879 5.763 83 HA2 GLY 12 2HA GLY 12 -2.490 11.451 7.587 84 HA3 GLY 12 1HA GLY 12 -2.644 11.152 5.861 85 H ARG 13 H ARG 13 -4.128 10.200 8.254 86 HA ARG 13 HA ARG 13 -3.663 7.344 8.267 87 HB2 ARG 13 2HB ARG 13 -5.048 9.253 9.940 88 HB3 ARG 13 1HB ARG 13 -6.128 7.935 9.507 89 HG2 ARG 13 2HG ARG 13 -5.075 7.374 11.566 90 HG3 ARG 13 1HG ARG 13 -4.380 6.343 10.314 91 HD2 ARG 13 2HD ARG 13 -2.332 7.171 10.634 92 HD3 ARG 13 1HD ARG 13 -2.917 8.834 10.627 93 HE ARG 13 HE ARG 13 -3.592 8.321 13.034 94 HH11 ARG 13 1HH1 ARG 13 -0.865 6.789 11.473 95 HH12 ARG 13 2HH1 ARG 13 0.045 6.606 12.939 96 HH21 ARG 13 1HH2 ARG 13 -2.425 8.078 14.962 97 HH22 ARG 13 2HH2 ARG 13 -0.854 7.339 14.941 98 H CYS 14 H CYS 14 -4.406 6.157 6.640 99 HA CYS 14 HA CYS 14 -6.995 6.898 5.461 100 HB2 CYS 14 2HB CYS 14 -4.369 6.617 4.115 101 HB3 CYS 14 1HB CYS 14 -5.764 5.934 3.288 102 HG CYS 14 HG CYS 14 -5.462 9.201 4.271 103 H LEU 15 H LEU 15 -7.991 5.200 4.261 104 HA LEU 15 HA LEU 15 -7.343 2.530 5.328 105 HB2 LEU 15 2HB LEU 15 -9.913 3.760 4.338 106 HB3 LEU 15 1HB LEU 15 -9.723 2.030 4.559 107 HG LEU 15 HG LEU 15 -9.380 4.065 6.764 108 HD11 LEU 15 1HD1 LEU 15 -11.678 4.065 6.003 109 HD12 LEU 15 2HD1 LEU 15 -11.555 3.258 7.567 110 HD13 LEU 15 3HD1 LEU 15 -11.731 2.306 6.092 111 HD21 LEU 15 1HD2 LEU 15 -8.157 1.958 7.082 112 HD22 LEU 15 2HD2 LEU 15 -9.663 1.067 6.863 113 HD23 LEU 15 3HD2 LEU 15 -9.474 2.150 8.241 114 H ALA 16 H ALA 16 -7.303 0.781 3.778 115 HA ALA 16 HA ALA 16 -7.328 1.688 1.003 116 HB1 ALA 16 1HB ALA 16 -5.017 1.905 1.697 117 HB2 ALA 16 2HB ALA 16 -5.191 0.608 0.517 118 HB3 ALA 16 3HB ALA 16 -4.997 0.221 2.227 119 H PHE 17 H PHE 17 -7.883 0.175 -0.467 120 HA PHE 17 HA PHE 17 -9.186 -2.140 0.671 121 HB2 PHE 17 2HB PHE 17 -9.410 -0.585 -1.823 122 HB3 PHE 17 1HB PHE 17 -9.688 -2.318 -1.986 123 HD1 PHE 17 1HD PHE 17 -11.017 0.823 -0.820 124 HD2 PHE 17 2HD PHE 17 -11.430 -3.408 -0.595 125 HE1 PHE 17 1HE PHE 17 -13.314 1.091 0.035 126 HE2 PHE 17 2HE PHE 17 -13.721 -3.151 0.250 127 HZ PHE 17 HZ PHE 17 -14.666 -0.892 0.565 128 H HIS 18 H HIS 18 -7.869 -3.724 1.105 129 HA HIS 18 HA HIS 18 -6.091 -4.690 -1.035 130 HB2 HIS 18 2HB HIS 18 -5.102 -3.899 1.282 131 HB3 HIS 18 1HB HIS 18 -5.696 -5.460 1.839 132 HD2 HIS 18 2HD HIS 18 -4.674 -7.632 0.013 133 HE1 HIS 18 1HE HIS 18 -1.037 -5.507 -0.423 134 HE2 HIS 18 2HE HIS 18 -2.264 -7.665 -0.952 135 H GLY 19 H GLY 19 -6.768 -6.525 -1.907 136 HA2 GLY 19 2HA GLY 19 -7.780 -8.586 -2.117 137 HA3 GLY 19 1HA GLY 19 -7.844 -8.663 -0.358 138 HA PRO 20 HA PRO 20 -12.159 -7.809 -1.126 139 HB2 PRO 20 2HB PRO 20 -13.010 -9.107 1.116 140 HB3 PRO 20 1HB PRO 20 -12.593 -9.916 -0.394 141 HG2 PRO 20 2HG PRO 20 -11.230 -10.036 2.144 142 HG3 PRO 20 1HG PRO 20 -10.857 -10.923 0.657 143 HD2 PRO 20 2HD PRO 20 -9.633 -8.463 1.738 144 HD3 PRO 20 1HD PRO 20 -8.978 -9.633 0.574 145 H LEU 21 H LEU 21 -10.261 -6.499 1.437 146 HA LEU 21 HA LEU 21 -12.608 -4.924 2.239 147 HB2 LEU 21 2HB LEU 21 -10.841 -6.493 4.083 148 HB3 LEU 21 1HB LEU 21 -11.776 -5.125 4.645 149 HG LEU 21 HG LEU 21 -12.897 -7.656 3.444 150 HD11 LEU 21 1HD1 LEU 21 -13.768 -8.016 5.694 151 HD12 LEU 21 2HD1 LEU 21 -12.959 -6.550 6.245 152 HD13 LEU 21 3HD1 LEU 21 -12.004 -7.927 5.698 153 HD21 LEU 21 1HD2 LEU 21 -14.304 -5.246 4.587 154 HD22 LEU 21 2HD2 LEU 21 -15.075 -6.736 4.046 155 HD23 LEU 21 3HD2 LEU 21 -14.255 -5.692 2.884 156 H MET 22 H MET 22 -11.890 -3.399 4.055 157 HA MET 22 HA MET 22 -9.785 -1.685 3.008 158 HB2 MET 22 2HB MET 22 -12.360 -1.297 4.296 159 HB3 MET 22 1HB MET 22 -11.100 -0.461 5.199 160 HG2 MET 22 2HG MET 22 -10.430 0.733 3.188 161 HG3 MET 22 1HG MET 22 -11.644 -0.134 2.251 162 HE1 MET 22 1HE MET 22 -14.232 0.240 2.457 163 HE2 MET 22 2HE MET 22 -14.991 1.256 3.685 164 HE3 MET 22 3HE MET 22 -14.147 -0.220 4.156 165 H TYR 23 H TYR 23 -8.090 -0.953 4.355 166 HA TYR 23 HA TYR 23 -7.924 -2.141 7.037 167 HB2 TYR 23 2HB TYR 23 -5.837 -2.462 4.873 168 HB3 TYR 23 1HB TYR 23 -5.515 -2.746 6.579 169 HD1 TYR 23 1HD TYR 23 -6.763 -4.157 3.532 170 HD2 TYR 23 2HD TYR 23 -6.901 -4.526 7.769 171 HE1 TYR 23 1HE TYR 23 -7.575 -6.467 3.299 172 HE2 TYR 23 2HE TYR 23 -7.708 -6.837 7.548 173 HH TYR 23 HH TYR 23 -8.936 -8.203 5.820 174 H GLU 24 H GLU 24 -6.627 -1.017 8.503 175 HA GLU 24 HA GLU 24 -6.383 1.774 8.115 176 HB2 GLU 24 2HB GLU 24 -5.182 -0.034 10.222 177 HB3 GLU 24 1HB GLU 24 -5.166 1.722 10.293 178 HG2 GLU 24 2HG GLU 24 -6.990 1.379 11.559 179 HG3 GLU 24 1HG GLU 24 -7.786 1.346 9.987 180 H ALA 25 H ALA 25 -4.766 2.953 7.303 181 HA ALA 25 HA ALA 25 -2.096 1.773 7.166 182 HB1 ALA 25 1HB ALA 25 -3.193 1.193 5.072 183 HB2 ALA 25 2HB ALA 25 -1.869 2.329 4.810 184 HB3 ALA 25 3HB ALA 25 -3.539 2.897 4.777 185 H LYS 26 H LYS 26 -0.443 3.172 7.230 186 HA LYS 26 HA LYS 26 -1.085 6.030 7.557 187 HB2 LYS 26 2HB LYS 26 -0.021 4.973 9.512 188 HB3 LYS 26 1HB LYS 26 1.316 4.441 8.502 189 HG2 LYS 26 2HG LYS 26 1.521 7.011 7.990 190 HG3 LYS 26 1HG LYS 26 0.678 7.152 9.534 191 HD2 LYS 26 2HD LYS 26 2.402 5.821 10.615 192 HD3 LYS 26 1HD LYS 26 3.228 5.611 9.071 193 HE2 LYS 26 2HE LYS 26 4.431 7.357 9.910 194 HE3 LYS 26 1HE LYS 26 3.159 8.246 9.075 195 HZ1 LYS 26 1HZ LYS 26 3.795 8.754 11.558 196 HZ2 LYS 26 2HZ LYS 26 2.694 7.498 11.866 197 HZ3 LYS 26 3HZ LYS 26 2.196 8.879 11.020 198 H ILE 27 H ILE 27 -0.651 7.212 5.832 199 HA ILE 27 HA ILE 27 0.904 6.234 3.663 200 HB ILE 27 HB ILE 27 0.049 9.094 4.083 201 HG12 ILE 27 2HG1 ILE 27 -1.522 6.948 2.651 202 HG13 ILE 27 1HG1 ILE 27 -1.810 7.364 4.334 203 HG21 ILE 27 1HG2 ILE 27 0.065 9.162 1.637 204 HG22 ILE 27 2HG2 ILE 27 0.578 7.476 1.592 205 HG23 ILE 27 3HG2 ILE 27 1.648 8.706 2.270 206 HD11 ILE 27 1HD1 ILE 27 -3.404 8.457 2.905 207 HD12 ILE 27 2HD1 ILE 27 -2.101 9.190 1.970 208 HD13 ILE 27 3HD1 ILE 27 -2.347 9.655 3.654 209 H LEU 28 H LEU 28 2.970 6.120 3.526 210 HA LEU 28 HA LEU 28 4.602 7.943 5.119 211 HB2 LEU 28 2HB LEU 28 4.729 5.225 4.761 212 HB3 LEU 28 1HB LEU 28 5.964 5.813 3.661 213 HG LEU 28 HG LEU 28 6.650 7.247 5.759 214 HD11 LEU 28 1HD1 LEU 28 5.322 4.823 6.962 215 HD12 LEU 28 2HD1 LEU 28 4.853 6.509 7.198 216 HD13 LEU 28 3HD1 LEU 28 6.394 5.925 7.824 217 HD21 LEU 28 1HD2 LEU 28 8.053 5.638 4.535 218 HD22 LEU 28 2HD2 LEU 28 7.338 4.327 5.473 219 HD23 LEU 28 3HD2 LEU 28 8.310 5.556 6.278 220 H LYS 29 H LYS 29 3.704 7.199 1.874 221 HA LYS 29 HA LYS 29 5.369 9.404 0.932 222 HB2 LYS 29 2HB LYS 29 5.333 6.747 -0.508 223 HB3 LYS 29 1HB LYS 29 6.205 8.189 -0.997 224 HG2 LYS 29 2HG LYS 29 7.548 7.978 1.102 225 HG3 LYS 29 1HG LYS 29 6.762 6.420 1.367 226 HD2 LYS 29 2HD LYS 29 7.583 5.727 -0.898 227 HD3 LYS 29 1HD LYS 29 8.519 7.223 -0.946 228 HE2 LYS 29 2HE LYS 29 9.570 6.503 1.219 229 HE3 LYS 29 1HE LYS 29 8.787 4.938 0.991 230 HZ1 LYS 29 1HZ LYS 29 9.972 5.209 -1.369 231 HZ2 LYS 29 2HZ LYS 29 10.736 4.489 -0.032 232 HZ3 LYS 29 3HZ LYS 29 11.056 6.106 -0.418 233 H ILE 30 H ILE 30 4.348 10.627 -0.514 234 HA ILE 30 HA ILE 30 1.779 9.656 -1.589 235 HB ILE 30 HB ILE 30 2.809 12.469 -1.143 236 HG12 ILE 30 2HG1 ILE 30 0.604 12.630 0.122 237 HG13 ILE 30 1HG1 ILE 30 0.495 10.882 -0.041 238 HG21 ILE 30 1HG2 ILE 30 0.269 11.658 -2.534 239 HG22 ILE 30 2HG2 ILE 30 1.686 12.362 -3.313 240 HG23 ILE 30 3HG2 ILE 30 0.759 13.305 -2.143 241 HD11 ILE 30 1HD1 ILE 30 2.655 12.406 1.378 242 HD12 ILE 30 2HD1 ILE 30 2.587 10.653 1.194 243 HD13 ILE 30 3HD1 ILE 30 1.345 11.494 2.122 244 H TRP 31 H TRP 31 1.435 9.658 -3.821 245 HA TRP 31 HA TRP 31 3.932 10.065 -5.332 246 HB2 TRP 31 2HB TRP 31 3.324 7.773 -5.283 247 HB3 TRP 31 1HB TRP 31 1.658 8.146 -5.726 248 HD1 TRP 31 HD TRP 31 1.132 8.400 -8.262 249 HE1 TRP 31 1HE TRP 31 2.518 8.042 -10.417 250 HE3 TRP 31 3HE TRP 31 5.694 8.202 -6.123 251 HZ2 TRP 31 2HZ TRP 31 5.247 7.729 -11.065 252 HZ3 TRP 31 3HZ TRP 31 7.665 7.878 -7.564 253 HH2 TRP 31 HH TRP 31 7.428 7.643 -9.969 254 H ASP 32 H ASP 32 3.959 11.475 -6.934 255 HA ASP 32 HA ASP 32 1.424 12.602 -7.917 256 HB2 ASP 32 2HB ASP 32 2.742 14.361 -7.059 257 HB3 ASP 32 1HB ASP 32 4.221 13.707 -7.760 258 HA PRO 33 HA PRO 33 2.502 10.180 -11.544 259 HB2 PRO 33 2HB PRO 33 0.116 10.399 -12.760 260 HB3 PRO 33 1HB PRO 33 0.362 9.351 -11.361 261 HG2 PRO 33 2HG PRO 33 -0.831 12.096 -11.479 262 HG3 PRO 33 1HG PRO 33 -1.396 10.668 -10.588 263 HD2 PRO 33 2HD PRO 33 0.035 12.677 -9.428 264 HD3 PRO 33 1HD PRO 33 0.095 10.993 -8.874 265 H SER 34 H SER 34 2.089 13.485 -11.300 266 HA SER 34 HA SER 34 1.963 13.997 -14.153 267 HB2 SER 34 2HB SER 34 2.144 15.821 -11.755 268 HB3 SER 34 1HB SER 34 2.158 16.408 -13.417 269 HG SER 34 HG SER 34 0.086 16.162 -13.481 270 H SER 35 H SER 35 4.363 13.888 -11.622 271 HA SER 35 HA SER 35 6.381 14.740 -13.591 272 HB2 SER 35 2HB SER 35 6.914 14.752 -10.645 273 HB3 SER 35 1HB SER 35 7.607 15.768 -11.911 274 HG SER 35 HG SER 35 4.979 15.904 -10.812 275 H LYS 36 H LYS 36 5.474 12.448 -11.132 276 HA LYS 36 HA LYS 36 5.784 10.220 -11.100 277 HB2 LYS 36 2HB LYS 36 6.660 10.490 -13.554 278 HB3 LYS 36 1HB LYS 36 8.222 10.196 -12.786 279 HG2 LYS 36 2HG LYS 36 7.654 8.091 -12.123 280 HG3 LYS 36 1HG LYS 36 5.925 8.444 -12.125 281 HD2 LYS 36 2HD LYS 36 5.908 7.315 -14.066 282 HD3 LYS 36 1HD LYS 36 6.563 8.807 -14.745 283 HE2 LYS 36 2HE LYS 36 8.837 7.947 -14.358 284 HE3 LYS 36 1HE LYS 36 8.141 6.433 -13.779 285 HZ1 LYS 36 1HZ LYS 36 8.820 6.351 -16.131 286 HZ2 LYS 36 2HZ LYS 36 7.689 7.563 -16.490 287 HZ3 LYS 36 3HZ LYS 36 7.164 6.053 -15.918 288 H MET 37 H MET 37 6.658 12.066 -9.420 289 HA MET 37 HA MET 37 8.852 10.736 -8.129 290 HB2 MET 37 2HB MET 37 8.778 13.207 -6.954 291 HB3 MET 37 1HB MET 37 9.908 12.749 -8.218 292 HG2 MET 37 2HG MET 37 7.413 13.667 -9.330 293 HG3 MET 37 1HG MET 37 8.119 14.865 -8.246 294 HE1 MET 37 1HE MET 37 11.068 14.951 -8.429 295 HE2 MET 37 2HE MET 37 10.088 16.364 -8.821 296 HE3 MET 37 3HE MET 37 11.405 15.879 -9.891 297 H TYR 38 H TYR 38 8.491 11.519 -5.672 298 HA TYR 38 HA TYR 38 5.669 11.370 -5.052 299 HB2 TYR 38 2HB TYR 38 6.056 9.453 -3.501 300 HB3 TYR 38 1HB TYR 38 6.253 9.022 -5.196 301 HD1 TYR 38 1HD TYR 38 8.005 9.664 -2.046 302 HD2 TYR 38 2HD TYR 38 8.358 8.273 -6.042 303 HE1 TYR 38 1HE TYR 38 10.217 8.758 -1.515 304 HE2 TYR 38 2HE TYR 38 10.582 7.364 -5.530 305 HH TYR 38 HH TYR 38 11.857 6.615 -3.624 306 H THR 39 H THR 39 5.421 11.704 -2.627 307 HA THR 39 HA THR 39 7.771 13.112 -1.574 308 HB THR 39 HB THR 39 6.531 14.857 -0.734 309 HG1 THR 39 1HG THR 39 4.742 13.216 -0.063 310 HG21 THR 39 1HG2 THR 39 5.153 15.724 -2.557 311 HG22 THR 39 2HG2 THR 39 5.137 14.119 -3.287 312 HG23 THR 39 3HG2 THR 39 6.655 15.006 -3.145 313 H SER 40 H SER 40 8.559 12.029 -0.021 314 HA SER 40 HA SER 40 6.937 10.189 1.538 315 HB2 SER 40 2HB SER 40 9.197 9.588 0.479 316 HB3 SER 40 1HB SER 40 9.922 10.593 1.734 317 HG SER 40 HG SER 40 9.914 8.563 2.552 318 H ILE 41 H ILE 41 7.891 10.024 3.915 319 HA ILE 41 HA ILE 41 7.987 12.761 5.030 320 HB ILE 41 HB ILE 41 6.441 10.436 6.195 321 HG12 ILE 41 2HG1 ILE 41 4.712 12.557 5.887 322 HG13 ILE 41 1HG1 ILE 41 5.707 12.652 4.440 323 HG21 ILE 41 1HG2 ILE 41 7.448 11.795 7.943 324 HG22 ILE 41 2HG2 ILE 41 5.698 12.016 7.910 325 HG23 ILE 41 3HG2 ILE 41 6.756 13.247 7.223 326 HD11 ILE 41 1HD1 ILE 41 3.749 11.342 3.997 327 HD12 ILE 41 2HD1 ILE 41 4.103 10.292 5.370 328 HD13 ILE 41 3HD1 ILE 41 5.171 10.297 3.966 329 HA PRO 42 HA PRO 42 11.525 11.014 7.020 330 HB2 PRO 42 2HB PRO 42 12.114 13.399 8.376 331 HB3 PRO 42 1HB PRO 42 12.716 12.917 6.792 332 HG2 PRO 42 2HG PRO 42 10.924 15.036 7.380 333 HG3 PRO 42 1HG PRO 42 11.429 14.463 5.783 334 HD2 PRO 42 2HD PRO 42 8.926 13.956 7.258 335 HD3 PRO 42 1HD PRO 42 9.255 13.863 5.517 336 H ASN 43 H ASN 43 11.176 9.645 8.608 337 HA ASN 43 HA ASN 43 9.995 10.602 11.129 338 HB2 ASN 43 2HB ASN 43 8.960 8.604 9.885 339 HB3 ASN 43 1HB ASN 43 10.412 7.714 10.330 340 HD21 ASN 43 1HD2 ASN 43 10.764 7.161 12.491 341 HD22 ASN 43 2HD2 ASN 43 9.488 7.238 13.665 342 H ASP 44 H ASP 44 12.516 8.543 9.777 343 HA ASP 44 HA ASP 44 14.202 9.087 12.123 344 HB2 ASP 44 2HB ASP 44 14.073 6.691 10.284 345 HB3 ASP 44 1HB ASP 44 15.443 6.989 11.346 346 H LYS 45 H LYS 45 15.781 10.497 11.664 347 HA LYS 45 HA LYS 45 16.563 10.832 8.859 348 HB2 LYS 45 2HB LYS 45 17.433 12.604 11.125 349 HB3 LYS 45 1HB LYS 45 17.331 12.983 9.411 350 HG2 LYS 45 2HG LYS 45 15.242 13.716 9.622 351 HG3 LYS 45 1HG LYS 45 14.743 12.253 10.476 352 HD2 LYS 45 2HD LYS 45 14.472 14.349 11.812 353 HD3 LYS 45 1HD LYS 45 15.503 13.134 12.571 354 HE2 LYS 45 2HE LYS 45 17.459 14.367 11.495 355 HE3 LYS 45 1HE LYS 45 16.319 15.675 11.190 356 HZ1 LYS 45 1HZ LYS 45 16.136 16.159 13.400 357 HZ2 LYS 45 2HZ LYS 45 17.746 15.633 13.349 358 HZ3 LYS 45 3HZ LYS 45 16.530 14.589 13.910 359 HA PRO 46 HA PRO 46 20.376 8.716 9.573 360 HB2 PRO 46 2HB PRO 46 21.461 10.274 7.327 361 HB3 PRO 46 1HB PRO 46 21.211 8.531 7.466 362 HG2 PRO 46 2HG PRO 46 19.691 10.069 5.857 363 HG3 PRO 46 1HG PRO 46 19.041 8.646 6.693 364 HD2 PRO 46 2HD PRO 46 18.755 11.543 7.378 365 HD3 PRO 46 1HD PRO 46 17.552 10.238 7.463 366 H GLY 47 H GLY 47 20.309 12.201 9.039 367 HA2 GLY 47 2HA GLY 47 21.340 13.861 10.283 368 HA3 GLY 47 1HA GLY 47 22.161 12.614 11.211 369 H GLY 48 H GLY 48 22.294 12.623 7.741 370 HA2 GLY 48 2HA GLY 48 24.978 13.812 7.801 371 HA3 GLY 48 1HA GLY 48 24.759 12.209 7.110 372 H SER 49 H SER 49 22.876 12.142 5.474 373 HA SER 49 HA SER 49 23.563 13.826 3.329 374 HB2 SER 49 2HB SER 49 21.071 12.133 3.666 375 HB3 SER 49 1HB SER 49 21.701 12.763 2.142 376 HG SER 49 HG SER 49 22.238 10.488 2.839 377 H SER 50 H SER 50 23.101 15.915 3.125 378 HA SER 50 HA SER 50 20.868 17.075 4.573 379 HB2 SER 50 2HB SER 50 22.952 18.352 2.781 380 HB3 SER 50 1HB SER 50 21.784 19.225 3.774 381 HG SER 50 HG SER 50 24.084 17.829 4.518 382 H GLN 51 H GLN 51 21.523 15.797 1.522 383 HA GLN 51 HA GLN 51 19.437 17.314 0.161 384 HB2 GLN 51 2HB GLN 51 21.095 15.046 -0.941 385 HB3 GLN 51 1HB GLN 51 20.160 16.223 -1.854 386 HG2 GLN 51 2HG GLN 51 21.684 17.996 -1.087 387 HG3 GLN 51 1HG GLN 51 22.634 16.783 -0.231 388 HE21 GLN 51 1HE2 GLN 51 21.121 16.396 -3.374 389 HE22 GLN 51 2HE2 GLN 51 22.595 16.241 -4.270 390 H ALA 52 H ALA 52 19.255 15.117 2.363 391 HA ALA 52 HA ALA 52 16.950 13.772 1.174 392 HB1 ALA 52 1HB ALA 52 19.177 12.296 2.584 393 HB2 ALA 52 2HB ALA 52 18.777 12.193 0.868 394 HB3 ALA 52 3HB ALA 52 17.639 11.596 2.075 395 H THR 53 H THR 53 15.441 13.048 2.694 396 HA THR 53 HA THR 53 14.095 13.266 4.474 397 HB THR 53 HB THR 53 15.034 12.963 6.735 398 HG1 THR 53 1HG THR 53 17.357 13.702 5.501 399 HG21 THR 53 1HG2 THR 53 16.072 11.097 4.606 400 HG22 THR 53 2HG2 THR 53 14.495 11.027 5.395 401 HG23 THR 53 3HG2 THR 53 15.961 10.710 6.323 402 H LYS 54 H LYS 54 13.805 14.511 6.682 403 HA LYS 54 HA LYS 54 13.398 16.479 7.725 404 HB2 LYS 54 2HB LYS 54 15.862 16.748 7.698 405 HB3 LYS 54 1HB LYS 54 15.744 17.554 6.141 406 HG2 LYS 54 2HG LYS 54 14.038 18.746 8.173 407 HG3 LYS 54 1HG LYS 54 15.751 18.768 8.600 408 HD2 LYS 54 2HD LYS 54 14.568 19.811 6.023 409 HD3 LYS 54 1HD LYS 54 15.086 20.797 7.393 410 HE2 LYS 54 2HE LYS 54 17.355 20.128 7.115 411 HE3 LYS 54 1HE LYS 54 16.912 18.915 5.916 412 HZ1 LYS 54 1HZ LYS 54 15.968 21.419 5.065 413 HZ2 LYS 54 2HZ LYS 54 17.135 20.426 4.340 414 HZ3 LYS 54 3HZ LYS 54 17.600 21.579 5.495 415 H GLU 55 H GLU 55 14.433 17.361 4.445 416 HA GLU 55 HA GLU 55 11.862 18.761 4.065 417 HB2 GLU 55 2HB GLU 55 14.644 19.498 3.410 418 HB3 GLU 55 1HB GLU 55 13.489 19.760 2.109 419 HG2 GLU 55 2HG GLU 55 12.129 21.140 3.577 420 HG3 GLU 55 1HG GLU 55 13.253 20.848 4.903 421 H ILE 56 H ILE 56 10.760 17.027 3.254 422 HA ILE 56 HA ILE 56 11.911 15.418 1.153 423 HB ILE 56 HB ILE 56 9.124 15.327 2.252 424 HG12 ILE 56 2HG1 ILE 56 10.842 14.847 3.976 425 HG13 ILE 56 1HG1 ILE 56 9.920 13.407 3.558 426 HG21 ILE 56 1HG2 ILE 56 9.348 14.395 0.018 427 HG22 ILE 56 2HG2 ILE 56 9.097 13.110 1.201 428 HG23 ILE 56 3HG2 ILE 56 10.710 13.408 0.550 429 HD11 ILE 56 1HD1 ILE 56 12.673 14.083 2.546 430 HD12 ILE 56 2HD1 ILE 56 11.754 12.628 2.157 431 HD13 ILE 56 3HD1 ILE 56 12.292 12.918 3.812 432 H LYS 57 H LYS 57 12.227 16.737 -0.509 433 HA LYS 57 HA LYS 57 9.981 18.070 -1.772 434 HB2 LYS 57 2HB LYS 57 12.758 17.728 -2.924 435 HB3 LYS 57 1HB LYS 57 11.593 19.011 -3.241 436 HG2 LYS 57 2HG LYS 57 11.864 19.675 -0.816 437 HG3 LYS 57 1HG LYS 57 13.244 18.581 -0.764 438 HD2 LYS 57 2HD LYS 57 14.342 19.866 -2.522 439 HD3 LYS 57 1HD LYS 57 12.943 20.938 -2.629 440 HE2 LYS 57 2HE LYS 57 14.709 20.556 -0.212 441 HE3 LYS 57 1HE LYS 57 14.730 21.946 -1.301 442 HZ1 LYS 57 1HZ LYS 57 12.395 21.111 0.343 443 HZ2 LYS 57 2HZ LYS 57 12.492 22.494 -0.633 444 HZ3 LYS 57 3HZ LYS 57 13.462 22.360 0.755 445 HA PRO 58 HA PRO 58 8.607 14.708 -4.246 446 HB2 PRO 58 2HB PRO 58 9.180 16.301 -6.690 447 HB3 PRO 58 1HB PRO 58 7.695 15.478 -6.201 448 HG2 PRO 58 2HG PRO 58 7.926 18.132 -6.006 449 HG3 PRO 58 1HG PRO 58 7.056 17.191 -4.783 450 HD2 PRO 58 2HD PRO 58 9.745 18.452 -4.643 451 HD3 PRO 58 1HD PRO 58 8.544 18.198 -3.361 452 H GLN 59 H GLN 59 9.923 13.021 -4.216 453 HA GLN 59 HA GLN 59 12.409 13.092 -5.796 454 HB2 GLN 59 2HB GLN 59 11.560 11.292 -3.521 455 HB3 GLN 59 1HB GLN 59 13.030 11.058 -4.459 456 HG2 GLN 59 2HG GLN 59 14.116 12.701 -3.403 457 HG3 GLN 59 1HG GLN 59 12.699 13.752 -3.358 458 HE21 GLN 59 1HE2 GLN 59 12.647 14.339 -1.319 459 HE22 GLN 59 2HE2 GLN 59 12.518 13.268 0.029 460 H LYS 60 H LYS 60 12.663 11.795 -7.478 461 HA LYS 60 HA LYS 60 10.461 10.422 -8.606 462 HB2 LYS 60 2HB LYS 60 12.288 11.716 -9.858 463 HB3 LYS 60 1HB LYS 60 13.318 10.324 -9.563 464 HG2 LYS 60 2HG LYS 60 12.251 9.035 -11.081 465 HG3 LYS 60 1HG LYS 60 10.682 9.793 -10.793 466 HD2 LYS 60 2HD LYS 60 12.977 11.101 -12.255 467 HD3 LYS 60 1HD LYS 60 11.633 10.272 -13.041 468 HE2 LYS 60 2HE LYS 60 10.058 11.848 -12.095 469 HE3 LYS 60 1HE LYS 60 11.347 12.642 -11.191 470 HZ1 LYS 60 1HZ LYS 60 10.843 13.899 -13.163 471 HZ2 LYS 60 2HZ LYS 60 11.057 12.537 -14.145 472 HZ3 LYS 60 3HZ LYS 60 12.382 13.214 -13.329 473 H LEU 61 H LEU 61 10.136 8.276 -8.739 474 HA LEU 61 HA LEU 61 10.855 6.571 -6.749 475 HB2 LEU 61 2HB LEU 61 10.048 6.074 -9.568 476 HB3 LEU 61 1HB LEU 61 10.478 4.725 -8.539 477 HG LEU 61 HG LEU 61 8.265 6.714 -8.071 478 HD11 LEU 61 1HD1 LEU 61 7.830 5.040 -9.807 479 HD12 LEU 61 2HD1 LEU 61 6.813 4.811 -8.385 480 HD13 LEU 61 3HD1 LEU 61 8.202 3.758 -8.651 481 HD21 LEU 61 1HD2 LEU 61 9.352 6.067 -5.986 482 HD22 LEU 61 2HD2 LEU 61 9.130 4.366 -6.394 483 HD23 LEU 61 3HD2 LEU 61 7.725 5.395 -6.113 484 H GLY 62 H GLY 62 12.649 5.755 -6.064 485 HA2 GLY 62 2HA GLY 62 15.054 5.653 -7.558 486 HA3 GLY 62 1HA GLY 62 14.763 4.848 -6.018 487 H GLU 63 H GLU 63 16.287 3.457 -7.683 488 HA GLU 63 HA GLU 63 14.730 1.779 -9.460 489 HB2 GLU 63 2HB GLU 63 17.576 1.291 -8.626 490 HB3 GLU 63 1HB GLU 63 16.780 0.834 -10.126 491 HG2 GLU 63 2HG GLU 63 16.527 3.288 -10.600 492 HG3 GLU 63 1HG GLU 63 17.612 3.566 -9.242 493 H ASP 64 H ASP 64 14.421 1.830 -6.439 494 HA ASP 64 HA ASP 64 14.609 -1.097 -6.036 495 HB2 ASP 64 2HB ASP 64 16.202 0.094 -4.587 496 HB3 ASP 64 1HB ASP 64 14.901 1.091 -3.955 497 H GLU 65 H GLU 65 12.614 1.504 -6.455 498 HA GLU 65 HA GLU 65 10.479 0.435 -4.762 499 HB2 GLU 65 2HB GLU 65 11.027 3.088 -6.029 500 HB3 GLU 65 1HB GLU 65 9.394 2.677 -5.498 501 HG2 GLU 65 2HG GLU 65 10.104 2.449 -3.239 502 HG3 GLU 65 1HG GLU 65 11.803 2.515 -3.706 503 H SER 66 H SER 66 10.161 2.242 -7.767 504 HA SER 66 HA SER 66 8.994 1.885 -9.674 505 HB2 SER 66 2HB SER 66 9.575 -1.047 -9.164 506 HB3 SER 66 1HB SER 66 9.124 -0.319 -10.707 507 HG SER 66 HG SER 66 11.121 0.268 -10.982 508 H ILE 67 H ILE 67 7.001 2.542 -9.215 509 HA ILE 67 HA ILE 67 5.116 1.077 -7.625 510 HB ILE 67 HB ILE 67 4.940 3.569 -9.301 511 HG12 ILE 67 2HG1 ILE 67 4.798 3.034 -6.340 512 HG13 ILE 67 1HG1 ILE 67 6.120 3.814 -7.204 513 HG21 ILE 67 1HG2 ILE 67 2.767 2.474 -9.443 514 HG22 ILE 67 2HG2 ILE 67 2.686 3.942 -8.467 515 HG23 ILE 67 3HG2 ILE 67 2.709 2.363 -7.684 516 HD11 ILE 67 1HD1 ILE 67 3.329 4.878 -6.901 517 HD12 ILE 67 2HD1 ILE 67 4.640 5.661 -7.785 518 HD13 ILE 67 3HD1 ILE 67 4.761 5.435 -6.038 519 HA PRO 68 HA PRO 68 3.192 -1.536 -10.723 520 HB2 PRO 68 2HB PRO 68 0.702 -0.568 -9.388 521 HB3 PRO 68 1HB PRO 68 1.191 -2.218 -9.792 522 HG2 PRO 68 2HG PRO 68 1.350 -1.322 -7.279 523 HG3 PRO 68 1HG PRO 68 2.584 -2.404 -7.951 524 HD2 PRO 68 2HD PRO 68 2.724 0.508 -7.382 525 HD3 PRO 68 1HD PRO 68 4.010 -0.716 -7.354 526 H GLU 69 H GLU 69 2.936 -0.858 -12.765 527 HA GLU 69 HA GLU 69 2.336 1.839 -13.377 528 HB2 GLU 69 2HB GLU 69 3.008 -0.587 -14.912 529 HB3 GLU 69 1HB GLU 69 2.144 0.673 -15.786 530 HG2 GLU 69 2HG GLU 69 3.968 1.914 -15.943 531 HG3 GLU 69 1HG GLU 69 4.251 1.818 -14.208 532 H GLU 70 H GLU 70 0.170 -0.056 -12.159 533 HA GLU 70 HA GLU 70 -1.954 0.670 -14.045 534 HB2 GLU 70 2HB GLU 70 -3.381 -0.909 -12.799 535 HB3 GLU 70 1HB GLU 70 -1.951 -1.694 -13.455 536 HG2 GLU 70 2HG GLU 70 -1.023 -2.035 -11.384 537 HG3 GLU 70 1HG GLU 70 -1.887 -0.683 -10.651 538 H ILE 71 H ILE 71 -0.496 1.519 -11.094 539 HA ILE 71 HA ILE 71 -2.841 3.157 -10.351 540 HB ILE 71 HB ILE 71 -2.234 2.996 -8.040 541 HG12 ILE 71 2HG1 ILE 71 0.153 1.349 -8.901 542 HG13 ILE 71 1HG1 ILE 71 0.228 3.029 -8.377 543 HG21 ILE 71 1HG2 ILE 71 -2.452 0.584 -7.634 544 HG22 ILE 71 2HG2 ILE 71 -2.049 0.276 -9.324 545 HG23 ILE 71 3HG2 ILE 71 -3.534 1.134 -8.916 546 HD11 ILE 71 1HD1 ILE 71 0.881 1.564 -6.587 547 HD12 ILE 71 2HD1 ILE 71 -0.637 0.678 -6.720 548 HD13 ILE 71 3HD1 ILE 71 -0.640 2.358 -6.185 549 H ILE 72 H ILE 72 0.438 3.078 -11.204 550 HA ILE 72 HA ILE 72 1.644 5.280 -10.055 551 HB ILE 72 HB ILE 72 2.581 3.516 -11.549 552 HG12 ILE 72 2HG1 ILE 72 3.619 5.845 -10.794 553 HG13 ILE 72 1HG1 ILE 72 4.502 4.717 -11.813 554 HG21 ILE 72 1HG2 ILE 72 1.644 5.341 -13.733 555 HG22 ILE 72 2HG2 ILE 72 1.118 3.683 -13.435 556 HG23 ILE 72 3HG2 ILE 72 2.774 4.002 -13.947 557 HD11 ILE 72 1HD1 ILE 72 3.860 5.984 -13.786 558 HD12 ILE 72 2HD1 ILE 72 4.690 7.006 -12.612 559 HD13 ILE 72 3HD1 ILE 72 2.937 7.097 -12.774 560 H ASN 73 H ASN 73 -0.752 5.254 -12.614 561 HA ASN 73 HA ASN 73 -0.255 8.090 -13.130 562 HB2 ASN 73 2HB ASN 73 -0.618 6.126 -14.887 563 HB3 ASN 73 1HB ASN 73 -2.308 6.558 -14.642 564 HD21 ASN 73 1HD2 ASN 73 0.788 7.617 -15.793 565 HD22 ASN 73 2HD2 ASN 73 0.219 8.985 -16.684 566 H GLY 74 H GLY 74 -1.715 6.688 -10.780 567 HA2 GLY 74 2HA GLY 74 -4.090 8.483 -10.953 568 HA3 GLY 74 1HA GLY 74 -4.234 6.852 -10.331 569 H LYS 75 H LYS 75 -1.509 8.945 -9.611 570 HA LYS 75 HA LYS 75 -0.683 9.740 -7.652 571 HB2 LYS 75 2HB LYS 75 -2.791 11.159 -7.940 572 HB3 LYS 75 1HB LYS 75 -3.523 10.124 -6.723 573 HG2 LYS 75 2HG LYS 75 -2.288 11.011 -5.030 574 HG3 LYS 75 1HG LYS 75 -0.906 11.358 -6.077 575 HD2 LYS 75 2HD LYS 75 -2.168 13.211 -7.098 576 HD3 LYS 75 1HD LYS 75 -3.520 12.876 -6.012 577 HE2 LYS 75 2HE LYS 75 -2.116 13.385 -4.089 578 HE3 LYS 75 1HE LYS 75 -0.736 13.668 -5.151 579 HZ1 LYS 75 1HZ LYS 75 -1.991 15.500 -6.175 580 HZ2 LYS 75 2HZ LYS 75 -1.745 15.751 -4.520 581 HZ3 LYS 75 3HZ LYS 75 -3.259 15.245 -5.079 582 H CYS 76 H CYS 76 0.322 8.294 -6.468 583 HA CYS 76 HA CYS 76 -1.316 6.211 -5.177 584 HB2 CYS 76 2HB CYS 76 1.663 6.040 -5.512 585 HB3 CYS 76 1HB CYS 76 0.502 4.738 -5.283 586 HG CYS 76 HG CYS 76 -0.656 5.527 -7.928 587 H PHE 77 H PHE 77 -0.353 5.332 -3.162 588 HA PHE 77 HA PHE 77 1.017 7.316 -1.524 589 HB2 PHE 77 2HB PHE 77 -1.597 5.995 -0.748 590 HB3 PHE 77 1HB PHE 77 -0.599 6.973 0.322 591 HD1 PHE 77 1HD PHE 77 -3.296 7.000 -1.936 592 HD2 PHE 77 2HD PHE 77 -0.079 9.375 -0.498 593 HE1 PHE 77 1HE PHE 77 -4.439 9.026 -2.731 594 HE2 PHE 77 2HE PHE 77 -1.214 11.404 -1.286 595 HZ PHE 77 HZ PHE 77 -3.391 11.230 -2.426 596 H PHE 78 H PHE 78 2.715 6.324 -0.734 597 HA PHE 78 HA PHE 78 2.742 3.425 -0.566 598 HB2 PHE 78 2HB PHE 78 4.764 4.658 -1.323 599 HB3 PHE 78 1HB PHE 78 4.877 5.405 0.266 600 HD1 PHE 78 1HD PHE 78 6.041 4.358 1.980 601 HD2 PHE 78 2HD PHE 78 4.897 2.114 -1.444 602 HE1 PHE 78 1HE PHE 78 7.386 2.458 2.778 603 HE2 PHE 78 2HE PHE 78 6.241 0.212 -0.658 604 HZ PHE 78 HZ PHE 78 7.490 0.383 1.460 605 H ILE 79 H ILE 79 1.441 2.779 1.020 606 HA ILE 79 HA ILE 79 1.662 4.067 3.648 607 HB ILE 79 HB ILE 79 -0.376 3.082 4.253 608 HG12 ILE 79 2HG1 ILE 79 0.294 1.215 2.059 609 HG13 ILE 79 1HG1 ILE 79 -0.446 0.901 3.625 610 HG21 ILE 79 1HG2 ILE 79 -1.943 3.832 2.513 611 HG22 ILE 79 2HG2 ILE 79 -0.598 3.970 1.378 612 HG23 ILE 79 3HG2 ILE 79 -0.655 5.001 2.810 613 HD11 ILE 79 1HD1 ILE 79 -1.964 0.392 1.811 614 HD12 ILE 79 2HD1 ILE 79 -1.831 2.049 1.218 615 HD13 ILE 79 3HD1 ILE 79 -2.568 1.730 2.789 616 H HIS 80 H HIS 80 1.485 2.763 5.434 617 HA HIS 80 HA HIS 80 2.638 0.095 5.181 618 HB2 HIS 80 2HB HIS 80 4.464 1.257 5.991 619 HB3 HIS 80 1HB HIS 80 3.469 2.459 6.802 620 HD1 HIS 80 1HD HIS 80 5.043 -0.893 7.293 621 HD2 HIS 80 2HD HIS 80 2.693 1.841 9.357 622 HE1 HIS 80 1HE HIS 80 5.111 -1.637 9.712 623 HE2 HIS 80 2HE HIS 80 3.812 0.133 10.975 624 H TYR 81 H TYR 81 0.890 -1.081 5.575 625 HA TYR 81 HA TYR 81 -1.440 -0.361 6.818 626 HB2 TYR 81 2HB TYR 81 -0.138 -3.051 6.480 627 HB3 TYR 81 1HB TYR 81 -1.732 -2.875 7.208 628 HD1 TYR 81 1HD TYR 81 0.090 -3.116 4.155 629 HD2 TYR 81 2HD TYR 81 -3.529 -1.652 5.841 630 HE1 TYR 81 1HE TYR 81 -0.915 -3.043 1.913 631 HE2 TYR 81 2HE TYR 81 -4.544 -1.573 3.602 632 HH TYR 81 HH TYR 81 -3.182 -3.093 0.911 633 H GLN 82 H GLN 82 -1.836 0.319 8.746 634 HA GLN 82 HA GLN 82 -0.063 0.037 10.956 635 HB2 GLN 82 2HB GLN 82 -2.959 0.869 11.102 636 HB3 GLN 82 1HB GLN 82 -1.664 1.289 12.213 637 HG2 GLN 82 2HG GLN 82 -0.582 2.553 10.355 638 HG3 GLN 82 1HG GLN 82 -2.020 2.245 9.384 639 HE21 GLN 82 1HE2 GLN 82 -3.744 2.463 11.792 640 HE22 GLN 82 2HE2 GLN 82 -3.863 4.158 12.117 641 H GLY 83 H GLY 83 0.018 -1.432 12.535 642 HA2 GLY 83 2HA GLY 83 -0.848 -2.988 14.068 643 HA3 GLY 83 1HA GLY 83 -2.301 -3.114 13.090 644 H TRP 84 H TRP 84 -0.099 -3.361 10.806 645 HA TRP 84 HA TRP 84 -0.031 -6.275 11.036 646 HB2 TRP 84 2HB TRP 84 0.180 -4.420 8.670 647 HB3 TRP 84 1HB TRP 84 0.566 -6.132 8.560 648 HD1 TRP 84 HD TRP 84 -2.199 -3.902 7.925 649 HE1 TRP 84 1HE TRP 84 -4.448 -5.145 7.899 650 HE3 TRP 84 3HE TRP 84 -0.737 -8.284 10.131 651 HZ2 TRP 84 2HZ TRP 84 -5.475 -7.654 8.709 652 HZ3 TRP 84 3HZ TRP 84 -2.414 -10.050 10.468 653 HH2 TRP 84 HH TRP 84 -4.734 -9.742 9.772 654 H LYS 85 H LYS 85 2.150 -5.117 8.749 655 HA LYS 85 HA LYS 85 4.430 -4.914 10.506 656 HB2 LYS 85 2HB LYS 85 4.128 -7.345 10.420 657 HB3 LYS 85 1HB LYS 85 4.088 -7.302 8.665 658 HG2 LYS 85 2HG LYS 85 6.264 -7.650 8.645 659 HG3 LYS 85 1HG LYS 85 6.505 -6.089 9.424 660 HD2 LYS 85 2HD LYS 85 6.471 -7.082 11.595 661 HD3 LYS 85 1HD LYS 85 5.930 -8.631 10.937 662 HE2 LYS 85 2HE LYS 85 7.996 -9.115 10.030 663 HE3 LYS 85 1HE LYS 85 8.494 -7.424 9.996 664 HZ1 LYS 85 1HZ LYS 85 9.707 -8.287 11.732 665 HZ2 LYS 85 2HZ LYS 85 8.462 -9.308 12.263 666 HZ3 LYS 85 3HZ LYS 85 8.372 -7.639 12.547 667 H SER 86 H SER 86 6.472 -4.650 9.161 668 HA SER 86 HA SER 86 6.098 -2.655 7.221 669 HB2 SER 86 2HB SER 86 8.707 -3.839 7.041 670 HB3 SER 86 1HB SER 86 8.241 -2.292 7.749 671 HG SER 86 HG SER 86 9.266 -3.875 9.198 672 H SER 87 H SER 87 6.047 -6.070 6.939 673 HA SER 87 HA SER 87 6.951 -6.226 4.223 674 HB2 SER 87 2HB SER 87 5.576 -8.538 4.597 675 HB3 SER 87 1HB SER 87 7.239 -8.292 5.133 676 HG SER 87 HG SER 87 5.964 -9.087 6.830 677 H TRP 88 H TRP 88 4.305 -4.870 5.542 678 HA TRP 88 HA TRP 88 2.517 -5.625 3.344 679 HB2 TRP 88 2HB TRP 88 2.030 -4.564 6.106 680 HB3 TRP 88 1HB TRP 88 0.824 -4.315 4.841 681 HD1 TRP 88 HD TRP 88 2.276 -6.986 7.111 682 HE1 TRP 88 1HE TRP 88 0.880 -9.138 6.887 683 HE3 TRP 88 3HE TRP 88 -0.614 -5.667 3.108 684 HZ2 TRP 88 2HZ TRP 88 -1.172 -10.143 5.232 685 HZ3 TRP 88 3HZ TRP 88 -2.267 -7.278 2.262 686 HH2 TRP 88 HH TRP 88 -2.538 -9.470 3.303 687 H ASP 89 H ASP 89 4.772 -3.390 4.048 688 HA ASP 89 HA ASP 89 3.556 -0.934 3.420 689 HB2 ASP 89 2HB ASP 89 6.399 -1.934 3.132 690 HB3 ASP 89 1HB ASP 89 5.936 -0.294 2.695 691 H GLU 90 H GLU 90 2.440 -0.557 1.620 692 HA GLU 90 HA GLU 90 3.570 -1.327 -0.954 693 HB2 GLU 90 2HB GLU 90 2.050 -3.167 -0.173 694 HB3 GLU 90 1HB GLU 90 0.726 -2.012 -0.190 695 HG2 GLU 90 2HG GLU 90 0.781 -3.456 -2.174 696 HG3 GLU 90 1HG GLU 90 0.923 -1.744 -2.568 697 H TRP 91 H TRP 91 2.512 -0.304 -2.769 698 HA TRP 91 HA TRP 91 1.704 2.418 -2.133 699 HB2 TRP 91 2HB TRP 91 2.395 0.983 -4.689 700 HB3 TRP 91 1HB TRP 91 1.727 2.605 -4.688 701 HD1 TRP 91 HD TRP 91 4.935 0.695 -4.151 702 HE1 TRP 91 1HE TRP 91 6.871 2.372 -3.897 703 HE3 TRP 91 3HE TRP 91 2.227 5.012 -3.679 704 HZ2 TRP 91 2HZ TRP 91 7.198 5.153 -3.560 705 HZ3 TRP 91 3HZ TRP 91 3.443 7.133 -3.381 706 HH2 TRP 91 HH TRP 91 5.876 7.197 -3.318 707 H VAL 92 H VAL 92 -0.390 3.064 -2.114 708 HA VAL 92 HA VAL 92 -2.332 1.391 -3.570 709 HB VAL 92 HB VAL 92 -4.073 2.333 -2.008 710 HG11 VAL 92 1HG1 VAL 92 -3.551 0.745 -0.210 711 HG12 VAL 92 2HG1 VAL 92 -1.910 0.594 -0.836 712 HG13 VAL 92 3HG1 VAL 92 -3.279 0.057 -1.810 713 HG21 VAL 92 1HG2 VAL 92 -2.829 4.227 -1.158 714 HG22 VAL 92 2HG2 VAL 92 -1.630 3.148 -0.443 715 HG23 VAL 92 3HG2 VAL 92 -3.284 3.159 0.171 716 H GLY 93 H GLY 93 -4.096 2.530 -4.603 717 HA2 GLY 93 2HA GLY 93 -3.278 5.266 -5.358 718 HA3 GLY 93 1HA GLY 93 -4.162 4.164 -6.405 719 H TYR 94 H TYR 94 -5.040 6.744 -5.921 720 HA TYR 94 HA TYR 94 -6.852 7.283 -3.931 721 HB2 TYR 94 2HB TYR 94 -6.381 8.167 -6.666 722 HB3 TYR 94 1HB TYR 94 -8.058 8.350 -6.159 723 HD1 TYR 94 1HD TYR 94 -8.329 9.365 -3.728 724 HD2 TYR 94 2HD TYR 94 -4.960 9.904 -6.252 725 HE1 TYR 94 1HE TYR 94 -7.756 11.400 -2.511 726 HE2 TYR 94 2HE TYR 94 -4.367 11.938 -5.050 727 HH TYR 94 HH TYR 94 -5.776 12.800 -2.066 728 H ASP 95 H ASP 95 -7.105 4.785 -6.003 729 HA ASP 95 HA ASP 95 -10.046 4.739 -6.011 730 HB2 ASP 95 2HB ASP 95 -8.015 3.375 -7.760 731 HB3 ASP 95 1HB ASP 95 -9.681 2.813 -7.680 732 H ARG 96 H ARG 96 -7.359 3.450 -4.506 733 HA ARG 96 HA ARG 96 -8.890 1.121 -3.528 734 HB2 ARG 96 2HB ARG 96 -5.966 1.562 -4.013 735 HB3 ARG 96 1HB ARG 96 -6.449 0.494 -2.707 736 HG2 ARG 96 2HG ARG 96 -7.884 -0.663 -4.539 737 HG3 ARG 96 1HG ARG 96 -6.783 0.153 -5.651 738 HD2 ARG 96 2HD ARG 96 -4.922 -0.823 -4.137 739 HD3 ARG 96 1HD ARG 96 -6.181 -1.923 -3.578 740 HE ARG 96 HE ARG 96 -5.737 -1.738 -6.465 741 HH11 ARG 96 1HH1 ARG 96 -5.345 -3.523 -3.474 742 HH12 ARG 96 2HH1 ARG 96 -4.883 -5.005 -4.259 743 HH21 ARG 96 1HH2 ARG 96 -5.122 -3.673 -7.510 744 HH22 ARG 96 2HH2 ARG 96 -4.759 -5.083 -6.571 745 H ILE 97 H ILE 97 -7.084 3.971 -2.785 746 HA ILE 97 HA ILE 97 -7.219 3.508 0.074 747 HB ILE 97 HB ILE 97 -5.128 4.319 -0.924 748 HG12 ILE 97 2HG1 ILE 97 -6.358 6.462 0.772 749 HG13 ILE 97 1HG1 ILE 97 -5.803 4.913 1.406 750 HG21 ILE 97 1HG2 ILE 97 -6.081 5.644 -2.723 751 HG22 ILE 97 2HG2 ILE 97 -4.949 6.583 -1.748 752 HG23 ILE 97 3HG2 ILE 97 -6.689 6.804 -1.545 753 HD11 ILE 97 1HD1 ILE 97 -4.142 6.682 1.719 754 HD12 ILE 97 2HD1 ILE 97 -4.094 6.931 -0.027 755 HD13 ILE 97 3HD1 ILE 97 -3.547 5.404 0.660 756 H ARG 98 H ARG 98 -8.416 4.622 1.461 757 HA ARG 98 HA ARG 98 -10.224 6.726 0.474 758 HB2 ARG 98 2HB ARG 98 -10.948 4.496 2.397 759 HB3 ARG 98 1HB ARG 98 -12.003 5.808 1.898 760 HG2 ARG 98 2HG ARG 98 -10.954 3.564 0.190 761 HG3 ARG 98 1HG ARG 98 -12.626 3.861 0.679 762 HD2 ARG 98 2HD ARG 98 -12.169 6.188 -0.508 763 HD3 ARG 98 1HD ARG 98 -10.970 5.240 -1.379 764 HE ARG 98 HE ARG 98 -13.627 4.092 -1.321 765 HH11 ARG 98 1HH1 ARG 98 -11.316 6.028 -3.082 766 HH12 ARG 98 2HH1 ARG 98 -12.217 6.000 -4.567 767 HH21 ARG 98 1HH2 ARG 98 -14.821 4.015 -3.273 768 HH22 ARG 98 2HH2 ARG 98 -14.224 4.868 -4.670 769 H ALA 99 H ALA 99 -11.324 7.673 2.701 770 HA ALA 99 HA ALA 99 -9.037 8.656 4.170 771 HB1 ALA 99 1HB ALA 99 -10.621 10.313 3.246 772 HB2 ALA 99 2HB ALA 99 -10.528 10.380 5.003 773 HB3 ALA 99 3HB ALA 99 -11.908 9.605 4.227 774 H TYR 100 H TYR 100 -8.574 7.748 5.983 775 HA TYR 100 HA TYR 100 -10.269 5.861 7.246 776 HB2 TYR 100 2HB TYR 100 -7.925 5.586 7.362 777 HB3 TYR 100 1HB TYR 100 -7.688 7.240 7.885 778 HD1 TYR 100 1HD TYR 100 -8.336 3.820 8.876 779 HD2 TYR 100 2HD TYR 100 -8.151 7.827 10.281 780 HE1 TYR 100 1HE TYR 100 -8.178 2.997 11.183 781 HE2 TYR 100 2HE TYR 100 -7.996 7.017 12.594 782 HH TYR 100 HH TYR 100 -8.560 5.032 13.891 783 H ASN 101 H ASN 101 -12.159 6.775 7.784 784 HA ASN 101 HA ASN 101 -12.179 8.595 10.042 785 HB2 ASN 101 2HB ASN 101 -13.452 10.280 9.072 786 HB3 ASN 101 1HB ASN 101 -12.391 9.854 7.737 787 HD21 ASN 101 1HD2 ASN 101 -13.248 8.596 6.007 788 HD22 ASN 101 2HD2 ASN 101 -14.953 8.567 5.703 789 H GLU 102 H GLU 102 -14.399 8.733 10.918 790 HA GLU 102 HA GLU 102 -15.326 6.271 11.648 791 HB2 GLU 102 2HB GLU 102 -17.035 8.744 11.473 792 HB3 GLU 102 1HB GLU 102 -17.312 7.351 12.509 793 HG2 GLU 102 2HG GLU 102 -16.342 8.746 14.012 794 HG3 GLU 102 1HG GLU 102 -14.891 7.969 13.374 795 H GLU 103 H GLU 103 -16.577 8.184 8.925 796 HA GLU 103 HA GLU 103 -18.793 6.513 8.384 797 HB2 GLU 103 2HB GLU 103 -18.394 8.884 7.567 798 HB3 GLU 103 1HB GLU 103 -17.338 8.181 6.349 799 HG2 GLU 103 2HG GLU 103 -19.219 6.844 5.515 800 HG3 GLU 103 1HG GLU 103 -20.272 7.619 6.696 801 H ASN 104 H ASN 104 -15.452 6.425 7.206 802 HA ASN 104 HA ASN 104 -16.090 4.355 5.268 803 HB2 ASN 104 2HB ASN 104 -13.679 5.963 5.939 804 HB3 ASN 104 1HB ASN 104 -13.422 4.386 5.198 805 HD21 ASN 104 1HD2 ASN 104 -14.320 3.987 3.117 806 HD22 ASN 104 2HD2 ASN 104 -14.678 5.301 2.053 807 H ILE 105 H ILE 105 -14.512 4.679 8.358 808 HA ILE 105 HA ILE 105 -13.474 2.046 8.477 809 HB ILE 105 HB ILE 105 -14.149 3.849 10.750 810 HG12 ILE 105 2HG1 ILE 105 -11.615 3.651 9.098 811 HG13 ILE 105 1HG1 ILE 105 -12.737 5.014 9.108 812 HG21 ILE 105 1HG2 ILE 105 -12.193 1.577 10.491 813 HG22 ILE 105 2HG2 ILE 105 -13.698 1.557 11.410 814 HG23 ILE 105 3HG2 ILE 105 -12.374 2.609 11.910 815 HD11 ILE 105 1HD1 ILE 105 -12.223 5.429 11.432 816 HD12 ILE 105 2HD1 ILE 105 -10.761 5.439 10.444 817 HD13 ILE 105 3HD1 ILE 105 -11.138 4.040 11.450 818 H ALA 106 H ALA 106 -16.481 3.601 9.441 819 HA ALA 106 HA ALA 106 -17.565 1.589 11.016 820 HB1 ALA 106 1HB ALA 106 -19.758 2.514 10.470 821 HB2 ALA 106 2HB ALA 106 -19.057 3.406 9.119 822 HB3 ALA 106 3HB ALA 106 -18.598 3.807 10.775 823 H MET 107 H MET 107 -17.281 1.931 7.558 824 HA MET 107 HA MET 107 -18.951 -0.289 6.910 825 HB2 MET 107 2HB MET 107 -17.963 1.656 5.354 826 HB3 MET 107 1HB MET 107 -16.713 0.450 5.086 827 HG2 MET 107 2HG MET 107 -18.464 -1.147 4.405 828 HG3 MET 107 1HG MET 107 -19.653 0.147 4.550 829 HE1 MET 107 1HE MET 107 -19.187 -0.444 0.654 830 HE2 MET 107 2HE MET 107 -20.351 -0.419 1.980 831 HE3 MET 107 3HE MET 107 -19.094 -1.653 1.939 832 H LYS 108 H LYS 108 -15.424 0.181 7.193 833 HA LYS 108 HA LYS 108 -14.522 -2.333 6.531 834 HB2 LYS 108 2HB LYS 108 -13.092 -0.352 6.979 835 HB3 LYS 108 1HB LYS 108 -13.419 -0.526 8.697 836 HG2 LYS 108 2HG LYS 108 -12.282 -2.646 8.749 837 HG3 LYS 108 1HG LYS 108 -12.077 -2.614 6.997 838 HD2 LYS 108 2HD LYS 108 -10.018 -1.891 7.753 839 HD3 LYS 108 1HD LYS 108 -10.857 -0.376 7.419 840 HE2 LYS 108 2HE LYS 108 -9.765 -0.116 9.503 841 HE3 LYS 108 1HE LYS 108 -11.483 -0.306 9.850 842 HZ1 LYS 108 1HZ LYS 108 -9.630 -2.619 9.919 843 HZ2 LYS 108 2HZ LYS 108 -11.151 -2.466 10.660 844 HZ3 LYS 108 3HZ LYS 108 -9.820 -1.602 11.258 845 H LYS 109 H LYS 109 -15.560 -1.143 9.692 846 HA LYS 109 HA LYS 109 -15.134 -3.526 11.146 847 HB2 LYS 109 2HB LYS 109 -17.348 -1.525 11.654 848 HB3 LYS 109 1HB LYS 109 -16.635 -2.624 12.822 849 HG2 LYS 109 2HG LYS 109 -15.254 -0.297 11.508 850 HG3 LYS 109 1HG LYS 109 -15.847 -0.362 13.168 851 HD2 LYS 109 2HD LYS 109 -14.298 -2.487 13.281 852 HD3 LYS 109 1HD LYS 109 -13.488 -1.691 11.928 853 HE2 LYS 109 2HE LYS 109 -12.735 0.030 13.208 854 HE3 LYS 109 1HE LYS 109 -14.129 -0.020 14.290 855 HZ1 LYS 109 1HZ LYS 109 -11.817 -1.887 14.284 856 HZ2 LYS 109 2HZ LYS 109 -13.194 -2.060 15.262 857 HZ3 LYS 109 3HZ LYS 109 -12.176 -0.719 15.463 858 H ARG 110 H ARG 110 -18.063 -2.322 9.582 859 HA ARG 110 HA ARG 110 -19.627 -4.645 10.072 860 HB2 ARG 110 2HB ARG 110 -20.576 -2.412 9.562 861 HB3 ARG 110 1HB ARG 110 -19.908 -2.500 7.948 862 HG2 ARG 110 2HG ARG 110 -22.249 -3.002 7.876 863 HG3 ARG 110 1HG ARG 110 -21.324 -4.456 7.492 864 HD2 ARG 110 2HD ARG 110 -21.556 -4.957 10.023 865 HD3 ARG 110 1HD ARG 110 -22.876 -3.786 9.958 866 HE ARG 110 HE ARG 110 -23.561 -5.372 7.949 867 HH11 ARG 110 1HH1 ARG 110 -22.526 -6.173 11.204 868 HH12 ARG 110 2HH1 ARG 110 -23.304 -7.730 11.193 869 HH21 ARG 110 1HH2 ARG 110 -24.602 -7.395 7.955 870 HH22 ARG 110 2HH2 ARG 110 -24.456 -8.440 9.334 871 H LEU 111 H LEU 111 -17.344 -3.714 7.718 872 HA LEU 111 HA LEU 111 -18.004 -5.530 5.656 873 HB2 LEU 111 2HB LEU 111 -15.877 -3.606 6.295 874 HB3 LEU 111 1HB LEU 111 -15.436 -4.861 5.178 875 HG LEU 111 HG LEU 111 -17.841 -3.175 4.855 876 HD11 LEU 111 1HD1 LEU 111 -16.591 -1.817 3.262 877 HD12 LEU 111 2HD1 LEU 111 -15.142 -2.765 3.593 878 HD13 LEU 111 3HD1 LEU 111 -15.839 -1.749 4.856 879 HD21 LEU 111 1HD2 LEU 111 -17.745 -3.829 2.532 880 HD22 LEU 111 2HD2 LEU 111 -17.950 -5.200 3.623 881 HD23 LEU 111 3HD2 LEU 111 -16.371 -4.870 2.908 882 H ALA 112 H ALA 112 -15.630 -5.587 8.285 883 HA ALA 112 HA ALA 112 -14.567 -8.085 7.402 884 HB1 ALA 112 1HB ALA 112 -13.221 -6.520 8.735 885 HB2 ALA 112 2HB ALA 112 -13.348 -8.093 9.527 886 HB3 ALA 112 3HB ALA 112 -14.322 -6.737 10.097 887 H ASN 113 H ASN 113 -17.380 -7.139 8.846 888 HA ASN 113 HA ASN 113 -17.849 -9.695 10.175 889 HB2 ASN 113 2HB ASN 113 -19.059 -6.983 10.281 890 HB3 ASN 113 1HB ASN 113 -20.139 -8.342 10.559 891 HD21 ASN 113 1HD2 ASN 113 -17.454 -6.516 11.747 892 HD22 ASN 113 2HD2 ASN 113 -17.421 -7.209 13.332 893 H GLU 114 H GLU 114 -19.003 -7.638 7.548 894 HA GLU 114 HA GLU 114 -21.049 -9.463 6.702 895 HB2 GLU 114 2HB GLU 114 -20.063 -6.807 5.815 896 HB3 GLU 114 1HB GLU 114 -20.854 -7.804 4.602 897 HG2 GLU 114 2HG GLU 114 -22.820 -7.983 6.013 898 HG3 GLU 114 1HG GLU 114 -22.028 -7.016 7.257 899 H ALA 115 H ALA 115 -17.775 -8.577 5.540 900 HA ALA 115 HA ALA 115 -18.019 -10.346 3.263 901 HB1 ALA 115 1HB ALA 115 -15.605 -9.972 2.983 902 HB2 ALA 115 2HB ALA 115 -15.561 -9.139 4.537 903 HB3 ALA 115 3HB ALA 115 -16.482 -8.458 3.195 904 H LYS 116 H LYS 116 -17.876 -10.874 6.456 905 HA LYS 116 HA LYS 116 -16.253 -13.294 6.337 906 HB2 LYS 116 2HB LYS 116 -15.648 -12.715 8.401 907 HB3 LYS 116 1HB LYS 116 -16.601 -11.253 8.223 908 HG2 LYS 116 2HG LYS 116 -18.095 -11.929 9.715 909 HG3 LYS 116 1HG LYS 116 -18.221 -13.536 8.997 910 HD2 LYS 116 2HD LYS 116 -16.020 -12.611 10.848 911 HD3 LYS 116 1HD LYS 116 -17.404 -13.605 11.318 912 HE2 LYS 116 2HE LYS 116 -16.686 -15.365 9.814 913 HE3 LYS 116 1HE LYS 116 -15.345 -14.368 9.242 914 HZ1 LYS 116 1HZ LYS 116 -14.433 -15.819 10.814 915 HZ2 LYS 116 2HZ LYS 116 -15.718 -15.614 11.899 916 HZ3 LYS 116 3HZ LYS 116 -14.605 -14.354 11.656 917 H GLU 117 H GLU 117 -19.561 -12.205 6.710 918 HA GLU 117 HA GLU 117 -20.474 -14.823 7.508 919 HB2 GLU 117 2HB GLU 117 -22.787 -13.651 7.031 920 HB3 GLU 117 1HB GLU 117 -21.878 -13.317 8.494 921 HG2 GLU 117 2HG GLU 117 -20.960 -11.289 7.413 922 HG3 GLU 117 1HG GLU 117 -21.993 -11.604 6.019 923 H ALA 118 H ALA 118 -21.283 -12.722 4.751 924 HA ALA 118 HA ALA 118 -20.868 -14.733 2.813 925 HB1 ALA 118 1HB ALA 118 -23.768 -14.239 3.489 926 HB2 ALA 118 2HB ALA 118 -22.875 -15.724 3.823 927 HB3 ALA 118 3HB ALA 118 -23.158 -15.218 2.157 928 H LYS 119 H LYS 119 -20.300 -13.591 1.098 929 HA LYS 119 HA LYS 119 -21.257 -10.876 0.792 930 HB2 LYS 119 2HB LYS 119 -18.904 -12.234 0.043 931 HB3 LYS 119 1HB LYS 119 -19.701 -11.776 -1.456 932 HG2 LYS 119 2HG LYS 119 -18.562 -10.057 0.688 933 HG3 LYS 119 1HG LYS 119 -18.407 -9.926 -1.063 934 HD2 LYS 119 2HD LYS 119 -21.030 -9.463 0.328 935 HD3 LYS 119 1HD LYS 119 -19.839 -8.175 0.152 936 HE2 LYS 119 2HE LYS 119 -19.987 -8.219 -2.202 937 HE3 LYS 119 1HE LYS 119 -20.832 -9.767 -2.197 938 HZ1 LYS 119 1HZ LYS 119 -22.812 -8.799 -1.727 939 HZ2 LYS 119 2HZ LYS 119 -22.088 -7.471 -2.496 940 HZ3 LYS 119 3HZ LYS 119 -22.122 -7.552 -0.804 941 H LYS 120 H LYS 120 -23.462 -11.469 0.470 942 HA LYS 120 HA LYS 120 -24.310 -12.932 -1.811 943 HB2 LYS 120 2HB LYS 120 -25.667 -11.123 0.160 944 HB3 LYS 120 1HB LYS 120 -26.522 -11.656 -1.283 945 HG2 LYS 120 2HG LYS 120 -25.261 -13.516 0.724 946 HG3 LYS 120 1HG LYS 120 -26.963 -13.048 0.717 947 HD2 LYS 120 2HD LYS 120 -27.292 -14.044 -1.439 948 HD3 LYS 120 1HD LYS 120 -25.564 -14.356 -1.609 949 HE2 LYS 120 2HE LYS 120 -25.653 -15.918 0.265 950 HE3 LYS 120 1HE LYS 120 -27.372 -15.590 0.468 951 HZ1 LYS 120 1HZ LYS 120 -26.163 -16.742 -1.987 952 HZ2 LYS 120 2HZ LYS 120 -27.815 -16.533 -1.679 953 HZ3 LYS 120 3HZ LYS 120 -26.921 -17.652 -0.768 Start of MODEL 15 1 H MET 1 1HT MET 1 -13.172 17.666 -9.596 2 HA MET 1 HA MET 1 -10.541 16.910 -8.475 3 HB2 MET 1 2HB MET 1 -12.683 18.844 -7.645 4 HB3 MET 1 1HB MET 1 -11.630 18.110 -6.443 5 HG2 MET 1 2HG MET 1 -10.652 19.682 -8.813 6 HG3 MET 1 1HG MET 1 -10.919 20.360 -7.207 7 HE1 MET 1 1HE MET 1 -8.201 20.959 -8.220 8 HE2 MET 1 2HE MET 1 -7.132 20.379 -6.943 9 HE3 MET 1 3HE MET 1 -8.650 21.178 -6.530 10 H VAL 2 H VAL 2 -10.541 15.252 -7.043 11 HA VAL 2 HA VAL 2 -13.040 14.191 -6.005 12 HB VAL 2 HB VAL 2 -12.144 11.831 -6.663 13 HG11 VAL 2 1HG1 VAL 2 -14.305 12.677 -7.335 14 HG12 VAL 2 2HG1 VAL 2 -13.534 11.871 -8.701 15 HG13 VAL 2 3HG1 VAL 2 -13.563 13.632 -8.618 16 HG21 VAL 2 1HG2 VAL 2 -10.077 12.596 -7.705 17 HG22 VAL 2 2HG2 VAL 2 -11.003 13.520 -8.885 18 HG23 VAL 2 3HG2 VAL 2 -11.095 11.760 -8.875 19 H ASP 3 H ASP 3 -12.794 13.426 -4.030 20 HA ASP 3 HA ASP 3 -11.867 12.944 -2.017 21 HB2 ASP 3 2HB ASP 3 -10.225 11.274 -3.907 22 HB3 ASP 3 1HB ASP 3 -9.942 11.227 -2.169 23 H LEU 4 H LEU 4 -11.039 15.356 -3.094 24 HA LEU 4 HA LEU 4 -8.204 15.687 -2.696 25 HB2 LEU 4 2HB LEU 4 -8.524 17.963 -3.279 26 HB3 LEU 4 1HB LEU 4 -9.551 17.012 -4.333 27 HG LEU 4 HG LEU 4 -11.126 17.715 -2.096 28 HD11 LEU 4 1HD1 LEU 4 -11.032 20.152 -2.169 29 HD12 LEU 4 2HD1 LEU 4 -9.653 20.074 -3.263 30 HD13 LEU 4 3HD1 LEU 4 -9.501 19.475 -1.613 31 HD21 LEU 4 1HD2 LEU 4 -12.370 18.995 -3.809 32 HD22 LEU 4 2HD2 LEU 4 -11.992 17.342 -4.296 33 HD23 LEU 4 3HD2 LEU 4 -11.051 18.689 -4.941 34 H GLU 5 H GLU 5 -10.480 15.100 -0.532 35 HA GLU 5 HA GLU 5 -10.623 17.021 1.388 36 HB2 GLU 5 2HB GLU 5 -10.497 14.034 1.662 37 HB3 GLU 5 1HB GLU 5 -10.840 15.095 3.022 38 HG2 GLU 5 2HG GLU 5 -12.459 14.695 0.529 39 HG3 GLU 5 1HG GLU 5 -12.923 14.364 2.196 40 H GLN 6 H GLN 6 -7.736 15.387 0.555 41 HA GLN 6 HA GLN 6 -5.593 15.696 1.195 42 HB2 GLN 6 2HB GLN 6 -6.473 18.080 1.654 43 HB3 GLN 6 1HB GLN 6 -6.414 17.618 3.352 44 HG2 GLN 6 2HG GLN 6 -4.008 17.017 3.005 45 HG3 GLN 6 1HG GLN 6 -4.127 17.736 1.400 46 HE21 GLN 6 1HE2 GLN 6 -5.821 19.000 4.172 47 HE22 GLN 6 2HE2 GLN 6 -4.882 20.442 4.340 48 H GLU 7 H GLU 7 -7.752 14.099 2.904 49 HA GLU 7 HA GLU 7 -6.223 13.666 5.326 50 HB2 GLU 7 2HB GLU 7 -8.102 11.609 5.090 51 HB3 GLU 7 1HB GLU 7 -8.248 13.078 6.050 52 HG2 GLU 7 2HG GLU 7 -8.948 14.026 3.648 53 HG3 GLU 7 1HG GLU 7 -9.493 12.357 3.490 54 H PHE 8 H PHE 8 -5.544 13.019 2.380 55 HA PHE 8 HA PHE 8 -4.425 10.348 2.813 56 HB2 PHE 8 2HB PHE 8 -4.920 11.343 0.037 57 HB3 PHE 8 1HB PHE 8 -4.897 9.690 0.627 58 HD1 PHE 8 1HD PHE 8 -6.973 12.794 0.828 59 HD2 PHE 8 2HD PHE 8 -6.888 8.537 0.733 60 HE1 PHE 8 1HE PHE 8 -9.427 12.751 0.701 61 HE2 PHE 8 2HE PHE 8 -9.344 8.492 0.615 62 HZ PHE 8 HZ PHE 8 -10.612 10.602 0.595 63 H ALA 9 H ALA 9 -2.686 11.695 3.701 64 HA ALA 9 HA ALA 9 -0.962 12.611 1.610 65 HB1 ALA 9 1HB ALA 9 -2.304 14.580 2.065 66 HB2 ALA 9 2HB ALA 9 -0.652 14.825 2.624 67 HB3 ALA 9 3HB ALA 9 -1.931 14.464 3.783 68 H LEU 10 H LEU 10 0.597 14.103 3.480 69 HA LEU 10 HA LEU 10 2.407 12.100 4.225 70 HB2 LEU 10 2HB LEU 10 2.120 14.981 4.956 71 HB3 LEU 10 1HB LEU 10 3.411 13.994 5.620 72 HG LEU 10 HG LEU 10 3.622 13.528 2.901 73 HD11 LEU 10 1HD1 LEU 10 2.973 16.437 3.332 74 HD12 LEU 10 2HD1 LEU 10 2.023 15.280 2.399 75 HD13 LEU 10 3HD1 LEU 10 3.638 15.737 1.856 76 HD21 LEU 10 1HD2 LEU 10 5.640 14.864 3.048 77 HD22 LEU 10 2HD2 LEU 10 5.447 13.886 4.503 78 HD23 LEU 10 3HD2 LEU 10 5.071 15.611 4.540 79 H GLY 11 H GLY 11 1.983 10.583 5.664 80 HA2 GLY 11 2HA GLY 11 1.619 9.621 7.718 81 HA3 GLY 11 1HA GLY 11 1.708 11.226 8.424 82 H GLY 12 H GLY 12 -0.559 10.898 5.914 83 HA2 GLY 12 2HA GLY 12 -2.734 11.452 7.695 84 HA3 GLY 12 1HA GLY 12 -2.845 11.195 5.956 85 H ARG 13 H ARG 13 -4.412 10.176 8.302 86 HA ARG 13 HA ARG 13 -3.909 7.319 8.183 87 HB2 ARG 13 2HB ARG 13 -5.717 9.097 9.760 88 HB3 ARG 13 1HB ARG 13 -6.150 7.403 9.580 89 HG2 ARG 13 2HG ARG 13 -4.955 7.707 11.633 90 HG3 ARG 13 1HG ARG 13 -3.953 6.776 10.517 91 HD2 ARG 13 2HD ARG 13 -2.395 8.408 10.359 92 HD3 ARG 13 1HD ARG 13 -3.594 9.698 10.416 93 HE ARG 13 HE ARG 13 -3.538 8.634 12.956 94 HH11 ARG 13 1HH1 ARG 13 -1.231 10.170 10.791 95 HH12 ARG 13 2HH1 ARG 13 -0.292 10.859 12.088 96 HH21 ARG 13 1HH2 ARG 13 -2.290 9.497 14.633 97 HH22 ARG 13 2HH2 ARG 13 -0.870 10.432 14.281 98 H CYS 14 H CYS 14 -4.755 6.100 6.656 99 HA CYS 14 HA CYS 14 -7.338 6.849 5.496 100 HB2 CYS 14 2HB CYS 14 -4.743 6.520 4.048 101 HB3 CYS 14 1HB CYS 14 -6.247 6.084 3.244 102 HG CYS 14 HG CYS 14 -5.906 9.166 4.657 103 H LEU 15 H LEU 15 -8.281 5.160 4.220 104 HA LEU 15 HA LEU 15 -7.619 2.492 5.252 105 HB2 LEU 15 2HB LEU 15 -10.155 3.690 4.140 106 HB3 LEU 15 1HB LEU 15 -9.949 1.962 4.343 107 HG LEU 15 HG LEU 15 -9.650 3.866 6.649 108 HD11 LEU 15 1HD1 LEU 15 -11.854 4.227 5.693 109 HD12 LEU 15 2HD1 LEU 15 -11.970 3.368 7.229 110 HD13 LEU 15 3HD1 LEU 15 -12.159 2.493 5.709 111 HD21 LEU 15 1HD2 LEU 15 -10.256 0.920 6.447 112 HD22 LEU 15 2HD2 LEU 15 -10.203 1.852 7.944 113 HD23 LEU 15 3HD2 LEU 15 -8.740 1.645 6.978 114 H ALA 16 H ALA 16 -7.411 0.788 3.698 115 HA ALA 16 HA ALA 16 -7.398 1.673 0.915 116 HB1 ALA 16 1HB ALA 16 -5.176 0.703 0.518 117 HB2 ALA 16 2HB ALA 16 -5.017 0.381 2.244 118 HB3 ALA 16 3HB ALA 16 -5.117 2.043 1.664 119 H PHE 17 H PHE 17 -7.813 0.051 -0.551 120 HA PHE 17 HA PHE 17 -9.084 -2.239 0.683 121 HB2 PHE 17 2HB PHE 17 -9.199 -0.953 -1.988 122 HB3 PHE 17 1HB PHE 17 -9.523 -2.684 -1.923 123 HD1 PHE 17 1HD PHE 17 -10.792 0.616 -1.239 124 HD2 PHE 17 2HD PHE 17 -11.354 -3.528 -0.445 125 HE1 PHE 17 1HE PHE 17 -13.092 1.074 -0.477 126 HE2 PHE 17 2HE PHE 17 -13.647 -3.076 0.323 127 HZ PHE 17 HZ PHE 17 -14.518 -0.768 0.299 128 H HIS 18 H HIS 18 -7.770 -3.752 1.311 129 HA HIS 18 HA HIS 18 -5.734 -4.744 -0.562 130 HB2 HIS 18 2HB HIS 18 -5.280 -4.092 1.982 131 HB3 HIS 18 1HB HIS 18 -5.897 -5.717 2.264 132 HD2 HIS 18 2HD HIS 18 -2.795 -3.895 0.914 133 HE1 HIS 18 1HE HIS 18 -2.059 -8.054 0.684 134 HE2 HIS 18 2HE HIS 18 -1.085 -5.736 0.304 135 H GLY 19 H GLY 19 -6.715 -6.176 -1.826 136 HA2 GLY 19 2HA GLY 19 -7.772 -8.141 -2.418 137 HA3 GLY 19 1HA GLY 19 -7.793 -8.572 -0.709 138 HA PRO 20 HA PRO 20 -12.124 -7.540 -1.207 139 HB2 PRO 20 2HB PRO 20 -12.882 -9.128 0.938 140 HB3 PRO 20 1HB PRO 20 -12.724 -9.662 -0.738 141 HG2 PRO 20 2HG PRO 20 -11.138 -10.462 1.483 142 HG3 PRO 20 1HG PRO 20 -10.886 -10.881 -0.220 143 HD2 PRO 20 2HD PRO 20 -9.569 -8.785 1.427 144 HD3 PRO 20 1HD PRO 20 -8.942 -9.687 0.025 145 H LEU 21 H LEU 21 -10.098 -6.692 1.440 146 HA LEU 21 HA LEU 21 -12.390 -5.288 2.650 147 HB2 LEU 21 2HB LEU 21 -10.214 -6.835 3.978 148 HB3 LEU 21 1HB LEU 21 -11.017 -5.527 4.825 149 HG LEU 21 HG LEU 21 -12.193 -8.115 3.864 150 HD11 LEU 21 1HD1 LEU 21 -11.192 -8.065 6.084 151 HD12 LEU 21 2HD1 LEU 21 -12.943 -8.247 6.183 152 HD13 LEU 21 3HD1 LEU 21 -12.198 -6.684 6.513 153 HD21 LEU 21 1HD2 LEU 21 -13.616 -6.162 3.181 154 HD22 LEU 21 2HD2 LEU 21 -13.768 -5.772 4.896 155 HD23 LEU 21 3HD2 LEU 21 -14.381 -7.308 4.281 156 H MET 22 H MET 22 -11.764 -3.612 4.166 157 HA MET 22 HA MET 22 -9.850 -1.778 2.971 158 HB2 MET 22 2HB MET 22 -12.453 -1.519 4.184 159 HB3 MET 22 1HB MET 22 -11.298 -0.562 5.104 160 HG2 MET 22 2HG MET 22 -10.621 0.597 3.060 161 HG3 MET 22 1HG MET 22 -11.764 -0.370 2.132 162 HE1 MET 22 1HE MET 22 -14.334 -0.498 3.977 163 HE2 MET 22 2HE MET 22 -14.342 -0.150 2.250 164 HE3 MET 22 3HE MET 22 -15.216 0.899 3.365 165 H TYR 23 H TYR 23 -7.917 -1.619 3.880 166 HA TYR 23 HA TYR 23 -7.619 -2.393 6.709 167 HB2 TYR 23 2HB TYR 23 -5.646 -2.332 4.422 168 HB3 TYR 23 1HB TYR 23 -5.162 -2.552 6.097 169 HD1 TYR 23 1HD TYR 23 -7.912 -4.044 4.009 170 HD2 TYR 23 2HD TYR 23 -4.492 -4.730 6.454 171 HE1 TYR 23 1HE TYR 23 -8.234 -6.464 3.777 172 HE2 TYR 23 2HE TYR 23 -4.812 -7.160 6.222 173 HH TYR 23 HH TYR 23 -6.819 -8.514 3.903 174 H GLU 24 H GLU 24 -6.906 -0.884 8.166 175 HA GLU 24 HA GLU 24 -6.696 1.827 7.210 176 HB2 GLU 24 2HB GLU 24 -6.402 2.402 9.624 177 HB3 GLU 24 1HB GLU 24 -7.907 1.583 9.247 178 HG2 GLU 24 2HG GLU 24 -6.870 -0.531 10.068 179 HG3 GLU 24 1HG GLU 24 -5.477 0.419 10.579 180 H ALA 25 H ALA 25 -4.884 2.803 6.685 181 HA ALA 25 HA ALA 25 -2.380 1.750 7.781 182 HB1 ALA 25 1HB ALA 25 -2.756 0.783 5.553 183 HB2 ALA 25 2HB ALA 25 -1.327 1.821 5.613 184 HB3 ALA 25 3HB ALA 25 -2.821 2.414 4.881 185 H LYS 26 H LYS 26 -0.579 3.163 7.587 186 HA LYS 26 HA LYS 26 -1.349 5.996 7.720 187 HB2 LYS 26 2HB LYS 26 -0.299 5.023 9.735 188 HB3 LYS 26 1HB LYS 26 1.100 4.559 8.779 189 HG2 LYS 26 2HG LYS 26 1.588 6.909 8.337 190 HG3 LYS 26 1HG LYS 26 0.173 7.379 9.287 191 HD2 LYS 26 2HD LYS 26 1.168 6.217 11.238 192 HD3 LYS 26 1HD LYS 26 2.618 5.920 10.275 193 HE2 LYS 26 2HE LYS 26 3.163 8.182 10.185 194 HE3 LYS 26 1HE LYS 26 1.529 8.687 10.618 195 HZ1 LYS 26 1HZ LYS 26 2.555 8.984 12.602 196 HZ2 LYS 26 2HZ LYS 26 3.714 7.772 12.331 197 HZ3 LYS 26 3HZ LYS 26 2.136 7.348 12.784 198 H ILE 27 H ILE 27 -0.832 7.197 6.020 199 HA ILE 27 HA ILE 27 0.789 6.139 3.912 200 HB ILE 27 HB ILE 27 -0.212 8.975 4.147 201 HG12 ILE 27 2HG1 ILE 27 -1.650 6.741 2.721 202 HG13 ILE 27 1HG1 ILE 27 -1.980 7.101 4.412 203 HG21 ILE 27 1HG2 ILE 27 0.541 7.249 1.786 204 HG22 ILE 27 2HG2 ILE 27 1.445 8.624 2.418 205 HG23 ILE 27 3HG2 ILE 27 -0.135 8.875 1.680 206 HD11 ILE 27 1HD1 ILE 27 -2.306 9.005 2.108 207 HD12 ILE 27 2HD1 ILE 27 -2.668 9.353 3.798 208 HD13 ILE 27 3HD1 ILE 27 -3.602 8.137 2.927 209 H LEU 28 H LEU 28 2.848 6.199 3.733 210 HA LEU 28 HA LEU 28 4.373 8.075 5.373 211 HB2 LEU 28 2HB LEU 28 4.645 5.354 4.900 212 HB3 LEU 28 1HB LEU 28 5.910 6.080 3.920 213 HG LEU 28 HG LEU 28 6.411 7.397 6.142 214 HD11 LEU 28 1HD1 LEU 28 5.124 4.866 7.146 215 HD12 LEU 28 2HD1 LEU 28 4.543 6.512 7.406 216 HD13 LEU 28 3HD1 LEU 28 6.071 5.993 8.120 217 HD21 LEU 28 1HD2 LEU 28 7.220 4.523 5.737 218 HD22 LEU 28 2HD2 LEU 28 8.087 5.728 6.686 219 HD23 LEU 28 3HD2 LEU 28 7.951 5.914 4.938 220 H LYS 29 H LYS 29 3.700 7.254 2.046 221 HA LYS 29 HA LYS 29 5.323 9.557 1.226 222 HB2 LYS 29 2HB LYS 29 5.318 6.999 -0.375 223 HB3 LYS 29 1HB LYS 29 6.324 8.422 -0.616 224 HG2 LYS 29 2HG LYS 29 7.411 7.927 1.571 225 HG3 LYS 29 1HG LYS 29 6.496 6.419 1.622 226 HD2 LYS 29 2HD LYS 29 7.537 5.711 -0.478 227 HD3 LYS 29 1HD LYS 29 8.440 7.228 -0.547 228 HE2 LYS 29 2HE LYS 29 9.444 6.627 1.657 229 HE3 LYS 29 1HE LYS 29 8.680 5.045 1.512 230 HZ1 LYS 29 1HZ LYS 29 10.827 4.749 0.694 231 HZ2 LYS 29 2HZ LYS 29 10.818 6.202 -0.165 232 HZ3 LYS 29 3HZ LYS 29 9.885 4.896 -0.709 233 H ILE 30 H ILE 30 4.445 10.780 -0.328 234 HA ILE 30 HA ILE 30 1.813 9.973 -1.381 235 HB ILE 30 HB ILE 30 3.018 12.747 -1.471 236 HG12 ILE 30 2HG1 ILE 30 2.897 12.238 0.855 237 HG13 ILE 30 1HG1 ILE 30 1.494 13.239 0.480 238 HG21 ILE 30 1HG2 ILE 30 0.737 13.482 -1.820 239 HG22 ILE 30 2HG2 ILE 30 0.164 11.820 -1.675 240 HG23 ILE 30 3HG2 ILE 30 1.190 12.283 -3.031 241 HD11 ILE 30 1HD1 ILE 30 0.870 11.441 1.940 242 HD12 ILE 30 2HD1 ILE 30 1.532 10.256 0.814 243 HD13 ILE 30 3HD1 ILE 30 0.120 11.210 0.361 244 H TRP 31 H TRP 31 1.470 9.894 -3.632 245 HA TRP 31 HA TRP 31 3.991 10.129 -5.142 246 HB2 TRP 31 2HB TRP 31 3.286 7.865 -5.063 247 HB3 TRP 31 1HB TRP 31 1.637 8.302 -5.515 248 HD1 TRP 31 HD TRP 31 1.126 8.499 -8.040 249 HE1 TRP 31 1HE TRP 31 2.508 8.145 -10.199 250 HE3 TRP 31 3HE TRP 31 5.686 8.326 -5.918 251 HZ2 TRP 31 2HZ TRP 31 5.224 7.819 -10.854 252 HZ3 TRP 31 3HZ TRP 31 7.659 8.012 -7.357 253 HH2 TRP 31 HH TRP 31 7.420 7.766 -9.769 254 H ASP 32 H ASP 32 4.083 11.438 -6.828 255 HA ASP 32 HA ASP 32 1.575 12.608 -7.827 256 HB2 ASP 32 2HB ASP 32 3.141 14.227 -6.788 257 HB3 ASP 32 1HB ASP 32 4.362 13.776 -7.981 258 HA PRO 33 HA PRO 33 2.705 10.223 -11.468 259 HB2 PRO 33 2HB PRO 33 0.361 10.504 -12.743 260 HB3 PRO 33 1HB PRO 33 0.533 9.442 -11.337 261 HG2 PRO 33 2HG PRO 33 -0.565 12.228 -11.489 262 HG3 PRO 33 1HG PRO 33 -1.211 10.819 -10.626 263 HD2 PRO 33 2HD PRO 33 0.246 12.777 -9.411 264 HD3 PRO 33 1HD PRO 33 0.226 11.091 -8.852 265 H SER 34 H SER 34 2.332 13.517 -11.166 266 HA SER 34 HA SER 34 2.396 14.066 -14.035 267 HB2 SER 34 2HB SER 34 2.355 16.014 -11.715 268 HB3 SER 34 1HB SER 34 2.129 16.409 -13.421 269 HG SER 34 HG SER 34 0.307 14.839 -13.293 270 H SER 35 H SER 35 4.465 13.827 -11.321 271 HA SER 35 HA SER 35 6.687 14.976 -12.878 272 HB2 SER 35 2HB SER 35 6.728 14.655 -9.881 273 HB3 SER 35 1HB SER 35 7.682 15.748 -10.882 274 HG SER 35 HG SER 35 4.887 15.924 -10.320 275 H LYS 36 H LYS 36 5.514 12.396 -10.864 276 HA LYS 36 HA LYS 36 5.923 10.200 -10.866 277 HB2 LYS 36 2HB LYS 36 6.678 10.480 -13.277 278 HB3 LYS 36 1HB LYS 36 8.319 10.532 -12.643 279 HG2 LYS 36 2HG LYS 36 8.071 8.374 -11.664 280 HG3 LYS 36 1HG LYS 36 6.365 8.329 -12.107 281 HD2 LYS 36 2HD LYS 36 8.420 8.687 -14.250 282 HD3 LYS 36 1HD LYS 36 8.156 7.079 -13.577 283 HE2 LYS 36 2HE LYS 36 5.721 7.373 -14.072 284 HE3 LYS 36 1HE LYS 36 6.135 8.858 -14.923 285 HZ1 LYS 36 1HZ LYS 36 7.147 7.727 -16.611 286 HZ2 LYS 36 2HZ LYS 36 5.945 6.600 -16.190 287 HZ3 LYS 36 3HZ LYS 36 7.534 6.378 -15.647 288 H MET 37 H MET 37 6.713 12.067 -9.172 289 HA MET 37 HA MET 37 9.000 10.923 -7.851 290 HB2 MET 37 2HB MET 37 7.917 13.757 -7.670 291 HB3 MET 37 1HB MET 37 9.297 13.128 -6.784 292 HG2 MET 37 2HG MET 37 10.634 13.038 -8.699 293 HG3 MET 37 1HG MET 37 9.250 13.188 -9.780 294 HE1 MET 37 1HE MET 37 12.130 14.896 -9.635 295 HE2 MET 37 2HE MET 37 11.513 16.441 -10.219 296 HE3 MET 37 3HE MET 37 10.988 14.939 -10.980 297 H TYR 38 H TYR 38 8.594 11.519 -5.417 298 HA TYR 38 HA TYR 38 5.797 11.303 -4.725 299 HB2 TYR 38 2HB TYR 38 6.166 9.310 -3.301 300 HB3 TYR 38 1HB TYR 38 6.374 8.961 -5.010 301 HD1 TYR 38 1HD TYR 38 8.563 8.376 -5.902 302 HD2 TYR 38 2HD TYR 38 8.032 9.216 -1.772 303 HE1 TYR 38 1HE TYR 38 10.747 7.372 -5.414 304 HE2 TYR 38 2HE TYR 38 10.214 8.221 -1.275 305 HH TYR 38 HH TYR 38 11.732 6.223 -2.885 306 H THR 39 H THR 39 5.499 11.872 -2.459 307 HA THR 39 HA THR 39 7.912 13.130 -1.351 308 HB THR 39 HB THR 39 6.715 14.899 -0.517 309 HG1 THR 39 1HG THR 39 4.921 13.334 0.222 310 HG21 THR 39 1HG2 THR 39 5.355 14.134 -3.089 311 HG22 THR 39 2HG2 THR 39 6.828 15.091 -2.899 312 HG23 THR 39 3HG2 THR 39 5.278 15.733 -2.352 313 H SER 40 H SER 40 8.720 12.010 0.169 314 HA SER 40 HA SER 40 7.056 10.213 1.768 315 HB2 SER 40 2HB SER 40 9.059 9.360 0.526 316 HB3 SER 40 1HB SER 40 10.070 10.368 1.558 317 HG SER 40 HG SER 40 9.554 9.122 3.296 318 H ILE 41 H ILE 41 7.873 9.877 4.056 319 HA ILE 41 HA ILE 41 8.677 12.440 5.296 320 HB ILE 41 HB ILE 41 7.154 10.415 6.884 321 HG12 ILE 41 2HG1 ILE 41 5.598 12.451 5.337 322 HG13 ILE 41 1HG1 ILE 41 5.983 10.898 4.596 323 HG21 ILE 41 1HG2 ILE 41 8.065 12.387 7.956 324 HG22 ILE 41 2HG2 ILE 41 6.302 12.411 8.002 325 HG23 ILE 41 3HG2 ILE 41 7.167 13.426 6.847 326 HD11 ILE 41 1HD1 ILE 41 4.484 11.309 7.170 327 HD12 ILE 41 2HD1 ILE 41 4.887 9.750 6.449 328 HD13 ILE 41 3HD1 ILE 41 3.792 10.851 5.614 329 HA PRO 42 HA PRO 42 12.113 9.951 6.661 330 HB2 PRO 42 2HB PRO 42 12.544 12.043 8.691 331 HB3 PRO 42 1HB PRO 42 13.599 11.527 7.371 332 HG2 PRO 42 2HG PRO 42 12.322 13.899 7.326 333 HG3 PRO 42 1HG PRO 42 12.625 12.963 5.848 334 HD2 PRO 42 2HD PRO 42 10.107 13.226 7.446 335 HD3 PRO 42 1HD PRO 42 10.324 13.191 5.682 336 H ASN 43 H ASN 43 11.637 8.196 7.793 337 HA ASN 43 HA ASN 43 11.192 8.369 10.631 338 HB2 ASN 43 2HB ASN 43 8.932 8.168 8.936 339 HB3 ASN 43 1HB ASN 43 9.166 6.580 9.652 340 HD21 ASN 43 1HD2 ASN 43 9.897 9.738 11.054 341 HD22 ASN 43 2HD2 ASN 43 8.798 9.588 12.384 342 H ASP 44 H ASP 44 10.670 6.044 7.983 343 HA ASP 44 HA ASP 44 12.061 3.981 9.444 344 HB2 ASP 44 2HB ASP 44 10.179 3.316 8.044 345 HB3 ASP 44 1HB ASP 44 10.958 4.002 6.621 346 H LYS 45 H LYS 45 14.177 4.194 9.623 347 HA LYS 45 HA LYS 45 15.719 4.940 7.225 348 HB2 LYS 45 2HB LYS 45 16.493 5.376 10.115 349 HB3 LYS 45 1HB LYS 45 17.402 5.891 8.703 350 HG2 LYS 45 2HG LYS 45 16.200 7.756 8.477 351 HG3 LYS 45 1HG LYS 45 14.673 6.901 8.723 352 HD2 LYS 45 2HD LYS 45 15.123 8.603 10.469 353 HD3 LYS 45 1HD LYS 45 14.959 6.967 11.114 354 HE2 LYS 45 2HE LYS 45 17.473 6.804 11.066 355 HE3 LYS 45 1HE LYS 45 17.510 8.525 10.686 356 HZ1 LYS 45 1HZ LYS 45 16.112 7.463 13.068 357 HZ2 LYS 45 2HZ LYS 45 16.587 9.061 12.758 358 HZ3 LYS 45 3HZ LYS 45 17.756 7.878 13.101 359 HA PRO 46 HA PRO 46 17.354 0.791 7.860 360 HB2 PRO 46 2HB PRO 46 18.945 1.331 5.468 361 HB3 PRO 46 1HB PRO 46 17.659 0.143 5.700 362 HG2 PRO 46 2HG PRO 46 17.365 2.318 4.117 363 HG3 PRO 46 1HG PRO 46 16.016 1.593 5.010 364 HD2 PRO 46 2HD PRO 46 17.637 4.025 5.676 365 HD3 PRO 46 1HD PRO 46 15.881 3.769 5.805 366 H GLY 47 H GLY 47 18.772 3.774 8.039 367 HA2 GLY 47 2HA GLY 47 20.827 3.174 9.748 368 HA3 GLY 47 1HA GLY 47 21.543 3.094 8.143 369 H GLY 48 H GLY 48 21.082 5.027 6.728 370 HA2 GLY 48 2HA GLY 48 20.255 7.506 7.611 371 HA3 GLY 48 1HA GLY 48 21.948 7.381 8.082 372 H SER 49 H SER 49 21.288 9.341 6.326 373 HA SER 49 HA SER 49 22.300 8.278 3.784 374 HB2 SER 49 2HB SER 49 21.033 10.070 2.622 375 HB3 SER 49 1HB SER 49 19.977 8.971 3.505 376 HG SER 49 HG SER 49 19.400 10.552 4.798 377 H SER 50 H SER 50 21.943 11.590 3.625 378 HA SER 50 HA SER 50 24.212 12.550 4.982 379 HB2 SER 50 2HB SER 50 25.653 12.938 2.922 380 HB3 SER 50 1HB SER 50 25.575 11.270 3.490 381 HG SER 50 HG SER 50 24.332 10.722 1.789 382 H GLN 51 H GLN 51 23.301 13.164 1.639 383 HA GLN 51 HA GLN 51 22.753 15.958 2.245 384 HB2 GLN 51 2HB GLN 51 22.692 16.216 -0.192 385 HB3 GLN 51 1HB GLN 51 24.137 15.345 0.303 386 HG2 GLN 51 2HG GLN 51 22.831 13.221 -0.194 387 HG3 GLN 51 1HG GLN 51 21.668 14.265 -1.004 388 HE21 GLN 51 1HE2 GLN 51 23.283 12.166 -2.123 389 HE22 GLN 51 2HE2 GLN 51 24.248 12.891 -3.359 390 H ALA 52 H ALA 52 20.872 13.734 3.051 391 HA ALA 52 HA ALA 52 18.464 14.932 1.925 392 HB1 ALA 52 1HB ALA 52 18.976 12.988 0.498 393 HB2 ALA 52 2HB ALA 52 17.456 12.796 1.376 394 HB3 ALA 52 3HB ALA 52 18.906 11.947 1.919 395 H THR 53 H THR 53 16.674 13.086 2.969 396 HA THR 53 HA THR 53 15.441 12.570 4.737 397 HB THR 53 HB THR 53 16.572 11.983 6.944 398 HG1 THR 53 1HG THR 53 18.689 13.034 5.699 399 HG21 THR 53 1HG2 THR 53 17.363 9.844 6.031 400 HG22 THR 53 2HG2 THR 53 17.311 10.530 4.406 401 HG23 THR 53 3HG2 THR 53 15.820 10.338 5.330 402 H LYS 54 H LYS 54 17.538 15.306 5.177 403 HA LYS 54 HA LYS 54 16.168 16.306 7.484 404 HB2 LYS 54 2HB LYS 54 18.109 17.444 5.500 405 HB3 LYS 54 1HB LYS 54 17.255 18.525 6.594 406 HG2 LYS 54 2HG LYS 54 18.114 17.063 8.471 407 HG3 LYS 54 1HG LYS 54 19.179 16.328 7.268 408 HD2 LYS 54 2HD LYS 54 20.289 18.386 6.865 409 HD3 LYS 54 1HD LYS 54 19.056 19.300 7.732 410 HE2 LYS 54 2HE LYS 54 19.731 17.993 9.787 411 HE3 LYS 54 1HE LYS 54 21.127 17.445 8.859 412 HZ1 LYS 54 1HZ LYS 54 21.917 19.651 8.652 413 HZ2 LYS 54 2HZ LYS 54 21.506 19.453 10.285 414 HZ3 LYS 54 3HZ LYS 54 20.475 20.311 9.251 415 H GLU 55 H GLU 55 15.876 16.621 4.039 416 HA GLU 55 HA GLU 55 13.284 17.935 4.366 417 HB2 GLU 55 2HB GLU 55 14.131 19.128 2.085 418 HB3 GLU 55 1HB GLU 55 14.246 19.862 3.680 419 HG2 GLU 55 2HG GLU 55 16.544 19.090 3.884 420 HG3 GLU 55 1HG GLU 55 16.434 18.303 2.311 421 H ILE 56 H ILE 56 11.740 17.115 3.142 422 HA ILE 56 HA ILE 56 12.517 15.023 1.247 423 HB ILE 56 HB ILE 56 9.838 15.521 2.521 424 HG12 ILE 56 2HG1 ILE 56 11.555 14.630 4.073 425 HG13 ILE 56 1HG1 ILE 56 10.288 13.450 3.746 426 HG21 ILE 56 1HG2 ILE 56 10.793 13.358 0.644 427 HG22 ILE 56 2HG2 ILE 56 9.613 14.619 0.281 428 HG23 ILE 56 3HG2 ILE 56 9.234 13.372 1.470 429 HD11 ILE 56 1HD1 ILE 56 13.010 13.489 2.443 430 HD12 ILE 56 2HD1 ILE 56 11.750 12.276 2.206 431 HD13 ILE 56 3HD1 ILE 56 12.522 12.448 3.782 432 H LYS 57 H LYS 57 12.995 16.225 -0.472 433 HA LYS 57 HA LYS 57 10.962 17.919 -1.671 434 HB2 LYS 57 2HB LYS 57 12.766 17.986 -3.556 435 HB3 LYS 57 1HB LYS 57 13.102 18.817 -2.044 436 HG2 LYS 57 2HG LYS 57 14.025 16.118 -1.857 437 HG3 LYS 57 1HG LYS 57 14.651 16.851 -3.336 438 HD2 LYS 57 2HD LYS 57 14.938 17.901 -0.516 439 HD3 LYS 57 1HD LYS 57 16.213 17.224 -1.532 440 HE2 LYS 57 2HE LYS 57 15.713 19.089 -3.168 441 HE3 LYS 57 1HE LYS 57 14.717 19.807 -1.903 442 HZ1 LYS 57 1HZ LYS 57 16.698 19.843 -0.465 443 HZ2 LYS 57 2HZ LYS 57 16.895 20.777 -1.867 444 HZ3 LYS 57 3HZ LYS 57 17.632 19.255 -1.756 445 HA PRO 58 HA PRO 58 9.105 14.686 -4.041 446 HB2 PRO 58 2HB PRO 58 9.540 16.259 -6.521 447 HB3 PRO 58 1HB PRO 58 8.042 15.614 -5.836 448 HG2 PRO 58 2HG PRO 58 8.608 18.225 -5.713 449 HG3 PRO 58 1HG PRO 58 7.784 17.394 -4.386 450 HD2 PRO 58 2HD PRO 58 10.630 18.266 -4.600 451 HD3 PRO 58 1HD PRO 58 9.557 18.259 -3.187 452 H GLN 59 H GLN 59 10.340 12.927 -4.155 453 HA GLN 59 HA GLN 59 12.700 12.951 -5.909 454 HB2 GLN 59 2HB GLN 59 12.016 11.020 -3.677 455 HB3 GLN 59 1HB GLN 59 13.504 11.033 -4.612 456 HG2 GLN 59 2HG GLN 59 14.123 13.165 -3.691 457 HG3 GLN 59 1HG GLN 59 12.582 13.293 -2.849 458 HE21 GLN 59 1HE2 GLN 59 12.711 10.376 -2.202 459 HE22 GLN 59 2HE2 GLN 59 13.831 10.259 -0.894 460 H LYS 60 H LYS 60 12.783 11.627 -7.628 461 HA LYS 60 HA LYS 60 10.454 10.400 -8.605 462 HB2 LYS 60 2HB LYS 60 13.297 10.542 -9.559 463 HB3 LYS 60 1HB LYS 60 12.127 9.504 -10.359 464 HG2 LYS 60 2HG LYS 60 10.672 11.567 -10.586 465 HG3 LYS 60 1HG LYS 60 12.100 12.489 -10.115 466 HD2 LYS 60 2HD LYS 60 13.302 11.791 -12.015 467 HD3 LYS 60 1HD LYS 60 12.131 10.522 -12.382 468 HE2 LYS 60 2HE LYS 60 10.450 12.211 -12.904 469 HE3 LYS 60 1HE LYS 60 11.600 13.488 -12.509 470 HZ1 LYS 60 1HZ LYS 60 11.974 11.489 -14.672 471 HZ2 LYS 60 2HZ LYS 60 12.989 12.800 -14.328 472 HZ3 LYS 60 3HZ LYS 60 11.425 13.079 -14.908 473 H LEU 61 H LEU 61 10.158 8.230 -9.105 474 HA LEU 61 HA LEU 61 10.692 6.465 -7.025 475 HB2 LEU 61 2HB LEU 61 9.584 6.241 -9.743 476 HB3 LEU 61 1HB LEU 61 10.113 4.756 -8.983 477 HG LEU 61 HG LEU 61 7.982 6.651 -8.055 478 HD11 LEU 61 1HD1 LEU 61 7.976 3.714 -8.739 479 HD12 LEU 61 2HD1 LEU 61 7.374 5.017 -9.765 480 HD13 LEU 61 3HD1 LEU 61 6.585 4.667 -8.227 481 HD21 LEU 61 1HD2 LEU 61 9.315 6.058 -6.136 482 HD22 LEU 61 2HD2 LEU 61 9.235 4.351 -6.572 483 HD23 LEU 61 3HD2 LEU 61 7.772 5.206 -6.082 484 H GLY 62 H GLY 62 12.467 5.533 -6.451 485 HA2 GLY 62 2HA GLY 62 14.690 5.071 -8.165 486 HA3 GLY 62 1HA GLY 62 14.455 4.365 -6.564 487 H GLU 63 H GLU 63 15.505 2.770 -8.572 488 HA GLU 63 HA GLU 63 13.409 1.365 -9.968 489 HB2 GLU 63 2HB GLU 63 16.216 0.364 -9.600 490 HB3 GLU 63 1HB GLU 63 15.111 0.075 -10.939 491 HG2 GLU 63 2HG GLU 63 15.263 2.438 -11.551 492 HG3 GLU 63 1HG GLU 63 16.422 2.682 -10.246 493 H ASP 64 H ASP 64 13.585 1.442 -6.929 494 HA ASP 64 HA ASP 64 13.303 -1.470 -6.528 495 HB2 ASP 64 2HB ASP 64 15.341 -0.602 -5.422 496 HB3 ASP 64 1HB ASP 64 14.355 0.544 -4.521 497 H GLU 65 H GLU 65 11.691 1.414 -6.642 498 HA GLU 65 HA GLU 65 9.701 0.544 -4.646 499 HB2 GLU 65 2HB GLU 65 10.799 3.184 -5.392 500 HB3 GLU 65 1HB GLU 65 9.157 3.102 -4.751 501 HG2 GLU 65 2HG GLU 65 10.103 1.847 -2.789 502 HG3 GLU 65 1HG GLU 65 11.705 2.239 -3.402 503 H SER 66 H SER 66 10.057 0.196 -7.634 504 HA SER 66 HA SER 66 8.392 1.369 -9.334 505 HB2 SER 66 2HB SER 66 8.182 -1.618 -9.054 506 HB3 SER 66 1HB SER 66 8.243 -0.647 -10.524 507 HG SER 66 HG SER 66 10.234 -1.717 -10.085 508 H ILE 67 H ILE 67 6.385 2.059 -9.331 509 HA ILE 67 HA ILE 67 4.453 0.970 -7.431 510 HB ILE 67 HB ILE 67 4.442 3.463 -9.126 511 HG12 ILE 67 2HG1 ILE 67 4.681 3.075 -6.143 512 HG13 ILE 67 1HG1 ILE 67 6.012 3.455 -7.233 513 HG21 ILE 67 1HG2 ILE 67 2.164 2.667 -8.833 514 HG22 ILE 67 2HG2 ILE 67 2.443 4.144 -7.908 515 HG23 ILE 67 3HG2 ILE 67 2.408 2.581 -7.089 516 HD11 ILE 67 1HD1 ILE 67 3.618 5.183 -6.695 517 HD12 ILE 67 2HD1 ILE 67 4.933 5.560 -7.809 518 HD13 ILE 67 3HD1 ILE 67 5.251 5.432 -6.077 519 HA PRO 68 HA PRO 68 2.104 -1.370 -10.473 520 HB2 PRO 68 2HB PRO 68 -0.132 -0.168 -8.903 521 HB3 PRO 68 1HB PRO 68 0.083 -1.835 -9.455 522 HG2 PRO 68 2HG PRO 68 0.585 -1.193 -6.932 523 HG3 PRO 68 1HG PRO 68 1.640 -2.320 -7.803 524 HD2 PRO 68 2HD PRO 68 2.124 0.512 -7.035 525 HD3 PRO 68 1HD PRO 68 3.279 -0.823 -7.215 526 H GLU 69 H GLU 69 1.643 -0.751 -12.468 527 HA GLU 69 HA GLU 69 1.410 1.906 -13.301 528 HB2 GLU 69 2HB GLU 69 0.624 -0.630 -14.724 529 HB3 GLU 69 1HB GLU 69 0.751 0.946 -15.494 530 HG2 GLU 69 2HG GLU 69 3.066 1.013 -15.250 531 HG3 GLU 69 1HG GLU 69 3.057 -0.244 -14.013 532 H GLU 70 H GLU 70 -0.926 0.234 -11.687 533 HA GLU 70 HA GLU 70 -3.184 1.405 -13.123 534 HB2 GLU 70 2HB GLU 70 -4.565 0.149 -11.495 535 HB3 GLU 70 1HB GLU 70 -3.449 -0.896 -12.369 536 HG2 GLU 70 2HG GLU 70 -2.037 -1.120 -10.502 537 HG3 GLU 70 1HG GLU 70 -2.812 0.217 -9.655 538 H ILE 71 H ILE 71 -1.096 2.110 -10.546 539 HA ILE 71 HA ILE 71 -2.983 4.115 -9.493 540 HB ILE 71 HB ILE 71 -2.037 3.802 -7.268 541 HG12 ILE 71 2HG1 ILE 71 -0.300 1.757 -8.660 542 HG13 ILE 71 1HG1 ILE 71 0.227 3.177 -7.765 543 HG21 ILE 71 1HG2 ILE 71 -3.937 2.387 -7.979 544 HG22 ILE 71 2HG2 ILE 71 -2.909 1.588 -6.788 545 HG23 ILE 71 3HG2 ILE 71 -2.792 1.147 -8.492 546 HD11 ILE 71 1HD1 ILE 71 -0.608 2.157 -5.695 547 HD12 ILE 71 2HD1 ILE 71 0.625 1.175 -6.486 548 HD13 ILE 71 3HD1 ILE 71 -1.076 0.726 -6.612 549 H ILE 72 H ILE 72 0.142 3.449 -10.717 550 HA ILE 72 HA ILE 72 1.662 5.585 -9.694 551 HB ILE 72 HB ILE 72 2.391 3.550 -10.962 552 HG12 ILE 72 2HG1 ILE 72 3.717 5.782 -10.406 553 HG13 ILE 72 1HG1 ILE 72 4.453 4.452 -11.286 554 HG21 ILE 72 1HG2 ILE 72 1.730 5.245 -13.348 555 HG22 ILE 72 2HG2 ILE 72 1.009 3.694 -12.911 556 HG23 ILE 72 3HG2 ILE 72 2.703 3.776 -13.399 557 HD11 ILE 72 1HD1 ILE 72 3.251 6.916 -12.532 558 HD12 ILE 72 2HD1 ILE 72 4.035 5.593 -13.394 559 HD13 ILE 72 3HD1 ILE 72 4.969 6.606 -12.295 560 H ASN 73 H ASN 73 -0.771 5.511 -12.162 561 HA ASN 73 HA ASN 73 -0.035 8.240 -12.941 562 HB2 ASN 73 2HB ASN 73 -1.183 5.953 -14.385 563 HB3 ASN 73 1HB ASN 73 -1.959 7.494 -14.733 564 HD21 ASN 73 1HD2 ASN 73 -0.377 5.838 -16.480 565 HD22 ASN 73 2HD2 ASN 73 0.972 6.793 -16.980 566 H GLY 74 H GLY 74 -1.620 7.131 -10.566 567 HA2 GLY 74 2HA GLY 74 -3.801 9.111 -10.881 568 HA3 GLY 74 1HA GLY 74 -4.230 7.477 -10.408 569 H LYS 75 H LYS 75 -1.602 9.651 -9.407 570 HA LYS 75 HA LYS 75 -0.763 10.185 -7.363 571 HB2 LYS 75 2HB LYS 75 -3.026 11.481 -7.603 572 HB3 LYS 75 1HB LYS 75 -3.535 10.446 -6.280 573 HG2 LYS 75 2HG LYS 75 -2.745 12.217 -5.095 574 HG3 LYS 75 1HG LYS 75 -1.250 11.287 -5.242 575 HD2 LYS 75 2HD LYS 75 -0.782 12.644 -7.348 576 HD3 LYS 75 1HD LYS 75 -2.113 13.690 -6.849 577 HE2 LYS 75 2HE LYS 75 -0.938 14.097 -4.708 578 HE3 LYS 75 1HE LYS 75 0.408 13.118 -5.288 579 HZ1 LYS 75 1HZ LYS 75 0.910 15.425 -5.619 580 HZ2 LYS 75 2HZ LYS 75 -0.540 15.682 -6.451 581 HZ3 LYS 75 3HZ LYS 75 0.667 14.723 -7.146 582 H CYS 76 H CYS 76 0.251 8.616 -6.345 583 HA CYS 76 HA CYS 76 -1.387 6.503 -5.120 584 HB2 CYS 76 2HB CYS 76 0.392 5.948 -6.866 585 HB3 CYS 76 1HB CYS 76 1.576 6.347 -5.627 586 HG CYS 76 HG CYS 76 -0.718 4.211 -4.538 587 H PHE 77 H PHE 77 -0.371 5.512 -3.154 588 HA PHE 77 HA PHE 77 0.993 7.452 -1.457 589 HB2 PHE 77 2HB PHE 77 -1.593 6.055 -0.747 590 HB3 PHE 77 1HB PHE 77 -0.612 6.987 0.379 591 HD1 PHE 77 1HD PHE 77 -3.331 7.080 -1.790 592 HD2 PHE 77 2HD PHE 77 -0.077 9.440 -0.416 593 HE1 PHE 77 1HE PHE 77 -4.529 9.115 -2.457 594 HE2 PHE 77 2HE PHE 77 -1.272 11.481 -1.077 595 HZ PHE 77 HZ PHE 77 -3.501 11.321 -2.114 596 H PHE 78 H PHE 78 2.692 6.461 -0.677 597 HA PHE 78 HA PHE 78 2.781 3.566 -0.488 598 HB2 PHE 78 2HB PHE 78 4.760 4.852 -1.272 599 HB3 PHE 78 1HB PHE 78 4.851 5.645 0.295 600 HD1 PHE 78 1HD PHE 78 5.878 4.580 2.154 601 HD2 PHE 78 2HD PHE 78 5.246 2.443 -1.474 602 HE1 PHE 78 1HE PHE 78 7.365 2.795 2.953 603 HE2 PHE 78 2HE PHE 78 6.735 0.654 -0.681 604 HZ PHE 78 HZ PHE 78 7.795 0.828 1.531 605 H ILE 79 H ILE 79 1.497 2.902 1.138 606 HA ILE 79 HA ILE 79 1.692 4.280 3.733 607 HB ILE 79 HB ILE 79 -0.339 3.330 4.378 608 HG12 ILE 79 2HG1 ILE 79 0.493 1.095 3.044 609 HG13 ILE 79 1HG1 ILE 79 -1.096 1.298 3.762 610 HG21 ILE 79 1HG2 ILE 79 -1.940 3.912 2.613 611 HG22 ILE 79 2HG2 ILE 79 -0.616 3.986 1.450 612 HG23 ILE 79 3HG2 ILE 79 -0.672 5.126 2.795 613 HD11 ILE 79 1HD1 ILE 79 -1.975 2.015 1.606 614 HD12 ILE 79 2HD1 ILE 79 -1.251 0.406 1.520 615 HD13 ILE 79 3HD1 ILE 79 -0.375 1.804 0.892 616 H HIS 80 H HIS 80 1.403 2.951 5.541 617 HA HIS 80 HA HIS 80 2.724 0.355 5.399 618 HB2 HIS 80 2HB HIS 80 4.441 1.687 6.246 619 HB3 HIS 80 1HB HIS 80 3.327 2.790 7.039 620 HD1 HIS 80 1HD HIS 80 5.138 -0.439 7.527 621 HD2 HIS 80 2HD HIS 80 2.575 2.110 9.559 622 HE1 HIS 80 1HE HIS 80 5.186 -1.218 9.935 623 HE2 HIS 80 2HE HIS 80 3.515 0.263 11.134 624 H TYR 81 H TYR 81 0.935 -0.836 5.669 625 HA TYR 81 HA TYR 81 -1.437 -0.173 6.870 626 HB2 TYR 81 2HB TYR 81 -0.167 -2.917 6.734 627 HB3 TYR 81 1HB TYR 81 -1.869 -2.599 7.071 628 HD1 TYR 81 1HD TYR 81 -3.166 -1.233 5.267 629 HD2 TYR 81 2HD TYR 81 0.538 -3.194 4.536 630 HE1 TYR 81 1HE TYR 81 -3.609 -1.161 2.848 631 HE2 TYR 81 2HE TYR 81 0.103 -3.124 2.117 632 HH TYR 81 HH TYR 81 -1.488 -2.775 0.540 633 H GLN 82 H GLN 82 -1.936 0.406 8.802 634 HA GLN 82 HA GLN 82 -0.215 0.348 11.013 635 HB2 GLN 82 2HB GLN 82 -3.203 0.743 10.875 636 HB3 GLN 82 1HB GLN 82 -2.246 0.998 12.325 637 HG2 GLN 82 2HG GLN 82 -0.925 2.696 11.094 638 HG3 GLN 82 1HG GLN 82 -2.027 2.501 9.732 639 HE21 GLN 82 1HE2 GLN 82 -4.347 2.120 11.455 640 HE22 GLN 82 2HE2 GLN 82 -4.734 3.678 12.085 641 H GLY 83 H GLY 83 0.265 -1.158 12.446 642 HA2 GLY 83 2HA GLY 83 -0.190 -2.866 13.987 643 HA3 GLY 83 1HA GLY 83 -1.694 -3.195 13.145 644 H TRP 84 H TRP 84 0.559 -2.991 10.772 645 HA TRP 84 HA TRP 84 0.867 -5.901 10.760 646 HB2 TRP 84 2HB TRP 84 0.678 -3.826 8.653 647 HB3 TRP 84 1HB TRP 84 1.703 -5.214 8.310 648 HD1 TRP 84 HD TRP 84 -1.662 -4.153 7.719 649 HE1 TRP 84 1HE TRP 84 -3.267 -6.136 7.388 650 HE3 TRP 84 3HE TRP 84 1.272 -7.896 9.602 651 HZ2 TRP 84 2HZ TRP 84 -3.286 -8.919 7.863 652 HZ3 TRP 84 3HZ TRP 84 0.382 -10.189 9.636 653 HH2 TRP 84 HH TRP 84 -1.850 -10.689 8.784 654 H LYS 85 H LYS 85 3.002 -4.710 8.584 655 HA LYS 85 HA LYS 85 5.257 -4.436 10.412 656 HB2 LYS 85 2HB LYS 85 4.999 -6.868 9.972 657 HB3 LYS 85 1HB LYS 85 5.142 -6.552 8.250 658 HG2 LYS 85 2HG LYS 85 7.419 -5.627 8.695 659 HG3 LYS 85 1HG LYS 85 7.254 -6.191 10.360 660 HD2 LYS 85 2HD LYS 85 7.007 -7.969 7.932 661 HD3 LYS 85 1HD LYS 85 8.495 -7.765 8.864 662 HE2 LYS 85 2HE LYS 85 7.414 -8.652 10.841 663 HE3 LYS 85 1HE LYS 85 5.871 -8.742 9.990 664 HZ1 LYS 85 1HZ LYS 85 8.324 -10.307 9.392 665 HZ2 LYS 85 2HZ LYS 85 6.925 -10.319 8.435 666 HZ3 LYS 85 3HZ LYS 85 6.857 -10.903 10.024 667 H SER 86 H SER 86 7.252 -3.763 9.240 668 HA SER 86 HA SER 86 6.751 -1.719 7.386 669 HB2 SER 86 2HB SER 86 9.452 -3.016 7.630 670 HB3 SER 86 1HB SER 86 9.042 -1.304 7.472 671 HG SER 86 HG SER 86 9.259 -1.291 9.552 672 H SER 87 H SER 87 7.306 -5.111 6.926 673 HA SER 87 HA SER 87 8.084 -4.915 4.169 674 HB2 SER 87 2HB SER 87 6.945 -7.360 5.528 675 HB3 SER 87 1HB SER 87 8.040 -7.294 4.147 676 HG SER 87 HG SER 87 9.679 -6.589 5.490 677 H TRP 88 H TRP 88 5.239 -4.398 5.772 678 HA TRP 88 HA TRP 88 3.530 -5.377 3.614 679 HB2 TRP 88 2HB TRP 88 2.999 -4.417 6.405 680 HB3 TRP 88 1HB TRP 88 1.710 -4.371 5.207 681 HD1 TRP 88 HD TRP 88 3.737 -6.786 7.326 682 HE1 TRP 88 1HE TRP 88 2.693 -9.136 7.155 683 HE3 TRP 88 3HE TRP 88 0.367 -5.887 3.595 684 HZ2 TRP 88 2HZ TRP 88 0.697 -10.433 5.624 685 HZ3 TRP 88 3HZ TRP 88 -1.074 -7.728 2.835 686 HH2 TRP 88 HH TRP 88 -0.909 -9.953 3.829 687 H ASP 89 H ASP 89 5.335 -2.732 4.255 688 HA ASP 89 HA ASP 89 3.625 -0.568 3.677 689 HB2 ASP 89 2HB ASP 89 6.600 -0.964 3.323 690 HB3 ASP 89 1HB ASP 89 5.798 0.551 2.925 691 H GLU 90 H GLU 90 2.395 -0.480 1.912 692 HA GLU 90 HA GLU 90 3.588 -1.253 -0.665 693 HB2 GLU 90 2HB GLU 90 1.092 -2.151 0.616 694 HB3 GLU 90 1HB GLU 90 0.925 -1.675 -1.068 695 HG2 GLU 90 2HG GLU 90 2.695 -3.243 -1.681 696 HG3 GLU 90 1HG GLU 90 2.844 -3.730 0.008 697 H TRP 91 H TRP 91 2.079 -0.441 -2.490 698 HA TRP 91 HA TRP 91 1.632 2.427 -2.028 699 HB2 TRP 91 2HB TRP 91 2.293 0.808 -4.480 700 HB3 TRP 91 1HB TRP 91 1.637 2.428 -4.607 701 HD1 TRP 91 HD TRP 91 4.836 0.553 -4.074 702 HE1 TRP 91 1HE TRP 91 6.782 2.225 -3.928 703 HE3 TRP 91 3HE TRP 91 2.172 4.905 -3.589 704 HZ2 TRP 91 2HZ TRP 91 7.140 5.012 -3.648 705 HZ3 TRP 91 3HZ TRP 91 3.419 7.025 -3.380 706 HH2 TRP 91 HH TRP 91 5.849 7.066 -3.401 707 H VAL 92 H VAL 92 -0.439 3.115 -2.016 708 HA VAL 92 HA VAL 92 -2.417 1.505 -3.494 709 HB VAL 92 HB VAL 92 -4.149 2.443 -1.942 710 HG11 VAL 92 1HG1 VAL 92 -2.017 0.671 -0.755 711 HG12 VAL 92 2HG1 VAL 92 -3.402 0.161 -1.720 712 HG13 VAL 92 3HG1 VAL 92 -3.653 0.859 -0.122 713 HG21 VAL 92 1HG2 VAL 92 -2.870 4.331 -1.073 714 HG22 VAL 92 2HG2 VAL 92 -1.751 3.219 -0.279 715 HG23 VAL 92 3HG2 VAL 92 -3.440 3.292 0.232 716 H GLY 93 H GLY 93 -4.080 2.682 -4.598 717 HA2 GLY 93 2HA GLY 93 -3.255 5.466 -5.175 718 HA3 GLY 93 1HA GLY 93 -4.015 4.403 -6.354 719 H TYR 94 H TYR 94 -5.062 6.870 -5.911 720 HA TYR 94 HA TYR 94 -7.007 7.289 -4.017 721 HB2 TYR 94 2HB TYR 94 -6.429 8.236 -6.711 722 HB3 TYR 94 1HB TYR 94 -8.147 8.283 -6.330 723 HD1 TYR 94 1HD TYR 94 -7.722 10.779 -6.695 724 HD2 TYR 94 2HD TYR 94 -6.124 8.571 -3.439 725 HE1 TYR 94 1HE TYR 94 -7.398 12.858 -5.459 726 HE2 TYR 94 2HE TYR 94 -5.795 10.635 -2.181 727 HH TYR 94 HH TYR 94 -7.252 13.360 -2.701 728 H ASP 95 H ASP 95 -7.009 4.920 -6.348 729 HA ASP 95 HA ASP 95 -9.934 4.585 -6.326 730 HB2 ASP 95 2HB ASP 95 -8.511 4.691 -8.516 731 HB3 ASP 95 1HB ASP 95 -8.104 3.023 -8.127 732 H ARG 96 H ARG 96 -7.258 3.549 -4.750 733 HA ARG 96 HA ARG 96 -8.507 0.963 -4.068 734 HB2 ARG 96 2HB ARG 96 -5.527 1.436 -4.004 735 HB3 ARG 96 1HB ARG 96 -6.379 -0.095 -3.895 736 HG2 ARG 96 2HG ARG 96 -6.554 1.543 -6.387 737 HG3 ARG 96 1HG ARG 96 -5.141 0.539 -6.067 738 HD2 ARG 96 2HD ARG 96 -6.328 -1.058 -7.090 739 HD3 ARG 96 1HD ARG 96 -7.133 -1.205 -5.528 740 HE ARG 96 HE ARG 96 -8.925 0.177 -6.414 741 HH11 ARG 96 1HH1 ARG 96 -6.616 -1.015 -8.792 742 HH12 ARG 96 2HH1 ARG 96 -7.762 -0.948 -10.096 743 HH21 ARG 96 1HH2 ARG 96 -10.424 0.252 -8.145 744 HH22 ARG 96 2HH2 ARG 96 -9.917 -0.243 -9.735 745 H ILE 97 H ILE 97 -7.877 3.962 -3.114 746 HA ILE 97 HA ILE 97 -7.492 3.225 -0.298 747 HB ILE 97 HB ILE 97 -5.496 4.338 -1.353 748 HG12 ILE 97 2HG1 ILE 97 -6.835 6.000 0.757 749 HG13 ILE 97 1HG1 ILE 97 -6.021 4.472 1.070 750 HG21 ILE 97 1HG2 ILE 97 -7.362 6.683 -1.482 751 HG22 ILE 97 2HG2 ILE 97 -6.633 5.836 -2.853 752 HG23 ILE 97 3HG2 ILE 97 -5.619 6.747 -1.730 753 HD11 ILE 97 1HD1 ILE 97 -4.568 6.704 -0.266 754 HD12 ILE 97 2HD1 ILE 97 -3.930 5.371 0.698 755 HD13 ILE 97 3HD1 ILE 97 -4.778 6.701 1.486 756 H ARG 98 H ARG 98 -8.600 4.454 1.217 757 HA ARG 98 HA ARG 98 -10.672 6.300 0.240 758 HB2 ARG 98 2HB ARG 98 -11.074 4.200 2.388 759 HB3 ARG 98 1HB ARG 98 -12.270 5.367 1.847 760 HG2 ARG 98 2HG ARG 98 -11.160 3.019 0.338 761 HG3 ARG 98 1HG ARG 98 -12.819 3.289 0.869 762 HD2 ARG 98 2HD ARG 98 -11.317 4.783 -1.279 763 HD3 ARG 98 1HD ARG 98 -12.683 3.691 -1.497 764 HE ARG 98 HE ARG 98 -14.072 5.365 -0.372 765 HH11 ARG 98 1HH1 ARG 98 -10.946 6.402 -1.604 766 HH12 ARG 98 2HH1 ARG 98 -11.414 8.083 -1.706 767 HH21 ARG 98 1HH2 ARG 98 -14.653 7.589 -0.505 768 HH22 ARG 98 2HH2 ARG 98 -13.497 8.744 -1.109 769 H ALA 99 H ALA 99 -11.694 7.150 2.606 770 HA ALA 99 HA ALA 99 -9.355 8.331 3.877 771 HB1 ALA 99 1HB ALA 99 -12.211 9.333 3.794 772 HB2 ALA 99 2HB ALA 99 -10.861 9.975 2.858 773 HB3 ALA 99 3HB ALA 99 -10.865 10.123 4.617 774 H TYR 100 H TYR 100 -9.020 7.887 5.905 775 HA TYR 100 HA TYR 100 -10.589 5.893 7.211 776 HB2 TYR 100 2HB TYR 100 -8.149 6.049 7.282 777 HB3 TYR 100 1HB TYR 100 -8.279 7.600 8.071 778 HD1 TYR 100 1HD TYR 100 -8.583 7.709 10.483 779 HD2 TYR 100 2HD TYR 100 -8.788 3.987 8.436 780 HE1 TYR 100 1HE TYR 100 -8.456 6.524 12.640 781 HE2 TYR 100 2HE TYR 100 -8.664 2.793 10.575 782 HH TYR 100 HH TYR 100 -7.827 3.173 12.849 783 H ASN 101 H ASN 101 -12.585 6.700 7.645 784 HA ASN 101 HA ASN 101 -12.774 8.703 9.744 785 HB2 ASN 101 2HB