NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1242 | 1ael | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 2.443 9.393 5.018 2 2H ALA 1 3H ALA 1 2.805 10.838 5.740 3 3H ALA 1 2H ALA 1 1.594 10.746 4.600 4 HA ALA 1 HA ALA 1 3.262 10.243 2.894 5 1HB ALA 1 2HB ALA 1 3.222 12.570 4.765 6 2HB ALA 1 1HB ALA 1 4.779 12.418 3.868 7 3HB ALA 1 3HB ALA 1 3.293 12.587 2.946 8 H PHE 2 H PHE 2 5.871 10.600 2.757 9 HA PHE 2 HA PHE 2 7.697 10.040 4.784 10 1HB PHE 2 2HB PHE 2 6.008 7.809 4.786 11 2HB PHE 2 1HB PHE 2 7.501 7.397 3.929 12 HD1 PHE 2 HD2 PHE 2 9.358 9.350 5.490 13 HD2 PHE 2 HD1 PHE 2 6.501 6.402 6.683 14 HE1 PHE 2 HE2 PHE 2 10.615 9.032 7.553 15 HE2 PHE 2 HE1 PHE 2 7.747 6.058 8.770 16 HZ PHE 2 HZ PHE 2 9.812 7.323 9.288 17 H ASP 3 H ASP 3 6.790 8.782 1.405 18 HA ASP 3 HA ASP 3 9.657 8.373 0.905 19 1HB ASP 3 2HB ASP 3 8.587 8.208 -1.571 20 2HB ASP 3 1HB ASP 3 8.873 6.821 -0.399 21 H GLY 4 H GLY 4 10.477 9.286 -1.409 22 1HA GLY 4 1HA GLY 4 10.189 11.464 -2.746 23 2HA GLY 4 2HA GLY 4 9.685 12.141 -1.300 24 H THR 5 H THR 5 10.843 13.157 -0.171 25 HA THR 5 HA THR 5 13.809 13.379 0.091 26 HB THR 5 HB THR 5 13.855 15.505 -0.476 27 HG1 THR 5 1HG THR 5 11.161 14.917 -1.060 28 1HG2 THR 5 1HG2 THR 5 13.789 13.435 -2.362 29 2HG2 THR 5 3HG2 THR 5 12.436 14.437 -3.002 30 3HG2 THR 5 2HG2 THR 5 14.109 15.094 -2.885 31 H TRP 6 H TRP 6 14.354 14.578 1.589 32 HA TRP 6 HA TRP 6 12.542 15.671 3.645 33 1HB TRP 6 2HB TRP 6 13.797 12.860 3.406 34 2HB TRP 6 1HB TRP 6 13.689 13.702 4.927 35 HD1 TRP 6 HD1 TRP 6 11.826 11.131 3.500 36 HE1 TRP 6 HE1 TRP 6 9.303 11.200 3.493 37 HE3 TRP 6 HE3 TRP 6 11.014 16.157 4.674 38 HZ2 TRP 6 HZ2 TRP 6 7.230 13.022 3.842 39 HZ3 TRP 6 HZ3 TRP 6 8.723 16.856 4.781 40 HH2 TRP 6 HH2 TRP 6 6.874 15.330 4.367 41 H LYS 7 H LYS 7 14.136 16.417 5.501 42 HA LYS 7 HA LYS 7 17.001 16.034 4.821 43 1HB LYS 7 2HB LYS 7 15.971 18.706 5.103 44 2HB LYS 7 1HB LYS 7 17.426 18.250 4.384 45 1HG LYS 7 2HG LYS 7 16.184 17.002 2.595 46 2HG LYS 7 1HG LYS 7 14.684 17.434 3.034 47 1HD LYS 7 2HD LYS 7 14.986 18.928 1.347 48 2HD LYS 7 1HD LYS 7 15.948 19.959 2.299 49 1HE LYS 7 2HE LYS 7 17.765 17.883 1.455 50 2HE LYS 7 1HE LYS 7 16.870 18.409 0.055 51 1HZ LYS 7 3HZ LYS 7 17.534 20.689 0.514 52 2HZ LYS 7 2HZ LYS 7 18.451 20.113 1.820 53 3HZ LYS 7 1HZ LYS 7 18.793 19.655 0.203 54 H VAL 8 H VAL 8 17.373 18.537 6.408 55 HA VAL 8 HA VAL 8 16.207 17.822 8.975 56 HB VAL 8 HB VAL 8 19.068 17.324 8.515 57 1HG1 VAL 8 3HG1 VAL 8 17.474 18.217 10.924 58 2HG1 VAL 8 2HG1 VAL 8 18.714 17.035 11.226 59 3HG1 VAL 8 1HG1 VAL 8 19.163 18.655 10.575 60 1HG2 VAL 8 2HG2 VAL 8 16.804 15.636 9.512 61 2HG2 VAL 8 1HG2 VAL 8 18.007 15.217 8.276 62 3HG2 VAL 8 3HG2 VAL 8 18.501 15.281 9.978 63 H ASP 9 H ASP 9 15.481 19.789 7.829 64 HA ASP 9 HA ASP 9 16.420 22.284 7.478 65 1HB ASP 9 2HB ASP 9 14.104 21.049 8.049 66 2HB ASP 9 1HB ASP 9 14.367 21.763 9.555 67 H ARG 10 H ARG 10 15.675 20.820 10.585 68 HA ARG 10 HA ARG 10 17.371 22.974 11.873 69 1HB ARG 10 2HB ARG 10 15.319 22.542 13.627 70 2HB ARG 10 1HB ARG 10 15.468 23.895 12.504 71 1HG ARG 10 2HG ARG 10 14.085 21.463 11.418 72 2HG ARG 10 1HG ARG 10 13.252 22.307 12.667 73 1HD ARG 10 2HD ARG 10 14.349 23.981 10.396 74 2HD ARG 10 1HD ARG 10 12.764 23.135 10.223 75 HE ARG 10 HE ARG 10 12.768 24.441 12.696 76 1HH1 ARG 10 1HH2 ARG 10 13.011 25.399 9.293 77 2HH1 ARG 10 2HH2 ARG 10 12.274 26.960 9.550 78 1HH2 ARG 10 2HH1 ARG 10 11.831 26.500 12.998 79 2HH2 ARG 10 1HH1 ARG 10 11.619 27.605 11.657 80 H ASN 11 H ASN 11 17.691 22.348 14.315 81 HA ASN 11 HA ASN 11 17.715 19.401 14.517 82 1HB ASN 11 2HB ASN 11 20.304 19.935 15.181 83 2HB ASN 11 1HB ASN 11 19.820 19.289 13.632 84 1HD2 ASN 11 1HD2 ASN 11 20.821 22.262 11.842 85 2HD2 ASN 11 2HD2 ASN 11 20.225 20.655 11.717 86 H GLU 12 H GLU 12 16.806 19.256 16.409 87 HA GLU 12 HA GLU 12 17.860 20.923 18.674 88 1HB GLU 12 2HB GLU 12 15.946 21.074 19.716 89 2HB GLU 12 1HB GLU 12 15.280 20.711 18.124 90 1HG GLU 12 2HG GLU 12 14.219 18.924 18.785 91 2HG GLU 12 1HG GLU 12 15.621 18.133 19.355 92 H ASN 13 H ASN 13 18.805 19.796 20.501 93 HA ASN 13 HA ASN 13 19.870 18.067 21.612 94 1HB ASN 13 2HB ASN 13 17.346 16.824 20.604 95 2HB ASN 13 1HB ASN 13 18.488 15.841 21.472 96 1HD2 ASN 13 1HD2 ASN 13 15.745 17.753 23.503 97 2HD2 ASN 13 2HD2 ASN 13 15.718 17.179 21.876 98 H TYR 14 H TYR 14 20.162 18.459 18.476 99 HA TYR 14 HA TYR 14 20.778 15.885 17.307 100 1HB TYR 14 2HB TYR 14 19.673 17.702 16.394 101 2HB TYR 14 1HB TYR 14 21.171 18.595 16.304 102 HD1 TYR 14 HD2 TYR 14 23.097 16.664 15.505 103 HD2 TYR 14 HD1 TYR 14 19.004 16.901 14.297 104 HE1 TYR 14 HE2 TYR 14 23.732 15.469 13.494 105 HE2 TYR 14 HE1 TYR 14 19.637 15.665 12.160 106 HH TYR 14 HH TYR 14 22.909 14.579 11.478 107 H GLU 15 H GLU 15 22.691 18.640 18.556 108 HA GLU 15 HA GLU 15 25.254 17.619 17.799 109 1HB GLU 15 2HB GLU 15 24.373 19.973 18.769 110 2HB GLU 15 1HB GLU 15 25.295 19.313 20.167 111 1HG GLU 15 2HG GLU 15 27.103 18.744 18.320 112 2HG GLU 15 1HG GLU 15 26.226 19.958 17.324 113 H LYS 16 H LYS 16 23.384 17.539 20.900 114 HA LYS 16 HA LYS 16 25.375 16.166 22.504 115 1HB LYS 16 2HB LYS 16 23.623 17.728 23.212 116 2HB LYS 16 1HB LYS 16 22.500 16.375 23.105 117 1HG LYS 16 2HG LYS 16 23.776 15.092 24.717 118 2HG LYS 16 1HG LYS 16 25.104 16.316 24.702 119 1HD LYS 16 2HD LYS 16 23.927 17.228 26.461 120 2HD LYS 16 1HD LYS 16 23.031 17.955 25.258 121 1HE LYS 16 2HE LYS 16 21.333 17.070 26.637 122 2HE LYS 16 1HE LYS 16 21.402 15.776 25.420 123 1HZ LYS 16 2HZ LYS 16 22.921 15.740 27.934 124 2HZ LYS 16 1HZ LYS 16 21.381 15.064 27.688 125 3HZ LYS 16 3HZ LYS 16 22.724 14.494 26.817 126 H PHE 17 H PHE 17 22.896 15.111 20.189 127 HA PHE 17 HA PHE 17 22.437 12.476 21.253 128 1HB PHE 17 2HB PHE 17 20.623 12.841 19.985 129 2HB PHE 17 1HB PHE 17 21.436 14.048 19.023 130 HD1 PHE 17 HD1 PHE 17 20.601 10.438 19.394 131 HD2 PHE 17 HD2 PHE 17 22.469 13.382 16.910 132 HE1 PHE 17 HE1 PHE 17 20.624 8.843 17.539 133 HE2 PHE 17 HE2 PHE 17 22.509 11.800 15.039 134 HZ PHE 17 HZ PHE 17 21.585 9.509 15.317 135 H MET 18 H MET 18 24.480 14.006 18.937 136 HA MET 18 HA MET 18 25.712 11.685 17.639 137 1HB MET 18 2HB MET 18 25.807 14.663 17.637 138 2HB MET 18 1HB MET 18 27.360 13.830 17.267 139 1HG MET 18 2HG MET 18 25.903 12.294 15.688 140 2HG MET 18 1HG MET 18 24.639 13.461 15.933 141 1HE MET 18 2HE MET 18 25.843 16.168 15.969 142 2HE MET 18 1HE MET 18 27.522 15.566 16.295 143 3HE MET 18 3HE MET 18 27.212 16.600 14.892 144 H GLU 19 H GLU 19 26.584 14.241 19.876 145 HA GLU 19 HA GLU 19 29.192 13.833 20.424 146 1HB GLU 19 2HB GLU 19 27.064 15.243 21.570 147 2HB GLU 19 1HB GLU 19 27.462 14.141 22.848 148 1HG GLU 19 2HG GLU 19 28.809 15.766 23.528 149 2HG GLU 19 1HG GLU 19 29.942 14.830 22.527 150 H LYS 20 H LYS 20 26.491 12.427 22.284 151 HA LYS 20 HA LYS 20 27.871 11.156 24.277 152 1HB LYS 20 2HB LYS 20 25.169 10.436 23.223 153 2HB LYS 20 1HB LYS 20 25.941 9.919 24.756 154 1HG LYS 20 2HG LYS 20 25.948 12.815 24.072 155 2HG LYS 20 1HG LYS 20 24.449 12.018 24.798 156 1HD LYS 20 2HD LYS 20 27.246 11.960 25.902 157 2HD LYS 20 1HD LYS 20 25.990 13.015 26.480 158 1HE LYS 20 2HE LYS 20 25.539 11.442 28.012 159 2HE LYS 20 1HE LYS 20 24.775 10.466 26.638 160 1HZ LYS 20 2HZ LYS 20 27.657 10.365 27.140 161 2HZ LYS 20 1HZ LYS 20 26.591 9.488 28.142 162 3HZ LYS 20 3HZ LYS 20 26.615 9.230 26.494 163 H MET 21 H MET 21 27.471 9.996 20.939 164 HA MET 21 HA MET 21 28.051 7.174 21.587 165 1HB MET 21 2HB MET 21 28.163 7.986 18.820 166 2HB MET 21 1HB MET 21 27.386 6.572 19.612 167 1HG MET 21 2HG MET 21 25.892 8.962 20.368 168 2HG MET 21 1HG MET 21 26.180 8.947 18.621 169 1HE MET 21 2HE MET 21 24.275 8.460 21.222 170 2HE MET 21 1HE MET 21 22.880 8.248 20.144 171 3HE MET 21 3HE MET 21 23.372 6.917 21.225 172 H GLY 22 H GLY 22 29.787 10.023 21.022 173 1HA GLY 22 1HA GLY 22 32.245 9.632 21.442 174 2HA GLY 22 2HA GLY 22 32.245 8.491 20.105 175 H ILE 23 H ILE 23 30.180 11.130 19.503 176 HA ILE 23 HA ILE 23 31.691 12.043 17.258 177 HB ILE 23 HB ILE 23 29.267 12.958 18.704 178 1HG1 ILE 23 2HG1 ILE 23 28.048 11.915 16.947 179 2HG1 ILE 23 1HG1 ILE 23 29.356 12.269 15.766 180 1HG2 ILE 23 1HG2 ILE 23 30.853 14.557 16.804 181 2HG2 ILE 23 3HG2 ILE 23 29.155 14.439 16.346 182 3HG2 ILE 23 2HG2 ILE 23 29.607 15.090 17.933 183 1HD1 ILE 23 1HD1 ILE 23 30.733 10.394 16.904 184 2HD1 ILE 23 3HD1 ILE 23 29.348 10.040 17.911 185 3HD1 ILE 23 2HD1 ILE 23 29.229 9.835 16.175 186 H ASN 24 H ASN 24 33.662 13.053 17.878 187 HA ASN 24 HA ASN 24 33.850 14.785 20.191 188 1HB ASN 24 2HB ASN 24 35.759 13.998 18.221 189 2HB ASN 24 1HB ASN 24 36.019 15.437 19.257 190 1HD2 ASN 24 1HD2 ASN 24 35.148 11.940 21.323 191 2HD2 ASN 24 2HD2 ASN 24 34.169 12.500 19.997 192 H VAL 25 H VAL 25 34.977 16.984 19.656 193 HA VAL 25 HA VAL 25 33.042 18.784 18.671 194 HB VAL 25 HB VAL 25 34.069 20.552 19.054 195 1HG1 VAL 25 3HG1 VAL 25 33.955 18.384 21.127 196 2HG1 VAL 25 2HG1 VAL 25 34.226 20.091 21.570 197 3HG1 VAL 25 1HG1 VAL 25 32.733 19.578 20.710 198 1HG2 VAL 25 2HG2 VAL 25 36.592 19.403 18.786 199 2HG2 VAL 25 1HG2 VAL 25 36.378 20.670 19.995 200 3HG2 VAL 25 3HG2 VAL 25 36.300 18.948 20.484 201 H VAL 26 H VAL 26 35.483 17.235 16.716 202 HA VAL 26 HA VAL 26 36.148 19.097 14.812 203 HB VAL 26 HB VAL 26 36.394 17.259 13.256 204 1HG1 VAL 26 3HG1 VAL 26 37.810 18.006 15.553 205 2HG1 VAL 26 2HG1 VAL 26 37.744 16.254 15.714 206 3HG1 VAL 26 1HG1 VAL 26 38.429 16.990 14.235 207 1HG2 VAL 26 1HG2 VAL 26 34.413 15.976 14.660 208 2HG2 VAL 26 3HG2 VAL 26 35.791 15.003 14.070 209 3HG2 VAL 26 2HG2 VAL 26 35.724 15.507 15.736 210 H LYS 27 H LYS 27 33.114 17.628 15.461 211 HA LYS 27 HA LYS 27 31.805 18.158 12.909 212 1HB LYS 27 2HB LYS 27 30.443 17.562 15.461 213 2HB LYS 27 1HB LYS 27 29.955 17.248 13.793 214 1HG LYS 27 2HG LYS 27 31.963 15.674 15.539 215 2HG LYS 27 1HG LYS 27 30.572 15.099 14.818 216 1HD LYS 27 2HD LYS 27 32.812 16.199 13.054 217 2HD LYS 27 1HD LYS 27 33.016 14.589 13.737 218 1HE LYS 27 2HE LYS 27 31.862 13.766 11.948 219 2HE LYS 27 1HE LYS 27 30.401 14.432 12.688 220 1HZ LYS 27 1HZ LYS 27 31.054 16.515 11.321 221 2HZ LYS 27 3HZ LYS 27 31.982 15.424 10.459 222 3HZ LYS 27 2HZ LYS 27 30.324 15.176 10.599 223 H ARG 28 H ARG 28 32.310 19.673 16.055 224 HA ARG 28 HA ARG 28 30.336 21.665 15.987 225 1HB ARG 28 2HB ARG 28 32.454 21.157 17.768 226 2HB ARG 28 1HB ARG 28 32.587 22.870 17.196 227 1HG ARG 28 2HG ARG 28 30.005 22.860 17.506 228 2HG ARG 28 1HG ARG 28 30.281 21.482 18.541 229 1HD ARG 28 2HD ARG 28 31.385 24.308 18.824 230 2HD ARG 28 1HD ARG 28 30.238 23.591 19.831 231 HE ARG 28 HE ARG 28 31.955 22.059 20.716 232 1HH1 ARG 28 2HH1 ARG 28 33.037 25.189 19.215 233 2HH1 ARG 28 1HH1 ARG 28 34.471 25.215 20.165 234 1HH2 ARG 28 1HH2 ARG 28 33.893 22.246 21.871 235 2HH2 ARG 28 2HH2 ARG 28 34.954 23.621 21.631 236 H LYS 29 H LYS 29 33.218 21.198 14.226 237 HA LYS 29 HA LYS 29 33.601 23.994 13.285 238 1HB LYS 29 2HB LYS 29 35.092 21.876 11.978 239 2HB LYS 29 1HB LYS 29 35.547 23.515 12.556 240 1HG LYS 29 2HG LYS 29 35.187 21.035 14.287 241 2HG LYS 29 1HG LYS 29 36.744 21.641 13.770 242 1HD LYS 29 2HD LYS 29 34.893 23.379 15.434 243 2HD LYS 29 1HD LYS 29 36.016 22.304 16.168 244 1HE LYS 29 2HE LYS 29 37.789 23.716 15.880 245 2HE LYS 29 1HE LYS 29 37.460 23.887 14.151 246 1HZ LYS 29 2HZ LYS 29 35.669 25.451 14.831 247 2HZ LYS 29 1HZ LYS 29 36.239 25.304 16.424 248 3HZ LYS 29 3HZ LYS 29 37.244 25.928 15.234 249 H LEU 30 H LEU 30 31.215 23.741 12.675 250 HA LEU 30 HA LEU 30 29.743 23.717 10.942 251 1HB LEU 30 2HB LEU 30 31.791 22.691 8.943 252 2HB LEU 30 1HB LEU 30 30.362 23.678 8.694 253 HG LEU 30 HG LEU 30 32.632 24.747 10.398 254 1HD1 LEU 30 2HD1 LEU 30 33.666 23.602 8.308 255 2HD1 LEU 30 1HD1 LEU 30 32.803 24.799 7.333 256 3HD1 LEU 30 3HD1 LEU 30 34.034 25.305 8.546 257 1HD2 LEU 30 2HD2 LEU 30 30.568 26.121 9.940 258 2HD2 LEU 30 1HD2 LEU 30 32.084 26.902 9.408 259 3HD2 LEU 30 3HD2 LEU 30 30.984 26.203 8.211 260 H GLY 31 H GLY 31 28.810 21.978 12.035 261 1HA GLY 31 1HA GLY 31 28.418 19.501 10.490 262 2HA GLY 31 2HA GLY 31 29.309 19.257 11.994 263 H ALA 32 H ALA 32 26.906 21.800 11.951 264 HA ALA 32 HA ALA 32 25.071 19.964 13.421 265 1HB ALA 32 3HB ALA 32 26.409 22.347 14.459 266 2HB ALA 32 2HB ALA 32 24.640 22.444 14.534 267 3HB ALA 32 1HB ALA 32 25.468 21.027 15.259 268 H HIS 33 H HIS 33 25.214 23.339 12.142 269 HA HIS 33 HA HIS 33 22.398 23.394 11.588 270 1HB HIS 33 2HB HIS 33 23.595 25.532 11.620 271 2HB HIS 33 1HB HIS 33 24.804 24.925 10.422 272 HD1 HIS 33 HD1 HIS 33 21.318 26.374 10.691 273 HD2 HIS 33 HD2 HIS 33 24.106 24.991 7.788 274 HE1 HIS 33 HE1 HIS 33 20.448 27.092 8.425 275 HE2 HIS 33 HE2 HIS 33 22.088 26.279 6.665 276 H ASP 34 H ASP 34 25.152 22.046 10.095 277 HA ASP 34 HA ASP 34 24.242 21.831 7.368 278 1HB ASP 34 2HB ASP 34 26.350 20.081 8.457 279 2HB ASP 34 1HB ASP 34 26.067 20.874 6.878 280 H ASN 35 H ASN 35 24.885 19.122 6.828 281 HA ASN 35 HA ASN 35 24.006 16.897 6.957 282 1HB ASN 35 2HB ASN 35 23.397 17.727 9.401 283 2HB ASN 35 1HB ASN 35 21.812 17.970 8.611 284 1HD2 ASN 35 2HD2 ASN 35 23.334 14.062 8.825 285 2HD2 ASN 35 1HD2 ASN 35 24.438 15.421 8.704 286 H LEU 36 H LEU 36 21.861 15.966 5.866 287 HA LEU 36 HA LEU 36 19.832 17.989 5.541 288 1HB LEU 36 2HB LEU 36 19.906 18.493 3.240 289 2HB LEU 36 1HB LEU 36 21.245 19.129 4.054 290 HG LEU 36 HG LEU 36 21.594 16.357 2.933 291 1HD1 LEU 36 3HD1 LEU 36 20.954 18.720 1.250 292 2HD1 LEU 36 2HD1 LEU 36 22.401 17.783 0.722 293 3HD1 LEU 36 1HD1 LEU 36 20.848 16.988 0.801 294 1HD2 LEU 36 2HD2 LEU 36 23.104 19.040 3.150 295 2HD2 LEU 36 1HD2 LEU 36 23.400 17.728 4.250 296 3HD2 LEU 36 3HD2 LEU 36 23.913 17.553 2.530 297 H LYS 37 H LYS 37 19.700 16.749 2.476 298 HA LYS 37 HA LYS 37 17.351 15.565 3.028 299 1HB LYS 37 2HB LYS 37 18.641 16.249 0.702 300 2HB LYS 37 1HB LYS 37 18.616 14.487 0.569 301 1HG LYS 37 2HG LYS 37 16.195 14.574 1.082 302 2HG LYS 37 1HG LYS 37 16.242 16.337 0.832 303 1HD LYS 37 2HD LYS 37 16.956 14.016 -1.008 304 2HD LYS 37 1HD LYS 37 15.627 15.109 -1.297 305 1HE LYS 37 2HE LYS 37 17.334 17.012 -1.583 306 2HE LYS 37 1HE LYS 37 18.643 15.903 -1.373 307 1HZ LYS 37 3HZ LYS 37 16.682 15.155 -3.388 308 2HZ LYS 37 2HZ LYS 37 17.667 16.480 -3.755 309 3HZ LYS 37 1HZ LYS 37 18.390 15.022 -3.362 310 H LEU 38 H LEU 38 17.501 14.219 4.780 311 HA LEU 38 HA LEU 38 18.832 11.782 5.027 312 1HB LEU 38 2HB LEU 38 16.664 12.697 6.493 313 2HB LEU 38 1HB LEU 38 15.820 12.164 5.159 314 HG LEU 38 HG LEU 38 15.730 10.626 7.119 315 1HD1 LEU 38 1HD1 LEU 38 15.547 9.614 4.862 316 2HD1 LEU 38 3HD1 LEU 38 17.290 9.158 4.934 317 3HD1 LEU 38 2HD1 LEU 38 16.169 8.513 6.102 318 1HD2 LEU 38 1HD2 LEU 38 18.766 10.564 6.599 319 2HD2 LEU 38 3HD2 LEU 38 17.929 10.745 8.175 320 3HD2 LEU 38 2HD2 LEU 38 17.950 9.164 7.315 321 H THR 39 H THR 39 15.994 12.994 3.452 322 HA THR 39 HA THR 39 14.733 12.595 1.741 323 HB THR 39 HB THR 39 16.742 10.699 0.541 324 HG1 THR 39 1HG THR 39 17.965 12.571 -0.003 325 1HG2 THR 39 1HG2 THR 39 14.502 11.455 -0.596 326 2HG2 THR 39 3HG2 THR 39 15.345 13.004 -0.966 327 3HG2 THR 39 2HG2 THR 39 15.969 11.525 -1.639 328 H ILE 40 H ILE 40 13.207 10.784 1.017 329 HA ILE 40 HA ILE 40 14.012 8.034 2.022 330 HB ILE 40 HB ILE 40 11.505 9.469 2.623 331 1HG1 ILE 40 2HG1 ILE 40 13.558 8.295 4.532 332 2HG1 ILE 40 1HG1 ILE 40 13.589 9.915 4.047 333 1HG2 ILE 40 2HG2 ILE 40 11.959 6.533 2.509 334 2HG2 ILE 40 1HG2 ILE 40 11.269 7.095 4.042 335 3HG2 ILE 40 3HG2 ILE 40 10.463 7.496 2.508 336 1HD1 ILE 40 2HD1 ILE 40 10.977 9.910 4.753 337 2HD1 ILE 40 1HD1 ILE 40 11.514 8.529 5.761 338 3HD1 ILE 40 3HD1 ILE 40 12.201 10.107 6.061 339 H THR 41 H THR 41 13.513 6.313 0.823 340 HA THR 41 HA THR 41 11.605 6.776 -1.443 341 HB THR 41 HB THR 41 13.990 5.103 -1.917 342 HG1 THR 41 1HG THR 41 14.615 7.220 -1.328 343 1HG2 THR 41 3HG2 THR 41 11.529 5.993 -3.226 344 2HG2 THR 41 2HG2 THR 41 12.810 6.824 -4.084 345 3HG2 THR 41 1HG2 THR 41 12.775 5.028 -3.984 346 H GLN 42 H GLN 42 10.133 5.391 -1.325 347 HA GLN 42 HA GLN 42 9.984 3.263 0.599 348 1HB GLN 42 2HB GLN 42 8.195 4.702 0.092 349 2HB GLN 42 1HB GLN 42 8.302 4.443 -1.656 350 1HG GLN 42 2HG GLN 42 7.656 1.926 -1.113 351 2HG GLN 42 1HG GLN 42 7.202 2.493 0.444 352 1HE2 GLN 42 1HE2 GLN 42 4.168 3.882 -0.411 353 2HE2 GLN 42 2HE2 GLN 42 5.376 3.492 0.795 354 H GLU 43 H GLU 43 10.544 1.171 0.193 355 HA GLU 43 HA GLU 43 10.580 0.301 -2.693 356 1HB GLU 43 2HB GLU 43 12.782 0.774 -1.025 357 2HB GLU 43 1HB GLU 43 12.560 -0.994 -1.030 358 1HG GLU 43 2HG GLU 43 13.741 -0.993 -2.969 359 2HG GLU 43 1HG GLU 43 12.285 -0.086 -3.742 360 H GLY 44 H GLY 44 10.821 -2.196 -2.592 361 1HA GLY 44 1HA GLY 44 8.555 -3.269 -1.218 362 2HA GLY 44 2HA GLY 44 9.757 -4.171 -2.262 363 H ASN 45 H ASN 45 9.036 -2.931 0.893 364 HA ASN 45 HA ASN 45 9.509 -3.492 2.990 365 1HB ASN 45 2HB ASN 45 11.280 -5.772 1.913 366 2HB ASN 45 1HB ASN 45 10.666 -5.532 3.544 367 1HD2 ASN 45 2HD2 ASN 45 7.145 -6.087 2.078 368 2HD2 ASN 45 1HD2 ASN 45 7.969 -4.720 2.700 369 H LYS 46 H LYS 46 11.400 -1.878 1.151 370 HA LYS 46 HA LYS 46 13.604 -1.602 3.168 371 1HB LYS 46 2HB LYS 46 15.127 -2.315 1.673 372 2HB LYS 46 1HB LYS 46 13.876 -2.439 0.394 373 1HG LYS 46 2HG LYS 46 14.264 0.041 -0.073 374 2HG LYS 46 1HG LYS 46 15.646 -0.050 1.048 375 1HD LYS 46 2HD LYS 46 15.319 -1.069 -1.702 376 2HD LYS 46 1HD LYS 46 16.714 -0.437 -0.850 377 1HE LYS 46 2HE LYS 46 17.201 -2.591 0.126 378 2HE LYS 46 1HE LYS 46 15.613 -3.278 -0.265 379 1HZ LYS 46 2HZ LYS 46 16.365 -2.714 -2.671 380 2HZ LYS 46 1HZ LYS 46 17.872 -2.820 -1.976 381 3HZ LYS 46 3HZ LYS 46 16.835 -4.161 -1.900 382 H PHE 47 H PHE 47 14.697 0.453 2.747 383 HA PHE 47 HA PHE 47 13.234 2.239 0.944 384 1HB PHE 47 2HB PHE 47 14.051 3.368 3.709 385 2HB PHE 47 1HB PHE 47 13.255 4.130 2.296 386 HD1 PHE 47 HD2 PHE 47 11.134 2.215 1.686 387 HD2 PHE 47 HD1 PHE 47 12.326 3.787 5.483 388 HE1 PHE 47 HE2 PHE 47 8.879 1.872 2.495 389 HE2 PHE 47 HE1 PHE 47 10.058 3.451 6.305 390 HZ PHE 47 HZ PHE 47 8.298 2.480 4.798 391 H THR 48 H THR 48 14.647 2.915 -0.319 392 HA THR 48 HA THR 48 17.495 3.109 0.461 393 HB THR 48 HB THR 48 16.189 4.036 -2.179 394 HG1 THR 48 1HG THR 48 16.869 2.032 -2.914 395 1HG2 THR 48 3HG2 THR 48 18.984 4.199 -1.209 396 2HG2 THR 48 2HG2 THR 48 18.893 2.941 -2.481 397 3HG2 THR 48 1HG2 THR 48 18.407 4.582 -2.826 398 H VAL 49 H VAL 49 17.413 4.539 2.071 399 HA VAL 49 HA VAL 49 16.041 7.142 1.512 400 HB VAL 49 HB VAL 49 16.720 7.732 3.801 401 1HG1 VAL 49 3HG1 VAL 49 14.476 6.583 3.157 402 2HG1 VAL 49 2HG1 VAL 49 15.081 5.222 4.133 403 3HG1 VAL 49 1HG1 VAL 49 14.864 6.839 4.838 404 1HG2 VAL 49 1HG2 VAL 49 18.559 5.755 4.023 405 2HG2 VAL 49 3HG2 VAL 49 17.512 6.027 5.427 406 3HG2 VAL 49 2HG2 VAL 49 17.139 4.740 4.277 407 H LYS 50 H LYS 50 17.348 9.024 1.424 408 HA LYS 50 HA LYS 50 20.045 8.372 0.335 409 1HB LYS 50 2HB LYS 50 18.269 10.147 -0.447 410 2HB LYS 50 1HB LYS 50 18.774 11.098 0.933 411 1HG LYS 50 2HG LYS 50 21.132 11.139 -0.069 412 2HG LYS 50 1HG LYS 50 20.540 10.117 -1.393 413 1HD LYS 50 2HD LYS 50 18.736 12.017 -1.682 414 2HD LYS 50 1HD LYS 50 20.098 13.009 -0.979 415 1HE LYS 50 2HE LYS 50 21.583 11.611 -2.649 416 2HE LYS 50 1HE LYS 50 19.998 11.366 -3.471 417 1HZ LYS 50 1HZ LYS 50 19.980 13.988 -2.860 418 2HZ LYS 50 3HZ LYS 50 21.605 13.714 -3.190 419 3HZ LYS 50 2HZ LYS 50 20.440 13.324 -4.327 420 H GLU 51 H GLU 51 20.301 11.310 1.632 421 HA GLU 51 HA GLU 51 20.385 11.997 3.724 422 1HB GLU 51 2HB GLU 51 20.623 9.584 4.837 423 2HB GLU 51 1HB GLU 51 22.225 9.506 4.093 424 1HG GLU 51 2HG GLU 51 22.290 11.861 5.599 425 2HG GLU 51 1HG GLU 51 21.260 10.743 6.552 426 H SER 52 H SER 52 21.316 12.922 1.660 427 HA SER 52 HA SER 52 24.252 12.621 1.417 428 1HB SER 52 2HB SER 52 22.798 12.774 -0.657 429 2HB SER 52 1HB SER 52 22.298 14.406 -0.063 430 HG SER 52 HG SER 52 24.193 15.179 -0.512 431 H SER 53 H SER 53 23.966 13.317 3.780 432 HA SER 53 HA SER 53 23.162 15.879 4.510 433 1HB SER 53 2HB SER 53 24.990 15.399 6.386 434 2HB SER 53 1HB SER 53 23.297 14.798 6.418 435 HG SER 53 HG SER 53 25.646 13.429 5.861 436 H ASN 54 H ASN 54 25.380 17.173 5.929 437 HA ASN 54 HA ASN 54 26.497 18.343 3.581 438 1HB ASN 54 2HB ASN 54 25.841 19.756 5.299 439 2HB ASN 54 1HB ASN 54 26.975 19.046 6.490 440 1HD2 ASN 54 2HD2 ASN 54 28.823 20.976 3.316 441 2HD2 ASN 54 1HD2 ASN 54 27.769 19.640 2.991 442 H PHE 55 H PHE 55 27.465 15.495 3.842 443 HA PHE 55 HA PHE 55 30.319 16.091 4.314 444 1HB PHE 55 2HB PHE 55 28.474 14.403 5.987 445 2HB PHE 55 1HB PHE 55 30.224 13.980 5.896 446 HD1 PHE 55 HD2 PHE 55 31.685 16.386 6.315 447 HD2 PHE 55 HD1 PHE 55 27.768 15.462 7.766 448 HE1 PHE 55 HE2 PHE 55 31.950 18.062 8.145 449 HE2 PHE 55 HE1 PHE 55 28.005 17.079 9.550 450 HZ PHE 55 HZ PHE 55 30.165 18.435 9.779 451 H ARG 56 H ARG 56 28.337 13.064 4.632 452 HA ARG 56 HA ARG 56 30.204 11.911 2.657 453 1HB ARG 56 2HB ARG 56 30.063 10.977 5.014 454 2HB ARG 56 1HB ARG 56 28.431 10.383 4.622 455 1HG ARG 56 2HG ARG 56 29.555 9.325 2.515 456 2HG ARG 56 1HG ARG 56 31.101 9.590 3.281 457 1HD ARG 56 2HD ARG 56 29.465 8.439 5.308 458 2HD ARG 56 1HD ARG 56 29.054 7.567 3.822 459 HE ARG 56 HE ARG 56 31.922 7.907 4.429 460 1HH1 ARG 56 1HH1 ARG 56 29.038 5.736 4.437 461 2HH1 ARG 56 2HH1 ARG 56 29.978 4.305 4.563 462 1HH2 ARG 56 2HH2 ARG 56 33.082 5.962 4.609 463 2HH2 ARG 56 1HH2 ARG 56 32.314 4.421 4.672 464 H ASN 57 H ASN 57 28.831 13.006 1.220 465 HA ASN 57 HA ASN 57 26.124 12.623 0.735 466 1HB ASN 57 2HB ASN 57 26.864 14.096 -0.778 467 2HB ASN 57 1HB ASN 57 28.563 13.432 -0.716 468 1HD2 ASN 57 1HD2 ASN 57 26.018 12.082 -3.638 469 2HD2 ASN 57 2HD2 ASN 57 25.363 12.980 -2.283 470 H ILE 58 H ILE 58 25.052 10.829 0.508 471 HA ILE 58 HA ILE 58 25.535 8.710 -1.300 472 HB ILE 58 HB ILE 58 27.308 8.524 0.725 473 1HG1 ILE 58 2HG1 ILE 58 26.118 5.888 0.418 474 2HG1 ILE 58 1HG1 ILE 58 26.370 6.711 -1.172 475 1HG2 ILE 58 3HG2 ILE 58 25.618 8.683 2.526 476 2HG2 ILE 58 2HG2 ILE 58 24.819 7.206 1.942 477 3HG2 ILE 58 1HG2 ILE 58 26.467 7.142 2.529 478 1HD1 ILE 58 1HD1 ILE 58 28.487 6.608 1.028 479 2HD1 ILE 58 3HD1 ILE 58 28.376 5.334 -0.183 480 3HD1 ILE 58 2HD1 ILE 58 28.762 7.020 -0.667 481 H ASP 59 H ASP 59 24.308 6.814 -0.576 482 HA ASP 59 HA ASP 59 21.787 7.736 0.814 483 1HB ASP 59 2HB ASP 59 20.774 5.913 -0.784 484 2HB ASP 59 1HB ASP 59 21.125 7.467 -1.489 485 H VAL 60 H VAL 60 20.753 6.110 1.937 486 HA VAL 60 HA VAL 60 22.450 3.651 2.410 487 HB VAL 60 HB VAL 60 20.715 4.967 4.500 488 1HG1 VAL 60 3HG1 VAL 60 22.869 2.811 4.525 489 2HG1 VAL 60 2HG1 VAL 60 22.307 3.652 5.970 490 3HG1 VAL 60 1HG1 VAL 60 21.165 2.677 5.026 491 1HG2 VAL 60 1HG2 VAL 60 22.727 6.450 3.702 492 2HG2 VAL 60 3HG2 VAL 60 22.855 5.997 5.419 493 3HG2 VAL 60 2HG2 VAL 60 23.780 5.124 4.146 494 H VAL 61 H VAL 61 21.386 1.802 2.049 495 HA VAL 61 HA VAL 61 18.376 1.890 1.950 496 HB VAL 61 HB VAL 61 18.797 1.552 -0.176 497 1HG1 VAL 61 3HG1 VAL 61 21.495 0.422 0.692 498 2HG1 VAL 61 2HG1 VAL 61 20.966 0.139 -0.981 499 3HG1 VAL 61 1HG1 VAL 61 21.142 1.803 -0.383 500 1HG2 VAL 61 1HG2 VAL 61 17.869 -0.719 0.777 501 2HG2 VAL 61 3HG2 VAL 61 18.688 -0.843 -0.802 502 3HG2 VAL 61 2HG2 VAL 61 19.492 -1.349 0.704 503 H PHE 62 H PHE 62 17.312 0.456 3.064 504 HA PHE 62 HA PHE 62 18.716 -2.007 4.006 505 1HB PHE 62 2HB PHE 62 17.715 -1.414 6.349 506 2HB PHE 62 1HB PHE 62 19.296 -0.867 5.861 507 HD1 PHE 62 HD1 PHE 62 19.513 1.570 5.044 508 HD2 PHE 62 HD2 PHE 62 15.943 0.041 6.823 509 HE1 PHE 62 HE1 PHE 62 18.795 3.887 5.469 510 HE2 PHE 62 HE2 PHE 62 15.125 2.380 7.296 511 HZ PHE 62 HZ PHE 62 16.600 4.291 6.595 512 H GLU 63 H GLU 63 17.423 -3.565 3.710 513 HA GLU 63 HA GLU 63 14.579 -3.429 3.123 514 1HB GLU 63 2HB GLU 63 16.651 -5.528 3.288 515 2HB GLU 63 1HB GLU 63 14.974 -6.078 3.772 516 1HG GLU 63 2HG GLU 63 14.110 -5.633 1.639 517 2HG GLU 63 1HG GLU 63 15.245 -4.388 1.275 518 H LEU 64 H LEU 64 14.175 -1.972 5.011 519 HA LEU 64 HA LEU 64 13.548 -1.537 7.131 520 1HB LEU 64 2HB LEU 64 11.897 -3.565 5.881 521 2HB LEU 64 1HB LEU 64 11.651 -3.484 7.643 522 HG LEU 64 HG LEU 64 11.778 -0.857 6.293 523 1HD1 LEU 64 1HD1 LEU 64 10.576 -2.576 4.724 524 2HD1 LEU 64 3HD1 LEU 64 9.253 -2.523 5.910 525 3HD1 LEU 64 2HD1 LEU 64 9.717 -1.047 5.010 526 1HD2 LEU 64 3HD2 LEU 64 9.889 -2.348 8.278 527 2HD2 LEU 64 2HD2 LEU 64 10.919 -0.952 8.645 528 3HD2 LEU 64 1HD2 LEU 64 9.439 -0.742 7.686 529 H GLY 65 H GLY 65 15.625 -2.167 8.518 530 1HA GLY 65 1HA GLY 65 16.026 -3.119 10.541 531 2HA GLY 65 2HA GLY 65 15.001 -4.433 10.299 532 H VAL 66 H VAL 66 18.024 -3.258 8.599 533 HA VAL 66 HA VAL 66 18.948 -6.139 8.503 534 HB VAL 66 HB VAL 66 20.599 -4.951 6.830 535 1HG1 VAL 66 2HG1 VAL 66 18.432 -6.734 6.674 536 2HG1 VAL 66 1HG1 VAL 66 17.899 -5.416 5.616 537 3HG1 VAL 66 3HG1 VAL 66 19.407 -6.225 5.258 538 1HG2 VAL 66 3HG2 VAL 66 19.386 -2.666 7.268 539 2HG2 VAL 66 2HG2 VAL 66 19.685 -3.079 5.600 540 3HG2 VAL 66 1HG2 VAL 66 18.059 -3.366 6.320 541 H ASP 67 H ASP 67 21.492 -6.259 8.751 542 HA ASP 67 HA ASP 67 22.162 -4.457 11.071 543 1HB ASP 67 2HB ASP 67 23.428 -6.139 11.956 544 2HB ASP 67 1HB ASP 67 21.704 -6.478 11.816 545 H PHE 68 H PHE 68 23.495 -2.872 10.607 546 HA PHE 68 HA PHE 68 26.054 -3.607 9.238 547 1HB PHE 68 2HB PHE 68 24.850 -0.999 8.436 548 2HB PHE 68 1HB PHE 68 26.295 -1.861 7.855 549 HD1 PHE 68 HD2 PHE 68 25.536 -4.381 6.861 550 HD2 PHE 68 HD1 PHE 68 23.016 -0.911 7.111 551 HE1 PHE 68 HE2 PHE 68 24.034 -5.320 5.075 552 HE2 PHE 68 HE1 PHE 68 21.583 -1.800 5.409 553 HZ PHE 68 HZ PHE 68 22.049 -4.033 4.336 554 H ALA 69 H ALA 69 27.662 -3.046 10.385 555 HA ALA 69 HA ALA 69 27.352 -1.157 12.639 556 1HB ALA 69 2HB ALA 69 29.129 -3.301 11.895 557 2HB ALA 69 1HB ALA 69 30.147 -1.846 11.994 558 3HB ALA 69 3HB ALA 69 29.120 -2.342 13.396 559 H TYR 70 H TYR 70 26.617 0.575 11.590 560 HA TYR 70 HA TYR 70 28.577 2.167 9.989 561 1HB TYR 70 2HB TYR 70 26.396 1.789 8.888 562 2HB TYR 70 1HB TYR 70 25.539 2.346 10.358 563 HD1 TYR 70 HD1 TYR 70 28.566 3.944 8.701 564 HD2 TYR 70 HD2 TYR 70 24.410 4.301 9.684 565 HE1 TYR 70 HE1 TYR 70 28.565 6.288 7.937 566 HE2 TYR 70 HE2 TYR 70 24.388 6.641 8.939 567 HH TYR 70 HH TYR 70 27.383 8.287 8.266 568 H SER 71 H SER 71 29.749 3.285 11.586 569 HA SER 71 HA SER 71 28.573 4.216 13.955 570 1HB SER 71 2HB SER 71 30.553 5.087 14.425 571 2HB SER 71 1HB SER 71 31.167 4.209 13.070 572 HG SER 71 HG SER 71 31.292 6.021 11.954 573 H LEU 72 H LEU 72 27.206 5.566 14.371 574 HA LEU 72 HA LEU 72 25.914 7.334 12.553 575 1HB LEU 72 2HB LEU 72 24.986 6.546 14.765 576 2HB LEU 72 1HB LEU 72 26.268 7.385 15.656 577 HG LEU 72 HG LEU 72 23.883 8.402 15.392 578 1HD1 LEU 72 1HD1 LEU 72 26.273 9.590 15.977 579 2HD1 LEU 72 3HD1 LEU 72 25.958 10.478 14.506 580 3HD1 LEU 72 2HD1 LEU 72 24.751 10.533 15.827 581 1HD2 LEU 72 1HD2 LEU 72 23.991 7.976 12.820 582 2HD2 LEU 72 3HD2 LEU 72 23.392 9.574 13.314 583 3HD2 LEU 72 2HD2 LEU 72 25.048 9.374 12.716 584 H ALA 73 H ALA 73 27.187 8.457 11.433 585 HA ALA 73 HA ALA 73 28.852 9.821 10.735 586 1HB ALA 73 2HB ALA 73 26.885 11.070 10.793 587 2HB ALA 73 1HB ALA 73 27.217 11.625 12.475 588 3HB ALA 73 3HB ALA 73 28.277 12.107 11.087 589 H ASP 74 H ASP 74 30.626 8.638 11.839 590 HA ASP 74 HA ASP 74 32.730 8.841 12.634 591 1HB ASP 74 2HB ASP 74 32.015 11.512 12.967 592 2HB ASP 74 1HB ASP 74 33.128 10.901 14.230 593 H GLY 75 H GLY 75 30.048 8.534 14.746 594 1HA GLY 75 1HA GLY 75 31.451 8.645 17.261 595 2HA GLY 75 2HA GLY 75 29.896 7.912 17.011 596 H THR 76 H THR 76 29.821 5.591 16.526 597 HA THR 76 HA THR 76 32.382 4.175 16.259 598 HB THR 76 HB THR 76 30.908 4.395 18.800 599 HG1 THR 76 1HG THR 76 33.167 3.151 18.942 600 1HG2 THR 76 2HG2 THR 76 31.737 1.604 17.622 601 2HG2 THR 76 1HG2 THR 76 31.447 1.895 19.362 602 3HG2 THR 76 3HG2 THR 76 30.148 2.096 18.187 603 H GLU 77 H GLU 77 28.778 3.987 16.330 604 HA GLU 77 HA GLU 77 28.912 2.074 14.144 605 1HB GLU 77 2HB GLU 77 29.460 0.904 16.620 606 2HB GLU 77 1HB GLU 77 27.778 0.616 16.460 607 1HG GLU 77 2HG GLU 77 28.708 -1.299 15.325 608 2HG GLU 77 1HG GLU 77 28.194 -0.198 14.076 609 H LEU 78 H LEU 78 26.545 0.508 15.001 610 HA LEU 78 HA LEU 78 24.309 1.136 15.933 611 1HB LEU 78 2HB LEU 78 24.870 3.180 13.679 612 2HB LEU 78 1HB LEU 78 23.251 2.468 13.687 613 HG LEU 78 HG LEU 78 24.423 4.159 15.888 614 1HD1 LEU 78 1HD1 LEU 78 21.940 4.271 14.070 615 2HD1 LEU 78 3HD1 LEU 78 22.125 5.377 15.448 616 3HD1 LEU 78 2HD1 LEU 78 23.295 5.412 14.097 617 1HD2 LEU 78 1HD2 LEU 78 22.477 1.860 15.858 618 2HD2 LEU 78 3HD2 LEU 78 23.005 2.759 17.254 619 3HD2 LEU 78 2HD2 LEU 78 21.598 3.309 16.295 620 H THR 79 H THR 79 24.996 -0.877 15.456 621 HA THR 79 HA THR 79 24.578 -2.116 12.792 622 HB THR 79 HB THR 79 25.026 -3.313 15.503 623 HG1 THR 79 1HG THR 79 26.603 -2.001 14.854 624 1HG2 THR 79 3HG2 THR 79 24.243 -4.686 13.107 625 2HG2 THR 79 2HG2 THR 79 25.991 -4.872 13.182 626 3HG2 THR 79 1HG2 THR 79 24.987 -5.415 14.577 627 H GLY 80 H GLY 80 23.279 -4.134 15.243 628 1HA GLY 80 1HA GLY 80 21.167 -4.996 15.353 629 2HA GLY 80 2HA GLY 80 20.763 -3.293 15.808 630 H THR 81 H THR 81 19.564 -2.234 14.596 631 HA THR 81 HA THR 81 19.329 -2.440 11.672 632 HB THR 81 HB THR 81 17.547 -3.737 11.485 633 HG1 THR 81 1HG THR 81 15.765 -3.695 13.001 634 1HG2 THR 81 3HG2 THR 81 18.280 -4.625 14.242 635 2HG2 THR 81 2HG2 THR 81 16.918 -5.330 13.365 636 3HG2 THR 81 1HG2 THR 81 18.559 -5.465 12.672 637 H TRP 82 H TRP 82 16.806 -1.667 11.448 638 HA TRP 82 HA TRP 82 15.974 0.644 13.042 639 1HB TRP 82 2HB TRP 82 16.108 0.981 10.017 640 2HB TRP 82 1HB TRP 82 15.798 2.182 11.268 641 HD1 TRP 82 HD1 TRP 82 19.343 0.399 11.391 642 HE1 TRP 82 HE1 TRP 82 20.997 2.239 10.942 643 HE3 TRP 82 HE3 TRP 82 16.167 4.237 10.151 644 HZ2 TRP 82 HZ2 TRP 82 21.052 5.014 10.164 645 HZ3 TRP 82 HZ3 TRP 82 17.025 6.395 9.587 646 HH2 TRP 82 HH2 TRP 82 19.506 6.806 9.586 647 H THR 83 H THR 83 14.101 1.372 10.946 648 HA THR 83 HA THR 83 12.690 -0.221 9.434 649 HB THR 83 HB THR 83 10.916 -1.233 11.155 650 HG1 THR 83 1HG THR 83 11.675 -1.028 13.033 651 1HG2 THR 83 2HG2 THR 83 13.415 -2.558 10.058 652 2HG2 THR 83 1HG2 THR 83 12.402 -3.517 11.116 653 3HG2 THR 83 3HG2 THR 83 11.757 -2.862 9.581 654 H MET 84 H MET 84 10.166 0.122 10.035 655 HA MET 84 HA MET 84 9.764 2.517 11.672 656 1HB MET 84 2HB MET 84 8.515 3.601 9.720 657 2HB MET 84 1HB MET 84 10.000 3.119 9.064 658 1HG MET 84 2HG MET 84 9.224 1.291 7.852 659 2HG MET 84 1HG MET 84 7.952 1.030 8.964 660 1HE MET 84 3HE MET 84 7.737 0.849 5.848 661 2HE MET 84 2HE MET 84 6.383 0.504 6.940 662 3HE MET 84 1HE MET 84 6.130 1.613 5.533 663 H GLU 85 H GLU 85 6.932 2.621 10.672 664 HA GLU 85 HA GLU 85 6.018 -0.040 11.388 665 1HB GLU 85 2HB GLU 85 6.579 1.517 13.509 666 2HB GLU 85 1HB GLU 85 5.064 2.333 13.018 667 1HG GLU 85 2HG GLU 85 4.764 -0.613 13.077 668 2HG GLU 85 1HG GLU 85 5.378 -0.122 14.570 669 H GLY 86 H GLY 86 5.724 1.379 9.119 670 1HA GLY 86 1HA GLY 86 3.899 1.804 7.600 671 2HA GLY 86 2HA GLY 86 2.790 1.837 9.118 672 H ASN 87 H ASN 87 3.228 3.545 10.669 673 HA ASN 87 HA ASN 87 3.645 6.010 9.094 674 1HB ASN 87 2HB ASN 87 2.560 7.069 11.181 675 2HB ASN 87 1HB ASN 87 2.118 6.866 9.428 676 1HD2 ASN 87 2HD2 ASN 87 0.803 4.064 12.186 677 2HD2 ASN 87 1HD2 ASN 87 2.258 4.963 12.467 678 H LYS 88 H LYS 88 5.871 4.256 10.732 679 HA LYS 88 HA LYS 88 7.451 6.657 11.255 680 1HB LYS 88 2HB LYS 88 7.880 5.743 13.653 681 2HB LYS 88 1HB LYS 88 6.843 7.056 13.416 682 1HG LYS 88 2HG LYS 88 5.003 4.913 13.298 683 2HG LYS 88 1HG LYS 88 6.264 4.395 14.502 684 1HD LYS 88 2HD LYS 88 5.153 5.623 15.932 685 2HD LYS 88 1HD LYS 88 6.155 6.893 15.234 686 1HE LYS 88 2HE LYS 88 3.526 6.500 13.808 687 2HE LYS 88 1HE LYS 88 3.417 7.097 15.470 688 1HZ LYS 88 3HZ LYS 88 5.369 8.370 13.673 689 2HZ LYS 88 2HZ LYS 88 3.750 8.657 13.451 690 3HZ LYS 88 1HZ LYS 88 4.435 9.011 14.958 691 H LEU 89 H LEU 89 9.276 6.200 10.870 692 HA LEU 89 HA LEU 89 10.729 3.727 10.567 693 1HB LEU 89 2HB LEU 89 11.178 6.625 10.454 694 2HB LEU 89 1HB LEU 89 12.356 5.792 11.380 695 HG LEU 89 HG LEU 89 11.632 5.411 8.456 696 1HD1 LEU 89 3HD1 LEU 89 13.259 7.228 9.477 697 2HD1 LEU 89 2HD1 LEU 89 14.445 5.907 9.403 698 3HD1 LEU 89 1HD1 LEU 89 13.592 6.473 7.940 699 1HD2 LEU 89 2HD2 LEU 89 13.609 3.770 10.274 700 2HD2 LEU 89 1HD2 LEU 89 12.232 3.084 9.390 701 3HD2 LEU 89 3HD2 LEU 89 13.661 3.684 8.477 702 H VAL 90 H VAL 90 12.815 3.806 12.067 703 HA VAL 90 HA VAL 90 12.166 4.366 14.906 704 HB VAL 90 HB VAL 90 13.235 1.660 14.208 705 1HG1 VAL 90 1HG1 VAL 90 13.454 2.396 16.520 706 2HG1 VAL 90 3HG1 VAL 90 11.677 2.575 16.675 707 3HG1 VAL 90 2HG1 VAL 90 12.420 0.979 16.473 708 1HG2 VAL 90 3HG2 VAL 90 10.715 1.928 13.251 709 2HG2 VAL 90 2HG2 VAL 90 10.883 0.700 14.527 710 3HG2 VAL 90 1HG2 VAL 90 10.246 2.287 14.936 711 H GLY 91 H GLY 91 14.668 3.630 12.488 712 1HA GLY 91 1HA GLY 91 16.923 4.025 12.463 713 2HA GLY 91 2HA GLY 91 16.662 4.907 13.964 714 H LYS 92 H LYS 92 15.629 2.816 15.434 715 HA LYS 92 HA LYS 92 16.344 1.404 16.998 716 1HB LYS 92 2HB LYS 92 16.720 -0.294 14.510 717 2HB LYS 92 1HB LYS 92 17.024 -0.917 16.113 718 1HG LYS 92 2HG LYS 92 14.474 0.565 15.592 719 2HG LYS 92 1HG LYS 92 14.601 -1.199 15.439 720 1HD LYS 92 2HD LYS 92 15.964 -0.713 17.818 721 2HD LYS 92 1HD LYS 92 14.641 0.431 17.824 722 1HE LYS 92 2HE LYS 92 12.965 -1.386 17.572 723 2HE LYS 92 1HE LYS 92 14.241 -2.584 17.251 724 1HZ LYS 92 3HZ LYS 92 14.226 -1.093 19.813 725 2HZ LYS 92 2HZ LYS 92 13.220 -2.421 19.548 726 3HZ LYS 92 1HZ LYS 92 14.862 -2.612 19.406 727 H PHE 93 H PHE 93 18.488 -0.534 16.951 728 HA PHE 93 HA PHE 93 20.965 1.046 16.721 729 1HB PHE 93 2HB PHE 93 20.856 1.154 19.401 730 2HB PHE 93 1HB PHE 93 20.033 2.326 18.478 731 HD1 PHE 93 HD1 PHE 93 19.781 -1.189 19.710 732 HD2 PHE 93 HD2 PHE 93 17.515 2.367 19.184 733 HE1 PHE 93 HE1 PHE 93 17.923 -2.331 20.749 734 HE2 PHE 93 HE2 PHE 93 15.586 1.199 20.308 735 HZ PHE 93 HZ PHE 93 15.750 -1.108 21.055 736 H LYS 94 H LYS 94 22.192 0.575 18.658 737 HA LYS 94 HA LYS 94 22.853 -0.508 20.503 738 1HB LYS 94 2HB LYS 94 21.925 -3.012 19.035 739 2HB LYS 94 1HB LYS 94 23.394 -2.999 20.297 740 1HG LYS 94 2HG LYS 94 22.207 -2.068 21.937 741 2HG LYS 94 1HG LYS 94 21.147 -1.250 20.996 742 1HD LYS 94 2HD LYS 94 19.667 -3.159 20.827 743 2HD LYS 94 1HD LYS 94 20.931 -4.308 21.178 744 1HE LYS 94 2HE LYS 94 20.776 -2.533 23.486 745 2HE LYS 94 1HE LYS 94 19.134 -3.134 23.064 746 1HZ LYS 94 1HZ LYS 94 21.515 -4.900 23.222 747 2HZ LYS 94 3HZ LYS 94 20.503 -4.605 24.515 748 3HZ LYS 94 2HZ LYS 94 19.911 -5.318 23.101 749 H ARG 95 H ARG 95 23.914 0.953 18.874 750 HA ARG 95 HA ARG 95 25.587 0.102 16.905 751 1HB ARG 95 2HB ARG 95 26.920 2.175 17.250 752 2HB ARG 95 1HB ARG 95 25.204 2.440 16.966 753 1HG ARG 95 2HG ARG 95 26.665 2.864 19.596 754 2HG ARG 95 1HG ARG 95 25.889 4.029 18.612 755 1HD ARG 95 2HD ARG 95 24.547 3.804 20.166 756 2HD ARG 95 1HD ARG 95 23.656 2.742 19.167 757 HE ARG 95 HE ARG 95 24.191 0.894 20.562 758 1HH1 ARG 95 2HH2 ARG 95 26.477 3.376 21.289 759 2HH1 ARG 95 1HH2 ARG 95 27.507 2.484 22.290 760 1HH2 ARG 95 2HH1 ARG 95 25.227 -0.379 21.514 761 2HH2 ARG 95 1HH1 ARG 95 26.689 -0.204 22.362 762 H VAL 96 H VAL 96 27.730 1.444 19.331 763 HA VAL 96 HA VAL 96 28.451 -1.149 20.455 764 HB VAL 96 HB VAL 96 30.278 0.099 18.367 765 1HG1 VAL 96 1HG1 VAL 96 30.908 -2.238 20.281 766 2HG1 VAL 96 3HG1 VAL 96 31.925 -1.728 18.915 767 3HG1 VAL 96 2HG1 VAL 96 31.678 -0.655 20.262 768 1HG2 VAL 96 3HG2 VAL 96 28.955 -2.691 18.309 769 2HG2 VAL 96 2HG2 VAL 96 28.725 -1.276 17.216 770 3HG2 VAL 96 1HG2 VAL 96 30.265 -2.077 17.245 771 H ASP 97 H ASP 97 29.089 2.404 20.243 772 HA ASP 97 HA ASP 97 31.178 2.273 22.278 773 1HB ASP 97 2HB ASP 97 30.623 4.371 21.194 774 2HB ASP 97 1HB ASP 97 29.036 4.306 21.918 775 H ASN 98 H ASN 98 28.060 0.881 22.368 776 HA ASN 98 HA ASN 98 28.448 0.557 25.190 777 1HB ASN 98 2HB ASN 98 28.024 2.835 25.035 778 2HB ASN 98 1HB ASN 98 26.577 2.508 24.219 779 1HD2 ASN 98 2HD2 ASN 98 26.861 1.996 28.374 780 2HD2 ASN 98 1HD2 ASN 98 28.244 2.082 27.348 781 H GLY 99 H GLY 99 25.412 1.179 23.608 782 1HA GLY 99 1HA GLY 99 24.083 -1.073 22.976 783 2HA GLY 99 2HA GLY 99 23.944 -1.167 24.661 784 H LYS 100 H LYS 100 23.894 1.599 22.479 785 HA LYS 100 HA LYS 100 21.901 3.181 23.862 786 1HB LYS 100 2HB LYS 100 23.620 3.277 21.670 787 2HB LYS 100 1HB LYS 100 22.229 4.315 21.521 788 1HG LYS 100 2HG LYS 100 23.133 5.849 23.083 789 2HG LYS 100 1HG LYS 100 23.376 4.459 24.255 790 1HD LYS 100 2HD LYS 100 25.567 4.084 23.473 791 2HD LYS 100 1HD LYS 100 25.102 4.442 21.876 792 1HE LYS 100 2HE LYS 100 26.795 5.917 22.545 793 2HE LYS 100 1HE LYS 100 25.360 6.728 21.987 794 1HZ LYS 100 3HZ LYS 100 24.755 7.108 24.362 795 2HZ LYS 100 2HZ LYS 100 26.258 6.485 24.825 796 3HZ LYS 100 1HZ LYS 100 26.198 7.881 23.861 797 H GLU 101 H GLU 101 20.532 4.410 22.349 798 HA GLU 101 HA GLU 101 19.217 2.779 20.351 799 1HB GLU 101 2HB GLU 101 17.495 3.442 22.715 800 2HB GLU 101 1HB GLU 101 16.897 2.742 21.258 801 1HG GLU 101 2HG GLU 101 18.182 0.623 21.668 802 2HG GLU 101 1HG GLU 101 18.974 1.396 22.942 803 H LEU 102 H LEU 102 20.444 4.604 19.678 804 HA LEU 102 HA LEU 102 19.841 7.272 19.358 805 1HB LEU 102 2HB LEU 102 20.297 5.042 17.358 806 2HB LEU 102 1HB LEU 102 20.164 6.760 16.884 807 HG LEU 102 HG LEU 102 21.988 6.698 19.089 808 1HD1 LEU 102 3HD1 LEU 102 22.013 4.144 18.139 809 2HD1 LEU 102 2HD1 LEU 102 23.535 4.828 17.458 810 3HD1 LEU 102 1HD1 LEU 102 23.202 4.891 19.189 811 1HD2 LEU 102 3HD2 LEU 102 21.864 7.514 16.247 812 2HD2 LEU 102 2HD2 LEU 102 23.044 8.055 17.417 813 3HD2 LEU 102 1HD2 LEU 102 23.353 6.567 16.449 814 H ILE 103 H ILE 103 18.525 4.398 17.611 815 HA ILE 103 HA ILE 103 16.509 4.035 16.709 816 HB ILE 103 HB ILE 103 16.091 5.889 19.123 817 1HG1 ILE 103 2HG1 ILE 103 16.296 3.672 19.709 818 2HG1 ILE 103 1HG1 ILE 103 14.586 4.007 19.915 819 1HG2 ILE 103 3HG2 ILE 103 13.764 5.441 17.229 820 2HG2 ILE 103 2HG2 ILE 103 13.650 5.526 18.995 821 3HG2 ILE 103 1HG2 ILE 103 14.263 6.909 18.148 822 1HD1 ILE 103 2HD1 ILE 103 15.214 2.892 17.298 823 2HD1 ILE 103 1HD1 ILE 103 15.572 1.855 18.641 824 3HD1 ILE 103 3HD1 ILE 103 13.932 2.412 18.475 825 H ALA 104 H ALA 104 18.010 5.888 15.404 826 HA ALA 104 HA ALA 104 16.963 8.471 14.649 827 1HB ALA 104 2HB ALA 104 19.129 7.348 13.671 828 2HB ALA 104 1HB ALA 104 18.031 6.381 12.630 829 3HB ALA 104 3HB ALA 104 18.092 8.139 12.483 830 H VAL 105 H VAL 105 14.695 8.108 14.897 831 HA VAL 105 HA VAL 105 13.254 6.461 12.919 832 HB VAL 105 HB VAL 105 12.128 8.591 14.723 833 1HG1 VAL 105 2HG1 VAL 105 10.863 6.668 12.925 834 2HG1 VAL 105 1HG1 VAL 105 10.281 6.451 14.617 835 3HG1 VAL 105 3HG1 VAL 105 10.107 7.973 13.795 836 1HG2 VAL 105 3HG2 VAL 105 13.187 5.922 15.434 837 2HG2 VAL 105 2HG2 VAL 105 12.756 7.277 16.543 838 3HG2 VAL 105 1HG2 VAL 105 11.551 6.129 16.010 839 H ARG 106 H ARG 106 11.403 9.121 13.075 840 HA ARG 106 HA ARG 106 11.998 11.263 11.602 841 1HB ARG 106 2HB ARG 106 12.525 8.984 9.948 842 2HB ARG 106 1HB ARG 106 11.032 9.753 9.327 843 1HG ARG 106 2HG ARG 106 11.801 11.490 8.628 844 2HG ARG 106 1HG ARG 106 12.774 11.854 9.968 845 1HD ARG 106 2HD ARG 106 13.659 9.820 7.814 846 2HD ARG 106 1HD ARG 106 14.079 11.556 7.712 847 HE ARG 106 HE ARG 106 14.978 9.522 9.707 848 1HH1 ARG 106 1HH1 ARG 106 15.226 12.908 8.415 849 2HH1 ARG 106 2HH1 ARG 106 16.675 13.175 9.291 850 1HH2 ARG 106 2HH2 ARG 106 16.912 10.101 10.790 851 2HH2 ARG 106 1HH2 ARG 106 17.660 11.653 10.617 852 H GLU 107 H GLU 107 10.390 8.232 11.893 853 HA GLU 107 HA GLU 107 8.306 7.601 12.320 854 1HB GLU 107 2HB GLU 107 8.728 10.437 13.116 855 2HB GLU 107 1HB GLU 107 6.941 10.045 12.963 856 1HG GLU 107 2HG GLU 107 8.242 7.971 14.626 857 2HG GLU 107 1HG GLU 107 8.830 9.415 15.135 858 H ILE 108 H ILE 108 7.979 10.959 11.409 859 HA ILE 108 HA ILE 108 7.167 12.217 9.854 860 HB ILE 108 HB ILE 108 8.306 10.332 8.340 861 1HG1 ILE 108 2HG1 ILE 108 6.185 12.216 7.326 862 2HG1 ILE 108 1HG1 ILE 108 7.635 12.819 8.109 863 1HG2 ILE 108 3HG2 ILE 108 5.291 10.442 7.608 864 2HG2 ILE 108 2HG2 ILE 108 6.519 9.760 6.603 865 3HG2 ILE 108 1HG2 ILE 108 6.052 8.910 8.126 866 1HD1 ILE 108 2HD1 ILE 108 8.662 10.986 6.156 867 2HD1 ILE 108 1HD1 ILE 108 7.315 11.825 5.343 868 3HD1 ILE 108 3HD1 ILE 108 8.637 12.784 6.056 869 H SER 109 H SER 109 5.408 12.948 10.575 870 HA SER 109 HA SER 109 2.967 11.783 9.541 871 1HB SER 109 2HB SER 109 3.185 10.397 11.559 872 2HB SER 109 1HB SER 109 3.709 11.799 12.482 873 HG SER 109 HG SER 109 1.333 10.974 12.628 874 H GLY 110 H GLY 110 2.214 13.359 8.637 875 1HA GLY 110 1HA GLY 110 1.379 15.368 8.090 876 2HA GLY 110 2HA GLY 110 0.805 15.406 9.834 877 H ASN 111 H ASN 111 3.004 16.871 7.476 878 HA ASN 111 HA ASN 111 4.521 18.610 7.783 879 1HB ASN 111 2HB ASN 111 2.883 19.118 10.156 880 2HB ASN 111 1HB ASN 111 4.370 20.012 9.865 881 1HD2 ASN 111 1HD2 ASN 111 3.172 21.906 7.092 882 2HD2 ASN 111 2HD2 ASN 111 4.537 21.305 7.931 883 H GLU 112 H GLU 112 6.368 17.014 7.909 884 HA GLU 112 HA GLU 112 7.487 16.766 10.653 885 1HB GLU 112 2HB GLU 112 7.038 14.164 10.479 886 2HB GLU 112 1HB GLU 112 5.668 15.145 10.910 887 1HG GLU 112 2HG GLU 112 5.958 13.262 8.865 888 2HG GLU 112 1HG GLU 112 4.576 14.163 9.222 889 H LEU 113 H LEU 113 8.817 14.945 10.890 890 HA LEU 113 HA LEU 113 9.798 12.957 9.376 891 1HB LEU 113 2HB LEU 113 11.484 15.448 8.962 892 2HB LEU 113 1HB LEU 113 12.101 13.739 9.015 893 HG LEU 113 HG LEU 113 10.340 14.865 6.806 894 1HD1 LEU 113 3HD1 LEU 113 13.011 15.162 7.253 895 2HD1 LEU 113 2HD1 LEU 113 13.028 13.542 6.623 896 3HD1 LEU 113 1HD1 LEU 113 12.394 14.918 5.645 897 1HD2 LEU 113 3HD2 LEU 113 10.215 12.185 7.643 898 2HD2 LEU 113 2HD2 LEU 113 10.446 12.485 5.916 899 3HD2 LEU 113 1HD2 LEU 113 11.834 12.152 6.902 900 H ILE 114 H ILE 114 9.056 13.577 11.801 901 HA ILE 114 HA ILE 114 10.868 14.485 13.686 902 HB ILE 114 HB ILE 114 9.593 12.108 14.829 903 1HG1 ILE 114 2HG1 ILE 114 8.328 12.367 12.550 904 2HG1 ILE 114 1HG1 ILE 114 7.591 11.700 13.911 905 1HG2 ILE 114 1HG2 ILE 114 10.098 14.303 15.870 906 2HG2 ILE 114 3HG2 ILE 114 8.438 14.726 15.395 907 3HG2 ILE 114 2HG2 ILE 114 8.724 13.337 16.431 908 1HD1 ILE 114 1HD1 ILE 114 7.332 14.780 13.477 909 2HD1 ILE 114 3HD1 ILE 114 6.601 13.713 12.316 910 3HD1 ILE 114 2HD1 ILE 114 6.025 13.633 13.954 911 H GLN 115 H GLN 115 12.713 13.896 12.957 912 HA GLN 115 HA GLN 115 13.967 11.456 12.374 913 1HB GLN 115 2HB GLN 115 14.789 13.939 13.925 914 2HB GLN 115 1HB GLN 115 15.975 12.871 13.117 915 1HG GLN 115 2HG GLN 115 14.492 13.448 10.926 916 2HG GLN 115 1HG GLN 115 14.061 14.886 11.874 917 1HE2 GLN 115 2HE2 GLN 115 17.063 16.497 11.870 918 2HE2 GLN 115 1HE2 GLN 115 15.399 16.453 12.255 919 H THR 116 H THR 116 12.825 12.660 15.342 920 HA THR 116 HA THR 116 13.280 12.009 17.585 921 HB THR 116 HB THR 116 11.809 9.795 16.167 922 HG1 THR 116 1HG THR 116 10.099 11.360 17.147 923 1HG2 THR 116 2HG2 THR 116 12.567 10.118 18.957 924 2HG2 THR 116 1HG2 THR 116 10.873 10.720 18.894 925 3HG2 THR 116 3HG2 THR 116 11.294 9.060 18.394 926 H TYR 117 H TYR 117 15.771 11.579 17.008 927 HA TYR 117 HA TYR 117 16.031 8.654 17.476 928 1HB TYR 117 2HB TYR 117 18.616 9.993 17.909 929 2HB TYR 117 1HB TYR 117 18.281 8.810 16.853 930 HD1 TYR 117 HD1 TYR 117 18.001 12.579 16.760 931 HD2 TYR 117 HD2 TYR 117 18.782 9.012 14.662 932 HE1 TYR 117 HE1 TYR 117 18.729 13.903 14.713 933 HE2 TYR 117 HE2 TYR 117 19.478 10.222 12.665 934 HH TYR 117 HH TYR 117 20.124 13.540 12.746 935 H THR 118 H THR 118 15.735 8.045 19.295 936 HA THR 118 HA THR 118 16.538 9.812 21.583 937 HB THR 118 HB THR 118 14.686 7.554 22.073 938 HG1 THR 118 1HG THR 118 13.517 8.560 20.737 939 1HG2 THR 118 2HG2 THR 118 16.165 9.611 23.482 940 2HG2 THR 118 1HG2 THR 118 14.595 10.366 23.248 941 3HG2 THR 118 3HG2 THR 118 14.694 8.800 24.133 942 H TYR 119 H TYR 119 18.799 8.620 20.997 943 HA TYR 119 HA TYR 119 19.453 5.943 21.826 944 1HB TYR 119 2HB TYR 119 21.617 6.670 22.272 945 2HB TYR 119 1HB TYR 119 21.145 7.351 20.736 946 HD1 TYR 119 HD2 TYR 119 19.892 10.052 21.295 947 HD2 TYR 119 HD1 TYR 119 22.868 7.973 23.645 948 HE1 TYR 119 HE2 TYR 119 20.496 12.113 22.305 949 HE2 TYR 119 HE1 TYR 119 23.486 10.135 24.680 950 HH TYR 119 HH TYR 119 22.999 12.847 23.526 951 H GLU 120 H GLU 120 18.296 8.550 23.901 952 HA GLU 120 HA GLU 120 18.767 6.673 26.084 953 1HB GLU 120 2HB GLU 120 20.848 6.967 26.460 954 2HB GLU 120 1HB GLU 120 20.957 8.188 25.192 955 1HG GLU 120 2HG GLU 120 21.665 9.540 26.812 956 2HG GLU 120 1HG GLU 120 19.962 9.879 26.885 957 H GLY 121 H GLY 121 16.747 8.685 25.004 958 1HA GLY 121 1HA GLY 121 14.934 9.330 26.412 959 2HA GLY 121 2HA GLY 121 15.910 9.632 27.697 960 H VAL 122 H VAL 122 17.044 10.801 24.613 961 HA VAL 122 HA VAL 122 16.437 13.612 25.366 962 HB VAL 122 HB VAL 122 18.606 12.328 23.665 963 1HG1 VAL 122 3HG1 VAL 122 18.156 15.312 24.282 964 2HG1 VAL 122 2HG1 VAL 122 19.582 14.612 23.486 965 3HG1 VAL 122 1HG1 VAL 122 18.003 14.473 22.703 966 1HG2 VAL 122 1HG2 VAL 122 18.428 12.838 26.519 967 2HG2 VAL 122 3HG2 VAL 122 19.912 12.459 25.650 968 3HG2 VAL 122 2HG2 VAL 122 19.443 14.162 25.845 969 H GLU 123 H GLU 123 16.998 11.595 22.444 970 HA GLU 123 HA GLU 123 15.919 11.523 20.318 971 1HB GLU 123 2HB GLU 123 13.707 12.200 21.881 972 2HB GLU 123 1HB GLU 123 14.048 13.785 21.314 973 1HG GLU 123 2HG GLU 123 14.084 13.054 18.946 974 2HG GLU 123 1HG GLU 123 13.824 11.493 19.376 975 H ALA 124 H ALA 124 16.669 12.426 18.647 976 HA ALA 124 HA ALA 124 16.919 15.385 18.794 977 1HB ALA 124 1HB ALA 124 19.095 13.564 18.417 978 2HB ALA 124 3HB ALA 124 18.798 14.339 16.823 979 3HB ALA 124 2HB ALA 124 19.182 15.364 18.216 980 H LYS 125 H LYS 125 15.812 16.489 17.501 981 HA LYS 125 HA LYS 125 15.362 15.425 14.815 982 1HB LYS 125 2HB LYS 125 12.797 16.186 15.983 983 2HB LYS 125 1HB LYS 125 13.181 14.768 15.004 984 1HG LYS 125 2HG LYS 125 12.688 13.776 17.224 985 2HG LYS 125 1HG LYS 125 14.360 13.889 17.255 986 1HD LYS 125 2HD LYS 125 13.211 14.796 19.261 987 2HD LYS 125 1HD LYS 125 14.326 15.889 18.577 988 1HE LYS 125 2HE LYS 125 12.480 17.280 17.597 989 2HE LYS 125 1HE LYS 125 11.290 16.027 18.182 990 1HZ LYS 125 1HZ LYS 125 12.187 16.496 20.435 991 2HZ LYS 125 3HZ LYS 125 12.885 17.883 19.833 992 3HZ LYS 125 2HZ LYS 125 11.213 17.686 19.701 993 H ARG 126 H ARG 126 13.001 17.271 14.420 994 HA ARG 126 HA ARG 126 12.915 19.796 15.189 995 1HB ARG 126 2HB ARG 126 15.454 19.596 13.713 996 2HB ARG 126 1HB ARG 126 14.308 20.945 13.430 997 1HG ARG 126 2HG ARG 126 14.883 20.194 16.337 998 2HG ARG 126 1HG ARG 126 16.045 21.299 15.462 999 1HD ARG 126 2HD ARG 126 13.578 22.222 14.637 1000 2HD ARG 126 1HD ARG 126 13.298 21.629 16.332 1001 HE ARG 126 HE ARG 126 15.724 23.037 16.222 1002 1HH1 ARG 126 2HH2 ARG 126 12.314 23.719 15.782 1003 2HH1 ARG 126 1HH2 ARG 126 12.417 25.405 16.279 1004 1HH2 ARG 126 2HH1 ARG 126 15.869 25.192 16.876 1005 2HH2 ARG 126 1HH1 ARG 126 14.475 26.200 16.901 1006 H ILE 127 H ILE 127 14.141 18.084 12.396 1007 HA ILE 127 HA ILE 127 12.663 17.026 10.829 1008 HB ILE 127 HB ILE 127 10.942 19.483 11.103 1009 1HG1 ILE 127 2HG1 ILE 127 9.330 17.794 11.601 1010 2HG1 ILE 127 1HG1 ILE 127 10.383 16.511 10.989 1011 1HG2 ILE 127 1HG2 ILE 127 11.156 19.129 8.723 1012 2HG2 ILE 127 3HG2 ILE 127 10.513 17.464 8.972 1013 3HG2 ILE 127 2HG2 ILE 127 9.528 18.863 9.277 1014 1HD1 ILE 127 1HD1 ILE 127 11.905 16.657 12.933 1015 2HD1 ILE 127 3HD1 ILE 127 10.838 17.869 13.734 1016 3HD1 ILE 127 2HD1 ILE 127 10.272 16.265 13.397 1017 H PHE 128 H PHE 128 12.316 17.174 8.806 1018 HA PHE 128 HA PHE 128 14.270 17.494 7.140 1019 1HB PHE 128 2HB PHE 128 12.501 16.942 5.576 1020 2HB PHE 128 1HB PHE 128 11.733 16.528 7.057 1021 HD1 PHE 128 HD2 PHE 128 11.949 19.678 4.973 1022 HD2 PHE 128 HD1 PHE 128 9.599 17.186 7.368 1023 HE1 PHE 128 HE2 PHE 128 10.098 21.088 4.474 1024 HE2 PHE 128 HE1 PHE 128 7.622 18.542 6.957 1025 HZ PHE 128 HZ PHE 128 7.805 20.563 5.478 1026 H LYS 129 H LYS 129 14.427 18.279 5.282 1027 HA LYS 129 HA LYS 129 13.745 21.059 4.762 1028 1HB LYS 129 2HB LYS 129 16.494 20.085 4.041 1029 2HB LYS 129 1HB LYS 129 15.595 21.507 3.433 1030 1HG LYS 129 2HG LYS 129 15.271 21.959 5.997 1031 2HG LYS 129 1HG LYS 129 16.689 20.935 6.155 1032 1HD LYS 129 2HD LYS 129 17.954 22.695 5.699 1033 2HD LYS 129 1HD LYS 129 17.475 22.550 4.045 1034 1HE LYS 129 2HE LYS 129 15.912 24.289 4.134 1035 2HE LYS 129 1HE LYS 129 15.420 23.967 5.753 1036 1HZ LYS 129 1HZ LYS 129 18.116 25.034 5.567 1037 2HZ LYS 129 3HZ LYS 129 16.871 26.112 5.117 1038 3HZ LYS 129 2HZ LYS 129 16.859 25.374 6.638 1039 H LYS 130 H LYS 130 12.936 18.235 4.206 1040 HA LYS 130 HA LYS 130 12.595 16.943 2.256 1041 1HB LYS 130 2HB LYS 130 10.662 16.967 2.741 1042 2HB LYS 130 1HB LYS 130 10.471 18.771 2.885 1043 1HG LYS 130 2HG LYS 130 10.762 17.269 0.293 1044 2HG LYS 130 1HG LYS 130 9.271 17.035 1.078 1045 1HD LYS 130 2HD LYS 130 9.514 19.866 1.135 1046 2HD LYS 130 1HD LYS 130 10.170 19.483 -0.454 1047 1HE LYS 130 2HE LYS 130 7.650 19.951 -0.430 1048 2HE LYS 130 1HE LYS 130 8.042 18.310 -1.019 1049 1HZ LYS 130 3HZ LYS 130 7.400 18.728 1.811 1050 2HZ LYS 130 2HZ LYS 130 6.202 18.514 0.605 1051 3HZ LYS 130 1HZ LYS 130 7.376 17.330 0.869 1052 H GLU 131 H GLU 131 12.538 16.624 0.321 1053 HA GLU 131 HA GLU 131 12.966 18.877 -1.480 1054 1HB GLU 131 2HB GLU 131 15.003 18.042 -0.216 1055 2HB GLU 131 1HB GLU 131 15.064 16.840 -1.013 1056 1HG GLU 131 2HG GLU 131 16.485 19.076 -1.765 1057 2HG GLU 131 1HG GLU 131 16.159 17.814 -2.915 No H/Q in entry = 1057 Start of MODEL 2 1 1H ALA 1 1H ALA 1 3.117 10.875 1.654 2 2H ALA 1 3H ALA 1 2.472 9.656 2.553 3 3H ALA 1 2H ALA 1 1.775 11.148 2.552 4 HA ALA 1 HA ALA 1 3.376 12.150 3.789 5 1HB ALA 1 3HB ALA 1 1.951 9.896 4.585 6 2HB ALA 1 2HB ALA 1 3.562 9.268 4.880 7 3HB ALA 1 1HB ALA 1 3.027 10.766 5.750 8 H PHE 2 H PHE 2 5.368 9.757 4.916 9 HA PHE 2 HA PHE 2 7.850 10.199 4.241 10 1HB PHE 2 2HB PHE 2 6.551 7.575 3.660 11 2HB PHE 2 1HB PHE 2 8.310 7.953 3.371 12 HD1 PHE 2 HD1 PHE 2 8.673 9.681 5.911 13 HD2 PHE 2 HD2 PHE 2 6.730 5.924 5.285 14 HE1 PHE 2 HE1 PHE 2 9.034 9.082 8.261 15 HE2 PHE 2 HE2 PHE 2 7.105 5.315 7.630 16 HZ PHE 2 HZ PHE 2 8.240 6.842 9.145 17 H ASP 3 H ASP 3 6.689 8.003 1.705 18 HA ASP 3 HA ASP 3 8.379 8.053 -0.192 19 1HB ASP 3 2HB ASP 3 5.656 8.914 -1.149 20 2HB ASP 3 1HB ASP 3 6.902 7.829 -1.952 21 H GLY 4 H GLY 4 9.821 9.272 -1.060 22 1HA GLY 4 1HA GLY 4 9.795 11.424 -2.697 23 2HA GLY 4 2HA GLY 4 9.123 12.130 -1.325 24 H THR 5 H THR 5 10.476 13.552 -1.166 25 HA THR 5 HA THR 5 13.317 13.360 -0.177 26 HB THR 5 HB THR 5 13.427 15.507 -0.521 27 HG1 THR 5 1HG THR 5 10.772 15.332 -1.598 28 1HG2 THR 5 2HG2 THR 5 13.238 13.571 -2.581 29 2HG2 THR 5 1HG2 THR 5 12.040 14.698 -3.177 30 3HG2 THR 5 3HG2 THR 5 13.749 15.244 -3.010 31 H TRP 6 H TRP 6 13.841 14.589 1.298 32 HA TRP 6 HA TRP 6 12.136 15.557 3.490 33 1HB TRP 6 2HB TRP 6 13.682 12.881 3.167 34 2HB TRP 6 1HB TRP 6 13.457 13.691 4.694 35 HD1 TRP 6 HD1 TRP 6 11.943 10.942 3.123 36 HE1 TRP 6 HE1 TRP 6 9.454 10.614 3.186 37 HE3 TRP 6 HE3 TRP 6 10.595 15.661 4.612 38 HZ2 TRP 6 HZ2 TRP 6 7.211 12.176 3.733 39 HZ3 TRP 6 HZ3 TRP 6 8.277 16.142 4.858 40 HH2 TRP 6 HH2 TRP 6 6.530 14.391 4.417 41 H LYS 7 H LYS 7 13.836 16.077 5.282 42 HA LYS 7 HA LYS 7 16.679 16.018 4.327 43 1HB LYS 7 2HB LYS 7 15.571 18.685 4.810 44 2HB LYS 7 1HB LYS 7 16.959 18.215 3.940 45 1HG LYS 7 2HG LYS 7 15.622 17.103 2.230 46 2HG LYS 7 1HG LYS 7 14.140 17.392 2.811 47 1HD LYS 7 2HD LYS 7 14.198 19.000 1.213 48 2HD LYS 7 1HD LYS 7 15.223 20.054 2.183 49 1HE LYS 7 2HE LYS 7 16.593 17.993 0.446 50 2HE LYS 7 1HE LYS 7 15.751 19.327 -0.278 51 1HZ LYS 7 3HZ LYS 7 17.387 20.313 1.760 52 2HZ LYS 7 2HZ LYS 7 18.282 19.463 0.571 53 3HZ LYS 7 1HZ LYS 7 17.297 20.735 0.141 54 H VAL 8 H VAL 8 17.032 18.382 6.045 55 HA VAL 8 HA VAL 8 15.817 17.640 8.561 56 HB VAL 8 HB VAL 8 18.704 17.083 8.351 57 1HG1 VAL 8 2HG1 VAL 8 17.054 18.269 10.523 58 2HG1 VAL 8 1HG1 VAL 8 17.774 16.790 11.065 59 3HG1 VAL 8 3HG1 VAL 8 18.801 18.164 10.510 60 1HG2 VAL 8 3HG2 VAL 8 16.285 15.452 9.189 61 2HG2 VAL 8 2HG2 VAL 8 17.500 15.061 7.995 62 3HG2 VAL 8 1HG2 VAL 8 17.908 15.037 9.751 63 H ASP 9 H ASP 9 15.035 19.547 7.638 64 HA ASP 9 HA ASP 9 16.120 21.994 7.022 65 1HB ASP 9 2HB ASP 9 13.766 20.948 7.468 66 2HB ASP 9 1HB ASP 9 13.958 21.587 9.036 67 H ARG 10 H ARG 10 15.553 20.485 10.182 68 HA ARG 10 HA ARG 10 17.310 22.651 11.357 69 1HB ARG 10 2HB ARG 10 15.373 22.391 13.208 70 2HB ARG 10 1HB ARG 10 15.624 23.682 12.062 71 1HG ARG 10 2HG ARG 10 13.930 21.410 11.016 72 2HG ARG 10 1HG ARG 10 13.226 22.350 12.279 73 1HD ARG 10 2HD ARG 10 14.419 23.809 9.863 74 2HD ARG 10 1HD ARG 10 12.695 23.261 10.005 75 HE ARG 10 HE ARG 10 13.335 24.619 12.358 76 1HH1 ARG 10 2HH1 ARG 10 13.003 25.430 8.950 77 2HH1 ARG 10 1HH1 ARG 10 12.513 27.080 9.259 78 1HH2 ARG 10 2HH2 ARG 10 12.698 26.777 12.738 79 2HH2 ARG 10 1HH2 ARG 10 12.344 27.856 11.443 80 H ASN 11 H ASN 11 17.773 22.206 13.724 81 HA ASN 11 HA ASN 11 17.753 19.302 14.266 82 1HB ASN 11 2HB ASN 11 20.333 19.757 14.966 83 2HB ASN 11 1HB ASN 11 19.815 18.908 13.546 84 1HD2 ASN 11 1HD2 ASN 11 21.105 21.229 11.251 85 2HD2 ASN 11 2HD2 ASN 11 20.434 19.651 11.520 86 H GLU 12 H GLU 12 16.688 19.405 15.965 87 HA GLU 12 HA GLU 12 17.468 21.270 18.233 88 1HB GLU 12 2HB GLU 12 15.184 21.414 17.366 89 2HB GLU 12 1HB GLU 12 14.911 19.697 17.737 90 1HG GLU 12 2HG GLU 12 14.035 21.725 19.240 91 2HG GLU 12 1HG GLU 12 14.412 20.159 19.891 92 H ASN 13 H ASN 13 18.100 20.310 20.132 93 HA ASN 13 HA ASN 13 18.755 18.748 21.660 94 1HB ASN 13 2HB ASN 13 16.597 17.393 20.198 95 2HB ASN 13 1HB ASN 13 17.699 16.367 21.069 96 1HD2 ASN 13 1HD2 ASN 13 16.829 18.147 24.283 97 2HD2 ASN 13 2HD2 ASN 13 18.232 17.699 23.369 98 H TYR 14 H TYR 14 19.651 18.863 18.509 99 HA TYR 14 HA TYR 14 20.942 16.427 17.925 100 1HB TYR 14 2HB TYR 14 19.876 18.048 16.508 101 2HB TYR 14 1HB TYR 14 21.335 19.027 16.602 102 HD1 TYR 14 HD1 TYR 14 23.503 17.239 16.484 103 HD2 TYR 14 HD2 TYR 14 19.787 16.973 14.354 104 HE1 TYR 14 HE1 TYR 14 24.629 15.902 14.679 105 HE2 TYR 14 HE2 TYR 14 20.896 15.676 12.611 106 HH TYR 14 HH TYR 14 23.046 14.102 12.501 107 H GLU 15 H GLU 15 22.331 19.590 19.145 108 HA GLU 15 HA GLU 15 25.057 18.891 18.940 109 1HB GLU 15 2HB GLU 15 24.410 20.518 21.302 110 2HB GLU 15 1HB GLU 15 25.694 20.589 20.047 111 1HG GLU 15 2HG GLU 15 22.824 21.551 19.861 112 2HG GLU 15 1HG GLU 15 24.347 22.460 19.598 113 H LYS 16 H LYS 16 22.910 18.444 21.881 114 HA LYS 16 HA LYS 16 25.105 17.088 23.285 115 1HB LYS 16 2HB LYS 16 23.109 18.426 24.230 116 2HB LYS 16 1HB LYS 16 22.324 16.835 24.189 117 1HG LYS 16 2HG LYS 16 24.336 15.866 25.412 118 2HG LYS 16 1HG LYS 16 24.963 17.544 25.593 119 1HD LYS 16 2HD LYS 16 22.807 18.145 26.726 120 2HD LYS 16 1HD LYS 16 22.298 16.562 26.604 121 1HE LYS 16 2HE LYS 16 23.464 17.499 28.838 122 2HE LYS 16 1HE LYS 16 23.623 15.782 28.428 123 1HZ LYS 16 2HZ LYS 16 25.763 16.655 27.234 124 2HZ LYS 16 1HZ LYS 16 25.549 17.979 28.261 125 3HZ LYS 16 3HZ LYS 16 25.759 16.391 28.874 126 H PHE 17 H PHE 17 22.326 16.091 21.264 127 HA PHE 17 HA PHE 17 21.801 13.475 21.852 128 1HB PHE 17 2HB PHE 17 20.370 14.273 20.374 129 2HB PHE 17 1HB PHE 17 21.567 15.206 19.505 130 HD1 PHE 17 HD2 PHE 17 20.405 11.738 20.037 131 HD2 PHE 17 HD1 PHE 17 22.580 14.416 17.577 132 HE1 PHE 17 HE2 PHE 17 20.556 9.923 18.289 133 HE2 PHE 17 HE1 PHE 17 22.765 12.647 15.804 134 HZ PHE 17 HZ PHE 17 21.778 10.450 16.140 135 H MET 18 H MET 18 24.389 14.821 19.881 136 HA MET 18 HA MET 18 25.510 12.345 18.792 137 1HB MET 18 2HB MET 18 25.890 15.307 18.716 138 2HB MET 18 1HB MET 18 27.385 14.285 18.562 139 1HG MET 18 2HG MET 18 26.010 12.910 16.848 140 2HG MET 18 1HG MET 18 24.906 14.276 16.798 141 1HE MET 18 2HE MET 18 27.811 12.605 15.810 142 2HE MET 18 1HE MET 18 27.563 13.273 14.172 143 3HE MET 18 3HE MET 18 29.003 13.769 15.152 144 H GLU 19 H GLU 19 26.451 14.947 20.955 145 HA GLU 19 HA GLU 19 28.891 14.251 21.864 146 1HB GLU 19 2HB GLU 19 26.896 16.047 22.599 147 2HB GLU 19 1HB GLU 19 26.916 15.017 23.993 148 1HG GLU 19 2HG GLU 19 28.495 16.371 24.781 149 2HG GLU 19 1HG GLU 19 29.525 15.230 23.968 150 H LYS 20 H LYS 20 25.765 13.241 23.253 151 HA LYS 20 HA LYS 20 26.849 12.033 25.539 152 1HB LYS 20 2HB LYS 20 24.229 11.559 24.250 153 2HB LYS 20 1HB LYS 20 24.743 10.895 25.837 154 1HG LYS 20 2HG LYS 20 24.508 13.894 25.173 155 2HG LYS 20 1HG LYS 20 23.384 12.890 26.179 156 1HD LYS 20 2HD LYS 20 26.338 13.538 26.608 157 2HD LYS 20 1HD LYS 20 25.013 14.230 27.485 158 1HE LYS 20 2HE LYS 20 25.209 11.204 27.662 159 2HE LYS 20 1HE LYS 20 26.409 12.228 28.567 160 1HZ LYS 20 1HZ LYS 20 23.474 12.547 28.711 161 2HZ LYS 20 3HZ LYS 20 24.419 11.623 29.750 162 3HZ LYS 20 2HZ LYS 20 24.634 13.306 29.637 163 H MET 21 H MET 21 26.422 10.758 22.305 164 HA MET 21 HA MET 21 26.651 7.952 23.202 165 1HB MET 21 2HB MET 21 27.183 7.773 20.558 166 2HB MET 21 1HB MET 21 25.604 7.439 21.407 167 1HG MET 21 2HG MET 21 25.037 9.880 20.990 168 2HG MET 21 1HG MET 21 26.384 9.884 19.801 169 1HE MET 21 2HE MET 21 23.272 8.937 21.087 170 2HE MET 21 1HE MET 21 22.218 8.555 19.667 171 3HE MET 21 3HE MET 21 23.141 7.261 20.539 172 H GLY 22 H GLY 22 28.849 10.441 23.022 173 1HA GLY 22 1HA GLY 22 31.142 9.801 23.672 174 2HA GLY 22 2HA GLY 22 31.132 8.516 22.505 175 H ILE 23 H ILE 23 29.531 11.334 21.325 176 HA ILE 23 HA ILE 23 31.484 11.769 19.247 177 HB ILE 23 HB ILE 23 29.027 13.122 20.237 178 1HG1 ILE 23 2HG1 ILE 23 28.027 12.326 18.381 179 2HG1 ILE 23 1HG1 ILE 23 29.505 12.227 17.392 180 1HG2 ILE 23 2HG2 ILE 23 31.242 14.423 18.764 181 2HG2 ILE 23 1HG2 ILE 23 29.847 14.350 17.724 182 3HG2 ILE 23 3HG2 ILE 23 29.716 15.128 19.303 183 1HD1 ILE 23 3HD1 ILE 23 30.236 10.267 18.923 184 2HD1 ILE 23 2HD1 ILE 23 28.645 10.363 19.667 185 3HD1 ILE 23 1HD1 ILE 23 28.757 9.935 17.960 186 H ASN 24 H ASN 24 33.579 12.309 20.054 187 HA ASN 24 HA ASN 24 33.845 14.190 22.288 188 1HB ASN 24 2HB ASN 24 36.268 14.061 21.149 189 2HB ASN 24 1HB ASN 24 35.582 13.413 22.675 190 1HD2 ASN 24 1HD2 ASN 24 36.155 10.920 19.407 191 2HD2 ASN 24 2HD2 ASN 24 36.052 12.663 19.235 192 H VAL 25 H VAL 25 35.697 15.765 21.850 193 HA VAL 25 HA VAL 25 34.602 18.049 20.701 194 HB VAL 25 HB VAL 25 36.162 19.361 21.120 195 1HG1 VAL 25 3HG1 VAL 25 35.053 17.448 23.148 196 2HG1 VAL 25 2HG1 VAL 25 36.172 18.676 23.702 197 3HG1 VAL 25 1HG1 VAL 25 34.662 19.145 22.854 198 1HG2 VAL 25 2HG2 VAL 25 38.232 17.701 20.905 199 2HG2 VAL 25 1HG2 VAL 25 38.205 18.606 22.456 200 3HG2 VAL 25 3HG2 VAL 25 37.642 16.924 22.397 201 H VAL 26 H VAL 26 36.378 15.710 18.835 202 HA VAL 26 HA VAL 26 37.646 17.241 16.907 203 HB VAL 26 HB VAL 26 37.869 15.502 15.634 204 1HG1 VAL 26 3HG1 VAL 26 38.288 14.890 18.227 205 2HG1 VAL 26 2HG1 VAL 26 36.960 13.785 17.996 206 3HG1 VAL 26 1HG1 VAL 26 38.428 13.599 17.006 207 1HG2 VAL 26 3HG2 VAL 26 34.998 14.848 16.511 208 2HG2 VAL 26 2HG2 VAL 26 35.631 15.042 14.881 209 3HG2 VAL 26 1HG2 VAL 26 35.950 13.553 15.800 210 H LYS 27 H LYS 27 34.323 16.864 17.541 211 HA LYS 27 HA LYS 27 33.351 17.620 14.892 212 1HB LYS 27 2HB LYS 27 31.452 16.964 15.550 213 2HB LYS 27 1HB LYS 27 32.406 16.094 16.778 214 1HG LYS 27 2HG LYS 27 31.851 17.639 18.543 215 2HG LYS 27 1HG LYS 27 31.376 18.886 17.523 216 1HD LYS 27 2HD LYS 27 29.611 16.586 17.060 217 2HD LYS 27 1HD LYS 27 29.665 17.003 18.740 218 1HE LYS 27 2HE LYS 27 29.263 19.339 16.797 219 2HE LYS 27 1HE LYS 27 27.962 18.218 17.000 220 1HZ LYS 27 1HZ LYS 27 28.406 18.747 19.558 221 2HZ LYS 27 3HZ LYS 27 29.121 20.117 18.864 222 3HZ LYS 27 2HZ LYS 27 27.500 19.770 18.579 223 H ARG 28 H ARG 28 34.529 19.157 17.752 224 HA ARG 28 HA ARG 28 33.238 21.615 17.819 225 1HB ARG 28 2HB ARG 28 34.888 22.529 19.060 226 2HB ARG 28 1HB ARG 28 34.997 20.794 19.411 227 1HG ARG 28 2HG ARG 28 36.742 20.714 17.469 228 2HG ARG 28 1HG ARG 28 36.751 22.454 17.466 229 1HD ARG 28 2HD ARG 28 37.267 22.337 20.036 230 2HD ARG 28 1HD ARG 28 37.557 20.714 19.836 231 HE ARG 28 HE ARG 28 39.280 22.850 18.903 232 1HH1 ARG 28 1HH1 ARG 28 38.697 19.244 18.712 233 2HH1 ARG 28 2HH1 ARG 28 40.337 19.039 18.240 234 1HH2 ARG 28 1HH2 ARG 28 41.418 22.271 18.249 235 2HH2 ARG 28 2HH2 ARG 28 41.793 20.617 17.983 236 H LYS 29 H LYS 29 35.445 20.237 15.578 237 HA LYS 29 HA LYS 29 36.565 22.598 14.334 238 1HB LYS 29 2HB LYS 29 36.383 19.716 13.472 239 2HB LYS 29 1HB LYS 29 37.142 20.992 12.513 240 1HG LYS 29 2HG LYS 29 38.989 20.415 13.533 241 2HG LYS 29 1HG LYS 29 38.421 21.475 14.841 242 1HD LYS 29 2HD LYS 29 39.155 19.517 15.898 243 2HD LYS 29 1HD LYS 29 37.440 19.213 15.865 244 1HE LYS 29 2HE LYS 29 38.731 17.164 15.166 245 2HE LYS 29 1HE LYS 29 37.881 17.756 13.737 246 1HZ LYS 29 1HZ LYS 29 40.426 18.948 14.128 247 2HZ LYS 29 3HZ LYS 29 40.487 17.262 13.986 248 3HZ LYS 29 2HZ LYS 29 39.805 18.197 12.749 249 H LEU 30 H LEU 30 34.622 19.993 12.829 250 HA LEU 30 HA LEU 30 32.681 22.019 11.742 251 1HB LEU 30 2HB LEU 30 34.571 20.989 10.024 252 2HB LEU 30 1HB LEU 30 33.448 19.648 10.059 253 HG LEU 30 HG LEU 30 31.848 21.959 9.674 254 1HD1 LEU 30 2HD1 LEU 30 34.526 22.182 8.226 255 2HD1 LEU 30 1HD1 LEU 30 33.070 22.930 7.600 256 3HD1 LEU 30 3HD1 LEU 30 33.678 23.391 9.199 257 1HD2 LEU 30 1HD2 LEU 30 32.672 19.536 8.068 258 2HD2 LEU 30 3HD2 LEU 30 31.062 20.144 8.426 259 3HD2 LEU 30 2HD2 LEU 30 32.045 20.870 7.122 260 H GLY 31 H GLY 31 30.751 20.758 10.791 261 1HA GLY 31 1HA GLY 31 29.499 18.612 10.909 262 2HA GLY 31 2HA GLY 31 30.284 18.309 12.447 263 H ALA 32 H ALA 32 27.599 18.178 12.353 264 HA ALA 32 HA ALA 32 25.801 18.887 13.664 265 1HB ALA 32 1HB ALA 32 27.787 19.976 15.128 266 2HB ALA 32 3HB ALA 32 26.870 21.429 14.573 267 3HB ALA 32 2HB ALA 32 26.002 20.127 15.406 268 H HIS 33 H HIS 33 26.714 20.040 10.843 269 HA HIS 33 HA HIS 33 24.544 22.162 10.876 270 1HB HIS 33 2HB HIS 33 25.562 22.985 8.700 271 2HB HIS 33 1HB HIS 33 26.629 23.208 10.107 272 HD1 HIS 33 HD1 HIS 33 26.468 19.674 8.588 273 HD2 HIS 33 HD2 HIS 33 28.760 23.223 8.379 274 HE1 HIS 33 HE1 HIS 33 28.606 19.103 7.394 275 HE2 HIS 33 HE2 HIS 33 29.998 21.275 7.276 276 H ASP 34 H ASP 34 24.827 19.120 10.577 277 HA ASP 34 HA ASP 34 24.211 18.047 8.144 278 1HB ASP 34 2HB ASP 34 24.394 16.886 10.253 279 2HB ASP 34 1HB ASP 34 22.783 17.491 10.649 280 H ASN 35 H ASN 35 23.026 18.662 6.549 281 HA ASN 35 HA ASN 35 20.132 18.931 6.876 282 1HB ASN 35 2HB ASN 35 21.469 21.154 7.485 283 2HB ASN 35 1HB ASN 35 21.555 21.365 5.733 284 1HD2 ASN 35 1HD2 ASN 35 18.402 23.100 6.773 285 2HD2 ASN 35 2HD2 ASN 35 20.127 23.262 7.034 286 H LEU 36 H LEU 36 19.458 17.856 5.008 287 HA LEU 36 HA LEU 36 20.298 19.040 2.517 288 1HB LEU 36 2HB LEU 36 22.233 18.318 2.198 289 2HB LEU 36 1HB LEU 36 22.153 17.266 3.561 290 HG LEU 36 HG LEU 36 21.547 15.356 2.343 291 1HD1 LEU 36 1HD1 LEU 36 20.221 17.163 0.379 292 2HD1 LEU 36 3HD1 LEU 36 21.374 16.157 -0.467 293 3HD1 LEU 36 2HD1 LEU 36 20.172 15.366 0.515 294 1HD2 LEU 36 1HD2 LEU 36 23.821 16.632 1.965 295 2HD2 LEU 36 3HD2 LEU 36 23.515 15.432 0.665 296 3HD2 LEU 36 2HD2 LEU 36 23.118 17.104 0.373 297 H LYS 37 H LYS 37 19.880 15.446 2.952 298 HA LYS 37 HA LYS 37 17.125 15.586 2.551 299 1HB LYS 37 2HB LYS 37 18.372 15.954 0.085 300 2HB LYS 37 1HB LYS 37 18.194 14.219 0.111 301 1HG LYS 37 2HG LYS 37 15.752 14.529 0.659 302 2HG LYS 37 1HG LYS 37 15.968 16.257 0.334 303 1HD LYS 37 2HD LYS 37 16.555 13.804 -1.361 304 2HD LYS 37 1HD LYS 37 15.289 15.062 -1.661 305 1HE LYS 37 2HE LYS 37 18.365 15.276 -1.850 306 2HE LYS 37 1HE LYS 37 17.285 15.166 -3.229 307 1HZ LYS 37 3HZ LYS 37 16.796 17.348 -1.358 308 2HZ LYS 37 2HZ LYS 37 18.195 17.477 -2.332 309 3HZ LYS 37 1HZ LYS 37 16.691 17.307 -3.065 310 H LEU 38 H LEU 38 17.138 14.180 4.307 311 HA LEU 38 HA LEU 38 18.527 11.717 4.425 312 1HB LEU 38 2HB LEU 38 16.420 12.696 6.013 313 2HB LEU 38 1HB LEU 38 15.530 12.003 4.777 314 HG LEU 38 HG LEU 38 16.027 10.877 7.062 315 1HD1 LEU 38 3HD1 LEU 38 14.600 9.926 5.415 316 2HD1 LEU 38 2HD1 LEU 38 16.006 9.297 4.487 317 3HD1 LEU 38 1HD1 LEU 38 15.539 8.599 6.078 318 1HD2 LEU 38 2HD2 LEU 38 18.343 9.872 5.275 319 2HD2 LEU 38 1HD2 LEU 38 18.541 10.644 6.892 320 3HD2 LEU 38 3HD2 LEU 38 17.833 8.997 6.704 321 H THR 39 H THR 39 15.562 12.950 3.078 322 HA THR 39 HA THR 39 14.230 12.566 1.420 323 HB THR 39 HB THR 39 16.098 10.510 0.149 324 HG1 THR 39 1HG THR 39 16.658 12.965 1.052 325 1HG2 THR 39 1HG2 THR 39 14.019 11.489 -1.218 326 2HG2 THR 39 3HG2 THR 39 14.884 13.037 -1.148 327 3HG2 THR 39 2HG2 THR 39 15.631 11.704 -1.968 328 H ILE 40 H ILE 40 12.606 10.716 0.832 329 HA ILE 40 HA ILE 40 13.402 8.004 1.787 330 HB ILE 40 HB ILE 40 10.965 9.308 3.000 331 1HG1 ILE 40 2HG1 ILE 40 13.570 8.351 4.423 332 2HG1 ILE 40 1HG1 ILE 40 13.289 9.989 4.046 333 1HG2 ILE 40 1HG2 ILE 40 12.058 6.494 3.206 334 2HG2 ILE 40 3HG2 ILE 40 10.849 7.143 4.293 335 3HG2 ILE 40 2HG2 ILE 40 10.483 6.990 2.575 336 1HD1 ILE 40 3HD1 ILE 40 10.985 8.760 5.520 337 2HD1 ILE 40 2HD1 ILE 40 12.498 9.057 6.425 338 3HD1 ILE 40 1HD1 ILE 40 11.686 10.389 5.594 339 H THR 41 H THR 41 12.818 6.525 0.294 340 HA THR 41 HA THR 41 10.300 7.226 -1.236 341 HB THR 41 HB THR 41 11.895 5.001 -2.208 342 HG1 THR 41 1HG THR 41 13.505 6.188 -2.437 343 1HG2 THR 41 3HG2 THR 41 9.902 7.123 -3.135 344 2HG2 THR 41 2HG2 THR 41 11.234 6.855 -4.252 345 3HG2 THR 41 1HG2 THR 41 10.188 5.498 -3.787 346 H GLN 42 H GLN 42 10.106 4.262 -1.988 347 HA GLN 42 HA GLN 42 9.686 2.916 0.544 348 1HB GLN 42 2HB GLN 42 7.726 4.312 0.536 349 2HB GLN 42 1HB GLN 42 7.352 4.001 -1.166 350 1HG GLN 42 2HG GLN 42 7.350 1.746 0.874 351 2HG GLN 42 1HG GLN 42 5.980 2.782 0.800 352 1HE2 GLN 42 2HE2 GLN 42 5.260 1.967 -2.705 353 2HE2 GLN 42 1HE2 GLN 42 5.653 3.370 -1.765 354 H GLU 43 H GLU 43 9.884 0.759 0.070 355 HA GLU 43 HA GLU 43 9.273 -0.150 -2.702 356 1HB GLU 43 2HB GLU 43 11.879 -0.107 -1.179 357 2HB GLU 43 1HB GLU 43 11.419 -1.679 -1.777 358 1HG GLU 43 2HG GLU 43 11.436 0.751 -3.646 359 2HG GLU 43 1HG GLU 43 12.970 -0.212 -3.242 360 H GLY 44 H GLY 44 9.815 -2.811 -2.149 361 1HA GLY 44 1HA GLY 44 7.508 -3.513 -0.550 362 2HA GLY 44 2HA GLY 44 8.696 -4.649 -1.255 363 H ASN 45 H ASN 45 8.070 -2.357 1.326 364 HA ASN 45 HA ASN 45 8.430 -2.457 3.544 365 1HB ASN 45 2HB ASN 45 10.687 -4.534 3.157 366 2HB ASN 45 1HB ASN 45 9.808 -4.091 4.653 367 1HD2 ASN 45 2HD2 ASN 45 8.620 -7.327 2.968 368 2HD2 ASN 45 1HD2 ASN 45 10.241 -6.716 3.207 369 H LYS 46 H LYS 46 11.648 -3.231 2.178 370 HA LYS 46 HA LYS 46 13.260 -1.241 3.238 371 1HB LYS 46 2HB LYS 46 14.583 -2.458 1.844 372 2HB LYS 46 1HB LYS 46 13.164 -2.865 0.829 373 1HG LYS 46 2HG LYS 46 13.511 -0.516 -0.248 374 2HG LYS 46 1HG LYS 46 15.095 -0.577 0.534 375 1HD LYS 46 2HD LYS 46 13.795 -2.545 -1.398 376 2HD LYS 46 1HD LYS 46 15.106 -1.424 -1.804 377 1HE LYS 46 2HE LYS 46 16.731 -2.691 -0.543 378 2HE LYS 46 1HE LYS 46 15.486 -3.667 0.248 379 1HZ LYS 46 1HZ LYS 46 15.592 -3.714 -2.673 380 2HZ LYS 46 3HZ LYS 46 16.871 -4.422 -1.871 381 3HZ LYS 46 2HZ LYS 46 15.333 -4.996 -1.589 382 H PHE 47 H PHE 47 14.313 0.454 2.100 383 HA PHE 47 HA PHE 47 12.677 1.780 0.086 384 1HB PHE 47 2HB PHE 47 12.758 3.968 1.518 385 2HB PHE 47 1HB PHE 47 11.386 2.906 1.656 386 HD1 PHE 47 HD2 PHE 47 14.779 3.441 3.417 387 HD2 PHE 47 HD1 PHE 47 10.674 2.247 3.783 388 HE1 PHE 47 HE2 PHE 47 15.038 3.207 5.808 389 HE2 PHE 47 HE1 PHE 47 10.962 2.010 6.217 390 HZ PHE 47 HZ PHE 47 13.147 2.491 7.260 391 H THR 48 H THR 48 13.674 3.036 -1.166 392 HA THR 48 HA THR 48 16.549 3.305 -0.967 393 HB THR 48 HB THR 48 14.928 4.695 -3.168 394 HG1 THR 48 1HG THR 48 14.110 2.885 -3.741 395 1HG2 THR 48 1HG2 THR 48 17.645 4.283 -2.628 396 2HG2 THR 48 3HG2 THR 48 17.339 3.061 -3.865 397 3HG2 THR 48 2HG2 THR 48 16.981 4.785 -4.195 398 H VAL 49 H VAL 49 16.473 4.438 0.889 399 HA VAL 49 HA VAL 49 15.375 7.201 0.987 400 HB VAL 49 HB VAL 49 16.954 5.337 2.743 401 1HG1 VAL 49 2HG1 VAL 49 16.749 8.234 3.015 402 2HG1 VAL 49 1HG1 VAL 49 16.401 7.409 4.518 403 3HG1 VAL 49 3HG1 VAL 49 17.961 7.120 3.691 404 1HG2 VAL 49 1HG2 VAL 49 14.293 5.146 2.660 405 2HG2 VAL 49 3HG2 VAL 49 14.976 5.352 4.274 406 3HG2 VAL 49 2HG2 VAL 49 14.267 6.756 3.411 407 H LYS 50 H LYS 50 16.959 8.984 1.036 408 HA LYS 50 HA LYS 50 19.493 8.189 -0.261 409 1HB LYS 50 2HB LYS 50 18.167 10.752 0.560 410 2HB LYS 50 1HB LYS 50 19.862 10.774 0.062 411 1HG LYS 50 2HG LYS 50 19.126 9.646 -2.118 412 2HG LYS 50 1HG LYS 50 17.415 10.072 -1.669 413 1HD LYS 50 2HD LYS 50 17.919 11.967 -2.758 414 2HD LYS 50 1HD LYS 50 18.854 12.418 -1.253 415 1HE LYS 50 2HE LYS 50 20.499 12.582 -2.859 416 2HE LYS 50 1HE LYS 50 20.682 10.859 -2.370 417 1HZ LYS 50 1HZ LYS 50 18.746 10.910 -4.281 418 2HZ LYS 50 3HZ LYS 50 19.864 12.054 -4.838 419 3HZ LYS 50 2HZ LYS 50 20.371 10.476 -4.536 420 H GLU 51 H GLU 51 19.593 10.855 1.978 421 HA GLU 51 HA GLU 51 20.270 10.919 4.133 422 1HB GLU 51 2HB GLU 51 20.450 8.218 4.225 423 2HB GLU 51 1HB GLU 51 22.002 8.388 3.458 424 1HG GLU 51 2HG GLU 51 22.895 9.632 5.340 425 2HG GLU 51 1HG GLU 51 21.269 9.772 6.041 426 H SER 52 H SER 52 20.835 12.364 2.268 427 HA SER 52 HA SER 52 23.758 12.123 1.731 428 1HB SER 52 2HB SER 52 21.966 12.521 -0.011 429 2HB SER 52 1HB SER 52 22.046 14.236 0.501 430 HG SER 52 HG SER 52 23.693 14.160 -0.776 431 H SER 53 H SER 53 21.767 13.409 3.970 432 HA SER 53 HA SER 53 22.073 15.817 4.792 433 1HB SER 53 2HB SER 53 23.141 14.968 7.021 434 2HB SER 53 1HB SER 53 21.422 14.729 6.609 435 HG SER 53 HG SER 53 22.837 12.792 7.249 436 H ASN 54 H ASN 54 23.492 17.325 4.828 437 HA ASN 54 HA ASN 54 25.866 17.663 3.808 438 1HB ASN 54 2HB ASN 54 24.397 19.200 5.256 439 2HB ASN 54 1HB ASN 54 25.461 18.746 6.619 440 1HD2 ASN 54 2HD2 ASN 54 26.679 21.845 4.648 441 2HD2 ASN 54 1HD2 ASN 54 25.035 21.465 5.137 442 H PHE 55 H PHE 55 26.725 15.236 4.197 443 HA PHE 55 HA PHE 55 29.171 15.567 5.562 444 1HB PHE 55 2HB PHE 55 27.072 15.233 7.389 445 2HB PHE 55 1HB PHE 55 27.558 13.560 7.111 446 HD1 PHE 55 HD1 PHE 55 29.057 16.893 7.850 447 HD2 PHE 55 HD2 PHE 55 29.374 12.634 8.081 448 HE1 PHE 55 HE1 PHE 55 31.011 17.230 9.191 449 HE2 PHE 55 HE2 PHE 55 31.419 12.897 9.475 450 HZ PHE 55 HZ PHE 55 32.254 15.165 10.044 451 H ARG 56 H ARG 56 26.530 13.090 5.287 452 HA ARG 56 HA ARG 56 28.673 11.267 4.198 453 1HB ARG 56 2HB ARG 56 26.178 10.560 5.785 454 2HB ARG 56 1HB ARG 56 27.182 9.395 4.891 455 1HG ARG 56 2HG ARG 56 29.127 10.631 6.317 456 2HG ARG 56 1HG ARG 56 27.811 10.757 7.491 457 1HD ARG 56 2HD ARG 56 28.619 8.645 8.001 458 2HD ARG 56 1HD ARG 56 27.417 8.149 6.808 459 HE ARG 56 HE ARG 56 29.503 8.551 5.188 460 1HH1 ARG 56 2HH2 ARG 56 29.232 6.858 8.258 461 2HH1 ARG 56 1HH2 ARG 56 30.450 5.681 7.907 462 1HH2 ARG 56 2HH1 ARG 56 31.204 6.897 4.740 463 2HH2 ARG 56 1HH1 ARG 56 31.566 5.687 5.955 464 H ASN 57 H ASN 57 27.888 12.786 2.524 465 HA ASN 57 HA ASN 57 25.491 12.717 1.197 466 1HB ASN 57 2HB ASN 57 26.558 13.887 -0.370 467 2HB ASN 57 1HB ASN 57 27.744 13.962 0.954 468 1HD2 ASN 57 2HD2 ASN 57 30.300 12.151 -0.822 469 2HD2 ASN 57 1HD2 ASN 57 29.783 12.908 0.635 470 H ILE 58 H ILE 58 24.365 10.803 0.641 471 HA ILE 58 HA ILE 58 25.496 8.875 -1.090 472 HB ILE 58 HB ILE 58 26.455 8.565 1.461 473 1HG1 ILE 58 2HG1 ILE 58 25.915 5.906 0.572 474 2HG1 ILE 58 1HG1 ILE 58 26.091 6.915 -0.887 475 1HG2 ILE 58 2HG2 ILE 58 24.061 8.364 2.294 476 2HG2 ILE 58 1HG2 ILE 58 24.035 6.735 1.557 477 3HG2 ILE 58 3HG2 ILE 58 25.233 7.118 2.773 478 1HD1 ILE 58 3HD1 ILE 58 28.141 7.434 1.240 479 2HD1 ILE 58 2HD1 ILE 58 28.259 5.871 0.426 480 3HD1 ILE 58 1HD1 ILE 58 28.320 7.377 -0.506 481 H ASP 59 H ASP 59 24.116 6.849 -0.932 482 HA ASP 59 HA ASP 59 21.368 7.491 -0.056 483 1HB ASP 59 2HB ASP 59 20.756 5.925 -2.051 484 2HB ASP 59 1HB ASP 59 21.030 7.586 -2.417 485 H VAL 60 H VAL 60 20.509 5.879 1.155 486 HA VAL 60 HA VAL 60 21.956 3.277 1.070 487 HB VAL 60 HB VAL 60 21.051 4.984 3.416 488 1HG1 VAL 60 3HG1 VAL 60 21.325 2.020 3.300 489 2HG1 VAL 60 2HG1 VAL 60 22.037 2.822 4.714 490 3HG1 VAL 60 1HG1 VAL 60 20.327 3.018 4.406 491 1HG2 VAL 60 3HG2 VAL 60 23.609 3.954 2.173 492 2HG2 VAL 60 2HG2 VAL 60 23.371 5.428 3.122 493 3HG2 VAL 60 1HG2 VAL 60 23.614 3.889 3.960 494 H VAL 61 H VAL 61 20.718 1.669 0.627 495 HA VAL 61 HA VAL 61 17.766 1.884 1.091 496 HB VAL 61 HB VAL 61 17.790 1.772 -1.137 497 1HG1 VAL 61 3HG1 VAL 61 20.188 2.074 -1.454 498 2HG1 VAL 61 2HG1 VAL 61 20.498 0.332 -1.181 499 3HG1 VAL 61 1HG1 VAL 61 19.558 0.868 -2.576 500 1HG2 VAL 61 3HG2 VAL 61 18.460 -1.190 -0.451 501 2HG2 VAL 61 2HG2 VAL 61 16.803 -0.503 -0.569 502 3HG2 VAL 61 1HG2 VAL 61 17.786 -0.669 -2.006 503 H PHE 62 H PHE 62 16.902 0.388 2.330 504 HA PHE 62 HA PHE 62 18.188 -2.239 2.638 505 1HB PHE 62 2HB PHE 62 18.720 -2.000 5.000 506 2HB PHE 62 1HB PHE 62 19.730 -0.974 4.004 507 HD1 PHE 62 HD2 PHE 62 18.519 1.537 3.614 508 HD2 PHE 62 HD1 PHE 62 18.109 -1.013 6.995 509 HE1 PHE 62 HE2 PHE 62 17.971 3.515 4.966 510 HE2 PHE 62 HE1 PHE 62 17.563 0.908 8.399 511 HZ PHE 62 HZ PHE 62 17.490 3.226 7.369 512 H GLU 63 H GLU 63 16.877 -3.627 3.231 513 HA GLU 63 HA GLU 63 14.057 -3.409 3.491 514 1HB GLU 63 2HB GLU 63 15.899 -5.628 4.465 515 2HB GLU 63 1HB GLU 63 14.080 -5.593 4.568 516 1HG GLU 63 2HG GLU 63 13.849 -5.692 2.172 517 2HG GLU 63 1HG GLU 63 15.395 -5.037 1.851 518 H LEU 64 H LEU 64 14.020 -1.494 4.922 519 HA LEU 64 HA LEU 64 13.402 -0.517 6.858 520 1HB LEU 64 2HB LEU 64 13.162 -3.305 8.096 521 2HB LEU 64 1HB LEU 64 12.564 -1.732 8.700 522 HG LEU 64 HG LEU 64 11.036 -3.527 7.414 523 1HD1 LEU 64 1HD1 LEU 64 10.784 -0.697 8.288 524 2HD1 LEU 64 3HD1 LEU 64 9.578 -1.246 7.135 525 3HD1 LEU 64 2HD1 LEU 64 9.802 -2.121 8.659 526 1HD2 LEU 64 2HD2 LEU 64 11.871 -1.235 5.439 527 2HD2 LEU 64 1HD2 LEU 64 11.937 -2.968 5.104 528 3HD2 LEU 64 3HD2 LEU 64 10.337 -2.158 5.264 529 H GLY 65 H GLY 65 15.208 -3.444 8.117 530 1HA GLY 65 1HA GLY 65 17.200 -1.547 9.271 531 2HA GLY 65 2HA GLY 65 16.291 -2.500 10.341 532 H VAL 66 H VAL 66 19.212 -2.435 8.817 533 HA VAL 66 HA VAL 66 19.579 -5.372 9.260 534 HB VAL 66 HB VAL 66 21.249 -5.163 7.342 535 1HG1 VAL 66 2HG1 VAL 66 18.972 -6.600 7.621 536 2HG1 VAL 66 1HG1 VAL 66 18.346 -5.489 6.436 537 3HG1 VAL 66 3HG1 VAL 66 19.741 -6.534 6.049 538 1HG2 VAL 66 3HG2 VAL 66 20.462 -2.696 6.918 539 2HG2 VAL 66 2HG2 VAL 66 20.542 -3.683 5.468 540 3HG2 VAL 66 1HG2 VAL 66 18.956 -3.421 6.259 541 H ASP 67 H ASP 67 21.371 -5.776 10.389 542 HA ASP 67 HA ASP 67 22.729 -3.713 11.763 543 1HB ASP 67 2HB ASP 67 24.243 -5.276 12.514 544 2HB ASP 67 1HB ASP 67 22.525 -5.434 12.899 545 H PHE 68 H PHE 68 24.793 -2.781 11.587 546 HA PHE 68 HA PHE 68 26.243 -3.364 9.060 547 1HB PHE 68 2HB PHE 68 25.355 -0.677 9.912 548 2HB PHE 68 1HB PHE 68 26.849 -0.900 9.010 549 HD1 PHE 68 HD2 PHE 68 26.252 -3.127 7.084 550 HD2 PHE 68 HD1 PHE 68 23.714 0.094 8.349 551 HE1 PHE 68 HE2 PHE 68 24.983 -3.323 5.016 552 HE2 PHE 68 HE1 PHE 68 22.428 -0.102 6.282 553 HZ PHE 68 HZ PHE 68 23.062 -1.814 4.600 554 H ALA 69 H ALA 69 26.880 -0.883 11.357 555 HA ALA 69 HA ALA 69 28.239 -0.969 13.352 556 1HB ALA 69 2HB ALA 69 29.976 -2.913 11.700 557 2HB ALA 69 1HB ALA 69 30.416 -2.170 13.263 558 3HB ALA 69 3HB ALA 69 29.021 -3.307 13.126 559 H TYR 70 H TYR 70 27.783 0.952 11.872 560 HA TYR 70 HA TYR 70 30.413 2.216 11.312 561 1HB TYR 70 2HB TYR 70 29.838 2.952 9.255 562 2HB TYR 70 1HB TYR 70 28.758 1.537 9.207 563 HD1 TYR 70 HD2 TYR 70 26.141 1.885 9.803 564 HD2 TYR 70 HD1 TYR 70 28.887 5.125 9.153 565 HE1 TYR 70 HE2 TYR 70 24.237 3.409 9.413 566 HE2 TYR 70 HE1 TYR 70 26.989 6.630 8.775 567 HH TYR 70 HH TYR 70 23.638 5.521 9.159 568 H SER 71 H SER 71 30.520 4.185 12.436 569 HA SER 71 HA SER 71 28.499 4.664 14.370 570 1HB SER 71 2HB SER 71 29.728 6.279 15.168 571 2HB SER 71 1HB SER 71 30.970 5.626 14.143 572 HG SER 71 HG SER 71 30.300 7.193 12.521 573 H LEU 72 H LEU 72 27.799 7.063 14.639 574 HA LEU 72 HA LEU 72 25.728 7.429 12.604 575 1HB LEU 72 2HB LEU 72 24.839 7.430 14.740 576 2HB LEU 72 1HB LEU 72 26.244 8.123 15.523 577 HG LEU 72 HG LEU 72 23.905 9.338 15.201 578 1HD1 LEU 72 2HD1 LEU 72 26.556 10.346 15.691 579 2HD1 LEU 72 1HD1 LEU 72 25.565 11.566 14.858 580 3HD1 LEU 72 3HD1 LEU 72 24.989 10.787 16.376 581 1HD2 LEU 72 2HD2 LEU 72 24.354 9.156 12.564 582 2HD2 LEU 72 1HD2 LEU 72 23.468 10.523 13.203 583 3HD2 LEU 72 3HD2 LEU 72 25.149 10.753 12.799 584 H ALA 73 H ALA 73 27.522 7.958 11.177 585 HA ALA 73 HA ALA 73 28.646 9.438 9.871 586 1HB ALA 73 3HB ALA 73 27.380 11.642 11.529 587 2HB ALA 73 2HB ALA 73 28.418 11.838 10.076 588 3HB ALA 73 1HB ALA 73 26.854 11.000 9.939 589 H ASP 74 H ASP 74 28.790 10.856 13.047 590 HA ASP 74 HA ASP 74 31.718 10.455 13.400 591 1HB ASP 74 2HB ASP 74 30.869 12.897 13.114 592 2HB ASP 74 1HB ASP 74 30.648 12.656 14.860 593 H GLY 75 H GLY 75 32.234 9.257 15.042 594 1HA GLY 75 1HA GLY 75 31.647 9.363 17.648 595 2HA GLY 75 2HA GLY 75 30.204 8.573 17.108 596 H THR 76 H THR 76 30.276 6.307 16.969 597 HA THR 76 HA THR 76 32.978 5.104 16.421 598 HB THR 76 HB THR 76 32.867 5.299 18.797 599 HG1 THR 76 1HG THR 76 33.790 3.511 18.791 600 1HG2 THR 76 3HG2 THR 76 30.242 3.769 18.475 601 2HG2 THR 76 2HG2 THR 76 31.348 3.197 19.723 602 3HG2 THR 76 1HG2 THR 76 30.710 4.832 19.840 603 H GLU 77 H GLU 77 29.370 4.456 16.698 604 HA GLU 77 HA GLU 77 29.545 2.636 14.400 605 1HB GLU 77 2HB GLU 77 29.773 1.692 17.239 606 2HB GLU 77 1HB GLU 77 28.726 0.755 16.272 607 1HG GLU 77 2HG GLU 77 31.144 1.036 14.694 608 2HG GLU 77 1HG GLU 77 31.699 0.796 16.349 609 H LEU 78 H LEU 78 27.421 1.674 13.958 610 HA LEU 78 HA LEU 78 25.275 1.987 15.907 611 1HB LEU 78 2HB LEU 78 25.413 3.200 13.034 612 2HB LEU 78 1HB LEU 78 23.915 2.410 13.404 613 HG LEU 78 HG LEU 78 23.683 3.886 15.399 614 1HD1 LEU 78 1HD1 LEU 78 26.209 4.501 15.216 615 2HD1 LEU 78 3HD1 LEU 78 25.621 5.761 14.068 616 3HD1 LEU 78 2HD1 LEU 78 25.147 5.753 15.799 617 1HD2 LEU 78 1HD2 LEU 78 23.004 4.318 12.765 618 2HD2 LEU 78 3HD2 LEU 78 22.767 5.737 13.850 619 3HD2 LEU 78 2HD2 LEU 78 24.200 5.582 12.826 620 H THR 79 H THR 79 26.635 -0.077 15.605 621 HA THR 79 HA THR 79 26.564 -2.023 13.741 622 HB THR 79 HB THR 79 27.025 -2.162 16.503 623 HG1 THR 79 1HG THR 79 27.258 -3.871 14.294 624 1HG2 THR 79 1HG2 THR 79 24.960 -4.327 15.710 625 2HG2 THR 79 3HG2 THR 79 26.023 -4.319 17.156 626 3HG2 THR 79 2HG2 THR 79 24.779 -3.077 16.933 627 H GLY 80 H GLY 80 23.802 -0.847 15.642 628 1HA GLY 80 1HA GLY 80 22.079 -3.105 15.063 629 2HA GLY 80 2HA GLY 80 21.575 -1.517 15.715 630 H THR 81 H THR 81 19.827 -1.447 14.241 631 HA THR 81 HA THR 81 20.488 -0.965 11.362 632 HB THR 81 HB THR 81 18.483 -2.312 10.967 633 HG1 THR 81 1HG THR 81 16.840 -2.042 12.209 634 1HG2 THR 81 2HG2 THR 81 20.470 -3.444 12.262 635 2HG2 THR 81 1HG2 THR 81 19.253 -3.821 13.460 636 3HG2 THR 81 3HG2 THR 81 18.996 -4.366 11.792 637 H TRP 82 H TRP 82 17.632 -0.538 10.923 638 HA TRP 82 HA TRP 82 16.707 1.667 12.653 639 1HB TRP 82 2HB TRP 82 16.174 1.782 9.661 640 2HB TRP 82 1HB TRP 82 16.130 3.073 10.874 641 HD1 TRP 82 HD1 TRP 82 19.423 1.162 9.876 642 HE1 TRP 82 HE1 TRP 82 20.949 2.988 8.820 643 HE3 TRP 82 HE3 TRP 82 16.238 5.111 9.872 644 HZ2 TRP 82 HZ2 TRP 82 20.803 5.750 8.078 645 HZ3 TRP 82 HZ3 TRP 82 16.912 7.274 9.027 646 HH2 TRP 82 HH2 TRP 82 19.220 7.603 8.113 647 H THR 83 H THR 83 14.465 1.884 10.594 648 HA THR 83 HA THR 83 13.345 -0.185 9.506 649 HB THR 83 HB THR 83 11.664 -0.917 11.579 650 HG1 THR 83 1HG THR 83 12.955 -1.427 13.297 651 1HG2 THR 83 3HG2 THR 83 14.174 -2.388 10.580 652 2HG2 THR 83 2HG2 THR 83 13.101 -3.011 11.885 653 3HG2 THR 83 1HG2 THR 83 12.464 -2.785 10.283 654 H MET 84 H MET 84 10.704 -0.069 10.167 655 HA MET 84 HA MET 84 9.951 2.543 11.266 656 1HB MET 84 2HB MET 84 9.028 3.325 9.095 657 2HB MET 84 1HB MET 84 10.632 2.842 8.699 658 1HG MET 84 2HG MET 84 9.966 0.891 7.578 659 2HG MET 84 1HG MET 84 8.570 0.735 8.550 660 1HE MET 84 3HE MET 84 7.884 -0.002 5.898 661 2HE MET 84 2HE MET 84 7.611 1.190 4.582 662 3HE MET 84 1HE MET 84 9.299 0.826 5.133 663 H GLU 85 H GLU 85 7.242 2.288 10.185 664 HA GLU 85 HA GLU 85 6.482 -0.484 10.548 665 1HB GLU 85 2HB GLU 85 7.334 0.487 12.861 666 2HB GLU 85 1HB GLU 85 5.724 1.248 12.832 667 1HG GLU 85 2HG GLU 85 5.009 -1.311 12.156 668 2HG GLU 85 1HG GLU 85 6.473 -1.761 12.809 669 H GLY 86 H GLY 86 5.925 1.634 8.758 670 1HA GLY 86 1HA GLY 86 4.116 2.364 7.548 671 2HA GLY 86 2HA GLY 86 2.993 1.721 8.852 672 H ASN 87 H ASN 87 2.801 2.998 10.797 673 HA ASN 87 HA ASN 87 2.585 5.781 10.293 674 1HB ASN 87 2HB ASN 87 2.324 5.126 12.956 675 2HB ASN 87 1HB ASN 87 1.533 6.285 11.802 676 1HD2 ASN 87 1HD2 ASN 87 0.242 2.398 12.051 677 2HD2 ASN 87 2HD2 ASN 87 1.716 2.938 12.846 678 H LYS 88 H LYS 88 5.566 4.064 11.113 679 HA LYS 88 HA LYS 88 6.989 6.561 11.139 680 1HB LYS 88 2HB LYS 88 7.993 6.252 13.372 681 2HB LYS 88 1HB LYS 88 6.435 6.876 13.498 682 1HG LYS 88 2HG LYS 88 5.642 4.322 13.802 683 2HG LYS 88 1HG LYS 88 7.418 4.041 14.029 684 1HD LYS 88 2HD LYS 88 6.712 6.378 15.499 685 2HD LYS 88 1HD LYS 88 5.564 5.115 15.974 686 1HE LYS 88 2HE LYS 88 8.616 4.646 15.975 687 2HE LYS 88 1HE LYS 88 7.657 5.284 17.356 688 1HZ LYS 88 3HZ LYS 88 6.322 3.092 16.415 689 2HZ LYS 88 2HZ LYS 88 7.927 2.625 16.516 690 3HZ LYS 88 1HZ LYS 88 7.129 3.311 17.867 691 H LEU 89 H LEU 89 8.870 6.364 10.862 692 HA LEU 89 HA LEU 89 10.424 4.022 10.154 693 1HB LEU 89 2HB LEU 89 10.630 6.933 10.345 694 2HB LEU 89 1HB LEU 89 11.982 6.124 11.096 695 HG LEU 89 HG LEU 89 11.461 5.004 8.500 696 1HD1 LEU 89 3HD1 LEU 89 10.550 7.677 8.612 697 2HD1 LEU 89 2HD1 LEU 89 11.902 7.581 7.426 698 3HD1 LEU 89 1HD1 LEU 89 10.505 6.540 7.278 699 1HD2 LEU 89 1HD2 LEU 89 13.681 6.447 9.938 700 2HD2 LEU 89 3HD2 LEU 89 13.941 5.381 8.517 701 3HD2 LEU 89 2HD2 LEU 89 13.565 7.090 8.312 702 H VAL 90 H VAL 90 12.599 4.195 11.487 703 HA VAL 90 HA VAL 90 12.685 4.783 14.221 704 HB VAL 90 HB VAL 90 13.058 1.859 13.760 705 1HG1 VAL 90 3HG1 VAL 90 12.738 3.618 16.136 706 2HG1 VAL 90 2HG1 VAL 90 11.788 2.156 16.280 707 3HG1 VAL 90 1HG1 VAL 90 13.505 1.995 15.987 708 1HG2 VAL 90 2HG2 VAL 90 10.537 2.285 13.057 709 2HG2 VAL 90 1HG2 VAL 90 10.750 1.236 14.445 710 3HG2 VAL 90 3HG2 VAL 90 10.310 2.921 14.727 711 H GLY 91 H GLY 91 14.526 5.692 13.661 712 1HA GLY 91 1HA GLY 91 16.517 5.160 11.845 713 2HA GLY 91 2HA GLY 91 16.659 6.008 13.379 714 H LYS 92 H LYS 92 15.623 3.827 14.876 715 HA LYS 92 HA LYS 92 16.482 2.364 16.331 716 1HB LYS 92 2HB LYS 92 15.713 0.998 14.120 717 2HB LYS 92 1HB LYS 92 17.387 0.405 14.256 718 1HG LYS 92 2HG LYS 92 14.974 -0.046 15.857 719 2HG LYS 92 1HG LYS 92 16.315 -1.149 15.577 720 1HD LYS 92 2HD LYS 92 17.665 0.213 17.287 721 2HD LYS 92 1HD LYS 92 16.096 1.040 17.582 722 1HE LYS 92 2HE LYS 92 16.637 -1.934 17.907 723 2HE LYS 92 1HE LYS 92 16.095 -0.736 19.162 724 1HZ LYS 92 3HZ LYS 92 14.085 -0.458 17.727 725 2HZ LYS 92 2HZ LYS 92 14.598 -1.777 16.857 726 3HZ LYS 92 1HZ LYS 92 14.274 -1.954 18.503 727 H PHE 93 H PHE 93 18.674 0.417 15.620 728 HA PHE 93 HA PHE 93 20.966 0.334 15.338 729 1HB PHE 93 2HB PHE 93 21.480 3.076 16.540 730 2HB PHE 93 1HB PHE 93 22.473 2.013 15.648 731 HD1 PHE 93 HD2 PHE 93 21.844 1.311 13.308 732 HD2 PHE 93 HD1 PHE 93 20.577 5.063 14.966 733 HE1 PHE 93 HE2 PHE 93 21.612 2.202 11.076 734 HE2 PHE 93 HE1 PHE 93 20.329 5.979 12.763 735 HZ PHE 93 HZ PHE 93 20.828 4.629 10.782 736 H LYS 94 H LYS 94 22.585 0.414 16.708 737 HA LYS 94 HA LYS 94 22.507 0.694 19.574 738 1HB LYS 94 2HB LYS 94 21.713 -1.839 18.338 739 2HB LYS 94 1HB LYS 94 23.316 -1.957 19.350 740 1HG LYS 94 2HG LYS 94 22.330 -0.693 21.104 741 2HG LYS 94 1HG LYS 94 20.959 -0.307 20.259 742 1HD LYS 94 2HD LYS 94 21.610 -3.074 21.403 743 2HD LYS 94 1HD LYS 94 20.431 -1.935 21.981 744 1HE LYS 94 2HE LYS 94 19.674 -2.292 19.286 745 2HE LYS 94 1HE LYS 94 20.231 -3.922 19.858 746 1HZ LYS 94 2HZ LYS 94 18.290 -2.236 21.263 747 2HZ LYS 94 1HZ LYS 94 17.937 -3.549 20.235 748 3HZ LYS 94 3HZ LYS 94 18.744 -3.821 21.667 749 H ARG 95 H ARG 95 24.182 1.851 19.341 750 HA ARG 95 HA ARG 95 26.376 1.459 17.648 751 1HB ARG 95 2HB ARG 95 26.958 2.016 20.573 752 2HB ARG 95 1HB ARG 95 27.677 2.896 19.146 753 1HG ARG 95 2HG ARG 95 25.380 3.591 20.922 754 2HG ARG 95 1HG ARG 95 26.617 4.517 20.184 755 1HD ARG 95 2HD ARG 95 24.143 3.622 18.636 756 2HD ARG 95 1HD ARG 95 24.541 5.152 19.294 757 HE ARG 95 HE ARG 95 25.697 3.959 16.934 758 1HH1 ARG 95 2HH2 ARG 95 26.085 6.255 19.578 759 2HH1 ARG 95 1HH2 ARG 95 27.263 7.261 18.737 760 1HH2 ARG 95 1HH1 ARG 95 27.544 5.626 15.801 761 2HH2 ARG 95 2HH1 ARG 95 27.942 6.902 16.869 762 H VAL 96 H VAL 96 28.581 1.340 19.181 763 HA VAL 96 HA VAL 96 28.769 -1.408 20.342 764 HB VAL 96 HB VAL 96 30.134 0.085 18.127 765 1HG1 VAL 96 3HG1 VAL 96 31.609 -1.678 20.124 766 2HG1 VAL 96 2HG1 VAL 96 32.267 -1.041 18.572 767 3HG1 VAL 96 1HG1 VAL 96 31.909 0.065 19.865 768 1HG2 VAL 96 3HG2 VAL 96 29.288 -2.744 18.795 769 2HG2 VAL 96 2HG2 VAL 96 28.773 -1.718 17.476 770 3HG2 VAL 96 1HG2 VAL 96 30.426 -2.416 17.436 771 H ASP 97 H ASP 97 29.736 2.155 20.451 772 HA ASP 97 HA ASP 97 31.776 2.034 22.365 773 1HB ASP 97 2HB ASP 97 31.289 4.054 21.530 774 2HB ASP 97 1HB ASP 97 29.616 4.036 22.017 775 H ASN 98 H ASN 98 28.435 1.293 22.592 776 HA ASN 98 HA ASN 98 28.749 -0.038 25.120 777 1HB ASN 98 2HB ASN 98 28.949 2.000 26.007 778 2HB ASN 98 1HB ASN 98 27.652 2.608 25.060 779 1HD2 ASN 98 2HD2 ASN 98 26.847 1.012 28.723 780 2HD2 ASN 98 1HD2 ASN 98 28.440 1.148 28.054 781 H GLY 99 H GLY 99 26.556 1.511 22.847 782 1HA GLY 99 1HA GLY 99 24.952 0.301 21.576 783 2HA GLY 99 2HA GLY 99 24.458 -0.624 22.915 784 H LYS 100 H LYS 100 24.120 2.234 21.197 785 HA LYS 100 HA LYS 100 22.396 3.535 23.281 786 1HB LYS 100 2HB LYS 100 23.828 4.590 20.974 787 2HB LYS 100 1HB LYS 100 22.268 5.291 21.353 788 1HG LYS 100 2HG LYS 100 24.054 6.447 22.580 789 2HG LYS 100 1HG LYS 100 23.007 5.561 23.791 790 1HD LYS 100 2HD LYS 100 24.706 4.173 24.374 791 2HD LYS 100 1HD LYS 100 25.207 3.899 22.798 792 1HE LYS 100 2HE LYS 100 26.768 5.794 22.867 793 2HE LYS 100 1HE LYS 100 25.823 6.533 24.200 794 1HZ LYS 100 3HZ LYS 100 26.512 4.344 25.365 795 2HZ LYS 100 2HZ LYS 100 27.787 4.387 24.261 796 3HZ LYS 100 1HZ LYS 100 27.544 5.665 25.330 797 H GLU 101 H GLU 101 20.498 4.817 21.872 798 HA GLU 101 HA GLU 101 19.515 2.932 19.824 799 1HB GLU 101 2HB GLU 101 18.196 3.062 22.437 800 2HB GLU 101 1HB GLU 101 17.123 3.383 21.182 801 1HG GLU 101 2HG GLU 101 18.577 1.139 20.200 802 2HG GLU 101 1HG GLU 101 18.313 0.865 21.916 803 H LEU 102 H LEU 102 20.614 4.877 19.074 804 HA LEU 102 HA LEU 102 20.014 7.500 18.787 805 1HB LEU 102 2HB LEU 102 20.311 5.294 16.776 806 2HB LEU 102 1HB LEU 102 20.010 6.929 16.162 807 HG LEU 102 HG LEU 102 22.119 6.824 18.291 808 1HD1 LEU 102 1HD1 LEU 102 22.507 4.729 16.643 809 2HD1 LEU 102 3HD1 LEU 102 23.267 6.031 15.657 810 3HD1 LEU 102 2HD1 LEU 102 23.829 5.693 17.334 811 1HD2 LEU 102 2HD2 LEU 102 21.195 8.695 16.731 812 2HD2 LEU 102 1HD2 LEU 102 22.943 8.673 16.897 813 3HD2 LEU 102 3HD2 LEU 102 22.164 8.001 15.444 814 H ILE 103 H ILE 103 18.476 4.828 17.047 815 HA ILE 103 HA ILE 103 16.404 4.249 16.536 816 HB ILE 103 HB ILE 103 16.189 6.031 18.914 817 1HG1 ILE 103 2HG1 ILE 103 16.344 3.595 18.876 818 2HG1 ILE 103 1HG1 ILE 103 14.929 4.033 19.719 819 1HG2 ILE 103 2HG2 ILE 103 14.584 7.172 17.468 820 2HG2 ILE 103 1HG2 ILE 103 13.610 5.665 17.451 821 3HG2 ILE 103 3HG2 ILE 103 13.962 6.525 18.997 822 1HD1 ILE 103 3HD1 ILE 103 14.685 3.251 16.782 823 2HD1 ILE 103 2HD1 ILE 103 14.583 2.081 18.093 824 3HD1 ILE 103 1HD1 ILE 103 13.427 3.384 18.056 825 H ALA 104 H ALA 104 17.722 7.227 15.752 826 HA ALA 104 HA ALA 104 16.391 9.135 14.823 827 1HB ALA 104 1HB ALA 104 18.589 7.944 13.926 828 2HB ALA 104 3HB ALA 104 17.571 7.473 12.528 829 3HB ALA 104 2HB ALA 104 17.823 9.202 12.944 830 H VAL 105 H VAL 105 14.038 8.149 15.244 831 HA VAL 105 HA VAL 105 13.070 6.765 12.840 832 HB VAL 105 HB VAL 105 11.329 6.183 13.894 833 1HG1 VAL 105 2HG1 VAL 105 12.567 7.434 16.364 834 2HG1 VAL 105 1HG1 VAL 105 11.126 6.455 16.397 835 3HG1 VAL 105 3HG1 VAL 105 12.625 5.695 15.887 836 1HG2 VAL 105 3HG2 VAL 105 10.859 9.146 14.482 837 2HG2 VAL 105 2HG2 VAL 105 9.783 7.844 13.850 838 3HG2 VAL 105 1HG2 VAL 105 10.101 8.022 15.577 839 H ARG 106 H ARG 106 11.796 7.901 11.263 840 HA ARG 106 HA ARG 106 11.894 10.861 11.131 841 1HB ARG 106 2HB ARG 106 12.461 8.694 9.393 842 2HB ARG 106 1HB ARG 106 10.954 9.513 8.750 843 1HG ARG 106 2HG ARG 106 12.022 11.094 7.894 844 2HG ARG 106 1HG ARG 106 12.401 11.638 9.465 845 1HD ARG 106 2HD ARG 106 14.124 9.409 8.293 846 2HD ARG 106 1HD ARG 106 14.345 11.070 7.679 847 HE ARG 106 HE ARG 106 14.458 11.288 10.457 848 1HH1 ARG 106 2HH2 ARG 106 16.270 9.298 8.147 849 2HH1 ARG 106 1HH2 ARG 106 17.651 9.235 9.173 850 1HH2 ARG 106 1HH1 ARG 106 16.268 11.182 11.770 851 2HH2 ARG 106 2HH1 ARG 106 17.627 10.288 11.193 852 H GLU 107 H GLU 107 10.196 8.271 12.057 853 HA GLU 107 HA GLU 107 8.008 7.605 12.047 854 1HB GLU 107 2HB GLU 107 8.783 10.250 13.143 855 2HB GLU 107 1HB GLU 107 6.941 10.150 12.920 856 1HG GLU 107 2HG GLU 107 7.999 7.805 14.351 857 2HG GLU 107 1HG GLU 107 8.638 9.119 15.044 858 H ILE 108 H ILE 108 7.889 11.061 11.359 859 HA ILE 108 HA ILE 108 7.003 12.419 9.781 860 HB ILE 108 HB ILE 108 7.695 10.470 8.341 861 1HG1 ILE 108 2HG1 ILE 108 5.384 12.344 7.501 862 2HG1 ILE 108 1HG1 ILE 108 7.040 12.796 7.886 863 1HG2 ILE 108 2HG2 ILE 108 4.874 9.531 8.857 864 2HG2 ILE 108 1HG2 ILE 108 4.977 10.026 7.179 865 3HG2 ILE 108 3HG2 ILE 108 6.106 8.811 7.856 866 1HD1 ILE 108 1HD1 ILE 108 6.724 10.445 6.024 867 2HD1 ILE 108 3HD1 ILE 108 6.251 12.043 5.341 868 3HD1 ILE 108 2HD1 ILE 108 7.931 11.686 5.882 869 H SER 109 H SER 109 5.008 13.426 9.658 870 HA SER 109 HA SER 109 2.546 12.143 9.899 871 1HB SER 109 2HB SER 109 2.983 11.389 12.186 872 2HB SER 109 1HB SER 109 3.925 12.838 12.536 873 HG SER 109 HG SER 109 1.941 13.113 13.493 874 H GLY 110 H GLY 110 1.402 13.468 8.969 875 1HA GLY 110 1HA GLY 110 0.392 15.400 8.283 876 2HA GLY 110 2HA GLY 110 0.693 16.055 9.985 877 H ASN 111 H ASN 111 2.509 15.188 7.058 878 HA ASN 111 HA ASN 111 4.387 16.206 6.113 879 1HB ASN 111 2HB ASN 111 2.551 18.040 5.975 880 2HB ASN 111 1HB ASN 111 3.720 18.926 6.904 881 1HD2 ASN 111 2HD2 ASN 111 4.787 17.483 3.116 882 2HD2 ASN 111 1HD2 ASN 111 3.754 16.553 4.193 883 H GLU 112 H GLU 112 5.367 15.022 7.991 884 HA GLU 112 HA GLU 112 7.117 16.955 9.440 885 1HB GLU 112 2HB GLU 112 5.275 15.019 10.566 886 2HB GLU 112 1HB GLU 112 6.852 14.400 10.911 887 1HG GLU 112 2HG GLU 112 5.779 16.013 12.719 888 2HG GLU 112 1HG GLU 112 7.432 16.227 12.358 889 H LEU 113 H LEU 113 8.541 14.946 10.614 890 HA LEU 113 HA LEU 113 9.182 12.641 9.219 891 1HB LEU 113 2HB LEU 113 10.974 15.031 8.616 892 2HB LEU 113 1HB LEU 113 11.732 13.430 9.015 893 HG LEU 113 HG LEU 113 9.909 14.230 6.736 894 1HD1 LEU 113 2HD1 LEU 113 12.726 13.479 7.231 895 2HD1 LEU 113 1HD1 LEU 113 12.018 12.351 6.072 896 3HD1 LEU 113 3HD1 LEU 113 11.976 14.126 5.768 897 1HD2 LEU 113 3HD2 LEU 113 10.212 11.449 8.009 898 2HD2 LEU 113 2HD2 LEU 113 8.810 12.261 7.392 899 3HD2 LEU 113 1HD2 LEU 113 10.002 11.589 6.226 900 H ILE 114 H ILE 114 10.071 15.239 11.526 901 HA ILE 114 HA ILE 114 10.324 15.079 13.748 902 HB ILE 114 HB ILE 114 9.707 12.271 14.086 903 1HG1 ILE 114 2HG1 ILE 114 8.138 12.956 11.889 904 2HG1 ILE 114 1HG1 ILE 114 7.774 11.843 13.108 905 1HG2 ILE 114 1HG2 ILE 114 9.769 14.203 15.603 906 2HG2 ILE 114 3HG2 ILE 114 8.139 14.587 15.084 907 3HG2 ILE 114 2HG2 ILE 114 8.410 13.047 15.844 908 1HD1 ILE 114 2HD1 ILE 114 6.872 14.752 13.614 909 2HD1 ILE 114 1HD1 ILE 114 6.031 13.718 12.469 910 3HD1 ILE 114 3HD1 ILE 114 6.124 13.195 14.128 911 H GLN 115 H GLN 115 12.156 12.876 11.744 912 HA GLN 115 HA GLN 115 13.914 11.467 12.392 913 1HB GLN 115 2HB GLN 115 14.445 14.443 13.103 914 2HB GLN 115 1HB GLN 115 15.690 13.228 12.770 915 1HG GLN 115 2HG GLN 115 13.584 13.560 10.636 916 2HG GLN 115 1HG GLN 115 14.525 15.051 10.937 917 1HE2 GLN 115 2HE2 GLN 115 16.223 12.651 8.425 918 2HE2 GLN 115 1HE2 GLN 115 14.550 13.126 8.588 919 H THR 116 H THR 116 12.250 11.396 14.595 920 HA THR 116 HA THR 116 13.366 12.180 17.117 921 HB THR 116 HB THR 116 11.674 9.878 16.084 922 HG1 THR 116 1HG THR 116 10.299 11.365 16.034 923 1HG2 THR 116 2HG2 THR 116 12.944 9.790 18.670 924 2HG2 THR 116 1HG2 THR 116 11.289 10.368 19.037 925 3HG2 THR 116 3HG2 THR 116 11.546 8.881 18.168 926 H TYR 117 H TYR 117 15.588 11.829 17.065 927 HA TYR 117 HA TYR 117 16.147 8.906 17.249 928 1HB TYR 117 2HB TYR 117 18.612 10.221 17.802 929 2HB TYR 117 1HB TYR 117 18.289 9.374 16.461 930 HD1 TYR 117 HD2 TYR 117 17.097 10.802 14.355 931 HD2 TYR 117 HD1 TYR 117 19.426 12.573 17.426 932 HE1 TYR 117 HE2 TYR 117 17.545 12.650 12.896 933 HE2 TYR 117 HE1 TYR 117 19.934 14.479 16.005 934 HH TYR 117 HH TYR 117 19.129 14.458 12.582 935 H THR 118 H THR 118 15.542 8.309 19.052 936 HA THR 118 HA THR 118 16.098 9.771 21.542 937 HB THR 118 HB THR 118 14.456 7.298 21.574 938 HG1 THR 118 1HG THR 118 12.875 9.122 21.203 939 1HG2 THR 118 1HG2 THR 118 14.582 10.179 22.819 940 2HG2 THR 118 3HG2 THR 118 13.420 8.912 23.357 941 3HG2 THR 118 2HG2 THR 118 15.189 8.750 23.633 942 H TYR 119 H TYR 119 18.507 8.921 21.044 943 HA TYR 119 HA TYR 119 19.207 6.150 21.568 944 1HB TYR 119 2HB TYR 119 21.408 6.881 21.923 945 2HB TYR 119 1HB TYR 119 20.759 7.691 20.523 946 HD1 TYR 119 HD1 TYR 119 19.754 10.314 21.099 947 HD2 TYR 119 HD2 TYR 119 22.431 8.073 23.643 948 HE1 TYR 119 HE1 TYR 119 20.354 12.344 22.258 949 HE2 TYR 119 HE2 TYR 119 23.039 10.127 24.817 950 HH TYR 119 HH TYR 119 22.601 13.075 23.675 951 H GLU 120 H GLU 120 18.104 8.684 23.777 952 HA GLU 120 HA GLU 120 18.371 6.672 25.848 953 1HB GLU 120 2HB GLU 120 20.417 6.752 26.339 954 2HB GLU 120 1HB GLU 120 20.734 7.977 25.101 955 1HG GLU 120 2HG GLU 120 21.512 9.256 26.761 956 2HG GLU 120 1HG GLU 120 19.823 9.714 26.886 957 H GLY 121 H GLY 121 16.577 8.980 24.881 958 1HA GLY 121 1HA GLY 121 14.800 9.614 26.364 959 2HA GLY 121 2HA GLY 121 15.844 9.883 27.616 960 H VAL 122 H VAL 122 16.447 10.825 24.277 961 HA VAL 122 HA VAL 122 16.169 13.710 25.133 962 HB VAL 122 HB VAL 122 18.344 12.431 23.421 963 1HG1 VAL 122 3HG1 VAL 122 17.196 15.051 23.245 964 2HG1 VAL 122 2HG1 VAL 122 18.710 15.286 24.136 965 3HG1 VAL 122 1HG1 VAL 122 18.709 14.497 22.533 966 1HG2 VAL 122 3HG2 VAL 122 17.988 13.653 26.243 967 2HG2 VAL 122 2HG2 VAL 122 18.911 12.234 25.804 968 3HG2 VAL 122 1HG2 VAL 122 19.586 13.826 25.455 969 H GLU 123 H GLU 123 16.661 11.674 22.223 970 HA GLU 123 HA GLU 123 15.739 11.695 20.039 971 1HB GLU 123 2HB GLU 123 13.419 11.765 21.445 972 2HB GLU 123 1HB GLU 123 13.520 13.436 21.367 973 1HG GLU 123 2HG GLU 123 13.860 13.142 18.689 974 2HG GLU 123 1HG GLU 123 13.581 11.552 18.952 975 H ALA 124 H ALA 124 16.902 12.841 18.751 976 HA ALA 124 HA ALA 124 16.342 15.743 18.869 977 1HB ALA 124 3HB ALA 124 18.938 14.296 18.063 978 2HB ALA 124 2HB ALA 124 18.681 15.996 17.658 979 3HB ALA 124 1HB ALA 124 18.700 15.431 19.386 980 H LYS 125 H LYS 125 15.414 16.587 17.357 981 HA LYS 125 HA LYS 125 15.259 15.355 14.616 982 1HB LYS 125 2HB LYS 125 12.739 16.384 15.789 983 2HB LYS 125 1HB LYS 125 13.114 15.034 14.712 984 1HG LYS 125 2HG LYS 125 12.532 13.861 16.870 985 2HG LYS 125 1HG LYS 125 14.203 14.031 17.040 986 1HD LYS 125 2HD LYS 125 12.853 14.783 18.952 987 2HD LYS 125 1HD LYS 125 13.911 16.012 18.389 988 1HE LYS 125 2HE LYS 125 11.337 16.503 17.066 989 2HE LYS 125 1HE LYS 125 10.988 15.999 18.720 990 1HZ LYS 125 1HZ LYS 125 12.754 17.717 19.340 991 2HZ LYS 125 3HZ LYS 125 12.523 18.326 17.782 992 3HZ LYS 125 2HZ LYS 125 11.211 18.263 18.835 993 H ARG 126 H ARG 126 13.017 17.183 14.076 994 HA ARG 126 HA ARG 126 12.865 19.770 14.913 995 1HB ARG 126 2HB ARG 126 15.314 19.566 13.350 996 2HB ARG 126 1HB ARG 126 14.110 20.970 13.194 997 1HG ARG 126 2HG ARG 126 14.791 20.222 15.925 998 2HG ARG 126 1HG ARG 126 16.077 21.201 14.992 999 1HD ARG 126 2HD ARG 126 14.940 22.909 15.634 1000 2HD ARG 126 1HD ARG 126 13.811 22.472 14.322 1001 HE ARG 126 HE ARG 126 13.122 21.009 16.670 1002 1HH1 ARG 126 2HH1 ARG 126 13.142 24.418 15.744 1003 2HH1 ARG 126 1HH1 ARG 126 11.903 24.799 16.869 1004 1HH2 ARG 126 2HH2 ARG 126 11.528 21.587 18.113 1005 2HH2 ARG 126 1HH2 ARG 126 10.967 23.250 18.236 1006 H ILE 127 H ILE 127 13.861 17.828 12.198 1007 HA ILE 127 HA ILE 127 12.233 16.845 10.744 1008 HB ILE 127 HB ILE 127 10.897 19.599 10.792 1009 1HG1 ILE 127 2HG1 ILE 127 9.050 18.414 11.659 1010 2HG1 ILE 127 1HG1 ILE 127 9.596 16.902 10.918 1011 1HG2 ILE 127 1HG2 ILE 127 10.902 19.009 8.465 1012 2HG2 ILE 127 3HG2 ILE 127 10.192 17.420 8.930 1013 3HG2 ILE 127 2HG2 ILE 127 9.288 18.896 9.115 1014 1HD1 ILE 127 1HD1 ILE 127 11.321 16.777 12.916 1015 2HD1 ILE 127 3HD1 ILE 127 10.484 18.202 13.629 1016 3HD1 ILE 127 2HD1 ILE 127 9.583 16.759 13.366 1017 H PHE 128 H PHE 128 11.914 16.790 8.751 1018 HA PHE 128 HA PHE 128 13.935 17.095 6.927 1019 1HB PHE 128 2HB PHE 128 12.147 16.635 5.287 1020 2HB PHE 128 1HB PHE 128 11.707 15.718 6.674 1021 HD1 PHE 128 HD2 PHE 128 11.045 19.159 5.105 1022 HD2 PHE 128 HD1 PHE 128 9.522 15.939 7.411 1023 HE1 PHE 128 HE2 PHE 128 8.942 20.235 4.988 1024 HE2 PHE 128 HE1 PHE 128 7.292 17.043 7.295 1025 HZ PHE 128 HZ PHE 128 6.938 19.162 6.122 1026 H LYS 129 H LYS 129 13.993 17.954 5.104 1027 HA LYS 129 HA LYS 129 13.046 20.728 4.977 1028 1HB LYS 129 2HB LYS 129 15.458 20.587 5.612 1029 2HB LYS 129 1HB LYS 129 15.780 20.333 3.882 1030 1HG LYS 129 2HG LYS 129 13.891 22.438 5.025 1031 2HG LYS 129 1HG LYS 129 15.586 22.745 5.060 1032 1HD LYS 129 2HD LYS 129 15.537 23.565 2.940 1033 2HD LYS 129 1HD LYS 129 14.939 22.022 2.358 1034 1HE LYS 129 2HE LYS 129 12.543 22.802 2.749 1035 2HE LYS 129 1HE LYS 129 13.134 24.196 3.615 1036 1HZ LYS 129 2HZ LYS 129 14.262 24.746 1.357 1037 2HZ LYS 129 1HZ LYS 129 13.047 23.747 0.761 1038 3HZ LYS 129 3HZ LYS 129 12.613 25.098 1.628 1039 H LYS 130 H LYS 130 12.423 18.079 4.153 1040 HA LYS 130 HA LYS 130 12.082 16.886 2.145 1041 1HB LYS 130 2HB LYS 130 10.190 16.786 2.688 1042 2HB LYS 130 1HB LYS 130 9.944 18.563 2.998 1043 1HG LYS 130 2HG LYS 130 10.126 17.346 0.235 1044 2HG LYS 130 1HG LYS 130 8.742 16.927 1.134 1045 1HD LYS 130 2HD LYS 130 9.005 19.877 1.305 1046 2HD LYS 130 1HD LYS 130 9.108 19.369 -0.393 1047 1HE LYS 130 2HE LYS 130 7.010 17.822 0.314 1048 2HE LYS 130 1HE LYS 130 6.788 19.050 1.540 1049 1HZ LYS 130 1HZ LYS 130 7.135 20.630 -0.505 1050 2HZ LYS 130 3HZ LYS 130 6.620 19.238 -1.349 1051 3HZ LYS 130 2HZ LYS 130 5.629 19.899 -0.160 1052 H GLU 131 H GLU 131 11.912 16.679 0.199 1053 HA GLU 131 HA GLU 131 12.177 19.046 -1.495 1054 1HB GLU 131 2HB GLU 131 14.308 18.153 -0.411 1055 2HB GLU 131 1HB GLU 131 14.284 16.997 -1.281 1056 1HG GLU 131 2HG GLU 131 14.495 19.856 -2.452 1057 2HG GLU 131 1HG GLU 131 15.879 18.819 -2.215 No H/Q in entry = 1057 Start of MODEL 3 1 1H ALA 1 2H ALA 1 4.207 7.084 3.331 2 2H ALA 1 1H ALA 1 2.865 6.930 4.280 3 3H ALA 1 3H ALA 1 2.837 7.907 2.935 4 HA ALA 1 HA ALA 1 3.115 9.514 4.453 5 1HB ALA 1 2HB ALA 1 4.562 7.253 5.940 6 2HB ALA 1 1HB ALA 1 4.407 8.948 6.539 7 3HB ALA 1 3HB ALA 1 2.961 7.962 6.413 8 H PHE 2 H PHE 2 6.209 7.758 5.140 9 HA PHE 2 HA PHE 2 7.752 9.978 4.102 10 1HB PHE 2 2HB PHE 2 9.385 7.663 4.293 11 2HB PHE 2 1HB PHE 2 9.476 9.265 5.159 12 HD1 PHE 2 HD1 PHE 2 7.587 5.956 5.376 13 HD2 PHE 2 HD2 PHE 2 9.281 9.288 7.407 14 HE1 PHE 2 HE1 PHE 2 7.030 4.909 7.553 15 HE2 PHE 2 HE2 PHE 2 8.765 8.309 9.525 16 HZ PHE 2 HZ PHE 2 7.606 6.062 9.632 17 H ASP 3 H ASP 3 7.390 10.236 1.898 18 HA ASP 3 HA ASP 3 8.582 8.229 0.074 19 1HB ASP 3 2HB ASP 3 6.161 9.800 -0.850 20 2HB ASP 3 1HB ASP 3 6.999 8.381 -1.597 21 H GLY 4 H GLY 4 9.679 9.214 -1.816 22 1HA GLY 4 1HA GLY 4 10.371 11.425 -2.849 23 2HA GLY 4 2HA GLY 4 9.620 12.149 -1.539 24 H THR 5 H THR 5 11.094 13.485 -1.483 25 HA THR 5 HA THR 5 13.800 13.246 -0.222 26 HB THR 5 HB THR 5 13.782 15.473 -0.561 27 HG1 THR 5 1HG THR 5 11.316 15.237 -1.950 28 1HG2 THR 5 2HG2 THR 5 13.757 13.440 -2.610 29 2HG2 THR 5 1HG2 THR 5 12.669 14.672 -3.291 30 3HG2 THR 5 3HG2 THR 5 14.374 15.096 -2.966 31 H TRP 6 H TRP 6 14.217 14.633 1.305 32 HA TRP 6 HA TRP 6 12.391 15.441 3.413 33 1HB TRP 6 2HB TRP 6 13.642 12.634 3.000 34 2HB TRP 6 1HB TRP 6 13.603 13.372 4.570 35 HD1 TRP 6 HD1 TRP 6 11.979 10.712 3.262 36 HE1 TRP 6 HE1 TRP 6 9.441 10.494 3.346 37 HE3 TRP 6 HE3 TRP 6 10.733 15.686 4.324 38 HZ2 TRP 6 HZ2 TRP 6 7.267 12.148 3.727 39 HZ3 TRP 6 HZ3 TRP 6 8.409 16.161 4.509 40 HH2 TRP 6 HH2 TRP 6 6.690 14.481 4.220 41 H LYS 7 H LYS 7 14.090 15.988 5.443 42 HA LYS 7 HA LYS 7 16.856 15.496 4.635 43 1HB LYS 7 2HB LYS 7 16.089 18.282 5.052 44 2HB LYS 7 1HB LYS 7 17.494 17.659 4.337 45 1HG LYS 7 2HG LYS 7 16.245 16.670 2.486 46 2HG LYS 7 1HG LYS 7 14.740 17.101 2.910 47 1HD LYS 7 2HD LYS 7 15.762 18.216 0.990 48 2HD LYS 7 1HD LYS 7 15.400 19.508 2.077 49 1HE LYS 7 2HE LYS 7 17.736 19.951 2.353 50 2HE LYS 7 1HE LYS 7 18.176 18.267 2.285 51 1HZ LYS 7 1HZ LYS 7 17.199 18.935 -0.234 52 2HZ LYS 7 3HZ LYS 7 18.285 20.147 0.244 53 3HZ LYS 7 2HZ LYS 7 18.775 18.543 0.254 54 H VAL 8 H VAL 8 17.351 17.897 6.435 55 HA VAL 8 HA VAL 8 16.015 17.308 8.911 56 HB VAL 8 HB VAL 8 18.862 16.549 8.765 57 1HG1 VAL 8 3HG1 VAL 8 17.391 17.950 10.896 58 2HG1 VAL 8 2HG1 VAL 8 17.740 16.346 11.467 59 3HG1 VAL 8 1HG1 VAL 8 19.059 17.457 10.952 60 1HG2 VAL 8 2HG2 VAL 8 16.347 15.090 9.552 61 2HG2 VAL 8 1HG2 VAL 8 17.527 14.611 8.349 62 3HG2 VAL 8 3HG2 VAL 8 17.983 14.563 10.090 63 H ASP 9 H ASP 9 15.541 19.284 7.701 64 HA ASP 9 HA ASP 9 16.785 21.672 7.324 65 1HB ASP 9 2HB ASP 9 14.268 20.682 7.645 66 2HB ASP 9 1HB ASP 9 14.443 21.507 9.119 67 H ARG 10 H ARG 10 15.632 20.512 10.419 68 HA ARG 10 HA ARG 10 17.349 22.707 11.615 69 1HB ARG 10 2HB ARG 10 15.282 22.477 13.317 70 2HB ARG 10 1HB ARG 10 15.605 23.752 12.175 71 1HG ARG 10 2HG ARG 10 14.030 21.430 11.030 72 2HG ARG 10 1HG ARG 10 13.189 22.363 12.214 73 1HD ARG 10 2HD ARG 10 14.684 23.852 10.045 74 2HD ARG 10 1HD ARG 10 13.077 23.131 9.707 75 HE ARG 10 HE ARG 10 12.625 24.484 12.035 76 1HH1 ARG 10 1HH2 ARG 10 14.041 25.430 8.868 77 2HH1 ARG 10 2HH2 ARG 10 13.448 27.060 9.031 78 1HH2 ARG 10 2HH1 ARG 10 11.897 26.696 12.094 79 2HH2 ARG 10 1HH1 ARG 10 12.228 27.808 10.835 80 H ASN 11 H ASN 11 17.404 22.258 14.183 81 HA ASN 11 HA ASN 11 17.471 19.344 14.568 82 1HB ASN 11 2HB ASN 11 20.063 19.690 15.164 83 2HB ASN 11 1HB ASN 11 19.540 19.312 13.533 84 1HD2 ASN 11 1HD2 ASN 11 21.162 22.155 12.303 85 2HD2 ASN 11 2HD2 ASN 11 20.630 20.503 12.053 86 H GLU 12 H GLU 12 16.560 19.162 16.336 87 HA GLU 12 HA GLU 12 17.278 20.925 18.656 88 1HB GLU 12 2HB GLU 12 14.742 19.807 17.911 89 2HB GLU 12 1HB GLU 12 15.205 19.185 19.498 90 1HG GLU 12 2HG GLU 12 15.109 22.127 18.624 91 2HG GLU 12 1HG GLU 12 13.778 21.385 19.417 92 H ASN 13 H ASN 13 17.989 19.970 20.600 93 HA ASN 13 HA ASN 13 19.332 18.580 21.806 94 1HB ASN 13 2HB ASN 13 16.860 17.102 21.269 95 2HB ASN 13 1HB ASN 13 18.180 16.013 21.567 96 1HD2 ASN 13 1HD2 ASN 13 16.741 16.811 24.916 97 2HD2 ASN 13 2HD2 ASN 13 16.297 15.864 23.495 98 H TYR 14 H TYR 14 19.817 18.868 18.873 99 HA TYR 14 HA TYR 14 20.945 16.468 17.748 100 1HB TYR 14 2HB TYR 14 19.768 18.480 16.877 101 2HB TYR 14 1HB TYR 14 21.336 19.176 16.748 102 HD1 TYR 14 HD1 TYR 14 23.084 17.245 15.628 103 HD2 TYR 14 HD2 TYR 14 18.849 17.443 15.108 104 HE1 TYR 14 HE1 TYR 14 23.207 15.955 13.461 105 HE2 TYR 14 HE2 TYR 14 18.974 16.193 13.011 106 HH TYR 14 HH TYR 14 22.124 15.247 11.682 107 H GLU 15 H GLU 15 22.675 19.393 19.324 108 HA GLU 15 HA GLU 15 25.207 18.333 18.470 109 1HB GLU 15 2HB GLU 15 24.985 20.033 20.891 110 2HB GLU 15 1HB GLU 15 26.269 19.881 19.670 111 1HG GLU 15 2HG GLU 15 24.279 20.782 18.069 112 2HG GLU 15 1HG GLU 15 23.653 21.491 19.583 113 H LYS 16 H LYS 16 23.468 18.090 21.584 114 HA LYS 16 HA LYS 16 25.618 16.567 22.887 115 1HB LYS 16 2HB LYS 16 24.009 18.081 23.998 116 2HB LYS 16 1HB LYS 16 22.853 16.689 23.955 117 1HG LYS 16 2HG LYS 16 24.131 15.397 25.385 118 2HG LYS 16 1HG LYS 16 25.660 16.308 25.005 119 1HD LYS 16 2HD LYS 16 24.186 18.297 25.919 120 2HD LYS 16 1HD LYS 16 23.262 17.110 26.717 121 1HE LYS 16 2HE LYS 16 25.657 16.304 27.725 122 2HE LYS 16 1HE LYS 16 26.189 17.902 27.196 123 1HZ LYS 16 1HZ LYS 16 23.967 18.535 28.503 124 2HZ LYS 16 3HZ LYS 16 24.367 17.080 29.263 125 3HZ LYS 16 2HZ LYS 16 25.469 18.336 29.247 126 H PHE 17 H PHE 17 22.752 15.756 20.987 127 HA PHE 17 HA PHE 17 22.257 13.112 21.691 128 1HB PHE 17 2HB PHE 17 20.559 13.940 20.396 129 2HB PHE 17 1HB PHE 17 21.708 14.904 19.431 130 HD1 PHE 17 HD2 PHE 17 20.450 11.340 19.774 131 HD2 PHE 17 HD1 PHE 17 22.396 14.356 17.394 132 HE1 PHE 17 HE2 PHE 17 20.395 9.877 17.821 133 HE2 PHE 17 HE1 PHE 17 22.328 12.860 15.395 134 HZ PHE 17 HZ PHE 17 21.315 10.588 15.601 135 H MET 18 H MET 18 24.520 14.435 19.423 136 HA MET 18 HA MET 18 25.450 11.912 18.257 137 1HB MET 18 2HB MET 18 25.984 14.824 18.220 138 2HB MET 18 1HB MET 18 27.404 13.784 17.853 139 1HG MET 18 2HG MET 18 25.801 12.520 16.239 140 2HG MET 18 1HG MET 18 24.667 13.818 16.475 141 1HE MET 18 1HE MET 18 25.297 12.964 13.916 142 2HE MET 18 3HE MET 18 24.572 14.587 13.797 143 3HE MET 18 2HE MET 18 26.042 14.188 12.844 144 H GLU 19 H GLU 19 26.549 14.434 20.436 145 HA GLU 19 HA GLU 19 29.075 13.743 21.094 146 1HB GLU 19 2HB GLU 19 27.133 15.497 22.064 147 2HB GLU 19 1HB GLU 19 27.343 14.452 23.435 148 1HG GLU 19 2HG GLU 19 29.035 15.795 24.044 149 2HG GLU 19 1HG GLU 19 29.941 14.725 22.982 150 H LYS 20 H LYS 20 26.142 12.812 22.905 151 HA LYS 20 HA LYS 20 27.487 11.472 24.961 152 1HB LYS 20 2HB LYS 20 24.644 11.392 24.115 153 2HB LYS 20 1HB LYS 20 25.338 10.548 25.544 154 1HG LYS 20 2HG LYS 20 26.396 12.788 26.163 155 2HG LYS 20 1HG LYS 20 25.173 13.488 24.990 156 1HD LYS 20 2HD LYS 20 23.608 13.394 26.597 157 2HD LYS 20 1HD LYS 20 23.711 11.681 26.392 158 1HE LYS 20 2HE LYS 20 24.811 11.368 28.389 159 2HE LYS 20 1HE LYS 20 25.703 12.956 28.324 160 1HZ LYS 20 3HZ LYS 20 22.784 12.563 28.755 161 2HZ LYS 20 2HZ LYS 20 23.931 12.801 29.971 162 3HZ LYS 20 1HZ LYS 20 23.604 14.021 28.845 163 H MET 21 H MET 21 26.287 10.066 21.799 164 HA MET 21 HA MET 21 26.454 7.358 22.722 165 1HB MET 21 2HB MET 21 26.537 6.590 20.463 166 2HB MET 21 1HB MET 21 25.190 7.776 20.767 167 1HG MET 21 2HG MET 21 26.011 8.990 18.980 168 2HG MET 21 1HG MET 21 27.462 9.222 19.935 169 1HE MET 21 1HE MET 21 29.521 7.644 19.979 170 2HE MET 21 3HE MET 21 28.637 6.054 19.978 171 3HE MET 21 2HE MET 21 29.837 6.393 18.724 172 H GLY 22 H GLY 22 28.694 9.731 21.960 173 1HA GLY 22 1HA GLY 22 30.983 9.178 23.061 174 2HA GLY 22 2HA GLY 22 31.064 7.959 21.785 175 H ILE 23 H ILE 23 29.462 10.570 20.433 176 HA ILE 23 HA ILE 23 31.653 11.305 18.706 177 HB ILE 23 HB ILE 23 29.131 12.725 19.414 178 1HG1 ILE 23 2HG1 ILE 23 28.126 11.697 17.691 179 2HG1 ILE 23 1HG1 ILE 23 29.507 11.782 16.595 180 1HG2 ILE 23 2HG2 ILE 23 31.237 13.464 17.301 181 2HG2 ILE 23 1HG2 ILE 23 29.591 14.103 17.271 182 3HG2 ILE 23 3HG2 ILE 23 30.659 14.503 18.638 183 1HD1 ILE 23 1HD1 ILE 23 30.599 9.849 18.029 184 2HD1 ILE 23 3HD1 ILE 23 29.041 9.755 18.796 185 3HD1 ILE 23 2HD1 ILE 23 29.200 9.430 17.032 186 H ASN 24 H ASN 24 32.906 13.172 18.560 187 HA ASN 24 HA ASN 24 33.285 14.588 21.170 188 1HB ASN 24 2HB ASN 24 35.650 14.601 19.674 189 2HB ASN 24 1HB ASN 24 35.234 14.312 21.394 190 1HD2 ASN 24 1HD2 ASN 24 36.300 12.973 18.462 191 2HD2 ASN 24 2HD2 ASN 24 36.197 11.273 18.886 192 H VAL 25 H VAL 25 34.771 16.474 20.827 193 HA VAL 25 HA VAL 25 33.233 18.344 19.247 194 HB VAL 25 HB VAL 25 33.919 20.066 20.046 195 1HG1 VAL 25 3HG1 VAL 25 33.389 17.720 21.961 196 2HG1 VAL 25 2HG1 VAL 25 33.114 19.384 22.471 197 3HG1 VAL 25 1HG1 VAL 25 32.220 18.677 21.083 198 1HG2 VAL 25 1HG2 VAL 25 36.444 19.238 20.644 199 2HG2 VAL 25 3HG2 VAL 25 35.607 20.153 21.950 200 3HG2 VAL 25 2HG2 VAL 25 35.700 18.385 22.013 201 H VAL 26 H VAL 26 36.240 16.667 18.454 202 HA VAL 26 HA VAL 26 37.352 18.660 16.792 203 HB VAL 26 HB VAL 26 38.896 17.209 16.020 204 1HG1 VAL 26 3HG1 VAL 26 38.630 17.673 18.583 205 2HG1 VAL 26 2HG1 VAL 26 38.334 15.908 18.656 206 3HG1 VAL 26 1HG1 VAL 26 39.856 16.554 17.971 207 1HG2 VAL 26 2HG2 VAL 26 36.628 15.294 16.102 208 2HG2 VAL 26 1HG2 VAL 26 38.310 14.978 15.541 209 3HG2 VAL 26 3HG2 VAL 26 37.817 14.737 17.248 210 H LYS 27 H LYS 27 34.746 16.495 16.523 211 HA LYS 27 HA LYS 27 34.351 16.632 13.618 212 1HB LYS 27 2HB LYS 27 33.692 14.636 14.568 213 2HB LYS 27 1HB LYS 27 32.871 15.411 15.898 214 1HG LYS 27 2HG LYS 27 31.765 16.154 13.164 215 2HG LYS 27 1HG LYS 27 31.698 14.512 13.496 216 1HD LYS 27 2HD LYS 27 29.633 15.066 14.217 217 2HD LYS 27 1HD LYS 27 30.467 15.080 15.737 218 1HE LYS 27 2HE LYS 27 30.679 17.815 14.827 219 2HE LYS 27 1HE LYS 27 29.139 17.292 14.201 220 1HZ LYS 27 2HZ LYS 27 29.876 16.870 17.055 221 2HZ LYS 27 1HZ LYS 27 29.214 18.318 16.470 222 3HZ LYS 27 3HZ LYS 27 28.357 16.888 16.351 223 H ARG 28 H ARG 28 33.515 18.363 16.508 224 HA ARG 28 HA ARG 28 31.186 19.662 15.937 225 1HB ARG 28 2HB ARG 28 32.422 19.839 18.044 226 2HB ARG 28 1HB ARG 28 33.438 21.101 17.282 227 1HG ARG 28 2HG ARG 28 31.732 22.588 16.993 228 2HG ARG 28 1HG ARG 28 30.442 21.388 17.005 229 1HD ARG 28 2HD ARG 28 30.706 21.088 19.413 230 2HD ARG 28 1HD ARG 28 32.192 21.839 19.456 231 HE ARG 28 HE ARG 28 30.320 23.830 18.589 232 1HH1 ARG 28 1HH1 ARG 28 31.126 22.000 21.504 233 2HH1 ARG 28 2HH1 ARG 28 30.520 23.226 22.580 234 1HH2 ARG 28 2HH2 ARG 28 29.525 25.404 20.090 235 2HH2 ARG 28 1HH2 ARG 28 29.629 25.144 21.787 236 H LYS 29 H LYS 29 34.302 20.102 14.450 237 HA LYS 29 HA LYS 29 34.070 22.759 13.420 238 1HB LYS 29 2HB LYS 29 35.278 20.439 12.006 239 2HB LYS 29 1HB LYS 29 35.516 22.184 11.681 240 1HG LYS 29 2HG LYS 29 36.879 20.434 13.552 241 2HG LYS 29 1HG LYS 29 37.299 22.070 13.028 242 1HD LYS 29 2HD LYS 29 35.474 22.852 14.798 243 2HD LYS 29 1HD LYS 29 35.601 21.211 15.364 244 1HE LYS 29 2HE LYS 29 37.931 23.231 15.190 245 2HE LYS 29 1HE LYS 29 37.101 22.664 16.647 246 1HZ LYS 29 2HZ LYS 29 38.027 20.438 15.286 247 2HZ LYS 29 1HZ LYS 29 39.299 21.568 15.488 248 3HZ LYS 29 3HZ LYS 29 38.462 21.006 16.809 249 H LEU 30 H LEU 30 31.854 23.279 12.604 250 HA LEU 30 HA LEU 30 30.127 23.095 11.080 251 1HB LEU 30 2HB LEU 30 31.340 20.791 9.606 252 2HB LEU 30 1HB LEU 30 30.349 22.117 8.977 253 HG LEU 30 HG LEU 30 33.326 22.135 9.807 254 1HD1 LEU 30 3HD1 LEU 30 31.871 22.195 7.131 255 2HD1 LEU 30 2HD1 LEU 30 33.516 22.855 7.317 256 3HD1 LEU 30 1HD1 LEU 30 33.226 21.163 7.660 257 1HD2 LEU 30 3HD2 LEU 30 31.426 24.389 9.618 258 2HD2 LEU 30 2HD2 LEU 30 33.157 24.457 10.063 259 3HD2 LEU 30 1HD2 LEU 30 32.636 24.551 8.371 260 H GLY 31 H GLY 31 29.804 22.127 13.447 261 1HA GLY 31 1HA GLY 31 28.779 19.356 13.196 262 2HA GLY 31 2HA GLY 31 29.388 20.068 14.695 263 H ALA 32 H ALA 32 27.316 21.762 12.435 264 HA ALA 32 HA ALA 32 24.824 21.089 13.711 265 1HB ALA 32 1HB ALA 32 26.231 23.563 14.624 266 2HB ALA 32 3HB ALA 32 24.447 23.578 14.387 267 3HB ALA 32 2HB ALA 32 25.233 22.437 15.560 268 H HIS 33 H HIS 33 23.210 21.489 12.323 269 HA HIS 33 HA HIS 33 21.939 22.491 10.600 270 1HB HIS 33 2HB HIS 33 22.557 24.369 9.573 271 2HB HIS 33 1HB HIS 33 23.773 24.517 10.884 272 HD1 HIS 33 HD1 HIS 33 26.011 22.580 9.767 273 HD2 HIS 33 HD2 HIS 33 23.764 25.258 7.456 274 HE1 HIS 33 HE1 HIS 33 27.360 23.054 7.673 275 HE2 HIS 33 HE2 HIS 33 25.969 24.704 6.257 276 H ASP 34 H ASP 34 24.368 20.476 10.820 277 HA ASP 34 HA ASP 34 25.109 19.699 8.129 278 1HB ASP 34 2HB ASP 34 25.288 17.740 10.179 279 2HB ASP 34 1HB ASP 34 26.409 18.219 8.892 280 H ASN 35 H ASN 35 24.937 17.334 7.569 281 HA ASN 35 HA ASN 35 23.763 15.474 6.898 282 1HB ASN 35 2HB ASN 35 23.510 15.394 9.391 283 2HB ASN 35 1HB ASN 35 21.985 16.302 9.175 284 1HD2 ASN 35 2HD2 ASN 35 20.355 13.171 9.293 285 2HD2 ASN 35 1HD2 ASN 35 20.708 14.648 10.142 286 H LEU 36 H LEU 36 21.711 14.885 5.681 287 HA LEU 36 HA LEU 36 19.726 17.034 5.787 288 1HB LEU 36 2HB LEU 36 19.964 17.897 3.530 289 2HB LEU 36 1HB LEU 36 21.201 18.356 4.595 290 HG LEU 36 HG LEU 36 21.685 15.787 3.088 291 1HD1 LEU 36 1HD1 LEU 36 20.594 17.887 1.591 292 2HD1 LEU 36 3HD1 LEU 36 22.357 18.101 1.362 293 3HD1 LEU 36 2HD1 LEU 36 21.604 16.551 0.951 294 1HD2 LEU 36 3HD2 LEU 36 23.087 18.427 3.863 295 2HD2 LEU 36 2HD2 LEU 36 23.399 16.882 4.604 296 3HD2 LEU 36 1HD2 LEU 36 23.947 17.161 2.909 297 H LYS 37 H LYS 37 19.730 16.264 2.496 298 HA LYS 37 HA LYS 37 17.274 15.131 2.833 299 1HB LYS 37 2HB LYS 37 18.586 16.075 0.609 300 2HB LYS 37 1HB LYS 37 18.563 14.340 0.261 301 1HG LYS 37 2HG LYS 37 16.050 14.441 0.802 302 2HG LYS 37 1HG LYS 37 16.267 16.196 0.674 303 1HD LYS 37 2HD LYS 37 16.929 13.960 -1.301 304 2HD LYS 37 1HD LYS 37 15.670 15.132 -1.574 305 1HE LYS 37 2HE LYS 37 17.657 16.942 -1.487 306 2HE LYS 37 1HE LYS 37 18.746 15.600 -1.591 307 1HZ LYS 37 2HZ LYS 37 17.505 14.834 -3.560 308 2HZ LYS 37 1HZ LYS 37 16.778 16.388 -3.581 309 3HZ LYS 37 3HZ LYS 37 18.432 16.267 -3.739 310 H LEU 38 H LEU 38 17.381 13.679 4.377 311 HA LEU 38 HA LEU 38 18.610 11.134 4.437 312 1HB LEU 38 2HB LEU 38 16.688 12.182 6.077 313 2HB LEU 38 1HB LEU 38 15.671 11.858 4.788 314 HG LEU 38 HG LEU 38 15.554 10.201 6.706 315 1HD1 LEU 38 1HD1 LEU 38 15.544 9.377 3.988 316 2HD1 LEU 38 3HD1 LEU 38 16.676 8.272 4.810 317 3HD1 LEU 38 2HD1 LEU 38 15.057 8.461 5.432 318 1HD2 LEU 38 3HD2 LEU 38 18.498 9.707 5.713 319 2HD2 LEU 38 2HD2 LEU 38 17.966 10.150 7.364 320 3HD2 LEU 38 1HD2 LEU 38 17.594 8.547 6.665 321 H THR 39 H THR 39 15.969 12.693 2.867 322 HA THR 39 HA THR 39 14.503 12.335 1.306 323 HB THR 39 HB THR 39 16.562 10.527 0.037 324 HG1 THR 39 1HG THR 39 17.720 12.505 -0.385 325 1HG2 THR 39 1HG2 THR 39 14.331 11.426 -1.332 326 2HG2 THR 39 3HG2 THR 39 15.268 12.963 -1.399 327 3HG2 THR 39 2HG2 THR 39 15.912 11.522 -2.127 328 H ILE 40 H ILE 40 12.715 10.716 1.459 329 HA ILE 40 HA ILE 40 13.578 7.805 1.618 330 HB ILE 40 HB ILE 40 11.219 8.999 2.933 331 1HG1 ILE 40 2HG1 ILE 40 13.746 7.859 4.221 332 2HG1 ILE 40 1HG1 ILE 40 13.696 9.529 3.727 333 1HG2 ILE 40 2HG2 ILE 40 12.184 6.166 2.556 334 2HG2 ILE 40 1HG2 ILE 40 11.403 6.589 4.085 335 3HG2 ILE 40 3HG2 ILE 40 10.577 6.831 2.506 336 1HD1 ILE 40 2HD1 ILE 40 11.482 9.701 5.156 337 2HD1 ILE 40 1HD1 ILE 40 12.201 8.352 6.106 338 3HD1 ILE 40 3HD1 ILE 40 13.054 9.901 5.897 339 H THR 41 H THR 41 12.776 6.499 -0.020 340 HA THR 41 HA THR 41 10.502 7.529 -1.586 341 HB THR 41 HB THR 41 10.767 5.429 -2.895 342 HG1 THR 41 1HG THR 41 13.190 5.389 -1.517 343 1HG2 THR 41 1HG2 THR 41 12.857 7.694 -2.782 344 2HG2 THR 41 3HG2 THR 41 12.872 6.510 -4.088 345 3HG2 THR 41 2HG2 THR 41 11.415 7.530 -3.824 346 H GLN 42 H GLN 42 11.462 4.362 -0.418 347 HA GLN 42 HA GLN 42 10.348 2.924 0.971 348 1HB GLN 42 2HB GLN 42 8.525 4.857 1.336 349 2HB GLN 42 1HB GLN 42 7.695 4.099 -0.039 350 1HG GLN 42 2HG GLN 42 6.662 2.729 1.333 351 2HG GLN 42 1HG GLN 42 8.149 1.946 1.736 352 1HE2 GLN 42 2HE2 GLN 42 8.523 4.494 4.553 353 2HE2 GLN 42 1HE2 GLN 42 9.368 4.251 3.052 354 H GLU 43 H GLU 43 10.067 0.860 0.244 355 HA GLU 43 HA GLU 43 8.900 0.346 -2.423 356 1HB GLU 43 2HB GLU 43 11.675 0.698 -1.866 357 2HB GLU 43 1HB GLU 43 11.330 -0.962 -2.440 358 1HG GLU 43 2HG GLU 43 9.866 0.866 -4.088 359 2HG GLU 43 1HG GLU 43 11.649 1.330 -4.057 360 H GLY 44 H GLY 44 7.381 -0.814 -1.420 361 1HA GLY 44 1HA GLY 44 6.337 -2.570 -0.454 362 2HA GLY 44 2HA GLY 44 7.834 -3.544 -0.787 363 H ASN 45 H ASN 45 9.613 -3.287 0.612 364 HA ASN 45 HA ASN 45 8.828 -2.515 3.363 365 1HB ASN 45 2HB ASN 45 10.969 -4.579 2.605 366 2HB ASN 45 1HB ASN 45 10.217 -4.397 4.205 367 1HD2 ASN 45 2HD2 ASN 45 7.085 -5.884 3.231 368 2HD2 ASN 45 1HD2 ASN 45 7.680 -4.404 3.947 369 H LYS 46 H LYS 46 11.897 -3.220 1.651 370 HA LYS 46 HA LYS 46 13.519 -1.318 2.914 371 1HB LYS 46 2HB LYS 46 14.885 -2.304 1.470 372 2HB LYS 46 1HB LYS 46 13.513 -2.823 0.439 373 1HG LYS 46 2HG LYS 46 15.056 -0.175 0.198 374 2HG LYS 46 1HG LYS 46 15.237 -1.591 -0.784 375 1HD LYS 46 2HD LYS 46 12.463 -0.969 -0.877 376 2HD LYS 46 1HD LYS 46 13.427 0.492 -1.218 377 1HE LYS 46 2HE LYS 46 14.624 -1.765 -2.583 378 2HE LYS 46 1HE LYS 46 12.970 -1.734 -3.057 379 1HZ LYS 46 1HZ LYS 46 14.748 0.679 -3.234 380 2HZ LYS 46 3HZ LYS 46 14.641 -0.539 -4.424 381 3HZ LYS 46 2HZ LYS 46 13.282 0.339 -4.044 382 H PHE 47 H PHE 47 14.447 0.548 1.941 383 HA PHE 47 HA PHE 47 12.644 1.924 0.080 384 1HB PHE 47 2HB PHE 47 12.164 3.822 1.425 385 2HB PHE 47 1HB PHE 47 11.633 2.339 2.256 386 HD1 PHE 47 HD2 PHE 47 14.890 2.038 3.093 387 HD2 PHE 47 HD1 PHE 47 11.670 4.686 3.846 388 HE1 PHE 47 HE2 PHE 47 15.956 2.635 5.198 389 HE2 PHE 47 HE1 PHE 47 12.646 5.347 5.954 390 HZ PHE 47 HZ PHE 47 14.887 4.298 6.690 391 H THR 48 H THR 48 13.791 2.648 -1.359 392 HA THR 48 HA THR 48 16.553 3.187 -1.362 393 HB THR 48 HB THR 48 14.295 4.098 -3.227 394 HG1 THR 48 1HG THR 48 15.590 2.596 -4.561 395 1HG2 THR 48 3HG2 THR 48 16.647 5.578 -3.079 396 2HG2 THR 48 2HG2 THR 48 17.142 4.276 -4.172 397 3HG2 THR 48 1HG2 THR 48 15.796 5.348 -4.596 398 H VAL 49 H VAL 49 17.073 4.362 0.271 399 HA VAL 49 HA VAL 49 15.820 7.077 0.738 400 HB VAL 49 HB VAL 49 16.799 4.872 2.361 401 1HG1 VAL 49 3HG1 VAL 49 18.041 7.641 2.862 402 2HG1 VAL 49 2HG1 VAL 49 17.993 6.295 4.054 403 3HG1 VAL 49 1HG1 VAL 49 18.897 6.106 2.560 404 1HG2 VAL 49 2HG2 VAL 49 14.574 5.982 2.619 405 2HG2 VAL 49 1HG2 VAL 49 15.488 6.096 4.123 406 3HG2 VAL 49 3HG2 VAL 49 15.323 7.510 3.057 407 H LYS 50 H LYS 50 17.162 8.737 0.501 408 HA LYS 50 HA LYS 50 19.851 8.328 -0.762 409 1HB LYS 50 2HB LYS 50 17.945 10.095 -1.192 410 2HB LYS 50 1HB LYS 50 18.572 10.920 0.220 411 1HG LYS 50 2HG LYS 50 20.858 11.036 -0.999 412 2HG LYS 50 1HG LYS 50 20.075 10.246 -2.391 413 1HD LYS 50 2HD LYS 50 18.328 12.143 -2.155 414 2HD LYS 50 1HD LYS 50 19.710 13.003 -1.327 415 1HE LYS 50 2HE LYS 50 20.194 11.434 -3.896 416 2HE LYS 50 1HE LYS 50 19.363 13.044 -3.975 417 1HZ LYS 50 2HZ LYS 50 21.656 12.993 -2.299 418 2HZ LYS 50 1HZ LYS 50 22.011 12.623 -3.921 419 3HZ LYS 50 3HZ LYS 50 21.214 14.051 -3.555 420 H GLU 51 H GLU 51 20.198 11.077 0.795 421 HA GLU 51 HA GLU 51 20.322 11.492 3.011 422 1HB GLU 51 2HB GLU 51 20.745 9.010 3.809 423 2HB GLU 51 1HB GLU 51 22.295 9.055 2.962 424 1HG GLU 51 2HG GLU 51 21.898 9.503 5.563 425 2HG GLU 51 1HG GLU 51 23.265 10.270 4.682 426 H SER 52 H SER 52 21.243 12.815 0.977 427 HA SER 52 HA SER 52 24.235 12.514 0.832 428 1HB SER 52 2HB SER 52 22.258 14.408 -0.510 429 2HB SER 52 1HB SER 52 24.044 14.513 -0.677 430 HG SER 52 HG SER 52 23.679 13.083 -2.230 431 H SER 53 H SER 53 23.979 12.705 3.175 432 HA SER 53 HA SER 53 23.275 14.959 4.613 433 1HB SER 53 2HB SER 53 24.995 14.299 6.203 434 2HB SER 53 1HB SER 53 23.876 12.984 5.815 435 HG SER 53 HG SER 53 25.612 11.945 5.274 436 H ASN 54 H ASN 54 25.207 16.207 5.920 437 HA ASN 54 HA ASN 54 26.068 18.092 4.075 438 1HB ASN 54 2HB ASN 54 25.832 18.514 6.366 439 2HB ASN 54 1HB ASN 54 27.345 17.638 6.780 440 1HD2 ASN 54 2HD2 ASN 54 28.813 20.900 6.589 441 2HD2 ASN 54 1HD2 ASN 54 28.383 19.528 7.595 442 H PHE 55 H PHE 55 27.394 14.964 3.780 443 HA PHE 55 HA PHE 55 29.827 16.122 2.681 444 1HB PHE 55 2HB PHE 55 30.291 13.800 4.492 445 2HB PHE 55 1HB PHE 55 31.342 15.176 4.059 446 HD1 PHE 55 HD1 PHE 55 28.616 13.968 6.310 447 HD2 PHE 55 HD2 PHE 55 31.280 17.233 5.351 448 HE1 PHE 55 HE1 PHE 55 28.016 15.049 8.470 449 HE2 PHE 55 HE2 PHE 55 30.657 18.315 7.546 450 HZ PHE 55 HZ PHE 55 29.039 17.191 9.049 451 H ARG 56 H ARG 56 28.230 13.219 3.779 452 HA ARG 56 HA ARG 56 29.595 11.697 1.626 453 1HB ARG 56 2HB ARG 56 29.351 10.758 3.947 454 2HB ARG 56 1HB ARG 56 27.581 10.817 3.744 455 1HG ARG 56 2HG ARG 56 27.540 8.950 2.454 456 2HG ARG 56 1HG ARG 56 28.917 9.432 1.482 457 1HD ARG 56 2HD ARG 56 29.402 7.345 2.825 458 2HD ARG 56 1HD ARG 56 30.465 8.688 3.255 459 HE ARG 56 HE ARG 56 27.954 8.147 4.789 460 1HH1 ARG 56 1HH1 ARG 56 31.594 8.403 4.972 461 2HH1 ARG 56 2HH1 ARG 56 31.446 8.296 6.703 462 1HH2 ARG 56 1HH2 ARG 56 28.045 8.033 7.022 463 2HH2 ARG 56 2HH2 ARG 56 29.575 8.102 7.798 464 H ASN 57 H ASN 57 28.576 12.835 0.040 465 HA ASN 57 HA ASN 57 25.762 12.855 -0.443 466 1HB ASN 57 2HB ASN 57 26.651 14.366 -1.892 467 2HB ASN 57 1HB ASN 57 28.272 13.538 -1.843 468 1HD2 ASN 57 2HD2 ASN 57 27.840 12.166 -5.004 469 2HD2 ASN 57 1HD2 ASN 57 28.859 12.705 -3.694 470 H ILE 58 H ILE 58 24.693 11.012 -0.499 471 HA ILE 58 HA ILE 58 25.357 8.894 -2.366 472 HB ILE 58 HB ILE 58 26.848 8.759 -0.121 473 1HG1 ILE 58 2HG1 ILE 58 26.486 6.087 -0.593 474 2HG1 ILE 58 1HG1 ILE 58 25.871 6.851 -2.101 475 1HG2 ILE 58 3HG2 ILE 58 24.971 8.568 1.440 476 2HG2 ILE 58 2HG2 ILE 58 24.383 7.086 0.601 477 3HG2 ILE 58 1HG2 ILE 58 25.942 7.091 1.377 478 1HD1 ILE 58 2HD1 ILE 58 28.504 7.900 -0.980 479 2HD1 ILE 58 1HD1 ILE 58 28.510 6.247 -1.617 480 3HD1 ILE 58 3HD1 ILE 58 28.026 7.602 -2.655 481 H ASP 59 H ASP 59 23.975 6.970 -1.897 482 HA ASP 59 HA ASP 59 21.588 7.683 -0.292 483 1HB ASP 59 2HB ASP 59 20.296 6.350 -2.181 484 2HB ASP 59 1HB ASP 59 20.651 8.026 -2.527 485 H VAL 60 H VAL 60 20.553 5.797 0.588 486 HA VAL 60 HA VAL 60 22.121 3.338 0.066 487 HB VAL 60 HB VAL 60 21.461 3.294 2.773 488 1HG1 VAL 60 1HG1 VAL 60 23.663 2.684 1.093 489 2HG1 VAL 60 3HG1 VAL 60 24.323 3.877 2.238 490 3HG1 VAL 60 2HG1 VAL 60 23.576 2.424 2.860 491 1HG2 VAL 60 1HG2 VAL 60 23.035 5.855 1.995 492 2HG2 VAL 60 3HG2 VAL 60 21.457 5.808 2.825 493 3HG2 VAL 60 2HG2 VAL 60 22.946 5.202 3.629 494 H VAL 61 H VAL 61 20.887 1.596 -0.152 495 HA VAL 61 HA VAL 61 17.959 1.834 0.522 496 HB VAL 61 HB VAL 61 19.266 0.014 -1.486 497 1HG1 VAL 61 1HG1 VAL 61 16.832 -0.217 -0.493 498 2HG1 VAL 61 3HG1 VAL 61 16.435 0.985 -1.763 499 3HG1 VAL 61 2HG1 VAL 61 17.226 -0.552 -2.191 500 1HG2 VAL 61 3HG2 VAL 61 18.816 2.974 -1.629 501 2HG2 VAL 61 2HG2 VAL 61 19.698 1.917 -2.768 502 3HG2 VAL 61 1HG2 VAL 61 17.953 2.088 -2.912 503 H PHE 62 H PHE 62 17.237 0.445 2.088 504 HA PHE 62 HA PHE 62 18.405 -2.261 2.258 505 1HB PHE 62 2HB PHE 62 18.550 -1.874 4.790 506 2HB PHE 62 1HB PHE 62 19.912 -1.466 3.767 507 HD1 PHE 62 HD1 PHE 62 20.315 1.073 3.268 508 HD2 PHE 62 HD2 PHE 62 17.395 -0.238 6.079 509 HE1 PHE 62 HE1 PHE 62 20.261 3.346 4.259 510 HE2 PHE 62 HE2 PHE 62 17.331 2.013 7.085 511 HZ PHE 62 HZ PHE 62 18.742 3.827 6.200 512 H GLU 63 H GLU 63 16.957 -3.585 2.763 513 HA GLU 63 HA GLU 63 14.144 -3.195 3.048 514 1HB GLU 63 2HB GLU 63 15.686 -5.600 3.935 515 2HB GLU 63 1HB GLU 63 13.906 -5.457 3.638 516 1HG GLU 63 2HG GLU 63 14.717 -4.506 1.238 517 2HG GLU 63 1HG GLU 63 16.188 -5.308 1.617 518 H LEU 64 H LEU 64 14.229 -1.322 4.638 519 HA LEU 64 HA LEU 64 13.808 -0.585 6.725 520 1HB LEU 64 2HB LEU 64 12.865 -3.482 6.822 521 2HB LEU 64 1HB LEU 64 12.873 -2.518 8.267 522 HG LEU 64 HG LEU 64 11.665 -0.767 6.585 523 1HD1 LEU 64 1HD1 LEU 64 11.760 -2.597 4.793 524 2HD1 LEU 64 3HD1 LEU 64 10.725 -3.583 5.827 525 3HD1 LEU 64 2HD1 LEU 64 10.062 -2.115 5.100 526 1HD2 LEU 64 2HD2 LEU 64 10.691 -1.731 8.863 527 2HD2 LEU 64 1HD2 LEU 64 9.442 -1.559 7.575 528 3HD2 LEU 64 3HD2 LEU 64 10.162 -3.141 7.984 529 H GLY 65 H GLY 65 14.578 -3.781 8.047 530 1HA GLY 65 1HA GLY 65 16.896 -2.448 9.382 531 2HA GLY 65 2HA GLY 65 15.855 -3.591 10.103 532 H VAL 66 H VAL 66 18.695 -3.163 8.146 533 HA VAL 66 HA VAL 66 19.002 -6.098 7.823 534 HB VAL 66 HB VAL 66 18.486 -4.726 5.751 535 1HG1 VAL 66 3HG1 VAL 66 21.262 -3.625 6.237 536 2HG1 VAL 66 2HG1 VAL 66 20.365 -3.394 4.740 537 3HG1 VAL 66 1HG1 VAL 66 19.720 -2.709 6.233 538 1HG2 VAL 66 3HG2 VAL 66 20.087 -6.949 5.940 539 2HG2 VAL 66 2HG2 VAL 66 19.789 -6.107 4.391 540 3HG2 VAL 66 1HG2 VAL 66 21.288 -5.796 5.261 541 H ASP 67 H ASP 67 19.866 -4.014 9.849 542 HA ASP 67 HA ASP 67 21.623 -3.683 11.240 543 1HB ASP 67 2HB ASP 67 23.481 -5.555 10.774 544 2HB ASP 67 1HB ASP 67 22.194 -5.474 12.004 545 H PHE 68 H PHE 68 23.855 -2.925 11.482 546 HA PHE 68 HA PHE 68 25.131 -2.123 8.877 547 1HB PHE 68 2HB PHE 68 24.188 -0.101 10.862 548 2HB PHE 68 1HB PHE 68 25.399 0.195 9.647 549 HD1 PHE 68 HD1 PHE 68 24.608 -0.560 7.184 550 HD2 PHE 68 HD2 PHE 68 21.852 0.233 10.364 551 HE1 PHE 68 HE1 PHE 68 22.812 -0.209 5.523 552 HE2 PHE 68 HE2 PHE 68 20.046 0.587 8.739 553 HZ PHE 68 HZ PHE 68 20.544 0.363 6.295 554 H ALA 69 H ALA 69 25.590 -0.750 12.007 555 HA ALA 69 HA ALA 69 27.214 -0.905 13.640 556 1HB ALA 69 3HB ALA 69 27.392 -3.415 12.966 557 2HB ALA 69 2HB ALA 69 28.697 -2.907 11.877 558 3HB ALA 69 1HB ALA 69 28.869 -2.615 13.646 559 H TYR 70 H TYR 70 26.883 0.926 11.785 560 HA TYR 70 HA TYR 70 29.711 1.772 11.251 561 1HB TYR 70 2HB TYR 70 29.264 2.188 9.085 562 2HB TYR 70 1HB TYR 70 27.825 1.130 9.316 563 HD1 TYR 70 HD1 TYR 70 28.973 4.687 9.241 564 HD2 TYR 70 HD2 TYR 70 25.544 2.183 9.076 565 HE1 TYR 70 HE1 TYR 70 27.606 6.635 8.599 566 HE2 TYR 70 HE2 TYR 70 24.139 4.111 8.435 567 HH TYR 70 HH TYR 70 24.274 6.620 8.770 568 H SER 71 H SER 71 30.201 3.525 12.262 569 HA SER 71 HA SER 71 28.542 4.753 14.102 570 1HB SER 71 2HB SER 71 30.239 6.125 14.531 571 2HB SER 71 1HB SER 71 31.159 5.137 13.390 572 HG SER 71 HG SER 71 31.387 7.014 12.501 573 H LEU 72 H LEU 72 27.140 6.192 14.149 574 HA LEU 72 HA LEU 72 25.699 7.160 11.840 575 1HB LEU 72 2HB LEU 72 24.891 6.750 14.344 576 2HB LEU 72 1HB LEU 72 25.906 8.201 14.728 577 HG LEU 72 HG LEU 72 23.721 8.856 14.789 578 1HD1 LEU 72 1HD1 LEU 72 24.841 9.794 12.063 579 2HD1 LEU 72 3HD1 LEU 72 23.486 10.549 12.875 580 3HD1 LEU 72 2HD1 LEU 72 25.097 10.572 13.634 581 1HD2 LEU 72 1HD2 LEU 72 23.338 6.942 12.555 582 2HD2 LEU 72 3HD2 LEU 72 22.093 7.694 13.516 583 3HD2 LEU 72 2HD2 LEU 72 22.644 8.510 12.079 584 H ALA 73 H ALA 73 27.259 8.069 10.619 585 HA ALA 73 HA ALA 73 28.864 9.565 9.837 586 1HB ALA 73 2HB ALA 73 26.505 11.160 10.681 587 2HB ALA 73 1HB ALA 73 27.946 11.832 9.824 588 3HB ALA 73 3HB ALA 73 26.982 10.490 9.092 589 H ASP 74 H ASP 74 30.260 8.800 11.663 590 HA ASP 74 HA ASP 74 32.190 9.644 12.669 591 1HB ASP 74 2HB ASP 74 32.806 11.407 13.204 592 2HB ASP 74 1HB ASP 74 31.316 12.048 12.429 593 H GLY 75 H GLY 75 32.892 9.135 14.712 594 1HA GLY 75 1HA GLY 75 32.368 9.027 17.177 595 2HA GLY 75 2HA GLY 75 30.821 8.373 16.763 596 H THR 76 H THR 76 30.649 6.112 16.725 597 HA THR 76 HA THR 76 33.163 4.550 16.228 598 HB THR 76 HB THR 76 32.702 5.097 18.671 599 HG1 THR 76 1HG THR 76 33.250 2.635 17.515 600 1HG2 THR 76 1HG2 THR 76 30.622 2.889 18.145 601 2HG2 THR 76 3HG2 THR 76 31.494 3.010 19.705 602 3HG2 THR 76 2HG2 THR 76 30.471 4.345 19.183 603 H GLU 77 H GLU 77 29.497 4.549 16.629 604 HA GLU 77 HA GLU 77 29.304 2.671 14.358 605 1HB GLU 77 2HB GLU 77 29.490 1.678 17.206 606 2HB GLU 77 1HB GLU 77 28.316 0.961 16.194 607 1HG GLU 77 2HG GLU 77 29.822 -0.516 15.280 608 2HG GLU 77 1HG GLU 77 30.635 0.856 14.566 609 H LEU 78 H LEU 78 27.211 1.212 14.690 610 HA LEU 78 HA LEU 78 24.991 1.724 16.254 611 1HB LEU 78 2HB LEU 78 25.648 3.884 14.359 612 2HB LEU 78 1HB LEU 78 24.476 2.983 13.465 613 HG LEU 78 HG LEU 78 24.241 4.692 15.866 614 1HD1 LEU 78 1HD1 LEU 78 23.401 4.692 13.162 615 2HD1 LEU 78 3HD1 LEU 78 21.889 4.608 14.023 616 3HD1 LEU 78 2HD1 LEU 78 23.008 5.953 14.387 617 1HD2 LEU 78 3HD2 LEU 78 22.560 2.227 15.278 618 2HD2 LEU 78 2HD2 LEU 78 22.844 3.029 16.866 619 3HD2 LEU 78 1HD2 LEU 78 21.589 3.605 15.709 620 H THR 79 H THR 79 25.340 -0.351 15.996 621 HA THR 79 HA THR 79 25.092 -1.888 13.557 622 HB THR 79 HB THR 79 24.871 -2.481 16.409 623 HG1 THR 79 1HG THR 79 26.281 -4.138 14.877 624 1HG2 THR 79 2HG2 THR 79 23.794 -4.329 14.217 625 2HG2 THR 79 1HG2 THR 79 24.514 -4.978 15.731 626 3HG2 THR 79 3HG2 THR 79 23.064 -4.018 15.835 627 H GLY 80 H GLY 80 22.768 -2.173 16.197 628 1HA GLY 80 1HA GLY 80 20.475 -2.528 16.223 629 2HA GLY 80 2HA GLY 80 20.454 -0.923 15.369 630 H THR 81 H THR 81 19.600 -0.877 13.538 631 HA THR 81 HA THR 81 20.059 -2.481 11.335 632 HB THR 81 HB THR 81 17.433 -3.362 11.460 633 HG1 THR 81 1HG THR 81 17.249 -4.154 13.724 634 1HG2 THR 81 3HG2 THR 81 19.839 -4.931 11.831 635 2HG2 THR 81 2HG2 THR 81 18.683 -5.392 13.130 636 3HG2 THR 81 1HG2 THR 81 18.165 -5.481 11.470 637 H TRP 82 H TRP 82 17.555 -1.072 13.111 638 HA TRP 82 HA TRP 82 16.500 0.759 12.861 639 1HB TRP 82 2HB TRP 82 16.921 0.873 9.775 640 2HB TRP 82 1HB TRP 82 16.210 2.092 10.742 641 HD1 TRP 82 HD1 TRP 82 19.776 0.633 11.685 642 HE1 TRP 82 HE1 TRP 82 21.338 2.613 11.663 643 HE3 TRP 82 HE3 TRP 82 16.577 4.242 9.973 644 HZ2 TRP 82 HZ2 TRP 82 21.324 5.369 11.039 645 HZ3 TRP 82 HZ3 TRP 82 17.353 6.506 9.701 646 HH2 TRP 82 HH2 TRP 82 19.752 7.103 10.218 647 H THR 83 H THR 83 14.502 1.294 11.024 648 HA THR 83 HA THR 83 13.137 -0.489 9.446 649 HB THR 83 HB THR 83 11.433 -1.174 11.516 650 HG1 THR 83 1HG THR 83 12.473 -1.026 13.181 651 1HG2 THR 83 2HG2 THR 83 13.622 -2.901 10.183 652 2HG2 THR 83 1HG2 THR 83 12.436 -3.526 11.369 653 3HG2 THR 83 3HG2 THR 83 11.850 -2.865 9.870 654 H MET 84 H MET 84 10.626 -0.173 10.106 655 HA MET 84 HA MET 84 10.091 2.383 11.442 656 1HB MET 84 2HB MET 84 9.447 3.476 9.276 657 2HB MET 84 1HB MET 84 10.991 2.846 8.975 658 1HG MET 84 2HG MET 84 10.156 0.854 7.801 659 2HG MET 84 1HG MET 84 8.584 1.161 8.441 660 1HE MET 84 3HE MET 84 8.600 0.250 6.010 661 2HE MET 84 2HE MET 84 7.605 1.340 5.013 662 3HE MET 84 1HE MET 84 9.352 1.094 4.651 663 H GLU 85 H GLU 85 7.343 2.572 10.281 664 HA GLU 85 HA GLU 85 6.338 -0.164 10.383 665 1HB GLU 85 2HB GLU 85 6.968 0.584 12.821 666 2HB GLU 85 1HB GLU 85 5.526 1.657 12.614 667 1HG GLU 85 2HG GLU 85 4.987 -1.070 11.637 668 2HG GLU 85 1HG GLU 85 5.701 -1.232 13.180 669 H GLY 86 H GLY 86 6.203 2.097 8.653 670 1HA GLY 86 1HA GLY 86 4.492 2.996 7.347 671 2HA GLY 86 2HA GLY 86 3.258 2.303 8.551 672 H ASN 87 H ASN 87 3.631 3.332 10.861 673 HA ASN 87 HA ASN 87 3.302 6.177 10.451 674 1HB ASN 87 2HB ASN 87 2.942 5.778 13.015 675 2HB ASN 87 1HB ASN 87 1.934 6.465 11.632 676 1HD2 ASN 87 1HD2 ASN 87 0.242 3.326 11.018 677 2HD2 ASN 87 2HD2 ASN 87 0.628 4.912 10.449 678 H LYS 88 H LYS 88 6.153 4.361 11.019 679 HA LYS 88 HA LYS 88 7.711 6.682 11.437 680 1HB LYS 88 2HB LYS 88 8.519 6.265 13.707 681 2HB LYS 88 1HB LYS 88 6.971 6.915 13.762 682 1HG LYS 88 2HG LYS 88 6.030 4.446 14.097 683 2HG LYS 88 1HG LYS 88 7.755 4.083 14.438 684 1HD LYS 88 2HD LYS 88 6.669 6.563 15.625 685 2HD LYS 88 1HD LYS 88 6.077 5.062 16.365 686 1HE LYS 88 2HE LYS 88 8.687 4.411 16.380 687 2HE LYS 88 1HE LYS 88 8.939 6.108 15.996 688 1HZ LYS 88 1HZ LYS 88 7.178 5.438 18.271 689 2HZ LYS 88 3HZ LYS 88 8.860 5.305 18.465 690 3HZ LYS 88 2HZ LYS 88 8.148 6.761 17.984 691 H LEU 89 H LEU 89 9.575 6.356 11.088 692 HA LEU 89 HA LEU 89 10.956 3.832 10.559 693 1HB LEU 89 2HB LEU 89 11.459 6.783 10.516 694 2HB LEU 89 1HB LEU 89 12.658 5.909 11.341 695 HG LEU 89 HG LEU 89 11.830 5.082 8.526 696 1HD1 LEU 89 3HD1 LEU 89 13.884 7.194 9.199 697 2HD1 LEU 89 2HD1 LEU 89 13.621 6.520 7.566 698 3HD1 LEU 89 1HD1 LEU 89 12.335 7.404 8.342 699 1HD2 LEU 89 3HD2 LEU 89 14.283 4.769 10.421 700 2HD2 LEU 89 2HD2 LEU 89 13.637 3.493 9.330 701 3HD2 LEU 89 1HD2 LEU 89 14.593 4.803 8.668 702 H VAL 90 H VAL 90 13.134 3.796 11.710 703 HA VAL 90 HA VAL 90 13.190 4.372 14.501 704 HB VAL 90 HB VAL 90 13.583 1.486 14.073 705 1HG1 VAL 90 3HG1 VAL 90 13.200 3.274 16.286 706 2HG1 VAL 90 2HG1 VAL 90 11.822 2.187 16.327 707 3HG1 VAL 90 1HG1 VAL 90 13.463 1.520 16.374 708 1HG2 VAL 90 1HG2 VAL 90 11.249 1.998 12.910 709 2HG2 VAL 90 3HG2 VAL 90 11.286 0.748 14.133 710 3HG2 VAL 90 2HG2 VAL 90 10.658 2.356 14.573 711 H GLY 91 H GLY 91 15.175 5.126 14.268 712 1HA GLY 91 1HA GLY 91 17.148 4.365 12.424 713 2HA GLY 91 2HA GLY 91 17.299 5.459 13.794 714 H LYS 92 H LYS 92 16.047 3.146 15.304 715 HA LYS 92 HA LYS 92 16.748 1.800 16.939 716 1HB LYS 92 2HB LYS 92 17.515 0.317 14.401 717 2HB LYS 92 1HB LYS 92 17.765 -0.419 15.963 718 1HG LYS 92 2HG LYS 92 15.110 0.892 15.502 719 2HG LYS 92 1HG LYS 92 15.375 -0.720 14.935 720 1HD LYS 92 2HD LYS 92 16.572 -0.547 17.578 721 2HD LYS 92 1HD LYS 92 15.088 0.374 17.613 722 1HE LYS 92 2HE LYS 92 15.168 -2.537 16.547 723 2HE LYS 92 1HE LYS 92 14.612 -2.033 18.211 724 1HZ LYS 92 1HZ LYS 92 13.091 -0.513 16.878 725 2HZ LYS 92 3HZ LYS 92 13.398 -1.581 15.612 726 3HZ LYS 92 2HZ LYS 92 12.729 -2.135 17.046 727 H PHE 93 H PHE 93 19.204 -0.034 16.874 728 HA PHE 93 HA PHE 93 21.473 1.724 17.017 729 1HB PHE 93 2HB PHE 93 21.070 1.690 19.710 730 2HB PHE 93 1HB PHE 93 20.477 2.972 18.765 731 HD1 PHE 93 HD1 PHE 93 19.900 -0.560 19.794 732 HD2 PHE 93 HD2 PHE 93 17.867 3.160 19.185 733 HE1 PHE 93 HE1 PHE 93 17.918 -1.618 20.648 734 HE2 PHE 93 HE2 PHE 93 15.806 2.055 20.192 735 HZ PHE 93 HZ PHE 93 15.847 -0.311 20.854 736 H LYS 94 H LYS 94 22.559 1.381 19.003 737 HA LYS 94 HA LYS 94 23.145 0.457 20.917 738 1HB LYS 94 2HB LYS 94 22.464 -2.192 19.513 739 2HB LYS 94 1HB LYS 94 23.858 -2.068 20.843 740 1HG LYS 94 2HG LYS 94 22.496 -0.794 22.237 741 2HG LYS 94 1HG LYS 94 21.233 -0.675 21.145 742 1HD LYS 94 2HD LYS 94 20.576 -3.012 21.534 743 2HD LYS 94 1HD LYS 94 22.129 -3.373 22.246 744 1HE LYS 94 2HE LYS 94 20.966 -1.276 23.827 745 2HE LYS 94 1HE LYS 94 19.793 -2.664 23.680 746 1HZ LYS 94 2HZ LYS 94 21.771 -4.058 24.231 747 2HZ LYS 94 1HZ LYS 94 22.470 -2.619 24.795 748 3HZ LYS 94 3HZ LYS 94 20.995 -3.146 25.444 749 H ARG 95 H ARG 95 24.205 1.913 19.494 750 HA ARG 95 HA ARG 95 26.078 2.086 17.729 751 1HB ARG 95 2HB ARG 95 27.196 2.312 20.507 752 2HB ARG 95 1HB ARG 95 27.263 3.394 19.039 753 1HG ARG 95 2HG ARG 95 25.052 3.041 21.115 754 2HG ARG 95 1HG ARG 95 26.112 4.384 20.913 755 1HD ARG 95 2HD ARG 95 23.705 3.660 19.194 756 2HD ARG 95 1HD ARG 95 24.296 5.150 19.774 757 HE ARG 95 HE ARG 95 25.679 3.887 17.450 758 1HH1 ARG 95 2HH1 ARG 95 24.293 6.867 19.087 759 2HH1 ARG 95 1HH1 ARG 95 24.863 7.824 17.777 760 1HH2 ARG 95 1HH2 ARG 95 26.314 5.441 15.819 761 2HH2 ARG 95 2HH2 ARG 95 25.855 7.102 16.174 762 H VAL 96 H VAL 96 27.248 0.630 20.621 763 HA VAL 96 HA VAL 96 28.308 -1.753 20.344 764 HB VAL 96 HB VAL 96 29.466 0.113 18.287 765 1HG1 VAL 96 1HG1 VAL 96 31.136 -1.668 20.055 766 2HG1 VAL 96 3HG1 VAL 96 31.614 -1.173 18.389 767 3HG1 VAL 96 2HG1 VAL 96 31.386 0.044 19.634 768 1HG2 VAL 96 2HG2 VAL 96 28.156 -2.425 18.159 769 2HG2 VAL 96 1HG2 VAL 96 29.048 -1.598 16.845 770 3HG2 VAL 96 3HG2 VAL 96 29.895 -2.743 17.899 771 H ASP 97 H ASP 97 29.297 1.668 20.327 772 HA ASP 97 HA ASP 97 31.584 1.722 21.994 773 1HB ASP 97 2HB ASP 97 31.320 3.771 21.454 774 2HB ASP 97 1HB ASP 97 29.561 3.618 21.344 775 H ASN 98 H ASN 98 28.276 1.080 22.668 776 HA ASN 98 HA ASN 98 28.777 -0.318 25.081 777 1HB ASN 98 2HB ASN 98 29.276 1.541 26.133 778 2HB ASN 98 1HB ASN 98 28.031 2.442 25.362 779 1HD2 ASN 98 1HD2 ASN 98 26.371 2.449 28.416 780 2HD2 ASN 98 2HD2 ASN 98 27.389 3.259 27.269 781 H GLY 99 H GLY 99 26.482 1.521 23.168 782 1HA GLY 99 1HA GLY 99 24.604 0.444 22.118 783 2HA GLY 99 2HA GLY 99 24.219 -0.410 23.556 784 H LYS 100 H LYS 100 23.470 2.210 21.766 785 HA LYS 100 HA LYS 100 22.245 3.871 23.947 786 1HB LYS 100 2HB LYS 100 23.631 4.359 21.456 787 2HB LYS 100 1HB LYS 100 22.176 5.280 21.688 788 1HG LYS 100 2HG LYS 100 23.969 6.602 22.874 789 2HG LYS 100 1HG LYS 100 23.031 5.718 24.148 790 1HD LYS 100 2HD LYS 100 24.582 3.877 24.187 791 2HD LYS 100 1HD LYS 100 25.367 4.362 22.798 792 1HE LYS 100 2HE LYS 100 26.968 5.437 24.007 793 2HE LYS 100 1HE LYS 100 25.744 6.546 24.693 794 1HZ LYS 100 3HZ LYS 100 26.263 3.865 25.740 795 2HZ LYS 100 2HZ LYS 100 26.974 5.273 26.303 796 3HZ LYS 100 1HZ LYS 100 25.313 5.108 26.424 797 H GLU 101 H GLU 101 20.458 5.220 22.496 798 HA GLU 101 HA GLU 101 19.295 3.398 20.534 799 1HB GLU 101 2HB GLU 101 17.598 4.077 22.926 800 2HB GLU 101 1HB GLU 101 16.926 3.550 21.422 801 1HG GLU 101 2HG GLU 101 18.311 1.383 21.563 802 2HG GLU 101 1HG GLU 101 18.917 1.979 23.010 803 H LEU 102 H LEU 102 20.482 5.202 19.700 804 HA LEU 102 HA LEU 102 19.641 7.878 19.381 805 1HB LEU 102 2HB LEU 102 20.141 5.954 17.036 806 2HB LEU 102 1HB LEU 102 19.981 7.698 16.917 807 HG LEU 102 HG LEU 102 22.023 6.877 18.882 808 1HD1 LEU 102 3HD1 LEU 102 21.827 5.358 16.357 809 2HD1 LEU 102 2HD1 LEU 102 23.301 6.277 16.362 810 3HD1 LEU 102 1HD1 LEU 102 22.984 5.092 17.676 811 1HD2 LEU 102 1HD2 LEU 102 21.484 8.839 16.650 812 2HD2 LEU 102 3HD2 LEU 102 22.657 9.003 17.997 813 3HD2 LEU 102 2HD2 LEU 102 23.068 8.144 16.467 814 H ILE 103 H ILE 103 18.620 4.964 17.627 815 HA ILE 103 HA ILE 103 16.642 4.206 16.882 816 HB ILE 103 HB ILE 103 16.070 5.997 19.215 817 1HG1 ILE 103 2HG1 ILE 103 16.219 3.838 19.693 818 2HG1 ILE 103 1HG1 ILE 103 14.529 4.057 19.788 819 1HG2 ILE 103 2HG2 ILE 103 14.520 7.131 17.713 820 2HG2 ILE 103 1HG2 ILE 103 13.620 5.594 17.456 821 3HG2 ILE 103 3HG2 ILE 103 13.755 6.357 19.073 822 1HD1 ILE 103 1HD1 ILE 103 15.287 3.056 17.099 823 2HD1 ILE 103 3HD1 ILE 103 15.595 1.984 18.418 824 3HD1 ILE 103 2HD1 ILE 103 13.987 2.614 18.272 825 H ALA 104 H ALA 104 18.014 6.855 15.965 826 HA ALA 104 HA ALA 104 16.816 8.749 14.721 827 1HB ALA 104 1HB ALA 104 19.085 7.619 13.936 828 2HB ALA 104 3HB ALA 104 18.050 6.806 12.686 829 3HB ALA 104 2HB ALA 104 18.166 8.565 12.771 830 H VAL 105 H VAL 105 14.599 8.265 14.929 831 HA VAL 105 HA VAL 105 13.330 6.350 13.069 832 HB VAL 105 HB VAL 105 12.229 8.634 14.743 833 1HG1 VAL 105 2HG1 VAL 105 10.854 6.661 13.006 834 2HG1 VAL 105 1HG1 VAL 105 10.283 6.482 14.674 835 3HG1 VAL 105 3HG1 VAL 105 10.198 8.058 13.937 836 1HG2 VAL 105 3HG2 VAL 105 12.635 5.744 15.690 837 2HG2 VAL 105 2HG2 VAL 105 13.216 7.311 16.356 838 3HG2 VAL 105 1HG2 VAL 105 11.516 6.904 16.402 839 H ARG 106 H ARG 106 11.621 9.269 13.118 840 HA ARG 106 HA ARG 106 12.170 11.113 11.379 841 1HB ARG 106 2HB ARG 106 12.529 8.652 9.779 842 2HB ARG 106 1HB ARG 106 11.123 9.559 9.217 843 1HG ARG 106 2HG ARG 106 12.151 10.963 8.252 844 2HG ARG 106 1HG ARG 106 12.799 11.654 9.657 845 1HD ARG 106 2HD ARG 106 14.194 9.398 8.047 846 2HD ARG 106 1HD ARG 106 14.629 11.167 8.039 847 HE ARG 106 HE ARG 106 14.740 10.711 10.620 848 1HH1 ARG 106 1HH1 ARG 106 16.045 8.773 7.948 849 2HH1 ARG 106 2HH1 ARG 106 17.384 8.209 8.881 850 1HH2 ARG 106 1HH2 ARG 106 16.644 9.826 11.854 851 2HH2 ARG 106 2HH2 ARG 106 17.682 8.750 10.932 852 H GLU 107 H GLU 107 10.424 8.250 12.054 853 HA GLU 107 HA GLU 107 8.335 7.768 12.570 854 1HB GLU 107 2HB GLU 107 8.913 10.474 13.554 855 2HB GLU 107 1HB GLU 107 7.108 10.030 13.445 856 1HG GLU 107 2HG GLU 107 8.505 7.873 14.713 857 2HG GLU 107 1HG GLU 107 9.077 9.240 15.449 858 H ILE 108 H ILE 108 8.194 11.105 11.548 859 HA ILE 108 HA ILE 108 7.222 12.374 10.046 860 HB ILE 108 HB ILE 108 8.081 10.425 8.668 861 1HG1 ILE 108 2HG1 ILE 108 5.770 12.151 7.621 862 2HG1 ILE 108 1HG1 ILE 108 7.344 12.767 8.174 863 1HG2 ILE 108 3HG2 ILE 108 4.972 9.890 8.482 864 2HG2 ILE 108 2HG2 ILE 108 6.026 9.655 7.109 865 3HG2 ILE 108 1HG2 ILE 108 6.283 8.670 8.522 866 1HD1 ILE 108 3HD1 ILE 108 8.082 10.745 6.292 867 2HD1 ILE 108 2HD1 ILE 108 6.663 11.579 5.587 868 3HD1 ILE 108 1HD1 ILE 108 8.076 12.532 6.065 869 H SER 109 H SER 109 5.454 13.407 10.318 870 HA SER 109 HA SER 109 2.876 12.193 10.231 871 1HB SER 109 2HB SER 109 3.390 11.279 12.459 872 2HB SER 109 1HB SER 109 4.276 12.749 12.848 873 HG SER 109 HG SER 109 1.467 12.350 12.816 874 H GLY 110 H GLY 110 1.855 13.590 9.255 875 1HA GLY 110 1HA GLY 110 0.904 15.503 8.562 876 2HA GLY 110 2HA GLY 110 1.167 16.176 10.221 877 H ASN 111 H ASN 111 2.819 15.430 7.133 878 