ASN 101 -14.615 9.883 8.551 786 HB3 ASN 101 1HB ASN 101 -13.057 10.051 7.752 787 HD21 ASN 101 1HD2 ASN 101 -13.336 10.072 5.640 788 HD22 ASN 101 2HD2 ASN 101 -14.384 9.027 4.742 789 H GLU 102 H GLU 102 -15.280 8.900 10.250 790 HA GLU 102 HA GLU 102 -15.959 6.338 11.272 791 HB2 GLU 102 2HB GLU 102 -17.458 8.949 11.269 792 HB3 GLU 102 1HB GLU 102 -17.997 7.510 12.126 793 HG2 GLU 102 2HG GLU 102 -16.003 7.529 13.486 794 HG3 GLU 102 1HG GLU 102 -15.366 8.897 12.572 795 H GLU 103 H GLU 103 -16.574 7.628 8.217 796 HA GLU 103 HA GLU 103 -19.091 6.159 7.965 797 HB2 GLU 103 2HB GLU 103 -18.747 8.531 7.050 798 HB3 GLU 103 1HB GLU 103 -17.796 7.766 5.779 799 HG2 GLU 103 2HG GLU 103 -19.864 7.875 4.798 800 HG3 GLU 103 1HG GLU 103 -19.899 6.258 5.498 801 H ASN 104 H ASN 104 -15.818 6.230 6.584 802 HA ASN 104 HA ASN 104 -16.396 4.022 4.803 803 HB2 ASN 104 2HB ASN 104 -13.892 5.567 5.463 804 HB3 ASN 104 1HB ASN 104 -13.840 4.116 4.464 805 HD21 ASN 104 1HD2 ASN 104 -15.025 4.132 2.466 806 HD22 ASN 104 2HD2 ASN 104 -15.331 5.626 1.652 807 H ILE 105 H ILE 105 -14.836 4.535 7.886 808 HA ILE 105 HA ILE 105 -13.703 1.955 8.152 809 HB ILE 105 HB ILE 105 -14.535 3.954 10.202 810 HG12 ILE 105 2HG1 ILE 105 -11.794 3.226 9.173 811 HG13 ILE 105 1HG1 ILE 105 -12.725 4.625 8.629 812 HG21 ILE 105 1HG2 ILE 105 -13.148 2.709 11.778 813 HG22 ILE 105 2HG2 ILE 105 -12.876 1.478 10.545 814 HG23 ILE 105 3HG2 ILE 105 -14.498 1.743 11.182 815 HD11 ILE 105 1HD1 ILE 105 -12.712 5.508 10.883 816 HD12 ILE 105 2HD1 ILE 105 -11.077 5.248 10.278 817 HD13 ILE 105 3HD1 ILE 105 -11.784 4.113 11.430 818 H ALA 106 H ALA 106 -16.816 3.387 8.789 819 HA ALA 106 HA ALA 106 -17.946 1.490 10.461 820 HB1 ALA 106 1HB ALA 106 -18.995 3.639 9.929 821 HB2 ALA 106 2HB ALA 106 -20.106 2.290 9.692 822 HB3 ALA 106 3HB ALA 106 -19.342 3.060 8.299 823 H MET 107 H MET 107 -17.373 1.469 7.016 824 HA MET 107 HA MET 107 -18.925 -0.912 6.571 825 HB2 MET 107 2HB MET 107 -18.016 0.921 4.816 826 HB3 MET 107 1HB MET 107 -16.712 -0.253 4.707 827 HG2 MET 107 2HG MET 107 -18.337 -1.993 4.178 828 HG3 MET 107 1HG MET 107 -19.628 -0.794 4.225 829 HE1 MET 107 1HE MET 107 -18.766 1.500 1.201 830 HE2 MET 107 2HE MET 107 -18.456 1.726 2.921 831 HE3 MET 107 3HE MET 107 -20.004 1.072 2.383 832 H LYS 108 H LYS 108 -15.482 -0.093 6.879 833 HA LYS 108 HA LYS 108 -14.290 -2.538 6.540 834 HB2 LYS 108 2HB LYS 108 -13.066 -0.421 6.866 835 HB3 LYS 108 1HB LYS 108 -13.541 -0.407 8.556 836 HG2 LYS 108 2HG LYS 108 -12.172 -2.854 7.710 837 HG3 LYS 108 1HG LYS 108 -11.199 -1.389 7.596 838 HD2 LYS 108 2HD LYS 108 -12.600 -1.349 10.072 839 HD3 LYS 108 1HD LYS 108 -11.818 -2.922 9.899 840 HE2 LYS 108 2HE LYS 108 -9.718 -1.637 9.269 841 HE3 LYS 108 1HE LYS 108 -10.553 -0.191 9.836 842 HZ1 LYS 108 1HZ LYS 108 -10.837 -1.306 12.002 843 HZ2 LYS 108 2HZ LYS 108 -9.210 -1.065 11.595 844 HZ3 LYS 108 3HZ LYS 108 -9.900 -2.610 11.444 845 H LYS 109 H LYS 109 -15.802 -1.242 9.440 846 HA LYS 109 HA LYS 109 -15.147 -3.332 11.203 847 HB2 LYS 109 2HB LYS 109 -17.677 -1.674 11.247 848 HB3 LYS 109 1HB LYS 109 -16.950 -2.523 12.605 849 HG2 LYS 109 2HG LYS 109 -15.639 -0.251 11.133 850 HG3 LYS 109 1HG LYS 109 -16.576 -0.075 12.618 851 HD2 LYS 109 2HD LYS 109 -14.446 -2.110 12.678 852 HD3 LYS 109 1HD LYS 109 -13.907 -0.434 12.557 853 HE2 LYS 109 2HE LYS 109 -15.326 0.117 14.513 854 HE3 LYS 109 1HE LYS 109 -15.738 -1.589 14.658 855 HZ1 LYS 109 1HZ LYS 109 -13.100 -0.307 15.072 856 HZ2 LYS 109 2HZ LYS 109 -13.255 -1.977 14.836 857 HZ3 LYS 109 3HZ LYS 109 -14.003 -1.237 16.168 858 H ARG 110 H ARG 110 -18.190 -2.801 9.444 859 HA ARG 110 HA ARG 110 -19.344 -5.305 10.034 860 HB2 ARG 110 2HB ARG 110 -20.487 -3.229 9.132 861 HB3 ARG 110 1HB ARG 110 -19.794 -3.611 7.569 862 HG2 ARG 110 2HG ARG 110 -21.040 -5.671 7.473 863 HG3 ARG 110 1HG ARG 110 -21.684 -5.389 9.094 864 HD2 ARG 110 2HD ARG 110 -22.931 -3.510 8.367 865 HD3 ARG 110 1HD ARG 110 -22.078 -3.454 6.825 866 HE ARG 110 HE ARG 110 -23.258 -5.887 6.762 867 HH11 ARG 110 1HH1 ARG 110 -24.511 -2.700 7.502 868 HH12 ARG 110 2HH1 ARG 110 -26.077 -3.013 6.813 869 HH21 ARG 110 1HH2 ARG 110 -25.326 -6.303 5.853 870 HH22 ARG 110 2HH2 ARG 110 -26.556 -5.075 5.918 871 H LEU 111 H LEU 111 -17.245 -4.144 7.555 872 HA LEU 111 HA LEU 111 -17.341 -6.284 5.757 873 HB2 LEU 111 2HB LEU 111 -15.619 -3.958 6.288 874 HB3 LEU 111 1HB LEU 111 -14.900 -5.229 5.344 875 HG LEU 111 HG LEU 111 -17.537 -4.076 4.696 876 HD11 LEU 111 1HD1 LEU 111 -14.860 -3.181 3.663 877 HD12 LEU 111 2HD1 LEU 111 -15.932 -2.244 4.705 878 HD13 LEU 111 3HD1 LEU 111 -16.421 -2.629 3.054 879 HD21 LEU 111 1HD2 LEU 111 -17.109 -4.860 2.465 880 HD22 LEU 111 2HD2 LEU 111 -17.092 -6.167 3.650 881 HD23 LEU 111 3HD2 LEU 111 -15.574 -5.534 3.010 882 H ALA 112 H ALA 112 -15.113 -5.621 8.464 883 HA ALA 112 HA ALA 112 -13.605 -7.975 7.853 884 HB1 ALA 112 1HB ALA 112 -12.378 -7.521 9.888 885 HB2 ALA 112 2HB ALA 112 -13.607 -6.366 10.408 886 HB3 ALA 112 3HB ALA 112 -12.610 -6.018 8.993 887 H ASN 113 H ASN 113 -16.576 -7.446 9.310 888 HA ASN 113 HA ASN 113 -16.378 -9.930 10.825 889 HB2 ASN 113 2HB ASN 113 -18.101 -7.558 11.009 890 HB3 ASN 113 1HB ASN 113 -18.941 -9.089 11.225 891 HD21 ASN 113 1HD2 ASN 113 -18.777 -7.253 13.265 892 HD22 ASN 113 2HD2 ASN 113 -17.773 -7.898 14.522 893 H GLU 114 H GLU 114 -17.747 -8.560 7.951 894 HA GLU 114 HA GLU 114 -19.455 -10.868 7.501 895 HB2 GLU 114 2HB GLU 114 -19.196 -8.177 6.227 896 HB3 GLU 114 1HB GLU 114 -19.955 -9.487 5.334 897 HG2 GLU 114 2HG GLU 114 -21.437 -9.796 7.390 898 HG3 GLU 114 1HG GLU 114 -20.838 -8.219 7.899 899 H ALA 115 H ALA 115 -16.576 -9.282 6.066 900 HA ALA 115 HA ALA 115 -16.462 -11.224 3.925 901 HB1 ALA 115 1HB ALA 115 -15.485 -9.002 3.661 902 HB2 ALA 115 2HB ALA 115 -14.264 -10.256 3.450 903 HB3 ALA 115 3HB ALA 115 -14.339 -9.342 4.956 904 H LYS 116 H LYS 116 -15.962 -11.373 7.138 905 HA LYS 116 HA LYS 116 -13.814 -13.333 7.043 906 HB2 LYS 116 2HB LYS 116 -13.259 -12.577 9.079 907 HB3 LYS 116 1HB LYS 116 -14.334 -11.242 8.715 908 HG2 LYS 116 2HG LYS 116 -15.989 -11.999 10.112 909 HG3 LYS 116 1HG LYS 116 -15.449 -13.680 10.032 910 HD2 LYS 116 2HD LYS 116 -13.350 -12.895 11.249 911 HD3 LYS 116 1HD LYS 116 -14.220 -11.391 11.550 912 HE2 LYS 116 2HE LYS 116 -15.416 -14.039 12.290 913 HE3 LYS 116 1HE LYS 116 -14.261 -13.236 13.354 914 HZ1 LYS 116 1HZ LYS 116 -15.761 -11.245 13.211 915 HZ2 LYS 116 2HZ LYS 116 -16.385 -12.571 14.059 916 HZ3 LYS 116 3HZ LYS 116 -16.911 -12.255 12.480 917 H GLU 117 H GLU 117 -17.151 -13.251 6.900 918 HA GLU 117 HA GLU 117 -17.287 -15.990 7.951 919 HB2 GLU 117 2HB GLU 117 -19.750 -15.510 8.370 920 HB3 GLU 117 1HB GLU 117 -18.592 -14.787 9.472 921 HG2 GLU 117 2HG GLU 117 -18.903 -12.643 8.569 922 HG3 GLU 117 1HG GLU 117 -19.713 -13.274 7.134 923 H ALA 118 H ALA 118 -18.922 -13.761 5.708 924 HA ALA 118 HA ALA 118 -19.974 -15.965 4.167 925 HB1 ALA 118 1HB ALA 118 -21.283 -13.929 4.393 926 HB2 ALA 118 2HB ALA 118 -20.874 -14.205 2.697 927 HB3 ALA 118 3HB ALA 118 -19.995 -12.994 3.630 928 H LYS 119 H LYS 119 -18.364 -17.127 3.232 929 HA LYS 119 HA LYS 119 -16.900 -15.825 1.074 930 HB2 LYS 119 2HB LYS 119 -15.437 -15.703 3.101 931 HB3 LYS 119 1HB LYS 119 -15.471 -17.459 3.175 932 HG2 LYS 119 2HG LYS 119 -14.358 -17.599 1.025 933 HG3 LYS 119 1HG LYS 119 -14.377 -15.839 0.882 934 HD2 LYS 119 2HD LYS 119 -13.009 -17.345 3.109 935 HD3 LYS 119 1HD LYS 119 -12.196 -16.793 1.644 936 HE2 LYS 119 2HE LYS 119 -11.738 -15.001 2.942 937 HE3 LYS 119 1HE LYS 119 -13.331 -14.491 2.390 938 HZ1 LYS 119 1HZ LYS 119 -12.492 -15.469 5.026 939 HZ2 LYS 119 2HZ LYS 119 -14.071 -15.822 4.521 940 HZ3 LYS 119 3HZ LYS 119 -13.554 -14.210 4.627 941 H LYS 120 H LYS 120 -16.572 -17.123 -0.630 942 HA LYS 120 HA LYS 120 -16.684 -19.998 -0.421 943 HB2 LYS 120 2HB LYS 120 -19.050 -19.516 -0.559 944 HB3 LYS 120 1HB LYS 120 -18.799 -18.418 -1.902 945 HG2 LYS 120 2HG LYS 120 -19.748 -20.602 -2.557 946 HG3 LYS 120 1HG LYS 120 -18.224 -20.227 -3.356 947 HD2 LYS 120 2HD LYS 120 -17.116 -21.587 -1.490 948 HD3 LYS 120 1HD LYS 120 -18.742 -22.181 -1.135 949 HE2 LYS 120 2HE LYS 120 -18.923 -23.272 -3.171 950 HE3 LYS 120 1HE LYS 120 -17.670 -22.283 -3.921 951 HZ1 LYS 120 1HZ LYS 120 -17.259 -24.422 -1.891 952 HZ2 LYS 120 2HZ LYS 120 -16.040 -23.388 -2.459 953 HZ3 LYS 120 3HZ LYS 120 -16.806 -24.461 -3.525 Start of MODEL 16 1 H MET 1 1HT MET 1 -12.699 24.261 -0.131 2 HA MET 1 HA MET 1 -13.893 22.478 1.915 3 HB2 MET 1 2HB MET 1 -14.919 23.115 -0.577 4 HB3 MET 1 1HB MET 1 -13.999 21.650 -0.889 5 HG2 MET 1 2HG MET 1 -16.155 21.954 1.189 6 HG3 MET 1 1HG MET 1 -16.344 21.184 -0.383 7 HE1 MET 1 1HE MET 1 -16.474 18.279 2.310 8 HE2 MET 1 2HE MET 1 -17.352 19.037 0.981 9 HE3 MET 1 3HE MET 1 -17.065 19.932 2.476 10 H VAL 2 H VAL 2 -12.647 20.914 2.537 11 HA VAL 2 HA VAL 2 -10.606 19.863 0.781 12 HB VAL 2 HB VAL 2 -9.609 21.817 2.052 13 HG11 VAL 2 1HG1 VAL 2 -10.684 21.500 4.187 14 HG12 VAL 2 2HG1 VAL 2 -8.930 21.467 4.362 15 HG13 VAL 2 3HG1 VAL 2 -9.846 19.962 4.401 16 HG21 VAL 2 1HG2 VAL 2 -8.190 20.169 1.010 17 HG22 VAL 2 2HG2 VAL 2 -8.337 19.109 2.413 18 HG23 VAL 2 3HG2 VAL 2 -7.502 20.656 2.557 19 H ASP 3 H ASP 3 -9.315 18.480 2.991 20 HA ASP 3 HA ASP 3 -9.416 16.550 4.151 21 HB2 ASP 3 2HB ASP 3 -12.247 17.481 4.592 22 HB3 ASP 3 1HB ASP 3 -11.650 15.970 5.268 23 H LEU 4 H LEU 4 -10.422 16.905 1.287 24 HA LEU 4 HA LEU 4 -11.816 14.382 0.890 25 HB2 LEU 4 2HB LEU 4 -11.821 15.159 -1.535 26 HB3 LEU 4 1HB LEU 4 -12.789 16.081 -0.399 27 HG LEU 4 HG LEU 4 -10.444 17.474 -0.352 28 HD11 LEU 4 1HD1 LEU 4 -9.461 16.141 -2.133 29 HD12 LEU 4 2HD1 LEU 4 -9.746 17.796 -2.671 30 HD13 LEU 4 3HD1 LEU 4 -10.833 16.505 -3.179 31 HD21 LEU 4 1HD2 LEU 4 -12.787 17.871 -2.207 32 HD22 LEU 4 2HD2 LEU 4 -11.618 19.107 -1.746 33 HD23 LEU 4 3HD2 LEU 4 -12.684 18.405 -0.529 34 H GLU 5 H GLU 5 -8.741 15.723 0.914 35 HA GLU 5 HA GLU 5 -7.578 13.215 0.163 36 HB2 GLU 5 2HB GLU 5 -6.243 13.932 -1.642 37 HB3 GLU 5 1HB GLU 5 -7.869 14.483 -2.003 38 HG2 GLU 5 2HG GLU 5 -7.325 16.692 -1.736 39 HG3 GLU 5 1HG GLU 5 -5.979 16.340 -0.645 40 H GLN 6 H GLN 6 -7.810 15.292 2.375 41 HA GLN 6 HA GLN 6 -5.033 16.018 2.820 42 HB2 GLN 6 2HB GLN 6 -7.018 17.520 3.378 43 HB3 GLN 6 1HB GLN 6 -7.335 16.439 4.726 44 HG2 GLN 6 2HG GLN 6 -6.058 18.468 5.343 45 HG3 GLN 6 1HG GLN 6 -5.228 16.964 5.728 46 HE21 GLN 6 1HE2 GLN 6 -3.346 16.444 4.671 47 HE22 GLN 6 2HE2 GLN 6 -2.495 17.565 3.664 48 H GLU 7 H GLU 7 -7.338 13.643 3.790 49 HA GLU 7 HA GLU 7 -5.707 12.633 5.980 50 HB2 GLU 7 2HB GLU 7 -7.886 10.898 5.213 51 HB3 GLU 7 1HB GLU 7 -7.643 11.770 6.719 52 HG2 GLU 7 2HG GLU 7 -8.496 13.815 5.376 53 HG3 GLU 7 1HG GLU 7 -9.152 12.601 4.285 54 H PHE 8 H PHE 8 -5.219 12.677 2.944 55 HA PHE 8 HA PHE 8 -4.193 9.955 2.708 56 HB2 PHE 8 2HB PHE 8 -5.057 11.373 0.237 57 HB3 PHE 8 1HB PHE 8 -5.008 9.650 0.554 58 HD1 PHE 8 1HD PHE 8 -7.064 8.711 0.166 59 HD2 PHE 8 2HD PHE 8 -6.889 12.498 2.085 60 HE1 PHE 8 1HE PHE 8 -9.524 8.763 0.324 61 HE2 PHE 8 2HE PHE 8 -9.326 12.544 2.257 62 HZ PHE 8 HZ PHE 8 -10.653 10.691 1.365 63 H ALA 9 H ALA 9 -2.572 11.615 3.712 64 HA ALA 9 HA ALA 9 -0.883 12.528 1.569 65 HB1 ALA 9 1HB ALA 9 -0.659 14.763 2.477 66 HB2 ALA 9 2HB ALA 9 -1.814 14.388 3.754 67 HB3 ALA 9 3HB ALA 9 -2.344 14.439 2.072 68 H LEU 10 H LEU 10 0.738 14.060 3.232 69 HA LEU 10 HA LEU 10 2.656 12.257 4.027 70 HB2 LEU 10 2HB LEU 10 2.092 15.109 4.657 71 HB3 LEU 10 1HB LEU 10 3.444 14.298 5.414 72 HG LEU 10 HG LEU 10 4.072 13.693 2.917 73 HD11 LEU 10 1HD1 LEU 10 2.035 14.623 1.941 74 HD12 LEU 10 2HD1 LEU 10 3.462 15.486 1.365 75 HD13 LEU 10 3HD1 LEU 10 2.432 16.207 2.603 76 HD21 LEU 10 1HD2 LEU 10 4.492 16.405 4.164 77 HD22 LEU 10 2HD2 LEU 10 5.427 15.755 2.818 78 HD23 LEU 10 3HD2 LEU 10 5.493 14.972 4.397 79 H GLY 11 H GLY 11 2.252 10.655 5.487 80 HA2 GLY 11 2HA GLY 11 2.057 9.697 7.564 81 HA3 GLY 11 1HA GLY 11 2.363 11.288 8.250 82 H GLY 12 H GLY 12 -0.265 10.358 6.123 83 HA2 GLY 12 2HA GLY 12 -2.129 11.252 8.206 84 HA3 GLY 12 1HA GLY 12 -2.494 11.107 6.493 85 H ARG 13 H ARG 13 -4.091 10.068 8.571 86 HA ARG 13 HA ARG 13 -3.614 7.185 8.533 87 HB2 ARG 13 2HB ARG 13 -4.965 9.028 10.312 88 HB3 ARG 13 1HB ARG 13 -6.054 7.733 9.833 89 HG2 ARG 13 2HG ARG 13 -4.954 6.199 11.036 90 HG3 ARG 13 1HG ARG 13 -3.370 6.851 10.609 91 HD2 ARG 13 2HD ARG 13 -5.157 8.367 12.469 92 HD3 ARG 13 1HD ARG 13 -4.215 7.004 13.075 93 HE ARG 13 HE ARG 13 -2.227 8.187 12.580 94 HH11 ARG 13 1HH1 ARG 13 -5.141 10.079 12.079 95 HH12 ARG 13 2HH1 ARG 13 -4.290 11.598 12.027 96 HH21 ARG 13 1HH2 ARG 13 -1.130 10.172 12.527 97 HH22 ARG 13 2HH2 ARG 13 -2.013 11.652 12.301 98 H CYS 14 H CYS 14 -4.337 6.175 6.772 99 HA CYS 14 HA CYS 14 -6.946 7.009 5.702 100 HB2 CYS 14 2HB CYS 14 -6.155 6.560 3.470 101 HB3 CYS 14 1HB CYS 14 -5.019 7.664 4.245 102 HG CYS 14 HG CYS 14 -3.937 4.689 4.897 103 H LEU 15 H LEU 15 -8.001 5.323 4.443 104 HA LEU 15 HA LEU 15 -7.513 2.650 5.573 105 HB2 LEU 15 2HB LEU 15 -9.983 4.076 4.648 106 HB3 LEU 15 1HB LEU 15 -9.919 2.325 4.583 107 HG LEU 15 HG LEU 15 -9.595 4.005 7.075 108 HD11 LEU 15 1HD1 LEU 15 -11.873 2.281 6.103 109 HD12 LEU 15 2HD1 LEU 15 -11.876 4.037 6.269 110 HD13 LEU 15 3HD1 LEU 15 -11.767 3.018 7.703 111 HD21 LEU 15 1HD2 LEU 15 -8.287 1.962 7.197 112 HD22 LEU 15 2HD2 LEU 15 -9.690 1.012 6.708 113 HD23 LEU 15 3HD2 LEU 15 -9.692 1.855 8.258 114 H ALA 16 H ALA 16 -7.631 0.866 4.021 115 HA ALA 16 HA ALA 16 -7.592 1.685 1.238 116 HB1 ALA 16 1HB ALA 16 -5.265 1.987 1.906 117 HB2 ALA 16 2HB ALA 16 -5.429 0.657 0.760 118 HB3 ALA 16 3HB ALA 16 -5.200 0.318 2.476 119 H PHE 17 H PHE 17 -8.040 0.040 -0.170 120 HA PHE 17 HA PHE 17 -9.335 -2.224 1.116 121 HB2 PHE 17 2HB PHE 17 -9.645 -0.783 -1.436 122 HB3 PHE 17 1HB PHE 17 -9.915 -2.520 -1.518 123 HD1 PHE 17 1HD PHE 17 -11.528 0.480 -1.161 124 HD2 PHE 17 2HD PHE 17 -11.341 -3.366 0.648 125 HE1 PHE 17 1HE PHE 17 -13.809 0.788 -0.278 126 HE2 PHE 17 2HE PHE 17 -13.614 -3.070 1.529 127 HZ PHE 17 HZ PHE 17 -14.857 -0.994 1.057 128 H HIS 18 H HIS 18 -7.941 -3.789 1.559 129 HA HIS 18 HA HIS 18 -6.117 -4.719 -0.545 130 HB2 HIS 18 2HB HIS 18 -5.332 -4.319 1.910 131 HB3 HIS 18 1HB HIS 18 -6.199 -5.811 2.269 132 HD2 HIS 18 2HD HIS 18 -3.067 -4.605 0.272 133 HE1 HIS 18 1HE HIS 18 -2.963 -8.817 0.644 134 HE2 HIS 18 2HE HIS 18 -1.739 -6.777 -0.253 135 H GLY 19 H GLY 19 -7.318 -5.897 -1.867 136 HA2 GLY 19 2HA GLY 19 -8.487 -7.756 -2.587 137 HA3 GLY 19 1HA GLY 19 -8.445 -8.366 -0.932 138 HA PRO 20 HA PRO 20 -12.666 -6.918 -0.996 139 HB2 PRO 20 2HB PRO 20 -13.506 -8.689 0.915 140 HB3 PRO 20 1HB PRO 20 -13.346 -9.069 -0.798 141 HG2 PRO 20 2HG PRO 20 -11.804 -10.098 1.397 142 HG3 PRO 20 1HG PRO 20 -11.668 -10.501 -0.320 143 HD2 PRO 20 2HD PRO 20 -10.063 -8.631 1.307 144 HD3 PRO 20 1HD PRO 20 -9.639 -9.461 -0.207 145 H LEU 21 H LEU 21 -10.428 -6.619 1.602 146 HA LEU 21 HA LEU 21 -12.516 -5.249 3.159 147 HB2 LEU 21 2HB LEU 21 -10.298 -7.003 4.097 148 HB3 LEU 21 1HB LEU 21 -10.967 -5.772 5.156 149 HG LEU 21 HG LEU 21 -12.207 -8.284 4.150 150 HD11 LEU 21 1HD1 LEU 21 -12.346 -6.782 6.755 151 HD12 LEU 21 2HD1 LEU 21 -11.261 -8.127 6.398 152 HD13 LEU 21 3HD1 LEU 21 -13.006 -8.387 6.437 153 HD21 LEU 21 1HD2 LEU 21 -13.746 -6.602 3.333 154 HD22 LEU 21 2HD2 LEU 21 -13.753 -5.811 4.909 155 HD23 LEU 21 3HD2 LEU 21 -14.438 -7.426 4.730 156 H MET 22 H MET 22 -11.800 -3.689 4.677 157 HA MET 22 HA MET 22 -9.843 -1.861 3.526 158 HB2 MET 22 2HB MET 22 -12.419 -1.441 4.321 159 HB3 MET 22 1HB MET 22 -11.559 -1.020 5.795 160 HG2 MET 22 2HG MET 22 -11.056 0.961 4.969 161 HG3 MET 22 1HG MET 22 -10.233 0.219 3.605 162 HE1 MET 22 1HE MET 22 -14.049 -0.281 4.365 163 HE2 MET 22 2HE MET 22 -14.758 1.127 3.569 164 HE3 MET 22 3HE MET 22 -13.739 1.339 4.992 165 H TYR 23 H TYR 23 -7.958 -1.516 4.520 166 HA TYR 23 HA TYR 23 -7.728 -2.265 7.358 167 HB2 TYR 23 2HB TYR 23 -5.687 -2.581 5.148 168 HB3 TYR 23 1HB TYR 23 -5.329 -2.810 6.857 169 HD1 TYR 23 1HD TYR 23 -6.196 -4.756 8.063 170 HD2 TYR 23 2HD TYR 23 -6.938 -4.237 3.905 171 HE1 TYR 23 1HE TYR 23 -6.881 -7.113 7.894 172 HE2 TYR 23 2HE TYR 23 -7.632 -6.588 3.730 173 HH TYR 23 HH TYR 23 -7.191 -8.726 4.989 174 H GLU 24 H GLU 24 -6.506 -0.904 8.684 175 HA GLU 24 HA GLU 24 -6.366 1.838 7.851 176 HB2 GLU 24 2HB GLU 24 -5.137 0.657 10.342 177 HB3 GLU 24 1HB GLU 24 -5.617 2.327 10.074 178 HG2 GLU 24 2HG GLU 24 -7.587 1.888 10.971 179 HG3 GLU 24 1HG GLU 24 -7.905 0.722 9.686 180 H ALA 25 H ALA 25 -4.592 3.010 7.247 181 HA ALA 25 HA ALA 25 -1.968 1.761 7.471 182 HB1 ALA 25 1HB ALA 25 -3.091 2.647 4.825 183 HB2 ALA 25 2HB ALA 25 -2.843 0.976 5.330 184 HB3 ALA 25 3HB ALA 25 -1.459 2.047 5.112 185 H LYS 26 H LYS 26 -0.324 3.145 7.662 186 HA LYS 26 HA LYS 26 -0.964 6.001 7.776 187 HB2 LYS 26 2HB LYS 26 0.117 4.962 9.741 188 HB3 LYS 26 1HB LYS 26 1.461 4.455 8.730 189 HG2 LYS 26 2HG LYS 26 2.115 6.741 8.363 190 HG3 LYS 26 1HG LYS 26 0.690 7.323 9.227 191 HD2 LYS 26 2HD LYS 26 1.483 6.414 11.289 192 HD3 LYS 26 1HD LYS 26 2.799 5.569 10.470 193 HE2 LYS 26 2HE LYS 26 3.897 7.621 9.952 194 HE3 LYS 26 1HE LYS 26 2.504 8.565 10.479 195 HZ1 LYS 26 1HZ LYS 26 3.114 8.412 12.613 196 HZ2 LYS 26 2HZ LYS 26 4.650 8.016 12.006 197 HZ3 LYS 26 3HZ LYS 26 3.590 6.790 12.482 198 H ILE 27 H ILE 27 -0.549 7.149 6.032 199 HA ILE 27 HA ILE 27 1.015 6.119 3.878 200 HB ILE 27 HB ILE 27 0.015 8.947 4.193 201 HG12 ILE 27 2HG1 ILE 27 -1.442 6.796 2.691 202 HG13 ILE 27 1HG1 ILE 27 -1.672 6.966 4.428 203 HG21 ILE 27 1HG2 ILE 27 0.072 8.974 1.769 204 HG22 ILE 27 2HG2 ILE 27 0.640 7.303 1.751 205 HG23 ILE 27 3HG2 ILE 27 1.661 8.575 2.423 206 HD11 ILE 27 1HD1 ILE 27 -3.416 8.127 3.271 207 HD12 ILE 27 2HD1 ILE 27 -2.240 9.042 2.326 208 HD13 ILE 27 3HD1 ILE 27 -2.372 9.305 4.066 209 H LEU 28 H LEU 28 3.027 6.091 3.679 210 HA LEU 28 HA LEU 28 4.685 7.873 5.271 211 HB2 LEU 28 2HB LEU 28 4.916 5.314 5.144 212 HB3 LEU 28 1HB LEU 28 5.627 5.601 3.563 213 HG LEU 28 HG LEU 28 7.117 7.269 4.910 214 HD11 LEU 28 1HD1 LEU 28 7.663 6.399 7.139 215 HD12 LEU 28 2HD1 LEU 28 6.318 5.266 6.998 216 HD13 LEU 28 3HD1 LEU 28 6.010 7.001 7.030 217 HD21 LEU 28 1HD2 LEU 28 7.924 5.376 3.601 218 HD22 LEU 28 2HD2 LEU 28 7.542 4.290 4.939 219 HD23 LEU 28 3HD2 LEU 28 8.796 5.515 5.126 220 H LYS 29 H LYS 29 3.935 7.037 1.938 221 HA LYS 29 HA LYS 29 5.453 9.411 1.112 222 HB2 LYS 29 2HB LYS 29 5.443 6.841 -0.486 223 HB3 LYS 29 1HB LYS 29 6.372 8.295 -0.813 224 HG2 LYS 29 2HG LYS 29 7.856 7.880 0.940 225 HG3 LYS 29 1HG LYS 29 6.773 6.709 1.695 226 HD2 LYS 29 2HD LYS 29 7.291 5.049 0.180 227 HD3 LYS 29 1HD LYS 29 7.792 6.196 -1.065 228 HE2 LYS 29 2HE LYS 29 9.832 6.635 0.053 229 HE3 LYS 29 1HE LYS 29 9.307 5.770 1.496 230 HZ1 LYS 29 1HZ LYS 29 10.198 4.690 -1.103 231 HZ2 LYS 29 2HZ LYS 29 9.159 3.777 -0.123 232 HZ3 LYS 29 3HZ LYS 29 10.671 4.249 0.461 233 H ILE 30 H ILE 30 4.465 10.612 -0.426 234 HA ILE 30 HA ILE 30 1.867 9.654 -1.428 235 HB ILE 30 HB ILE 30 2.954 12.427 -0.941 236 HG12 ILE 30 2HG1 ILE 30 0.790 12.677 0.267 237 HG13 ILE 30 1HG1 ILE 30 0.439 10.990 -0.080 238 HG21 ILE 30 1HG2 ILE 30 1.959 12.418 -3.177 239 HG22 ILE 30 2HG2 ILE 30 1.001 13.365 -2.038 240 HG23 ILE 30 3HG2 ILE 30 0.473 11.748 -2.502 241 HD11 ILE 30 1HD1 ILE 30 2.357 10.310 1.230 242 HD12 ILE 30 2HD1 ILE 30 1.251 11.301 2.182 243 HD13 ILE 30 3HD1 ILE 30 2.746 11.999 1.556 244 H TRP 31 H TRP 31 1.445 9.703 -3.673 245 HA TRP 31 HA TRP 31 3.893 10.129 -5.264 246 HB2 TRP 31 2HB TRP 31 3.348 7.812 -5.205 247 HB3 TRP 31 1HB TRP 31 1.664 8.141 -5.603 248 HD1 TRP 31 HD TRP 31 1.076 8.485 -8.133 249 HE1 TRP 31 1HE TRP 31 2.415 8.232 -10.327 250 HE3 TRP 31 3HE TRP 31 5.687 8.204 -6.099 251 HZ2 TRP 31 2HZ TRP 31 5.129 7.954 -11.048 252 HZ3 TRP 31 3HZ TRP 31 7.632 7.941 -7.599 253 HH2 TRP 31 HH TRP 31 7.333 7.815 -10.018 254 H ASP 32 H ASP 32 3.810 11.541 -6.880 255 HA ASP 32 HA ASP 32 1.183 12.486 -7.810 256 HB2 ASP 32 2HB ASP 32 2.307 14.338 -6.833 257 HB3 ASP 32 1HB ASP 32 3.835 13.909 -7.600 258 HA PRO 33 HA PRO 33 2.568 10.451 -11.573 259 HB2 PRO 33 2HB PRO 33 0.227 10.614 -12.885 260 HB3 PRO 33 1HB PRO 33 0.485 9.466 -11.567 261 HG2 PRO 33 2HG PRO 33 -0.915 12.109 -11.532 262 HG3 PRO 33 1HG PRO 33 -1.385 10.584 -10.759 263 HD2 PRO 33 2HD PRO 33 -0.155 12.642 -9.435 264 HD3 PRO 33 1HD PRO 33 -0.019 10.940 -8.954 265 H SER 34 H SER 34 2.137 13.641 -11.048 266 HA SER 34 HA SER 34 2.001 14.447 -13.855 267 HB2 SER 34 2HB SER 34 2.380 16.451 -11.676 268 HB3 SER 34 1HB SER 34 1.398 16.549 -13.137 269 HG SER 34 HG SER 34 0.803 15.469 -10.638 270 H SER 35 H SER 35 4.274 13.839 -11.424 271 HA SER 35 HA SER 35 6.385 15.097 -13.043 272 HB2 SER 35 2HB SER 35 6.727 14.652 -10.095 273 HB3 SER 35 1HB SER 35 7.503 15.843 -11.139 274 HG SER 35 HG SER 35 4.765 15.848 -10.316 275 H LYS 36 H LYS 36 5.332 12.453 -11.043 276 HA LYS 36 HA LYS 36 5.722 10.257 -11.150 277 HB2 LYS 36 2HB LYS 36 6.332 10.610 -13.606 278 HB3 LYS 36 1HB LYS 36 8.011 10.591 -13.058 279 HG2 LYS 36 2HG LYS 36 7.715 8.410 -12.099 280 HG3 LYS 36 1HG LYS 36 6.000 8.424 -12.510 281 HD2 LYS 36 2HD LYS 36 8.055 8.747 -14.675 282 HD3 LYS 36 1HD LYS 36 7.711 7.139 -14.034 283 HE2 LYS 36 2HE LYS 36 5.205 8.264 -14.490 284 HE3 LYS 36 1HE LYS 36 6.171 8.769 -15.872 285 HZ1 LYS 36 1HZ LYS 36 6.810 6.140 -15.588 286 HZ2 LYS 36 2HZ LYS 36 5.693 6.768 -16.700 287 HZ3 LYS 36 3HZ LYS 36 5.156 6.161 -15.219 288 H MET 37 H MET 37 6.754 12.120 -9.488 289 HA MET 37 HA MET 37 9.006 10.773 -8.315 290 HB2 MET 37 2HB MET 37 8.188 13.671 -7.920 291 HB3 MET 37 1HB MET 37 9.661 12.899 -7.351 292 HG2 MET 37 2HG MET 37 9.844 12.510 -10.042 293 HG3 MET 37 1HG MET 37 9.036 14.075 -9.961 294 HE1 MET 37 1HE MET 37 11.721 16.509 -9.265 295 HE2 MET 37 2HE MET 37 10.070 16.209 -8.726 296 HE3 MET 37 3HE MET 37 10.494 16.007 -10.426 297 H TYR 38 H TYR 38 8.623 11.611 -5.763 298 HA TYR 38 HA TYR 38 5.823 11.362 -5.148 299 HB2 TYR 38 2HB TYR 38 6.190 9.370 -3.698 300 HB3 TYR 38 1HB TYR 38 6.419 9.023 -5.409 301 HD1 TYR 38 1HD TYR 38 8.045 9.372 -2.175 302 HD2 TYR 38 2HD TYR 38 8.616 8.462 -6.283 303 HE1 TYR 38 1HE TYR 38 10.264 8.464 -1.649 304 HE2 TYR 38 2HE TYR 38 10.843 7.550 -5.779 305 HH TYR 38 HH TYR 38 11.964 6.504 -3.487 306 H THR 39 H THR 39 5.572 11.685 -2.741 307 HA THR 39 HA THR 39 7.942 13.073 -1.683 308 HB THR 39 HB THR 39 6.485 14.544 -0.482 309 HG1 THR 39 1HG THR 39 4.174 14.525 -1.032 310 HG21 THR 39 1HG2 THR 39 5.812 14.430 -3.400 311 HG22 THR 39 2HG2 THR 39 7.219 15.211 -2.678 312 HG23 THR 39 3HG2 THR 39 5.601 15.835 -2.358 313 H SER 40 H SER 40 8.842 11.860 -0.282 314 HA SER 40 HA SER 40 7.334 9.921 1.270 315 HB2 SER 40 2HB SER 40 9.467 9.324 0.065 316 HB3 SER 40 1HB SER 40 10.327 10.393 1.170 317 HG SER 40 HG SER 40 9.696 9.060 2.885 318 H ILE 41 H ILE 41 7.928 9.693 3.598 319 HA ILE 41 HA ILE 41 8.646 12.278 4.781 320 HB ILE 41 HB ILE 41 7.012 12.044 6.502 321 HG12 ILE 41 2HG1 ILE 41 5.954 9.490 5.342 322 HG13 ILE 41 1HG1 ILE 41 7.257 9.467 6.526 323 HG21 ILE 41 1HG2 ILE 41 4.897 12.065 5.289 324 HG22 ILE 41 2HG2 ILE 41 5.718 11.393 3.880 325 HG23 ILE 41 3HG2 ILE 41 6.149 12.998 4.470 326 HD11 ILE 41 1HD1 ILE 41 4.564 10.734 6.968 327 HD12 ILE 41 2HD1 ILE 41 5.856 10.550 8.156 328 HD13 ILE 41 3HD1 ILE 41 5.032 9.125 7.519 329 HA PRO 42 HA PRO 42 11.663 10.155 7.170 330 HB2 PRO 42 2HB PRO 42 11.111 11.276 9.654 331 HB3 PRO 42 1HB PRO 42 12.166 11.981 8.427 332 HG2 PRO 42 2HG PRO 42 9.309 12.593 9.055 333 HG3 PRO 42 1HG PRO 42 10.621 13.692 8.588 334 HD2 PRO 42 2HD PRO 42 8.750 12.958 6.826 335 HD3 PRO 42 1HD PRO 42 10.451 13.140 6.330 336 H ASN 43 H ASN 43 11.780 8.287 8.350 337 HA ASN 43 HA ASN 43 9.351 6.926 8.970 338 HB2 ASN 43 2HB ASN 43 11.518 5.878 8.141 339 HB3 ASN 43 1HB ASN 43 12.125 6.069 9.782 340 HD21 ASN 43 1HD2 ASN 43 9.968 4.355 7.704 341 HD22 ASN 43 2HD2 ASN 43 9.527 3.120 8.829 342 H ASP 44 H ASP 44 8.538 8.550 10.463 343 HA ASP 44 HA ASP 44 7.963 9.274 12.531 344 HB2 ASP 44 2HB ASP 44 8.974 6.523 13.042 345 HB3 ASP 44 1HB ASP 44 8.695 7.569 14.432 346 H LYS 45 H LYS 45 10.500 10.096 11.445 347 HA LYS 45 HA LYS 45 12.084 10.490 13.886 348 HB2 LYS 45 2HB LYS 45 12.827 10.742 10.967 349 HB3 LYS 45 1HB LYS 45 13.881 11.233 12.283 350 HG2 LYS 45 2HG LYS 45 14.244 9.063 12.981 351 HG3 LYS 45 1HG LYS 45 12.796 8.458 12.182 352 HD2 LYS 45 2HD LYS 45 13.963 9.104 9.996 353 HD3 LYS 45 1HD LYS 45 15.430 9.215 10.969 354 HE2 LYS 45 2HE LYS 45 14.948 6.870 11.754 355 HE3 LYS 45 1HE LYS 45 13.685 6.804 10.526 356 HZ1 LYS 45 1HZ LYS 45 16.605 6.902 10.186 357 HZ2 LYS 45 2HZ LYS 45 15.604 7.520 8.959 358 HZ3 LYS 45 3HZ LYS 45 15.465 5.896 9.430 359 HA PRO 46 HA PRO 46 10.436 14.642 13.778 360 HB2 PRO 46 2HB PRO 46 11.709 15.557 15.976 361 HB3 PRO 46 1HB PRO 46 10.308 14.484 16.069 362 HG2 PRO 46 2HG PRO 46 13.217 13.825 16.327 363 HG3 PRO 46 1HG PRO 46 11.841 13.221 17.271 364 HD2 PRO 46 2HD PRO 46 12.998 11.810 15.244 365 HD3 PRO 46 1HD PRO 46 11.289 11.646 15.692 366 H GLY 47 H GLY 47 13.699 13.690 13.496 367 HA2 GLY 47 2HA GLY 47 14.496 15.567 11.683 368 HA3 GLY 47 1HA GLY 47 14.839 16.302 13.245 369 H GLY 48 H GLY 48 16.486 15.558 14.480 370 HA2 GLY 48 2HA GLY 48 18.481 14.506 14.962 371 HA3 GLY 48 1HA GLY 48 17.864 13.123 14.070 372 H SER 49 H SER 49 18.242 12.999 11.811 373 HA SER 49 HA SER 49 20.809 13.899 11.028 374 HB2 SER 49 2HB SER 49 18.723 12.836 9.135 375 HB3 SER 49 1HB SER 49 20.473 12.615 9.083 376 HG SER 49 HG SER 49 19.929 10.762 9.982 377 H SER 50 H SER 50 21.374 15.747 10.117 378 HA SER 50 HA SER 50 19.722 17.934 9.832 379 HB2 SER 50 2HB SER 50 21.874 18.422 8.134 380 HB3 SER 50 1HB SER 50 21.801 18.763 9.866 381 HG SER 50 HG SER 50 23.176 17.215 10.199 382 H GLN 51 H GLN 51 20.679 15.613 7.296 383 HA GLN 51 HA GLN 51 18.686 16.943 5.577 384 HB2 GLN 51 2HB GLN 51 20.115 16.654 3.638 385 HB3 GLN 51 1HB GLN 51 20.948 17.594 4.869 386 HG2 GLN 51 2HG GLN 51 22.231 15.659 5.528 387 HG3 GLN 51 1HG GLN 51 21.347 14.655 4.378 388 HE21 GLN 51 1HE2 GLN 51 23.823 17.021 4.803 389 HE22 GLN 51 2HE2 GLN 51 24.424 16.983 3.171 390 H ALA 52 H ALA 52 19.535 14.091 7.040 391 HA ALA 52 HA ALA 52 18.518 12.412 4.864 392 HB1 ALA 52 1HB ALA 52 20.643 11.761 5.892 393 HB2 ALA 52 2HB ALA 52 19.403 10.526 6.101 394 HB3 ALA 52 3HB ALA 52 19.829 11.582 7.447 395 H THR 53 H THR 53 16.848 14.143 6.782 396 HA THR 53 HA THR 53 14.794 12.165 7.149 397 HB THR 53 HB THR 53 16.132 13.386 9.554 398 HG1 THR 53 1HG THR 53 16.425 11.114 8.457 399 HG21 THR 53 1HG2 THR 53 13.754 13.804 9.806 400 HG22 THR 53 2HG2 THR 53 14.271 12.526 10.906 401 HG23 THR 53 3HG2 THR 53 13.403 12.118 9.427 402 H LYS 54 H LYS 54 15.750 15.526 7.877 403 HA LYS 54 HA LYS 54 12.927 16.238 7.751 404 HB2 LYS 54 2HB LYS 54 13.693 18.482 8.510 405 HB3 LYS 54 1HB LYS 54 14.088 17.172 9.614 406 HG2 LYS 54 2HG LYS 54 16.061 18.279 9.640 407 HG3 LYS 54 1HG LYS 54 16.364 17.216 8.264 408 HD2 LYS 54 2HD LYS 54 17.038 19.478 7.714 409 HD3 LYS 54 1HD LYS 54 15.632 19.026 6.748 410 HE2 LYS 54 2HE LYS 54 14.382 20.134 8.842 411 HE3 LYS 54 1HE LYS 54 15.892 21.040 8.900 412 HZ1 LYS 54 1HZ LYS 54 13.712 21.386 7.162 413 HZ2 LYS 54 2HZ LYS 54 15.069 20.958 6.237 414 HZ3 LYS 54 3HZ LYS 54 15.136 22.303 7.268 415 H GLU 55 H GLU 55 14.767 15.594 5.330 416 HA GLU 55 HA GLU 55 13.858 17.922 3.792 417 HB2 GLU 55 2HB GLU 55 16.596 16.671 3.675 418 HB3 GLU 55 1HB GLU 55 15.955 17.639 2.356 419 HG2 GLU 55 2HG GLU 55 16.378 18.570 5.186 420 HG3 GLU 55 1HG GLU 55 17.405 18.951 3.802 421 H ILE 56 H ILE 56 12.160 16.901 2.878 422 HA ILE 56 HA ILE 56 12.858 14.762 0.985 423 HB ILE 56 HB ILE 56 10.256 14.847 2.503 424 HG12 ILE 56 2HG1 ILE 56 11.292 12.475 3.172 425 HG13 ILE 56 1HG1 ILE 56 12.808 13.323 2.888 426 HG21 ILE 56 1HG2 ILE 56 10.079 14.060 0.215 427 HG22 ILE 56 2HG2 ILE 56 9.834 12.743 1.359 428 HG23 ILE 56 3HG2 ILE 56 11.370 12.892 0.506 429 HD11 ILE 56 1HD1 ILE 56 12.197 14.990 4.556 430 HD12 ILE 56 2HD1 ILE 56 12.199 13.363 5.235 431 HD13 ILE 56 3HD1 ILE 56 10.672 14.148 4.839 432 H LYS 57 H LYS 57 13.014 16.115 -0.696 433 HA LYS 57 HA LYS 57 10.690 17.722 -1.428 434 HB2 LYS 57 2HB LYS 57 13.551 17.606 -2.284 435 HB3 LYS 57 1HB LYS 57 12.374 18.091 -3.497 436 HG2 LYS 57 2HG LYS 57 12.702 20.146 -2.690 437 HG3 LYS 57 1HG LYS 57 11.629 19.628 -1.392 438 HD2 LYS 57 2HD LYS 57 13.542 19.007 -0.027 439 HD3 LYS 57 1HD LYS 57 14.642 19.451 -1.337 440 HE2 LYS 57 2HE LYS 57 13.766 21.768 -1.226 441 HE3 LYS 57 1HE LYS 57 12.770 21.295 0.150 442 HZ1 LYS 57 1HZ LYS 57 14.762 22.372 0.909 443 HZ2 LYS 57 2HZ LYS 57 15.742 21.306 0.040 444 HZ3 LYS 57 3HZ LYS 57 14.830 20.734 1.355 445 HA PRO 58 HA PRO 58 8.957 14.728 -4.194 446 HB2 PRO 58 2HB PRO 58 9.015 16.025 -6.665 447 HB3 PRO 58 1HB PRO 58 7.725 16.148 -5.466 448 HG2 PRO 58 2HG PRO 58 10.009 18.003 -5.981 449 HG3 PRO 58 1HG PRO 58 8.332 18.378 -5.550 450 HD2 PRO 58 2HD PRO 58 10.285 18.526 -3.731 451 HD3 PRO 58 1HD PRO 58 8.678 17.906 -3.291 452 H GLN 59 H GLN 59 10.272 13.036 -4.421 453 HA GLN 59 HA GLN 59 12.552 13.287 -6.269 454 HB2 GLN 59 2HB GLN 59 12.218 11.635 -3.779 455 HB3 GLN 59 1HB GLN 59 13.483 11.309 -4.958 456 HG2 GLN 59 2HG GLN 59 14.603 13.266 -4.495 457 HG3 GLN 59 1HG GLN 59 13.167 14.049 -3.836 458 HE21 GLN 59 1HE2 GLN 59 12.501 13.559 -1.734 459 HE22 GLN 59 2HE2 GLN 59 13.581 12.838 -0.586 460 H LYS 60 H LYS 60 12.818 11.836 -7.826 461 HA LYS 60 HA LYS 60 10.620 10.444 -8.856 462 HB2 LYS 60 2HB LYS 60 12.720 11.525 -10.013 463 HB3 LYS 60 1HB LYS 60 13.441 9.945 -9.742 464 HG2 LYS 60 2HG LYS 60 12.545 9.337 -11.677 465 HG3 LYS 60 1HG LYS 60 10.978 9.373 -10.865 466 HD2 LYS 60 2HD LYS 60 10.674 11.692 -11.508 467 HD3 LYS 60 1HD LYS 60 12.261 11.705 -12.276 468 HE2 LYS 60 2HE LYS 60 9.946 9.951 -13.068 469 HE3 LYS 60 1HE LYS 60 10.427 11.431 -13.892 470 HZ1 LYS 60 1HZ LYS 60 12.134 9.014 -13.596 471 HZ2 LYS 60 2HZ LYS 60 12.531 10.424 -14.450 472 HZ3 LYS 60 3HZ LYS 60 11.265 9.431 -14.993 473 H LEU 61 H LEU 61 10.288 8.275 -9.051 474 HA LEU 61 HA LEU 61 10.765 6.589 -6.974 475 HB2 LEU 61 2HB LEU 61 10.206 6.113 -9.856 476 HB3 LEU 61 1HB LEU 61 10.507 4.741 -8.796 477 HG LEU 61 HG LEU 61 8.333 6.817 -8.513 478 HD11 LEU 61 1HD1 LEU 61 7.925 5.101 -10.208 479 HD12 LEU 61 2HD1 LEU 61 6.847 4.912 -8.826 480 HD13 LEU 61 3HD1 LEU 61 8.235 3.840 -9.016 481 HD21 LEU 61 1HD2 LEU 61 8.993 4.502 -6.700 482 HD22 LEU 61 2HD2 LEU 61 7.645 5.628 -6.530 483 HD23 LEU 61 3HD2 LEU 61 9.304 6.201 -6.347 484 H GLY 62 H GLY 62 12.519 5.926 -6.064 485 HA2 GLY 62 2HA GLY 62 15.031 5.814 -7.425 486 HA3 GLY 62 1HA GLY 62 14.736 5.442 -5.741 487 H GLU 63 H GLU 63 15.164 4.232 -8.893 488 HA GLU 63 HA GLU 63 15.685 2.232 -9.757 489 HB2 GLU 63 2HB GLU 63 16.411 1.817 -6.893 490 HB3 GLU 63 1HB GLU 63 16.628 0.535 -8.080 491 HG2 GLU 63 2HG GLU 63 17.889 2.352 -9.430 492 HG3 GLU 63 1HG GLU 63 17.996 3.178 -7.875 493 H ASP 64 H ASP 64 14.515 0.756 -6.747 494 HA ASP 64 HA ASP 64 12.921 -1.025 -8.462 495 HB2 ASP 64 2HB ASP 64 13.149 -2.734 -6.805 496 HB3 ASP 64 1HB ASP 64 14.747 -2.058 -7.099 497 H GLU 65 H GLU 65 12.427 1.603 -6.912 498 HA GLU 65 HA GLU 65 10.136 0.952 -5.297 499 HB2 GLU 65 2HB GLU 65 11.728 3.290 -6.094 500 HB3 GLU 65 1HB GLU 65 10.055 3.620 -5.612 501 HG2 GLU 65 2HG GLU 65 10.514 2.397 -3.494 502 HG3 GLU 65 1HG GLU 65 12.201 2.262 -3.995 503 H SER 66 H SER 66 10.600 0.741 -8.399 504 HA SER 66 HA SER 66 8.885 2.212 -9.902 505 HB2 SER 66 2HB SER 66 9.021 -0.735 -10.382 506 HB3 SER 66 1HB SER 66 9.152 0.597 -11.534 507 HG SER 66 HG SER 66 11.210 1.081 -10.473 508 H ILE 67 H ILE 67 6.881 2.679 -9.664 509 HA ILE 67 HA ILE 67 5.009 1.008 -8.237 510 HB ILE 67 HB ILE 67 4.772 3.706 -9.568 511 HG12 ILE 67 2HG1 ILE 67 4.679 2.978 -6.652 512 HG13 ILE 67 1HG1 ILE 67 6.166 3.433 -7.483 513 HG21 ILE 67 1HG2 ILE 67 2.596 2.589 -9.617 514 HG22 ILE 67 2HG2 ILE 67 2.600 3.935 -8.479 515 HG23 ILE 67 3HG2 ILE 67 2.714 2.279 -7.885 516 HD11 ILE 67 1HD1 ILE 67 5.215 5.301 -6.296 517 HD12 ILE 67 2HD1 ILE 67 3.706 5.126 -7.191 518 HD13 ILE 67 3HD1 ILE 67 5.184 5.589 -8.036 519 HA PRO 68 HA PRO 68 3.277 -1.121 -11.806 520 HB2 PRO 68 2HB PRO 68 0.712 -0.442 -10.428 521 HB3 PRO 68 1HB PRO 68 1.236 -1.983 -11.118 522 HG2 PRO 68 2HG PRO 68 1.307 -1.595 -8.486 523 HG3 PRO 68 1HG PRO 68 2.611 -2.473 -9.305 524 HD2 PRO 68 2HD PRO 68 2.590 0.291 -8.202 525 HD3 PRO 68 1HD PRO 68 3.929 -0.868 -8.325 526 H GLU 69 H GLU 69 3.047 -0.194 -13.728 527 HA GLU 69 HA GLU 69 2.559 2.544 -14.069 528 HB2 GLU 69 2HB GLU 69 2.658 0.273 -16.034 529 HB3 GLU 69 1HB GLU 69 2.453 1.950 -16.521 530 HG2 GLU 69 2HG GLU 69 4.742 1.093 -14.786 531 HG3 GLU 69 1HG GLU 69 4.812 0.963 -16.544 532 H GLU 70 H GLU 70 0.278 0.225 -13.399 533 HA GLU 70 HA GLU 70 -1.806 1.541 -14.963 534 HB2 GLU 70 2HB GLU 70 -3.280 -0.259 -14.215 535 HB3 GLU 70 1HB GLU 70 -1.812 -0.899 -14.941 536 HG2 GLU 70 2HG GLU 70 -0.945 -1.559 -12.864 537 HG3 GLU 70 1HG GLU 70 -2.123 -0.594 -11.976 538 H ILE 71 H ILE 71 -0.396 1.742 -11.895 539 HA ILE 71 HA ILE 71 -2.764 3.162 -10.835 540 HB ILE 71 HB ILE 71 -2.066 2.635 -8.574 541 HG12 ILE 71 2HG1 ILE 71 0.154 0.933 -9.726 542 HG13 ILE 71 1HG1 ILE 71 0.407 2.571 -9.132 543 HG21 ILE 71 1HG2 ILE 71 -2.148 0.196 -10.345 544 HG22 ILE 71 2HG2 ILE 71 -3.522 1.035 -9.626 545 HG23 ILE 71 3HG2 ILE 71 -2.376 0.181 -8.595 546 HD11 ILE 71 1HD1 ILE 71 1.030 0.971 -7.445 547 HD12 ILE 71 2HD1 ILE 71 -0.562 0.219 -7.525 548 HD13 ILE 71 3HD1 ILE 71 -0.394 1.867 -6.917 549 H ILE 72 H ILE 72 0.529 3.255 -11.656 550 HA ILE 72 HA ILE 72 1.638 5.308 -10.161 551 HB ILE 72 HB ILE 72 2.691 3.747 -11.795 552 HG12 ILE 72 2HG1 ILE 72 3.629 6.033 -10.774 553 HG13 ILE 72 1HG1 ILE 72 4.586 5.014 -11.844 554 HG21 ILE 72 1HG2 ILE 72 1.278 4.114 -13.711 555 HG22 ILE 72 2HG2 ILE 72 2.954 4.482 -14.116 556 HG23 ILE 72 3HG2 ILE 72 1.813 5.791 -13.809 557 HD11 ILE 72 1HD1 ILE 72 3.962 6.418 -13.739 558 HD12 ILE 72 2HD1 ILE 72 4.753 7.350 -12.468 559 HD13 ILE 72 3HD1 ILE 72 3.003 7.438 -12.667 560 H ASN 73 H ASN 73 -0.648 5.535 -12.806 561 HA ASN 73 HA ASN 73 -0.190 8.414 -12.961 562 HB2 ASN 73 2HB ASN 73 -1.203 6.368 -14.781 563 HB3 ASN 73 1HB ASN 73 -2.150 7.853 -14.786 564 HD21 ASN 73 1HD2 ASN 73 -0.493 6.776 -16.893 565 HD22 ASN 73 2HD2 ASN 73 0.722 7.960 -17.216 566 H GLY 74 H GLY 74 -1.669 6.754 -10.817 567 HA2 GLY 74 2HA GLY 74 -4.105 8.469 -10.910 568 HA3 GLY 74 1HA GLY 74 -4.171 6.802 -10.374 569 H LYS 75 H LYS 75 -1.627 9.098 -9.531 570 HA LYS 75 HA LYS 75 -0.830 9.798 -7.517 571 HB2 LYS 75 2HB LYS 75 -2.876 11.196 -7.689 572 HB3 LYS 75 1HB LYS 75 -3.743 9.992 -6.749 573 HG2 LYS 75 2HG LYS 75 -2.746 10.599 -4.801 574 HG3 LYS 75 1HG LYS 75 -1.242 11.086 -5.586 575 HD2 LYS 75 2HD LYS 75 -2.253 13.128 -6.366 576 HD3 LYS 75 1HD LYS 75 -3.835 12.622 -5.775 577 HE2 LYS 75 2HE LYS 75 -2.888 12.611 -3.463 578 HE3 LYS 75 1HE LYS 75 -1.403 13.298 -4.123 579 HZ1 LYS 75 1HZ LYS 75 -4.081 14.534 -3.914 580 HZ2 LYS 75 2HZ LYS 75 -2.959 15.097 -5.055 581 HZ3 LYS 75 3HZ LYS 75 -2.586 15.145 -3.403 582 H CYS 76 H CYS 76 0.257 8.315 -6.468 583 HA CYS 76 HA CYS 76 -1.259 6.127 -5.211 584 HB2 CYS 76 2HB CYS 76 1.511 6.302 -6.327 585 HB3 CYS 76 1HB CYS 76 1.133 5.094 -5.102 586 HG CYS 76 HG CYS 76 -1.032 4.059 -6.685 587 H PHE 77 H PHE 77 -0.117 5.211 -3.261 588 HA PHE 77 HA PHE 77 1.172 7.235 -1.615 589 HB2 PHE 77 2HB PHE 77 -1.391 5.808 -0.857 590 HB3 PHE 77 1HB PHE 77 -0.393 6.719 0.272 591 HD1 PHE 77 1HD PHE 77 -3.095 6.870 -1.993 592 HD2 PHE 77 2HD PHE 77 0.080 9.170 -0.350 593 HE1 PHE 77 1HE PHE 77 -4.272 8.942 -2.607 594 HE2 PHE 77 2HE PHE 77 -1.091 11.240 -0.952 595 HZ PHE 77 HZ PHE 77 -3.269 11.123 -2.111 596 H PHE 78 H PHE 78 2.926 6.316 -0.835 597 HA PHE 78 HA PHE 78 3.055 3.418 -0.618 598 HB2 PHE 78 2HB PHE 78 5.029 4.799 -1.399 599 HB3 PHE 78 1HB PHE 78 5.171 5.373 0.261 600 HD1 PHE 78 1HD PHE 78 5.518 2.461 -1.946 601 HD2 PHE 78 2HD PHE 78 6.004 3.959 2.008 602 HE1 PHE 78 1HE PHE 78 6.852 0.477 -1.362 603 HE2 PHE 78 2HE PHE 78 7.337 1.978 2.599 604 HZ PHE 78 HZ PHE 78 7.761 0.234 0.908 605 H ILE 79 H ILE 79 1.809 2.758 0.969 606 HA ILE 79 HA ILE 79 1.948 4.131 3.566 607 HB ILE 79 HB ILE 79 -0.103 3.134 4.145 608 HG12 ILE 79 2HG1 ILE 79 0.450 1.373 1.789 609 HG13 ILE 79 1HG1 ILE 79 0.022 0.937 3.442 610 HG21 ILE 79 1HG2 ILE 79 -0.333 5.075 2.716 611 HG22 ILE 79 2HG2 ILE 79 -1.626 3.920 2.399 612 HG23 ILE 79 3HG2 ILE 79 -0.268 4.051 1.280 613 HD11 ILE 79 1HD1 ILE 79 -2.253 1.763 3.038 614 HD12 ILE 79 2HD1 ILE 79 -1.798 0.445 1.956 615 HD13 ILE 79 3HD1 ILE 79 -1.808 2.108 1.366 616 H HIS 80 H HIS 80 1.543 2.773 5.340 617 HA HIS 80 HA HIS 80 2.786 0.151 5.232 618 HB2 HIS 80 2HB HIS 80 4.608 1.386 5.989 619 HB3 HIS 80 1HB HIS 80 3.592 2.577 6.787 620 HD1 HIS 80 1HD HIS 80 5.331 -0.658 7.345 621 HD2 HIS 80 2HD HIS 80 2.778 1.938 9.339 622 HE1 HIS 80 1HE HIS 80 5.432 -1.352 9.775 623 HE2 HIS 80 2HE HIS 80 3.719 0.096 10.935 624 H TYR 81 H TYR 81 1.032 -0.988 5.645 625 HA TYR 81 HA TYR 81 -1.307 -0.226 6.819 626 HB2 TYR 81 2HB TYR 81 0.027 -2.921 6.663 627 HB3 TYR 81 1HB TYR 81 -1.572 -2.719 7.382 628 HD1 TYR 81 1HD TYR 81 0.345 -2.756 4.290 629 HD2 TYR 81 2HD TYR 81 -3.471 -1.974 5.995 630 HE1 TYR 81 1HE TYR 81 -0.662 -2.820 2.049 631 HE2 TYR 81 2HE TYR 81 -4.493 -2.036 3.757 632 HH TYR 81 HH TYR 81 -3.831 -1.741 1.421 633 H GLN 82 H GLN 82 -1.790 0.525 8.676 634 HA GLN 82 HA GLN 82 -0.044 0.704 10.863 635 HB2 GLN 82 2HB GLN 82 -2.427 1.879 10.110 636 HB3 GLN 82 1HB GLN 82 -2.876 0.958 11.538 637 HG2 GLN 82 2HG GLN 82 -1.047 2.071 12.778 638 HG3 GLN 82 1HG GLN 82 -0.733 3.060 11.354 639 HE21 GLN 82 1HE2 GLN 82 -3.868 2.024 12.549 640 HE22 GLN 82 2HE2 GLN 82 -4.451 3.609 12.923 641 H GLY 83 H GLY 83 0.354 -0.556 12.545 642 HA2 GLY 83 2HA GLY 83 0.010 -2.134 14.202 643 HA3 GLY 83 1HA GLY 83 -1.587 -2.440 13.541 644 H TRP 84 H TRP 84 0.283 -2.710 10.913 645 HA TRP 84 HA TRP 84 0.398 -5.599 11.237 646 HB2 TRP 84 2HB TRP 84 0.415 -3.792 8.847 647 HB3 TRP 84 1HB TRP 84 0.885 -5.482 8.709 648 HD1 TRP 84 HD TRP 84 -2.126 -3.253 9.040 649 HE1 TRP 84 1HE TRP 84 -4.271 -4.670 8.958 650 HE3 TRP 84 3HE TRP 84 -0.035 -7.893 9.385 651 HZ2 TRP 84 2HZ TRP 84 -4.980 -7.407 9.019 652 HZ3 TRP 84 3HZ TRP 84 -1.506 -9.861 9.363 653 HH2 TRP 84 HH TRP 84 -3.930 -9.625 9.185 654 H LYS 85 H LYS 85 2.513 -4.205 8.872 655 HA LYS 85 HA