HA ASN 111 HA ASN 111 4.576 16.622 6.033 879 1HB ASN 111 2HB ASN 111 2.932 18.833 6.969 880 2HB ASN 111 1HB ASN 111 4.572 19.104 6.396 881 1HD2 ASN 111 1HD2 ASN 111 1.537 18.340 3.763 882 2HD2 ASN 111 2HD2 ASN 111 1.313 18.427 5.473 883 H GLU 112 H GLU 112 5.666 15.326 7.889 884 HA GLU 112 HA GLU 112 7.547 17.165 9.353 885 1HB GLU 112 2HB GLU 112 5.580 15.203 10.327 886 2HB GLU 112 1HB GLU 112 7.161 14.675 10.793 887 1HG GLU 112 2HG GLU 112 5.887 16.261 12.537 888 2HG GLU 112 1HG GLU 112 7.508 16.581 12.285 889 H LEU 113 H LEU 113 8.975 15.331 10.409 890 HA LEU 113 HA LEU 113 9.533 12.867 9.197 891 1HB LEU 113 2HB LEU 113 11.546 15.069 8.441 892 2HB LEU 113 1HB LEU 113 11.975 13.399 8.762 893 HG LEU 113 HG LEU 113 10.121 14.241 6.530 894 1HD1 LEU 113 2HD1 LEU 113 12.995 14.088 6.914 895 2HD1 LEU 113 1HD1 LEU 113 12.537 12.705 5.914 896 3HD1 LEU 113 3HD1 LEU 113 12.088 14.392 5.461 897 1HD2 LEU 113 3HD2 LEU 113 10.120 11.673 7.844 898 2HD2 LEU 113 2HD2 LEU 113 9.797 11.887 6.097 899 3HD2 LEU 113 1HD2 LEU 113 11.381 11.464 6.658 900 H ILE 114 H ILE 114 9.025 14.383 11.807 901 HA ILE 114 HA ILE 114 10.738 14.681 13.619 902 HB ILE 114 HB ILE 114 9.412 12.189 14.402 903 1HG1 ILE 114 2HG1 ILE 114 8.089 12.920 12.031 904 2HG1 ILE 114 1HG1 ILE 114 7.631 11.825 13.218 905 1HG2 ILE 114 2HG2 ILE 114 9.897 14.417 15.495 906 2HG2 ILE 114 1HG2 ILE 114 8.198 14.705 15.205 907 3HG2 ILE 114 3HG2 ILE 114 8.644 13.236 16.029 908 1HD1 ILE 114 2HD1 ILE 114 7.017 14.826 13.657 909 2HD1 ILE 114 1HD1 ILE 114 6.092 13.933 12.484 910 3HD1 ILE 114 3HD1 ILE 114 5.997 13.446 14.199 911 H GLN 115 H GLN 115 12.715 14.114 12.962 912 HA GLN 115 HA GLN 115 13.932 11.632 12.371 913 1HB GLN 115 2HB GLN 115 14.661 14.319 13.505 914 2HB GLN 115 1HB GLN 115 15.938 13.080 13.261 915 1HG GLN 115 2HG GLN 115 13.956 13.557 11.022 916 2HG GLN 115 1HG GLN 115 15.058 14.920 11.305 917 1HE2 GLN 115 2HE2 GLN 115 17.806 12.215 10.695 918 2HE2 GLN 115 1HE2 GLN 115 17.438 13.101 12.139 919 H THR 116 H THR 116 12.605 12.787 15.242 920 HA THR 116 HA THR 116 13.013 12.162 17.541 921 HB THR 116 HB THR 116 11.626 10.020 15.903 922 HG1 THR 116 1HG THR 116 10.042 11.361 16.001 923 1HG2 THR 116 1HG2 THR 116 12.164 10.410 18.911 924 2HG2 THR 116 3HG2 THR 116 10.414 10.339 18.500 925 3HG2 THR 116 2HG2 THR 116 11.518 9.008 18.106 926 H TYR 117 H TYR 117 15.563 11.827 17.072 927 HA TYR 117 HA TYR 117 15.870 8.914 17.613 928 1HB TYR 117 2HB TYR 117 18.451 10.193 18.029 929 2HB TYR 117 1HB TYR 117 18.071 9.098 16.897 930 HD1 TYR 117 HD2 TYR 117 17.890 12.804 17.192 931 HD2 TYR 117 HD1 TYR 117 18.553 9.553 14.591 932 HE1 TYR 117 HE2 TYR 117 18.585 14.366 15.403 933 HE2 TYR 117 HE1 TYR 117 19.243 11.035 12.793 934 HH TYR 117 HH TYR 117 19.659 13.078 12.178 935 H THR 118 H THR 118 15.556 8.401 19.497 936 HA THR 118 HA THR 118 16.125 10.208 21.743 937 HB THR 118 HB THR 118 14.551 7.702 21.859 938 HG1 THR 118 1HG THR 118 13.856 9.466 20.401 939 1HG2 THR 118 1HG2 THR 118 15.707 9.027 23.877 940 2HG2 THR 118 3HG2 THR 118 14.613 10.353 23.596 941 3HG2 THR 118 2HG2 THR 118 13.934 8.757 24.060 942 H TYR 119 H TYR 119 18.528 9.299 21.304 943 HA TYR 119 HA TYR 119 19.241 6.591 22.239 944 1HB TYR 119 2HB TYR 119 21.425 7.207 22.238 945 2HB TYR 119 1HB TYR 119 20.765 8.124 20.904 946 HD1 TYR 119 HD1 TYR 119 19.924 10.581 21.519 947 HD2 TYR 119 HD2 TYR 119 22.571 8.220 24.005 948 HE1 TYR 119 HE1 TYR 119 20.688 12.606 22.777 949 HE2 TYR 119 HE2 TYR 119 23.295 10.160 25.184 950 HH TYR 119 HH TYR 119 23.149 13.078 24.240 951 H GLU 120 H GLU 120 18.667 5.827 24.091 952 HA GLU 120 HA GLU 120 18.536 5.661 26.398 953 1HB GLU 120 2HB GLU 120 20.521 6.038 26.994 954 2HB GLU 120 1HB GLU 120 20.800 7.245 25.723 955 1HG GLU 120 2HG GLU 120 21.185 8.684 27.404 956 2HG GLU 120 1HG GLU 120 19.457 8.943 27.384 957 H GLY 121 H GLY 121 16.992 8.013 24.821 958 1HA GLY 121 1HA GLY 121 14.830 8.726 25.865 959 2HA GLY 121 2HA GLY 121 15.606 8.964 27.294 960 H VAL 122 H VAL 122 17.400 9.994 24.454 961 HA VAL 122 HA VAL 122 16.322 12.798 24.836 962 HB VAL 122 HB VAL 122 19.211 12.017 24.452 963 1HG1 VAL 122 1HG1 VAL 122 18.572 14.216 23.405 964 2HG1 VAL 122 3HG1 VAL 122 17.997 14.805 25.003 965 3HG1 VAL 122 2HG1 VAL 122 19.697 14.472 24.768 966 1HG2 VAL 122 1HG2 VAL 122 18.427 11.646 26.843 967 2HG2 VAL 122 3HG2 VAL 122 19.513 13.008 26.803 968 3HG2 VAL 122 2HG2 VAL 122 17.767 13.306 26.851 969 H GLU 123 H GLU 123 15.019 12.293 23.118 970 HA GLU 123 HA GLU 123 15.578 11.678 20.387 971 1HB GLU 123 2HB GLU 123 13.347 12.377 21.941 972 2HB GLU 123 1HB GLU 123 13.697 13.920 21.398 973 1HG GLU 123 2HG GLU 123 13.642 13.198 18.999 974 2HG GLU 123 1HG GLU 123 13.564 11.610 19.412 975 H ALA 124 H ALA 124 16.151 12.723 18.692 976 HA ALA 124 HA ALA 124 16.506 15.634 19.044 977 1HB ALA 124 3HB ALA 124 18.714 13.759 18.656 978 2HB ALA 124 2HB ALA 124 18.675 14.838 17.269 979 3HB ALA 124 1HB ALA 124 18.861 15.509 18.922 980 H LYS 125 H LYS 125 15.527 16.734 17.606 981 HA LYS 125 HA LYS 125 15.347 15.632 14.918 982 1HB LYS 125 2HB LYS 125 12.583 16.064 15.577 983 2HB LYS 125 1HB LYS 125 13.344 14.662 14.941 984 1HG LYS 125 2HG LYS 125 12.449 13.931 17.184 985 2HG LYS 125 1HG LYS 125 14.122 13.988 17.338 986 1HD LYS 125 2HD LYS 125 12.749 15.052 19.134 987 2HD LYS 125 1HD LYS 125 14.017 16.026 18.570 988 1HE LYS 125 2HE LYS 125 12.360 17.303 17.082 989 2HE LYS 125 1HE LYS 125 11.005 16.482 17.993 990 1HZ LYS 125 2HZ LYS 125 13.201 17.949 19.318 991 2HZ LYS 125 1HZ LYS 125 11.859 18.742 18.745 992 3HZ LYS 125 3HZ LYS 125 11.715 17.529 19.934 993 H ARG 126 H ARG 126 13.292 17.202 13.958 994 HA ARG 126 HA ARG 126 12.740 19.752 14.991 995 1HB ARG 126 2HB ARG 126 15.292 19.780 13.563 996 2HB ARG 126 1HB ARG 126 14.016 21.071 13.287 997 1HG ARG 126 2HG ARG 126 14.303 20.462 16.131 998 2HG ARG 126 1HG ARG 126 15.812 21.265 15.425 999 1HD ARG 126 2HD ARG 126 14.751 23.167 15.115 1000 2HD ARG 126 1HD ARG 126 13.250 22.321 14.499 1001 HE ARG 126 HE ARG 126 13.113 21.723 17.043 1002 1HH1 ARG 126 2HH2 ARG 126 13.920 24.865 15.572 1003 2HH1 ARG 126 1HH2 ARG 126 13.304 25.832 16.843 1004 1HH2 ARG 126 2HH1 ARG 126 12.334 22.914 18.658 1005 2HH2 ARG 126 1HH1 ARG 126 12.349 24.676 18.703 1006 H ILE 127 H ILE 127 14.006 17.977 12.252 1007 HA ILE 127 HA ILE 127 12.400 16.922 10.721 1008 HB ILE 127 HB ILE 127 11.031 19.618 10.713 1009 1HG1 ILE 127 2HG1 ILE 127 9.308 18.381 11.716 1010 2HG1 ILE 127 1HG1 ILE 127 9.800 16.899 10.880 1011 1HG2 ILE 127 3HG2 ILE 127 11.121 18.959 8.400 1012 2HG2 ILE 127 2HG2 ILE 127 10.352 17.400 8.875 1013 3HG2 ILE 127 1HG2 ILE 127 9.484 18.903 9.006 1014 1HD1 ILE 127 1HD1 ILE 127 11.725 16.701 12.661 1015 2HD1 ILE 127 3HD1 ILE 127 10.779 17.905 13.611 1016 3HD1 ILE 127 2HD1 ILE 127 10.077 16.395 13.128 1017 H PHE 128 H PHE 128 12.142 16.925 8.690 1018 HA PHE 128 HA PHE 128 14.237 17.124 7.021 1019 1HB PHE 128 2HB PHE 128 12.533 16.703 5.269 1020 2HB PHE 128 1HB PHE 128 11.971 15.854 6.652 1021 HD1 PHE 128 HD2 PHE 128 11.550 19.184 4.995 1022 HD2 PHE 128 HD1 PHE 128 9.720 16.124 7.216 1023 HE1 PHE 128 HE2 PHE 128 9.492 20.365 4.646 1024 HE2 PHE 128 HE1 PHE 128 7.527 17.302 6.915 1025 HZ PHE 128 HZ PHE 128 7.374 19.435 5.617 1026 H LYS 129 H LYS 129 14.472 17.837 5.187 1027 HA LYS 129 HA LYS 129 13.879 20.681 4.813 1028 1HB LYS 129 2HB LYS 129 16.452 19.568 3.775 1029 2HB LYS 129 1HB LYS 129 15.598 21.073 3.309 1030 1HG LYS 129 2HG LYS 129 15.669 21.710 5.777 1031 2HG LYS 129 1HG LYS 129 16.596 20.241 6.030 1032 1HD LYS 129 2HD LYS 129 18.085 22.138 5.865 1033 2HD LYS 129 1HD LYS 129 18.427 20.917 4.679 1034 1HE LYS 129 2HE LYS 129 17.082 22.205 2.966 1035 2HE LYS 129 1HE LYS 129 16.729 23.432 4.124 1036 1HZ LYS 129 3HZ LYS 129 19.567 22.879 3.802 1037 2HZ LYS 129 2HZ LYS 129 18.787 23.488 2.415 1038 3HZ LYS 129 1HZ LYS 129 18.795 24.365 3.890 1039 H LYS 130 H LYS 130 13.232 17.697 3.892 1040 HA LYS 130 HA LYS 130 12.372 16.651 1.968 1041 1HB LYS 130 2HB LYS 130 10.536 16.893 2.539 1042 2HB LYS 130 1HB LYS 130 10.538 18.691 2.789 1043 1HG LYS 130 2HG LYS 130 10.685 17.481 0.066 1044 2HG LYS 130 1HG LYS 130 9.270 17.040 0.896 1045 1HD LYS 130 2HD LYS 130 9.988 20.033 0.749 1046 2HD LYS 130 1HD LYS 130 9.340 19.256 -0.679 1047 1HE LYS 130 2HE LYS 130 7.204 19.111 0.152 1048 2HE LYS 130 1HE LYS 130 7.764 18.710 1.804 1049 1HZ LYS 130 1HZ LYS 130 7.978 21.398 0.618 1050 2HZ LYS 130 3HZ LYS 130 6.676 20.921 1.599 1051 3HZ LYS 130 2HZ LYS 130 8.276 20.975 2.209 1052 H GLU 131 H GLU 131 12.283 16.519 -0.004 1053 HA GLU 131 HA GLU 131 12.868 18.821 -1.639 1054 1HB GLU 131 2HB GLU 131 14.881 17.940 -0.413 1055 2HB GLU 131 1HB GLU 131 14.949 16.767 -1.252 1056 1HG GLU 131 2HG GLU 131 16.630 18.448 -2.052 1057 2HG GLU 131 1HG GLU 131 15.584 18.031 -3.408 No H/Q in entry = 1057 Start of MODEL 4 1 1H ALA 1 1H ALA 1 3.459 6.762 2.796 2 2H ALA 1 3H ALA 1 3.554 6.666 4.422 3 3H ALA 1 2H ALA 1 2.163 7.238 3.730 4 HA ALA 1 HA ALA 1 3.178 9.238 3.035 5 1HB ALA 1 1HB ALA 1 3.029 8.195 5.802 6 2HB ALA 1 3HB ALA 1 4.358 9.356 5.648 7 3HB ALA 1 2HB ALA 1 2.739 9.880 5.204 8 H PHE 2 H PHE 2 5.553 10.269 4.450 9 HA PHE 2 HA PHE 2 7.798 10.567 4.093 10 1HB PHE 2 2HB PHE 2 8.405 7.726 3.700 11 2HB PHE 2 1HB PHE 2 9.354 8.968 4.526 12 HD1 PHE 2 HD1 PHE 2 6.083 6.886 4.896 13 HD2 PHE 2 HD2 PHE 2 9.297 8.942 6.886 14 HE1 PHE 2 HE1 PHE 2 5.353 6.065 7.046 15 HE2 PHE 2 HE2 PHE 2 8.558 8.110 9.018 16 HZ PHE 2 HZ PHE 2 6.523 6.620 9.108 17 H ASP 3 H ASP 3 6.220 8.772 1.356 18 HA ASP 3 HA ASP 3 8.550 8.317 -0.190 19 1HB ASP 3 2HB ASP 3 6.970 8.747 -2.160 20 2HB ASP 3 1HB ASP 3 6.693 7.346 -1.041 21 H GLY 4 H GLY 4 10.001 9.553 -0.953 22 1HA GLY 4 1HA GLY 4 10.399 11.645 -2.389 23 2HA GLY 4 2HA GLY 4 9.283 12.422 -1.348 24 H THR 5 H THR 5 11.304 13.640 -1.679 25 HA THR 5 HA THR 5 13.743 13.600 -0.063 26 HB THR 5 HB THR 5 13.836 15.743 -0.546 27 HG1 THR 5 1HG THR 5 11.324 15.509 -1.892 28 1HG2 THR 5 3HG2 THR 5 13.663 13.668 -2.543 29 2HG2 THR 5 2HG2 THR 5 12.609 14.923 -3.217 30 3HG2 THR 5 1HG2 THR 5 14.345 15.294 -2.917 31 H TRP 6 H TRP 6 14.179 14.861 1.428 32 HA TRP 6 HA TRP 6 12.347 15.845 3.493 33 1HB TRP 6 2HB TRP 6 13.750 13.081 3.222 34 2HB TRP 6 1HB TRP 6 13.553 13.889 4.748 35 HD1 TRP 6 HD1 TRP 6 11.975 11.177 3.262 36 HE1 TRP 6 HE1 TRP 6 9.475 10.946 3.270 37 HE3 TRP 6 HE3 TRP 6 10.705 16.033 4.444 38 HZ2 TRP 6 HZ2 TRP 6 7.240 12.553 3.647 39 HZ3 TRP 6 HZ3 TRP 6 8.376 16.516 4.581 40 HH2 TRP 6 HH2 TRP 6 6.619 14.785 4.177 41 H LYS 7 H LYS 7 14.061 16.293 5.468 42 HA LYS 7 HA LYS 7 16.920 16.181 4.589 43 1HB LYS 7 2HB LYS 7 15.894 18.877 5.027 44 2HB LYS 7 1HB LYS 7 17.306 18.283 4.287 45 1HG LYS 7 2HG LYS 7 16.097 17.284 2.448 46 2HG LYS 7 1HG LYS 7 14.587 17.600 2.902 47 1HD LYS 7 2HD LYS 7 15.500 18.963 0.994 48 2HD LYS 7 1HD LYS 7 15.046 20.101 2.185 49 1HE LYS 7 2HE LYS 7 17.781 19.564 2.737 50 2HE LYS 7 1HE LYS 7 17.581 19.663 0.975 51 1HZ LYS 7 3HZ LYS 7 16.357 21.755 1.331 52 2HZ LYS 7 2HZ LYS 7 17.071 21.808 2.887 53 3HZ LYS 7 1HZ LYS 7 18.022 21.723 1.518 54 H VAL 8 H VAL 8 17.208 18.523 6.359 55 HA VAL 8 HA VAL 8 15.864 17.833 8.838 56 HB VAL 8 HB VAL 8 18.768 17.325 8.768 57 1HG1 VAL 8 1HG1 VAL 8 16.829 18.222 10.874 58 2HG1 VAL 8 3HG1 VAL 8 17.826 16.907 11.389 59 3HG1 VAL 8 2HG1 VAL 8 18.617 18.446 10.887 60 1HG2 VAL 8 2HG2 VAL 8 16.396 15.605 9.513 61 2HG2 VAL 8 1HG2 VAL 8 17.636 15.265 8.269 62 3HG2 VAL 8 3HG2 VAL 8 18.024 15.186 10.015 63 H ASP 9 H ASP 9 15.199 19.726 7.694 64 HA ASP 9 HA ASP 9 16.208 22.163 7.130 65 1HB ASP 9 2HB ASP 9 13.859 21.053 7.615 66 2HB ASP 9 1HB ASP 9 14.033 21.811 9.126 67 H ARG 10 H ARG 10 15.534 20.787 10.301 68 HA ARG 10 HA ARG 10 17.161 23.039 11.509 69 1HB ARG 10 2HB ARG 10 15.131 22.704 13.316 70 2HB ARG 10 1HB ARG 10 15.324 23.960 12.127 71 1HG ARG 10 2HG ARG 10 13.835 21.567 11.065 72 2HG ARG 10 1HG ARG 10 13.003 22.455 12.291 73 1HD ARG 10 2HD ARG 10 14.291 24.029 10.021 74 2HD ARG 10 1HD ARG 10 12.684 23.327 9.861 75 HE ARG 10 HE ARG 10 13.576 25.361 11.851 76 1HH1 ARG 10 1HH2 ARG 10 10.828 23.790 10.236 77 2HH1 ARG 10 2HH2 ARG 10 9.664 24.899 10.861 78 1HH2 ARG 10 2HH1 ARG 10 11.969 26.832 12.645 79 2HH2 ARG 10 1HH1 ARG 10 10.311 26.602 12.196 80 H ASN 11 H ASN 11 17.410 22.477 14.003 81 HA ASN 11 HA ASN 11 17.586 19.517 14.241 82 1HB ASN 11 2HB ASN 11 20.105 20.126 15.001 83 2HB ASN 11 1HB ASN 11 19.698 19.420 13.478 84 1HD2 ASN 11 2HD2 ASN 11 21.030 22.023 11.600 85 2HD2 ASN 11 1HD2 ASN 11 20.593 20.333 11.789 86 H GLU 12 H GLU 12 16.995 19.005 16.081 87 HA GLU 12 HA GLU 12 17.707 20.756 18.483 88 1HB GLU 12 2HB GLU 12 15.229 20.335 17.694 89 2HB GLU 12 1HB GLU 12 15.425 18.911 18.738 90 1HG GLU 12 2HG GLU 12 15.513 21.892 19.336 91 2HG GLU 12 1HG GLU 12 14.393 20.748 19.959 92 H ASN 13 H ASN 13 18.894 19.753 20.065 93 HA ASN 13 HA ASN 13 19.975 18.060 21.224 94 1HB ASN 13 2HB ASN 13 17.413 16.816 20.510 95 2HB ASN 13 1HB ASN 13 18.683 15.682 20.868 96 1HD2 ASN 13 1HD2 ASN 13 18.100 18.624 23.772 97 2HD2 ASN 13 2HD2 ASN 13 18.330 19.053 22.103 98 H TYR 14 H TYR 14 20.073 18.361 17.849 99 HA TYR 14 HA TYR 14 20.961 15.811 17.037 100 1HB TYR 14 2HB TYR 14 19.792 17.531 15.878 101 2HB TYR 14 1HB TYR 14 21.294 18.367 15.628 102 HD1 TYR 14 HD1 TYR 14 23.217 16.614 14.702 103 HD2 TYR 14 HD2 TYR 14 18.987 16.097 14.276 104 HE1 TYR 14 HE1 TYR 14 23.640 15.107 12.757 105 HE2 TYR 14 HE2 TYR 14 19.344 14.599 12.366 106 HH TYR 14 HH TYR 14 22.475 13.428 11.561 107 H GLU 15 H GLU 15 22.844 18.647 18.219 108 HA GLU 15 HA GLU 15 25.373 17.443 17.434 109 1HB GLU 15 2HB GLU 15 25.393 19.687 17.343 110 2HB GLU 15 1HB GLU 15 24.564 19.907 18.893 111 1HG GLU 15 2HG GLU 15 26.708 18.819 19.992 112 2HG GLU 15 1HG GLU 15 27.458 19.053 18.399 113 H LYS 16 H LYS 16 23.570 18.090 20.452 114 HA LYS 16 HA LYS 16 25.339 16.908 22.404 115 1HB LYS 16 2HB LYS 16 23.619 18.632 22.779 116 2HB LYS 16 1HB LYS 16 22.424 17.310 22.606 117 1HG LYS 16 2HG LYS 16 22.934 16.411 24.688 118 2HG LYS 16 1HG LYS 16 24.701 16.594 24.331 119 1HD LYS 16 2HD LYS 16 24.887 18.372 25.507 120 2HD LYS 16 1HD LYS 16 23.741 19.248 24.621 121 1HE LYS 16 2HE LYS 16 23.132 17.404 27.026 122 2HE LYS 16 1HE LYS 16 23.269 19.192 27.064 123 1HZ LYS 16 2HZ LYS 16 21.229 17.602 25.553 124 2HZ LYS 16 1HZ LYS 16 21.004 18.307 27.043 125 3HZ LYS 16 3HZ LYS 16 21.344 19.298 25.693 126 H PHE 17 H PHE 17 22.768 15.324 20.381 127 HA PHE 17 HA PHE 17 22.723 13.058 22.182 128 1HB PHE 17 2HB PHE 17 21.032 12.216 21.039 129 2HB PHE 17 1HB PHE 17 20.862 13.858 20.509 130 HD1 PHE 17 HD2 PHE 17 23.014 13.882 18.344 131 HD2 PHE 17 HD1 PHE 17 20.212 10.913 19.467 132 HE1 PHE 17 HE2 PHE 17 23.085 12.953 16.030 133 HE2 PHE 17 HE1 PHE 17 20.251 9.947 17.199 134 HZ PHE 17 HZ PHE 17 21.709 10.971 15.420 135 H MET 18 H MET 18 24.565 14.158 19.505 136 HA MET 18 HA MET 18 25.807 11.641 18.651 137 1HB MET 18 2HB MET 18 25.994 14.575 18.069 138 2HB MET 18 1HB MET 18 27.500 13.590 17.869 139 1HG MET 18 2HG MET 18 25.889 11.924 16.526 140 2HG MET 18 1HG MET 18 24.910 13.356 16.341 141 1HE MET 18 1HE MET 18 24.811 12.856 14.198 142 2HE MET 18 3HE MET 18 25.726 13.967 13.102 143 3HE MET 18 2HE MET 18 26.195 12.230 13.312 144 H GLU 19 H GLU 19 26.568 14.578 20.389 145 HA GLU 19 HA GLU 19 29.198 14.347 21.035 146 1HB GLU 19 2HB GLU 19 28.652 16.170 22.122 147 2HB GLU 19 1HB GLU 19 26.911 15.799 21.846 148 1HG GLU 19 2HG GLU 19 26.644 14.930 23.986 149 2HG GLU 19 1HG GLU 19 28.392 14.787 24.333 150 H LYS 20 H LYS 20 26.403 13.069 22.884 151 HA LYS 20 HA LYS 20 28.136 12.181 25.011 152 1HB LYS 20 2HB LYS 20 25.239 11.889 24.519 153 2HB LYS 20 1HB LYS 20 26.106 11.221 25.947 154 1HG LYS 20 2HG LYS 20 26.310 13.097 26.955 155 2HG LYS 20 1HG LYS 20 27.050 13.896 25.535 156 1HD LYS 20 2HD LYS 20 25.076 15.144 25.585 157 2HD LYS 20 1HD LYS 20 24.341 13.770 24.837 158 1HE LYS 20 2HE LYS 20 22.942 14.004 26.702 159 2HE LYS 20 1HE LYS 20 24.271 13.055 27.506 160 1HZ LYS 20 2HZ LYS 20 24.940 15.773 27.430 161 2HZ LYS 20 1HZ LYS 20 23.367 15.616 28.077 162 3HZ LYS 20 3HZ LYS 20 24.630 14.752 28.727 163 H MET 21 H MET 21 27.049 10.660 22.003 164 HA MET 21 HA MET 21 27.563 7.964 23.095 165 1HB MET 21 2HB MET 21 27.189 7.041 20.916 166 2HB MET 21 1HB MET 21 25.797 7.823 21.798 167 1HG MET 21 2HG MET 21 25.925 9.801 20.441 168 2HG MET 21 1HG MET 21 27.213 9.148 19.415 169 1HE MET 21 2HE MET 21 24.053 8.871 21.104 170 2HE MET 21 1HE MET 21 23.208 9.563 19.675 171 3HE MET 21 3HE MET 21 22.930 7.845 20.154 172 H GLY 22 H GLY 22 29.705 10.215 22.560 173 1HA GLY 22 1HA GLY 22 32.051 9.547 22.707 174 2HA GLY 22 2HA GLY 22 31.785 8.379 21.443 175 H ILE 23 H ILE 23 30.324 11.530 21.082 176 HA ILE 23 HA ILE 23 32.119 12.108 18.755 177 HB ILE 23 HB ILE 23 29.391 13.056 19.565 178 1HG1 ILE 23 2HG1 ILE 23 28.653 12.091 17.599 179 2HG1 ILE 23 1HG1 ILE 23 30.313 11.955 16.918 180 1HG2 ILE 23 1HG2 ILE 23 30.803 15.032 18.690 181 2HG2 ILE 23 3HG2 ILE 23 31.114 14.058 17.244 182 3HG2 ILE 23 2HG2 ILE 23 29.465 14.626 17.649 183 1HD1 ILE 23 1HD1 ILE 23 29.448 10.341 19.436 184 2HD1 ILE 23 3HD1 ILE 23 29.200 9.706 17.811 185 3HD1 ILE 23 2HD1 ILE 23 30.828 10.108 18.383 186 H ASN 24 H ASN 24 33.791 13.509 19.128 187 HA ASN 24 HA ASN 24 33.701 15.190 21.573 188 1HB ASN 24 2HB ASN 24 36.041 15.506 20.175 189 2HB ASN 24 1HB ASN 24 35.620 15.097 21.872 190 1HD2 ASN 24 2HD2 ASN 24 37.388 12.272 19.772 191 2HD2 ASN 24 1HD2 ASN 24 37.605 13.981 19.673 192 H VAL 25 H VAL 25 34.727 17.445 21.283 193 HA VAL 25 HA VAL 25 33.043 18.973 19.510 194 HB VAL 25 HB VAL 25 33.583 20.856 20.129 195 1HG1 VAL 25 2HG1 VAL 25 33.156 18.819 22.331 196 2HG1 VAL 25 1HG1 VAL 25 32.806 20.575 22.523 197 3HG1 VAL 25 3HG1 VAL 25 31.935 19.647 21.321 198 1HG2 VAL 25 3HG2 VAL 25 36.134 20.450 20.764 199 2HG2 VAL 25 2HG2 VAL 25 35.255 21.221 22.127 200 3HG2 VAL 25 1HG2 VAL 25 35.579 19.497 22.126 201 H VAL 26 H VAL 26 36.254 17.711 18.814 202 HA VAL 26 HA VAL 26 37.258 19.662 17.072 203 HB VAL 26 HB VAL 26 37.730 16.734 17.059 204 1HG1 VAL 26 2HG1 VAL 26 39.321 19.006 15.706 205 2HG1 VAL 26 1HG1 VAL 26 39.900 17.353 15.944 206 3HG1 VAL 26 3HG1 VAL 26 38.463 17.696 14.930 207 1HG2 VAL 26 2HG2 VAL 26 38.149 18.775 18.950 208 2HG2 VAL 26 1HG2 VAL 26 39.257 17.368 18.808 209 3HG2 VAL 26 3HG2 VAL 26 39.646 18.925 18.053 210 H LYS 27 H LYS 27 34.615 17.551 16.788 211 HA LYS 27 HA LYS 27 34.404 17.554 13.879 212 1HB LYS 27 2HB LYS 27 32.307 16.871 15.863 213 2HB LYS 27 1HB LYS 27 32.455 16.397 14.149 214 1HG LYS 27 2HG LYS 27 34.628 15.499 16.030 215 2HG LYS 27 1HG LYS 27 33.175 14.696 16.242 216 1HD LYS 27 2HD LYS 27 33.610 13.337 14.451 217 2HD LYS 27 1HD LYS 27 33.612 14.697 13.353 218 1HE LYS 27 2HE LYS 27 35.957 15.214 13.775 219 2HE LYS 27 1HE LYS 27 36.109 13.901 14.937 220 1HZ LYS 27 2HZ LYS 27 35.248 12.587 12.819 221 2HZ LYS 27 1HZ LYS 27 36.077 13.846 12.041 222 3HZ LYS 27 3HZ LYS 27 36.846 12.851 13.202 223 H ARG 28 H ARG 28 33.446 19.443 16.650 224 HA ARG 28 HA ARG 28 31.213 20.818 15.780 225 1HB ARG 28 2HB ARG 28 31.960 20.878 18.028 226 2HB ARG 28 1HB ARG 28 33.317 21.992 17.521 227 1HG ARG 28 2HG ARG 28 31.578 23.296 18.460 228 2HG ARG 28 1HG ARG 28 31.715 23.654 16.759 229 1HD ARG 28 2HD ARG 28 29.782 21.571 16.814 230 2HD ARG 28 1HD ARG 28 29.580 22.220 18.331 231 HE ARG 28 HE ARG 28 28.774 23.552 15.826 232 1HH1 ARG 28 1HH1 ARG 28 28.505 25.339 19.450 233 2HH1 ARG 28 2HH1 ARG 28 29.458 23.930 19.247 234 1HH2 ARG 28 1HH2 ARG 28 27.495 25.422 16.027 235 2HH2 ARG 28 2HH2 ARG 28 27.384 26.171 17.579 236 H LYS 29 H LYS 29 34.592 21.180 14.898 237 HA LYS 29 HA LYS 29 34.583 23.925 14.049 238 1HB LYS 29 2HB LYS 29 36.266 21.887 12.673 239 2HB LYS 29 1HB LYS 29 36.511 23.650 12.947 240 1HG LYS 29 2HG LYS 29 37.117 21.348 14.696 241 2HG LYS 29 1HG LYS 29 37.971 22.851 14.547 242 1HD LYS 29 2HD LYS 29 35.531 22.362 16.263 243 2HD LYS 29 1HD LYS 29 37.142 22.811 16.746 244 1HE LYS 29 2HE LYS 29 36.321 24.889 14.941 245 2HE LYS 29 1HE LYS 29 34.945 24.574 16.050 246 1HZ LYS 29 1HZ LYS 29 36.792 24.573 17.829 247 2HZ LYS 29 3HZ LYS 29 37.646 25.494 16.701 248 3HZ LYS 29 2HZ LYS 29 36.140 26.031 17.207 249 H LEU 30 H LEU 30 33.442 20.966 12.646 250 HA LEU 30 HA LEU 30 31.944 22.441 10.584 251 1HB LEU 30 2HB LEU 30 32.928 20.872 8.784 252 2HB LEU 30 1HB LEU 30 33.667 22.410 9.136 253 HG LEU 30 HG LEU 30 35.102 20.759 10.883 254 1HD1 LEU 30 1HD1 LEU 30 33.851 19.027 8.877 255 2HD1 LEU 30 3HD1 LEU 30 35.647 18.947 8.837 256 3HD1 LEU 30 2HD1 LEU 30 34.794 18.544 10.316 257 1HD2 LEU 30 3HD2 LEU 30 35.904 22.451 9.021 258 2HD2 LEU 30 2HD2 LEU 30 36.971 21.118 9.450 259 3HD2 LEU 30 1HD2 LEU 30 36.002 21.073 7.953 260 H GLY 31 H GLY 31 30.861 21.054 12.592 261 1HA GLY 31 1HA GLY 31 29.821 18.597 11.276 262 2HA GLY 31 2HA GLY 31 30.561 18.453 12.864 263 H ALA 32 H ALA 32 27.994 17.748 12.891 264 HA ALA 32 HA ALA 32 25.888 18.265 13.785 265 1HB ALA 32 3HB ALA 32 27.519 20.387 15.156 266 2HB ALA 32 2HB ALA 32 25.802 20.075 15.498 267 3HB ALA 32 1HB ALA 32 26.991 18.778 15.792 268 H HIS 33 H HIS 33 26.547 19.233 11.134 269 HA HIS 33 HA HIS 33 24.757 21.665 11.048 270 1HB HIS 33 2HB HIS 33 27.388 21.832 10.322 271 2HB HIS 33 1HB HIS 33 26.815 20.934 8.864 272 HD1 HIS 33 HD1 HIS 33 27.114 22.837 7.270 273 HD2 HIS 33 HD2 HIS 33 24.640 23.718 10.581 274 HE1 HIS 33 HE1 HIS 33 25.943 25.078 6.795 275 HE2 HIS 33 HE2 HIS 33 24.467 25.588 8.798 276 H ASP 34 H ASP 34 24.649 18.561 10.746 277 HA ASP 34 HA ASP 34 24.167 17.799 8.142 278 1HB ASP 34 2HB ASP 34 22.395 16.831 10.278 279 2HB ASP 34 1HB ASP 34 22.926 16.027 8.796 280 H ASN 35 H ASN 35 23.155 18.801 6.631 281 HA ASN 35 HA ASN 35 20.245 19.196 6.948 282 1HB ASN 35 2HB ASN 35 21.872 21.255 7.619 283 2HB ASN 35 1HB ASN 35 21.871 21.468 5.867 284 1HD2 ASN 35 1HD2 ASN 35 18.830 22.933 8.128 285 2HD2 ASN 35 2HD2 ASN 35 20.394 22.482 8.676 286 H LEU 36 H LEU 36 19.638 17.943 5.078 287 HA LEU 36 HA LEU 36 20.448 19.187 2.599 288 1HB LEU 36 2HB LEU 36 22.245 18.316 1.990 289 2HB LEU 36 1HB LEU 36 22.416 17.694 3.598 290 HG LEU 36 HG LEU 36 21.421 15.468 2.731 291 1HD1 LEU 36 3HD1 LEU 36 20.507 16.968 0.468 292 2HD1 LEU 36 2HD1 LEU 36 21.868 16.070 -0.141 293 3HD1 LEU 36 1HD1 LEU 36 20.580 15.175 0.624 294 1HD2 LEU 36 2HD2 LEU 36 23.924 16.666 2.487 295 2HD2 LEU 36 1HD2 LEU 36 23.759 15.058 1.842 296 3HD2 LEU 36 3HD2 LEU 36 23.530 16.401 0.747 297 H LYS 37 H LYS 37 19.842 15.724 3.632 298 HA LYS 37 HA LYS 37 17.252 15.732 2.790 299 1HB LYS 37 2HB LYS 37 18.732 15.930 0.423 300 2HB LYS 37 1HB LYS 37 18.466 14.234 0.504 301 1HG LYS 37 2HG LYS 37 16.076 14.649 0.917 302 2HG LYS 37 1HG LYS 37 16.383 16.382 0.568 303 1HD LYS 37 2HD LYS 37 16.840 13.923 -1.188 304 2HD LYS 37 1HD LYS 37 15.636 15.182 -1.505 305 1HE LYS 37 2HE LYS 37 17.711 16.827 -1.687 306 2HE LYS 37 1HE LYS 37 18.713 15.396 -1.708 307 1HZ LYS 37 1HZ LYS 37 16.559 15.809 -3.633 308 2HZ LYS 37 3HZ LYS 37 18.166 16.310 -3.870 309 3HZ LYS 37 2HZ LYS 37 17.817 14.668 -3.730 310 H LEU 38 H LEU 38 17.008 14.297 4.666 311 HA LEU 38 HA LEU 38 18.386 11.861 4.949 312 1HB LEU 38 2HB LEU 38 16.099 12.837 6.296 313 2HB LEU 38 1HB LEU 38 15.374 12.052 5.005 314 HG LEU 38 HG LEU 38 15.298 10.556 6.885 315 1HD1 LEU 38 2HD1 LEU 38 16.083 9.573 4.695 316 2HD1 LEU 38 1HD1 LEU 38 17.716 9.466 5.419 317 3HD1 LEU 38 3HD1 LEU 38 16.333 8.572 6.132 318 1HD2 LEU 38 2HD2 LEU 38 18.287 11.465 7.058 319 2HD2 LEU 38 1HD2 LEU 38 17.193 11.253 8.437 320 3HD2 LEU 38 3HD2 LEU 38 17.899 9.849 7.580 321 H THR 39 H THR 39 15.603 13.121 3.306 322 HA THR 39 HA THR 39 14.411 12.749 1.548 323 HB THR 39 HB THR 39 16.362 10.705 0.427 324 HG1 THR 39 1HG THR 39 17.712 12.410 -0.069 325 1HG2 THR 39 1HG2 THR 39 14.186 11.637 -0.891 326 2HG2 THR 39 3HG2 THR 39 15.168 13.079 -1.189 327 3HG2 THR 39 2HG2 THR 39 15.763 11.550 -1.758 328 H ILE 40 H ILE 40 12.933 10.799 0.734 329 HA ILE 40 HA ILE 40 13.645 8.153 1.834 330 HB ILE 40 HB ILE 40 11.126 9.435 2.916 331 1HG1 ILE 40 2HG1 ILE 40 13.654 8.470 4.309 332 2HG1 ILE 40 1HG1 ILE 40 13.284 10.150 4.134 333 1HG2 ILE 40 3HG2 ILE 40 12.061 6.612 2.628 334 2HG2 ILE 40 2HG2 ILE 40 11.464 7.054 4.232 335 3HG2 ILE 40 1HG2 ILE 40 10.427 7.222 2.830 336 1HD1 ILE 40 2HD1 ILE 40 11.008 8.883 5.493 337 2HD1 ILE 40 1HD1 ILE 40 12.543 8.540 6.316 338 3HD1 ILE 40 3HD1 ILE 40 12.027 10.215 5.962 339 H THR 41 H THR 41 13.247 6.771 0.165 340 HA THR 41 HA THR 41 10.700 7.139 -1.413 341 HB THR 41 HB THR 41 13.294 6.135 -2.438 342 HG1 THR 41 1HG THR 41 13.213 8.346 -1.957 343 1HG2 THR 41 3HG2 THR 41 10.798 5.524 -3.438 344 2HG2 THR 41 2HG2 THR 41 10.925 7.195 -4.091 345 3HG2 THR 41 1HG2 THR 41 12.055 5.952 -4.594 346 H GLN 42 H GLN 42 9.442 5.600 -0.786 347 HA GLN 42 HA GLN 42 10.002 3.057 0.371 348 1HB GLN 42 2HB GLN 42 7.904 4.718 0.110 349 2HB GLN 42 1HB GLN 42 7.628 3.766 -1.357 350 1HG GLN 42 2HG GLN 42 6.471 2.340 -0.037 351 2HG GLN 42 1HG GLN 42 8.029 1.789 0.572 352 1HE2 GLN 42 2HE2 GLN 42 5.758 2.474 3.341 353 2HE2 GLN 42 1HE2 GLN 42 5.941 1.397 1.961 354 H GLU 43 H GLU 43 10.459 1.180 -0.611 355 HA GLU 43 HA GLU 43 10.410 1.136 -3.616 356 1HB GLU 43 2HB GLU 43 12.272 0.364 -1.530 357 2HB GLU 43 1HB GLU 43 11.663 -1.106 -2.275 358 1HG GLU 43 2HG GLU 43 12.788 1.196 -4.005 359 2HG GLU 43 1HG GLU 43 13.876 -0.107 -3.286 360 H GLY 44 H GLY 44 10.081 -1.338 -0.984 361 1HA GLY 44 1HA GLY 44 7.271 -1.840 -1.676 362 2HA GLY 44 2HA GLY 44 8.501 -3.194 -1.769 363 H ASN 45 H ASN 45 10.014 -3.158 0.054 364 HA ASN 45 HA ASN 45 8.719 -2.802 2.676 365 1HB ASN 45 2HB ASN 45 11.133 -4.597 2.098 366 2HB ASN 45 1HB ASN 45 9.954 -4.743 3.442 367 1HD2 ASN 45 1HD2 ASN 45 9.560 -7.062 0.336 368 2HD2 ASN 45 2HD2 ASN 45 11.006 -6.266 0.904 369 H LYS 46 H LYS 46 11.996 -3.096 1.283 370 HA LYS 46 HA LYS 46 13.268 -1.184 3.019 371 1HB LYS 46 2HB LYS 46 15.079 -1.959 1.857 372 2HB LYS 46 1HB LYS 46 13.926 -2.784 0.763 373 1HG LYS 46 2HG LYS 46 13.909 -0.436 -0.515 374 2HG LYS 46 1HG LYS 46 15.411 -0.223 0.418 375 1HD LYS 46 2HD LYS 46 15.531 -1.213 -1.942 376 2HD LYS 46 1HD LYS 46 16.404 -2.093 -0.671 377 1HE LYS 46 2HE LYS 46 14.822 -3.875 -0.747 378 2HE LYS 46 1HE LYS 46 13.560 -2.863 -1.465 379 1HZ LYS 46 3HZ LYS 46 15.930 -3.378 -3.109 380 2HZ LYS 46 2HZ LYS 46 14.933 -4.692 -2.734 381 3HZ LYS 46 1HZ LYS 46 14.260 -3.354 -3.474 382 H PHE 47 H PHE 47 14.459 0.610 1.909 383 HA PHE 47 HA PHE 47 12.725 1.960 -0.057 384 1HB PHE 47 2HB PHE 47 13.196 3.976 1.831 385 2HB PHE 47 1HB PHE 47 11.588 3.310 1.403 386 HD1 PHE 47 HD1 PHE 47 14.663 2.746 3.369 387 HD2 PHE 47 HD2 PHE 47 10.399 2.383 3.432 388 HE1 PHE 47 HE1 PHE 47 14.817 2.024 5.714 389 HE2 PHE 47 HE2 PHE 47 10.538 1.640 5.833 390 HZ PHE 47 HZ PHE 47 12.719 1.468 6.936 391 H THR 48 H THR 48 13.832 3.222 -1.365 392 HA THR 48 HA THR 48 16.684 3.592 -1.072 393 HB THR 48 HB THR 48 14.763 4.966 -3.010 394 HG1 THR 48 1HG THR 48 14.643 2.994 -3.606 395 1HG2 THR 48 3HG2 THR 48 17.851 4.809 -2.926 396 2HG2 THR 48 2HG2 THR 48 16.942 5.212 -4.415 397 3HG2 THR 48 1HG2 THR 48 16.869 6.268 -2.986 398 H VAL 49 H VAL 49 16.365 4.487 1.021 399 HA VAL 49 HA VAL 49 15.320 7.247 1.280 400 HB VAL 49 HB VAL 49 16.879 5.327 3.009 401 1HG1 VAL 49 2HG1 VAL 49 17.378 7.755 3.578 402 2HG1 VAL 49 1HG1 VAL 49 15.635 7.907 4.007 403 3HG1 VAL 49 3HG1 VAL 49 16.720 6.822 4.913 404 1HG2 VAL 49 3HG2 VAL 49 13.910 6.276 3.126 405 2HG2 VAL 49 2HG2 VAL 49 14.542 4.607 2.983 406 3HG2 VAL 49 1HG2 VAL 49 14.683 5.445 4.508 407 H LYS 50 H LYS 50 16.941 9.042 1.652 408 HA LYS 50 HA LYS 50 19.557 8.229 0.439 409 1HB LYS 50 2HB LYS 50 18.350 10.884 1.054 410 2HB LYS 50 1HB LYS 50 20.068 10.747 0.654 411 1HG LYS 50 2HG LYS 50 19.310 9.499 -1.506 412 2HG LYS 50 1HG LYS 50 17.714 10.297 -1.181 413 1HD LYS 50 2HD LYS 50 18.639 12.088 -2.193 414 2HD LYS 50 1HD LYS 50 19.735 12.218 -0.749 415 1HE LYS 50 2HE LYS 50 21.472 11.051 -1.922 416 2HE LYS 50 1HE LYS 50 20.304 10.243 -3.020 417 1HZ LYS 50 1HZ LYS 50 19.847 12.451 -3.921 418 2HZ LYS 50 3HZ LYS 50 21.134 13.040 -2.986 419 3HZ LYS 50 2HZ LYS 50 21.425 11.882 -4.173 420 H GLU 51 H GLU 51 19.526 10.894 2.603 421 HA GLU 51 HA GLU 51 20.131 11.124 4.775 422 1HB GLU 51 2HB GLU 51 20.079 8.412 5.157 423 2HB GLU 51 1HB GLU 51 21.678 8.419 4.489 424 1HG GLU 51 2HG GLU 51 22.537 9.845 6.232 425 2HG GLU 51 1HG GLU 51 20.931 10.299 6.716 426 H SER 52 H SER 52 20.944 12.442 3.109 427 HA SER 52 HA SER 52 23.930 12.317 2.866 428 1HB SER 52 2HB SER 52 21.910 13.987 1.317 429 2HB SER 52 1HB SER 52 23.621 13.476 0.845 430 HG SER 52 HG SER 52 22.311 11.363 1.325 431 H SER 53 H SER 53 24.968 14.467 3.530 432 HA SER 53 HA SER 53 23.145 16.338 4.734 433 1HB SER 53 2HB SER 53 23.784 16.241 7.016 434 2HB SER 53 1HB SER 53 22.857 14.842 6.482 435 HG SER 53 HG SER 53 24.485 13.945 7.578 436 H ASN 54 H ASN 54 25.395 17.209 6.722 437 HA ASN 54 HA ASN 54 27.076 18.377 4.573 438 1HB ASN 54 2HB ASN 54 26.302 19.587 6.734 439 2HB ASN 54 1HB ASN 54 27.515 18.550 7.571 440 1HD2 ASN 54 2HD2 ASN 54 28.627 21.506 4.813 441 2HD2 ASN 54 1HD2 ASN 54 27.087 20.729 4.654 442 H PHE 55 H PHE 55 27.388 15.411 4.633 443 HA PHE 55 HA PHE 55 30.251 15.508 5.522 444 1HB PHE 55 2HB PHE 55 28.057 13.664 6.461 445 2HB PHE 55 1HB PHE 55 29.785 13.148 6.344 446 HD1 PHE 55 HD2 PHE 55 31.449 15.205 7.332 447 HD2 PHE 55 HD1 PHE 55 27.406 14.322 8.459 448 HE1 PHE 55 HE2 PHE 55 31.775 16.333 9.529 449 HE2 PHE 55 HE1 PHE 55 27.678 15.419 10.618 450 HZ PHE 55 HZ PHE 55 29.968 16.466 11.176 451 H ARG 56 H ARG 56 28.482 12.479 4.756 452 HA ARG 56 HA ARG 56 30.585 12.091 2.739 453 1HB ARG 56 2HB ARG 56 29.978 10.432 4.486 454 2HB ARG 56 1HB ARG 56 28.378 10.310 3.813 455 1HG ARG 56 2HG ARG 56 29.034 9.060 1.983 456 2HG ARG 56 1HG ARG 56 30.611 9.885 1.834 457 1HD ARG 56 2HD ARG 56 29.972 7.299 2.968 458 2HD ARG 56 1HD ARG 56 31.552 8.064 2.669 459 HE ARG 56 HE ARG 56 31.610 8.754 4.936 460 1HH1 ARG 56 1HH2 ARG 56 28.539 7.003 4.274 461 2HH1 ARG 56 2HH2 ARG 56 28.240 6.780 5.961 462 1HH2 ARG 56 1HH1 ARG 56 31.071 8.371 7.129 463 2HH2 ARG 56 2HH1 ARG 56 29.621 7.522 7.523 464 H ASN 57 H ASN 57 27.190 12.471 3.083 465 HA ASN 57 HA ASN 57 25.478 12.878 1.672 466 1HB ASN 57 2HB ASN 57 26.788 14.622 0.712 467 2HB ASN 57 1HB ASN 57 27.787 13.487 -0.235 468 1HD2 ASN 57 2HD2 ASN 57 25.258 13.012 -2.760 469 2HD2 ASN 57 1HD2 ASN 57 26.702 12.364 -2.078 470 H ILE 58 H ILE 58 24.342 10.915 1.451 471 HA ILE 58 HA ILE 58 24.866 9.389 -0.918 472 HB ILE 58 HB ILE 58 26.680 8.867 1.060 473 1HG1 ILE 58 2HG1 ILE 58 25.657 6.741 -0.789 474 2HG1 ILE 58 1HG1 ILE 58 26.545 8.152 -1.403 475 1HG2 ILE 58 1HG2 ILE 58 24.972 7.988 2.606 476 2HG2 ILE 58 3HG2 ILE 58 24.507 6.737 1.417 477 3HG2 ILE 58 2HG2 ILE 58 26.113 6.699 2.099 478 1HD1 ILE 58 2HD1 ILE 58 27.600 6.275 0.769 479 2HD1 ILE 58 1HD1 ILE 58 28.129 6.230 -0.936 480 3HD1 ILE 58 3HD1 ILE 58 28.523 7.611 0.054 481 H ASP 59 H ASP 59 23.749 7.243 -0.797 482 HA ASP 59 HA ASP 59 21.326 7.613 0.831 483 1HB ASP 59 2HB ASP 59 20.289 6.156 -1.147 484 2HB ASP 59 1HB ASP 59 20.505 7.881 -1.381 485 H VAL 60 H VAL 60 20.434 5.761 1.701 486 HA VAL 60 HA VAL 60 22.064 3.259 1.308 487 HB VAL 60 HB VAL 60 21.181 4.480 3.920 488 1HG1 VAL 60 2HG1 VAL 60 22.883 2.025 3.299 489 2HG1 VAL 60 1HG1 VAL 60 22.662 2.652 4.933 490 3HG1 VAL 60 3HG1 VAL 60 21.271 1.976 4.046 491 1HG2 VAL 60 3HG2 VAL 60 23.744 4.679 2.337 492 2HG2 VAL 60 2HG2 VAL 60 23.138 5.754 3.607 493 3HG2 VAL 60 1HG2 VAL 60 23.969 4.226 4.041 494 H VAL 61 H VAL 61 20.630 1.996 0.351 495 HA VAL 61 HA VAL 61 17.807 2.061 1.230 496 HB VAL 61 HB VAL 61 18.813 0.218 -0.856 497 1HG1 VAL 61 1HG1 VAL 61 16.359 1.341 -0.109 498 2HG1 VAL 61 3HG1 VAL 61 16.621 1.822 -1.815 499 3HG1 VAL 61 2HG1 VAL 61 16.734 0.123 -1.371 500 1HG2 VAL 61 3HG2 VAL 61 19.387 3.213 -1.033 501 2HG2 VAL 61 2HG2 VAL 61 19.919 1.861 -2.095 502 3HG2 VAL 61 1HG2 VAL 61 18.366 2.679 -2.339 503 H PHE 62 H PHE 62 17.150 0.445 2.696 504 HA PHE 62 HA PHE 62 18.476 -2.170 2.519 505 1HB PHE 62 2HB PHE 62 18.976 -2.141 4.974 506 2HB PHE 62 1HB PHE 62 20.027 -1.115 4.054 507 HD1 PHE 62 HD2 PHE 62 19.464 1.398 3.822 508 HD2 PHE 62 HD1 PHE 62 17.772 -1.071 6.839 509 HE1 PHE 62 HE2 PHE 62 18.975 3.376 5.144 510 HE2 PHE 62 HE1 PHE 62 17.261 0.887 8.214 511 HZ PHE 62 HZ PHE 62 17.854 3.192 7.385 512 H GLU 63 H GLU 63 17.025 -3.546 2.782 513 HA GLU 63 HA GLU 63 14.278 -3.398 2.931 514 1HB GLU 63 2HB GLU 63 16.079 -5.632 3.774 515 2HB GLU 63 1HB GLU 63 14.284 -5.663 4.002 516 1HG GLU 63 2HG GLU 63 13.759 -5.529 1.757 517 2HG GLU 63 1HG GLU 63 15.249 -4.852 1.244 518 H LEU 64 H LEU 64 14.216 -1.511 4.593 519 HA LEU 64 HA LEU 64 13.410 -0.764 6.554 520 1HB LEU 64 2HB LEU 64 12.508 -3.582 6.362 521 2HB LEU 64 1HB LEU 64 12.517 -2.977 7.990 522 HG LEU 64 HG LEU 64 11.440 -0.963 6.171 523 1HD1 LEU 64 3HD1 LEU 64 10.999 -2.939 4.722 524 2HD1 LEU 64 2HD1 LEU 64 10.064 -3.721 5.970 525 3HD1 LEU 64 1HD1 LEU 64 9.455 -2.210 5.223 526 1HD2 LEU 64 2HD2 LEU 64 10.831 -1.522 8.753 527 2HD2 LEU 64 1HD2 LEU 64 9.496 -0.990 7.733 528 3HD2 LEU 64 3HD2 LEU 64 9.722 -2.736 8.048 529 H GLY 65 H GLY 65 14.624 -3.978 7.571 530 1HA GLY 65 1HA GLY 65 16.498 -2.522 9.429 531 2HA GLY 65 2HA GLY 65 15.406 -3.727 9.994 532 H VAL 66 H VAL 66 18.511 -3.086 8.756 533 HA VAL 66 HA VAL 66 19.084 -5.984 8.492 534 HB VAL 66 HB VAL 66 20.535 -4.254 6.607 535 1HG1 VAL 66 3HG1 VAL 66 20.137 -6.967 6.926 536 2HG1 VAL 66 2HG1 VAL 66 18.908 -6.630 5.738 537 3HG1 VAL 66 1HG1 VAL 66 20.621 -6.240 5.387 538 1HG2 VAL 66 2HG2 VAL 66 18.169 -3.228 6.428 539 2HG2 VAL 66 1HG2 VAL 66 18.692 -4.100 4.992 540 3HG2 VAL 66 3HG2 VAL 66 17.558 -4.875 6.111 541 H ASP 67 H ASP 67 20.893 -6.423 9.698 542 HA ASP 67 HA ASP 67 22.014 -4.551 11.460 543 1HB ASP 67 2HB ASP 67 23.951 -6.330 11.574 544 2HB ASP 67 1HB ASP 67 22.404 -6.205 12.459 545 H PHE 68 H PHE 68 23.950 -3.584 11.771 546 HA PHE 68 HA PHE 68 25.430 -3.004 9.207 547 1HB PHE 68 2HB PHE 68 24.337 -0.881 11.039 548 2HB PHE 68 1HB PHE 68 25.598 -0.646 9.814 549 HD1 PHE 68 HD1 PHE 68 24.779 -2.225 7.594 550 HD2 PHE 68 HD2 PHE 68 22.246 0.220 10.077 551 HE1 PHE 68 HE1 PHE 68 23.225 -2.003 5.767 552 HE2 PHE 68 HE2 PHE 68 20.681 0.440 8.216 553 HZ PHE 68 HZ PHE 68 21.169 -0.682 6.026 554 H ALA 69 H ALA 69 25.792 -1.382 12.258 555 HA ALA 69 HA ALA 69 27.386 -1.523 13.958 556 1HB ALA 69 2HB ALA 69 27.760 -4.065 12.943 557 2HB ALA 69 1HB ALA 69 29.302 -3.268 12.556 558 3HB ALA 69 3HB ALA 69 28.667 -3.314 14.253 559 H TYR 70 H TYR 70 27.088 0.181 11.753 560 HA TYR 70 HA TYR 70 29.877 1.095 11.287 561 1HB TYR 70 2HB TYR 70 29.174 0.990 9.041 562 2HB TYR 70 1HB TYR 70 27.467 0.931 9.534 563 HD1 TYR 70 HD2 TYR 70 30.289 3.536 9.534 564 HD2 TYR 70 HD1 TYR 70 26.125 2.760 8.912 565 HE1 TYR 70 HE2 TYR 70 29.916 5.913 8.848 566 HE2 TYR 70 HE1 TYR 70 25.749 5.037 8.246 567 HH TYR 70 HH TYR 70 26.760 7.235 8.559 568 H SER 71 H SER 71 30.258 2.651 12.654 569 HA SER 71 HA SER 71 28.784 3.897 14.519 570 1HB SER 71 2HB SER 71 30.489 5.193 14.866 571 2HB SER 71 1HB SER 71 31.349 4.270 13.685 572 HG SER 71 HG SER 71 31.505 6.147 12.636 573 H LEU 72 H LEU 72 28.185 5.985 14.919 574 HA LEU 72 HA LEU 72 26.258 6.850 12.972 575 1HB LEU 72 2HB LEU 72 25.167 7.293 14.826 576 2HB LEU 72 1HB LEU 72 26.622 6.989 15.836 577 HG LEU 72 HG LEU 72 25.290 9.155 16.044 578 1HD1 LEU 72 2HD1 LEU 72 28.109 8.670 16.288 579 2HD1 LEU 72 1HD1 LEU 72 27.867 10.376 15.959 580 3HD1 LEU 72 3HD1 LEU 72 27.044 9.580 17.348 581 1HD2 LEU 72 1HD2 LEU 72 25.683 9.446 13.328 582 2HD2 LEU 72 3HD2 LEU 72 25.220 10.736 14.449 583 3HD2 LEU 72 2HD2 LEU 72 26.911 10.569 13.959 584 H ALA 73 H ALA 73 27.372 7.745 11.399 585 HA ALA 73 HA ALA 73 29.226 8.712 10.301 586 1HB ALA 73 1HB ALA 73 27.144 9.782 9.776 587 2HB ALA 73 3HB ALA 73 27.545 11.038 11.012 588 3HB ALA 73 2HB ALA 73 28.625 10.756 9.579 589 H ASP 74 H ASP 74 30.516 8.158 12.614 590 HA ASP 74 HA ASP 74 32.748 8.963 12.944 591 1HB ASP 74 2HB ASP 74 31.728 11.657 13.268 592 2HB ASP 74 1HB ASP 74 33.278 11.026 13.919 593 H GLY 75 H GLY 75 30.464 7.690 14.666 594 1HA GLY 75 1HA GLY 75 31.365 8.577 17.380 595 2HA GLY 75 2HA GLY 75 30.034 7.512 17.033 596 H THR 76 H THR 76 30.341 5.368 16.894 597 HA THR 76 HA THR 76 33.020 4.188 16.714 598 HB THR 76 HB THR 76 32.383 4.747 19.145 599 HG1 THR 76 1HG THR 76 33.601 3.091 19.612 600 1HG2 THR 76 3HG2 THR 76 30.493 2.332 18.549 601 2HG2 THR 76 2HG2 THR 76 31.390 2.322 20.046 602 3HG2 THR 76 1HG2 THR 76 30.254 3.670 19.676 603 H GLU 77 H GLU 77 29.435 3.697 16.685 604 HA GLU 77 HA GLU 77 29.610 1.714 14.600 605 1HB GLU 77 2HB GLU 77 29.767 0.925 17.476 606 2HB GLU 77 1HB GLU 77 28.514 0.104 16.659 607 1HG GLU 77 2HG GLU 77 29.920 -1.424 15.822 608 2HG GLU 77 1HG GLU 77 30.797 -0.185 14.867 609 H LEU 78 H LEU 78 27.336 0.940 14.127 610 HA LEU 78 HA LEU 78 25.355 1.653 16.153 611 1HB LEU 78 2HB LEU 78 25.833 3.174 13.651 612 2HB LEU 78 1HB LEU 78 24.311 2.343 13.369 613 HG LEU 78 HG LEU 78 23.799 3.581 15.789 614 1HD1 LEU 78 2HD1 LEU 78 26.102 4.466 15.613 615 2HD1 LEU 78 1HD1 LEU 78 25.556 5.420 14.214 616 3HD1 LEU 78 3HD1 LEU 78 24.904 5.719 15.867 617 1HD2 LEU 78 1HD2 LEU 78 23.232 4.010 12.924 618 2HD2 LEU 78 3HD2 LEU 78 22.273 4.810 14.220 619 3HD2 LEU 78 2HD2 LEU 78 23.684 5.580 13.528 620 H THR 79 H THR 79 25.522 -0.549 16.253 621 HA THR 79 HA THR 79 24.722 -2.325 14.057 622 HB THR 79 HB THR 79 25.898 -2.721 16.697 623 HG1 THR 79 1HG THR 79 26.878 -4.305 15.457 624 1HG2 THR 79 2HG2 THR 79 23.768 -3.877 17.182 625 2HG2 THR 79 1HG2 THR 79 23.970 -4.901 15.783 626 3HG2 THR 79 3HG2 THR 79 25.173 -4.979 17.115 627 H GLY 80 H GLY 80 22.862 -3.855 14.445 628 1HA GLY 80 1HA GLY 80 20.921 -4.373 15.956 629 2HA GLY 80 2HA GLY 80 20.618 -2.601 15.969 630 H THR 81 H THR 81 19.141 -2.070 14.658 631 HA THR 81 HA THR 81 19.122 -2.436 11.851 632 HB THR 81 HB THR 81 18.320 -4.853 13.245 633 HG1 THR 81 1HG THR 81 19.172 -4.220 11.034 634 1HG2 THR 81 2HG2 THR 81 15.863 -3.734 11.844 635 2HG2 THR 81 1HG2 THR 81 16.110 -5.378 12.358 636 3HG2 THR 81 3HG2 THR 81 15.998 -4.153 13.590 637 H TRP 82 H TRP 82 18.211 -0.702 11.385 638 HA TRP 82 HA TRP 82 16.199 0.721 12.869 639 1HB TRP 82 2HB TRP 82 16.046 0.836 9.829 640 2HB TRP 82 1HB TRP 82 15.721 2.120 10.918 641 HD1 TRP 82 HD1 TRP 82 19.396 0.462 10.519 642 HE1 TRP 82 HE1 TRP 82 20.828 2.347 9.633 643 HE3 TRP 82 HE3 TRP 82 15.873 4.113 9.936 644 HZ2 TRP 82 HZ2 TRP 82 20.565 5.079 8.776 645 HZ3 TRP 82 HZ3 TRP 82 16.459 6.298 9.143 646 HH2 TRP 82 HH2 TRP 82 18.869 6.794 8.533 647 H THR 83 H THR 83 14.102 1.161 11.449 648 HA THR 83 HA THR 83 12.822 -0.428 9.660 649 HB THR 83 HB THR 83 11.064 -1.510 11.076 650 HG1 THR 83 1HG THR 83 12.961 -1.886 13.069 651 1HG2 THR 83 1HG2 THR 83 13.303 -2.751 9.961 652 2HG2 THR 83 3HG2 THR 83 13.509 -3.174 11.688 653 3HG2 THR 83 2HG2 THR 83 12.087 -3.720 10.850 654 H MET 84 H MET 84 10.401 -0.099 9.932 655 HA MET 84 HA MET 84 9.705 2.320 11.587 656 1HB MET 84 2HB MET 84 8.700 3.212 9.394 657 2HB MET 84 1HB MET 84 10.328 2.890 9.068 658 1HG MET 84 2HG MET 84 10.068 1.080 7.770 659 2HG MET 84 1HG MET 84 8.721 0.510 8.647 660 1HE MET 84 2HE MET 84 8.299 -0.101 6.035 661 2HE MET 84 1HE MET 84 6.699 0.063 6.777 662 3HE MET 84 3HE MET 84 6.959 0.760 5.165 663 H GLU 85 H GLU 85 6.983 2.263 10.350 664 HA GLU 85 HA GLU 85 6.314 -0.579 10.550 665 1HB GLU 85 2HB GLU 85 6.469 0.289 12.931 666 2HB GLU 85 1HB GLU 85 5.255 1.532 12.485 667 1HG GLU 85 2HG GLU 85 4.410 -1.216 11.750 668 2HG GLU 85 1HG GLU 85 4.810 -1.240 13.404 669 H GLY 86 H GLY 86 5.146 2.765 10.381 670 1HA GLY 86 1HA GLY 86 3.889 2.538 7.927 671 2HA GLY 86 2HA GLY 86 2.669 1.994 9.200 672 H ASN 87 H ASN 87 3.514 3.448 11.339 673 HA ASN 87 HA ASN 87 2.793 6.230 10.439 674 1HB ASN 87 2HB ASN 87 2.229 5.774 13.083 675 2HB ASN 87 1HB ASN 87 1.535 6.725 11.701 676 1HD2 ASN 87 2HD2 ASN 87 -0.277 4.022 10.279 677 2HD2 ASN 87 1HD2 ASN 87 0.598 5.462 9.930 678 H LYS 88 H LYS 88 5.545 4.480 11.093 679 HA LYS 88 HA LYS 88 7.211 6.769 11.482 680 1HB LYS 88 2HB LYS 88 8.159 6.143 13.571 681 2HB LYS 88 1HB LYS 88 6.701 6.954 13.795 682 1HG LYS 88 2HG LYS 88 5.489 4.697 14.202 683 2HG LYS 88 1HG LYS 88 7.077 3.887 14.016 684 1HD LYS 88 2HD LYS 88 7.205 6.237 15.776 685 2HD LYS 88 1HD LYS 88 6.043 5.074 16.378 686 1HE LYS 88 2HE LYS 88 8.818 4.224 15.434 687 2HE LYS 88 1HE LYS 88 8.593 4.990 17.048 688 1HZ LYS 88 1HZ LYS 88 6.811 3.126 17.201 689 2HZ LYS 88 3HZ LYS 88 7.711 2.354 16.028 690 3HZ LYS 88 2HZ LYS 88 8.444 2.778 17.509 691 H LEU 89 H LEU 89 9.162 6.435 11.352 692 HA LEU 89 HA LEU 89 10.334 3.814 10.590 693 1HB LEU 89 2HB LEU 89 10.965 6.675 10.278 694 2HB LEU 89 1HB LEU 89 12.122 5.891 11.258 695 HG LEU 89 HG LEU 89 11.371 5.375 8.388 696 1HD1 LEU 89 1HD1 LEU 89 12.947 7.208 9.027 697 2HD1 LEU 89 3HD1 LEU 89 14.108 5.961 9.576 698 3HD1 LEU 89 2HD1 LEU 89 13.657 6.089 7.885 699 1HD2 LEU 89 2HD2 LEU 89 12.035 3.126 9.885 700 2HD2 LEU 89 1HD2 LEU 89 12.978 3.326 8.400 701 3HD2 LEU 89 3HD2 LEU 89 13.631 3.892 9.960 702 H VAL 90 H VAL 90 12.626 3.948 11.710 703 HA VAL 90 HA VAL 90 12.898 4.504 14.479 704 HB VAL 90 HB VAL 90 13.075 1.621 14.094 705 1HG1 VAL 90 2HG1 VAL 90 13.630 2.873 16.142 706 2HG1 VAL 90 1HG1 VAL 90 11.898 3.143 16.486 707 3HG1 VAL 90 3HG1 VAL 90 12.535 1.492 16.412 708 1HG2 VAL 90 1HG2 VAL 90 10.509 2.188 13.310 709 2HG2 VAL 90 3HG2 VAL 90 10.690 1.102 14.667 710 3HG2 VAL 90 2HG2 VAL 90 10.324 2.815 14.975 711 H GLY 91 H GLY 91 14.670 5.382 13.790 712 1HA GLY 91 1HA GLY 91 16.601 4.626 11.940 713 2HA GLY 91 2HA GLY 91 16.880 5.478 13.464 714 H LYS 92 H LYS 92 15.753 3.614 15.121 715 HA LYS 92 HA LYS 92 16.565 2.125 16.589 716 1HB LYS 92 2HB LYS 92 15.089 0.943 14.458 717 2HB LYS 92 1HB LYS 92 16.594 -0.043 14.615 718 1HG LYS 92 2HG LYS 92 14.375 0.398 16.615 719 2HG LYS 92 1HG LYS 92 14.998 -1.168 16.023 720 1HD LYS 92 2HD LYS 92 17.318 -0.278 17.015 721 2HD LYS 92 1HD LYS 92 16.234 0.794 17.868 722 1HE LYS 92 2HE LYS 92 14.950 -1.073 18.822 723 2HE LYS 92 1HE LYS 92 16.094 -2.286 18.090 724 1HZ LYS 92 3HZ LYS 92 17.709 -0.625 19.388 725 2HZ LYS 92 2HZ LYS 92 16.312 -0.580 20.356 726 3HZ LYS 92 1HZ LYS 92 17.089 -2.037 19.997 727 H PHE 93 H PHE 93 18.394 2.196 17.265 728 HA PHE 93 HA PHE 93 20.443 0.435 16.125 729 1HB PHE 93 2HB PHE 93 21.410 3.140 17.128 730 2HB PHE 93 1HB PHE 93 22.265 1.961 16.229 731 HD1 PHE 93 HD2 PHE 93 19.583 4.623 15.636 732 HD2 PHE 93 HD1 PHE 93 22.110 1.546 13.936 733 HE1 PHE 93 HE2 PHE 93 19.158 5.460 13.424 734 HE2 PHE 93 HE1 PHE 93 21.657 2.385 11.676 735 HZ PHE 93 HZ PHE 93 20.165 4.398 11.460 736 H LYS 94 H LYS 94 22.247 0.470 17.391 737 HA LYS 94 HA LYS 94 22.396 0.917 20.207 738 1HB LYS 94 2HB LYS 94 21.216 -1.596 19.236 739 2HB LYS 94 1HB LYS 94 22.851 -1.882 20.165 740 1HG LYS 94 2HG LYS 94 22.069 -0.378 21.903 741 2HG LYS 94 1HG LYS 94 20.646 -0.028 21.131 742 1HD LYS 94 2HD LYS 94 21.344 -2.571 22.559 743 2HD LYS 94 1HD LYS 94 19.990 -1.472 22.766 744 1HE LYS 94 2HE LYS 94 18.758 -3.016 21.730 745 2HE LYS 94 1HE LYS 94 19.547 -2.378 20.208 746 1HZ LYS 94 2HZ LYS 94 20.810 -4.473 21.798 747 2HZ LYS 94 1HZ LYS 94 19.518 -4.874 20.833 748 3HZ LYS 94 3HZ LYS 94 20.886 -4.188 20.115 749 H ARG 95 H ARG 95 24.135 1.822 19.713 750 HA ARG 95 HA ARG 95 26.169 1.180 17.996 751 1HB ARG 95 2HB ARG 95 26.961 1.769 20.857 752 2HB ARG 95 1HB ARG 95 27.644 2.528 19.346 753 1HG ARG 95 2HG ARG 95 25.422 3.460 21.151 754 2HG ARG 95 1HG ARG 95 26.739 4.254 20.397 755 1HD ARG 95 2HD ARG 95 24.226 3.451 18.871 756 2HD ARG 95 1HD ARG 95 24.751 4.982 19.431 757 HE ARG 95 HE ARG 95 25.859 3.496 17.170 758 1HH1 ARG 95 2HH1 ARG 95 26.459 5.913 19.626 759 2HH1 ARG 95 1HH1 ARG 95 27.842 6.681 18.929 760 1HH2 ARG 95 1HH2 ARG 95 27.875 4.583 16.086 761 2HH2 ARG 95 2HH2 ARG 95 28.537 5.936 16.982 762 H VAL 96 H VAL 96 28.423 0.890 19.472 763 HA VAL 96 HA VAL 96 28.407 -1.747 20.864 764 HB VAL 96 HB VAL 96 29.905 -0.641 18.472 765 1HG1 VAL 96 1HG1 VAL 96 31.047 -2.471 20.583 766 2HG1 VAL 96 3HG1 VAL 96 31.768 -2.113 18.969 767 3HG1 VAL 96 2HG1 VAL 96 31.665 -0.844 20.158 768 1HG2 VAL 96 2HG2 VAL 96 28.483 -3.189 19.201 769 2HG2 VAL 96 1HG2 VAL 96 28.412 -2.268 17.699 770 3HG2 VAL 96 3HG2 VAL 96 29.844 -3.254 18.022 771 H ASP 97 H ASP 97 29.485 1.757 20.785 772 HA ASP 97 HA ASP 97 31.727 1.470 22.498 773 1HB ASP 97 2HB ASP 97 31.495 3.507 21.586 774 2HB ASP 97 1HB ASP 97 29.830 3.665 22.122 775 H ASN 98 H ASN 98 28.347 0.986 22.859 776 HA ASN 98 HA ASN 98 28.613 -0.049 25.524 777 1HB ASN 98 2HB ASN 98 28.885 1.941 26.360 778 2HB ASN 98 1HB ASN 98 27.832 2.669 25.205 779 1HD2 ASN 98 2HD2 ASN 98 26.044 0.932 28.502 780 2HD2 ASN 98 1HD2 ASN 98 27.621 0.387 27.941 781 H GLY 99 H GLY 99 26.479 1.431 23.150 782 1HA GLY 99 1HA GLY 99 24.627 0.220 22.062 783 2HA GLY 99 2HA GLY 99 24.208 -0.484 23.525 784 H LYS 100 H LYS 100 24.092 2.226 21.556 785 HA LYS 100 HA LYS 100 22.563 3.898 23.525 786 1HB LYS 100 2HB LYS 100 23.207 4.581 20.694 787 2HB LYS 100 1HB LYS 100 22.440 5.574 21.915 788 1HG LYS 100 2HG LYS 100 25.274 5.373 21.412 789 2HG LYS 100 1HG LYS 100 24.350 6.472 22.474 790 1HD LYS 100 2HD LYS 100 24.296 4.383 24.164 791 2HD LYS 100 1HD LYS 100 25.615 3.845 23.248 792 1HE LYS 100 2HE LYS 100 26.276 5.303 25.244 793 2HE LYS 100 1HE LYS 100 26.926 5.853 23.677 794 1HZ LYS 100 2HZ LYS 100 24.436 7.020 24.381 795 2HZ LYS 100 1HZ LYS 100 25.679 7.330 25.475 796 3HZ LYS 100 3HZ LYS 100 25.836 7.734 23.835 797 H GLU 101 H GLU 101 20.587 5.190 22.093 798 HA GLU 101 HA GLU 101 19.360 3.168 20.410 799 1HB GLU 101 2HB GLU 101 18.094 3.891 23.010 800 2HB GLU 101 1HB GLU 101 17.103 3.677 21.608 801 1HG GLU 101 2HG GLU 101 18.149 1.330 21.247 802 2HG GLU 101 1HG GLU 101 19.025 1.571 22.698 803 H LEU 102 H LEU 102 20.523 5.042 19.450 804 HA LEU 102 HA LEU 102 19.851 7.640 18.949 805 1HB LEU 102 2HB LEU 102 20.322 5.267 17.166 806 2HB LEU 102 1HB LEU 102 20.039 6.877 16.419 807 HG LEU 102 HG LEU 102 21.995 6.945 18.663 808 1HD1 LEU 102 3HD1 LEU 102 22.491 4.677 17.316 809 2HD1 LEU 102 2HD1 LEU 102 23.020 5.807 16.015 810 3HD1 LEU 102 1HD1 LEU 102 23.800 5.778 17.640 811 1HD2 LEU 102 1HD2 LEU 102 21.141 8.452 16.469 812 2HD2 LEU 102 3HD2 LEU 102 22.600 8.833 17.405 813 3HD2 LEU 102 2HD2 LEU 102 22.668 7.837 15.905 814 H ILE 103 H ILE 103 18.481 4.795 17.322 815 HA ILE 103 HA ILE 103 16.461 4.085 16.768 816 HB ILE 103 HB ILE 103 16.092 6.080 18.986 817 1HG1 ILE 103 2HG1 ILE 103 15.900 4.220 19.968 818 2HG1 ILE 103 1HG1 ILE 103 14.231 4.385 19.532 819 1HG2 ILE 103 3HG2 ILE 103 14.565 7.135 17.359 820 2HG2 ILE 103 2HG2 ILE 103 13.585 5.624 17.407 821 3HG2 ILE 103 1HG2 ILE 103 13.865 6.604 18.895 822 1HD1 ILE 103 2HD1 ILE 103 14.986 2.761 17.443 823 2HD1 ILE 103 1HD1 ILE 103 16.441 2.593 18.440 824 3HD1 ILE 103 3HD1 ILE 103 14.908 2.082 19.107 825 H ALA 104 H ALA 104 17.858 6.850 15.776 826 HA ALA 104 HA ALA 104 16.694 8.808 14.610 827 1HB ALA 104 1HB ALA 104 18.852 7.593 13.882 828 2HB ALA 104 3HB ALA 104 17.878 6.842 12.586 829 3HB ALA 104 2HB ALA 104 18.007 8.600 12.654 830 H VAL 105 H VAL 105 14.347 8.172 14.921 831 HA VAL 105 HA VAL 105 13.001 6.468 12.942 832 HB VAL 105 HB VAL 105 11.936 8.711 14.638 833 1HG1 VAL 105 1HG1 VAL 105 10.597 6.720 12.930 834 2HG1 VAL 105 3HG1 VAL 105 10.040 6.520 14.632 835 3HG1 VAL 105 2HG1 VAL 105 9.935 8.074 13.842 836 1HG2 VAL 105 3HG2 VAL 105 12.337 5.842 15.683 837 2HG2 VAL 105 2HG2 VAL 105 13.033 7.401 16.253 838 3HG2 VAL 105 1HG2 VAL 105 11.324 7.074 16.381 839 H ARG 106 H ARG 106 11.222 9.279 13.067 840 HA ARG 106 HA ARG 106 11.739 11.247 11.422 841 1HB ARG 106 2HB ARG 106 12.228 8.876 9.840 842 2HB ARG 106 1HB ARG 106 10.717 9.605 9.253 843 1HG ARG 106 2HG ARG 106 11.562 11.143 8.264 844 2HG ARG 106 1HG ARG 106 12.207 11.833 9.670 845 1HD ARG 106 2HD ARG 106 13.688 9.765 7.906 846 2HD ARG 106 1HD ARG 106 14.005 11.532 7.922 847 HE ARG 106 HE ARG 106 14.352 11.053 10.482 848 1HH1 ARG 106 2HH2 ARG 106 15.384 8.912 7.854 849 2HH1 ARG 106 1HH2 ARG 106 16.719 8.208 8.709 850 1HH2 ARG 106 1HH1 ARG 106 16.027 10.216 11.626 851 2HH2 ARG 106 2HH1 ARG 106 17.080 9.007 10.967 852 H GLU 107 H GLU 107 10.103 8.280 11.945 853 HA GLU 107 HA GLU 107 7.998 7.743 12.555 854 1HB GLU 107 2HB GLU 107 8.619 10.478 13.314 855 2HB GLU 107 1HB GLU 107 6.792 10.158 13.240 856 1HG GLU 107 2HG GLU 107 8.283 8.055 14.702 857 2HG GLU 107 1HG GLU 107 8.511 9.513 15.416 858 H ILE 108 H ILE 108 7.739 11.085 11.606 859 HA ILE 108 HA ILE 108 6.824 12.335 10.083 860 HB ILE 108 HB ILE 108 7.604 10.228 8.592 861 1HG1 ILE 108 2HG1 ILE 108 5.743 12.311 7.489 862 2HG1 ILE 108 1HG1 ILE 108 7.310 12.654 8.277 863 1HG2 ILE 108 3HG2 ILE 108 4.556 10.571 8.097 864 2HG2 ILE 108 2HG2 ILE 108 5.617 9.685 7.053 865 3HG2 ILE 108 1HG2 ILE 108 5.168 9.028 8.672 866 1HD1 ILE 108 2HD1 ILE 108 8.233 10.869 6.583 867 2HD1 ILE 108 1HD1 ILE 108 6.681 11.134 5.707 868 3HD1 ILE 108 3HD1 ILE 108 7.771 12.485 5.931 869 H SER 109 H SER 109 5.224 13.278 10.936 870 HA SER 109 HA SER 109 2.651 12.382 10.102 871 1HB SER 109 2HB SER 109 2.787 10.950 12.121 872 2HB SER 109 1HB SER 109 3.522 12.270 13.010 873 HG SER 109 HG SER 109 1.525 13.267 13.194 874 H GLY 110 H GLY 110 1.594 13.955 9.546 875 1HA GLY 110 1HA GLY 110 0.741 16.019 9.200 876 2HA GLY 110 2HA GLY 110 1.001 16.333 10.946 877 H ASN 111 H ASN 111 2.211 17.155 7.755 878 HA ASN 111 HA ASN 111 4.090 18.261 7.108 879 1HB ASN 111 2HB ASN 111 4.372 20.159 9.176 880 2HB ASN 111 1HB ASN 111 4.043 20.316 7.457 881 1HD2 ASN 111 2HD2 ASN 111 1.294 21.878 9.410 882 2HD2 ASN 111 1HD2 ASN 111 2.981 22.097 9.204 883 H GLU 112 H GLU 112 5.680 16.408 7.543 884 HA GLU 112 HA GLU 112 7.251 17.001 10.062 885 1HB GLU 112 2HB GLU 112 6.801 14.474 10.546 886 2HB GLU 112 1HB GLU 112 5.386 15.494 10.713 887 1HG GLU 112 2HG GLU 112 6.263 14.196 8.062 888 2HG GLU 112 1HG GLU 112 5.447 13.203 9.118 889 H LEU 113 H LEU 113 8.556 15.158 10.569 890 HA LEU 113 HA LEU 113 9.347 12.944 9.242 891 1HB LEU 113 2HB LEU 113 11.187 15.284 8.575 892 2HB LEU 113 1HB LEU 113 11.723 13.566 8.810 893 HG LEU 113 HG LEU 113 10.034 14.591 6.532 894 1HD1 LEU 113 3HD1 LEU 113 12.849 14.160 7.083 895 2HD1 LEU 113 2HD1 LEU 113 12.385 12.900 5.974 896 3HD1 LEU 113 1HD1 LEU 113 12.052 14.632 5.608 897 1HD2 LEU 113 1HD2 LEU 113 9.676 11.962 7.670 898 2HD2 LEU 113 3HD2 LEU 113 9.594 12.336 5.922 899 3HD2 LEU 113 2HD2 LEU 113 11.075 11.734 6.591 900 H ILE 114 H ILE 114 8.808 14.248 11.857 901 HA ILE 114 HA ILE 114 10.680 14.688 13.582 902 HB ILE 114 HB ILE 114 9.330 12.283 14.576 903 1HG1 ILE 114 2HG1 ILE 114 7.955 12.812 12.240 904 2HG1 ILE 114 1HG1 ILE 114 7.431 11.917 13.580 905 1HG2 ILE 114 1HG2 ILE 114 9.910 14.525 15.578 906 2HG2 ILE 114 3HG2 ILE 114 8.152 14.834 15.344 907 3HG2 ILE 114 2HG2 ILE 114 8.693 13.415 16.200 908 1HD1 ILE 114 1HD1 ILE 114 6.995 14.990 13.593 909 2HD1 ILE 114 3HD1 ILE 114 6.122 14.030 12.438 910 3HD1 ILE 114 2HD1 ILE 114 5.830 13.719 14.122 911 H GLN 115 H GLN 115 12.567 14.067 12.855 912 HA GLN 115 HA GLN 115 13.766 11.605 12.223 913 1HB GLN 115 2HB GLN 115 14.510 14.247 13.479 914 2HB GLN 115 1HB GLN 115 15.791 13.036 13.122 915 1HG GLN 115 2HG GLN 115 13.860 13.634 10.871 916 2HG GLN 115 1HG GLN 115 14.769 15.071 11.392 917 1HE2 GLN 115 2HE2 GLN 115 16.672 13.044 8.793 918 2HE2 GLN 115 1HE2 GLN 115 14.974 13.435 8.875 919 H THR 116 H THR 116 12.614 12.810 15.168 920 HA THR 116 HA THR 116 13.127 12.181 17.449 921 HB THR 116 HB THR 116 11.586 10.006 15.985 922 HG1 THR 116 1HG THR 116 10.139 11.790 17.210 923 1HG2 THR 116 2HG2 THR 116 12.366 10.210 18.830 924 2HG2 THR 116 1HG2 THR 116 10.674 10.814 18.742 925 3HG2 THR 116 3HG2 THR 116 11.092 9.218 18.172 926 H TYR 117 H TYR 117 15.611 11.767 16.841 927 HA TYR 117 HA TYR 117 15.855 8.838 17.391 928 1HB TYR 117 2HB TYR 117 18.455 10.259 17.679 929 2HB TYR 117 1HB TYR 117 18.117 8.914 16.845 930 HD1 TYR 117 HD2 TYR 117 16.829 12.260 15.520 931 HD2 TYR 117 HD1 TYR 117 19.623 9.079 15.131 932 HE1 TYR 117 HE2 TYR 117 17.638 13.171 13.371 933 HE2 TYR 117 HE1 TYR 117 20.386 9.953 13.017 934 HH TYR 117 HH TYR 117 20.466 11.982 11.767 935 H THR 118 H THR 118 15.585 8.347 19.270 936 HA THR 118 HA THR 118 16.239 10.183 21.502 937 HB THR 118 HB THR 118 14.308 7.906 21.623 938 HG1 THR 118 1HG THR 118 13.119 10.144 21.812 939 1HG2 THR 118 2HG2 THR 118 15.592 8.821 23.761 940 2HG2 THR 118 1HG2 THR 118 14.696 10.330 23.557 941 3HG2 THR 118 3HG2 THR 118 13.799 8.809 23.810 942 H TYR 119 H TYR 119 18.648 9.218 21.133 943 HA TYR 119 HA TYR 119 19.109 6.465 21.993 944 1HB TYR 119 2HB TYR 119 21.279 6.905 21.904 945 2HB TYR 119 1HB TYR 119 20.723 7.949 20.613 946 HD1 TYR 119 HD2 TYR 119 20.131 10.499 21.669 947 HD2 TYR 119 HD1 TYR 119 22.764 7.615 23.414 948 HE1 TYR 119 HE2 TYR 119 21.163 12.238 22.990 949 HE2 TYR 119 HE1 TYR 119 23.834 9.338 24.779 950 HH TYR 119 HH TYR 119 23.128 11.683 25.670 951 H GLU 120 H GLU 120 18.459 5.740 23.755 952 HA GLU 120 HA GLU 120 18.303 5.452 26.035 953 1HB GLU 120 2HB GLU 120 20.728 7.029 26.573 954 2HB GLU 120 1HB GLU 120 20.273 5.253 26.701 955 1HG GLU 120 2HG GLU 120 20.574 5.130 24.263 956 2HG GLU 120 1HG GLU 120 21.357 6.729 24.277 957 H GLY 121 H GLY 121 16.790 7.639 24.987 958 1HA GLY 121 1HA GLY 121 15.273 8.931 26.072 959 2HA GLY 121 2HA GLY 121 16.196 9.064 27.483 960 H VAL 122 H VAL 122 17.132 9.840 24.068 961 HA VAL 122 HA VAL 122 16.844 12.719 24.706 962 HB VAL 122 HB VAL 122 19.432 11.340 24.000 963 1HG1 VAL 122 3HG1 VAL 122 19.389 13.637 22.924 964 2HG1 VAL 122 2HG1 VAL 122 19.029 14.381 24.519 965 3HG1 VAL 122 1HG1 VAL 122 20.569 13.566 24.218 966 1HG2 VAL 122 2HG2 VAL 122 18.530 12.729 26.610 967 2HG2 VAL 122 1HG2 VAL 122 19.189 11.066 26.395 968 3HG2 VAL 122 3HG2 VAL 122 20.216 12.467 26.271 969 H GLU 123 H GLU 123 15.242 12.247 23.059 970 HA GLU 123 HA GLU 123 15.645 11.587 20.280 971 1HB GLU 123 2HB GLU 123 13.403 12.215 21.825 972 2HB GLU 123 1HB GLU 123 13.788 13.796 21.429 973 1HG GLU 123 2HG GLU 123 13.808 13.163 18.922 974 2HG GLU 123 1HG GLU 123 13.572 11.590 19.325 975 H ALA 124 H ALA 124 16.199 12.661 18.595 976 HA ALA 124 HA ALA 124 16.593 15.563 19.014 977 1HB ALA 124 1HB ALA 124 18.634 13.663 17.777 978 2HB ALA 124 3HB ALA 124 18.733 15.429 17.470 979 3HB ALA 124 2HB ALA 124 18.902 14.737 19.143 980 H LYS 125 H LYS 125 15.431 16.638 17.803 981 HA LYS 125 HA LYS 125 15.162 15.907 14.996 982 1HB LYS 125 2HB LYS 125 12.438 16.180 15.757 983 2HB LYS 125 1HB LYS 125 13.287 14.870 14.976 984 1HG LYS 125 2HG LYS 125 12.416 13.906 17.209 985 2HG LYS 125 1HG LYS 125 14.097 14.066 17.277 986 1HD LYS 125 2HD LYS 125 12.661 14.935 19.203 987 2HD LYS 125 1HD LYS 125 13.921 15.975 18.745 988 1HE LYS 125 2HE LYS 125 12.400 17.455 17.451 989 2HE LYS 125 1HE LYS 125 11.073 16.262 17.617 990 1HZ LYS 125 2HZ LYS 125 11.405 16.727 20.148 991 2HZ LYS 125 1HZ LYS 125 12.154 18.131 19.579 992 3HZ LYS 125 3HZ LYS 125 10.530 17.783 19.193 993 H ARG 126 H ARG 126 13.684 17.355 13.898 994 HA ARG 126 HA ARG 126 12.760 19.859 15.075 995 1HB ARG 126 2HB ARG 126 15.157 20.035 13.326 996 2HB ARG 126 1HB ARG 126 13.865 21.340 13.492 997 1HG ARG 126 2HG ARG 126 15.407 20.218 15.813 998 2HG ARG 126 1HG ARG 126 15.728 21.878 15.052 999 1HD ARG 126 2HD ARG 126 13.283 20.939 16.564 1000 2HD ARG 126 1HD ARG 126 14.403 22.324 16.810 1001 HE ARG 126 HE ARG 126 12.245 22.204 14.848 1002 1HH1 ARG 126 1HH2 ARG 126 15.212 23.976 15.873 1003 2HH1 ARG 126 2HH2 ARG 126 14.731 25.363 14.965 1004 1HH2 ARG 126 1HH1 ARG 126 11.726 24.082 13.701 1005 2HH2 ARG 126 2HH1 ARG 126 12.859 25.386 13.821 1006 H ILE 127 H ILE 127 13.973 18.206 12.219 1007 HA ILE 127 HA ILE 127 12.345 17.061 10.779 1008 HB ILE 127 HB ILE 127 10.852 19.715 10.918 1009 1HG1 ILE 127 2HG1 ILE 127 9.058 18.315 11.603 1010 2HG1 ILE 127 1HG1 ILE 127 9.830 16.867 10.944 1011 1HG2 ILE 127 3HG2 ILE 127 11.083 19.228 8.605 1012 2HG2 ILE 127 2HG2 ILE 127 10.411 17.579 8.896 1013 3HG2 ILE 127 1HG2 ILE 127 9.422 19.007 9.054 1014 1HD1 ILE 127 3HD1 ILE 127 11.608 17.021 12.877 1015 2HD1 ILE 127 2HD1 ILE 127 10.411 18.086 13.701 1016 3HD1 ILE 127 1HD1 ILE 127 10.017 16.453 13.269 1017 H PHE 128 H PHE 128 12.122 16.943 8.809 1018 HA PHE 128 HA PHE 128 14.096 17.319 7.027 1019 1HB PHE 128 2HB PHE 128 12.387 16.845 5.332 1020 2HB PHE 128 1HB PHE 128 11.729 16.062 6.715 1021 HD1 PHE 128 HD2 PHE 128 11.529 19.235 4.789 1022 HD2 PHE 128 HD1 PHE 128 9.602 16.656 7.468 1023 HE1 PHE 128 HE2 PHE 128 9.496 20.513 4.397 1024 HE2 PHE 128 HE1 PHE 128 7.424 17.896 7.149 1025 HZ PHE 128 HZ PHE 128 7.389 19.840 5.592 1026 H LYS 129 H LYS 129 14.286 18.167 5.250 1027 HA LYS 129 HA LYS 129 13.337 20.929 4.984 1028 1HB LYS 129 2HB LYS 129 15.809 20.703 5.503 1029 2HB LYS 129 1HB LYS 129 15.976 20.533 3.738 1030 1HG LYS 129 2HG LYS 129 14.187 22.639 5.139 1031 2HG LYS 129 1HG LYS 129 15.877 22.869 4.998 1032 1HD LYS 129 2HD LYS 129 15.509 23.737 2.876 1033 2HD LYS 129 1HD LYS 129 14.823 22.182 2.403 1034 1HE LYS 129 2HE LYS 129 12.596 23.019 3.364 1035 2HE LYS 129 1HE LYS 129 13.302 24.573 3.643 1036 1HZ LYS 129 2HZ LYS 129 13.270 23.414 0.948 1037 2HZ LYS 129 1HZ LYS 129 11.967 24.294 1.615 1038 3HZ LYS 129 3HZ LYS 129 13.484 25.035 1.440 1039 H LYS 130 H LYS 130 13.053 17.912 3.956 1040 HA LYS 130 HA LYS 130 12.305 16.944 1.960 1041 1HB LYS 130 2HB LYS 130 10.493 17.225 2.485 1042 2HB LYS 130 1HB LYS 130 10.472 19.029 2.684 1043 1HG LYS 130 2HG LYS 130 10.680 17.597 0.037 1044 2HG LYS 130 1HG LYS 130 9.203 17.423 0.863 1045 1HD LYS 130 2HD LYS 130 10.135 20.289 0.587 1046 2HD LYS 130 1HD LYS 130 9.677 19.512 -0.936 1047 1HE LYS 130 2HE LYS 130 7.401 19.464 -0.398 1048 2HE LYS 130 1HE LYS 130 7.729 18.972 1.251 1049 1HZ LYS 130 3HZ LYS 130 8.584 21.523 1.223 1050 2HZ LYS 130 2HZ LYS 130 7.342 21.566 0.082 1051 3HZ LYS 130 1HZ LYS 130 6.993 21.043 1.642 1052 H GLU 131 H GLU 131 12.362 16.815 0.016 1053 HA GLU 131 HA GLU 131 13.065 19.111 -1.589 1054 1HB GLU 131 2HB GLU 131 15.024 18.134 -0.374 1055 2HB GLU 131 1HB GLU 131 15.093 16.963 -1.214 1056 1HG GLU 131 2HG GLU 131 16.532 19.195 -1.697 1057 2HG GLU 131 1HG GLU 131 16.379 17.963 -2.930 No H/Q in entry = 1057 Start of MODEL 5 1 1H ALA 1 2H ALA 1 3.402 8.065 3.085 2 2H ALA 1 1H ALA 1 3.772 6.993 4.315 3 3H ALA 1 3H ALA 1 2.359 7.811 4.320 4 HA ALA 1 HA ALA 1 3.298 9.898 4.741 5 1HB ALA 1 1HB ALA 1 3.260 7.640 6.461 6 2HB ALA 1 3HB ALA 1 4.945 8.135 6.533 7 3HB ALA 1 2HB ALA 1 3.602 9.301 6.918 8 H PHE 2 H PHE 2 6.182 7.586 5.179 9 HA PHE 2 HA PHE 2 7.808 9.842 4.159 10 1HB PHE 2 2HB PHE 2 9.551 7.758 4.169 11 2HB PHE 2 1HB PHE 2 9.382 9.175 5.299 12 HD1 PHE 2 HD2 PHE 2 8.685 5.616 4.625 13 HD2 PHE 2 HD1 PHE 2 8.381 8.699 7.596 14 HE1 PHE 2 HE2 PHE 2 8.134 3.904 6.246 15 HE2 PHE 2 HE1 PHE 2 7.837 7.038 9.242 16 HZ PHE 2 HZ PHE 2 7.686 4.554 8.603 17 H ASP 3 H ASP 3 7.616 10.276 2.111 18 HA ASP 3 HA ASP 3 8.670 8.456 -0.003 19 1HB ASP 3 2HB ASP 3 7.042 9.103 -1.590 20 2HB ASP 3 1HB ASP 3 6.313 8.135 -0.209 21 H GLY 4 H GLY 4 9.648 9.792 -1.782 22 1HA GLY 4 1HA GLY 4 10.121 12.115 -2.574 23 2HA GLY 4 2HA GLY 4 9.368 12.671 -1.181 24 H THR 5 H THR 5 10.976 14.096 -1.448 25 HA THR 5 HA THR 5 13.699 13.875 -0.286 26 HB THR 5 HB THR 5 13.876 15.957 -0.819 27 HG1 THR 5 1HG THR 5 11.237 16.051 -1.835 28 1HG2 THR 5 1HG2 THR 5 13.325 13.893 -2.761 29 2HG2 THR 5 3HG2 THR 5 12.261 15.248 -3.284 30 3HG2 THR 5 2HG2 THR 5 14.048 15.440 -3.150 31 H TRP 6 H TRP 6 14.257 14.977 1.308 32 HA TRP 6 HA TRP 6 12.495 15.982 3.425 33 1HB TRP 6 2HB TRP 6 13.555 13.108 3.040 34 2HB TRP 6 1HB TRP 6 13.513 13.839 4.605 35 HD1 TRP 6 HD1 TRP 6 11.605 11.270 3.293 36 HE1 TRP 6 HE1 TRP 6 9.110 11.228 3.581 37 HE3 TRP 6 HE3 TRP 6 10.834 16.213 4.474 38 HZ2 TRP 6 HZ2 TRP 6 7.045 12.981 4.201 39 HZ3 TRP 6 HZ3 TRP 6 8.495 16.866 4.910 40 HH2 TRP 6 HH2 TRP 6 6.637 15.249 4.760 41 H LYS 7 H LYS 7 14.020 16.324 5.353 42 HA LYS 7 HA LYS 7 16.843 15.700 4.726 43 1HB LYS 7 2HB LYS 7 16.261 18.589 5.148 44 2HB LYS 7 1HB LYS 7 17.599 17.825 4.427 45 1HG LYS 7 2HG LYS 7 16.308 17.026 2.564 46 2HG LYS 7 1HG LYS 7 14.842 17.582 2.970 47 1HD LYS 7 2HD LYS 7 15.629 18.973 1.239 48 2HD LYS 7 1HD LYS 7 16.098 20.046 2.470 49 1HE LYS 7 2HE LYS 7 18.145 17.941 1.921 50 2HE LYS 7 1HE LYS 7 17.924 19.153 0.666 51 1HZ LYS 7 1HZ LYS 7 18.202 20.875 2.385 52 2HZ LYS 7 3HZ LYS 7 18.609 19.650 3.486 53 3HZ LYS 7 2HZ LYS 7 19.580 19.885 2.160 54 H VAL 8 H VAL 8 17.430 18.046 6.533 55 HA VAL 8 HA VAL 8 15.867 17.493 8.930 56 HB VAL 8 HB VAL 8 18.680 16.682 8.822 57 1HG1 VAL 8 3HG1 VAL 8 17.368 18.209 10.929 58 2HG1 VAL 8 2HG1 VAL 8 17.559 16.598 11.552 59 3HG1 VAL 8 1HG1 VAL 8 18.982 17.578 11.036 60 1HG2 VAL 8 3HG2 VAL 8 16.158 15.310 9.715 61 2HG2 VAL 8 2HG2 VAL 8 17.303 14.874 8.434 62 3HG2 VAL 8 1HG2 VAL 8 17.775 14.672 10.134 63 H ASP 9 H ASP 9 15.473 19.509 7.717 64 HA ASP 9 HA ASP 9 16.811 21.790 7.145 65 1HB ASP 9 2HB ASP 9 14.312 20.987 7.543 66 2HB ASP 9 1HB ASP 9 14.503 21.789 9.024 67 H ARG 10 H ARG 10 15.618 20.718 10.280 68 HA ARG 10 HA ARG 10 17.480 22.749 11.541 69 1HB ARG 10 2HB ARG 10 15.474 22.493 13.309 70 2HB ARG 10 1HB ARG 10 15.778 23.839 12.264 71 1HG ARG 10 2HG ARG 10 14.066 21.589 11.104 72 2HG ARG 10 1HG ARG 10 13.301 22.598 12.284 73 1HD ARG 10 2HD ARG 10 14.715 23.949 9.981 74 2HD ARG 10 1HD ARG 10 13.059 23.318 9.815 75 HE ARG 10 HE ARG 10 13.568 25.048 12.092 76 1HH1 ARG 10 1HH1 ARG 10 11.922 24.783 8.883 77 2HH1 ARG 10 2HH1 ARG 10 10.980 26.178 9.250 78 1HH2 ARG 10 2HH2 ARG 10 12.289 26.796 12.352 79 2HH2 ARG 10 1HH2 ARG 10 11.141 27.345 11.158 80 H ASN 11 H ASN 11 18.173 22.078 13.769 81 HA ASN 11 HA ASN 11 17.533 19.237 14.268 82 1HB ASN 11 2HB ASN 11 20.250 19.058 14.499 83 2HB ASN 11 1HB ASN 11 19.394 18.634 13.046 84 1HD2 ASN 11 2HD2 ASN 11 21.732 20.622 11.349 85 2HD2 ASN 11 1HD2 ASN 11 21.211 18.984 11.744 86 H GLU 12 H GLU 12 16.712 19.532 16.083 87 HA GLU 12 HA GLU 12 18.090 21.136 18.170 88 1HB GLU 12 2HB GLU 12 16.273 21.226 19.488 89 2HB GLU 12 1HB GLU 12 15.664 21.470 17.840 90 1HG GLU 12 2HG GLU 12 14.099 19.821 18.257 91 2HG GLU 12 1HG GLU 12 15.381 18.665 18.342 92 H ASN 13 H ASN 13 18.834 20.200 20.035 93 HA ASN 13 HA ASN 13 19.643 18.564 21.514 94 1HB ASN 13 2HB ASN 13 17.229 17.359 20.424 95 2HB ASN 13 1HB ASN 13 18.415 16.212 20.975 96 1HD2 ASN 13 2HD2 ASN 13 16.186 16.840 23.779 97 2HD2 ASN 13 1HD2 ASN 13 16.161 16.071 22.224 98 H TYR 14 H TYR 14 20.137 18.669 18.268 99 HA TYR 14 HA TYR 14 21.108 16.090 17.513 100 1HB TYR 14 2HB TYR 14 19.940 17.821 16.263 101 2HB TYR 14 1HB TYR 14 21.476 18.675 16.126 102 HD1 TYR 14 HD2 TYR 14 23.409 16.422 15.607 103 HD2 TYR 14 HD1 TYR 14 19.420 17.084 14.187 104 HE1 TYR 14 HE2 TYR 14 23.975 15.105 13.674 105 HE2 TYR 14 HE1 TYR 14 19.932 15.744 12.185 106 HH TYR 14 HH TYR 14 22.801 13.852 11.827 107 H GLU 15 H GLU 15 22.776 19.226 18.350 108 HA GLU 15 HA GLU 15 25.442 18.454 17.722 109 1HB GLU 15 2HB GLU 15 25.159 20.672 18.023 110 2HB GLU 15 1HB GLU 15 24.323 20.405 19.610 111 1HG GLU 15 2HG GLU 15 27.086 19.308 19.516 112 2HG GLU 15 1HG GLU 15 27.014 21.067 19.355 113 H LYS 16 H LYS 16 23.635 18.176 20.816 114 HA LYS 16 HA LYS 16 25.818 16.936 22.293 115 1HB LYS 16 2HB LYS 16 23.969 18.549 23.045 116 2HB LYS 16 1HB LYS 16 23.063 17.044 23.291 117 1HG LYS 16 2HG LYS 16 24.956 16.153 24.627 118 2HG LYS 16 1HG LYS 16 25.830 17.720 24.451 119 1HD LYS 16 2HD LYS 16 23.095 18.191 25.258 120 2HD LYS 16 1HD LYS 16 23.738 17.064 26.365 121 1HE LYS 16 2HE LYS 16 25.738 18.653 26.726 122 2HE LYS 16 1HE LYS 16 24.886 19.863 25.732 123 1HZ LYS 16 3HZ LYS 16 23.231 18.859 27.818 124 2HZ LYS 16 2HZ LYS 16 24.652 19.534 28.388 125 3HZ LYS 16 1HZ LYS 16 23.626 20.411 27.345 126 H PHE 17 H PHE 17 23.145 15.954 20.264 127 HA PHE 17 HA PHE 17 22.584 13.399 21.297 128 1HB PHE 17 2HB PHE 17 20.886 14.083 19.947 129 2HB PHE 17 1HB PHE 17 21.954 15.080 18.942 130 HD1 PHE 17 HD1 PHE 17 20.776 11.664 19.547 131 HD2 PHE 17 HD2 PHE 17 22.570 14.289 16.672 132 HE1 PHE 17 HE1 PHE 17 20.458 9.963 17.813 133 HE2 PHE 17 HE2 PHE 17 22.224 12.584 14.966 134 HZ PHE 17 HZ PHE 17 21.185 10.403 15.468 135 H MET 18 H MET 18 24.702 14.472 18.725 136 HA MET 18 HA MET 18 25.726 11.899 17.806 137 1HB MET 18 2HB MET 18 26.108 14.820 17.453 138 2HB MET 18 1HB MET 18 27.569 13.810 17.139 139 1HG MET 18 2HG MET 18 26.040 12.297 15.735 140 2HG MET 18 1HG MET 18 24.781 13.519 15.835 141 1HE MET 18 2HE MET 18 25.915 12.016 13.736 142 2HE MET 18 1HE MET 18 25.041 13.245 12.742 143 3HE MET 18 3HE MET 18 26.724 12.871 12.400 144 H GLU 19 H GLU 19 26.716 14.614 19.764 145 HA GLU 19 HA GLU 19 29.294 14.200 20.371 146 1HB GLU 19 2HB GLU 19 27.132 15.694 21.383 147 2HB GLU 19 1HB GLU 19 27.601 14.756 22.768 148 1HG GLU 19 2HG GLU 19 29.012 16.473 23.141 149 2HG GLU 19 1HG GLU 19 30.056 15.360 22.271 150 H LYS 20 H LYS 20 26.538 12.946 22.245 151 HA LYS 20 HA LYS 20 27.943 11.803 24.355 152 1HB LYS 20 2HB LYS 20 25.221 11.261 23.326 153 2HB LYS 20 1HB LYS 20 25.919 10.768 24.908 154 1HG LYS 20 2HG LYS 20 26.128 13.635 24.157 155 2HG LYS 20 1HG LYS 20 24.577 13.005 24.885 156 1HD LYS 20 2HD LYS 20 25.962 11.810 26.591 157 2HD LYS 20 1HD LYS 20 27.317 12.727 26.024 158 1HE LYS 20 2HE LYS 20 26.618 14.679 27.121 159 2HE LYS 20 1HE LYS 20 24.875 14.328 26.754 160 1HZ LYS 20 2HZ LYS 20 26.358 12.519 28.529 161 2HZ LYS 20 1HZ LYS 20 26.017 14.047 29.137 162 3HZ LYS 20 3HZ LYS 20 24.764 13.051 28.622 163 H MET 21 H MET 21 27.429 10.430 21.118 164 HA MET 21 HA MET 21 27.909 7.671 22.073 165 1HB MET 21 2HB MET 21 28.083 8.214 19.177 166 2HB MET 21 1HB MET 21 27.393 6.792 20.066 167 1HG MET 21 2HG MET 21 25.742 9.044 20.692 168 2HG MET 21 1HG MET 21 26.149 9.083 18.943 169 1HE MET 21 1HE MET 21 23.439 9.211 19.560 170 2HE MET 21 3HE MET 21 22.519 7.728 19.877 171 3HE MET 21 2HE MET 21 23.605 8.387 21.171 172 H GLY 22 H GLY 22 29.716 10.323 21.563 173 1HA GLY 22 1HA GLY 22 32.001 10.307 22.110 174 2HA GLY 22 2HA GLY 22 32.300 8.854 21.150 175 H ILE 23 H ILE 23 30.276 11.601 20.212 176 HA ILE 23 HA ILE 23 31.987 11.986 17.815 177 HB ILE 23 HB ILE 23 29.411 13.091 18.820 178 1HG1 ILE 23 2HG1 ILE 23 28.396 11.918 17.140 179 2HG1 ILE 23 1HG1 ILE 23 29.880 11.784 16.134 180 1HG2 ILE 23 3HG2 ILE 23 30.911 14.871 17.481 181 2HG2 ILE 23 2HG2 ILE 23 30.651 13.784 16.087 182 3HG2 ILE 23 1HG2 ILE 23 29.294 14.612 16.843 183 1HD1 ILE 23 1HD1 ILE 23 30.856 10.161 17.801 184 2HD1 ILE 23 3HD1 ILE 23 29.388 10.210 18.745 185 3HD1 ILE 23 2HD1 ILE 23 29.306 9.617 17.092 186 H ASN 24 H ASN 24 31.235 13.783 20.817 187 HA ASN 24 HA ASN 24 32.558 15.451 21.886 188 1HB ASN 24 2HB ASN 24 34.568 14.575 20.081 189 2HB ASN 24 1HB ASN 24 34.714 15.945 21.204 190 1HD2 ASN 24 2HD2 ASN 24 34.834 14.099 24.185 191 2HD2 ASN 24 1HD2 ASN 24 34.670 15.639 23.444 192 H VAL 25 H VAL 25 33.751 17.578 21.498 193 HA VAL 25 HA VAL 25 32.039 19.170 19.843 194 HB VAL 25 HB VAL 25 32.809 21.036 20.394 195 1HG1 VAL 25 3HG1 VAL 25 32.167 18.967 22.544 196 2HG1 VAL 25 2HG1 VAL 25 32.328 20.685 22.983 197 3HG1 VAL 25 1HG1 VAL 25 31.128 20.172 21.774 198 1HG2 VAL 25 3HG2 VAL 25 35.298 20.227 20.781 199 2HG2 VAL 25 2HG2 VAL 25 34.659 21.321 22.052 200 3HG2 VAL 25 1HG2 VAL 25 34.785 19.598 22.362 201 H VAL 26 H VAL 26 35.132 17.781 18.976 202 HA VAL 26 HA VAL 26 36.245 19.652 17.260 203 HB VAL 26 HB VAL 26 37.255 17.899 16.029 204 1HG1 VAL 26 3HG1 VAL 26 37.518 18.425 18.920 205 2HG1 VAL 26 2HG1 VAL 26 38.140 16.821 18.470 206 3HG1 VAL 26 1HG1 VAL 26 38.751 18.258 17.671 207 1HG2 VAL 26 2HG2 VAL 26 35.386 16.228 17.881 208 2HG2 VAL 26 1HG2 VAL 26 35.618 16.053 16.150 209 3HG2 VAL 26 3HG2 VAL 26 36.905 15.533 17.227 210 H LYS 27 H LYS 27 33.503 17.584 16.815 211 HA LYS 27 HA LYS 27 33.153 18.124 13.967 212 1HB LYS 27 2HB LYS 27 31.328 16.792 15.936 213 2HB LYS 27 1HB LYS 27 31.169 16.898 14.176 214 1HG LYS 27 2HG LYS 27 33.554 15.580 15.632 215 2HG LYS 27 1HG LYS 27 32.185 14.667 15.219 216 1HD LYS 27 2HD LYS 27 32.450 15.056 12.841 217 2HD LYS 27 1HD LYS 27 33.779 16.149 13.043 218 1HE LYS 27 2HE LYS 27 34.295 13.438 14.294 219 2HE LYS 27 1HE LYS 27 34.148 13.456 12.569 220 1HZ LYS 27 2HZ LYS 27 35.738 15.543 12.874 221 2HZ LYS 27 1HZ LYS 27 36.260 14.548 14.147 222 3HZ LYS 27 3HZ LYS 27 36.203 13.942 12.574 223 H ARG 28 H ARG 28 32.106 19.384 17.092 224 HA ARG 28 HA ARG 28 29.822 20.827 16.444 225 1HB ARG 28 2HB ARG 28 30.591 20.574 18.683 226 2HB ARG 28 1HB ARG 28 31.873 21.825 18.388 227 1HG ARG 28 2HG ARG 28 30.439 23.552 18.134 228 2HG ARG 28 1HG ARG 28 29.108 22.521 17.618 229 1HD ARG 28 2HD ARG 28 28.335 23.163 19.722 230 2HD ARG 28 1HD ARG 28 28.919 21.633 20.017 231 HE ARG 28 HE ARG 28 31.104 23.143 20.737 232 1HH1 ARG 28 2HH1 ARG 28 27.718 23.337 21.524 233 2HH1 ARG 28 1HH1 ARG 28 27.986 24.065 23.105 234 1HH2 ARG 28 2HH2 ARG 28 31.455 24.002 22.667 235 2HH2 ARG 28 1HH2 ARG 28 30.244 24.439 23.804 236 H LYS 29 H LYS 29 33.157 21.523 15.711 237 HA LYS 29 HA LYS 29 33.386 24.282 15.401 238 1HB LYS 29 2HB LYS 29 34.451 22.215 13.510 239 2HB LYS 29 1HB LYS 29 34.834 23.964 13.567 240 1HG LYS 29 2HG LYS 29 36.028 21.791 14.963 241 2HG LYS 29 1HG LYS 29 36.443 23.492 15.073 242 1HD LYS 29 2HD LYS 29 34.195 23.232 16.840 243 2HD LYS 29 1HD LYS 29 34.982 21.695 16.953 244 1HE LYS 29 2HE LYS 29 36.304 22.718 18.541 245 2HE LYS 29 1HE LYS 29 37.122 23.553 17.197 246 1HZ LYS 29 1HZ LYS 29 34.932 25.033 17.491 247 2HZ LYS 29 3HZ LYS 29 35.137 24.553 19.080 248 3HZ LYS 29 2HZ LYS 29 36.371 25.370 18.260 249 H LEU 30 H LEU 30 31.364 22.091 13.517 250 HA LEU 30 HA LEU 30 30.599 24.362 11.712 251 1HB LEU 30 2HB LEU 30 30.381 21.366 11.470 252 2HB LEU 30 1HB LEU 30 29.564 22.489 10.413 253 HG LEU 30 HG LEU 30 32.627 22.371 10.839 254 1HD1 LEU 30 2HD1 LEU 30 30.698 20.821 9.176 255 2HD1 LEU 30 1HD1 LEU 30 32.106 21.447 8.249 256 3HD1 LEU 30 3HD1 LEU 30 32.332 20.378 9.654 257 1HD2 LEU 30 2HD2 LEU 30 31.554 24.618 9.987 258 2HD2 LEU 30 1HD2 LEU 30 32.819 23.884 8.980 259 3HD2 LEU 30 3HD2 LEU 30 31.140 23.692 8.501 260 H GLY 31 H GLY 31 29.448 24.969 13.814 261 1HA GLY 31 1HA GLY 31 27.711 24.639 15.374 262 2HA GLY 31 2HA GLY 31 27.019 25.504 13.984 263 H ALA 32 H ALA 32 25.505 24.586 12.723 264 HA ALA 32 HA ALA 32 23.860 22.511 13.846 265 1HB ALA 32 3HB ALA 32 23.162 24.397 12.174 266 2HB ALA 32 2HB ALA 32 23.626 23.144 10.962 267 3HB ALA 32 1HB ALA 32 22.389 22.809 12.207 268 H HIS 33 H HIS 33 24.446 20.413 13.930 269 HA HIS 33 HA HIS 33 26.505 19.234 12.319 270 1HB HIS 33 2HB HIS 33 24.367 18.251 14.224 271 2HB HIS 33 1HB HIS 33 25.353 17.053 13.299 272 HD1 HIS 33 HD1 HIS 33 25.717 19.887 15.790 273 HD2 HIS 33 HD2 HIS 33 27.889 16.641 14.152 274 HE1 HIS 33 HE1 HIS 33 27.954 19.644 17.119 275 HE2 HIS 33 HE2 HIS 33 29.224 17.716 16.130 276 H ASP 34 H ASP 34 26.273 18.869 10.280 277 HA ASP 34 HA ASP 34 25.556 18.179 8.208 278 1HB ASP 34 2HB ASP 34 23.712 16.137 8.833 279 2HB ASP 34 1HB ASP 34 25.267 16.196 7.980 280 H ASN 35 H ASN 35 24.062 17.890 6.708 281 HA ASN 35 HA ASN 35 21.321 18.890 6.998 282 1HB ASN 35 2HB ASN 35 23.549 20.497 6.234 283 2HB ASN 35 1HB ASN 35 22.681 20.211 4.727 284 1HD2 ASN 35 2HD2 ASN 35 20.288 22.633 5.195 285 2HD2 ASN 35 1HD2 ASN 35 21.295 21.697 4.132 286 H LEU 36 H LEU 36 20.941 16.607 6.385 287 HA LEU 36 HA LEU 36 21.927 15.917 3.644 288 1HB LEU 36 2HB LEU 36 22.296 13.860 4.377 289 2HB LEU 36 1HB LEU 36 22.460 14.741 5.878 290 HG LEU 36 HG LEU 36 19.812 13.488 5.198 291 1HD1 LEU 36 2HD1 LEU 36 22.253 12.045 6.028 292 2HD1 LEU 36 1HD1 LEU 36 20.781 11.624 6.932 293 3HD1 LEU 36 3HD1 LEU 36 20.752 11.502 5.189 294 1HD2 LEU 36 2HD2 LEU 36 20.041 15.143 7.217 295 2HD2 LEU 36 1HD2 LEU 36 19.579 13.535 7.712 296 3HD2 LEU 36 3HD2 LEU 36 21.254 14.018 7.925 297 H LYS 37 H LYS 37 20.385 15.357 2.178 298 HA LYS 37 HA LYS 37 17.603 15.703 2.986 299 1HB LYS 37 2HB LYS 37 18.631 16.211 0.562 300 2HB LYS 37 1HB LYS 37 18.489 14.463 0.384 301 1HG LYS 37 2HG LYS 37 16.078 14.674 0.841 302 2HG LYS 37 1HG LYS 37 16.244 16.472 0.592 303 1HD LYS 37 2HD LYS 37 16.895 14.118 -1.252 304 2HD LYS 37 1HD LYS 37 15.703 15.346 -1.582 305 1HE LYS 37 2HE LYS 37 17.929 16.959 -1.468 306 2HE LYS 37 1HE LYS 37 18.754 15.416 -1.617 307 1HZ LYS 37 3HZ LYS 37 16.777 16.166 -3.626 308 2HZ LYS 37 2HZ LYS 37 18.412 16.644 -3.691 309 3HZ LYS 37 1HZ LYS 37 17.974 15.003 -3.636 310 H LEU 38 H LEU 38 17.244 13.855 4.543 311 HA LEU 38 HA LEU 38 18.202 11.255 4.334 312 1HB LEU 38 2HB LEU 38 15.949 12.586 5.707 313 2HB LEU 38 1HB LEU 38 15.237 11.387 4.773 314 HG LEU 38 HG LEU 38 15.520 10.351 6.681 315 1HD1 LEU 38 1HD1 LEU 38 16.406 9.014 4.715 316 2HD1 LEU 38 3HD1 LEU 38 18.056 9.478 5.256 317 3HD1 LEU 38 2HD1 LEU 38 16.970 8.479 6.285 318 1HD2 LEU 38 1HD2 LEU 38 17.698 12.226 7.036 319 2HD2 LEU 38 3HD2 LEU 38 17.330 10.994 8.218 320 3HD2 LEU 38 2HD2 LEU 38 18.535 10.664 6.918 321 H THR 39 H THR 39 15.871 13.156 2.699 322 HA THR 39 HA THR 39 14.256 12.918 1.250 323 HB THR 39 HB THR 39 15.886 10.717 -0.102 324 HG1 THR 39 1HG THR 39 17.222 12.252 0.895 325 1HG2 THR 39 3HG2 THR 39 13.861 12.076 -1.380 326 2HG2 THR 39 2HG2 THR 39 15.117 13.356 -1.459 327 3HG2 THR 39 1HG2 THR 39 15.422 11.802 -2.206 328 H ILE 40 H ILE 40 14.190 9.894 -0.027 329 HA ILE 40 HA ILE 40 13.957 7.770 1.343 330 HB ILE 40 HB ILE 40 11.934 9.478 2.713 331 1HG1 ILE 40 2HG1 ILE 40 13.555 7.217 3.921 332 2HG1 ILE 40 1HG1 ILE 40 14.386 8.667 3.471 333 1HG2 ILE 40 3HG2 ILE 40 11.740 6.559 1.999 334 2HG2 ILE 40 2HG2 ILE 40 11.227 7.020 3.596 335 3HG2 ILE 40 1HG2 ILE 40 10.424 7.749 2.175 336 1HD1 ILE 40 3HD1 ILE 40 12.754 10.101 4.848 337 2HD1 ILE 40 2HD1 ILE 40 11.987 8.616 5.350 338 3HD1 ILE 40 1HD1 ILE 40 13.693 8.932 5.827 339 H THR 41 H THR 41 13.058 6.263 0.234 340 HA THR 41 HA THR 41 10.513 6.646 -1.254 341 HB THR 41 HB THR 41 12.717 5.612 -2.885 342 HG1 THR 41 1HG THR 41 13.176 7.546 -3.575 343 1HG2 THR 41 2HG2 THR 41 9.992 5.928 -3.198 344 2HG2 THR 41 1HG2 THR 41 10.517 7.486 -3.855 345 3HG2 THR 41 3HG2 THR 41 11.074 6.009 -4.597 346 H GLN 42 H GLN 42 9.490 5.058 -0.315 347 HA GLN 42 HA GLN 42 10.439 2.595 0.723 348 1HB GLN 42 2HB GLN 42 7.918 3.860 -0.216 349 2HB GLN 42 1HB GLN 42 7.916 2.119 -0.504 350 1HG GLN 42 2HG GLN 42 7.025 2.328 1.717 351 2HG GLN 42 1HG GLN 42 8.706 1.941 2.040 352 1HE2 GLN 42 2HE2 GLN 42 7.077 5.086 3.742 353 2HE2 GLN 42 1HE2 GLN 42 6.262 3.707 3.071 354 H GLU 43 H GLU 43 10.743 0.631 -0.209 355 HA GLU 43 HA GLU 43 10.670 0.552 -3.195 356 1HB GLU 43 2HB GLU 43 12.819 0.317 -1.291 357 2HB GLU 43 1HB GLU 43 12.559 -1.287 -1.921 358 1HG GLU 43 2HG GLU 43 12.909 1.178 -3.737 359 2HG GLU 43 1HG GLU 43 14.307 0.162 -3.146 360 H GLY 44 H GLY 44 10.582 -1.332 -0.193 361 1HA GLY 44 1HA GLY 44 8.236 -2.561 -0.169 362 2HA GLY 44 2HA GLY 44 9.176 -3.641 -1.314 363 H ASN 45 H ASN 45 9.327 -1.926 1.724 364 HA ASN 45 HA ASN 45 9.829 -2.715 3.812 365 1HB ASN 45 2HB ASN 45 11.722 -4.779 2.507 366 2HB ASN 45 1HB ASN 45 11.493 -4.462 4.247 367 1HD2 ASN 45 1HD2 ASN 45 9.198 -7.274 2.841 368 2HD2 ASN 45 2HD2 ASN 45 10.794 -6.881 2.289 369 H LYS 46 H LYS 46 12.736 -3.189 1.731 370 HA LYS 46 HA LYS 46 14.231 -1.110 3.171 371 1HB LYS 46 2HB LYS 46 15.924 -1.927 1.812 372 2HB LYS 46 1HB LYS 46 14.674 -2.808 0.879 373 1HG LYS 46 2HG LYS 46 14.353 -0.719 -0.511 374 2HG LYS 46 1HG LYS 46 15.774 -0.029 0.313 375 1HD LYS 46 2HD LYS 46 16.741 -0.920 -1.479 376 2HD LYS 46 1HD LYS 46 16.948 -2.230 -0.339 377 1HE LYS 46 2HE LYS 46 14.341 -2.361 -1.792 378 2HE LYS 46 1HE LYS 46 15.721 -2.540 -2.890 379 1HZ LYS 46 3HZ LYS 46 16.390 -4.325 -1.089 380 2HZ LYS 46 2HZ LYS 46 14.746 -4.208 -0.737 381 3HZ LYS 46 1HZ LYS 46 15.210 -4.670 -2.264 382 H PHE 47 H PHE 47 15.045 0.718 2.169 383 HA PHE 47 HA PHE 47 13.191 1.865 0.147 384 1HB PHE 47 2HB PHE 47 13.892 3.841 2.186 385 2HB PHE 47 1HB PHE 47 12.313 3.505 1.401 386 HD1 PHE 47 HD1 PHE 47 14.758 2.433 4.041 387 HD2 PHE 47 HD2 PHE 47 10.624 2.488 2.843 388 HE1 PHE 47 HE1 PHE 47 14.168 1.529 6.235 389 HE2 PHE 47 HE2 PHE 47 9.984 1.581 5.038 390 HZ PHE 47 HZ PHE 47 11.748 1.091 6.756 391 H THR 48 H THR 48 14.256 2.885 -1.428 392 HA THR 48 HA THR 48 17.126 3.329 -1.119 393 HB THR 48 HB THR 48 15.199 4.276 -3.311 394 HG1 THR 48 1HG THR 48 15.537 2.452 -4.092 395 1HG2 THR 48 3HG2 THR 48 17.400 5.676 -3.144 396 2HG2 THR 48 2HG2 THR 48 18.317 4.206 -3.435 397 3HG2 THR 48 1HG2 THR 48 17.212 4.778 -4.681 398 H VAL 49 H VAL 49 17.177 4.733 0.684 399 HA VAL 49 HA VAL 49 15.655 7.279 0.362 400 HB VAL 49 HB VAL 49 16.121 7.799 2.559 401 1HG1 VAL 49 2HG1 VAL 49 14.343 6.124 2.297 402 2HG1 VAL 49 1HG1 VAL 49 15.511 4.780 2.532 403 3HG1 VAL 49 3HG1 VAL 49 15.155 5.846 3.863 404 1HG2 VAL 49 3HG2 VAL 49 18.589 6.443 2.453 405 2HG2 VAL 49 2HG2 VAL 49 17.829 6.825 3.985 406 3HG2 VAL 49 1HG2 VAL 49 17.594 5.236 3.294 407 H LYS 50 H LYS 50 17.006 9.214 0.521 408 HA LYS 50 HA LYS 50 19.675 8.771 -0.731 409 1HB LYS 50 2HB LYS 50 17.607 10.658 -0.927 410 2HB LYS 50 1HB LYS 50 18.756 11.530 0.061 411 1HG LYS 50 2HG LYS 50 20.365 11.733 -1.451 412 2HG LYS 50 1HG LYS 50 19.967 10.295 -2.387 413 1HD LYS 50 2HD LYS 50 17.650 11.909 -2.546 414 2HD LYS 50 1HD LYS 50 19.094 13.042 -2.679 415 1HE LYS 50 2HE LYS 50 20.117 11.304 -4.226 416 2HE LYS 50 1HE LYS 50 18.393 10.714 -4.431 417 1HZ LYS 50 1HZ LYS 50 18.063 13.276 -4.591 418 2HZ LYS 50 3HZ LYS 50 19.627 13.164 -5.251 419 3HZ LYS 50 2HZ LYS 50 18.322 12.267 -5.909 420 H GLU 51 H GLU 51 20.214 11.548 0.846 421 HA GLU 51 HA GLU 51 20.264 11.789 3.164 422 1HB GLU 51 2HB GLU 51 20.577 9.397 3.886 423 2HB GLU 51 1HB GLU 51 21.871 9.179 2.711 424 1HG GLU 51 2HG GLU 51 22.946 11.056 4.553 425 2HG GLU 51 1HG GLU 51 21.971 9.886 5.501 426 H SER 52 H SER 52 21.181 13.468 1.610 427 HA SER 52 HA SER 52 24.134 13.116 1.078 428 1HB SER 52 2HB SER 52 22.470 13.613 -0.719 429 2HB SER 52 1HB SER 52 22.201 15.206 0.079 430 HG SER 52 HG SER 52 23.896 15.050 -1.634 431 H SER 53 H SER 53 24.411 13.498 3.433 432 HA SER 53 HA SER 53 23.633 16.074 4.484 433 1HB SER 53 2HB SER 53 24.210 15.367 6.502 434 2HB SER 53 1HB SER 53 24.158 13.816 5.675 435 HG SER 53 HG SER 53 26.462 15.377 6.243 436 H ASN 54 H ASN 54 25.594 16.116 2.003 437 HA ASN 54 HA ASN 54 27.233 17.588 1.435 438 1HB ASN 54 2HB ASN 54 26.004 18.954 3.361 439 2HB ASN 54 1HB ASN 54 27.561 18.726 4.172 440 1HD2 ASN 54 1HD2 ASN 54 29.308 21.133 2.425 441 2HD2 ASN 54 2HD2 ASN 54 29.316 20.018 3.729 442 H PHE 55 H PHE 55 27.771 15.095 3.731 443 HA PHE 55 HA PHE 55 30.632 15.799 4.053 444 1HB PHE 55 2HB PHE 55 29.025 13.474 5.257 445 2HB PHE 55 1HB PHE 55 30.646 13.997 5.722 446 HD1 PHE 55 HD1 PHE 55 29.477 17.083 5.183 447 HD2 PHE 55 HD2 PHE 55 28.696 13.808 7.811 448 HE1 PHE 55 HE1 PHE 55 28.636 18.675 6.797 449 HE2 PHE 55 HE2 PHE 55 27.842 15.346 9.495 450 HZ PHE 55 HZ PHE 55 27.805 17.832 9.006 451 H ARG 56 H ARG 56 28.536 13.044 3.395 452 HA ARG 56 HA ARG 56 30.760 11.754 1.897 453 1HB ARG 56 2HB ARG 56 30.042 10.441 3.754 454 2HB ARG 56 1HB ARG 56 28.315 10.712 3.349 455 1HG ARG 56 2HG ARG 56 28.450 9.116 1.506 456 2HG ARG 56 1HG ARG 56 30.203 9.325 1.415 457 1HD ARG 56 2HD ARG 56 30.277 8.215 3.720 458 2HD ARG 56 1HD ARG 56 28.585 7.792 3.506 459 HE ARG 56 HE ARG 56 29.176 6.268 1.736 460 1HH1 ARG 56 1HH2 ARG 56 32.050 7.974 3.002 461 2HH1 ARG 56 2HH2 ARG 56 33.134 6.859 2.212 462 1HH2 ARG 56 2HH1 ARG 56 30.685 4.927 0.791 463 2HH2 ARG 56 1HH1 ARG 56 32.416 5.127 0.972 464 H ASN 57 H ASN 57 27.314 11.782 2.146 465 HA ASN 57 HA ASN 57 25.549 11.875 0.762 466 1HB ASN 57 2HB ASN 57 26.093 13.950 -0.127 467 2HB ASN 57 1HB ASN 57 27.667 13.381 -0.779 468 1HD2 ASN 57 2HD2 ASN 57 26.352 12.711 -3.962 469 2HD2 ASN 57 1HD2 ASN 57 27.669 13.106 -2.934 470 H ILE 58 H ILE 58 24.850 9.942 0.226 471 HA ILE 58 HA ILE 58 26.039 8.909 -2.227 472 HB ILE 58 HB ILE 58 27.506 7.868 -0.735 473 1HG1 ILE 58 2HG1 ILE 58 26.694 5.405 -0.976 474 2HG1 ILE 58 1HG1 ILE 58 25.406 6.100 -2.013 475 1HG2 ILE 58 2HG2 ILE 58 26.046 7.971 1.315 476 2HG2 ILE 58 1HG2 ILE 58 25.207 6.507 0.703 477 3HG2 ILE 58 3HG2 ILE 58 26.895 6.401 1.107 478 1HD1 ILE 58 2HD1 ILE 58 28.332 6.736 -2.462 479 2HD1 ILE 58 1HD1 ILE 58 27.478 5.424 -3.307 480 3HD1 ILE 58 3HD1 ILE 58 26.983 7.102 -3.572 481 H ASP 59 H ASP 59 23.934 7.912 0.502 482 HA ASP 59 HA ASP 59 21.495 8.090 0.009 483 1HB ASP 59 2HB ASP 59 20.657 6.264 -1.459 484 2HB ASP 59 1HB ASP 59 21.527 7.416 -2.440 485 H VAL 60 H VAL 60 20.183 6.288 0.997 486 HA VAL 60 HA VAL 60 21.874 4.047 1.987 487 HB VAL 60 HB VAL 60 19.747 5.090 3.808 488 1HG1 VAL 60 3HG1 VAL 60 21.065 2.990 4.099 489 2HG1 VAL 60 2HG1 VAL 60 22.553 3.950 4.291 490 3HG1 VAL 60 1HG1 VAL 60 21.247 4.069 5.486 491 1HG2 VAL 60 2HG2 VAL 60 21.341 7.067 3.072 492 2HG2 VAL 60 1HG2 VAL 60 21.371 6.761 4.830 493 3HG2 VAL 60 3HG2 VAL 60 22.663 6.123 3.816 494 H VAL 61 H VAL 61 20.901 2.159 2.228 495 HA VAL 61 HA VAL 61 18.010 1.915 1.723 496 HB VAL 61 HB VAL 61 18.410 2.028 -0.550 497 1HG1 VAL 61 2HG1 VAL 61 21.305 1.386 0.095 498 2HG1 VAL 61 1HG1 VAL 61 20.688 1.247 -1.565 499 3HG1 VAL 61 3HG1 VAL 61 20.635 2.798 -0.756 500 1HG2 VAL 61 1HG2 VAL 61 18.092 -0.602 0.170 501 2HG2 VAL 61 3HG2 VAL 61 18.572 -0.208 -1.484 502 3HG2 VAL 61 2HG2 VAL 61 19.797 -0.728 -0.313 503 H PHE 62 H PHE 62 17.260 0.100 2.658 504 HA PHE 62 HA PHE 62 18.835 -2.265 2.839 505 1HB PHE 62 2HB PHE 62 19.245 -2.151 5.354 506 2HB PHE 62 1HB PHE 62 20.314 -1.261 4.299 507 HD1 PHE 62 HD1 PHE 62 20.016 1.406 4.264 508 HD2 PHE 62 HD2 PHE 62 17.874 -1.141 6.894 509 HE1 PHE 62 HE1 PHE 62 19.472 3.341 5.628 510 HE2 PHE 62 HE2 PHE 62 17.300 0.761 8.300 511 HZ PHE 62 HZ PHE 62 18.073 3.043 7.707 512 H GLU 63 H GLU 63 17.277 -3.651 2.863 513 HA GLU 63 HA GLU 63 14.569 -3.626 3.164 514 1HB GLU 63 2HB GLU 63 16.260 -5.796 4.472 515 2HB GLU 63 1HB GLU 63 14.554 -5.899 3.834 516 1HG GLU 63 2HG GLU 63 15.704 -5.033 1.569 517 2HG GLU 63 1HG GLU 63 17.154 -5.649 2.200 518 H LEU 64 H LEU 64 13.856 -2.089 4.618 519 HA LEU 64 HA LEU 64 13.520 -0.943 6.589 520 1HB LEU 64 2HB LEU 64 12.742 -3.776 6.901 521 2HB LEU 64 1HB LEU 64 12.896 -2.903 8.440 522 HG LEU 64 HG LEU 64 11.449 -1.404 6.274 523 1HD1 LEU 64 2HD1 LEU 64 10.628 -4.132 7.180 524 2HD1 LEU 64 1HD1 LEU 64 9.320 -2.956 6.858 525 3HD1 LEU 64 3HD1 LEU 64 10.457 -3.338 5.572 526 1HD2 LEU 64 1HD2 LEU 64 11.081 -2.077 9.227 527 2HD2 LEU 64 3HD2 LEU 64 11.388 -0.503 8.535 528 3HD2 LEU 64 2HD2 LEU 64 9.758 -1.245 8.359 529 H GLY 65 H GLY 65 14.908 -3.848 8.216 530 1HA GLY 65 1HA GLY 65 16.939 -1.860 9.237 531 2HA GLY 65 2HA GLY 65 16.255 -3.138 10.129 532 H VAL 66 H VAL 66 17.423 -5.415 9.745 533 HA VAL 66 HA VAL 66 19.206 -6.695 8.955 534 HB VAL 66 HB VAL 66 20.066 -4.691 6.935 535 1HG1 VAL 66 2HG1 VAL 66 20.072 -7.678 7.246 536 2HG1 VAL 66 1HG1 VAL 66 20.033 -7.042 5.623 537 3HG1 VAL 66 3HG1 VAL 66 21.370 -6.543 6.721 538 1HG2 VAL 66 3HG2 VAL 66 17.378 -6.098 7.061 539 2HG2 VAL 66 2HG2 VAL 66 17.864 -4.529 6.325 540 3HG2 VAL 66 1HG2 VAL 66 18.223 -6.021 5.484 541 H ASP 67 H ASP 67 21.295 -6.854 9.905 542 HA ASP 67 HA ASP 67 22.121 -4.695 11.512 543 1HB ASP 67 2HB ASP 67 23.810 -5.784 12.323 544 2HB ASP 67 1HB ASP 67 22.450 -6.909 12.082 545 H PHE 68 H PHE 68 23.398 -2.911 11.107 546 HA PHE 68 HA PHE 68 24.382 -2.608 8.338 547 1HB PHE 68 2HB PHE 68 23.151 -0.828 10.188 548 2HB PHE 68 1HB PHE 68 24.759 -0.218 9.967 549 HD1 PHE 68 HD1 PHE 68 24.525 -1.605 6.739 550 HD2 PHE 68 HD2 PHE 68 22.686 1.488 9.199 551 HE1 PHE 68 HE1 PHE 68 23.890 -0.367 4.795 552 HE2 PHE 68 HE2 PHE 68 22.074 2.712 7.177 553 HZ PHE 68 HZ PHE 68 22.677 1.780 4.947 554 H ALA 69 H ALA 69 25.488 -1.236 11.379 555 HA ALA 69 HA ALA 69 27.521 -1.165 12.491 556 1HB ALA 69 3HB ALA 69 27.773 -3.680 11.237 557 2HB ALA 69 2HB ALA 69 29.117 -2.719 10.569 558 3HB ALA 69 1HB ALA 69 28.926 -2.909 12.350 559 H TYR 70 H TYR 70 26.654 0.764 11.271 560 HA TYR 70 HA TYR 70 28.967 1.914 9.810 561 1HB TYR 70 2HB TYR 70 27.653 1.826 7.950 562 2HB TYR 70 1HB TYR 70 26.085 1.855 8.838 563 HD1 TYR 70 HD2 TYR 70 29.096 4.154 8.542 564 HD2 TYR 70 HD1 TYR 70 24.809 3.882 8.586 565 HE1 TYR 70 HE2 TYR 70 28.946 6.567 8.235 566 HE2 TYR 70 HE1 TYR 70 24.648 6.281 8.285 567 HH TYR 70 HH TYR 70 25.749 8.186 7.876 568 H SER 71 H SER 71 29.631 2.882 11.633 569 HA SER 71 HA SER 71 28.161 3.828 13.725 570 1HB SER 71 2HB SER 71 30.048 4.781 14.386 571 2HB SER 71 1HB SER 71 30.763 3.960 13.023 572 HG SER 71 HG SER 71 30.088 6.630 13.393 573 H LEU 72 H LEU 72 27.004 5.482 14.196 574 HA LEU 72 HA LEU 72 25.529 6.899 12.345 575 1HB LEU 72 2HB LEU 72 24.414 7.841 14.236 576 2HB LEU 72 1HB LEU 72 25.076 6.274 14.778 577 HG LEU 72 HG LEU 72 25.568 7.498 16.556 578 1HD1 LEU 72 1HD1 LEU 72 28.006 7.389 14.865 579 2HD1 LEU 72 3HD1 LEU 72 28.000 8.636 16.113 580 3HD1 LEU 72 2HD1 LEU 72 27.703 6.954 16.575 581 1HD2 LEU 72 1HD2 LEU 72 25.046 9.725 14.893 582 2HD2 LEU 72 3HD2 LEU 72 25.164 9.741 16.663 583 3HD2 LEU 72 2HD2 LEU 72 26.578 10.103 15.644 584 H ALA 73 H ALA 73 27.158 7.540 11.017 585 HA ALA 73 HA ALA 73 28.318 9.085 9.855 586 1HB ALA 73 1HB ALA 73 26.350 10.398 10.616 587 2HB ALA 73 3HB ALA 73 27.471 11.258 11.727 588 3HB ALA 73 2HB ALA 73 27.769 11.293 9.988 589 H ASP 74 H ASP 74 29.317 8.334 13.103 590 HA ASP 74 HA ASP 74 31.998 8.692 12.482 591 1HB ASP 74 2HB ASP 74 32.476 10.333 14.312 592 2HB ASP 74 1HB ASP 74 32.333 10.736 12.536 593 H GLY 75 H GLY 75 29.741 8.907 15.271 594 1HA GLY 75 1HA GLY 75 31.005 8.233 17.514 595 2HA GLY 75 2HA GLY 75 29.498 7.452 17.104 596 H THR 76 H THR 76 29.557 5.168 16.342 597 HA THR 76 HA THR 76 32.305 4.034 16.185 598 HB THR 76 HB THR 76 31.838 4.287 18.585 599 HG1 THR 76 1HG THR 76 33.250 2.892 18.215 600 1HG2 THR 76 3HG2 THR 76 29.519 2.407 17.911 601 2HG2 THR 76 2HG2 THR 76 30.531 1.831 19.215 602 3HG2 THR 76 1HG2 THR 76 29.756 3.447 19.351 603 H GLU 77 H GLU 77 28.797 3.485 15.719 604 HA GLU 77 HA GLU 77 29.636 1.226 13.990 605 1HB GLU 77 2HB GLU 77 29.107 0.769 16.773 606 2HB GLU 77 1HB GLU 77 27.822 0.020 15.938 607 1HG GLU 77 2HG GLU 77 29.143 -1.769 15.517 608 2HG GLU 77 1HG GLU 77 30.067 -0.736 14.371 609 H LEU 78 H LEU 78 26.735 1.665 16.083 610 HA LEU 78 HA LEU 78 24.535 1.339 15.731 611 1HB LEU 78 2HB LEU 78 25.418 3.176 13.437 612 2HB LEU 78 1HB LEU 78 24.002 2.240 12.986 613 HG LEU 78 HG LEU 78 24.270 4.255 15.218 614 1HD1 LEU 78 1HD1 LEU 78 23.370 4.307 12.547 615 2HD1 LEU 78 3HD1 LEU 78 21.902 4.498 13.527 616 3HD1 LEU 78 2HD1 LEU 78 23.272 5.634 13.680 617 1HD2 LEU 78 1HD2 LEU 78 22.339 1.935 14.700 618 2HD2 LEU 78 3HD2 LEU 78 22.562 2.748 16.277 619 3HD2 LEU 78 2HD2 LEU 78 21.523 3.452 15.067 620 H THR 79 H THR 79 24.693 -0.850 15.561 621 HA THR 79 HA THR 79 24.666 -2.141 12.800 622 HB THR 79 HB THR 79 26.534 -2.638 14.783 623 HG1 THR 79 1HG THR 79 26.182 -3.243 12.428 624 1HG2 THR 79 1HG2 THR 79 24.653 -3.706 16.119 625 2HG2 THR 79 3HG2 THR 79 24.808 -5.105 15.011 626 3HG2 THR 79 2HG2 THR 79 26.181 -4.528 15.989 627 H GLY 80 H GLY 80 22.748 -1.535 15.582 628 1HA GLY 80 1HA GLY 80 21.539 -4.208 15.689 629 2HA GLY 80 2HA GLY 80 21.008 -2.655 16.485 630 H THR 81 H THR 81 21.277 -1.529 13.664 631 HA THR 81 HA THR 81 20.229 -1.630 11.675 632 HB THR 81 HB THR 81 17.971 -2.719 11.369 633 HG1 THR 81 1HG THR 81 16.754 -3.367 12.977 634 1HG2 THR 81 2HG2 THR 81 20.059 -4.302 12.405 635 2HG2 THR 81 1HG2 THR 81 18.502 -4.966 13.022 636 3HG2 THR 81 3HG2 THR 81 18.688 -4.711 11.310 637 H TRP 82 H TRP 82 17.682 -0.956 11.231 638 HA TRP 82 HA TRP 82 16.714 1.129 13.061 639 1HB TRP 82 2HB TRP 82 16.964 1.772 10.051 640 2HB TRP 82 1HB TRP 82 16.484 2.761 11.370 641 HD1 TRP 82 HD1 TRP 82 20.066 1.109 11.524 642 HE1 TRP 82 HE1 TRP 82 21.739 3.004 11.319 643 HE3 TRP 82 HE3 TRP 82 16.884 4.916 10.507 644 HZ2 TRP 82 HZ2 TRP 82 21.713 5.822 10.769 645 HZ3 TRP 82 HZ3 TRP 82 17.640 7.158 10.167 646 HH2 TRP 82 HH2 TRP 82 20.185 7.633 10.291 647 H THR 83 H THR 83 14.412 0.579 12.857 648 HA THR 83 HA THR 83 13.583 -0.353 10.095 649 HB THR 83 HB THR 83 11.797 -1.724 11.005 650 HG1 THR 83 1HG THR 83 11.853 -2.293 13.102 651 1HG2 THR 83 3HG2 THR 83 14.649 -2.383 11.226 652 2HG2 THR 83 2HG2 THR 83 13.612 -3.375 12.316 653 3HG2 THR 83 1HG2 THR 83 13.311 -3.401 10.584 654 H MET 84 H MET 84 10.684 -0.182 11.077 655 HA MET 84 HA MET 84 10.648 2.577 11.985 656 1HB MET 84 2HB MET 84 9.152 3.161 9.972 657 2HB MET 84 1HB MET 84 10.701 2.660 9.401 658 1HG MET 84 2HG MET 84 9.868 0.687 8.491 659 2HG MET 84 1HG MET 84 8.722 0.514 9.777 660 1HE MET 84 2HE MET 84 7.875 -0.448 7.242 661 2HE MET 84 1HE MET 84 6.959 0.526 6.084 662 3HE MET 84 3HE MET 84 8.755 0.604 6.127 663 H GLU 85 H GLU 85 7.539 2.031 10.899 664 HA GLU 85 HA GLU 85 6.948 -0.374 12.347 665 1HB GLU 85 2HB GLU 85 7.633 1.617 14.001 666 2HB GLU 85 1HB GLU 85 5.881 2.062 13.746 667 1HG GLU 85 2HG GLU 85 6.081 -0.837 14.198 668 2HG GLU 85 1HG GLU 85 7.125 -0.163 15.321 669 H GLY 86 H GLY 86 4.350 0.545 13.318 670 1HA GLY 86 1HA GLY 86 2.837 0.259 10.865 671 2HA GLY 86 2HA GLY 86 2.197 0.654 12.538 672 H ASN 87 H ASN 87 4.232 2.938 12.779 673 HA ASN 87 HA ASN 87 3.292 4.593 10.559 674 1HB ASN 87 2HB ASN 87 2.136 6.214 11.269 675 2HB ASN 87 1HB ASN 87 1.340 4.594 11.506 676 1HD2 ASN 87 2HD2 ASN 87 1.623 6.999 14.654 677 2HD2 ASN 87 1HD2 ASN 87 1.515 7.515 13.000 678 H LYS 88 H LYS 88 5.939 3.878 12.030 679 HA LYS 88 HA LYS 88 7.163 6.471 11.542 680 1HB LYS 88 2HB LYS 88 8.328 6.450 13.705 681 2HB LYS 88 1HB LYS 88 6.786 7.106 13.862 682 1HG LYS 88 2HG LYS 88 5.854 5.042 14.939 683 2HG LYS 88 1HG LYS 88 7.385 4.178 14.667 684 1HD LYS 88 2HD LYS 88 8.129 5.052 16.630 685 2HD LYS 88 1HD LYS 88 8.170 6.576 15.815 686 1HE LYS 88 2HE LYS 88 6.865 6.959 17.768 687 2HE LYS 88 1HE LYS 88 5.596 6.791 16.530 688 1HZ LYS 88 3HZ LYS 88 6.566 4.428 17.941 689 2HZ LYS 88 2HZ LYS 88 5.520 5.495 18.738 690 3HZ LYS 88 1HZ LYS 88 5.036 4.697 17.305 691 H LEU 89 H LEU 89 9.080 6.397 11.181 692 HA LEU 89 HA LEU 89 10.663 4.030 10.704 693 1HB LEU 89 2HB LEU 89 10.888 6.917 10.571 694 2HB LEU 89 1HB LEU 89 12.192 6.237 11.417 695 HG LEU 89 HG LEU 89 12.730 4.705 9.584 696 1HD1 LEU 89 1HD1 LEU 89 10.108 5.019 8.822 697 2HD1 LEU 89 3HD1 LEU 89 10.875 5.972 7.553 698 3HD1 LEU 89 2HD1 LEU 89 11.315 4.261 7.746 699 1HD2 LEU 89 2HD2 LEU 89 13.610 7.137 9.404 700 2HD2 LEU 89 1HD2 LEU 89 13.664 6.222 7.920 701 3HD2 LEU 89 3HD2 LEU 89 12.388 7.431 8.113 702 H VAL 90 H VAL 90 12.656 3.758 11.965 703 HA VAL 90 HA VAL 90 12.931 4.585 14.737 704 HB VAL 90 HB VAL 90 12.852 1.657 14.277 705 1HG1 VAL 90 3HG1 VAL 90 13.015 3.490 16.530 706 2HG1 VAL 90 2HG1 VAL 90 11.872 2.170 16.899 707 3HG1 VAL 90 1HG1 VAL 90 13.538 1.805 16.407 708 1HG2 VAL 90 1HG2 VAL 90 10.321 2.705 13.842 709 2HG2 VAL 90 3HG2 VAL 90 10.495 1.412 15.064 710 3HG2 VAL 90 2HG2 VAL 90 10.364 3.090 15.551 711 H GLY 91 H GLY 91 14.742 5.366 13.958 712 1HA GLY 91 1HA GLY 91 16.779 4.343 12.339 713 2HA GLY 91 2HA GLY 91 16.887 5.477 13.682 714 H LYS 92 H LYS 92 15.564 3.365 15.295 715 HA LYS 92 HA LYS 92 16.297 2.070 16.944 716 1HB LYS 92 2HB LYS 92 15.832 0.467 14.602 717 2HB LYS 92 1HB LYS 92 17.429 -0.057 15.082 718 1HG LYS 92 2HG LYS 92 14.978 -1.003 16.018 719 2HG LYS 92 1HG LYS 92 16.621 -1.294 16.668 720 1HD LYS 92 2HD LYS 92 16.542 0.580 18.040 721 2HD LYS 92 1HD LYS 92 14.892 0.986 17.624 722 1HE LYS 92 2HE LYS 92 15.628 -1.782 18.772 723 2HE LYS 92 1HE LYS 92 15.191 -0.398 19.832 724 1HZ LYS 92 2HZ LYS 92 13.282 -0.645 17.805 725 2HZ LYS 92 1HZ LYS 92 13.532 -2.189 18.457 726 3HZ LYS 92 3HZ LYS 92 13.113 -0.876 19.451 727 H PHE 93 H PHE 93 18.639 0.004 16.500 728 HA PHE 93 HA PHE 93 21.101 1.245 16.179 729 1HB PHE 93 2HB PHE 93 21.510 2.310 18.329 730 2HB PHE 93 1HB PHE 93 20.086 3.028 17.835 731 HD1 PHE 93 HD2 PHE 93 18.226 0.470 18.469 732 HD2 PHE 93 HD1 PHE 93 21.442 2.196 20.531 733 HE1 PHE 93 HE2 PHE 93 17.419 -0.679 20.450 734 HE2 PHE 93 HE1 PHE 93 20.697 1.065 22.634 735 HZ PHE 93 HZ PHE 93 18.690 -0.408 22.633 736 H LYS 94 H LYS 94 22.253 0.962 18.264 737 HA LYS 94 HA LYS 94 22.407 0.133 20.375 738 1HB LYS 94 2HB LYS 94 21.691 -2.500 18.932 739 2HB LYS 94 1HB LYS 94 22.902 -2.456 20.445 740 1HG LYS 94 2HG LYS 94 21.362 -1.051 21.527 741 2HG LYS 94 1HG LYS 94 20.372 -0.927 20.163 742 1HD LYS 94 2HD LYS 94 19.286 -2.975 20.511 743 2HD LYS 94 1HD LYS 94 20.747 -3.745 21.054 744 1HE LYS 94 2HE LYS 94 20.361 -2.321 23.305 745 2HE LYS 94 1HE LYS 94 18.650 -2.332 22.676 746 1HZ LYS 94 1HZ LYS 94 18.935 -4.707 22.301 747 2HZ LYS 94 3HZ LYS 94 20.359 -4.634 23.228 748 3HZ LYS 94 2HZ LYS 94 18.851 -4.191 23.898 749 H ARG 95 H ARG 95 23.830 1.421 19.459 750 HA ARG 95 HA ARG 95 25.506 1.347 17.423 751 1HB ARG 95 2HB ARG 95 26.563 1.775 20.242 752 2HB ARG 95 1HB ARG 95 26.894 2.842 18.794 753 1HG ARG 95 2HG ARG 95 24.633 2.719 20.733 754 2HG ARG 95 1HG ARG 95 25.609 4.088 20.356 755 1HD ARG 95 2HD ARG 95 23.208 3.084 18.822 756 2HD ARG 95 1HD ARG 95 23.931 4.640 18.949 757 HE ARG 95 HE ARG 95 24.376 2.950 16.733 758 1HH1 ARG 95 1HH1 ARG 95 26.328 5.129 19.008 759 2HH1 ARG 95 2HH1 ARG 95 27.427 5.412 17.702 760 1HH2 ARG 95 2HH2 ARG 95 26.146 3.601 15.218 761 2HH2 ARG 95 1HH2 ARG 95 27.367 4.684 15.852 762 H VAL 96 H VAL 96 25.795 -1.426 19.610 763 HA VAL 96 HA VAL 96 27.565 -2.791 19.854 764 HB VAL 96 HB VAL 96 28.998 -1.094 17.756 765 1HG1 VAL 96 2HG1 VAL 96 29.449 -3.600 19.087 766 2HG1 VAL 96 1HG1 VAL 96 29.388 -3.742 17.290 767 3HG1 VAL 96 3HG1 VAL 96 30.518 -2.571 18.065 768 1HG2 VAL 96 3HG2 VAL 96 26.535 -2.949 17.615 769 2HG2 VAL 96 2HG2 VAL 96 26.859 -1.493 16.684 770 3HG2 VAL 96 1HG2 VAL 96 27.696 -3.022 16.301 771 H ASP 97 H ASP 97 28.582 0.825 19.895 772 HA ASP 97 HA ASP 97 30.911 0.407 21.477 773 1HB ASP 97 2HB ASP 97 30.934 2.498 21.097 774 2HB ASP 97 1HB ASP 97 29.190 2.691 21.027 775 H ASN 98 H ASN 98 27.565 0.080 22.056 776 HA ASN 98 HA ASN 98 27.815 -1.282 24.577 777 1HB ASN 98 2HB ASN 98 28.495 0.685 25.437 778 2HB ASN 98 1HB ASN 98 27.245 1.530 24.619 779 1HD2 ASN 98 1HD2 ASN 98 26.619 0.290 28.390 780 2HD2 ASN 98 2HD2 ASN 98 28.154 0.424 27.640 781 H GLY 99 H GLY 99 25.724 0.977 22.840 782 1HA GLY 99 1HA GLY 99 23.756 0.175 21.674 783 2HA GLY 99 2HA GLY 99 23.269 -0.731 23.007 784 H LYS 100 H LYS 100 22.977 2.149 21.450 785 HA LYS 100 HA LYS 100 22.492 3.995 23.656 786 1HB LYS 100 2HB LYS 100 23.535 4.082 21.119 787 2HB LYS 100 1HB LYS 100 22.147 5.112 21.178 788 1HG LYS 100 2HG LYS 100 24.050 6.497 22.036 789 2HG LYS 100 1HG LYS 100 23.053 6.001 23.449 790 1HD LYS 100 2HD LYS 100 24.587 4.277 24.054 791 2HD LYS 100 1HD LYS 100 25.090 4.042 22.441 792 1HE LYS 100 2HE LYS 100 26.855 5.021 24.035 793 2HE LYS 100 1HE LYS 100 26.670 5.894 22.516 794 1HZ LYS 100 2HZ LYS 100 25.391 6.556 25.091 795 2HZ LYS 100 1HZ LYS 100 26.770 7.299 24.454 796 3HZ LYS 100 3HZ LYS 100 25.287 7.497 23.681 797 H GLU 101 H GLU 101 20.943 3.924 20.455 798 HA GLU 101 HA GLU 101 18.750 3.409 19.993 799 1HB GLU 101 2HB GLU 101 17.851 4.568 22.641 800 2HB GLU 101 1HB GLU 101 16.841 4.279 21.318 801 1HG GLU 101 2HG GLU 101 17.818 1.902 21.182 802 2HG GLU 101 1HG GLU 101 18.509 2.110 22.729 803 H LEU 102 H LEU 102 20.475 5.045 18.986 804 HA LEU 102 HA LEU 102 19.904 7.778 18.721 805 1HB LEU 102 2HB LEU 102 20.164 5.547 16.670 806 2HB LEU 102 1HB LEU 102 20.064 7.277 16.232 807 HG LEU 102 HG LEU 102 22.035 6.753 18.355 808 1HD1 LEU 102 3HD1 LEU 102 22.399 4.604 16.904 809 2HD1 LEU 102 2HD1 LEU 102 22.986 5.726 15.623 810 3HD1 LEU 102 1HD1 LEU 102 23.826 5.604 17.160 811 1HD2 LEU 102 2HD2 LEU 102 22.029 8.219 15.638 812 2HD2 LEU 102 1HD2 LEU 102 21.970 8.847 17.326 813 3HD2 LEU 102 3HD2 LEU 102 23.450 8.139 16.739 814 H ILE 103 H ILE 103 18.459 4.885 17.258 815 HA ILE 103 HA ILE 103 16.286 4.249 16.749 816 HB ILE 103 HB ILE 103 16.161 6.214 18.956 817 1HG1 ILE 103 2HG1 ILE 103 16.397 3.888 19.177 818 2HG1 ILE 103 1HG1 ILE 103 15.029 4.411 20.022 819 1HG2 ILE 103 3HG2 ILE 103 14.530 7.260 17.439 820 2HG2 ILE 103 2HG2 ILE 103 13.577 5.803 17.423 821 3HG2 ILE 103 1HG2 ILE 103 13.880 6.680 18.971 822 1HD1 ILE 103 3HD1 ILE 103 14.699 3.035 17.319 823 2HD1 ILE 103 2HD1 ILE 103 14.598 2.300 18.961 824 3HD1 ILE 103 1HD1 ILE 103 13.438 3.516 18.513 825 H ALA 104 H ALA 104 17.887 6.813 15.644 826 HA ALA 104 HA ALA 104 16.718 8.823 14.465 827 1HB ALA 104 1HB ALA 104 18.957 7.819 13.740 828 2HB ALA 104 3HB ALA 104 18.057 6.620 12.733 829 3HB ALA 104 2HB ALA 104 17.941 8.365 12.404 830 H VAL 105 H VAL 105 14.506 8.348 14.751 831 HA VAL 105 HA VAL 105 13.061 6.487 13.083 832 HB VAL 105 HB VAL 105 11.129 7.560 13.905 833 1HG1 VAL 105 1HG1 VAL 105 12.173 6.090 15.618 834 2HG1 VAL 105 3HG1 VAL 105 13.126 7.504 16.195 835 3HG1 VAL 105 2HG1 VAL 105 11.383 7.479 16.306 836 1HG2 VAL 105 1HG2 VAL 105 12.411 9.979 13.607 837 2HG2 VAL 105 3HG2 VAL 105 11.201 9.765 14.840 838 3HG2 VAL 105 2HG2 VAL 105 12.966 9.616 15.207 839 H ARG 106 H ARG 106 11.144 8.838 12.634 840 HA ARG 106 HA ARG 106 11.809 10.860 11.118 841 1HB ARG 106 2HB ARG 106 12.343 8.520 9.665 842 2HB ARG 106 1HB ARG 106 10.875 9.244 8.844 843 1HG ARG 106 2HG ARG 106 11.899 10.817 7.975 844 2HG ARG 106 1HG ARG 106 12.459 11.459 9.444 845 1HD ARG 106 2HD ARG 106 14.047 9.230 8.083 846 2HD ARG 106 1HD ARG 106 14.254 11.013 7.746 847 HE ARG 106 HE ARG 106 14.425 10.987 10.386 848 1HH1 ARG 106 1HH1 ARG 106 15.902 8.823 7.943 849 2HH1 ARG 106 2HH1 ARG 106 17.302 8.535 8.910 850 1HH2 ARG 106 1HH2 ARG 106 16.355 10.516 11.610 851 2HH2 ARG 106 2HH2 ARG 106 17.554 9.444 10.901 852 H GLU 107 H GLU 107 9.861 8.048 11.871 853 HA GLU 107 HA GLU 107 7.622 7.858 12.327 854 1HB GLU 107 2HB GLU 107 8.715 10.513 12.896 855 2HB GLU 107 1HB GLU 107 6.899 10.484 12.880 856 1HG GLU 107 2HG GLU 107 8.210 8.278 14.387 857 2HG GLU 107 1HG GLU 107 8.465 9.728 15.060 858 H ILE 108 H ILE 108 7.782 11.177 11.255 859 HA ILE 108 HA ILE 108 6.938 12.477 9.758 860 HB ILE 108 HB ILE 108 7.740 10.287 8.430 861 1HG1 ILE 108 2HG1 ILE 108 6.077 12.415 6.986 862 2HG1 ILE 108 1HG1 ILE 108 7.480 12.795 7.973 863 1HG2 ILE 108 3HG2 ILE 108 4.758 10.705 7.644 864 2HG2 ILE 108 2HG2 ILE 108 5.881 9.842 6.647 865 3HG2 ILE 108 1HG2 ILE 108 5.377 9.128 8.223 866 1HD1 ILE 108 2HD1 ILE 108 8.497 10.712 6.546 867 2HD1 ILE 108 1HD1 ILE 108 7.513 11.494 5.277 868 3HD1 ILE 108 3HD1 ILE 108 8.704 12.460 6.166 869 H SER 109 H SER 109 5.285 13.485 10.383 870 HA SER 109 HA SER 109 2.730 12.575 9.459 871 1HB SER 109 2HB SER 109 2.877 11.230 11.536 872 2HB SER 109 1HB SER 109 3.472 12.627 12.408 873 HG SER 109 HG SER 109 1.256 13.550 11.862 874 H GLY 110 H GLY 110 1.668 14.151 8.841 875 1HA GLY 110 1HA GLY 110 1.062 16.253 8.259 876 2HA GLY 110 2HA GLY 110 0.843 16.450 10.042 877 H ASN 111 H ASN 111 2.929 17.205 7.202 878 HA ASN 111 HA ASN 111 4.722 18.692 7.063 879 1HB ASN 111 2HB ASN 111 4.429 20.020 9.598 880 2HB ASN 111 1HB ASN 111 4.786 20.601 7.985 881 1HD2 ASN 111 1HD2 ASN 111 1.470 21.832 7.595 882 2HD2 ASN 111 2HD2 ASN 111 3.132 21.872 7.191 883 H GLU 112 H GLU 112 6.417 16.942 7.384 884 HA GLU 112 HA GLU 112 7.502 16.994 10.195 885 1HB GLU 112 2HB GLU 112 6.921 14.428 10.240 886 2HB GLU 112 1HB GLU 112 5.548 15.504 10.396 887 1HG GLU 112 2HG GLU 112 6.715 14.496 7.748 888 2HG GLU 112 1HG GLU 112 5.664 13.436 8.541 889 H LEU 113 H LEU 113 8.607 14.953 10.595 890 HA LEU 113 HA LEU 113 9.610 12.986 9.092 891 1HB LEU 113 2HB LEU 113 11.602 15.342 8.959 892 2HB LEU 113 1HB LEU 113 12.056 13.655 9.082 893 HG LEU 113 HG LEU 113 10.463 14.720 6.718 894 1HD1 LEU 113 3HD1 LEU 113 13.159 15.061 7.355 895 2HD1 LEU 113 2HD1 LEU 113 13.226 13.536 6.474 896 3HD1 LEU 113 1HD1 LEU 113 12.498 14.989 5.731 897 1HD2 LEU 113 3HD2 LEU 113 10.477 12.093 7.599 898 2HD2 LEU 113 2HD2 LEU 113 10.531 12.536 5.855 899 3HD2 LEU 113 1HD2 LEU 113 12.013 12.137 6.671 900 H ILE 114 H ILE 114 10.100 15.501 11.495 901 HA ILE 114 HA ILE 114 10.508 15.428 13.748 902 HB ILE 114 HB ILE 114 9.709 12.658 14.203 903 1HG1 ILE 114 2HG1 ILE 114 8.452 12.969 11.842 904 2HG1 ILE 114 1HG1 ILE 114 7.836 12.153 13.198 905 1HG2 ILE 114 1HG2 ILE 114 9.807 14.664 15.569 906 2HG2 ILE 114 3HG2 ILE 114 8.233 15.081 14.963 907 3HG2 ILE 114 2HG2 ILE 114 8.425 13.558 15.835 908 1HD1 ILE 114 3HD1 ILE 114 7.105 15.111 13.063 909 2HD1 ILE 114 2HD1 ILE 114 6.331 14.010 11.931 910 3HD1 ILE 114 1HD1 ILE 114 6.121 13.717 13.630 911 H GLN 115 H GLN 115 12.261 13.359 11.883 912 HA GLN 115 HA GLN 115 13.716 11.498 12.476 913 1HB GLN 115 2HB GLN 115 14.438 14.386 13.136 914 2HB GLN 115 1HB GLN 115 15.719 13.152 12.932 915 1HG GLN 115 2HG GLN 115 13.622 13.529 10.705 916 2HG GLN 115 1HG GLN 115 14.731 14.875 11.023 917 1HE2 GLN 115 2HE2 GLN 115 16.023 12.336 8.482 918 2HE2 GLN 115 1HE2 GLN 115 14.510 13.123 8.624 919 H THR 116 H THR 116 12.066 11.902 14.990 920 HA THR 116 HA THR 116 13.246 12.338 17.402 921 HB THR 116 HB THR 116 11.781 9.770 16.631 922 HG1 THR 116 1HG THR 116 10.320 11.739 17.677 923 1HG2 THR 116 3HG2 THR 116 12.911 10.160 19.045 924 2HG2 THR 116 2HG2 THR 116 11.397 11.094 19.337 925 3HG2 THR 116 1HG2 THR 116 11.347 9.437 18.825 926 H TYR 117 H TYR 117 15.656 11.964 17.020 927 HA TYR 117 HA TYR 117 16.014 9.038 17.412 928 1HB TYR 117 2HB TYR 117 18.619 10.308 17.721 929 2HB TYR 117 1HB TYR 117 18.161 9.237 16.597 930 HD1 TYR 117 HD1 TYR 117 18.067 13.019 16.759 931 HD2 TYR 117 HD2 TYR 117 18.446 9.553 14.402 932 HE1 TYR 117 HE1 TYR 117 18.663 14.451 14.788 933 HE2 TYR 117 HE2 TYR 117 19.032 10.918 12.441 934 HH TYR 117 HH TYR 117 19.494 12.950 11.641 935 H THR 118 H THR 118 15.642 8.485 19.259 936 HA THR 118 HA THR 118 16.250 10.171 21.615 937 HB THR 118 HB THR 118 14.628 7.674 21.860 938 HG1 THR 118 1HG THR 118 13.491 10.118 21.225 939 1HG2 THR 118 1HG2 THR 118 15.579 9.243 23.805 940 2HG2 THR 118 3HG2 THR 118 14.739 10.577 23.022 941 3HG2 THR 118 2HG2 THR 118 13.778 9.265 23.756 942 H TYR 119 H TYR 119 18.635 9.307 21.268 943 HA TYR 119 HA TYR 119 19.314 6.516 21.887 944 1HB TYR 119 2HB TYR 119 21.528 7.128 21.723 945 2HB TYR 119 1HB TYR 119 20.689 7.958 20.441 946 HD1 TYR 119 HD1 TYR 119 20.006 10.519 20.869 947 HD2 TYR 119 HD2 TYR 119 22.851 8.386 23.337 948 HE1 TYR 119 HE1 TYR 119 20.888 12.579 21.782 949 HE2 TYR 119 HE2 TYR 119 23.718 10.482 24.219 950 HH TYR 119 HH TYR 119 22.058 13.500 23.394 951 H GLU 120 H GLU 120 18.050 6.186 23.626 952 HA GLU 120 HA GLU 120 18.055 5.792 25.978 953 1HB GLU 120 2HB GLU 120 20.771 6.225 24.980 954 2HB GLU 120 1HB GLU 120 20.632 6.609 26.693 955 1HG GLU 120 2HG GLU 120 19.061 4.192 25.734 956 2HG GLU 120 1HG GLU 120 20.730 4.210 25.263 957 H GLY 121 H GLY 121 17.750 8.720 24.833 958 1HA GLY 121 1HA GLY 121 16.968 9.690 27.312 959 2HA GLY 121 2HA GLY 121 18.612 10.079 27.259 960 H VAL 122 H VAL 122 18.276 10.424 24.178 961 HA VAL 122 HA VAL 122 16.981 13.133 24.333 962 HB VAL 122 HB VAL 122 19.919 12.507 24.021 963 1HG1 VAL 122 3HG1 VAL 122 18.510 15.016 22.993 964 2HG1 VAL 122 2HG1 VAL 122 20.283 14.890 23.287 965 3HG1 VAL 122 1HG1 VAL 122 19.507 13.923 22.010 966 1HG2 VAL 122 2HG2 VAL 122 18.202 14.498 25.649 967 2HG2 VAL 122 1HG2 VAL 122 19.244 13.155 26.217 968 3HG2 VAL 122 3HG2 VAL 122 19.950 14.629 25.527 969 H GLU 123 H GLU 123 15.598 12.892 22.875 970 HA GLU 123 HA GLU 123 15.799 11.868 20.126 971 1HB GLU 123 2HB GLU 123 13.639 12.498 21.741 972 2HB GLU 123 1HB GLU 123 14.016 14.086 21.374 973 1HG GLU 123 2HG GLU 123 13.962 13.429 18.787 974 2HG GLU 123 1HG GLU 123 13.581 11.910 19.256 975 H ALA 124 H ALA 124 16.532 12.826 18.482 976 HA ALA 124 HA ALA 124 16.682 15.787 18.672 977 1HB ALA 124 3HB ALA 124 18.957 13.973 18.123 978 2HB ALA 124 2HB ALA 124 18.781 15.182 16.839 979 3HB ALA 124 1HB ALA 124 19.043 15.667 18.565 980 H LYS 125 H LYS 125 15.652 16.831 17.249 981 HA LYS 125 HA LYS 125 15.307 15.671 14.560 982 1HB LYS 125 2HB LYS 125 12.642 16.264 15.465 983 2HB LYS 125 1HB LYS 125 13.355 14.879 14.650 984 1HG LYS 125 2HG LYS 125 12.554 14.034 16.942 985 2HG LYS 125 1HG LYS 125 14.223 14.098 17.030 986 1HD LYS 125 2HD LYS 125 12.872 15.195 18.880 987 2HD LYS 125 1HD LYS 125 14.142 16.159 18.248 988 1HE LYS 125 2HE LYS 125 11.758 17.238 18.682 989 2HE LYS 125 1HE LYS 125 12.593 17.708 17.144 990 1HZ LYS 125 2HZ LYS 125 11.144 15.485 16.576 991 2HZ LYS 125 1HZ LYS 125 10.169 16.250 17.680 992 3HZ LYS 125 3HZ LYS 125 10.655 17.094 16.294 993 H ARG 126 H ARG 126 13.079 17.449 14.037 994 HA ARG 126 HA ARG 126 12.678 19.860 15.015 995 1HB ARG 126 2HB ARG 126 15.195 20.143 13.507 996 2HB ARG 126 1HB ARG 126 13.914 21.434 13.606 997 1HG ARG 126 2HG ARG 126 14.449 20.430 16.270 998 2HG ARG 126 1HG ARG 126 15.943 21.144 15.411 999 1HD ARG 126 2HD ARG 126 14.523 22.716 16.707 1000 2HD ARG 126 1HD ARG 126 14.889 23.180 15.004 1001 HE ARG 126 HE ARG 126 12.363 21.710 15.352 1002 1HH1 ARG 126 1HH2 ARG 126 13.982 24.880 15.467 1003 2HH1 ARG 126 2HH2 ARG 126 12.523 25.728 15.174 1004 1HH2 ARG 126 1HH1 ARG 126 10.446 22.863 14.960 1005 2HH2 ARG 126 2HH1 ARG 126 10.483 24.597 14.887 1006 H ILE 127 H ILE 127 13.858 18.070 12.297 1007 HA ILE 127 HA ILE 127 12.268 17.162 10.723 1008 HB ILE 127 HB ILE 127 11.012 19.909 10.833 1009 1HG1 ILE 127 2HG1 ILE 127 9.089 18.541 11.256 1010 2HG1 ILE 127 1HG1 ILE 127 9.889 17.123 10.677 1011 1HG2 ILE 127 1HG2 ILE 127 11.288 19.533 8.486 1012 2HG2 ILE 127 3HG2 ILE 127 10.345 18.007 8.668 1013 3HG2 ILE 127 2HG2 ILE 127 9.610 19.565 8.940 1014 1HD1 ILE 127 2HD1 ILE 127 11.357 17.023 12.734 1015 2HD1 ILE 127 1HD1 ILE 127 10.569 18.464 13.443 1016 3HD1 ILE 127 3HD1 ILE 127 9.651 17.016 13.238 1017 H PHE 128 H PHE 128 11.988 17.191 8.695 1018 HA PHE 128 HA PHE 128 14.066 17.268 7.020 1019 1HB PHE 128 2HB PHE 128 12.376 17.016 5.261 1020 2HB PHE 128 1HB PHE 128 11.512 16.422 6.625 1021 HD1 PHE 128 HD1 PHE 128 12.023 19.673 4.716 1022 HD2 PHE 128 HD2 PHE 128 9.431 17.438 7.121 1023 HE1 PHE 128 HE1 PHE 128 10.268 21.264 4.238 1024 HE2 PHE 128 HE2 PHE 128 7.608 18.992 6.713 1025 HZ PHE 128 HZ PHE 128 8.015 20.977 5.218 1026 H LYS 129 H LYS 129 14.582 18.134 5.356 1027 HA LYS 129 HA LYS 129 14.069 21.004 5.064 1028 1HB LYS 129 2HB LYS 129 16.374 20.481 5.841 1029 2HB LYS 129 1HB LYS 129 16.758 20.124 4.145 1030 1HG LYS 129 2HG LYS 129 15.077 22.588 4.963 1031 2HG LYS 129 1HG LYS 129 16.739 22.569 5.349 1032 1HD LYS 129 2HD LYS 129 17.215 23.289 3.142 1033 2HD LYS 129 1HD LYS 129 16.374 21.873 2.533 1034 1HE LYS 129 2HE LYS 129 14.199 23.140 2.601 1035 2HE LYS 129 1HE LYS 129 14.975 24.497 3.314 1036 1HZ LYS 129 1HZ LYS 129 16.429 24.100 1.092 1037 2HZ LYS 129 3HZ LYS 129 14.869 23.764 0.565 1038 3HZ LYS 129 2HZ LYS 129 15.185 25.234 1.329 1039 H LYS 130 H LYS 130 13.260 18.205 4.097 1040 HA LYS 130 HA LYS 130 12.675 17.240 2.030 1041 1HB LYS 130 2HB LYS 130 10.840 17.580 2.481 1042 2HB LYS 130 1HB LYS 130 10.946 19.371 2.772 1043 1HG LYS 130 2HG LYS 130 11.075 18.105 0.007 1044 2HG LYS 130 1HG LYS 130 9.601 17.959 0.842 1045 1HD LYS 130 2HD LYS 130 10.137 20.779 1.112 1046 2HD LYS 130 1HD LYS 130 10.823 20.373 -0.448 1047 1HE LYS 130 2HE LYS 130 8.721 20.712 -1.276 1048 2HE LYS 130 1HE LYS 130 8.397 19.047 -0.679 1049 1HZ LYS 130 2HZ LYS 130 7.594 20.013 1.370 1050 2HZ LYS 130 1HZ LYS 130 7.848 21.560 0.732 1051 3HZ LYS 130 3HZ LYS 130 6.733 20.492 -0.005 1052 H GLU 131 H GLU 131 12.676 17.126 0.078 1053 HA GLU 131 HA GLU 131 13.538 19.397 -1.515 1054 1HB GLU 131 2HB GLU 131 15.413 18.242 -0.285 1055 2HB GLU 131 1HB GLU 131 15.345 17.086 -1.147 1056 1HG GLU 131 2HG GLU 131 16.797 17.986 -2.748 1057 2HG GLU 131 1HG GLU 131 15.669 19.308 -3.087 No H/Q in entry = 1057 Start of MODEL 6 1 1H ALA 1 3H ALA 1 3.019 7.771 2.433 2 2H ALA 1 2H ALA 1 2.900 7.133 3.956 3 3H ALA 1 1H ALA 1 1.751 8.187 3.388 4 HA ALA 1 HA ALA 1 3.005 10.048 3.703 5 1HB ALA 1 1HB ALA 1 3.785 7.756 5.574 6 2HB ALA 1 3HB ALA 1 4.255 9.460 5.905 7 3HB ALA 1 2HB ALA 1 2.555 9.015 5.885 8 H PHE 2 H PHE 2 5.652 10.256 4.831 9 HA PHE 2 HA PHE 2 7.922 10.394 4.049 10 1HB PHE 2 2HB PHE 2 7.285 7.486 3.754 11 2HB PHE 2 1HB PHE 2 8.884 8.299 3.439 12 HD1 PHE 2 HD2 PHE 2 9.530 9.941 5.527 13 HD2 PHE 2 HD1 PHE 2 7.130 6.453 5.714 14 HE1 PHE 2 HE2 PHE 2 10.072 9.682 7.924 15 HE2 PHE 2 HE1 PHE 2 7.641 6.164 8.122 16 HZ PHE 2 HZ PHE 2 9.115 7.779 9.227 17 H ASP 3 H ASP 3 7.070 7.806 1.778 18 HA ASP 3 HA ASP 3 8.521 7.888 -0.207 19 1HB ASP 3 2HB ASP 3 5.567 8.391 -0.698 20 2HB ASP 3 1HB ASP 3 6.761 7.979 -2.012 21 H GLY 4 H GLY 4 9.989 9.223 -0.773 22 1HA GLY 4 1HA GLY 4 9.880 11.240 -2.643 23 2HA GLY 4 2HA GLY 4 9.154 11.991 -1.313 24 H THR 5 H THR 5 10.556 13.433 -1.327 25 HA THR 5 HA THR 5 13.344 13.340 -0.207 26 HB THR 5 HB THR 5 13.315 15.501 -0.550 27 HG1 THR 5 1HG THR 5 10.698 15.240 -1.691 28 1HG2 THR 5 1HG2 THR 5 13.207 13.647 -2.750 29 2HG2 THR 5 3HG2 THR 5 11.987 14.813 -3.244 30 3HG2 THR 5 2HG2 THR 5 13.667 15.360 -3.067 31 H TRP 6 H TRP 6 13.845 14.555 1.285 32 HA TRP 6 HA TRP 6 12.108 15.539 3.443 33 1HB TRP 6 2HB TRP 6 13.723 12.946 3.158 34 2HB TRP 6 1HB TRP 6 13.395 13.716 4.688 35 HD1 TRP 6 HD1 TRP 6 12.017 10.871 3.224 36 HE1 TRP 6 HE1 TRP 6 9.547 10.461 3.105 37 HE3 TRP 6 HE3 TRP 6 10.410 15.639 4.295 38 HZ2 TRP 6 HZ2 TRP 6 7.121 12.022 3.383 39 HZ3 TRP 6 HZ3 TRP 6 8.044 16.018 4.327 40 HH2 TRP 6 HH2 TRP 6 6.428 14.256 3.874 41 H LYS 7 H LYS 7 13.892 16.232 5.311 42 HA LYS 7 HA LYS 7 16.673 16.063 4.343 43 1HB LYS 7 2HB LYS 7 15.521 18.703 4.779 44 2HB LYS 7 1HB LYS 7 16.899 18.341 3.867 45 1HG LYS 7 2HG LYS 7 15.580 17.147 2.172 46 2HG LYS 7 1HG LYS 7 14.105 17.321 2.829 47 1HD LYS 7 2HD LYS 7 14.057 18.774 1.106 48 2HD LYS 7 1HD LYS 7 14.686 20.014 2.084 49 1HE LYS 7 2HE LYS 7 16.525 18.196 0.473 50 2HE LYS 7 1HE LYS 7 15.636 19.502 -0.249 51 1HZ LYS 7 1HZ LYS 7 16.652 21.005 1.430 52 2HZ LYS 7 3HZ LYS 7 17.735 19.760 1.816 53 3HZ LYS 7 2HZ LYS 7 17.677 20.383 0.222 54 H VAL 8 H VAL 8 17.081 18.416 5.983 55 HA VAL 8 HA VAL 8 15.945 17.622 8.592 56 HB VAL 8 HB VAL 8 18.831 17.221 8.233 57 1HG1 VAL 8 2HG1 VAL 8 17.278 18.217 10.507 58 2HG1 VAL 8 1HG1 VAL 8 17.730 16.582 10.896 59 3HG1 VAL 8 3HG1 VAL 8 18.984 17.832 10.557 60 1HG2 VAL 8 3HG2 VAL 8 16.631 15.329 9.051 61 2HG2 VAL 8 2HG2 VAL 8 17.665 15.197 7.610 62 3HG2 VAL 8 1HG2 VAL 8 18.384 15.009 9.227 63 H ASP 9 H ASP 9 15.147 19.613 7.625 64 HA ASP 9 HA ASP 9 16.200 22.039 7.194 65 1HB ASP 9 2HB ASP 9 13.818 20.964 7.641 66 2HB ASP 9 1HB ASP 9 14.049 21.607 9.203 67 H ARG 10 H ARG 10 15.554 20.582 10.327 68 HA ARG 10 HA ARG 10 17.245 22.771 11.540 69 1HB ARG 10 2HB ARG 10 15.301 22.412 13.373 70 2HB ARG 10 1HB ARG 10 15.470 23.728 12.186 71 1HG ARG 10 2HG ARG 10 13.928 21.361 11.168 72 2HG ARG 10 1HG ARG 10 13.211 22.153 12.521 73 1HD ARG 10 2HD ARG 10 13.230 24.353 11.489 74 2HD ARG 10 1HD ARG 10 13.994 23.682 9.989 75 HE ARG 10 HE ARG 10 11.851 22.651 9.528 76 1HH1 ARG 10 1HH2 ARG 10 11.728 24.332 12.700 77 2HH1 ARG 10 2HH2 ARG 10 9.979 24.193 12.700 78 1HH2 ARG 10 1HH1 ARG 10 9.649 22.558 9.707 79 2HH2 ARG 10 2HH1 ARG 10 8.824 23.220 11.063 80 H ASN 11 H ASN 11 17.623 22.247 13.957 81 HA ASN 11 HA ASN 11 17.786 19.293 14.308 82 1HB ASN 11 2HB ASN 11 20.283 19.503 14.746 83 2HB ASN 11 1HB ASN 11 19.762 19.714 13.074 84 1HD2 ASN 11 1HD2 ASN 11 20.340 23.379 13.176 85 2HD2 ASN 11 2HD2 ASN 11 19.075 22.295 12.694 86 H GLU 12 H GLU 12 16.744 19.206 16.113 87 HA GLU 12 HA GLU 12 17.542 20.965 18.429 88 1HB GLU 12 2HB GLU 12 14.998 19.511 17.902 89 2HB GLU 12 1HB GLU 12 15.653 19.193 19.461 90 1HG GLU 12 2HG GLU 12 15.341 22.030 18.428 91 2HG GLU 12 1HG GLU 12 14.118 21.190 19.353 92 H ASN 13 H ASN 13 18.591 19.928 20.266 93 HA ASN 13 HA ASN 13 19.632 18.348 21.471 94 1HB ASN 13 2HB ASN 13 17.599 16.732 20.087 95 2HB ASN 13 1HB ASN 13 18.966 15.803 20.664 96 1HD2 ASN 13 2HD2 ASN 13 16.802 18.331 23.224 97 2HD2 ASN 13 1HD2 ASN 13 17.238 18.779 21.629 98 H TYR 14 H TYR 14 19.450 17.287 18.015 99 HA TYR 14 HA TYR 14 21.291 15.899 17.181 100 1HB TYR 14 2HB TYR 14 19.857 17.707 16.181 101 2HB TYR 14 1HB TYR 14 21.365 18.541 16.004 102 HD1 TYR 14 HD1 TYR 14 23.037 15.966 15.598 103 HD2 TYR 14 HD2 TYR 14 19.356 17.206 13.882 104 HE1 TYR 14 HE1 TYR 14 23.515 14.545 13.674 105 HE2 TYR 14 HE2 TYR 14 19.757 15.805 11.910 106 HH TYR 14 HH TYR 14 21.112 14.032 11.160 107 H GLU 15 H GLU 15 22.455 19.115 18.442 108 HA GLU 15 HA GLU 15 25.224 18.564 17.859 109 1HB GLU 15 2HB GLU 15 24.207 20.846 18.324 110 2HB GLU 15 1HB GLU 15 24.324 20.415 20.036 111 1HG GLU 15 2HG GLU 15 26.833 19.955 19.743 112 2HG GLU 15 1HG GLU 15 26.668 20.306 18.036 113 H LYS 16 H LYS 16 23.429 18.303 21.033 114 HA LYS 16 HA LYS 16 25.765 17.134 22.399 115 1HB LYS 16 2HB LYS 16 23.604 18.521 23.144 116 2HB LYS 16 1HB LYS 16 23.154 16.848 23.556 117 1HG LYS 16 2HG LYS 16 25.313 16.531 24.722 118 2HG LYS 16 1HG LYS 16 25.674 18.300 24.553 119 1HD LYS 16 2HD LYS 16 23.005 17.675 25.671 120 2HD LYS 16 1HD LYS 16 24.312 17.130 26.637 121 1HE LYS 16 2HE LYS 16 23.373 19.476 27.083 122 2HE LYS 16 1HE LYS 16 25.140 19.298 27.079 123 1HZ LYS 16 1HZ LYS 16 23.616 20.141 24.649 124 2HZ LYS 16 3HZ LYS 16 24.211 21.193 25.819 125 3HZ LYS 16 2HZ LYS 16 25.267 20.245 24.895 126 H PHE 17 H PHE 17 22.821 15.909 20.781 127 HA PHE 17 HA PHE 17 22.595 13.348 21.771 128 1HB PHE 17 2HB PHE 17 20.854 13.602 20.430 129 2HB PHE 17 1HB PHE 17 21.609 14.885 19.502 130 HD1 PHE 17 HD2 PHE 17 21.358 11.231 19.763 131 HD2 PHE 17 HD1 PHE 17 22.614 14.466 17.305 132 HE1 PHE 17 HE2 PHE 17 21.666 9.662 17.958 133 HE2 PHE 17 HE1 PHE 17 22.930 12.909 15.457 134 HZ PHE 17 HZ PHE 17 22.488 10.503 15.699 135 H MET 18 H MET 18 24.846 14.508 19.392 136 HA MET 18 HA MET 18 25.857 11.887 18.530 137 1HB MET 18 2HB MET 18 26.259 14.804 18.101 138 2HB MET 18 1HB MET 18 27.696 13.716 17.822 139 1HG MET 18 2HG MET 18 26.165 12.270 16.398 140 2HG MET 18 1HG MET 18 24.897 13.481 16.586 141 1HE MET 18 3HE MET 18 28.415 13.138 15.953 142 2HE MET 18 2HE MET 18 28.777 13.882 14.335 143 3HE MET 18 1HE MET 18 28.708 14.892 15.821 144 H GLU 19 H GLU 19 26.977 14.712 20.258 145 HA GLU 19 HA GLU 19 29.436 14.135 21.110 146 1HB GLU 19 2HB GLU 19 27.349 15.888 21.821 147 2HB GLU 19 1HB GLU 19 27.683 15.093 23.327 148 1HG GLU 19 2HG GLU 19 29.194 16.707 23.637 149 2HG GLU 19 1HG GLU 19 30.220 15.511 22.822 150 H LYS 20 H LYS 20 26.432 13.213 22.830 151 HA LYS 20 HA LYS 20 27.845 12.168 25.071 152 1HB LYS 20 2HB LYS 20 25.007 11.611 24.408 153 2HB LYS 20 1HB LYS 20 25.905 11.423 25.953 154 1HG LYS 20 2HG LYS 20 26.439 14.037 25.535 155 2HG LYS 20 1HG LYS 20 24.992 13.868 24.461 156 1HD LYS 20 2HD LYS 20 24.835 14.433 27.110 157 2HD LYS 20 1HD LYS 20 23.541 13.809 26.081 158 1HE LYS 20 2HE LYS 20 23.927 11.526 26.884 159 2HE LYS 20 1HE LYS 20 25.399 12.089 27.756 160 1HZ LYS 20 3HZ LYS 20 23.811 13.674 28.902 161 2HZ LYS 20 2HZ LYS 20 22.566 12.717 28.240 162 3HZ LYS 20 1HZ LYS 20 23.718 12.020 29.283 163 H MET 21 H MET 21 26.773 10.516 22.021 164 HA MET 21 HA MET 21 27.202 7.896 23.280 165 1HB MET 21 2HB MET 21 26.807 6.891 21.164 166 2HB MET 21 1HB MET 21 25.465 7.757 22.047 167 1HG MET 21 2HG MET 21 25.384 9.539 20.620 168 2HG MET 21 1HG MET 21 26.866 9.114 19.696 169 1HE MET 21 2HE MET 21 25.805 9.974 18.155 170 2HE MET 21 1HE MET 21 26.123 8.630 17.028 171 3HE MET 21 3HE MET 21 24.504 9.387 17.128 172 H GLY 22 H GLY 22 29.441 9.980 22.724 173 1HA GLY 22 1HA GLY 22 31.680 9.393 22.948 174 2HA GLY 22 2HA GLY 22 31.463 7.987 21.924 175 H ILE 23 H ILE 23 30.128 11.195 21.169 176 HA ILE 23 HA ILE 23 31.654 11.195 18.604 177 HB ILE 23 HB ILE 23 29.449 12.706 19.780 178 1HG1 ILE 23 2HG1 ILE 23 28.212 11.827 18.044 179 2HG1 ILE 23 1HG1 ILE 23 29.622 11.584 16.962 180 1HG2 ILE 23 3HG2 ILE 23 31.272 13.565 17.420 181 2HG2 ILE 23 2HG2 ILE 23 29.579 14.043 17.423 182 3HG2 ILE 23 1HG2 ILE 23 30.629 14.547 18.749 183 1HD1 ILE 23 2HD1 ILE 23 30.366 9.753 18.590 184 2HD1 ILE 23 1HD1 ILE 23 28.905 9.966 19.511 185 3HD1 ILE 23 3HD1 ILE 23 28.774 9.366 17.858 186 H ASN 24 H ASN 24 33.817 11.804 18.882 187 HA ASN 24 HA ASN 24 34.776 13.397 20.938 188 1HB ASN 24 2HB ASN 24 36.131 11.951 19.963 189 2HB ASN 24 1HB ASN 24 35.984 12.781 18.407 190 1HD2 ASN 24 2HD2 ASN 24 38.778 14.023 21.102 191 2HD2 ASN 24 1HD2 ASN 24 37.823 12.615 21.341 192 H VAL 25 H VAL 25 35.650 15.601 20.885 193 HA VAL 25 HA VAL 25 33.825 17.527 19.969 194 HB VAL 25 HB VAL 25 34.826 19.192 20.749 195 1HG1 VAL 25 1HG1 VAL 25 34.649 16.687 22.504 196 2HG1 VAL 25 3HG1 VAL 25 34.833 18.307 23.194 197 3HG1 VAL 25 2HG1 VAL 25 33.406 17.953 22.221 198 1HG2 VAL 25 1HG2 VAL 25 37.079 17.160 21.377 199 2HG2 VAL 25 3HG2 VAL 25 37.261 18.769 20.606 200 3HG2 VAL 25 2HG2 VAL 25 36.963 18.598 22.366 201 H VAL 26 H VAL 26 36.476 16.230 18.148 202 HA VAL 26 HA VAL 26 37.348 18.379 16.598 203 HB VAL 26 HB VAL 26 37.263 15.504 16.115 204 1HG1 VAL 26 1HG1 VAL 26 36.853 16.458 13.903 205 2HG1 VAL 26 3HG1 VAL 26 38.245 17.530 14.038 206 3HG1 VAL 26 2HG1 VAL 26 38.507 15.782 14.037 207 1HG2 VAL 26 1HG2 VAL 26 38.884 17.532 17.387 208 2HG2 VAL 26 3HG2 VAL 26 39.542 15.978 16.875 209 3HG2 VAL 26 2HG2 VAL 26 39.696 17.358 15.809 210 H LYS 27 H LYS 27 34.364 16.658 16.600 211 HA LYS 27 HA LYS 27 33.376 17.483 13.962 212 1HB LYS 27 2HB LYS 27 31.711 16.535 16.192 213 2HB LYS 27 1HB LYS 27 31.466 16.451 14.424 214 1HG LYS 27 2HG LYS 27 33.169 14.628 16.189 215 2HG LYS 27 1HG LYS 27 32.094 14.125 15.000 216 1HD LYS 27 2HD LYS 27 34.866 15.320 14.510 217 2HD LYS 27 1HD LYS 27 34.341 13.685 14.285 218 1HE LYS 27 2HE LYS 27 32.934 14.217 12.330 219 2HE LYS 27 1HE LYS 27 33.104 15.908 12.592 220 1HZ LYS 27 2HZ LYS 27 35.629 15.368 12.275 221 2HZ LYS 27 1HZ LYS 27 34.984 14.119 11.342 222 3HZ LYS 27 3HZ LYS 27 34.538 15.729 11.024 223 H ARG 28 H ARG 28 33.452 18.579 17.272 224 HA ARG 28 HA ARG 28 31.279 20.277 17.469 225 1HB ARG 28 2HB ARG 28 33.049 19.674 19.178 226 2HB ARG 28 1HB ARG 28 33.893 21.140 18.580 227 1HG ARG 28 2HG ARG 28 32.100 22.565 19.196 228 2HG ARG 28 1HG ARG 28 30.961 21.217 19.426 229 1HD ARG 28 2HD ARG 28 33.493 21.274 21.058 230 2HD ARG 28 1HD ARG 28 32.361 22.467 21.437 231 HE ARG 28 HE ARG 28 32.117 19.639 22.040 232 1HH1 ARG 28 1HH2 ARG 28 30.222 22.755 21.941 233 2HH1 ARG 28 2HH2 ARG 28 29.086 22.080 23.036 234 1HH2 ARG 28 1HH1 ARG 28 30.409 18.978 23.524 235 2HH2 ARG 28 2HH1 ARG 28 29.161 20.115 23.842 236 H LYS 29 H LYS 29 34.155 20.548 15.616 237 HA LYS 29 HA LYS 29 34.792 23.197 15.262 238 1HB LYS 29 2HB LYS 29 35.023 20.804 13.623 239 2HB LYS 29 1HB LYS 29 34.830 22.369 12.737 240 1HG LYS 29 2HG LYS 29 37.097 22.340 13.053 241 2HG LYS 29 1HG LYS 29 36.483 23.344 14.386 242 1HD LYS 29 2HD LYS 29 37.031 21.788 16.041 243 2HD LYS 29 1HD LYS 29 36.942 20.443 14.906 244 1HE LYS 29 2HE LYS 29 39.313 21.786 15.784 245 2HE LYS 29 1HE LYS 29 39.129 20.373 14.724 246 1HZ LYS 29 2HZ LYS 29 38.906 23.084 13.607 247 2HZ LYS 29 1HZ LYS 29 40.370 22.301 13.814 248 3HZ LYS 29 3HZ LYS 29 39.209 21.569 12.862 249 H LEU 30 H LEU 30 32.020 21.349 14.219 250 HA LEU 30 HA LEU 30 30.668 23.872 13.325 251 1HB LEU 30 2HB LEU 30 30.818 21.293 11.780 252 2HB LEU 30 1HB LEU 30 29.477 22.412 11.548 253 HG LEU 30 HG LEU 30 32.421 22.925 11.097 254 1HD1 LEU 30 1HD1 LEU 30 30.082 22.228 9.276 255 2HD1 LEU 30 3HD1 LEU 30 31.379 23.248 8.681 256 3HD1 LEU 30 2HD1 LEU 30 31.718 21.592 9.298 257 1HD2 LEU 30 1HD2 LEU 30 30.036 24.847 10.900 258 2HD2 LEU 30 3HD2 LEU 30 31.573 25.147 11.729 259 3HD2 LEU 30 2HD2 LEU 30 31.529 25.128 9.961 260 H GLY 31 H GLY 31 30.388 20.383 14.081 261 1HA GLY 31 1HA GLY 31 28.998 19.413 15.738 262 2HA GLY 31 2HA GLY 31 28.187 20.937 15.960 263 H ALA 32 H ALA 32 26.401 19.191 15.851 264 HA ALA 32 HA ALA 32 25.466 17.910 13.586 265 1HB ALA 32 3HB ALA 32 24.004 19.238 15.818 266 2HB ALA 32 2HB ALA 32 23.170 18.322 14.490 267 3HB ALA 32 1HB ALA 32 24.363 17.527 15.522 268 H HIS 33 H HIS 33 25.110 18.554 11.576 269 HA HIS 33 HA HIS 33 23.494 20.867 10.902 270 1HB HIS 33 2HB HIS 33 25.674 21.911 11.319 271 2HB HIS 33 1HB HIS 33 26.515 20.710 10.339 272 HD1 HIS 33 HD1 HIS 33 27.533 22.307 8.714 273 HD2 HIS 33 HD2 HIS 33 23.326 22.455 8.883 274 HE1 HIS 33 HE1 HIS 33 26.763 23.685 6.720 275 HE2 HIS 33 HE2 HIS 33 24.196 23.787 6.789 276 H ASP 34 H ASP 34 22.386 18.890 10.094 277 HA ASP 34 HA ASP 34 23.547 17.292 8.072 278 1HB ASP 34 2HB ASP 34 20.817 17.669 9.016 279 2HB ASP 34 1HB ASP 34 21.074 16.860 7.469 280 H ASN 35 H ASN 35 20.861 19.540 7.723 281 HA ASN 35 HA ASN 35 20.185 20.931 6.045 282 1HB ASN 35 2HB ASN 35 22.707 21.493 6.753 283 2HB ASN 35 1HB ASN 35 23.050 21.173 5.059 284 1HD2 ASN 35 1HD2 ASN 35 20.359 24.257 5.750 285 2HD2 ASN 35 2HD2 ASN 35 20.202 22.752 6.663 286 H LEU 36 H LEU 36 19.354 18.556 4.876 287 HA LEU 36 HA LEU 36 20.542 18.841 2.188 288 1HB LEU 36 2HB LEU 36 22.275 17.665 3.449 289 2HB LEU 36 1HB LEU 36 21.143 16.517 3.968 290 HG LEU 36 HG LEU 36 21.537 15.199 2.288 291 1HD1 LEU 36 3HD1 LEU 36 20.490 17.517 0.593 292 2HD1 LEU 36 2HD1 LEU 36 21.544 16.413 -0.248 293 3HD1 LEU 36 1HD1 LEU 36 20.057 15.778 0.452 294 1HD2 LEU 36 1HD2 LEU 36 23.743 16.454 2.449 295 2HD2 LEU 36 3HD2 LEU 36 23.477 15.945 0.740 296 3HD2 LEU 36 2HD2 LEU 36 23.109 17.631 1.262 297 H LYS 37 H LYS 37 19.800 15.546 2.894 298 HA LYS 37 HA LYS 37 17.048 15.717 2.544 299 1HB LYS 37 2HB LYS 37 18.224 16.085 0.055 300 2HB LYS 37 1HB LYS 37 18.142 14.360 0.081 301 1HG LYS 37 2HG LYS 37 15.898 14.256 0.735 302 2HG LYS 37 1HG LYS 37 15.669 15.999 0.637 303 1HD LYS 37 2HD LYS 37 16.257 13.939 -1.479 304 2HD LYS 37 1HD LYS 37 15.145 15.339 -1.614 305 1HE LYS 37 2HE LYS 37 18.265 15.333 -1.761 306 2HE LYS 37 1HE LYS 37 17.197 15.362 -3.122 307 1HZ LYS 37 1HZ LYS 37 16.997 17.528 -1.199 308 2HZ LYS 37 3HZ LYS 37 18.281 17.471 -2.264 309 3HZ LYS 37 2HZ LYS 37 16.704 17.512 -2.890 310 H LEU 38 H LEU 38 17.047 14.217 4.168 311 HA LEU 38 HA LEU 38 18.514 11.765 4.235 312 1HB LEU 38 2HB LEU 38 15.539 12.334 5.006 313 2HB LEU 38 1HB LEU 38 16.311 10.863 5.179 314 HG LEU 38 HG LEU 38 17.107 13.510 6.555 315 1HD1 LEU 38 1HD1 LEU 38 15.602 10.959 7.142 316 2HD1 LEU 38 3HD1 LEU 38 16.375 11.774 8.484 317 3HD1 LEU 38 2HD1 LEU 38 15.074 12.628 7.570 318 1HD2 LEU 38 1HD2 LEU 38 18.884 11.323 6.092 319 2HD2 LEU 38 3HD2 LEU 38 18.761 12.083 7.721 320 3HD2 LEU 38 2HD2 LEU 38 17.855 10.628 7.358 321 H THR 39 H THR 39 15.695 13.050 2.728 322 HA THR 39 HA THR 39 14.189 12.528 1.293 323 HB THR 39 HB THR 39 15.943 10.490 -0.076 324 HG1 THR 39 1HG THR 39 16.978 12.580 0.833 325 1HG2 THR 39 2HG2 THR 39 13.864 11.427 -1.347 326 2HG2 THR 39 1HG2 THR 39 14.686 12.990 -1.449 327 3HG2 THR 39 3HG2 THR 39 15.421 11.599 -2.169 328 H ILE 40 H ILE 40 12.458 10.739 1.097 329 HA ILE 40 HA ILE 40 13.414 7.981 1.837 330 HB ILE 40 HB ILE 40 11.038 9.232 3.221 331 1HG1 ILE 40 2HG1 ILE 40 13.553 8.115 4.608 332 2HG1 ILE 40 1HG1 ILE 40 13.677 9.677 3.909 333 1HG2 ILE 40 1HG2 ILE 40 12.122 6.402 3.251 334 2HG2 ILE 40 3HG2 ILE 40 10.968 7.100 4.413 335 3HG2 ILE 40 2HG2 ILE 40 10.536 6.968 2.723 336 1HD1 ILE 40 1HD1 ILE 40 11.373 10.211 5.279 337 2HD1 ILE 40 3HD1 ILE 40 12.119 8.991 6.374 338 3HD1 ILE 40 2HD1 ILE 40 12.993 10.425 5.872 339 H THR 41 H THR 41 13.008 6.845 0.099 340 HA THR 41 HA THR 41 10.260 7.000 -1.133 341 HB THR 41 HB THR 41 12.807 6.137 -2.422 342 HG1 THR 41 1HG THR 41 11.176 8.335 -2.911 343 1HG2 THR 41 3HG2 THR 41 9.933 6.453 -3.499 344 2HG2 THR 41 2HG2 THR 41 11.338 6.121 -4.487 345 3HG2 THR 41 1HG2 THR 41 10.770 4.874 -3.339 346 H GLN 42 H GLN 42 9.272 5.372 0.138 347 HA GLN 42 HA GLN 42 10.354 2.999 1.062 348 1HB GLN 42 2HB GLN 42 7.937 4.203 1.225 349 2HB GLN 42 1HB GLN 42 7.564 3.297 -0.240 350 1HG GLN 42 2HG GLN 42 8.674 1.487 1.788 351 2HG GLN 42 1HG GLN 42 7.323 2.391 2.444 352 1HE2 GLN 42 2HE2 GLN 42 6.375 -0.831 0.712 353 2HE2 GLN 42 1HE2 GLN 42 7.717 -0.414 1.749 354 H GLU 43 H GLU 43 10.295 0.932 0.406 355 HA GLU 43 HA GLU 43 9.839 0.308 -2.469 356 1HB GLU 43 2HB GLU 43 12.395 0.680 -1.132 357 2HB GLU 43 1HB GLU 43 12.209 -1.003 -1.499 358 1HG GLU 43 2HG GLU 43 11.993 1.318 -3.505 359 2HG GLU 43 1HG GLU 43 13.381 0.136 -3.321 360 H GLY 44 H GLY 44 10.462 -2.333 -2.372 361 1HA GLY 44 1HA GLY 44 8.443 -3.538 -0.722 362 2HA GLY 44 2HA GLY 44 9.717 -4.372 -1.669 363 H ASN 45 H ASN 45 8.717 -3.048 1.355 364 HA ASN 45 HA ASN 45 9.428 -3.204 3.466 365 1HB ASN 45 2HB ASN 45 11.308 -5.368 2.304 366 2HB ASN 45 1HB ASN 45 11.445 -4.791 3.966 367 1HD2 ASN 45 1HD2 ASN 45 9.153 -7.156 5.021 368 2HD2 ASN 45 2HD2 ASN 45 10.729 -6.456 5.175 369 H LYS 46 H LYS 46 12.443 -3.387 1.372 370 HA LYS 46 HA LYS 46 13.926 -1.682 3.090 371 1HB LYS 46 2HB LYS 46 15.404 -2.220 1.462 372 2HB LYS 46 1HB LYS 46 14.048 -2.629 0.363 373 1HG LYS 46 2HG LYS 46 13.999 -0.127 -0.257 374 2HG LYS 46 1HG LYS 46 15.547 -0.006 0.615 375 1HD LYS 46 2HD LYS 46 14.845 -1.483 -1.905 376 2HD LYS 46 1HD LYS 46 16.138 -0.373 -1.635 377 1HE LYS 46 2HE LYS 46 17.186 -2.107 0.050 378 2HE LYS 46 1HE LYS 46 15.948 -3.216 -0.496 379 1HZ LYS 46 2HZ LYS 46 17.548 -1.873 -2.515 380 2HZ LYS 46 1HZ LYS 46 18.341 -3.018 -1.536 381 3HZ LYS 46 3HZ LYS 46 16.998 -3.462 -2.476 382 H PHE 47 H PHE 47 14.753 0.427 2.476 383 HA PHE 47 HA PHE 47 12.818 1.991 0.846 384 1HB PHE 47 2HB PHE 47 13.716 3.404 3.330 385 2HB PHE 47 1HB PHE 47 12.459 3.781 2.106 386 HD1 PHE 47 HD2 PHE 47 12.770 0.647 4.267 387 HD2 PHE 47 HD1 PHE 47 10.515 4.072 3.032 388 HE1 PHE 47 HE2 PHE 47 10.778 -0.116 5.576 389 HE2 PHE 47 HE1 PHE 47 8.549 3.276 4.345 390 HZ PHE 47 HZ PHE 47 8.710 1.130 5.640 391 H THR 48 H THR 48 13.766 2.823 -0.633 392 HA THR 48 HA THR 48 16.611 3.352 -0.868 393 HB THR 48 HB THR 48 15.277 4.962 -2.799 394 HG1 THR 48 1HG THR 48 13.532 4.063 -3.290 395 1HG2 THR 48 3HG2 THR 48 17.374 3.588 -3.038 396 2HG2 THR 48 2HG2 THR 48 16.418 2.110 -3.172 397 3HG2 THR 48 1HG2 THR 48 16.295 3.419 -4.399 398 H VAL 49 H VAL 49 16.906 4.392 1.004 399 HA VAL 49 HA VAL 49 15.550 7.058 1.184 400 HB VAL 49 HB VAL 49 16.552 5.059 3.044 401 1HG1 VAL 49 2HG1 VAL 49 17.686 7.881 3.471 402 2HG1 VAL 49 1HG1 VAL 49 17.670 6.632 4.702 403 3HG1 VAL 49 3HG1 VAL 49 18.597 6.347 3.239 404 1HG2 VAL 49 1HG2 VAL 49 14.300 6.425 3.051 405 2HG2 VAL 49 3HG2 VAL 49 15.102 6.215 4.631 406 3HG2 VAL 49 2HG2 VAL 49 15.223 7.760 3.735 407 H LYS 50 H LYS 50 16.939 8.894 1.297 408 HA LYS 50 HA LYS 50 19.539 8.436 -0.107 409 1HB LYS 50 2HB LYS 50 17.764 10.268 -0.561 410 2HB LYS 50 1HB LYS 50 18.452 11.101 0.819 411 1HG LYS 50 2HG LYS 50 20.410 11.625 -0.446 412 2HG LYS 50 1HG LYS 50 20.379 10.011 -1.235 413 1HD LYS 50 2HD LYS 50 18.153 11.240 -2.204 414 2HD LYS 50 1HD LYS 50 19.407 12.585 -2.140 415 1HE LYS 50 2HE LYS 50 21.000 10.787 -3.195 416 2HE LYS 50 1HE LYS 50 19.461 9.885 -3.522 417 1HZ LYS 50 1HZ LYS 50 19.083 12.526 -4.244 418 2HZ LYS 50 3HZ LYS 50 20.580 12.117 -4.872 419 3HZ LYS 50 2HZ LYS 50 19.210 11.214 -5.264 420 H GLU 51 H GLU 51 20.093 11.139 1.377 421 HA GLU 51 HA GLU 51 20.293 11.616 3.569 422 1HB GLU 51 2HB GLU 51 20.527 9.167 4.466 423 2HB GLU 51 1HB GLU 51 21.982 8.992 3.475 424 1HG GLU 51 2HG GLU 51 23.263 10.436 4.977 425 2HG GLU 51 1HG GLU 51 21.740 10.941 5.763 426 H SER 52 H SER 52 21.090 12.936 1.853 427 HA SER 52 HA SER 52 23.927 12.447 0.989 428 1HB SER 52 2HB SER 52 21.777 14.345 0.178 429 2HB SER 52 1HB SER 52 23.537 14.449 -0.372 430 HG SER 52 HG SER 52 23.272 12.250 -0.793 431 H SER 53 H SER 53 22.346 13.830 3.570 432 HA SER 53 HA SER 53 22.975 16.083 4.445 433 1HB SER 53 2HB SER 53 24.104 15.315 6.530 434 2HB SER 53 1HB SER 53 22.445 14.797 6.196 435 HG SER 53 HG SER 53 24.224 13.044 5.136 436 H ASN 54 H ASN 54 24.367 17.490 3.962 437 HA ASN 54 HA ASN 54 26.535 17.802 2.644 438 1HB ASN 54 2HB ASN 54 25.393 19.410 4.199 439 2HB ASN 54 1HB ASN 54 26.581 18.960 5.449 440 1HD2 ASN 54 2HD2 ASN 54 28.461 21.697 4.195 441 2HD2 ASN 54 1HD2 ASN 54 27.430 21.136 5.484 442 H PHE 55 H PHE 55 27.289 15.159 3.452 443 HA PHE 55 HA PHE 55 30.065 15.536 4.315 444 1HB PHE 55 2HB PHE 55 27.999 14.112 6.069 445 2HB PHE 55 1HB PHE 55 29.754 14.019 6.325 446 HD1 PHE 55 HD1 PHE 55 30.909 16.342 6.651 447 HD2 PHE 55 HD2 PHE 55 26.691 15.734 7.266 448 HE1 PHE 55 HE1 PHE 55 30.887 18.324 8.009 449 HE2 PHE 55 HE2 PHE 55 26.669 17.742 8.652 450 HZ PHE 55 HZ PHE 55 28.713 19.048 9.050 451 H ARG 56 H ARG 56 27.230 13.363 4.284 452 HA ARG 56 HA ARG 56 29.147 11.229 3.304 453 1HB ARG 56 2HB ARG 56 26.498 10.788 4.714 454 2HB ARG 56 1HB ARG 56 27.749 9.595 4.318 455 1HG ARG 56 2HG ARG 56 28.373 11.893 6.154 456 2HG ARG 56 1HG ARG 56 27.513 10.491 6.783 457 1HD ARG 56 2HD ARG 56 29.319 9.175 6.826 458 2HD ARG 56 1HD ARG 56 29.896 9.670 5.202 459 HE ARG 56 HE ARG 56 30.292 11.620 7.366 460 1HH1 ARG 56 1HH1 ARG 56 31.725 8.986 5.271 461 2HH1 ARG 56 2HH1 ARG 56 33.315 9.550 5.660 462 1HH2 ARG 56 2HH2 ARG 56 32.430 12.152 7.700 463 2HH2 ARG 56 1HH2 ARG 56 33.768 11.272 6.977 464 H ASN 57 H ASN 57 28.193 13.071 1.719 465 HA ASN 57 HA ASN 57 25.812 12.990 0.480 466 1HB ASN 57 2HB ASN 57 26.848 14.118 -1.310 467 2HB ASN 57 1HB ASN 57 27.788 14.467 0.171 468 1HD2 ASN 57 2HD2 ASN 57 30.425 12.011 -0.872 469 2HD2 ASN 57 1HD2 ASN 57 29.235 12.075 0.413 470 H ILE 58 H ILE 58 24.982 10.926 0.623 471 HA ILE 58 HA ILE 58 25.456 9.255 -1.663 472 HB ILE 58 HB ILE 58 27.117 8.692 0.307 473 1HG1 ILE 58 2HG1 ILE 58 25.783 6.197 -0.685 474 2HG1 ILE 58 1HG1 ILE 58 26.324 7.416 -1.872 475 1HG2 ILE 58 2HG2 ILE 58 24.539 7.238 1.239 476 2HG2 ILE 58 1HG2 ILE 58 26.145 6.876 1.832 477 3HG2 ILE 58 3HG2 ILE 58 25.432 8.446 2.157 478 1HD1 ILE 58 2HD1 ILE 58 28.630 7.375 -0.724 479 2HD1 ILE 58 1HD1 ILE 58 28.062 6.020 0.245 480 3HD1 ILE 58 3HD1 ILE 58 28.125 5.872 -1.529 481 H ASP 59 H ASP 59 24.083 7.161 -1.153 482 HA ASP 59 HA ASP 59 21.465 8.172 0.008 483 1HB ASP 59 2HB ASP 59 20.728 6.146 -1.532 484 2HB ASP 59 1HB ASP 59 20.791 7.794 -2.101 485 H VAL 60 H VAL 60 20.345 6.432 1.181 486 HA VAL 60 HA VAL 60 22.105 4.080 1.693 487 HB VAL 60 HB VAL 60 20.726 5.863 3.764 488 1HG1 VAL 60 3HG1 VAL 60 21.330 3.036 3.905 489 2HG1 VAL 60 2HG1 VAL 60 22.393 3.897 5.017 490 3HG1 VAL 60 1HG1 VAL 60 20.613 4.112 5.106 491 1HG2 VAL 60 3HG2 VAL 60 23.655 5.243 3.029 492 2HG2 VAL 60 2HG2 VAL 60 22.852 6.841 3.215 493 3HG2 VAL 60 1HG2 VAL 60 23.224 5.820 4.637 494 H VAL 61 H VAL 61 21.103 2.464 0.956 495 HA VAL 61 HA VAL 61 18.122 2.262 1.288 496 HB VAL 61 HB VAL 61 18.350 2.154 -0.898 497 1HG1 VAL 61 2HG1 VAL 61 21.124 0.937 -0.411 498 2HG1 VAL 61 1HG1 VAL 61 20.474 0.926 -2.047 499 3HG1 VAL 61 3HG1 VAL 61 20.801 2.464 -1.188 500 1HG2 VAL 61 3HG2 VAL 61 17.590 -0.147 0.071 501 2HG2 VAL 61 2HG2 VAL 61 18.173 -0.254 -1.597 502 3HG2 VAL 61 1HG2 VAL 61 19.215 -0.788 -0.258 503 H PHE 62 H PHE 62 17.362 0.659 2.500 504 HA PHE 62 HA PHE 62 19.056 -1.722 3.046 505 1HB PHE 62 2HB PHE 62 18.567 -1.400 5.527 506 2HB PHE 62 1HB PHE 62 19.821 -0.394 4.837 507 HD1 PHE 62 HD1 PHE 62 19.298 2.074 4.459 508 HD2 PHE 62 HD2 PHE 62 16.416 -0.498 6.392 509 HE1 PHE 62 HE1 PHE 62 18.125 4.055 5.236 510 HE2 PHE 62 HE2 PHE 62 15.232 1.431 7.184 511 HZ PHE 62 HZ PHE 62 16.041 3.726 6.636 512 H GLU 63 H GLU 63 17.787 -3.406 3.272 513 HA GLU 63 HA GLU 63 14.878 -3.333 2.919 514 1HB GLU 63 2HB GLU 63 16.739 -5.224 2.257 515 2HB GLU 63 1HB GLU 63 16.022 -5.901 3.740 516 1HG GLU 63 2HG GLU 63 13.739 -5.035 2.578 517 2HG GLU 63 1HG GLU 63 14.658 -4.937 1.147 518 H LEU 64 H LEU 64 15.074 -1.689 4.909 519 HA LEU 64 HA LEU 64 14.586 -1.273 7.140 520 1HB LEU 64 2HB LEU 64 13.045 -3.761 6.387 521 2HB LEU 64 1HB LEU 64 12.954 -3.158 8.050 522 HG LEU 64 HG LEU 64 12.323 -1.136 5.942 523 1HD1 LEU 64 3HD1 LEU 64 11.105 -3.399 5.378 524 2HD1 LEU 64 2HD1 LEU 64 10.184 -3.105 6.888 525 3HD1 LEU 64 1HD1 LEU 64 10.060 -1.990 5.501 526 1HD2 LEU 64 3HD2 LEU 64 11.637 -1.892 8.813 527 2HD2 LEU 64 2HD2 LEU 64 12.047 -0.347 8.121 528 3HD2 LEU 64 1HD2 LEU 64 10.391 -0.960 7.920 529 H GLY 65 H GLY 65 16.734 -1.680 8.166 530 1HA GLY 65 1HA GLY 65 17.638 -2.551 10.030 531 2HA GLY 65 2HA GLY 65 16.398 -3.764 10.091 532 H VAL 66 H VAL 66 19.420 -2.942 8.322 533 HA VAL 66 HA VAL 66 19.814 -5.933 7.937 534 HB VAL 66 HB VAL 66 20.970 -5.455 5.927 535 1HG1 VAL 66 1HG1 VAL 66 18.301 -5.673 6.160 536 2HG1 VAL 66 3HG1 VAL 66 18.279 -4.011 5.634 537 3HG1 VAL 66 2HG1 VAL 66 19.008 -5.270 4.602 538 1HG2 VAL 66 3HG2 VAL 66 20.748 -2.641 6.910 539 2HG2 VAL 66 2HG2 VAL 66 21.796 -3.295 5.626 540 3HG2 VAL 66 1HG2 VAL 66 20.120 -2.794 5.269 541 H ASP 67 H ASP 67 20.663 -4.865 10.245 542 HA ASP 67 HA ASP 67 22.460 -4.352 11.557 543 1HB ASP 67 2HB ASP 67 24.098 -6.346 10.439 544 2HB ASP 67 1HB ASP 67 23.444 -6.049 12.079 545 H PHE 68 H PHE 68 23.076 -2.268 11.084 546 HA PHE 68 HA PHE 68 24.985 -1.802 8.868 547 1HB PHE 68 2HB PHE 68 23.735 0.063 10.891 548 2HB PHE 68 1HB PHE 68 25.204 0.492 10.001 549 HD1 PHE 68 HD2 PHE 68 21.639 -0.658 9.508 550 HD2 PHE 68 HD1 PHE 68 25.013 1.375 7.783 551 HE1 PHE 68 HE2 PHE 68 20.277 0.020 7.638 552 HE2 PHE 68 HE1 PHE 68 23.636 2.074 5.883 553 HZ PHE 68 HZ PHE 68 21.287 1.439 5.739 554 H ALA 69 H ALA 69 25.277 -1.201 12.380 555 HA ALA 69 HA ALA 69 27.204 -1.083 13.707 556 1HB ALA 69 1HB ALA 69 27.953 -3.323 11.742 557 2HB ALA 69 3HB ALA 69 29.002 -2.831 13.092 558 3HB ALA 69 2HB ALA 69 27.370 -3.543 13.414 559 H TYR 70 H TYR 70 26.708 0.605 11.568 560 HA TYR 70 HA TYR 70 29.445 1.412 10.762 561 1HB TYR 70 2HB TYR 70 28.388 1.308 8.658 562 2HB TYR 70 1HB TYR 70 26.756 1.400 9.407 563 HD1 TYR 70 HD2 TYR 70 29.721 3.834 9.119 564 HD2 TYR 70 HD1 TYR 70 25.509 3.162 8.755 565 HE1 TYR 70 HE2 TYR 70 29.401 6.197 8.429 566 HE2 TYR 70 HE1 TYR 70 25.152 5.518 8.061 567 HH TYR 70 HH TYR 70 27.371 7.398 6.903 568 H SER 71 H SER 71 30.051 2.947 12.172 569 HA SER 71 HA SER 71 28.606 4.153 14.109 570 1HB SER 71 2HB SER 71 30.322 5.418 14.483 571 2HB SER 71 1HB SER 71 31.122 4.430 13.249 572 HG SER 71 HG SER 71 30.550 6.068 11.765 573 H LEU 72 H LEU 72 27.703 5.991 14.516 574 HA LEU 72 HA LEU 72 26.040 7.136 12.376 575 1HB LEU 72 2HB LEU 72 25.121 6.420 14.706 576 2HB LEU 72 1HB LEU 72 26.249 7.517 15.486 577 HG LEU 72 HG LEU 72 24.111 8.400 15.531 578 1HD1 LEU 72 1HD1 LEU 72 25.945 10.095 15.091 579 2HD1 LEU 72 3HD1 LEU 72 25.507 9.995 13.353 580 3HD1 LEU 72 2HD1 LEU 72 24.339 10.610 14.513 581 1HD2 LEU 72 1HD2 LEU 72 23.548 7.102 13.224 582 2HD2 LEU 72 3HD2 LEU 72 22.540 8.498 13.741 583 3HD2 LEU 72 2HD2 LEU 72 23.803 8.699 12.515 584 H ALA 73 H ALA 73 27.221 8.389 11.260 585 HA ALA 73 HA ALA 73 28.897 9.871 10.584 586 1HB ALA 73 2HB ALA 73 26.728 10.914 10.503 587 2HB ALA 73 1HB ALA 73 27.021 11.697 12.087 588 3HB ALA 73 3HB ALA 73 28.105 12.041 10.728 589 H ASP 74 H ASP 74 30.294 8.641 12.239 590 HA ASP 74 HA ASP 74 32.465 9.077 13.165 591 1HB ASP 74 2HB ASP 74 31.997 11.584 12.891 592 2HB ASP 74 1HB ASP 74 31.886 11.396 14.651 593 H GLY 75 H GLY 75 29.761 8.013 14.346 594 1HA GLY 75 1HA GLY 75 30.427 8.417 17.225 595 2HA GLY 75 2HA GLY 75 28.842 7.858 16.684 596 H THR 76 H THR 76 32.032 6.535 15.829 597 HA THR 76 HA THR 76 33.030 4.519 16.292 598 HB THR 76 HB THR 76 32.094 5.356 18.624 599 HG1 THR 76 1HG THR 76 33.538 3.940 19.247 600 1HG2 THR 76 1HG2 THR 76 30.788 2.561 18.143 601 2HG2 THR 76 3HG2 THR 76 31.564 2.927 19.676 602 3HG2 THR 76 2HG2 THR 76 30.178 3.878 19.195 603 H GLU 77 H GLU 77 29.388 4.020 16.747 604 HA GLU 77 HA GLU 77 29.486 2.128 14.461 605 1HB GLU 77 2HB GLU 77 29.589 1.315 17.335 606 2HB GLU 77 1HB GLU 77 28.436 0.450 16.425 607 1HG GLU 77 2HG GLU 77 30.141 -1.048 15.968 608 2HG GLU 77 1HG GLU 77 30.616 0.114 14.699 609 H LEU 78 H LEU 78 27.405 0.542 14.727 610 HA LEU 78 HA LEU 78 25.195 1.236 16.240 611 1HB LEU 78 2HB LEU 78 25.794 3.074 14.010 612 2HB LEU 78 1HB LEU 78 24.419 2.200 13.424 613 HG LEU 78 HG LEU 78 24.533 4.281 15.548 614 1HD1 LEU 78 3HD1 LEU 78 23.444 3.931 13.030 615 2HD1 LEU 78 2HD1 LEU 78 22.026 4.047 14.136 616 3HD1 LEU 78 1HD1 LEU 78 23.222 5.327 14.070 617 1HD2 LEU 78 1HD2 LEU 78 22.579 1.863 15.300 618 2HD2 LEU 78 3HD2 LEU 78 23.370 2.353 16.832 619 3HD2 LEU 78 2HD2 LEU 78 22.023 3.293 16.123 620 H THR 79 H THR 79 25.752 -0.955 16.022 621 HA THR 79 HA THR 79 25.508 -2.671 13.715 622 HB THR 79 HB THR 79 26.488 -3.355 15.839 623 HG1 THR 79 1HG THR 79 24.400 -5.067 15.072 624 1HG2 THR 79 1HG2 THR 79 24.145 -2.513 17.064 625 2HG2 THR 79 3HG2 THR 79 23.860 -4.253 17.026 626 3HG2 THR 79 2HG2 THR 79 25.283 -3.610 17.829 627 H GLY 80 H GLY 80 23.335 -1.002 15.773 628 1HA GLY 80 1HA GLY 80 20.869 -2.288 15.564 629 2HA GLY 80 2HA GLY 80 21.085 -0.487 15.503 630 H THR 81 H THR 81 19.182 -2.144 14.232 631 HA THR 81 HA THR 81 19.828 -1.650 11.364 632 HB THR 81 HB THR 81 19.038 -3.738 10.933 633 HG1 THR 81 1HG THR 81 17.151 -3.616 13.074 634 1HG2 THR 81 2HG2 THR 81 20.613 -4.285 12.713 635 2HG2 THR 81 1HG2 THR 81 19.306 -4.086 13.911 636 3HG2 THR 81 3HG2 THR 81 19.199 -5.394 12.739 637 H TRP 82 H TRP 82 18.889 0.277 11.127 638 HA TRP 82 HA TRP 82 16.462 0.924 12.520 639 1HB TRP 82 2HB TRP 82 15.916 2.623 10.756 640 2HB TRP 82 1HB TRP 82 17.341 2.915 11.768 641 HD1 TRP 82 HD1 TRP 82 18.779 0.837 8.994 642 HE1 TRP 82 HE1 TRP 82 19.669 2.465 7.262 643 HE3 TRP 82 HE3 TRP 82 16.536 5.163 10.521 644 HZ2 TRP 82 HZ2 TRP 82 19.470 5.306 6.588 645 HZ3 TRP 82 HZ3 TRP 82 16.863 7.244 9.376 646 HH2 TRP 82 HH2 TRP 82 18.389 7.334 7.340 647 H THR 83 H THR 83 14.411 0.984 11.910 648 HA THR 83 HA THR 83 13.458 -0.309 9.390 649 HB THR 83 HB THR 83 12.008 -1.846 10.834 650 HG1 THR 83 1HG THR 83 14.131 -1.672 12.626 651 1HG2 THR 83 3HG2 THR 83 14.885 -2.341 10.033 652 2HG2 THR 83 2HG2 THR 83 14.350 -3.395 11.391 653 3HG2 THR 83 1HG2 THR 83 13.552 -3.521 9.825 654 H MET 84 H MET 84 12.211 1.323 8.895 655 HA MET 84 HA MET 84 9.910 0.593 10.160 656 1HB MET 84 2HB MET 84 11.171 2.653 11.669 657 2HB MET 84 1HB MET 84 9.630 3.297 11.189 658 1HG MET 84 2HG MET 84 8.971 0.704 11.741 659 2HG MET 84 1HG MET 84 10.111 0.959 12.880 660 1HE MET 84 2HE MET 84 7.619 0.076 13.703 661 2HE MET 84 1HE MET 84 7.789 0.976 15.259 662 3HE MET 84 3HE MET 84 6.311 1.177 14.270 663 H GLU 85 H GLU 85 8.089 1.959 10.738 664 HA GLU 85 HA GLU 85 6.480 1.170 9.175 665 1HB GLU 85 2HB GLU 85 6.625 3.411 10.948 666 2HB GLU 85 1HB GLU 85 5.105 3.426 10.012 667 1HG GLU 85 2HG GLU 85 5.668 0.650 10.787 668 2HG GLU 85 1HG GLU 85 6.215 1.495 12.089 669 H GLY 86 H GLY 86 4.701 2.315 7.921 670 1HA GLY 86 1HA GLY 86 5.823 3.675 5.555 671 2HA GLY 86 2HA GLY 86 4.064 3.150 5.912 672 H ASN 87 H ASN 87 4.034 3.925 8.553 673 HA ASN 87 HA ASN 87 3.901 6.845 8.289 674 1HB ASN 87 2HB ASN 87 2.398 7.338 9.453 675 2HB ASN 87 1HB ASN 87 1.825 5.857 8.539 676 1HD2 ASN 87 1HD2 ASN 87 1.235 3.889 11.317 677 2HD2 ASN 87 2HD2 ASN 87 1.288 4.029 9.607 678 H LYS 88 H LYS 88 6.289 4.949 9.194 679 HA LYS 88 HA LYS 88 7.556 6.932 10.693 680 1HB LYS 88 2HB LYS 88 8.003 4.856 12.485 681 2HB LYS 88 1HB LYS 88 7.245 6.263 12.923 682 1HG LYS 88 2HG LYS 88 5.155 4.588 11.774 683 2HG LYS 88 1HG LYS 88 5.973 3.816 13.193 684 1HD LYS 88 2HD LYS 88 5.411 6.716 13.312 685 2HD LYS 88 1HD LYS 88 4.040 5.622 13.342 686 1HE LYS 88 2HE LYS 88 4.520 5.561 15.647 687 2HE LYS 88 1HE LYS 88 5.769 4.357 15.150 688 1HZ LYS 88 1HZ LYS 88 6.585 7.099 14.962 689 2HZ LYS 88 3HZ LYS 88 6.365 6.484 16.520 690 3HZ LYS 88 2HZ LYS 88 7.429 5.747 15.461 691 H LEU 89 H LEU 89 9.501 6.579 11.417 692 HA LEU 89 HA LEU 89 10.966 4.238 10.209 693 1HB LEU 89 2HB