LYS 85 4.874 -4.249 10.486 656 HB2 LYS 85 2HB LYS 85 4.286 -6.695 10.283 657 HB3 LYS 85 1HB LYS 85 4.527 -6.549 8.550 658 HG2 LYS 85 2HG LYS 85 6.501 -7.482 9.420 659 HG3 LYS 85 1HG LYS 85 6.873 -5.797 9.050 660 HD2 LYS 85 2HD LYS 85 7.815 -6.457 11.212 661 HD3 LYS 85 1HD LYS 85 6.587 -5.204 11.398 662 HE2 LYS 85 2HE LYS 85 6.434 -6.994 13.097 663 HE3 LYS 85 1HE LYS 85 4.968 -6.813 12.134 664 HZ1 LYS 85 1HZ LYS 85 6.771 -8.698 10.979 665 HZ2 LYS 85 2HZ LYS 85 5.145 -8.887 11.420 666 HZ3 LYS 85 3HZ LYS 85 6.370 -9.125 12.570 667 H SER 86 H SER 86 6.882 -4.162 9.092 668 HA SER 86 HA SER 86 6.580 -2.174 7.105 669 HB2 SER 86 2HB SER 86 9.101 -3.754 7.333 670 HB3 SER 86 1HB SER 86 8.871 -2.009 7.196 671 HG SER 86 HG SER 86 9.431 -2.300 9.278 672 H SER 87 H SER 87 6.386 -5.573 6.967 673 HA SER 87 HA SER 87 7.278 -5.894 4.267 674 HB2 SER 87 2HB SER 87 5.799 -8.096 4.677 675 HB3 SER 87 1HB SER 87 7.426 -7.919 5.336 676 HG SER 87 HG SER 87 5.333 -8.435 6.715 677 H TRP 88 H TRP 88 4.606 -4.524 5.687 678 HA TRP 88 HA TRP 88 2.802 -5.165 3.482 679 HB2 TRP 88 2HB TRP 88 2.395 -3.969 6.217 680 HB3 TRP 88 1HB TRP 88 1.168 -3.811 4.967 681 HD1 TRP 88 HD TRP 88 2.730 -6.372 7.319 682 HE1 TRP 88 1HE TRP 88 1.302 -8.519 7.279 683 HE3 TRP 88 3HE TRP 88 -0.397 -5.198 3.450 684 HZ2 TRP 88 2HZ TRP 88 -0.861 -9.569 5.797 685 HZ3 TRP 88 3HZ TRP 88 -2.113 -6.820 2.781 686 HH2 TRP 88 HH TRP 88 -2.343 -8.962 3.928 687 H ASP 89 H ASP 89 5.192 -3.094 4.026 688 HA ASP 89 HA ASP 89 4.041 -0.578 3.361 689 HB2 ASP 89 2HB ASP 89 6.870 -1.630 3.310 690 HB3 ASP 89 1HB ASP 89 6.469 0.010 2.824 691 H GLU 90 H GLU 90 2.932 -0.493 1.496 692 HA GLU 90 HA GLU 90 4.380 -1.079 -0.975 693 HB2 GLU 90 2HB GLU 90 1.717 -2.253 -0.193 694 HB3 GLU 90 1HB GLU 90 2.195 -2.096 -1.879 695 HG2 GLU 90 2HG GLU 90 4.240 -3.436 -1.320 696 HG3 GLU 90 1HG GLU 90 3.531 -3.728 0.269 697 H TRP 91 H TRP 91 2.579 -0.500 -2.842 698 HA TRP 91 HA TRP 91 1.922 2.307 -2.282 699 HB2 TRP 91 2HB TRP 91 2.461 0.813 -4.839 700 HB3 TRP 91 1HB TRP 91 1.772 2.426 -4.822 701 HD1 TRP 91 HD TRP 91 5.016 0.578 -4.614 702 HE1 TRP 91 1HE TRP 91 6.955 2.263 -4.506 703 HE3 TRP 91 3HE TRP 91 2.340 4.846 -3.737 704 HZ2 TRP 91 2HZ TRP 91 7.294 5.047 -4.123 705 HZ3 TRP 91 3HZ TRP 91 3.561 6.975 -3.509 706 HH2 TRP 91 HH TRP 91 5.989 7.062 -3.687 707 H VAL 92 H VAL 92 -0.124 2.959 -2.221 708 HA VAL 92 HA VAL 92 -2.166 1.248 -3.481 709 HB VAL 92 HB VAL 92 -3.814 2.344 -1.916 710 HG11 VAL 92 1HG1 VAL 92 -1.645 0.642 -0.699 711 HG12 VAL 92 2HG1 VAL 92 -3.079 0.072 -1.549 712 HG13 VAL 92 3HG1 VAL 92 -3.243 0.903 -0.003 713 HG21 VAL 92 1HG2 VAL 92 -1.306 3.225 -0.491 714 HG22 VAL 92 2HG2 VAL 92 -2.943 3.324 0.157 715 HG23 VAL 92 3HG2 VAL 92 -2.497 4.275 -1.259 716 H GLY 93 H GLY 93 -4.184 2.676 -4.034 717 HA2 GLY 93 2HA GLY 93 -3.273 5.281 -5.073 718 HA3 GLY 93 1HA GLY 93 -4.049 4.129 -6.153 719 H TYR 94 H TYR 94 -5.134 6.644 -5.775 720 HA TYR 94 HA TYR 94 -7.036 6.999 -3.793 721 HB2 TYR 94 2HB TYR 94 -6.743 7.929 -6.589 722 HB3 TYR 94 1HB TYR 94 -8.321 8.138 -5.830 723 HD1 TYR 94 1HD TYR 94 -7.060 8.462 -2.995 724 HD2 TYR 94 2HD TYR 94 -6.371 10.306 -6.756 725 HE1 TYR 94 1HE TYR 94 -6.240 10.456 -1.849 726 HE2 TYR 94 2HE TYR 94 -5.542 12.311 -5.628 727 HH TYR 94 HH TYR 94 -5.784 13.431 -3.386 728 H ASP 95 H ASP 95 -7.002 4.643 -6.120 729 HA ASP 95 HA ASP 95 -9.907 4.310 -6.195 730 HB2 ASP 95 2HB ASP 95 -8.453 4.143 -8.292 731 HB3 ASP 95 1HB ASP 95 -7.914 2.589 -7.662 732 H ARG 96 H ARG 96 -7.157 3.128 -4.570 733 HA ARG 96 HA ARG 96 -8.763 0.867 -3.548 734 HB2 ARG 96 2HB ARG 96 -5.756 0.929 -3.913 735 HB3 ARG 96 1HB ARG 96 -6.676 -0.396 -3.213 736 HG2 ARG 96 2HG ARG 96 -6.857 0.583 -6.058 737 HG3 ARG 96 1HG ARG 96 -6.047 -0.883 -5.501 738 HD2 ARG 96 2HD ARG 96 -7.968 -2.032 -5.387 739 HD3 ARG 96 1HD ARG 96 -8.818 -0.693 -4.613 740 HE ARG 96 HE ARG 96 -9.320 0.192 -6.767 741 HH11 ARG 96 1HH1 ARG 96 -7.892 -2.999 -6.821 742 HH12 ARG 96 2HH1 ARG 96 -8.395 -3.343 -8.448 743 HH21 ARG 96 1HH2 ARG 96 -9.974 -0.231 -8.895 744 HH22 ARG 96 2HH2 ARG 96 -9.580 -1.759 -9.630 745 H ILE 97 H ILE 97 -7.859 3.795 -2.866 746 HA ILE 97 HA ILE 97 -7.301 3.222 -0.038 747 HB ILE 97 HB ILE 97 -5.401 4.328 -1.392 748 HG12 ILE 97 2HG1 ILE 97 -6.525 5.531 1.121 749 HG13 ILE 97 1HG1 ILE 97 -5.266 4.309 0.973 750 HG21 ILE 97 1HG2 ILE 97 -5.547 6.733 -1.665 751 HG22 ILE 97 2HG2 ILE 97 -7.216 6.701 -1.097 752 HG23 ILE 97 3HG2 ILE 97 -6.788 5.912 -2.615 753 HD11 ILE 97 1HD1 ILE 97 -3.806 6.018 -0.059 754 HD12 ILE 97 2HD1 ILE 97 -4.284 6.405 1.595 755 HD13 ILE 97 3HD1 ILE 97 -5.066 7.216 0.239 756 H ARG 98 H ARG 98 -8.428 4.372 1.441 757 HA ARG 98 HA ARG 98 -10.509 6.203 0.444 758 HB2 ARG 98 2HB ARG 98 -11.066 4.393 2.770 759 HB3 ARG 98 1HB ARG 98 -12.198 5.188 1.692 760 HG2 ARG 98 2HG ARG 98 -10.485 2.802 1.007 761 HG3 ARG 98 1HG ARG 98 -12.205 2.776 1.386 762 HD2 ARG 98 2HD ARG 98 -11.071 4.366 -0.898 763 HD3 ARG 98 1HD ARG 98 -11.573 2.687 -1.068 764 HE ARG 98 HE ARG 98 -13.831 3.393 -0.518 765 HH11 ARG 98 1HH1 ARG 98 -11.538 5.896 -1.372 766 HH12 ARG 98 2HH1 ARG 98 -12.756 7.027 -1.861 767 HH21 ARG 98 1HH2 ARG 98 -15.444 4.855 -1.185 768 HH22 ARG 98 2HH2 ARG 98 -15.000 6.437 -1.757 769 H ALA 99 H ALA 99 -11.554 7.059 2.808 770 HA ALA 99 HA ALA 99 -9.236 8.298 4.080 771 HB1 ALA 99 1HB ALA 99 -12.126 9.190 4.022 772 HB2 ALA 99 2HB ALA 99 -10.806 9.901 3.092 773 HB3 ALA 99 3HB ALA 99 -10.815 10.022 4.852 774 H TYR 100 H TYR 100 -8.853 7.806 6.085 775 HA TYR 100 HA TYR 100 -10.491 5.868 7.407 776 HB2 TYR 100 2HB TYR 100 -8.119 5.699 7.541 777 HB3 TYR 100 1HB TYR 100 -7.973 7.357 8.071 778 HD1 TYR 100 1HD TYR 100 -8.610 3.916 9.041 779 HD2 TYR 100 2HD TYR 100 -8.481 7.926 10.450 780 HE1 TYR 100 1HE TYR 100 -8.542 3.095 11.354 781 HE2 TYR 100 2HE TYR 100 -8.423 7.112 12.771 782 HH TYR 100 HH TYR 100 -9.076 5.092 14.030 783 H ASN 101 H ASN 101 -12.415 6.798 7.846 784 HA ASN 101 HA ASN 101 -12.425 8.723 10.014 785 HB2 ASN 101 2HB ASN 101 -14.209 10.074 8.941 786 HB3 ASN 101 1HB ASN 101 -12.682 10.171 8.078 787 HD21 ASN 101 1HD2 ASN 101 -12.947 10.208 5.989 788 HD22 ASN 101 2HD2 ASN 101 -14.144 9.341 5.091 789 H GLU 102 H GLU 102 -14.663 8.920 10.871 790 HA GLU 102 HA GLU 102 -15.488 6.408 11.758 791 HB2 GLU 102 2HB GLU 102 -17.300 8.789 11.869 792 HB3 GLU 102 1HB GLU 102 -17.067 7.522 13.063 793 HG2 GLU 102 2HG GLU 102 -14.998 9.595 12.367 794 HG3 GLU 102 1HG GLU 102 -16.137 9.734 13.704 795 H GLU 103 H GLU 103 -16.536 8.193 8.968 796 HA GLU 103 HA GLU 103 -19.005 6.706 8.694 797 HB2 GLU 103 2HB GLU 103 -18.616 9.122 7.980 798 HB3 GLU 103 1HB GLU 103 -17.732 8.461 6.610 799 HG2 GLU 103 2HG GLU 103 -19.636 7.464 5.704 800 HG3 GLU 103 1HG GLU 103 -20.527 7.585 7.218 801 H ASN 104 H ASN 104 -15.759 6.570 7.402 802 HA ASN 104 HA ASN 104 -16.536 4.649 5.355 803 HB2 ASN 104 2HB ASN 104 -14.808 6.506 5.016 804 HB3 ASN 104 1HB ASN 104 -13.727 5.534 6.009 805 HD21 ASN 104 1HD2 ASN 104 -15.690 5.473 3.077 806 HD22 ASN 104 2HD2 ASN 104 -14.708 4.317 2.242 807 H ILE 105 H ILE 105 -14.736 4.779 8.377 808 HA ILE 105 HA ILE 105 -13.807 2.111 8.340 809 HB ILE 105 HB ILE 105 -14.428 3.862 10.688 810 HG12 ILE 105 2HG1 ILE 105 -11.769 3.316 9.381 811 HG13 ILE 105 1HG1 ILE 105 -12.759 4.725 9.010 812 HG21 ILE 105 1HG2 ILE 105 -14.290 1.513 11.315 813 HG22 ILE 105 2HG2 ILE 105 -12.904 2.412 11.935 814 HG23 ILE 105 3HG2 ILE 105 -12.728 1.388 10.509 815 HD11 ILE 105 1HD1 ILE 105 -11.761 4.015 11.734 816 HD12 ILE 105 2HD1 ILE 105 -12.623 5.481 11.261 817 HD13 ILE 105 3HD1 ILE 105 -10.997 5.172 10.644 818 H ALA 106 H ALA 106 -16.822 3.604 9.010 819 HA ALA 106 HA ALA 106 -18.061 1.751 10.672 820 HB1 ALA 106 1HB ALA 106 -19.316 3.391 8.470 821 HB2 ALA 106 2HB ALA 106 -19.020 3.948 10.117 822 HB3 ALA 106 3HB ALA 106 -20.166 2.639 9.822 823 H MET 107 H MET 107 -17.364 1.738 7.246 824 HA MET 107 HA MET 107 -19.010 -0.550 6.696 825 HB2 MET 107 2HB MET 107 -17.938 1.297 5.039 826 HB3 MET 107 1HB MET 107 -16.709 0.045 4.917 827 HG2 MET 107 2HG MET 107 -18.462 -0.069 3.181 828 HG3 MET 107 1HG MET 107 -18.280 -1.539 4.139 829 HE1 MET 107 1HE MET 107 -20.723 -1.067 2.303 830 HE2 MET 107 2HE MET 107 -22.119 -1.437 3.315 831 HE3 MET 107 3HE MET 107 -20.696 -2.473 3.372 832 H LYS 108 H LYS 108 -15.555 0.090 7.256 833 HA LYS 108 HA LYS 108 -14.451 -2.386 6.828 834 HB2 LYS 108 2HB LYS 108 -13.199 -0.302 7.378 835 HB3 LYS 108 1HB LYS 108 -13.709 -0.468 9.048 836 HG2 LYS 108 2HG LYS 108 -12.534 -2.918 8.324 837 HG3 LYS 108 1HG LYS 108 -11.475 -1.642 7.724 838 HD2 LYS 108 2HD LYS 108 -12.250 -0.824 10.284 839 HD3 LYS 108 1HD LYS 108 -11.900 -2.548 10.425 840 HE2 LYS 108 2HE LYS 108 -9.916 -1.220 8.814 841 HE3 LYS 108 1HE LYS 108 -10.067 -0.440 10.391 842 HZ1 LYS 108 1HZ LYS 108 -9.790 -2.651 11.419 843 HZ2 LYS 108 2HZ LYS 108 -8.437 -2.178 10.521 844 HZ3 LYS 108 3HZ LYS 108 -9.520 -3.324 9.884 845 H LYS 109 H LYS 109 -16.075 -1.188 9.713 846 HA LYS 109 HA LYS 109 -15.663 -3.438 11.368 847 HB2 LYS 109 2HB LYS 109 -18.179 -1.762 11.376 848 HB3 LYS 109 1HB LYS 109 -17.468 -2.634 12.723 849 HG2 LYS 109 2HG LYS 109 -16.259 -0.221 11.386 850 HG3 LYS 109 1HG LYS 109 -17.157 -0.214 12.904 851 HD2 LYS 109 2HD LYS 109 -15.443 -1.915 13.724 852 HD3 LYS 109 1HD LYS 109 -14.486 -1.445 12.320 853 HE2 LYS 109 2HE LYS 109 -13.715 -0.121 14.127 854 HE3 LYS 109 1HE LYS 109 -14.692 0.935 13.110 855 HZ1 LYS 109 1HZ LYS 109 -15.312 1.379 15.320 856 HZ2 LYS 109 2HZ LYS 109 -15.424 -0.263 15.720 857 HZ3 LYS 109 3HZ LYS 109 -16.577 0.437 14.690 858 H ARG 110 H ARG 110 -18.402 -2.637 9.276 859 HA ARG 110 HA ARG 110 -19.786 -5.074 9.601 860 HB2 ARG 110 2HB ARG 110 -20.603 -2.857 8.587 861 HB3 ARG 110 1HB ARG 110 -19.786 -3.355 7.121 862 HG2 ARG 110 2HG ARG 110 -21.199 -5.429 7.155 863 HG3 ARG 110 1HG ARG 110 -22.129 -4.677 8.456 864 HD2 ARG 110 2HD ARG 110 -22.274 -2.668 6.799 865 HD3 ARG 110 1HD ARG 110 -21.886 -3.884 5.586 866 HE ARG 110 HE ARG 110 -24.312 -3.800 7.242 867 HH11 ARG 110 1HH1 ARG 110 -22.495 -5.196 4.579 868 HH12 ARG 110 2HH1 ARG 110 -23.890 -5.979 3.891 869 HH21 ARG 110 1HH2 ARG 110 -26.130 -4.809 6.317 870 HH22 ARG 110 2HH2 ARG 110 -25.947 -5.765 4.877 871 H LEU 111 H LEU 111 -17.366 -3.922 7.422 872 HA LEU 111 HA LEU 111 -17.301 -5.987 5.557 873 HB2 LEU 111 2HB LEU 111 -15.613 -3.722 6.381 874 HB3 LEU 111 1HB LEU 111 -14.799 -4.956 5.461 875 HG LEU 111 HG LEU 111 -17.397 -3.980 4.532 876 HD11 LEU 111 1HD1 LEU 111 -16.157 -1.921 5.035 877 HD12 LEU 111 2HD1 LEU 111 -16.332 -2.135 3.292 878 HD13 LEU 111 3HD1 LEU 111 -14.800 -2.515 4.080 879 HD21 LEU 111 1HD2 LEU 111 -14.954 -4.772 3.038 880 HD22 LEU 111 2HD2 LEU 111 -16.521 -4.346 2.341 881 HD23 LEU 111 3HD2 LEU 111 -16.362 -5.783 3.355 882 H ALA 112 H ALA 112 -15.409 -5.533 8.530 883 HA ALA 112 HA ALA 112 -13.871 -7.880 8.029 884 HB1 ALA 112 1HB ALA 112 -12.983 -6.080 9.397 885 HB2 ALA 112 2HB ALA 112 -13.038 -7.585 10.313 886 HB3 ALA 112 3HB ALA 112 -14.253 -6.336 10.590 887 H ASN 113 H ASN 113 -16.994 -7.295 9.184 888 HA ASN 113 HA ASN 113 -17.113 -9.937 10.409 889 HB2 ASN 113 2HB ASN 113 -19.048 -7.639 10.446 890 HB3 ASN 113 1HB ASN 113 -19.433 -9.234 11.084 891 HD21 ASN 113 1HD2 ASN 113 -19.293 -6.682 12.460 892 HD22 ASN 113 2HD2 ASN 113 -18.120 -6.878 13.714 893 H GLU 114 H GLU 114 -18.004 -8.199 7.573 894 HA GLU 114 HA GLU 114 -19.888 -10.104 6.572 895 HB2 GLU 114 2HB GLU 114 -18.539 -7.671 5.497 896 HB3 GLU 114 1HB GLU 114 -19.141 -8.841 4.333 897 HG2 GLU 114 2HG GLU 114 -21.362 -8.672 5.560 898 HG3 GLU 114 1HG GLU 114 -20.684 -7.243 6.342 899 H ALA 115 H ALA 115 -16.499 -9.203 5.861 900 HA ALA 115 HA ALA 115 -16.010 -11.436 4.160 901 HB1 ALA 115 1HB ALA 115 -14.047 -9.953 5.915 902 HB2 ALA 115 2HB ALA 115 -14.517 -9.477 4.283 903 HB3 ALA 115 3HB ALA 115 -13.641 -10.986 4.544 904 H LYS 116 H LYS 116 -16.432 -11.071 7.476 905 HA LYS 116 HA LYS 116 -15.071 -13.357 8.477 906 HB2 LYS 116 2HB LYS 116 -15.527 -11.596 9.991 907 HB3 LYS 116 1HB LYS 116 -17.203 -11.491 9.494 908 HG2 LYS 116 2HG LYS 116 -16.276 -13.961 10.858 909 HG3 LYS 116 1HG LYS 116 -16.512 -12.494 11.802 910 HD2 LYS 116 2HD LYS 116 -18.817 -12.343 10.930 911 HD3 LYS 116 1HD LYS 116 -18.572 -13.874 10.079 912 HE2 LYS 116 2HE LYS 116 -19.716 -14.397 12.080 913 HE3 LYS 116 1HE LYS 116 -18.040 -14.892 12.323 914 HZ1 LYS 116 1HZ LYS 116 -17.802 -12.555 13.357 915 HZ2 LYS 116 2HZ LYS 116 -18.527 -13.790 14.263 916 HZ3 LYS 116 3HZ LYS 116 -19.493 -12.620 13.499 917 H GLU 117 H GLU 117 -18.415 -12.622 7.564 918 HA GLU 117 HA GLU 117 -19.096 -15.469 7.744 919 HB2 GLU 117 2HB GLU 117 -21.464 -14.622 7.397 920 HB3 GLU 117 1HB GLU 117 -20.699 -14.174 8.910 921 HG2 GLU 117 2HG GLU 117 -20.359 -11.942 8.193 922 HG3 GLU 117 1HG GLU 117 -20.782 -12.337 6.528 923 H ALA 118 H ALA 118 -17.789 -15.887 5.875 924 HA ALA 118 HA ALA 118 -18.073 -14.749 3.364 925 HB1 ALA 118 1HB ALA 118 -16.997 -16.729 2.488 926 HB2 ALA 118 2HB ALA 118 -17.352 -17.604 3.978 927 HB3 ALA 118 3HB ALA 118 -16.239 -16.236 4.002 928 H LYS 119 H LYS 119 -19.744 -17.633 4.651 929 HA LYS 119 HA LYS 119 -22.086 -17.081 3.127 930 HB2 LYS 119 2HB LYS 119 -20.543 -17.968 1.340 931 HB3 LYS 119 1HB LYS 119 -20.520 -19.496 2.206 932 HG2 LYS 119 2HG LYS 119 -22.764 -19.934 1.736 933 HG3 LYS 119 1HG LYS 119 -23.093 -18.253 1.305 934 HD2 LYS 119 2HD LYS 119 -23.015 -19.549 -0.714 935 HD3 LYS 119 1HD LYS 119 -21.584 -18.520 -0.652 936 HE2 LYS 119 2HE LYS 119 -20.225 -20.381 0.072 937 HE3 LYS 119 1HE LYS 119 -21.644 -21.424 0.156 938 HZ1 LYS 119 1HZ LYS 119 -20.493 -21.863 -1.874 939 HZ2 LYS 119 2HZ LYS 119 -20.463 -20.224 -2.286 940 HZ3 LYS 119 3HZ LYS 119 -21.937 -21.059 -2.262 941 H LYS 120 H LYS 120 -23.805 -18.165 3.921 942 HA LYS 120 HA LYS 120 -23.255 -20.221 5.949 943 HB2 LYS 120 2HB LYS 120 -24.253 -18.113 6.813 944 HB3 LYS 120 1HB LYS 120 -25.632 -18.358 5.753 945 HG2 LYS 120 2HG LYS 120 -26.230 -20.383 6.936 946 HG3 LYS 120 1HG LYS 120 -24.792 -20.240 7.947 947 HD2 LYS 120 2HD LYS 120 -25.623 -18.382 9.080 948 HD3 LYS 120 1HD LYS 120 -26.819 -18.033 7.829 949 HE2 LYS 120 2HE LYS 120 -27.942 -18.944 9.762 950 HE3 LYS 120 1HE LYS 120 -28.011 -20.117 8.446 951 HZ1 LYS 120 1HZ LYS 120 -26.203 -21.343 9.463 952 HZ2 LYS 120 2HZ LYS 120 -27.475 -21.158 10.572 953 HZ3 LYS 120 3HZ LYS 120 -26.080 -20.199 10.708 Start of MODEL 17 1 H MET 1 1HT MET 1 -17.357 14.891 -3.014 2 HA MET 1 HA MET 1 -15.037 15.752 -3.256 3 HB2 MET 1 2HB MET 1 -16.612 18.304 -3.593 4 HB3 MET 1 1HB MET 1 -14.925 18.274 -3.103 5 HG2 MET 1 2HG MET 1 -16.032 17.205 -5.684 6 HG3 MET 1 1HG MET 1 -15.159 18.722 -5.479 7 HE1 MET 1 1HE MET 1 -11.545 17.630 -4.765 8 HE2 MET 1 2HE MET 1 -12.772 18.109 -3.589 9 HE3 MET 1 3HE MET 1 -12.651 18.957 -5.132 10 H VAL 2 H VAL 2 -14.119 15.933 -1.297 11 HA VAL 2 HA VAL 2 -15.734 16.889 0.947 12 HB VAL 2 HB VAL 2 -14.142 14.323 1.040 13 HG11 VAL 2 1HG1 VAL 2 -15.123 14.015 3.246 14 HG12 VAL 2 2HG1 VAL 2 -15.971 15.554 3.102 15 HG13 VAL 2 3HG1 VAL 2 -14.209 15.522 3.180 16 HG21 VAL 2 1HG2 VAL 2 -16.152 14.013 -0.288 17 HG22 VAL 2 2HG2 VAL 2 -17.133 14.708 1.002 18 HG23 VAL 2 3HG2 VAL 2 -16.294 13.178 1.259 19 H ASP 3 H ASP 3 -12.883 15.278 1.569 20 HA ASP 3 HA ASP 3 -11.064 17.496 1.336 21 HB2 ASP 3 2HB ASP 3 -12.504 17.501 3.637 22 HB3 ASP 3 1HB ASP 3 -11.195 16.423 4.107 23 H LEU 4 H LEU 4 -11.277 14.969 0.203 24 HA LEU 4 HA LEU 4 -9.741 12.993 1.538 25 HB2 LEU 4 2HB LEU 4 -9.641 11.966 -0.783 26 HB3 LEU 4 1HB LEU 4 -11.231 12.183 -0.080 27 HG LEU 4 HG LEU 4 -10.408 14.458 -1.714 28 HD11 LEU 4 1HD1 LEU 4 -10.700 13.300 -3.867 29 HD12 LEU 4 2HD1 LEU 4 -10.688 11.754 -3.017 30 HD13 LEU 4 3HD1 LEU 4 -9.251 12.775 -3.011 31 HD21 LEU 4 1HD2 LEU 4 -12.654 14.138 -2.633 32 HD22 LEU 4 2HD2 LEU 4 -12.675 14.121 -0.871 33 HD23 LEU 4 3HD2 LEU 4 -12.790 12.605 -1.768 34 H GLU 5 H GLU 5 -9.009 15.547 -0.715 35 HA GLU 5 HA GLU 5 -6.327 14.706 -1.263 36 HB2 GLU 5 2HB GLU 5 -6.186 17.129 -2.141 37 HB3 GLU 5 1HB GLU 5 -7.290 16.017 -2.941 38 HG2 GLU 5 2HG GLU 5 -8.342 17.645 -0.702 39 HG3 GLU 5 1HG GLU 5 -8.022 18.453 -2.236 40 H GLN 6 H GLN 6 -6.826 14.867 1.554 41 HA GLN 6 HA GLN 6 -4.649 16.642 2.289 42 HB2 GLN 6 2HB GLN 6 -6.644 18.086 2.480 43 HB3 GLN 6 1HB GLN 6 -7.377 16.912 3.565 44 HG2 GLN 6 2HG GLN 6 -5.399 17.256 5.083 45 HG3 GLN 6 1HG GLN 6 -4.960 18.620 4.057 46 HE21 GLN 6 1HE2 GLN 6 -7.369 17.337 6.249 47 HE22 GLN 6 2HE2 GLN 6 -8.093 18.868 6.636 48 H GLU 7 H GLU 7 -7.122 14.367 3.340 49 HA GLU 7 HA GLU 7 -5.692 13.604 5.722 50 HB2 GLU 7 2HB GLU 7 -7.878 12.008 4.436 51 HB3 GLU 7 1HB GLU 7 -7.474 12.150 6.146 52 HG2 GLU 7 2HG GLU 7 -8.447 14.446 4.497 53 HG3 GLU 7 1HG GLU 7 -9.522 13.374 5.395 54 H PHE 8 H PHE 8 -5.452 12.818 2.478 55 HA PHE 8 HA PHE 8 -4.121 10.271 3.056 56 HB2 PHE 8 2HB PHE 8 -4.843 11.032 0.250 57 HB3 PHE 8 1HB PHE 8 -4.639 9.436 0.936 58 HD1 PHE 8 1HD PHE 8 -6.889 11.252 2.988 59 HD2 PHE 8 2HD PHE 8 -6.595 9.206 -0.720 60 HE1 PHE 8 1HE PHE 8 -9.321 11.030 2.920 61 HE2 PHE 8 2HE PHE 8 -9.040 8.982 -0.794 62 HZ PHE 8 HZ PHE 8 -10.404 9.916 1.028 63 H ALA 9 H ALA 9 -2.461 11.709 3.748 64 HA ALA 9 HA ALA 9 -0.836 12.535 1.547 65 HB1 ALA 9 1HB ALA 9 -0.543 14.802 2.448 66 HB2 ALA 9 2HB ALA 9 -1.740 14.451 3.698 67 HB3 ALA 9 3HB ALA 9 -2.223 14.487 2.001 68 H LEU 10 H LEU 10 0.730 14.129 3.322 69 HA LEU 10 HA LEU 10 2.650 12.203 4.001 70 HB2 LEU 10 2HB LEU 10 2.316 15.109 4.456 71 HB3 LEU 10 1HB LEU 10 3.567 14.264 5.341 72 HG LEU 10 HG LEU 10 4.209 13.388 2.896 73 HD11 LEU 10 1HD1 LEU 10 2.905 16.067 2.389 74 HD12 LEU 10 2HD1 LEU 10 2.335 14.506 1.799 75 HD13 LEU 10 3HD1 LEU 10 3.878 15.149 1.239 76 HD21 LEU 10 1HD2 LEU 10 4.901 16.097 4.037 77 HD22 LEU 10 2HD2 LEU 10 5.791 15.287 2.750 78 HD23 LEU 10 3HD2 LEU 10 5.721 14.572 4.358 79 H GLY 11 H GLY 11 2.233 10.699 5.480 80 HA2 GLY 11 2HA GLY 11 2.129 9.780 7.581 81 HA3 GLY 11 1HA GLY 11 2.293 11.399 8.245 82 H GLY 12 H GLY 12 -0.243 10.733 5.995 83 HA2 GLY 12 2HA GLY 12 -2.214 11.375 8.015 84 HA3 GLY 12 1HA GLY 12 -2.513 11.113 6.301 85 H ARG 13 H ARG 13 -3.897 10.066 8.694 86 HA ARG 13 HA ARG 13 -3.339 7.202 8.493 87 HB2 ARG 13 2HB ARG 13 -3.730 8.373 10.730 88 HB3 ARG 13 1HB ARG 13 -5.408 8.544 10.234 89 HG2 ARG 13 2HG ARG 13 -5.546 6.084 10.012 90 HG3 ARG 13 1HG ARG 13 -3.904 5.974 10.651 91 HD2 ARG 13 2HD ARG 13 -4.746 7.285 12.648 92 HD3 ARG 13 1HD ARG 13 -6.370 6.989 12.034 93 HE ARG 13 HE ARG 13 -5.442 4.512 12.120 94 HH11 ARG 13 1HH1 ARG 13 -5.141 7.079 14.484 95 HH12 ARG 13 2HH1 ARG 13 -5.038 5.996 15.838 96 HH21 ARG 13 1HH2 ARG 13 -5.327 3.081 13.875 97 HH22 ARG 13 2HH2 ARG 13 -5.168 3.713 15.494 98 H CYS 14 H CYS 14 -4.299 6.227 6.846 99 HA CYS 14 HA CYS 14 -7.070 6.965 6.221 100 HB2 CYS 14 2HB CYS 14 -4.742 6.734 4.353 101 HB3 CYS 14 1HB CYS 14 -6.377 6.417 3.783 102 HG CYS 14 HG CYS 14 -5.295 9.363 5.158 103 H LEU 15 H LEU 15 -8.035 5.340 4.699 104 HA LEU 15 HA LEU 15 -7.423 2.641 5.682 105 HB2 LEU 15 2HB LEU 15 -9.927 3.781 4.429 106 HB3 LEU 15 1HB LEU 15 -9.721 2.106 4.901 107 HG LEU 15 HG LEU 15 -9.460 4.318 6.909 108 HD11 LEU 15 1HD1 LEU 15 -11.815 3.947 7.468 109 HD12 LEU 15 2HD1 LEU 15 -11.975 2.903 6.056 110 HD13 LEU 15 3HD1 LEU 15 -11.616 4.619 5.851 111 HD21 LEU 15 1HD2 LEU 15 -10.221 1.412 7.124 112 HD22 LEU 15 2HD2 LEU 15 -10.050 2.546 8.465 113 HD23 LEU 15 3HD2 LEU 15 -8.638 2.092 7.507 114 H ALA 16 H ALA 16 -7.289 0.937 4.099 115 HA ALA 16 HA ALA 16 -7.309 1.797 1.316 116 HB1 ALA 16 1HB ALA 16 -5.085 0.947 0.848 117 HB2 ALA 16 2HB ALA 16 -4.857 0.567 2.555 118 HB3 ALA 16 3HB ALA 16 -5.031 2.244 2.039 119 H PHE 17 H PHE 17 -7.598 0.159 -0.154 120 HA PHE 17 HA PHE 17 -8.802 -2.191 1.009 121 HB2 PHE 17 2HB PHE 17 -8.811 -0.943 -1.703 122 HB3 PHE 17 1HB PHE 17 -9.280 -2.631 -1.528 123 HD1 PHE 17 1HD PHE 17 -10.517 0.571 -1.712 124 HD2 PHE 17 2HD PHE 17 -10.942 -2.982 0.582 125 HE1 PHE 17 1HE PHE 17 -12.785 1.266 -1.063 126 HE2 PHE 17 2HE PHE 17 -13.210 -2.295 1.243 127 HZ PHE 17 HZ PHE 17 -14.135 -0.169 0.415 128 H HIS 18 H HIS 18 -7.514 -3.740 1.573 129 HA HIS 18 HA HIS 18 -5.512 -4.691 -0.363 130 HB2 HIS 18 2HB HIS 18 -4.720 -3.958 2.003 131 HB3 HIS 18 1HB HIS 18 -5.505 -5.434 2.565 132 HD2 HIS 18 2HD HIS 18 -2.493 -4.319 0.364 133 HE1 HIS 18 1HE HIS 18 -2.126 -8.451 1.185 134 HE2 HIS 18 2HE HIS 18 -1.137 -6.484 -0.081 135 H GLY 19 H GLY 19 -6.468 -6.230 -1.492 136 HA2 GLY 19 2HA GLY 19 -7.509 -8.243 -1.921 137 HA3 GLY 19 1HA GLY 19 -7.525 -8.546 -0.182 138 HA PRO 20 HA PRO 20 -11.826 -7.391 -0.716 139 HB2 PRO 20 2HB PRO 20 -12.730 -8.999 1.288 140 HB3 PRO 20 1HB PRO 20 -12.381 -9.567 -0.346 141 HG2 PRO 20 2HG PRO 20 -10.987 -10.183 2.109 142 HG3 PRO 20 1HG PRO 20 -10.702 -10.844 0.490 143 HD2 PRO 20 2HD PRO 20 -9.288 -8.682 1.917 144 HD3 PRO 20 1HD PRO 20 -8.745 -9.673 0.544 145 H LEU 21 H LEU 21 -9.761 -6.580 1.864 146 HA LEU 21 HA LEU 21 -12.024 -5.255 3.198 147 HB2 LEU 21 2HB LEU 21 -9.731 -6.731 4.398 148 HB3 LEU 21 1HB LEU 21 -10.509 -5.440 5.293 149 HG LEU 21 HG LEU 21 -11.566 -8.115 4.536 150 HD11 LEU 21 1HD1 LEU 21 -10.717 -7.730 6.776 151 HD12 LEU 21 2HD1 LEU 21 -12.462 -7.992 6.813 152 HD13 LEU 21 3HD1 LEU 21 -11.808 -6.359 6.968 153 HD21 LEU 21 1HD2 LEU 21 -13.268 -5.680 5.017 154 HD22 LEU 21 2HD2 LEU 21 -13.849 -7.345 4.971 155 HD23 LEU 21 3HD2 LEU 21 -13.168 -6.607 3.521 156 H MET 22 H MET 22 -11.528 -3.508 4.563 157 HA MET 22 HA MET 22 -9.622 -1.647 3.376 158 HB2 MET 22 2HB MET 22 -12.295 -1.368 4.147 159 HB3 MET 22 1HB MET 22 -11.402 -0.588 5.449 160 HG2 MET 22 2HG MET 22 -10.213 0.780 3.768 161 HG3 MET 22 1HG MET 22 -11.210 0.051 2.512 162 HE1 MET 22 1HE MET 22 -13.837 0.497 2.239 163 HE2 MET 22 2HE MET 22 -14.791 1.331 3.464 164 HE3 MET 22 3HE MET 22 -14.024 -0.210 3.846 165 H TYR 23 H TYR 23 -7.713 -1.545 4.385 166 HA TYR 23 HA TYR 23 -7.672 -1.986 7.301 167 HB2 TYR 23 2HB TYR 23 -5.592 -2.512 5.183 168 HB3 TYR 23 1HB TYR 23 -5.182 -2.432 6.894 169 HD1 TYR 23 1HD TYR 23 -6.166 -4.097 8.472 170 HD2 TYR 23 2HD TYR 23 -6.629 -4.443 4.255 171 HE1 TYR 23 1HE TYR 23 -6.785 -6.465 8.740 172 HE2 TYR 23 2HE TYR 23 -7.250 -6.807 4.512 173 HH TYR 23 HH TYR 23 -8.012 -8.204 7.517 174 H GLU 24 H GLU 24 -6.780 -0.468 8.629 175 HA GLU 24 HA GLU 24 -6.345 2.137 7.459 176 HB2 GLU 24 2HB GLU 24 -6.028 2.885 9.819 177 HB3 GLU 24 1HB GLU 24 -7.574 2.103 9.529 178 HG2 GLU 24 2HG GLU 24 -6.966 0.195 10.709 179 HG3 GLU 24 1HG GLU 24 -5.245 0.569 10.614 180 H ALA 25 H ALA 25 -4.432 3.186 7.253 181 HA ALA 25 HA ALA 25 -2.028 1.998 8.371 182 HB1 ALA 25 1HB ALA 25 -0.907 1.823 6.223 183 HB2 ALA 25 2HB ALA 25 -2.385 2.318 5.401 184 HB3 ALA 25 3HB ALA 25 -2.335 0.790 6.278 185 H LYS 26 H LYS 26 -0.149 3.326 8.121 186 HA LYS 26 HA LYS 26 -0.840 6.166 8.014 187 HB2 LYS 26 2HB LYS 26 0.404 5.301 9.986 188 HB3 LYS 26 1HB LYS 26 1.718 4.815 8.923 189 HG2 LYS 26 2HG LYS 26 2.228 7.073 8.391 190 HG3 LYS 26 1HG LYS 26 0.770 7.654 9.193 191 HD2 LYS 26 2HD LYS 26 1.638 6.957 11.348 192 HD3 LYS 26 1HD LYS 26 3.065 6.258 10.576 193 HE2 LYS 26 2HE LYS 26 4.047 8.271 10.273 194 HE3 LYS 26 1HE LYS 26 2.516 9.091 9.969 195 HZ1 LYS 26 1HZ LYS 26 2.836 9.943 11.991 196 HZ2 LYS 26 2HZ LYS 26 3.972 8.768 12.441 197 HZ3 LYS 26 3HZ LYS 26 2.312 8.438 12.575 198 H ILE 27 H ILE 27 -0.467 7.275 6.223 199 HA ILE 27 HA ILE 27 0.912 6.078 4.031 200 HB ILE 27 HB ILE 27 0.075 8.966 4.188 201 HG12 ILE 27 2HG1 ILE 27 -1.624 6.650 3.249 202 HG13 ILE 27 1HG1 ILE 27 -1.753 7.350 4.856 203 HG21 ILE 27 1HG2 ILE 27 -0.185 8.680 1.750 204 HG22 ILE 27 2HG2 ILE 27 0.416 7.027 1.901 205 HG23 ILE 27 3HG2 ILE 27 1.468 8.387 2.291 206 HD11 ILE 27 1HD1 ILE 27 -2.400 9.483 3.882 207 HD12 ILE 27 2HD1 ILE 27 -3.477 8.180 3.368 208 HD13 ILE 27 3HD1 ILE 27 -2.243 8.788 2.267 209 H LEU 28 H LEU 28 2.949 6.016 3.692 210 HA LEU 28 HA LEU 28 4.704 7.821 5.151 211 HB2 LEU 28 2HB LEU 28 4.826 5.112 4.473 212 HB3 LEU 28 1HB LEU 28 6.045 5.892 3.478 213 HG LEU 28 HG LEU 28 6.768 7.015 5.698 214 HD11 LEU 28 1HD1 LEU 28 6.396 5.588 7.665 215 HD12 LEU 28 2HD1 LEU 28 5.288 4.597 6.715 216 HD13 LEU 28 3HD1 LEU 28 4.898 6.285 7.043 217 HD21 LEU 28 1HD2 LEU 28 8.268 5.122 6.172 218 HD22 LEU 28 2HD2 LEU 28 8.157 5.465 4.446 219 HD23 LEU 28 3HD2 LEU 28 7.278 4.096 5.128 220 H LYS 29 H LYS 29 4.246 6.673 1.787 221 HA LYS 29 HA LYS 29 5.646 9.145 0.997 222 HB2 LYS 29 2HB LYS 29 5.399 6.681 -0.746 223 HB3 LYS 29 1HB LYS 29 6.429 8.080 -0.999 224 HG2 LYS 29 2HG LYS 29 7.722 7.431 1.008 225 HG3 LYS 29 1HG LYS 29 6.735 5.967 1.120 226 HD2 LYS 29 2HD LYS 29 7.480 5.259 -1.078 227 HD3 LYS 29 1HD LYS 29 8.388 6.762 -1.283 228 HE2 LYS 29 2HE LYS 29 9.638 6.070 0.836 229 HE3 LYS 29 1HE LYS 29 8.931 4.474 0.586 230 HZ1 LYS 29 1HZ LYS 29 10.715 5.935 -1.291 231 HZ2 LYS 29 2HZ LYS 29 9.950 4.464 -1.652 232 HZ3 LYS 29 3HZ LYS 29 11.096 4.545 -0.409 233 H ILE 30 H ILE 30 4.667 10.499 -0.402 234 HA ILE 30 HA ILE 30 1.943 9.821 -1.293 235 HB ILE 30 HB ILE 30 3.262 12.541 -1.384 236 HG12 ILE 30 2HG1 ILE 30 3.272 12.080 0.920 237 HG13 ILE 30 1HG1 ILE 30 1.789 12.996 0.661 238 HG21 ILE 30 1HG2 ILE 30 0.978 13.382 -1.516 239 HG22 ILE 30 2HG2 ILE 30 0.367 11.726 -1.475 240 HG23 ILE 30 3HG2 ILE 30 1.338 12.276 -2.843 241 HD11 ILE 30 1HD1 ILE 30 0.527 10.887 0.631 242 HD12 ILE 30 2HD1 ILE 30 1.374 11.165 2.154 243 HD13 ILE 30 3HD1 ILE 30 2.022 10.017 0.981 244 H TRP 31 H TRP 31 1.471 9.725 -3.512 245 HA TRP 31 HA TRP 31 3.878 10.007 -5.187 246 HB2 TRP 31 2HB TRP 31 3.138 7.737 -5.121 247 HB3 TRP 31 1HB TRP 31 1.481 8.215 -5.512 248 HD1 TRP 31 HD TRP 31 0.904 8.551 -8.013 249 HE1 TRP 31 1HE TRP 31 2.219 8.265 -10.226 250 HE3 TRP 31 3HE TRP 31 5.515 8.141 -6.035 251 HZ2 TRP 31 2HZ TRP 31 4.897 7.929 -10.974 252 HZ3 TRP 31 3HZ TRP 31 7.436 7.863 -7.553 253 HH2 TRP 31 HH TRP 31 7.118 7.762 -9.965 254 H ASP 32 H ASP 32 3.895 11.436 -6.752 255 HA ASP 32 HA ASP 32 1.353 12.637 -7.632 256 HB2 ASP 32 2HB ASP 32 3.008 14.192 -6.608 257 HB3 ASP 32 1HB ASP 32 4.151 13.763 -7.881 258 HA PRO 33 HA PRO 33 2.298 10.330 -11.360 259 HB2 PRO 33 2HB PRO 33 -0.073 10.635 -12.545 260 HB3 PRO 33 1HB PRO 33 0.120 9.599 -11.126 261 HG2 PRO 33 2HG PRO 33 -0.941 12.395 -11.292 262 HG3 PRO 33 1HG PRO 33 -1.565 11.012 -10.376 263 HD2 PRO 33 2HD PRO 33 -0.017 12.989 -9.285 264 HD3 PRO 33 1HD PRO 33 -0.095 11.331 -8.656 265 H SER 34 H SER 34 2.037 13.631 -11.074 266 HA SER 34 HA SER 34 2.001 14.140 -13.952 267 HB2 SER 34 2HB SER 34 2.244 16.304 -11.894 268 HB3 SER 34 1HB SER 34 1.471 16.357 -13.479 269 HG SER 34 HG SER 34 -0.212 15.073 -12.648 270 H SER 35 H SER 35 4.128 13.802 -11.346 271 HA SER 35 HA SER 35 6.320 15.012 -12.899 272 HB2 SER 35 2HB SER 35 6.412 14.568 -9.925 273 HB3 SER 35 1HB SER 35 7.341 15.704 -10.904 274 HG SER 35 HG SER 35 4.546 15.843 -10.349 275 H LYS 36 H LYS 36 5.194 12.371 -10.924 276 HA LYS 36 HA LYS 36 5.597 10.173 -11.030 277 HB2 LYS 36 2HB LYS 36 6.284 10.574 -13.448 278 HB3 LYS 36 1HB LYS 36 7.941 10.566 -12.845 279 HG2 LYS 36 2HG LYS 36 7.576 8.353 -11.888 280 HG3 LYS 36 1HG LYS 36 5.928 8.368 -12.513 281 HD2 LYS 36 2HD LYS 36 6.618 8.186 -14.722 282 HD3 LYS 36 1HD LYS 36 8.239 8.788 -14.370 283 HE2 LYS 36 2HE LYS 36 8.661 6.705 -13.082 284 HE3 LYS 36 1HE LYS 36 7.099 6.099 -13.628 285 HZ1 LYS 36 1HZ LYS 36 8.936 5.294 -15.014 286 HZ2 LYS 36 2HZ LYS 36 9.340 6.890 -15.411 287 HZ3 LYS 36 3HZ LYS 36 7.854 6.247 -15.909 288 H MET 37 H MET 37 6.598 12.060 -9.323 289 HA MET 37 HA MET 37 8.762 10.610 -8.110 290 HB2 MET 37 2HB MET 37 9.222 12.851 -6.938 291 HB3 MET 37 1HB MET 37 9.734 12.709 -8.613 292 HG2 MET 37 2HG MET 37 7.435 13.769 -9.136 293 HG3 MET 37 1HG MET 37 7.489 14.274 -7.448 294 HE1 MET 37 1HE MET 37 10.803 15.404 -10.459 295 HE2 MET 37 2HE MET 37 9.429 14.390 -10.896 296 HE3 MET 37 3HE MET 37 10.624 13.806 -9.741 297 H TYR 38 H TYR 38 8.544 11.162 -5.654 298 HA TYR 38 HA TYR 38 5.748 11.212 -4.894 299 HB2 TYR 38 2HB TYR 38 6.035 9.161 -3.531 300 HB3 TYR 38 1HB TYR 38 6.208 8.842 -5.252 301 HD1 TYR 38 1HD TYR 38 8.256 7.998 -6.153 302 HD2 TYR 38 2HD TYR 38 8.024 9.205 -2.087 303 HE1 TYR 38 1HE TYR 38 10.431 6.949 -5.714 304 HE2 TYR 38 2HE TYR 38 10.193 8.164 -1.638 305 HH TYR 38 HH TYR 38 11.654 5.994 -3.722 306 H THR 39 H THR 39 5.699 11.337 -2.391 307 HA THR 39 HA THR 39 8.200 12.567 -1.465 308 HB THR 39 HB THR 39 7.033 14.153 -0.202 309 HG1 THR 39 1HG THR 39 4.481 13.887 -0.749 310 HG21 THR 39 1HG2 THR 39 7.202 14.736 -2.526 311 HG22 THR 39 2HG2 THR 39 5.679 15.346 -1.875 312 HG23 THR 39 3HG2 THR 39 5.695 13.889 -2.868 313 H SER 40 H SER 40 9.158 11.319 -0.126 314 HA SER 40 HA SER 40 7.680 9.294 1.360 315 HB2 SER 40 2HB SER 40 9.573 8.633 -0.116 316 HB3 SER 40 1HB SER 40 10.658 9.546 0.930 317 HG SER 40 HG SER 40 9.804 8.166 2.670 318 H ILE 41 H ILE 41 7.192 9.692 3.422 319 HA ILE 41 HA ILE 41 8.711 11.680 4.881 320 HB ILE 41 HB ILE 41 7.145 11.419 6.659 321 HG12 ILE 41 2HG1 ILE 41 5.771 9.164 5.230 322 HG13 ILE 41 1HG1 ILE 41 7.039 8.877 6.417 323 HG21 ILE 41 1HG2 ILE 41 5.692 11.314 4.046 324 HG22 ILE 41 2HG2 ILE 41 6.376 12.746 4.812 325 HG23 ILE 41 3HG2 ILE 41 5.025 11.900 5.569 326 HD11 ILE 41 1HD1 ILE 41 4.416 10.270 6.902 327 HD12 ILE 41 2HD1 ILE 41 5.700 10.068 8.097 328 HD13 ILE 41 3HD1 ILE 41 4.875 8.653 7.442 329 HA PRO 42 HA PRO 42 11.585 8.897 6.722 330 HB2 PRO 42 2HB PRO 42 11.286 10.659 9.114 331 HB3 PRO 42 1HB PRO 42 12.747 10.209 8.225 332 HG2 PRO 42 2HG PRO 42 11.741 12.636 7.961 333 HG3 PRO 42 1HG PRO 42 12.355 11.765 6.539 334 HD2 PRO 42 2HD PRO 42 9.519 12.138 7.452 335 HD3 PRO 42 1HD PRO 42 10.197 12.275 5.812 336 H ASN 43 H ASN 43 11.210 6.994 7.672 337 HA ASN 43 HA ASN 43 8.709 6.464 8.948 338 HB2 ASN 43 2HB ASN 43 10.055 4.815 7.558 339 HB3 ASN 43 1HB ASN 43 11.140 4.658 8.935 340 HD21 ASN 43 1HD2 ASN 43 7.967 3.983 7.692 341 HD22 ASN 43 2HD2 ASN 43 7.509 2.847 8.912 342 H ASP 44 H ASP 44 9.089 8.225 10.520 343 HA ASP 44 HA ASP 44 9.318 7.329 13.118 344 HB2 ASP 44 2HB ASP 44 11.685 6.933 12.850 345 HB3 ASP 44 1HB ASP 44 11.909 8.498 12.074 346 H LYS 45 H LYS 45 10.603 10.078 11.294 347 HA LYS 45 HA LYS 45 8.824 11.855 12.822 348 HB2 LYS 45 2HB LYS 45 10.581 13.629 12.366 349 HB3 LYS 45 1HB LYS 45 11.052 12.353 13.479 350 HG2 LYS 45 2HG LYS 45 12.238 11.225 11.626 351 HG3 LYS 45 1HG LYS 45 11.838 12.589 10.580 352 HD2 LYS 45 2HD LYS 45 13.836 13.373 11.245 353 HD3 LYS 45 1HD LYS 45 12.958 13.869 12.693 354 HE2 LYS 45 2HE LYS 45 14.299 11.193 12.414 355 HE3 LYS 45 1HE LYS 45 15.123 12.609 13.063 356 HZ1 LYS 45 1HZ LYS 45 14.336 11.533 14.931 357 HZ2 LYS 45 2HZ LYS 45 12.867 11.085 14.208 358 HZ3 LYS 45 3HZ LYS 45 13.135 12.700 14.666 359 HA PRO 46 HA PRO 46 7.330 12.478 8.598 360 HB2 PRO 46 2HB PRO 46 4.893 13.460 9.821 361 HB3 PRO 46 1HB PRO 46 5.141 11.974 8.899 362 HG2 PRO 46 2HG PRO 46 4.594 12.006 11.573 363 HG3 PRO 46 1HG PRO 46 5.521 10.720 10.782 364 HD2 PRO 46 2HD PRO 46 6.511 13.075 12.352 365 HD3 PRO 46 1HD PRO 46 7.058 11.384 12.393 366 H GLY 47 H GLY 47 7.943 14.613 11.133 367 HA2 GLY 47 2HA GLY 47 8.831 16.805 10.511 368 HA3 GLY 47 1HA GLY 47 7.513 16.925 9.355 369 H GLY 48 H GLY 48 7.003 15.647 12.556 370 HA2 GLY 48 2HA GLY 48 4.982 17.572 13.109 371 HA3 GLY 48 1HA GLY 48 5.590 16.362 14.229 372 H SER 49 H SER 49 8.354 17.280 13.981 373 HA SER 49 HA SER 49 8.152 19.521 15.828 374 HB2 SER 49 2HB SER 49 10.753 18.217 15.129 375 HB3 SER 49 1HB SER 49 10.199 18.850 16.679 376 HG SER 49 HG SER 49 10.077 16.674 16.891 377 H SER 50 H SER 50 9.981 21.164 15.637 378 HA SER 50 HA SER 50 9.649 22.799 13.486 379 HB2 SER 50 2HB SER 50 12.335 22.960 14.654 380 HB3 SER 50 1HB SER 50 11.033 24.153 14.647 381 HG SER 50 HG SER 50 10.076 23.081 16.382 382 H GLN 51 H GLN 51 12.374 20.528 13.918 383 HA GLN 51 HA GLN 51 12.746 20.585 11.010 384 HB2 GLN 51 2HB GLN 51 15.309 20.367 11.716 385 HB3 GLN 51 1HB GLN 51 14.546 21.928 11.450 386 HG2 GLN 51 2HG GLN 51 15.804 22.106 13.442 387 HG3 GLN 51 1HG GLN 51 14.111 22.014 13.925 388 HE21 GLN 51 1HE2 GLN 51 17.197 20.544 14.057 389 HE22 GLN 51 2HE2 GLN 51 16.779 19.227 15.099 390 H ALA 52 H ALA 52 11.365 18.618 12.320 391 HA ALA 52 HA ALA 52 13.243 16.416 12.754 392 HB1 ALA 52 1HB ALA 52 11.295 15.171 13.563 393 HB2 ALA 52 2HB ALA 52 10.262 16.544 13.168 394 HB3 ALA 52 3HB ALA 52 11.498 16.702 14.414 395 H THR 53 H THR 53 13.633 16.790 10.310 396 HA THR 53 HA THR 53 12.480 14.574 8.916 397 HB THR 53 HB THR 53 11.974 16.295 6.936 398 HG1 THR 53 1HG THR 53 11.295 18.223 7.625 399 HG21 THR 53 1HG2 THR 53 9.589 16.041 7.453 400 HG22 THR 53 2HG2 THR 53 10.009 15.503 9.080 401 HG23 THR 53 3HG2 THR 53 10.480 14.537 7.683 402 H LYS 54 H LYS 54 13.401 14.537 6.599 403 HA LYS 54 HA LYS 54 16.156 15.568 6.706 404 HB2 LYS 54 2HB LYS 54 16.776 13.737 5.251 405 HB3 LYS 54 1HB LYS 54 15.872 13.093 6.617 406 HG2 LYS 54 2HG LYS 54 14.522 12.083 5.184 407 HG3 LYS 54 1HG LYS 54 13.981 13.670 4.636 408 HD2 LYS 54 2HD LYS 54 14.727 12.406 2.727 409 HD3 LYS 54 1HD LYS 54 15.873 13.709 3.034 410 HE2 LYS 54 2HE LYS 54 17.346 12.118 4.196 411 HE3 LYS 54 1HE LYS 54 16.200 10.824 3.839 412 HZ1 LYS 54 1HZ LYS 54 16.858 10.706 1.704 413 HZ2 LYS 54 2HZ LYS 54 18.282 11.416 2.294 414 HZ3 LYS 54 3HZ LYS 54 17.099 12.380 1.557 415 H GLU 55 H GLU 55 13.510 16.737 5.646 416 HA GLU 55 HA GLU 55 12.841 18.128 3.999 417 HB2 GLU 55 2HB GLU 55 15.765 17.961 3.359 418 HB3 GLU 55 1HB GLU 55 14.662 18.788 2.262 419 HG2 GLU 55 2HG GLU 55 15.188 19.428 5.145 420 HG3 GLU 55 1HG GLU 55 15.599 20.402 3.731 421 H ILE 56 H ILE 56 11.468 16.502 3.345 422 HA ILE 56 HA ILE 56 12.309 14.684 1.246 423 HB ILE 56 HB ILE 56 9.560 14.989 2.444 424 HG12 ILE 56 2HG1 ILE 56 10.444 12.745 3.570 425 HG13 ILE 56 1HG1 ILE 56 12.007 13.528 3.363 426 HG21 ILE 56 1HG2 ILE 56 10.875 12.815 0.837 427 HG22 ILE 56 2HG2 ILE 56 9.598 13.904 0.293 428 HG23 ILE 56 3HG2 ILE 56 9.270 12.721 1.561 429 HD11 ILE 56 1HD1 ILE 56 11.104 13.932 5.575 430 HD12 ILE 56 2HD1 ILE 56 9.658 14.654 4.870 431 HD13 ILE 56 3HD1 ILE 56 11.226 15.436 4.663 432 H LYS 57 H LYS 57 12.700 15.974 -0.469 433 HA LYS 57 HA LYS 57 10.502 17.543 -1.552 434 HB2 LYS 57 2HB LYS 57 13.281 17.029 -2.658 435 HB3 LYS 57 1HB LYS 57 12.108 18.159 -3.320 436 HG2 LYS 57 2HG LYS 57 13.775 18.376 -0.858 437 HG3 LYS 57 1HG LYS 57 13.501 19.553 -2.141 438 HD2 LYS 57 2HD LYS 57 11.081 19.643 -1.277 439 HD3 LYS 57 1HD LYS 57 11.703 18.823 0.156 440 HE2 LYS 57 2HE LYS 57 13.457 20.708 0.216 441 HE3 LYS 57 1HE LYS 57 12.377 21.552 -0.892 442 HZ1 LYS 57 1HZ LYS 57 10.624 20.912 0.951 443 HZ2 LYS 57 2HZ LYS 57 11.583 22.304 1.084 444 HZ3 LYS 57 3HZ LYS 57 12.007 20.904 1.939 445 HA PRO 58 HA PRO 58 8.822 14.317 -4.015 446 HB2 PRO 58 2HB PRO 58 8.827 15.537 -6.531 447 HB3 PRO 58 1HB PRO 58 7.536 15.617 -5.333 448 HG2 PRO 58 2HG PRO 58 9.693 17.583 -5.926 449 HG3 PRO 58 1HG PRO 58 8.009 17.866 -5.442 450 HD2 PRO 58 2HD PRO 58 10.028 18.159 -3.704 451 HD3 PRO 58 1HD PRO 58 8.463 17.488 -3.196 452 H GLN 59 H GLN 59 10.136 12.638 -4.213 453 HA GLN 59 HA GLN 59 12.462 12.829 -6.008 454 HB2 GLN 59 2HB GLN 59 11.878 11.159 -3.586 455 HB3 GLN 59 1HB GLN 59 13.042 10.590 -4.775 456 HG2 GLN 59 2HG GLN 59 14.586 12.138 -4.217 457 HG3 GLN 59 1HG GLN 59 13.382 13.372 -3.854 458 HE21 GLN 59 1HE2 GLN 59 12.427 13.422 -1.813 459 HE22 GLN 59 2HE2 GLN 59 13.143 12.616 -0.456 460 H LYS 60 H LYS 60 12.639 11.517 -7.727 461 HA LYS 60 HA LYS 60 10.335 10.356 -8.830 462 HB2 LYS 60 2HB LYS 60 12.459 11.498 -9.937 463 HB3 LYS 60 1HB LYS 60 13.040 9.837 -9.966 464 HG2 LYS 60 2HG LYS 60 11.568 9.205 -11.550 465 HG3 LYS 60 1HG LYS 60 10.305 10.291 -10.967 466 HD2 LYS 60 2HD LYS 60 11.655 12.196 -11.890 467 HD3 LYS 60 1HD LYS 60 12.713 10.992 -12.639 468 HE2 LYS 60 2HE LYS 60 10.146 10.195 -13.330 469 HE3 LYS 60 1HE LYS 60 10.114 11.952 -13.475 470 HZ1 LYS 60 1HZ LYS 60 12.187 10.225 -14.708 471 HZ2 LYS 60 2HZ LYS 60 11.961 11.888 -14.956 472 HZ3 LYS 60 3HZ LYS 60 10.807 10.784 -15.526 473 H LEU 61 H LEU 61 10.018 8.238 -9.428 474 HA LEU 61 HA LEU 61 10.550 6.345 -7.471 475 HB2 LEU 61 2HB LEU 61 9.454 6.257 -10.212 476 HB3 LEU 61 1HB LEU 61 9.957 4.743 -9.498 477 HG LEU 61 HG LEU 61 7.851 6.635 -8.482 478 HD11 LEU 61 1HD1 LEU 61 7.801 3.742 -9.346 479 HD12 LEU 61 2HD1 LEU 61 7.202 5.112 -10.280 480 HD13 LEU 61 3HD1 LEU 61 6.423 4.674 -8.760 481 HD21 LEU 61 1HD2 LEU 61 9.290 5.789 -6.651 482 HD22 LEU 61 2HD2 LEU 61 8.884 4.144 -7.140 483 HD23 LEU 61 3HD2 LEU 61 7.620 5.231 -6.560 484 H GLY 62 H GLY 62 12.227 5.263 -6.974 485 HA2 GLY 62 2HA GLY 62 14.581 5.070 -8.496 486 HA3 GLY 62 1HA GLY 62 14.189 4.074 -7.098 487 H GLU 63 H GLU 63 15.504 2.667 -8.752 488 HA GLU 63 HA GLU 63 13.997 1.594 -10.952 489 HB2 GLU 63 2HB GLU 63 16.447 0.339 -9.760 490 HB3 GLU 63 1HB GLU 63 15.899 0.315 -11.431 491 HG2 GLU 63 2HG GLU 63 16.629 2.905 -10.151 492 HG3 GLU 63 1HG GLU 63 17.894 1.823 -10.726 493 H ASP 64 H ASP 64 13.911 1.018 -7.638 494 HA ASP 64 HA ASP 64 12.814 -1.687 -8.111 495 HB2 ASP 64 2HB ASP 64 15.060 -1.488 -6.812 496 HB3 ASP 64 1HB ASP 64 14.056 -0.917 -5.485 497 H GLU 65 H GLU 65 11.451 0.927 -8.038 498 HA GLU 65 HA GLU 65 9.630 0.335 -5.797 499 HB2 GLU 65 2HB GLU 65 10.919 2.872 -6.628 500 HB3 GLU 65 1HB GLU 65 9.350 2.934 -5.828 501 HG2 GLU 65 2HG GLU 65 10.535 1.375 -4.085 502 HG3 GLU 65 1HG GLU 65 11.994 2.088 -4.763 503 H SER 66 H SER 66 9.803 0.100 -8.866 504 HA SER 66 HA SER 66 8.033 1.517 -10.297 505 HB2 SER 66 2HB SER 66 7.957 -1.483 -10.442 506 HB3 SER 66 1HB SER 66 7.858 -0.309 -11.755 507 HG SER 66 HG SER 66 9.910 -1.043 -11.829 508 H ILE 67 H ILE 67 6.093 2.204 -9.918 509 HA ILE 67 HA ILE 67 4.214 0.824 -8.187 510 HB ILE 67 HB ILE 67 4.151 3.493 -9.602 511 HG12 ILE 67 2HG1 ILE 67 4.404 2.860 -6.668 512 HG13 ILE 67 1HG1 ILE 67 5.766 3.204 -7.728 513 HG21 ILE 67 1HG2 ILE 67 1.873 2.683 -9.334 514 HG22 ILE 67 2HG2 ILE 67 2.192 4.046 -8.263 515 HG23 ILE 67 3HG2 ILE 67 2.163 2.406 -7.616 516 HD11 ILE 67 1HD1 ILE 67 3.488 5.077 -7.181 517 HD12 ILE 67 2HD1 ILE 67 4.919 5.416 -8.159 518 HD13 ILE 67 3HD1 ILE 67 5.079 5.144 -6.420 519 HA PRO 68 HA PRO 68 1.800 -1.104 -11.500 520 HB2 PRO 68 2HB PRO 68 -0.478 -0.012 -9.896 521 HB3 PRO 68 1HB PRO 68 -0.257 -1.629 -10.576 522 HG2 PRO 68 2HG PRO 68 0.140 -1.201 -7.982 523 HG3 PRO 68 1HG PRO 68 1.212 -2.279 -8.896 524 HD2 PRO 68 2HD PRO 68 1.702 0.482 -7.899 525 HD3 PRO 68 1HD PRO 68 2.840 -0.863 -8.096 526 H GLU 69 H GLU 69 1.400 -0.194 -13.438 527 HA GLU 69 HA GLU 69 1.419 2.593 -13.746 528 HB2 GLU 69 2HB GLU 69 0.744 0.461 -15.763 529 HB3 GLU 69 1HB GLU 69 1.103 2.146 -16.139 530 HG2 GLU 69 2HG GLU 69 3.296 1.752 -14.875 531 HG3 GLU 69 1HG GLU 69 2.928 0.040 -15.045 532 H GLU 70 H GLU 70 -1.190 0.719 -12.839 533 HA GLU 70 HA GLU 70 -3.148 2.418 -14.165 534 HB2 GLU 70 2HB GLU 70 -4.762 1.039 -12.661 535 HB3 GLU 70 1HB GLU 70 -4.006 0.272 -14.050 536 HG2 GLU 70 2HG GLU 70 -2.500 0.043 -11.549 537 HG3 GLU 70 1HG GLU 70 -4.070 -0.760 -11.554 538 H ILE 71 H ILE 71 -1.521 2.158 -11.117 539 HA ILE 71 HA ILE 71 -3.325 4.165 -9.945 540 HB ILE 71 HB ILE 71 -2.484 3.533 -7.776 541 HG12 ILE 71 2HG1 ILE 71 -0.647 1.608 -9.223 542 HG13 ILE 71 1HG1 ILE 71 -0.135 3.108 -8.454 543 HG21 ILE 71 1HG2 ILE 71 -4.282 2.175 -8.588 544 HG22 ILE 71 2HG2 ILE 71 -3.143 1.128 -7.743 545 HG23 ILE 71 3HG2 ILE 71 -3.168 1.160 -9.506 546 HD11 ILE 71 1HD1 ILE 71 -1.334 0.715 -7.078 547 HD12 ILE 71 2HD1 ILE 71 -0.885 2.229 -6.290 548 HD13 ILE 71 3HD1 ILE 71 0.355 1.222 -7.036 549 H ILE 72 H ILE 72 -0.147 3.637 -11.130 550 HA ILE 72 HA ILE 72 1.309 5.706 -9.859 551 HB ILE 72 HB ILE 72 2.075 3.743 -11.297 552 HG12 ILE 72 2HG1 ILE 72 3.344 5.995 -10.463 553 HG13 ILE 72 1HG1 ILE 72 4.145 4.630 -11.230 554 HG21 ILE 72 1HG2 ILE 72 2.566 4.290 -13.661 555 HG22 ILE 72 2HG2 ILE 72 1.590 5.746 -13.480 556 HG23 ILE 72 3HG2 ILE 72 0.843 4.159 -13.304 557 HD11 ILE 72 1HD1 ILE 72 4.045 5.745 -13.376 558 HD12 ILE 72 2HD1 ILE 72 4.833 6.774 -12.181 559 HD13 ILE 72 3HD1 ILE 72 3.165 7.092 -12.655 560 H ASN 73 H ASN 73 -1.119 5.747 -12.245 561 HA ASN 73 HA ASN 73 -0.372 8.444 -13.094 562 HB2 ASN 73 2HB ASN 73 -0.917 6.356 -14.666 563 HB3 ASN 73 1HB ASN 73 -2.559 6.943 -14.429 564 HD21 ASN 73 1HD2 ASN 73 0.589 7.678 -15.696 565 HD22 ASN 73 2HD2 ASN 73 0.097 8.991 -16.708 566 H GLY 74 H GLY 74 -1.972 7.221 -10.663 567 HA2 GLY 74 2HA GLY 74 -4.124 9.259 -10.891 568 HA3 GLY 74 1HA GLY 74 -4.511 7.632 -10.362 569 H LYS 75 H LYS 75 -1.609 9.354 -9.418 570 HA LYS 75 HA LYS 75 -0.776 10.018 -7.413 571 HB2 LYS 75 2HB LYS 75 -2.609 11.681 -7.551 572 HB3 LYS 75 1HB LYS 75 -3.658 10.573 -6.677 573 HG2 LYS 75 2HG LYS 75 -2.834 11.215 -4.715 574 HG3 LYS 75 1HG LYS 75 -1.170 11.012 -5.268 575 HD2 LYS 75 2HD LYS 75 -2.838 13.406 -6.016 576 HD3 LYS 75 1HD LYS 75 -1.874 13.359 -4.540 577 HE2 LYS 75 2HE LYS 75 0.138 12.944 -5.883 578 HE3 LYS 75 1HE LYS 75 -0.830 13.013 -7.353 579 HZ1 LYS 75 1HZ LYS 75 0.201 15.112 -7.080 580 HZ2 LYS 75 2HZ LYS 75 -0.266 15.227 -5.453 581 HZ3 LYS 75 3HZ LYS 75 -1.435 15.332 -6.679 582 H CYS 76 H CYS 76 0.125 8.485 -6.292 583 HA CYS 76 HA CYS 76 -1.624 6.457 -5.055 584 HB2 CYS 76 2HB CYS 76 0.107 5.793 -6.850 585 HB3 CYS 76 1HB CYS 76 1.304 6.054 -5.586 586 HG CYS 76 HG CYS 76 -1.319 3.911 -5.165 587 H PHE 77 H PHE 77 -0.534 5.397 -3.115 588 HA PHE 77 HA PHE 77 0.947 7.295 -1.475 589 HB2 PHE 77 2HB PHE 77 -1.664 6.013 -0.663 590 HB3 PHE 77 1HB PHE 77 -0.610 6.925 0.415 591 HD1 PHE 77 1HD PHE 77 -0.010 9.337 -0.415 592 HD2 PHE 77 2HD PHE 77 -3.384 7.100 -1.710 593 HE1 PHE 77 1HE PHE 77 -1.117 11.419 -1.105 594 HE2 PHE 77 2HE PHE 77 -4.504 9.180 -2.391 595 HZ PHE 77 HZ PHE 77 -3.366 11.339 -2.112 596 H PHE 78 H PHE 78 2.664 6.254 -0.825 597 HA PHE 78 HA PHE 78 2.661 3.358 -0.577 598 HB2 PHE 78 2HB PHE 78 4.598 4.719 -1.521 599 HB3 PHE 78 1HB PHE 78 4.900 5.265 0.123 600 HD1 PHE 78 1HD PHE 78 6.358 4.067 1.453 601 HD2 PHE 78 2HD PHE 78 4.517 2.143 -1.860 602 HE1 PHE 78 1HE PHE 78 7.752 2.074 1.834 603 HE2 PHE 78 2HE PHE 78 5.903 0.148 -1.488 604 HZ PHE 78 HZ PHE 78 7.521 0.111 0.361 605 H ILE 79 H ILE 79 1.485 2.802 1.141 606 HA ILE 79 HA ILE 79 1.904 4.199 3.694 607 HB ILE 79 HB ILE 79 -0.141 3.354 4.443 608 HG12 ILE 79 2HG1 ILE 79 0.256 1.362 2.260 609 HG13 ILE 79 1HG1 ILE 79 -0.195 1.110 3.944 610 HG21 ILE 79 1HG2 ILE 79 -0.421 5.173 2.878 611 HG22 ILE 79 2HG2 ILE 79 -1.761 4.034 2.736 612 HG23 ILE 79 3HG2 ILE 79 -0.476 4.035 1.529 613 HD11 ILE 79 1HD1 ILE 79 -1.976 2.236 1.804 614 HD12 ILE 79 2HD1 ILE 79 -2.428 1.923 3.479 615 HD13 ILE 79 3HD1 ILE 79 -2.014 0.582 2.410 616 H HIS 80 H HIS 80 1.673 2.903 5.550 617 HA HIS 80 HA HIS 80 2.956 0.282 5.331 618 HB2 HIS 80 2HB HIS 80 4.684 1.576 6.178 619 HB3 HIS 80 1HB HIS 80 3.593 2.705 6.964 620 HD1 HIS 80 1HD HIS 80 5.591 -0.338 7.540 621 HD2 HIS 80 2HD HIS 80 2.701 1.916 9.482 622 HE1 HIS 80 1HE HIS 80 5.670 -1.086 9.950 623 HE2 HIS 80 2HE HIS 80 3.745 0.124 11.054 624 H TYR 81 H TYR 81 1.245 -0.975 5.625 625 HA TYR 81 HA TYR 81 -1.154 -0.383 6.799 626 HB2 TYR 81 2HB TYR 81 0.250 -3.001 6.385 627 HB3 TYR 81 1HB TYR 81 -1.355 -2.923 7.109 628 HD1 TYR 81 1HD TYR 81 -3.196 -1.733 5.776 629 HD2 TYR 81 2HD TYR 81 0.495 -2.961 4.050 630 HE1 TYR 81 1HE TYR 81 -4.208 -1.619 3.539 631 HE2 TYR 81 2HE TYR 81 -0.509 -2.843 1.810 632 HH TYR 81 HH TYR 81 -2.468 -2.710 0.683 633 H GLN 82 H GLN 82 -1.693 0.201 8.719 634 HA GLN 82 HA GLN 82 -0.048 -0.194 11.007 635 HB2 GLN 82 2HB GLN 82 -2.916 0.742 10.766 636 HB3 GLN 82 1HB GLN 82 -2.003 0.746 12.272 637 HG2 GLN 82 2HG GLN 82 -0.307 2.097 10.668 638 HG3 GLN 82 1HG GLN 82 -1.854 2.550 9.955 639 HE21 GLN 82 1HE2 GLN 82 -3.390 2.495 12.359 640 HE22 GLN 82 2HE2 GLN 82 -2.872 3.843 13.319 641 H GLY 83 H GLY 83 -0.103 -1.729 12.544 642 HA2 GLY 83 2HA GLY 83 -1.237 -3.428 13.817 643 HA3 GLY 83 1HA GLY 83 -2.267 -3.721 12.415 644 H TRP 84 H TRP 84 0.240 -3.370 10.754 645 HA TRP 84 HA TRP 84 1.199 -6.130 11.053 646 HB2 TRP 84 2HB TRP 84 1.153 -4.302 8.641 647 HB3 TRP 84 1HB TRP 84 1.861 -5.915 8.656 648 HD1 TRP 84 HD TRP 84 -1.391 -4.127 8.162 649 HE1 TRP 84 1HE TRP 84 -3.275 -5.837 7.761 650 HE3 TRP 84 3HE TRP 84 1.095 -8.391 9.476 651 HZ2 TRP 84 2HZ TRP 84 -3.652 -8.631 7.977 652 HZ3 TRP 84 3HZ TRP 84 -0.092 -10.539 9.350 653 HH2 TRP 84 HH TRP 84 -2.417 -10.657 8.617 654 H LYS 85 H LYS 85 3.247 -4.760 8.936 655 HA LYS 85 HA LYS 85 4.927 -3.281 10.738 656 HB2 LYS 85 2HB LYS 85 6.841 -4.825 10.649 657 HB3 LYS 85 1HB LYS 85 5.468 -5.529 11.491 658 HG2 LYS 85 2HG LYS 85 4.920 -6.586 9.191 659 HG3 LYS 85 1HG LYS 85 6.610 -6.227 8.820 660 HD2 LYS 85 2HD LYS 85 5.533 -7.963 11.040 661 HD3 LYS 85 1HD LYS 85 6.510 -8.464 9.661 662 HE2 LYS 85 2HE LYS 85 8.358 -7.043 10.539 663 HE3 LYS 85 1HE LYS 85 7.378 -6.724 11.969 664 HZ1 LYS 85 1HZ LYS 85 8.848 -8.481 12.498 665 HZ2 LYS 85 2HZ LYS 85 8.480 -9.326 11.073 666 HZ3 LYS 85 3HZ LYS 85 7.317 -9.189 12.300 667 H SER 86 H SER 86 7.308 -3.336 9.506 668 HA SER 86 HA SER 86 6.986 -1.697 7.280 669 HB2 SER 86 2HB SER 86 9.550 -3.062 7.332 670 HB3 SER 86 1HB SER 86 9.178 -1.365 7.650 671 HG SER 86 HG SER 86 9.738 -1.940 9.618 672 H SER 87 H SER 87 7.168 -5.166 7.481 673 HA SER 87 HA SER 87 7.918 -5.671 4.794 674 HB2 SER 87 2HB SER 87 6.291 -7.551 6.488 675 HB3 SER 87 1HB SER 87 7.523 -7.937 5.285 676 HG SER 87 HG SER 87 8.985 -7.794 6.771 677 H TRP 88 H TRP 88 5.199 -4.216 5.921 678 HA TRP 88 HA TRP 88 3.534 -5.313 3.759 679 HB2 TRP 88 2HB TRP 88 2.791 -4.302 6.487 680 HB3 TRP 88 1HB TRP 88 1.606 -4.365 5.182 681 HD1 TRP 88 HD TRP 88 3.818 -6.698 7.303 682 HE1 TRP 88 1HE TRP 88 2.809 -9.067 7.237 683 HE3 TRP 88 3HE TRP 88 0.113 -5.890 3.882 684 HZ2 TRP 88 2HZ TRP 88 0.710 -10.408 5.902 685 HZ3 TRP 88 3HZ TRP 88 -1.350 -7.766 3.261 686 HH2 TRP 88 HH TRP 88 -1.058 -9.979 4.248 687 H ASP 89 H ASP 89 5.511 -2.995 3.869 688 HA ASP 89 HA ASP 89 3.943 -0.630 3.493 689 HB2 ASP 89 2HB ASP 89 6.801 -1.378 2.860 690 HB3 ASP 89 1HB ASP 89 6.129 0.154 2.321 691 H GLU 90 H GLU 90 2.576 -0.382 1.819 692 HA GLU 90 HA GLU 90 3.352 -1.501 -0.788 693 HB2 GLU 90 2HB GLU 90 1.366 -2.585 0.780 694 HB3 GLU 90 1HB GLU 90 0.463 -1.513 -0.282 695 HG2 GLU 90 2HG GLU 90 2.359 -2.976 -1.824 696 HG3 GLU 90 1HG GLU 90 1.438 -4.090 -0.816 697 H TRP 91 H TRP 91 1.834 -0.673 -2.558 698 HA TRP 91 HA TRP 91 1.607 2.246 -2.275 699 HB2 TRP 91 2HB TRP 91 2.086 0.407 -4.600 700 HB3 TRP 91 1HB TRP 91 1.411 2.001 -4.877 701 HD1 TRP 91 HD TRP 91 4.623 0.234 -4.579 702 HE1 TRP 91 1HE TRP 91 6.571 1.908 -4.556 703 HE3 TRP 91 3HE TRP 91 1.993 4.554 -3.744 704 HZ2 TRP 91 2HZ TRP 91 6.941 4.689 -4.236 705 HZ3 TRP 91 3HZ TRP 91 3.250 6.674 -3.584 706 HH2 TRP 91 HH TRP 91 5.667 6.729 -3.817 707 H VAL 92 H VAL 92 -0.452 2.796 -1.738 708 HA VAL 92 HA VAL 92 -2.610 1.434 -3.209 709 HB VAL 92 HB VAL 92 -4.146 2.115 -1.416 710 HG11 VAL 92 1HG1 VAL 92 -3.202 -0.100 -1.331 711 HG12 VAL 92 2HG1 VAL 92 -3.331 0.540 0.305 712 HG13 VAL 92 3HG1 VAL 92 -1.765 0.504 -0.504 713 HG21 VAL 92 1HG2 VAL 92 -2.977 4.076 -0.612 714 HG22 VAL 92 2HG2 VAL 92 -1.660 3.069 -0.011 715 HG23 VAL 92 3HG2 VAL 92 -3.267 2.947 0.710 716 H GLY 93 H GLY 93 -3.999 2.645 -4.412 717 HA2 GLY 93 2HA GLY 93 -3.287 5.494 -4.630 718 HA3 GLY 93 1HA GLY 93 -4.100 4.547 -5.870 719 H TYR 94 H TYR 94 -5.226 6.859 -5.399 720 HA TYR 94 HA TYR 94 -7.059 7.228 -3.356 721 HB2 TYR 94 2HB TYR 94 -6.807 8.123 -6.173 722 HB3 TYR 94 1HB TYR 94 -8.380 8.341 -5.416 723 HD1 TYR 94 1HD TYR 94 -5.278 9.795 -5.997 724 HD2 TYR 94 2HD TYR 94 -8.275 9.430 -3.015 725 HE1 TYR 94 1HE TYR 94 -4.471 11.852 -4.954 726 HE2 TYR 94 2HE TYR 94 -7.486 11.486 -1.956 727 HH TYR 94 HH TYR 94 -5.497 13.678 -3.446 728 H ASP 95 H ASP 95 -7.016 4.790 -5.542 729 HA ASP 95 HA ASP 95 -9.896 4.409 -5.804 730 HB2 ASP 95 2HB ASP 95 -9.382 2.656 -7.365 731 HB3 ASP 95 1HB ASP 95 -8.331 4.018 -7.742 732 H ARG 96 H ARG 96 -7.105 3.055 -4.195 733 HA ARG 96 HA ARG 96 -8.792 0.984 -2.964 734 HB2 ARG 96 2HB ARG 96 -5.785 1.357 -3.020 735 HB3 ARG 96 1HB ARG 96 -6.601 0.093 -2.113 736 HG2 ARG 96 2HG ARG 96 -7.350 -0.970 -4.097 737 HG3 ARG 96 1HG ARG 96 -6.865 0.404 -5.093 738 HD2 ARG 96 2HD ARG 96 -5.263 -1.410 -5.312 739 HD3 ARG 96 1HD ARG 96 -4.518 -0.025 -4.517 740 HE ARG 96 HE ARG 96 -5.589 -1.971 -2.686 741 HH11 ARG 96 1HH1 ARG 96 -2.783 -1.062 -4.589 742 HH12 ARG 96 2HH1 ARG 96 -1.666 -1.956 -3.608 743 HH21 ARG 96 1HH2 ARG 96 -4.115 -3.156 -1.398 744 HH22 ARG 96 2HH2 ARG 96 -2.418 -3.168 -1.809 745 H ILE 97 H ILE 97 -6.987 3.861 -2.376 746 HA ILE 97 HA ILE 97 -7.158 3.604 0.502 747 HB ILE 97 HB ILE 97 -5.184 4.623 -0.845 748 HG12 ILE 97 2HG1 ILE 97 -6.236 6.236 1.456 749 HG13 ILE 97 1HG1 ILE 97 -5.538 4.631 1.644 750 HG21 ILE 97 1HG2 ILE 97 -5.291 7.029 -1.148 751 HG22 ILE 97 2HG2 ILE 97 -6.984 7.021 -0.650 752 HG23 ILE 97 3HG2 ILE 97 -6.500 6.212 -2.140 753 HD11 ILE 97 1HD1 ILE 97 -3.425 5.414 0.801 754 HD12 ILE 97 2HD1 ILE 97 -3.944 6.438 2.138 755 HD13 ILE 97 3HD1 ILE 97 -4.111 7.005 0.473 756 H ARG 98 H ARG 98 -8.380 4.798 1.818 757 HA ARG 98 HA ARG 98 -10.359 6.651 0.669 758 HB2 ARG 98 2HB ARG 98 -10.978 4.668 2.872 759 HB3 ARG 98 1HB ARG 98 -12.107 5.726 2.038 760 HG2 ARG 98 2HG ARG 98 -10.596 3.650 0.511 761 HG3 ARG 98 1HG ARG 98 -12.016 3.201 1.454 762 HD2 ARG 98 2HD ARG 98 -12.742 3.611 -0.775 763 HD3 ARG 98 1HD ARG 98 -13.290 4.966 0.209 764 HE ARG 98 HE ARG 98 -10.801 5.210 -1.329 765 HH11 ARG 98 1HH1 ARG 98 -14.120 6.174 -0.765 766 HH12 ARG 98 2HH1 ARG 98 -14.005 7.600 -1.746 767 HH21 ARG 98 1HH2 ARG 98 -10.656 7.043 -2.664 768 HH22 ARG 98 2HH2 ARG 98 -12.034 8.086 -2.855 769 H ALA 99 H ALA 99 -11.525 7.579 2.958 770 HA ALA 99 HA ALA 99 -9.236 8.672 4.391 771 HB1 ALA 99 1HB ALA 99 -10.621 10.370 3.270 772 HB2 ALA 99 2HB ALA 99 -10.710 10.533 5.022 773 HB3 ALA 99 3HB ALA 99 -12.043 9.793 4.133 774 H TYR 100 H TYR 100 -9.036 8.113 6.398 775 HA TYR 100 HA TYR 100 -10.706 6.158 7.570 776 HB2 TYR 100 2HB TYR 100 -8.287 6.416 7.869 777 HB3 TYR 100 1HB TYR 100 -8.560 7.948 8.664 778 HD1 TYR 100 1HD TYR 100 -9.263 7.985 11.015 779 HD2 TYR 100 2HD TYR 100 -8.793 4.310 8.926 780 HE1 TYR 100 1HE TYR 100 -9.296 6.768 13.153 781 HE2 TYR 100 2HE TYR 100 -8.839 3.088 11.049 782 HH TYR 100 HH TYR 100 -8.441 3.417 13.356 783 H ASN 101 H ASN 101 -12.786 6.901 7.831 784 HA ASN 101 HA ASN 101 -13.251 8.880 9.901 785 HB2 ASN 101 2HB ASN 101 -14.880 10.140 8.495 786 HB3 ASN 101 1HB ASN 101 -13.218 10.294 7.936 787 HD21 ASN 101 1HD2 ASN 101 -13.324 10.506 5.816 788 HD22 ASN 101 2HD2 ASN 101 -14.179 9.456 4.738 789 H GLU 102 H GLU 102 -15.874 9.184 9.867 790 HA GLU 102 HA GLU 102 -16.826 6.724 10.870 791 HB2 GLU 102 2HB GLU 102 -18.574 9.052 10.133 792 HB3 GLU 102 1HB GLU 102 -18.808 7.882 11.424 793 HG2 GLU 102 2HG GLU 102 -17.009 8.846 12.689 794 HG3 GLU 102 1HG GLU 102 -16.592 9.922 11.351 795 H GLU 103 H GLU 103 -16.783 7.847 7.639 796 HA GLU 103 HA GLU 103 -19.190 6.334 6.951 797 HB2 GLU 103 2HB GLU 103 -18.896 8.618 6.028 798 HB3 GLU 103 1HB GLU 103 -17.465 8.056 5.173 799 HG2 GLU 103 2HG GLU 103 -19.166 8.019 3.579 800 HG3 GLU 103 1HG GLU 103 -18.975 6.340 4.076 801 H ASN 104 H ASN 104 -15.721 6.409 6.155 802 HA ASN 104 HA ASN 104 -15.988 4.152 4.378 803 HB2 ASN 104 2HB ASN 104 -13.568 5.617 5.436 804 HB3 ASN 104 1HB ASN 104 -13.473 4.256 4.321 805 HD21 ASN 104 1HD2 ASN 104 -14.818 4.517 2.310 806 HD22 ASN 104 2HD2 ASN 104 -14.834 6.080 1.574 807 H ILE 105 H ILE 105 -14.900 4.759 7.640 808 HA ILE 105 HA ILE 105 -13.927 2.149 8.153 809 HB ILE 105 HB ILE 105 -14.887 4.316 9.962 810 HG12 ILE 105 2HG1 ILE 105 -12.103 3.311 9.402 811 HG13 ILE 105 1HG1 ILE 105 -12.837 4.704 8.609 812 HG21 ILE 105 1HG2 ILE 105 -13.622 3.006 11.729 813 HG22 ILE 105 2HG2 ILE 105 -13.739 1.637 10.621 814 HG23 ILE 105 3HG2 ILE 105 -15.205 2.395 11.245 815 HD11 ILE 105 1HD1 ILE 105 -13.050 5.830 10.706 816 HD12 ILE 105 2HD1 ILE 105 -11.377 5.333 10.444 817 HD13 ILE 105 3HD1 ILE 105 -12.407 4.426 11.556 818 H ALA 106 H ALA 106 -17.023 3.721 8.264 819 HA ALA 106 HA ALA 106 -18.519 1.984 9.806 820 HB1 ALA 106 1HB ALA 106 -19.386 4.096 8.939 821 HB2 ALA 106 2HB ALA 106 -20.455 2.759 8.512 822 HB3 ALA 106 3HB ALA 106 -19.368 3.439 7.301 823 H MET 107 H MET 107 -17.375 1.728 6.508 824 HA MET 107 HA MET 107 -18.833 -0.689 5.961 825 HB2 MET 107 2HB MET 107 -17.695 1.085 4.290 826 HB3 MET 107 1HB MET 107 -16.363 -0.054 4.420 827 HG2 MET 107 2HG MET 107 -17.917 -1.865 3.761 828 HG3 MET 107 1HG MET 107 -19.152 -0.637 3.471 829 HE1 MET 107 1HE MET 107 -17.675 -2.907 1.431 830 HE2 MET 107 2HE MET 107 -17.805 -1.982 -0.063 831 HE3 MET 107 3HE MET 107 -19.160 -2.035 1.065 832 H LYS 108 H LYS 108 -15.487 0.189 6.760 833 HA LYS 108 HA LYS 108 -14.178 -2.195 6.708 834 HB2 LYS 108 2HB LYS 108 -13.304 0.116 7.328 835 HB3 LYS 108 1HB LYS 108 -13.854 -0.222 8.964 836 HG2 LYS 108 2HG LYS 108 -12.392 -2.442 8.406 837 HG3 LYS 108 1HG LYS 108 -11.511 -1.197 7.519 838 HD2 LYS 108 2HD LYS 108 -11.947 0.081 9.870 839 HD3 LYS 108 1HD LYS 108 -11.819 -1.588 10.425 840 HE2 LYS 108 2HE LYS 108 -9.739 -1.413 8.675 841 HE3 LYS 108 1HE LYS 108 -9.783 0.212 9.348 842 HZ1 LYS 108 1HZ LYS 108 -8.335 -1.364 10.571 843 HZ2 LYS 108 2HZ LYS 108 -9.710 -2.247 11.010 844 HZ3 LYS 108 3HZ LYS 108 -9.528 -0.644 11.539 845 H LYS 109 H LYS 109 -16.224 -0.990 9.319 846 HA LYS 109 HA LYS 109 -15.776 -3.090 11.173 847 HB2 LYS 109 2HB LYS 109 -18.465 -1.775 10.905 848 HB3 LYS 109 1HB LYS 109 -17.660 -2.337 12.360 849 HG2 LYS 109 2HG LYS 109 -16.710 -0.008 10.739 850 HG3 LYS 109 1HG LYS 109 -17.831 0.132 12.096 851 HD2 LYS 109 2HD LYS 109 -15.899 -1.328 13.256 852 HD3 LYS 109 1HD LYS 109 -14.930 -0.438 12.074 853 HE2 LYS 109 2HE LYS 109 -15.983 1.672 12.896 854 HE3 LYS 109 1HE LYS 109 -16.777 0.732 14.158 855 HZ1 LYS 109 1HZ LYS 109 -14.602 1.932 14.703 856 HZ2 LYS 109 2HZ LYS 109 -13.840 0.679 13.853 857 HZ3 LYS 109 3HZ LYS 109 -14.775 0.327 15.225 858 H ARG 110 H ARG 110 -18.416 -2.601 8.882 859 HA ARG 110 HA ARG 110 -19.599 -5.125 9.255 860 HB2 ARG 110 2HB ARG 110 -20.535 -3.036 8.059 861 HB3 ARG 110 1HB ARG 110 -19.620 -3.573 6.665 862 HG2 ARG 110 2HG ARG 110 -20.855 -5.788 6.916 863 HG3 ARG 110 1HG ARG 110 -21.940 -4.915 7.998 864 HD2 ARG 110 2HD ARG 110 -21.315 -3.898 5.252 865 HD3 ARG 110 1HD ARG 110 -22.574 -5.100 5.518 866 HE ARG 110 HE ARG 110 -23.498 -3.348 7.139 867 HH11 ARG 110 1HH1 ARG 110 -21.714 -2.583 4.226 868 HH12 ARG 110 2HH1 ARG 110 -22.570 -1.090 3.949 869 HH21 ARG 110 1HH2 ARG 110 -24.618 -1.399 6.776 870 HH22 ARG 110 2HH2 ARG 110 -24.227 -0.421 5.392 871 H LEU 111 H LEU 111 -17.219 -3.882 7.052 872 HA LEU 111 HA LEU 111 -16.824 -6.014 5.368 873 HB2 LEU 111 2HB LEU 111 -15.302 -3.662 6.266 874 HB3 LEU 111 1HB LEU 111 -14.368 -4.900 5.471 875 HG LEU 111 HG LEU 111 -16.875 -3.913 4.297 876 HD11 LEU 111 1HD1 LEU 111 -14.153 -2.679 3.950 877 HD12 LEU 111 2HD1 LEU 111 -15.545 -1.918 4.728 878 HD13 LEU 111 3HD1 LEU 111 -15.580 -2.267 3.000 879 HD21 LEU 111 1HD2 LEU 111 -14.421 -5.067 3.081 880 HD22 LEU 111 2HD2 LEU 111 -15.829 -4.487 2.191 881 HD23 LEU 111 3HD2 LEU 111 -15.983 -5.862 3.287 882 H ALA 112 H ALA 112 -15.252 -5.445 8.542 883 HA ALA 112 HA ALA 112 -13.514 -7.669 8.148 884 HB1 ALA 112 1HB ALA 112 -12.946 -5.871 9.696 885 HB2 ALA 112 2HB ALA 112 -12.970 -7.433 10.523 886 HB3 ALA 112 3HB ALA 112 -14.316 -6.307 10.719 887 H ASN 113 H ASN 113 -16.791 -7.355 9.063 888 HA ASN 113 HA ASN 113 -16.778 -10.089 10.074 889 HB2 ASN 113 2HB ASN 113 -18.475 -9.509 11.404 890 HB3 ASN 113 1HB ASN 113 -18.167 -7.848 10.917 891 HD21 ASN 113 1HD2 ASN 113 -19.622 -6.808 9.650 892 HD22 ASN 113 2HD2 ASN 113 -21.139 -7.486 9.154 893 H GLU 114 H GLU 114 -17.647 -8.172 7.355 894 HA GLU 114 HA GLU 114 -19.362 -10.035 6.048 895 HB2 GLU 114 2HB GLU 114 -17.861 -7.585 5.167 896 HB3 GLU 114 1HB GLU 114 -18.671 -8.612 3.988 897 HG2 GLU 114 2HG GLU 114 -20.779 -8.290 5.250 898 HG3 GLU 114 1HG GLU 114 -19.935 -7.143 6.288 899 H ALA 115 H ALA 115 -15.929 -9.084 5.652 900 HA ALA 115 HA ALA 115 -15.387 -11.182 3.758 901 HB1 ALA 115 1HB ALA 115 -13.019 -10.703 4.191 902 HB2 ALA 115 2HB ALA 115 -13.475 -9.702 5.569 903 HB3 ALA 115 3HB ALA 115 -13.939 -9.220 3.938 904 H LYS 116 H LYS 116 -16.258 -11.296 6.857 905 HA LYS 116 HA LYS 116 -14.748 -13.678 7.613 906 HB2 LYS 116 2HB LYS 116 -14.739 -12.076 9.329 907 HB3 LYS 116 1HB LYS 116 -16.420 -11.649 9.067 908 HG2 LYS 116 2HG LYS 116 -17.098 -13.098 10.589 909 HG3 LYS 116 1HG LYS 116 -16.154 -14.405 9.864 910 HD2 LYS 116 2HD LYS 116 -14.133 -13.426 10.982 911 HD3 LYS 116 1HD LYS 116 -15.220 -12.331 11.836 912 HE2 LYS 116 2HE LYS 116 -15.330 -15.338 11.945 913 HE3 LYS 116 1HE LYS 116 -14.622 -14.301 13.182 914 HZ1 LYS 116 1HZ LYS 116 -17.460 -14.602 12.428 915 HZ2 LYS 116 2HZ LYS 116 -16.925 -13.212 13.234 916 HZ3 LYS 116 3HZ LYS 116 -16.747 -14.730 13.961 917 H GLU 117 H GLU 117 -17.864 -12.541 6.585 918 HA GLU 117 HA GLU 117 -19.449 -14.751 7.376 919 HB2 GLU 117 2HB GLU 117 -19.881 -12.981 4.956 920 HB3 GLU 117 1HB GLU 117 -21.094 -13.946 5.784 921 HG2 GLU 117 2HG GLU 117 -20.717 -12.506 7.801 922 HG3 GLU 117 1HG GLU 117 -19.710 -11.474 6.784 923 H ALA 118 H ALA 118 -17.620 -13.963 4.484 924 HA ALA 118 HA ALA 118 -17.486 -16.781 3.773 925 HB1 ALA 118 1HB ALA 118 -18.121 -16.382 1.447 926 HB2 ALA 118 2HB ALA 118 -18.462 -14.690 1.819 927 HB3 ALA 118 3HB ALA 118 -19.442 -15.971 2.538 928 H LYS 119 H LYS 119 -15.554 -17.298 2.779 929 HA LYS 119 HA LYS 119 -13.573 -15.207 2.798 930 HB2 LYS 119 2HB LYS 119 -13.123 -18.091 2.057 931 HB3 LYS 119 1HB LYS 119 -11.925 -16.931 2.608 932 HG2 LYS 119 2HG LYS 119 -14.156 -18.115 4.251 933 HG3 LYS 119 1HG LYS 119 -12.437 -18.492 4.380 934 HD2 LYS 119 2HD LYS 119 -11.936 -16.314 5.193 935 HD3 LYS 119 1HD LYS 119 -13.548 -15.722 4.789 936 HE2 LYS 119 2HE LYS 119 -13.490 -16.060 7.143 937 HE3 LYS 119 1HE LYS 119 -14.469 -17.352 6.453 938 HZ1 LYS 119 1HZ LYS 119 -11.680 -18.029 6.683 939 HZ2 LYS 119 2HZ LYS 119 -13.054 -18.897 7.175 940 HZ3 LYS 119 3HZ LYS 119 -12.415 -17.693 8.175 941 H LYS 120 H LYS 120 -15.704 -16.357 0.707 942 HA LYS 120 HA LYS 120 -15.188 -14.834 -1.467 943 HB2 LYS 120 2HB LYS 120 -13.056 -16.261 -1.621 944 HB3 LYS 120 1HB LYS 120 -14.108 -17.583 -2.105 945 HG2 LYS 120 2HG LYS 120 -14.907 -16.241 -3.998 946 HG3 LYS 120 1HG LYS 120 -13.812 -14.947 -3.525 947 HD2 LYS 120 2HD LYS 120 -11.900 -16.379 -3.895 948 HD3 LYS 120 1HD LYS 120 -12.964 -17.739 -4.267 949 HE2 LYS 120 2HE LYS 120 -12.261 -16.894 -6.354 950 HE3 LYS 120 1HE LYS 120 -13.912 -16.314 -6.127 951 HZ1 LYS 120 1HZ LYS 120 -13.187 -14.160 -5.710 952 HZ2 LYS 120 2HZ LYS 120 -12.159 -14.673 -6.956 953 HZ3 LYS 120 3HZ LYS 120 -11.601 -14.644 -5.356 Start of MODEL 18 1 H MET 1 1HT MET 1 -17.889 20.924 2.235 2 HA MET 1 HA MET 1 -16.248 21.850 3.687 3 HB2 MET 1 2HB MET 1 -18.077 20.752 5.729 4 HB3 MET 1 1HB MET 1 -16.368 20.506 6.054 5 HG2 MET 1 2HG MET 1 -16.085 22.988 5.648 6 HG3 MET 1 1HG MET 1 -17.844 23.091 5.721 7 HE1 MET 1 1HE MET 1 -16.771 24.565 9.175 8 HE2 MET 1 2HE MET 1 -17.687 24.836 7.691 9 HE3 MET 1 3HE MET 1 -15.925 24.756 7.640 10 H VAL 2 H VAL 2 -14.896 20.664 2.371 11 HA VAL 2 HA VAL 2 -14.525 17.849 3.167 12 HB VAL 2 HB VAL 2 -13.459 17.612 0.822 13 HG11 VAL 2 1HG1 VAL 2 -16.448 17.814 1.185 14 HG12 VAL 2 2HG1 VAL 2 -15.442 16.406 1.531 15 HG13 VAL 2 3HG1 VAL 2 -15.637 16.964 -0.131 16 HG21 VAL 2 1HG2 VAL 2 -14.553 18.990 -0.912 17 HG22 VAL 2 2HG2 VAL 2 -13.519 19.943 0.153 18 HG23 VAL 2 3HG2 VAL 2 -15.271 19.982 0.359 19 H ASP 3 H ASP 3 -12.847 17.773 4.407 20 HA ASP 3 HA ASP 3 -10.360 19.068 3.511 21 HB2 ASP 3 2HB ASP 3 -11.653 20.055 5.621 22 HB3 ASP 3 1HB ASP 3 -10.868 18.710 6.440 23 H LEU 4 H LEU 4 -11.801 16.390 3.566 24 HA LEU 4 HA LEU 4 -10.132 14.646 5.101 25 HB2 LEU 4 2HB LEU 4 -11.306 12.847 3.804 26 HB3 LEU 4 1HB LEU 4 -12.357 13.918 4.711 27 HG LEU 4 HG LEU 4 -12.052 14.975 2.082 28 HD11 LEU 4 1HD1 LEU 4 -13.060 13.120 0.808 29 HD12 LEU 4 2HD1 LEU 4 -12.806 12.066 2.200 30 HD13 LEU 4 3HD1 LEU 4 -11.423 12.768 1.363 31 HD21 LEU 4 1HD2 LEU 4 -14.381 13.689 3.498 32 HD22 LEU 4 2HD2 LEU 4 -14.488 14.661 2.031 33 HD23 LEU 4 3HD2 LEU 4 -13.945 15.397 3.539 34 H GLU 5 H GLU 5 -9.795 16.230 2.137 35 HA GLU 5 HA GLU 5 -8.236 14.303 0.741 36 HB2 GLU 5 2HB GLU 5 -8.598 17.275 0.449 37 HB3 GLU 5 1HB GLU 5 -7.518 16.356 -0.594 38 HG2 GLU 5 2HG GLU 5 -10.217 15.255 -0.320 39 HG3 GLU 5 1HG GLU 5 -10.121 16.827 -1.113 40 H GLN 6 H GLN 6 -7.635 15.992 3.495 41 HA GLN 6 HA GLN 6 -4.762 16.272 3.026 42 HB2 GLN 6 2HB GLN 6 -6.180 18.098 4.149 43 HB3 GLN 6 1HB GLN 6 -6.247 17.026 5.542 44 HG2 GLN 6 2HG GLN 6 -3.774 17.032 5.612 45 HG3 GLN 6 1HG GLN 6 -3.772 18.203 4.294 46 HE21 GLN 6 1HE2 GLN 6 -6.066 18.144 6.959 47 HE22 GLN 6 2HE2 GLN 6 -5.542 19.633 7.663 48 H GLU 7 H GLU 7 -6.977 14.029 4.126 49 HA GLU 7 HA GLU 7 -5.337 12.907 6.238 50 HB2 GLU 7 2HB GLU 7 -7.611 11.423 4.976 51 HB3 GLU 7 1HB GLU 7 -7.062 11.400 6.647 52 HG2 GLU 7 2HG GLU 7 -7.802 13.956 6.462 53 HG3 GLU 7 1HG GLU 7 -8.885 13.250 5.265 54 H PHE 8 H PHE 8 -5.286 12.868 2.927 55 HA PHE 8 HA PHE 8 -4.018 10.223 2.816 56 HB2 PHE 8 2HB PHE 8 -4.779 11.600 0.296 57 HB3 PHE 8 1HB PHE 8 -4.769 9.884 0.662 58 HD1 PHE 8 1HD PHE 8 -6.725 12.729 0.113 59 HD2 PHE 8 2HD PHE 8 -6.683 9.041 2.220 60 HE1 PHE 8 1HE PHE 8 -9.176 12.790 0.251 61 HE2 PHE 8 2HE PHE 8 -9.132 9.101 2.371 62 HZ PHE 8 HZ PHE 8 -10.377 10.980 1.387 63 H ALA 9 H ALA 9 -2.325 11.681 3.814 64 HA ALA 9 HA ALA 9 -0.662 12.623 1.691 65 HB1 ALA 9 1HB ALA 9 -2.015 14.587 2.246 66 HB2 ALA 9 2HB ALA 9 -0.322 14.829 2.674 67 HB3 ALA 9 3HB ALA 9 -1.503 14.461 3.930 68 H LEU 10 H LEU 10 0.951 14.069 3.492 69 HA LEU 10 HA LEU 10 2.787 12.059 4.146 70 HB2 LEU 10 2HB LEU 10 2.531 14.957 4.744 71 HB3 LEU 10 1HB LEU 10 3.769 14.016 5.559 72 HG LEU 10 HG LEU 10 4.151 13.289 2.952 73 HD11 LEU 10 1HD1 LEU 10 2.495 14.944 2.205 74 HD12 LEU 10 2HD1 LEU 10 4.115 15.283 1.593 75 HD13 LEU 10 3HD1 LEU 10 3.465 16.219 2.940 76 HD21 LEU 10 1HD2 LEU 10 6.089 14.796 3.006 77 HD22 LEU 10 2HD2 LEU 10 5.910 13.884 4.505 78 HD23 LEU 10 3HD2 LEU 10 5.425 15.579 4.441 79 H GLY 11 H GLY 11 2.418 10.540 5.620 80 HA2 GLY 11 2HA GLY 11 2.097 9.590 7.687 81 HA3 GLY 11 1HA GLY 11 2.354 11.188 8.380 82 H GLY 12 H GLY 12 -0.080 10.616 6.011 83 HA2 GLY 12 2HA GLY 12 -2.116 11.546 7.827 84 HA3 GLY 12 1HA GLY 12 -2.327 11.147 6.127 85 H ARG 13 H ARG 13 -3.903 10.464 8.523 86 HA ARG 13 HA ARG 13 -3.579 7.617 8.822 87 HB2 ARG 13 2HB ARG 13 -5.518 7.755 10.296 88 HB3 ARG 13 1HB ARG 13 -4.357 9.016 10.705 89 HG2 ARG 13 2HG ARG 13 -5.714 10.620 9.412 90 HG3 ARG 13 1HG ARG 13 -6.894 9.342 9.124 91 HD2 ARG 13 2HD ARG 13 -7.739 10.563 10.951 92 HD3 ARG 13 1HD ARG 13 -7.032 9.108 11.648 93 HE ARG 13 HE ARG 13 -5.013 10.650 12.037 94 HH11 ARG 13 1HH1 ARG 13 -8.338 11.684 12.066 95 HH12 ARG 13 2HH1 ARG 13 -8.086 12.930 13.253 96 HH21 ARG 13 1HH2 ARG 13 -4.637 12.326 13.572 97 HH22 ARG 13 2HH2 ARG 13 -5.969 13.320 14.076 98 H CYS 14 H CYS 14 -4.229 6.297 7.276 99 HA CYS 14 HA CYS 14 -6.748 6.894 5.927 100 HB2 CYS 14 2HB CYS 14 -4.075 6.582 4.683 101 HB3 CYS 14 1HB CYS 14 -5.463 5.891 3.841 102 HG CYS 14 HG CYS 14 -5.126 9.178 4.749 103 H LEU 15 H LEU 15 -7.664 5.200 4.796 104 HA LEU 15 HA LEU 15 -7.097 2.551 5.933 105 HB2 LEU 15 2HB LEU 15 -9.608 3.747 4.751 106 HB3 LEU 15 1HB LEU 15 -9.437 2.051 5.160 107 HG LEU 15 HG LEU 15 -8.989 4.131 7.268 108 HD11 LEU 15 1HD1 LEU 15 -11.353 4.013 7.849 109 HD12 LEU 15 2HD1 LEU 15 -11.663 3.012 6.433 110 HD13 LEU 15 3HD1 LEU 15 -11.141 4.684 6.233 111 HD21 LEU 15 1HD2 LEU 15 -9.797 2.303 8.710 112 HD22 LEU 15 2HD2 LEU 15 -8.386 1.829 7.761 113 HD23 LEU 15 3HD2 LEU 15 -9.994 1.287 7.284 114 H ALA 16 H ALA 16 -7.009 0.791 4.391 115 HA ALA 16 HA ALA 16 -7.001 1.635 1.604 116 HB1 ALA 16 1HB ALA 16 -4.598 0.324 2.874 117 HB2 ALA 16 2HB ALA 16 -4.699 1.992 2.305 118 HB3 ALA 16 3HB ALA 16 -4.808 0.658 1.156 119 H PHE 17 H PHE 17 -7.414 0.017 0.181 120 HA PHE 17 HA PHE 17 -8.745 -2.228 1.381 121 HB2 PHE 17 2HB PHE 17 -8.615 -1.047 -1.348 122 HB3 PHE 17 1HB PHE 17 -9.105 -2.731 -1.191 123 HD1 PHE 17 1HD PHE 17 -10.129 -1.331 1.763 124 HD2 PHE 17 2HD PHE 17 -11.055 -1.259 -2.388 125 HE1 PHE 17 1HE PHE 17 -12.430 -0.636 2.287 126 HE2 PHE 17 2HE PHE 17 -13.354 -0.559 -1.871 127 HZ PHE 17 HZ PHE 17 -14.046 -0.245 0.470 128 H HIS 18 H HIS 18 -7.433 -3.736 2.117 129 HA HIS 18 HA HIS 18 -5.309 -4.796 0.414 130 HB2 HIS 18 2HB HIS 18 -4.991 -4.524 2.934 131 HB3 HIS 18 1HB HIS 18 -6.198 -5.787 3.142 132 HD2 HIS 18 2HD HIS 18 -2.846 -5.597 1.042 133 HE1 HIS 18 1HE HIS 18 -3.174 -9.339 2.991 134 HE2 HIS 18 2HE HIS 18 -1.727 -7.901 1.479 135 H GLY 19 H GLY 19 -6.325 -5.800 -1.219 136 HA2 GLY 19 2HA GLY 19 -7.493 -7.500 -2.265 137 HA3 GLY 19 1HA GLY 19 -7.841 -8.179 -0.671 138 HA PRO 20 HA PRO 20 -11.788 -6.167 -1.350 139 HB2 PRO 20 2HB PRO 20 -13.215 -7.856 0.188 140 HB3 PRO 20 1HB PRO 20 -12.628 -8.291 -1.419 141 HG2 PRO 20 2HG PRO 20 -11.774 -9.297 1.180 142 HG3 PRO 20 1HG PRO 20 -11.410 -9.929 -0.432 143 HD2 PRO 20 2HD PRO 20 -9.785 -8.208 1.294 144 HD3 PRO 20 1HD PRO 20 -9.309 -9.113 -0.157 145 H LEU 21 H LEU 21 -10.006 -6.157 1.585 146 HA LEU 21 HA LEU 21 -12.232 -4.686 2.828 147 HB2 LEU 21 2HB LEU 21 -10.386 -6.681 4.015 148 HB3 LEU 21 1HB LEU 21 -11.043 -5.407 5.028 149 HG LEU 21 HG LEU 21 -12.472 -7.646 3.663 150 HD11 LEU 21 1HD1 LEU 21 -12.643 -6.411 6.400 151 HD12 LEU 21 2HD1 LEU 21 -11.817 -7.913 5.986 152 HD13 LEU 21 3HD1 LEU 21 -13.572 -7.801 5.840 153 HD21 LEU 21 1HD2 LEU 21 -13.746 -5.083 4.594 154 HD22 LEU 21 2HD2 LEU 21 -14.592 -6.524 4.033 155 HD23 LEU 21 3HD2 LEU 21 -13.588 -5.599 2.915 156 H MET 22 H MET 22 -11.717 -3.265 4.531 157 HA MET 22 HA MET 22 -9.605 -1.426 3.794 158 HB2 MET 22 2HB MET 22 -12.269 -1.167 4.639 159 HB3 MET 22 1HB MET 22 -11.312 -0.607 6.002 160 HG2 MET 22 2HG MET 22 -10.204 1.021 4.617 161 HG3 MET 22 1HG MET 22 -11.016 0.399 3.179 162 HE1 MET 22 1HE MET 22 -13.952 -0.181 4.310 163 HE2 MET 22 2HE MET 22 -13.614 0.580 2.756 164 HE3 MET 22 3HE MET 22 -14.747 1.333 3.878 165 H TYR 23 H TYR 23 -7.813 -1.158 4.952 166 HA TYR 23 HA TYR 23 -7.783 -2.094 7.746 167 HB2 TYR 23 2HB TYR 23 -5.762 -2.575 5.564 168 HB3 TYR 23 1HB TYR 23 -5.289 -2.605 7.259 169 HD1 TYR 23 1HD TYR 23 -6.977 -4.378 4.582 170 HD2 TYR 23 2HD TYR 23 -6.233 -4.324 8.767 171 HE1 TYR 23 1HE TYR 23 -7.699 -6.725 4.733 172 HE2 TYR 23 2HE TYR 23 -6.944 -6.668 8.934 173 HH TYR 23 HH TYR 23 -8.227 -8.297 7.761 174 H GLU 24 H GLU 24 -6.355 -0.949 9.150 175 HA GLU 24 HA GLU 24 -6.121 1.850 8.499 176 HB2 GLU 24 2HB GLU 24 -6.791 0.888 10.763 177 HB3 GLU 24 1HB GLU 24 -5.103 0.453 10.975 178 HG2 GLU 24 2HG GLU 24 -4.483 2.824 10.763 179 HG3 GLU 24 1HG GLU 24 -6.188 3.236 10.611 180 H ALA 25 H ALA 25 -4.348 2.852 7.757 181 HA ALA 25 HA ALA 25 -1.726 1.709 8.290 182 HB1 ALA 25 1HB ALA 25 -1.066 1.666 5.961 183 HB2 ALA 25 2HB ALA 25 -2.681 2.184 5.472 184 HB3 ALA 25 3HB ALA 25 -2.449 0.604 6.225 185 H LYS 26 H LYS 26 -0.002 3.166 7.923 186 HA LYS 26 HA LYS 26 -0.889 5.973 7.853 187 HB2 LYS 26 2HB LYS 26 0.431 5.080 9.846 188 HB3 LYS 26 1HB LYS 26 1.809 4.971 8.758 189 HG2 LYS 26 2HG LYS 26 1.452 7.427 8.275 190 HG3 LYS 26 1HG LYS 26 0.327 7.430 9.631 191 HD2 LYS 26 2HD LYS 26 2.162 6.546 11.068 192 HD3 LYS 26 1HD LYS 26 3.264 6.757 9.703 193 HE2 LYS 26 2HE LYS 26 3.586 8.730 10.841 194 HE3 LYS 26 1HE LYS 26 2.328 9.193 9.696 195 HZ1 LYS 26 1HZ LYS 26 1.484 10.011 11.656 196 HZ2 LYS 26 2HZ LYS 26 2.134 8.758 12.599 197 HZ3 LYS 26 3HZ LYS 26 0.763 8.474 11.640 198 H ILE 27 H ILE 27 -0.412 7.183 6.168 199 HA ILE 27 HA ILE 27 1.039 6.062 3.959 200 HB ILE 27 HB ILE 27 0.215 8.943 4.157 201 HG12 ILE 27 2HG1 ILE 27 -1.574 6.681 3.268 202 HG13 ILE 27 1HG1 ILE 27 -1.680 7.447 4.848 203 HG21 ILE 27 1HG2 ILE 27 1.579 8.272 2.250 204 HG22 ILE 27 2HG2 ILE 27 -0.053 8.699 1.737 205 HG23 ILE 27 3HG2 ILE 27 0.420 7.004 1.855 206 HD11 ILE 27 1HD1 ILE 27 -2.040 8.848 2.220 207 HD12 ILE 27 2HD1 ILE 27 -2.229 9.555 3.825 208 HD13 ILE 27 3HD1 ILE 27 -3.339 8.298 3.278 209 H LEU 28 H LEU 28 3.058 5.936 3.877 210 HA LEU 28 HA LEU 28 4.735 7.853 5.266 211 HB2 LEU 28 2HB LEU 28 5.077 5.447 5.593 212 HB3 LEU 28 1HB LEU 28 5.400 5.269 3.876 213 HG LEU 28 HG LEU 28 7.294 6.860 4.170 214 HD11 LEU 28 1HD1 LEU 28 8.196 7.125 6.442 215 HD12 LEU 28 2HD1 LEU 28 6.755 6.338 7.086 216 HD13 LEU 28 3HD1 LEU 28 6.618 7.889 6.255 217 HD21 LEU 28 1HD2 LEU 28 7.393 4.262 5.687 218 HD22 LEU 28 2HD2 LEU 28 8.797 5.162 5.112 219 HD23 LEU 28 3HD2 LEU 28 7.659 4.473 3.955 220 H LYS 29 H LYS 29 3.879 6.849 2.018 221 HA LYS 29 HA LYS 29 5.589 9.024 1.025 222 HB2 LYS 29 2HB LYS 29 5.292 6.385 -0.421 223 HB3 LYS 29 1HB LYS 29 6.304 7.745 -0.886 224 HG2 LYS 29 2HG LYS 29 7.705 7.394 1.059 225 HG3 LYS 29 1HG LYS 29 6.675 6.061 1.578 226 HD2 LYS 29 2HD LYS 29 7.209 4.912 -0.574 227 HD3 LYS 29 1HD LYS 29 8.367 6.203 -0.914 228 HE2 LYS 29 2HE LYS 29 9.696 5.634 0.943 229 HE3 LYS 29 1HE LYS 29 8.452 4.581 1.611 230 HZ1 LYS 29 1HZ LYS 29 10.073 4.106 -0.835 231 HZ2 LYS 29 2HZ LYS 29 8.764 3.140 -0.372 232 HZ3 LYS 29 3HZ LYS 29 10.130 3.230 0.623 233 H ILE 30 H ILE 30 4.557 10.378 -0.214 234 HA ILE 30 HA ILE 30 1.878 9.721 -1.207 235 HB ILE 30 HB ILE 30 3.249 12.413 -1.378 236 HG12 ILE 30 2HG1 ILE 30 3.286 11.943 0.941 237 HG13 ILE 30 1HG1 ILE 30 1.873 12.963 0.682 238 HG21 ILE 30 1HG2 ILE 30 1.317 12.155 -2.798 239 HG22 ILE 30 2HG2 ILE 30 0.960 13.272 -1.478 240 HG23 ILE 30 3HG2 ILE 30 0.351 11.615 -1.426 241 HD11 ILE 30 1HD1 ILE 30 1.901 9.983 1.038 242 HD12 ILE 30 2HD1 ILE 30 0.466 10.945 0.684 243 HD13 ILE 30 3HD1 ILE 30 1.341 11.186 2.197 244 H TRP 31 H TRP 31 1.340 9.975 -3.470 245 HA TRP 31 HA TRP 31 3.751 10.042 -5.165 246 HB2 TRP 31 2HB TRP 31 3.049 7.780 -5.054 247 HB3 TRP 31 1HB TRP 31 1.368 8.222 -5.377 248 HD1 TRP 31 HD TRP 31 0.683 8.504 -7.888 249 HE1 TRP 31 1HE TRP 31 1.929 8.213 -10.136 250 HE3 TRP 31 3HE TRP 31 5.363 8.189 -6.039 251 HZ2 TRP 31 2HZ TRP 31 4.623 7.891 -10.954 252 HZ3 TRP 31 3HZ TRP 31 7.240 7.900 -7.598 253 HH2 TRP 31 HH TRP 31 6.863 7.750 -9.989 254 H ASP 32 H ASP 32 3.742 11.433 -6.755 255 HA ASP 32 HA ASP 32 1.200 12.628 -7.648 256 HB2 ASP 32 2HB ASP 32 2.618 14.361 -6.835 257 HB3 ASP 32 1HB ASP 32 4.026 13.688 -7.654 258 HA PRO 33 HA PRO 33 2.170 10.311 -11.373 259 HB2 PRO 33 2HB PRO 33 -0.464 10.878 -12.320 260 HB3 PRO 33 1HB PRO 33 0.132 9.376 -11.612 261 HG2 PRO 33 2HG PRO 33 -1.743 11.054 -10.457 262 HG3 PRO 33 1HG PRO 33 -0.783 9.842 -9.590 263 HD2 PRO 33 2HD PRO 33 -0.392 12.793 -9.787 264 HD3 PRO 33 1HD PRO 33 -0.095 11.700 -8.415 265 H SER 34 H SER 34 1.618 13.565 -10.982 266 HA SER 34 HA SER 34 1.243 14.315 -13.731 267 HB2 SER 34 2HB SER 34 2.250 16.178 -11.595 268 HB3 SER 34 1HB SER 34 1.232 16.541 -12.988 269 HG SER 34 HG SER 34 0.564 15.457 -10.499 270 H SER 35 H SER 35 3.982 13.874 -11.606 271 HA SER 35 HA SER 35 5.746 14.570 -13.862 272 HB2 SER 35 2HB SER 35 6.565 14.822 -10.974 273 HB3 SER 35 1HB SER 35 7.312 15.547 -12.400 274 HG SER 35 HG SER 35 4.938 16.269 -11.064 275 H LYS 36 H LYS 36 4.985 12.428 -11.264 276 HA LYS 36 HA LYS 36 5.222 10.192 -11.176 277 HB2 LYS 36 2HB LYS 36 5.895 10.279 -13.673 278 HB3 LYS 36 1HB LYS 36 7.543 10.131 -13.057 279 HG2 LYS 36 2HG LYS 36 7.016 8.100 -11.945 280 HG3 LYS 36 1HG LYS 36 5.306 8.280 -12.328 281 HD2 LYS 36 2HD LYS 36 5.826 8.045 -14.720 282 HD3 LYS 36 1HD LYS 36 7.537 7.846 -14.325 283 HE2 LYS 36 2HE LYS 36 7.175 5.783 -13.278 284 HE3 LYS 36 1HE LYS 36 5.446 6.069 -13.122 285 HZ1 LYS 36 1HZ LYS 36 5.270 5.891 -15.559 286 HZ2 LYS 36 2HZ LYS 36 5.835 4.463 -14.840 287 HZ3 LYS 36 3HZ LYS 36 6.922 5.498 -15.637 288 H MET 37 H MET 37 6.173 12.032 -9.589 289 HA MET 37 HA MET 37 8.531 10.833 -8.437 290 HB2 MET 37 2HB MET 37 8.935 13.061 -7.388 291 HB3 MET 37 1HB MET 37 9.013 13.139 -9.143 292 HG2 MET 37 2HG MET 37 6.502 13.810 -8.935 293 HG3 MET 37 1HG MET 37 6.959 14.233 -7.286 294 HE1 MET 37 1HE MET 37 6.861 17.763 -8.868 295 HE2 MET 37 2HE MET 37 6.322 16.724 -7.550 296 HE3 MET 37 3HE MET 37 5.754 16.431 -9.195 297 H TYR 38 H TYR 38 8.328 11.521 -5.945 298 HA TYR 38 HA TYR 38 5.593 11.259 -5.062 299 HB2 TYR 38 2HB TYR 38 5.978 9.218 -3.796 300 HB3 TYR 38 1HB TYR 38 6.260 8.933 -5.506 301 HD1 TYR 38 1HD TYR 38 7.632 8.837 -2.209 302 HD2 TYR 38 2HD TYR 38 8.635 8.743 -6.333 303 HE1 TYR 38 1HE TYR 38 9.812 7.882 -1.644 304 HE2 TYR 38 2HE TYR 38 10.830 7.787 -5.785 305 HH TYR 38 HH TYR 38 11.541 6.401 -2.885 306 H THR 39 H THR 39 5.535 11.457 -2.616 307 HA THR 39 HA THR 39 7.997 12.755 -1.658 308 HB THR 39 HB THR 39 6.847 14.467 -0.591 309 HG1 THR 39 1HG THR 39 5.003 12.906 -0.032 310 HG21 THR 39 1HG2 THR 39 5.546 15.552 -2.357 311 HG22 THR 39 2HG2 THR 39 5.465 14.016 -3.223 312 HG23 THR 39 3HG2 THR 39 7.021 14.811 -2.978 313 H SER 40 H SER 40 8.856 11.546 -0.236 314 HA SER 40 HA SER 40 7.238 9.797 1.453 315 HB2 SER 40 2HB SER 40 9.101 8.845 0.106 316 HB3 SER 40 1HB SER 40 10.232 9.848 1.010 317 HG SER 40 HG SER 40 9.602 8.722 2.899 318 H ILE 41 H ILE 41 8.124 9.460 3.720 319 HA ILE 41 HA ILE 41 9.153 11.989 4.848 320 HB ILE 41 HB ILE 41 7.546 10.226 6.614 321 HG12 ILE 41 2HG1 ILE 41 6.010 12.122 4.894 322 HG13 ILE 41 1HG1 ILE 41 6.366 10.508 4.282 323 HG21 ILE 41 1HG2 ILE 41 6.758 12.395 7.479 324 HG22 ILE 41 2HG2 ILE 41 7.674 13.211 6.214 325 HG23 ILE 41 3HG2 ILE 41 8.518 12.289 7.456 326 HD11 ILE 41 1HD1 ILE 41 4.175 10.647 5.342 327 HD12 ILE 41 2HD1 ILE 41 4.944 11.121 6.856 328 HD13 ILE 41 3HD1 ILE 41 5.242 9.519 6.178 329 HA PRO 42 HA PRO 42 12.330 9.294 6.459 330 HB2 PRO 42 2HB PRO 42 13.495 11.022 8.170 331 HB3 PRO 42 1HB PRO 42 13.668 11.180 6.419 332 HG2 PRO 42 2HG PRO 42 11.823 12.647 8.273 333 HG3 PRO 42 1HG PRO 42 12.811 13.286 6.945 334 HD2 PRO 42 2HD PRO 42 10.161 12.769 6.690 335 HD3 PRO 42 1HD PRO 42 11.303 12.620 5.341 336 H ASN 43 H ASN 43 13.258 8.815 8.740 337 HA ASN 43 HA ASN 43 13.043 8.516 11.033 338 HB2 ASN 43 2HB ASN 43 11.270 10.080 11.410 339 HB3 ASN 43 1HB ASN 43 10.101 9.026 10.620 340 HD21 ASN 43 1HD2 ASN 43 12.144 9.428 13.427 341 HD22 ASN 43 2HD2 ASN 43 11.252 8.367 14.469 342 H ASP 44 H ASP 44 10.241 7.068 9.312 343 HA ASP 44 HA ASP 44 10.642 4.594 10.701 344 HB2 ASP 44 2HB ASP 44 8.474 5.636 9.481 345 HB3 ASP 44 1HB ASP 44 9.035 4.559 8.206 346 H LYS 45 H LYS 45 11.499 5.841 7.539 347 HA LYS 45 HA LYS 45 12.686 3.289 6.802 348 HB2 LYS 45 2HB LYS 45 13.124 4.345 4.613 349 HB3 LYS 45 1HB LYS 45 11.427 4.408 5.056 350 HG2 LYS 45 2HG LYS 45 11.469 6.699 5.394 351 HG3 LYS 45 1HG LYS 45 13.218 6.731 5.624 352 HD2 LYS 45 2HD LYS 45 11.808 6.175 3.013 353 HD3 LYS 45 1HD LYS 45 12.568 7.703 3.468 354 HE2 LYS 45 2HE LYS 45 14.732 6.658 3.550 355 HE3 LYS 45 1HE LYS 45 14.022 5.064 3.299 356 HZ1 LYS 45 1HZ LYS 45 15.064 6.161 1.296 357 HZ2 LYS 45 2HZ LYS 45 13.751 7.240 1.304 358 HZ3 LYS 45 3HZ LYS 45 13.484 5.583 1.090 359 HA PRO 46 HA PRO 46 16.560 4.833 8.439 360 HB2 PRO 46 2HB PRO 46 17.626 2.222 7.706 361 HB3 PRO 46 1HB PRO 46 17.383 2.909 9.312 362 HG2 PRO 46 2HG PRO 46 15.910 0.837 8.373 363 HG3 PRO 46 1HG PRO 46 15.272 2.036 9.513 364 HD2 PRO 46 2HD PRO 46 14.898 1.861 6.547 365 HD3 PRO 46 1HD PRO 46 13.699 2.226 7.806 366 H GLY 47 H GLY 47 17.356 6.269 6.997 367 HA2 GLY 47 2HA GLY 47 19.366 5.508 5.214 368 HA3 GLY 47 1HA GLY 47 17.892 5.759 4.284 369 H GLY 48 H GLY 48 20.492 7.235 4.472 370 HA2 GLY 48 2HA GLY 48 20.120 9.660 3.712 371 HA3 GLY 48 1HA GLY 48 19.475 9.856 5.335 372 H SER 49 H SER 49 22.266 9.764 3.397 373 HA SER 49 HA SER 49 24.140 9.323 5.515 374 HB2 SER 49 2HB SER 49 24.798 10.590 2.871 375 HB3 SER 49 1HB SER 49 25.816 9.565 3.885 376 HG SER 49 HG SER 49 23.753 8.082 3.383 377 H SER 50 H SER 50 23.193 10.892 6.948 378 HA SER 50 HA SER 50 23.386 12.747 8.201 379 HB2 SER 50 2HB SER 50 25.848 12.551 7.210 380 HB3 SER 50 1HB SER 50 25.382 14.065 6.434 381 HG SER 50 HG SER 50 25.483 13.464 9.204 382 H GLN 51 H GLN 51 23.866 13.980 4.860 383 HA GLN 51 HA GLN 51 21.765 15.961 5.453 384 HB2 GLN 51 2HB GLN 51 23.531 16.220 3.062 385 HB3 GLN 51 1HB GLN 51 22.835 17.473 4.079 386 HG2 GLN 51 2HG GLN 51 24.442 16.905 5.846 387 HG3 GLN 51 1HG GLN 51 25.155 15.689 4.785 388 HE21 GLN 51 1HE2 GLN 51 24.810 17.375 2.402 389 HE22 GLN 51 2HE2 GLN 51 26.026 18.600 2.513 390 H ALA 52 H ALA 52 21.389 13.137 4.515 391 HA ALA 52 HA ALA 52 19.926 13.766 2.038 392 HB1 ALA 52 1HB ALA 52 21.280 11.155 2.701 393 HB2 ALA 52 2HB ALA 52 21.876 12.366 1.565 394 HB3 ALA 52 3HB ALA 52 20.366 11.515 1.236 395 H THR 53 H THR 53 17.967 12.725 1.715 396 HA THR 53 HA THR 53 15.941 11.891 2.240 397 HB THR 53 HB THR 