LEU 89 11.326 7.063 10.286 694 2HB LEU 89 1HB LEU 89 12.473 6.445 11.388 695 HG LEU 89 HG LEU 89 12.306 4.836 8.948 696 1HD1 LEU 89 2HD1 LEU 89 11.551 7.308 8.389 697 2HD1 LEU 89 1HD1 LEU 89 13.293 7.467 7.983 698 3HD1 LEU 89 3HD1 LEU 89 12.267 6.223 7.221 699 1HD2 LEU 89 1HD2 LEU 89 14.487 5.859 10.657 700 2HD2 LEU 89 3HD2 LEU 89 14.803 4.940 9.179 701 3HD2 LEU 89 2HD2 LEU 89 14.739 6.715 9.152 702 H VAL 90 H VAL 90 12.980 4.075 11.675 703 HA VAL 90 HA VAL 90 13.030 4.617 14.485 704 HB VAL 90 HB VAL 90 13.022 1.705 13.933 705 1HG1 VAL 90 1HG1 VAL 90 12.781 3.628 16.212 706 2HG1 VAL 90 3HG1 VAL 90 11.995 2.025 16.456 707 3HG1 VAL 90 2HG1 VAL 90 13.695 2.079 16.063 708 1HG2 VAL 90 2HG2 VAL 90 10.620 2.878 13.456 709 2HG2 VAL 90 1HG2 VAL 90 10.627 1.483 14.597 710 3HG2 VAL 90 3HG2 VAL 90 10.600 3.158 15.208 711 H GLY 91 H GLY 91 14.945 5.407 13.975 712 1HA GLY 91 1HA GLY 91 17.018 4.682 12.310 713 2HA GLY 91 2HA GLY 91 17.053 5.597 13.802 714 H LYS 92 H LYS 92 15.812 3.355 15.203 715 HA LYS 92 HA LYS 92 16.431 1.847 16.722 716 1HB LYS 92 2HB LYS 92 17.233 0.399 14.179 717 2HB LYS 92 1HB LYS 92 17.147 -0.362 15.799 718 1HG LYS 92 2HG LYS 92 14.896 1.317 14.901 719 2HG LYS 92 1HG LYS 92 14.912 -0.407 14.484 720 1HD LYS 92 2HD LYS 92 15.733 -0.457 17.130 721 2HD LYS 92 1HD LYS 92 14.505 0.791 17.079 722 1HE LYS 92 2HE LYS 92 13.346 -1.365 17.515 723 2HE LYS 92 1HE LYS 92 12.945 -0.854 15.848 724 1HZ LYS 92 2HZ LYS 92 15.321 -2.413 16.081 725 2HZ LYS 92 1HZ LYS 92 13.933 -3.230 16.519 726 3HZ LYS 92 3HZ LYS 92 14.075 -2.512 14.972 727 H PHE 93 H PHE 93 18.711 -0.111 16.602 728 HA PHE 93 HA PHE 93 21.151 1.412 16.766 729 1HB PHE 93 2HB PHE 93 20.753 1.345 19.468 730 2HB PHE 93 1HB PHE 93 20.315 2.708 18.575 731 HD1 PHE 93 HD1 PHE 93 19.436 -0.778 19.485 732 HD2 PHE 93 HD2 PHE 93 17.683 3.116 19.090 733 HE1 PHE 93 HE1 PHE 93 17.412 -1.697 20.387 734 HE2 PHE 93 HE2 PHE 93 15.571 2.105 20.083 735 HZ PHE 93 HZ PHE 93 15.452 -0.251 20.707 736 H LYS 94 H LYS 94 22.157 0.935 18.789 737 HA LYS 94 HA LYS 94 22.531 -0.050 20.716 738 1HB LYS 94 2HB LYS 94 21.510 -2.529 19.371 739 2HB LYS 94 1HB LYS 94 23.161 -2.788 20.298 740 1HG LYS 94 2HG LYS 94 22.256 -1.402 22.054 741 2HG LYS 94 1HG LYS 94 20.868 -1.049 21.211 742 1HD LYS 94 2HD LYS 94 21.320 -3.977 21.986 743 2HD LYS 94 1HD LYS 94 20.845 -2.783 23.188 744 1HE LYS 94 2HE LYS 94 18.828 -2.146 21.793 745 2HE LYS 94 1HE LYS 94 19.231 -3.544 20.759 746 1HZ LYS 94 1HZ LYS 94 19.223 -4.926 22.701 747 2HZ LYS 94 3HZ LYS 94 18.526 -3.647 23.602 748 3HZ LYS 94 2HZ LYS 94 17.697 -4.296 22.315 749 H ARG 95 H ARG 95 23.699 1.406 19.621 750 HA ARG 95 HA ARG 95 25.599 1.831 18.024 751 1HB ARG 95 2HB ARG 95 25.784 1.320 21.078 752 2HB ARG 95 1HB ARG 95 27.217 1.812 20.084 753 1HG ARG 95 2HG ARG 95 25.579 3.624 21.312 754 2HG ARG 95 1HG ARG 95 26.810 3.876 20.135 755 1HD ARG 95 2HD ARG 95 24.094 3.016 19.052 756 2HD ARG 95 1HD ARG 95 24.181 4.575 19.685 757 HE ARG 95 HE ARG 95 25.218 3.779 17.209 758 1HH1 ARG 95 2HH1 ARG 95 26.436 5.632 19.914 759 2HH1 ARG 95 1HH1 ARG 95 27.596 6.593 19.028 760 1HH2 ARG 95 1HH2 ARG 95 26.780 5.163 15.959 761 2HH2 ARG 95 2HH2 ARG 95 27.731 6.312 16.806 762 H VAL 96 H VAL 96 26.998 -0.021 20.690 763 HA VAL 96 HA VAL 96 27.904 -2.363 20.191 764 HB VAL 96 HB VAL 96 29.011 -0.582 18.053 765 1HG1 VAL 96 2HG1 VAL 96 30.526 -2.687 19.599 766 2HG1 VAL 96 1HG1 VAL 96 30.984 -2.193 17.929 767 3HG1 VAL 96 3HG1 VAL 96 31.036 -1.026 19.264 768 1HG2 VAL 96 1HG2 VAL 96 27.297 -2.765 17.783 769 2HG2 VAL 96 3HG2 VAL 96 28.522 -2.313 16.566 770 3HG2 VAL 96 2HG2 VAL 96 28.906 -3.572 17.723 771 H ASP 97 H ASP 97 28.996 1.031 20.267 772 HA ASP 97 HA ASP 97 31.409 0.468 21.850 773 1HB ASP 97 2HB ASP 97 31.693 2.551 21.567 774 2HB ASP 97 1HB ASP 97 29.986 2.878 21.246 775 H ASN 98 H ASN 98 28.069 0.378 22.417 776 HA ASN 98 HA ASN 98 28.354 -0.962 24.938 777 1HB ASN 98 2HB ASN 98 28.911 0.916 25.830 778 2HB ASN 98 1HB ASN 98 27.772 1.832 24.927 779 1HD2 ASN 98 2HD2 ASN 98 25.274 1.834 27.397 780 2HD2 ASN 98 1HD2 ASN 98 25.958 2.521 25.981 781 H GLY 99 H GLY 99 26.149 0.960 22.920 782 1HA GLY 99 1HA GLY 99 24.348 -0.428 21.761 783 2HA GLY 99 2HA GLY 99 23.980 -1.102 23.273 784 H LYS 100 H LYS 100 24.353 2.276 21.874 785 HA LYS 100 HA LYS 100 22.524 3.455 23.767 786 1HB LYS 100 2HB LYS 100 24.025 4.405 21.566 787 2HB LYS 100 1HB LYS 100 22.350 4.881 21.452 788 1HG LYS 100 2HG LYS 100 23.649 6.501 22.861 789 2HG LYS 100 1HG LYS 100 22.618 5.537 24.005 790 1HD LYS 100 2HD LYS 100 24.529 3.975 24.329 791 2HD LYS 100 1HD LYS 100 25.387 4.649 23.068 792 1HE LYS 100 2HE LYS 100 26.103 5.230 25.553 793 2HE LYS 100 1HE LYS 100 26.174 6.497 24.336 794 1HZ LYS 100 3HZ LYS 100 23.792 6.072 26.022 795 2HZ LYS 100 2HZ LYS 100 25.174 6.946 26.536 796 3HZ LYS 100 1HZ LYS 100 24.314 7.482 25.201 797 H GLU 101 H GLU 101 20.653 4.732 22.393 798 HA GLU 101 HA GLU 101 19.517 2.865 20.449 799 1HB GLU 101 2HB GLU 101 18.112 3.317 23.024 800 2HB GLU 101 1HB GLU 101 17.192 2.883 21.657 801 1HG GLU 101 2HG GLU 101 17.815 0.638 22.204 802 2HG GLU 101 1HG GLU 101 19.284 1.033 21.461 803 H LEU 102 H LEU 102 20.484 4.680 19.521 804 HA LEU 102 HA LEU 102 19.844 7.320 19.237 805 1HB LEU 102 2HB LEU 102 20.212 5.115 17.189 806 2HB LEU 102 1HB LEU 102 20.015 6.808 16.695 807 HG LEU 102 HG LEU 102 22.046 6.598 18.821 808 1HD1 LEU 102 1HD1 LEU 102 22.380 4.336 17.749 809 2HD1 LEU 102 3HD1 LEU 102 22.596 5.125 16.173 810 3HD1 LEU 102 2HD1 LEU 102 23.761 5.458 17.481 811 1HD2 LEU 102 3HD2 LEU 102 21.307 8.201 16.687 812 2HD2 LEU 102 2HD2 LEU 102 22.904 8.334 17.356 813 3HD2 LEU 102 1HD2 LEU 102 22.636 7.269 15.925 814 H ILE 103 H ILE 103 18.409 4.561 17.492 815 HA ILE 103 HA ILE 103 16.337 4.076 16.828 816 HB ILE 103 HB ILE 103 16.054 5.934 19.170 817 1HG1 ILE 103 2HG1 ILE 103 15.978 3.765 19.563 818 2HG1 ILE 103 1HG1 ILE 103 14.269 4.132 19.679 819 1HG2 ILE 103 3HG2 ILE 103 14.600 7.147 17.489 820 2HG2 ILE 103 2HG2 ILE 103 13.521 5.708 17.560 821 3HG2 ILE 103 1HG2 ILE 103 13.886 6.681 19.033 822 1HD1 ILE 103 3HD1 ILE 103 14.739 3.308 16.975 823 2HD1 ILE 103 2HD1 ILE 103 15.276 2.102 18.201 824 3HD1 ILE 103 1HD1 ILE 103 13.625 2.672 18.234 825 H ALA 104 H ALA 104 17.907 6.896 16.066 826 HA ALA 104 HA ALA 104 16.764 8.884 14.944 827 1HB ALA 104 2HB ALA 104 19.004 7.807 14.310 828 2HB ALA 104 1HB ALA 104 18.158 7.084 12.933 829 3HB ALA 104 3HB ALA 104 18.159 8.873 13.112 830 H VAL 105 H VAL 105 14.551 8.330 15.205 831 HA VAL 105 HA VAL 105 13.208 6.628 13.319 832 HB VAL 105 HB VAL 105 11.949 8.895 14.824 833 1HG1 VAL 105 3HG1 VAL 105 10.978 6.911 13.004 834 2HG1 VAL 105 2HG1 VAL 105 10.171 6.576 14.583 835 3HG1 VAL 105 1HG1 VAL 105 10.043 8.136 13.815 836 1HG2 VAL 105 1HG2 VAL 105 13.174 7.035 16.263 837 2HG2 VAL 105 3HG2 VAL 105 11.473 7.396 16.732 838 3HG2 VAL 105 2HG2 VAL 105 11.838 5.969 15.754 839 H ARG 106 H ARG 106 11.273 9.227 13.078 840 HA ARG 106 HA ARG 106 11.919 11.192 11.400 841 1HB ARG 106 2HB ARG 106 12.785 8.860 10.118 842 2HB ARG 106 1HB ARG 106 11.199 9.065 9.390 843 1HG ARG 106 2HG ARG 106 11.507 10.973 8.464 844 2HG ARG 106 1HG ARG 106 12.542 11.619 9.650 845 1HD ARG 106 2HD ARG 106 13.438 9.356 7.776 846 2HD ARG 106 1HD ARG 106 13.760 11.128 7.467 847 HE ARG 106 HE ARG 106 14.649 10.751 9.995 848 1HH1 ARG 106 1HH1 ARG 106 15.163 8.848 7.147 849 2HH1 ARG 106 2HH1 ARG 106 16.718 8.244 7.655 850 1HH2 ARG 106 2HH2 ARG 106 16.636 10.007 10.702 851 2HH2 ARG 106 1HH2 ARG 106 17.635 8.926 9.791 852 H GLU 107 H GLU 107 10.214 8.263 11.928 853 HA GLU 107 HA GLU 107 8.082 7.665 12.010 854 1HB GLU 107 2HB GLU 107 7.248 10.487 12.842 855 2HB GLU 107 1HB GLU 107 6.545 8.899 13.095 856 1HG GLU 107 2HG GLU 107 8.403 8.191 14.614 857 2HG GLU 107 1HG GLU 107 9.165 9.663 14.446 858 H ILE 108 H ILE 108 8.001 11.181 11.305 859 HA ILE 108 HA ILE 108 7.072 12.433 9.810 860 HB ILE 108 HB ILE 108 7.866 10.328 8.497 861 1HG1 ILE 108 2HG1 ILE 108 5.857 12.449 7.844 862 2HG1 ILE 108 1HG1 ILE 108 7.563 12.720 7.995 863 1HG2 ILE 108 3HG2 ILE 108 5.189 9.313 8.650 864 2HG2 ILE 108 2HG2 ILE 108 5.001 10.452 7.348 865 3HG2 ILE 108 1HG2 ILE 108 6.166 9.162 7.156 866 1HD1 ILE 108 3HD1 ILE 108 7.336 10.738 5.884 867 2HD1 ILE 108 2HD1 ILE 108 6.107 11.994 5.489 868 3HD1 ILE 108 1HD1 ILE 108 7.764 12.479 5.701 869 H SER 109 H SER 109 5.240 13.438 9.775 870 HA SER 109 HA SER 109 2.792 12.267 9.543 871 1HB SER 109 2HB SER 109 3.105 11.163 11.753 872 2HB SER 109 1HB SER 109 3.818 12.634 12.387 873 HG SER 109 HG SER 109 1.058 12.351 11.654 874 H GLY 110 H GLY 110 2.000 13.907 8.579 875 1HA GLY 110 1HA GLY 110 1.278 16.008 7.965 876 2HA GLY 110 2HA GLY 110 1.052 16.244 9.730 877 H ASN 111 H ASN 111 3.288 16.661 7.040 878 HA ASN 111 HA ASN 111 5.138 17.997 6.841 879 1HB ASN 111 2HB ASN 111 3.356 19.648 8.493 880 2HB ASN 111 1HB ASN 111 4.973 20.174 8.150 881 1HD2 ASN 111 1HD2 ASN 111 4.417 21.073 4.749 882 2HD2 ASN 111 2HD2 ASN 111 5.516 20.873 6.045 883 H GLU 112 H GLU 112 5.592 15.904 8.440 884 HA GLU 112 HA GLU 112 7.580 16.923 10.457 885 1HB GLU 112 2HB GLU 112 5.444 14.922 10.687 886 2HB GLU 112 1HB GLU 112 6.995 14.318 11.208 887 1HG GLU 112 2HG GLU 112 5.236 15.492 12.868 888 2HG GLU 112 1HG GLU 112 6.857 15.662 13.218 889 H LEU 113 H LEU 113 8.893 14.979 10.939 890 HA LEU 113 HA LEU 113 9.406 12.733 9.421 891 1HB LEU 113 2HB LEU 113 11.017 15.161 8.557 892 2HB LEU 113 1HB LEU 113 11.807 13.564 8.723 893 HG LEU 113 HG LEU 113 9.749 14.303 6.631 894 1HD1 LEU 113 1HD1 LEU 113 12.637 14.079 6.911 895 2HD1 LEU 113 3HD1 LEU 113 12.141 12.741 5.917 896 3HD1 LEU 113 2HD1 LEU 113 11.673 14.431 5.503 897 1HD2 LEU 113 3HD2 LEU 113 9.529 11.762 7.803 898 2HD2 LEU 113 2HD2 LEU 113 9.514 12.035 6.030 899 3HD2 LEU 113 1HD2 LEU 113 10.992 11.541 6.787 900 H ILE 114 H ILE 114 9.032 13.462 11.875 901 HA ILE 114 HA ILE 114 10.957 14.541 13.541 902 HB ILE 114 HB ILE 114 10.043 12.401 15.072 903 1HG1 ILE 114 2HG1 ILE 114 8.961 11.622 12.849 904 2HG1 ILE 114 1HG1 ILE 114 8.062 11.391 14.264 905 1HG2 ILE 114 2HG2 ILE 114 8.697 14.973 14.655 906 2HG2 ILE 114 1HG2 ILE 114 8.372 13.858 16.032 907 3HG2 ILE 114 3HG2 ILE 114 9.987 14.573 15.739 908 1HD1 ILE 114 3HD1 ILE 114 7.531 13.999 12.951 909 2HD1 ILE 114 2HD1 ILE 114 6.818 12.532 12.202 910 3HD1 ILE 114 1HD1 ILE 114 6.398 12.988 13.858 911 H GLN 115 H GLN 115 12.814 13.915 12.756 912 HA GLN 115 HA GLN 115 14.060 11.442 12.233 913 1HB GLN 115 2HB GLN 115 14.743 14.196 13.344 914 2HB GLN 115 1HB GLN 115 16.010 12.930 13.136 915 1HG GLN 115 2HG GLN 115 14.174 13.324 10.790 916 2HG GLN 115 1HG GLN 115 15.142 14.769 11.144 917 1HE2 GLN 115 1HE2 GLN 115 18.312 13.373 10.417 918 2HE2 GLN 115 2HE2 GLN 115 17.339 14.719 10.909 919 H THR 116 H THR 116 12.969 12.813 15.145 920 HA THR 116 HA THR 116 13.557 12.238 17.367 921 HB THR 116 HB THR 116 11.586 10.389 15.961 922 HG1 THR 116 1HG THR 116 11.451 12.687 16.321 923 1HG2 THR 116 3HG2 THR 116 12.622 10.273 18.867 924 2HG2 THR 116 2HG2 THR 116 10.839 10.446 18.731 925 3HG2 THR 116 1HG2 THR 116 11.678 9.101 17.993 926 H TYR 117 H TYR 117 15.813 11.651 16.919 927 HA TYR 117 HA TYR 117 15.989 8.728 17.500 928 1HB TYR 117 2HB TYR 117 18.649 9.954 17.796 929 2HB TYR 117 1HB TYR 117 18.195 8.713 16.859 930 HD1 TYR 117 HD1 TYR 117 16.665 11.632 15.110 931 HD2 TYR 117 HD2 TYR 117 20.383 9.679 16.001 932 HE1 TYR 117 HE1 TYR 117 17.794 12.702 13.181 933 HE2 TYR 117 HE2 TYR 117 21.429 10.749 14.109 934 HH TYR 117 HH TYR 117 19.696 13.031 12.049 935 H THR 118 H THR 118 15.704 8.262 19.391 936 HA THR 118 HA THR 118 16.592 10.051 21.575 937 HB THR 118 HB THR 118 14.733 7.746 22.013 938 HG1 THR 118 1HG THR 118 13.177 9.285 21.499 939 1HG2 THR 118 3HG2 THR 118 16.052 10.087 23.419 940 2HG2 THR 118 2HG2 THR 118 14.308 10.345 23.348 941 3HG2 THR 118 1HG2 THR 118 14.925 8.884 24.148 942 H TYR 119 H TYR 119 18.886 8.978 21.238 943 HA TYR 119 HA TYR 119 19.403 6.192 21.878 944 1HB TYR 119 2HB TYR 119 21.622 6.725 22.113 945 2HB TYR 119 1HB TYR 119 21.004 7.590 20.727 946 HD1 TYR 119 HD2 TYR 119 20.408 10.047 20.971 947 HD2 TYR 119 HD1 TYR 119 22.754 7.964 23.948 948 HE1 TYR 119 HE2 TYR 119 21.146 12.167 21.780 949 HE2 TYR 119 HE1 TYR 119 23.546 10.156 24.814 950 HH TYR 119 HH TYR 119 23.096 12.352 24.811 951 H GLU 120 H GLU 120 18.570 8.933 23.967 952 HA GLU 120 HA GLU 120 18.529 6.958 26.135 953 1HB GLU 120 2HB GLU 120 20.492 6.811 26.683 954 2HB GLU 120 1HB GLU 120 21.015 7.907 25.398 955 1HG GLU 120 2HG GLU 120 21.912 9.178 27.004 956 2HG GLU 120 1HG GLU 120 20.316 9.858 27.034 957 H GLY 121 H GLY 121 16.995 9.368 24.945 958 1HA GLY 121 1HA GLY 121 15.329 10.456 26.309 959 2HA GLY 121 2HA GLY 121 16.403 10.719 27.520 960 H VAL 122 H VAL 122 17.752 11.016 24.353 961 HA VAL 122 HA VAL 122 17.530 13.978 24.432 962 HB VAL 122 HB VAL 122 19.906 12.337 23.596 963 1HG1 VAL 122 2HG1 VAL 122 19.821 14.769 22.728 964 2HG1 VAL 122 1HG1 VAL 122 19.695 15.303 24.393 965 3HG1 VAL 122 3HG1 VAL 122 21.202 14.537 23.830 966 1HG2 VAL 122 2HG2 VAL 122 19.107 13.584 26.302 967 2HG2 VAL 122 1HG2 VAL 122 19.743 11.939 25.970 968 3HG2 VAL 122 3HG2 VAL 122 20.798 13.334 25.949 969 H GLU 123 H GLU 123 15.769 12.351 22.981 970 HA GLU 123 HA GLU 123 16.007 11.666 20.275 971 1HB GLU 123 2HB GLU 123 13.817 12.322 21.870 972 2HB GLU 123 1HB GLU 123 14.119 13.890 21.366 973 1HG GLU 123 2HG GLU 123 14.081 13.152 18.934 974 2HG GLU 123 1HG GLU 123 13.903 11.579 19.372 975 H ALA 124 H ALA 124 16.767 12.538 18.584 976 HA ALA 124 HA ALA 124 16.928 15.506 18.642 977 1HB ALA 124 1HB ALA 124 19.011 13.531 17.605 978 2HB ALA 124 3HB ALA 124 18.908 15.198 16.935 979 3HB ALA 124 2HB ALA 124 19.241 14.937 18.695 980 H LYS 125 H LYS 125 15.704 16.465 17.359 981 HA LYS 125 HA LYS 125 15.256 15.215 14.741 982 1HB LYS 125 2HB LYS 125 12.693 16.149 15.880 983 2HB LYS 125 1HB LYS 125 13.030 14.700 14.978 984 1HG LYS 125 2HG LYS 125 12.597 13.853 17.301 985 2HG LYS 125 1HG LYS 125 14.298 13.992 17.240 986 1HD LYS 125 2HD LYS 125 13.056 14.983 19.212 987 2HD LYS 125 1HD LYS 125 14.262 15.967 18.508 988 1HE LYS 125 2HE LYS 125 12.568 17.410 17.372 989 2HE LYS 125 1HE LYS 125 11.231 16.346 17.887 990 1HZ LYS 125 2HZ LYS 125 12.928 17.282 20.069 991 2HZ LYS 125 1HZ LYS 125 12.245 18.511 19.186 992 3HZ LYS 125 3HZ LYS 125 11.256 17.309 19.890 993 H ARG 126 H ARG 126 12.940 17.156 14.287 994 HA ARG 126 HA ARG 126 12.914 19.663 14.978 995 1HB ARG 126 2HB ARG 126 15.430 19.367 13.507 996 2HB ARG 126 1HB ARG 126 14.327 20.776 13.178 997 1HG ARG 126 2HG ARG 126 14.826 19.990 16.082 998 2HG ARG 126 1HG ARG 126 16.064 21.056 15.194 999 1HD ARG 126 2HD ARG 126 14.779 22.701 15.778 1000 2HD ARG 126 1HD ARG 126 13.743 22.093 14.430 1001 HE ARG 126 HE ARG 126 12.997 20.606 16.664 1002 1HH1 ARG 126 2HH2 ARG 126 13.176 24.093 16.050 1003 2HH1 ARG 126 1HH2 ARG 126 11.911 24.464 17.170 1004 1HH2 ARG 126 2HH1 ARG 126 11.309 21.185 18.170 1005 2HH2 ARG 126 1HH1 ARG 126 10.896 22.857 18.331 1006 H ILE 127 H ILE 127 14.024 17.855 12.198 1007 HA ILE 127 HA ILE 127 12.455 16.808 10.713 1008 HB ILE 127 HB ILE 127 10.877 19.380 10.939 1009 1HG1 ILE 127 2HG1 ILE 127 9.172 17.828 11.526 1010 2HG1 ILE 127 1HG1 ILE 127 10.085 16.451 10.894 1011 1HG2 ILE 127 2HG2 ILE 127 10.962 19.005 8.527 1012 2HG2 ILE 127 1HG2 ILE 127 10.321 17.356 8.870 1013 3HG2 ILE 127 3HG2 ILE 127 9.369 18.773 9.187 1014 1HD1 ILE 127 1HD1 ILE 127 11.678 16.568 12.818 1015 2HD1 ILE 127 3HD1 ILE 127 10.660 17.826 13.613 1016 3HD1 ILE 127 2HD1 ILE 127 10.045 16.229 13.309 1017 H PHE 128 H PHE 128 12.085 16.865 8.705 1018 HA PHE 128 HA PHE 128 14.029 17.312 6.897 1019 1HB PHE 128 2HB PHE 128 12.236 16.737 5.316 1020 2HB PHE 128 1HB PHE 128 11.779 15.906 6.745 1021 HD1 PHE 128 HD2 PHE 128 11.108 19.282 5.202 1022 HD2 PHE 128 HD1 PHE 128 9.551 16.021 7.326 1023 HE1 PHE 128 HE2 PHE 128 8.996 20.350 5.033 1024 HE2 PHE 128 HE1 PHE 128 7.293 17.078 7.187 1025 HZ PHE 128 HZ PHE 128 6.949 19.273 6.042 1026 H LYS 129 H LYS 129 13.991 18.122 5.068 1027 HA LYS 129 HA LYS 129 13.101 20.895 4.794 1028 1HB LYS 129 2HB LYS 129 15.720 20.077 3.581 1029 2HB LYS 129 1HB LYS 129 14.712 21.534 3.287 1030 1HG LYS 129 2HG LYS 129 14.989 22.141 5.697 1031 2HG LYS 129 1HG LYS 129 15.883 20.644 5.915 1032 1HD LYS 129 2HD LYS 129 16.804 22.856 4.070 1033 2HD LYS 129 1HD LYS 129 17.387 22.492 5.685 1034 1HE LYS 129 2HE LYS 129 18.593 20.590 5.064 1035 2HE LYS 129 1HE LYS 129 17.608 20.216 3.703 1036 1HZ LYS 129 1HZ LYS 129 18.557 22.478 2.859 1037 2HZ LYS 129 3HZ LYS 129 19.846 22.051 3.889 1038 3HZ LYS 129 2HZ LYS 129 19.298 21.001 2.653 1039 H LYS 130 H LYS 130 12.633 17.879 3.919 1040 HA LYS 130 HA LYS 130 11.917 16.795 2.051 1041 1HB LYS 130 2HB LYS 130 10.039 16.767 2.668 1042 2HB LYS 130 1HB LYS 130 9.825 18.557 2.917 1043 1HG LYS 130 2HG LYS 130 10.019 17.296 0.218 1044 2HG LYS 130 1HG LYS 130 8.634 16.801 1.072 1045 1HD LYS 130 2HD LYS 130 8.953 19.770 1.142 1046 2HD LYS 130 1HD LYS 130 8.793 19.174 -0.516 1047 1HE LYS 130 2HE LYS 130 6.837 18.444 1.781 1048 2HE LYS 130 1HE LYS 130 6.522 19.741 0.670 1049 1HZ LYS 130 2HZ LYS 130 7.159 17.108 -0.461 1050 2HZ LYS 130 1HZ LYS 130 5.661 17.317 0.282 1051 3HZ LYS 130 3HZ LYS 130 6.108 18.294 -1.018 1052 H GLU 131 H GLU 131 11.789 16.586 0.117 1053 HA GLU 131 HA GLU 131 12.052 18.934 -1.582 1054 1HB GLU 131 2HB GLU 131 14.197 18.087 -0.497 1055 2HB GLU 131 1HB GLU 131 14.209 16.932 -1.362 1056 1HG GLU 131 2HG GLU 131 15.679 19.026 -2.133 1057 2HG GLU 131 1HG GLU 131 14.971 18.111 -3.430 No H/Q in entry = 1057 Start of MODEL 7 1 1H ALA 1 1H ALA 1 3.334 8.308 2.525 2 2H ALA 1 3H ALA 1 2.633 8.143 3.987 3 3H ALA 1 2H ALA 1 2.024 9.245 2.898 4 HA ALA 1 HA ALA 1 3.622 10.805 3.298 5 1HB ALA 1 2HB ALA 1 2.542 9.292 5.511 6 2HB ALA 1 1HB ALA 1 4.259 9.503 5.862 7 3HB ALA 1 3HB ALA 1 3.200 10.942 5.596 8 H PHE 2 H PHE 2 6.087 10.692 4.734 9 HA PHE 2 HA PHE 2 8.331 9.910 4.534 10 1HB PHE 2 2HB PHE 2 6.910 7.404 3.914 11 2HB PHE 2 1HB PHE 2 8.686 7.661 3.593 12 HD1 PHE 2 HD1 PHE 2 10.074 8.507 5.466 13 HD2 PHE 2 HD2 PHE 2 6.243 6.703 6.055 14 HE1 PHE 2 HE1 PHE 2 10.687 7.976 7.871 15 HE2 PHE 2 HE2 PHE 2 6.816 6.188 8.387 16 HZ PHE 2 HZ PHE 2 9.010 6.819 9.251 17 H ASP 3 H ASP 3 6.411 8.607 1.611 18 HA ASP 3 HA ASP 3 8.667 8.399 -0.081 19 1HB ASP 3 2HB ASP 3 7.230 8.601 -1.973 20 2HB ASP 3 1HB ASP 3 6.591 7.439 -0.691 21 H GLY 4 H GLY 4 10.013 9.680 -1.145 22 1HA GLY 4 1HA GLY 4 9.964 11.950 -2.501 23 2HA GLY 4 2HA GLY 4 9.272 12.561 -1.086 24 H THR 5 H THR 5 10.779 14.017 -1.220 25 HA THR 5 HA THR 5 13.557 13.774 -0.141 26 HB THR 5 HB THR 5 13.668 15.933 -0.535 27 HG1 THR 5 1HG THR 5 11.029 15.854 -1.642 28 1HG2 THR 5 1HG2 THR 5 13.373 13.922 -2.619 29 2HG2 THR 5 3HG2 THR 5 12.205 15.134 -3.122 30 3HG2 THR 5 2HG2 THR 5 13.941 15.585 -2.958 31 H TRP 6 H TRP 6 14.106 14.977 1.400 32 HA TRP 6 HA TRP 6 12.383 15.881 3.589 33 1HB TRP 6 2HB TRP 6 13.545 13.047 3.104 34 2HB TRP 6 1HB TRP 6 13.574 13.761 4.689 35 HD1 TRP 6 HD1 TRP 6 11.801 11.184 3.380 36 HE1 TRP 6 HE1 TRP 6 9.281 11.133 3.490 37 HE3 TRP 6 HE3 TRP 6 10.731 16.197 4.488 38 HZ2 TRP 6 HZ2 TRP 6 7.148 12.789 3.896 39 HZ3 TRP 6 HZ3 TRP 6 8.416 16.750 4.693 40 HH2 TRP 6 HH2 TRP 6 6.631 15.135 4.393 41 H LYS 7 H LYS 7 13.935 16.386 5.376 42 HA LYS 7 HA LYS 7 16.787 15.981 4.614 43 1HB LYS 7 2HB LYS 7 16.018 18.792 5.087 44 2HB LYS 7 1HB LYS 7 17.389 18.109 4.358 45 1HG LYS 7 2HG LYS 7 16.083 17.136 2.559 46 2HG LYS 7 1HG LYS 7 14.601 17.608 2.997 47 1HD LYS 7 2HD LYS 7 15.039 19.204 1.342 48 2HD LYS 7 1HD LYS 7 15.948 20.130 2.439 49 1HE LYS 7 2HE LYS 7 18.088 19.058 1.893 50 2HE LYS 7 1HE LYS 7 17.328 17.940 0.818 51 1HZ LYS 7 1HZ LYS 7 16.490 20.293 -0.181 52 2HZ LYS 7 3HZ LYS 7 17.944 20.762 0.486 53 3HZ LYS 7 2HZ LYS 7 17.889 19.519 -0.665 54 H VAL 8 H VAL 8 17.243 18.336 6.467 55 HA VAL 8 HA VAL 8 15.911 17.548 8.942 56 HB VAL 8 HB VAL 8 18.751 16.972 8.621 57 1HG1 VAL 8 1HG1 VAL 8 17.391 18.262 10.910 58 2HG1 VAL 8 3HG1 VAL 8 17.945 16.682 11.377 59 3HG1 VAL 8 2HG1 VAL 8 19.102 17.940 10.803 60 1HG2 VAL 8 1HG2 VAL 8 16.343 15.353 9.393 61 2HG2 VAL 8 3HG2 VAL 8 17.747 15.007 8.336 62 3HG2 VAL 8 2HG2 VAL 8 17.919 14.987 10.111 63 H ASP 9 H ASP 9 15.339 19.583 7.721 64 HA ASP 9 HA ASP 9 16.424 21.976 7.196 65 1HB ASP 9 2HB ASP 9 14.022 20.932 7.740 66 2HB ASP 9 1HB ASP 9 14.243 21.758 9.202 67 H ARG 10 H ARG 10 15.504 20.747 10.368 68 HA ARG 10 HA ARG 10 17.200 22.960 11.551 69 1HB ARG 10 2HB ARG 10 15.248 22.565 13.377 70 2HB ARG 10 1HB ARG 10 15.406 23.878 12.246 71 1HG ARG 10 2HG ARG 10 13.918 21.450 11.205 72 2HG ARG 10 1HG ARG 10 13.161 22.370 12.461 73 1HD ARG 10 2HD ARG 10 14.117 23.788 9.901 74 2HD ARG 10 1HD ARG 10 12.460 23.133 10.215 75 HE ARG 10 HE ARG 10 13.687 25.414 11.502 76 1HH1 ARG 10 2HH1 ARG 10 11.032 23.136 11.561 77 2HH1 ARG 10 1HH1 ARG 10 9.997 24.128 12.543 78 1HH2 ARG 10 1HH2 ARG 10 12.301 26.733 12.817 79 2HH2 ARG 10 2HH2 ARG 10 10.726 26.147 13.266 80 H ASN 11 H ASN 11 17.584 22.503 14.002 81 HA ASN 11 HA ASN 11 17.885 19.531 14.348 82 1HB ASN 11 2HB ASN 11 20.332 20.066 14.978 83 2HB ASN 11 1HB ASN 11 19.867 19.826 13.317 84 1HD2 ASN 11 1HD2 ASN 11 21.359 23.447 14.557 85 2HD2 ASN 11 2HD2 ASN 11 20.995 22.131 15.620 86 H GLU 12 H GLU 12 16.749 19.357 16.239 87 HA GLU 12 HA GLU 12 17.897 21.088 18.491 88 1HB GLU 12 2HB GLU 12 16.002 21.778 19.100 89 2HB GLU 12 1HB GLU 12 15.087 20.833 17.952 90 1HG GLU 12 2HG GLU 12 14.119 19.968 19.810 91 2HG GLU 12 1HG GLU 12 15.394 18.828 19.576 92 H ASN 13 H ASN 13 18.699 19.954 20.282 93 HA ASN 13 HA ASN 13 19.468 18.167 21.499 94 1HB ASN 13 2HB ASN 13 17.302 16.574 20.136 95 2HB ASN 13 1HB ASN 13 18.156 16.055 21.558 96 1HD2 ASN 13 1HD2 ASN 13 14.793 17.863 22.264 97 2HD2 ASN 13 2HD2 ASN 13 15.174 16.909 20.883 98 H TYR 14 H TYR 14 20.037 18.652 18.434 99 HA TYR 14 HA TYR 14 20.871 15.948 17.585 100 1HB TYR 14 2HB TYR 14 19.466 17.464 16.415 101 2HB TYR 14 1HB TYR 14 20.826 18.458 16.001 102 HD1 TYR 14 HD1 TYR 14 22.976 16.839 15.247 103 HD2 TYR 14 HD2 TYR 14 18.785 16.092 14.795 104 HE1 TYR 14 HE1 TYR 14 23.473 15.281 13.286 105 HE2 TYR 14 HE2 TYR 14 19.224 14.580 12.890 106 HH TYR 14 HH TYR 14 21.132 13.170 12.114 107 H GLU 15 H GLU 15 22.684 19.042 18.430 108 HA GLU 15 HA GLU 15 25.111 17.821 17.375 109 1HB GLU 15 2HB GLU 15 25.510 19.931 19.329 110 2HB GLU 15 1HB GLU 15 26.166 19.726 17.686 111 1HG GLU 15 2HG GLU 15 24.800 21.519 17.253 112 2HG GLU 15 1HG GLU 15 23.561 20.243 17.082 113 H LYS 16 H LYS 16 23.960 18.459 20.706 114 HA LYS 16 HA LYS 16 26.238 17.142 22.030 115 1HB LYS 16 2HB LYS 16 24.232 18.861 22.830 116 2HB LYS 16 1HB LYS 16 23.932 17.312 23.643 117 1HG LYS 16 2HG LYS 16 26.354 17.313 24.371 118 2HG LYS 16 1HG LYS 16 26.600 18.829 23.424 119 1HD LYS 16 2HD LYS 16 24.493 19.558 24.951 120 2HD LYS 16 1HD LYS 16 25.181 18.420 26.031 121 1HE LYS 16 2HE LYS 16 26.095 20.473 26.732 122 2HE LYS 16 1HE LYS 16 27.402 19.816 25.711 123 1HZ LYS 16 2HZ LYS 16 25.974 21.240 23.917 124 2HZ LYS 16 1HZ LYS 16 25.791 22.163 25.309 125 3HZ LYS 16 3HZ LYS 16 27.337 21.746 24.770 126 H PHE 17 H PHE 17 23.187 15.910 20.582 127 HA PHE 17 HA PHE 17 22.933 13.553 22.160 128 1HB PHE 17 2HB PHE 17 21.087 14.138 21.038 129 2HB PHE 17 1HB PHE 17 21.941 14.579 19.561 130 HD1 PHE 17 HD2 PHE 17 20.828 11.708 21.715 131 HD2 PHE 17 HD1 PHE 17 22.164 12.915 17.789 132 HE1 PHE 17 HE2 PHE 17 20.265 9.496 20.801 133 HE2 PHE 17 HE1 PHE 17 21.591 10.674 16.886 134 HZ PHE 17 HZ PHE 17 20.633 8.984 18.450 135 H MET 18 H MET 18 24.872 14.510 19.452 136 HA MET 18 HA MET 18 25.772 11.883 18.482 137 1HB MET 18 2HB MET 18 26.254 14.793 17.977 138 2HB MET 18 1HB MET 18 27.553 13.549 17.543 139 1HG MET 18 2HG MET 18 25.775 12.320 16.241 140 2HG MET 18 1HG MET 18 24.601 13.544 16.690 141 1HE MET 18 1HE MET 18 24.750 12.543 14.135 142 2HE MET 18 3HE MET 18 25.337 13.653 12.840 143 3HE MET 18 2HE MET 18 26.467 12.473 13.612 144 H GLU 19 H GLU 19 27.028 14.682 20.156 145 HA GLU 19 HA GLU 19 29.620 14.075 20.701 146 1HB GLU 19 2HB GLU 19 29.119 16.015 21.614 147 2HB GLU 19 1HB GLU 19 27.420 15.578 22.014 148 1HG GLU 19 2HG GLU 19 28.365 14.476 24.139 149 2HG GLU 19 1HG GLU 19 29.977 14.798 23.552 150 H LYS 20 H LYS 20 26.754 13.195 22.649 151 HA LYS 20 HA LYS 20 28.290 12.259 24.794 152 1HB LYS 20 2HB LYS 20 25.382 11.807 24.135 153 2HB LYS 20 1HB LYS 20 26.214 11.515 25.698 154 1HG LYS 20 2HG LYS 20 26.685 13.645 26.148 155 2HG LYS 20 1HG LYS 20 26.550 14.201 24.395 156 1HD LYS 20 2HD LYS 20 24.682 15.070 25.344 157 2HD LYS 20 1HD LYS 20 24.065 13.658 24.581 158 1HE LYS 20 2HE LYS 20 24.396 14.391 27.483 159 2HE LYS 20 1HE LYS 20 23.049 13.542 26.641 160 1HZ LYS 20 3HZ LYS 20 25.679 12.362 27.318 161 2HZ LYS 20 2HZ LYS 20 24.235 12.112 28.153 162 3HZ LYS 20 1HZ LYS 20 24.367 11.563 26.558 163 H MET 21 H MET 21 27.403 10.565 21.808 164 HA MET 21 HA MET 21 27.645 7.847 22.935 165 1HB MET 21 2HB MET 21 28.065 8.164 20.099 166 2HB MET 21 1HB MET 21 27.188 6.908 20.989 167 1HG MET 21 2HG MET 21 25.630 9.272 21.412 168 2HG MET 21 1HG MET 21 26.200 9.324 19.709 169 1HE MET 21 1HE MET 21 23.689 9.441 21.130 170 2HE MET 21 3HE MET 21 23.259 9.342 19.386 171 3HE MET 21 2HE MET 21 22.480 8.257 20.599 172 H GLY 22 H GLY 22 29.763 10.395 22.324 173 1HA GLY 22 1HA GLY 22 32.107 10.080 22.834 174 2HA GLY 22 2HA GLY 22 32.140 8.585 21.930 175 H ILE 23 H ILE 23 30.307 11.204 20.573 176 HA ILE 23 HA ILE 23 31.919 11.385 18.154 177 HB ILE 23 HB ILE 23 29.553 12.929 19.164 178 1HG1 ILE 23 2HG1 ILE 23 28.358 11.739 17.679 179 2HG1 ILE 23 1HG1 ILE 23 29.744 11.469 16.581 180 1HG2 ILE 23 3HG2 ILE 23 31.481 14.086 17.429 181 2HG2 ILE 23 2HG2 ILE 23 30.217 13.399 16.366 182 3HG2 ILE 23 1HG2 ILE 23 29.789 14.569 17.590 183 1HD1 ILE 23 3HD1 ILE 23 30.720 9.806 18.201 184 2HD1 ILE 23 2HD1 ILE 23 29.337 10.041 19.259 185 3HD1 ILE 23 1HD1 ILE 23 29.086 9.331 17.653 186 H ASN 24 H ASN 24 33.976 11.940 18.450 187 HA ASN 24 HA ASN 24 35.210 13.501 20.278 188 1HB ASN 24 2HB ASN 24 36.056 12.765 17.694 189 2HB ASN 24 1HB ASN 24 36.825 14.205 18.393 190 1HD2 ASN 24 1HD2 ASN 24 37.029 11.013 21.005 191 2HD2 ASN 24 2HD2 ASN 24 35.490 11.502 20.297 192 H VAL 25 H VAL 25 36.094 15.597 20.260 193 HA VAL 25 HA VAL 25 34.086 17.578 19.786 194 HB VAL 25 HB VAL 25 35.026 19.198 20.628 195 1HG1 VAL 25 2HG1 VAL 25 34.956 16.483 21.907 196 2HG1 VAL 25 1HG1 VAL 25 35.747 17.776 22.878 197 3HG1 VAL 25 3HG1 VAL 25 34.082 17.956 22.298 198 1HG2 VAL 25 1HG2 VAL 25 37.561 17.703 20.116 199 2HG2 VAL 25 3HG2 VAL 25 37.407 19.408 20.505 200 3HG2 VAL 25 2HG2 VAL 25 37.448 18.215 21.836 201 H VAL 26 H VAL 26 36.658 16.621 17.499 202 HA VAL 26 HA VAL 26 37.063 19.036 16.130 203 HB VAL 26 HB VAL 26 37.587 16.256 15.738 204 1HG1 VAL 26 1HG1 VAL 26 35.998 16.581 13.729 205 2HG1 VAL 26 3HG1 VAL 26 37.059 17.890 13.199 206 3HG1 VAL 26 2HG1 VAL 26 37.673 16.229 13.302 207 1HG2 VAL 26 1HG2 VAL 26 38.679 19.031 15.065 208 2HG2 VAL 26 3HG2 VAL 26 39.519 17.740 15.901 209 3HG2 VAL 26 2HG2 VAL 26 39.285 17.662 14.132 210 H LYS 27 H LYS 27 34.443 16.825 16.240 211 HA LYS 27 HA LYS 27 33.022 17.826 13.912 212 1HB LYS 27 2HB LYS 27 31.647 16.163 15.897 213 2HB LYS 27 1HB LYS 27 31.597 16.197 14.137 214 1HG LYS 27 2HG LYS 27 34.250 15.245 15.195 215 2HG LYS 27 1HG LYS 27 33.000 14.235 15.653 216 1HD LYS 27 2HD LYS 27 32.561 13.493 13.527 217 2HD LYS 27 1HD LYS 27 32.891 15.020 12.749 218 1HE LYS 27 2HE LYS 27 35.477 14.524 13.429 219 2HE LYS 27 1HE LYS 27 34.909 12.909 13.611 220 1HZ LYS 27 3HZ LYS 27 34.547 14.388 11.105 221 2HZ LYS 27 2HZ LYS 27 35.902 13.454 11.446 222 3HZ LYS 27 1HZ LYS 27 34.413 12.704 11.340 223 H ARG 28 H ARG 28 33.283 18.483 17.310 224 HA ARG 28 HA ARG 28 30.860 19.615 17.983 225 1HB ARG 28 2HB ARG 28 33.079 19.237 19.360 226 2HB ARG 28 1HB ARG 28 33.147 21.018 19.129 227 1HG ARG 28 2HG ARG 28 30.496 19.881 19.860 228 2HG ARG 28 1HG ARG 28 31.715 19.705 21.090 229 1HD ARG 28 2HD ARG 28 30.373 21.792 21.278 230 2HD ARG 28 1HD ARG 28 32.039 21.929 21.460 231 HE ARG 28 HE ARG 28 32.131 22.784 19.037 232 1HH1 ARG 28 1HH1 ARG 28 29.328 23.434 21.212 233 2HH1 ARG 28 2HH1 ARG 28 29.009 24.927 20.337 234 1HH2 ARG 28 1HH2 ARG 28 31.499 24.841 18.019 235 2HH2 ARG 28 2HH2 ARG 28 30.123 25.613 18.728 236 H LYS 29 H LYS 29 33.471 20.921 16.090 237 HA LYS 29 HA LYS 29 32.558 23.744 16.178 238 1HB LYS 29 2HB LYS 29 34.103 24.129 14.376 239 2HB LYS 29 1HB LYS 29 34.773 23.738 15.993 240 1HG LYS 29 2HG LYS 29 34.284 21.368 14.300 241 2HG LYS 29 1HG LYS 29 35.317 22.466 13.428 242 1HD LYS 29 2HD LYS 29 36.510 22.553 15.978 243 2HD LYS 29 1HD LYS 29 36.032 20.860 15.801 244 1HE LYS 29 2HE LYS 29 37.757 22.461 13.872 245 2HE LYS 29 1HE LYS 29 38.259 21.103 14.898 246 1HZ LYS 29 2HZ LYS 29 36.692 19.757 13.655 247 2HZ LYS 29 1HZ LYS 29 36.365 21.050 12.612 248 3HZ LYS 29 3HZ LYS 29 37.903 20.380 12.665 249 H LEU 30 H LEU 30 31.980 20.860 14.288 250 HA LEU 30 HA LEU 30 31.254 22.152 11.801 251 1HB LEU 30 2HB LEU 30 31.227 19.502 12.648 252 2HB LEU 30 1HB LEU 30 29.516 19.869 12.577 253 HG LEU 30 HG LEU 30 31.481 19.551 10.380 254 1HD1 LEU 30 1HD1 LEU 30 28.579 18.940 11.009 255 2HD1 LEU 30 3HD1 LEU 30 29.080 19.049 9.319 256 3HD1 LEU 30 2HD1 LEU 30 29.864 17.865 10.409 257 1HD2 LEU 30 2HD2 LEU 30 29.767 21.981 10.499 258 2HD2 LEU 30 1HD2 LEU 30 31.120 21.654 9.397 259 3HD2 LEU 30 3HD2 LEU 30 29.520 21.018 9.036 260 H GLY 31 H GLY 31 29.214 20.770 14.300 261 1HA GLY 31 1HA GLY 31 27.584 22.062 15.544 262 2HA GLY 31 2HA GLY 31 27.339 23.117 14.187 263 H ALA 32 H ALA 32 25.031 22.613 14.053 264 HA ALA 32 HA ALA 32 24.463 19.830 13.033 265 1HB ALA 32 1HB ALA 32 22.891 21.364 15.078 266 2HB ALA 32 3HB ALA 32 22.272 19.957 14.146 267 3HB ALA 32 2HB ALA 32 23.718 19.795 15.207 268 H HIS 33 H HIS 33 24.460 23.091 12.048 269 HA HIS 33 HA HIS 33 21.909 23.356 10.796 270 1HB HIS 33 2HB HIS 33 24.334 24.856 10.867 271 2HB HIS 33 1HB HIS 33 24.202 24.273 9.162 272 HD1 HIS 33 HD1 HIS 33 22.647 25.908 7.696 273 HD2 HIS 33 HD2 HIS 33 21.987 26.026 11.900 274 HE1 HIS 33 HE1 HIS 33 20.942 27.652 8.100 275 HE2 HIS 33 HE2 HIS 33 20.511 27.744 10.617 276 H ASP 34 H ASP 34 24.815 21.618 10.252 277 HA ASP 34 HA ASP 34 24.754 21.005 7.524 278 1HB ASP 34 2HB ASP 34 25.894 19.078 9.337 279 2HB ASP 34 1HB ASP 34 26.458 19.636 7.780 280 H ASN 35 H ASN 35 24.978 18.442 7.107 281 HA ASN 35 HA ASN 35 23.929 16.388 6.693 282 1HB ASN 35 2HB ASN 35 23.378 16.884 9.291 283 2HB ASN 35 1HB ASN 35 21.764 17.297 8.558 284 1HD2 ASN 35 2HD2 ASN 35 21.109 13.752 7.738 285 2HD2 ASN 35 1HD2 ASN 35 20.769 15.366 7.275 286 H LEU 36 H LEU 36 21.794 15.707 5.479 287 HA LEU 36 HA LEU 36 19.885 17.894 5.463 288 1HB LEU 36 2HB LEU 36 19.999 18.591 3.198 289 2HB LEU 36 1HB LEU 36 21.330 19.140 4.166 290 HG LEU 36 HG LEU 36 21.692 16.550 2.721 291 1HD1 LEU 36 1HD1 LEU 36 21.136 19.133 1.224 292 2HD1 LEU 36 3HD1 LEU 36 22.496 18.130 0.636 293 3HD1 LEU 36 2HD1 LEU 36 20.886 17.445 0.735 294 1HD2 LEU 36 2HD2 LEU 36 23.210 19.172 3.346 295 2HD2 LEU 36 1HD2 LEU 36 23.449 17.674 4.199 296 3HD2 LEU 36 3HD2 LEU 36 24.009 17.802 2.490 297 H LYS 37 H LYS 37 19.812 16.787 2.237 298 HA LYS 37 HA LYS 37 17.325 15.714 2.818 299 1HB LYS 37 2HB LYS 37 18.503 16.531 0.459 300 2HB LYS 37 1HB LYS 37 18.466 14.780 0.225 301 1HG LYS 37 2HG LYS 37 16.114 14.772 0.867 302 2HG LYS 37 1HG LYS 37 16.088 16.570 0.669 303 1HD LYS 37 2HD LYS 37 16.710 14.295 -1.278 304 2HD LYS 37 1HD LYS 37 15.500 15.526 -1.521 305 1HE LYS 37 2HE LYS 37 17.563 17.202 -1.795 306 2HE LYS 37 1HE LYS 37 18.580 15.787 -1.585 307 1HZ LYS 37 1HZ LYS 37 16.721 15.214 -3.585 308 2HZ LYS 37 3HZ LYS 37 17.455 16.687 -3.919 309 3HZ LYS 37 2HZ LYS 37 18.401 15.333 -3.680 310 H LEU 38 H LEU 38 17.607 14.290 4.424 311 HA LEU 38 HA LEU 38 18.839 11.784 4.511 312 1HB LEU 38 2HB LEU 38 16.971 12.867 6.162 313 2HB LEU 38 1HB LEU 38 15.920 12.575 4.894 314 HG LEU 38 HG LEU 38 15.437 10.864 6.433 315 1HD1 LEU 38 2HD1 LEU 38 17.819 9.544 4.941 316 2HD1 LEU 38 1HD1 LEU 38 16.523 8.676 5.814 317 3HD1 LEU 38 3HD1 LEU 38 16.149 9.531 4.323 318 1HD2 LEU 38 3HD2 LEU 38 17.387 11.675 7.823 319 2HD2 LEU 38 2HD2 LEU 38 17.063 9.924 7.935 320 3HD2 LEU 38 1HD2 LEU 38 18.442 10.513 6.941 321 H THR 39 H THR 39 16.032 13.179 3.061 322 HA THR 39 HA THR 39 14.571 12.796 1.544 323 HB THR 39 HB THR 39 16.328 10.876 0.034 324 HG1 THR 39 1HG THR 39 17.465 12.630 1.031 325 1HG2 THR 39 3HG2 THR 39 14.051 11.972 -0.840 326 2HG2 THR 39 2HG2 THR 39 15.045 13.396 -1.260 327 3HG2 THR 39 1HG2 THR 39 15.424 11.863 -1.985 328 H ILE 40 H ILE 40 12.881 11.074 1.093 329 HA ILE 40 HA ILE 40 13.735 8.243 1.755 330 HB ILE 40 HB ILE 40 11.257 9.409 2.893 331 1HG1 ILE 40 2HG1 ILE 40 13.722 8.507 4.449 332 2HG1 ILE 40 1HG1 ILE 40 13.624 10.150 3.881 333 1HG2 ILE 40 3HG2 ILE 40 12.607 6.667 3.057 334 2HG2 ILE 40 2HG2 ILE 40 11.350 7.165 4.184 335 3HG2 ILE 40 1HG2 ILE 40 10.975 7.048 2.477 336 1HD1 ILE 40 3HD1 ILE 40 11.176 10.003 5.074 337 2HD1 ILE 40 2HD1 ILE 40 11.953 8.664 5.948 338 3HD1 ILE 40 1HD1 ILE 40 12.579 10.325 6.104 339 H THR 41 H THR 41 13.334 6.954 0.198 340 HA THR 41 HA THR 41 10.732 7.158 -1.336 341 HB THR 41 HB THR 41 13.196 5.831 -2.461 342 HG1 THR 41 1HG THR 41 13.806 7.726 -2.635 343 1HG2 THR 41 1HG2 THR 41 10.348 6.491 -3.342 344 2HG2 THR 41 3HG2 THR 41 11.607 6.553 -4.561 345 3HG2 THR 41 2HG2 THR 41 11.273 5.049 -3.683 346 H GLN 42 H GLN 42 9.421 5.627 -0.583 347 HA GLN 42 HA GLN 42 10.417 3.321 0.907 348 1HB GLN 42 2HB GLN 42 8.455 4.795 1.393 349 2HB GLN 42 1HB GLN 42 7.703 4.339 -0.103 350 1HG GLN 42 2HG GLN 42 7.619 1.919 0.675 351 2HG GLN 42 1HG GLN 42 8.395 2.354 2.184 352 1HE2 GLN 42 1HE2 GLN 42 4.490 3.494 1.204 353 2HE2 GLN 42 2HE2 GLN 42 5.770 3.221 0.034 354 H GLU 43 H GLU 43 10.500 1.335 0.230 355 HA GLU 43 HA GLU 43 9.509 0.590 -2.501 356 1HB GLU 43 2HB GLU 43 12.151 0.513 -1.425 357 2HB GLU 43 1HB GLU 43 11.543 -1.142 -1.289 358 1HG GLU 43 2HG GLU 43 11.139 0.220 -3.939 359 2HG GLU 43 1HG GLU 43 12.872 -0.184 -3.445 360 H GLY 44 H GLY 44 9.050 -1.849 -2.395 361 1HA GLY 44 1HA GLY 44 6.798 -2.528 -1.047 362 2HA GLY 44 2HA GLY 44 8.074 -3.736 -1.433 363 H ASN 45 H ASN 45 10.078 -2.723 0.125 364 HA ASN 45 HA ASN 45 9.272 -2.871 2.971 365 1HB ASN 45 2HB ASN 45 11.578 -4.600 2.102 366 2HB ASN 45 1HB ASN 45 10.625 -4.578 3.574 367 1HD2 ASN 45 1HD2 ASN 45 9.805 -7.266 0.745 368 2HD2 ASN 45 2HD2 ASN 45 11.317 -6.406 1.003 369 H LYS 46 H LYS 46 12.421 -3.118 1.164 370 HA LYS 46 HA LYS 46 13.877 -1.311 2.667 371 1HB LYS 46 2HB LYS 46 15.331 -1.961 1.218 372 2HB LYS 46 1HB LYS 46 14.021 -2.522 0.132 373 1HG LYS 46 2HG LYS 46 14.079 0.103 -0.594 374 2HG LYS 46 1HG LYS 46 15.714 -0.042 -0.020 375 1HD LYS 46 2HD LYS 46 14.305 -1.888 -2.081 376 2HD LYS 46 1HD LYS 46 15.364 -0.577 -2.450 377 1HE LYS 46 2HE LYS 46 17.160 -1.796 -1.018 378 2HE LYS 46 1HE LYS 46 16.090 -3.151 -0.929 379 1HZ LYS 46 2HZ LYS 46 16.167 -3.141 -3.497 380 2HZ LYS 46 1HZ LYS 46 17.546 -2.169 -3.273 381 3HZ LYS 46 3HZ LYS 46 17.450 -3.712 -2.587 382 H PHE 47 H PHE 47 14.780 0.687 1.947 383 HA PHE 47 HA PHE 47 12.920 2.286 0.282 384 1HB PHE 47 2HB PHE 47 13.837 3.947 2.433 385 2HB PHE 47 1HB PHE 47 12.135 3.679 1.934 386 HD1 PHE 47 HD2 PHE 47 10.978 1.533 3.275 387 HD2 PHE 47 HD1 PHE 47 14.741 3.325 4.316 388 HE1 PHE 47 HE2 PHE 47 10.880 0.520 5.548 389 HE2 PHE 47 HE1 PHE 47 14.666 2.346 6.541 390 HZ PHE 47 HZ PHE 47 12.648 0.886 7.157 391 H THR 48 H THR 48 13.925 3.311 -1.086 392 HA THR 48 HA THR 48 16.764 3.727 -1.181 393 HB THR 48 HB THR 48 14.962 5.351 -2.979 394 HG1 THR 48 1HG THR 48 14.735 3.435 -4.295 395 1HG2 THR 48 2HG2 THR 48 17.551 5.179 -3.197 396 2HG2 THR 48 1HG2 THR 48 17.314 3.496 -3.738 397 3HG2 THR 48 3HG2 THR 48 16.647 4.829 -4.664 398 H VAL 49 H VAL 49 17.231 4.771 0.589 399 HA VAL 49 HA VAL 49 15.950 7.440 1.116 400 HB VAL 49 HB VAL 49 17.239 5.319 2.706 401 1HG1 VAL 49 2HG1 VAL 49 17.985 8.198 3.035 402 2HG1 VAL 49 1HG1 VAL 49 17.476 7.346 4.520 403 3HG1 VAL 49 3HG1 VAL 49 18.838 6.751 3.562 404 1HG2 VAL 49 3HG2 VAL 49 14.671 6.374 2.608 405 2HG2 VAL 49 2HG2 VAL 49 15.325 5.585 4.052 406 3HG2 VAL 49 1HG2 VAL 49 15.337 7.361 3.891 407 H LYS 50 H LYS 50 17.295 9.149 0.737 408 HA LYS 50 HA LYS 50 19.893 8.767 -0.638 409 1HB LYS 50 2HB LYS 50 17.931 10.508 -0.925 410 2HB LYS 50 1HB LYS 50 18.648 11.324 0.444 411 1HG LYS 50 2HG LYS 50 20.623 11.930 -0.843 412 2HG LYS 50 1HG LYS 50 20.405 10.556 -1.941 413 1HD LYS 50 2HD LYS 50 18.137 11.840 -2.523 414 2HD LYS 50 1HD LYS 50 19.234 13.224 -2.003 415 1HE LYS 50 2HE LYS 50 20.992 12.358 -3.462 416 2HE LYS 50 1HE LYS 50 19.935 10.986 -3.990 417 1HZ LYS 50 2HZ LYS 50 18.404 12.753 -4.806 418 2HZ LYS 50 1HZ LYS 50 19.605 13.885 -4.557 419 3HZ LYS 50 3HZ LYS 50 19.898 12.621 -5.608 420 H GLU 51 H GLU 51 20.250 11.542 0.983 421 HA GLU 51 HA GLU 51 20.467 11.957 3.158 422 1HB GLU 51 2HB GLU 51 20.884 9.449 3.927 423 2HB GLU 51 1HB GLU 51 22.405 9.478 3.064 424 1HG GLU 51 2HG GLU 51 23.446 10.769 4.655 425 2HG GLU 51 1HG GLU 51 21.918 11.564 5.142 426 H SER 52 H SER 52 21.263 13.199 1.170 427 HA SER 52 HA SER 52 24.260 13.040 0.800 428 1HB SER 52 2HB SER 52 23.159 13.315 -1.271 429 2HB SER 52 1HB SER 52 22.092 14.657 -0.646 430 HG SER 52 HG SER 52 24.888 14.769 -0.722 431 H SER 53 H SER 53 24.026 13.392 3.170 432 HA SER 53 HA SER 53 23.327 15.790 4.397 433 1HB SER 53 2HB SER 53 25.149 15.220 6.001 434 2HB SER 53 1HB SER 53 23.838 14.026 5.847 435 HG SER 53 HG SER 53 26.185 13.934 4.295 436 H ASN 54 H ASN 54 25.367 17.062 5.654 437 HA ASN 54 HA ASN 54 26.216 18.795 3.667 438 1HB ASN 54 2HB ASN 54 26.068 19.422 5.897 439 2HB ASN 54 1HB ASN 54 27.526 18.478 6.381 440 1HD2 ASN 54 1HD2 ASN 54 27.660 22.072 4.262 441 2HD2 ASN 54 2HD2 ASN 54 26.207 21.076 4.329 442 H PHE 55 H PHE 55 27.466 15.619 3.571 443 HA PHE 55 HA PHE 55 29.861 16.702 2.378 444 1HB PHE 55 2HB PHE 55 30.675 14.527 4.182 445 2HB PHE 55 1HB PHE 55 31.386 16.125 3.944 446 HD1 PHE 55 HD1 PHE 55 28.537 14.375 5.644 447 HD2 PHE 55 HD2 PHE 55 31.092 17.784 5.557 448 HE1 PHE 55 HE1 PHE 55 27.591 15.058 7.797 449 HE2 PHE 55 HE2 PHE 55 30.202 18.527 7.682 450 HZ PHE 55 HZ PHE 55 28.418 17.153 8.848 451 H ARG 56 H ARG 56 28.611 13.705 3.848 452 HA ARG 56 HA ARG 56 29.899 12.161 1.714 453 1HB ARG 56 2HB ARG 56 29.589 11.537 4.303 454 2HB ARG 56 1HB ARG 56 28.001 10.999 3.776 455 1HG ARG 56 2HG ARG 56 28.804 9.069 2.854 456 2HG ARG 56 1HG ARG 56 29.982 9.965 1.933 457 1HD ARG 56 2HD ARG 56 31.355 10.220 4.182 458 2HD ARG 56 1HD ARG 56 30.289 8.975 4.765 459 HE ARG 56 HE ARG 56 32.485 8.693 2.839 460 1HH1 ARG 56 1HH2 ARG 56 29.422 7.178 3.945 461 2HH1 ARG 56 2HH2 ARG 56 29.932 5.629 3.327 462 1HH2 ARG 56 2HH1 ARG 56 32.991 6.573 2.080 463 2HH2 ARG 56 1HH1 ARG 56 31.864 5.274 2.319 464 H ASN 57 H ASN 57 28.845 12.867 0.024 465 HA ASN 57 HA ASN 57 25.999 12.896 -0.244 466 1HB ASN 57 2HB ASN 57 26.952 14.264 -1.864 467 2HB ASN 57 1HB ASN 57 28.455 13.266 -1.864 468 1HD2 ASN 57 1HD2 ASN 57 27.398 11.912 -5.002 469 2HD2 ASN 57 2HD2 ASN 57 28.674 12.550 -3.998 470 H ILE 58 H ILE 58 24.924 11.049 0.018 471 HA ILE 58 HA ILE 58 25.724 8.694 -1.515 472 HB ILE 58 HB ILE 58 26.709 8.872 0.989 473 1HG1 ILE 58 2HG1 ILE 58 25.597 6.208 0.326 474 2HG1 ILE 58 1HG1 ILE 58 26.682 6.932 -0.889 475 1HG2 ILE 58 1HG2 ILE 58 24.464 9.230 1.968 476 2HG2 ILE 58 3HG2 ILE 58 24.016 7.560 1.544 477 3HG2 ILE 58 2HG2 ILE 58 25.312 7.850 2.669 478 1HD1 ILE 58 1HD1 ILE 58 28.342 7.354 1.047 479 2HD1 ILE 58 3HD1 ILE 58 27.341 6.275 2.063 480 3HD1 ILE 58 2HD1 ILE 58 28.062 5.649 0.607 481 H ASP 59 H ASP 59 24.214 6.917 -0.823 482 HA ASP 59 HA ASP 59 21.572 7.785 0.088 483 1HB ASP 59 2HB ASP 59 20.401 7.412 -1.889 484 2HB ASP 59 1HB ASP 59 21.922 7.979 -2.561 485 H VAL 60 H VAL 60 20.804 6.182 1.263 486 HA VAL 60 HA VAL 60 22.102 3.488 1.117 487 HB VAL 60 HB VAL 60 20.881 5.091 3.398 488 1HG1 VAL 60 3HG1 VAL 60 21.291 2.288 3.106 489 2HG1 VAL 60 2HG1 VAL 60 22.368 2.878 4.424 490 3HG1 VAL 60 1HG1 VAL 60 20.599 3.147 4.470 491 1HG2 VAL 60 1HG2 VAL 60 23.384 5.604 2.405 492 2HG2 VAL 60 3HG2 VAL 60 23.070 5.656 4.131 493 3HG2 VAL 60 2HG2 VAL 60 23.752 4.184 3.444 494 H VAL 61 H VAL 61 20.818 2.101 0.280 495 HA VAL 61 HA VAL 61 17.884 2.217 0.824 496 HB VAL 61 HB VAL 61 18.974 0.475 -1.268 497 1HG1 VAL 61 1HG1 VAL 61 16.427 1.726 -0.637 498 2HG1 VAL 61 3HG1 VAL 61 16.839 1.911 -2.363 499 3HG1 VAL 61 2HG1 VAL 61 16.837 0.295 -1.600 500 1HG2 VAL 61 1HG2 VAL 61 20.141 2.850 -1.572 501 2HG2 VAL 61 3HG2 VAL 61 19.217 2.336 -3.000 502 3HG2 VAL 61 2HG2 VAL 61 18.525 3.517 -1.892 503 H PHE 62 H PHE 62 17.086 0.544 2.061 504 HA PHE 62 HA PHE 62 18.553 -2.033 1.927 505 1HB PHE 62 2HB PHE 62 19.054 -2.038 4.372 506 2HB PHE 62 1HB PHE 62 20.017 -0.930 3.469 507 HD1 PHE 62 HD2 PHE 62 19.590 1.506 3.700 508 HD2 PHE 62 HD1 PHE 62 17.314 -1.293 5.927 509 HE1 PHE 62 HE2 PHE 62 18.833 3.349 5.142 510 HE2 PHE 62 HE1 PHE 62 16.522 0.509 7.411 511 HZ PHE 62 HZ PHE 62 17.269 2.893 7.049 512 H GLU 63 H GLU 63 17.271 -3.586 2.172 513 HA GLU 63 HA GLU 63 14.454 -3.467 2.664 514 1HB GLU 63 2HB GLU 63 16.360 -5.758 3.000 515 2HB GLU 63 1HB GLU 63 14.560 -5.862 3.373 516 1HG GLU 63 2HG GLU 63 14.032 -5.079 1.040 517 2HG GLU 63 1HG GLU 63 15.719 -4.954 0.698 518 H LEU 64 H LEU 64 13.906 -2.173 4.332 519 HA LEU 64 HA LEU 64 14.894 -1.322 6.485 520 1HB LEU 64 2HB LEU 64 12.871 -1.045 7.533 521 2HB LEU 64 1HB LEU 64 12.698 -0.986 5.774 522 HG LEU 64 HG LEU 64 12.000 -3.663 6.962 523 1HD1 LEU 64 3HD1 LEU 64 11.024 -1.562 8.370 524 2HD1 LEU 64 2HD1 LEU 64 10.018 -1.363 6.949 525 3HD1 LEU 64 1HD1 LEU 64 9.932 -2.898 7.876 526 1HD2 LEU 64 1HD2 LEU 64 11.794 -2.927 4.423 527 2HD2 LEU 64 3HD2 LEU 64 10.239 -3.399 5.199 528 3HD2 LEU 64 2HD2 LEU 64 10.621 -1.706 5.034 529 H GLY 65 H GLY 65 16.024 -2.081 8.260 530 1HA GLY 65 1HA GLY 65 16.163 -3.302 10.291 531 2HA GLY 65 2HA GLY 65 15.160 -4.553 9.729 532 H VAL 66 H VAL 66 18.352 -3.268 8.478 533 HA VAL 66 HA VAL 66 19.311 -6.108 8.683 534 HB VAL 66 HB VAL 66 21.017 -5.389 6.934 535 1HG1 VAL 66 2HG1 VAL 66 18.081 -5.756 6.216 536 2HG1 VAL 66 1HG1 VAL 66 19.468 -5.986 5.094 537 3HG1 VAL 66 3HG1 VAL 66 19.284 -7.058 6.470 538 1HG2 VAL 66 2HG2 VAL 66 20.002 -2.846 7.097 539 2HG2 VAL 66 1HG2 VAL 66 20.548 -3.481 5.541 540 3HG2 VAL 66 3HG2 VAL 66 18.821 -3.494 5.962 541 H ASP 67 H ASP 67 21.196 -6.344 9.914 542 HA ASP 67 HA ASP 67 22.012 -4.350 11.666 543 1HB ASP 67 2HB ASP 67 22.709 -5.927 12.700 544 2HB ASP 67 1HB ASP 67 22.823 -6.982 11.285 545 H PHE 68 H PHE 68 23.232 -2.551 11.451 546 HA PHE 68 HA PHE 68 24.598 -2.071 8.831 547 1HB PHE 68 2HB PHE 68 23.334 -0.317 10.818 548 2HB PHE 68 1HB PHE 68 24.882 0.266 10.157 549 HD1 PHE 68 HD1 PHE 68 24.749 -0.764 7.377 550 HD2 PHE 68 HD2 PHE 68 21.673 1.026 9.773 551 HE1 PHE 68 HE1 PHE 68 23.561 0.007 5.300 552 HE2 PHE 68 HE2 PHE 68 20.517 1.784 7.754 553 HZ PHE 68 HZ PHE 68 21.493 1.259 5.542 554 H ALA 69 H ALA 69 25.175 -1.252 12.183 555 HA ALA 69 HA ALA 69 27.164 -1.125 13.485 556 1HB ALA 69 1HB ALA 69 27.583 -3.421 11.627 557 2HB ALA 69 3HB ALA 69 29.087 -2.681 12.246 558 3HB ALA 69 2HB ALA 69 27.855 -3.327 13.390 559 H TYR 70 H TYR 70 26.457 0.784 11.910 560 HA TYR 70 HA TYR 70 28.974 1.828 10.678 561 1HB TYR 70 2HB TYR 70 27.463 1.722 8.856 562 2HB TYR 70 1HB TYR 70 26.037 1.974 9.880 563 HD1 TYR 70 HD2 TYR 70 29.250 3.986 9.475 564 HD2 TYR 70 HD1 TYR 70 24.992 3.987 9.216 565 HE1 TYR 70 HE2 TYR 70 29.319 6.392 8.950 566 HE2 TYR 70 HE1 TYR 70 25.012 6.397 8.684 567 HH TYR 70 HH TYR 70 26.565 7.993 7.690 568 H SER 71 H SER 71 29.784 3.183 12.222 569 HA SER 71 HA SER 71 28.310 4.089 14.385 570 1HB SER 71 2HB SER 71 29.957 5.386 15.010 571 2HB SER 71 1HB SER 71 30.848 4.393 13.884 572 HG SER 71 HG SER 71 30.165 6.152 12.321 573 H LEU 72 H LEU 72 27.204 5.636 14.959 574 HA LEU 72 HA LEU 72 25.314 6.751 13.285 575 1HB LEU 72 2HB LEU 72 24.700 8.165 15.301 576 2HB LEU 72 1HB LEU 72 24.818 6.426 15.543 577 HG LEU 72 HG LEU 72 25.803 8.108 17.274 578 1HD1 LEU 72 1HD1 LEU 72 25.680 5.564 17.255 579 2HD1 LEU 72 3HD1 LEU 72 27.450 5.606 16.938 580 3HD1 LEU 72 2HD1 LEU 72 26.754 6.361 18.384 581 1HD2 LEU 72 3HD2 LEU 72 28.101 7.772 15.212 582 2HD2 LEU 72 2HD2 LEU 72 27.707 9.141 16.283 583 3HD2 LEU 72 1HD2 LEU 72 28.475 7.637 16.910 584 H ALA 73 H ALA 73 26.829 7.562 11.583 585 HA ALA 73 HA ALA 73 27.739 9.250 10.412 586 1HB ALA 73 2HB ALA 73 25.937 10.880 12.190 587 2HB ALA 73 1HB ALA 73 27.115 11.639 11.082 588 3HB ALA 73 3HB ALA 73 25.846 10.535 10.450 589 H ASP 74 H ASP 74 29.788 8.341 11.491 590 HA ASP 74 HA ASP 74 31.874 8.767 12.173 591 1HB ASP 74 2HB ASP 74 31.141 11.511 12.194 592 2HB ASP 74 1HB ASP 74 32.624 10.851 13.032 593 H GLY 75 H GLY 75 31.868 7.455 13.947 594 1HA GLY 75 1HA GLY 75 32.217 8.507 16.595 595 2HA GLY 75 2HA GLY 75 30.587 7.865 16.469 596 H THR 76 H THR 76 30.418 5.672 16.897 597 HA THR 76 HA THR 76 32.845 3.921 16.646 598 HB THR 76 HB THR 76 31.405 4.609 18.936 599 HG1 THR 76 1HG THR 76 33.471 4.396 19.052 600 1HG2 THR 76 1HG2 THR 76 31.306 1.585 18.138 601 2HG2 THR 76 3HG2 THR 76 31.257 2.079 19.831 602 3HG2 THR 76 2HG2 THR 76 29.967 2.587 18.755 603 H GLU 77 H GLU 77 29.174 3.974 16.640 604 HA GLU 77 HA GLU 77 29.140 1.946 14.567 605 1HB GLU 77 2HB GLU 77 29.455 1.066 17.296 606 2HB GLU 77 1HB GLU 77 28.085 0.298 16.643 607 1HG GLU 77 2HG GLU 77 30.203 0.077 14.591 608 2HG GLU 77 1HG GLU 77 30.954 -0.185 16.164 609 H LEU 78 H LEU 78 26.889 0.591 15.098 610 HA LEU 78 HA LEU 78 24.660 1.533 16.467 611 1HB LEU 78 2HB LEU 78 25.188 3.214 14.015 612 2HB LEU 78 1HB LEU 78 23.586 2.466 14.109 613 HG LEU 78 HG LEU 78 24.712 4.321 16.209 614 1HD1 LEU 78 3HD1 LEU 78 24.049 5.292 13.985 615 2HD1 LEU 78 2HD1 LEU 78 22.413 4.564 14.194 616 3HD1 LEU 78 1HD1 LEU 78 23.014 5.843 15.304 617 1HD2 LEU 78 1HD2 LEU 78 22.188 2.632 15.656 618 2HD2 LEU 78 3HD2 LEU 78 22.926 2.833 17.287 619 3HD2 LEU 78 2HD2 LEU 78 21.963 4.135 16.503 620 H THR 79 H THR 79 25.681 -0.711 15.931 621 HA THR 79 HA THR 79 25.366 -2.361 13.709 622 HB THR 79 HB THR 79 26.411 -3.216 15.540 623 HG1 THR 79 1HG THR 79 24.177 -4.810 15.137 624 1HG2 THR 79 1HG2 THR 79 24.114 -2.574 17.206 625 2HG2 THR 79 3HG2 THR 79 24.233 -4.350 17.121 626 3HG2 THR 79 2HG2 THR 79 25.627 -3.421 17.660 627 H GLY 80 H GLY 80 22.899 -0.893 15.690 628 1HA GLY 80 1HA GLY 80 20.798 -2.605 15.613 629 2HA GLY 80 2HA GLY 80 20.662 -0.803 15.447 630 H THR 81 H THR 81 18.804 -2.247 14.564 631 HA THR 81 HA THR 81 19.076 -2.305 11.542 632 HB THR 81 HB THR 81 17.240 -4.052 11.680 633 HG1 THR 81 1HG THR 81 17.519 -5.086 13.937 634 1HG2 THR 81 1HG2 THR 81 20.060 -4.588 12.530 635 2HG2 THR 81 3HG2 THR 81 18.872 -5.872 12.840 636 3HG2 THR 81 2HG2 THR 81 19.108 -5.204 11.204 637 H TRP 82 H TRP 82 18.489 -0.377 11.357 638 HA TRP 82 HA TRP 82 16.212 0.851 12.533 639 1HB TRP 82 2HB TRP 82 16.623 1.283 9.551 640 2HB TRP 82 1HB TRP 82 16.047 2.440 10.760 641 HD1 TRP 82 HD1 TRP 82 19.763 0.957 11.081 642 HE1 TRP 82 HE1 TRP 82 21.287 2.936 10.753 643 HE3 TRP 82 HE3 TRP 82 16.357 4.540 9.771 644 HZ2 TRP 82 HZ2 TRP 82 21.184 5.623 10.051 645 HZ3 TRP 82 HZ3 TRP 82 17.128 6.789 9.296 646 HH2 TRP 82 HH2 TRP 82 19.568 7.388 9.419 647 H THR 83 H THR 83 14.142 0.828 11.912 648 HA THR 83 HA THR 83 13.047 -0.525 9.536 649 HB THR 83 HB THR 83 11.401 -1.593 11.418 650 HG1 THR 83 1HG THR 83 13.588 -1.223 12.644 651 1HG2 THR 83 3HG2 THR 83 13.711 -2.925 9.905 652 2HG2 THR 83 2HG2 THR 83 12.439 -3.879 10.751 653 3HG2 THR 83 1HG2 THR 83 12.044 -2.800 9.383 654 H MET 84 H MET 84 10.779 -0.058 9.514 655 HA MET 84 HA MET 84 10.047 2.205 11.306 656 1HB MET 84 2HB MET 84 9.263 3.396 9.239 657 2HB MET 84 1HB MET 84 10.788 2.733 8.776 658 1HG MET 84 2HG MET 84 9.900 1.147 7.353 659 2HG MET 84 1HG MET 84 8.490 0.995 8.329 660 1HE MET 84 1HE MET 84 9.048 1.057 5.346 661 2HE MET 84 3HE MET 84 7.522 1.755 4.676 662 3HE MET 84 2HE MET 84 9.102 2.605 4.487 663 H GLU 85 H GLU 85 7.442 2.341 9.923 664 HA GLU 85 HA GLU 85 6.317 -0.365 10.376 665 1HB GLU 85 2HB GLU 85 6.735 1.058 12.606 666 2HB GLU 85 1HB GLU 85 5.181 1.811 12.089 667 1HG GLU 85 2HG GLU 85 5.382 -1.200 12.026 668 2HG GLU 85 1HG GLU 85 5.582 -0.559 13.605 669 H GLY 86 H GLY 86 3.653 1.175 10.987 670 1HA GLY 86 1HA GLY 86 3.058 1.650 8.159 671 2HA GLY 86 2HA GLY 86 1.908 1.530 9.617 672 H ASN 87 H ASN 87 3.843 3.123 11.158 673 HA ASN 87 HA ASN 87 3.289 5.782 9.904 674 1HB ASN 87 2HB ASN 87 2.516 6.898 11.566 675 2HB ASN 87 1HB ASN 87 1.461 5.583 10.788 676 1HD2 ASN 87 1HD2 ASN 87 0.600 4.760 14.128 677 2HD2 ASN 87 2HD2 ASN 87 0.050 5.506 12.680 678 H LYS 88 H LYS 88 5.973 3.985 10.852 679 HA LYS 88 HA LYS 88 7.463 6.358 11.027 680 1HB LYS 88 2HB LYS 88 8.322 6.021 13.364 681 2HB LYS 88 1HB LYS 88 6.829 6.809 13.319 682 1HG LYS 88 2HG LYS 88 5.599 5.083 14.310 683 2HG LYS 88 1HG LYS 88 6.683 3.823 13.626 684 1HD LYS 88 2HD LYS 88 6.669 4.596 16.193 685 2HD LYS 88 1HD LYS 88 8.090 3.848 15.400 686 1HE LYS 88 2HE LYS 88 9.122 6.076 15.131 687 2HE LYS 88 1HE LYS 88 7.601 6.792 15.782 688 1HZ LYS 88 1HZ LYS 88 8.101 5.169 17.730 689 2HZ LYS 88 3HZ LYS 88 9.675 5.449 17.236 690 3HZ LYS 88 2HZ LYS 88 8.636 6.744 17.617 691 H LEU 89 H LEU 89 9.436 6.126 10.940 692 HA LEU 89 HA LEU 89 10.868 3.660 10.391 693 1HB LEU 89 2HB LEU 89 11.282 6.525 10.205 694 2HB LEU 89 1HB LEU 89 12.421 5.857 11.288 695 HG LEU 89 HG LEU 89 12.043 5.553 8.345 696 1HD1 LEU 89 1HD1 LEU 89 14.209 6.135 10.327 697 2HD1 LEU 89 3HD1 LEU 89 14.729 5.492 8.759 698 3HD1 LEU 89 2HD1 LEU 89 13.836 7.013 8.801 699 1HD2 LEU 89 3HD2 LEU 89 12.516 3.039 9.755 700 2HD2 LEU 89 2HD2 LEU 89 13.308 3.406 8.181 701 3HD2 LEU 89 1HD2 LEU 89 14.134 3.703 9.692 702 H VAL 90 H VAL 90 13.027 3.721 11.820 703 HA VAL 90 HA VAL 90 12.482 4.361 14.620 704 HB VAL 90 HB VAL 90 13.255 1.559 14.165 705 1HG1 VAL 90 2HG1 VAL 90 12.757 3.160 16.517 706 2HG1 VAL 90 1HG1 VAL 90 11.647 1.749 16.522 707 3HG1 VAL 90 3HG1 VAL 90 13.387 1.542 16.332 708 1HG2 VAL 90 3HG2 VAL 90 10.668 2.137 13.226 709 2HG2 VAL 90 2HG2 VAL 90 10.858 0.824 14.362 710 3HG2 VAL 90 1HG2 VAL 90 10.364 2.450 14.921 711 H GLY 91 H GLY 91 14.800 4.783 12.492 712 1HA GLY 91 1HA GLY 91 17.045 4.248 12.118 713 2HA GLY 91 2HA GLY 91 16.975 5.124 13.672 714 H LYS 92 H LYS 92 16.384 3.491 15.432 715 HA LYS 92 HA LYS 92 16.662 1.672 16.694 716 1HB LYS 92 2HB LYS 92 17.219 0.289 14.055 717 2HB LYS 92 1HB LYS 92 17.546 -0.554 15.555 718 1HG LYS 92 2HG LYS 92 14.871 0.795 15.104 719 2HG LYS 92 1HG LYS 92 15.163 -0.891 14.857 720 1HD LYS 92 2HD LYS 92 16.369 -0.650 17.257 721 2HD LYS 92 1HD LYS 92 15.074 0.558 17.363 722 1HE LYS 92 2HE LYS 92 13.370 -0.971 17.431 723 2HE LYS 92 1HE LYS 92 14.133 -1.974 16.193 724 1HZ LYS 92 3HZ LYS 92 15.696 -2.634 18.064 725 2HZ LYS 92 2HZ LYS 92 14.548 -1.918 19.116 726 3HZ LYS 92 1HZ LYS 92 14.090 -3.195 18.110 727 H PHE 93 H PHE 93 18.913 -0.279 16.724 728 HA PHE 93 HA PHE 93 21.292 1.415 16.806 729 1HB PHE 93 2HB PHE 93 20.951 1.212 19.512 730 2HB PHE 93 1HB PHE 93 20.360 2.551 18.639 731 HD1 PHE 93 HD2 PHE 93 19.750 -1.007 19.382 732 HD2 PHE 93 HD1 PHE 93 17.691 2.732 19.244 733 HE1 PHE 93 HE2 PHE 93 17.763 -2.101 20.210 734 HE2 PHE 93 HE1 PHE 93 15.665 1.588 20.152 735 HZ PHE 93 HZ PHE 93 15.669 -0.797 20.603 736 H LYS 94 H LYS 94 22.440 0.932 18.739 737 HA LYS 94 HA LYS 94 23.025 -0.211 20.555 738 1HB LYS 94 2HB LYS 94 22.509 -2.707 18.892 739 2HB LYS 94 1HB LYS 94 23.739 -2.623 20.373 740 1HG LYS 94 2HG LYS 94 22.168 -1.777 21.792 741 2HG LYS 94 1HG LYS 94 21.203 -1.141 20.622 742 1HD LYS 94 2HD LYS 94 20.210 -3.358 20.058 743 2HD LYS 94 1HD LYS 94 21.348 -4.186 21.070 744 1HE LYS 94 2HE LYS 94 20.408 -2.817 23.034 745 2HE LYS 94 1HE LYS 94 19.015 -2.420 21.911 746 1HZ LYS 94 1HZ LYS 94 19.929 -5.186 22.210 747 2HZ LYS 94 3HZ LYS 94 18.962 -4.460 23.393 748 3HZ LYS 94 2HZ LYS 94 18.416 -4.524 21.821 749 H ARG 95 H ARG 95 24.167 1.381 19.047 750 HA ARG 95 HA ARG 95 26.231 0.981 17.382 751 1HB ARG 95 2HB ARG 95 27.110 2.491 19.845 752 2HB ARG 95 1HB ARG 95 27.200 2.895 18.070 753 1HG ARG 95 2HG ARG 95 26.022 4.466 19.556 754 2HG ARG 95 1HG ARG 95 25.048 4.016 18.221 755 1HD ARG 95 2HD ARG 95 24.369 4.235 20.626 756 2HD ARG 95 1HD ARG 95 23.402 3.197 19.558 757 HE ARG 95 HE ARG 95 23.904 1.368 20.764 758 1HH1 ARG 95 2HH1 ARG 95 26.327 3.649 21.394 759 2HH1 ARG 95 1HH1 ARG 95 27.338 2.760 22.418 760 1HH2 ARG 95 2HH2 ARG 95 24.862 0.003 21.713 761 2HH2 ARG 95 1HH2 ARG 95 26.325 0.063 22.567 762 H VAL 96 H VAL 96 26.413 -0.950 20.276 763 HA VAL 96 HA VAL 96 28.262 -1.835 21.159 764 HB VAL 96 HB VAL 96 29.700 -0.832 18.638 765 1HG1 VAL 96 3HG1 VAL 96 30.653 -2.061 21.064 766 2HG1 VAL 96 2HG1 VAL 96 30.869 -3.144 19.651 767 3HG1 VAL 96 1HG1 VAL 96 31.602 -1.563 19.619 768 1HG2 VAL 96 3HG2 VAL 96 27.819 -3.129 19.061 769 2HG2 VAL 96 2HG2 VAL 96 28.268 -2.225 17.624 770 3HG2 VAL 96 1HG2 VAL 96 29.378 -3.473 18.226 771 H ASP 97 H ASP 97 28.794 1.664 20.068 772 HA ASP 97 HA ASP 97 30.803 2.505 21.699 773 1HB ASP 97 2HB ASP 97 29.973 4.116 20.601 774 2HB ASP 97 1HB ASP 97 28.328 3.748 20.940 775 H ASN 98 H ASN 98 27.749 1.051 22.388 776 HA ASN 98 HA ASN 98 28.303 1.090 25.249 777 1HB ASN 98 2HB ASN 98 27.893 3.318 24.557 778 2HB ASN 98 1HB ASN 98 26.373 2.849 24.035 779 1HD2 ASN 98 1HD2 ASN 98 26.584 4.118 27.825 780 2HD2 ASN 98 2HD2 ASN 98 27.668 4.560 26.511 781 H GLY 99 H GLY 99 25.189 1.530 23.881 782 1HA GLY 99 1HA GLY 99 23.888 -0.784 23.365 783 2HA GLY 99 2HA GLY 99 23.800 -0.803 25.058 784 H LYS 100 H LYS 100 23.673 1.894 22.793 785 HA LYS 100 HA LYS 100 21.643 3.429 24.202 786 1HB LYS 100 2HB LYS 100 23.526 3.673 22.183 787 2HB LYS 100 1HB LYS 100 22.064 4.543 21.815 788 1HG LYS 100 2HG LYS 100 22.712 6.154 23.523 789 2HG LYS 100 1HG LYS 100 22.927 4.791 24.670 790 1HD LYS 100 2HD LYS 100 25.129 4.425 24.099 791 2HD LYS 100 1HD LYS 100 24.936 4.913 22.494 792 1HE LYS 100 2HE LYS 100 26.437 6.361 23.777 793 2HE LYS 100 1HE LYS 100 25.171 7.177 22.856 794 1HZ LYS 100 3HZ LYS 100 25.003 6.511 25.743 795 2HZ LYS 100 2HZ LYS 100 25.368 8.082 25.178 796 3HZ LYS 100 1HZ LYS 100 23.859 7.378 24.893 797 H GLU 101 H GLU 101 20.124 4.523 22.769 798 HA GLU 101 HA GLU 101 19.188 2.853 20.537 799 1HB GLU 101 2HB GLU 101 17.390 3.346 22.878 800 2HB GLU 101 1HB GLU 101 16.757 2.827 21.380 801 1HG GLU 101 2HG GLU 101 18.255 0.715 21.462 802 2HG GLU 101 1HG GLU 101 18.914 1.346 22.874 803 H LEU 102 H LEU 102 20.376 4.726 19.932 804 HA LEU 102 HA LEU 102 19.688 7.363 19.522 805 1HB LEU 102 2HB LEU 102 20.355 5.121 17.572 806 2HB LEU 102 1HB LEU 102 20.203 6.825 17.060 807 HG LEU 102 HG LEU 102 21.894 6.836 19.384 808 1HD1 LEU 102 3HD1 LEU 102 22.241 4.295 18.468 809 2HD1 LEU 102 2HD1 LEU 102 23.543 5.199 17.613 810 3HD1 LEU 102 1HD1 LEU 102 23.395 5.281 19.394 811 1HD2 LEU 102 1HD2 LEU 102 22.175 7.236 16.299 812 2HD2 LEU 102 3HD2 LEU 102 22.228 8.467 17.540 813 3HD2 LEU 102 2HD2 LEU 102 23.603 7.358 17.384 814 H ILE 103 H ILE 103 18.540 4.509 17.776 815 HA ILE 103 HA ILE 103 16.547 3.800 17.119 816 HB ILE 103 HB ILE 103 16.040 5.776 19.232 817 1HG1 ILE 103 2HG1 ILE 103 15.974 3.571 19.825 818 2HG1 ILE 103 1HG1 ILE 103 14.262 3.945 19.731 819 1HG2 ILE 103 3HG2 ILE 103 14.582 6.837 17.440 820 2HG2 ILE 103 2HG2 ILE 103 13.597 5.334 17.587 821 3HG2 ILE 103 1HG2 ILE 103 13.882 6.432 18.984 822 1HD1 ILE 103 1HD1 ILE 103 14.944 3.000 17.220 823 2HD1 ILE 103 3HD1 ILE 103 15.792 2.004 18.335 824 3HD1 ILE 103 2HD1 ILE 103 14.001 2.119 18.477 825 H ALA 104 H ALA 104 18.037 6.422 15.915 826 HA ALA 104 HA ALA 104 16.995 8.386 14.765 827 1HB ALA 104 1HB ALA 104 19.026 6.881 13.799 828 2HB ALA 104 3HB ALA 104 17.843 6.424 12.585 829 3HB ALA 104 2HB ALA 104 18.254 8.153 12.844 830 H VAL 105 H VAL 105 14.573 7.848 15.320 831 HA VAL 105 HA VAL 105 13.386 6.421 12.986 832 HB VAL 105 HB VAL 105 11.540 6.155 13.992 833 1HG1 VAL 105 3HG1 VAL 105 12.914 5.606 15.966 834 2HG1 VAL 105 2HG1 VAL 105 12.676 7.261 16.642 835 3HG1 VAL 105 1HG1 VAL 105 11.329 6.191 16.386 836 1HG2 VAL 105 1HG2 VAL 105 11.373 9.095 14.264 837 2HG2 VAL 105 3HG2 VAL 105 10.143 7.796 14.044 838 3HG2 VAL 105 2HG2 VAL 105 10.684 8.289 15.643 839 H ARG 106 H ARG 106 12.170 7.717 11.357 840 HA ARG 106 HA ARG 106 12.322 10.683 11.405 841 1HB ARG 106 2HB ARG 106 13.144 8.647 9.575 842 2HB ARG 106 1HB ARG 106 11.707 9.382 8.846 843 1HG ARG 106 2HG ARG 106 12.771 11.013 8.103 844 2HG ARG 106 1HG ARG 106 12.852 11.634 9.682 845 1HD ARG 106 2HD ARG 106 15.124 9.777 8.617 846 2HD ARG 106 1HD ARG 106 15.073 11.553 8.376 847 HE ARG 106 HE ARG 106 15.299 11.900 10.672 848 1HH1 ARG 106 2HH2 ARG 106 15.713 8.405 9.871 849 2HH1 ARG 106 1HH2 ARG 106 16.557 8.116 11.379 850 1HH2 ARG 106 2HH1 ARG 106 16.374 11.354 12.531 851 2HH2 ARG 106 1HH1 ARG 106 16.925 9.746 12.868 852 H GLU 107 H GLU 107 10.677 8.235 12.294 853 HA GLU 107 HA GLU 107 8.525 7.374 12.057 854 1HB GLU 107 2HB GLU 107 9.102 10.102 13.102 855 2HB GLU 107 1HB GLU 107 7.318 9.913 12.796 856 1HG GLU 107 2HG GLU 107 8.308 7.623 14.215 857 2HG GLU 107 1HG GLU 107 8.990 8.919 14.983 858 H ILE 108 H ILE 108 8.417 10.807 11.236 859 HA ILE 108 HA ILE 108 7.368 12.098 9.814 860 HB ILE 108 HB ILE 108 8.351 10.126 8.210 861 1HG1 ILE 108 2HG1 ILE 108 6.408 12.181 7.042 862 2HG1 ILE 108 1HG1 ILE 108 7.758 12.679 8.046 863 1HG2 ILE 108 3HG2 ILE 108 5.327 10.392 7.598 864 2HG2 ILE 108 2HG2 ILE 108 6.468 9.679 6.500 865 3HG2 ILE 108 1HG2 ILE 108 6.067 8.823 8.036 866 1HD1 ILE 108 2HD1 ILE 108 8.978 10.816 6.380 867 2HD1 ILE 108 1HD1 ILE 108 7.752 11.557 5.297 868 3HD1 ILE 108 3HD1 ILE 108 8.962 12.600 6.128 869 H SER 109 H SER 109 5.651 12.757 10.658 870 HA SER 109 HA SER 109 3.208 11.550 9.742 871 1HB SER 109 2HB SER 109 3.256 10.121 11.682 872 2HB SER 109 1HB SER 109 4.108 11.353 12.609 873 HG SER 109 HG SER 109 1.343 11.523 11.860 874 H GLY 110 H GLY 110 2.257 13.055 8.950 875 1HA GLY 110 1HA GLY 110 1.144 14.999 8.549 876 2HA GLY 110 2HA GLY 110 1.091 15.215 10.347 877 H ASN 111 H ASN 111 2.805 16.093 7.356 878 HA ASN 111 HA ASN 111 4.454 17.724 6.993 879 1HB ASN 111 2HB ASN 111 3.682 19.059 9.553 880 2HB ASN 111 1HB ASN 111 4.715 19.637 8.282 881 1HD2 ASN 111 1HD2 ASN 111 0.589 19.689 7.865 882 2HD2 ASN 111 2HD2 ASN 111 1.392 18.768 9.106 883 H GLU 112 H GLU 112 6.444 16.303 7.281 884 HA GLU 112 HA GLU 112 7.691 16.582 9.948 885 1HB GLU 112 2HB GLU 112 7.220 13.963 10.242 886 2HB GLU 112 1HB GLU 112 5.961 15.088 10.663 887 1HG GLU 112 2HG GLU 112 6.024 12.905 8.775 888 2HG GLU 112 1HG GLU 112 4.670 13.768 9.373 889 H LEU 113 H LEU 113 8.920 14.663 10.462 890 HA LEU 113 HA LEU 113 9.884 12.630 8.873 891 1HB LEU 113 2HB LEU 113 11.775 15.053 9.081 892 2HB LEU 113 1HB LEU 113 12.349 13.385 9.083 893 HG LEU 113 HG LEU 113 10.775 14.516 6.728 894 1HD1 LEU 113 2HD1 LEU 113 13.339 15.175 7.470 895 2HD1 LEU 113 1HD1 LEU 113 13.681 13.684 6.583 896 3HD1 LEU 113 3HD1 LEU 113 12.780 15.024 5.800 897 1HD2 LEU 113 2HD2 LEU 113 11.135 11.863 7.571 898 2HD2 LEU 113 1HD2 LEU 113 10.843 12.356 5.918 899 3HD2 LEU 113 3HD2 LEU 113 12.540 12.167 6.493 900 H ILE 114 H ILE 114 10.486 15.035 11.383 901 HA ILE 114 HA ILE 114 10.598 14.887 13.623 902 HB ILE 114 HB ILE 114 10.042 12.025 13.905 903 1HG1 ILE 114 2HG1 ILE 114 8.604 12.657 11.667 904 2HG1 ILE 114 1HG1 ILE 114 8.067 11.659 12.919 905 1HG2 ILE 114 1HG2 ILE 114 10.141 13.889 15.554 906 2HG2 ILE 114 3HG2 ILE 114 8.530 14.295 15.065 907 3HG2 ILE 114 2HG2 ILE 114 8.914 12.671 15.713 908 1HD1 ILE 114 2HD1 ILE 114 7.487 14.673 13.189 909 2HD1 ILE 114 1HD1 ILE 114 6.553 13.772 12.016 910 3HD1 ILE 114 3HD1 ILE 114 6.445 13.298 13.693 911 H GLN 115 H GLN 115 12.551 12.712 11.741 912 HA GLN 115 HA GLN 115 14.385 11.423 12.332 913 1HB GLN 115 2HB GLN 115 14.896 14.095 13.673 914 2HB GLN 115 1HB GLN 115 16.042 13.253 12.664 915 1HG GLN 115 2HG GLN 115 14.743 14.130 10.603 916 2HG GLN 115 1HG GLN 115 13.435 14.680 11.658 917 1HE2 GLN 115 2HE2 GLN 115 16.707 16.793 12.780 918 2HE2 GLN 115 1HE2 GLN 115 16.606 15.155 13.256 919 H THR 116 H THR 116 12.479 11.480 14.599 920 HA THR 116 HA THR 116 13.576 12.030 17.099 921 HB THR 116 HB THR 116 11.732 9.949 15.928 922 HG1 THR 116 1HG THR 116 10.241 11.214 17.303 923 1HG2 THR 116 1HG2 THR 116 12.749 10.048 18.844 924 2HG2 THR 116 3HG2 THR 116 10.969 9.909 18.633 925 3HG2 THR 116 2HG2 THR 116 12.014 8.705 17.926 926 H TYR 117 H TYR 117 15.778 11.518 17.111 927 HA TYR 117 HA TYR 117 16.027 8.579 17.601 928 1HB TYR 117 2HB TYR 117 18.628 9.812 17.912 929 2HB TYR 117 1HB TYR 117 18.219 8.595 16.918 930 HD1 TYR 117 HD1 TYR 117 17.684 12.285 16.531 931 HD2 TYR 117 HD2 TYR 117 19.070 8.680 14.840 932 HE1 TYR 117 HE1 TYR 117 18.362 13.512 14.453 933 HE2 TYR 117 HE2 TYR 117 19.773 9.833 12.738 934 HH TYR 117 HH TYR 117 19.703 11.722 11.603 935 H THR 118 H THR 118 15.601 8.164 19.460 936 HA THR 118 HA THR 118 16.310 9.884 21.758 937 HB THR 118 HB THR 118 14.469 7.549 21.992 938 HG1 THR 118 1HG THR 118 13.932 8.757 20.236 939 1HG2 THR 118 1HG2 THR 118 15.347 9.142 23.979 940 2HG2 THR 118 3HG2 THR 118 14.510 10.482 23.172 941 3HG2 THR 118 2HG2 THR 118 13.585 9.092 23.800 942 H TYR 119 H TYR 119 18.642 8.794 21.480 943 HA TYR 119 HA TYR 119 19.125 6.023 22.266 944 1HB TYR 119 2HB TYR 119 21.286 6.492 22.359 945 2HB TYR 119 1HB TYR 119 20.810 7.524 21.041 946 HD1 TYR 119 HD2 TYR 119 19.552 9.669 23.172 947 HD2 TYR 119 HD1 TYR 119 23.366 7.770 22.815 948 HE1 TYR 119 HE2 TYR 119 20.480 11.468 24.416 949 HE2 TYR 119 HE1 TYR 119 24.346 9.610 24.081 950 HH TYR 119 HH TYR 119 22.369 12.206 25.403 951 H GLU 120 H GLU 120 18.142 8.806 24.055 952 HA GLU 120 HA GLU 120 18.271 7.248 26.523 953 1HB GLU 120 2HB GLU 120 20.357 7.180 26.895 954 2HB GLU 120 1HB GLU 120 20.720 8.280 25.564 955 1HG GLU 120 2HG GLU 120 21.614 9.546 27.250 956 2HG GLU 120 1HG GLU 120 20.000 10.247 27.125 957 H GLY 121 H GLY 121 16.766 9.666 25.040 958 1HA GLY 121 1HA GLY 121 15.074 10.821 26.411 959 2HA GLY 121 2HA GLY 121 16.191 11.117 27.569 960 H VAL 122 H VAL 122 17.286 11.323 24.254 961 HA VAL 122 HA VAL 122 17.101 14.291 24.285 962 HB VAL 122 HB VAL 122 19.544 12.777 23.425 963 1HG1 VAL 122 1HG1 VAL 122 18.889 15.700 23.928 964 2HG1 VAL 122 3HG1 VAL 122 20.533 15.166 24.181 965 3HG1 VAL 122 2HG1 VAL 122 19.779 14.943 22.572 966 1HG2 VAL 122 1HG2 VAL 122 19.052 12.492 26.018 967 2HG2 VAL 122 3HG2 VAL 122 20.609 13.161 25.610 968 3HG2 VAL 122 2HG2 VAL 122 19.300 14.270 26.125 969 H GLU 123 H GLU 123 15.577 12.282 22.852 970 HA GLU 123 HA GLU 123 15.954 11.595 20.203 971 1HB GLU 123 2HB GLU 123 13.596 12.046 21.497 972 2HB GLU 123 1HB GLU 123 13.814 13.664 21.125 973 1HG GLU 123 2HG GLU 123 14.120 13.101 18.669 974 2HG GLU 123 1HG GLU 123 13.978 11.494 18.891 975 H ALA 124 H ALA 124 16.996 12.423 18.590 976 HA ALA 124 HA ALA 124 17.145 15.386 18.650 977 1HB ALA 124 1HB ALA 124 19.386 14.170 18.633 978 2HB ALA 124 3HB ALA 124 19.027 13.531 17.023 979 3HB ALA 124 2HB ALA 124 19.124 15.275 17.214 980 H LYS 125 H LYS 125 15.777 16.410 17.536 981 HA LYS 125 HA LYS 125 15.393 15.522 14.708 982 1HB LYS 125 2HB LYS 125 12.820 16.285 15.793 983 2HB LYS 125 1HB LYS 125 13.353 14.968 14.788 984 1HG LYS 125 2HG LYS 125 12.772 13.737 16.946 985 2HG LYS 125 1HG LYS 125 14.433 13.978 17.020 986 1HD LYS 125 2HD LYS 125 13.062 14.675 19.037 987 2HD LYS 125 1HD LYS 125 14.196 15.886 18.458 988 1HE LYS 125 2HE LYS 125 12.421 17.213 17.412 989 2HE LYS 125 1HE LYS 125 11.188 16.041 17.916 990 1HZ LYS 125 2HZ LYS 125 13.025 17.063 19.942 991 2HZ LYS 125 1HZ LYS 125 11.742 18.076 19.428 992 3HZ LYS 125 3HZ LYS 125 11.442 16.538 20.064 993 H ARG 126 H ARG 126 13.488 17.117 13.919 994 HA ARG 126 HA ARG 126 13.023 19.646 15.140 995 1HB ARG 126 2HB ARG 126 15.473 19.690 13.549 996 2HB ARG 126 1HB ARG 126 14.214 20.981 13.321 997 1HG ARG 126 2HG ARG 126 15.121 20.398 16.141 998 2HG ARG 126 1HG ARG 126 15.904 21.691 15.071 999 1HD ARG 126 2HD ARG 126 13.069 21.651 14.722 1000 2HD ARG 126 1HD ARG 126 13.495 21.730 16.463 1001 HE ARG 126 HE ARG 126 14.058 23.699 14.390 1002 1HH1 ARG 126 2HH2 ARG 126 14.949 22.758 17.746 1003 2HH1 ARG 126 1HH2 ARG 126 15.597 24.327 18.074 1004 1HH2 ARG 126 1HH1 ARG 126 14.931 25.721 14.930 1005 2HH2 ARG 126 2HH1 ARG 126 15.570 25.892 16.546 1006 H ILE 127 H ILE 127 14.097 17.988 12.280 1007 HA ILE 127 HA ILE 127 12.471 16.968 10.839 1008 HB ILE 127 HB ILE 127 10.975 19.582 11.131 1009 1HG1 ILE 127 2HG1 ILE 127 9.221 18.050 11.626 1010 2HG1 ILE 127 1HG1 ILE 127 10.079 16.712 10.850 1011 1HG2 ILE 127 3HG2 ILE 127 11.147 19.293 8.705 1012 2HG2 ILE 127 2HG2 ILE 127 10.361 17.689 8.950 1013 3HG2 ILE 127 1HG2 ILE 127 9.510 19.168 9.290 1014 1HD1 ILE 127 3HD1 ILE 127 10.768 17.997 13.647 1015 2HD1 ILE 127 2HD1 ILE 127 9.820 16.579 13.398 1016 3HD1 ILE 127 1HD1 ILE 127 11.547 16.536 12.958 1017 H PHE 128 H PHE 128 12.072 17.017 8.840 1018 HA PHE 128 HA PHE 128 14.012 17.279 7.088 1019 1HB PHE 128 2HB PHE 128 12.226 16.933 5.415 1020 2HB PHE 128 1HB PHE 128 11.515 16.264 6.843 1021 HD1 PHE 128 HD1 PHE 128 11.578 19.560 5.000 1022 HD2 PHE 128 HD2 PHE 128 9.397 16.962 7.465 1023 HE1 PHE 128 HE1 PHE 128 9.559 20.974 4.751 1024 HE2 PHE 128 HE2 PHE 128 7.392 18.279 7.283 1025 HZ PHE 128 HZ PHE 128 7.450 20.374 5.874 1026 H LYS 129 H LYS 129 14.418 18.209 5.406 1027 HA LYS 129 HA LYS 129 13.664 21.008 5.107 1028 1HB LYS 129 2HB LYS 129 16.047 20.647 5.886 1029 2HB LYS 129 1HB LYS 129 16.414 20.402 4.161 1030 1HG LYS 129 2HG LYS 129 14.570 22.673 5.145 1031 2HG LYS 129 1HG LYS 129 16.233 22.788 5.452 1032 1HD LYS 129 2HD LYS 129 16.586 23.555 3.248 1033 2HD LYS 129 1HD LYS 129 15.858 22.065 2.659 1034 1HE LYS 129 2HE LYS 129 13.563 23.056 2.910 1035 2HE LYS 129 1HE LYS 129 14.203 24.495 3.654 1036 1HZ LYS 129 3HZ LYS 129 14.859 23.648 0.901 1037 2HZ LYS 129 2HZ LYS 129 13.545 24.666 1.266 1038 3HZ LYS 129 1HZ LYS 129 15.101 25.181 1.576 1039 H LYS 130 H LYS 130 12.917 18.303 4.313 1040 HA LYS 130 HA LYS 130 12.449 17.193 2.236 1041 1HB LYS 130 2HB LYS 130 10.611 17.345 2.772 1042 2HB LYS 130 1HB LYS 130 10.564 19.140 3.064 1043 1HG LYS 130 2HG LYS 130 10.677 17.930 0.278 1044 2HG LYS 130 1HG LYS 130 9.266 17.602 1.172 1045 1HD LYS 130 2HD LYS 130 9.606 20.436 1.496 1046 2HD LYS 130 1HD LYS 130 9.908 20.141 -0.225 1047 1HE LYS 130 2HE LYS 130 7.429 19.502 1.446 1048 2HE LYS 130 1HE LYS 130 7.534 20.426 -0.087 1049 1HZ LYS 130 2HZ LYS 130 8.264 18.189 -0.979 1050 2HZ LYS 130 1HZ LYS 130 7.529 17.553 0.418 1051 3HZ LYS 130 3HZ LYS 130 6.614 18.428 -0.677 1052 H GLU 131 H GLU 131 12.362 17.051 0.287 1053 HA GLU 131 HA GLU 131 12.943 19.390 -1.352 1054 1HB GLU 131 2HB GLU 131 14.946 18.343 -0.202 1055 2HB GLU 131 1HB GLU 131 14.932 17.206 -1.093 1056 1HG GLU 131 2HG GLU 131 15.403 20.089 -2.120 1057 2HG GLU 131 1HG GLU 131 16.627 18.830 -1.915 No H/Q in entry = 1057 Start of MODEL 8 1 1H ALA 1 1H ALA 1 2.893 8.064 3.265 2 2H ALA 1 3H ALA 1 1.668 9.133 3.505 3 3H ALA 1 2H ALA 1 2.160 8.778 1.973 4 HA ALA 1 HA ALA 1 3.505 10.581 2.110 5 1HB ALA 1 3HB ALA 1 2.550 10.113 4.982 6 2HB ALA 1 2HB ALA 1 3.809 11.350 4.611 7 3HB ALA 1 1HB ALA 1 2.198 11.454 3.864 8 H PHE 2 H PHE 2 5.951 10.935 3.399 9 HA PHE 2 HA PHE 2 7.892 9.963 4.134 10 1HB PHE 2 2HB PHE 2 6.125 8.050 5.046 11 2HB PHE 2 1HB PHE 2 7.103 7.134 3.852 12 HD1 PHE 2 HD1 PHE 2 9.356 9.638 5.306 13 HD2 PHE 2 HD2 PHE 2 7.298 5.960 6.220 14 HE1 PHE 2 HE1 PHE 2 10.898 9.132 7.051 15 HE2 PHE 2 HE2 PHE 2 8.882 5.488 7.991 16 HZ PHE 2 HZ PHE 2 10.744 7.127 8.434 17 H ASP 3 H ASP 3 7.214 10.392 1.348 18 HA ASP 3 HA ASP 3 9.019 8.392 -0.061 19 1HB ASP 3 2HB ASP 3 7.791 8.902 -2.122 20 2HB ASP 3 1HB ASP 3 6.794 8.009 -0.889 21 H GLY 4 H GLY 4 10.017 9.432 -2.151 22 1HA GLY 4 1HA GLY 4 10.884 11.585 -3.075 23 2HA GLY 4 2HA GLY 4 9.975 12.332 -1.874 24 H THR 5 H THR 5 11.254 13.670 -1.288 25 HA THR 5 HA THR 5 13.937 13.347 0.039 26 HB THR 5 HB THR 5 14.243 15.431 -0.339 27 HG1 THR 5 1HG THR 5 11.532 15.349 -0.555 28 1HG2 THR 5 3HG2 THR 5 14.041 13.664 -2.458 29 2HG2 THR 5 2HG2 THR 5 12.784 14.806 -2.993 30 3HG2 THR 5 1HG2 THR 5 14.475 15.383 -2.788 31 H TRP 6 H TRP 6 14.407 14.613 1.567 32 HA TRP 6 HA TRP 6 12.596 15.489 3.695 33 1HB TRP 6 2HB TRP 6 13.957 12.726 3.357 34 2HB TRP 6 1HB TRP 6 13.723 13.536 4.894 35 HD1 TRP 6 HD1 TRP 6 12.201 10.850 3.237 36 HE1 TRP 6 HE1 TRP 6 9.666 10.607 3.195 37 HE3 TRP 6 HE3 TRP 6 10.910 15.601 4.684 38 HZ2 TRP 6 HZ2 TRP 6 7.457 12.146 3.630 39 HZ3 TRP 6 HZ3 TRP 6 8.536 16.071 4.809 40 HH2 TRP 6 HH2 TRP 6 6.812 14.381 4.294 41 H LYS 7 H LYS 7 14.093 16.055 5.606 42 HA LYS 7 HA LYS 7 16.976 15.783 5.056 43 1HB LYS 7 2HB LYS 7 15.940 18.476 5.302 44 2HB LYS 7 1HB LYS 7 17.419 17.929 4.679 45 1HG LYS 7 2HG LYS 7 16.231 16.801 2.795 46 2HG LYS 7 1HG LYS 7 14.740 17.352 3.099 47 1HD LYS 7 2HD LYS 7 15.928 18.427 1.199 48 2HD LYS 7 1HD LYS 7 15.770 19.753 2.340 49 1HE LYS 7 2HE LYS 7 17.943 19.961 2.598 50 2HE LYS 7 1HE LYS 7 18.229 18.230 2.831 51 1HZ LYS 7 1HZ LYS 7 17.639 18.772 0.100 52 2HZ LYS 7 3HZ LYS 7 18.839 19.785 0.666 53 3HZ LYS 7 2HZ LYS 7 19.016 18.091 0.829 54 H VAL 8 H VAL 8 17.263 18.285 6.658 55 HA VAL 8 HA VAL 8 15.977 17.645 9.166 56 HB VAL 8 HB VAL 8 18.868 17.126 8.934 57 1HG1 VAL 8 3HG1 VAL 8 17.435 18.549 11.017 58 2HG1 VAL 8 2HG1 VAL 8 17.766 16.987 11.710 59 3HG1 VAL 8 1HG1 VAL 8 19.092 18.049 11.109 60 1HG2 VAL 8 1HG2 VAL 8 16.494 15.518 9.868 61 2HG2 VAL 8 3HG2 VAL 8 17.670 15.061 8.652 62 3HG2 VAL 8 2HG2 VAL 8 18.083 15.045 10.406 63 H ASP 9 H ASP 9 15.192 19.534 8.118 64 HA ASP 9 HA ASP 9 16.361 21.959 7.639 65 1HB ASP 9 2HB ASP 9 13.968 20.966 7.840 66 2HB ASP 9 1HB ASP 9 14.030 21.532 9.450 67 H ARG 10 H ARG 10 15.199 20.688 10.709 68 HA ARG 10 HA ARG 10 16.971 22.669 12.132 69 1HB ARG 10 2HB ARG 10 14.934 22.485 13.868 70 2HB ARG 10 1HB ARG 10 15.079 23.677 12.599 71 1HG ARG 10 2HG ARG 10 13.628 21.276 11.636 72 2HG ARG 10 1HG ARG 10 12.843 22.073 12.975 73 1HD ARG 10 2HD ARG 10 12.904 24.247 11.824 74 2HD ARG 10 1HD ARG 10 13.586 23.482 10.349 75 HE ARG 10 HE ARG 10 11.359 21.977 10.926 76 1HH1 ARG 10 1HH1 ARG 10 11.804 25.564 10.657 77 2HH1 ARG 10 2HH1 ARG 10 10.151 25.737 10.151 78 1HH2 ARG 10 2HH2 ARG 10 9.274 22.414 10.266 79 2HH2 ARG 10 1HH2 ARG 10 8.714 24.014 9.927 80 H ASN 11 H ASN 11 17.554 21.737 14.418 81 HA ASN 11 HA ASN 11 17.173 18.804 14.331 82 1HB ASN 11 2HB ASN 11 19.787 19.146 15.134 83 2HB ASN 11 1HB ASN 11 19.202 18.467 13.611 84 1HD2 ASN 11 2HD2 ASN 11 21.512 20.776 12.182 85 2HD2 ASN 11 1HD2 ASN 11 21.221 19.119 12.613 86 H GLU 12 H GLU 12 17.015 17.843 16.109 87 HA GLU 12 HA GLU 12 17.481 19.261 18.707 88 1HB GLU 12 2HB GLU 12 15.381 19.481 18.300 89 2HB GLU 12 1HB GLU 12 15.139 17.877 17.570 90 1HG GLU 12 2HG GLU 12 14.125 18.464 19.973 91 2HG GLU 12 1HG GLU 12 14.590 16.853 19.493 92 H ASN 13 H ASN 13 18.100 17.697 20.322 93 HA ASN 13 HA ASN 13 19.482 16.199 21.225 94 1HB ASN 13 2HB ASN 13 17.539 14.577 19.976 95 2HB ASN 13 1HB ASN 13 19.178 13.860 19.773 96 1HD2 ASN 13 2HD2 ASN 13 17.302 14.557 23.460 97 2HD2 ASN 13 1HD2 ASN 13 16.803 15.241 21.981 98 H TYR 14 H TYR 14 19.422 16.008 17.701 99 HA TYR 14 HA TYR 14 21.027 15.824 16.159 100 1HB TYR 14 2HB TYR 14 21.842 18.143 16.175 101 2HB TYR 14 1HB TYR 14 20.183 17.741 16.363 102 HD1 TYR 14 HD2 TYR 14 22.970 17.712 18.871 103 HD2 TYR 14 HD1 TYR 14 19.111 19.064 17.849 104 HE1 TYR 14 HE2 TYR 14 22.577 18.122 21.194 105 HE2 TYR 14 HE1 TYR 14 18.652 19.488 20.182 106 HH TYR 14 HH TYR 14 20.138 18.433 22.691 107 H GLU 15 H GLU 15 23.511 17.608 16.978 108 HA GLU 15 HA GLU 15 25.681 15.918 17.028 109 1HB GLU 15 2HB GLU 15 26.959 17.592 17.538 110 2HB GLU 15 1HB GLU 15 25.504 18.435 16.909 111 1HG GLU 15 2HG GLU 15 24.903 18.395 19.562 112 2HG GLU 15 1HG GLU 15 26.650 18.255 19.738 113 H LYS 16 H LYS 16 23.476 16.441 20.006 114 HA LYS 16 HA LYS 16 25.649 15.692 21.822 115 1HB LYS 16 2HB LYS 16 23.827 17.293 22.388 116 2HB LYS 16 1HB LYS 16 22.839 15.793 22.597 117 1HG LYS 16 2HG LYS 16 23.836 16.199 24.762 118 2HG LYS 16 1HG LYS 16 24.667 14.823 24.002 119 1HD LYS 16 2HD LYS 16 26.622 15.915 23.751 120 2HD LYS 16 1HD LYS 16 25.913 17.314 23.146 121 1HE LYS 16 2HE LYS 16 26.253 18.427 25.131 122 2HE LYS 16 1HE LYS 16 25.336 17.214 26.055 123 1HZ LYS 16 3HZ LYS 16 28.130 16.678 25.286 124 2HZ LYS 16 2HZ LYS 16 27.763 17.634 26.615 125 3HZ LYS 16 1HZ LYS 16 27.190 16.070 26.568 126 H PHE 17 H PHE 17 22.830 14.211 20.220 127 HA PHE 17 HA PHE 17 22.932 11.594 21.313 128 1HB PHE 17 2HB PHE 17 21.434 10.923 19.811 129 2HB PHE 17 1HB PHE 17 21.060 12.621 20.186 130 HD1 PHE 17 HD1 PHE 17 23.206 10.675 17.683 131 HD2 PHE 17 HD2 PHE 17 20.288 13.755 18.278 132 HE1 PHE 17 HE1 PHE 17 23.097 11.105 15.316 133 HE2 PHE 17 HE2 PHE 17 20.213 14.176 15.800 134 HZ PHE 17 HZ PHE 17 21.653 12.839 14.326 135 H MET 18 H MET 18 24.761 13.367 18.989 136 HA MET 18 HA MET 18 26.122 11.222 17.563 137 1HB MET 18 2HB MET 18 26.175 14.198 17.632 138 2HB MET 18 1HB MET 18 27.676 13.295 17.140 139 1HG MET 18 2HG MET 18 26.230 11.967 15.586 140 2HG MET 18 1HG MET 18 24.825 12.891 16.084 141 1HE MET 18 1HE MET 18 27.293 12.165 13.843 142 2HE MET 18 3HE MET 18 25.759 12.472 12.998 143 3HE MET 18 2HE MET 18 27.212 13.375 12.500 144 H GLU 19 H GLU 19 26.933 13.866 19.742 145 HA GLU 19 HA GLU 19 29.530 13.515 20.326 146 1HB GLU 19 2HB GLU 19 27.578 15.077 21.395 147 2HB GLU 19 1HB GLU 19 27.612 13.854 22.623 148 1HG GLU 19 2HG GLU 19 29.042 15.807 23.207 149 2HG GLU 19 1HG GLU 19 29.795 14.187 23.305 150 H LYS 20 H LYS 20 26.809 12.024 22.097 151 HA LYS 20 HA LYS 20 28.386 10.988 24.136 152 1HB LYS 20 2HB LYS 20 25.630 10.090 23.428 153 2HB LYS 20 1HB LYS 20 26.563 9.793 24.911 154 1HG LYS 20 2HG LYS 20 25.896 12.596 23.972 155 2HG LYS 20 1HG LYS 20 25.077 11.635 25.295 156 1HD LYS 20 2HD LYS 20 27.703 11.385 25.915 157 2HD LYS 20 1HD LYS 20 27.733 12.938 25.108 158 1HE LYS 20 2HE LYS 20 25.922 13.770 26.624 159 2HE LYS 20 1HE LYS 20 26.114 12.217 27.580 160 1HZ LYS 20 1HZ LYS 20 28.452 12.892 27.840 161 2HZ LYS 20 3HZ LYS 20 28.111 14.345 27.044 162 3HZ LYS 20 2HZ LYS 20 27.351 13.985 28.500 163 H MET 21 H MET 21 27.887 9.610 20.898 164 HA MET 21 HA MET 21 28.514 6.876 21.787 165 1HB MET 21 2HB MET 21 28.814 6.790 19.102 166 2HB MET 21 1HB MET 21 27.453 6.235 20.170 167 1HG MET 21 2HG MET 21 26.417 8.564 19.843 168 2HG MET 21 1HG MET 21 27.831 8.928 18.800 169 1HE MET 21 3HE MET 21 27.586 5.584 18.224 170 2HE MET 21 2HE MET 21 26.169 5.269 17.235 171 3HE MET 21 1HE MET 21 27.628 6.062 16.498 172 H GLY 22 H GLY 22 30.307 9.631 21.380 173 1HA GLY 22 1HA GLY 22 32.747 9.508 21.757 174 2HA GLY 22 2HA GLY 22 32.857 8.274 20.529 175 H ILE 23 H ILE 23 30.550 10.592 19.489 176 HA ILE 23 HA ILE 23 32.090 11.426 17.277 177 HB ILE 23 HB ILE 23 29.616 12.437 18.602 178 1HG1 ILE 23 2HG1 ILE 23 28.506 11.563 16.875 179 2HG1 ILE 23 1HG1 ILE 23 29.807 11.884 15.686 180 1HG2 ILE 23 2HG2 ILE 23 30.944 14.491 17.763 181 2HG2 ILE 23 1HG2 ILE 23 30.883 13.758 16.127 182 3HG2 ILE 23 3HG2 ILE 23 29.380 14.235 16.919 183 1HD1 ILE 23 3HD1 ILE 23 29.991 9.689 17.871 184 2HD1 ILE 23 2HD1 ILE 23 29.434 9.412 16.213 185 3HD1 ILE 23 1HD1 ILE 23 31.084 9.991 16.490 186 H ASN 24 H ASN 24 34.073 12.520 17.386 187 HA ASN 24 HA ASN 24 34.684 14.085 19.742 188 1HB ASN 24 2HB ASN 24 36.397 13.580 17.478 189 2HB ASN 24 1HB ASN 24 36.769 14.588 18.886 190 1HD2 ASN 24 1HD2 ASN 24 37.253 11.999 21.177 191 2HD2 ASN 24 2HD2 ASN 24 37.247 13.724 20.880 192 H VAL 25 H VAL 25 35.873 16.244 19.351 193 HA VAL 25 HA VAL 25 33.785 18.050 18.552 194 HB VAL 25 HB VAL 25 34.659 19.827 19.164 195 1HG1 VAL 25 3HG1 VAL 25 34.260 17.449 20.798 196 2HG1 VAL 25 2HG1 VAL 25 35.422 18.550 21.565 197 3HG1 VAL 25 1HG1 VAL 25 33.825 19.146 21.069 198 1HG2 VAL 25 1HG2 VAL 25 37.263 18.747 18.662 199 2HG2 VAL 25 3HG2 VAL 25 37.048 20.121 19.731 200 3HG2 VAL 25 2HG2 VAL 25 37.162 18.468 20.386 201 H VAL 26 H VAL 26 36.393 16.827 16.636 202 HA VAL 26 HA VAL 26 36.884 18.962 14.830 203 HB VAL 26 HB VAL 26 37.371 17.246 13.138 204 1HG1 VAL 26 3HG1 VAL 26 38.914 18.534 15.007 205 2HG1 VAL 26 2HG1 VAL 26 39.160 16.867 15.542 206 3HG1 VAL 26 1HG1 VAL 26 39.588 17.369 13.895 207 1HG2 VAL 26 2HG2 VAL 26 36.110 15.518 14.899 208 2HG2 VAL 26 1HG2 VAL 26 37.512 14.980 13.930 209 3HG2 VAL 26 3HG2 VAL 26 37.739 15.433 15.607 210 H LYS 27 H LYS 27 34.243 16.860 15.329 211 HA LYS 27 HA LYS 27 32.853 17.259 12.777 212 1HB LYS 27 2HB LYS 27 32.910 15.370 14.773 213 2HB LYS 27 1HB LYS 27 31.334 16.180 14.982 214 1HG LYS 27 2HG LYS 27 30.619 14.842 13.252 215 2HG LYS 27 1HG LYS 27 31.469 15.840 12.207 216 1HD LYS 27 2HD LYS 27 32.093 13.054 13.076 217 2HD LYS 27 1HD LYS 27 32.369 13.816 11.526 218 1HE LYS 27 2HE LYS 27 34.368 15.090 12.628 219 2HE LYS 27 1HE LYS 27 34.167 13.994 14.003 220 1HZ LYS 27 2HZ LYS 27 34.738 13.179 11.239 221 2HZ LYS 27 1HZ LYS 27 35.891 13.441 12.454 222 3HZ LYS 27 3HZ LYS 27 34.748 12.198 12.631 223 H ARG 28 H ARG 28 33.007 18.631 16.003 224 HA ARG 28 HA ARG 28 30.641 19.982 16.272 225 1HB ARG 28 2HB ARG 28 32.322 19.876 17.999 226 2HB ARG 28 1HB ARG 28 33.252 21.141 17.086 227 1HG ARG 28 2HG ARG 28 31.321 22.674 17.385 228 2HG ARG 28 1HG ARG 28 30.377 21.408 18.098 229 1HD ARG 28 2HD ARG 28 32.952 21.765 19.558 230 2HD ARG 28 1HD ARG 28 32.095 23.215 19.433 231 HE ARG 28 HE ARG 28 31.225 20.835 20.951 232 1HH1 ARG 28 2HH1 ARG 28 30.619 24.193 20.116 233 2HH1 ARG 28 1HH1 ARG 28 29.475 24.479 21.413 234 1HH2 ARG 28 1HH2 ARG 28 29.759 21.208 22.644 235 2HH2 ARG 28 2HH2 ARG 28 29.053 22.791 22.788 236 H LYS 29 H LYS 29 33.332 20.602 14.197 237 HA LYS 29 HA LYS 29 33.052 23.445 13.680 238 1HB LYS 29 2HB LYS 29 34.010 21.506 11.633 239 2HB LYS 29 1HB LYS 29 34.425 23.239 11.986 240 1HG LYS 29 2HG LYS 29 35.144 20.823 13.718 241 2HG LYS 29 1HG LYS 29 36.244 21.650 12.645 242 1HD LYS 29 2HD LYS 29 34.831 22.864 15.104 243 2HD LYS 29 1HD LYS 29 36.389 22.139 15.099 244 1HE LYS 29 2HE LYS 29 37.146 23.834 13.288 245 2HE LYS 29 1HE LYS 29 35.616 24.733 13.629 246 1HZ LYS 29 1HZ LYS 29 36.395 24.834 15.927 247 2HZ LYS 29 3HZ LYS 29 37.816 24.099 15.482 248 3HZ LYS 29 2HZ LYS 29 37.437 25.608 14.817 249 H LEU 30 H LEU 30 32.011 20.691 11.614 250 HA LEU 30 HA LEU 30 29.703 22.454 10.773 251 1HB LEU 30 2HB LEU 30 31.360 20.587 9.135 252 2HB LEU 30 1HB LEU 30 29.670 20.833 8.720 253 HG LEU 30 HG LEU 30 31.328 23.250 9.280 254 1HD1 LEU 30 2HD1 LEU 30 32.434 21.364 7.715 255 2HD1 LEU 30 1HD1 LEU 30 31.419 22.114 6.434 256 3HD1 LEU 30 3HD1 LEU 30 32.636 23.059 7.318 257 1HD2 LEU 30 1HD2 LEU 30 28.867 22.615 7.604 258 2HD2 LEU 30 3HD2 LEU 30 29.225 24.046 8.557 259 3HD2 LEU 30 2HD2 LEU 30 29.943 23.826 6.929 260 H GLY 31 H GLY 31 29.753 20.883 13.131 261 1HA GLY 31 1HA GLY 31 28.703 18.272 12.869 262 2HA GLY 31 2HA GLY 31 28.638 19.323 14.293 263 H ALA 32 H ALA 32 26.741 20.328 14.801 264 HA ALA 32 HA ALA 32 24.346 19.371 13.557 265 1HB ALA 32 3HB ALA 32 24.925 21.518 15.599 266 2HB ALA 32 2HB ALA 32 23.305 21.304 14.874 267 3HB ALA 32 1HB ALA 32 24.090 19.943 15.790 268 H HIS 33 H HIS 33 26.523 21.734 12.283 269 HA HIS 33 HA HIS 33 24.452 23.501 11.173 270 1HB HIS 33 2HB HIS 33 27.086 23.807 11.899 271 2HB HIS 33 1HB HIS 33 27.312 23.336 10.184 272 HD1 HIS 33 HD1 HIS 33 27.424 25.228 8.569 273 HD2 HIS 33 HD2 HIS 33 25.089 26.038 12.025 274 HE1 HIS 33 HE1 HIS 33 26.593 27.585 8.425 275 HE2 HIS 33 HE2 HIS 33 25.185 28.116 10.484 276 H ASP 34 H ASP 34 24.281 20.582 10.441 277 HA ASP 34 HA ASP 34 24.984 20.689 7.545 278 1HB ASP 34 2HB ASP 34 24.818 18.323 7.622 279 2HB ASP 34 1HB ASP 34 26.247 19.126 8.292 280 H ASN 35 H ASN 35 23.651 19.968 6.050 281 HA ASN 35 HA ASN 35 20.703 19.767 6.578 282 1HB ASN 35 2HB ASN 35 22.199 21.513 5.100 283 2HB ASN 35 1HB ASN 35 21.971 20.277 3.855 284 1HD2 ASN 35 1HD2 ASN 35 19.186 22.792 3.521 285 2HD2 ASN 35 2HD2 ASN 35 20.906 22.922 3.588 286 H LEU 36 H LEU 36 20.498 17.345 6.708 287 HA LEU 36 HA LEU 36 21.997 15.949 4.538 288 1HB LEU 36 2HB LEU 36 22.601 15.360 6.622 289 2HB LEU 36 1HB LEU 36 20.976 15.102 7.218 290 HG LEU 36 HG LEU 36 21.888 13.596 4.805 291 1HD1 LEU 36 2HD1 LEU 36 23.612 13.675 7.113 292 2HD1 LEU 36 1HD1 LEU 36 22.834 12.094 7.111 293 3HD1 LEU 36 3HD1 LEU 36 23.746 12.633 5.660 294 1HD2 LEU 36 1HD2 LEU 36 20.212 13.300 7.347 295 2HD2 LEU 36 3HD2 LEU 36 19.724 12.770 5.722 296 3HD2 LEU 36 2HD2 LEU 36 20.828 11.754 6.665 297 H LYS 37 H LYS 37 20.449 15.937 2.837 298 HA LYS 37 HA LYS 37 17.673 15.688 3.303 299 1HB LYS 37 2HB LYS 37 19.001 16.131 0.999 300 2HB LYS 37 1HB LYS 37 18.934 14.381 0.918 301 1HG LYS 37 2HG LYS 37 16.342 14.692 1.114 302 2HG LYS 37 1HG LYS 37 16.745 16.483 1.024 303 1HD LYS 37 2HD LYS 37 17.118 14.282 -0.949 304 2HD LYS 37 1HD LYS 37 16.055 15.707 -1.060 305 1HE LYS 37 2HE LYS 37 18.275 17.139 -0.880 306 2HE LYS 37 1HE LYS 37 19.163 15.660 -1.286 307 1HZ LYS 37 1HZ LYS 37 17.216 15.883 -3.209 308 2HZ LYS 37 3HZ LYS 37 17.704 17.453 -2.959 309 3HZ LYS 37 2HZ LYS 37 18.868 16.277 -3.305 310 H LEU 38 H LEU 38 17.340 13.924 4.997 311 HA LEU 38 HA LEU 38 18.553 11.431 5.051 312 1HB LEU 38 2HB LEU 38 16.144 12.446 6.249 313 2HB LEU 38 1HB LEU 38 15.521 11.476 5.025 314 HG LEU 38 HG LEU 38 15.866 10.691 7.456 315 1HD1 LEU 38 2HD1 LEU 38 14.520 9.641 5.710 316 2HD1 LEU 38 1HD1 LEU 38 15.995 8.940 4.996 317 3HD1 LEU 38 3HD1 LEU 38 15.437 8.441 6.623 318 1HD2 LEU 38 3HD2 LEU 38 18.337 9.617 5.806 319 2HD2 LEU 38 2HD2 LEU 38 18.411 10.429 7.406 320 3HD2 LEU 38 1HD2 LEU 38 17.734 8.802 7.287 321 H THR 39 H THR 39 15.848 12.837 3.376 322 HA THR 39 HA THR 39 14.713 12.579 1.592 323 HB THR 39 HB THR 39 16.873 10.808 0.298 324 HG1 THR 39 1HG THR 39 17.923 12.856 -0.037 325 1HG2 THR 39 2HG2 THR 39 14.746 11.725 -1.044 326 2HG2 THR 39 1HG2 THR 39 15.520 13.324 -0.975 327 3HG2 THR 39 3HG2 THR 39 16.290 12.015 -1.812 328 H ILE 40 H ILE 40 13.132 10.802 0.698 329 HA ILE 40 HA ILE 40 13.972 8.025 1.421 330 HB ILE 40 HB ILE 40 11.437 9.209 2.540 331 1HG1 ILE 40 2HG1 ILE 40 13.948 7.997 3.873 332 2HG1 ILE 40 1HG1 ILE 40 13.653 9.703 3.748 333 1HG2 ILE 40 1HG2 ILE 40 11.333 6.724 1.681 334 2HG2 ILE 40 3HG2 ILE 40 12.309 6.418 3.110 335 3HG2 ILE 40 2HG2 ILE 40 10.737 7.168 3.296 336 1HD1 ILE 40 2HD1 ILE 40 11.392 8.147 4.918 337 2HD1 ILE 40 1HD1 ILE 40 12.769 8.361 5.985 338 3HD1 ILE 40 3HD1 ILE 40 11.953 9.791 5.354 339 H THR 41 H THR 41 13.725 6.858 -0.225 340 HA THR 41 HA THR 41 11.238 7.151 -1.931 341 HB THR 41 HB THR 41 13.497 5.625 -3.040 342 HG1 THR 41 1HG THR 41 13.259 8.428 -3.140 343 1HG2 THR 41 2HG2 THR 41 11.289 7.550 -4.024 344 2HG2 THR 41 1HG2 THR 41 12.402 6.721 -5.138 345 3HG2 THR 41 3HG2 THR 41 11.272 5.767 -4.217 346 H GLN 42 H GLN 42 10.034 5.777 -0.650 347 HA GLN 42 HA GLN 42 10.886 3.295 0.379 348 1HB GLN 42 2HB GLN 42 8.558 2.941 0.639 349 2HB GLN 42 1HB GLN 42 8.838 4.646 0.972 350 1HG GLN 42 2HG GLN 42 8.138 4.591 -1.783 351 2HG GLN 42 1HG GLN 42 7.136 3.361 -1.078 352 1HE2 GLN 42 2HE2 GLN 42 5.063 6.331 -0.959 353 2HE2 GLN 42 1HE2 GLN 42 5.659 5.128 -2.039 354 H GLU 43 H GLU 43 10.799 1.285 -0.380 355 HA GLU 43 HA GLU 43 9.925 0.712 -3.114 356 1HB GLU 43 2HB GLU 43 12.547 0.932 -2.201 357 2HB GLU 43 1HB GLU 43 12.228 -0.798 -2.550 358 1HG GLU 43 2HG GLU 43 11.248 0.886 -4.722 359 2HG GLU 43 1HG GLU 43 13.086 0.951 -4.445 360 H GLY 44 H GLY 44 10.648 -2.060 -2.836 361 1HA GLY 44 1HA GLY 44 8.535 -3.082 -1.206 362 2HA GLY 44 2HA GLY 44 9.879 -4.081 -1.860 363 H ASN 45 H ASN 45 8.716 -2.059 0.690 364 HA ASN 45 HA ASN 45 9.071 -1.857 2.889 365 1HB ASN 45 2HB ASN 45 11.145 -4.094 2.749 366 2HB ASN 45 1HB ASN 45 10.152 -3.592 4.122 367 1HD2 ASN 45 1HD2 ASN 45 7.261 -5.398 3.186 368 2HD2 ASN 45 2HD2 ASN 45 7.937 -4.170 4.252 369 H LYS 46 H LYS 46 12.334 -2.852 1.745 370 HA LYS 46 HA LYS 46 13.946 -1.058 2.997 371 1HB LYS 46 2HB LYS 46 15.320 -2.095 1.494 372 2HB LYS 46 1HB LYS 46 13.938 -2.335 0.375 373 1HG LYS 46 2HG LYS 46 15.626 0.210 0.495 374 2HG LYS 46 1HG LYS 46 15.929 -1.167 -0.533 375 1HD LYS 46 2HD LYS 46 13.316 -0.771 -1.090 376 2HD LYS 46 1HD LYS 46 13.899 0.904 -0.884 377 1HE LYS 46 2HE LYS 46 14.543 0.635 -3.171 378 2HE LYS 46 1HE LYS 46 15.962 0.119 -2.312 379 1HZ LYS 46 2HZ LYS 46 13.960 -1.881 -2.951 380 2HZ LYS 46 1HZ LYS 46 15.071 -1.392 -4.134 381 3HZ LYS 46 3HZ LYS 46 15.630 -2.057 -2.696 382 H PHE 47 H PHE 47 14.931 0.909 2.312 383 HA PHE 47 HA PHE 47 13.520 2.368 0.215 384 1HB PHE 47 2HB PHE 47 13.145 4.343 1.677 385 2HB PHE 47 1HB PHE 47 12.033 2.956 1.904 386 HD1 PHE 47 HD1 PHE 47 12.335 1.338 3.626 387 HD2 PHE 47 HD2 PHE 47 14.247 5.130 3.948 388 HE1 PHE 47 HE1 PHE 47 12.570 0.947 6.033 389 HE2 PHE 47 HE2 PHE 47 14.509 4.741 6.384 390 HZ PHE 47 HZ PHE 47 13.680 2.673 7.407 391 H THR 48 H THR 48 14.929 3.108 -0.949 392 HA THR 48 HA THR 48 17.653 3.491 -0.444 393 HB THR 48 HB THR 48 15.785 4.666 -2.534 394 HG1 THR 48 1HG THR 48 17.065 2.359 -2.233 395 1HG2 THR 48 2HG2 THR 48 18.654 5.277 -2.013 396 2HG2 THR 48 1HG2 THR 48 18.497 4.599 -3.622 397 3HG2 THR 48 3HG2 THR 48 17.598 6.082 -3.191 398 H VAL 49 H VAL 49 17.872 4.773 1.356 399 HA VAL 49 HA VAL 49 16.479 7.454 1.301 400 HB VAL 49 HB VAL 49 16.826 7.646 3.470 401 1HG1 VAL 49 3HG1 VAL 49 16.020 5.354 3.330 402 2HG1 VAL 49 2HG1 VAL 49 17.656 4.754 3.325 403 3HG1 VAL 49 1HG1 VAL 49 17.034 5.561 4.804 404 1HG2 VAL 49 1HG2 VAL 49 19.639 6.333 3.061 405 2HG2 VAL 49 3HG2 VAL 49 19.345 8.081 3.235 406 3HG2 VAL 49 2HG2 VAL 49 19.079 7.031 4.598 407 H LYS 50 H LYS 50 17.818 9.327 1.072 408 HA LYS 50 HA LYS 50 20.320 8.704 -0.392 409 1HB LYS 50 2HB LYS 50 18.831 11.234 0.233 410 2HB LYS 50 1HB LYS 50 20.579 11.372 -0.176 411 1HG LYS 50 2HG LYS 50 20.231 10.412 -2.333 412 2HG LYS 50 1HG LYS 50 18.457 10.138 -2.019 413 1HD LYS 50 2HD LYS 50 18.118 12.524 -1.909 414 2HD LYS 50 1HD LYS 50 19.881 12.803 -1.766 415 1HE LYS 50 2HE LYS 50 20.308 12.094 -3.999 416 2HE LYS 50 1HE LYS 50 18.718 11.318 -4.191 417 1HZ LYS 50 3HZ LYS 50 19.012 14.184 -3.576 418 2HZ LYS 50 2HZ LYS 50 19.043 13.590 -5.172 419 3HZ LYS 50 1HZ LYS 50 17.661 13.390 -4.224 420 H GLU 51 H GLU 51 20.332 11.542 1.706 421 HA GLU 51 HA GLU 51 21.183 11.691 3.824 422 1HB GLU 51 2HB GLU 51 21.612 9.082 3.943 423 2HB GLU 51 1HB GLU 51 23.073 9.401 3.053 424 1HG GLU 51 2HG GLU 51 23.919 10.781 4.885 425 2HG GLU 51 1HG GLU 51 22.330 10.691 5.709 426 H SER 52 H SER 52 21.790 13.458 2.082 427 HA SER 52 HA SER 52 24.754 13.352 1.621 428 1HB SER 52 2HB SER 52 22.845 15.293 0.270 429 2HB SER 52 1HB SER 52 24.442 14.671 -0.259 430 HG SER 52 HG SER 52 23.291 13.252 -1.280 431 H SER 53 H SER 53 25.522 14.407 3.411 432 HA SER 53 HA SER 53 23.990 16.729 4.475 433 1HB SER 53 2HB SER 53 25.551 16.492 6.459 434 2HB SER 53 1HB SER 53 24.405 15.206 6.096 435 HG SER 53 HG SER 53 25.916 13.946 5.296 436 H ASN 54 H ASN 54 25.520 17.434 2.029 437 HA ASN 54 HA ASN 54 27.158 18.991 1.414 438 1HB ASN 54 2HB ASN 54 25.996 20.057 3.438 439 2HB ASN 54 1HB ASN 54 27.460 19.714 4.355 440 1HD2 ASN 54 2HD2 ASN 54 28.558 22.946 3.155 441 2HD2 ASN 54 1HD2 ASN 54 28.117 22.066 4.576 442 H PHE 55 H PHE 55 27.852 16.278 2.861 443 HA PHE 55 HA PHE 55 30.543 16.207 2.125 444 1HB PHE 55 2HB PHE 55 31.819 16.200 4.077 445 2HB PHE 55 1HB PHE 55 30.890 17.718 4.098 446 HD1 PHE 55 HD1 PHE 55 28.426 15.401 5.034 447 HD2 PHE 55 HD2 PHE 55 32.060 17.170 6.475 448 HE1 PHE 55 HE1 PHE 55 27.750 14.967 7.386 449 HE2 PHE 55 HE2 PHE 55 31.337 16.729 8.818 450 HZ PHE 55 HZ PHE 55 29.203 15.632 9.229 451 H ARG 56 H ARG 56 27.860 14.440 3.089 452 HA ARG 56 HA ARG 56 29.587 12.047 3.509 453 1HB ARG 56 2HB ARG 56 27.998 13.053 5.473 454 2HB ARG 56 1HB ARG 56 26.721 12.320 4.475 455 1HG ARG 56 2HG ARG 56 27.412 10.728 6.197 456 2HG ARG 56 1HG ARG 56 27.949 10.076 4.655 457 1HD ARG 56 2HD ARG 56 30.234 10.494 5.156 458 2HD ARG 56 1HD ARG 56 29.813 11.825 6.250 459 HE ARG 56 HE ARG 56 28.712 9.354 7.265 460 1HH1 ARG 56 1HH2 ARG 56 31.782 11.157 6.823 461 2HH1 ARG 56 2HH2 ARG 56 32.474 10.369 8.220 462 1HH2 ARG 56 2HH1 ARG 56 29.868 8.428 9.095 463 2HH2 ARG 56 1HH1 ARG 56 31.494 8.888 9.482 464 H ASN 57 H ASN 57 28.313 13.604 1.383 465 HA ASN 57 HA ASN 57 26.047 12.945 0.214 466 1HB ASN 57 2HB ASN 57 27.930 14.325 -0.665 467 2HB ASN 57 1HB ASN 57 28.814 12.779 -1.103 468 1HD2 ASN 57 2HD2 ASN 57 26.973 14.187 -4.110 469 2HD2 ASN 57 1HD2 ASN 57 28.198 14.824 -3.072 470 H ILE 58 H ILE 58 25.040 11.041 0.257 471 HA ILE 58 HA ILE 58 26.161 8.834 -1.252 472 HB ILE 58 HB ILE 58 27.271 8.913 1.139 473 1HG1 ILE 58 2HG1 ILE 58 26.611 6.125 0.624 474 2HG1 ILE 58 1HG1 ILE 58 27.039 7.018 -0.873 475 1HG2 ILE 58 1HG2 ILE 58 25.209 8.730 2.461 476 2HG2 ILE 58 3HG2 ILE 58 24.738 7.217 1.625 477 3HG2 ILE 58 2HG2 ILE 58 26.164 7.269 2.644 478 1HD1 ILE 58 2HD1 ILE 58 29.113 7.971 0.390 479 2HD1 ILE 58 1HD1 ILE 58 28.726 6.804 1.660 480 3HD1 ILE 58 3HD1 ILE 58 29.193 6.243 0.064 481 H ASP 59 H ASP 59 24.843 6.905 -0.890 482 HA ASP 59 HA ASP 59 21.993 7.614 -0.236 483 1HB ASP 59 2HB ASP 59 21.505 5.725 -1.872 484 2HB ASP 59 1HB ASP 59 21.849 7.310 -2.485 485 H VAL 60 H VAL 60 20.864 5.680 0.832 486 HA VAL 60 HA VAL 60 22.727 3.467 1.526 487 HB VAL 60 HB VAL 60 21.026 5.031 3.464 488 1HG1 VAL 60 2HG1 VAL 60 21.679 2.410 3.718 489 2HG1 VAL 60 1HG1 VAL 60 23.203 3.047 4.286 490 3HG1 VAL 60 3HG1 VAL 60 21.728 3.468 5.131 491 1HG2 VAL 60 3HG2 VAL 60 24.097 4.841 3.080 492 2HG2 VAL 60 2HG2 VAL 60 23.157 6.311 2.804 493 3HG2 VAL 60 1HG2 VAL 60 23.361 5.680 4.472 494 H VAL 61 H VAL 61 21.411 1.860 0.462 495 HA VAL 61 HA VAL 61 18.500 2.036 0.629 496 HB VAL 61 HB VAL 61 20.265 -0.433 0.181 497 1HG1 VAL 61 2HG1 VAL 61 17.705 -0.684 0.605 498 2HG1 VAL 61 1HG1 VAL 61 17.506 0.015 -1.019 499 3HG1 VAL 61 3HG1 VAL 61 18.432 -1.465 -0.807 500 1HG2 VAL 61 1HG2 VAL 61 19.384 1.846 -1.749 501 2HG2 VAL 61 3HG2 VAL 61 21.017 1.289 -1.382 502 3HG2 VAL 61 2HG2 VAL 61 19.981 0.251 -2.331 503 H PHE 62 H PHE 62 17.099 1.051 2.281 504 HA PHE 62 HA PHE 62 18.747 0.280 4.663 505 1HB PHE 62 2HB PHE 62 16.087 1.480 4.181 506 2HB PHE 62 1HB PHE 62 16.342 0.539 5.670 507 HD1 PHE 62 HD1 PHE 62 19.208 2.457 4.329 508 HD2 PHE 62 HD2 PHE 62 15.839 2.479 6.940 509 HE1 PHE 62 HE1 PHE 62 20.132 4.432 5.521 510 HE2 PHE 62 HE2 PHE 62 16.674 4.400 8.134 511 HZ PHE 62 HZ PHE 62 18.880 5.434 7.447 512 H GLU 63 H GLU 63 15.810 -0.828 2.832 513 HA GLU 63 HA GLU 63 14.604 -2.883 3.141 514 1HB GLU 63 2HB GLU 63 17.424 -3.682 3.064 515 2HB GLU 63 1HB GLU 63 16.482 -4.731 4.214 516 1HG GLU 63 2HG GLU 63 14.924 -4.424 1.791 517 2HG GLU 63 1HG GLU 63 16.505 -4.728 1.243 518 H LEU 64 H LEU 64 14.709 -0.750 4.934 519 HA LEU 64 HA LEU 64 14.037 -0.252 7.043 520 1HB LEU 64 2HB LEU 64 13.513 -3.265 7.383 521 2HB LEU 64 1HB LEU 64 12.975 -1.890 8.397 522 HG LEU 64 HG LEU 64 11.327 -3.016 6.877 523 1HD1 LEU 64 3HD1 LEU 64 11.816 -0.227 7.730 524 2HD1 LEU 64 2HD1 LEU 64 10.593 -0.274 6.436 525 3HD1 LEU 64 1HD1 LEU 64 10.338 -1.178 7.910 526 1HD2 LEU 64 2HD2 LEU 64 12.553 -2.775 4.634 527 2HD2 LEU 64 1HD2 LEU 64 10.986 -1.925 4.648 528 3HD2 LEU 64 3HD2 LEU 64 12.488 -1.000 4.780 529 H GLY 65 H GLY 65 14.698 -3.091 8.883 530 1HA GLY 65 1HA GLY 65 17.241 -1.911 9.828 531 2HA GLY 65 2HA GLY 65 16.141 -2.885 10.674 532 H VAL 66 H VAL 66 19.104 -3.128 9.890 533 HA VAL 66 HA VAL 66 19.189 -6.049 9.440 534 HB VAL 66 HB VAL 66 20.801 -5.564 7.499 535 1HG1 VAL 66 2HG1 VAL 66 18.276 -6.487 7.626 536 2HG1 VAL 66 1HG1 VAL 66 17.935 -5.047 6.662 537 3HG1 VAL 66 3HG1 VAL 66 19.089 -6.276 6.058 538 1HG2 VAL 66 1HG2 VAL 66 19.924 -2.836 7.893 539 2HG2 VAL 66 3HG2 VAL 66 20.920 -3.427 6.592 540 3HG2 VAL 66 2HG2 VAL 66 19.155 -3.394 6.424 541 H ASP 67 H ASP 67 20.191 -5.793 11.481 542 HA ASP 67 HA ASP 67 21.885 -4.467 12.822 543 1HB ASP 67 2HB ASP 67 22.697 -7.195 12.271 544 2HB ASP 67 1HB ASP 67 23.070 -6.166 13.647 545 H PHE 68 H PHE 68 22.544 -2.812 11.347 546 HA PHE 68 HA PHE 68 24.573 -3.092 9.417 547 1HB PHE 68 2HB PHE 68 23.714 -0.769 11.087 548 2HB PHE 68 1HB PHE 68 25.033 -0.599 9.931 549 HD1 PHE 68 HD2 PHE 68 24.522 -1.467 7.438 550 HD2 PHE 68 HD1 PHE 68 21.427 -0.482 10.303 551 HE1 PHE 68 HE2 PHE 68 22.842 -1.184 5.671 552 HE2 PHE 68 HE1 PHE 68 19.797 -0.213 8.508 553 HZ PHE 68 HZ PHE 68 20.528 -0.572 6.149 554 H ALA 69 H ALA 69 25.020 -1.491 12.536 555 HA ALA 69 HA ALA 69 26.649 -1.562 14.085 556 1HB ALA 69 1HB ALA 69 26.775 -4.087 13.323 557 2HB ALA 69 3HB ALA 69 28.312 -3.590 12.521 558 3HB ALA 69 2HB ALA 69 28.114 -3.380 14.282 559 H TYR 70 H TYR 70 26.374 0.191 12.104 560 HA TYR 70 HA TYR 70 29.181 0.846 11.369 561 1HB TYR 70 2HB TYR 70 27.996 0.693 9.216 562 2HB TYR 70 1HB TYR 70 26.500 1.364 9.929 563 HD1 TYR 70 HD1 TYR 70 29.945 2.868 10.252 564 HD2 TYR 70 HD2 TYR 70 26.044 3.202 8.424 565 HE1 TYR 70 HE1 TYR 70 30.486 5.118 9.415 566 HE2 TYR 70 HE2 TYR 70 26.666 5.451 7.624 567 HH TYR 70 HH TYR 70 28.302 7.100 7.494 568 H SER 71 H SER 71 29.896 2.565 12.404 569 HA SER 71 HA SER 71 28.426 4.009 14.346 570 1HB SER 71 2HB SER 71 30.203 5.166 14.712 571 2HB SER 71 1HB SER 71 31.005 4.106 13.556 572 HG SER 71 HG SER 71 30.471 5.719 11.969 573 H LEU 72 H LEU 72 26.930 5.253 14.308 574 HA LEU 72 HA LEU 72 25.247 6.073 12.393 575 1HB LEU 72 2HB LEU 72 24.673 6.497 14.604 576 2HB LEU 72 1HB LEU 72 26.195 7.245 15.045 577 HG LEU 72 HG LEU 72 24.207 8.752 15.006 578 1HD1 LEU 72 3HD1 LEU 72 26.673 9.571 14.276 579 2HD1 LEU 72 2HD1 LEU 72 25.789 9.923 12.746 580 3HD1 LEU 72 1HD1 LEU 72 25.275 10.646 14.251 581 1HD2 LEU 72 2HD2 LEU 72 23.515 7.356 12.694 582 2HD2 LEU 72 1HD2 LEU 72 22.752 8.872 13.127 583 3HD2 LEU 72 3HD2 LEU 72 24.095 8.844 11.966 584 H ALA 73 H ALA 73 28.196 7.793 13.442 585 HA ALA 73 HA ALA 73 28.862 8.790 10.891 586 1HB ALA 73 3HB ALA 73 26.952 10.124 10.829 587 2HB ALA 73 2HB ALA 73 27.468 10.909 12.379 588 3HB ALA 73 1HB ALA 73 28.434 11.092 10.882 589 H ASP 74 H ASP 74 30.814 8.059 11.708 590 HA ASP 74 HA ASP 74 32.960 8.391 12.239 591 1HB ASP 74 2HB ASP 74 32.111 11.032 12.702 592 2HB ASP 74 1HB ASP 74 33.686 10.511 13.377 593 H GLY 75 H GLY 75 30.581 7.950 14.604 594 1HA GLY 75 1HA GLY 75 32.225 8.328 17.022 595 2HA GLY 75 2HA GLY 75 30.580 7.697 16.891 596 H THR 76 H THR 76 30.255 5.513 16.788 597 HA THR 76 HA THR 76 32.672 3.816 16.370 598 HB THR 76 HB THR 76 31.920 4.482 18.940 599 HG1 THR 76 1HG THR 76 33.861 3.697 18.650 600 1HG2 THR 76 1HG2 THR 76 30.024 2.735 18.615 601 2HG2 THR 76 3HG2 THR 76 31.290 1.479 18.415 602 3HG2 THR 76 2HG2 THR 76 31.207 2.355 19.919 603 H GLU 77 H GLU 77 29.034 3.906 16.879 604 HA GLU 77 HA GLU 77 28.911 1.936 14.728 605 1HB GLU 77 2HB GLU 77 29.072 1.029 17.532 606 2HB GLU 77 1HB GLU 77 27.584 0.514 16.875 607 1HG GLU 77 2HG GLU 77 28.604 -1.246 15.946 608 2HG GLU 77 1HG GLU 77 29.147 -0.108 14.702 609 H LEU 78 H LEU 78 26.607 0.595 15.300 610 HA LEU 78 HA LEU 78 24.395 1.613 16.374 611 1HB LEU 78 2HB LEU 78 25.146 3.241 14.015 612 2HB LEU 78 1HB LEU 78 23.599 2.453 13.676 613 HG LEU 78 HG LEU 78 24.305 4.408 15.885 614 1HD1 LEU 78 2HD1 LEU 78 23.759 5.168 13.614 615 2HD1 LEU 78 1HD1 LEU 78 22.149 4.418 13.688 616 3HD1 LEU 78 3HD1 LEU 78 22.519 5.719 14.789 617 1HD2 LEU 78 2HD2 LEU 78 21.750 2.721 15.343 618 2HD2 LEU 78 1HD2 LEU 78 22.578 2.757 16.943 619 3HD2 LEU 78 3HD2 LEU 78 21.709 4.169 16.355 620 H THR 79 H THR 79 24.903 -0.593 16.361 621 HA THR 79 HA THR 79 24.168 -2.330 14.068 622 HB THR 79 HB THR 79 26.030 -3.094 15.314 623 HG1 THR 79 1HG THR 79 23.833 -4.736 15.855 624 1HG2 THR 79 1HG2 THR 79 25.009 -2.198 17.697 625 2HG2 THR 79 3HG2 THR 79 24.629 -3.918 17.788 626 3HG2 THR 79 2HG2 THR 79 26.298 -3.412 17.524 627 H GLY 80 H GLY 80 22.019 -1.742 13.907 628 1HA GLY 80 1HA GLY 80 20.302 -3.332 15.755 629 2HA GLY 80 2HA GLY 80 20.011 -1.579 15.693 630 H THR 81 H THR 81 17.998 -2.126 14.847 631 HA THR 81 HA THR 81 18.070 -2.357 11.866 632 HB THR 81 HB THR 81 17.178 -4.440 11.848 633 HG1 THR 81 1HG THR 81 15.065 -4.298 13.478 634 1HG2 THR 81 1HG2 THR 81 18.445 -4.733 13.965 635 2HG2 THR 81 3HG2 THR 81 16.945 -4.418 14.890 636 3HG2 THR 81 2HG2 THR 81 17.076 -5.822 13.832 637 H TRP 82 H TRP 82 17.525 -0.476 11.604 638 HA TRP 82 HA TRP 82 15.363 0.958 12.899 639 1HB TRP 82 2HB TRP 82 15.611 1.677 9.990 640 2HB TRP 82 1HB TRP 82 15.577 2.694 11.410 641 HD1 TRP 82 HD1 TRP 82 18.851 0.432 10.785 642 HE1 TRP 82 HE1 TRP 82 20.684 2.094 10.317 643 HE3 TRP 82 HE3 TRP 82 16.163 4.763 10.549 644 HZ2 TRP 82 HZ2 TRP 82 21.091 4.850 9.885 645 HZ3 TRP 82 HZ3 TRP 82 17.244 6.847 10.113 646 HH2 TRP 82 HH2 TRP 82 19.794 6.882 9.778 647 H THR 83 H THR 83 13.146 0.257 12.583 648 HA THR 83 HA THR 83 12.521 -0.625 9.809 649 HB THR 83 HB THR 83 11.126 -2.247 11.781 650 HG1 THR 83 1HG THR 83 12.849 -2.480 12.979 651 1HG2 THR 83 3HG2 THR 83 11.329 -2.901 9.266 652 2HG2 THR 83 2HG2 THR 83 13.010 -3.363 9.617 653 3HG2 THR 83 1HG2 THR 83 11.731 -4.183 10.466 654 H MET 84 H MET 84 11.184 0.928 9.348 655 HA MET 84 HA MET 84 9.451 2.047 11.334 656 1HB MET 84 2HB MET 84 8.764 3.341 9.345 657 2HB MET 84 1HB MET 84 10.333 2.806 8.889 658 1HG MET 84 2HG MET 84 9.600 1.140 7.394 659 2HG MET 84 1HG MET 84 8.111 1.002 8.212 660 1HE MET 84 3HE MET 84 10.285 3.592 6.445 661 2HE MET 84 2HE MET 84 9.697 2.834 4.928 662 3HE MET 84 1HE MET 84 9.238 4.534 5.333 663 H GLU 85 H GLU 85 6.909 2.006 10.588 664 HA GLU 85 HA GLU 85 6.162 -0.893 10.220 665 1HB GLU 85 2HB GLU 85 6.134 0.474 12.646 666 2HB GLU 85 1HB GLU 85 4.573 0.938 11.925 667 1HG GLU 85 2HG GLU 85 5.089 -1.997 11.617 668 2HG GLU 85 1HG GLU 85 5.396 -1.577 13.215 669 H GLY 86 H GLY 86 6.151 2.147 8.871 670 1HA GLY 86 1HA GLY 86 4.801 2.716 7.066 671 2HA GLY 86 2HA GLY 86 3.393 1.776 7.859 672 H ASN 87 H ASN 87 3.524 2.529 10.441 673 HA ASN 87 HA ASN 87 2.586 5.205 10.353 674 1HB ASN 87 2HB ASN 87 2.344 5.216 12.650 675 2HB ASN 87 1HB ASN 87 1.238 4.351 11.433 676 1HD2 ASN 87 1HD2 ASN 87 1.853 1.110 12.442 677 2HD2 ASN 87 2HD2 ASN 87 1.148 2.220 11.339 678 H LYS 88 H LYS 88 5.665 3.750 11.610 679 HA LYS 88 HA LYS 88 7.031 6.329 11.264 680 1HB LYS 88 2HB LYS 88 8.048 6.219 13.468 681 2HB LYS 88 1HB LYS 88 6.434 6.646 13.677 682 1HG LYS 88 2HG LYS 88 6.246 3.908 13.960 683 2HG LYS 88 1HG LYS 88 7.909 4.215 14.611 684 1HD LYS 88 2HD LYS 88 6.574 4.686 16.515 685 2HD LYS 88 1HD LYS 88 6.696 6.253 15.748 686 1HE LYS 88 2HE LYS 88 4.438 6.338 15.447 687 2HE LYS 88 1HE LYS 88 4.508 4.910 14.436 688 1HZ LYS 88 3HZ LYS 88 4.532 3.688 16.715 689 2HZ LYS 88 2HZ LYS 88 3.815 5.153 17.246 690 3HZ LYS 88 1HZ LYS 88 3.129 4.229 16.009 691 H LEU 89 H LEU 89 8.995 6.148 11.026 692 HA LEU 89 HA LEU 89 10.351 3.554 10.590 693 1HB LEU 89 2HB LEU 89 10.834 6.466 10.318 694 2HB LEU 89 1HB LEU 89 11.986 5.768 11.366 695 HG LEU 89 HG LEU 89 11.498 5.409 8.433 696 1HD1 LEU 89 1HD1 LEU 89 14.059 5.918 10.019 697 2HD1 LEU 89 3HD1 LEU 89 14.060 5.431 8.337 698 3HD1 LEU 89 2HD1 LEU 89 13.213 6.935 8.845 699 1HD2 LEU 89 1HD2 LEU 89 12.182 3.090 10.242 700 2HD2 LEU 89 3HD2 LEU 89 12.163 3.079 8.461 701 3HD2 LEU 89 2HD2 LEU 89 13.636 3.533 9.390 702 H VAL 90 H VAL 90 12.661 3.848 11.951 703 HA VAL 90 HA VAL 90 11.989 4.220 14.783 704 HB VAL 90 HB VAL 90 13.287 1.591 14.066 705 1HG1 VAL 90 2HG1 VAL 90 12.752 2.913 16.494 706 2HG1 VAL 90 1HG1 VAL 90 11.413 1.773 16.357 707 3HG1 VAL 90 3HG1 VAL 90 13.097 1.176 16.301 708 1HG2 VAL 90 3HG2 VAL 90 10.915 1.805 12.970 709 2HG2 VAL 90 2HG2 VAL 90 10.948 0.515 14.197 710 3HG2 VAL 90 1HG2 VAL 90 10.214 2.094 14.573 711 H GLY 91 H GLY 91 14.523 4.036 12.312 712 1HA GLY 91 1HA GLY 91 16.741 4.862 12.630 713 2HA GLY 91 2HA GLY 91 16.201 5.220 14.272 714 H LYS 92 H LYS 92 15.741 3.164 15.464 715 HA LYS 92 HA LYS 92 16.730 1.707 16.821 716 1HB LYS 92 2HB LYS 92 16.861 0.315 14.188 717 2HB LYS 92 1HB LYS 92 17.484 -0.498 15.679 718 1HG LYS 92 2HG LYS 92 14.659 0.566 15.208 719 2HG LYS 92 1HG LYS 92 15.102 -1.062 15.610 720 1HD LYS 92 2HD LYS 92 16.200 0.091 17.705 721 2HD LYS 92 1HD LYS 92 14.750 1.152 17.469 722 1HE LYS 92 2HE LYS 92 13.861 -0.609 18.756 723 2HE LYS 92 1HE LYS 92 13.614 -1.304 17.101 724 1HZ LYS 92 2HZ LYS 92 16.103 -1.767 18.533 725 2HZ LYS 92 1HZ LYS 92 14.697 -2.716 18.791 726 3HZ LYS 92 3HZ LYS 92 15.381 -2.648 17.274 727 H PHE 93 H PHE 93 18.529 0.191 17.093 728 HA PHE 93 HA PHE 93 21.196 1.286 16.458 729 1HB PHE 93 2HB PHE 93 21.155 2.561 18.685 730 2HB PHE 93 1HB PHE 93 19.963 3.140 17.616 731 HD1 PHE 93 HD1 PHE 93 20.388 0.638 20.376 732 HD2 PHE 93 HD2 PHE 93 17.613 2.797 18.092 733 HE1 PHE 93 HE1 PHE 93 18.662 -0.331 21.809 734 HE2 PHE 93 HE2 PHE 93 15.767 1.814 19.580 735 HZ PHE 93 HZ PHE 93 16.300 0.275 21.400 736 H LYS 94 H LYS 94 22.289 1.396 18.607 737 HA LYS 94 HA LYS 94 22.388 0.822 20.862 738 1HB LYS 94 2HB LYS 94 22.074 -1.986 19.635 739 2HB LYS 94 1HB LYS 94 23.265 -1.726 21.063 740 1HG LYS 94 2HG LYS 94 21.228 -0.258 21.951 741 2HG LYS 94 1HG LYS 94 20.318 -1.174 20.860 742 1HD LYS 94 2HD LYS 94 21.931 -3.035 22.373 743 2HD LYS 94 1HD LYS 94 21.280 -1.910 23.512 744 1HE LYS 94 2HE LYS 94 19.030 -2.480 23.109 745 2HE LYS 94 1HE LYS 94 19.370 -3.104 21.452 746 1HZ LYS 94 1HZ LYS 94 20.854 -4.477 23.479 747 2HZ LYS 94 3HZ LYS 94 19.214 -4.590 23.729 748 3HZ LYS 94 2HZ LYS 94 19.864 -5.014 22.221 749 H ARG 95 H ARG 95 23.707 2.175 19.520 750 HA ARG 95 HA ARG 95 25.849 1.111 18.014 751 1HB ARG 95 2HB ARG 95 26.790 3.388 17.989 752 2HB ARG 95 1HB ARG 95 25.075 3.293 17.631 753 1HG ARG 95 2HG ARG 95 25.627 3.903 20.528 754 2HG ARG 95 1HG ARG 95 26.038 5.168 19.436 755 1HD ARG 95 2HD ARG 95 23.478 4.010 18.560 756 2HD ARG 95 1HD ARG 95 23.537 3.882 20.237 757 HE ARG 95 HE ARG 95 22.643 6.119 19.068 758 1HH1 ARG 95 1HH1 ARG 95 25.797 6.054 21.026 759 2HH1 ARG 95 2HH1 ARG 95 25.565 7.732 21.313 760 1HH2 ARG 95 1HH2 ARG 95 22.683 8.433 19.780 761 2HH2 ARG 95 2HH2 ARG 95 24.047 8.885 20.710 762 H VAL 96 H VAL 96 26.922 -0.365 19.071 763 HA VAL 96 HA VAL 96 28.058 -1.167 21.102 764 HB VAL 96 HB VAL 96 29.904 0.180 19.150 765 1HG1 VAL 96 3HG1 VAL 96 30.424 -1.437 21.398 766 2HG1 VAL 96 2HG1 VAL 96 30.561 -2.518 19.994 767 3HG1 VAL 96 1HG1 VAL 96 31.537 -1.038 20.073 768 1HG2 VAL 96 1HG2 VAL 96 28.297 -2.486 18.840 769 2HG2 VAL 96 3HG2 VAL 96 28.034 -1.067 17.848 770 3HG2 VAL 96 2HG2 VAL 96 29.561 -1.874 17.712 771 H ASP 97 H ASP 97 29.054 2.210 20.197 772 HA ASP 97 HA ASP 97 30.990 2.848 22.183 773 1HB ASP 97 2HB ASP 97 30.132 4.577 20.733 774 2HB ASP 97 1HB ASP 97 28.628 4.596 21.647 775 H ASN 98 H ASN 98 27.615 2.254 22.541 776 HA ASN 98 HA ASN 98 27.843 1.467 25.295 777 1HB ASN 98 2HB ASN 98 28.324 3.681 25.621 778 2HB ASN 98 1HB ASN 98 26.923 4.141 24.747 779 1HD2 ASN 98 1HD2 ASN 98 24.842 3.713 27.746 780 2HD2 ASN 98 2HD2 ASN 98 24.752 4.087 26.080 781 H GLY 99 H GLY 99 26.371 0.808 22.480 782 1HA GLY 99 1HA GLY 99 24.233 -0.136 21.988 783 2HA GLY 99 2HA GLY 99 24.004 -0.319 23.626 784 H LYS 100 H LYS 100 24.403 2.874 21.772 785 HA LYS 100 HA LYS 100 22.199 3.842 23.413 786 1HB LYS 100 2HB LYS 100 23.903 5.236 21.492 787 2HB LYS 100 1HB LYS 100 22.265 5.760 21.777 788 1HG LYS 100 2HG LYS 100 23.669 6.893 23.387 789 2HG LYS 100 1HG LYS 100 23.071 5.463 24.381 790 1HD LYS 100 2HD LYS 100 25.117 4.472 24.287 791 2HD LYS 100 1HD LYS 100 25.315 4.725 22.657 792 1HE LYS 100 2HE LYS 100 27.152 5.866 23.405 793 2HE LYS 100 1HE LYS 100 26.007 7.139 23.068 794 1HZ LYS 100 1HZ LYS 100 26.417 5.948 25.771 795 2HZ LYS 100 3HZ LYS 100 27.165 7.377 25.214 796 3HZ LYS 100 2HZ LYS 100 25.478 7.290 25.387 797 H GLU 101 H GLU 101 20.477 5.380 22.267 798 HA GLU 101 HA GLU 101 19.448 3.811 19.979 799 1HB GLU 101 2HB GLU 101 17.530 4.591 22.147 800 2HB GLU 101 1HB GLU 101 17.251 3.489 20.892 801 1HG GLU 101 2HG GLU 101 17.841 1.908 22.614 802 2HG GLU 101 1HG GLU 101 19.377 2.243 21.972 803 H LEU 102 H LEU 102 20.551 5.475 19.070 804 HA LEU 102 HA LEU 102 19.819 8.135 18.673 805 1HB LEU 102 2HB LEU 102 20.551 5.817 16.917 806 2HB LEU 102 1HB LEU 102 19.913 7.281 16.157 807 HG LEU 102 HG LEU 102 21.793 7.927 18.280 808 1HD1 LEU 102 1HD1 LEU 102 22.797 5.769 16.707 809 2HD1 LEU 102 3HD1 LEU 102 23.442 7.199 15.879 810 3HD1 LEU 102 2HD1 LEU 102 23.797 6.943 17.625 811 1HD2 LEU 102 3HD2 LEU 102 21.190 8.751 15.420 812 2HD2 LEU 102 2HD2 LEU 102 21.115 9.607 17.004 813 3HD2 LEU 102 1HD2 LEU 102 22.680 9.322 16.258 814 H ILE 103 H ILE 103 18.581 5.164 16.947 815 HA ILE 103 HA ILE 103 16.438 4.648 16.387 816 HB ILE 103 HB ILE 103 16.227 6.602 18.739 817 1HG1 ILE 103 2HG1 ILE 103 16.762 4.126 19.103 818 2HG1 ILE 103 1HG1 ILE 103 15.293 4.487 19.863 819 1HG2 ILE 103 3HG2 ILE 103 13.842 5.861 17.123 820 2HG2 ILE 103 2HG2 ILE 103 13.823 5.854 18.926 821 3HG2 ILE 103 1HG2 ILE 103 14.267 7.314 18.103 822 1HD1 ILE 103 3HD1 ILE 103 14.086 3.964 17.689 823 2HD1 ILE 103 2HD1 ILE 103 15.447 2.947 17.311 824 3HD1 ILE 103 1HD1 ILE 103 14.462 2.695 18.802 825 H ALA 104 H ALA 104 17.774 6.660 14.991 826 HA ALA 104 HA ALA 104 16.165 9.020 14.403 827 1HB ALA 104 2HB ALA 104 18.109 7.415 12.599 828 2HB ALA 104 1HB ALA 104 17.280 8.929 12.052 829 3HB ALA 104 3HB ALA 104 18.498 8.934 13.388 830 H VAL 105 H VAL 105 14.192 8.238 14.605 831 HA VAL 105 HA VAL 105 13.076 6.134 12.878 832 HB VAL 105 HB VAL 105 11.685 8.365 14.546 833 1HG1 VAL 105 3HG1 VAL 105 10.410 6.434 12.873 834 2HG1 VAL 105 2HG1 VAL 105 10.101 6.009 14.597 835 3HG1 VAL 105 1HG1 VAL 105 9.766 7.614 14.038 836 1HG2 VAL 105 3HG2 VAL 105 12.898 5.795 15.462 837 2HG2 VAL 105 2HG2 VAL 105 12.610 7.336 16.351 838 3HG2 VAL 105 1HG2 VAL 105 11.318 6.173 16.137 839 H ARG 106 H ARG 106 11.041 8.824 12.863 840 HA ARG 106 HA ARG 106 11.499 10.702 11.290 841 1HB ARG 106 2HB ARG 106 12.162 8.439 9.606 842 2HB ARG 106 1HB ARG 106 10.756 9.291 8.898 843 1HG ARG 106 2HG ARG 106 11.932 10.835 8.119 844 2HG ARG 106 1HG ARG 106 12.197 11.443 9.685 845 1HD ARG 106 2HD ARG 106 14.334 9.495 9.284 846 2HD ARG 106 1HD ARG 106 14.024 10.230 7.701 847 HE ARG 106 HE ARG 106 14.092 12.437 8.824 848 1HH1 ARG 106 1HH2 ARG 106 16.176 9.785 10.243 849 2HH1 ARG 106 2HH2 ARG 106 17.219 10.998 10.855 850 1HH2 ARG 106 1HH1 ARG 106 15.529 13.772 9.674 851 2HH2 ARG 106 2HH1 ARG 106 16.906 13.208 10.569 852 H GLU 107 H GLU 107 9.724 8.108 12.204 853 HA GLU 107 HA GLU 107 7.471 7.595 12.305 854 1HB GLU 107 2HB GLU 107 8.425 10.227 13.207 855 2HB GLU 107 1HB GLU 107 6.585 10.089 12.993 856 1HG GLU 107 2HG GLU 107 7.753 7.814 14.404 857 2HG GLU 107 1HG GLU 107 8.319 9.130 15.137 858 H ILE 108 H ILE 108 7.684 10.932 11.257 859 HA ILE 108 HA ILE 108 6.803 12.259 9.690 860 HB ILE 108 HB ILE 108 7.580 10.128 8.368 861 1HG1 ILE 108 2HG1 ILE 108 5.528 12.098 7.313 862 2HG1 ILE 108 1HG1 ILE 108 7.144 12.556 7.836 863 1HG2 ILE 108 2HG2 ILE 108 4.487 10.187 7.937 864 2HG2 ILE 108 1HG2 ILE 108 5.561 9.509 6.745 865 3HG2 ILE 108 3HG2 ILE 108 5.417 8.679 8.269 866 1HD1 ILE 108 3HD1 ILE 108 7.050 10.282 5.846 867 2HD1 ILE 108 2HD1 ILE 108 6.455 11.860 5.211 868 3HD1 ILE 108 1HD1 ILE 108 8.124 11.648 5.802 869 H SER 109 H SER 109 4.978 13.371 9.855 870 HA SER 109 HA SER 109 2.477 12.149 9.516 871 1HB SER 109 2HB SER 109 2.824 11.096 11.749 872 2HB SER 109 1HB SER 109 3.498 12.608 12.351 873 HG SER 109 HG SER 109 1.521 12.614 13.145 874 H GLY 110 H GLY 110 1.538 13.769 8.604 875 1HA GLY 110 1HA GLY 110 0.594 15.814 8.220 876 2HA GLY 110 2HA GLY 110 0.981 16.236 9.942 877 H ASN 111 H ASN 111 2.595 15.571 6.850 878 HA ASN 111 HA ASN 111 4.441 16.543 5.817 879 1HB ASN 111 2HB ASN 111 3.728 19.204 6.717 880 2HB ASN 111 1HB ASN 111 4.573 18.657 5.295 881 1HD2 ASN 111 2HD2 ASN 111 1.301 17.132 3.992 882 2HD2 ASN 111 1HD2 ASN 111 2.796 16.448 4.486 883 H GLU 112 H GLU 112 5.271 15.215 7.923 884 HA GLU 112 HA GLU 112 7.180 17.003 9.370 885 1HB GLU 112 2HB GLU 112 5.138 15.155 10.319 886 2HB GLU 112 1HB GLU 112 6.673 14.486 10.775 887 1HG GLU 112 2HG GLU 112 5.453 16.051 12.474 888 2HG GLU 112 1HG GLU 112 7.129 16.232 12.292 889 H LEU 113 H LEU 113 8.422 14.993 10.575 890 HA LEU 113 HA LEU 113 9.024 12.628 9.216 891 1HB LEU 113 2HB LEU 113 10.917 14.960 8.804 892 2HB LEU 113 1HB LEU 113 11.635 13.377 9.252 893 HG LEU 113 HG LEU 113 9.969 14.126 6.800 894 1HD1 LEU 113 2HD1 LEU 113 12.797 13.593 7.410 895 2HD1 LEU 113 1HD1 LEU 113 12.209 12.388 6.233 896 3HD1 LEU 113 3HD1 LEU 113 12.090 14.149 5.892 897 1HD2 LEU 113 3HD2 LEU 113 10.247 11.516 8.289 898 2HD2 LEU 113 2HD2 LEU 113 8.927 12.131 7.352 899 3HD2 LEU 113 1HD2 LEU 113 10.314 11.366 6.495 900 H ILE 114 H ILE 114 9.878 15.197 11.615 901 HA ILE 114 HA ILE 114 10.159 14.941 13.841 902 HB ILE 114 HB ILE 114 9.222 12.200 14.126 903 1HG1 ILE 114 2HG1 ILE 114 7.865 12.891 11.822 904 2HG1 ILE 114 1HG1 ILE 114 7.396 11.806 13.029 905 1HG2 ILE 114 1HG2 ILE 114 9.393 14.231 15.583 906 2HG2 ILE 114 3HG2 ILE 114 7.760 14.589 15.114 907 3HG2 ILE 114 2HG2 ILE 114 8.078 13.039 15.856 908 1HD1 ILE 114 1HD1 ILE 114 6.560 14.758 13.407 909 2HD1 ILE 114 3HD1 ILE 114 5.751 13.701 12.236 910 3HD1 ILE 114 2HD1 ILE 114 5.729 13.255 13.926 911 H GLN 115 H GLN 115 11.932 13.042 11.766 912 HA GLN 115 HA GLN 115 13.487 11.315 12.126 913 1HB GLN 115 2HB GLN 115 14.080 13.592 13.971 914 2HB GLN 115 1HB GLN 115 15.303 12.721 13.002 915 1HG GLN 115 2HG GLN 115 14.053 13.779 10.929 916 2HG GLN 115 1HG GLN 115 13.076 14.698 12.080 917 1HE2 GLN 115 1HE2 GLN 115 16.892 15.801 12.879 918 2HE2 GLN 115 2HE2 GLN 115 16.481 14.170 13.189 919 H THR 116 H THR 116 13.230 12.770 15.379 920 HA THR 116 HA THR 116 12.694 11.853 17.472 921 HB THR 116 HB THR 116 12.285 9.239 16.127 922 HG1 THR 116 1HG THR 116 9.991 10.738 16.277 923 1HG2 THR 116 2HG2 THR 116 11.858 10.187 18.776 924 2HG2 THR 116 1HG2 THR 116 10.208 10.216 18.091 925 3HG2 THR 116 3HG2 THR 116 11.160 8.739 18.069 926 H TYR 117 H TYR 117 15.547 11.713 16.662 927 HA TYR 117 HA TYR 117 16.041 8.926 17.259 928 1HB TYR 117 2HB TYR 117 17.998 11.250 17.830 929 2HB TYR 117 1HB TYR 117 18.635 9.861 17.577 930 HD1 TYR 117 HD2 TYR 117 16.084 11.010 14.896 931 HD2 TYR 117 HD1 TYR 117 20.267 10.775 15.834 932 HE1 TYR 117 HE2 TYR 117 16.705 11.570 12.596 933 HE2 TYR 117 HE1 TYR 117 20.805 11.340 13.551 934 HH TYR 117 HH TYR 117 19.257 12.774 11.582 935 H THR 118 H THR 118 15.563 8.330 19.142 936 HA THR 118 HA THR 118 16.044 10.177 21.415 937 HB THR 118 HB THR 118 14.456 7.706 21.661 938 HG1 THR 118 1HG THR 118 12.745 9.289 21.244 939 1HG2 THR 118 3HG2 THR 118 15.005 10.354 23.214 940 2HG2 THR 118 2HG2 THR 118 13.369 9.685 23.350 941 3HG2 THR 118 1HG2 THR 118 14.805 8.733 23.878 942 H TYR 119 H TYR 119 18.335 9.519 21.454 943 HA TYR 119 HA TYR 119 19.194 6.740 21.793 944 1HB TYR 119 2HB TYR 119 21.328 7.407 21.937 945 2HB TYR 119 1HB TYR 119 20.652 8.553 20.799 946 HD1 TYR 119 HD1 TYR 119 22.137 7.885 24.076 947 HD2 TYR 119 HD2 TYR 119 20.454 11.015 21.593 948 HE1 TYR 119 HE1 TYR 119 23.097 9.554 25.561 949 HE2 TYR 119 HE2 TYR 119 21.451 12.715 23.133 950 HH TYR 119 HH TYR 119 22.879 13.007 24.774 951 H GLU 120 H GLU 120 17.849 8.869 24.192 952 HA GLU 120 HA GLU 120 18.194 6.690 26.063 953 1HB GLU 120 2HB GLU 120 20.287 6.850 26.632 954 2HB GLU 120 1HB GLU 120 20.504 8.203 25.525 955 1HG GLU 120 2HG GLU 120 21.187 9.281 27.331 956 2HG GLU 120 1HG GLU 120 19.535 9.787 27.324 957 H GLY 121 H GLY 121 16.210 8.564 25.114 958 1HA GLY 121 1HA GLY 121 14.446 9.515 26.364 959 2HA GLY 121 2HA GLY 121 15.433 9.832 27.699 960 H VAL 122 H VAL 122 16.639 10.319 24.502 961 HA VAL 122 HA VAL 122 16.445 13.250 24.542 962 HB VAL 122 HB VAL 122 19.011 12.005 23.675 963 1HG1 VAL 122 2HG1 VAL 122 18.187 14.524 25.096 964 2HG1 VAL 122 1HG1 VAL 122 19.445 13.702 25.972 965 3HG1 VAL 122 3HG1 VAL 122 19.734 14.196 24.332 966 1HG2 VAL 122 3HG2 VAL 122 18.167 11.779 26.617 967 2HG2 VAL 122 2HG2 VAL 122 18.517 10.431 25.479 968 3HG2 VAL 122 1HG2 VAL 122 19.786 11.508 25.999 969 H GLU 123 H GLU 123 14.850 12.747 22.973 970 HA GLU 123 HA GLU 123 15.151 11.474 20.368 971 1HB GLU 123 2HB GLU 123 12.929 12.304 21.721 972 2HB GLU 123 1HB GLU 123 13.339 13.848 21.203 973 1HG GLU 123 2HG GLU 123 13.509 12.984 18.781 974 2HG GLU 123 1HG GLU 123 13.157 11.470 19.285 975 H ALA 124 H ALA 124 15.856 12.178 18.599 976 HA ALA 124 HA ALA 124 16.620 14.989 18.372 977 1HB ALA 124 1HB ALA 124 18.313 12.950 18.487 978 2HB ALA 124 3HB ALA 124 18.045 12.824 16.758 979 3HB ALA 124 2HB ALA 124 18.704 14.323 17.390 980 H LYS 125 H LYS 125 15.340 16.011 17.271 981 HA LYS 125 HA LYS 125 14.738 15.109 14.567 982 1HB LYS 125 2HB LYS 125 12.163 15.916 15.764 983 2HB LYS 125 1HB LYS 125 12.635 14.518 14.789 984 1HG LYS 125 2HG LYS 125 12.031 13.573 17.045 985 2HG LYS 125 1HG LYS 125 13.708 13.707 17.044 986 1HD LYS 125 2HD LYS 125 12.582 14.740 19.056 987 2HD LYS 125 1HD LYS 125 13.724 15.748 18.271 988 1HE LYS 125 2HE LYS 125 12.022 17.296 17.492 989 2HE LYS 125 1HE LYS 125 10.793 15.994 17.476 990 1HZ LYS 125 3HZ LYS 125 11.870 16.960 20.016 991 2HZ LYS 125 2HZ LYS 125 10.475 17.627 19.278 992 3HZ LYS 125 1HZ LYS 125 10.551 15.991 19.702 993 H ARG 126 H ARG 126 12.419 17.145 14.392 994 HA ARG 126 HA ARG 126 12.359 19.528 15.268 995 1HB ARG 126 2HB ARG 126 14.971 19.495 14.011 996 2HB ARG 126 1HB ARG 126 13.852 20.971 14.111 997 1HG ARG 126 2HG ARG 126 14.301 19.414 16.642 998 2HG ARG 126 1HG ARG 126 15.596 20.614 16.044 999 1HD ARG 126 2HD ARG 126 14.117 22.335 16.039 1000 2HD ARG 126 1HD ARG 126 12.687 21.201 16.299 1001 HE ARG 126 HE ARG 126 13.717 20.612 18.461 1002 1HH1 ARG 126 1HH1 ARG 126 14.309 23.879 17.132 1003 2HH1 ARG 126 2HH1 ARG 126 14.575 24.523 18.711 1004 1HH2 ARG 126 2HH2 ARG 126 14.089 21.559 20.447 1005 2HH2 ARG 126 1HH2 ARG 126 14.467 23.235 20.648 1006 H ILE 127 H ILE 127 13.605 17.718 12.580 1007 HA ILE 127 HA ILE 127 12.111 16.856 10.931 1008 HB ILE 127 HB ILE 127 10.795 19.569 11.002 1009 1HG1 ILE 127 2HG1 ILE 127 8.942 18.240 11.570 1010 2HG1 ILE 127 1HG1 ILE 127 9.653 16.790 10.849 1011 1HG2 ILE 127 2HG2 ILE 127 11.065 19.102 8.630 1012 2HG2 ILE 127 1HG2 ILE 127 10.242 17.527 8.935 1013 3HG2 ILE 127 3HG2 ILE 127 9.387 19.031 9.115 1014 1HD1 ILE 127 2HD1 ILE 127 11.147 16.639 12.973 1015 2HD1 ILE 127 1HD1 ILE 127 10.272 18.056 13.659 1016 3HD1 ILE 127 3HD1 ILE 127 9.417 16.588 13.323 1017 H PHE 128 H PHE 128 11.981 16.907 8.913 1018 HA PHE 128 HA PHE 128 14.170 17.190 7.310 1019 1HB PHE 128 2HB PHE 128 12.479 16.604 5.598 1020 2HB PHE 128 1HB PHE 128 11.968 15.791 7.019 1021 HD1 PHE 128 HD2 PHE 128 11.343 19.179 5.365 1022 HD2 PHE 128 HD1 PHE 128 9.732 15.885 7.454 1023 HE1 PHE 128 HE2 PHE 128 9.232 20.196 5.048 1024 HE2 PHE 128 HE1 PHE 128 7.481 16.916 7.144 1025 HZ PHE 128 HZ PHE 128 7.185 19.062 5.954 1026 H LYS 129 H LYS 129 14.370 17.935 5.483 1027 HA LYS 129 HA LYS 129 13.526 20.671 4.905 1028 1HB LYS 129 2HB LYS 129 16.309 19.836 4.128 1029 2HB LYS 129 1HB LYS 129 15.334 21.251 3.642 1030 1HG LYS 129 2HG LYS 129 15.117 21.626 6.193 1031 2HG LYS 129 1HG LYS 129 16.489 20.540 6.319 1032 1HD LYS 129 2HD LYS 129 17.724 22.477 6.066 1033 2HD LYS 129 1HD LYS 129 17.546 22.074 4.387 1034 1HE LYS 129 2HE LYS 129 16.048 23.723 3.876 1035 2HE LYS 129 1HE LYS 129 15.233 23.625 5.414 1036 1HZ LYS 129 2HZ LYS 129 17.123 24.984 6.374 1037 2HZ LYS 129 1HZ LYS 129 17.845 24.967 4.863 1038 3HZ LYS 129 3HZ LYS 129 16.378 25.768 5.083 1039 H LYS 130 H LYS 130 12.575 18.045 4.507 1040 HA LYS 130 HA LYS 130 12.360 16.740 2.312 1041 1HB LYS 130 2HB LYS 130 10.477 16.515 2.848 1042 2HB LYS 130 1HB LYS 130 10.065 18.255 3.203 1043 1HG LYS 130 2HG LYS 130 10.527 17.113 0.462 1044 2HG LYS 130 1HG LYS 130 9.073 16.572 1.142 1045 1HD LYS 130 2HD LYS 130 9.294 19.528 1.456 1046 2HD LYS 130 1HD LYS 130 9.568 19.084 -0.204 1047 1HE LYS 130 2HE LYS 130 7.115 19.187 -0.236 1048 2HE LYS 130 1HE LYS 130 7.360 17.500 0.209 1049 1HZ LYS 130 1HZ LYS 130 7.261 18.209 2.536 1050 2HZ LYS 130 3HZ LYS 130 6.960 19.778 2.053 1051 3HZ LYS 130 2HZ LYS 130 5.818 18.567 1.707 1052 H GLU 131 H GLU 131 12.437 16.711 0.379 1053 HA GLU 131 HA GLU 131 12.541 19.250 -1.068 1054 1HB GLU 131 2HB GLU 131 14.611 18.333 0.007 1055 2HB GLU 131 1HB GLU 131 14.592 17.193 -0.877 1056 1HG GLU 131 2HG GLU 131 16.374 18.676 -1.729 1057 2HG GLU 131 1HG GLU 131 15.246 18.595 -3.025 No H/Q in entry = 1057 Start of MODEL 9 1 1H ALA 1 1H ALA 1 2.853 7.873 2.800 2 2H ALA 1 3H ALA 1 2.743 7.725 4.426 3 3H ALA 1 2H ALA 1 1.567 8.560 3.601 4 HA ALA 1 HA ALA 1 3.146 10.319 3.090 5 1HB ALA 1 2HB ALA 1 2.131 9.758 5.537 6 2HB ALA 1 1HB ALA 1 3.839 9.452 5.945 7 3HB ALA 1 3HB ALA 1 3.360 11.056 5.370 8 H PHE 2 H PHE 2 5.651 10.639 4.503 9 HA PHE 2 HA PHE 2 7.933 10.029 4.301 10 1HB PHE 2 2HB PHE 2 6.537 7.388 4.660 11 2HB PHE 2 1HB PHE 2 8.242 7.461 4.039 12 HD1 PHE 2 HD2 PHE 2 9.388 9.790 5.514 13 HD2 PHE 2 HD1 PHE 2 6.911 6.474 6.835 14 HE1 PHE 2 HE2 PHE 2 10.331 9.946 7.690 15 HE2 PHE 2 HE1 PHE 2 7.862 6.628 9.058 16 HZ PHE 2 HZ PHE 2 9.594 8.344 9.568 17 H ASP 3 H ASP 3 7.725 10.922 1.968 18 HA ASP 3 HA ASP 3 8.895 9.031 0.081 19 1HB ASP 3 2HB ASP 3 7.018 9.654 -1.747 20 2HB ASP 3 1HB ASP 3 7.032 8.161 -0.710 21 H GLY 4 H GLY 4 9.929 9.923 -1.689 22 1HA GLY 4 1HA GLY 4 9.846 11.982 -3.307 23 2HA GLY 4 2HA GLY 4 9.369 12.843 -1.951 24 H THR 5 H THR 5 10.515 13.345 -0.364 25 HA THR 5 HA THR 5 13.459 13.680 -0.143 26 HB THR 5 HB THR 5 13.353 15.881 -0.414 27 HG1 THR 5 1HG THR 5 10.830 15.369 -1.654 28 1HG2 THR 5 1HG2 THR 5 13.685 14.113 -2.534 29 2HG2 THR 5 3HG2 THR 5 12.189 14.891 -3.120 30 3HG2 THR 5 2HG2 THR 5 13.706 15.846 -2.941 31 H TRP 6 H TRP 6 13.945 14.953 1.395 32 HA TRP 6 HA TRP 6 12.158 15.722 3.589 33 1HB TRP 6 2HB TRP 6 13.656 13.048 3.112 34 2HB TRP 6 1HB TRP 6 13.528 13.780 4.692 35 HD1 TRP 6 HD1 TRP 6 12.039 11.056 3.214 36 HE1 TRP 6 HE1 TRP 6 9.562 10.629 3.243 37 HE3 TRP 6 HE3 TRP 6 10.497 15.783 4.526 38 HZ2 TRP 6 HZ2 TRP 6 7.224 12.111 3.703 39 HZ3 TRP 6 HZ3 TRP 6 8.151 16.128 4.712 40 HH2 TRP 6 HH2 TRP 6 6.488 14.315 4.299 41 H LYS 7 H LYS 7 13.944 16.417 5.507 42 HA LYS 7 HA LYS 7 16.729 16.268 4.539 43 1HB LYS 7 2HB LYS 7 15.621 18.897 5.018 44 2HB LYS 7 1HB LYS 7 17.026 18.487 4.165 45 1HG LYS 7 2HG LYS 7 15.740 17.400 2.367 46 2HG LYS 7 1HG LYS 7 14.253 17.589 2.971 47 1HD LYS 7 2HD LYS 7 14.784 18.992 1.059 48 2HD LYS 7 1HD LYS 7 14.503 20.143 2.306 49 1HE LYS 7 2HE LYS 7 16.295 21.125 1.578 50 2HE LYS 7 1HE LYS 7 17.224 20.034 2.523 51 1HZ LYS 7 3HZ LYS 7 16.779 18.766 0.091 52 2HZ LYS 7 2HZ LYS 7 17.010 20.382 -0.315 53 3HZ LYS 7 1HZ LYS 7 18.207 19.569 0.531 54 H VAL 8 H VAL 8 17.061 18.630 6.243 55 HA VAL 8 HA VAL 8 15.899 17.885 8.789 56 HB VAL 8 HB VAL 8 18.801 17.427 8.505 57 1HG1 VAL 8 3HG1 VAL 8 17.338 18.716 10.678 58 2HG1 VAL 8 2HG1 VAL 8 17.704 17.096 11.203 59 3HG1 VAL 8 1HG1 VAL 8 19.010 18.245 10.736 60 1HG2 VAL 8 2HG2 VAL 8 16.503 15.696 9.405 61 2HG2 VAL 8 1HG2 VAL 8 17.639 15.352 8.099 62 3HG2 VAL 8 3HG2 VAL 8 18.186 15.286 9.801 63 H ASP 9 H ASP 9 15.082 19.812 7.817 64 HA ASP 9 HA ASP 9 16.146 22.311 7.389 65 1HB ASP 9 2HB ASP 9 13.756 21.174 7.713 66 2HB ASP 9 1HB ASP 9 13.905 21.842 9.274 67 H ARG 10 H ARG 10 15.214 20.952 10.485 68 HA ARG 10 HA ARG 10 16.829 23.197 11.727 69 1HB ARG 10 2HB ARG 10 14.895 22.704 13.575 70 2HB ARG 10 1HB ARG 10 15.071 24.081 12.491 71 1HG ARG 10 2HG ARG 10 13.601 21.702 11.379 72 2HG ARG 10 1HG ARG 10 12.813 22.456 12.723 73 1HD ARG 10 2HD ARG 10 12.785 24.691 11.500 74 2HD ARG 10 1HD ARG 10 13.622 23.930 10.116 75 HE ARG 10 HE ARG 10 11.579 22.994 9.558 76 1HH1 ARG 10 2HH2 ARG 10 11.373 23.839 13.036 77 2HH1 ARG 10 1HH2 ARG 10 9.713 23.419 13.176 78 1HH2 ARG 10 1HH1 ARG 10 9.365 22.468 9.817 79 2HH2 ARG 10 2HH1 ARG 10 8.575 22.634 11.340 80 H ASN 11 H ASN 11 17.386 22.645 14.060 81 HA ASN 11 HA ASN 11 17.560 19.687 14.373 82 1HB ASN 11 2HB ASN 11 20.083 19.999 14.742 83 2HB ASN 11 1HB ASN 11 19.544 20.073 13.063 84 1HD2 ASN 11 2HD2 ASN 11 22.123 22.624 13.575 85 2HD2 ASN 11 1HD2 ASN 11 21.971 20.899 13.627 86 H GLU 12 H GLU 12 16.680 19.520 16.214 87 HA GLU 12 HA GLU 12 16.991 21.572 18.319 88 1HB GLU 12 2HB GLU 12 15.429 19.014 18.103 89 2HB GLU 12 1HB GLU 12 15.940 19.529 19.693 90 1HG GLU 12 2HG GLU 12 14.606 21.698 18.082 91 2HG GLU 12 1HG GLU 12 13.609 20.364 18.596 92 H ASN 13 H ASN 13 17.268 18.207 19.532 93 HA ASN 13 HA ASN 13 19.398 18.876 21.207 94 1HB ASN 13 2HB ASN 13 17.537 17.021 21.256 95 2HB ASN 13 1HB ASN 13 18.811 16.023 20.617 96 1HD2 ASN 13 1HD2 ASN 13 20.879 16.296 23.586 97 2HD2 ASN 13 2HD2 ASN 13 20.945 15.990 21.866 98 H TYR 14 H TYR 14 19.231 17.657 17.938 99 HA TYR 14 HA TYR 14 20.962 16.360 16.813 100 1HB TYR 14 2HB TYR 14 19.894 18.742 16.303 101 2HB TYR 14 1HB TYR 14 21.566 19.053 16.042 102 HD1 TYR 14 HD1 TYR 14 22.793 17.037 14.460 103 HD2 TYR 14 HD2 TYR 14 18.556 17.710 14.926 104 HE1 TYR 14 HE1 TYR 14 22.308 15.763 12.328 105 HE2 TYR 14 HE2 TYR 14 18.113 16.468 12.888 106 HH TYR 14 HH TYR 14 19.215 14.781 11.361 107 H GLU 15 H GLU 15 22.664 19.407 18.152 108 HA GLU 15 HA GLU 15 25.175 18.093 17.530 109 1HB GLU 15 2HB GLU 15 26.300 19.828 18.837 110 2HB GLU 15 1HB GLU 15 25.363 20.369 17.434 111 1HG GLU 15 2HG GLU 15 23.542 21.082 18.907 112 2HG GLU 15 1HG GLU 15 24.318 20.340 20.344 113 H LYS 16 H LYS 16 23.190 18.415 20.510 114 HA LYS 16 HA LYS 16 25.273 17.234 22.276 115 1HB LYS 16 2HB LYS 16 23.295 18.912 22.726 116 2HB LYS 16 1HB LYS 16 22.586 17.377 23.278 117 1HG LYS 16 2HG LYS 16 24.721 16.946 24.645 118 2HG LYS 16 1HG LYS 16 25.216 18.583 24.209 119 1HD LYS 16 2HD LYS 16 23.122 19.492 25.291 120 2HD LYS 16 1HD LYS 16 22.561 17.935 25.563 121 1HE LYS 16 2HE LYS 16 23.747 19.332 27.540 122 2HE LYS 16 1HE LYS 16 24.004 17.567 27.408 123 1HZ LYS 16 1HZ LYS 16 26.032 18.139 26.102 124 2HZ LYS 16 3HZ LYS 16 25.760 19.770 26.486 125 3HZ LYS 16 2HZ LYS 16 26.092 18.662 27.699 126 H PHE 17 H PHE 17 22.381 15.974 20.457 127 HA PHE 17 HA PHE 17 22.165 13.517 21.793 128 1HB PHE 17 2HB PHE 17 20.368 13.495 20.481 129 2HB PHE 17 1HB PHE 17 20.987 14.863 19.522 130 HD1 PHE 17 HD1 PHE 17 22.517 14.317 17.502 131 HD2 PHE 17 HD2 PHE 17 20.262 11.345 19.536 132 HE1 PHE 17 HE1 PHE 17 22.772 12.889 15.530 133 HE2 PHE 17 HE2 PHE 17 20.473 9.867 17.597 134 HZ PHE 17 HZ PHE 17 21.735 10.618 15.550 135 H MET 18 H MET 18 24.245 14.589 19.202 136 HA MET 18 HA MET 18 25.243 12.022 18.263 137 1HB MET 18 2HB MET 18 25.668 14.930 17.759 138 2HB MET 18 1HB MET 18 27.103 13.833 17.606 139 1HG MET 18 2HG MET 18 25.385 12.268 16.323 140 2HG MET 18 1HG MET 18 24.411 13.704 16.180 141 1HE MET 18 2HE MET 18 25.549 15.991 15.327 142 2HE MET 18 1HE MET 18 27.075 15.772 16.213 143 3HE MET 18 3HE MET 18 27.132 16.106 14.457 144 H GLU 19 H GLU 19 26.360 14.800 20.087 145 HA GLU 19 HA GLU 19 28.897 14.221 20.789 146 1HB GLU 19 2HB GLU 19 26.885 15.989 21.561 147 2HB GLU 19 1HB GLU 19 27.175 15.157 23.054 148 1HG GLU 19 2HG GLU 19 28.742 16.750 23.402 149 2HG GLU 19 1HG GLU 19 29.729 15.517 22.615 150 H LYS 20 H LYS 20 25.931 13.166 22.476 151 HA LYS 20 HA LYS 20 27.332 12.206 24.752 152 1HB LYS 20 2HB LYS 20 24.586 11.527 23.905 153 2HB LYS 20 1HB LYS 20 25.332 11.366 25.533 154 1HG LYS 20 2HG LYS 20 25.925 13.955 24.790 155 2HG LYS 20 1HG LYS 20 24.180 13.728 24.350 156 1HD LYS 20 2HD LYS 20 23.538 13.212 26.493 157 2HD LYS 20 1HD LYS 20 25.091 12.646 27.016 158 1HE LYS 20 2HE LYS 20 24.814 15.550 26.280 159 2HE LYS 20 1HE LYS 20 24.295 14.990 27.933 160 1HZ LYS 20 3HZ LYS 20 26.587 13.777 27.744 161 2HZ LYS 20 2HZ LYS 20 26.971 15.010 26.682 162 3HZ LYS 20 1HZ LYS 20 26.518 15.387 28.258 163 H MET 21 H MET 21 26.771 10.572 21.625 164 HA MET 21 HA MET 21 27.238 7.925 22.869 165 1HB MET 21 2HB MET 21 27.358 7.337 20.234 166 2HB MET 21 1HB MET 21 25.937 7.252 21.375 167 1HG MET 21 2HG MET 21 25.400 9.587 20.668 168 2HG MET 21 1HG MET 21 26.515 9.358 19.277 169 1HE MET 21 3HE MET 21 24.385 10.457 18.866 170 2HE MET 21 2HE MET 21 23.383 9.699 17.638 171 3HE MET 21 1HE MET 21 22.786 9.826 19.336 172 H GLY 22 H GLY 22 29.140 10.466 22.365 173 1HA GLY 22 1HA GLY 22 31.559 10.241 22.817 174 2HA GLY 22 2HA GLY 22 31.588 8.765 21.898 175 H ILE 23 H ILE 23 29.764 11.546 20.743 176 HA ILE 23 HA ILE 23 31.349 11.581 18.262 177 HB ILE 23 HB ILE 23 28.913 12.922 19.280 178 1HG1 ILE 23 2HG1 ILE 23 27.906 11.917 17.462 179 2HG1 ILE 23 1HG1 ILE 23 29.434 11.718 16.591 180 1HG2 ILE 23 1HG2 ILE 23 30.546 14.706 18.087 181 2HG2 ILE 23 3HG2 ILE 23 30.240 13.766 16.627 182 3HG2 ILE 23 2HG2 ILE 23 28.905 14.559 17.468 183 1HD1 ILE 23 2HD1 ILE 23 28.743 10.263 19.274 184 2HD1 ILE 23 1HD1 ILE 23 28.502 9.540 17.677 185 3HD1 ILE 23 3HD1 ILE 23 30.126 9.989 18.212 186 H ASN 24 H ASN 24 31.101 13.371 21.307 187 HA ASN 24 HA ASN 24 32.553 14.920 22.245 188 1HB ASN 24 2HB ASN 24 34.486 13.781 20.453 189 2HB ASN 24 1HB ASN 24 34.811 15.091 21.583 190 1HD2 ASN 24 1HD2 ASN 24 34.089 11.294 23.040 191 2HD2 ASN 24 2HD2 ASN 24 33.898 11.627 21.369 192 H VAL 25 H VAL 25 33.926 16.771 21.796 193 HA VAL 25 HA VAL 25 32.524 18.544 19.974 194 HB VAL 25 HB VAL 25 33.438 20.355 20.613 195 1HG1 VAL 25 2HG1 VAL 25 32.007 18.373 22.428 196 2HG1 VAL 25 1HG1 VAL 25 32.414 19.955 23.124 197 3HG1 VAL 25 3HG1 VAL 25 31.455 19.836 21.640 198 1HG2 VAL 25 3HG2 VAL 25 35.245 18.515 22.188 199 2HG2 VAL 25 2HG2 VAL 25 35.466 20.281 21.962 200 3HG2 VAL 25 1HG2 VAL 25 34.462 19.685 23.268 201 H VAL 26 H VAL 26 35.459 16.704 19.631 202 HA VAL 26 HA VAL 26 37.040 18.240 17.975 203 HB VAL 26 HB VAL 26 36.712 15.308 17.773 204 1HG1 VAL 26 3HG1 VAL 26 38.677 17.213 16.521 205 2HG1 VAL 26 2HG1 VAL 26 39.275 15.663 17.211 206 3HG1 VAL 26 1HG1 VAL 26 38.027 15.670 15.978 207 1HG2 VAL 26 3HG2 VAL 26 37.543 17.157 19.853 208 2HG2 VAL 26 2HG2 VAL 26 37.954 15.459 19.911 209 3HG2 VAL 26 1HG2 VAL 26 39.075 16.596 19.108 210 H LYS 27 H LYS 27 34.030 16.723 17.417 211 HA LYS 27 HA LYS 27 34.049 16.779 14.495 212 1HB LYS 27 2HB LYS 27 31.905 16.225 16.502 213 2HB LYS 27 1HB LYS 27 31.654 16.245 14.753 214 1HG LYS 27 2HG LYS 27 33.357 14.290 16.378 215 2HG LYS 27 1HG LYS 27 31.995 13.947 15.410 216 1HD LYS 27 2HD LYS 27 33.255 14.318 13.298 217 2HD LYS 27 1HD LYS 27 34.618 14.901 14.188 218 1HE LYS 27 2HE LYS 27 33.716 12.049 13.806 219 2HE LYS 27 1HE LYS 27 35.346 12.738 13.810 220 1HZ LYS 27 3HZ LYS 27 35.110 12.887 16.276 221 2HZ LYS 27 2HZ LYS 27 33.663 12.020 16.088 222 3HZ LYS 27 1HZ LYS 27 35.123 11.349 15.578 223 H ARG 28 H ARG 28 33.195 18.832 17.198 224 HA ARG 28 HA ARG 28 31.315 20.559 16.141 225 1HB ARG 28 2HB ARG 28 31.980 20.481 18.446 226 2HB ARG 28 1HB ARG 28 33.420 21.442 18.079 227 1HG ARG 28 2HG ARG 28 32.075 23.247 17.175 228 2HG ARG 28 1HG ARG 28 30.639 22.233 17.181 229 1HD ARG 28 2HD ARG 28 31.570 22.311 19.862 230 2HD ARG 28 1HD ARG 28 31.861 23.891 19.365 231 HE ARG 28 HE ARG 28 29.108 22.896 18.857 232 1HH1 ARG 28 1HH2 ARG 28 31.293 24.983 20.812 233 2HH1 ARG 28 2HH2 ARG 28 29.938 25.858 21.467 234 1HH2 ARG 28 2HH1 ARG 28 27.517 24.100 19.771 235 2HH2 ARG 28 1HH1 ARG 28 27.776 25.390 20.899 236 H LYS 29 H LYS 29 34.647 20.195 15.424 237 HA LYS 29 HA LYS 29 35.695 22.617 14.570 238 1HB LYS 29 2HB LYS 29 36.137 19.852 13.908 239 2HB LYS 29 1HB LYS 29 36.667 21.036 12.691 240 1HG LYS 29 2HG LYS 29 38.510 20.990 14.075 241 2HG LYS 29 1HG LYS 29 37.602 22.299 14.864 242 1HD LYS 29 2HD LYS 29 36.647 20.474 16.414 243 2HD LYS 29 1HD LYS 29 37.926 19.433 15.796 244 1HE LYS 29 2HE LYS 29 39.654 20.584 16.829 245 2HE LYS 29 1HE LYS 29 38.788 22.146 16.698 246 1HZ LYS 29 3HZ LYS 29 37.700 20.113 18.502 247 2HZ LYS 29 2HZ LYS 29 39.173 20.856 18.905 248 3HZ LYS 29 1HZ LYS 29 37.810 21.801 18.631 249 H LEU 30 H LEU 30 33.163 20.669 13.048 250 HA LEU 30 HA LEU 30 33.321 22.362 10.579 251 1HB LEU 30 2HB LEU 30 31.107 20.442 10.666 252 2HB LEU 30 1HB LEU 30 32.273 20.724 9.367 253 HG LEU 30 HG LEU 30 32.593 18.887 11.764 254 1HD1 LEU 30 3HD1 LEU 30 31.115 18.143 9.834 255 2HD1 LEU 30 2HD1 LEU 30 32.498 18.347 8.736 256 3HD1 LEU 30 1HD1 LEU 30 32.537 17.136 10.049 257 1HD2 LEU 30 1HD2 LEU 30 34.666 19.603 9.580 258 2HD2 LEU 30 3HD2 LEU 30 34.786 19.941 11.301 259 3HD2 LEU 30 2HD2 LEU 30 34.814 18.256 10.741 260 H GLY 31 H GLY 31 31.037 21.358 13.136 261 1HA GLY 31 1HA GLY 31 29.619 23.002 14.283 262 2HA GLY 31 2HA GLY 31 29.659 23.958 12.811 263 H ALA 32 H ALA 32 28.122 21.512 14.586 264 HA ALA 32 HA ALA 32 25.952 20.571 14.306 265 1HB ALA 32 1HB ALA 32 25.568 22.858 13.102 266 2HB ALA 32 3HB ALA 32 25.433 21.791 11.674 267 3HB ALA 32 2HB ALA 32 24.388 21.546 13.117 268 H HIS 33 H HIS 33 24.973 18.765 13.176 269 HA HIS 33 HA HIS 33 26.804 17.340 11.333 270 1HB HIS 33 2HB HIS 33 25.283 16.570 13.510 271 2HB HIS 33 1HB HIS 33 24.046 16.491 12.207 272 HD1 HIS 33 HD1 HIS 33 27.720 15.477 11.898 273 HD2 HIS 33 HD2 HIS 33 23.862 13.704 12.037 274 HE1 HIS 33 HE1 HIS 33 27.954 13.049 11.363 275 HE2 HIS 33 HE2 HIS 33 25.673 11.954 11.435 276 H ASP 34 H ASP 34 25.049 15.781 9.922 277 HA ASP 34 HA ASP 34 24.558 16.732 7.617 278 1HB ASP 34 2HB ASP 34 22.451 15.097 8.907 279 2HB ASP 34 1HB ASP 34 22.845 15.204 7.188 280 H ASN 35 H ASN 35 23.294 17.710 6.265 281 HA ASN 35 HA ASN 35 20.745 18.875 7.144 282 1HB ASN 35 2HB ASN 35 22.769 20.365 7.947 283 2HB ASN 35 1HB ASN 35 23.035 20.736 6.229 284 1HD2 ASN 35 2HD2 ASN 35 20.567 23.271 6.144 285 2HD2 ASN 35 1HD2 ASN 35 22.099 22.630 5.566 286 H LEU 36 H LEU 36 19.917 17.590 5.244 287 HA LEU 36 HA LEU 36 20.152 19.373 2.960 288 1HB LEU 36 2HB LEU 36 21.883 18.726 1.923 289 2HB LEU 36 1HB LEU 36 22.301 17.789 3.324 290 HG LEU 36 HG LEU 36 21.266 15.737 2.288 291 1HD1 LEU 36 2HD1 LEU 36 19.931 17.502 0.427 292 2HD1 LEU 36 1HD1 LEU 36 21.195 16.755 -0.507 293 3HD1 LEU 36 3HD1 LEU 36 20.084 15.708 0.336 294 1HD2 LEU 36 2HD2 LEU 36 23.636 17.014 1.860 295 2HD2 LEU 36 1HD2 LEU 36 23.369 15.583 0.893 296 3HD2 LEU 36 3HD2 LEU 36 22.972 17.134 0.188 297 H LYS 37 H LYS 37 19.746 15.699 3.263 298 HA LYS 37 HA LYS 37 17.064 15.918 2.729 299 1HB LYS 37 2HB LYS 37 18.271 16.400 0.326 300 2HB LYS 37 1HB LYS 37 18.143 14.659 0.229 301 1HG LYS 37 2HG LYS 37 15.720 14.884 0.786 302 2HG LYS 37 1HG LYS 37 15.926 16.643 0.630 303 1HD LYS 37 2HD LYS 37 16.530 14.403 -1.353 304 2HD LYS 37 1HD LYS 37 15.174 15.485 -1.543 305 1HE LYS 37 2HE LYS 37 16.702 16.776 -2.862 306 2HE LYS 37 1HE LYS 37 17.257 17.345 -1.286 307 1HZ LYS 37 2HZ LYS 37 18.425 14.877 -2.333 308 2HZ LYS 37 1HZ LYS 37 18.813 16.368 -3.045 309 3HZ LYS 37 3HZ LYS 37 19.062 16.111 -1.378 310 H LEU 38 H LEU 38 17.000 14.387 4.430 311 HA LEU 38 HA LEU 38 18.427 11.938 4.515 312 1HB LEU 38 2HB LEU 38 16.270 12.734 6.101 313 2HB LEU 38 1HB LEU 38 15.408 12.128 4.798 314 HG LEU 38 HG LEU 38 15.790 10.692 6.909 315 1HD1 LEU 38 1HD1 LEU 38 14.839 9.821 4.800 316 2HD1 LEU 38 3HD1 LEU 38 16.452 9.289 4.235 317 3HD1 LEU 38 2HD1 LEU 38 15.722 8.567 5.669 318 1HD2 LEU 38 2HD2 LEU 38 18.417 10.862 6.926 319 2HD2 LEU 38 1HD2 LEU 38 17.803 9.186 6.797 320 3HD2 LEU 38 3HD2 LEU 38 18.390 10.018 5.359 321 H THR 39 H THR 39 15.521 13.172 3.074 322 HA THR 39 HA THR 39 14.265 12.846 1.363 323 HB THR 39 HB THR 39 16.231 10.954 0.006 324 HG1 THR 39 1HG THR 39 16.694 13.326 1.032 325 1HG2 THR 39 2HG2 THR 39 13.904 11.918 -1.043 326 2HG2 THR 39 1HG2 THR 39 14.928 13.368 -1.328 327 3HG2 THR 39 3HG2 THR 39 15.342 11.867 -2.103 328 H ILE 40 H ILE 40 12.661 11.079 0.679 329 HA ILE 40 HA ILE 40 13.506 8.292 1.419 330 HB ILE 40 HB ILE 40 11.042 9.549 2.603 331 1HG1 ILE 40 2HG1 ILE 40 13.529 8.091 3.743 332 2HG1 ILE 40 1HG1 ILE 40 13.380 9.803 3.613 333 1HG2 ILE 40 1HG2 ILE 40 10.381 7.373 1.741 334 2HG2 ILE 40 3HG2 ILE 40 11.738 6.608 2.546 335 3HG2 ILE 40 2HG2 ILE 40 10.480 7.402 3.520 336 1HD1 ILE 40 2HD1 ILE 40 11.037 8.993 4.999 337 2HD1 ILE 40 1HD1 ILE 40 12.387 8.196 5.785 338 3HD1 ILE 40 3HD1 ILE 40 12.377 9.983 5.635 339 H THR 41 H THR 41 12.833 6.723 0.235 340 HA THR 41 HA THR 41 10.674 6.964 -1.784 341 HB THR 41 HB THR 41 13.263 5.947 -2.714 342 HG1 THR 41 1HG THR 41 13.962 7.864 -2.528 343 1HG2 THR 41 1HG2 THR 41 10.546 6.839 -3.702 344 2HG2 THR 41 3HG2 THR 41 11.898 7.326 -4.780 345 3HG2 THR 41 2HG2 THR 41 11.602 5.633 -4.474 346 H GLN 42 H GLN 42 9.599 5.174 -1.306 347 HA GLN 42 HA GLN 42 10.748 2.914 0.099 348 1HB GLN 42 2HB GLN 42 8.132 2.923 -1.556 349 2HB GLN 42 1HB GLN 42 8.507 2.095 -0.050 350 1HG GLN 42 2HG GLN 42 8.834 4.639 0.819 351 2HG GLN 42 1HG GLN 42 7.723 4.980 -0.504 352 1HE2 GLN 42 1HE2 GLN 42 5.865 4.630 2.677 353 2HE2 GLN 42 2HE2 GLN 42 7.281 5.530 2.176 354 H GLU 43 H GLU 43 10.517 0.781 -0.617 355 HA GLU 43 HA GLU 43 10.626 0.154 -3.466 356 1HB GLU 43 2HB GLU 43 12.927 0.411 -1.671 357 2HB GLU 43 1HB GLU 43 12.755 -1.276 -2.035 358 1HG GLU 43 2HG GLU 43 12.709 0.615 -4.403 359 2HG GLU 43 1HG GLU 43 14.302 -0.014 -3.651 360 H GLY 44 H GLY 44 8.620 0.043 -1.754 361 1HA GLY 44 1HA GLY 44 6.996 -1.481 -1.096 362 2HA GLY 44 2HA GLY 44 8.175 -2.834 -1.416 363 H ASN 45 H ASN 45 9.771 -3.318 0.038 364 HA ASN 45 HA ASN 45 9.116 -2.754 2.838 365 1HB ASN 45 2HB ASN 45 11.130 -4.808 1.714 366 2HB ASN 45 1HB ASN 45 10.665 -4.616 3.401 367 1HD2 ASN 45 2HD2 ASN 45 8.633 -6.999 0.871 368 2HD2 ASN 45 1HD2 ASN 45 10.148 -6.196 0.548 369 H LYS 46 H LYS 46 12.236 -3.273 1.150 370 HA LYS 46 HA LYS 46 13.712 -1.481 2.750 371 1HB LYS 46 2HB LYS 46 15.320 -2.287 1.481 372 2HB LYS 46 1HB LYS 46 14.127 -2.856 0.271 373 1HG LYS 46 2HG LYS 46 14.387 -0.322 -0.633 374 2HG LYS 46 1HG LYS 46 15.878 -0.422 0.317 375 1HD LYS 46 2HD LYS 46 14.965 -1.903 -2.175 376 2HD LYS 46 1HD LYS 46 16.548 -1.247 -1.834 377 1HE LYS 46 2HE LYS 46 16.533 -3.164 0.088 378 2HE LYS 46 1HE LYS 46 15.320 -3.860 -0.994 379 1HZ LYS 46 1HZ LYS 46 16.897 -3.940 -2.779 380 2HZ LYS 46 3HZ LYS 46 18.070 -3.225 -1.765 381 3HZ LYS 46 2HZ LYS 46 17.459 -4.774 -1.452 382 H PHE 47 H PHE 47 14.774 0.486 1.870 383 HA PHE 47 HA PHE 47 13.103 1.889 -0.098 384 1HB PHE 47 2HB PHE 47 13.698 3.651 2.210 385 2HB PHE 47 1HB PHE 47 12.254 3.580 1.146 386 HD1 PHE 47 HD2 PHE 47 13.891 2.422 4.252 387 HD2 PHE 47 HD1 PHE 47 10.252 2.183 1.906 388 HE1 PHE 47 HE2 PHE 47 12.618 1.429 6.156 389 HE2 PHE 47 HE1 PHE 47 9.022 1.208 3.785 390 HZ PHE 47 HZ PHE 47 10.270 0.854 5.920 391 H THR 48 H THR 48 14.131 3.022 -1.344 392 HA THR 48 HA THR 48 16.979 3.515 -1.197 393 HB THR 48 HB THR 48 15.236 4.742 -3.331 394 HG1 THR 48 1HG THR 48 14.901 2.817 -4.272 395 1HG2 THR 48 3HG2 THR 48 17.869 4.753 -3.177 396 2HG2 THR 48 2HG2 THR 48 17.746 3.041 -3.656 397 3HG2 THR 48 1HG2 THR 48 17.159 4.319 -4.744 398 H VAL 49 H VAL 49 16.811 4.774 0.790 399 HA VAL 49 HA VAL 49 15.464 7.425 0.474 400 HB VAL 49 HB VAL 49 15.675 7.711 2.723 401 1HG1 VAL 49 3HG1 VAL 49 14.319 5.670 2.158 402 2HG1 VAL 49 2HG1 VAL 49 15.702 4.699 2.718 403 3HG1 VAL 49 1HG1 VAL 49 14.831 5.792 3.839 404 1HG2 VAL 49 1HG2 VAL 49 18.064 5.818 2.650 405 2HG2 VAL 49 3HG2 VAL 49 18.119 7.518 3.045 406 3HG2 VAL 49 2HG2 VAL 49 17.327 6.404 4.175 407 H LYS 50 H LYS 50 16.945 9.290 0.542 408 HA LYS 50 HA LYS 50 19.544 8.615 -0.720 409 1HB LYS 50 2HB LYS 50 18.129 11.146 0.092 410 2HB LYS 50 1HB LYS 50 19.859 11.261 -0.258 411 1HG LYS 50 2HG LYS 50 19.509 10.444 -2.533 412 2HG LYS 50 1HG LYS 50 17.743 10.249 -2.263 413 1HD LYS 50 2HD LYS 50 17.619 12.726 -1.934 414 2HD LYS 50 1HD LYS 50 19.446 12.780 -2.212 415 1HE LYS 50 2HE LYS 50 17.722 11.313 -4.147 416 2HE LYS 50 1HE LYS 50 17.676 13.098 -4.200 417 1HZ LYS 50 2HZ LYS 50 20.187 11.602 -4.065 418 2HZ LYS 50 1HZ LYS 50 19.434 11.980 -5.546 419 3HZ LYS 50 3HZ LYS 50 19.922 13.223 -4.491 420 H GLU 51 H GLU 51 19.391 11.180 1.688 421 HA GLU 51 HA GLU 51 20.070 11.199 3.870 422 1HB GLU 51 2HB GLU 51 20.320 8.440 3.755 423 2HB GLU 51 1HB GLU 51 21.903 8.753 3.155 424 1HG GLU 51 2HG GLU 51 22.707 9.793 5.095 425 2HG GLU 51 1HG GLU 51 21.106 10.198 5.638 426 H SER 52 H SER 52 20.718 12.648 1.970 427 HA SER 52 HA SER 52 23.706 12.561 1.641 428 1HB SER 52 2HB SER 52 21.694 14.529 0.476 429 2HB SER 52 1HB SER 52 23.315 13.974 -0.193 430 HG SER 52 HG SER 52 22.343 11.946 -0.362 431 H SER 53 H SER 53 24.816 14.658 2.130 432 HA SER 53 HA SER 53 23.388 16.335 4.068 433 1HB SER 53 2HB SER 53 24.527 15.717 6.015 434 2HB SER 53 1HB SER 53 23.724 14.261 5.335 435 HG SER 53 HG SER 53 25.630 13.429 5.417 436 H ASN 54 H ASN 54 25.843 17.019 5.477 437 HA ASN 54 HA ASN 54 27.128 18.435 3.222 438 1HB ASN 54 2HB ASN 54 26.708 18.962 5.906 439 2HB ASN 54 1HB ASN 54 28.451 18.671 5.878 440 1HD2 ASN 54 2HD2 ASN 54 28.629 21.378 3.152 441 2HD2 ASN 54 1HD2 ASN 54 28.977 19.658 3.151 442 H PHE 55 H PHE 55 27.444 15.316 3.426 443 HA PHE 55 HA PHE 55 30.394 15.356 4.001 444 1HB PHE 55 2HB PHE 55 28.242 13.265 4.239 445 2HB PHE 55 1HB PHE 55 30.025 12.876 4.187 446 HD1 PHE 55 HD2 PHE 55 31.338 14.853 5.668 447 HD2 PHE 55 HD1 PHE 55 27.453 13.202 6.478 448 HE1 PHE 55 HE2 PHE 55 31.487 15.428 8.039 449 HE2 PHE 55 HE1 PHE 55 27.607 13.760 8.832 450 HZ PHE 55 HZ PHE 55 29.710 14.926 9.640 451 H ARG 56 H ARG 56 29.169 12.415 2.502 452 HA ARG 56 HA ARG 56 30.609 13.395 0.079 453 1HB ARG 56 2HB ARG 56 30.193 10.640 1.211 454 2HB ARG 56 1HB ARG 56 30.989 10.996 -0.355 455 1HG ARG 56 2HG ARG 56 32.860 12.054 0.772 456 2HG ARG 56 1HG ARG 56 31.976 12.170 2.283 457 1HD ARG 56 2HD ARG 56 32.531 9.440 1.035 458 2HD ARG 56 1HD ARG 56 33.779 10.270 1.987 459 HE ARG 56 HE ARG 56 31.070 10.038 3.217 460 1HH1 ARG 56 1HH1 ARG 56 34.311 8.652 2.947 461 2HH1 ARG 56 2HH1 ARG 56 34.118 7.750 4.444 462 1HH2 ARG 56 2HH2 ARG 56 30.963 8.757 5.187 463 2HH2 ARG 56 1HH2 ARG 56 32.300 7.796 5.660 464 H ASN 57 H ASN 57 27.726 12.891 1.388 465 HA ASN 57 HA ASN 57 25.600 12.821 0.632 466 1HB ASN 57 2HB ASN 57 25.560 14.020 -1.214 467 2HB ASN 57 1HB ASN 57 27.265 13.622 -1.654 468 1HD2 ASN 57 1HD2 ASN 57 24.160 11.512 -3.409 469 2HD2 ASN 57 2HD2 ASN 57 23.916 12.560 -2.051 470 H ILE 58 H ILE 58 24.198 10.909 0.499 471 HA ILE 58 HA ILE 58 25.431 8.613 -0.846 472 HB ILE 58 HB ILE 58 25.993 9.018 1.780 473 1HG1 ILE 58 2HG1 ILE 58 26.059 6.213 1.331 474 2HG1 ILE 58 1HG1 ILE 58 26.364 6.977 -0.232 475 1HG2 ILE 58 3HG2 ILE 58 23.610 8.559 2.326 476 2HG2 ILE 58 2HG2 ILE 58 23.774 6.923 1.606 477 3HG2 ILE 58 1HG2 ILE 58 24.710 7.327 3.017 478 1HD1 ILE 58 1HD1 ILE 58 27.861 7.936 2.290 479 2HD1 ILE 58 3HD1 ILE 58 28.435 6.547 1.395 480 3HD1 ILE 58 2HD1 ILE 58 28.387 8.098 0.584 481 H ASP 59 H ASP 59 24.046 6.870 -0.904 482 HA ASP 59 HA ASP 59 21.150 7.510 -0.562 483 1HB ASP 59 2HB ASP 59 20.965 5.581 -2.256 484 2HB ASP 59 1HB ASP 59 21.310 7.206 -2.778 485 H VAL 60 H VAL 60 20.065 5.947 0.676 486 HA VAL 60 HA VAL 60 21.717 3.544 1.435 487 HB VAL 60 HB VAL 60 19.930 5.255 3.216 488 1HG1 VAL 60 2HG1 VAL 60 21.239 2.639 3.604 489 2HG1 VAL 60 1HG1 VAL 60 21.514 3.776 4.929 490 3HG1 VAL 60 3HG1 VAL 60 19.860 3.363 4.504 491 1HG2 VAL 60 1HG2 VAL 60 22.238 6.245 2.506 492 2HG2 VAL 60 3HG2 VAL 60 21.839 6.241 4.226 493 3HG2 VAL 60 2HG2 VAL 60 22.966 5.029 3.575 494 H VAL 61 H VAL 61 20.732 2.139 0.217 495 HA VAL 61 HA VAL 61 17.736 1.955 0.468 496 HB VAL 61 HB VAL 61 19.283 0.161 -1.252 497 1HG1 VAL 61 1HG1 VAL 61 16.614 0.654 -1.095 498 2HG1 VAL 61 3HG1 VAL 61 17.027 1.937 -2.280 499 3HG1 VAL 61 2HG1 VAL 61 17.394 0.258 -2.640 500 1HG2 VAL 61 1HG2 VAL 61 19.115 3.242 -1.536 501 2HG2 VAL 61 3HG2 VAL 61 20.537 2.223 -1.694 502 