53 17.099 10.262 4.477 398 HG1 THR 53 1HG THR 53 17.536 10.003 1.671 399 HG21 THR 53 1HG2 THR 53 14.689 10.102 3.995 400 HG22 THR 53 2HG2 THR 53 15.531 8.590 3.649 401 HG23 THR 53 3HG2 THR 53 15.065 9.662 2.329 402 H LYS 54 H LYS 54 17.585 13.810 4.375 403 HA LYS 54 HA LYS 54 15.631 13.818 6.489 404 HB2 LYS 54 2HB LYS 54 16.925 15.666 7.414 405 HB3 LYS 54 1HB LYS 54 17.997 14.366 6.923 406 HG2 LYS 54 2HG LYS 54 19.190 15.972 5.946 407 HG3 LYS 54 1HG LYS 54 17.952 15.929 4.692 408 HD2 LYS 54 2HD LYS 54 18.438 18.222 5.513 409 HD3 LYS 54 1HD LYS 54 16.754 17.738 5.726 410 HE2 LYS 54 2HE LYS 54 17.192 17.218 8.069 411 HE3 LYS 54 1HE LYS 54 18.884 17.669 7.867 412 HZ1 LYS 54 1HZ LYS 54 16.660 19.555 7.341 413 HZ2 LYS 54 2HZ LYS 54 18.300 19.914 7.558 414 HZ3 LYS 54 3HZ LYS 54 17.365 19.388 8.875 415 H GLU 55 H GLU 55 16.172 15.384 3.500 416 HA GLU 55 HA GLU 55 13.779 17.052 3.863 417 HB2 GLU 55 2HB GLU 55 16.350 17.959 3.318 418 HB3 GLU 55 1HB GLU 55 15.589 17.904 1.733 419 HG2 GLU 55 2HG GLU 55 14.522 19.357 4.142 420 HG3 GLU 55 1HG GLU 55 15.362 20.096 2.780 421 H ILE 56 H ILE 56 12.283 15.791 2.958 422 HA ILE 56 HA ILE 56 12.899 14.257 0.581 423 HB ILE 56 HB ILE 56 10.267 14.399 2.021 424 HG12 ILE 56 2HG1 ILE 56 12.194 13.615 3.463 425 HG13 ILE 56 1HG1 ILE 56 10.917 12.428 3.233 426 HG21 ILE 56 1HG2 ILE 56 11.433 12.424 0.052 427 HG22 ILE 56 2HG2 ILE 56 10.168 13.607 -0.286 428 HG23 ILE 56 3HG2 ILE 56 9.859 12.286 0.839 429 HD11 ILE 56 1HD1 ILE 56 13.589 12.484 1.847 430 HD12 ILE 56 2HD1 ILE 56 12.293 11.341 1.497 431 HD13 ILE 56 3HD1 ILE 56 13.056 11.346 3.087 432 H LYS 57 H LYS 57 13.157 15.728 -0.981 433 HA LYS 57 HA LYS 57 10.972 17.493 -1.712 434 HB2 LYS 57 2HB LYS 57 13.248 16.929 -3.568 435 HB3 LYS 57 1HB LYS 57 12.454 18.458 -3.212 436 HG2 LYS 57 2HG LYS 57 13.720 18.805 -1.283 437 HG3 LYS 57 1HG LYS 57 14.198 17.109 -1.179 438 HD2 LYS 57 2HD LYS 57 15.374 17.509 -3.425 439 HD3 LYS 57 1HD LYS 57 15.175 19.226 -3.070 440 HE2 LYS 57 2HE LYS 57 16.403 18.956 -0.990 441 HE3 LYS 57 1HE LYS 57 16.552 17.225 -1.284 442 HZ1 LYS 57 1HZ LYS 57 18.402 17.628 -2.403 443 HZ2 LYS 57 2HZ LYS 57 18.223 19.300 -2.178 444 HZ3 LYS 57 3HZ LYS 57 17.536 18.548 -3.534 445 HA PRO 58 HA PRO 58 8.875 14.545 -4.288 446 HB2 PRO 58 2HB PRO 58 9.081 16.480 -6.547 447 HB3 PRO 58 1HB PRO 58 7.655 15.675 -5.881 448 HG2 PRO 58 2HG PRO 58 8.118 18.249 -5.377 449 HG3 PRO 58 1HG PRO 58 7.468 17.178 -4.120 450 HD2 PRO 58 2HD PRO 58 10.243 18.227 -4.472 451 HD3 PRO 58 1HD PRO 58 9.319 17.954 -2.980 452 H GLN 59 H GLN 59 10.139 12.855 -4.765 453 HA GLN 59 HA GLN 59 12.297 13.204 -6.747 454 HB2 GLN 59 2HB GLN 59 12.040 11.291 -4.425 455 HB3 GLN 59 1HB GLN 59 13.261 11.119 -5.678 456 HG2 GLN 59 2HG GLN 59 14.487 12.874 -4.920 457 HG3 GLN 59 1HG GLN 59 13.077 13.734 -4.295 458 HE21 GLN 59 1HE2 GLN 59 12.313 13.264 -2.252 459 HE22 GLN 59 2HE2 GLN 59 13.240 12.364 -1.100 460 H LYS 60 H LYS 60 12.322 11.908 -8.502 461 HA LYS 60 HA LYS 60 9.976 10.423 -9.111 462 HB2 LYS 60 2HB LYS 60 12.488 11.055 -10.637 463 HB3 LYS 60 1HB LYS 60 11.252 9.973 -11.278 464 HG2 LYS 60 2HG LYS 60 9.640 11.682 -11.342 465 HG3 LYS 60 1HG LYS 60 10.605 12.742 -10.320 466 HD2 LYS 60 2HD LYS 60 12.305 12.777 -12.200 467 HD3 LYS 60 1HD LYS 60 11.071 11.998 -13.195 468 HE2 LYS 60 2HE LYS 60 9.537 13.861 -12.730 469 HE3 LYS 60 1HE LYS 60 10.791 14.641 -11.771 470 HZ1 LYS 60 1HZ LYS 60 10.514 14.433 -14.658 471 HZ2 LYS 60 2HZ LYS 60 12.091 14.291 -14.050 472 HZ3 LYS 60 3HZ LYS 60 11.180 15.679 -13.712 473 H LEU 61 H LEU 61 9.673 8.354 -9.135 474 HA LEU 61 HA LEU 61 10.721 6.581 -7.452 475 HB2 LEU 61 2HB LEU 61 9.658 6.110 -10.202 476 HB3 LEU 61 1HB LEU 61 10.073 4.776 -9.126 477 HG LEU 61 HG LEU 61 7.944 6.884 -8.740 478 HD11 LEU 61 1HD1 LEU 61 7.850 3.882 -9.038 479 HD12 LEU 61 2HD1 LEU 61 7.352 5.073 -10.239 480 HD13 LEU 61 3HD1 LEU 61 6.466 4.927 -8.722 481 HD21 LEU 61 1HD2 LEU 61 7.453 5.855 -6.613 482 HD22 LEU 61 2HD2 LEU 61 9.107 6.462 -6.624 483 HD23 LEU 61 3HD2 LEU 61 8.800 4.735 -6.806 484 H GLY 62 H GLY 62 12.714 5.967 -7.039 485 HA2 GLY 62 2HA GLY 62 14.352 5.054 -9.308 486 HA3 GLY 62 1HA GLY 62 15.035 6.031 -8.021 487 H GLU 63 H GLU 63 15.386 3.231 -9.127 488 HA GLU 63 HA GLU 63 16.325 1.353 -8.352 489 HB2 GLU 63 2HB GLU 63 16.086 2.712 -5.688 490 HB3 GLU 63 1HB GLU 63 16.814 1.124 -5.892 491 HG2 GLU 63 2HG GLU 63 17.741 3.729 -7.066 492 HG3 GLU 63 1HG GLU 63 18.561 2.735 -5.859 493 H ASP 64 H ASP 64 14.105 1.790 -5.583 494 HA ASP 64 HA ASP 64 12.894 -0.795 -6.368 495 HB2 ASP 64 2HB ASP 64 14.326 -0.124 -3.881 496 HB3 ASP 64 1HB ASP 64 12.770 -0.902 -3.637 497 H GLU 65 H GLU 65 12.109 2.057 -6.491 498 HA GLU 65 HA GLU 65 9.817 2.097 -4.680 499 HB2 GLU 65 2HB GLU 65 11.273 4.153 -6.307 500 HB3 GLU 65 1HB GLU 65 9.752 4.520 -5.480 501 HG2 GLU 65 2HG GLU 65 12.184 3.435 -4.086 502 HG3 GLU 65 1HG GLU 65 11.903 5.157 -4.310 503 H SER 66 H SER 66 10.467 0.965 -7.619 504 HA SER 66 HA SER 66 8.820 1.915 -9.541 505 HB2 SER 66 2HB SER 66 9.031 -1.049 -9.036 506 HB3 SER 66 1HB SER 66 9.011 -0.190 -10.579 507 HG SER 66 HG SER 66 11.126 -1.010 -9.655 508 H ILE 67 H ILE 67 6.739 2.271 -9.764 509 HA ILE 67 HA ILE 67 4.809 0.940 -7.982 510 HB ILE 67 HB ILE 67 4.663 3.551 -9.501 511 HG12 ILE 67 2HG1 ILE 67 4.611 2.927 -6.550 512 HG13 ILE 67 1HG1 ILE 67 5.977 3.588 -7.444 513 HG21 ILE 67 1HG2 ILE 67 2.479 2.472 -9.570 514 HG22 ILE 67 2HG2 ILE 67 2.463 3.908 -8.545 515 HG23 ILE 67 3HG2 ILE 67 2.506 2.301 -7.816 516 HD11 ILE 67 1HD1 ILE 67 3.318 4.927 -7.067 517 HD12 ILE 67 2HD1 ILE 67 4.696 5.583 -7.950 518 HD13 ILE 67 3HD1 ILE 67 4.812 5.310 -6.212 519 HA PRO 68 HA PRO 68 3.083 -1.315 -11.474 520 HB2 PRO 68 2HB PRO 68 0.507 -0.711 -10.098 521 HB3 PRO 68 1HB PRO 68 1.134 -2.258 -10.675 522 HG2 PRO 68 2HG PRO 68 1.144 -1.673 -8.077 523 HG3 PRO 68 1HG PRO 68 2.498 -2.548 -8.815 524 HD2 PRO 68 2HD PRO 68 2.318 0.302 -7.959 525 HD3 PRO 68 1HD PRO 68 3.706 -0.806 -7.916 526 H GLU 69 H GLU 69 2.745 -0.395 -13.436 527 HA GLU 69 HA GLU 69 2.076 2.317 -13.758 528 HB2 GLU 69 2HB GLU 69 2.143 0.055 -15.749 529 HB3 GLU 69 1HB GLU 69 1.877 1.734 -16.198 530 HG2 GLU 69 2HG GLU 69 4.320 0.697 -14.777 531 HG3 GLU 69 1HG GLU 69 4.206 0.999 -16.508 532 H GLU 70 H GLU 70 -0.004 -0.105 -12.914 533 HA GLU 70 HA GLU 70 -2.255 0.925 -14.443 534 HB2 GLU 70 2HB GLU 70 -3.542 -0.838 -13.152 535 HB3 GLU 70 1HB GLU 70 -2.299 -1.428 -14.243 536 HG2 GLU 70 2HG GLU 70 -1.351 -0.969 -11.521 537 HG3 GLU 70 1HG GLU 70 -2.621 -2.185 -11.646 538 H ILE 71 H ILE 71 -0.722 1.551 -11.472 539 HA ILE 71 HA ILE 71 -3.158 2.912 -10.509 540 HB ILE 71 HB ILE 71 -2.546 2.527 -8.232 541 HG12 ILE 71 2HG1 ILE 71 -0.048 1.124 -9.201 542 HG13 ILE 71 1HG1 ILE 71 -0.065 2.778 -8.596 543 HG21 ILE 71 1HG2 ILE 71 -2.172 -0.006 -9.823 544 HG22 ILE 71 2HG2 ILE 71 -3.711 0.680 -9.299 545 HG23 ILE 71 3HG2 ILE 71 -2.562 0.069 -8.107 546 HD11 ILE 71 1HD1 ILE 71 -0.847 1.963 -6.427 547 HD12 ILE 71 2HD1 ILE 71 0.683 1.223 -6.896 548 HD13 ILE 71 3HD1 ILE 71 -0.819 0.312 -7.045 549 H ILE 72 H ILE 72 0.088 3.153 -11.398 550 HA ILE 72 HA ILE 72 1.171 5.243 -9.971 551 HB ILE 72 HB ILE 72 2.283 3.813 -11.610 552 HG12 ILE 72 2HG1 ILE 72 3.090 6.162 -10.760 553 HG13 ILE 72 1HG1 ILE 72 4.010 5.286 -11.977 554 HG21 ILE 72 1HG2 ILE 72 2.309 4.423 -13.983 555 HG22 ILE 72 2HG2 ILE 72 1.038 5.604 -13.665 556 HG23 ILE 72 3HG2 ILE 72 0.724 3.885 -13.431 557 HD11 ILE 72 1HD1 ILE 72 2.976 6.638 -13.726 558 HD12 ILE 72 2HD1 ILE 72 3.810 7.639 -12.536 559 HD13 ILE 72 3HD1 ILE 72 2.051 7.511 -12.504 560 H ASN 73 H ASN 73 -1.090 5.496 -12.708 561 HA ASN 73 HA ASN 73 -0.742 8.378 -12.720 562 HB2 ASN 73 2HB ASN 73 -2.753 6.836 -14.337 563 HB3 ASN 73 1HB ASN 73 -2.088 8.432 -14.666 564 HD21 ASN 73 1HD2 ASN 73 0.045 8.598 -15.437 565 HD22 ASN 73 2HD2 ASN 73 0.833 7.252 -16.192 566 H GLY 74 H GLY 74 -2.181 6.612 -10.555 567 HA2 GLY 74 2HA GLY 74 -4.626 8.330 -10.530 568 HA3 GLY 74 1HA GLY 74 -4.616 6.680 -9.937 569 H LYS 75 H LYS 75 -2.022 8.962 -9.282 570 HA LYS 75 HA LYS 75 -1.157 9.741 -7.336 571 HB2 LYS 75 2HB LYS 75 -3.130 11.185 -7.375 572 HB3 LYS 75 1HB LYS 75 -4.059 9.960 -6.527 573 HG2 LYS 75 2HG LYS 75 -3.172 10.484 -4.528 574 HG3 LYS 75 1HG LYS 75 -1.574 10.797 -5.205 575 HD2 LYS 75 2HD LYS 75 -1.958 12.997 -5.335 576 HD3 LYS 75 1HD LYS 75 -3.549 12.751 -6.060 577 HE2 LYS 75 2HE LYS 75 -4.518 12.359 -3.881 578 HE3 LYS 75 1HE LYS 75 -2.932 12.480 -3.124 579 HZ1 LYS 75 1HZ LYS 75 -4.467 14.512 -3.069 580 HZ2 LYS 75 2HZ LYS 75 -4.022 14.729 -4.694 581 HZ3 LYS 75 3HZ LYS 75 -2.840 14.747 -3.478 582 H CYS 76 H CYS 76 -0.021 8.396 -6.158 583 HA CYS 76 HA CYS 76 -1.479 6.136 -4.937 584 HB2 CYS 76 2HB CYS 76 1.471 6.202 -5.589 585 HB3 CYS 76 1HB CYS 76 0.526 4.817 -5.051 586 HG CYS 76 HG CYS 76 -0.994 5.795 -7.700 587 H PHE 77 H PHE 77 -0.522 5.254 -2.983 588 HA PHE 77 HA PHE 77 0.906 7.175 -1.319 589 HB2 PHE 77 2HB PHE 77 -1.745 5.905 -0.614 590 HB3 PHE 77 1HB PHE 77 -0.711 6.753 0.533 591 HD1 PHE 77 1HD PHE 77 -3.360 7.070 -1.767 592 HD2 PHE 77 2HD PHE 77 -0.068 9.185 -0.105 593 HE1 PHE 77 1HE PHE 77 -4.400 9.197 -2.429 594 HE2 PHE 77 2HE PHE 77 -1.107 11.317 -0.760 595 HZ PHE 77 HZ PHE 77 -3.273 11.326 -1.929 596 H PHE 78 H PHE 78 2.608 6.106 -0.668 597 HA PHE 78 HA PHE 78 2.545 3.211 -0.428 598 HB2 PHE 78 2HB PHE 78 4.526 4.439 -1.372 599 HB3 PHE 78 1HB PHE 78 4.806 5.111 0.227 600 HD1 PHE 78 1HD PHE 78 4.762 2.005 -1.744 601 HD2 PHE 78 2HD PHE 78 5.911 3.860 1.904 602 HE1 PHE 78 1HE PHE 78 6.138 0.043 -1.191 603 HE2 PHE 78 2HE PHE 78 7.293 1.906 2.468 604 HZ PHE 78 HZ PHE 78 7.403 -0.007 0.919 605 H ILE 79 H ILE 79 1.325 2.671 1.268 606 HA ILE 79 HA ILE 79 1.734 4.037 3.831 607 HB ILE 79 HB ILE 79 -0.212 3.041 4.640 608 HG12 ILE 79 2HG1 ILE 79 0.564 0.903 2.895 609 HG13 ILE 79 1HG1 ILE 79 -0.537 0.869 4.268 610 HG21 ILE 79 1HG2 ILE 79 -1.945 3.503 2.952 611 HG22 ILE 79 2HG2 ILE 79 -0.683 3.649 1.731 612 HG23 ILE 79 3HG2 ILE 79 -0.742 4.786 3.079 613 HD11 ILE 79 1HD1 ILE 79 -1.534 0.045 2.185 614 HD12 ILE 79 2HD1 ILE 79 -1.293 1.637 1.462 615 HD13 ILE 79 3HD1 ILE 79 -2.382 1.446 2.837 616 H HIS 80 H HIS 80 1.815 2.872 5.654 617 HA HIS 80 HA HIS 80 3.298 0.365 5.451 618 HB2 HIS 80 2HB HIS 80 4.834 1.978 6.188 619 HB3 HIS 80 1HB HIS 80 3.622 2.840 7.123 620 HD1 HIS 80 1HD HIS 80 6.121 0.119 7.351 621 HD2 HIS 80 2HD HIS 80 3.048 1.749 9.588 622 HE1 HIS 80 1HE HIS 80 6.489 -0.747 9.694 623 HE2 HIS 80 2HE HIS 80 4.474 0.081 10.986 624 H TYR 81 H TYR 81 1.720 -1.041 5.764 625 HA TYR 81 HA TYR 81 -0.704 -0.736 7.012 626 HB2 TYR 81 2HB TYR 81 0.996 -3.128 6.429 627 HB3 TYR 81 1HB TYR 81 -0.471 -3.324 7.382 628 HD1 TYR 81 1HD TYR 81 0.893 -2.744 4.073 629 HD2 TYR 81 2HD TYR 81 -2.666 -2.753 6.394 630 HE1 TYR 81 1HE TYR 81 -0.441 -2.801 2.010 631 HE2 TYR 81 2HE TYR 81 -4.014 -2.811 4.337 632 HH TYR 81 HH TYR 81 -3.823 -2.264 1.989 633 H GLN 82 H GLN 82 -1.232 -0.233 8.990 634 HA GLN 82 HA GLN 82 0.550 -0.416 11.192 635 HB2 GLN 82 2HB GLN 82 -2.080 0.640 10.703 636 HB3 GLN 82 1HB GLN 82 -2.072 -0.270 12.207 637 HG2 GLN 82 2HG GLN 82 -1.540 1.872 12.879 638 HG3 GLN 82 1HG GLN 82 0.036 1.085 12.770 639 HE21 GLN 82 1HE2 GLN 82 -2.189 3.233 11.190 640 HE22 GLN 82 2HE2 GLN 82 -1.020 4.043 10.211 641 H GLY 83 H GLY 83 1.079 -2.151 12.304 642 HA2 GLY 83 2HA GLY 83 0.232 -3.901 13.788 643 HA3 GLY 83 1HA GLY 83 -0.935 -4.287 12.532 644 H TRP 84 H TRP 84 1.353 -3.733 10.579 645 HA TRP 84 HA TRP 84 2.626 -6.382 10.809 646 HB2 TRP 84 2HB TRP 84 1.915 -4.772 8.340 647 HB3 TRP 84 1HB TRP 84 2.860 -6.253 8.312 648 HD1 TRP 84 HD TRP 84 -0.584 -5.099 7.895 649 HE1 TRP 84 1HE TRP 84 -2.252 -7.059 8.066 650 HE3 TRP 84 3HE TRP 84 2.517 -8.647 9.899 651 HZ2 TRP 84 2HZ TRP 84 -2.251 -9.725 8.942 652 HZ3 TRP 84 3HZ TRP 84 1.598 -10.877 10.375 653 HH2 TRP 84 HH TRP 84 -0.739 -11.405 9.905 654 H LYS 85 H LYS 85 4.642 -6.029 8.906 655 HA LYS 85 HA LYS 85 6.232 -3.924 10.211 656 HB2 LYS 85 2HB LYS 85 8.229 -5.204 9.472 657 HB3 LYS 85 1HB LYS 85 7.212 -6.074 10.606 658 HG2 LYS 85 2HG LYS 85 6.322 -7.443 8.847 659 HG3 LYS 85 1HG LYS 85 7.166 -6.486 7.626 660 HD2 LYS 85 2HD LYS 85 8.282 -8.652 8.193 661 HD3 LYS 85 1HD LYS 85 9.297 -7.223 8.412 662 HE2 LYS 85 2HE LYS 85 8.784 -7.257 10.814 663 HE3 LYS 85 1HE LYS 85 7.829 -8.717 10.584 664 HZ1 LYS 85 1HZ LYS 85 9.741 -9.937 10.001 665 HZ2 LYS 85 2HZ LYS 85 10.171 -9.047 11.379 666 HZ3 LYS 85 3HZ LYS 85 10.694 -8.540 9.850 667 H SER 86 H SER 86 8.159 -3.286 8.650 668 HA SER 86 HA SER 86 7.059 -1.723 6.627 669 HB2 SER 86 2HB SER 86 9.933 -2.403 6.413 670 HB3 SER 86 1HB SER 86 9.143 -0.825 6.488 671 HG SER 86 HG SER 86 9.840 -0.829 8.479 672 H SER 87 H SER 87 7.940 -5.032 6.532 673 HA SER 87 HA SER 87 8.510 -5.171 3.732 674 HB2 SER 87 2HB SER 87 7.685 -7.428 5.564 675 HB3 SER 87 1HB SER 87 8.590 -7.551 4.054 676 HG SER 87 HG SER 87 10.204 -6.184 5.157 677 H TRP 88 H TRP 88 5.710 -4.716 5.481 678 HA TRP 88 HA TRP 88 3.989 -5.999 3.479 679 HB2 TRP 88 2HB TRP 88 3.631 -5.125 6.309 680 HB3 TRP 88 1HB TRP 88 2.226 -5.076 5.253 681 HD1 TRP 88 HD TRP 88 4.700 -7.576 6.817 682 HE1 TRP 88 1HE TRP 88 3.620 -9.918 6.759 683 HE3 TRP 88 3HE TRP 88 0.531 -6.484 4.064 684 HZ2 TRP 88 2HZ TRP 88 1.322 -11.134 5.677 685 HZ3 TRP 88 3HZ TRP 88 -1.055 -8.296 3.562 686 HH2 TRP 88 HH TRP 88 -0.666 -10.569 4.352 687 H ASP 89 H ASP 89 5.491 -3.138 4.008 688 HA ASP 89 HA ASP 89 3.461 -1.223 3.547 689 HB2 ASP 89 2HB ASP 89 6.438 -1.078 2.997 690 HB3 ASP 89 1HB ASP 89 5.343 0.299 2.964 691 H GLU 90 H GLU 90 2.487 -0.591 1.703 692 HA GLU 90 HA GLU 90 3.659 -1.351 -0.866 693 HB2 GLU 90 2HB GLU 90 1.160 -2.444 0.291 694 HB3 GLU 90 1HB GLU 90 1.095 -1.979 -1.404 695 HG2 GLU 90 2HG GLU 90 3.474 -3.488 -0.885 696 HG3 GLU 90 1HG GLU 90 2.058 -4.362 -0.308 697 H TRP 91 H TRP 91 2.329 -0.462 -2.709 698 HA TRP 91 HA TRP 91 1.662 2.326 -2.137 699 HB2 TRP 91 2HB TRP 91 2.204 0.768 -4.657 700 HB3 TRP 91 1HB TRP 91 1.526 2.386 -4.707 701 HD1 TRP 91 HD TRP 91 4.777 0.545 -4.458 702 HE1 TRP 91 1HE TRP 91 6.713 2.233 -4.331 703 HE3 TRP 91 3HE TRP 91 2.096 4.821 -3.598 704 HZ2 TRP 91 2HZ TRP 91 7.057 4.993 -3.936 705 HZ3 TRP 91 3HZ TRP 91 3.328 6.944 -3.354 706 HH2 TRP 91 HH TRP 91 5.752 7.021 -3.514 707 H VAL 92 H VAL 92 -0.438 2.812 -1.775 708 HA VAL 92 HA VAL 92 -2.452 1.236 -3.229 709 HB VAL 92 HB VAL 92 -4.106 2.030 -1.536 710 HG11 VAL 92 1HG1 VAL 92 -1.784 0.406 -0.513 711 HG12 VAL 92 2HG1 VAL 92 -3.179 -0.201 -1.407 712 HG13 VAL 92 3HG1 VAL 92 -3.388 0.462 0.216 713 HG21 VAL 92 1HG2 VAL 92 -1.635 2.970 -0.091 714 HG22 VAL 92 2HG2 VAL 92 -3.246 2.852 0.619 715 HG23 VAL 92 3HG2 VAL 92 -2.943 3.980 -0.704 716 H GLY 93 H GLY 93 -4.093 2.319 -4.331 717 HA2 GLY 93 2HA GLY 93 -3.453 5.148 -4.853 718 HA3 GLY 93 1HA GLY 93 -4.270 4.072 -5.983 719 H TYR 94 H TYR 94 -5.346 6.488 -5.494 720 HA TYR 94 HA TYR 94 -7.167 6.947 -3.495 721 HB2 TYR 94 2HB TYR 94 -6.763 7.791 -6.245 722 HB3 TYR 94 1HB TYR 94 -8.459 7.826 -5.777 723 HD1 TYR 94 1HD TYR 94 -7.596 10.315 -6.438 724 HD2 TYR 94 2HD TYR 94 -6.800 8.239 -2.821 725 HE1 TYR 94 1HE TYR 94 -7.245 12.446 -5.308 726 HE2 TYR 94 2HE TYR 94 -6.447 10.359 -1.665 727 HH TYR 94 HH TYR 94 -7.482 13.197 -2.649 728 H ASP 95 H ASP 95 -7.231 4.372 -5.445 729 HA ASP 95 HA ASP 95 -10.139 4.080 -5.587 730 HB2 ASP 95 2HB ASP 95 -9.175 3.595 -7.685 731 HB3 ASP 95 1HB ASP 95 -7.854 2.682 -6.968 732 H ARG 96 H ARG 96 -7.361 2.973 -3.891 733 HA ARG 96 HA ARG 96 -8.972 0.841 -2.640 734 HB2 ARG 96 2HB ARG 96 -5.966 1.068 -2.891 735 HB3 ARG 96 1HB ARG 96 -6.804 -0.186 -1.987 736 HG2 ARG 96 2HG ARG 96 -7.129 0.276 -4.946 737 HG3 ARG 96 1HG ARG 96 -6.028 -0.903 -4.228 738 HD2 ARG 96 2HD ARG 96 -7.689 -2.343 -3.754 739 HD3 ARG 96 1HD ARG 96 -8.779 -1.058 -3.236 740 HE ARG 96 HE ARG 96 -8.904 -0.647 -5.818 741 HH11 ARG 96 1HH1 ARG 96 -8.811 -3.758 -4.176 742 HH12 ARG 96 2HH1 ARG 96 -9.732 -4.567 -5.408 743 HH21 ARG 96 1HH2 ARG 96 -10.114 -1.702 -7.407 744 HH22 ARG 96 2HH2 ARG 96 -10.453 -3.400 -7.255 745 H ILE 97 H ILE 97 -7.040 3.675 -2.197 746 HA ILE 97 HA ILE 97 -7.047 3.407 0.685 747 HB ILE 97 HB ILE 97 -5.045 4.299 -0.415 748 HG12 ILE 97 2HG1 ILE 97 -6.494 6.336 1.254 749 HG13 ILE 97 1HG1 ILE 97 -5.568 4.968 1.868 750 HG21 ILE 97 1HG2 ILE 97 -6.118 5.431 -2.276 751 HG22 ILE 97 2HG2 ILE 97 -5.054 6.519 -1.383 752 HG23 ILE 97 3HG2 ILE 97 -6.801 6.614 -1.162 753 HD11 ILE 97 1HD1 ILE 97 -4.492 7.282 0.291 754 HD12 ILE 97 2HD1 ILE 97 -3.550 5.908 0.863 755 HD13 ILE 97 3HD1 ILE 97 -4.291 7.013 2.020 756 H ARG 98 H ARG 98 -8.187 4.597 2.077 757 HA ARG 98 HA ARG 98 -10.144 6.535 1.041 758 HB2 ARG 98 2HB ARG 98 -10.701 4.359 3.065 759 HB3 ARG 98 1HB ARG 98 -11.836 5.602 2.563 760 HG2 ARG 98 2HG ARG 98 -10.687 3.438 0.813 761 HG3 ARG 98 1HG ARG 98 -12.321 3.483 1.479 762 HD2 ARG 98 2HD ARG 98 -12.286 5.863 0.256 763 HD3 ARG 98 1HD ARG 98 -11.139 5.007 -0.769 764 HE ARG 98 HE ARG 98 -13.683 3.698 -0.243 765 HH11 ARG 98 1HH1 ARG 98 -11.670 5.508 -2.450 766 HH12 ARG 98 2HH1 ARG 98 -12.696 5.229 -3.819 767 HH21 ARG 98 1HH2 ARG 98 -15.026 3.306 -2.056 768 HH22 ARG 98 2HH2 ARG 98 -14.603 3.979 -3.600 769 H ALA 99 H ALA 99 -11.177 7.663 3.092 770 HA ALA 99 HA ALA 99 -8.947 8.701 4.596 771 HB1 ALA 99 1HB ALA 99 -10.473 10.334 3.621 772 HB2 ALA 99 2HB ALA 99 -10.573 10.388 5.381 773 HB3 ALA 99 3HB ALA 99 -11.838 9.585 4.449 774 H TYR 100 H TYR 100 -8.528 7.895 6.484 775 HA TYR 100 HA TYR 100 -10.231 5.952 7.663 776 HB2 TYR 100 2HB TYR 100 -7.912 5.635 7.848 777 HB3 TYR 100 1HB TYR 100 -7.651 7.287 8.374 778 HD1 TYR 100 1HD TYR 100 -9.179 4.050 9.426 779 HD2 TYR 100 2HD TYR 100 -7.439 7.721 10.690 780 HE1 TYR 100 1HE TYR 100 -9.150 3.234 11.740 781 HE2 TYR 100 2HE TYR 100 -7.410 6.912 13.009 782 HH TYR 100 HH TYR 100 -7.843 3.679 13.817 783 H ASN 101 H ASN 101 -12.113 6.813 8.208 784 HA ASN 101 HA ASN 101 -12.305 8.259 10.643 785 HB2 ASN 101 2HB ASN 101 -13.614 10.164 9.767 786 HB3 ASN 101 1HB ASN 101 -11.955 10.179 9.190 787 HD21 ASN 101 1HD2 ASN 101 -11.947 11.039 7.255 788 HD22 ASN 101 2HD2 ASN 101 -13.026 10.627 5.965 789 H GLU 102 H GLU 102 -14.853 8.843 10.832 790 HA GLU 102 HA GLU 102 -16.096 6.350 11.036 791 HB2 GLU 102 2HB GLU 102 -17.446 9.043 11.100 792 HB3 GLU 102 1HB GLU 102 -18.032 7.550 11.817 793 HG2 GLU 102 2HG GLU 102 -15.579 9.080 12.651 794 HG3 GLU 102 1HG GLU 102 -17.118 9.020 13.511 795 H GLU 103 H GLU 103 -15.749 8.098 8.177 796 HA GLU 103 HA GLU 103 -18.374 7.449 7.154 797 HB2 GLU 103 2HB GLU 103 -17.194 9.471 6.366 798 HB3 GLU 103 1HB GLU 103 -15.980 8.446 5.608 799 HG2 GLU 103 2HG GLU 103 -18.069 7.366 4.448 800 HG3 GLU 103 1HG GLU 103 -18.818 8.908 4.841 801 H ASN 104 H ASN 104 -15.065 6.401 6.264 802 HA ASN 104 HA ASN 104 -16.219 4.292 4.647 803 HB2 ASN 104 2HB ASN 104 -13.662 5.606 4.763 804 HB3 ASN 104 1HB ASN 104 -13.460 3.853 4.786 805 HD21 ASN 104 1HD2 ASN 104 -14.743 6.549 3.054 806 HD22 ASN 104 2HD2 ASN 104 -14.905 5.756 1.526 807 H ILE 105 H ILE 105 -14.784 4.658 7.763 808 HA ILE 105 HA ILE 105 -14.163 1.948 8.247 809 HB ILE 105 HB ILE 105 -14.972 4.093 10.164 810 HG12 ILE 105 2HG1 ILE 105 -12.278 3.152 9.180 811 HG13 ILE 105 1HG1 ILE 105 -13.024 4.724 8.884 812 HG21 ILE 105 1HG2 ILE 105 -13.811 2.717 11.843 813 HG22 ILE 105 2HG2 ILE 105 -13.617 1.452 10.630 814 HG23 ILE 105 3HG2 ILE 105 -15.230 1.915 11.172 815 HD11 ILE 105 1HD1 ILE 105 -12.916 5.225 11.243 816 HD12 ILE 105 2HD1 ILE 105 -11.320 4.844 10.588 817 HD13 ILE 105 3HD1 ILE 105 -12.191 3.648 11.549 818 H ALA 106 H ALA 106 -17.053 3.838 8.234 819 HA ALA 106 HA ALA 106 -18.744 2.214 9.766 820 HB1 ALA 106 1HB ALA 106 -20.576 3.309 8.516 821 HB2 ALA 106 2HB ALA 106 -19.380 4.009 7.425 822 HB3 ALA 106 3HB ALA 106 -19.391 4.458 9.130 823 H MET 107 H MET 107 -17.584 2.057 6.484 824 HA MET 107 HA MET 107 -19.303 -0.165 5.788 825 HB2 MET 107 2HB MET 107 -18.279 1.550 4.114 826 HB3 MET 107 1HB MET 107 -16.817 0.586 4.265 827 HG2 MET 107 2HG MET 107 -18.365 0.086 2.331 828 HG3 MET 107 1HG MET 107 -17.782 -1.268 3.296 829 HE1 MET 107 1HE MET 107 -20.027 -2.056 1.493 830 HE2 MET 107 2HE MET 107 -21.174 -2.809 2.601 831 HE3 MET 107 3HE MET 107 -19.443 -3.071 2.817 832 H LYS 108 H LYS 108 -15.900 0.430 6.558 833 HA LYS 108 HA LYS 108 -14.732 -2.009 6.369 834 HB2 LYS 108 2HB LYS 108 -13.646 0.080 7.113 835 HB3 LYS 108 1HB LYS 108 -14.430 -0.083 8.675 836 HG2 LYS 108 2HG LYS 108 -13.200 -2.389 8.726 837 HG3 LYS 108 1HG LYS 108 -12.163 -1.627 7.512 838 HD2 LYS 108 2HD LYS 108 -12.210 0.356 9.283 839 HD3 LYS 108 1HD LYS 108 -12.523 -0.979 10.393 840 HE2 LYS 108 2HE LYS 108 -10.318 -1.349 8.458 841 HE3 LYS 108 1HE LYS 108 -10.059 -0.150 9.720 842 HZ1 LYS 108 1HZ LYS 108 -10.596 -3.038 10.042 843 HZ2 LYS 108 2HZ LYS 108 -10.746 -1.950 11.328 844 HZ3 LYS 108 3HZ LYS 108 -9.244 -2.158 10.562 845 H LYS 109 H LYS 109 -16.839 -0.926 8.982 846 HA LYS 109 HA LYS 109 -16.632 -3.164 10.690 847 HB2 LYS 109 2HB LYS 109 -19.246 -1.723 10.301 848 HB3 LYS 109 1HB LYS 109 -18.590 -2.416 11.773 849 HG2 LYS 109 2HG LYS 109 -17.431 -0.007 10.411 850 HG3 LYS 109 1HG LYS 109 -18.649 0.074 11.683 851 HD2 LYS 109 2HD LYS 109 -16.926 -1.445 12.967 852 HD3 LYS 109 1HD LYS 109 -15.781 -0.719 11.829 853 HE2 LYS 109 2HE LYS 109 -16.264 1.469 12.584 854 HE3 LYS 109 1HE LYS 109 -17.708 0.939 13.439 855 HZ1 LYS 109 1HZ LYS 109 -16.298 -0.255 14.999 856 HZ2 LYS 109 2HZ LYS 109 -15.913 1.394 14.970 857 HZ3 LYS 109 3HZ LYS 109 -14.909 0.276 14.182 858 H ARG 110 H ARG 110 -19.303 -2.434 8.474 859 HA ARG 110 HA ARG 110 -20.479 -4.972 8.526 860 HB2 ARG 110 2HB ARG 110 -21.537 -2.883 7.634 861 HB3 ARG 110 1HB ARG 110 -20.482 -2.986 6.237 862 HG2 ARG 110 2HG ARG 110 -21.505 -5.264 5.803 863 HG3 ARG 110 1HG ARG 110 -22.711 -4.840 7.015 864 HD2 ARG 110 2HD ARG 110 -22.438 -2.659 5.204 865 HD3 ARG 110 1HD ARG 110 -22.652 -4.140 4.270 866 HE ARG 110 HE ARG 110 -24.552 -2.998 6.186 867 HH11 ARG 110 1HH1 ARG 110 -23.781 -5.437 3.772 868 HH12 ARG 110 2HH1 ARG 110 -25.436 -5.947 3.594 869 HH21 ARG 110 1HH2 ARG 110 -26.715 -3.669 5.938 870 HH22 ARG 110 2HH2 ARG 110 -27.098 -4.937 4.811 871 H LEU 111 H LEU 111 -17.864 -3.638 6.732 872 HA LEU 111 HA LEU 111 -17.624 -5.575 4.722 873 HB2 LEU 111 2HB LEU 111 -15.985 -3.402 5.848 874 HB3 LEU 111 1HB LEU 111 -15.123 -4.620 4.953 875 HG LEU 111 HG LEU 111 -17.497 -3.211 3.913 876 HD11 LEU 111 1HD1 LEU 111 -15.945 -1.810 2.608 877 HD12 LEU 111 2HD1 LEU 111 -14.597 -2.544 3.477 878 HD13 LEU 111 3HD1 LEU 111 -15.771 -1.554 4.344 879 HD21 LEU 111 1HD2 LEU 111 -15.398 -4.770 2.501 880 HD22 LEU 111 2HD2 LEU 111 -16.744 -3.918 1.740 881 HD23 LEU 111 3HD2 LEU 111 -17.058 -5.279 2.817 882 H ALA 112 H ALA 112 -15.989 -5.271 7.895 883 HA ALA 112 HA ALA 112 -14.476 -7.639 7.365 884 HB1 ALA 112 1HB ALA 112 -13.799 -7.488 9.730 885 HB2 ALA 112 2HB ALA 112 -14.981 -6.204 9.979 886 HB3 ALA 112 3HB ALA 112 -13.613 -5.947 8.893 887 H ASN 113 H ASN 113 -17.650 -7.088 8.125 888 HA ASN 113 HA ASN 113 -17.990 -9.666 9.442 889 HB2 ASN 113 2HB ASN 113 -19.701 -7.235 9.107 890 HB3 ASN 113 1HB ASN 113 -20.460 -8.786 9.445 891 HD21 ASN 113 1HD2 ASN 113 -18.436 -6.253 10.677 892 HD22 ASN 113 2HD2 ASN 113 -18.473 -6.762 12.334 893 H GLU 114 H GLU 114 -18.691 -7.946 6.464 894 HA GLU 114 HA GLU 114 -20.248 -10.170 5.427 895 HB2 GLU 114 2HB GLU 114 -19.662 -7.416 4.386 896 HB3 GLU 114 1HB GLU 114 -20.413 -8.648 3.378 897 HG2 GLU 114 2HG GLU 114 -22.032 -8.830 5.464 898 HG3 GLU 114 1HG GLU 114 -21.492 -7.171 5.708 899 H ALA 115 H ALA 115 -17.088 -8.583 4.873 900 HA ALA 115 HA ALA 115 -16.562 -10.297 2.592 901 HB1 ALA 115 1HB ALA 115 -14.270 -9.414 2.739 902 HB2 ALA 115 2HB ALA 115 -14.693 -8.601 4.247 903 HB3 ALA 115 3HB ALA 115 -15.477 -8.132 2.738 904 H LYS 116 H LYS 116 -16.986 -10.951 5.679 905 HA LYS 116 HA LYS 116 -14.911 -13.017 5.829 906 HB2 LYS 116 2HB LYS 116 -14.582 -12.455 7.972 907 HB3 LYS 116 1HB LYS 116 -15.455 -10.984 7.575 908 HG2 LYS 116 2HG LYS 116 -17.371 -11.660 8.627 909 HG3 LYS 116 1HG LYS 116 -16.992 -13.376 8.475 910 HD2 LYS 116 2HD LYS 116 -15.415 -11.499 10.221 911 HD3 LYS 116 1HD LYS 116 -16.825 -12.377 10.805 912 HE2 LYS 116 2HE LYS 116 -15.030 -13.711 11.459 913 HE3 LYS 116 1HE LYS 116 -15.603 -14.485 9.981 914 HZ1 LYS 116 1HZ LYS 116 -13.492 -12.467 9.732 915 HZ2 LYS 116 2HZ LYS 116 -13.744 -13.890 8.844 916 HZ3 LYS 116 3HZ LYS 116 -13.066 -13.968 10.393 917 H GLU 117 H GLU 117 -18.235 -12.521 5.385 918 HA GLU 117 HA GLU 117 -18.898 -15.122 6.542 919 HB2 GLU 117 2HB GLU 117 -21.280 -14.462 6.020 920 HB3 GLU 117 1HB GLU 117 -20.459 -13.508 7.242 921 HG2 GLU 117 2HG GLU 117 -20.497 -11.625 6.007 922 HG3 GLU 117 1HG GLU 117 -20.351 -12.483 4.472 923 H ALA 118 H ALA 118 -18.488 -16.738 5.271 924 HA ALA 118 HA ALA 118 -19.855 -17.031 2.770 925 HB1 ALA 118 1HB ALA 118 -17.895 -17.385 1.369 926 HB2 ALA 118 2HB ALA 118 -16.833 -16.973 2.717 927 HB3 ALA 118 3HB ALA 118 -17.894 -15.746 2.022 928 H LYS 119 H LYS 119 -20.753 -18.829 3.810 929 HA LYS 119 HA LYS 119 -18.884 -21.062 4.256 930 HB2 LYS 119 2HB LYS 119 -21.396 -20.324 5.751 931 HB3 LYS 119 1HB LYS 119 -20.710 -21.939 5.828 932 HG2 LYS 119 2HG LYS 119 -19.338 -19.395 6.670 933 HG3 LYS 119 1HG LYS 119 -20.049 -20.598 7.743 934 HD2 LYS 119 2HD LYS 119 -18.432 -22.221 6.447 935 HD3 LYS 119 1HD LYS 119 -17.550 -20.726 6.129 936 HE2 LYS 119 2HE LYS 119 -18.249 -21.919 8.804 937 HE3 LYS 119 1HE LYS 119 -16.646 -21.706 8.109 938 HZ1 LYS 119 1HZ LYS 119 -17.029 -19.274 8.209 939 HZ2 LYS 119 2HZ LYS 119 -17.016 -20.019 9.734 940 HZ3 LYS 119 3HZ LYS 119 -18.488 -19.563 9.029 941 H LYS 120 H LYS 120 -19.033 -22.300 2.514 942 HA LYS 120 HA LYS 120 -21.620 -23.457 1.861 943 HB2 LYS 120 2HB LYS 120 -19.989 -21.801 -0.005 944 HB3 LYS 120 1HB LYS 120 -20.755 -23.246 -0.649 945 HG2 LYS 120 2HG LYS 120 -22.844 -22.163 0.649 946 HG3 LYS 120 1HG LYS 120 -21.946 -20.699 0.231 947 HD2 LYS 120 2HD LYS 120 -21.881 -21.466 -2.121 948 HD3 LYS 120 1HD LYS 120 -22.867 -22.858 -1.670 949 HE2 LYS 120 2HE LYS 120 -24.579 -21.196 -0.816 950 HE3 LYS 120 1HE LYS 120 -23.628 -19.946 -1.618 951 HZ1 LYS 120 1HZ LYS 120 -23.961 -21.073 -3.723 952 HZ2 LYS 120 2HZ LYS 120 -25.461 -20.743 -3.003 953 HZ3 LYS 120 3HZ LYS 120 -24.831 -22.311 -2.960 Start of MODEL 19 1 H MET 1 1HT MET 1 -18.623 18.201 -2.501 2 HA MET 1 HA MET 1 -16.298 20.001 -2.197 3 HB2 MET 1 2HB MET 1 -18.046 18.532 -0.236 4 HB3 MET 1 1HB MET 1 -16.415 19.048 0.182 5 HG2 MET 1 2HG MET 1 -16.956 21.281 0.117 6 HG3 MET 1 1HG MET 1 -18.342 21.023 -0.939 7 HE1 MET 1 1HE MET 1 -20.756 20.463 -0.122 8 HE2 MET 1 2HE MET 1 -21.073 19.693 1.435 9 HE3 MET 1 3HE MET 1 -20.063 18.882 0.236 10 H VAL 2 H VAL 2 -14.374 19.083 -2.322 11 HA VAL 2 HA VAL 2 -14.299 16.207 -2.864 12 HB VAL 2 HB VAL 2 -11.996 16.626 -3.694 13 HG11 VAL 2 1HG1 VAL 2 -14.167 18.325 -4.905 14 HG12 VAL 2 2HG1 VAL 2 -13.841 16.626 -5.251 15 HG13 VAL 2 3HG1 VAL 2 -12.670 17.862 -5.713 16 HG21 VAL 2 1HG2 VAL 2 -12.663 19.512 -3.138 17 HG22 VAL 2 2HG2 VAL 2 -11.299 18.957 -4.107 18 HG23 VAL 2 3HG2 VAL 2 -11.379 18.561 -2.389 19 H ASP 3 H ASP 3 -13.297 14.770 -1.623 20 HA ASP 3 HA ASP 3 -12.050 15.704 0.867 21 HB2 ASP 3 2HB ASP 3 -12.728 13.610 1.856 22 HB3 ASP 3 1HB ASP 3 -14.119 14.254 0.988 23 H LEU 4 H LEU 4 -11.084 14.993 -1.984 24 HA LEU 4 HA LEU 4 -9.087 12.935 -1.415 25 HB2 LEU 4 2HB LEU 4 -8.724 12.904 -3.792 26 HB3 LEU 4 1HB LEU 4 -10.452 12.865 -3.482 27 HG LEU 4 HG LEU 4 -9.819 15.576 -3.686 28 HD11 LEU 4 1HD1 LEU 4 -8.752 15.754 -5.879 29 HD12 LEU 4 2HD1 LEU 4 -8.476 14.012 -5.882 30 HD13 LEU 4 3HD1 LEU 4 -7.681 15.030 -4.681 31 HD21 LEU 4 1HD2 LEU 4 -11.191 15.489 -5.689 32 HD22 LEU 4 2HD2 LEU 4 -11.889 14.520 -4.392 33 HD23 LEU 4 3HD2 LEU 4 -11.043 13.732 -5.724 34 H GLU 5 H GLU 5 -9.177 16.154 -0.956 35 HA GLU 5 HA GLU 5 -6.629 16.732 -2.236 36 HB2 GLU 5 2HB GLU 5 -7.171 19.074 -1.170 37 HB3 GLU 5 1HB GLU 5 -7.946 18.530 -2.649 38 HG2 GLU 5 2HG GLU 5 -9.974 18.265 -1.663 39 HG3 GLU 5 1HG GLU 5 -9.286 17.899 -0.082 40 H GLN 6 H GLN 6 -7.250 15.281 0.622 41 HA GLN 6 HA GLN 6 -4.712 15.983 1.682 42 HB2 GLN 6 2HB GLN 6 -6.157 18.044 2.105 43 HB3 GLN 6 1HB GLN 6 -6.957 17.072 3.332 44 HG2 GLN 6 2HG GLN 6 -4.706 16.710 4.367 45 HG3 GLN 6 1HG GLN 6 -4.082 17.923 3.242 46 HE21 GLN 6 1HE2 GLN 6 -6.624 19.358 3.272 47 HE22 GLN 6 2HE2 GLN 6 -6.659 20.216 4.776 48 H GLU 7 H GLU 7 -7.736 14.314 2.083 49 HA GLU 7 HA GLU 7 -7.041 13.211 4.639 50 HB2 GLU 7 2HB GLU 7 -9.238 12.562 2.694 51 HB3 GLU 7 1HB GLU 7 -9.046 11.760 4.253 52 HG2 GLU 7 2HG GLU 7 -8.876 14.574 4.614 53 HG3 GLU 7 1HG GLU 7 -10.333 14.194 3.694 54 H PHE 8 H PHE 8 -5.375 12.819 2.173 55 HA PHE 8 HA PHE 8 -4.506 10.149 2.720 56 HB2 PHE 8 2HB PHE 8 -4.756 10.824 -0.161 57 HB3 PHE 8 1HB PHE 8 -4.795 9.240 0.600 58 HD1 PHE 8 1HD PHE 8 -6.903 8.240 1.234 59 HD2 PHE 8 2HD PHE 8 -6.724 12.194 -0.309 60 HE1 PHE 8 1HE PHE 8 -9.344 8.234 0.902 61 HE2 PHE 8 2HE PHE 8 -9.148 12.187 -0.637 62 HZ PHE 8 HZ PHE 8 -10.459 10.222 -0.031 63 H ALA 9 H ALA 9 -2.841 11.565 3.579 64 HA ALA 9 HA ALA 9 -1.111 12.582 1.521 65 HB1 ALA 9 1HB ALA 9 -2.617 14.441 2.036 66 HB2 ALA 9 2HB ALA 9 -0.968 14.799 2.548 67 HB3 ALA 9 3HB ALA 9 -2.178 14.327 3.739 68 H LEU 10 H LEU 10 0.469 14.053 3.280 69 HA LEU 10 HA LEU 10 2.340 12.180 4.062 70 HB2 LEU 10 2HB LEU 10 1.827 15.034 4.727 71 HB3 LEU 10 1HB LEU 10 3.145 14.174 5.502 72 HG LEU 10 HG LEU 10 3.788 13.578 2.997 73 HD11 LEU 10 1HD1 LEU 10 2.303 16.185 2.690 74 HD12 LEU 10 2HD1 LEU 10 1.813 14.633 2.011 75 HD13 LEU 10 3HD1 LEU 10 3.302 15.403 1.464 76 HD21 LEU 10 1HD2 LEU 10 5.226 15.579 2.951 77 HD22 LEU 10 2HD2 LEU 10 5.242 14.753 4.509 78 HD23 LEU 10 3HD2 LEU 10 4.312 16.236 4.308 79 H GLY 11 H GLY 11 1.994 10.597 5.526 80 HA2 GLY 11 2HA GLY 11 1.692 9.626 7.585 81 HA3 GLY 11 1HA GLY 11 1.794 11.236 8.285 82 H GLY 12 H GLY 12 -0.495 10.772 5.832 83 HA2 GLY 12 2HA GLY 12 -2.656 11.426 7.564 84 HA3 GLY 12 1HA GLY 12 -2.773 11.012 5.858 85 H ARG 13 H ARG 13 -4.396 10.217 8.147 86 HA ARG 13 HA ARG 13 -3.878 7.349 8.325 87 HB2 ARG 13 2HB ARG 13 -5.104 9.312 10.040 88 HB3 ARG 13 1HB ARG 13 -6.276 8.053 9.672 89 HG2 ARG 13 2HG ARG 13 -4.885 7.722 11.743 90 HG3 ARG 13 1HG ARG 13 -4.933 6.374 10.605 91 HD2 ARG 13 2HD ARG 13 -2.672 6.899 11.561 92 HD3 ARG 13 1HD ARG 13 -2.756 6.860 9.805 93 HE ARG 13 HE ARG 13 -2.130 9.045 9.770 94 HH11 ARG 13 1HH1 ARG 13 -3.454 8.384 12.956 95 HH12 ARG 13 2HH1 ARG 13 -2.878 9.878 13.632 96 HH21 ARG 13 1HH2 ARG 13 -1.440 11.026 10.644 97 HH22 ARG 13 2HH2 ARG 13 -1.812 11.420 12.297 98 H CYS 14 H CYS 14 -4.712 6.149 6.763 99 HA CYS 14 HA CYS 14 -7.368 6.848 5.715 100 HB2 CYS 14 2HB CYS 14 -5.076 5.939 3.985 101 HB3 CYS 14 1HB CYS 14 -6.656 6.512 3.461 102 HG CYS 14 HG CYS 14 -6.254 9.137 3.970 103 H LEU 15 H LEU 15 -8.391 5.099 4.560 104 HA LEU 15 HA LEU 15 -7.654 2.479 5.665 105 HB2 LEU 15 2HB LEU 15 -10.245 3.715 4.815 106 HB3 LEU 15 1HB LEU 15 -10.056 1.979 4.668 107 HG LEU 15 HG LEU 15 -10.033 3.634 7.179 108 HD11 LEU 15 1HD1 LEU 15 -11.695 1.318 6.209 109 HD12 LEU 15 2HD1 LEU 15 -12.214 2.994 6.378 110 HD13 LEU 15 3HD1 LEU 15 -11.813 2.046 7.809 111 HD21 LEU 15 1HD2 LEU 15 -8.195 2.060 7.351 112 HD22 LEU 15 2HD2 LEU 15 -9.259 0.741 6.874 113 HD23 LEU 15 3HD2 LEU 15 -9.525 1.579 8.403 114 H ALA 16 H ALA 16 -7.188 0.813 4.178 115 HA ALA 16 HA ALA 16 -7.415 1.640 1.368 116 HB1 ALA 16 1HB ALA 16 -4.989 0.293 2.526 117 HB2 ALA 16 2HB ALA 16 -5.102 1.993 2.074 118 HB3 ALA 16 3HB ALA 16 -5.235 0.741 0.838 119 H PHE 17 H PHE 17 -7.897 0.105 -0.079 120 HA PHE 17 HA PHE 17 -9.187 -2.216 1.032 121 HB2 PHE 17 2HB PHE 17 -9.191 -0.799 -1.573 122 HB3 PHE 17 1HB PHE 17 -9.567 -2.518 -1.605 123 HD1 PHE 17 1HD PHE 17 -10.819 0.759 -1.018 124 HD2 PHE 17 2HD PHE 17 -11.420 -3.341 -0.043 125 HE1 PHE 17 1HE PHE 17 -13.133 1.259 -0.361 126 HE2 PHE 17 2HE PHE 17 -13.739 -2.844 0.618 127 HZ PHE 17 HZ PHE 17 -14.600 -0.542 0.456 128 H HIS 18 H HIS 18 -7.880 -3.797 1.595 129 HA HIS 18 HA HIS 18 -5.931 -4.775 -0.384 130 HB2 HIS 18 2HB HIS 18 -5.306 -4.234 2.151 131 HB3 HIS 18 1HB HIS 18 -5.999 -5.832 2.423 132 HD2 HIS 18 2HD HIS 18 -4.524 -7.974 1.464 133 HE1 HIS 18 1HE HIS 18 -1.238 -5.625 0.188 134 HE2 HIS 18 2HE HIS 18 -2.163 -7.977 0.375 135 H GLY 19 H GLY 19 -7.026 -6.116 -1.654 136 HA2 GLY 19 2HA GLY 19 -8.179 -8.030 -2.251 137 HA3 GLY 19 1HA GLY 19 -8.238 -8.466 -0.542 138 HA PRO 20 HA PRO 20 -12.431 -6.981 -0.998 139 HB2 PRO 20 2HB PRO 20 -13.475 -8.562 0.933 140 HB3 PRO 20 1HB PRO 20 -13.077 -9.142 -0.685 141 HG2 PRO 20 2HG PRO 20 -11.786 -9.772 1.848 142 HG3 PRO 20 1HG PRO 20 -11.575 -10.544 0.270 143 HD2 PRO 20 2HD PRO 20 -9.913 -8.515 1.574 144 HD3 PRO 20 1HD PRO 20 -9.546 -9.526 0.163 145 H LEU 21 H LEU 21 -10.328 -6.451 1.669 146 HA LEU 21 HA LEU 21 -12.487 -4.922 2.959 147 HB2 LEU 21 2HB LEU 21 -10.480 -6.737 4.191 148 HB3 LEU 21 1HB LEU 21 -11.101 -5.376 5.114 149 HG LEU 21 HG LEU 21 -12.559 -7.791 4.106 150 HD11 LEU 21 1HD1 LEU 21 -13.394 -7.842 6.392 151 HD12 LEU 21 2HD1 LEU 21 -12.528 -6.347 6.753 152 HD13 LEU 21 3HD1 LEU 21 -11.628 -7.816 6.374 153 HD21 LEU 21 1HD2 LEU 21 -13.817 -5.190 4.959 154 HD22 LEU 21 2HD2 LEU 21 -14.669 -6.696 4.626 155 HD23 LEU 21 3HD2 LEU 21 -13.827 -5.852 3.326 156 H MET 22 H MET 22 -11.844 -3.313 4.438 157 HA MET 22 HA MET 22 -9.720 -1.614 3.406 158 HB2 MET 22 2HB MET 22 -12.357 -1.229 4.654 159 HB3 MET 22 1HB MET 22 -11.119 -0.194 5.358 160 HG2 MET 22 2HG MET 22 -10.570 0.685 3.153 161 HG3 MET 22 1HG MET 22 -11.760 -0.386 2.417 162 HE1 MET 22 1HE MET 22 -14.331 -0.045 2.497 163 HE2 MET 22 2HE MET 22 -15.142 1.062 3.607 164 HE3 MET 22 3HE MET 22 -14.236 -0.313 4.238 165 H TYR 23 H TYR 23 -7.855 -1.385 4.532 166 HA TYR 23 HA TYR 23 -7.884 -2.167 7.380 167 HB2 TYR 23 2HB TYR 23 -5.850 -2.758 5.244 168 HB3 TYR 23 1HB TYR 23 -5.432 -2.808 6.953 169 HD1 TYR 23 1HD TYR 23 -7.692 -4.103 8.219 170 HD2 TYR 23 2HD TYR 23 -5.922 -4.914 4.438 171 HE1 TYR 23 1HE TYR 23 -8.507 -6.420 8.340 172 HE2 TYR 23 2HE TYR 23 -6.730 -7.233 4.552 173 HH TYR 23 HH TYR 23 -9.042 -8.262 6.815 174 H GLU 24 H GLU 24 -6.533 -1.012 8.785 175 HA GLU 24 HA GLU 24 -6.326 1.736 8.321 176 HB2 GLU 24 2HB GLU 24 -5.376 -0.127 10.428 177 HB3 GLU 24 1HB GLU 24 -4.553 1.423 10.322 178 HG2 GLU 24 2HG GLU 24 -6.198 1.925 11.808 179 HG3 GLU 24 1HG GLU 24 -6.985 2.376 10.296 180 H ALA 25 H ALA 25 -4.916 2.856 7.167 181 HA ALA 25 HA ALA 25 -2.259 1.679 6.714 182 HB1 ALA 25 1HB ALA 25 -2.312 2.591 4.452 183 HB2 ALA 25 2HB ALA 25 -3.943 3.197 4.739 184 HB3 ALA 25 3HB ALA 25 -3.639 1.461 4.732 185 H LYS 26 H LYS 26 -0.567 2.916 7.119 186 HA LYS 26 HA LYS 26 -1.000 5.773 7.703 187 HB2 LYS 26 2HB LYS 26 -0.009 4.560 9.559 188 HB3 LYS 26 1HB LYS 26 1.199 3.845 8.504 189 HG2 LYS 26 2HG LYS 26 2.125 6.113 8.114 190 HG3 LYS 26 1HG LYS 26 0.983 6.736 9.306 191 HD2 LYS 26 2HD LYS 26 2.023 5.608 11.067 192 HD3 LYS 26 1HD LYS 26 2.844 4.484 9.980 193 HE2 LYS 26 2HE LYS 26 4.255 6.305 9.158 194 HE3 LYS 26 1HE LYS 26 3.423 7.435 10.229 195 HZ1 LYS 26 1HZ LYS 26 4.494 6.638 12.053 196 HZ2 LYS 26 2HZ LYS 26 5.688 6.289 10.897 197 HZ3 LYS 26 3HZ LYS 26 4.650 5.067 11.436 198 H ILE 27 H ILE 27 -0.631 6.963 5.931 199 HA ILE 27 HA ILE 27 1.047 6.064 3.799 200 HB ILE 27 HB ILE 27 0.019 8.873 4.191 201 HG12 ILE 27 2HG1 ILE 27 -1.358 6.632 2.701 202 HG13 ILE 27 1HG1 ILE 27 -1.774 7.097 4.347 203 HG21 ILE 27 1HG2 ILE 27 0.130 8.926 1.719 204 HG22 ILE 27 2HG2 ILE 27 0.836 7.308 1.741 205 HG23 ILE 27 3HG2 ILE 27 1.708 8.659 2.468 206 HD11 ILE 27 1HD1 ILE 27 -2.739 9.060 3.691 207 HD12 ILE 27 2HD1 ILE 27 -3.117 8.019 2.319 208 HD13 ILE 27 3HD1 ILE 27 -1.782 9.166 2.215 209 H LEU 28 H LEU 28 3.082 6.122 3.642 210 HA LEU 28 HA LEU 28 4.585 7.969 5.341 211 HB2 LEU 28 2HB LEU 28 4.805 5.327 5.262 212 HB3 LEU 28 1HB LEU 28 5.887 5.711 3.932 213 HG LEU 28 HG LEU 28 6.972 7.344 5.562 214 HD11 LEU 28 1HD1 LEU 28 5.540 5.559 7.512 215 HD12 LEU 28 2HD1 LEU 28 5.275 7.290 7.287 216 HD13 LEU 28 3HD1 LEU 28 6.815 6.708 7.922 217 HD21 LEU 28 1HD2 LEU 28 8.012 5.285 4.718 218 HD22 LEU 28 2HD2 LEU 28 7.251 4.385 6.032 219 HD23 LEU 28 3HD2 LEU 28 8.461 5.616 6.392 220 H LYS 29 H LYS 29 3.978 7.055 2.042 221 HA LYS 29 HA LYS 29 5.587 9.338 1.194 222 HB2 LYS 29 2HB LYS 29 5.780 6.883 -0.503 223 HB3 LYS 29 1HB LYS 29 6.915 8.214 -0.342 224 HG2 LYS 29 2HG LYS 29 7.274 7.256 2.052 225 HG3 LYS 29 1HG LYS 29 6.573 5.790 1.365 226 HD2 LYS 29 2HD LYS 29 8.885 7.226 0.077 227 HD3 LYS 29 1HD LYS 29 9.116 5.996 1.319 228 HE2 LYS 29 2HE LYS 29 7.540 4.598 -0.263 229 HE3 LYS 29 1HE LYS 29 8.131 5.734 -1.476 230 HZ1 LYS 29 1HZ LYS 29 9.625 3.976 -1.577 231 HZ2 LYS 29 2HZ LYS 29 9.673 3.770 0.111 232 HZ3 LYS 29 3HZ LYS 29 10.429 5.106 -0.607 233 H ILE 30 H ILE 30 4.290 10.601 0.042 234 HA ILE 30 HA ILE 30 1.891 9.525 -1.224 235 HB ILE 30 HB ILE 30 2.929 12.335 -0.793 236 HG12 ILE 30 2HG1 ILE 30 0.702 12.564 0.372 237 HG13 ILE 30 1HG1 ILE 30 0.491 10.832 0.156 238 HG21 ILE 30 1HG2 ILE 30 0.473 11.564 -2.360 239 HG22 ILE 30 2HG2 ILE 30 1.932 12.311 -3.011 240 HG23 ILE 30 3HG2 ILE 30 0.914 13.201 -1.877 241 HD11 ILE 30 1HD1 ILE 30 2.455 10.402 1.495 242 HD12 ILE 30 2HD1 ILE 30 1.286 11.385 2.381 243 HD13 ILE 30 3HD1 ILE 30 2.719 12.136 1.679 244 H TRP 31 H TRP 31 1.510 9.632 -3.521 245 HA TRP 31 HA TRP 31 4.047 9.930 -4.990 246 HB2 TRP 31 2HB TRP 31 3.321 7.665 -5.051 247 HB3 TRP 31 1HB TRP 31 1.683 8.143 -5.498 248 HD1 TRP 31 HD TRP 31 1.200 8.412 -8.031 249 HE1 TRP 31 1HE TRP 31 2.628 8.225 -10.178 250 HE3 TRP 31 3HE TRP 31 5.738 8.262 -5.845 251 HZ2 TRP 31 2HZ TRP 31 5.372 8.044 -10.804 252 HZ3 TRP 31 3HZ TRP 31 7.737 8.101 -7.261 253 HH2 TRP 31 HH TRP 31 7.547 7.995 -9.683 254 H ASP 32 H ASP 32 4.161 11.431 -6.497 255 HA ASP 32 HA ASP 32 1.676 12.694 -7.430 256 HB2 ASP 32 2HB ASP 32 3.278 14.195 -6.298 257 HB3 ASP 32 1HB ASP 32 4.502 13.775 -7.497 258 HA PRO 33 HA PRO 33 2.788 10.552 -11.256 259 HB2 PRO 33 2HB PRO 33 0.370 10.715 -12.389 260 HB3 PRO 33 1HB PRO 33 0.680 9.604 -11.050 261 HG2 PRO 33 2HG PRO 33 -0.596 12.316 -11.004 262 HG3 PRO 33 1HG PRO 33 -1.122 10.821 -10.205 263 HD2 PRO 33 2HD PRO 33 0.259 12.784 -8.925 264 HD3 PRO 33 1HD PRO 33 0.368 11.071 -8.477 265 H SER 34 H SER 34 2.452 13.706 -10.636 266 HA SER 34 HA SER 34 2.070 14.619 -13.376 267 HB2 SER 34 2HB SER 34 1.016 15.765 -11.351 268 HB3 SER 34 1HB SER 34 2.635 16.333 -10.949 269 HG SER 34 HG SER 34 1.845 17.935 -12.166 270 H SER 35 H SER 35 4.539 13.989 -11.085 271 HA SER 35 HA SER 35 6.547 15.103 -12.926 272 HB2 SER 35 2HB SER 35 7.074 14.849 -9.983 273 HB3 SER 35 1HB SER 35 7.804 15.946 -11.156 274 HG SER 35 HG SER 35 5.213 16.082 -9.993 275 H LYS 36 H LYS 36 5.472 12.553 -10.876 276 HA LYS 36 HA LYS 36 5.856 10.351 -10.921 277 HB2 LYS 36 2HB LYS 36 6.624 10.570 -13.327 278 HB3 LYS 36 1HB LYS 36 8.265 10.699 -12.691 279 HG2 LYS 36 2HG LYS 36 7.969 8.560 -11.544 280 HG3 LYS 36 1HG LYS 36 6.355 8.429 -12.235 281 HD2 LYS 36 2HD LYS 36 7.188 8.136 -14.410 282 HD3 LYS 36 1HD LYS 36 8.788 8.738 -13.974 283 HE2 LYS 36 2HE LYS 36 9.348 6.779 -12.830 284 HE3 LYS 36 1HE LYS 36 7.669 6.262 -12.712 285 HZ1 LYS 36 1HZ LYS 36 7.650 5.480 -14.835 286 HZ2 LYS 36 2HZ LYS 36 9.272 5.192 -14.444 287 HZ3 LYS 36 3HZ LYS 36 8.854 6.545 -15.377 288 H MET 37 H MET 37 6.684 12.262 -9.245 289 HA MET 37 HA MET 37 8.979 11.078 -7.944 290 HB2 MET 37 2HB MET 37 7.854 13.891 -7.703 291 HB3 MET 37 1HB MET 37 9.235 13.270 -6.814 292 HG2 MET 37 2HG MET 37 10.583 13.222 -8.727 293 HG3 MET 37 1HG MET 37 9.199 13.393 -9.809 294 HE1 MET 37 1HE MET 37 11.509 16.690 -10.033 295 HE2 MET 37 2HE MET 37 11.013 15.240 -10.908 296 HE3 MET 37 3HE MET 37 12.093 15.105 -9.520 297 H TYR 38 H TYR 38 8.585 11.520 -5.473 298 HA TYR 38 HA TYR 38 5.782 11.268 -4.806 299 HB2 TYR 38 2HB TYR 38 6.149 9.268 -3.437 300 HB3 TYR 38 1HB TYR 38 6.501 8.947 -5.127 301 HD1 TYR 38 1HD TYR 38 8.764 8.487 -5.862 302 HD2 TYR 38 2HD TYR 38 7.884 9.245 -1.774 303 HE1 TYR 38 1HE TYR 38 10.943 7.555 -5.227 304 HE2 TYR 38 2HE TYR 38 10.060 8.329 -1.122 305 HH TYR 38 HH TYR 38 11.812 6.398 -2.772 306 H THR 39 H THR 39 5.493 11.699 -2.465 307 HA THR 39 HA THR 39 7.872 13.067 -1.409 308 HB THR 39 HB THR 39 6.533 14.770 -0.461 309 HG1 THR 39 1HG THR 39 4.639 13.252 -0.177 310 HG21 THR 39 1HG2 THR 39 5.705 14.281 -3.299 311 HG22 THR 39 2HG2 THR 39 7.153 15.128 -2.762 312 HG23 THR 39 3HG2 THR 39 5.563 15.816 -2.451 313 H SER 40 H SER 40 8.643 11.942 0.140 314 HA SER 40 HA SER 40 6.922 10.306 1.817 315 HB2 SER 40 2HB SER 40 9.064 9.429 0.739 316 HB3 SER 40 1HB SER 40 9.939 10.438 1.890 317 HG SER 40 HG SER 40 7.954 8.719 2.868 318 H ILE 41 H ILE 41 7.874 10.192 4.173 319 HA ILE 41 HA ILE 41 8.519 12.875 5.162 320 HB ILE 41 HB ILE 41 6.555 11.482 6.844 321 HG12 ILE 41 2HG1 ILE 41 4.926 12.887 5.019 322 HG13 ILE 41 1HG1 ILE 41 5.952 11.822 4.059 323 HG21 ILE 41 1HG2 ILE 41 5.678 13.748 7.117 324 HG22 ILE 41 2HG2 ILE 41 6.771 14.320 5.859 325 HG23 ILE 41 3HG2 ILE 41 7.424 13.690 7.371 326 HD11 ILE 41 1HD1 ILE 41 3.867 10.735 4.638 327 HD12 ILE 41 2HD1 ILE 41 4.192 10.989 6.352 328 HD13 ILE 41 3HD1 ILE 41 5.226 9.919 5.407 329 HA PRO 42 HA PRO 42 11.012 10.212 7.733 330 HB2 PRO 42 2HB PRO 42 12.455 12.404 8.750 331 HB3 PRO 42 1HB PRO 42 12.897 11.413 7.361 332 HG2 PRO 42 2HG PRO 42 12.151 14.130 7.317 333 HG3 PRO 42 1HG PRO 42 12.338 13.060 5.917 334 HD2 PRO 42 2HD PRO 42 9.868 13.920 7.329 335 HD3 PRO 42 1HD PRO 42 10.103 13.480 5.623 336 H ASN 43 H ASN 43 10.009 9.449 9.498 337 HA ASN 43 HA ASN 43 9.719 11.176 11.830 338 HB2 ASN 43 2HB ASN 43 7.474 9.926 10.348 339 HB3 ASN 43 1HB ASN 43 7.423 9.776 12.098 340 HD21 ASN 43 1HD2 ASN 43 6.939 11.796 9.421 341 HD22 ASN 43 2HD2 ASN 43 6.468 13.220 10.281 342 H ASP 44 H ASP 44 9.001 7.931 10.602 343 HA ASP 44 HA ASP 44 9.386 6.553 12.999 344 HB2 ASP 44 2HB ASP 44 9.730 5.546 10.161 345 HB3 ASP 44 1HB ASP 44 9.530 4.534 11.589 346 H LYS 45 H LYS 45 11.622 7.201 10.334 347 HA LYS 45 HA LYS 45 13.798 5.905 11.715 348 HB2 LYS 45 2HB LYS 45 15.169 6.729 9.783 349 HB3 LYS 45 1HB LYS 45 13.830 5.682 9.340 350 HG2 LYS 45 2HG LYS 45 12.557 7.526 8.535 351 HG3 LYS 45 1HG LYS 45 13.713 8.689 9.192 352 HD2 LYS 45 2HD LYS 45 13.998 8.420 6.775 353 HD3 LYS 45 1HD LYS 45 15.422 7.861 7.654 354 HE2 LYS 45 2HE LYS 45 14.660 5.546 7.422 355 HE3 LYS 45 1HE LYS 45 13.220 6.103 6.568 356 HZ1 LYS 45 1HZ LYS 45 16.031 6.401 5.639 357 HZ2 LYS 45 2HZ LYS 45 14.669 7.000 4.831 358 HZ3 LYS 45 3HZ LYS 45 14.875 5.331 5.011 359 HA PRO 46 HA PRO 46 14.879 9.526 14.010 360 HB2 PRO 46 2HB PRO 46 17.421 8.202 14.558 361 HB3 PRO 46 1HB PRO 46 16.104 8.588 15.668 362 HG2 PRO 46 2HG PRO 46 16.687 6.052 14.939 363 HG3 PRO 46 1HG PRO 46 15.034 6.584 15.303 364 HD2 PRO 46 2HD PRO 46 16.354 6.176 12.643 365 HD3 PRO 46 1HD PRO 46 14.712 5.738 13.169 366 H GLY 47 H GLY 47 15.380 11.269 12.851 367 HA2 GLY 47 2HA GLY 47 16.726 12.861 11.882 368 HA3 GLY 47 1HA GLY 47 18.099 11.816 12.208 369 H GLY 48 H GLY 48 19.191 11.469 10.439 370 HA2 GLY 48 2HA GLY 48 18.473 9.988 8.283 371 HA3 GLY 48 1HA GLY 48 17.984 11.612 7.822 372 H SER 49 H SER 49 19.609 11.097 6.096 373 HA SER 49 HA SER 49 22.392 11.180 6.850 374 HB2 SER 49 2HB SER 49 21.479 11.652 4.046 375 HB3 SER 49 1HB SER 49 22.841 10.701 4.633 376 HG SER 49 HG SER 49 21.277 9.168 5.422 377 H SER 50 H SER 50 23.815 12.829 5.645 378 HA SER 50 HA SER 50 22.741 15.485 6.183 379 HB2 SER 50 2HB SER 50 25.573 14.726 5.453 380 HB3 SER 50 1HB SER 50 25.027 16.233 6.188 381 HG SER 50 HG SER 50 25.423 15.263 8.002 382 H GLN 51 H GLN 51 23.674 13.448 3.563 383 HA GLN 51 HA GLN 51 23.470 15.700 1.678 384 HB2 GLN 51 2HB GLN 51 24.470 13.005 0.849 385 HB3 GLN 51 1HB GLN 51 24.880 14.588 0.212 386 HG2 GLN 51 2HG GLN 51 26.807 14.198 1.298 387 HG3 GLN 51 1HG GLN 51 25.900 14.839 2.668 388 HE21 GLN 51 1HE2 GLN 51 27.257 12.023 1.192 389 HE22 GLN 51 2HE2 GLN 51 27.050 10.956 2.543 390 H ALA 52 H ALA 52 21.415 13.847 3.040 391 HA ALA 52 HA ALA 52 19.611 13.710 0.841 392 HB1 ALA 52 1HB ALA 52 20.864 11.669 0.356 393 HB2 ALA 52 2HB ALA 52 19.227 11.282 0.883 394 HB3 ALA 52 3HB ALA 52 20.580 11.092 1.999 395 H THR 53 H THR 53 17.549 12.482 1.636 396 HA THR 53 HA THR 53 15.766 12.547 3.014 397 HB THR 53 HB THR 53 16.357 11.936 5.517 398 HG1 THR 53 1HG THR 53 18.745 12.214 4.715 399 HG21 THR 53 1HG2 THR 53 16.315 9.588 4.895 400 HG22 THR 53 2HG2 THR 53 16.730 10.004 3.231 401 HG23 THR 53 3HG2 THR 53 15.179 10.510 3.911 402 H LYS 54 H LYS 54 15.582 13.233 5.777 403 HA LYS 54 HA LYS 54 15.166 14.990 7.132 404 HB2 LYS 54 2HB LYS 54 17.712 15.377 6.639 405 HB3 LYS 54 1HB LYS 54 17.132 16.731 5.679 406 HG2 LYS 54 2HG LYS 54 15.803 17.302 7.874 407 HG3 LYS 54 1HG LYS 54 17.058 16.314 8.623 408 HD2 LYS 54 2HD LYS 54 18.783 17.734 7.691 409 HD3 LYS 54 1HD LYS 54 17.576 18.690 6.833 410 HE2 LYS 54 2HE LYS 54 18.149 19.932 8.756 411 HE3 LYS 54 1HE LYS 54 16.574 19.217 9.092 412 HZ1 LYS 54 1HZ LYS 54 18.237 19.091 10.935 413 HZ2 LYS 54 2HZ LYS 54 19.126 18.001 9.989 414 HZ3 LYS 54 3HZ LYS 54 17.555 17.601 10.491 415 H GLU 55 H GLU 55 15.958 16.576 4.042 416 HA GLU 55 HA GLU 55 13.374 17.964 4.150 417 HB2 GLU 55 2HB GLU 55 14.439 19.264 2.176 418 HB3 GLU 55 1HB GLU 55 15.038 19.580 3.799 419 HG2 GLU 55 2HG GLU 55 17.083 18.770 3.347 420 HG3 GLU 55 1HG GLU 55 16.457 17.460 2.344 421 H ILE 56 H ILE 56 12.003 16.390 3.458 422 HA ILE 56 HA ILE 56 12.635 14.819 1.132 423 HB ILE 56 HB ILE 56 10.002 14.967 2.568 424 HG12 ILE 56 2HG1 ILE 56 11.785 14.262 4.104 425 HG13 ILE 56 1HG1 ILE 56 10.740 12.904 3.709 426 HG21 ILE 56 1HG2 ILE 56 11.179 12.957 0.650 427 HG22 ILE 56 2HG2 ILE 56 9.868 14.086 0.303 428 HG23 ILE 56 3HG2 ILE 56 9.630 12.791 1.478 429 HD11 ILE 56 1HD1 ILE 56 13.431 13.444 2.473 430 HD12 ILE 56 2HD1 ILE 56 12.397 12.051 2.161 431 HD13 ILE 56 3HD1 ILE 56 13.109 12.281 3.759 432 H LYS 57 H LYS 57 12.849 16.179 -0.528 433 HA LYS 57 HA LYS 57 10.568 17.779 -1.361 434 HB2 LYS 57 2HB LYS 57 13.203 17.339 -2.802 435 HB3 LYS 57 1HB LYS 57 12.022 18.606 -3.120 436 HG2 LYS 57 2HG LYS 57 12.589 19.075 -0.511 437 HG3 LYS 57 1HG LYS 57 14.139 18.456 -1.094 438 HD2 LYS 57 2HD LYS 57 14.049 20.103 -2.946 439 HD3 LYS 57 1HD LYS 57 12.563 20.755 -2.253 440 HE2 LYS 57 2HE LYS 57 14.116 22.183 -1.366 441 HE3 LYS 57 1HE LYS 57 14.014 20.967 -0.092 442 HZ1 LYS 57 1HZ LYS 57 15.986 19.893 -1.076 443 HZ2 LYS 57 2HZ LYS 57 16.300 21.467 -0.545 444 HZ3 LYS 57 3HZ LYS 57 16.102 21.158 -2.198 445 HA PRO 58 HA PRO 58 8.802 14.675 -3.976 446 HB2 PRO 58 2HB PRO 58 9.217 16.459 -6.331 447 HB3 PRO 58 1HB PRO 58 7.744 15.654 -5.774 448 HG2 PRO 58 2HG PRO 58 8.101 18.269 -5.384 449 HG3 PRO 58 1HG PRO 58 7.322 17.256 -4.155 450 HD2 PRO 58 2HD PRO 58 10.081 18.387 -4.208 451 HD3 PRO 58 1HD PRO 58 8.995 18.116 -2.830 452 H GLN 59 H GLN 59 10.135 12.981 -4.164 453 HA GLN 59 HA GLN 59 12.504 13.239 -5.887 454 HB2 GLN 59 2HB GLN 59 11.878 11.481 -3.533 455 HB3 GLN 59 1HB GLN 59 13.131 11.024 -4.683 456 HG2 GLN 59 2HG GLN 59 14.517 12.731 -4.071 457 HG3 GLN 59 1HG GLN 59 13.193 13.769 -3.549 458 HE21 GLN 59 1HE2 GLN 59 12.351 13.536 -1.506 459 HE22 GLN 59 2HE2 GLN 59 13.169 12.652 -0.265 460 H LYS 60 H LYS 60 12.694 12.105 -7.675 461 HA LYS 60 HA LYS 60 10.491 10.723 -8.772 462 HB2 LYS 60 2HB LYS 60 12.335 12.091 -9.971 463 HB3 LYS 60 1HB LYS 60 13.293 10.622 -9.861 464 HG2 LYS 60 2HG LYS 60 12.253 9.717 -11.595 465 HG3 LYS 60 1HG LYS 60 10.663 10.079 -10.919 466 HD2 LYS 60 2HD LYS 60 11.003 12.456 -11.708 467 HD3 LYS 60 1HD LYS 60 12.414 11.872 -12.589 468 HE2 LYS 60 2HE LYS 60 10.970 10.272 -13.785 469 HE3 LYS 60 1HE LYS 60 9.573 10.933 -12.938 470 HZ1 LYS 60 1HZ LYS 60 10.319 13.154 -13.930 471 HZ2 LYS 60 2HZ LYS 60 9.580 12.031 -14.969 472 HZ3 LYS 60 3HZ LYS 60 11.263 12.223 -14.988 473 H LEU 61 H LEU 61 10.236 8.584 -9.193 474 HA LEU 61 HA LEU 61 11.104 6.710 -7.356 475 HB2 LEU 61 2HB LEU 61 9.931 6.536 -10.084 476 HB3 LEU 61 1HB LEU 61 10.472 5.062 -9.290 477 HG LEU 61 HG LEU 61 8.307 6.964 -8.413 478 HD11 LEU 61 1HD1 LEU 61 6.955 4.915 -8.491 479 HD12 LEU 61 2HD1 LEU 61 8.361 4.025 -9.084 480 HD13 LEU 61 3HD1 LEU 61 7.659 5.321 -10.058 481 HD21 LEU 61 1HD2 LEU 61 9.656 6.367 -6.463 482 HD22 LEU 61 2HD2 LEU 61 9.470 4.657 -6.857 483 HD23 LEU 61 3HD2 LEU 61 8.060 5.617 -6.410 484 H GLY 62 H GLY 62 13.079 6.061 -6.962 485 HA2 GLY 62 2HA GLY 62 15.171 6.137 -8.900 486 HA3 GLY 62 1HA GLY 62 15.296 5.539 -7.261 487 H GLU 63 H GLU 63 13.295 4.419 -9.992 488 HA GLU 63 HA GLU 63 13.207 2.481 -11.166 489 HB2 GLU 63 2HB GLU 63 16.031 2.458 -10.248 490 HB3 GLU 63 1HB GLU 63 15.373 0.998 -10.978 491 HG2 GLU 63 2HG GLU 63 15.105 3.657 -12.299 492 HG3 GLU 63 1HG GLU 63 16.566 2.682 -12.471 493 H ASP 64 H ASP 64 14.669 1.864 -8.007 494 HA ASP 64 HA ASP 64 13.628 -0.859 -7.953 495 HB2 ASP 64 2HB ASP 64 15.847 -0.207 -6.939 496 HB3 ASP 64 1HB ASP 64 14.954 0.670 -5.700 497 H GLU 65 H GLU 65 12.419 2.057 -7.541 498 HA GLU 65 HA GLU 65 10.514 1.342 -5.434 499 HB2 GLU 65 2HB GLU 65 11.735 3.830 -6.509 500 HB3 GLU 65 1HB GLU 65 10.203 3.935 -5.626 501 HG2 GLU 65 2HG GLU 65 12.178 2.332 -4.233 502 HG3 GLU 65 1HG GLU 65 12.761 3.962 -4.556 503 H SER 66 H SER 66 10.723 1.076 -8.596 504 HA SER 66 HA SER 66 8.805 2.468 -9.919 505 HB2 SER 66 2HB SER 66 9.603 -0.417 -10.224 506 HB3 SER 66 1HB SER 66 8.518 0.401 -11.345 507 HG SER 66 HG SER 66 11.236 0.601 -11.079 508 H ILE 67 H ILE 67 6.780 2.727 -9.859 509 HA ILE 67 HA ILE 67 5.064 1.122 -8.125 510 HB ILE 67 HB ILE 67 4.793 3.823 -9.435 511 HG12 ILE 67 2HG1 ILE 67 4.913 3.003 -6.537 512 HG13 ILE 67 1HG1 ILE 67 6.279 3.603 -7.473 513 HG21 ILE 67 1HG2 ILE 67 2.683 4.125 -8.267 514 HG22 ILE 67 2HG2 ILE 67 2.755 2.464 -7.684 515 HG23 ILE 67 3HG2 ILE 67 2.585 2.785 -9.410 516 HD11 ILE 67 1HD1 ILE 67 3.757 5.112 -6.896 517 HD12 ILE 67 2HD1 ILE 67 5.148 5.716 -7.795 518 HD13 ILE 67 3HD1 ILE 67 5.302 5.325 -6.082 519 HA PRO 68 HA PRO 68 2.907 -1.035 -11.436 520 HB2 PRO 68 2HB PRO 68 0.506 -0.030 -9.958 521 HB3 PRO 68 1HB PRO 68 0.833 -1.650 -10.588 522 HG2 PRO 68 2HG PRO 68 1.119 -1.143 -7.997 523 HG3 PRO 68 1HG PRO 68 2.282 -2.177 -8.847 524 HD2 PRO 68 2HD PRO 68 2.582 0.624 -7.886 525 HD3 PRO 68 1HD PRO 68 3.803 -0.654 -8.045 526 H GLU 69 H GLU 69 2.705 -0.202 -13.386 527 HA GLU 69 HA GLU 69 2.490 2.499 -13.974 528 HB2 GLU 69 2HB GLU 69 1.957 0.097 -15.714 529 HB3 GLU 69 1HB GLU 69 2.130 1.744 -16.316 530 HG2 GLU 69 2HG GLU 69 4.395 1.854 -15.488 531 HG3 GLU 69 1HG GLU 69 4.236 0.260 -14.754 532 H GLU 70 H GLU 70 -0.082 0.353 -13.243 533 HA GLU 70 HA GLU 70 -2.090 1.878 -14.648 534 HB2 GLU 70 2HB GLU 70 -3.537 0.393 -12.917 535 HB3 GLU 70 1HB GLU 70 -2.961 -0.192 -14.470 536 HG2 GLU 70 2HG GLU 70 -1.160 -0.511 -12.138 537 HG3 GLU 70 1HG GLU 70 -2.592 -1.540 -12.220 538 H ILE 71 H ILE 71 -0.582 2.014 -11.543 539 HA ILE 71 HA ILE 71 -2.681 3.858 -10.609 540 HB ILE 71 HB ILE 71 -2.003 3.397 -8.341 541 HG12 ILE 71 2HG1 ILE 71 0.065 1.535 -9.524 542 HG13 ILE 71 1HG1 ILE 71 0.410 3.084 -8.763 543 HG21 ILE 71 1HG2 ILE 71 -3.625 1.896 -9.342 544 HG22 ILE 71 2HG2 ILE 71 -2.604 1.023 -8.198 545 HG23 ILE 71 3HG2 ILE 71 -2.330 0.859 -9.931 546 HD11 ILE 71 1HD1 ILE 71 -0.492 2.206 -6.645 547 HD12 ILE 71 2HD1 ILE 71 0.885 1.277 -7.243 548 HD13 ILE 71 3HD1 ILE 71 -0.753 0.647 -7.429 549 H ILE 72 H ILE 72 0.605 3.555 -11.491 550 HA ILE 72 HA ILE 72 1.903 5.609 -10.133 551 HB ILE 72 HB ILE 72 2.748 3.812 -11.728 552 HG12 ILE 72 2HG1 ILE 72 3.938 5.967 -10.633 553 HG13 ILE 72 1HG1 ILE 72 4.796 4.751 -11.571 554 HG21 ILE 72 1HG2 ILE 72 2.268 5.990 -13.734 555 HG22 ILE 72 2HG2 ILE 72 1.509 4.399 -13.699 556 HG23 ILE 72 3HG2 ILE 72 3.237 4.543 -14.023 557 HD11 ILE 72 1HD1 ILE 72 4.658 6.147 -13.546 558 HD12 ILE 72 2HD1 ILE 72 5.389 7.042 -12.212 559 HD13 ILE 72 3HD1 ILE 72 3.709 7.339 -12.658 560 H ASN 73 H ASN 73 -0.451 5.810 -12.645 561 HA ASN 73 HA ASN 73 0.209 8.636 -13.055 562 HB2 ASN 73 2HB ASN 73 -0.347 6.603 -14.877 563 HB3 ASN 73 1HB ASN 73 -1.831 7.547 -14.815 564 HD21 ASN 73 1HD2 ASN 73 0.564 7.169 -16.733 565 HD22 ASN 73 2HD2 ASN 73 0.916 8.796 -17.223 566 H GLY 74 H GLY 74 -1.445 7.044 -10.939 567 HA2 GLY 74 2HA GLY 74 -3.794 8.862 -11.115 568 HA3 GLY 74 1HA GLY 74 -3.957 7.192 -10.608 569 H LYS 75 H LYS 75 -1.238 9.086 -9.553 570 HA LYS 75 HA LYS 75 -0.508 9.792 -7.528 571 HB2 LYS 75 2HB LYS 75 -2.561 11.271 -7.826 572 HB3 LYS 75 1HB LYS 75 -3.380 10.187 -6.713 573 HG2 LYS 75 2HG LYS 75 -2.621 11.536 -5.105 574 HG3 LYS 75 1HG LYS 75 -1.043 10.800 -5.395 575 HD2 LYS 75 2HD LYS 75 -0.641 12.575 -7.129 576 HD3 LYS 75 1HD LYS 75 -2.122 13.358 -6.574 577 HE2 LYS 75 2HE LYS 75 -1.213 13.747 -4.419 578 HE3 LYS 75 1HE LYS 75 0.154 12.677 -4.727 579 HZ1 LYS 75 1HZ LYS 75 0.477 14.476 -6.673 580 HZ2 LYS 75 2HZ LYS 75 1.188 14.611 -5.142 581 HZ3 LYS 75 3HZ LYS 75 -0.238 15.454 -5.484 582 H CYS 76 H CYS 76 0.407 8.344 -6.295 583 HA CYS 76 HA CYS 76 -1.310 6.231 -5.156 584 HB2 CYS 76 2HB CYS 76 1.673 6.001 -5.423 585 HB3 CYS 76 1HB CYS 76 0.482 4.720 -5.250 586 HG CYS 76 HG CYS 76 -0.498 5.905 -7.955 587 H PHE 77 H PHE 77 -0.304 5.255 -3.149 588 HA PHE 77 HA PHE 77 1.003 7.221 -1.440 589 HB2 PHE 77 2HB PHE 77 -1.610 5.852 -0.760 590 HB3 PHE 77 1HB PHE 77 -0.640 6.797 0.369 591 HD1 PHE 77 1HD PHE 77 -0.109 9.216 -0.339 592 HD2 PHE 77 2HD PHE 77 -3.266 6.899 -1.992 593 HE1 PHE 77 1HE PHE 77 -1.211 11.275 -1.094 594 HE2 PHE 77 2HE PHE 77 -4.383 8.956 -2.742 595 HZ PHE 77 HZ PHE 77 -3.346 11.146 -2.322 596 H PHE 78 H PHE 78 2.724 6.220 -0.740 597 HA PHE 78 HA PHE 78 2.780 3.328 -0.523 598 HB2 PHE 78 2HB PHE 78 4.749 4.693 -1.357 599 HB3 PHE 78 1HB PHE 78 4.948 5.271 0.295 600 HD1 PHE 78 1HD PHE 78 4.875 2.187 -1.760 601 HD2 PHE 78 2HD PHE 78 6.146 4.030 1.853 602 HE1 PHE 78 1HE PHE 78 6.243 0.212 -1.242 603 HE2 PHE 78 2HE PHE 78 7.516 2.058 2.381 604 HZ PHE 78 HZ PHE 78 7.569 0.146 0.831 605 H ILE 79 H ILE 79 1.574 2.694 1.089 606 HA ILE 79 HA ILE 79 1.833 3.994 3.711 607 HB ILE 79 HB ILE 79 -0.196 3.013 4.347 608 HG12 ILE 79 2HG1 ILE 79 0.442 1.139 2.140 609 HG13 ILE 79 1HG1 ILE 79 -0.229 0.817 3.733 610 HG21 ILE 79 1HG2 ILE 79 -0.487 3.840 1.458 611 HG22 ILE 79 2HG2 ILE 79 -0.486 4.916 2.855 612 HG23 ILE 79 3HG2 ILE 79 -1.794 3.751 2.643 613 HD11 ILE 79 1HD1 ILE 79 -2.397 1.646 2.960 614 HD12 ILE 79 2HD1 ILE 79 -1.818 0.270 2.014 615 HD13 ILE 79 3HD1 ILE 79 -1.703 1.905 1.360 616 H HIS 80 H HIS 80 1.675 2.691 5.478 617 HA HIS 80 HA HIS 80 2.813 0.024 5.237 618 HB2 HIS 80 2HB HIS 80 4.686 1.236 5.919 619 HB3 HIS 80 1HB HIS 80 3.728 2.397 6.823 620 HD1 HIS 80 1HD HIS 80 5.552 -0.804 7.145 621 HD2 HIS 80 2HD HIS 80 2.968 1.568 9.364 622 HE1 HIS 80 1HE HIS 80 5.759 -1.632 9.527 623 HE2 HIS 80 2HE HIS 80 4.102 -0.250 10.847 624 H TYR 81 H TYR 81 1.063 -1.091 5.690 625 HA TYR 81 HA TYR 81 -1.233 -0.312 6.931 626 HB2 TYR 81 2HB TYR 81 0.037 -3.023 6.661 627 HB3 TYR 81 1HB TYR 81 -1.524 -2.819 7.455 628 HD1 TYR 81 1HD TYR 81 -3.438 -1.865 6.169 629 HD2 TYR 81 2HD TYR 81 0.216 -2.951 4.289 630 HE1 TYR 81 1HE TYR 81 -4.564 -1.857 3.988 631 HE2 TYR 81 2HE TYR 81 -0.905 -2.942 2.099 632 HH TYR 81 HH TYR 81 -3.256 -3.216 1.240 633 H GLN 82 H GLN 82 -1.778 0.296 8.843 634 HA GLN 82 HA GLN 82 0.013 0.267 11.038 635 HB2 GLN 82 2HB GLN 82 -2.964 0.780 10.992 636 HB3 GLN 82 1HB GLN 82 -1.895 1.137 12.341 637 HG2 GLN 82 2HG GLN 82 -0.606 2.616 10.710 638 HG3 GLN 82 1HG GLN 82 -2.006 2.456 9.653 639 HE21 GLN 82 1HE2 GLN 82 -3.866 2.355 11.896 640 HE22 GLN 82 2HE2 GLN 82 -3.988 3.973 12.485 641 H GLY 83 H GLY 83 0.365 -1.222 12.529 642 HA2 GLY 83 2HA GLY 83 -0.328 -2.898 14.076 643 HA3 GLY 83 1HA GLY 83 -1.666 -3.289 13.001 644 H TRP 84 H TRP 84 0.563 -2.971 10.831 645 HA TRP 84 HA TRP 84 1.456 -5.760 11.038 646 HB2 TRP 84 2HB TRP 84 0.792 -4.019 8.679 647 HB3 TRP 84 1HB TRP 84 1.804 -5.450 8.493 648 HD1 TRP 84 HD TRP 84 -1.684 -4.442 8.265 649 HE1 TRP 84 1HE TRP 84 -3.253 -6.481 8.371 650 HE3 TRP 84 3HE TRP 84 1.632 -7.929 9.988 651 HZ2 TRP 84 2HZ TRP 84 -3.102 -9.212 9.097 652 HZ3 TRP 84 3HZ TRP 84 0.843 -10.230 10.362 653 HH2 TRP 84 HH TRP 84 -1.473 -10.857 9.927 654 H LYS 85 H LYS 85 3.469 -5.899 9.304 655 HA LYS 85 HA LYS 85 5.459 -4.093 10.481 656 HB2 LYS 85 2HB LYS 85 6.987 -6.019 9.394 657 HB3 LYS 85 1HB LYS 85 6.350 -6.094 11.030 658 HG2 LYS 85 2HG LYS 85 4.318 -7.207 9.616 659 HG3 LYS 85 1HG LYS 85 5.722 -7.726 8.679 660 HD2 LYS 85 2HD LYS 85 5.836 -9.391 10.181 661 HD3 LYS 85 1HD LYS 85 6.567 -8.176 11.229 662 HE2 LYS 85 2HE LYS 85 4.200 -7.628 11.979 663 HE3 LYS 85 1HE LYS 85 3.712 -9.113 11.169 664 HZ1 LYS 85 1HZ LYS 85 4.065 -9.790 13.331 665 HZ2 LYS 85 2HZ LYS 85 5.408 -8.780 13.557 666 HZ3 LYS 85 3HZ LYS 85 5.548 -10.182 12.607 667 H SER 86 H SER 86 7.518 -4.065 8.879 668 HA SER 86 HA SER 86 6.811 -2.345 6.795 669 HB2 SER 86 2HB SER 86 9.403 -3.392 6.303 670 HB3 SER 86 1HB SER 86 8.967 -1.860 7.065 671 HG SER 86 HG SER 86 10.263 -3.270 8.401 672 H SER 87 H SER 87 6.712 -5.753 6.779 673 HA SER 87 HA SER 87 7.363 -6.070 3.998 674 HB2 SER 87 2HB SER 87 7.613 -7.898 5.733 675 HB3 SER 87 1HB SER 87 5.856 -8.035 5.738 676 HG SER 87 HG SER 87 6.113 -8.335 3.368 677 H TRP 88 H TRP 88 4.803 -4.742 5.598 678 HA TRP 88 HA TRP 88 2.851 -5.509 3.551 679 HB2 TRP 88 2HB TRP 88 2.603 -4.463 6.345 680 HB3 TRP 88 1HB TRP 88 1.290 -4.190 5.198 681 HD1 TRP 88 HD TRP 88 3.224 -7.103 6.840 682 HE1 TRP 88 1HE TRP 88 1.699 -9.178 6.853 683 HE3 TRP 88 3HE TRP 88 -0.710 -5.216 4.181 684 HZ2 TRP 88 2HZ TRP 88 -0.840 -9.908 5.863 685 HZ3 TRP 88 3HZ TRP 88 -2.647 -6.663 3.755 686 HH2 TRP 88 HH TRP 88 -2.713 -8.961 4.576 687 H ASP 89 H ASP 89 5.165 -3.374 3.798 688 HA ASP 89 HA ASP 89 3.920 -0.869 3.314 689 HB2 ASP 89 2HB ASP 89 6.678 -1.967 2.755 690 HB3 ASP 89 1HB ASP 89 6.217 -0.347 2.249 691 H GLU 90 H GLU 90 2.591 -0.552 1.616 692 HA GLU 90 HA GLU 90 3.440 -1.553 -1.013 693 HB2 GLU 90 2HB GLU 90 1.611 -2.958 0.266 694 HB3 GLU 90 1HB GLU 90 0.541 -1.679 -0.283 695 HG2 GLU 90 2HG GLU 90 1.769 -2.242 -2.597 696 HG3 GLU 90 1HG GLU 90 1.893 -3.815 -1.807 697 H TRP 91 H TRP 91 2.246 -0.549 -2.799 698 HA TRP 91 HA TRP 91 1.767 2.293 -2.278 699 HB2 TRP 91 2HB TRP 91 2.372 0.702 -4.765 700 HB3 TRP 91 1HB TRP 91 1.728 2.331 -4.866 701 HD1 TRP 91 HD TRP 91 4.918 0.447 -4.518 702 HE1 TRP 91 1HE TRP 91 6.879 2.093 -4.284 703 HE3 TRP 91 3HE TRP 91 2.283 4.747 -3.649 704 HZ2 TRP 91 2HZ TRP 91 7.259 4.848 -3.801 705 HZ3 TRP 91 3HZ TRP 91 3.534 6.842 -3.307 706 HH2 TRP 91 HH TRP 91 5.971 6.885 -3.376 707 H VAL 92 H VAL 92 -0.358 2.691 -1.813 708 HA VAL 92 HA VAL 92 -2.367 1.223 -3.372 709 HB VAL 92 HB VAL 92 -4.034 2.128 -1.746 710 HG11 VAL 92 1HG1 VAL 92 -1.780 0.520 -0.544 711 HG12 VAL 92 2HG1 VAL 92 -3.100 -0.123 -1.523 712 HG13 VAL 92 3HG1 VAL 92 -3.438 0.589 0.054 713 HG21 VAL 92 1HG2 VAL 92 -1.575 3.050 -0.249 714 HG22 VAL 92 2HG2 VAL 92 -3.226 3.077 0.370 715 HG23 VAL 92 3HG2 VAL 92 -2.781 4.094 -1.002 716 H GLY 93 H GLY 93 -4.159 2.449 -4.290 717 HA2 GLY 93 2HA GLY 93 -3.307 5.204 -4.946 718 HA3 GLY 93 1HA GLY 93 -4.062 4.127 -6.115 719 H TYR 94 H TYR 94 -5.173 6.533 -5.759 720 HA TYR 94 HA TYR 94 -7.122 6.949 -3.854 721 HB2 TYR 94 2HB TYR 94 -6.718 7.765 -6.678 722 HB3 TYR 94 1HB TYR 94 -8.302 8.062 -5.968 723 HD1 TYR 94 1HD TYR 94 -4.920 9.144 -6.222 724 HD2 TYR 94 2HD TYR 94 -8.421 9.422 -3.842 725 HE1 TYR 94 1HE TYR 94 -4.031 11.160 -5.171 726 HE2 TYR 94 2HE TYR 94 -7.546 11.443 -2.776 727 HH TYR 94 HH TYR 94 -5.874 12.933 -2.701 728 H ASP 95 H ASP 95 -6.985 4.387 -5.832 729 HA ASP 95 HA ASP 95 -9.880 4.053 -6.209 730 HB2 ASP 95 2HB ASP 95 -9.390 2.390 -7.817 731 HB3 ASP 95 1HB ASP 95 -8.188 3.645 -8.096 732 H ARG 96 H ARG 96 -7.178 2.918 -4.380 733 HA ARG 96 HA ARG 96 -8.840 0.774 -3.214 734 HB2 ARG 96 2HB ARG 96 -5.880 1.079 -3.585 735 HB3 ARG 96 1HB ARG 96 -6.492 0.083 -2.274 736 HG2 ARG 96 2HG ARG 96 -7.646 -1.347 -3.831 737 HG3 ARG 96 1HG ARG 96 -7.188 -0.302 -5.176 738 HD2 ARG 96 2HD ARG 96 -5.760 -2.278 -5.069 739 HD3 ARG 96 1HD ARG 96 -4.835 -0.807 -4.780 740 HE ARG 96 HE ARG 96 -5.771 -2.159 -2.394 741 HH11 ARG 96 1HH1 ARG 96 -3.181 -1.889 -4.747 742 HH12 ARG 96 2HH1 ARG 96 -1.952 -2.454 -3.645 743 HH21 ARG 96 1HH2 ARG 96 -4.134 -2.923 -0.960 744 HH22 ARG 96 2HH2 ARG 96 -2.490 -3.059 -1.521 745 H ILE 97 H ILE 97 -7.096 3.674 -2.663 746 HA ILE 97 HA ILE 97 -7.239 3.398 0.221 747 HB ILE 97 HB ILE 97 -5.208 4.335 -0.945 748 HG12 ILE 97 2HG1 ILE 97 -6.494 6.197 1.018 749 HG13 ILE 97 1HG1 ILE 97 -5.773 4.653 1.457 750 HG21 ILE 97 1HG2 ILE 97 -6.282 5.743 -2.568 751 HG22 ILE 97 2HG2 ILE 97 -5.263 6.710 -1.505 752 HG23 ILE 97 3HG2 ILE 97 -7.012 6.708 -1.284 753 HD11 ILE 97 1HD1 ILE 97 -4.253 6.504 1.892 754 HD12 ILE 97 2HD1 ILE 97 -4.336 6.973 0.193 755 HD13 ILE 97 3HD1 ILE 97 -3.612 5.429 0.651 756 H ARG 98 H ARG 98 -8.458 4.553 1.538 757 HA ARG 98 HA ARG 98 -10.326 6.542 0.459 758 HB2 ARG 98 2HB ARG 98 -11.139 4.490 2.526 759 HB3 ARG 98 1HB ARG 98 -12.177 5.593 1.636 760 HG2 ARG 98 2HG ARG 98 -10.671 3.756 -0.069 761 HG3 ARG 98 1HG ARG 98 -11.782 2.958 1.047 762 HD2 ARG 98 2HD ARG 98 -12.762 3.519 -1.187 763 HD3 ARG 98 1HD ARG 98 -13.641 4.176 0.189 764 HE ARG 98 HE ARG 98 -12.636 6.338 -0.329 765 HH11 ARG 98 1HH1 ARG 98 -12.498 3.881 -2.811 766 HH12 ARG 98 2HH1 ARG 98 -12.410 5.014 -4.124 767 HH21 ARG 98 1HH2 ARG 98 -12.516 7.850 -2.031 768 HH22 ARG 98 2HH2 ARG 98 -12.380 7.281 -3.672 769 H ALA 99 H ALA 99 -11.313 7.759 2.449 770 HA ALA 99 HA ALA 99 -9.112 8.637 4.050 771 HB1 ALA 99 1HB ALA 99 -10.798 10.267 3.222 772 HB2 ALA 99 2HB ALA 99 -10.727 10.241 4.983 773 HB3 ALA 99 3HB ALA 99 -12.045 9.427 4.143 774 H TYR 100 H TYR 100 -9.026 8.349 6.265 775 HA TYR 100 HA TYR 100 -10.585 6.096 7.218 776 HB2 TYR 100 2HB TYR 100 -8.269 5.913 7.544 777 HB3 TYR 100 1HB TYR 100 -8.134 7.577 8.070 778 HD1 TYR 100 1HD TYR 100 -8.673 8.136 10.448 779 HD2 TYR 100 2HD TYR 100 -8.904 4.144 8.998 780 HE1 TYR 100 1HE TYR 100 -8.728 7.300 12.762 781 HE2 TYR 100 2HE TYR 100 -8.972 3.300 11.302 782 HH TYR 100 HH TYR 100 -9.582 5.271 13.962 783 H ASN 101 H ASN 101 -12.575 6.919 7.577 784 HA ASN 101 HA ASN 101 -12.849 8.787 9.801 785 HB2 ASN 101 2HB ASN 101 -14.610 10.066 8.642 786 HB3 ASN 101 1HB ASN 101 -13.063 10.213 7.818 787 HD21 ASN 101 1HD2 ASN 101 -13.156 10.039 5.703 788 HD22 ASN 101 2HD2 ASN 101 -14.360 9.196 4.796 789 H GLU 102 H GLU 102 -14.957 8.708 10.758 790 HA GLU 102 HA GLU 102 -15.765 6.043 11.172 791 HB2 GLU 102 2HB GLU 102 -17.100 8.610 12.003 792 HB3 GLU 102 1HB GLU 102 -17.571 7.011 12.568 793 HG2 GLU 102 2HG GLU 102 -14.882 7.026 13.059 794 HG3 GLU 102 1HG GLU 102 -15.335 8.701 13.376 795 H GLU 103 H GLU 103 -16.599 7.944 8.565 796 HA GLU 103 HA GLU 103 -19.316 6.929 8.339 797 HB2 GLU 103 2HB GLU 103 -18.623 9.265 7.617 798 HB3 GLU 103 1HB GLU 103 -17.800 8.505 6.261 799 HG2 GLU 103 2HG GLU 103 -20.065 7.423 5.748 800 HG3 GLU 103 1HG GLU 103 -20.734 8.630 6.846 801 H ASN 104 H ASN 104 -16.195 6.577 6.624 802 HA ASN 104 HA ASN 104 -17.351 4.503 4.936 803 HB2 ASN 104 2HB ASN 104 -15.404 4.597 3.641 804 HB3 ASN 104 1HB ASN 104 -15.612 6.258 4.181 805 HD21 ASN 104 1HD2 ASN 104 -13.370 4.038 3.642 806 HD22 ASN 104 2HD2 ASN 104 -12.186 4.501 4.810 807 H ILE 105 H ILE 105 -15.288 4.819 7.720 808 HA ILE 105 HA ILE 105 -14.271 2.185 7.780 809 HB ILE 105 HB ILE 105 -14.844 4.050 10.049 810 HG12 ILE 105 2HG1 ILE 105 -12.264 3.497 8.576 811 HG13 ILE 105 1HG1 ILE 105 -13.267 4.935 8.358 812 HG21 ILE 105 1HG2 ILE 105 -13.283 2.723 11.344 813 HG22 ILE 105 2HG2 ILE 105 -13.065 1.625 9.979 814 HG23 ILE 105 3HG2 ILE 105 -14.629 1.729 10.791 815 HD11 ILE 105 1HD1 ILE 105 -12.923 5.516 10.686 816 HD12 ILE 105 2HD1 ILE 105 -11.398 5.375 9.813 817 HD13 ILE 105 3HD1 ILE 105 -11.918 4.085 10.897 818 H ALA 106 H ALA 106 -17.288 3.632 8.500 819 HA ALA 106 HA ALA 106 -18.433 1.851 10.304 820 HB1 ALA 106 1HB ALA 106 -19.442 3.988 9.707 821 HB2 ALA 106 2HB ALA 106 -20.582 2.668 9.453 822 HB3 ALA 106 3HB ALA 106 -19.754 3.396 8.076 823 H MET 107 H MET 107 -17.808 1.646 6.895 824 HA MET 107 HA MET 107 -19.420 -0.714 6.527 825 HB2 MET 107 2HB MET 107 -18.547 1.073 4.735 826 HB3 MET 107 1HB MET 107 -17.213 -0.065 4.629 827 HG2 MET 107 2HG MET 107 -19.225 -0.287 3.039 828 HG3 MET 107 1HG MET 107 -18.518 -1.728 3.768 829 HE1 MET 107 1HE MET 107 -22.325 -2.617 3.611 830 HE2 MET 107 2HE MET 107 -20.691 -3.176 3.247 831 HE3 MET 107 3HE MET 107 -21.340 -1.755 2.430 832 H LYS 108 H LYS 108 -15.959 0.067 6.880 833 HA LYS 108 HA LYS 108 -14.836 -2.421 6.531 834 HB2 LYS 108 2HB LYS 108 -13.599 -0.263 6.881 835 HB3 LYS 108 1HB LYS 108 -13.960 -0.402 8.599 836 HG2 LYS 108 2HG LYS 108 -12.767 -2.817 7.532 837 HG3 LYS 108 1HG LYS 108 -11.744 -1.401 7.297 838 HD2 LYS 108 2HD LYS 108 -12.958 -1.619 9.963 839 HD3 LYS 108 1HD LYS 108 -11.812 -2.900 9.558 840 HE2 LYS 108 2HE LYS 108 -10.153 -1.179 8.952 841 HE3 LYS 108 1HE LYS 108 -11.298 0.069 9.441 842 HZ1 LYS 108 1HZ LYS 108 -10.035 -1.980 11.175 843 HZ2 LYS 108 2HZ LYS 108 -11.284 -0.958 11.690 844 HZ3 LYS 108 3HZ LYS 108 -9.792 -0.298 11.218 845 H LYS 109 H LYS 109 -16.266 -1.036 9.415 846 HA LYS 109 HA LYS 109 -15.752 -3.112 11.240 847 HB2 LYS 109 2HB LYS 109 -18.355 -1.579 11.179 848 HB3 LYS 109 1HB LYS 109 -17.536 -2.255 12.579 849 HG2 LYS 109 2HG LYS 109 -16.425 -0.005 10.931 850 HG3 LYS 109 1HG LYS 109 -17.422 0.231 12.366 851 HD2 LYS 109 2HD LYS 109 -15.630 -1.411 13.419 852 HD3 LYS 109 1HD LYS 109 -14.632 -0.750 12.121 853 HE2 LYS 109 2HE LYS 109 -15.062 1.507 12.903 854 HE3 LYS 109 1HE LYS 109 -16.148 0.892 14.147 855 HZ1 LYS 109 1HZ LYS 109 -13.290 0.140 14.002 856 HZ2 LYS 109 2HZ LYS 109 -14.361 -0.083 15.296 857 HZ3 LYS 109 3HZ LYS 109 -13.841 1.477 14.885 858 H ARG 110 H ARG 110 -18.692 -2.560 9.368 859 HA ARG 110 HA ARG 110 -19.924 -5.031 9.886 860 HB2 ARG 110 2HB ARG 110 -20.981 -2.924 8.991 861 HB3 ARG 110 1HB ARG 110 -20.220 -3.267 7.446 862 HG2 ARG 110 2HG ARG 110 -22.352 -4.074 7.166 863 HG3 ARG 110 1HG ARG 110 -21.442 -5.524 7.608 864 HD2 ARG 110 2HD ARG 110 -22.478 -5.731 9.589 865 HD3 ARG 110 1HD ARG 110 -22.569 -3.986 9.843 866 HE ARG 110 HE ARG 110 -24.514 -3.932 8.438 867 HH11 ARG 110 1HH1 ARG 110 -23.457 -7.107 9.469 868 HH12 ARG 110 2HH1 ARG 110 -24.967 -7.876 9.070 869 HH21 ARG 110 1HH2 ARG 110 -26.489 -4.924 7.928 870 HH22 ARG 110 2HH2 ARG 110 -26.694 -6.630 8.181 871 H LEU 111 H LEU 111 -17.643 -3.929 7.573 872 HA LEU 111 HA LEU 111 -17.747 -6.053 5.738 873 HB2 LEU 111 2HB LEU 111 -15.995 -3.760 6.335 874 HB3 LEU 111 1HB LEU 111 -15.285 -5.043 5.398 875 HG LEU 111 HG LEU 111 -17.847 -3.736 4.710 876 HD11 LEU 111 1HD1 LEU 111 -15.099 -3.124 3.658 877 HD12 LEU 111 2HD1 LEU 111 -16.096 -2.054 4.644 878 HD13 LEU 111 3HD1 LEU 111 -16.600 -2.468 3.006 879 HD21 LEU 111 1HD2 LEU 111 -17.473 -4.647 2.493 880 HD22 LEU 111 2HD2 LEU 111 -17.635 -5.889 3.735 881 HD23 LEU 111 3HD2 LEU 111 -16.042 -5.472 3.107 882 H ALA 112 H ALA 112 -15.657 -5.442 8.561 883 HA ALA 112 HA ALA 112 -14.165 -7.819 7.996 884 HB1 ALA 112 1HB ALA 112 -14.315 -6.224 10.568 885 HB2 ALA 112 2HB ALA 112 -13.155 -5.968 9.261 886 HB3 ALA 112 3HB ALA 112 -13.124 -7.468 10.190 887 H ASN 113 H ASN 113 -17.201 -7.221 9.153 888 HA ASN 113 HA ASN 113 -17.335 -9.668 10.737 889 HB2 ASN 113 2HB ASN 113 -19.024 -7.237 10.431 890 HB3 ASN 113 1HB ASN 113 -19.828 -8.738 10.876 891 HD21 ASN 113 1HD2 ASN 113 -17.581 -6.285 11.866 892 HD22 ASN 113 2HD2 ASN 113 -17.504 -6.748 13.532 893 H GLU 114 H GLU 114 -18.481 -8.246 7.729 894 HA GLU 114 HA GLU 114 -20.007 -10.654 7.100 895 HB2 GLU 114 2HB GLU 114 -19.927 -7.935 5.807 896 HB3 GLU 114 1HB GLU 114 -20.784 -9.301 5.105 897 HG2 GLU 114 2HG GLU 114 -21.664 -9.210 7.737 898 HG3 GLU 114 1HG GLU 114 -21.567 -7.521 7.241 899 H ALA 115 H ALA 115 -17.097 -8.913 6.037 900 HA ALA 115 HA ALA 115 -16.872 -10.627 3.680 901 HB1 ALA 115 1HB ALA 115 -14.885 -8.669 4.834 902 HB2 ALA 115 2HB ALA 115 -16.099 -8.285 3.611 903 HB3 ALA 115 3HB ALA 115 -14.806 -9.428 3.245 904 H LYS 116 H LYS 116 -16.575 -11.161 6.797 905 HA LYS 116 HA LYS 116 -14.115 -12.747 6.672 906 HB2 LYS 116 2HB LYS 116 -13.913 -12.453 8.946 907 HB3 LYS 116 1HB LYS 116 -14.712 -10.953 8.500 908 HG2 LYS 116 2HG LYS 116 -16.626 -11.494 9.568 909 HG3 LYS 116 1HG LYS 116 -16.469 -13.217 9.228 910 HD2 LYS 116 2HD LYS 116 -14.782 -11.722 11.238 911 HD3 LYS 116 1HD LYS 116 -16.248 -12.616 11.642 912 HE2 LYS 116 2HE LYS 116 -15.153 -14.634 10.583 913 HE3 LYS 116 1HE LYS 116 -13.664 -13.695 10.543 914 HZ1 LYS 116 1HZ LYS 116 -15.223 -14.317 12.992 915 HZ2 LYS 116 2HZ LYS 116 -13.747 -13.482 12.934 916 HZ3 LYS 116 3HZ LYS 116 -13.816 -15.122 12.505 917 H GLU 117 H GLU 117 -17.419 -12.919 6.421 918 HA GLU 117 HA GLU 117 -17.461 -15.725 7.247 919 HB2 GLU 117 2HB GLU 117 -19.985 -15.378 7.283 920 HB3 GLU 117 1HB GLU 117 -19.061 -14.588 8.549 921 HG2 GLU 117 2HG GLU 117 -20.057 -12.682 8.022 922 HG3 GLU 117 1HG GLU 117 -19.235 -12.718 6.464 923 H ALA 118 H ALA 118 -19.875 -16.286 5.921 924 HA ALA 118 HA ALA 118 -19.661 -15.784 3.116 925 HB1 ALA 118 1HB ALA 118 -18.895 -18.528 4.121 926 HB2 ALA 118 2HB ALA 118 -17.823 -17.383 3.316 927 HB3 ALA 118 3HB ALA 118 -19.172 -18.100 2.435 928 H LYS 119 H LYS 119 -21.664 -15.339 4.860 929 HA LYS 119 HA LYS 119 -23.900 -15.586 5.119 930 HB2 LYS 119 2HB LYS 119 -23.799 -16.174 2.655 931 HB3 LYS 119 1HB LYS 119 -23.788 -17.864 3.130 932 HG2 LYS 119 2HG LYS 119 -25.965 -17.452 4.303 933 HG3 LYS 119 1HG LYS 119 -25.978 -15.853 3.558 934 HD2 LYS 119 2HD LYS 119 -27.301 -17.464 2.275 935 HD3 LYS 119 1HD LYS 119 -25.927 -16.856 1.347 936 HE2 LYS 119 2HE LYS 119 -24.672 -18.896 1.938 937 HE3 LYS 119 1HE LYS 119 -26.093 -19.505 2.786 938 HZ1 LYS 119 1HZ LYS 119 -26.312 -18.701 -0.033 939 HZ2 LYS 119 2HZ LYS 119 -27.219 -19.842 0.833 940 HZ3 LYS 119 3HZ LYS 119 -25.631 -20.203 0.354 941 H LYS 120 H LYS 120 -25.552 -17.214 5.961 942 HA LYS 120 HA LYS 120 -24.286 -18.784 7.993 943 HB2 LYS 120 2HB LYS 120 -26.451 -17.516 8.283 944 HB3 LYS 120 1HB LYS 120 -27.223 -18.741 7.285 945 HG2 LYS 120 2HG LYS 120 -25.678 -19.882 9.467 946 HG3 LYS 120 1HG LYS 120 -26.948 -18.795 10.024 947 HD2 LYS 120 2HD LYS 120 -28.525 -20.293 9.567 948 HD3 LYS 120 1HD LYS 120 -27.914 -20.526 7.927 949 HE2 LYS 120 2HE LYS 120 -26.350 -21.751 10.125 950 HE3 LYS 120 1HE LYS 120 -27.926 -22.464 9.784 951 HZ1 LYS 120 1HZ LYS 120 -26.157 -23.541 8.527 952 HZ2 LYS 120 2HZ LYS 120 -25.739 -22.071 7.800 953 HZ3 LYS 120 3HZ LYS 120 -27.252 -22.776 7.481 Start of MODEL 20 1 H MET 1 1HT MET 1 -11.320 17.154 -6.466 2 HA MET 1 HA MET 1 -12.450 14.645 -5.392 3 HB2 MET 1 2HB MET 1 -9.764 15.793 -5.757 4 HB3 MET 1 1HB MET 1 -10.050 15.092 -4.170 5 HG2 MET 1 2HG MET 1 -10.384 13.692 -6.814 6 HG3 MET 1 1HG MET 1 -9.056 13.475 -5.674 7 HE1 MET 1 1HE MET 1 -11.118 10.106 -5.466 8 HE2 MET 1 2HE MET 1 -9.497 10.772 -5.661 9 HE3 MET 1 3HE MET 1 -10.738 11.101 -6.872 10 H VAL 2 H VAL 2 -13.327 14.612 -3.501 11 HA VAL 2 HA VAL 2 -13.145 17.033 -1.849 12 HB VAL 2 HB VAL 2 -15.413 16.151 -0.927 13 HG11 VAL 2 1HG1 VAL 2 -15.196 17.429 -3.650 14 HG12 VAL 2 2HG1 VAL 2 -15.141 18.263 -2.096 15 HG13 VAL 2 3HG1 VAL 2 -16.623 17.463 -2.615 16 HG21 VAL 2 1HG2 VAL 2 -15.399 14.894 -3.671 17 HG22 VAL 2 2HG2 VAL 2 -16.783 14.995 -2.582 18 HG23 VAL 2 3HG2 VAL 2 -15.383 14.021 -2.138 19 H ASP 3 H ASP 3 -13.517 16.670 0.395 20 HA ASP 3 HA ASP 3 -12.721 15.921 2.358 21 HB2 ASP 3 2HB ASP 3 -13.414 13.566 2.998 22 HB3 ASP 3 1HB ASP 3 -14.684 14.706 2.591 23 H LEU 4 H LEU 4 -10.748 16.070 0.632 24 HA LEU 4 HA LEU 4 -9.131 13.641 0.963 25 HB2 LEU 4 2HB LEU 4 -7.780 14.407 -0.789 26 HB3 LEU 4 1HB LEU 4 -9.404 14.837 -1.293 27 HG LEU 4 HG LEU 4 -8.471 17.063 0.117 28 HD11 LEU 4 1HD1 LEU 4 -6.391 17.601 -1.120 29 HD12 LEU 4 2HD1 LEU 4 -6.361 15.948 -1.728 30 HD13 LEU 4 3HD1 LEU 4 -6.203 16.255 0.004 31 HD21 LEU 4 1HD2 LEU 4 -8.593 16.571 -2.854 32 HD22 LEU 4 2HD2 LEU 4 -8.578 18.149 -2.063 33 HD23 LEU 4 3HD2 LEU 4 -9.943 17.057 -1.833 34 H GLU 5 H GLU 5 -9.834 16.473 2.390 35 HA GLU 5 HA GLU 5 -8.430 18.185 3.354 36 HB2 GLU 5 2HB GLU 5 -8.482 16.252 5.574 37 HB3 GLU 5 1HB GLU 5 -9.113 17.888 5.482 38 HG2 GLU 5 2HG GLU 5 -10.601 16.092 3.783 39 HG3 GLU 5 1HG GLU 5 -10.558 15.525 5.450 40 H GLN 6 H GLN 6 -7.216 15.111 4.629 41 HA GLN 6 HA GLN 6 -4.524 15.635 3.846 42 HB2 GLN 6 2HB GLN 6 -3.516 16.149 6.004 43 HB3 GLN 6 1HB GLN 6 -4.675 17.389 5.548 44 HG2 GLN 6 2HG GLN 6 -5.944 17.018 7.337 45 HG3 GLN 6 1HG GLN 6 -5.855 15.266 7.151 46 HE21 GLN 6 1HE2 GLN 6 -2.939 15.266 7.217 47 HE22 GLN 6 2HE2 GLN 6 -2.492 15.536 8.868 48 H GLU 7 H GLU 7 -6.790 13.589 4.668 49 HA GLU 7 HA GLU 7 -5.413 11.706 6.320 50 HB2 GLU 7 2HB GLU 7 -7.392 10.268 5.109 51 HB3 GLU 7 1HB GLU 7 -7.605 11.239 6.562 52 HG2 GLU 7 2HG GLU 7 -7.862 12.669 4.001 53 HG3 GLU 7 1HG GLU 7 -9.128 11.501 4.368 54 H PHE 8 H PHE 8 -5.063 12.563 3.119 55 HA PHE 8 HA PHE 8 -3.845 9.974 2.467 56 HB2 PHE 8 2HB PHE 8 -4.893 11.686 0.269 57 HB3 PHE 8 1HB PHE 8 -4.742 9.936 0.340 58 HD1 PHE 8 1HD PHE 8 -6.963 12.583 0.271 59 HD2 PHE 8 2HD PHE 8 -6.360 8.817 2.158 60 HE1 PHE 8 1HE PHE 8 -9.363 12.446 0.746 61 HE2 PHE 8 2HE PHE 8 -8.767 8.679 2.628 62 HZ PHE 8 HZ PHE 8 -10.261 10.497 1.939 63 H ALA 9 H ALA 9 -2.214 11.457 3.619 64 HA ALA 9 HA ALA 9 -0.594 12.595 1.573 65 HB1 ALA 9 1HB ALA 9 -2.026 14.471 2.170 66 HB2 ALA 9 2HB ALA 9 -0.356 14.761 2.659 67 HB3 ALA 9 3HB ALA 9 -1.562 14.298 3.862 68 H LEU 10 H LEU 10 1.021 13.983 3.358 69 HA LEU 10 HA LEU 10 2.864 12.018 4.041 70 HB2 LEU 10 2HB LEU 10 2.508 14.868 4.861 71 HB3 LEU 10 1HB LEU 10 3.883 13.915 5.384 72 HG LEU 10 HG LEU 10 4.077 13.510 2.730 73 HD11 LEU 10 1HD1 LEU 10 2.129 14.860 2.187 74 HD12 LEU 10 2HD1 LEU 10 3.596 15.610 1.561 75 HD13 LEU 10 3HD1 LEU 10 2.836 16.245 3.019 76 HD21 LEU 10 1HD2 LEU 10 5.833 14.367 4.220 77 HD22 LEU 10 2HD2 LEU 10 5.090 15.963 4.172 78 HD23 LEU 10 3HD2 LEU 10 5.764 15.266 2.701 79 H GLY 11 H GLY 11 2.490 10.451 5.505 80 HA2 GLY 11 2HA GLY 11 2.151 9.461 7.545 81 HA3 GLY 11 1HA GLY 11 2.466 11.032 8.267 82 H GLY 12 H GLY 12 -0.120 10.358 6.005 83 HA2 GLY 12 2HA GLY 12 -2.038 11.318 7.966 84 HA3 GLY 12 1HA GLY 12 -2.341 11.017 6.261 85 H ARG 13 H ARG 13 -3.914 10.245 8.564 86 HA ARG 13 HA ARG 13 -3.638 7.359 8.765 87 HB2 ARG 13 2HB ARG 13 -4.847 9.453 10.306 88 HB3 ARG 13 1HB ARG 13 -6.095 8.298 9.862 89 HG2 ARG 13 2HG ARG 13 -4.795 6.499 10.861 90 HG3 ARG 13 1HG ARG 13 -3.523 7.650 11.291 91 HD2 ARG 13 2HD ARG 13 -5.201 8.912 12.613 92 HD3 ARG 13 1HD ARG 13 -6.374 7.645 12.268 93 HE ARG 13 HE ARG 13 -5.082 6.144 13.605 94 HH11 ARG 13 1HH1 ARG 13 -4.021 9.484 13.731 95 HH12 ARG 13 2HH1 ARG 13 -3.230 9.292 15.271 96 HH21 ARG 13 1HH2 ARG 13 -4.031 5.911 15.626 97 HH22 ARG 13 2HH2 ARG 13 -3.220 7.278 16.331 98 H CYS 14 H CYS 14 -4.375 6.222 7.031 99 HA CYS 14 HA CYS 14 -6.997 7.001 5.958 100 HB2 CYS 14 2HB CYS 14 -6.204 6.450 3.710 101 HB3 CYS 14 1HB CYS 14 -5.222 7.730 4.416 102 HG CYS 14 HG CYS 14 -3.254 6.400 3.297 103 H LEU 15 H LEU 15 -7.621 5.170 4.351 104 HA LEU 15 HA LEU 15 -7.172 2.540 5.583 105 HB2 LEU 15 2HB LEU 15 -9.742 3.833 4.686 106 HB3 LEU 15 1HB LEU 15 -9.577 2.090 4.751 107 HG LEU 15 HG LEU 15 -9.151 3.878 7.140 108 HD11 LEU 15 1HD1 LEU 15 -11.418 4.160 6.456 109 HD12 LEU 15 2HD1 LEU 15 -11.392 3.071 7.848 110 HD13 LEU 15 3HD1 LEU 15 -11.613 2.422 6.221 111 HD21 LEU 15 1HD2 LEU 15 -9.439 1.800 8.398 112 HD22 LEU 15 2HD2 LEU 15 -8.068 1.699 7.293 113 HD23 LEU 15 3HD2 LEU 15 -9.590 0.905 6.885 114 H ALA 16 H ALA 16 -7.406 0.790 3.956 115 HA ALA 16 HA ALA 16 -7.468 1.681 1.205 116 HB1 ALA 16 1HB ALA 16 -5.268 0.754 0.633 117 HB2 ALA 16 2HB ALA 16 -4.961 0.447 2.341 118 HB3 ALA 16 3HB ALA 16 -5.146 2.103 1.762 119 H PHE 17 H PHE 17 -8.024 0.120 -0.188 120 HA PHE 17 HA PHE 17 -9.171 -2.219 1.026 121 HB2 PHE 17 2HB PHE 17 -9.263 -0.986 -1.695 122 HB3 PHE 17 1HB PHE 17 -9.794 -2.650 -1.470 123 HD1 PHE 17 1HD PHE 17 -10.518 0.865 -0.753 124 HD2 PHE 17 2HD PHE 17 -11.758 -3.163 -0.174 125 HE1 PHE 17 1HE PHE 17 -12.731 1.652 -0.010 126 HE2 PHE 17 2HE PHE 17 -13.968 -2.386 0.567 127 HZ PHE 17 HZ PHE 17 -14.459 0.022 0.649 128 H HIS 18 H HIS 18 -7.791 -3.729 1.579 129 HA HIS 18 HA HIS 18 -5.849 -4.678 -0.413 130 HB2 HIS 18 2HB HIS 18 -5.141 -4.143 2.031 131 HB3 HIS 18 1HB HIS 18 -6.003 -5.622 2.451 132 HD2 HIS 18 2HD HIS 18 -3.254 -4.827 -0.291 133 HE1 HIS 18 1HE HIS 18 -2.342 -8.439 1.720 134 HE2 HIS 18 2HE HIS 18 -1.521 -6.741 0.018 135 H GLY 19 H GLY 19 -6.796 -6.108 -1.687 136 HA2 GLY 19 2HA GLY 19 -7.889 -8.035 -2.327 