3HG2 VAL 61 2HG2 VAL 61 19.363 2.254 -3.020 503 H PHE 62 H PHE 62 17.211 0.632 2.261 504 HA PHE 62 HA PHE 62 18.805 -1.874 2.457 505 1HB PHE 62 2HB PHE 62 18.811 -1.604 4.860 506 2HB PHE 62 1HB PHE 62 19.901 -0.549 3.957 507 HD1 PHE 62 HD1 PHE 62 18.320 1.930 3.296 508 HD2 PHE 62 HD2 PHE 62 18.024 -0.608 6.771 509 HE1 PHE 62 HE1 PHE 62 17.349 3.778 4.523 510 HE2 PHE 62 HE2 PHE 62 17.062 1.275 7.979 511 HZ PHE 62 HZ PHE 62 16.699 3.518 6.880 512 H GLU 63 H GLU 63 17.536 -3.505 2.863 513 HA GLU 63 HA GLU 63 14.694 -3.636 2.682 514 1HB GLU 63 2HB GLU 63 16.530 -5.664 3.954 515 2HB GLU 63 1HB GLU 63 14.816 -5.878 3.373 516 1HG GLU 63 2HG GLU 63 15.483 -5.354 1.083 517 2HG GLU 63 1HG GLU 63 17.136 -5.095 1.536 518 H LEU 64 H LEU 64 14.587 -1.649 4.388 519 HA LEU 64 HA LEU 64 13.840 -1.004 6.507 520 1HB LEU 64 2HB LEU 64 12.677 -3.707 6.214 521 2HB LEU 64 1HB LEU 64 12.787 -3.032 7.852 522 HG LEU 64 HG LEU 64 11.665 -1.339 5.599 523 1HD1 LEU 64 3HD1 LEU 64 10.429 -3.656 7.031 524 2HD1 LEU 64 2HD1 LEU 64 9.386 -2.229 6.929 525 3HD1 LEU 64 1HD1 LEU 64 10.024 -2.937 5.430 526 1HD2 LEU 64 3HD2 LEU 64 12.422 -0.634 8.032 527 2HD2 LEU 64 2HD2 LEU 64 10.887 -0.048 7.458 528 3HD2 LEU 64 1HD2 LEU 64 10.912 -1.422 8.616 529 H GLY 65 H GLY 65 14.321 -4.165 7.895 530 1HA GLY 65 1HA GLY 65 16.418 -2.902 9.518 531 2HA GLY 65 2HA GLY 65 15.497 -4.297 9.870 532 H VAL 66 H VAL 66 18.410 -2.985 8.773 533 HA VAL 66 HA VAL 66 19.716 -5.602 8.420 534 HB VAL 66 HB VAL 66 18.704 -4.630 6.247 535 1HG1 VAL 66 1HG1 VAL 66 19.579 -2.330 6.550 536 2HG1 VAL 66 3HG1 VAL 66 21.242 -2.900 6.286 537 3HG1 VAL 66 2HG1 VAL 66 20.050 -3.050 4.985 538 1HG2 VAL 66 1HG2 VAL 66 20.540 -6.521 6.518 539 2HG2 VAL 66 3HG2 VAL 66 20.216 -5.810 4.953 540 3HG2 VAL 66 2HG2 VAL 66 21.638 -5.264 5.841 541 H ASP 67 H ASP 67 21.064 -5.297 10.048 542 HA ASP 67 HA ASP 67 22.079 -2.640 10.815 543 1HB ASP 67 2HB ASP 67 22.892 -3.532 12.682 544 2HB ASP 67 1HB ASP 67 21.225 -4.140 12.405 545 H PHE 68 H PHE 68 24.033 -1.905 11.028 546 HA PHE 68 HA PHE 68 26.350 -3.376 9.942 547 1HB PHE 68 2HB PHE 68 25.937 -0.701 8.730 548 2HB PHE 68 1HB PHE 68 27.153 -1.919 8.452 549 HD1 PHE 68 HD1 PHE 68 26.011 -4.312 7.601 550 HD2 PHE 68 HD2 PHE 68 24.198 -0.481 7.199 551 HE1 PHE 68 HE1 PHE 68 24.661 -5.223 5.809 552 HE2 PHE 68 HE2 PHE 68 22.798 -1.347 5.382 553 HZ PHE 68 HZ PHE 68 23.018 -3.738 4.662 554 H ALA 69 H ALA 69 27.828 -3.055 11.603 555 HA ALA 69 HA ALA 69 27.714 -0.610 13.198 556 1HB ALA 69 3HB ALA 69 29.260 -3.140 13.215 557 2HB ALA 69 2HB ALA 69 30.269 -1.709 13.529 558 3HB ALA 69 1HB ALA 69 28.888 -2.045 14.610 559 H TYR 70 H TYR 70 27.783 0.998 11.852 560 HA TYR 70 HA TYR 70 30.485 1.597 10.697 561 1HB TYR 70 2HB TYR 70 29.715 2.042 8.582 562 2HB TYR 70 1HB TYR 70 28.456 0.848 9.072 563 HD1 TYR 70 HD2 TYR 70 26.158 1.857 10.127 564 HD2 TYR 70 HD1 TYR 70 29.009 4.213 7.938 565 HE1 TYR 70 HE2 TYR 70 24.467 3.569 9.758 566 HE2 TYR 70 HE1 TYR 70 27.294 5.951 7.570 567 HH TYR 70 HH TYR 70 24.112 5.400 7.882 568 H SER 71 H SER 71 28.395 2.418 12.927 569 HA SER 71 HA SER 71 28.161 4.235 14.243 570 1HB SER 71 2HB SER 71 29.781 5.717 14.292 571 2HB SER 71 1HB SER 71 30.579 4.715 13.124 572 HG SER 71 HG SER 71 29.354 6.169 11.526 573 H LEU 72 H LEU 72 27.176 6.182 14.433 574 HA LEU 72 HA LEU 72 25.068 6.613 12.495 575 1HB LEU 72 2HB LEU 72 24.088 7.923 14.286 576 2HB LEU 72 1HB LEU 72 24.940 6.567 15.050 577 HG LEU 72 HG LEU 72 25.639 8.077 16.411 578 1HD1 LEU 72 1HD1 LEU 72 27.730 8.012 14.359 579 2HD1 LEU 72 3HD1 LEU 72 27.637 9.597 15.087 580 3HD1 LEU 72 2HD1 LEU 72 27.809 8.186 16.145 581 1HD2 LEU 72 3HD2 LEU 72 24.497 9.956 14.445 582 2HD2 LEU 72 2HD2 LEU 72 24.687 10.146 16.183 583 3HD2 LEU 72 1HD2 LEU 72 25.991 10.626 15.041 584 H ALA 73 H ALA 73 26.829 6.958 10.990 585 HA ALA 73 HA ALA 73 27.419 8.363 9.286 586 1HB ALA 73 2HB ALA 73 25.708 10.010 10.192 587 2HB ALA 73 1HB ALA 73 27.128 10.839 10.904 588 3HB ALA 73 3HB ALA 73 27.079 10.583 9.146 589 H ASP 74 H ASP 74 28.817 8.744 12.514 590 HA ASP 74 HA ASP 74 31.524 8.926 11.317 591 1HB ASP 74 2HB ASP 74 30.310 11.239 12.346 592 2HB ASP 74 1HB ASP 74 31.968 10.835 12.840 593 H GLY 75 H GLY 75 29.564 9.299 14.258 594 1HA GLY 75 1HA GLY 75 31.822 8.782 16.042 595 2HA GLY 75 2HA GLY 75 30.152 9.147 16.482 596 H THR 76 H THR 76 32.534 6.833 16.390 597 HA THR 76 HA THR 76 32.751 4.721 17.151 598 HB THR 76 HB THR 76 30.034 5.409 18.245 599 HG1 THR 76 1HG THR 76 31.680 6.674 18.852 600 1HG2 THR 76 2HG2 THR 76 30.825 2.777 18.287 601 2HG2 THR 76 1HG2 THR 76 31.853 3.358 19.578 602 3HG2 THR 76 3HG2 THR 76 30.074 3.573 19.695 603 H GLU 77 H GLU 77 29.311 3.979 17.061 604 HA GLU 77 HA GLU 77 29.451 2.500 14.491 605 1HB GLU 77 2HB GLU 77 29.777 1.393 17.236 606 2HB GLU 77 1HB GLU 77 28.647 0.517 16.316 607 1HG GLU 77 2HG GLU 77 30.347 -0.643 15.149 608 2HG GLU 77 1HG GLU 77 31.078 0.934 14.665 609 H LEU 78 H LEU 78 27.350 1.316 14.048 610 HA LEU 78 HA LEU 78 25.331 1.609 16.101 611 1HB LEU 78 2HB LEU 78 25.415 3.202 13.533 612 2HB LEU 78 1HB LEU 78 24.009 2.131 13.463 613 HG LEU 78 HG LEU 78 24.571 4.393 15.378 614 1HD1 LEU 78 1HD1 LEU 78 22.390 3.539 13.426 615 2HD1 LEU 78 3HD1 LEU 78 22.106 4.849 14.621 616 3HD1 LEU 78 2HD1 LEU 78 23.396 4.985 13.377 617 1HD2 LEU 78 1HD2 LEU 78 23.061 1.886 15.871 618 2HD2 LEU 78 3HD2 LEU 78 23.346 3.146 17.060 619 3HD2 LEU 78 2HD2 LEU 78 21.963 3.276 15.989 620 H THR 79 H THR 79 25.562 -0.537 16.246 621 HA THR 79 HA THR 79 25.343 -2.409 13.989 622 HB THR 79 HB THR 79 26.585 -2.826 16.222 623 HG1 THR 79 1HG THR 79 26.109 -5.115 15.531 624 1HG2 THR 79 2HG2 THR 79 23.950 -3.230 17.280 625 2HG2 THR 79 1HG2 THR 79 24.474 -4.853 16.926 626 3HG2 THR 79 3HG2 THR 79 25.486 -3.828 17.954 627 H GLY 80 H GLY 80 23.053 -0.438 15.164 628 1HA GLY 80 1HA GLY 80 20.909 -2.381 15.692 629 2HA GLY 80 2HA GLY 80 20.825 -0.582 15.551 630 H THR 81 H THR 81 18.933 -2.109 14.630 631 HA THR 81 HA THR 81 19.388 -1.933 11.637 632 HB THR 81 HB THR 81 19.213 -4.292 12.719 633 HG1 THR 81 1HG THR 81 17.721 -4.906 11.021 634 1HG2 THR 81 2HG2 THR 81 16.976 -3.363 14.034 635 2HG2 THR 81 1HG2 THR 81 16.257 -4.234 12.678 636 3HG2 THR 81 3HG2 THR 81 17.339 -5.095 13.821 637 H TRP 82 H TRP 82 18.702 0.001 11.692 638 HA TRP 82 HA TRP 82 16.425 1.120 12.718 639 1HB TRP 82 2HB TRP 82 16.815 1.747 9.788 640 2HB TRP 82 1HB TRP 82 16.448 2.865 11.076 641 HD1 TRP 82 HD1 TRP 82 20.001 0.933 10.853 642 HE1 TRP 82 HE1 TRP 82 21.715 2.758 10.624 643 HE3 TRP 82 HE3 TRP 82 16.964 5.084 10.465 644 HZ2 TRP 82 HZ2 TRP 82 21.908 5.478 10.312 645 HZ3 TRP 82 HZ3 TRP 82 17.971 7.233 10.193 646 HH2 TRP 82 HH2 TRP 82 20.525 7.469 10.107 647 H THR 83 H THR 83 14.240 1.235 11.972 648 HA THR 83 HA THR 83 13.431 -0.104 9.529 649 HB THR 83 HB THR 83 11.657 -1.517 10.543 650 HG1 THR 83 1HG THR 83 12.800 -0.418 12.811 651 1HG2 THR 83 3HG2 THR 83 14.542 -2.072 11.249 652 2HG2 THR 83 2HG2 THR 83 13.222 -3.191 11.753 653 3HG2 THR 83 1HG2 THR 83 13.479 -2.845 10.019 654 H MET 84 H MET 84 10.562 -0.014 10.925 655 HA MET 84 HA MET 84 10.113 2.673 11.884 656 1HB MET 84 2HB MET 84 8.875 3.421 9.841 657 2HB MET 84 1HB MET 84 10.339 2.847 9.188 658 1HG MET 84 2HG MET 84 9.557 1.143 8.084 659 2HG MET 84 1HG MET 84 8.618 0.605 9.402 660 1HE MET 84 1HE MET 84 8.011 0.165 6.588 661 2HE MET 84 3HE MET 84 6.263 0.398 6.486 662 3HE MET 84 2HE MET 84 7.390 1.531 5.622 663 H GLU 85 H GLU 85 7.285 2.272 10.678 664 HA GLU 85 HA GLU 85 6.709 -0.340 11.859 665 1HB GLU 85 2HB GLU 85 6.631 1.913 13.589 666 2HB GLU 85 1HB GLU 85 4.943 1.777 12.972 667 1HG GLU 85 2HG GLU 85 5.736 -0.912 13.487 668 2HG GLU 85 1HG GLU 85 6.593 -0.086 14.695 669 H GLY 86 H GLY 86 5.451 2.679 10.548 670 1HA GLY 86 1HA GLY 86 4.296 1.771 8.257 671 2HA GLY 86 2HA GLY 86 3.023 1.559 9.603 672 H ASN 87 H ASN 87 3.956 3.517 11.353 673 HA ASN 87 HA ASN 87 3.525 5.978 9.743 674 1HB ASN 87 2HB ASN 87 2.319 7.085 11.133 675 2HB ASN 87 1HB ASN 87 1.553 5.533 10.442 676 1HD2 ASN 87 1HD2 ASN 87 0.862 4.315 13.660 677 2HD2 ASN 87 2HD2 ASN 87 0.487 4.380 11.978 678 H LYS 88 H LYS 88 5.957 4.415 11.137 679 HA LYS 88 HA LYS 88 7.540 6.801 11.469 680 1HB LYS 88 2HB LYS 88 8.264 6.261 13.716 681 2HB LYS 88 1HB LYS 88 6.830 7.142 13.694 682 1HG LYS 88 2HG LYS 88 5.447 5.141 14.178 683 2HG LYS 88 1HG LYS 88 6.931 4.090 14.236 684 1HD LYS 88 2HD LYS 88 6.818 6.658 15.750 685 2HD LYS 88 1HD LYS 88 5.883 5.287 16.412 686 1HE LYS 88 2HE LYS 88 8.888 5.368 15.774 687 2HE LYS 88 1HE LYS 88 8.136 5.419 17.404 688 1HZ LYS 88 2HZ LYS 88 7.197 3.125 16.419 689 2HZ LYS 88 1HZ LYS 88 8.625 3.223 15.546 690 3HZ LYS 88 3HZ LYS 88 8.673 3.283 17.223 691 H LEU 89 H LEU 89 9.347 6.393 10.988 692 HA LEU 89 HA LEU 89 10.786 3.940 10.514 693 1HB LEU 89 2HB LEU 89 11.207 6.818 10.520 694 2HB LEU 89 1HB LEU 89 12.468 5.999 11.335 695 HG LEU 89 HG LEU 89 13.450 5.178 9.529 696 1HD1 LEU 89 2HD1 LEU 89 10.645 4.586 8.478 697 2HD1 LEU 89 1HD1 LEU 89 12.021 4.594 7.325 698 3HD1 LEU 89 3HD1 LEU 89 12.063 3.497 8.701 699 1HD2 LEU 89 3HD2 LEU 89 11.811 7.522 8.683 700 2HD2 LEU 89 2HD2 LEU 89 13.572 7.272 8.413 701 3HD2 LEU 89 1HD2 LEU 89 12.374 6.607 7.304 702 H VAL 90 H VAL 90 12.912 3.842 11.721 703 HA VAL 90 HA VAL 90 12.945 4.461 14.522 704 HB VAL 90 HB VAL 90 13.429 1.587 13.984 705 1HG1 VAL 90 3HG1 VAL 90 13.035 3.297 16.268 706 2HG1 VAL 90 2HG1 VAL 90 11.826 2.010 16.399 707 3HG1 VAL 90 1HG1 VAL 90 13.505 1.560 16.315 708 1HG2 VAL 90 1HG2 VAL 90 10.496 2.602 14.402 709 2HG2 VAL 90 3HG2 VAL 90 11.161 1.604 13.056 710 3HG2 VAL 90 2HG2 VAL 90 11.035 0.968 14.674 711 H GLY 91 H GLY 91 15.035 5.307 14.212 712 1HA GLY 91 1HA GLY 91 16.862 4.382 12.239 713 2HA GLY 91 2HA GLY 91 17.201 5.494 13.562 714 H LYS 92 H LYS 92 15.950 3.301 15.231 715 HA LYS 92 HA LYS 92 16.657 1.880 16.794 716 1HB LYS 92 2HB LYS 92 17.299 0.380 14.235 717 2HB LYS 92 1HB LYS 92 17.559 -0.346 15.815 718 1HG LYS 92 2HG LYS 92 15.014 1.095 15.292 719 2HG LYS 92 1HG LYS 92 15.114 -0.569 14.836 720 1HD LYS 92 2HD LYS 92 16.366 -0.482 17.410 721 2HD LYS 92 1HD LYS 92 15.076 0.691 17.491 722 1HE LYS 92 2HE LYS 92 13.486 -1.043 17.712 723 2HE LYS 92 1HE LYS 92 14.024 -1.699 16.160 724 1HZ LYS 92 1HZ LYS 92 15.840 -2.239 18.336 725 2HZ LYS 92 3HZ LYS 92 14.258 -2.789 18.605 726 3HZ LYS 92 2HZ LYS 92 15.135 -3.279 17.235 727 H PHE 93 H PHE 93 18.891 0.011 16.922 728 HA PHE 93 HA PHE 93 21.313 1.609 16.872 729 1HB PHE 93 2HB PHE 93 20.979 1.431 19.594 730 2HB PHE 93 1HB PHE 93 20.548 2.830 18.743 731 HD1 PHE 93 HD2 PHE 93 19.691 -0.636 19.581 732 HD2 PHE 93 HD1 PHE 93 17.823 3.208 19.258 733 HE1 PHE 93 HE2 PHE 93 17.662 -1.579 20.459 734 HE2 PHE 93 HE1 PHE 93 15.753 2.208 20.270 735 HZ PHE 93 HZ PHE 93 15.653 -0.156 20.829 736 H LYS 94 H LYS 94 22.432 1.115 18.809 737 HA LYS 94 HA LYS 94 23.031 0.095 20.659 738 1HB LYS 94 2HB LYS 94 22.028 -2.440 19.267 739 2HB LYS 94 1HB LYS 94 23.561 -2.509 20.440 740 1HG LYS 94 2HG LYS 94 22.421 -1.127 21.987 741 2HG LYS 94 1HG LYS 94 21.083 -0.908 21.018 742 1HD LYS 94 2HD LYS 94 20.286 -3.176 21.529 743 2HD LYS 94 1HD LYS 94 21.873 -3.644 22.146 744 1HE LYS 94 2HE LYS 94 21.686 -2.079 24.029 745 2HE LYS 94 1HE LYS 94 20.130 -1.459 23.367 746 1HZ LYS 94 2HZ LYS 94 19.188 -3.664 23.662 747 2HZ LYS 94 1HZ LYS 94 20.660 -4.182 24.352 748 3HZ LYS 94 3HZ LYS 94 19.711 -2.988 25.094 749 H ARG 95 H ARG 95 24.466 1.350 19.962 750 HA ARG 95 HA ARG 95 26.202 1.209 17.777 751 1HB ARG 95 2HB ARG 95 27.050 1.795 20.671 752 2HB ARG 95 1HB ARG 95 27.545 2.667 19.137 753 1HG ARG 95 2HG ARG 95 25.408 3.148 21.082 754 2HG ARG 95 1HG ARG 95 26.453 4.229 20.264 755 1HD ARG 95 2HD ARG 95 23.876 3.166 19.026 756 2HD ARG 95 1HD ARG 95 24.371 4.742 19.480 757 HE ARG 95 HE ARG 95 25.178 3.527 16.973 758 1HH1 ARG 95 1HH1 ARG 95 26.178 5.941 19.535 759 2HH1 ARG 95 2HH1 ARG 95 27.116 6.801 18.390 760 1HH2 ARG 95 1HH2 ARG 95 26.458 4.837 15.621 761 2HH2 ARG 95 2HH2 ARG 95 27.264 6.234 16.329 762 H VAL 96 H VAL 96 28.508 1.243 19.894 763 HA VAL 96 HA VAL 96 28.962 -1.588 20.509 764 HB VAL 96 HB VAL 96 30.221 0.096 18.418 765 1HG1 VAL 96 1HG1 VAL 96 31.925 -1.511 20.312 766 2HG1 VAL 96 3HG1 VAL 96 32.439 -0.982 18.666 767 3HG1 VAL 96 2HG1 VAL 96 32.016 0.232 19.905 768 1HG2 VAL 96 3HG2 VAL 96 29.459 -2.781 18.752 769 2HG2 VAL 96 2HG2 VAL 96 29.351 -1.711 17.331 770 3HG2 VAL 96 1HG2 VAL 96 30.902 -2.419 17.734 771 H ASP 97 H ASP 97 30.213 1.845 20.471 772 HA ASP 97 HA ASP 97 31.918 1.986 22.566 773 1HB ASP 97 2HB ASP 97 31.242 3.849 21.395 774 2HB ASP 97 1HB ASP 97 29.619 3.776 22.034 775 H ASN 98 H ASN 98 28.456 1.350 22.628 776 HA ASN 98 HA ASN 98 28.642 0.082 25.183 777 1HB ASN 98 2HB ASN 98 28.954 2.031 26.149 778 2HB ASN 98 1HB ASN 98 27.823 2.824 25.126 779 1HD2 ASN 98 2HD2 ASN 98 26.444 1.036 28.550 780 2HD2 ASN 98 1HD2 ASN 98 28.112 0.915 28.056 781 H GLY 99 H GLY 99 26.440 1.224 22.610 782 1HA GLY 99 1HA GLY 99 24.555 0.035 21.900 783 2HA GLY 99 2HA GLY 99 24.327 -0.709 23.427 784 H LYS 100 H LYS 100 23.908 2.173 21.586 785 HA LYS 100 HA LYS 100 22.473 3.694 23.753 786 1HB LYS 100 2HB LYS 100 24.000 4.324 21.421 787 2HB LYS 100 1HB LYS 100 22.402 4.993 21.283 788 1HG LYS 100 2HG LYS 100 23.580 6.660 22.544 789 2HG LYS 100 1HG LYS 100 23.045 5.613 23.956 790 1HD LYS 100 2HD LYS 100 25.131 4.232 23.524 791 2HD LYS 100 1HD LYS 100 25.640 5.394 22.406 792 1HE LYS 100 2HE LYS 100 26.558 5.389 24.871 793 2HE LYS 100 1HE LYS 100 26.231 6.935 24.137 794 1HZ LYS 100 3HZ LYS 100 24.151 5.619 25.727 795 2HZ LYS 100 2HZ LYS 100 25.363 6.587 26.433 796 3HZ LYS 100 1HZ LYS 100 24.300 7.227 25.284 797 H GLU 101 H GLU 101 20.772 5.102 22.266 798 HA GLU 101 HA GLU 101 19.438 3.293 20.420 799 1HB GLU 101 2HB GLU 101 17.796 4.085 22.829 800 2HB GLU 101 1HB GLU 101 17.154 3.550 21.318 801 1HG GLU 101 2HG GLU 101 18.291 1.299 21.528 802 2HG GLU 101 1HG GLU 101 19.078 1.884 22.891 803 H LEU 102 H LEU 102 20.620 5.086 19.515 804 HA LEU 102 HA LEU 102 19.979 7.701 19.022 805 1HB LEU 102 2HB LEU 102 20.402 5.326 17.177 806 2HB LEU 102 1HB LEU 102 20.170 6.987 16.516 807 HG LEU 102 HG LEU 102 22.120 7.054 18.633 808 1HD1 LEU 102 3HD1 LEU 102 22.420 4.667 17.719 809 2HD1 LEU 102 2HD1 LEU 102 23.193 5.475 16.305 810 3HD1 LEU 102 1HD1 LEU 102 23.858 5.727 17.944 811 1HD2 LEU 102 2HD2 LEU 102 22.066 7.523 15.532 812 2HD2 LEU 102 1HD2 LEU 102 21.800 8.785 16.752 813 3HD2 LEU 102 3HD2 LEU 102 23.405 8.076 16.601 814 H ILE 103 H ILE 103 18.599 4.790 17.445 815 HA ILE 103 HA ILE 103 16.607 4.218 16.738 816 HB ILE 103 HB ILE 103 16.206 6.071 19.063 817 1HG1 ILE 103 2HG1 ILE 103 16.145 3.945 19.731 818 2HG1 ILE 103 1HG1 ILE 103 14.440 4.342 19.604 819 1HG2 ILE 103 2HG2 ILE 103 14.646 7.230 17.551 820 2HG2 ILE 103 1HG2 ILE 103 13.705 5.698 17.427 821 3HG2 ILE 103 3HG2 ILE 103 13.951 6.550 18.998 822 1HD1 ILE 103 3HD1 ILE 103 15.222 3.184 17.127 823 2HD1 ILE 103 2HD1 ILE 103 15.755 2.166 18.417 824 3HD1 ILE 103 1HD1 ILE 103 14.056 2.540 18.345 825 H ALA 104 H ALA 104 18.121 6.789 15.727 826 HA ALA 104 HA ALA 104 16.919 8.778 14.563 827 1HB ALA 104 1HB ALA 104 19.097 7.530 13.773 828 2HB ALA 104 3HB ALA 104 18.039 6.817 12.500 829 3HB ALA 104 2HB ALA 104 18.235 8.594 12.639 830 H VAL 105 H VAL 105 14.697 8.367 14.903 831 HA VAL 105 HA VAL 105 13.292 6.497 13.083 832 HB VAL 105 HB VAL 105 12.223 8.767 14.764 833 1HG1 VAL 105 3HG1 VAL 105 10.939 6.809 13.005 834 2HG1 VAL 105 2HG1 VAL 105 10.289 6.623 14.669 835 3HG1 VAL 105 1HG1 VAL 105 10.217 8.192 13.908 836 1HG2 VAL 105 2HG2 VAL 105 12.842 5.936 15.706 837 2HG2 VAL 105 1HG2 VAL 105 12.977 7.539 16.517 838 3HG2 VAL 105 3HG2 VAL 105 11.431 6.784 16.266 839 H ARG 106 H ARG 106 11.550 9.284 13.126 840 HA ARG 106 HA ARG 106 12.167 11.254 11.430 841 1HB ARG 106 2HB ARG 106 12.598 8.878 9.953 842 2HB ARG 106 1HB ARG 106 11.076 9.533 9.347 843 1HG ARG 106 2HG ARG 106 11.830 11.127 8.335 844 2HG ARG 106 1HG ARG 106 12.643 11.802 9.662 845 1HD ARG 106 2HD ARG 106 13.900 9.500 8.087 846 2HD ARG 106 1HD ARG 106 14.088 11.220 7.526 847 HE ARG 106 HE ARG 106 14.935 11.445 10.003 848 1HH1 ARG 106 1HH2 ARG 106 15.543 8.613 7.806 849 2HH1 ARG 106 2HH2 ARG 106 17.014 8.255 8.601 850 1HH2 ARG 106 1HH1 ARG 106 16.901 10.846 10.976 851 2HH2 ARG 106 2HH1 ARG 106 17.767 9.451 10.332 852 H GLU 107 H GLU 107 10.450 8.303 11.938 853 HA GLU 107 HA GLU 107 8.404 7.753 12.543 854 1HB GLU 107 2HB GLU 107 8.923 10.482 13.446 855 2HB GLU 107 1HB GLU 107 7.116 10.039 13.347 856 1HG GLU 107 2HG GLU 107 8.412 7.917 14.658 857 2HG GLU 107 1HG GLU 107 9.173 9.231 15.335 858 H ILE 108 H ILE 108 8.098 11.139 11.669 859 HA ILE 108 HA ILE 108 7.217 12.379 10.051 860 HB ILE 108 HB ILE 108 7.951 10.491 8.581 861 1HG1 ILE 108 2HG1 ILE 108 5.593 12.302 7.899 862 2HG1 ILE 108 1HG1 ILE 108 7.290 12.783 8.145 863 1HG2 ILE 108 1HG2 ILE 108 4.942 9.737 8.888 864 2HG2 ILE 108 3HG2 ILE 108 5.525 9.903 7.238 865 3HG2 ILE 108 2HG2 ILE 108 6.327 8.759 8.280 866 1HD1 ILE 108 1HD1 ILE 108 7.208 10.655 6.094 867 2HD1 ILE 108 3HD1 ILE 108 6.138 12.042 5.674 868 3HD1 ILE 108 2HD1 ILE 108 7.817 12.349 6.019 869 H SER 109 H SER 109 5.371 13.422 10.039 870 HA SER 109 HA SER 109 2.853 12.194 10.309 871 1HB SER 109 2HB SER 109 3.451 11.487 12.577 872 2HB SER 109 1HB SER 109 4.342 12.980 12.844 873 HG SER 109 HG SER 109 2.411 13.394 13.850 874 H GLY 110 H GLY 110 1.935 13.482 9.118 875 1HA GLY 110 1HA GLY 110 0.954 15.346 8.240 876 2HA GLY 110 2HA GLY 110 0.978 15.973 9.950 877 H ASN 111 H ASN 111 2.884 15.715 6.988 878 HA ASN 111 HA ASN 111 4.583 17.091 6.231 879 1HB ASN 111 2HB ASN 111 3.798 19.447 7.734 880 2HB ASN 111 1HB ASN 111 4.492 19.210 6.134 881 1HD2 ASN 111 2HD2 ASN 111 0.897 20.104 5.561 882 2HD2 ASN 111 1HD2 ASN 111 2.360 20.907 6.124 883 H GLU 112 H GLU 112 5.383 15.386 8.311 884 HA GLU 112 HA GLU 112 7.386 17.133 9.721 885 1HB GLU 112 2HB GLU 112 5.509 15.086 10.692 886 2HB GLU 112 1HB GLU 112 7.131 14.628 11.091 887 1HG GLU 112 2HG GLU 112 5.815 16.120 12.867 888 2HG GLU 112 1HG GLU 112 7.454 16.477 12.607 889 H LEU 113 H LEU 113 8.867 15.303 10.640 890 HA LEU 113 HA LEU 113 9.449 12.890 9.375 891 1HB LEU 113 2HB LEU 113 11.308 15.210 8.550 892 2HB LEU 113 1HB LEU 113 11.874 13.568 8.819 893 HG LEU 113 HG LEU 113 9.924 14.348 6.633 894 1HD1 LEU 113 2HD1 LEU 113 12.823 14.187 7.007 895 2HD1 LEU 113 1HD1 LEU 113 12.380 12.870 5.958 896 3HD1 LEU 113 3HD1 LEU 113 11.899 14.566 5.582 897 1HD2 LEU 113 1HD2 LEU 113 9.877 11.799 7.877 898 2HD2 LEU 113 3HD2 LEU 113 9.625 12.093 6.121 899 3HD2 LEU 113 2HD2 LEU 113 11.198 11.630 6.677 900 H ILE 114 H ILE 114 8.982 14.209 11.905 901 HA ILE 114 HA ILE 114 10.775 14.674 13.688 902 HB ILE 114 HB ILE 114 9.507 12.181 14.590 903 1HG1 ILE 114 2HG1 ILE 114 7.985 12.909 12.307 904 2HG1 ILE 114 1HG1 ILE 114 7.625 11.844 13.569 905 1HG2 ILE 114 2HG2 ILE 114 10.096 14.379 15.627 906 2HG2 ILE 114 1HG2 ILE 114 8.364 14.702 15.463 907 3HG2 ILE 114 3HG2 ILE 114 8.856 13.232 16.255 908 1HD1 ILE 114 1HD1 ILE 114 7.027 14.879 13.949 909 2HD1 ILE 114 3HD1 ILE 114 6.075 13.923 12.841 910 3HD1 ILE 114 2HD1 ILE 114 6.050 13.477 14.525 911 H GLN 115 H GLN 115 12.723 14.113 12.965 912 HA GLN 115 HA GLN 115 13.977 11.651 12.379 913 1HB GLN 115 2HB GLN 115 14.662 14.374 13.478 914 2HB GLN 115 1HB GLN 115 15.967 13.156 13.254 915 1HG GLN 115 2HG GLN 115 14.024 13.576 10.958 916 2HG GLN 115 1HG GLN 115 15.018 15.003 11.322 917 1HE2 GLN 115 1HE2 GLN 115 15.397 13.751 8.919 918 2HE2 GLN 115 2HE2 GLN 115 16.961 12.978 8.867 919 H THR 116 H THR 116 12.757 12.867 15.283 920 HA THR 116 HA THR 116 13.262 12.283 17.580 921 HB THR 116 HB THR 116 11.824 10.010 16.154 922 HG1 THR 116 1HG THR 116 10.096 11.561 17.002 923 1HG2 THR 116 1HG2 THR 116 12.510 10.420 18.980 924 2HG2 THR 116 3HG2 THR 116 10.812 10.946 18.836 925 3HG2 THR 116 2HG2 THR 116 11.339 9.307 18.337 926 H TYR 117 H TYR 117 15.793 11.859 17.008 927 HA TYR 117 HA TYR 117 16.034 8.936 17.505 928 1HB TYR 117 2HB TYR 117 18.652 10.237 17.921 929 2HB TYR 117 1HB TYR 117 18.271 9.093 16.840 930 HD1 TYR 117 HD2 TYR 117 17.908 12.791 16.958 931 HD2 TYR 117 HD1 TYR 117 18.823 9.368 14.645 932 HE1 TYR 117 HE2 TYR 117 18.541 14.270 15.056 933 HE2 TYR 117 HE1 TYR 117 19.484 10.785 12.692 934 HH TYR 117 HH TYR 117 19.173 12.933 11.863 935 H THR 118 H THR 118 15.707 8.355 19.346 936 HA THR 118 HA THR 118 16.432 10.129 21.626 937 HB THR 118 HB THR 118 14.715 7.725 22.062 938 HG1 THR 118 1HG THR 118 13.052 9.204 21.504 939 1HG2 THR 118 3HG2 THR 118 15.884 9.837 23.606 940 2HG2 THR 118 2HG2 THR 118 14.379 10.588 23.086 941 3HG2 THR 118 1HG2 THR 118 14.315 9.075 24.060 942 H TYR 119 H TYR 119 18.746 9.148 21.133 943 HA TYR 119 HA TYR 119 19.531 6.440 21.843 944 1HB TYR 119 2HB TYR 119 21.698 7.255 22.189 945 2HB TYR 119 1HB TYR 119 21.001 8.001 20.700 946 HD1 TYR 119 HD2 TYR 119 19.918 10.583 21.232 947 HD2 TYR 119 HD1 TYR 119 22.649 8.497 23.811 948 HE1 TYR 119 HE2 TYR 119 20.417 12.621 22.360 949 HE2 TYR 119 HE1 TYR 119 23.133 10.597 24.958 950 HH TYR 119 HH TYR 119 22.089 13.678 23.716 951 H GLU 120 H GLU 120 18.157 8.832 23.943 952 HA GLU 120 HA GLU 120 18.784 6.992 26.085 953 1HB GLU 120 2HB GLU 120 20.821 7.424 26.531 954 2HB GLU 120 1HB GLU 120 20.870 8.640 25.259 955 1HG GLU 120 2HG GLU 120 21.475 10.055 26.848 956 2HG GLU 120 1HG GLU 120 19.760 10.292 26.921 957 H GLY 121 H GLY 121 16.590 8.854 25.027 958 1HA GLY 121 1HA GLY 121 14.761 9.532 26.298 959 2HA GLY 121 2HA GLY 121 15.693 9.837 27.659 960 H VAL 122 H VAL 122 17.002 10.920 24.670 961 HA VAL 122 HA VAL 122 16.562 13.753 25.392 962 HB VAL 122 HB VAL 122 18.643 12.274 23.698 963 1HG1 VAL 122 2HG1 VAL 122 17.906 15.132 23.879 964 2HG1 VAL 122 1HG1 VAL 122 19.610 14.886 24.374 965 3HG1 VAL 122 3HG1 VAL 122 19.007 14.353 22.764 966 1HG2 VAL 122 2HG2 VAL 122 18.702 13.761 26.415 967 2HG2 VAL 122 1HG2 VAL 122 18.894 11.992 26.245 968 3HG2 VAL 122 3HG2 VAL 122 20.150 13.093 25.655 969 H GLU 123 H GLU 123 17.004 11.758 22.435 970 HA GLU 123 HA GLU 123 15.897 11.788 20.310 971 1HB GLU 123 2HB GLU 123 13.759 12.553 21.962 972 2HB GLU 123 1HB GLU 123 14.133 14.103 21.366 973 1HG GLU 123 2HG GLU 123 14.040 13.301 18.981 974 2HG GLU 123 1HG GLU 123 13.746 11.769 19.491 975 H ALA 124 H ALA 124 16.466 12.742 18.593 976 HA ALA 124 HA ALA 124 16.778 15.678 18.781 977 1HB ALA 124 1HB ALA 124 19.015 13.838 18.257 978 2HB ALA 124 3HB ALA 124 18.722 14.891 16.844 979 3HB ALA 124 2HB ALA 124 19.104 15.585 18.480 980 H LYS 125 H LYS 125 15.700 16.751 17.395 981 HA LYS 125 HA LYS 125 15.288 15.557 14.766 982 1HB LYS 125 2HB LYS 125 12.622 16.190 15.778 983 2HB LYS 125 1HB LYS 125 13.224 14.744 14.976 984 1HG LYS 125 2HG LYS 125 12.571 14.019 17.292 985 2HG LYS 125 1HG LYS 125 14.253 14.084 17.263 986 1HD LYS 125 2HD LYS 125 13.068 15.165 19.211 987 2HD LYS 125 1HD LYS 125 14.288 16.124 18.524 988 1HE LYS 125 2HE LYS 125 12.535 17.477 17.217 989 2HE LYS 125 1HE LYS 125 11.266 16.582 18.097 990 1HZ LYS 125 1HZ LYS 125 12.522 17.302 20.128 991 2HZ LYS 125 3HZ LYS 125 13.307 18.454 19.169 992 3HZ LYS 125 2HZ LYS 125 11.639 18.497 19.361 993 H ARG 126 H ARG 126 12.911 17.338 14.280 994 HA ARG 126 HA ARG 126 12.721 19.885 15.123 995 1HB ARG 126 2HB ARG 126 15.284 19.615 13.756 996 2HB ARG 126 1HB ARG 126 14.179 20.951 13.258 997 1HG ARG 126 2HG ARG 126 14.723 20.375 16.253 998 2HG ARG 126 1HG ARG 126 15.738 21.562 15.329 999 1HD ARG 126 2HD ARG 126 14.120 23.018 15.731 1000 2HD ARG 126 1HD ARG 126 13.100 22.097 14.589 1001 HE ARG 126 HE ARG 126 12.890 20.625 16.860 1002 1HH1 ARG 126 1HH1 ARG 126 12.349 24.098 16.388 1003 2HH1 ARG 126 2HH1 ARG 126 11.198 24.123 17.688 1004 1HH2 ARG 126 2HH2 ARG 126 11.443 20.715 18.458 1005 2HH2 ARG 126 1HH2 ARG 126 10.653 22.186 18.901 1006 H ILE 127 H ILE 127 13.913 18.112 12.356 1007 HA ILE 127 HA ILE 127 12.335 17.027 10.865 1008 HB ILE 127 HB ILE 127 10.801 19.623 11.033 1009 1HG1 ILE 127 2HG1 ILE 127 9.079 18.132 11.646 1010 2HG1 ILE 127 1HG1 ILE 127 9.934 16.730 10.984 1011 1HG2 ILE 127 3HG2 ILE 127 10.966 19.207 8.682 1012 2HG2 ILE 127 2HG2 ILE 127 10.246 17.579 8.970 1013 3HG2 ILE 127 1HG2 ILE 127 9.322 19.029 9.244 1014 1HD1 ILE 127 3HD1 ILE 127 11.618 16.870 12.914 1015 2HD1 ILE 127 2HD1 ILE 127 10.489 17.998 13.751 1016 3HD1 ILE 127 1HD1 ILE 127 10.003 16.378 13.351 1017 H PHE 128 H PHE 128 12.017 17.068 8.841 1018 HA PHE 128 HA PHE 128 14.046 17.510 7.062 1019 1HB PHE 128 2HB PHE 128 12.308 16.957 5.414 1020 2HB PHE 128 1HB PHE 128 11.890 16.022 6.786 1021 HD1 PHE 128 HD2 PHE 128 11.085 19.416 5.335 1022 HD2 PHE 128 HD1 PHE 128 9.649 16.030 7.371 1023 HE1 PHE 128 HE2 PHE 128 8.915 20.389 5.097 1024 HE2 PHE 128 HE1 PHE 128 7.366 16.966 7.153 1025 HZ PHE 128 HZ PHE 128 6.953 19.137 6.029 1026 H LYS 129 H LYS 129 14.088 18.305 5.267 1027 HA LYS 129 HA LYS 129 13.121 21.065 5.026 1028 1HB LYS 129 2HB LYS 129 15.732 20.291 3.826 1029 2HB LYS 129 1HB LYS 129 14.702 21.703 3.427 1030 1HG LYS 129 2HG LYS 129 14.752 22.191 5.926 1031 2HG LYS 129 1HG LYS 129 16.038 20.998 6.017 1032 1HD LYS 129 2HD LYS 129 17.284 22.876 5.813 1033 2HD LYS 129 1HD LYS 129 17.279 22.253 4.199 1034 1HE LYS 129 2HE LYS 129 15.818 23.970 3.358 1035 2HE LYS 129 1HE LYS 129 15.102 24.280 4.943 1036 1HZ LYS 129 1HZ LYS 129 17.851 25.051 4.128 1037 2HZ LYS 129 3HZ LYS 129 16.473 26.055 4.257 1038 3HZ LYS 129 2HZ LYS 129 17.120 25.386 5.633 1039 H LYS 130 H LYS 130 12.801 18.055 4.061 1040 HA LYS 130 HA LYS 130 11.997 16.955 2.174 1041 1HB LYS 130 2HB LYS 130 10.141 17.003 2.762 1042 2HB LYS 130 1HB LYS 130 10.000 18.793 3.045 1043 1HG LYS 130 2HG LYS 130 10.161 17.677 0.290 1044 2HG LYS 130 1HG LYS 130 8.830 17.052 1.142 1045 1HD LYS 130 2HD LYS 130 8.714 19.919 1.587 1046 2HD LYS 130 1HD LYS 130 9.139 19.721 -0.098 1047 1HE LYS 130 2HE LYS 130 6.942 17.838 0.681 1048 2HE LYS 130 1HE LYS 130 6.477 19.526 0.966 1049 1HZ LYS 130 3HZ LYS 130 7.757 18.829 -1.565 1050 2HZ LYS 130 2HZ LYS 130 6.197 18.316 -1.332 1051 3HZ LYS 130 1HZ LYS 130 6.551 19.981 -1.198 1052 H GLU 131 H GLU 131 11.813 16.822 0.200 1053 HA GLU 131 HA GLU 131 12.237 19.174 -1.426 1054 1HB GLU 131 2HB GLU 131 14.346 18.289 -0.382 1055 2HB GLU 131 1HB GLU 131 14.434 17.149 -1.261 1056 1HG GLU 131 2HG GLU 131 14.770 20.000 -2.244 1057 2HG GLU 131 1HG GLU 131 15.973 18.705 -2.215 No H/Q in entry = 1057 Start of MODEL 10 1 1H ALA 1 2H ALA 1 4.277 7.407 3.955 2 2H ALA 1 1H ALA 1 2.711 7.526 4.418 3 3H ALA 1 3H ALA 1 3.188 8.096 2.929 4 HA ALA 1 HA ALA 1 3.056 10.038 4.104 5 1HB ALA 1 1HB ALA 1 3.105 8.189 6.230 6 2HB ALA 1 3HB ALA 1 4.731 8.845 6.342 7 3HB ALA 1 2HB ALA 1 3.369 9.962 6.523 8 H PHE 2 H PHE 2 6.081 8.209 5.165 9 HA PHE 2 HA PHE 2 7.648 10.438 3.994 10 1HB PHE 2 2HB PHE 2 9.539 8.593 4.357 11 2HB PHE 2 1HB PHE 2 9.066 9.971 5.437 12 HD1 PHE 2 HD1 PHE 2 7.702 6.479 4.756 13 HD2 PHE 2 HD2 PHE 2 9.084 9.325 7.668 14 HE1 PHE 2 HE1 PHE 2 7.194 4.903 6.586 15 HE2 PHE 2 HE2 PHE 2 8.602 7.822 9.447 16 HZ PHE 2 HZ PHE 2 7.627 5.526 8.953 17 H ASP 3 H ASP 3 7.555 10.578 1.872 18 HA ASP 3 HA ASP 3 8.862 8.532 0.129 19 1HB ASP 3 2HB ASP 3 6.936 9.837 -1.455 20 2HB ASP 3 1HB ASP 3 7.172 8.094 -1.026 21 H GLY 4 H GLY 4 9.806 9.743 -1.882 22 1HA GLY 4 1HA GLY 4 10.356 12.024 -2.773 23 2HA GLY 4 2HA GLY 4 9.696 12.633 -1.357 24 H THR 5 H THR 5 11.134 14.005 -1.222 25 HA THR 5 HA THR 5 13.938 13.658 -0.185 26 HB THR 5 HB THR 5 14.073 15.836 -0.512 27 HG1 THR 5 1HG THR 5 11.461 15.788 -1.642 28 1HG2 THR 5 1HG2 THR 5 13.813 13.910 -2.610 29 2HG2 THR 5 3HG2 THR 5 12.626 15.093 -3.151 30 3HG2 THR 5 2HG2 THR 5 14.344 15.586 -2.999 31 H TRP 6 H TRP 6 14.514 14.837 1.362 32 HA TRP 6 HA TRP 6 12.766 15.777 3.537 33 1HB TRP 6 2HB TRP 6 14.095 13.038 3.118 34 2HB TRP 6 1HB TRP 6 13.904 13.794 4.705 35 HD1 TRP 6 HD1 TRP 6 12.324 11.183 3.001 36 HE1 TRP 6 HE1 TRP 6 9.824 10.923 2.968 37 HE3 TRP 6 HE3 TRP 6 11.121 15.846 4.504 38 HZ2 TRP 6 HZ2 TRP 6 7.558 12.552 3.510 39 HZ3 TRP 6 HZ3 TRP 6 8.768 16.432 4.724 40 HH2 TRP 6 HH2 TRP 6 6.998 14.786 4.223 41 H LYS 7 H LYS 7 14.470 16.220 5.431 42 HA LYS 7 HA LYS 7 17.321 15.984 4.581 43 1HB LYS 7 2HB LYS 7 16.311 18.660 5.013 44 2HB LYS 7 1HB LYS 7 17.744 18.145 4.252 45 1HG LYS 7 2HG LYS 7 16.434 17.093 2.448 46 2HG LYS 7 1HG LYS 7 14.953 17.573 2.891 47 1HD LYS 7 2HD LYS 7 15.404 19.154 1.271 48 2HD LYS 7 1HD LYS 7 16.329 20.087 2.355 49 1HE LYS 7 2HE LYS 7 18.402 19.271 1.801 50 2HE LYS 7 1HE LYS 7 17.845 17.838 1.005 51 1HZ LYS 7 1HZ LYS 7 16.892 20.278 -0.208 52 2HZ LYS 7 3HZ LYS 7 18.570 20.259 -0.110 53 3HZ LYS 7 2HZ LYS 7 17.801 18.993 -0.892 54 H VAL 8 H VAL 8 17.697 18.508 6.255 55 HA VAL 8 HA VAL 8 16.429 17.809 8.800 56 HB VAL 8 HB VAL 8 19.269 17.537 8.489 57 1HG1 VAL 8 1HG1 VAL 8 17.852 19.173 10.528 58 2HG1 VAL 8 3HG1 VAL 8 18.467 17.725 11.257 59 3HG1 VAL 8 2HG1 VAL 8 19.568 18.895 10.441 60 1HG2 VAL 8 1HG2 VAL 8 16.998 15.934 9.508 61 2HG2 VAL 8 3HG2 VAL 8 18.540 15.343 8.788 62 3HG2 VAL 8 2HG2 VAL 8 18.515 15.836 10.454 63 H ASP 9 H ASP 9 15.355 19.643 7.761 64 HA ASP 9 HA ASP 9 16.344 22.207 7.199 65 1HB ASP 9 2HB ASP 9 14.062 21.063 7.268 66 2HB ASP 9 1HB ASP 9 14.028 21.446 8.934 67 H ARG 10 H ARG 10 15.674 20.657 10.450 68 HA ARG 10 HA ARG 10 17.115 23.132 11.440 69 1HB ARG 10 2HB ARG 10 15.408 23.568 13.049 70 2HB ARG 10 1HB ARG 10 14.928 23.692 11.381 71 1HG ARG 10 2HG ARG 10 13.945 21.312 11.522 72 2HG ARG 10 1HG ARG 10 14.286 21.388 13.256 73 1HD ARG 10 2HD ARG 10 12.742 23.760 12.362 74 2HD ARG 10 1HD ARG 10 11.873 22.211 12.069 75 HE ARG 10 HE ARG 10 12.715 21.989 14.665 76 1HH1 ARG 10 1HH2 ARG 10 11.033 24.573 12.834 77 2HH1 ARG 10 2HH2 ARG 10 10.148 25.124 14.255 78 1HH2 ARG 10 1HH1 ARG 10 11.468 22.839 16.463 79 2HH2 ARG 10 2HH1 ARG 10 10.371 24.189 16.214 80 H ASN 11 H ASN 11 15.916 22.128 14.195 81 HA ASN 11 HA ASN 11 17.101 19.690 14.694 82 1HB ASN 11 2HB ASN 11 18.923 20.357 16.209 83 2HB ASN 11 1HB ASN 11 19.226 20.277 14.527 84 1HD2 ASN 11 1HD2 ASN 11 20.517 23.509 16.451 85 2HD2 ASN 11 2HD2 ASN 11 20.260 21.896 17.019 86 H GLU 12 H GLU 12 16.235 18.906 16.242 87 HA GLU 12 HA GLU 12 14.395 20.389 18.059 88 1HB GLU 12 2HB GLU 12 15.133 17.553 17.399 89 2HB GLU 12 1HB GLU 12 14.188 17.891 18.779 90 1HG GLU 12 2HG GLU 12 13.478 19.254 16.130 91 2HG GLU 12 1HG GLU 12 13.168 17.578 16.185 92 H ASN 13 H ASN 13 15.570 17.383 19.446 93 HA ASN 13 HA ASN 13 16.817 18.572 21.772 94 1HB ASN 13 2HB ASN 13 16.219 15.829 20.888 95 2HB ASN 13 1HB ASN 13 17.847 15.972 21.456 96 1HD2 ASN 13 1HD2 ASN 13 14.495 16.675 23.841 97 2HD2 ASN 13 2HD2 ASN 13 14.419 16.847 22.101 98 H TYR 14 H TYR 14 18.387 16.459 19.225 99 HA TYR 14 HA TYR 14 19.625 18.778 17.984 100 1HB TYR 14 2HB TYR 14 21.498 18.946 19.242 101 2HB TYR 14 1HB TYR 14 20.118 19.623 19.912 102 HD1 TYR 14 HD1 TYR 14 22.522 16.923 20.306 103 HD2 TYR 14 HD2 TYR 14 18.925 18.353 22.080 104 HE1 TYR 14 HE1 TYR 14 22.822 15.369 22.250 105 HE2 TYR 14 HE2 TYR 14 19.146 16.682 23.791 106 HH TYR 14 HH TYR 14 20.893 15.466 25.018 107 H GLU 15 H GLU 15 21.952 18.715 17.477 108 HA GLU 15 HA GLU 15 22.803 16.230 16.191 109 1HB GLU 15 2HB GLU 15 23.440 17.894 14.916 110 2HB GLU 15 1HB GLU 15 23.871 18.989 16.262 111 1HG GLU 15 2HG GLU 15 25.984 17.909 16.579 112 2HG GLU 15 1HG GLU 15 25.405 16.380 15.871 113 H LYS 16 H LYS 16 23.608 18.228 18.992 114 HA LYS 16 HA LYS 16 25.797 17.091 20.303 115 1HB LYS 16 2HB LYS 16 23.574 18.707 20.913 116 2HB LYS 16 1HB LYS 16 23.641 17.469 22.125 117 1HG LYS 16 2HG LYS 16 26.377 18.582 21.516 118 2HG LYS 16 1HG LYS 16 25.153 19.688 22.261 119 1HD LYS 16 2HD LYS 16 25.481 16.949 23.462 120 2HD LYS 16 1HD LYS 16 26.734 18.071 23.658 121 1HE LYS 16 2HE LYS 16 23.868 18.713 24.443 122 2HE LYS 16 1HE LYS 16 25.061 18.083 25.595 123 1HZ LYS 16 2HZ LYS 16 26.440 20.016 25.037 124 2HZ LYS 16 1HZ LYS 16 25.203 20.644 24.079 125 3HZ LYS 16 3HZ LYS 16 24.961 20.411 25.746 126 H PHE 17 H PHE 17 22.810 15.381 19.565 127 HA PHE 17 HA PHE 17 22.586 13.480 21.644 128 1HB PHE 17 2HB PHE 17 20.724 13.125 20.579 129 2HB PHE 17 1HB PHE 17 21.207 14.353 19.453 130 HD1 PHE 17 HD2 PHE 17 21.921 10.764 20.100 131 HD2 PHE 17 HD1 PHE 17 21.518 13.849 17.151 132 HE1 PHE 17 HE2 PHE 17 22.364 9.140 18.362 133 HE2 PHE 17 HE1 PHE 17 21.929 12.252 15.397 134 HZ PHE 17 HZ PHE 17 22.391 9.919 15.886 135 H MET 18 H MET 18 24.461 13.954 18.800 136 HA MET 18 HA MET 18 25.374 11.314 18.034 137 1HB MET 18 2HB MET 18 26.229 14.218 17.495 138 2HB MET 18 1HB MET 18 27.069 12.807 16.798 139 1HG MET 18 2HG MET 18 24.112 12.632 16.480 140 2HG MET 18 1HG MET 18 24.619 14.223 16.145 141 1HE MET 18 3HE MET 18 23.724 14.507 14.126 142 2HE MET 18 2HE MET 18 24.161 13.674 12.634 143 3HE MET 18 1HE MET 18 23.127 12.828 13.864 144 H GLU 19 H GLU 19 26.691 14.279 19.322 145 HA GLU 19 HA GLU 19 29.303 13.695 19.899 146 1HB GLU 19 2HB GLU 19 27.567 15.796 20.295 147 2HB GLU 19 1HB GLU 19 27.644 15.209 21.923 148 1HG GLU 19 2HG GLU 19 29.326 16.808 21.844 149 2HG GLU 19 1HG GLU 19 30.079 15.221 21.987 150 H LYS 20 H LYS 20 26.379 13.239 21.829 151 HA LYS 20 HA LYS 20 27.794 12.727 24.224 152 1HB LYS 20 2HB LYS 20 24.892 12.381 23.428 153 2HB LYS 20 1HB LYS 20 25.542 12.303 25.103 154 1HG LYS 20 2HG LYS 20 26.461 14.623 23.577 155 2HG LYS 20 1HG LYS 20 24.708 14.622 24.077 156 1HD LYS 20 2HD LYS 20 27.061 13.935 25.871 157 2HD LYS 20 1HD LYS 20 26.415 15.541 25.773 158 1HE LYS 20 2HE LYS 20 24.492 14.981 27.050 159 2HE LYS 20 1HE LYS 20 24.494 13.288 26.420 160 1HZ LYS 20 2HZ LYS 20 26.477 12.944 27.761 161 2HZ LYS 20 1HZ LYS 20 26.365 14.521 28.346 162 3HZ LYS 20 3HZ LYS 20 25.140 13.443 28.700 163 H MET 21 H MET 21 26.864 10.814 21.497 164 HA MET 21 HA MET 21 26.832 8.197 22.832 165 1HB MET 21 2HB MET 21 27.649 8.177 20.052 166 2HB MET 21 1HB MET 21 26.475 7.148 20.973 167 1HG MET 21 2HG MET 21 25.100 9.531 20.871 168 2HG MET 21 1HG MET 21 25.925 9.425 19.276 169 1HE MET 21 3HE MET 21 22.967 9.286 20.743 170 2HE MET 21 2HE MET 21 22.076 7.785 20.285 171 3HE MET 21 1HE MET 21 23.250 7.760 21.654 172 H GLY 22 H GLY 22 29.075 10.508 21.716 173 1HA GLY 22 1HA GLY 22 31.428 10.416 22.550 174 2HA GLY 22 2HA GLY 22 31.486 8.747 21.992 175 H ILE 23 H ILE 23 29.765 10.999 19.989 176 HA ILE 23 HA ILE 23 31.345 10.558 17.690 177 HB ILE 23 HB ILE 23 29.125 12.298 18.560 178 1HG1 ILE 23 2HG1 ILE 23 28.006 11.159 16.654 179 2HG1 ILE 23 1HG1 ILE 23 29.583 10.665 16.023 180 1HG2 ILE 23 2HG2 ILE 23 30.977 13.387 16.596 181 2HG2 ILE 23 1HG2 ILE 23 29.400 13.007 15.824 182 3HG2 ILE 23 3HG2 ILE 23 29.470 14.031 17.240 183 1HD1 ILE 23 1HD1 ILE 23 28.909 9.689 18.843 184 2HD1 ILE 23 3HD1 ILE 23 27.868 9.115 17.531 185 3HD1 ILE 23 2HD1 ILE 23 29.604 8.808 17.471 186 H ASN 24 H ASN 24 33.339 11.314 17.301 187 HA ASN 24 HA ASN 24 34.967 12.905 18.822 188 1HB ASN 24 2HB ASN 24 35.188 12.102 16.104 189 2HB ASN 24 1HB ASN 24 36.200 13.445 16.710 190 1HD2 ASN 24 2HD2 ASN 24 37.003 9.623 17.649 191 2HD2 ASN 24 1HD2 ASN 24 35.844 10.155 16.464 192 H VAL 25 H VAL 25 35.875 14.917 18.641 193 HA VAL 25 HA VAL 25 33.908 17.000 18.493 194 HB VAL 25 HB VAL 25 34.910 18.463 19.363 195 1HG1 VAL 25 3HG1 VAL 25 34.307 16.370 20.743 196 2HG1 VAL 25 2HG1 VAL 25 36.031 15.890 20.648 197 3HG1 VAL 25 1HG1 VAL 25 35.526 17.375 21.489 198 1HG2 VAL 25 3HG2 VAL 25 37.296 17.672 18.053 199 2HG2 VAL 25 2HG2 VAL 25 37.226 18.848 19.369 200 3HG2 VAL 25 1HG2 VAL 25 37.630 17.134 19.709 201 H VAL 26 H VAL 26 36.125 16.030 15.917 202 HA VAL 26 HA VAL 26 36.508 18.530 14.723 203 HB VAL 26 HB VAL 26 36.641 17.263 12.550 204 1HG1 VAL 26 2HG1 VAL 26 38.467 18.220 14.074 205 2HG1 VAL 26 1HG1 VAL 26 38.688 16.591 14.745 206 3HG1 VAL 26 3HG1 VAL 26 38.973 16.924 13.002 207 1HG2 VAL 26 1HG2 VAL 26 35.540 15.157 13.613 208 2HG2 VAL 26 3HG2 VAL 26 37.079 14.827 12.829 209 3HG2 VAL 26 2HG2 VAL 26 36.973 14.933 14.609 210 H LYS 27 H LYS 27 33.766 16.626 15.055 211 HA LYS 27 HA LYS 27 32.170 17.756 12.878 212 1HB LYS 27 2HB LYS 27 31.731 15.559 13.354 213 2HB LYS 27 1HB LYS 27 31.676 15.843 15.092 214 1HG LYS 27 2HG LYS 27 29.613 16.916 15.086 215 2HG LYS 27 1HG LYS 27 29.745 17.473 13.497 216 1HD LYS 27 2HD LYS 27 29.590 14.474 13.713 217 2HD LYS 27 1HD LYS 27 28.193 15.269 14.329 218 1HE LYS 27 2HE LYS 27 28.396 16.707 11.967 219 2HE LYS 27 1HE LYS 27 29.277 15.298 11.484 220 1HZ LYS 27 1HZ LYS 27 26.547 15.053 12.664 221 2HZ LYS 27 3HZ LYS 27 26.847 15.437 11.030 222 3HZ LYS 27 2HZ LYS 27 27.391 13.977 11.688 223 H ARG 28 H ARG 28 32.927 18.323 16.266 224 HA ARG 28 HA ARG 28 30.821 20.030 17.048 225 1HB ARG 28 2HB ARG 28 33.623 20.225 18.096 226 2HB ARG 28 1HB ARG 28 32.128 21.038 18.674 227 1HG ARG 28 2HG ARG 28 31.935 18.080 18.402 228 2HG ARG 28 1HG ARG 28 32.956 18.727 19.700 229 1HD ARG 28 2HD ARG 28 29.980 19.186 19.166 230 2HD ARG 28 1HD ARG 28 30.666 18.499 20.543 231 HE ARG 28 HE ARG 28 31.602 21.097 20.691 232 1HH1 ARG 28 2HH1 ARG 28 28.474 19.426 20.353 233 2HH1 ARG 28 1HH1 ARG 28 27.562 20.624 21.222 234 1HH2 ARG 28 2HH2 ARG 28 30.466 22.597 21.763 235 2HH2 ARG 28 1HH2 ARG 28 28.760 22.576 22.090 236 H LYS 29 H LYS 29 33.678 20.571 15.126 237 HA LYS 29 HA LYS 29 34.241 23.285 15.306 238 1HB LYS 29 2HB LYS 29 34.171 21.759 12.737 239 2HB LYS 29 1HB LYS 29 35.071 23.295 13.102 240 1HG LYS 29 2HG LYS 29 35.570 20.507 14.262 241 2HG LYS 29 1HG LYS 29 36.644 21.471 13.272 242 1HD LYS 29 2HD LYS 29 35.606 22.199 16.088 243 2HD LYS 29 1HD LYS 29 37.099 21.349 15.815 244 1HE LYS 29 2HE LYS 29 37.029 23.814 14.200 245 2HE LYS 29 1HE LYS 29 36.701 24.166 15.943 246 1HZ LYS 29 1HZ LYS 29 38.702 22.770 16.366 247 2HZ LYS 29 3HZ LYS 29 39.013 22.761 14.736 248 3HZ LYS 29 2HZ LYS 29 38.956 24.247 15.591 249 H LEU 30 H LEU 30 31.808 21.821 13.206 250 HA LEU 30 HA LEU 30 30.472 24.526 13.068 251 1HB LEU 30 2HB LEU 30 29.956 22.279 11.095 252 2HB LEU 30 1HB LEU 30 29.506 23.983 11.001 253 HG LEU 30 HG LEU 30 31.298 23.829 9.450 254 1HD1 LEU 30 3HD1 LEU 30 31.808 25.278 11.776 255 2HD1 LEU 30 2HD1 LEU 30 33.285 24.280 11.605 256 3HD1 LEU 30 1HD1 LEU 30 32.840 25.362 10.311 257 1HD2 LEU 30 1HD2 LEU 30 32.444 21.697 11.303 258 2HD2 LEU 30 3HD2 LEU 30 32.169 21.624 9.568 259 3HD2 LEU 30 2HD2 LEU 30 33.520 22.589 10.262 260 H GLY 31 H GLY 31 29.944 21.001 13.204 261 1HA GLY 31 1HA GLY 31 28.223 19.716 14.000 262 2HA GLY 31 2HA GLY 31 28.206 20.833 15.373 263 H ALA 32 H ALA 32 26.188 21.319 15.773 264 HA ALA 32 HA ALA 32 23.795 21.002 14.614 265 1HB ALA 32 2HB ALA 32 24.702 23.379 16.195 266 2HB ALA 32 1HB ALA 32 23.023 22.995 15.646 267 3HB ALA 32 3HB ALA 32 23.920 21.843 16.686 268 H HIS 33 H HIS 33 24.141 21.144 12.237 269 HA HIS 33 HA HIS 33 23.226 23.538 10.927 270 1HB HIS 33 2HB HIS 33 25.874 23.907 11.505 271 2HB HIS 33 1HB HIS 33 26.079 22.599 10.317 272 HD1 HIS 33 HD1 HIS 33 23.503 25.457 9.846 273 HD2 HIS 33 HD2 HIS 33 27.298 24.180 8.418 274 HE1 HIS 33 HE1 HIS 33 24.089 26.854 7.860 275 HE2 HIS 33 HE2 HIS 33 26.372 26.100 6.982 276 H ASP 34 H ASP 34 24.754 20.265 10.681 277 HA ASP 34 HA ASP 34 24.942 19.869 8.078 278 1HB ASP 34 2HB ASP 34 23.619 17.591 8.662 279 2HB ASP 34 1HB ASP 34 25.346 17.907 8.785 280 H ASN 35 H ASN 35 24.036 19.580 6.357 281 HA ASN 35 HA ASN 35 21.085 19.941 5.917 282 1HB ASN 35 2HB ASN 35 23.410 21.493 5.207 283 2HB ASN 35 1HB ASN 35 22.763 20.790 3.728 284 1HD2 ASN 35 1HD2 ASN 35 19.734 22.531 3.504 285 2HD2 ASN 35 2HD2 ASN 35 20.639 21.139 3.001 286 H LEU 36 H LEU 36 20.988 17.460 5.883 287 HA LEU 36 HA LEU 36 22.097 16.483 3.280 288 1HB LEU 36 2HB LEU 36 22.807 14.557 4.106 289 2HB LEU 36 1HB LEU 36 23.084 15.599 5.489 290 HG LEU 36 HG LEU 36 20.699 13.835 5.119 291 1HD1 LEU 36 3HD1 LEU 36 23.303 13.252 6.576 292 2HD1 LEU 36 2HD1 LEU 36 21.879 12.263 6.764 293 3HD1 LEU 36 1HD1 LEU 36 22.665 12.374 5.159 294 1HD2 LEU 36 2HD2 LEU 36 20.771 15.851 6.957 295 2HD2 LEU 36 1HD2 LEU 36 20.310 14.240 7.573 296 3HD2 LEU 36 3HD2 LEU 36 21.964 14.797 7.785 297 H LYS 37 H LYS 37 20.604 15.851 1.975 298 HA LYS 37 HA LYS 37 17.871 15.883 2.777 299 1HB LYS 37 2HB LYS 37 18.973 16.126 0.337 300 2HB LYS 37 1HB LYS 37 18.768 14.386 0.345 301 1HG LYS 37 2HG LYS 37 16.369 14.733 0.806 302 2HG LYS 37 1HG LYS 37 16.607 16.528 0.515 303 1HD LYS 37 2HD LYS 37 17.079 14.153 -1.279 304 2HD LYS 37 1HD LYS 37 15.870 15.411 -1.527 305 1HE LYS 37 2HE LYS 37 18.063 17.026 -1.587 306 2HE LYS 37 1HE LYS 37 18.932 15.525 -1.932 307 1HZ LYS 37 2HZ LYS 37 16.673 15.796 -3.589 308 2HZ LYS 37 1HZ LYS 37 17.693 17.127 -3.672 309 3HZ LYS 37 3HZ LYS 37 18.304 15.589 -4.001 310 H LEU 38 H LEU 38 17.568 14.109 4.571 311 HA LEU 38 HA LEU 38 18.814 11.614 4.481 312 1HB LEU 38 2HB LEU 38 16.394 12.597 5.812 313 2HB LEU 38 1HB LEU 38 15.829 11.430 4.747 314 HG LEU 38 HG LEU 38 16.036 10.500 6.839 315 1HD1 LEU 38 2HD1 LEU 38 18.068 9.556 4.715 316 2HD1 LEU 38 1HD1 LEU 38 17.769 8.584 6.180 317 3HD1 LEU 38 3HD1 LEU 38 16.446 8.925 5.032 318 1HD2 LEU 38 2HD2 LEU 38 18.407 12.104 7.027 319 2HD2 LEU 38 1HD2 LEU 38 17.926 10.900 8.208 320 3HD2 LEU 38 3HD2 LEU 38 19.041 10.435 6.871 321 H THR 39 H THR 39 15.955 13.042 3.115 322 HA THR 39 HA THR 39 14.675 12.804 1.363 323 HB THR 39 HB THR 39 16.579 10.776 0.092 324 HG1 THR 39 1HG THR 39 17.820 12.629 -0.435 325 1HG2 THR 39 1HG2 THR 39 14.515 11.735 -1.282 326 2HG2 THR 39 3HG2 THR 39 15.407 13.296 -1.330 327 3HG2 THR 39 2HG2 THR 39 16.093 11.851 -2.016 328 H ILE 40 H ILE 40 12.981 10.933 0.726 329 HA ILE 40 HA ILE 40 13.870 8.280 1.685 330 HB ILE 40 HB ILE 40 11.408 9.471 2.919 331 1HG1 ILE 40 2HG1 ILE 40 14.081 8.573 4.119 332 2HG1 ILE 40 1HG1 ILE 40 13.696 10.250 3.941 333 1HG2 ILE 40 3HG2 ILE 40 11.422 6.942 2.272 334 2HG2 ILE 40 2HG2 ILE 40 12.627 6.794 3.546 335 3HG2 ILE 40 1HG2 ILE 40 11.005 7.428 3.916 336 1HD1 ILE 40 3HD1 ILE 40 11.523 9.156 5.453 337 2HD1 ILE 40 2HD1 ILE 40 12.998 8.434 6.148 338 3HD1 ILE 40 1HD1 ILE 40 12.799 10.176 6.088 339 H THR 41 H THR 41 13.479 6.849 0.332 340 HA THR 41 HA THR 41 10.964 6.962 -1.297 341 HB THR 41 HB THR 41 13.060 5.489 -2.649 342 HG1 THR 41 1HG THR 41 13.514 7.954 -1.822 343 1HG2 THR 41 2HG2 THR 41 10.583 6.112 -3.181 344 2HG2 THR 41 1HG2 THR 41 11.209 7.721 -3.622 345 3HG2 THR 41 3HG2 THR 41 11.714 6.253 -4.506 346 H GLN 42 H GLN 42 10.004 5.656 0.177 347 HA GLN 42 HA GLN 42 10.727 3.150 1.237 348 1HB GLN 42 2HB GLN 42 8.277 2.773 1.198 349 2HB GLN 42 1HB GLN 42 8.695 4.363 1.877 350 1HG GLN 42 2HG GLN 42 7.029 5.115 0.475 351 2HG GLN 42 1HG GLN 42 8.239 5.023 -0.759 352 1HE2 GLN 42 2HE2 GLN 42 6.421 2.760 -2.721 353 2HE2 GLN 42 1HE2 GLN 42 7.643 3.970 -2.610 354 H GLU 43 H GLU 43 10.977 1.316 0.352 355 HA GLU 43 HA GLU 43 9.956 0.611 -2.364 356 1HB GLU 43 2HB GLU 43 12.660 1.126 -1.429 357 2HB GLU 43 1HB GLU 43 12.421 -0.459 -2.225 358 1HG GLU 43 2HG GLU 43 11.968 0.451 -4.334 359 2HG GLU 43 1HG GLU 43 11.268 1.963 -3.564 360 H GLY 44 H GLY 44 10.612 -1.922 -2.484 361 1HA GLY 44 1HA GLY 44 9.020 -3.442 -0.812 362 2HA GLY 44 2HA GLY 44 10.529 -4.018 -1.661 363 H ASN 45 H ASN 45 9.087 -2.605 1.157 364 HA ASN 45 HA ASN 45 9.563 -2.495 3.325 365 1HB ASN 45 2HB ASN 45 11.747 -4.611 2.754 366 2HB ASN 45 1HB ASN 45 11.053 -4.162 4.356 367 1HD2 ASN 45 1HD2 ASN 45 9.094 -7.081 3.797 368 2HD2 ASN 45 2HD2 ASN 45 10.492 -6.438 4.573 369 H LYS 46 H LYS 46 12.856 -2.852 1.755 370 HA LYS 46 HA LYS 46 13.990 -0.921 3.557 371 1HB LYS 46 2HB LYS 46 15.832 -1.218 2.390 372 2HB LYS 46 1HB LYS 46 14.913 -2.479 1.508 373 1HG LYS 46 2HG LYS 46 15.714 0.251 0.447 374 2HG LYS 46 1HG LYS 46 16.064 -1.326 -0.141 375 1HD LYS 46 2HD LYS 46 13.112 -0.731 -0.170 376 2HD LYS 46 1HD LYS 46 14.225 0.147 -1.255 377 1HE LYS 46 2HE LYS 46 14.300 -1.585 -2.657 378 2HE LYS 46 1HE LYS 46 15.154 -2.499 -1.432 379 1HZ LYS 46 3HZ LYS 46 12.283 -2.471 -1.269 380 2HZ LYS 46 2HZ LYS 46 13.015 -3.305 -2.566 381 3HZ LYS 46 1HZ LYS 46 13.369 -3.751 -0.986 382 H PHE 47 H PHE 47 15.298 0.853 2.240 383 HA PHE 47 HA PHE 47 13.541 2.187 0.379 384 1HB PHE 47 2HB PHE 47 14.088 4.251 2.311 385 2HB PHE 47 1HB PHE 47 12.546 3.822 1.501 386 HD1 PHE 47 HD1 PHE 47 11.063 1.963 2.888 387 HD2 PHE 47 HD2 PHE 47 14.521 3.918 4.558 388 HE1 PHE 47 HE1 PHE 47 10.382 1.316 5.083 389 HE2 PHE 47 HE2 PHE 47 13.830 3.270 6.763 390 HZ PHE 47 HZ PHE 47 11.745 1.951 7.087 391 H THR 48 H THR 48 14.437 3.473 -0.883 392 HA THR 48 HA THR 48 17.321 3.827 -0.917 393 HB THR 48 HB THR 48 14.985 4.695 -2.676 394 HG1 THR 48 1HG THR 48 15.773 2.505 -2.807 395 1HG2 THR 48 1HG2 THR 48 17.818 5.725 -2.747 396 2HG2 THR 48 3HG2 THR 48 17.144 5.239 -4.338 397 3HG2 THR 48 2HG2 THR 48 16.345 6.460 -3.316 398 H VAL 49 H VAL 49 17.462 4.926 1.066 399 HA VAL 49 HA VAL 49 16.200 7.671 1.001 400 HB VAL 49 HB VAL 49 16.393 7.800 3.235 401 1HG1 VAL 49 3HG1 VAL 49 15.742 5.183 2.568 402 2HG1 VAL 49 2HG1 VAL 49 17.019 4.927 3.739 403 3HG1 VAL 49 1HG1 VAL 49 15.607 5.893 4.197 404 1HG2 VAL 49 1HG2 VAL 49 18.963 7.872 3.217 405 2HG2 VAL 49 3HG2 VAL 49 18.280 6.995 4.617 406 3HG2 VAL 49 2HG2 VAL 49 18.974 6.125 3.250 407 H LYS 50 H LYS 50 17.636 9.461 0.976 408 HA LYS 50 HA LYS 50 20.157 8.715 -0.452 409 1HB LYS 50 2HB LYS 50 19.078 11.424 0.316 410 2HB LYS 50 1HB LYS 50 20.612 11.212 -0.541 411 1HG LYS 50 2HG LYS 50 19.363 9.959 -2.332 412 2HG LYS 50 1HG LYS 50 17.839 10.645 -1.627 413 1HD LYS 50 2HD LYS 50 18.372 12.409 -3.038 414 2HD LYS 50 1HD LYS 50 19.664 12.760 -1.788 415 1HE LYS 50 2HE LYS 50 20.903 12.564 -3.806 416 2HE LYS 50 1HE LYS 50 20.984 10.914 -3.139 417 1HZ LYS 50 3HZ LYS 50 18.656 11.370 -4.734 418 2HZ LYS 50 2HZ LYS 50 20.104 11.575 -5.585 419 3HZ LYS 50 1HZ LYS 50 19.823 10.156 -4.746 420 H GLU 51 H GLU 51 20.420 11.489 1.620 421 HA GLU 51 HA GLU 51 21.140 11.503 3.817 422 1HB GLU 51 2HB GLU 51 21.517 8.813 3.799 423 2HB GLU 51 1HB GLU 51 23.014 9.136 3.049 424 1HG GLU 51 2HG GLU 51 23.888 10.117 4.969 425 2HG GLU 51 1HG GLU 51 22.278 10.559 5.639 426 H SER 52 H SER 52 21.843 13.189 1.921 427 HA SER 52 HA SER 52 24.834 12.985 1.581 428 1HB SER 52 2HB SER 52 24.239 14.576 -0.383 429 2HB SER 52 1HB SER 52 23.900 12.777 -0.570 430 HG SER 52 HG SER 52 22.165 13.967 -1.147 431 H SER 53 H SER 53 25.262 14.071 3.476 432 HA SER 53 HA SER 53 24.050 16.695 3.786 433 1HB SER 53 2HB SER 53 24.714 16.641 5.894 434 2HB SER 53 1HB SER 53 24.906 14.930 5.536 435 HG SER 53 HG SER 53 26.797 16.725 6.224 436 H ASN 54 H ASN 54 26.383 18.078 4.867 437 HA ASN 54 HA ASN 54 27.683 18.793 2.308 438 1HB ASN 54 2HB ASN 54 26.948 20.185 4.491 439 2HB ASN 54 1HB ASN 54 28.608 19.756 5.008 440 1HD2 ASN 54 2HD2 ASN 54 28.062 22.611 2.046 441 2HD2 ASN 54 1HD2 ASN 54 26.734 21.664 2.623 442 H PHE 55 H PHE 55 28.244 15.954 3.614 443 HA PHE 55 HA PHE 55 31.181 16.403 3.737 444 1HB PHE 55 2HB PHE 55 29.965 14.259 5.447 445 2HB PHE 55 1HB PHE 55 31.512 15.164 5.582 446 HD1 PHE 55 HD1 PHE 55 30.831 17.946 5.918 447 HD2 PHE 55 HD2 PHE 55 28.564 14.535 7.201 448 HE1 PHE 55 HE1 PHE 55 29.721 19.335 7.651 449 HE2 PHE 55 HE2 PHE 55 27.475 15.903 8.925 450 HZ PHE 55 HZ PHE 55 28.067 18.301 9.128 451 H ARG 56 H ARG 56 28.580 13.971 3.890 452 HA ARG 56 HA ARG 56 30.197 12.527 1.829 453 1HB ARG 56 2HB ARG 56 29.718 11.727 4.495 454 2HB ARG 56 1HB ARG 56 28.641 10.697 3.522 455 1HG ARG 56 2HG ARG 56 30.796 9.551 3.767 456 2HG ARG 56 1HG ARG 56 30.562 10.013 2.086 457 1HD ARG 56 2HD ARG 56 32.763 10.575 2.440 458 2HD ARG 56 1HD ARG 56 31.925 12.130 2.649 459 HE ARG 56 HE ARG 56 31.990 11.123 5.224 460 1HH1 ARG 56 1HH1 ARG 56 34.499 11.869 2.707 461 2HH1 ARG 56 2HH1 ARG 56 35.668 12.225 3.909 462 1HH2 ARG 56 2HH2 ARG 56 33.591 11.612 6.624 463 2HH2 ARG 56 1HH2 ARG 56 35.190 12.087 6.143 464 H ASN 57 H ASN 57 29.071 12.812 0.200 465 HA ASN 57 HA ASN 57 26.155 12.773 0.152 466 1HB ASN 57 2HB ASN 57 26.574 14.120 -1.525 467 2HB ASN 57 1HB ASN 57 28.296 13.549 -1.615 468 1HD2 ASN 57 1HD2 ASN 57 25.306 11.501 -3.750 469 2HD2 ASN 57 2HD2 ASN 57 24.894 12.258 -2.260 470 H ILE 58 H ILE 58 25.131 10.909 0.242 471 HA ILE 58 HA ILE 58 25.992 8.570 -1.336 472 HB ILE 58 HB ILE 58 26.926 8.785 1.231 473 1HG1 ILE 58 2HG1 ILE 58 26.454 6.017 0.821 474 2HG1 ILE 58 1HG1 ILE 58 26.745 6.771 -0.797 475 1HG2 ILE 58 2HG2 ILE 58 24.573 8.814 2.019 476 2HG2 ILE 58 1HG2 ILE 58 24.465 7.075 1.611 477 3HG2 ILE 58 3HG2 ILE 58 25.648 7.598 2.788 478 1HD1 ILE 58 1HD1 ILE 58 28.493 7.618 1.520 479 2HD1 ILE 58 3HD1 ILE 58 28.809 6.029 0.848 480 3HD1 ILE 58 2HD1 ILE 58 28.896 7.483 -0.181 481 H ASP 59 H ASP 59 24.513 6.763 -0.803 482 HA ASP 59 HA ASP 59 21.838 7.826 -0.094 483 1HB ASP 59 2HB ASP 59 22.707 6.913 -2.607 484 2HB ASP 59 1HB ASP 59 21.627 5.651 -2.021 485 H VAL 60 H VAL 60 20.389 5.525 0.124 486 HA VAL 60 HA VAL 60 22.165 3.525 1.517 487 HB VAL 60 HB VAL 60 19.468 4.483 2.428 488 1HG1 VAL 60 1HG1 VAL 60 20.504 1.973 2.838 489 2HG1 VAL 60 3HG1 VAL 60 21.527 2.859 4.011 490 3HG1 VAL 60 2HG1 VAL 60 19.797 2.915 4.198 491 1HG2 VAL 60 3HG2 VAL 60 21.356 6.118 2.705 492 2HG2 VAL 60 2HG2 VAL 60 20.919 5.467 4.325 493 3HG2 VAL 60 1HG2 VAL 60 22.343 4.870 3.416 494 H VAL 61 H VAL 61 18.797 3.118 1.373 495 HA VAL 61 HA VAL 61 17.592 1.799 0.198 496 HB VAL 61 HB VAL 61 19.891 0.778 -1.560 497 1HG1 VAL 61 3HG1 VAL 61 16.888 0.970 -1.862 498 2HG1 VAL 61 2HG1 VAL 61 17.902 0.996 -3.310 499 3HG1 VAL 61 1HG1 VAL 61 17.995 -0.361 -2.200 500 1HG2 VAL 61 3HG2 VAL 61 19.268 3.628 -1.392 501 2HG2 VAL 61 2HG2 VAL 61 20.202 2.781 -2.633 502 3HG2 VAL 61 1HG2 VAL 61 18.481 3.045 -2.857 503 H PHE 62 H PHE 62 17.855 0.920 2.326 504 HA PHE 62 HA PHE 62 19.796 -1.296 2.423 505 1HB PHE 62 2HB PHE 62 19.204 -1.519 4.863 506 2HB PHE 62 1HB PHE 62 20.230 -0.246 4.245 507 HD1 PHE 62 HD2 PHE 62 16.680 0.052 3.718 508 HD2 PHE 62 HD1 PHE 62 19.784 1.073 6.439 509 HE1 PHE 62 HE2 PHE 62 15.180 1.623 4.753 510 HE2 PHE 62 HE1 PHE 62 18.350 2.709 7.554 511 HZ PHE 62 HZ PHE 62 15.994 3.027 6.747 512 H GLU 63 H GLU 63 17.150 -1.730 4.529 513 HA GLU 63 HA GLU 63 15.325 -3.388 3.134 514 1HB GLU 63 2HB GLU 63 17.663 -4.745 2.990 515 2HB GLU 63 1HB GLU 63 17.044 -5.288 4.612 516 1HG GLU 63 2HG GLU 63 14.751 -5.552 3.201 517 2HG GLU 63 1HG GLU 63 15.711 -5.436 1.806 518 H LEU 64 H LEU 64 15.244 -1.329 4.885 519 HA LEU 64 HA LEU 64 14.095 -0.699 6.784 520 1HB LEU 64 2HB LEU 64 13.585 -3.666 7.122 521 2HB LEU 64 1HB LEU 64 13.427 -2.500 8.440 522 HG LEU 64 HG LEU 64 11.929 -2.246 5.804 523 1HD1 LEU 64 3HD1 LEU 64 10.967 -3.123 8.537 524 2HD1 LEU 64 2HD1 LEU 64 9.904 -2.821 7.186 525 3HD1 LEU 64 1HD1 LEU 64 11.056 -4.180 7.092 526 1HD2 LEU 64 2HD2 LEU 64 12.467 -0.246 7.808 527 2HD2 LEU 64 1HD2 LEU 64 11.155 -0.163 6.625 528 3HD2 LEU 64 3HD2 LEU 64 10.866 -0.865 8.228 529 H GLY 65 H GLY 65 15.107 -3.270 8.917 530 1HA GLY 65 1HA GLY 65 17.084 -1.296 9.869 531 2HA GLY 65 2HA GLY 65 16.401 -2.613 10.751 532 H VAL 66 H VAL 66 17.407 -4.989 10.163 533 HA VAL 66 HA VAL 66 19.150 -6.329 9.522 534 HB VAL 66 HB VAL 66 18.780 -4.476 7.474 535 1HG1 VAL 66 1HG1 VAL 66 21.081 -3.546 8.051 536 2HG1 VAL 66 3HG1 VAL 66 21.748 -5.173 7.688 537 3HG1 VAL 66 2HG1 VAL 66 20.967 -4.249 6.434 538 1HG2 VAL 66 1HG2 VAL 66 19.468 -7.343 7.836 539 2HG2 VAL 66 3HG2 VAL 66 18.541 -6.602 6.560 540 3HG2 VAL 66 2HG2 VAL 66 20.310 -6.625 6.415 541 H ASP 67 H ASP 67 21.252 -6.752 10.349 542 HA ASP 67 HA ASP 67 22.163 -4.611 12.082 543 1HB ASP 67 2HB ASP 67 23.980 -6.285 12.671 544 2HB ASP 67 1HB ASP 67 22.348 -6.141 13.348 545 H PHE 68 H PHE 68 23.713 -3.230 11.957 546 HA PHE 68 HA PHE 68 25.472 -3.404 9.502 547 1HB PHE 68 2HB PHE 68 24.326 -0.959 10.782 548 2HB PHE 68 1HB PHE 68 25.700 -0.917 9.651 549 HD1 PHE 68 HD2 PHE 68 24.500 -3.317 7.873 550 HD2 PHE 68 HD1 PHE 68 22.905 0.388 9.429 551 HE1 PHE 68 HE2 PHE 68 22.858 -3.212 6.057 552 HE2 PHE 68 HE1 PHE 68 21.272 0.493 7.600 553 HZ PHE 68 HZ PHE 68 21.242 -1.316 5.905 554 H ALA 69 H ALA 69 25.614 -1.239 12.183 555 HA ALA 69 HA ALA 69 27.041 -1.078 14.039 556 1HB ALA 69 2HB ALA 69 27.679 -3.550 13.582 557 2HB ALA 69 1HB ALA 69 29.112 -2.838 12.749 558 3HB ALA 69 3HB ALA 69 28.799 -2.455 14.482 559 H TYR 70 H TYR 70 26.832 0.568 11.741 560 HA TYR 70 HA TYR 70 29.641 1.501 11.433 561 1HB TYR 70 2HB TYR 70 29.170 1.757 9.138 562 2HB TYR 70 1HB TYR 70 27.795 0.691 9.466 563 HD1 TYR 70 HD2 TYR 70 25.456 1.888 9.919 564 HD2 TYR 70 HD1 TYR 70 28.934 4.056 8.672 565 HE1 TYR 70 HE2 TYR 70 23.980 3.764 9.291 566 HE2 TYR 70 HE1 TYR 70 27.500 5.958 8.039 567 HH TYR 70 HH TYR 70 25.278 6.864 8.630 568 H SER 71 H SER 71 29.998 3.616 12.074 569 HA SER 71 HA SER 71 28.381 4.692 13.998 570 1HB SER 71 2HB SER 71 29.661 6.424 14.099 571 2HB SER 71 1HB SER 71 30.753 5.493 13.137 572 HG SER 71 HG SER 71 30.566 6.942 11.651 573 H LEU 72 H LEU 72 26.756 5.744 14.231 574 HA LEU 72 HA LEU 72 24.592 5.968 12.608 575 1HB LEU 72 2HB LEU 72 24.276 6.473 14.925 576 2HB LEU 72 1HB LEU 72 25.676 7.514 15.011 577 HG LEU 72 HG LEU 72 23.409 8.529 15.162 578 1HD1 LEU 72 3HD1 LEU 72 25.691 9.653 13.842 579 2HD1 LEU 72 2HD1 LEU 72 24.180 10.316 13.122 580 3HD1 LEU 72 1HD1 LEU 72 24.467 10.353 14.874 581 1HD2 LEU 72 2HD2 LEU 72 22.973 7.189 12.617 582 2HD2 LEU 72 1HD2 LEU 72 21.823 8.153 13.571 583 3HD2 LEU 72 3HD2 LEU 72 22.802 8.934 12.332 584 H ALA 73 H ALA 73 27.334 8.236 12.909 585 HA ALA 73 HA ALA 73 26.660 9.238 10.234 586 1HB ALA 73 2HB ALA 73 25.086 10.578 11.343 587 2HB ALA 73 1HB ALA 73 26.343 11.328 12.368 588 3HB ALA 73 3HB ALA 73 26.378 11.559 10.623 589 H ASP 74 H ASP 74 29.108 8.835 12.697 590 HA ASP 74 HA ASP 74 30.996 9.816 10.748 591 1HB ASP 74 2HB ASP 74 32.231 11.268 12.142 592 2HB ASP 74 1HB ASP 74 30.740 11.833 11.310 593 H GLY 75 H GLY 75 31.102 9.287 14.369 594 1HA GLY 75 1HA GLY 75 33.630 7.681 13.773 595 2HA GLY 75 2HA GLY 75 33.403 8.697 15.169 596 H THR 76 H THR 76 30.639 7.464 15.907 597 HA THR 76 HA THR 76 31.985 5.180 17.215 598 HB THR 76 HB THR 76 29.259 6.347 17.701 599 HG1 THR 76 1HG THR 76 30.558 6.805 19.589 600 1HG2 THR 76 2HG2 THR 76 29.607 3.716 18.269 601 2HG2 THR 76 1HG2 THR 76 30.904 4.207 19.320 602 3HG2 THR 76 3HG2 THR 76 29.223 4.718 19.639 603 H GLU 77 H GLU 77 28.521 4.708 16.659 604 HA GLU 77 HA GLU 77 28.986 2.878 14.358 605 1HB GLU 77 2HB GLU 77 29.375 2.001 17.137 606 2HB GLU 77 1HB GLU 77 28.253 1.058 16.257 607 1HG GLU 77 2HG GLU 77 29.933 -0.074 15.178 608 2HG GLU 77 1HG GLU 77 30.489 1.444 14.409 609 H LEU 78 H LEU 78 27.072 0.937 14.636 610 HA LEU 78 HA LEU 78 24.776 1.459 16.154 611 1HB LEU 78 2HB LEU 78 25.048 2.994 13.505 612 2HB LEU 78 1HB LEU 78 23.595 2.006 13.611 613 HG LEU 78 HG LEU 78 24.296 4.401 15.323 614 1HD1 LEU 78 3HD1 LEU 78 22.842 4.067 13.010 615 2HD1 LEU 78 2HD1 LEU 78 21.593 4.254 14.277 616 3HD1 LEU 78 1HD1 LEU 78 22.819 5.501 14.038 617 1HD2 LEU 78 1HD2 LEU 78 22.199 2.097 15.471 618 2HD2 LEU 78 3HD2 LEU 78 23.176 2.628 16.868 619 3HD2 LEU 78 2HD2 LEU 78 21.806 3.607 16.235 620 H THR 79 H THR 79 25.105 -0.730 16.189 621 HA THR 79 HA THR 79 24.922 -2.450 13.777 622 HB THR 79 HB THR 79 26.608 -2.955 15.563 623 HG1 THR 79 1HG THR 79 25.614 -4.304 13.948 624 1HG2 THR 79 1HG2 THR 79 24.252 -3.092 17.315 625 2HG2 THR 79 3HG2 THR 79 25.271 -4.557 17.385 626 3HG2 THR 79 2HG2 THR 79 25.975 -2.996 17.724 627 H GLY 80 H GLY 80 22.607 -0.770 14.472 628 1HA GLY 80 1HA GLY 80 20.739 -2.703 15.760 629 2HA GLY 80 2HA GLY 80 20.521 -0.944 15.462 630 H THR 81 H THR 81 18.536 -2.000 14.815 631 HA THR 81 HA THR 81 18.603 -2.359 11.827 632 HB THR 81 HB THR 81 17.904 -4.439 12.316 633 HG1 THR 81 1HG THR 81 15.612 -4.617 13.001 634 1HG2 THR 81 3HG2 THR 81 17.388 -3.472 15.175 635 2HG2 THR 81 2HG2 THR 81 17.011 -5.091 14.608 636 3HG2 THR 81 1HG2 THR 81 18.690 -4.491 14.471 637 H TRP 82 H TRP 82 18.189 -0.237 11.685 638 HA TRP 82 HA TRP 82 15.992 1.135 12.856 639 1HB TRP 82 2HB TRP 82 17.046 1.848 10.009 640 2HB TRP 82 1HB TRP 82 16.284 2.921 11.101 641 HD1 TRP 82 HD1 TRP 82 19.540 0.954 12.251 642 HE1 TRP 82 HE1 TRP 82 21.330 2.754 12.545 643 HE3 TRP 82 HE3 TRP 82 17.019 5.047 10.496 644 HZ2 TRP 82 HZ2 TRP 82 21.657 5.525 12.106 645 HZ3 TRP 82 HZ3 TRP 82 18.067 7.203 10.438 646 HH2 TRP 82 HH2 TRP 82 20.401 7.478 11.246 647 H THR 83 H THR 83 14.108 -0.249 12.546 648 HA THR 83 HA THR 83 13.235 -0.583 9.702 649 HB THR 83 HB THR 83 11.258 -1.708 10.682 650 HG1 THR 83 1HG THR 83 11.097 -1.920 12.806 651 1HG2 THR 83 1HG2 THR 83 13.998 -2.800 10.905 652 2HG2 THR 83 3HG2 THR 83 12.784 -3.639 11.940 653 3HG2 THR 83 2HG2 THR 83 12.556 -3.530 10.166 654 H MET 84 H MET 84 10.470 -0.137 9.949 655 HA MET 84 HA MET 84 10.300 2.468 11.389 656 1HB MET 84 2HB MET 84 8.958 3.229 9.401 657 2HB MET 84 1HB MET 84 10.485 2.825 8.763 658 1HG MET 84 2HG MET 84 9.806 0.731 7.792 659 2HG MET 84 1HG MET 84 8.525 0.608 8.913 660 1HE MET 84 2HE MET 84 7.773 -0.349 6.540 661 2HE MET 84 1HE MET 84 6.740 0.566 5.410 662 3HE MET 84 3HE MET 84 8.538 0.606 5.245 663 H GLU 85 H GLU 85 7.375 2.302 10.145 664 HA GLU 85 HA GLU 85 6.585 -0.168 11.449 665 1HB GLU 85 2HB GLU 85 7.004 1.920 13.119 666 2HB GLU 85 1HB GLU 85 5.337 2.340 12.542 667 1HG GLU 85 2HG GLU 85 5.435 -0.485 13.157 668 2HG GLU 85 1HG GLU 85 6.310 0.219 14.428 669 H GLY 86 H GLY 86 3.810 1.176 11.884 670 1HA GLY 86 1HA GLY 86 2.887 0.623 9.221 671 2HA GLY 86 2HA GLY 86 1.935 1.439 10.579 672 H ASN 87 H ASN 87 4.023 3.464 11.025 673 HA ASN 87 HA ASN 87 4.121 4.716 8.358 674 1HB ASN 87 2HB ASN 87 2.975 6.312 8.154 675 2HB ASN 87 1HB ASN 87 1.907 4.982 8.866 676 1HD2 ASN 87 1HD2 ASN 87 1.842 6.607 12.176 677 2HD2 ASN 87 2HD2 ASN 87 1.953 5.070 11.385 678 H LYS 88 H LYS 88 5.772 4.199 11.100 679 HA LYS 88 HA LYS 88 7.324 6.753 10.850 680 1HB LYS 88 2HB LYS 88 7.990 6.145 13.251 681 2HB LYS 88 1HB LYS 88 6.672 7.166 12.953 682 1HG LYS 88 2HG LYS 88 5.549 4.454 13.179 683 2HG LYS 88 1HG LYS 88 6.756 4.747 14.484 684 1HD LYS 88 2HD LYS 88 5.382 7.208 14.292 685 2HD LYS 88 1HD LYS 88 4.157 6.024 13.954 686 1HE LYS 88 2HE LYS 88 5.931 5.411 16.342 687 2HE LYS 88 1HE LYS 88 5.057 6.928 16.437 688 1HZ LYS 88 3HZ LYS 88 3.003 5.768 16.049 689 2HZ LYS 88 2HZ LYS 88 3.833 4.272 16.158 690 3HZ LYS 88 1HZ LYS 88 3.819 5.345 17.469 691 H LEU 89 H LEU 89 9.259 6.438 10.565 692 HA LEU 89 HA LEU 89 10.624 3.903 10.185 693 1HB LEU 89 2HB LEU 89 11.223 6.707 10.017 694 2HB LEU 89 1HB LEU 89 12.244 5.976 11.181 695 HG LEU 89 HG LEU 89 11.878 5.244 8.203 696 1HD1 LEU 89 2HD1 LEU 89 13.855 6.961 9.673 697 2HD1 LEU 89 1HD1 LEU 89 14.381 6.002 8.284 698 3HD1 LEU 89 3HD1 LEU 89 13.088 7.150 8.064 699 1HD2 LEU 89 1HD2 LEU 89 14.098 4.376 10.267 700 2HD2 LEU 89 3HD2 LEU 89 12.853 3.215 9.731 701 3HD2 LEU 89 2HD2 LEU 89 14.076 3.819 8.593 702 H VAL 90 H VAL 90 12.708 3.933 11.666 703 HA VAL 90 HA VAL 90 12.559 4.352 14.555 704 HB VAL 90 HB VAL 90 13.218 1.644 13.762 705 1HG1 VAL 90 3HG1 VAL 90 13.542 2.710 16.011 706 2HG1 VAL 90 2HG1 VAL 90 11.818 2.840 16.229 707 3HG1 VAL 90 1HG1 VAL 90 12.565 1.215 16.159 708 1HG2 VAL 90 2HG2 VAL 90 10.259 2.623 14.333 709 2HG2 VAL 90 1HG2 VAL 90 10.762 1.550 12.975 710 3HG2 VAL 90 3HG2 VAL 90 10.769 0.985 14.620 711 H GLY 91 H GLY 91 14.666 5.278 14.575 712 1HA GLY 91 1HA GLY 91 16.503 4.464 12.504 713 2HA GLY 91 2HA GLY 91 16.856 5.636 13.755 714 H LYS 92 H LYS 92 15.522 3.203 15.314 715 HA LYS 92 HA LYS 92 16.291 1.902 16.961 716 1HB LYS 92 2HB LYS 92 16.945 0.485 14.358 717 2HB LYS 92 1HB LYS 92 17.261 -0.297 15.887 718 1HG LYS 92 2HG LYS 92 14.623 1.041 15.489 719 2HG LYS 92 1HG LYS 92 14.855 -0.664 15.070 720 1HD LYS 92 2HD LYS 92 16.144 -0.444 17.553 721 2HD LYS 92 1HD LYS 92 14.739 0.593 17.655 722 1HE LYS 92 2HE LYS 92 14.963 -2.399 17.293 723 2HE LYS 92 1HE LYS 92 13.835 -1.465 18.341 724 1HZ LYS 92 3HZ LYS 92 12.880 -0.706 16.090 725 2HZ LYS 92 2HZ LYS 92 13.547 -2.155 15.501 726 3HZ LYS 92 1HZ LYS 92 12.445 -2.172 16.801 727 H PHE 93 H PHE 93 18.661 0.019 16.855 728 HA PHE 93 HA PHE 93 20.991 1.728 16.976 729 1HB PHE 93 2HB PHE 93 20.686 1.373 19.672 730 2HB PHE 93 1HB PHE 93 20.153 2.790 18.906 731 HD1 PHE 93 HD2 PHE 93 19.440 -0.781 19.532 732 HD2 PHE 93 HD1 PHE 93 17.506 3.038 19.500 733 HE1 PHE 93 HE2 PHE 93 17.447 -1.819 20.393 734 HE2 PHE 93 HE1 PHE 93 15.452 1.926 20.487 735 HZ PHE 93 HZ PHE 93 15.420 -0.473 20.897 736 H LYS 94 H LYS 94 22.156 1.169 18.864 737 HA LYS 94 HA LYS 94 22.803 0.028 20.631 738 1HB LYS 94 2HB LYS 94 22.201 -2.462 18.890 739 2HB LYS 94 1HB LYS 94 23.536 -2.437 20.282 740 1HG LYS 94 2HG LYS 94 22.087 -1.382 21.744 741 2HG LYS 94 1HG LYS 94 20.871 -1.127 20.682 742 1HD LYS 94 2HD LYS 94 20.167 -3.469 20.631 743 2HD LYS 94 1HD LYS 94 21.660 -4.005 21.394 744 1HE LYS 94 2HE LYS 94 19.523 -3.943 22.838 745 2HE LYS 94 1HE LYS 94 21.022 -3.230 23.557 746 1HZ LYS 94 1HZ LYS 94 19.440 -1.375 22.098 747 2HZ LYS 94 3HZ LYS 94 18.617 -2.066 23.398 748 3HZ LYS 94 2HZ LYS 94 20.080 -1.278 23.663 749 H ARG 95 H ARG 95 23.945 1.606 19.754 750 HA ARG 95 HA ARG 95 25.558 2.072 17.764 751 1HB ARG 95 2HB ARG 95 26.841 2.101 20.532 752 2HB ARG 95 1HB ARG 95 27.009 3.200 19.081 753 1HG ARG 95 2HG ARG 95 24.878 2.989 21.142 754 2HG ARG 95 1HG ARG 95 25.851 4.368 20.836 755 1HD ARG 95 2HD ARG 95 23.574 3.241 19.062 756 2HD ARG 95 1HD ARG 95 23.773 4.807 19.696 757 HE ARG 95 HE ARG 95 24.452 4.247 17.184 758 1HH1 ARG 95 1HH2 ARG 95 26.614 5.675 19.849 759 2HH1 ARG 95 2HH2 ARG 95 27.389 6.553 18.609 760 1HH2 ARG 95 1HH1 ARG 95 25.748 5.602 15.850 761 2HH2 ARG 95 2HH1 ARG 95 27.015 6.558 16.580 762 H VAL 96 H VAL 96 27.157 0.429 20.406 763 HA VAL 96 HA VAL 96 28.173 -1.915 19.813 764 HB VAL 96 HB VAL 96 29.059 0.131 17.844 765 1HG1 VAL 96 1HG1 VAL 96 30.973 -1.683 19.263 766 2HG1 VAL 96 3HG1 VAL 96 31.284 -1.072 17.597 767 3HG1 VAL 96 2HG1 VAL 96 31.142 0.067 18.920 768 1HG2 VAL 96 3HG2 VAL 96 27.788 -2.310 17.538 769 2HG2 VAL 96 2HG2 VAL 96 28.778 -1.510 16.268 770 3HG2 VAL 96 1HG2 VAL 96 29.509 -2.772 17.297 771 H ASP 97 H ASP 97 28.910 1.529 20.169 772 HA ASP 97 HA ASP 97 31.389 1.289 21.708 773 1HB ASP 97 2HB ASP 97 30.654 3.487 21.073 774 2HB ASP 97 1HB ASP 97 29.265 3.367 22.097 775 H ASN 98 H ASN 98 28.104 0.629 22.312 776 HA ASN 98 HA ASN 98 28.603 -0.919 24.662 777 1HB ASN 98 2HB ASN 98 29.067 0.979 25.723 778 2HB ASN 98 1HB ASN 98 27.730 1.785 25.015 779 1HD2 ASN 98 1HD2 ASN 98 26.936 -0.980 28.032 780 2HD2 ASN 98 2HD2 ASN 98 28.212 -1.195 26.857 781 H GLY 99 H GLY 99 26.277 1.006 22.847 782 1HA GLY 99 1HA GLY 99 24.340 -0.003 21.764 783 2HA GLY 99 2HA GLY 99 24.036 -0.967 23.098 784 H LYS 100 H LYS 100 23.386 1.891 21.557 785 HA LYS 100 HA LYS 100 22.206 3.388 23.868 786 1HB LYS 100 2HB LYS 100 23.587 4.253 21.558 787 2HB LYS 100 1HB LYS 100 21.967 4.866 21.576 788 1HG LYS 100 2HG LYS 100 23.350 6.367 22.905 789 2HG LYS 100 1HG LYS 100 22.555 5.345 24.211 790 1HD LYS 100 2HD LYS 100 24.554 4.159 24.547 791 2HD LYS 100 1HD LYS 100 24.950 4.155 22.925 792 1HE LYS 100 2HE LYS 100 25.621 6.738 23.237 793 2HE LYS 100 1HE LYS 100 25.745 6.231 24.929 794 1HZ LYS 100 2HZ LYS 100 27.067 4.476 23.074 795 2HZ LYS 100 1HZ LYS 100 27.709 6.011 23.222 796 3HZ LYS 100 3HZ LYS 100 27.503 5.055 24.581 797 H GLU 101 H GLU 101 20.343 4.839 22.558 798 HA GLU 101 HA GLU 101 19.060 3.075 20.638 799 1HB GLU 101 2HB GLU 101 17.454 3.657 23.136 800 2HB GLU 101 1HB GLU 101 16.756 3.220 21.635 801 1HG GLU 101 2HG GLU 101 18.035 0.994 21.653 802 2HG GLU 101 1HG GLU 101 18.853 1.555 23.011 803 H LEU 102 H LEU 102 20.164 4.731 19.713 804 HA LEU 102 HA LEU 102 19.641 7.372 19.231 805 1HB LEU 102 2HB LEU 102 19.965 4.943 17.497 806 2HB LEU 102 1HB LEU 102 19.451 6.455 16.712 807 HG LEU 102 HG LEU 102 21.622 6.880 18.674 808 1HD1 LEU 102 3HD1 LEU 102 22.548 4.705 17.678 809 2HD1 LEU 102 2HD1 LEU 102 22.458 5.487 16.060 810 3HD1 LEU 102 1HD1 LEU 102 23.529 6.150 17.331 811 1HD2 LEU 102 1HD2 LEU 102 21.001 7.637 15.738 812 2HD2 LEU 102 3HD2 LEU 102 20.703 8.520 17.212 813 3HD2 LEU 102 2HD2 LEU 102 22.406 8.237 16.697 814 H ILE 103 H ILE 103 18.088 4.647 17.477 815 HA ILE 103 HA ILE 103 16.049 4.133 16.985 816 HB ILE 103 HB ILE 103 15.785 6.037 19.372 817 1HG1 ILE 103 2HG1 ILE 103 15.887 3.746 20.032 818 2HG1 ILE 103 1HG1 ILE 103 14.186 4.087 20.000 819 1HG2 ILE 103 2HG2 ILE 103 13.297 5.585 17.707 820 2HG2 ILE 103 1HG2 ILE 103 13.371 5.791 19.495 821 3HG2 ILE 103 3HG2 ILE 103 14.002 7.051 18.479 822 1HD1 ILE 103 3HD1 ILE 103 14.792 3.013 17.395 823 2HD1 ILE 103 2HD1 ILE 103 15.433 2.013 18.640 824 3HD1 ILE 103 1HD1 ILE 103 13.723 2.400 18.712 825 H ALA 104 H ALA 104 17.606 6.502 15.889 826 HA ALA 104 HA ALA 104 16.197 8.689 15.112 827 1HB ALA 104 1HB ALA 104 18.673 7.822 14.384 828 2HB ALA 104 3HB ALA 104 17.811 7.143 12.997 829 3HB ALA 104 2HB ALA 104 17.742 8.883 13.246 830 H VAL 105 H VAL 105 14.080 7.949 15.244 831 HA VAL 105 HA VAL 105 13.198 6.542 12.769 832 HB VAL 105 HB VAL 105 11.638 5.753 13.952 833 1HG1 VAL 105 2HG1 VAL 105 12.335 7.632 16.181 834 2HG1 VAL 105 1HG1 VAL 105 10.807 6.791 16.233 835 3HG1 VAL 105 3HG1 VAL 105 12.322 5.831 16.117 836 1HG2 VAL 105 3HG2 VAL 105 10.501 8.596 13.827 837 2HG2 VAL 105 2HG2 VAL 105 9.982 7.100 12.968 838 3HG2 VAL 105 1HG2 VAL 105 9.699 7.294 14.678 839 H ARG 106 H ARG 106 12.162 7.865 11.098 840 HA ARG 106 HA ARG 106 12.381 10.842 11.243 841 1HB ARG 106 2HB ARG 106 12.688 8.803 9.330 842 2HB ARG 106 1HB ARG 106 11.136 9.534 8.894 843 1HG ARG 106 2HG ARG 106 12.132 11.290 8.053 844 2HG ARG 106 1HG ARG 106 12.641 11.760 9.595 845 1HD ARG 106 2HD ARG 106 14.310 9.661 8.064 846 2HD ARG 106 1HD ARG 106 14.499 11.426 7.745 847 HE ARG 106 HE ARG 106 14.790 11.388 10.406 848 1HH1 ARG 106 1HH2 ARG 106 16.128 8.911 8.039 849 2HH1 ARG 106 2HH2 ARG 106 17.410 8.616 9.184 850 1HH2 ARG 106 2HH1 ARG 106 16.350 10.858 11.568 851 2HH2 ARG 106 1HH1 ARG 106 17.606 9.691 11.241 852 H GLU 107 H GLU 107 10.328 8.085 11.380 853 HA GLU 107 HA GLU 107 8.217 7.786 12.023 854 1HB GLU 107 2HB GLU 107 9.336 10.231 13.138 855 2HB GLU 107 1HB GLU 107 7.511 10.502 12.921 856 1HG GLU 107 2HG GLU 107 8.044 7.973 14.150 857 2HG GLU 107 1HG GLU 107 8.978 9.007 14.965 858 H ILE 108 H ILE 108 8.376 11.218 11.299 859 HA ILE 108 HA ILE 108 7.469 12.691 9.856 860 HB ILE 108 HB ILE 108 7.914 10.705 8.390 861 1HG1 ILE 108 2HG1 ILE 108 5.660 12.694 7.770 862 2HG1 ILE 108 1HG1 ILE 108 7.359 13.075 7.983 863 1HG2 ILE 108 2HG2 ILE 108 5.040 9.999 9.070 864 2HG2 ILE 108 1HG2 ILE 108 5.154 10.416 7.354 865 3HG2 ILE 108 3HG2 ILE 108 6.172 9.147 8.053 866 1HD1 ILE 108 3HD1 ILE 108 6.887 10.888 5.977 867 2HD1 ILE 108 2HD1 ILE 108 6.134 12.460 5.523 868 3HD1 ILE 108 1HD1 ILE 108 7.867 12.387 5.806 869 H SER 109 H SER 109 5.640 13.874 9.896 870 HA SER 109 HA SER 109 3.155 12.641 10.592 871 1HB SER 109 2HB SER 109 3.662 12.605 12.895 872 2HB SER 109 1HB SER 109 4.946 13.790 12.683 873 HG SER 109 HG SER 109 3.258 14.766 13.846 874 H GLY 110 H GLY 110 2.138 13.540 9.144 875 1HA GLY 110 1HA GLY 110 1.106 15.078 7.787 876 2HA GLY 110 2HA GLY 110 1.270 16.246 9.182 877 H ASN 111 H ASN 111 3.038 17.506 9.305 878 HA ASN 111 HA ASN 111 4.693 17.790 6.816 879 1HB ASN 111 2HB ASN 111 5.158 20.027 7.561 880 2HB ASN 111 1HB ASN 111 3.617 19.685 6.751 881 1HD2 ASN 111 1HD2 ASN 111 3.174 21.875 9.907 882 2HD2 ASN 111 2HD2 ASN 111 4.360 21.894 8.636 883 H GLU 112 H GLU 112 5.829 15.878 8.244 884 HA GLU 112 HA GLU 112 7.988 17.272 9.780 885 1HB GLU 112 2HB GLU 112 5.950 15.407 10.888 886 2HB GLU 112 1HB GLU 112 7.572 14.880 11.139 887 1HG GLU 112 2HG GLU 112 6.778 16.228 13.027 888 2HG GLU 112 1HG GLU 112 8.274 16.774 12.379 889 H LEU 113 H LEU 113 9.324 15.459 10.560 890 HA LEU 113 HA LEU 113 9.635 12.891 9.480 891 1HB LEU 113 2HB LEU 113 11.673 14.918 8.416 892 2HB LEU 113 1HB LEU 113 11.994 13.228 8.683 893 HG LEU 113 HG LEU 113 10.192 14.284 6.515 894 1HD1 LEU 113 3HD1 LEU 113 12.829 12.871 7.041 895 2HD1 LEU 113 2HD1 LEU 113 11.934 12.235 5.689 896 3HD1 LEU 113 1HD1 LEU 113 12.372 13.983 5.785 897 1HD2 LEU 113 2HD2 LEU 113 10.323 11.652 8.117 898 2HD2 LEU 113 1HD2 LEU 113 8.943 12.334 7.316 899 3HD2 LEU 113 3HD2 LEU 113 10.177 11.489 6.329 900 H ILE 114 H ILE 114 9.245 14.446 11.788 901 HA ILE 114 HA ILE 114 10.435 15.418 13.565 902 HB ILE 114 HB ILE 114 10.626 12.546 14.336 903 1HG1 ILE 114 2HG1 ILE 114 8.781 12.747 12.304 904 2HG1 ILE 114 1HG1 ILE 114 8.568 11.834 13.763 905 1HG2 ILE 114 2HG2 ILE 114 10.441 14.167 15.960 906 2HG2 ILE 114 1HG2 ILE 114 8.813 14.646 15.349 907 3HG2 ILE 114 3HG2 ILE 114 9.049 13.024 15.926 908 1HD1 ILE 114 1HD1 ILE 114 7.658 14.763 13.852 909 2HD1 ILE 114 3HD1 ILE 114 6.851 13.727 12.682 910 3HD1 ILE 114 2HD1 ILE 114 6.754 13.292 14.368 911 H GLN 115 H GLN 115 11.818 12.252 12.954 912 HA GLN 115 HA GLN 115 13.967 11.389 12.674 913 1HB GLN 115 2HB GLN 115 14.819 14.290 13.500 914 2HB GLN 115 1HB GLN 115 15.888 12.946 13.256 915 1HG GLN 115 2HG GLN 115 14.299 13.372 10.775 916 2HG GLN 115 1HG GLN 115 14.924 14.928 11.377 917 1HE2 GLN 115 1HE2 GLN 115 17.390 12.598 9.339 918 2HE2 GLN 115 2HE2 GLN 115 15.649 12.716 9.143 919 H THR 116 H THR 116 12.346 11.048 14.636 920 HA THR 116 HA THR 116 13.034 11.743 17.362 921 HB THR 116 HB THR 116 11.570 9.568 15.946 922 HG1 THR 116 1HG THR 116 9.885 10.698 16.267 923 1HG2 THR 116 2HG2 THR 116 12.352 9.737 18.915 924 2HG2 THR 116 1HG2 THR 116 10.589 9.493 18.627 925 3HG2 THR 116 3HG2 THR 116 11.783 8.372 17.994 926 H TYR 117 H TYR 117 15.350 11.418 17.461 927 HA TYR 117 HA TYR 117 15.769 8.493 17.913 928 1HB TYR 117 2HB TYR 117 18.087 10.395 18.437 929 2HB TYR 117 1HB TYR 117 18.299 8.940 17.838 930 HD1 TYR 117 HD2 TYR 117 16.104 10.569 15.431 931 HD2 TYR 117 HD1 TYR 117 20.101 10.206 16.664 932 HE1 TYR 117 HE2 TYR 117 16.893 11.401 13.252 933 HE2 TYR 117 HE1 TYR 117 20.918 11.019 14.440 934 HH TYR 117 HH TYR 117 19.472 12.707 