137 HA3 GLY 19 1HA GLY 19 -8.005 -8.475 -0.622 138 HA PRO 20 HA PRO 20 -12.219 -7.099 -1.250 139 HB2 PRO 20 2HB PRO 20 -13.268 -8.679 0.707 140 HB3 PRO 20 1HB PRO 20 -12.862 -9.247 -0.913 141 HG2 PRO 20 2HG PRO 20 -11.602 -9.923 1.601 142 HG3 PRO 20 1HG PRO 20 -11.283 -10.594 -0.006 143 HD2 PRO 20 2HD PRO 20 -9.820 -8.506 1.472 144 HD3 PRO 20 1HD PRO 20 -9.284 -9.506 0.105 145 H LEU 21 H LEU 21 -10.277 -6.470 1.533 146 HA LEU 21 HA LEU 21 -12.551 -4.972 2.653 147 HB2 LEU 21 2HB LEU 21 -10.613 -6.737 4.063 148 HB3 LEU 21 1HB LEU 21 -11.329 -5.381 4.916 149 HG LEU 21 HG LEU 21 -12.699 -7.795 3.774 150 HD11 LEU 21 1HD1 LEU 21 -11.825 -7.940 6.059 151 HD12 LEU 21 2HD1 LEU 21 -13.587 -7.987 6.025 152 HD13 LEU 21 3HD1 LEU 21 -12.755 -6.507 6.498 153 HD21 LEU 21 1HD2 LEU 21 -14.837 -6.727 4.378 154 HD22 LEU 21 2HD2 LEU 21 -14.017 -5.895 3.057 155 HD23 LEU 21 3HD2 LEU 21 -13.976 -5.220 4.681 156 H MET 22 H MET 22 -11.975 -3.397 4.268 157 HA MET 22 HA MET 22 -9.936 -1.586 3.275 158 HB2 MET 22 2HB MET 22 -12.554 -1.295 4.330 159 HB3 MET 22 1HB MET 22 -11.466 -0.606 5.529 160 HG2 MET 22 2HG MET 22 -10.512 0.871 3.859 161 HG3 MET 22 1HG MET 22 -11.532 0.152 2.614 162 HE1 MET 22 1HE MET 22 -14.292 -0.248 4.122 163 HE2 MET 22 2HE MET 22 -14.182 0.449 2.505 164 HE3 MET 22 3HE MET 22 -15.116 1.267 3.756 165 H TYR 23 H TYR 23 -7.986 -1.548 4.250 166 HA TYR 23 HA TYR 23 -7.854 -2.401 7.076 167 HB2 TYR 23 2HB TYR 23 -5.846 -2.704 4.844 168 HB3 TYR 23 1HB TYR 23 -5.423 -2.933 6.537 169 HD1 TYR 23 1HD TYR 23 -6.087 -4.896 7.720 170 HD2 TYR 23 2HD TYR 23 -7.368 -4.274 3.715 171 HE1 TYR 23 1HE TYR 23 -6.814 -7.240 7.597 172 HE2 TYR 23 2HE TYR 23 -8.093 -6.619 3.571 173 HH TYR 23 HH TYR 23 -7.473 -8.806 4.741 174 H GLU 24 H GLU 24 -6.591 -1.237 8.519 175 HA GLU 24 HA GLU 24 -6.431 1.555 8.112 176 HB2 GLU 24 2HB GLU 24 -5.081 -0.173 10.196 177 HB3 GLU 24 1HB GLU 24 -5.231 1.577 10.274 178 HG2 GLU 24 2HG GLU 24 -7.011 1.081 11.546 179 HG3 GLU 24 1HG GLU 24 -7.811 0.923 9.984 180 H ALA 25 H ALA 25 -4.763 2.873 7.501 181 HA ALA 25 HA ALA 25 -2.115 1.672 7.153 182 HB1 ALA 25 1HB ALA 25 -3.303 1.352 5.042 183 HB2 ALA 25 2HB ALA 25 -1.940 2.455 4.865 184 HB3 ALA 25 3HB ALA 25 -3.584 3.087 4.941 185 H LYS 26 H LYS 26 -0.415 3.102 6.997 186 HA LYS 26 HA LYS 26 -0.992 5.928 7.598 187 HB2 LYS 26 2HB LYS 26 0.020 4.477 9.515 188 HB3 LYS 26 1HB LYS 26 1.491 4.504 8.550 189 HG2 LYS 26 2HG LYS 26 1.435 6.978 8.603 190 HG3 LYS 26 1HG LYS 26 0.030 6.887 9.665 191 HD2 LYS 26 2HD LYS 26 1.806 7.172 11.142 192 HD3 LYS 26 1HD LYS 26 1.532 5.431 11.173 193 HE2 LYS 26 2HE LYS 26 3.449 4.974 9.963 194 HE3 LYS 26 1HE LYS 26 3.498 6.582 9.241 195 HZ1 LYS 26 1HZ LYS 26 4.142 7.487 11.396 196 HZ2 LYS 26 2HZ LYS 26 5.244 6.306 10.883 197 HZ3 LYS 26 3HZ LYS 26 4.097 5.934 12.079 198 H ILE 27 H ILE 27 -0.494 7.043 5.854 199 HA ILE 27 HA ILE 27 1.167 6.010 3.787 200 HB ILE 27 HB ILE 27 0.190 8.843 4.117 201 HG12 ILE 27 2HG1 ILE 27 -1.151 6.903 2.302 202 HG13 ILE 27 1HG1 ILE 27 -1.447 6.716 4.029 203 HG21 ILE 27 1HG2 ILE 27 1.966 8.616 2.472 204 HG22 ILE 27 2HG2 ILE 27 0.427 8.914 1.661 205 HG23 ILE 27 3HG2 ILE 27 1.104 7.285 1.698 206 HD11 ILE 27 1HD1 ILE 27 -3.180 8.045 3.051 207 HD12 ILE 27 2HD1 ILE 27 -1.996 9.150 2.352 208 HD13 ILE 27 3HD1 ILE 27 -2.202 9.066 4.103 209 H LEU 28 H LEU 28 3.212 6.109 3.478 210 HA LEU 28 HA LEU 28 4.840 7.758 5.254 211 HB2 LEU 28 2HB LEU 28 5.051 5.137 4.539 212 HB3 LEU 28 1HB LEU 28 6.155 5.892 3.405 213 HG LEU 28 HG LEU 28 7.029 7.082 5.572 214 HD11 LEU 28 1HD1 LEU 28 5.933 4.498 6.658 215 HD12 LEU 28 2HD1 LEU 28 5.336 6.113 7.039 216 HD13 LEU 28 3HD1 LEU 28 6.964 5.640 7.520 217 HD21 LEU 28 1HD2 LEU 28 8.392 5.717 4.106 218 HD22 LEU 28 2HD2 LEU 28 7.707 4.245 4.800 219 HD23 LEU 28 3HD2 LEU 28 8.719 5.298 5.788 220 H LYS 29 H LYS 29 4.101 7.201 1.861 221 HA LYS 29 HA LYS 29 5.443 9.729 1.284 222 HB2 LYS 29 2HB LYS 29 5.819 7.860 -0.911 223 HB3 LYS 29 1HB LYS 29 6.974 8.925 -0.133 224 HG2 LYS 29 2HG LYS 29 7.289 7.245 1.639 225 HG3 LYS 29 1HG LYS 29 6.185 6.167 0.780 226 HD2 LYS 29 2HD LYS 29 7.661 6.066 -1.114 227 HD3 LYS 29 1HD LYS 29 8.704 7.309 -0.424 228 HE2 LYS 29 2HE LYS 29 9.178 5.791 1.471 229 HE3 LYS 29 1HE LYS 29 8.237 4.540 0.658 230 HZ1 LYS 29 1HZ LYS 29 10.456 4.102 0.099 231 HZ2 LYS 29 2HZ LYS 29 10.816 5.731 -0.183 232 HZ3 LYS 29 3HZ LYS 29 9.831 4.880 -1.274 233 H ILE 30 H ILE 30 4.664 10.823 -0.471 234 HA ILE 30 HA ILE 30 2.027 9.964 -1.452 235 HB ILE 30 HB ILE 30 3.223 12.741 -1.651 236 HG12 ILE 30 2HG1 ILE 30 3.111 12.406 0.673 237 HG13 ILE 30 1HG1 ILE 30 1.623 13.258 0.270 238 HG21 ILE 30 1HG2 ILE 30 0.395 11.751 -1.899 239 HG22 ILE 30 2HG2 ILE 30 1.435 12.308 -3.210 240 HG23 ILE 30 3HG2 ILE 30 0.898 13.441 -1.968 241 HD11 ILE 30 1HD1 ILE 30 1.256 11.446 1.855 242 HD12 ILE 30 2HD1 ILE 30 1.874 10.293 0.674 243 HD13 ILE 30 3HD1 ILE 30 0.391 11.187 0.342 244 H TRP 31 H TRP 31 1.580 10.214 -3.748 245 HA TRP 31 HA TRP 31 4.069 10.305 -5.329 246 HB2 TRP 31 2HB TRP 31 3.465 8.018 -5.176 247 HB3 TRP 31 1HB TRP 31 1.772 8.373 -5.513 248 HD1 TRP 31 HD TRP 31 1.067 8.545 -8.024 249 HE1 TRP 31 1HE TRP 31 2.314 8.138 -10.252 250 HE3 TRP 31 3HE TRP 31 5.752 8.419 -6.197 251 HZ2 TRP 31 2HZ TRP 31 4.968 7.810 -11.081 252 HZ3 TRP 31 3HZ TRP 31 7.623 8.063 -7.758 253 HH2 TRP 31 HH TRP 31 7.228 7.764 -10.143 254 H ASP 32 H ASP 32 3.997 11.713 -6.971 255 HA ASP 32 HA ASP 32 1.356 12.629 -7.899 256 HB2 ASP 32 2HB ASP 32 3.085 14.287 -6.887 257 HB3 ASP 32 1HB ASP 32 3.915 14.111 -8.432 258 HA PRO 33 HA PRO 33 2.616 10.236 -11.506 259 HB2 PRO 33 2HB PRO 33 0.207 10.122 -12.658 260 HB3 PRO 33 1HB PRO 33 0.585 9.188 -11.203 261 HG2 PRO 33 2HG PRO 33 -0.871 11.802 -11.448 262 HG3 PRO 33 1HG PRO 33 -1.301 10.369 -10.495 263 HD2 PRO 33 2HD PRO 33 -0.056 12.542 -9.426 264 HD3 PRO 33 1HD PRO 33 0.164 10.894 -8.804 265 H SER 34 H SER 34 2.502 13.365 -11.334 266 HA SER 34 HA SER 34 1.874 13.923 -14.140 267 HB2 SER 34 2HB SER 34 2.826 16.103 -12.350 268 HB3 SER 34 1HB SER 34 1.547 16.117 -13.562 269 HG SER 34 HG SER 34 1.436 15.567 -10.871 270 H SER 35 H SER 35 4.457 14.132 -11.771 271 HA SER 35 HA SER 35 6.397 14.554 -13.924 272 HB2 SER 35 2HB SER 35 7.847 15.090 -11.801 273 HB3 SER 35 1HB SER 35 6.677 16.280 -12.381 274 HG SER 35 HG SER 35 6.137 16.128 -10.289 275 H LYS 36 H LYS 36 5.290 12.450 -11.417 276 HA LYS 36 HA LYS 36 5.562 10.240 -11.119 277 HB2 LYS 36 2HB LYS 36 6.504 8.935 -12.689 278 HB3 LYS 36 1HB LYS 36 6.667 10.424 -13.604 279 HG2 LYS 36 2HG LYS 36 8.911 10.638 -13.071 280 HG3 LYS 36 1HG LYS 36 8.795 9.472 -11.752 281 HD2 LYS 36 2HD LYS 36 8.407 8.781 -14.663 282 HD3 LYS 36 1HD LYS 36 9.934 8.595 -13.796 283 HE2 LYS 36 2HE LYS 36 9.003 6.970 -12.338 284 HE3 LYS 36 1HE LYS 36 7.364 7.305 -12.902 285 HZ1 LYS 36 1HZ LYS 36 7.684 6.141 -14.821 286 HZ2 LYS 36 2HZ LYS 36 8.706 5.260 -13.790 287 HZ3 LYS 36 3HZ LYS 36 9.360 6.409 -14.855 288 H MET 37 H MET 37 6.539 12.463 -9.852 289 HA MET 37 HA MET 37 8.835 11.526 -8.378 290 HB2 MET 37 2HB MET 37 7.535 14.238 -8.784 291 HB3 MET 37 1HB MET 37 8.634 13.957 -7.438 292 HG2 MET 37 2HG MET 37 10.444 13.982 -8.742 293 HG3 MET 37 1HG MET 37 9.654 13.077 -10.026 294 HE1 MET 37 1HE MET 37 8.322 16.476 -8.510 295 HE2 MET 37 2HE MET 37 9.108 17.653 -9.563 296 HE3 MET 37 3HE MET 37 10.069 16.702 -8.432 297 H TYR 38 H TYR 38 8.573 11.597 -6.038 298 HA TYR 38 HA TYR 38 5.800 11.462 -5.142 299 HB2 TYR 38 2HB TYR 38 6.259 9.428 -3.858 300 HB3 TYR 38 1HB TYR 38 6.504 9.153 -5.575 301 HD1 TYR 38 1HD TYR 38 7.980 9.058 -2.299 302 HD2 TYR 38 2HD TYR 38 8.847 9.036 -6.462 303 HE1 TYR 38 1HE TYR 38 10.196 8.128 -1.821 304 HE2 TYR 38 2HE TYR 38 11.069 8.112 -6.002 305 HH TYR 38 HH TYR 38 11.928 6.759 -3.065 306 H THR 39 H THR 39 5.627 11.862 -2.792 307 HA THR 39 HA THR 39 8.084 13.128 -1.769 308 HB THR 39 HB THR 39 6.949 14.862 -0.804 309 HG1 THR 39 1HG THR 39 5.196 13.499 0.064 310 HG21 THR 39 1HG2 THR 39 5.464 15.811 -2.558 311 HG22 THR 39 2HG2 THR 39 5.551 14.255 -3.383 312 HG23 THR 39 3HG2 THR 39 7.014 15.209 -3.153 313 H SER 40 H SER 40 8.914 11.932 -0.322 314 HA SER 40 HA SER 40 7.288 10.123 1.268 315 HB2 SER 40 2HB SER 40 9.450 9.493 0.019 316 HB3 SER 40 1HB SER 40 10.291 10.318 1.332 317 HG SER 40 HG SER 40 10.125 8.454 2.291 318 H ILE 41 H ILE 41 8.251 9.740 3.564 319 HA ILE 41 HA ILE 41 8.849 12.324 4.827 320 HB ILE 41 HB ILE 41 7.435 11.808 6.707 321 HG12 ILE 41 2HG1 ILE 41 6.652 9.224 5.353 322 HG13 ILE 41 1HG1 ILE 41 7.825 9.329 6.662 323 HG21 ILE 41 1HG2 ILE 41 5.224 11.852 5.723 324 HG22 ILE 41 2HG2 ILE 41 5.887 11.285 4.189 325 HG23 ILE 41 3HG2 ILE 41 6.342 12.870 4.813 326 HD11 ILE 41 1HD1 ILE 41 6.108 10.177 8.154 327 HD12 ILE 41 2HD1 ILE 41 5.634 8.628 7.455 328 HD13 ILE 41 3HD1 ILE 41 4.926 10.125 6.843 329 HA PRO 42 HA PRO 42 12.343 10.331 6.698 330 HB2 PRO 42 2HB PRO 42 11.343 11.452 9.273 331 HB3 PRO 42 1HB PRO 42 12.943 11.578 8.537 332 HG2 PRO 42 2HG PRO 42 11.261 13.638 8.484 333 HG3 PRO 42 1HG PRO 42 12.305 13.269 7.098 334 HD2 PRO 42 2HD PRO 42 9.375 12.813 7.438 335 HD3 PRO 42 1HD PRO 42 10.297 13.219 5.975 336 H ASN 43 H ASN 43 12.926 8.716 8.356 337 HA ASN 43 HA ASN 43 10.845 6.744 8.605 338 HB2 ASN 43 2HB ASN 43 12.581 5.290 9.499 339 HB3 ASN 43 1HB ASN 43 13.167 6.109 8.057 340 HD21 ASN 43 1HD2 ASN 43 14.366 4.940 10.626 341 HD22 ASN 43 2HD2 ASN 43 15.481 6.161 11.128 342 H ASP 44 H ASP 44 10.328 9.122 10.088 343 HA ASP 44 HA ASP 44 9.525 9.811 12.086 344 HB2 ASP 44 2HB ASP 44 8.395 7.562 11.919 345 HB3 ASP 44 1HB ASP 44 9.664 6.929 12.959 346 H LYS 45 H LYS 45 11.673 10.809 12.271 347 HA LYS 45 HA LYS 45 13.163 9.706 14.553 348 HB2 LYS 45 2HB LYS 45 14.991 11.345 13.473 349 HB3 LYS 45 1HB LYS 45 14.855 9.651 13.039 350 HG2 LYS 45 2HG LYS 45 15.066 10.803 11.011 351 HG3 LYS 45 1HG LYS 45 13.353 10.399 11.141 352 HD2 LYS 45 2HD LYS 45 12.726 12.558 11.289 353 HD3 LYS 45 1HD LYS 45 14.114 12.999 12.288 354 HE2 LYS 45 2HE LYS 45 15.534 12.894 10.242 355 HE3 LYS 45 1HE LYS 45 14.072 12.619 9.295 356 HZ1 LYS 45 1HZ LYS 45 13.239 14.778 10.270 357 HZ2 LYS 45 2HZ LYS 45 14.509 14.904 9.157 358 HZ3 LYS 45 3HZ LYS 45 14.826 15.046 10.817 359 HA PRO 46 HA PRO 46 12.119 13.444 16.673 360 HB2 PRO 46 2HB PRO 46 14.099 13.567 18.503 361 HB3 PRO 46 1HB PRO 46 12.833 12.335 18.570 362 HG2 PRO 46 2HG PRO 46 15.627 12.124 17.512 363 HG3 PRO 46 1HG PRO 46 14.733 10.986 18.538 364 HD2 PRO 46 2HD PRO 46 15.005 10.653 15.853 365 HD3 PRO 46 1HD PRO 46 13.584 10.089 16.755 366 H GLY 47 H GLY 47 12.891 14.382 14.415 367 HA2 GLY 47 2HA GLY 47 13.655 16.468 13.662 368 HA3 GLY 47 1HA GLY 47 14.688 16.578 15.079 369 H GLY 48 H GLY 48 16.478 14.895 15.119 370 HA2 GLY 48 2HA GLY 48 17.991 13.520 13.829 371 HA3 GLY 48 1HA GLY 48 17.532 14.441 12.403 372 H SER 49 H SER 49 20.065 14.351 12.479 373 HA SER 49 HA SER 49 21.297 16.290 14.216 374 HB2 SER 49 2HB SER 49 22.640 15.186 11.775 375 HB3 SER 49 1HB SER 49 23.312 15.511 13.375 376 HG SER 49 HG SER 49 23.094 13.298 13.138 377 H SER 50 H SER 50 19.310 17.598 12.944 378 HA SER 50 HA SER 50 18.817 19.519 11.861 379 HB2 SER 50 2HB SER 50 20.995 20.296 12.852 380 HB3 SER 50 1HB SER 50 21.783 19.836 11.343 381 HG SER 50 HG SER 50 20.693 22.123 11.868 382 H GLN 51 H GLN 51 21.646 18.616 9.911 383 HA GLN 51 HA GLN 51 20.032 18.774 7.509 384 HB2 GLN 51 2HB GLN 51 22.971 18.124 7.812 385 HB3 GLN 51 1HB GLN 51 22.140 18.503 6.311 386 HG2 GLN 51 2HG GLN 51 22.518 20.375 8.636 387 HG3 GLN 51 1HG GLN 51 23.435 20.397 7.130 388 HE21 GLN 51 1HE2 GLN 51 22.418 21.097 5.224 389 HE22 GLN 51 2HE2 GLN 51 20.956 22.032 5.276 390 H ALA 52 H ALA 52 18.922 16.825 8.790 391 HA ALA 52 HA ALA 52 19.812 14.425 7.367 392 HB1 ALA 52 1HB ALA 52 19.436 13.022 9.318 393 HB2 ALA 52 2HB ALA 52 19.016 14.441 10.277 394 HB3 ALA 52 3HB ALA 52 20.659 14.243 9.667 395 H THR 53 H THR 53 18.175 14.445 5.927 396 HA THR 53 HA THR 53 16.095 14.214 5.051 397 HB THR 53 HB THR 53 14.932 13.103 7.531 398 HG1 THR 53 1HG THR 53 17.276 12.099 6.310 399 HG21 THR 53 1HG2 THR 53 15.132 12.125 4.683 400 HG22 THR 53 2HG2 THR 53 13.749 12.945 5.405 401 HG23 THR 53 3HG2 THR 53 14.210 11.336 5.965 402 H LYS 54 H LYS 54 16.116 16.633 5.351 403 HA LYS 54 HA LYS 54 13.806 17.414 7.002 404 HB2 LYS 54 2HB LYS 54 14.954 19.686 7.139 405 HB3 LYS 54 1HB LYS 54 15.660 18.387 8.091 406 HG2 LYS 54 2HG LYS 54 17.483 18.156 6.655 407 HG3 LYS 54 1HG LYS 54 16.680 19.029 5.349 408 HD2 LYS 54 2HD LYS 54 17.480 20.298 7.970 409 HD3 LYS 54 1HD LYS 54 18.494 20.305 6.526 410 HE2 LYS 54 2HE LYS 54 15.718 21.229 6.169 411 HE3 LYS 54 1HE LYS 54 16.751 22.261 7.154 412 HZ1 LYS 54 1HZ LYS 54 17.727 21.303 4.546 413 HZ2 LYS 54 2HZ LYS 54 18.130 22.715 5.394 414 HZ3 LYS 54 3HZ LYS 54 16.633 22.603 4.604 415 H GLU 55 H GLU 55 15.141 17.172 3.939 416 HA GLU 55 HA GLU 55 13.215 19.134 2.900 417 HB2 GLU 55 2HB GLU 55 16.066 18.895 2.427 418 HB3 GLU 55 1HB GLU 55 15.157 18.797 0.927 419 HG2 GLU 55 2HG GLU 55 14.658 20.989 2.905 420 HG3 GLU 55 1HG GLU 55 15.961 21.088 1.721 421 H ILE 56 H ILE 56 11.627 17.576 2.659 422 HA ILE 56 HA ILE 56 12.195 15.483 0.672 423 HB ILE 56 HB ILE 56 9.650 15.673 2.243 424 HG12 ILE 56 2HG1 ILE 56 11.557 15.508 3.840 425 HG13 ILE 56 1HG1 ILE 56 10.561 14.058 3.822 426 HG21 ILE 56 1HG2 ILE 56 9.660 14.362 0.213 427 HG22 ILE 56 2HG2 ILE 56 9.529 13.316 1.625 428 HG23 ILE 56 3HG2 ILE 56 11.069 13.468 0.781 429 HD11 ILE 56 1HD1 ILE 56 13.198 14.388 2.415 430 HD12 ILE 56 2HD1 ILE 56 12.201 12.934 2.420 431 HD13 ILE 56 3HD1 ILE 56 12.927 13.511 3.920 432 H LYS 57 H LYS 57 12.062 16.462 -1.193 433 HA LYS 57 HA LYS 57 9.597 17.916 -1.851 434 HB2 LYS 57 2HB LYS 57 10.818 19.025 -3.611 435 HB3 LYS 57 1HB LYS 57 11.763 19.170 -2.139 436 HG2 LYS 57 2HG LYS 57 12.298 17.074 -4.230 437 HG3 LYS 57 1HG LYS 57 13.051 18.667 -4.242 438 HD2 LYS 57 2HD LYS 57 13.319 16.525 -2.139 439 HD3 LYS 57 1HD LYS 57 14.578 17.142 -3.207 440 HE2 LYS 57 2HE LYS 57 13.153 18.992 -1.342 441 HE3 LYS 57 1HE LYS 57 14.439 17.961 -0.730 442 HZ1 LYS 57 1HZ LYS 57 14.895 20.366 -1.673 443 HZ2 LYS 57 2HZ LYS 57 15.001 19.516 -3.142 444 HZ3 LYS 57 3HZ LYS 57 16.018 19.107 -1.851 445 HA PRO 58 HA PRO 58 8.285 14.694 -4.533 446 HB2 PRO 58 2HB PRO 58 8.151 15.984 -7.015 447 HB3 PRO 58 1HB PRO 58 6.852 15.902 -5.821 448 HG2 PRO 58 2HG PRO 58 8.797 18.095 -6.371 449 HG3 PRO 58 1HG PRO 58 7.099 18.195 -5.872 450 HD2 PRO 58 2HD PRO 58 9.105 18.651 -4.156 451 HD3 PRO 58 1HD PRO 58 7.603 17.851 -3.640 452 H GLN 59 H GLN 59 9.904 13.264 -4.672 453 HA GLN 59 HA GLN 59 12.169 13.818 -6.460 454 HB2 GLN 59 2HB GLN 59 11.787 11.899 -4.171 455 HB3 GLN 59 1HB GLN 59 13.118 11.728 -5.307 456 HG2 GLN 59 2HG GLN 59 14.264 13.422 -4.413 457 HG3 GLN 59 1HG GLN 59 12.826 14.420 -4.214 458 HE21 GLN 59 1HE2 GLN 59 13.073 11.202 -2.912 459 HE22 GLN 59 2HE2 GLN 59 13.148 11.666 -1.246 460 H LYS 60 H LYS 60 12.487 12.688 -8.259 461 HA LYS 60 HA LYS 60 10.445 11.144 -9.405 462 HB2 LYS 60 2HB LYS 60 13.118 12.086 -10.164 463 HB3 LYS 60 1HB LYS 60 12.701 10.530 -10.860 464 HG2 LYS 60 2HG LYS 60 10.610 11.548 -11.740 465 HG3 LYS 60 1HG LYS 60 11.190 13.113 -11.164 466 HD2 LYS 60 2HD LYS 60 13.195 12.871 -12.559 467 HD3 LYS 60 1HD LYS 60 12.578 11.326 -13.156 468 HE2 LYS 60 2HE LYS 60 10.620 12.482 -14.081 469 HE3 LYS 60 1HE LYS 60 11.262 14.020 -13.500 470 HZ1 LYS 60 1HZ LYS 60 12.647 12.245 -15.437 471 HZ2 LYS 60 2HZ LYS 60 13.136 13.795 -14.948 472 HZ3 LYS 60 3HZ LYS 60 11.720 13.600 -15.863 473 H LEU 61 H LEU 61 10.263 8.978 -9.716 474 HA LEU 61 HA LEU 61 11.228 7.226 -7.793 475 HB2 LEU 61 2HB LEU 61 10.001 6.894 -10.480 476 HB3 LEU 61 1HB LEU 61 10.683 5.483 -9.699 477 HG LEU 61 HG LEU 61 8.388 7.199 -8.781 478 HD11 LEU 61 1HD1 LEU 61 7.218 5.055 -8.789 479 HD12 LEU 61 2HD1 LEU 61 8.683 4.248 -9.345 480 HD13 LEU 61 3HD1 LEU 61 7.882 5.430 -10.377 481 HD21 LEU 61 1HD2 LEU 61 8.335 5.809 -6.767 482 HD22 LEU 61 2HD2 LEU 61 9.787 6.805 -6.861 483 HD23 LEU 61 3HD2 LEU 61 9.870 5.086 -7.239 484 H GLY 62 H GLY 62 13.253 6.691 -7.409 485 HA2 GLY 62 2HA GLY 62 15.285 6.843 -9.441 486 HA3 GLY 62 1HA GLY 62 15.512 6.353 -7.770 487 H GLU 63 H GLU 63 13.093 4.775 -9.670 488 HA GLU 63 HA GLU 63 12.798 2.631 -10.345 489 HB2 GLU 63 2HB GLU 63 15.741 2.625 -10.983 490 HB3 GLU 63 1HB GLU 63 14.465 1.695 -11.758 491 HG2 GLU 63 2HG GLU 63 13.471 4.011 -12.335 492 HG3 GLU 63 1HG GLU 63 15.102 4.594 -12.011 493 H ASP 64 H ASP 64 13.849 3.253 -7.623 494 HA ASP 64 HA ASP 64 14.845 0.572 -6.889 495 HB2 ASP 64 2HB ASP 64 16.333 2.395 -6.202 496 HB3 ASP 64 1HB ASP 64 14.994 3.214 -5.405 497 H GLU 65 H GLU 65 12.383 2.832 -6.736 498 HA GLU 65 HA GLU 65 10.943 1.799 -4.504 499 HB2 GLU 65 2HB GLU 65 10.324 3.802 -6.638 500 HB3 GLU 65 1HB GLU 65 9.243 3.450 -5.286 501 HG2 GLU 65 2HG GLU 65 12.071 4.429 -4.988 502 HG3 GLU 65 1HG GLU 65 10.661 5.484 -5.027 503 H SER 66 H SER 66 10.330 2.050 -7.959 504 HA SER 66 HA SER 66 9.079 0.903 -9.424 505 HB2 SER 66 2HB SER 66 9.221 -1.535 -7.676 506 HB3 SER 66 1HB SER 66 9.296 -1.417 -9.433 507 HG SER 66 HG SER 66 11.304 -1.383 -7.624 508 H ILE 67 H ILE 67 7.155 1.810 -9.352 509 HA ILE 67 HA ILE 67 5.178 0.938 -7.373 510 HB ILE 67 HB ILE 67 5.075 3.210 -9.358 511 HG12 ILE 67 2HG1 ILE 67 5.531 3.214 -6.373 512 HG13 ILE 67 1HG1 ILE 67 6.751 3.535 -7.604 513 HG21 ILE 67 1HG2 ILE 67 3.177 2.542 -7.114 514 HG22 ILE 67 2HG2 ILE 67 2.845 2.403 -8.842 515 HG23 ILE 67 3HG2 ILE 67 3.118 3.990 -8.122 516 HD11 ILE 67 1HD1 ILE 67 5.530 5.505 -8.313 517 HD12 ILE 67 2HD1 ILE 67 5.939 5.582 -6.599 518 HD13 ILE 67 3HD1 ILE 67 4.295 5.185 -7.098 519 HA PRO 68 HA PRO 68 3.061 -1.706 -10.281 520 HB2 PRO 68 2HB PRO 68 0.650 -0.626 -8.894 521 HB3 PRO 68 1HB PRO 68 1.099 -2.305 -9.222 522 HG2 PRO 68 2HG PRO 68 1.353 -1.285 -6.780 523 HG3 PRO 68 1HG PRO 68 2.574 -2.394 -7.431 524 HD2 PRO 68 2HD PRO 68 2.686 0.567 -7.098 525 HD3 PRO 68 1HD PRO 68 3.978 -0.635 -6.928 526 H GLU 69 H GLU 69 2.620 -1.184 -12.333 527 HA GLU 69 HA GLU 69 2.143 1.512 -13.099 528 HB2 GLU 69 2HB GLU 69 2.070 -1.031 -14.718 529 HB3 GLU 69 1HB GLU 69 2.025 0.595 -15.395 530 HG2 GLU 69 2HG GLU 69 4.215 1.054 -14.363 531 HG3 GLU 69 1HG GLU 69 4.263 -0.605 -13.774 532 H GLU 70 H GLU 70 0.055 -0.537 -11.757 533 HA GLU 70 HA GLU 70 -2.260 0.143 -13.394 534 HB2 GLU 70 2HB GLU 70 -3.409 -1.240 -11.500 535 HB3 GLU 70 1HB GLU 70 -2.445 -2.071 -12.712 536 HG2 GLU 70 2HG GLU 70 -0.652 -2.382 -11.228 537 HG3 GLU 70 1HG GLU 70 -1.288 -1.199 -10.088 538 H ILE 71 H ILE 71 -0.528 1.403 -10.802 539 HA ILE 71 HA ILE 71 -2.845 3.038 -9.977 540 HB ILE 71 HB ILE 71 -2.112 3.028 -7.684 541 HG12 ILE 71 2HG1 ILE 71 0.165 1.223 -8.540 542 HG13 ILE 71 1HG1 ILE 71 0.335 2.941 -8.214 543 HG21 ILE 71 1HG2 ILE 71 -2.345 0.628 -7.120 544 HG22 ILE 71 2HG2 ILE 71 -2.140 0.238 -8.828 545 HG23 ILE 71 3HG2 ILE 71 -3.537 1.178 -8.299 546 HD11 ILE 71 1HD1 ILE 71 1.073 1.637 -6.331 547 HD12 ILE 71 2HD1 ILE 71 -0.497 0.840 -6.239 548 HD13 ILE 71 3HD1 ILE 71 -0.365 2.565 -5.908 549 H ILE 72 H ILE 72 0.500 2.858 -10.778 550 HA ILE 72 HA ILE 72 1.664 5.132 -9.766 551 HB ILE 72 HB ILE 72 2.690 3.304 -11.056 552 HG12 ILE 72 2HG1 ILE 72 3.598 5.790 -10.585 553 HG13 ILE 72 1HG1 ILE 72 4.576 4.532 -11.327 554 HG21 ILE 72 1HG2 ILE 72 2.934 3.569 -13.510 555 HG22 ILE 72 2HG2 ILE 72 1.706 4.831 -13.442 556 HG23 ILE 72 3HG2 ILE 72 1.297 3.178 -12.987 557 HD11 ILE 72 1HD1 ILE 72 4.029 5.411 -13.536 558 HD12 ILE 72 2HD1 ILE 72 4.792 6.634 -12.517 559 HD13 ILE 72 3HD1 ILE 72 3.048 6.673 -12.790 560 H ASN 73 H ASN 73 -0.611 4.973 -12.439 561 HA ASN 73 HA ASN 73 -0.031 7.777 -13.008 562 HB2 ASN 73 2HB ASN 73 -0.533 5.653 -14.691 563 HB3 ASN 73 1HB ASN 73 -2.063 6.524 -14.684 564 HD21 ASN 73 1HD2 ASN 73 1.318 6.670 -15.467 565 HD22 ASN 73 2HD2 ASN 73 1.246 8.112 -16.427 566 H GLY 74 H GLY 74 -1.525 6.690 -10.635 567 HA2 GLY 74 2HA GLY 74 -3.822 8.541 -10.980 568 HA3 GLY 74 1HA GLY 74 -4.135 6.912 -10.412 569 H LYS 75 H LYS 75 -1.588 9.252 -9.560 570 HA LYS 75 HA LYS 75 -0.790 9.968 -7.552 571 HB2 LYS 75 2HB LYS 75 -2.892 11.293 -7.783 572 HB3 LYS 75 1HB LYS 75 -3.710 10.105 -6.778 573 HG2 LYS 75 2HG LYS 75 -3.184 11.656 -5.196 574 HG3 LYS 75 1HG LYS 75 -1.726 10.665 -5.127 575 HD2 LYS 75 2HD LYS 75 -1.028 12.948 -5.180 576 HD3 LYS 75 1HD LYS 75 -0.674 12.256 -6.763 577 HE2 LYS 75 2HE LYS 75 -2.591 13.313 -7.725 578 HE3 LYS 75 1HE LYS 75 -3.155 13.849 -6.144 579 HZ1 LYS 75 1HZ LYS 75 -2.101 15.657 -7.348 580 HZ2 LYS 75 2HZ LYS 75 -0.667 14.766 -7.504 581 HZ3 LYS 75 3HZ LYS 75 -1.189 15.267 -5.975 582 H CYS 76 H CYS 76 0.339 8.512 -6.463 583 HA CYS 76 HA CYS 76 -1.154 6.337 -5.157 584 HB2 CYS 76 2HB CYS 76 1.816 6.364 -5.644 585 HB3 CYS 76 1HB CYS 76 0.786 4.987 -5.273 586 HG CYS 76 HG CYS 76 -0.615 5.715 -7.879 587 H PHE 77 H PHE 77 -0.090 5.461 -3.217 588 HA PHE 77 HA PHE 77 1.208 7.443 -1.532 589 HB2 PHE 77 2HB PHE 77 -1.378 6.041 -0.801 590 HB3 PHE 77 1HB PHE 77 -0.398 6.989 0.314 591 HD1 PHE 77 1HD PHE 77 -3.079 7.049 -1.969 592 HD2 PHE 77 2HD PHE 77 0.064 9.435 -0.385 593 HE1 PHE 77 1HE PHE 77 -4.281 9.079 -2.662 594 HE2 PHE 77 2HE PHE 77 -1.130 11.471 -1.072 595 HZ PHE 77 HZ PHE 77 -3.302 11.293 -2.223 596 H PHE 78 H PHE 78 2.969 6.409 -0.842 597 HA PHE 78 HA PHE 78 2.953 3.502 -0.673 598 HB2 PHE 78 2HB PHE 78 4.980 4.700 -1.499 599 HB3 PHE 78 1HB PHE 78 5.151 5.442 0.090 600 HD1 PHE 78 1HD PHE 78 5.203 2.219 -1.712 601 HD2 PHE 78 2HD PHE 78 6.179 4.296 1.863 602 HE1 PHE 78 1HE PHE 78 6.500 0.281 -0.951 603 HE2 PHE 78 2HE PHE 78 7.488 2.365 2.632 604 HZ PHE 78 HZ PHE 78 7.653 0.349 1.225 605 H ILE 79 H ILE 79 1.868 2.743 0.988 606 HA ILE 79 HA ILE 79 2.135 4.100 3.589 607 HB ILE 79 HB ILE 79 0.033 3.316 4.216 608 HG12 ILE 79 2HG1 ILE 79 0.476 1.348 2.017 609 HG13 ILE 79 1HG1 ILE 79 -0.085 1.083 3.666 610 HG21 ILE 79 1HG2 ILE 79 -0.102 5.173 2.656 611 HG22 ILE 79 2HG2 ILE 79 -1.489 4.098 2.470 612 HG23 ILE 79 3HG2 ILE 79 -0.172 4.046 1.298 613 HD11 ILE 79 1HD1 ILE 79 -1.840 0.615 2.099 614 HD12 ILE 79 2HD1 ILE 79 -1.674 2.223 1.386 615 HD13 ILE 79 3HD1 ILE 79 -2.253 2.046 3.043 616 H HIS 80 H HIS 80 1.793 2.785 5.372 617 HA HIS 80 HA HIS 80 2.814 0.060 5.169 618 HB2 HIS 80 2HB HIS 80 4.712 1.107 6.000 619 HB3 HIS 80 1HB HIS 80 3.793 2.390 6.771 620 HD1 HIS 80 1HD HIS 80 5.194 -1.008 7.362 621 HD2 HIS 80 2HD HIS 80 2.887 1.830 9.325 622 HE1 HIS 80 1HE HIS 80 5.187 -1.706 9.797 623 HE2 HIS 80 2HE HIS 80 3.691 -0.027 10.961 624 H TYR 81 H TYR 81 1.049 -1.056 5.660 625 HA TYR 81 HA TYR 81 -1.278 -0.142 6.745 626 HB2 TYR 81 2HB TYR 81 -0.070 -2.882 6.674 627 HB3 TYR 81 1HB TYR 81 -1.655 -2.605 7.397 628 HD1 TYR 81 1HD TYR 81 0.283 -2.451 4.264 629 HD2 TYR 81 2HD TYR 81 -3.572 -2.126 6.029 630 HE1 TYR 81 1HE TYR 81 -0.736 -2.503 2.028 631 HE2 TYR 81 2HE TYR 81 -4.603 -2.179 3.794 632 HH TYR 81 HH TYR 81 -4.079 -1.803 1.516 633 H GLN 82 H GLN 82 -1.888 0.595 8.557 634 HA GLN 82 HA GLN 82 -0.241 0.870 10.818 635 HB2 GLN 82 2HB GLN 82 -2.459 2.101 9.904 636 HB3 GLN 82 1HB GLN 82 -3.169 1.106 11.164 637 HG2 GLN 82 2HG GLN 82 -1.921 2.142 12.842 638 HG3 GLN 82 1HG GLN 82 -0.804 2.867 11.686 639 HE21 GLN 82 1HE2 GLN 82 -2.978 3.643 9.883 640 HE22 GLN 82 2HE2 GLN 82 -3.733 5.006 10.623 641 H GLY 83 H GLY 83 0.286 -0.617 12.251 642 HA2 GLY 83 2HA GLY 83 -0.347 -2.031 14.071 643 HA3 GLY 83 1HA GLY 83 -1.775 -2.502 13.157 644 H TRP 84 H TRP 84 0.427 -2.531 10.845 645 HA TRP 84 HA TRP 84 1.098 -5.354 11.321 646 HB2 TRP 84 2HB TRP 84 0.745 -3.806 8.749 647 HB3 TRP 84 1HB TRP 84 1.341 -5.463 8.820 648 HD1 TRP 84 HD TRP 84 -1.802 -3.522 8.596 649 HE1 TRP 84 1HE TRP 84 -3.847 -5.065 8.875 650 HE3 TRP 84 3HE TRP 84 0.585 -7.693 10.287 651 HZ2 TRP 84 2HZ TRP 84 -4.365 -7.720 9.698 652 HZ3 TRP 84 3HZ TRP 84 -0.746 -9.692 10.802 653 HH2 TRP 84 HH TRP 84 -3.171 -9.706 10.514 654 H LYS 85 H LYS 85 3.085 -5.871 9.695 655 HA LYS 85 HA LYS 85 5.266 -4.311 10.822 656 HB2 LYS 85 2HB LYS 85 6.329 -6.404 9.288 657 HB3 LYS 85 1HB LYS 85 6.172 -6.338 11.039 658 HG2 LYS 85 2HG LYS 85 3.724 -7.160 10.522 659 HG3 LYS 85 1HG LYS 85 4.475 -7.740 9.034 660 HD2 LYS 85 2HD LYS 85 5.935 -9.166 10.205 661 HD3 LYS 85 1HD LYS 85 5.635 -8.347 11.739 662 HE2 LYS 85 2HE LYS 85 4.460 -10.398 11.838 663 HE3 LYS 85 1HE LYS 85 3.252 -9.140 11.565 664 HZ1 LYS 85 1HZ LYS 85 2.592 -10.551 9.966 665 HZ2 LYS 85 2HZ LYS 85 4.099 -11.306 9.828 666 HZ3 LYS 85 3HZ LYS 85 3.824 -9.816 9.062 667 H SER 86 H SER 86 7.281 -4.387 9.167 668 HA SER 86 HA SER 86 6.630 -2.462 7.192 669 HB2 SER 86 2HB SER 86 9.234 -3.932 7.137 670 HB3 SER 86 1HB SER 86 8.912 -2.208 6.941 671 HG SER 86 HG SER 86 8.791 -1.956 9.093 672 H SER 87 H SER 87 6.309 -5.801 7.100 673 HA SER 87 HA SER 87 7.028 -6.221 4.353 674 HB2 SER 87 2HB SER 87 5.177 -8.178 5.421 675 HB3 SER 87 1HB SER 87 6.858 -8.386 4.930 676 HG SER 87 HG SER 87 7.532 -7.868 6.947 677 H TRP 88 H TRP 88 4.578 -4.561 5.763 678 HA TRP 88 HA TRP 88 2.638 -5.222 3.657 679 HB2 TRP 88 2HB TRP 88 2.311 -4.022 6.402 680 HB3 TRP 88 1HB TRP 88 1.063 -3.849 5.173 681 HD1 TRP 88 HD TRP 88 3.004 -6.761 6.871 682 HE1 TRP 88 1HE TRP 88 1.373 -8.730 7.161 683 HE3 TRP 88 3HE TRP 88 -1.129 -4.734 4.647 684 HZ2 TRP 88 2HZ TRP 88 -1.306 -9.339 6.544 685 HZ3 TRP 88 3HZ TRP 88 -3.188 -6.074 4.547 686 HH2 TRP 88 HH TRP 88 -3.275 -8.330 5.475 687 H ASP 89 H ASP 89 5.117 -3.318 3.973 688 HA ASP 89 HA ASP 89 4.028 -0.714 3.450 689 HB2 ASP 89 2HB ASP 89 6.823 -1.851 3.194 690 HB3 ASP 89 1HB ASP 89 6.434 -0.178 2.826 691 H GLU 90 H GLU 90 2.720 -0.785 1.687 692 HA GLU 90 HA GLU 90 4.015 -1.428 -0.873 693 HB2 GLU 90 2HB GLU 90 1.174 -2.096 -0.076 694 HB3 GLU 90 1HB GLU 90 1.835 -2.290 -1.692 695 HG2 GLU 90 2HG GLU 90 3.528 -3.619 0.183 696 HG3 GLU 90 1HG GLU 90 1.861 -4.132 0.431 697 H TRP 91 H TRP 91 2.729 -0.510 -2.734 698 HA TRP 91 HA TRP 91 2.160 2.294 -2.142 699 HB2 TRP 91 2HB TRP 91 2.840 0.782 -4.655 700 HB3 TRP 91 1HB TRP 91 2.080 2.360 -4.754 701 HD1 TRP 91 HD TRP 91 5.403 0.682 -4.152 702 HE1 TRP 91 1HE TRP 91 7.245 2.471 -3.989 703 HE3 TRP 91 3HE TRP 91 2.470 4.870 -3.886 704 HZ2 TRP 91 2HZ TRP 91 7.426 5.294 -3.802 705 HZ3 TRP 91 3HZ TRP 91 3.589 7.061 -3.720 706 HH2 TRP 91 HH TRP 91 5.994 7.265 -3.673 707 H VAL 92 H VAL 92 0.105 3.006 -2.064 708 HA VAL 92 HA VAL 92 -1.937 1.452 -3.519 709 HB VAL 92 HB VAL 92 -3.614 2.345 -1.904 710 HG11 VAL 92 1HG1 VAL 92 -1.393 0.699 -0.711 711 HG12 VAL 92 2HG1 VAL 92 -2.765 0.100 -1.645 712 HG13 VAL 92 3HG1 VAL 92 -3.027 0.837 -0.064 713 HG21 VAL 92 1HG2 VAL 92 -1.198 3.248 -0.345 714 HG22 VAL 92 2HG2 VAL 92 -2.868 3.265 0.222 715 HG23 VAL 92 3HG2 VAL 92 -2.385 4.295 -1.125 716 H GLY 93 H GLY 93 -4.004 3.279 -3.436 717 HA2 GLY 93 2HA GLY 93 -3.153 5.911 -4.140 718 HA3 GLY 93 1HA GLY 93 -3.482 4.943 -5.577 719 H TYR 94 H TYR 94 -5.066 7.029 -5.405 720 HA TYR 94 HA TYR 94 -7.344 6.913 -3.790 721 HB2 TYR 94 2HB TYR 94 -6.925 8.006 -6.560 722 HB3 TYR 94 1HB TYR 94 -8.433 8.209 -5.676 723 HD1 TYR 94 1HD TYR 94 -7.507 8.774 -2.954 724 HD2 TYR 94 2HD TYR 94 -5.968 10.092 -6.694 725 HE1 TYR 94 1HE TYR 94 -6.589 10.767 -1.865 726 HE2 TYR 94 2HE TYR 94 -5.037 12.084 -5.616 727 HH TYR 94 HH TYR 94 -4.851 12.427 -2.219 728 H ASP 95 H ASP 95 -6.395 4.700 -5.989 729 HA ASP 95 HA ASP 95 -8.941 3.973 -7.122 730 HB2 ASP 95 2HB ASP 95 -6.726 3.616 -8.275 731 HB3 ASP 95 1HB ASP 95 -6.382 2.361 -7.092 732 H ARG 96 H ARG 96 -6.918 3.032 -4.409 733 HA ARG 96 HA ARG 96 -9.077 1.212 -3.546 734 HB2 ARG 96 2HB ARG 96 -6.112 0.666 -3.484 735 HB3 ARG 96 1HB ARG 96 -7.290 -0.270 -2.572 736 HG2 ARG 96 2HG ARG 96 -8.348 -1.012 -4.587 737 HG3 ARG 96 1HG ARG 96 -7.334 0.054 -5.563 738 HD2 ARG 96 2HD ARG 96 -5.444 -1.349 -4.240 739 HD3 ARG 96 1HD ARG 96 -6.727 -2.558 -4.340 740 HE ARG 96 HE ARG 96 -6.665 -1.761 -6.854 741 HH11 ARG 96 1HH1 ARG 96 -3.980 -2.467 -4.711 742 HH12 ARG 96 2HH1 ARG 96 -2.912 -2.941 -5.994 743 HH21 ARG 96 1HH2 ARG 96 -5.253 -2.352 -8.541 744 HH22 ARG 96 2HH2 ARG 96 -3.623 -2.864 -8.168 745 H ILE 97 H ILE 97 -7.181 3.856 -2.825 746 HA ILE 97 HA ILE 97 -7.102 3.363 0.029 747 HB ILE 97 HB ILE 97 -5.273 4.597 -1.332 748 HG12 ILE 97 2HG1 ILE 97 -6.337 5.792 1.223 749 HG13 ILE 97 1HG1 ILE 97 -5.304 4.373 1.112 750 HG21 ILE 97 1HG2 ILE 97 -6.737 6.204 -2.416 751 HG22 ILE 97 2HG2 ILE 97 -5.534 7.016 -1.414 752 HG23 ILE 97 3HG2 ILE 97 -7.194 6.856 -0.842 753 HD11 ILE 97 1HD1 ILE 97 -4.021 6.308 1.753 754 HD12 ILE 97 2HD1 ILE 97 -4.579 7.178 0.322 755 HD13 ILE 97 3HD1 ILE 97 -3.530 5.768 0.146 756 H ARG 98 H ARG 98 -8.140 4.530 1.546 757 HA ARG 98 HA ARG 98 -10.328 6.295 0.701 758 HB2 ARG 98 2HB ARG 98 -10.531 3.934 2.579 759 HB3 ARG 98 1HB ARG 98 -11.746 5.200 2.489 760 HG2 ARG 98 2HG ARG 98 -10.929 3.387 0.229 761 HG3 ARG 98 1HG ARG 98 -12.394 3.236 1.201 762 HD2 ARG 98 2HD ARG 98 -11.665 5.576 -0.557 763 HD3 ARG 98 1HD ARG 98 -12.853 4.332 -0.938 764 HE ARG 98 HE ARG 98 -14.019 5.183 1.157 765 HH11 ARG 98 1HH1 ARG 98 -12.086 7.229 -0.933 766 HH12 ARG 98 2HH1 ARG 98 -12.962 8.681 -0.536 767 HH21 ARG 98 1HH2 ARG 98 -15.163 7.088 1.677 768 HH22 ARG 98 2HH2 ARG 98 -14.721 8.594 0.939 769 H ALA 99 H ALA 99 -11.326 7.020 3.087 770 HA ALA 99 HA ALA 99 -9.025 8.278 4.353 771 HB1 ALA 99 1HB ALA 99 -11.964 9.048 4.335 772 HB2 ALA 99 2HB ALA 99 -10.659 9.864 3.471 773 HB3 ALA 99 3HB ALA 99 -10.700 9.895 5.235 774 H TYR 100 H TYR 100 -8.924 8.215 6.587 775 HA TYR 100 HA TYR 100 -10.341 5.928 7.698 776 HB2 TYR 100 2HB TYR 100 -7.932 5.967 7.812 777 HB3 TYR 100 1HB TYR 100 -7.973 7.536 8.579 778 HD1 TYR 100 1HD TYR 100 -8.573 7.701 10.989 779 HD2 TYR 100 2HD TYR 100 -8.414 3.953 8.987 780 HE1 TYR 100 1HE TYR 100 -8.575 6.547 13.158 781 HE2 TYR 100 2HE TYR 100 -8.421 2.786 11.146 782 HH TYR 100 HH TYR 100 -7.922 3.170 13.449 783 H ASN 101 H ASN 101 -12.314 6.700 8.178 784 HA ASN 101 HA ASN 101 -12.551 8.537 10.393 785 HB2 ASN 101 2HB ASN 101 -14.235 9.956 9.174 786 HB3 ASN 101 1HB ASN 101 -12.581 10.144 8.602 787 HD21 ASN 101 1HD2 ASN 101 -12.854 10.685 6.541 788 HD22 ASN 101 2HD2 ASN 101 -13.720 9.752 5.370 789 H GLU 102 H GLU 102 -15.055 8.844 10.788 790 HA GLU 102 HA GLU 102 -16.033 6.219 11.310 791 HB2 GLU 102 2HB GLU 102 -17.268 8.941 11.675 792 HB3 GLU 102 1HB GLU 102 -18.053 7.451 12.177 793 HG2 GLU 102 2HG GLU 102 -15.326 8.239 13.140 794 HG3 GLU 102 1HG GLU 102 -16.807 8.740 13.951 795 H GLU 103 H GLU 103 -16.160 7.928 8.477 796 HA GLU 103 HA GLU 103 -18.882 7.296 7.778 797 HB2 GLU 103 2HB GLU 103 -17.410 9.276 6.937 798 HB3 GLU 103 1HB GLU 103 -16.845 8.102 5.752 799 HG2 GLU 103 2HG GLU 103 -18.795 8.061 4.644 800 HG3 GLU 103 1HG GLU 103 -19.758 8.270 6.106 801 H ASN 104 H ASN 104 -15.789 6.325 6.176 802 HA ASN 104 HA ASN 104 -17.254 4.077 5.065 803 HB2 ASN 104 2HB ASN 104 -15.056 3.559 3.884 804 HB3 ASN 104 1HB ASN 104 -15.879 5.046 3.431 805 HD21 ASN 104 1HD2 ASN 104 -13.087 3.646 4.854 806 HD22 ASN 104 2HD2 ASN 104 -12.196 5.121 5.068 807 H ILE 105 H ILE 105 -15.247 4.661 7.772 808 HA ILE 105 HA ILE 105 -14.191 2.049 8.144 809 HB ILE 105 HB ILE 105 -14.774 4.356 9.901 810 HG12 ILE 105 2HG1 ILE 105 -12.314 2.672 9.460 811 HG13 ILE 105 1HG1 ILE 105 -12.660 4.218 8.684 812 HG21 ILE 105 1HG2 ILE 105 -15.596 2.526 11.248 813 HG22 ILE 105 2HG2 ILE 105 -14.084 3.146 11.911 814 HG23 ILE 105 3HG2 ILE 105 -14.091 1.641 10.992 815 HD11 ILE 105 1HD1 ILE 105 -11.095 4.462 10.509 816 HD12 ILE 105 2HD1 ILE 105 -12.272 3.771 11.624 817 HD13 ILE 105 3HD1 ILE 105 -12.601 5.317 10.840 818 H ALA 106 H ALA 106 -17.180 3.662 8.755 819 HA ALA 106 HA ALA 106 -18.551 1.906 10.380 820 HB1 ALA 106 1HB ALA 106 -20.577 2.882 9.385 821 HB2 ALA 106 2HB ALA 106 -19.596 3.586 8.098 822 HB3 ALA 106 3HB ALA 106 -19.378 4.118 9.764 823 H MET 107 H MET 107 -17.779 1.777 6.982 824 HA MET 107 HA MET 107 -19.451 -0.518 6.478 825 HB2 MET 107 2HB MET 107 -18.488 1.302 4.767 826 HB3 MET 107 1HB MET 107 -17.187 0.128 4.654 827 HG2 MET 107 2HG MET 107 -18.893 -1.608 4.136 828 HG3 MET 107 1HG MET 107 -20.091 -0.317 4.041 829 HE1 MET 107 1HE MET 107 -20.579 -1.379 1.583 830 HE2 MET 107 2HE MET 107 -19.216 -2.491 1.714 831 HE3 MET 107 3HE MET 107 -19.367 -1.444 0.303 832 H LYS 108 H LYS 108 -15.982 0.148 6.912 833 HA LYS 108 HA LYS 108 -14.870 -2.327 6.481 834 HB2 LYS 108 2HB LYS 108 -13.653 -0.205 6.947 835 HB3 LYS 108 1HB LYS 108 -14.077 -0.370 8.643 836 HG2 LYS 108 2HG LYS 108 -12.881 -2.794 7.808 837 HG3 LYS 108 1HG LYS 108 -11.869 -1.464 7.251 838 HD2 LYS 108 2HD LYS 108 -12.418 -0.652 9.773 839 HD3 LYS 108 1HD LYS 108 -12.437 -2.405 9.978 840 HE2 LYS 108 2HE LYS 108 -10.203 -2.175 8.525 841 HE3 LYS 108 1HE LYS 108 -10.196 -0.585 9.287 842 HZ1 LYS 108 1HZ LYS 108 -10.279 -3.202 10.706 843 HZ2 LYS 108 2HZ LYS 108 -10.327 -1.684 11.452 844 HZ3 LYS 108 3HZ LYS 108 -8.949 -2.160 10.597 845 H LYS 109 H LYS 109 -16.435 -1.123 9.362 846 HA LYS 109 HA LYS 109 -15.875 -3.281 11.096 847 HB2 LYS 109 2HB LYS 109 -18.381 -1.584 11.096 848 HB3 LYS 109 1HB LYS 109 -17.700 -2.461 12.459 849 HG2 LYS 109 2HG LYS 109 -16.259 -0.231 11.068 850 HG3 LYS 109 1HG LYS 109 -17.327 0.014 12.451 851 HD2 LYS 109 2HD LYS 109 -15.344 -2.103 12.820 852 HD3 LYS 109 1HD LYS 109 -14.650 -0.494 12.586 853 HE2 LYS 109 2HE LYS 109 -16.204 0.350 14.352 854 HE3 LYS 109 1HE LYS 109 -16.686 -1.315 14.654 855 HZ1 LYS 109 1HZ LYS 109 -14.288 -1.782 15.112 856 HZ2 LYS 109 2HZ LYS 109 -15.047 -0.761 16.233 857 HZ3 LYS 109 3HZ LYS 109 -14.013 -0.106 15.061 858 H ARG 110 H ARG 110 -18.783 -2.588 9.220 859 HA ARG 110 HA ARG 110 -19.983 -5.110 9.700 860 HB2 ARG 110 2HB ARG 110 -21.095 -2.930 8.933 861 HB3 ARG 110 1HB ARG 110 -20.502 -3.322 7.331 862 HG2 ARG 110 2HG ARG 110 -21.731 -5.479 7.471 863 HG3 ARG 110 1HG ARG 110 -22.420 -4.929 9.001 864 HD2 ARG 110 2HD ARG 110 -23.708 -3.297 7.984 865 HD3 ARG 110 1HD ARG 110 -22.674 -3.228 6.553 866 HE ARG 110 HE ARG 110 -23.622 -5.316 5.824 867 HH11 ARG 110 1HH1 ARG 110 -25.299 -3.735 8.489 868 HH12 ARG 110 2HH1 ARG 110 -26.752 -4.673 8.282 869 HH21 ARG 110 1HH2 ARG 110 -25.513 -6.552 5.590 870 HH22 ARG 110 2HH2 ARG 110 -26.879 -6.250 6.627 871 H LEU 111 H LEU 111 -17.674 -3.896 7.499 872 HA LEU 111 HA LEU 111 -17.880 -5.832 5.464 873 HB2 LEU 111 2HB LEU 111 -16.042 -3.673 6.239 874 HB3 LEU 111 1HB LEU 111 -15.356 -4.918 5.234 875 HG LEU 111 HG LEU 111 -17.883 -3.546 4.561 876 HD11 LEU 111 1HD1 LEU 111 -16.131 -1.845 4.745 877 HD12 LEU 111 2HD1 LEU 111 -16.622 -2.073 3.067 878 HD13 LEU 111 3HD1 LEU 111 -15.116 -2.786 3.649 879 HD21 LEU 111 1HD2 LEU 111 -15.955 -5.032 2.849 880 HD22 LEU 111 2HD2 LEU 111 -17.450 -4.262 2.315 881 HD23 LEU 111 3HD2 LEU 111 -17.511 -5.624 3.431 882 H ALA 112 H ALA 112 -15.755 -5.586 8.337 883 HA ALA 112 HA ALA 112 -14.381 -7.978 7.574 884 HB1 ALA 112 1HB ALA 112 -13.360 -7.888 9.786 885 HB2 ALA 112 2HB ALA 112 -14.529 -6.668 10.297 886 HB3 ALA 112 3HB ALA 112 -13.347 -6.287 9.039 887 H ASN 113 H ASN 113 -17.394 -7.328 8.742 888 HA ASN 113 HA ASN 113 -17.713 -9.929 10.015 889 HB2 ASN 113 2HB ASN 113 -19.041 -7.340 10.181 890 HB3 ASN 113 1HB ASN 113 -20.181 -8.669 10.016 891 HD21 ASN 113 1HD2 ASN 113 -17.698 -7.258 11.982 892 HD22 ASN 113 2HD2 ASN 113 -18.020 -8.174 13.417 893 H GLU 114 H GLU 114 -18.871 -8.034 7.250 894 HA GLU 114 HA GLU 114 -20.564 -10.211 6.361 895 HB2 GLU 114 2HB GLU 114 -20.106 -7.411 5.409 896 HB3 GLU 114 1HB GLU 114 -20.919 -8.575 4.373 897 HG2 GLU 114 2HG GLU 114 -22.408 -8.983 6.469 898 HG3 GLU 114 1HG GLU 114 -21.800 -7.406 6.968 899 H ALA 115 H ALA 115 -17.385 -8.847 5.512 900 HA ALA 115 HA ALA 115 -17.309 -10.349 3.028 901 HB1 ALA 115 1HB ALA 115 -14.945 -9.697 2.935 902 HB2 ALA 115 2HB ALA 115 -15.056 -9.057 4.575 903 HB3 ALA 115 3HB ALA 115 -15.976 -8.304 3.272 904 H LYS 116 H LYS 116 -17.446 -11.234 6.079 905 HA LYS 116 HA LYS 116 -15.704 -13.569 5.762 906 HB2 LYS 116 2HB LYS 116 -15.003 -13.320 7.906 907 HB3 LYS 116 1HB LYS 116 -15.474 -11.652 7.631 908 HG2 LYS 116 2HG LYS 116 -17.446 -11.872 8.847 909 HG3 LYS 116 1HG LYS 116 -17.397 -13.634 8.789 910 HD2 LYS 116 2HD LYS 116 -15.008 -12.675 10.026 911 HD3 LYS 116 1HD LYS 116 -16.404 -11.923 10.802 912 HE2 LYS 116 2HE LYS 116 -15.875 -14.864 10.442 913 HE3 LYS 116 1HE LYS 116 -15.904 -13.966 11.956 914 HZ1 LYS 116 1HZ LYS 116 -18.341 -13.449 10.961 915 HZ2 LYS 116 2HZ LYS 116 -18.006 -14.694 12.054 916 HZ3 LYS 116 3HZ LYS 116 -18.092 -15.029 10.394 917 H GLU 117 H GLU 117 -18.880 -12.492 5.878 918 HA GLU 117 HA GLU 117 -20.145 -14.585 7.326 919 HB2 GLU 117 2HB GLU 117 -21.146 -12.604 5.285 920 HB3 GLU 117 1HB GLU 117 -22.194 -13.838 5.961 921 HG2 GLU 117 2HG GLU 117 -20.695 -11.883 7.670 922 HG3 GLU 117 1HG GLU 117 -22.297 -11.550 7.015 923 H ALA 118 H ALA 118 -20.421 -13.946 3.855 924 HA ALA 118 HA ALA 118 -19.595 -16.529 3.024 925 HB1 ALA 118 1HB ALA 118 -21.779 -17.135 4.028 926 HB2 ALA 118 2HB ALA 118 -21.721 -17.434 2.291 927 HB3 ALA 118 3HB ALA 118 -22.575 -16.022 2.913 928 H LYS 119 H LYS 119 -19.691 -16.768 0.730 929 HA LYS 119 HA LYS 119 -19.619 -14.222 -0.665 930 HB2 LYS 119 2HB LYS 119 -18.984 -17.063 -1.469 931 HB3 LYS 119 1HB LYS 119 -18.949 -15.726 -2.609 932 HG2 LYS 119 2HG LYS 119 -17.396 -15.457 -0.092 933 HG3 LYS 119 1HG LYS 119 -16.780 -16.538 -1.344 934 HD2 LYS 119 2HD LYS 119 -16.910 -14.677 -2.968 935 HD3 LYS 119 1HD LYS 119 -17.451 -13.608 -1.671 936 HE2 LYS 119 2HE LYS 119 -15.378 -13.638 -0.620 937 HE3 LYS 119 1HE LYS 119 -14.889 -15.137 -1.409 938 HZ1 LYS 119 1HZ LYS 119 -15.203 -12.508 -2.767 939 HZ2 LYS 119 2HZ LYS 119 -14.687 -13.944 -3.495 940 HZ3 LYS 119 3HZ LYS 119 -13.725 -13.204 -2.314 941 H LYS 120 H LYS 120 -21.989 -14.016 -0.169 942 HA LYS 120 HA LYS 120 -23.855 -15.649 -1.575 943 HB2 LYS 120 2HB LYS 120 -24.214 -14.167 0.538 944 HB3 LYS 120 1HB LYS 120 -24.478 -12.871 -0.622 945 HG2 LYS 120 2HG LYS 120 -25.999 -15.224 -1.320 946 HG3 LYS 120 1HG LYS 120 -26.349 -14.694 0.324 947 HD2 LYS 120 2HD LYS 120 -27.447 -12.878 -0.387 948 HD3 LYS 120 1HD LYS 120 -26.212 -12.498 -1.588 949 HE2 LYS 120 2HE LYS 120 -28.103 -14.777 -2.022 950 HE3 LYS 120 1HE LYS 120 -28.604 -13.123 -2.374 951 HZ1 LYS 120 1HZ LYS 120 -27.614 -14.425 -4.277 952 HZ2 LYS 120 2HZ LYS 120 -26.113 -14.282 -3.491 953 HZ3 LYS 120 3HZ LYS 120 -26.947 -12.893 -3.992
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