12.528 935 H THR 118 H THR 118 15.223 8.002 19.756 936 HA THR 118 HA THR 118 15.912 9.780 22.054 937 HB THR 118 HB THR 118 14.161 7.407 22.459 938 HG1 THR 118 1HG THR 118 12.608 8.521 21.574 939 1HG2 THR 118 3HG2 THR 118 15.067 9.094 24.356 940 2HG2 THR 118 2HG2 THR 118 14.242 10.372 23.474 941 3HG2 THR 118 1HG2 THR 118 13.273 9.038 24.183 942 H TYR 119 H TYR 119 18.171 8.972 21.724 943 HA TYR 119 HA TYR 119 19.046 6.194 22.272 944 1HB TYR 119 2HB TYR 119 21.172 6.888 22.114 945 2HB TYR 119 1HB TYR 119 20.297 7.878 20.968 946 HD1 TYR 119 HD2 TYR 119 19.932 10.483 21.726 947 HD2 TYR 119 HD1 TYR 119 22.383 7.677 23.895 948 HE1 TYR 119 HE2 TYR 119 20.982 12.312 22.933 949 HE2 TYR 119 HE1 TYR 119 23.423 9.500 25.094 950 HH TYR 119 HH TYR 119 22.156 12.689 25.018 951 H GLU 120 H GLU 120 18.077 8.812 24.454 952 HA GLU 120 HA GLU 120 18.510 6.900 26.641 953 1HB GLU 120 2HB GLU 120 20.595 7.066 26.900 954 2HB GLU 120 1HB GLU 120 20.769 8.265 25.610 955 1HG GLU 120 2HG GLU 120 21.637 9.563 27.213 956 2HG GLU 120 1HG GLU 120 19.985 10.073 27.319 957 H GLY 121 H GLY 121 16.513 8.871 25.532 958 1HA GLY 121 1HA GLY 121 14.875 9.859 26.863 959 2HA GLY 121 2HA GLY 121 15.964 10.326 28.053 960 H VAL 122 H VAL 122 17.072 10.548 24.799 961 HA VAL 122 HA VAL 122 16.685 13.491 24.737 962 HB VAL 122 HB VAL 122 19.058 11.976 23.673 963 1HG1 VAL 122 2HG1 VAL 122 17.971 14.383 22.822 964 2HG1 VAL 122 1HG1 VAL 122 18.951 14.931 24.160 965 3HG1 VAL 122 3HG1 VAL 122 19.716 14.037 22.792 966 1HG2 VAL 122 2HG2 VAL 122 18.656 13.812 26.214 967 2HG2 VAL 122 1HG2 VAL 122 19.436 12.187 26.190 968 3HG2 VAL 122 3HG2 VAL 122 20.220 13.568 25.491 969 H GLU 123 H GLU 123 14.768 12.194 23.413 970 HA GLU 123 HA GLU 123 15.251 11.251 20.710 971 1HB GLU 123 2HB GLU 123 12.832 11.663 21.798 972 2HB GLU 123 1HB GLU 123 13.055 13.300 21.521 973 1HG GLU 123 2HG GLU 123 13.468 12.799 18.974 974 2HG GLU 123 1HG GLU 123 13.481 11.210 19.328 975 H ALA 124 H ALA 124 16.950 12.124 19.810 976 HA ALA 124 HA ALA 124 16.757 14.999 19.287 977 1HB ALA 124 1HB ALA 124 19.077 14.189 19.956 978 2HB ALA 124 3HB ALA 124 19.029 13.170 18.452 979 3HB ALA 124 2HB ALA 124 18.948 14.916 18.295 980 H LYS 125 H LYS 125 15.871 15.709 17.738 981 HA LYS 125 HA LYS 125 15.943 14.393 15.134 982 1HB LYS 125 2HB LYS 125 13.370 15.797 15.629 983 2HB LYS 125 1HB LYS 125 13.692 14.169 15.057 984 1HG LYS 125 2HG LYS 125 12.628 13.575 17.129 985 2HG LYS 125 1HG LYS 125 14.291 13.465 17.395 986 1HD LYS 125 2HD LYS 125 13.016 14.604 19.193 987 2HD LYS 125 1HD LYS 125 14.217 15.675 18.666 988 1HE LYS 125 2HE LYS 125 12.299 17.043 18.787 989 2HE LYS 125 1HE LYS 125 11.976 16.453 17.085 990 1HZ LYS 125 3HZ LYS 125 11.006 15.059 19.461 991 2HZ LYS 125 2HZ LYS 125 10.151 16.230 18.565 992 3HZ LYS 125 1HZ LYS 125 10.626 14.822 17.820 993 H ARG 126 H ARG 126 14.329 16.310 13.954 994 HA ARG 126 HA ARG 126 15.328 19.004 14.603 995 1HB ARG 126 2HB ARG 126 16.240 17.810 11.987 996 2HB ARG 126 1HB ARG 126 16.405 19.459 12.640 997 1HG ARG 126 2HG ARG 126 18.511 18.397 12.965 998 2HG ARG 126 1HG ARG 126 17.792 18.062 14.573 999 1HD ARG 126 2HD ARG 126 16.733 15.957 13.247 1000 2HD ARG 126 1HD ARG 126 18.219 16.187 12.290 1001 HE ARG 126 HE ARG 126 18.097 15.597 15.175 1002 1HH1 ARG 126 1HH2 ARG 126 20.139 16.080 12.248 1003 2HH1 ARG 126 2HH2 ARG 126 21.497 15.402 13.035 1004 1HH2 ARG 126 2HH1 ARG 126 19.741 14.800 16.050 1005 2HH2 ARG 126 1HH1 ARG 126 21.327 14.623 15.305 1006 H ILE 127 H ILE 127 14.620 16.893 11.951 1007 HA ILE 127 HA ILE 127 12.755 16.596 10.695 1008 HB ILE 127 HB ILE 127 11.993 19.508 11.382 1009 1HG1 ILE 127 2HG1 ILE 127 9.793 18.324 11.701 1010 2HG1 ILE 127 1HG1 ILE 127 10.584 16.816 11.286 1011 1HG2 ILE 127 1HG2 ILE 127 11.052 17.905 8.979 1012 2HG2 ILE 127 3HG2 ILE 127 10.212 19.289 9.576 1013 3HG2 ILE 127 2HG2 ILE 127 11.865 19.511 9.081 1014 1HD1 ILE 127 1HD1 ILE 127 11.278 18.477 13.869 1015 2HD1 ILE 127 3HD1 ILE 127 10.039 17.261 13.790 1016 3HD1 ILE 127 2HD1 ILE 127 11.723 16.828 13.564 1017 H PHE 128 H PHE 128 12.427 16.726 8.764 1018 HA PHE 128 HA PHE 128 14.499 17.146 7.056 1019 1HB PHE 128 2HB PHE 128 12.773 16.691 5.261 1020 2HB PHE 128 1HB PHE 128 12.362 15.668 6.581 1021 HD1 PHE 128 HD1 PHE 128 11.676 18.958 4.957 1022 HD2 PHE 128 HD2 PHE 128 10.053 16.036 7.524 1023 HE1 PHE 128 HE1 PHE 128 9.552 20.089 4.771 1024 HE2 PHE 128 HE2 PHE 128 7.851 17.179 7.360 1025 HZ PHE 128 HZ PHE 128 7.559 19.190 6.013 1026 H LYS 129 H LYS 129 14.784 18.087 5.374 1027 HA LYS 129 HA LYS 129 14.030 20.885 5.139 1028 1HB LYS 129 2HB LYS 129 16.443 20.350 5.871 1029 2HB LYS 129 1HB LYS 129 16.722 20.272 4.115 1030 1HG LYS 129 2HG LYS 129 15.203 22.410 5.685 1031 2HG LYS 129 1HG LYS 129 16.880 22.592 5.399 1032 1HD LYS 129 2HD LYS 129 16.373 23.735 3.537 1033 2HD LYS 129 1HD LYS 129 15.782 22.337 2.739 1034 1HE LYS 129 2HE LYS 129 14.083 23.987 4.728 1035 2HE LYS 129 1HE LYS 129 14.172 24.341 3.015 1036 1HZ LYS 129 1HZ LYS 129 13.275 21.989 2.691 1037 2HZ LYS 129 3HZ LYS 129 12.805 22.118 4.336 1038 3HZ LYS 129 2HZ LYS 129 12.244 23.202 3.163 1039 H LYS 130 H LYS 130 13.259 18.232 4.299 1040 HA LYS 130 HA LYS 130 12.807 17.135 2.231 1041 1HB LYS 130 2HB LYS 130 10.961 17.302 2.813 1042 2HB LYS 130 1HB LYS 130 10.924 19.101 3.052 1043 1HG LYS 130 2HG LYS 130 11.028 17.858 0.285 1044 2HG LYS 130 1HG LYS 130 9.599 17.534 1.152 1045 1HD LYS 130 2HD LYS 130 10.132 20.401 1.476 1046 2HD LYS 130 1HD LYS 130 10.353 19.994 -0.230 1047 1HE LYS 130 2HE LYS 130 7.970 18.772 0.165 1048 2HE LYS 130 1HE LYS 130 7.823 19.962 1.482 1049 1HZ LYS 130 2HZ LYS 130 8.617 20.752 -1.233 1050 2HZ LYS 130 1HZ LYS 130 6.984 20.595 -0.806 1051 3HZ LYS 130 3HZ LYS 130 7.964 21.704 0.022 1052 H GLU 131 H GLU 131 12.723 16.983 0.276 1053 HA GLU 131 HA GLU 131 13.270 19.331 -1.358 1054 1HB GLU 131 2HB GLU 131 15.298 18.298 -0.254 1055 2HB GLU 131 1HB GLU 131 15.265 17.148 -1.129 1056 1HG GLU 131 2HG GLU 131 16.148 19.930 -1.934 1057 2HG GLU 131 1HG GLU 131 16.818 18.377 -2.458 No H/Q in entry = 1057 Start of MODEL 11 1 1H ALA 1 3H ALA 1 4.305 8.190 2.009 2 2H ALA 1 2H ALA 1 3.872 7.689 3.503 3 3H ALA 1 1H ALA 1 2.713 8.259 2.471 4 HA ALA 1 HA ALA 1 3.141 10.408 2.775 5 1HB ALA 1 3HB ALA 1 2.918 8.627 4.938 6 2HB ALA 1 2HB ALA 1 4.497 9.307 5.295 7 3HB ALA 1 1HB ALA 1 3.124 10.405 5.249 8 H PHE 2 H PHE 2 5.969 8.495 4.190 9 HA PHE 2 HA PHE 2 7.817 10.711 3.699 10 1HB PHE 2 2HB PHE 2 9.156 8.164 3.433 11 2HB PHE 2 1HB PHE 2 9.566 9.626 4.428 12 HD1 PHE 2 HD1 PHE 2 7.043 6.728 4.484 13 HD2 PHE 2 HD2 PHE 2 9.550 9.404 6.669 14 HE1 PHE 2 HE1 PHE 2 6.449 5.593 6.609 15 HE2 PHE 2 HE2 PHE 2 9.015 8.334 8.725 16 HZ PHE 2 HZ PHE 2 7.442 6.401 8.734 17 H ASP 3 H ASP 3 6.458 8.681 1.161 18 HA ASP 3 HA ASP 3 8.648 8.200 -0.482 19 1HB ASP 3 2HB ASP 3 7.171 8.373 -2.409 20 2HB ASP 3 1HB ASP 3 6.533 7.374 -1.025 21 H GLY 4 H GLY 4 10.243 9.382 -1.220 22 1HA GLY 4 1HA GLY 4 10.348 11.549 -2.806 23 2HA GLY 4 2HA GLY 4 9.659 12.270 -1.452 24 H THR 5 H THR 5 11.041 13.663 -1.282 25 HA THR 5 HA THR 5 13.846 13.389 -0.215 26 HB THR 5 HB THR 5 14.102 15.502 -0.567 27 HG1 THR 5 1HG THR 5 11.497 15.445 -1.742 28 1HG2 THR 5 1HG2 THR 5 13.894 13.602 -2.630 29 2HG2 THR 5 3HG2 THR 5 12.739 14.777 -3.267 30 3HG2 THR 5 2HG2 THR 5 14.445 15.261 -3.061 31 H TRP 6 H TRP 6 14.393 14.581 1.272 32 HA TRP 6 HA TRP 6 12.647 15.645 3.392 33 1HB TRP 6 2HB TRP 6 14.061 12.895 3.136 34 2HB TRP 6 1HB TRP 6 13.827 13.737 4.649 35 HD1 TRP 6 HD1 TRP 6 12.212 11.029 3.125 36 HE1 TRP 6 HE1 TRP 6 9.667 10.926 3.103 37 HE3 TRP 6 HE3 TRP 6 11.041 15.931 4.368 38 HZ2 TRP 6 HZ2 TRP 6 7.503 12.563 3.492 39 HZ3 TRP 6 HZ3 TRP 6 8.734 16.500 4.479 40 HH2 TRP 6 HH2 TRP 6 6.952 14.872 4.052 41 H LYS 7 H LYS 7 14.276 16.077 5.255 42 HA LYS 7 HA LYS 7 17.153 16.001 4.387 43 1HB LYS 7 2HB LYS 7 16.046 18.632 4.844 44 2HB LYS 7 1HB LYS 7 17.466 18.181 4.027 45 1HG LYS 7 2HG LYS 7 16.164 17.072 2.258 46 2HG LYS 7 1HG LYS 7 14.671 17.408 2.790 47 1HD LYS 7 2HD LYS 7 14.831 19.026 1.197 48 2HD LYS 7 1HD LYS 7 15.837 20.037 2.199 49 1HE LYS 7 2HE LYS 7 17.199 17.946 0.479 50 2HE LYS 7 1HE LYS 7 16.443 19.352 -0.224 51 1HZ LYS 7 2HZ LYS 7 17.738 20.790 1.146 52 2HZ LYS 7 1HZ LYS 7 18.588 19.454 1.756 53 3HZ LYS 7 3HZ LYS 7 18.682 19.823 0.107 54 H VAL 8 H VAL 8 17.439 18.412 6.098 55 HA VAL 8 HA VAL 8 16.158 17.804 8.610 56 HB VAL 8 HB VAL 8 19.039 17.302 8.409 57 1HG1 VAL 8 3HG1 VAL 8 17.640 18.897 10.430 58 2HG1 VAL 8 2HG1 VAL 8 18.030 17.345 11.137 59 3HG1 VAL 8 1HG1 VAL 8 19.313 18.438 10.497 60 1HG2 VAL 8 3HG2 VAL 8 16.685 15.688 9.370 61 2HG2 VAL 8 2HG2 VAL 8 17.989 15.292 8.262 62 3HG2 VAL 8 1HG2 VAL 8 18.338 15.400 10.007 63 H ASP 9 H ASP 9 15.280 19.646 7.635 64 HA ASP 9 HA ASP 9 16.338 22.123 6.925 65 1HB ASP 9 2HB ASP 9 13.999 21.082 7.231 66 2HB ASP 9 1HB ASP 9 14.109 21.614 8.846 67 H ARG 10 H ARG 10 15.528 20.711 10.049 68 HA ARG 10 HA ARG 10 17.207 22.830 11.397 69 1HB ARG 10 2HB ARG 10 15.064 22.625 13.022 70 2HB ARG 10 1HB ARG 10 15.300 23.872 11.768 71 1HG ARG 10 2HG ARG 10 13.917 21.313 10.921 72 2HG ARG 10 1HG ARG 10 13.044 22.223 12.103 73 1HD ARG 10 2HD ARG 10 14.044 23.881 9.793 74 2HD ARG 10 1HD ARG 10 12.689 22.712 9.526 75 HE ARG 10 HE ARG 10 12.633 25.182 10.909 76 1HH1 ARG 10 2HH1 ARG 10 11.328 21.966 10.948 77 2HH1 ARG 10 1HH1 ARG 10 9.834 22.298 11.729 78 1HH2 ARG 10 1HH2 ARG 10 10.555 25.769 12.025 79 2HH2 ARG 10 2HH2 ARG 10 9.433 24.456 12.336 80 H ASN 11 H ASN 11 17.727 22.127 13.613 81 HA ASN 11 HA ASN 11 17.101 19.286 14.105 82 1HB ASN 11 2HB ASN 11 19.786 19.217 14.619 83 2HB ASN 11 1HB ASN 11 19.047 18.687 13.109 84 1HD2 ASN 11 2HD2 ASN 11 21.449 20.790 11.543 85 2HD2 ASN 11 1HD2 ASN 11 20.898 19.165 11.780 86 H GLU 12 H GLU 12 16.928 18.908 16.148 87 HA GLU 12 HA GLU 12 18.185 20.804 18.139 88 1HB GLU 12 2HB GLU 12 16.442 21.044 19.488 89 2HB GLU 12 1HB GLU 12 15.721 21.243 17.875 90 1HG GLU 12 2HG GLU 12 14.398 19.343 18.136 91 2HG GLU 12 1HG GLU 12 15.544 18.487 19.149 92 H ASN 13 H ASN 13 18.527 19.938 20.164 93 HA ASN 13 HA ASN 13 19.313 18.294 21.614 94 1HB ASN 13 2HB ASN 13 17.104 16.773 20.193 95 2HB ASN 13 1HB ASN 13 18.151 16.042 21.382 96 1HD2 ASN 13 1HD2 ASN 13 16.429 19.286 23.207 97 2HD2 ASN 13 2HD2 ASN 13 17.726 19.428 22.093 98 H TYR 14 H TYR 14 20.164 18.543 18.526 99 HA TYR 14 HA TYR 14 21.301 15.983 17.848 100 1HB TYR 14 2HB TYR 14 20.107 17.723 16.580 101 2HB TYR 14 1HB TYR 14 21.647 18.490 16.387 102 HD1 TYR 14 HD1 TYR 14 23.616 16.696 15.680 103 HD2 TYR 14 HD2 TYR 14 19.343 16.212 15.118 104 HE1 TYR 14 HE1 TYR 14 24.042 15.066 13.877 105 HE2 TYR 14 HE2 TYR 14 19.789 14.570 13.307 106 HH TYR 14 HH TYR 14 22.292 14.292 11.646 107 H GLU 15 H GLU 15 22.522 18.907 19.538 108 HA GLU 15 HA GLU 15 25.311 18.521 18.689 109 1HB GLU 15 2HB GLU 15 24.280 20.696 19.351 110 2HB GLU 15 1HB GLU 15 24.322 20.056 21.045 111 1HG GLU 15 2HG GLU 15 26.823 19.626 20.645 112 2HG GLU 15 1HG GLU 15 26.641 20.435 19.046 113 H LYS 16 H LYS 16 23.444 17.928 21.699 114 HA LYS 16 HA LYS 16 25.668 16.643 23.138 115 1HB LYS 16 2HB LYS 16 23.672 18.005 23.975 116 2HB LYS 16 1HB LYS 16 22.871 16.389 23.912 117 1HG LYS 16 2HG LYS 16 24.453 15.410 25.388 118 2HG LYS 16 1HG LYS 16 25.466 16.911 25.433 119 1HD LYS 16 2HD LYS 16 24.231 17.613 27.137 120 2HD LYS 16 1HD LYS 16 22.898 17.804 26.130 121 1HE LYS 16 2HE LYS 16 22.120 15.428 26.726 122 2HE LYS 16 1HE LYS 16 23.534 15.345 27.843 123 1HZ LYS 16 2HZ LYS 16 22.350 17.606 28.604 124 2HZ LYS 16 1HZ LYS 16 21.014 16.797 28.010 125 3HZ LYS 16 3HZ LYS 16 21.982 16.092 29.219 126 H PHE 17 H PHE 17 23.034 15.718 20.984 127 HA PHE 17 HA PHE 17 22.484 13.066 21.653 128 1HB PHE 17 2HB PHE 17 20.982 13.812 20.285 129 2HB PHE 17 1HB PHE 17 22.086 14.894 19.395 130 HD1 PHE 17 HD1 PHE 17 20.887 11.433 19.847 131 HD2 PHE 17 HD2 PHE 17 23.045 14.037 17.290 132 HE1 PHE 17 HE1 PHE 17 20.879 9.661 18.120 133 HE2 PHE 17 HE2 PHE 17 23.037 12.273 15.518 134 HZ PHE 17 HZ PHE 17 21.981 10.130 15.925 135 H MET 18 H MET 18 24.788 14.368 19.322 136 HA MET 18 HA MET 18 25.952 11.880 18.331 137 1HB MET 18 2HB MET 18 26.166 14.808 18.017 138 2HB MET 18 1HB MET 18 27.731 13.916 17.847 139 1HG MET 18 2HG MET 18 26.376 12.259 16.357 140 2HG MET 18 1HG MET 18 25.120 13.485 16.314 141 1HE MET 18 1HE MET 18 24.943 13.309 14.162 142 2HE MET 18 3HE MET 18 25.858 14.279 12.937 143 3HE MET 18 2HE MET 18 26.326 12.582 13.337 144 H GLU 19 H GLU 19 26.834 14.548 20.407 145 HA GLU 19 HA GLU 19 29.406 14.121 21.087 146 1HB GLU 19 2HB GLU 19 27.224 15.598 22.058 147 2HB GLU 19 1HB GLU 19 27.604 14.594 23.423 148 1HG GLU 19 2HG GLU 19 28.976 16.327 23.925 149 2HG GLU 19 1HG GLU 19 30.119 15.243 23.143 150 H LYS 20 H LYS 20 26.569 12.803 22.796 151 HA LYS 20 HA LYS 20 27.897 11.595 24.919 152 1HB LYS 20 2HB LYS 20 25.212 10.799 23.920 153 2HB LYS 20 1HB LYS 20 25.991 10.526 25.517 154 1HG LYS 20 2HG LYS 20 26.051 13.361 24.692 155 2HG LYS 20 1HG LYS 20 24.386 12.701 25.000 156 1HD LYS 20 2HD LYS 20 24.874 13.220 27.104 157 2HD LYS 20 1HD LYS 20 25.590 11.640 27.095 158 1HE LYS 20 2HE LYS 20 27.752 13.095 26.248 159 2HE LYS 20 1HE LYS 20 26.864 14.338 27.268 160 1HZ LYS 20 2HZ LYS 20 26.812 11.927 28.625 161 2HZ LYS 20 1HZ LYS 20 28.397 12.171 28.046 162 3HZ LYS 20 3HZ LYS 20 27.667 13.331 28.980 163 H MET 21 H MET 21 27.595 10.457 21.639 164 HA MET 21 HA MET 21 28.144 7.642 22.370 165 1HB MET 21 2HB MET 21 28.460 8.174 19.557 166 2HB MET 21 1HB MET 21 27.566 6.913 20.484 167 1HG MET 21 2HG MET 21 25.969 9.239 20.844 168 2HG MET 21 1HG MET 21 26.663 9.471 19.232 169 1HE MET 21 1HE MET 21 24.323 8.270 21.545 170 2HE MET 21 3HE MET 21 23.247 8.671 20.179 171 3HE MET 21 2HE MET 21 23.273 7.018 20.803 172 H GLY 22 H GLY 22 29.860 10.333 22.427 173 1HA GLY 22 1HA GLY 22 32.121 10.434 22.996 174 2HA GLY 22 2HA GLY 22 32.458 8.969 22.108 175 H ILE 23 H ILE 23 30.397 11.462 20.769 176 HA ILE 23 HA ILE 23 32.055 11.764 18.430 177 HB ILE 23 HB ILE 23 29.575 13.132 19.451 178 1HG1 ILE 23 2HG1 ILE 23 28.567 11.978 17.699 179 2HG1 ILE 23 1HG1 ILE 23 30.106 11.922 16.741 180 1HG2 ILE 23 2HG2 ILE 23 30.935 14.949 18.472 181 2HG2 ILE 23 1HG2 ILE 23 31.154 14.024 16.989 182 3HG2 ILE 23 3HG2 ILE 23 29.530 14.544 17.431 183 1HD1 ILE 23 3HD1 ILE 23 29.597 10.251 19.270 184 2HD1 ILE 23 2HD1 ILE 23 29.369 9.652 17.650 185 3HD1 ILE 23 1HD1 ILE 23 30.996 10.121 18.175 186 H ASN 24 H ASN 24 31.857 13.422 21.470 187 HA ASN 24 HA ASN 24 33.043 15.179 22.350 188 1HB ASN 24 2HB ASN 24 34.596 13.269 22.136 189 2HB ASN 24 1HB ASN 24 35.418 14.272 20.963 190 1HD2 ASN 24 1HD2 ASN 24 37.037 15.866 23.668 191 2HD2 ASN 24 2HD2 ASN 24 37.154 15.049 22.137 192 H VAL 25 H VAL 25 35.396 16.459 20.998 193 HA VAL 25 HA VAL 25 34.045 18.628 19.790 194 HB VAL 25 HB VAL 25 35.764 19.817 19.479 195 1HG1 VAL 25 3HG1 VAL 25 34.406 19.729 21.543 196 2HG1 VAL 25 2HG1 VAL 25 35.498 18.511 22.194 197 3HG1 VAL 25 1HG1 VAL 25 36.075 20.186 21.902 198 1HG2 VAL 25 1HG2 VAL 25 37.643 17.863 19.305 199 2HG2 VAL 25 3HG2 VAL 25 37.992 19.116 20.536 200 3HG2 VAL 25 2HG2 VAL 25 37.276 17.528 20.988 201 H VAL 26 H VAL 26 35.289 15.811 18.157 202 HA VAL 26 HA VAL 26 36.215 16.726 15.736 203 HB VAL 26 HB VAL 26 34.886 14.270 16.621 204 1HG1 VAL 26 2HG1 VAL 26 35.553 15.009 13.702 205 2HG1 VAL 26 1HG1 VAL 26 35.347 13.337 14.235 206 3HG1 VAL 26 3HG1 VAL 26 33.991 14.455 14.367 207 1HG2 VAL 26 1HG2 VAL 26 37.559 15.238 15.438 208 2HG2 VAL 26 3HG2 VAL 26 37.278 14.690 17.105 209 3HG2 VAL 26 2HG2 VAL 26 37.223 13.507 15.768 210 H LYS 27 H LYS 27 32.943 16.662 16.889 211 HA LYS 27 HA LYS 27 31.743 17.235 14.262 212 1HB LYS 27 2HB LYS 27 29.865 16.827 15.003 213 2HB LYS 27 1HB LYS 27 30.794 15.936 16.241 214 1HG LYS 27 2HG LYS 27 29.719 18.825 16.524 215 2HG LYS 27 1HG LYS 27 28.845 17.568 17.166 216 1HD LYS 27 2HD LYS 27 30.491 17.012 18.872 217 2HD LYS 27 1HD LYS 27 31.737 17.960 18.150 218 1HE LYS 27 2HE LYS 27 30.668 19.043 20.148 219 2HE LYS 27 1HE LYS 27 30.705 20.094 18.764 220 1HZ LYS 27 2HZ LYS 27 28.311 19.155 18.331 221 2HZ LYS 27 1HZ LYS 27 28.380 18.753 19.949 222 3HZ LYS 27 3HZ LYS 27 28.633 20.353 19.494 223 H ARG 28 H ARG 28 33.081 18.921 16.992 224 HA ARG 28 HA ARG 28 31.939 21.478 16.809 225 1HB ARG 28 2HB ARG 28 33.646 20.594 18.537 226 2HB ARG 28 1HB ARG 28 34.859 21.108 17.351 227 1HG ARG 28 2HG ARG 28 32.749 23.130 17.934 228 2HG ARG 28 1HG ARG 28 33.886 22.730 19.255 229 1HD ARG 28 2HD ARG 28 35.518 23.936 18.371 230 2HD ARG 28 1HD ARG 28 35.524 22.910 17.019 231 HE ARG 28 HE ARG 28 34.139 24.376 15.777 232 1HH1 ARG 28 2HH1 ARG 28 35.133 25.734 18.900 233 2HH1 ARG 28 1HH1 ARG 28 34.797 27.368 18.435 234 1HH2 ARG 28 1HH2 ARG 28 33.709 26.611 15.170 235 2HH2 ARG 28 2HH2 ARG 28 34.047 27.807 16.394 236 H LYS 29 H LYS 29 34.096 19.830 14.742 237 HA LYS 29 HA LYS 29 35.203 22.174 13.313 238 1HB LYS 29 2HB LYS 29 35.627 19.348 12.542 239 2HB LYS 29 1HB LYS 29 36.620 20.809 12.366 240 1HG LYS 29 2HG LYS 29 37.483 20.619 14.519 241 2HG LYS 29 1HG LYS 29 36.036 19.908 15.221 242 1HD LYS 29 2HD LYS 29 37.599 18.232 15.285 243 2HD LYS 29 1HD LYS 29 36.534 17.738 13.992 244 1HE LYS 29 2HE LYS 29 38.521 17.443 12.845 245 2HE LYS 29 1HE LYS 29 38.324 19.176 12.522 246 1HZ LYS 29 3HZ LYS 29 39.863 18.058 14.770 247 2HZ LYS 29 2HZ LYS 29 40.545 18.591 13.353 248 3HZ LYS 29 1HZ LYS 29 39.700 19.708 14.331 249 H LEU 30 H LEU 30 32.952 19.526 12.853 250 HA LEU 30 HA LEU 30 31.484 20.943 10.834 251 1HB LEU 30 2HB LEU 30 33.705 19.999 9.727 252 2HB LEU 30 1HB LEU 30 32.832 18.511 9.611 253 HG LEU 30 HG LEU 30 32.544 19.714 7.512 254 1HD1 LEU 30 3HD1 LEU 30 30.497 18.557 8.412 255 2HD1 LEU 30 2HD1 LEU 30 29.950 20.109 9.070 256 3HD1 LEU 30 1HD1 LEU 30 30.149 19.925 7.324 257 1HD2 LEU 30 1HD2 LEU 30 32.668 22.090 9.127 258 2HD2 LEU 30 3HD2 LEU 30 32.546 22.042 7.382 259 3HD2 LEU 30 2HD2 LEU 30 31.060 22.087 8.337 260 H GLY 31 H GLY 31 29.956 20.303 12.407 261 1HA GLY 31 1HA GLY 31 28.414 18.003 11.711 262 2HA GLY 31 2HA GLY 31 29.349 17.680 13.161 263 H ALA 32 H ALA 32 26.837 17.593 13.855 264 HA ALA 32 HA ALA 32 25.132 18.460 15.050 265 1HB ALA 32 3HB ALA 32 27.393 19.542 16.240 266 2HB ALA 32 2HB ALA 32 26.248 20.923 16.036 267 3HB ALA 32 1HB ALA 32 25.719 19.418 16.869 268 H HIS 33 H HIS 33 25.857 19.611 12.118 269 HA HIS 33 HA HIS 33 23.739 21.698 12.230 270 1HB HIS 33 2HB HIS 33 26.244 22.644 12.019 271 2HB HIS 33 1HB HIS 33 26.168 21.913 10.395 272 HD1 HIS 33 HD1 HIS 33 26.395 24.707 9.787 273 HD2 HIS 33 HD2 HIS 33 22.767 23.150 11.403 274 HE1 HIS 33 HE1 HIS 33 24.535 26.404 9.322 275 HE2 HIS 33 HE2 HIS 33 22.386 25.443 10.292 276 H ASP 34 H ASP 34 24.087 18.731 11.456 277 HA ASP 34 HA ASP 34 24.207 18.166 8.824 278 1HB ASP 34 2HB ASP 34 22.152 17.195 10.706 279 2HB ASP 34 1HB ASP 34 22.424 16.570 9.054 280 H ASN 35 H ASN 35 22.987 18.469 6.897 281 HA ASN 35 HA ASN 35 20.190 19.226 7.013 282 1HB ASN 35 2HB ASN 35 21.162 21.300 7.769 283 2HB ASN 35 1HB ASN 35 22.360 21.328 6.446 284 1HD2 ASN 35 1HD2 ASN 35 18.395 21.872 5.313 285 2HD2 ASN 35 2HD2 ASN 35 18.829 20.683 6.490 286 H LEU 36 H LEU 36 19.985 17.621 5.260 287 HA LEU 36 HA LEU 36 20.662 18.957 2.776 288 1HB LEU 36 2HB LEU 36 22.584 18.331 2.362 289 2HB LEU 36 1HB LEU 36 22.646 17.284 3.761 290 HG LEU 36 HG LEU 36 22.135 15.362 2.595 291 1HD1 LEU 36 2HD1 LEU 36 20.626 16.987 0.609 292 2HD1 LEU 36 1HD1 LEU 36 21.869 16.115 -0.239 293 3HD1 LEU 36 3HD1 LEU 36 20.775 15.195 0.756 294 1HD2 LEU 36 2HD2 LEU 36 24.274 16.882 2.119 295 2HD2 LEU 36 1HD2 LEU 36 24.097 15.540 0.928 296 3HD2 LEU 36 3HD2 LEU 36 23.516 17.135 0.504 297 H LYS 37 H LYS 37 20.412 15.335 3.148 298 HA LYS 37 HA LYS 37 17.656 15.452 2.653 299 1HB LYS 37 2HB LYS 37 19.041 15.776 0.218 300 2HB LYS 37 1HB LYS 37 18.796 14.083 0.247 301 1HG LYS 37 2HG LYS 37 16.413 14.430 0.739 302 2HG LYS 37 1HG LYS 37 16.613 16.184 0.458 303 1HD LYS 37 2HD LYS 37 17.135 13.768 -1.310 304 2HD LYS 37 1HD LYS 37 15.934 15.046 -1.604 305 1HE LYS 37 2HE LYS 37 17.850 16.702 -2.000 306 2HE LYS 37 1HE LYS 37 19.006 15.416 -1.705 307 1HZ LYS 37 2HZ LYS 37 17.915 14.261 -3.663 308 2HZ LYS 37 1HZ LYS 37 17.186 15.703 -4.038 309 3HZ LYS 37 3HZ LYS 37 18.888 15.569 -3.985 310 H LEU 38 H LEU 38 17.627 14.162 4.332 311 HA LEU 38 HA LEU 38 18.867 11.585 4.589 312 1HB LEU 38 2HB LEU 38 16.819 12.609 6.157 313 2HB LEU 38 1HB LEU 38 15.888 12.118 4.855 314 HG LEU 38 HG LEU 38 15.825 10.696 6.827 315 1HD1 LEU 38 3HD1 LEU 38 15.532 9.719 4.473 316 2HD1 LEU 38 2HD1 LEU 38 17.202 9.059 4.627 317 3HD1 LEU 38 1HD1 LEU 38 15.950 8.486 5.718 318 1HD2 LEU 38 2HD2 LEU 38 18.822 10.263 5.998 319 2HD2 LEU 38 1HD2 LEU 38 18.237 10.833 7.574 320 3HD2 LEU 38 3HD2 LEU 38 17.984 9.142 7.107 321 H THR 39 H THR 39 16.010 12.925 3.129 322 HA THR 39 HA THR 39 14.709 12.584 1.433 323 HB THR 39 HB THR 39 16.556 10.569 0.175 324 HG1 THR 39 1HG THR 39 18.001 11.925 0.952 325 1HG2 THR 39 3HG2 THR 39 14.543 11.554 -1.130 326 2HG2 THR 39 2HG2 THR 39 15.394 13.107 -1.226 327 3HG2 THR 39 1HG2 THR 39 16.102 11.700 -1.955 328 H ILE 40 H ILE 40 12.885 10.836 1.045 329 HA ILE 40 HA ILE 40 13.813 8.079 1.800 330 HB ILE 40 HB ILE 40 11.385 9.298 3.070 331 1HG1 ILE 40 2HG1 ILE 40 14.103 8.468 4.280 332 2HG1 ILE 40 1HG1 ILE 40 13.696 10.102 3.912 333 1HG2 ILE 40 2HG2 ILE 40 12.449 6.534 2.816 334 2HG2 ILE 40 1HG2 ILE 40 11.847 6.985 4.387 335 3HG2 ILE 40 3HG2 ILE 40 10.760 7.098 3.007 336 1HD1 ILE 40 1HD1 ILE 40 11.531 9.188 5.571 337 2HD1 ILE 40 3HD1 ILE 40 13.051 8.549 6.291 338 3HD1 ILE 40 2HD1 ILE 40 12.856 10.280 6.009 339 H THR 41 H THR 41 13.128 6.496 0.598 340 HA THR 41 HA THR 41 10.557 6.783 -0.913 341 HB THR 41 HB THR 41 12.950 5.671 -2.262 342 HG1 THR 41 1HG THR 41 13.261 7.843 -1.751 343 1HG2 THR 41 2HG2 THR 41 10.174 6.778 -3.127 344 2HG2 THR 41 1HG2 THR 41 11.427 6.309 -4.242 345 3HG2 THR 41 3HG2 THR 41 10.662 5.094 -3.172 346 H GLN 42 H GLN 42 9.502 5.339 0.099 347 HA GLN 42 HA GLN 42 10.475 2.905 1.320 348 1HB GLN 42 2HB GLN 42 7.988 4.296 0.624 349 2HB GLN 42 1HB GLN 42 7.828 2.550 0.365 350 1HG GLN 42 2HG GLN 42 8.329 2.149 2.790 351 2HG GLN 42 1HG GLN 42 8.778 3.830 2.983 352 1HE2 GLN 42 2HE2 GLN 42 5.583 4.174 4.397 353 2HE2 GLN 42 1HE2 GLN 42 7.305 4.035 4.594 354 H GLU 43 H GLU 43 10.142 0.768 0.561 355 HA GLU 43 HA GLU 43 9.688 0.468 -2.361 356 1HB GLU 43 2HB GLU 43 12.233 0.439 -0.982 357 2HB GLU 43 1HB GLU 43 11.992 -1.135 -1.658 358 1HG GLU 43 2HG GLU 43 11.350 1.062 -3.604 359 2HG GLU 43 1HG GLU 43 13.124 0.978 -3.006 360 H GLY 44 H GLY 44 8.095 -0.078 -0.147 361 1HA GLY 44 1HA GLY 44 6.883 -1.798 0.937 362 2HA GLY 44 2HA GLY 44 7.272 -2.784 -0.506 363 H ASN 45 H ASN 45 8.489 -1.486 2.483 364 HA ASN 45 HA ASN 45 9.339 -2.601 4.266 365 1HB ASN 45 2HB ASN 45 10.611 -4.628 2.361 366 2HB ASN 45 1HB ASN 45 10.711 -4.649 4.129 367 1HD2 ASN 45 2HD2 ASN 45 7.775 -6.682 2.412 368 2HD2 ASN 45 1HD2 ASN 45 9.330 -6.340 1.746 369 H LYS 46 H LYS 46 11.842 -3.082 1.546 370 HA LYS 46 HA LYS 46 13.796 -1.674 3.134 371 1HB LYS 46 2HB LYS 46 14.972 -2.381 1.370 372 2HB LYS 46 1HB LYS 46 13.517 -2.452 0.324 373 1HG LYS 46 2HG LYS 46 13.868 0.076 -0.072 374 2HG LYS 46 1HG LYS 46 15.418 -0.128 0.784 375 1HD LYS 46 2HD LYS 46 14.500 -1.112 -1.866 376 2HD LYS 46 1HD LYS 46 16.051 -0.384 -1.427 377 1HE LYS 46 2HE LYS 46 16.427 -2.558 0.034 378 2HE LYS 46 1HE LYS 46 15.089 -3.229 -0.887 379 1HZ LYS 46 3HZ LYS 46 17.495 -2.099 -2.193 380 2HZ LYS 46 2HZ LYS 46 17.383 -3.707 -1.647 381 3HZ LYS 46 1HZ LYS 46 16.312 -3.159 -2.833 382 H PHE 47 H PHE 47 14.695 0.397 2.471 383 HA PHE 47 HA PHE 47 12.859 2.099 0.958 384 1HB PHE 47 2HB PHE 47 12.824 3.971 2.509 385 2HB PHE 47 1HB PHE 47 11.684 2.625 2.825 386 HD1 PHE 47 HD1 PHE 47 12.318 0.841 4.469 387 HD2 PHE 47 HD2 PHE 47 14.034 4.725 4.540 388 HE1 PHE 47 HE1 PHE 47 12.967 0.569 6.885 389 HE2 PHE 47 HE2 PHE 47 14.672 4.479 6.870 390 HZ PHE 47 HZ PHE 47 14.144 2.389 8.087 391 H THR 48 H THR 48 14.313 2.310 -0.427 392 HA THR 48 HA THR 48 17.012 2.921 -0.237 393 HB THR 48 HB THR 48 15.069 3.906 -2.396 394 HG1 THR 48 1HG THR 48 16.650 1.657 -2.654 395 1HG2 THR 48 1HG2 THR 48 17.435 4.920 -2.400 396 2HG2 THR 48 3HG2 THR 48 18.096 3.320 -2.634 397 3HG2 THR 48 2HG2 THR 48 17.077 3.996 -3.897 398 H VAL 49 H VAL 49 17.203 4.501 1.393 399 HA VAL 49 HA VAL 49 15.825 7.107 0.902 400 HB VAL 49 HB VAL 49 16.685 7.829 3.019 401 1HG1 VAL 49 3HG1 VAL 49 14.908 5.771 2.942 402 2HG1 VAL 49 2HG1 VAL 49 16.167 5.085 4.007 403 3HG1 VAL 49 1HG1 VAL 49 15.404 6.659 4.399 404 1HG2 VAL 49 1HG2 VAL 49 18.509 5.409 2.882 405 2HG2 VAL 49 3HG2 VAL 49 18.958 7.121 3.054 406 3HG2 VAL 49 2HG2 VAL 49 18.216 6.213 4.410 407 H LYS 50 H LYS 50 17.297 8.938 0.557 408 HA LYS 50 HA LYS 50 19.824 8.084 -0.800 409 1HB LYS 50 2HB LYS 50 18.371 10.654 -0.411 410 2HB LYS 50 1HB LYS 50 20.191 10.780 -0.482 411 1HG LYS 50 2HG LYS 50 20.152 9.819 -2.732 412 2HG LYS 50 1HG LYS 50 18.334 9.727 -2.648 413 1HD LYS 50 2HD LYS 50 18.144 11.991 -2.429 414 2HD LYS 50 1HD LYS 50 19.943 12.245 -2.240 415 1HE LYS 50 2HE LYS 50 19.795 12.498 -4.594 416 2HE LYS 50 1HE LYS 50 19.710 10.708 -4.526 417 1HZ LYS 50 1HZ LYS 50 17.303 12.376 -4.320 418 2HZ LYS 50 3HZ LYS 50 17.956 11.910 -5.791 419 3HZ LYS 50 2HZ LYS 50 17.421 10.752 -4.684 420 H GLU 51 H GLU 51 19.708 10.881 1.358 421 HA GLU 51 HA GLU 51 20.357 11.031 3.530 422 1HB GLU 51 2HB GLU 51 20.438 8.342 3.587 423 2HB GLU 51 1HB GLU 51 22.129 8.567 3.176 424 1HG GLU 51 2HG GLU 51 22.734 9.327 5.160 425 2HG GLU 51 1HG GLU 51 21.162 10.146 5.462 426 H SER 52 H SER 52 21.647 12.706 3.240 427 HA SER 52 HA SER 52 24.402 12.075 2.303 428 1HB SER 52 2HB SER 52 22.976 12.431 0.361 429 2HB SER 52 1HB SER 52 22.828 14.159 0.846 430 HG SER 52 HG SER 52 24.833 12.930 -0.381 431 H SER 53 H SER 53 22.764 13.158 4.714 432 HA SER 53 HA SER 53 22.757 15.837 5.081 433 1HB SER 53 2HB SER 53 23.089 15.562 7.459 434 2HB SER 53 1HB SER 53 21.731 14.692 6.753 435 HG SER 53 HG SER 53 22.589 12.890 7.338 436 H ASN 54 H ASN 54 24.012 17.384 5.365 437 HA ASN 54 HA ASN 54 26.174 18.309 4.718 438 1HB ASN 54 2HB ASN 54 24.900 18.877 6.869 439 2HB ASN 54 1HB ASN 54 26.267 18.120 7.740 440 1HD2 ASN 54 2HD2 ASN 54 28.565 20.653 6.149 441 2HD2 ASN 54 1HD2 ASN 54 28.488 18.942 6.118 442 H PHE 55 H PHE 55 26.947 15.961 4.029 443 HA PHE 55 HA PHE 55 29.687 15.689 4.912 444 1HB PHE 55 2HB PHE 55 27.632 13.510 5.613 445 2HB PHE 55 1HB PHE 55 29.413 13.289 5.550 446 HD1 PHE 55 HD1 PHE 55 30.802 15.104 6.992 447 HD2 PHE 55 HD2 PHE 55 26.722 13.929 7.681 448 HE1 PHE 55 HE1 PHE 55 31.026 15.842 9.272 449 HE2 PHE 55 HE2 PHE 55 26.915 14.690 10.064 450 HZ PHE 55 HZ PHE 55 29.053 15.631 10.829 451 H ARG 56 H ARG 56 26.904 14.364 3.134 452 HA ARG 56 HA ARG 56 26.964 13.543 0.989 453 1HB ARG 56 2HB ARG 56 29.427 14.234 0.801 454 2HB ARG 56 1HB ARG 56 29.831 12.586 1.328 455 1HG ARG 56 2HG ARG 56 29.872 12.106 -0.868 456 2HG ARG 56 1HG ARG 56 28.159 11.929 -0.648 457 1HD ARG 56 2HD ARG 56 28.228 14.620 -1.195 458 2HD ARG 56 1HD ARG 56 29.741 14.125 -1.983 459 HE ARG 56 HE ARG 56 26.979 13.287 -2.661 460 1HH1 ARG 56 2HH2 ARG 56 30.383 13.280 -3.557 461 2HH1 ARG 56 1HH2 ARG 56 30.158 12.746 -5.172 462 1HH2 ARG 56 2HH1 ARG 56 26.661 12.586 -4.737 463 2HH2 ARG 56 1HH1 ARG 56 27.957 12.329 -5.879 464 H ASN 57 H ASN 57 26.132 12.529 3.234 465 HA ASN 57 HA ASN 57 26.847 10.327 4.477 466 1HB ASN 57 2HB ASN 57 24.485 11.707 4.242 467 2HB ASN 57 1HB ASN 57 24.047 9.973 3.802 468 1HD2 ASN 57 1HD2 ASN 57 24.693 10.950 7.629 469 2HD2 ASN 57 2HD2 ASN 57 24.454 12.136 6.405 470 H ILE 58 H ILE 58 24.408 9.380 1.977 471 HA ILE 58 HA ILE 58 25.758 8.252 0.031 472 HB ILE 58 HB ILE 58 26.635 6.801 2.397 473 1HG1 ILE 58 2HG1 ILE 58 27.091 5.258 0.042 474 2HG1 ILE 58 1HG1 ILE 58 26.994 6.913 -0.542 475 1HG2 ILE 58 1HG2 ILE 58 24.807 5.115 0.689 476 2HG2 ILE 58 3HG2 ILE 58 25.949 4.545 1.894 477 3HG2 ILE 58 2HG2 ILE 58 24.591 5.513 2.431 478 1HD1 ILE 58 3HD1 ILE 58 28.759 7.508 1.315 479 2HD1 ILE 58 2HD1 ILE 58 28.974 5.745 1.527 480 3HD1 ILE 58 1HD1 ILE 58 29.318 6.488 -0.024 481 H ASP 59 H ASP 59 24.364 7.118 -1.233 482 HA ASP 59 HA ASP 59 21.576 7.202 -0.625 483 1HB ASP 59 2HB ASP 59 21.488 5.164 -2.212 484 2HB ASP 59 1HB ASP 59 21.782 6.770 -2.814 485 H VAL 60 H VAL 60 20.882 6.058 1.318 486 HA VAL 60 HA VAL 60 22.181 3.452 1.828 487 HB VAL 60 HB VAL 60 20.065 4.457 3.611 488 1HG1 VAL 60 3HG1 VAL 60 22.528 2.765 3.850 489 2HG1 VAL 60 2HG1 VAL 60 22.133 3.825 5.195 490 3HG1 VAL 60 1HG1 VAL 60 20.926 2.648 4.605 491 1HG2 VAL 60 2HG2 VAL 60 22.896 5.639 3.376 492 2HG2 VAL 60 1HG2 VAL 60 21.383 6.589 3.272 493 3HG2 VAL 60 3HG2 VAL 60 21.929 5.834 4.814 494 H VAL 61 H VAL 61 20.536 1.922 2.805 495 HA VAL 61 HA VAL 61 17.839 1.765 1.743 496 HB VAL 61 HB VAL 61 18.614 1.218 -0.344 497 1HG1 VAL 61 1HG1 VAL 61 21.001 0.031 1.049 498 2HG1 VAL 61 3HG1 VAL 61 20.635 -0.374 -0.664 499 3HG1 VAL 61 2HG1 VAL 61 20.923 1.312 -0.180 500 1HG2 VAL 61 3HG2 VAL 61 17.365 -0.852 1.017 501 2HG2 VAL 61 2HG2 VAL 61 17.957 -1.091 -0.624 502 3HG2 VAL 61 1HG2 VAL 61 18.934 -1.639 0.735 503 H PHE 62 H PHE 62 16.722 0.259 3.148 504 HA PHE 62 HA PHE 62 18.707 -1.226 4.891 505 1HB PHE 62 2HB PHE 62 16.003 -0.204 5.721 506 2HB PHE 62 1HB PHE 62 17.244 -0.999 6.657 507 HD1 PHE 62 HD2 PHE 62 19.632 0.202 6.769 508 HD2 PHE 62 HD1 PHE 62 16.034 2.259 5.683 509 HE1 PHE 62 HE2 PHE 62 20.693 2.348 7.333 510 HE2 PHE 62 HE1 PHE 62 17.049 4.395 6.235 511 HZ PHE 62 HZ PHE 62 19.431 4.473 7.082 512 H GLU 63 H GLU 63 15.752 -1.595 2.918 513 HA GLU 63 HA GLU 63 14.396 -3.590 2.729 514 1HB GLU 63 2HB GLU 63 17.038 -4.572 2.911 515 2HB GLU 63 1HB GLU 63 16.107 -5.502 4.132 516 1HG GLU 63 2HG GLU 63 14.392 -5.502 1.872 517 2HG GLU 63 1HG GLU 63 15.945 -5.400 1.129 518 H LEU 64 H LEU 64 14.522 -1.647 4.930 519 HA LEU 64 HA LEU 64 13.437 -1.260 6.885 520 1HB LEU 64 2HB LEU 64 12.396 -3.903 6.249 521 2HB LEU 64 1HB LEU 64 12.485 -3.595 8.004 522 HG LEU 64 HG LEU 64 10.757 -2.483 5.831 523 1HD1 LEU 64 3HD1 LEU 64 10.401 -4.002 8.048 524 2HD1 LEU 64 2HD1 LEU 64 9.701 -2.467 8.609 525 3HD1 LEU 64 1HD1 LEU 64 9.100 -3.175 7.117 526 1HD2 LEU 64 3HD2 LEU 64 11.996 -0.746 8.060 527 2HD2 LEU 64 2HD2 LEU 64 11.189 -0.173 6.564 528 3HD2 LEU 64 1HD2 LEU 64 10.232 -0.681 7.961 529 H GLY 65 H GLY 65 14.368 -4.620 8.010 530 1HA GLY 65 1HA GLY 65 16.421 -3.099 9.617 531 2HA GLY 65 2HA GLY 65 15.435 -4.358 10.207 532 H VAL 66 H VAL 66 18.346 -3.389 8.546 533 HA VAL 66 HA VAL 66 19.357 -6.196 8.518 534 HB VAL 66 HB VAL 66 20.727 -5.703 6.630 535 1HG1 VAL 66 1HG1 VAL 66 17.712 -5.337 6.176 536 2HG1 VAL 66 3HG1 VAL 66 18.901 -5.713 4.884 537 3HG1 VAL 66 2HG1 VAL 66 18.625 -6.835 6.213 538 1HG2 VAL 66 3HG2 VAL 66 19.726 -2.926 6.919 539 2HG2 VAL 66 2HG2 VAL 66 21.132 -3.508 5.969 540 3HG2 VAL 66 1HG2 VAL 66 19.527 -3.563 5.279 541 H ASP 67 H ASP 67 20.870 -6.257 10.079 542 HA ASP 67 HA ASP 67 21.863 -3.979 11.434 543 1HB ASP 67 2HB ASP 67 22.971 -5.177 12.812 544 2HB ASP 67 1HB ASP 67 21.547 -6.155 12.318 545 H PHE 68 H PHE 68 23.717 -2.669 11.072 546 HA PHE 68 HA PHE 68 25.368 -3.423 8.681 547 1HB PHE 68 2HB PHE 68 24.337 -0.809 9.530 548 2HB PHE 68 1HB PHE 68 25.909 -0.937 8.700 549 HD1 PHE 68 HD2 PHE 68 24.735 -3.553 6.912 550 HD2 PHE 68 HD1 PHE 68 23.610 0.557 7.628 551 HE1 PHE 68 HE2 PHE 68 23.627 -3.437 4.775 552 HE2 PHE 68 HE1 PHE 68 22.508 0.640 5.486 553 HZ PHE 68 HZ PHE 68 22.474 -1.324 3.999 554 H ALA 69 H ALA 69 26.012 -0.867 10.841 555 HA ALA 69 HA ALA 69 27.463 -0.881 12.831 556 1HB ALA 69 1HB ALA 69 28.335 -3.257 12.394 557 2HB ALA 69 3HB ALA 69 29.311 -2.573 11.067 558 3HB ALA 69 2HB ALA 69 29.614 -2.029 12.728 559 H TYR 70 H TYR 70 26.882 1.059 11.526 560 HA TYR 70 HA TYR 70 29.437 2.180 10.421 561 1HB TYR 70 2HB TYR 70 27.955 2.075 8.531 562 2HB TYR 70 1HB TYR 70 26.539 2.447 9.532 563 HD1 TYR 70 HD1 TYR 70 29.892 4.204 9.456 564 HD2 TYR 70 HD2 TYR 70 25.748 4.581 8.547 565 HE1 TYR 70 HE1 TYR 70 30.229 6.633 8.949 566 HE2 TYR 70 HE2 TYR 70 26.048 6.946 8.036 567 HH TYR 70 HH TYR 70 28.974 8.600 8.852 568 H SER 71 H SER 71 30.256 3.628 11.693 569 HA SER 71 HA SER 71 29.035 4.671 13.981 570 1HB SER 71 2HB SER 71 30.726 5.969 14.320 571 2HB SER 71 1HB SER 71 31.465 4.941 13.138 572 HG SER 71 HG SER 71 30.603 7.591 12.876 573 H LEU 72 H LEU 72 27.457 5.829 14.348 574 HA LEU 72 HA LEU 72 25.790 7.044 12.496 575 1HB LEU 72 2HB LEU 72 24.578 7.961 14.402 576 2HB LEU 72 1HB LEU 72 25.148 6.345 14.842 577 HG LEU 72 HG LEU 72 25.693 7.310 16.709 578 1HD1 LEU 72 3HD1 LEU 72 28.142 7.944 15.010 579 2HD1 LEU 72 2HD1 LEU 72 27.993 8.641 16.621 580 3HD1 LEU 72 1HD1 LEU 72 27.900 6.879 16.441 581 1HD2 LEU 72 3HD2 LEU 72 25.270 9.857 15.203 582 2HD2 LEU 72 2HD2 LEU 72 24.723 9.369 16.783 583 3HD2 LEU 72 1HD2 LEU 72 26.368 10.021 16.552 584 H ALA 73 H ALA 73 27.152 8.082 11.182 585 HA ALA 73 HA ALA 73 28.296 9.835 10.184 586 1HB ALA 73 3HB ALA 73 25.888 10.849 11.487 587 2HB ALA 73 2HB ALA 73 27.091 12.094 10.992 588 3HB ALA 73 1HB ALA 73 26.455 10.869 9.814 589 H ASP 74 H ASP 74 30.203 9.051 11.594 590 HA ASP 74 HA ASP 74 32.187 9.752 12.530 591 1HB ASP 74 2HB ASP 74 31.100 12.311 12.366 592 2HB ASP 74 1HB ASP 74 31.971 11.957 13.894 593 H GLY 75 H GLY 75 32.635 8.450 14.183 594 1HA GLY 75 1HA GLY 75 32.444 9.011 16.838 595 2HA GLY 75 2HA GLY 75 30.844 8.446 16.592 596 H THR 76 H THR 76 30.493 6.139 16.512 597 HA THR 76 HA THR 76 32.995 4.419 16.501 598 HB THR 76 HB THR 76 31.273 5.007 18.637 599 HG1 THR 76 1HG THR 76 32.946 4.409 19.502 600 1HG2 THR 76 2HG2 THR 76 31.208 2.035 17.671 601 2HG2 THR 76 1HG2 THR 76 31.054 2.488 19.364 602 3HG2 THR 76 3HG2 THR 76 29.834 3.053 18.166 603 H GLU 77 H GLU 77 29.385 4.268 16.424 604 HA GLU 77 HA GLU 77 29.317 2.550 14.037 605 1HB GLU 77 2HB GLU 77 29.542 1.387 16.719 606 2HB GLU 77 1HB GLU 77 28.006 0.959 16.121 607 1HG GLU 77 2HG GLU 77 28.900 -0.490 14.464 608 2HG GLU 77 1HG GLU 77 30.195 0.624 14.042 609 H LEU 78 H LEU 78 26.926 1.311 14.651 610 HA LEU 78 HA LEU 78 24.693 2.078 15.785 611 1HB LEU 78 2HB LEU 78 25.479 4.493 14.196 612 2HB LEU 78 1HB LEU 78 24.162 3.749 13.405 613 HG LEU 78 HG LEU 78 24.084 4.755 16.235 614 1HD1 LEU 78 3HD1 LEU 78 23.451 5.998 13.906 615 2HD1 LEU 78 2HD1 LEU 78 21.931 5.091 14.095 616 3HD1 LEU 78 1HD1 LEU 78 22.376 6.246 15.322 617 1HD2 LEU 78 1HD2 LEU 78 22.589 2.575 14.684 618 2HD2 LEU 78 3HD2 LEU 78 22.840 2.667 16.409 619 3HD2 LEU 78 2HD2 LEU 78 21.548 3.633 15.616 620 H THR 79 H THR 79 25.359 0.017 15.102 621 HA THR 79 HA THR 79 24.828 -1.040 12.414 622 HB THR 79 HB THR 79 26.467 -2.103 13.945 623 HG1 THR 79 1HG THR 79 24.406 -3.838 13.311 624 1HG2 THR 79 1HG2 THR 79 24.102 -2.546 15.692 625 2HG2 THR 79 3HG2 THR 79 25.245 -3.898 15.539 626 3HG2 THR 79 2HG2 THR 79 25.793 -2.335 16.115 627 H GLY 80 H GLY 80 22.512 0.475 14.003 628 1HA GLY 80 1HA GLY 80 20.828 -1.722 14.931 629 2HA GLY 80 2HA GLY 80 20.442 0.023 14.750 630 H THR 81 H THR 81 18.831 -2.030 13.980 631 HA THR 81 HA THR 81 18.908 -2.128 11.003 632 HB THR 81 HB THR 81 16.919 -3.803 11.482 633 HG1 THR 81 1HG THR 81 17.418 -4.218 13.980 634 1HG2 THR 81 1HG2 THR 81 19.729 -4.359 12.041 635 2HG2 THR 81 3HG2 THR 81 18.649 -5.360 13.071 636 3HG2 THR 81 2HG2 THR 81 18.491 -5.378 11.333 637 H TRP 82 H TRP 82 18.455 0.079 11.196 638 HA TRP 82 HA TRP 82 16.352 1.369 12.305 639 1HB TRP 82 2HB TRP 82 17.125 1.976 9.341 640 2HB TRP 82 1HB TRP 82 16.308 3.019 10.498 641 HD1 TRP 82 HD1 TRP 82 19.853 1.350 11.319 642 HE1 TRP 82 HE1 TRP 82 21.457 3.286 11.569 643 HE3 TRP 82 HE3 TRP 82 16.831 5.283 9.985 644 HZ2 TRP 82 HZ2 TRP 82 21.552 6.081 11.284 645 HZ3 TRP 82 HZ3 TRP 82 17.725 7.527 10.007 646 HH2 TRP 82 HH2 TRP 82 20.098 7.986 10.647 647 H THR 83 H THR 83 14.249 0.158 12.187 648 HA THR 83 HA THR 83 13.228 -0.263 9.429 649 HB THR 83 HB THR 83 11.301 -1.366 10.592 650 HG1 THR 83 1HG THR 83 13.020 -1.506 12.769 651 1HG2 THR 83 1HG2 THR 83 14.011 -2.696 10.391 652 2HG2 THR 83 3HG2 THR 83 12.843 -3.447 11.538 653 3HG2 THR 83 2HG2 THR 83 12.377 -3.250 9.874 654 H MET 84 H MET 84 10.708 0.152 9.598 655 HA MET 84 HA MET 84 10.113 2.596 11.236 656 1HB MET 84 2HB MET 84 9.187 3.498 9.105 657 2HB MET 84 1HB MET 84 10.732 2.917 8.655 658 1HG MET 84 2HG MET 84 10.078 1.158 7.472 659 2HG MET 84 1HG MET 84 8.680 0.875 8.467 660 1HE MET 84 2HE MET 84 8.159 0.113 5.907 661 2HE MET 84 1HE MET 84 7.045 1.139 4.930 662 3HE MET 84 3HE MET 84 8.781 1.194 4.658 663 H GLU 85 H GLU 85 7.419 2.359 9.864 664 HA GLU 85 HA GLU 85 6.447 -0.314 10.498 665 1HB GLU 85 2HB GLU 85 7.125 0.906 12.798 666 2HB GLU 85 1HB GLU 85 5.593 1.782 12.455 667 1HG GLU 85 2HG GLU 85 4.865 -0.880 11.902 668 2HG GLU 85 1HG GLU 85 6.121 -1.172 13.015 669 H GLY 86 H GLY 86 6.288 1.667 8.489 670 1HA GLY 86 1HA GLY 86 4.614 2.441 7.098 671 2HA GLY 86 2HA GLY 86 3.369 1.947 8.365 672 H ASN 87 H ASN 87 3.163 3.232 10.276 673 HA ASN 87 HA ASN 87 3.051 6.015 9.716 674 1HB ASN 87 2HB ASN 87 1.362 5.135 10.524 675 2HB ASN 87 1HB ASN 87 2.242 4.771 12.105 676 1HD2 ASN 87 2HD2 ASN 87 1.415 7.983 13.314 677 2HD2 ASN 87 1HD2 ASN 87 1.328 6.237 13.506 678 H LYS 88 H LYS 88 5.878 4.381 10.366 679 HA LYS 88 HA LYS 88 7.361 6.704 10.979 680 1HB LYS 88 2HB LYS 88 8.070 6.003 13.275 681 2HB LYS 88 1HB LYS 88 6.671 6.953 13.203 682 1HG LYS 88 2HG LYS 88 5.295 4.889 13.569 683 2HG LYS 88 1HG LYS 88 6.825 3.924 13.552 684 1HD LYS 88 2HD LYS 88 7.408 4.623 15.691 685 2HD LYS 88 1HD LYS 88 7.009 6.273 15.301 686 1HE LYS 88 2HE LYS 88 5.356 5.975 16.819 687 2HE LYS 88 1HE LYS 88 4.509 5.372 15.363 688 1HZ LYS 88 2HZ LYS 88 5.942 3.585 17.224 689 2HZ LYS 88 1HZ LYS 88 4.310 4.012 17.367 690 3HZ LYS 88 3HZ LYS 88 4.859 3.171 16.002 691 H LEU 89 H LEU 89 9.234 6.418 10.726 692 HA LEU 89 HA LEU 89 10.764 4.013 10.127 693 1HB LEU 89 2HB LEU 89 11.126 6.950 10.277 694 2HB LEU 89 1HB LEU 89 12.323 6.080 11.119 695 HG LEU 89 HG LEU 89 13.330 5.241 9.285 696 1HD1 LEU 89 3HD1 LEU 89 10.579 4.773 8.270 697 2HD1 LEU 89 2HD1 LEU 89 11.604 5.432 6.979 698 3HD1 LEU 89 1HD1 LEU 89 12.077 3.938 7.776 699 1HD2 LEU 89 2HD2 LEU 89 11.843 7.734 8.300 700 2HD2 LEU 89 1HD2 LEU 89 13.579 7.516 8.730 701 3HD2 LEU 89 3HD2 LEU 89 12.986 6.879 7.207 702 H VAL 90 H VAL 90 12.869 4.178 11.517 703 HA VAL 90 HA VAL 90 12.848 4.653 14.326 704 HB VAL 90 HB VAL 90 13.216 1.779 13.817 705 1HG1 VAL 90 2HG1 VAL 90 13.124 3.588 16.051 706 2HG1 VAL 90 1HG1 VAL 90 11.719 2.551 16.256 707 3HG1 VAL 90 3HG1 VAL 90 13.294 1.815 16.129 708 1HG2 VAL 90 2HG2 VAL 90 10.702 2.220 12.990 709 2HG2 VAL 90 1HG2 VAL 90 10.850 1.183 14.389 710 3HG2 VAL 90 3HG2 VAL 90 10.392 2.846 14.646 711 H GLY 91 H GLY 91 14.817 5.477 14.035 712 1HA GLY 91 1HA GLY 91 16.774 4.782 12.170 713 2HA GLY 91 2HA GLY 91 16.993 5.710 13.643 714 H LYS 92 H LYS 92 15.732 3.373 15.020 715 HA LYS 92 HA LYS 92 16.402 1.798 16.454 716 1HB LYS 92 2HB LYS 92 17.159 0.515 13.806 717 2HB LYS 92 1HB LYS 92 17.299 -0.342 15.348 718 1HG LYS 92 2HG LYS 92 14.758 1.166 14.792 719 2HG LYS 92 1HG LYS 92 14.937 -0.450 14.197 720 1HD LYS 92 2HD LYS 92 15.970 -0.441 16.894 721 2HD LYS 92 1HD LYS 92 14.541 0.608 16.864 722 1HE LYS 92 2HE LYS 92 14.622 -2.280 15.750 723 2HE LYS 92 1HE LYS 92 14.094 -1.914 17.400 724 1HZ LYS 92 3HZ LYS 92 12.508 -0.331 16.208 725 2HZ LYS 92 2HZ LYS 92 12.814 -1.250 14.823 726 3HZ LYS 92 1HZ LYS 92 12.213 -2.010 16.202 727 H PHE 93 H PHE 93 18.777 -0.049 16.294 728 HA PHE 93 HA PHE 93 21.107 1.635 16.427 729 1HB PHE 93 2HB PHE 93 20.756 1.690 19.101 730 2HB PHE 93 1HB PHE 93 19.958 2.861 18.146 731 HD1 PHE 93 HD2 PHE 93 19.564 -0.799 19.117 732 HD2 PHE 93 HD1 PHE 93 17.572 2.967 18.853 733 HE1 PHE 93 HE2 PHE 93 17.591 -1.831 20.030 734 HE2 PHE 93 HE1 PHE 93 15.495 1.858 19.843 735 HZ PHE 93 HZ PHE 93 15.502 -0.508 20.414 736 H LYS 94 H LYS 94 22.209 1.168 18.435 737 HA LYS 94 HA LYS 94 22.761 0.065 20.269 738 1HB LYS 94 2HB LYS 94 21.886 -2.376 18.767 739 2HB LYS 94 1HB LYS 94 23.558 -2.531 19.618 740 1HG LYS 94 2HG LYS 94 22.689 -1.379 21.573 741 2HG LYS 94 1HG LYS 94 21.194 -1.157 20.926 742 1HD LYS 94 2HD LYS 94 20.596 -3.473 21.061 743 2HD LYS 94 1HD LYS 94 22.255 -3.992 21.343 744 1HE LYS 94 2HE LYS 94 20.977 -2.083 23.287 745 2HE LYS 94 1HE LYS 94 20.612 -3.839 23.382 746 1HZ LYS 94 1HZ LYS 94 23.298 -2.645 23.301 747 2HZ LYS 94 3HZ LYS 94 22.470 -2.879 24.748 748 3HZ LYS 94 2HZ LYS 94 22.895 -4.219 23.774 749 H ARG 95 H ARG 95 23.907 1.629 18.871 750 HA ARG 95 HA ARG 95 25.717 0.912 16.870 751 1HB ARG 95 2HB ARG 95 26.556 3.170 16.982 752 2HB ARG 95 1HB ARG 95 24.751 3.252 17.250 753 1HG ARG 95 2HG ARG 95 26.679 3.072 19.492 754 2HG ARG 95 1HG ARG 95 26.311 4.635 18.870 755 1HD ARG 95 2HD ARG 95 24.613 4.516 20.171 756 2HD ARG 95 1HD ARG 95 23.728 3.475 19.143 757 HE ARG 95 HE ARG 95 23.938 1.686 20.575 758 1HH1 ARG 95 1HH2 ARG 95 26.589 3.843 21.173 759 2HH1 ARG 95 2HH2 ARG 95 27.487 2.777 22.136 760 1HH2 ARG 95 1HH1 ARG 95 24.893 0.202 21.501 761 2HH2 ARG 95 2HH1 ARG 95 26.382 0.321 22.316 762 H VAL 96 H VAL 96 26.308 -0.621 19.561 763 HA VAL 96 HA VAL 96 28.230 -1.410 20.474 764 HB VAL 96 HB VAL 96 29.596 0.016 18.177 765 1HG1 VAL 96 3HG1 VAL 96 30.655 -1.776 20.113 766 2HG1 VAL 96 2HG1 VAL 96 30.458 -2.707 18.582 767 3HG1 VAL 96 1HG1 VAL 96 31.373 -1.209 18.614 768 1HG2 VAL 96 2HG2 VAL 96 27.822 -2.474 17.985 769 2HG2 VAL 96 1HG2 VAL 96 27.628 -0.911 17.164 770 3HG2 VAL 96 3HG2 VAL 96 28.961 -1.954 16.725 771 H ASP 97 H ASP 97 28.303 2.236 20.029 772 HA ASP 97 HA ASP 97 30.850 2.457 21.437 773 1HB ASP 97 2HB ASP 97 30.037 4.399 20.433 774 2HB ASP 97 1HB ASP 97 28.550 4.314 21.388 775 H ASN 98 H ASN 98 27.927 1.124 22.325 776 HA ASN 98 HA ASN 98 28.744 0.601 25.009 777 1HB ASN 98 2HB ASN 98 28.595 2.948 25.081 778 2HB ASN 98 1HB ASN 98 26.980 2.829 24.558 779 1HD2 ASN 98 2HD2 ASN 98 27.890 2.371 28.535 780 2HD2 ASN 98 1HD2 ASN 98 29.048 2.785 27.333 781 H GLY 99 H GLY 99 25.732 1.598 23.511 782 1HA GLY 99 1HA GLY 99 24.122 -0.473 23.039 783 2HA GLY 99 2HA GLY 99 24.002 -0.510 24.696 784 H LYS 100 H LYS 100 24.196 2.468 22.823 785 HA LYS 100 HA LYS 100 21.982 3.911 23.856 786 1HB LYS 100 2HB LYS 100 23.754 3.957 21.704 787 2HB LYS 100 1HB LYS 100 22.290 4.878 21.446 788 1HG LYS 100 2HG LYS 100 23.355 6.609 22.695 789 2HG LYS 100 1HG LYS 100 23.297 5.504 24.121 790 1HD LYS 100 2HD LYS 100 25.454 4.529 23.473 791 2HD LYS 100 1HD LYS 100 25.305 5.032 21.885 792 1HE LYS 100 2HE LYS 100 27.052 6.217 22.844 793 2HE LYS 100 1HE LYS 100 25.835 7.310 22.248 794 1HZ LYS 100 3HZ LYS 100 25.232 6.927 24.966 795 2HZ LYS 100 2HZ LYS 100 26.897 7.048 24.858 796 3HZ LYS 100 1HZ LYS 100 25.936 8.301 24.233 797 H GLU 101 H GLU 101 20.521 4.749 22.121 798 HA GLU 101 HA GLU 101 19.597 2.820 20.187 799 1HB GLU 101 2HB GLU 101 18.079 3.070 22.727 800 2HB GLU 101 1HB GLU 101 17.212 2.634 21.360 801 1HG GLU 101 2HG GLU 101 17.985 0.392 21.740 802 2HG GLU 101 1HG GLU 101 19.462 0.929 21.118 803 H LEU 102 H LEU 102 20.505 4.881 19.541 804 HA LEU 102 HA LEU 102 19.617 7.455 19.455 805 1HB LEU 102 2HB LEU 102 20.267 5.562 17.171 806 2HB LEU 102 1HB LEU 102 20.105 7.352 17.006 807 HG LEU 102 HG LEU 102 21.885 7.092 19.161 808 1HD1 LEU 102 2HD1 LEU 102 22.287 4.830 17.290 809 2HD1 LEU 102 1HD1 LEU 102 23.732 5.739 17.832 810 3HD1 LEU 102 3HD1 LEU 102 22.622 5.004 19.042 811 1HD2 LEU 102 1HD2 LEU 102 21.702 8.197 16.422 812 2HD2 LEU 102 3HD2 LEU 102 22.777 8.670 17.756 813 3HD2 LEU 102 2HD2 LEU 102 23.241 7.376 16.591 814 H ILE 103 H ILE 103 18.494 4.706 17.485 815 HA ILE 103 HA ILE 103 16.479 4.119 16.720 816 HB ILE 103 HB ILE 103 16.001 5.864 19.059 817 1HG1 ILE 103 2HG1 ILE 103 15.945 3.613 19.401 818 2HG1 ILE 103 1HG1 ILE 103 14.264 4.032 19.403 819 1HG2 ILE 103 2HG2 ILE 103 14.574 7.144 17.533 820 2HG2 ILE 103 1HG2 ILE 103 13.566 5.677 17.258 821 3HG2 ILE 103 3HG2 ILE 103 13.755 6.412 18.893 822 1HD1 ILE 103 2HD1 ILE 103 14.861 3.190 16.697 823 2HD1 ILE 103 1HD1 ILE 103 15.293 1.982 17.960 824 3HD1 ILE 103 3HD1 ILE 103 13.683 2.620 17.937 825 H ALA 104 H ALA 104 17.993 6.913 15.915 826 HA ALA 104 HA ALA 104 16.768 8.932 14.912 827 1HB ALA 104 3HB ALA 104 19.051 7.661 14.041 828 2HB ALA 104 2HB ALA 104 18.028 7.524 12.593 829 3HB ALA 104 1HB ALA 104 18.319 9.129 13.348 830 H VAL 105 H VAL 105 14.473 8.385 15.027 831 HA VAL 105 HA VAL 105 13.310 6.687 12.990 832 HB VAL 105 HB VAL 105 11.865 8.830 14.499 833 1HG1 VAL 105 1HG1 VAL 105 11.063 6.776 12.629 834 2HG1 VAL 105 3HG1 VAL 105 10.276 6.418 14.210 835 3HG1 VAL 105 2HG1 VAL 105 10.065 7.973 13.459 836 1HG2 VAL 105 2HG2 VAL 105 12.775 6.086 15.572 837 2HG2 VAL 105 1HG2 VAL 105 12.533 7.642 16.446 838 3HG2 VAL 105 3HG2 VAL 105 11.182 6.667 15.951 839 H ARG 106 H ARG 106 11.265 9.303 12.809 840 HA ARG 106 HA ARG 106 11.960 11.368 11.225 841 1HB ARG 106 2HB ARG 106 12.744 9.002 9.718 842 2HB ARG 106 1HB ARG 106 11.244 9.619 9.024 843 1HG ARG 106 2HG ARG 106 12.207 11.077 7.972 844 2HG ARG 106 1HG ARG 106 12.336 11.943 9.432 845 1HD ARG 106 2HD ARG 106 14.492 11.710 7.946 846 2HD ARG 106 1HD ARG 106 14.776 11.374 9.669 847 HE ARG 106 HE ARG 106 13.861 9.184 7.915 848 1HH1 ARG 106 2HH1 ARG 106 16.614 10.667 9.539 849 2HH1 ARG 106 1HH1 ARG 106 17.641 9.305 9.345 850 1HH2 ARG 106 1HH2 ARG 106 15.245 7.356 7.671 851 2HH2 ARG 106 2HH2 ARG 106 16.872 7.466 8.306 852 H GLU 107 H GLU 107 10.312 8.401 11.638 853 HA GLU 107 HA GLU 107 8.248 7.727 11.716 854 1HB GLU 107 2HB GLU 107 7.278 10.527 12.555 855 2HB GLU 107 1HB GLU 107 6.657 8.920 12.830 856 1HG GLU 107 2HG GLU 107 8.568 8.391 14.468 857 2HG GLU 107 1HG GLU 107 9.419 9.715 13.931 858 H ILE 108 H ILE 108 7.999 11.205 10.985 859 HA ILE 108 HA ILE 108 7.012 12.469 9.505 860 HB ILE 108 HB ILE 108 7.782 10.376 8.163 861 1HG1 ILE 108 2HG1 ILE 108 5.718 12.426 7.408 862 2HG1 ILE 108 1HG1 ILE 108 7.386 12.839 7.680 863 1HG2 ILE 108 3HG2 ILE 108 4.713 10.484 7.621 864 2HG2 ILE 108 2HG2 ILE 108 5.818 9.611 6.596 865 3HG2 ILE 108 1HG2 ILE 108 5.438 9.033 8.260 866 1HD1 ILE 108 2HD1 ILE 108 6.981 10.689 5.585 867 2HD1 ILE 108 1HD1 ILE 108 6.432 12.321 5.059 868 3HD1 ILE 108 3HD1 ILE 108 8.124 11.997 5.587 869 H SER 109 H SER 109 5.260 13.483 9.841 870 HA SER 109 HA SER 109 2.738 12.358 9.469 871 1HB SER 109 2HB SER 109 3.200 11.097 11.597 872 2HB SER 109 1HB SER 109 3.759 12.589 12.331 873 HG SER 109 HG SER 109 1.679 13.277 12.545 874 H GLY 110 H GLY 110 1.727 13.992 8.787 875 1HA GLY 110 1HA GLY 110 0.944 16.110 8.387 876 2HA GLY 110 2HA GLY 110 0.953 16.243 10.210 877 H ASN 111 H ASN 111 2.840 16.636 7.230 878 HA ASN 111 HA ASN 111 4.674 17.934 6.764 879 1HB ASN 111 2HB ASN 111 2.956 19.655 7.069 880 2HB ASN 111 1HB ASN 111 3.687 19.969 8.625 881 1HD2 ASN 111 2HD2 ASN 111 6.520 21.697 7.357 882 2HD2 ASN 111 1HD2 ASN 111 5.782 20.972 8.746 883 H GLU 112 H GLU 112 5.759 16.007 7.992 884 HA GLU 112 HA GLU 112 7.545 17.143 10.074 885 1HB GLU 112 2HB GLU 112 5.451 15.128 10.472 886 2HB GLU 112 1HB GLU 112 7.010 14.469 10.888 887 1HG GLU 112 2HG GLU 112 5.655 15.569 12.791 888 2HG GLU 112 1HG GLU 112 7.327 15.656 12.756 889 H LEU 113 H LEU 113 8.971 15.315 10.629 890 HA LEU 113 HA LEU 113 9.445 12.971 9.230 891 1HB LEU 113 2HB LEU 113 11.186 15.260 8.215 892 2HB LEU 113 1HB LEU 113 11.901 13.733 8.684 893 HG LEU 113 HG LEU 113 10.085 14.209 6.389 894 1HD1 LEU 113 2HD1 LEU 113 12.856 13.280 7.130 895 2HD1 LEU 113 1HD1 LEU 113 12.111 12.313 5.875 896 3HD1 LEU 113 3HD1 LEU 113 12.280 14.098 5.697 897 1HD2 LEU 113 2HD2 LEU 113 10.457 11.749 8.177 898 2HD2 LEU 113 1HD2 LEU 113 9.061 12.067 7.191 899 3HD2 LEU 113 3HD2 LEU 113 10.537 11.377 6.427 900 H ILE 114 H ILE 114 9.045 14.159 11.786 901 HA ILE 114 HA ILE 114 11.097 14.712 13.496 902 HB ILE 114 HB ILE 114 9.896 12.627 14.792 903 1HG1 ILE 114 2HG1 ILE 114 8.495 12.589 12.235 904 2HG1 ILE 114 1HG1 ILE 114 8.472 11.543 13.569 905 1HG2 ILE 114 1HG2 ILE 114 9.891 14.774 15.603 906 2HG2 ILE 114 3HG2 ILE 114 8.513 15.215 14.642 907 3HG2 ILE 114 2HG2 ILE 114 8.338 13.908 15.870 908 1HD1 ILE 114 1HD1 ILE 114 6.788 14.135 13.872 909 2HD1 ILE 114 3HD1 ILE 114 6.374 13.098 12.539 910 3HD1 ILE 114 2HD1 ILE 114 6.254 12.433 14.140 911 H GLN 115 H GLN 115 12.886 14.018 12.899 912 HA GLN 115 HA GLN 115 13.953 11.456 12.304 913 1HB GLN 115 2HB GLN 115 14.811 14.141 13.381 914 2HB GLN 115 1HB GLN 115 16.040 12.861 13.134 915 1HG GLN 115 2HG GLN 115 14.112 13.366 10.870 916 2HG GLN 115 1HG GLN 115 15.123 14.781 11.230 917 1HE2 GLN 115 2HE2 GLN 115 17.044 12.994 8.729 918 2HE2 GLN 115 1HE2 GLN 115 15.571 13.890 8.828 919 H THR 116 H THR 116 12.736 12.747 15.155 920 HA THR 116 HA THR 116 13.216 12.189 17.464 921 HB THR 116 HB THR 116 11.751 9.955 16.029 922 HG1 THR 116 1HG THR 116 10.501 12.033 17.340 923 1HG2 THR 116 3HG2 THR 116 12.077 10.684 18.994 924 2HG2 THR 116 2HG2 THR 116 10.457 10.387 18.428 925 3HG2 THR 116 1HG2 THR 116 11.672 9.121 18.231 926 H TYR 117 H TYR 117 15.754 11.701 16.938 927 HA TYR 117 HA TYR 117 15.875 8.766 17.434 928 1HB TYR 117 2HB TYR 117 18.528 9.961 17.783 929 2HB TYR 117 1HB TYR 117 18.081 8.736 16.819 930 HD1 TYR 117 HD1 TYR 117 16.658 11.809 15.279 931 HD2 TYR 117 HD2 TYR 117 20.172 9.422 15.821 932 HE1 TYR 117 HE1 TYR 117 17.830 12.879 13.283 933 HE2 TYR 117 HE2 TYR 117 21.224 10.440 13.890 934 HH TYR 117 HH TYR 117 19.583 13.014 12.056 935 H THR 118 H THR 118 15.550 8.256 19.325 936 HA THR 118 HA THR 118 16.390 9.960 21.566 937 HB THR 118 HB THR 118 14.584 7.612 21.747 938 HG1 THR 118 1HG THR 118 14.142 9.431 20.293 939 1HG2 THR 118 2HG2 THR 118 15.747 9.019 23.806 940 2HG2 THR 118 1HG2 THR 118 14.589 10.301 23.322 941 3HG2 THR 118 3HG2 THR 118 13.966 8.751 23.893 942 H TYR 119 H TYR 119 18.704 8.975 21.308 943 HA TYR 119 HA TYR 119 19.305 6.168 21.709 944 1HB TYR 119 2HB TYR 119 21.475 6.878 22.313 945 2HB TYR 119 1HB TYR 119 20.988 7.550 20.777 946 HD1 TYR 119 HD1 TYR 119 19.973 10.305 21.063 947 HD2 TYR 119 HD2 TYR 119 22.455 8.154 23.885 948 HE1 TYR 119 HE1 TYR 119 20.636 12.368 22.134 949 HE2 TYR 119 HE2 TYR 119 23.120 10.199 24.939 950 HH TYR 119 HH TYR 119 22.061 13.345 23.526 951 H GLU 120 H GLU 120 18.156 8.666 23.894 952 HA GLU 120 HA GLU 120 18.311 6.774 26.093 953 1HB GLU 120 2HB GLU 120 20.482 6.656 26.329 954 2HB GLU 120 1HB GLU 120 20.753 8.070 25.302 955 1HG GLU 120 2HG GLU 120 21.655 8.585 27.386 956 2HG GLU 120 1HG GLU 120 20.360 9.690 27.127 957 H GLY 121 H GLY 121 16.222 8.244 25.464 958 1HA GLY 121 1HA GLY 121 14.816 9.570 26.793 959 2HA GLY 121 2HA GLY 121 16.093 9.947 27.815 960 H VAL 122 H VAL 122 16.731 10.654 24.448 961 HA VAL 122 HA VAL 122 16.552 13.577 25.208 962 HB VAL 122 HB VAL 122 18.421 12.104 23.321 963 1HG1 VAL 122 1HG1 VAL 122 17.715 14.698 22.969 964 2HG1 VAL 122 3HG1 VAL 122 18.948 14.925 24.197 965 3HG1 VAL 122 2HG1 VAL 122 19.406 14.149 22.689 966 1HG2 VAL 122 1HG2 VAL 122 18.679 13.170 26.197 967 2HG2 VAL 122 3HG2 VAL 122 19.211 11.639 25.551 968 3HG2 VAL 122 2HG2 VAL 122 20.105 13.139 25.124 969 H GLU 123 H GLU 123 16.941 11.667 22.230 970 HA GLU 123 HA GLU 123 15.736 11.604 20.163 971 1HB GLU 123 2HB GLU 123 13.597 12.385 21.774 972 2HB GLU 123 1HB GLU 123 14.029 13.963 21.230 973 1HG GLU 123 2HG GLU 123 14.015 13.225 18.843 974 2HG GLU 123 1HG GLU 123 13.627 11.701 19.297 975 H ALA 124 H ALA 124 16.552 12.473 18.529 976 HA ALA 124 HA ALA 124 16.924 15.419 18.670 977 1HB ALA 124 1HB ALA 124 19.048 13.438 18.189 978 2HB ALA 124 3HB ALA 124 18.826 14.401 16.733 979 3HB ALA 124 2HB ALA 124 19.191 15.210 18.315 980 H LYS 125 H LYS 125 15.789 16.488 17.428 981 HA LYS 125 HA LYS 125 15.405 15.653 14.675 982 1HB LYS 125 2HB LYS 125 12.711 16.025 15.437 983 2HB LYS 125 1HB LYS 125 13.512 14.618 14.759 984 1HG LYS 125 2HG LYS 125 12.566 13.909 17.040 985 2HG LYS 125 1HG LYS 125 14.253 14.003 17.124 986 1HD LYS 125 2HD LYS 125 12.875 15.132 18.960 987 2HD LYS 125 1HD LYS 125 14.213 15.984 18.366 988 1HE LYS 125 2HE LYS 125 12.784 17.504 16.989 989 2HE LYS 125 1HE LYS 125 11.290 16.608 17.480 990 1HZ LYS 125 3HZ LYS 125 12.767 17.484 19.703 991 2HZ LYS 125 2HZ LYS 125 12.365 18.781 18.679 992 3HZ LYS 125 1HZ LYS 125 11.171 17.766 19.236 993 H ARG 126 H ARG 126 13.435 17.198 13.923 994 HA ARG 126 HA ARG 126 12.673 19.626 14.967 995 1HB ARG 126 2HB ARG 126 15.260 19.886 13.671 996 2HB ARG 126 1HB ARG 126 13.944 21.143 13.379 997 1HG ARG 126 2HG ARG 126 13.616 20.893 16.038 998 2HG ARG 126 1HG ARG 126 15.371 20.437 16.014 999 1HD ARG 126 2HD ARG 126 15.258 22.675 16.409 1000 2HD ARG 126 1HD ARG 126 15.829 22.538 14.726 1001 HE ARG 126 HE ARG 126 13.599 23.286 14.042 1002 1HH1 ARG 126 1HH2 ARG 126 14.004 23.279 17.697 1003 2HH1 ARG 126 2HH2 ARG 126 12.634 24.311 17.791 1004 1HH2 ARG 126 1HH1 ARG 126 11.842 24.633 14.504 1005 2HH2 ARG 126 2HH1 ARG 126 11.493 25.025 16.171 1006 H ILE 127 H ILE 127 14.128 17.973 12.175 1007 HA ILE 127 HA ILE 127 12.507 16.867 10.692 1008 HB ILE 127 HB ILE 127 11.111 19.534 10.771 1009 1HG1 ILE 127 2HG1 ILE 127 9.284 18.091 11.211 1010 2HG1 ILE 127 1HG1 ILE 127 10.158 16.682 10.592 1011 1HG2 ILE 127 2HG2 ILE 127 11.380 19.147 8.429 1012 2HG2 ILE 127 1HG2 ILE 127 10.558 17.557 8.648 1013 3HG2 ILE 127 3HG2 ILE 127 9.706 19.074 8.907 1014 1HD1 ILE 127 2HD1 ILE 127 11.698 16.685 12.540 1015 2HD1 ILE 127 1HD1 ILE 127 10.627 17.839 13.418 1016 3HD1 ILE 127 3HD1 ILE 127 10.081 16.244 13.004 1017 H PHE 128 H PHE 128 12.237 16.826 8.672 1018 HA PHE 128 HA PHE 128 14.306 17.061 6.895 1019 1HB PHE 128 2HB PHE 128 12.594 16.699 5.246 1020 2HB PHE 128 1HB PHE 128 12.121 15.705 6.565 1021 HD1 PHE 128 HD2 PHE 128 11.524 19.142 5.113 1022 HD2 PHE 128 HD1 PHE 128 9.769 15.968 7.223 1023 HE1 PHE 128 HE2 PHE 128 9.431 20.307 4.869 1024 HE2 PHE 128 HE1 PHE 128 7.507 17.176 6.995 1025 HZ PHE 128 HZ PHE 128 7.370 19.320 5.827 1026 H LYS 129 H LYS 129 14.466 17.949 5.102 1027 HA LYS 129 HA LYS 129 13.655 20.757 4.982 1028 1HB LYS 129 2HB LYS 129 16.058 20.381 5.645 1029 2HB LYS 129 1HB LYS 129 16.367 20.251 3.902 1030 1HG LYS 129 2HG LYS 129 14.863 22.410 5.462 1031 2HG LYS 129 1HG LYS 129 16.510 22.534 5.052 1032 1HD LYS 129 2HD LYS 129 15.862 23.710 3.217 1033 2HD LYS 129 1HD LYS 129 15.424 22.243 2.462 1034 1HE LYS 129 2HE LYS 129 13.670 24.419 3.451 1035 2HE LYS 129 1HE LYS 129 13.333 23.116 2.294 1036 1HZ LYS 129 3HZ LYS 129 13.027 22.668 5.190 1037 2HZ LYS 129 2HZ LYS 129 11.838 23.223 4.116 1038 3HZ LYS 129 1HZ LYS 129 12.527 21.739 3.837 1039 H LYS 130 H LYS 130 12.942 18.137 4.091 1040 HA LYS 130 HA LYS 130 12.630 16.981 2.057 1041 1HB LYS 130 2HB LYS 130 10.737 16.916 2.534 1042 2HB LYS 130 1HB LYS 130 10.512 18.693 2.864 1043 1HG LYS 130 2HG LYS 130 10.771 17.520 0.103 1044 2HG LYS 130 1HG LYS 130 9.346 17.095 0.935 1045 1HD LYS 130 2HD LYS 130 9.418 19.963 1.273 1046 2HD LYS 130 1HD LYS 130 9.979 19.682 -0.378 1047 1HE LYS 130 2HE LYS 130 7.873 18.881 -1.058 1048 2HE LYS 130 1HE LYS 130 7.578 18.056 0.477 1049 1HZ LYS 130 2HZ LYS 130 7.368 20.443 1.398 1050 2HZ LYS 130 1HZ LYS 130 6.982 20.775 -0.239 1051 3HZ LYS 130 3HZ LYS 130 6.086 19.663 0.661 1052 H GLU 131 H GLU 131 12.542 16.796 0.107 1053 HA GLU 131 HA GLU 131 12.936 19.180 -1.541 1054 1HB GLU 131 2HB GLU 131 14.988 18.190 -0.422 1055 2HB GLU 131 1HB GLU 131 14.921 17.030 -1.284 1056 1HG GLU 131 2HG GLU 131 16.670 18.750 -2.031 1057 2HG GLU 131 1HG GLU 131 15.736 18.066 -3.343 No H/Q in entry = 1057 Start of MODEL 12 1 1H ALA 1 2H ALA 1 4.170 7.747 3.339 2 2H ALA 1 1H ALA 1 2.546 7.951 3.618 3 3H ALA 1 3H ALA 1 3.278 8.737 2.376 4 HA ALA 1 HA ALA 1 3.100 10.376 4.047 5 1HB ALA 1 2HB ALA 1 2.857 8.157 5.573 6 2HB ALA 1 1HB ALA 1 4.542 8.515 5.923 7 3HB ALA 1 3HB ALA 1 3.294 9.751 6.314 8 H PHE 2 H PHE 2 5.940 8.037 4.253 9 HA PHE 2 HA PHE 2 7.672 10.470 4.037 10 1HB PHE 2 2HB PHE 2 9.254 8.092 3.857 11 2HB PHE 2 1HB PHE 2 9.379 9.580 4.882 12 HD1 PHE 2 HD2 PHE 2 6.970 6.530 4.804 13 HD2 PHE 2 HD1 PHE 2 9.476 9.133 7.086 14 HE1 PHE 2 HE2 PHE 2 6.357 5.339 6.808 15 HE2 PHE 2 HE1 PHE 2 8.860 7.932 9.101 16 HZ PHE 2 HZ PHE 2 7.277 6.001 8.995 17 H ASP 3 H ASP 3 6.213 8.767 1.517 18 HA ASP 3 HA ASP 3 8.348 8.123 -0.204 19 1HB ASP 3 2HB ASP 3 6.786 7.996 -1.910 20 2HB ASP 3 1HB ASP 3 5.760 7.919 -0.397 21 H GLY 4 H GLY 4 9.686 9.317 -1.664 22 1HA GLY 4 1HA GLY 4 9.888 11.508 -2.945 23 2HA GLY 4 2HA GLY 4 9.141 12.222 -1.621 24 H THR 5 H THR 5 10.320 13.557 -0.933 25 HA THR 5 HA THR 5 13.255 13.463 -0.191 26 HB THR 5 HB THR 5 13.315 15.607 -0.540 27 HG1 THR 5 1HG THR 5 10.679 15.273 -1.596 28 1HG2 THR 5 2HG2 THR 5 13.215 13.658 -2.541 29 2HG2 THR 5 1HG2 THR 5 11.933 14.738 -3.173 30 3HG2 THR 5 3HG2 THR 5 13.595 15.362 -2.986 31 H TRP 6 H TRP 6 13.797 14.869 1.225 32 HA TRP 6 HA TRP 6 12.085 15.705 3.456 33 1HB TRP 6 2HB TRP 6 13.661 13.091 3.054 34 2HB TRP 6 1HB TRP 6 13.586 13.982 4.615 35 HD1 TRP 6 HD1 TRP 6 12.017 11.153 3.199 36 HE1 TRP 6 HE1 TRP 6 9.535 10.791 3.359 37 HE3 TRP 6 HE3 TRP 6 10.615 15.927 4.645 38 HZ2 TRP 6 HZ2 TRP 6 7.290 12.323 3.927 39 HZ3 TRP 6 HZ3 TRP 6 8.269 16.300 4.945 40 HH2 TRP 6 HH2 TRP 6 6.587 14.499 4.583 41 H LYS 7 H LYS 7 13.803 16.523 5.169 42 HA LYS 7 HA LYS 7 16.632 16.675 4.290 43 1HB LYS 7 2HB LYS 7 15.409 19.347 4.309 44 2HB LYS 7 1HB LYS 7 16.758 18.684 3.511 45 1HG LYS 7 2HG LYS 7 15.413 17.340 2.070 46 2HG LYS 7 1HG LYS 7 13.920 17.693 2.596 47 1HD LYS 7 2HD LYS 7 13.894 19.054 0.877 48 2HD LYS 7 1HD LYS 7 14.972 20.229 1.536 49 1HE LYS 7 2HE LYS 7 16.611 18.055 0.436 50 2HE LYS 7 1HE LYS 7 15.583 18.708 -0.769 51 1HZ LYS 7 2HZ LYS 7 17.392 20.195 1.020 52 2HZ LYS 7 1HZ LYS 7 17.696 19.793 -0.592 53 3HZ LYS 7 3HZ LYS 7 16.512 20.921 -0.237 54 H VAL 8 H VAL 8 17.404 16.581 6.387 55 HA VAL 8 HA VAL 8 16.076 17.833 8.680 56 HB VAL 8 HB VAL 8 18.794 16.902 8.308 57 1HG1 VAL 8 2HG1 VAL 8 17.392 18.527 10.462 58 2HG1 VAL 8 1HG1 VAL 8 18.668 17.421 10.968 59 3HG1 VAL 8 3HG1 VAL 8 19.004 18.832 9.894 60 1HG2 VAL 8 3HG2 VAL 8 16.608 15.365 8.730 61 2HG2 VAL 8 2HG2 VAL 8 18.185 14.940 9.417 62 3HG2 VAL 8 1HG2 VAL 8 17.058 15.804 10.416 63 H ASP 9 H ASP 9 15.289 19.615 8.086 64 HA ASP 9 HA ASP 9 16.459 22.038 7.068 65 1HB ASP 9 2HB ASP 9 13.997 21.005 7.539 66 2HB ASP 9 1HB ASP 9 14.239 21.724 9.054 67 H ARG 10 H ARG 10 15.827 20.602 10.175 68 HA ARG 10 HA ARG 10 16.909 23.088 11.515 69 1HB ARG 10 2HB ARG 10 15.052 22.357 13.160 70 2HB ARG 10 1HB ARG 10 14.602 22.840 11.535 71 1HG ARG 10 2HG ARG 10 13.510 20.702 12.360 72 2HG ARG 10 1HG ARG 10 14.072 20.888 10.759 73 1HD ARG 10 2HD ARG 10 16.387 19.687 11.957 74 2HD ARG 10 1HD ARG 10 15.102 18.908 12.859 75 HE ARG 10 HE ARG 10 15.014 18.951 9.963 76 1HH1 ARG 10 1HH1 ARG 10 15.825 17.222 12.901 77 2HH1 ARG 10 2HH1 ARG 10 15.679 15.677 12.206 78 1HH2 ARG 10 2HH2 ARG 10 14.611 16.831 8.998 79 2HH2 ARG 10 1HH2 ARG 10 14.963 15.404 9.861 80 H ASN 11 H ASN 11 16.358 21.422 14.084 81 HA ASN 11 HA ASN 11 17.307 19.206 14.557 82 1HB ASN 11 2HB ASN 11 19.829 19.514 15.090 83 2HB ASN 11 1HB ASN 11 19.486 19.274 13.368 84 1HD2 ASN 11 1HD2 ASN 11 22.010 21.980 13.605 85 2HD2 ASN 11 2HD2 ASN 11 21.861 20.264 13.796 86 H GLU 12 H GLU 12 16.415 19.304 16.291 87 HA GLU 12 HA GLU 12 16.659 21.507 18.218 88 1HB GLU 12 2HB GLU 12 14.933 19.154 18.081 89 2HB GLU 12 1HB GLU 12 15.566 19.359 19.664 90 1HG GLU 12 2HG GLU 12 14.650 21.989 18.736 91 2HG GLU 12 1HG GLU 12 13.421 20.775 18.538 92 H ASN 13 H ASN 13 16.915 18.138 19.236 93 HA ASN 13 HA ASN 13 19.124 18.684 21.098 94 1HB ASN 13 2HB ASN 13 16.842 16.941 20.790 95 2HB ASN 13 1HB ASN 13 18.238 16.079 21.399 96 1HD2 ASN 13 1HD2 ASN 13 16.058 17.543 24.156 97 2HD2 ASN 13 2HD2 ASN 13 15.744 16.548 22.774 98 H TYR 14 H TYR 14 19.751 18.674 18.237 99 HA TYR 14 HA TYR 14 20.883 16.025 17.547 100 1HB TYR 14 2HB TYR 14 19.481 17.715 16.270 101 2HB TYR 14 1HB TYR 14 21.096 18.385 15.932 102 HD1 TYR 14 HD2 TYR 14 18.990 15.280 15.694 103 HD2 TYR 14 HD1 TYR 14 22.509 17.329 14.387 104 HE1 TYR 14 HE2 TYR 14 19.313 13.535 14.016 105 HE2 TYR 14 HE1 TYR 14 22.855 15.525 12.651 106 HH TYR 14 HH TYR 14 21.731 13.963 11.452 107 H GLU 15 H GLU 15 22.261 19.212 18.597 108 HA GLU 15 HA GLU 15 24.892 18.518 17.498 109 1HB GLU 15 2HB GLU 15 24.079 20.596 19.485 110 2HB GLU 15 1HB GLU 15 25.761 20.279 19.028 111 1HG GLU 15 2HG GLU 15 25.059 22.047 17.603 112 2HG GLU 15 1HG GLU 15 24.899 20.654 16.529 113 H LYS 16 H LYS 16 23.604 18.688 20.841 114 HA LYS 16 HA LYS 16 25.924 17.382 22.067 115 1HB LYS 16 2HB LYS 16 24.363 19.106 23.075 116 2HB LYS 16 1HB LYS 16 23.517 17.662 23.673 117 1HG LYS 16 2HG LYS 16 25.654 16.708 24.530 118 2HG LYS 16 1HG LYS 16 26.511 18.121 23.903 119 1HD LYS 16 2HD LYS 16 25.103 19.585 25.400 120 2HD LYS 16 1HD LYS 16 24.317 18.214 26.058 121 1HE LYS 16 2HE LYS 16 26.677 17.410 26.847 122 2HE LYS 16 1HE LYS 16 27.280 19.002 26.303 123 1HZ LYS 16 1HZ LYS 16 24.957 18.962 28.123 124 2HZ LYS 16 3HZ LYS 16 26.441 18.503 28.742 125 3HZ LYS 16 2HZ LYS 16 26.234 20.029 27.998 126 H PHE 17 H PHE 17 23.040 16.107 20.522 127 HA PHE 17 HA PHE 17 22.609 13.650 21.824 128 1HB PHE 17 2HB PHE 17 20.986 14.169 20.556 129 2HB PHE 17 1HB PHE 17 21.966 14.895 19.239 130 HD1 PHE 17 HD2 PHE 17 23.332 12.950 17.809 131 HD2 PHE 17 HD1 PHE 17 20.033 12.224 20.390 132 HE1 PHE 17 HE2 PHE 17 23.016 10.814 16.679 133 HE2 PHE 17 HE1 PHE 17 19.682 10.040 19.293 134 HZ PHE 17 HZ PHE 17 21.102 9.279 17.456 135 H MET 18 H MET 18 24.827 14.661 19.278 136 HA MET 18 HA MET 18 25.776 12.055 18.386 137 1HB MET 18 2HB MET 18 26.132 14.958 17.902 138 2HB MET 18 1HB MET 18 27.608 13.902 17.594 139 1HG MET 18 2HG MET 18 26.128 12.427 16.241 140 2HG MET 18 1HG MET 18 24.744 13.446 16.594 141 1HE MET 18 3HE MET 18 24.236 13.003 14.511 142 2HE MET 18 2HE MET 18 24.347 14.294 13.293 143 3HE MET 18 1HE MET 18 25.451 12.863 13.241 144 H GLU 19 H GLU 19 26.999 14.854 20.088 145 HA GLU 19 HA GLU 19 29.507 14.222 20.838 146 1HB GLU 19 2HB GLU 19 28.830 16.195 21.645 147 2HB GLU 19 1HB GLU 19 27.191 15.642 22.136 148 1HG GLU 19 2HG GLU 19 28.110 14.832 24.230 149 2HG GLU 19 1HG GLU 19 29.755 14.777 23.538 150 H LYS 20 H LYS 20 26.527 13.433 22.595 151 HA LYS 20 HA LYS 20 27.810 12.501 24.869 152 1HB LYS 20 2HB LYS 20 25.004 12.127 23.799 153 2HB LYS 20 1HB LYS 20 25.563 11.619 25.423 154 1HG LYS 20 2HG LYS 20 26.245 14.373 24.580 155 2HG LYS 20 1HG LYS 20 24.539 14.057 25.101 156 1HD LYS 20 2HD LYS 20 26.466 12.714 26.824 157 2HD LYS 20 1HD LYS 20 26.839 14.425 26.742 158 1HE LYS 20 2HE LYS 20 24.649 15.101 27.495 159 2HE LYS 20 1HE LYS 20 24.055 13.372 27.411 160 1HZ LYS 20 1HZ LYS 20 26.060 13.004 28.929 161 2HZ LYS 20 3HZ LYS 20 25.888 14.614 29.313 162 3HZ LYS 20 2HZ LYS 20 24.567 13.550 29.541 163 H MET 21 H MET 21 27.293 10.722 21.859 164 HA MET 21 HA MET 21 27.557 8.075 23.212 165 1HB MET 21 2HB MET 21 27.943 7.559 20.559 166 2HB MET 21 1HB MET 21 26.493 7.271 21.618 167 1HG MET 21 2HG MET 21 25.832 9.683 20.961 168 2HG MET 21 1HG MET 21 26.923 9.393 19.560 169 1HE MET 21 1HE MET 21 24.155 8.932 21.591 170 2HE MET 21 3HE MET 21 23.040 9.331 20.251 171 3HE MET 21 2HE MET 21 23.088 7.641 20.919 172 H GLY 22 H GLY 22 29.621 10.602 22.268 173 1HA GLY 22 1HA GLY 22 32.037 10.122 22.868 174 2HA GLY 22 2HA GLY 22 31.966 8.708 21.898 175 H ILE 23 H ILE 23 30.170 11.260 20.519 176 HA ILE 23 HA ILE 23 31.862 11.571 18.212 177 HB ILE 23 HB ILE 23 29.459 12.893 19.369 178 1HG1 ILE 23 2HG1 ILE 23 28.405 12.088 17.490 179 2HG1 ILE 23 1HG1 ILE 23 29.935 11.883 16.604 180 1HG2 ILE 23 2HG2 ILE 23 31.041 14.778 18.312 181 2HG2 ILE 23 1HG2 ILE 23 30.929 13.864 16.804 182 3HG2 ILE 23 3HG2 ILE 23 29.460 14.521 17.493 183 1HD1 ILE 23 2HD1 ILE 23 29.213 10.234 19.127 184 2HD1 ILE 23 1HD1 ILE 23 28.952 9.666 17.476 185 3HD1 ILE 23 3HD1 ILE 23 30.598 10.008 18.082 186 H ASN 24 H ASN 24 31.764 13.164 21.383 187 HA ASN 24 HA ASN 24 32.977 14.862 22.292 188 1HB ASN 24 2HB ASN 24 34.429 12.854 21.980 189 2HB ASN 24 1HB ASN 24 35.392 14.034 21.027 190 1HD2 ASN 24 1HD2 ASN 24 36.604 14.154 24.528 191 2HD2 ASN 24 2HD2 ASN 24 36.581 13.018 23.229 192 H VAL 25 H VAL 25 35.419 16.086 21.213 193 HA VAL 25 HA VAL 25 34.202 18.352 20.032 194 HB VAL 25 HB VAL 25 36.091 19.498 20.037 195 1HG1 VAL 25 3HG1 VAL 25 34.502 18.407 22.347 196 2HG1 VAL 25 2HG1 VAL 25 35.796 19.587 22.685 197 3HG1 VAL 25 1HG1 VAL 25 34.477 19.969 21.573 198 1HG2 VAL 25 2HG2 VAL 25 37.467 17.049 20.688 199 2HG2 VAL 25 1HG2 VAL 25 38.091 18.608 21.236 200 3HG2 VAL 25 3HG2 VAL 25 37.021 17.636 22.289 201 H VAL 26 H VAL 26 35.693 15.660 18.391 202 HA VAL 26 HA VAL 26 36.971 16.797 16.244 203 HB VAL 26 HB VAL 26 36.536 14.885 14.972 204 1HG1 VAL 26 3HG1 VAL 26 38.143 15.176 17.042 205 2HG1 VAL 26 2HG1 VAL 26 37.185 13.889 17.792 206 3HG1 VAL 26 1HG1 VAL 26 37.986 13.583 16.243 207 1HG2 VAL 26 3HG2 VAL 26 34.158 14.728 16.389 208 2HG2 VAL 26 2HG2 VAL 26 34.872 13.292 15.583 209 3HG2 VAL 26 1HG2 VAL 26 35.105 13.529 17.320 210 H LYS 27 H LYS 27 33.591 16.673 16.843 211 HA LYS 27 HA LYS 27 32.798 17.498 14.163 212 1HB LYS 27 2HB LYS 27 30.860 16.703 14.661 213 2HB LYS 27 1HB LYS 27 31.660 16.076 16.117 214 1HG LYS 27 2HG LYS 27 30.995 18.630 17.039 215 2HG LYS 27 1HG LYS 27 29.907 18.563 15.737 216 1HD LYS 27 2HD LYS 27 28.628 16.774 16.696 217 2HD LYS 27 1HD LYS 27 29.874 16.371 17.856 218 1HE LYS 27 2HE LYS 27 29.148 19.207 18.178 219 2HE LYS 27 1HE LYS 27 27.701 18.194 18.196 220 1HZ LYS 27 3HZ LYS 27 29.534 16.891 19.806 221 2HZ LYS 27 2HZ LYS 27 29.668 18.551 20.187 222 3HZ LYS 27 1HZ LYS 27 28.194 17.771 20.311 223 H ARG 28 H ARG 28 33.803 18.984 17.108 224 HA ARG 28 HA ARG 28 32.567 21.442 17.151 225 1HB ARG 28 2HB ARG 28 34.227 20.399 18.715 226 2HB ARG 28 1HB ARG 28 35.489 21.282 17.745 227 1HG ARG 28 2HG ARG 28 33.029 22.696 18.786 228 2HG ARG 28 1HG ARG 28 34.335 22.324 19.903 229 1HD ARG 28 2HD ARG 28 34.172 24.358 17.790 230 2HD ARG 28 1HD ARG 28 34.998 24.443 19.216 231 HE ARG 28 HE ARG 28 36.782 22.928 18.154 232 1HH1 ARG 28 2HH1 ARG 28 34.876 25.231 16.212 233 2HH1 ARG 28 1HH1 ARG 28 36.098 25.435 15.021 234 1HH2 ARG 28 1HH2 ARG 28 38.409 23.239 16.544 235 2HH2 ARG 28 2HH2 ARG 28 38.043 24.315 15.261 236 H LYS 29 H LYS 29 34.784 20.143 14.919 237 HA LYS 29 HA LYS 29 36.066 22.336 13.647 238 1HB LYS 29 2HB LYS 29 35.379 19.592 13.038 239 2HB LYS 29 1HB LYS 29 35.546 20.683 11.612 240 1HG LYS 29 2HG LYS 29 37.805 20.206 11.857 241 2HG LYS 29 1HG LYS 29 37.680 21.466 13.107 242 1HD LYS 29 2HD LYS 29 38.078 20.062 14.829 243 2HD LYS 29 1HD LYS 29 37.121 18.777 14.186 244 1HE LYS 29 2HE LYS 29 38.949 17.781 13.115 245 2HE LYS 29 1HE LYS 29 39.643 19.348 12.617 246 1HZ LYS 29 1HZ LYS 29 40.039 19.499 15.179 247 2HZ LYS 29 3HZ LYS 29 40.018 17.822 15.002 248 3HZ LYS 29 2HZ LYS 29 41.110 18.783 14.107 249 H LEU 30 H LEU 30 33.072 20.580 12.950 250 HA LEU 30 HA LEU 30 31.935 22.925 11.460 251 1HB LEU 30 2HB LEU 30 31.843 19.940 10.969 252 2HB LEU 30 1HB LEU 30 30.526 21.004 10.447 253 HG LEU 30 HG LEU 30 32.449 22.359 9.200 254 1HD1 LEU 30 3HD1 LEU 30 33.789 19.715 9.875 255 2HD1 LEU 30 2HD1 LEU 30 34.168 20.503 8.361 256 3HD1 LEU 30 1HD1 LEU 30 34.459 21.376 9.891 257 1HD2 LEU 30 1HD2 LEU 30 30.519 21.061 8.087 258 2HD2 LEU 30 3HD2 LEU 30 32.026 21.067 7.159 259 3HD2 LEU 30 2HD2 LEU 30 31.573 19.645 8.076 260 H GLY 31 H GLY 31 30.516 23.788 12.960 261 1HA GLY 31 1HA GLY 31 29.189 22.495 15.041 262 2HA GLY 31 2HA GLY 31 28.588 23.869 14.187 263 H ALA 32 H ALA 32 27.269 21.212 15.181 264 HA ALA 32 HA ALA 32 25.456 19.927 14.368 265 1HB ALA 32 3HB ALA 32 25.332 22.375 13.080 266 2HB ALA 32 2HB ALA 32 25.104 21.165 11.824 267 3HB ALA 32 1HB ALA 32 24.016 21.158 13.272 268 H HIS 33 H HIS 33 25.145 19.326 11.343 269 HA HIS 33 HA HIS 33 27.600 18.366 10.280 270 1HB HIS 33 2HB HIS 33 26.190 16.764 12.374 271 2HB HIS 33 1HB HIS 33 26.395 15.835 10.868 272 HD1 HIS 33 HD1 HIS 33 29.287 18.181 11.404 273 HD2 HIS 33 HD2 HIS 33 28.081 14.342 12.773 274 HE1 HIS 33 HE1 HIS 33 31.299 17.087 12.367 275 HE2 HIS 33 HE2 HIS 33 30.567 14.747 13.185 276 H ASP 34 H ASP 34 24.097 17.848 10.650 277 HA ASP 34 HA ASP 34 23.872 16.686 7.921 278 1HB ASP 34 2HB ASP 34 21.879 16.760 10.076 279 2HB ASP 34 1HB ASP 34 21.788 15.883 8.545 280 H ASN 35 H ASN 35 22.767 17.733 6.239 281 HA ASN 35 HA ASN 35 20.678 19.640 6.764 282 1HB ASN 35 2HB ASN 35 23.163 20.625 7.342 283 2HB ASN 35 1HB ASN 35 23.205 20.970 5.619 284 1HD2 ASN 35 1HD2 ASN 35 21.696 24.049 7.048 285 2HD2 ASN 35 2HD2 ASN 35 23.249 23.371 6.799 286 H LEU 36 H LEU 36 19.805 18.062 4.977 287 HA LEU 36 HA LEU 36 20.366 19.519 2.501 288 1HB LEU 36 2HB LEU 36 22.055 18.622 1.810 289 2HB LEU 36 1HB LEU 36 22.190 17.597 3.194 290 HG LEU 36 HG LEU 36 21.101 15.722 1.918 291 1HD1 LEU 36 1HD1 LEU 36 19.852 17.697 0.185 292 2HD1 LEU 36 3HD1 LEU 36 21.172 17.072 -0.763 293 3HD1 LEU 36 2HD1 LEU 36 20.015 15.928 -0.116 294 1HD2 LEU 36 1HD2 LEU 36 23.326 17.451 0.872 295 2HD2 LEU 36 3HD2 LEU 36 23.478 15.825 1.471 296 3HD2 LEU 36 2HD2 LEU 36 22.811 16.077 -0.175 297 H LYS 37 H LYS 37 19.699 16.065 2.986 298 HA LYS 37 HA LYS 37 16.960 16.223 2.487 299 1HB LYS 37 2HB LYS 37 18.196 16.438 0.048 300 2HB LYS 37 1HB LYS 37 18.173 14.734 0.157 301 1HG LYS 37 2HG LYS 37 15.732 14.700 0.544 302 2HG LYS 37 1HG LYS 37 15.695 16.464 0.439 303 1HD LYS 37 2HD LYS 37 16.416 14.321 -1.553 304 2HD LYS 37 1HD LYS 37 15.143 15.589 -1.686 305 1HE LYS 37 2HE LYS 37 16.689 16.702 -3.027 306 2HE LYS 37 1HE LYS 37 17.368 17.237 -1.522 307 1HZ LYS 37 3HZ LYS 37 18.567 14.770 -2.202 308 2HZ LYS 37 2HZ LYS 37 18.621 15.925 -3.454 309 3HZ LYS 37 1HZ LYS 37 19.246 16.257 -1.919 310 H LEU 38 H LEU 38 16.879 14.749 4.330 311 HA LEU 38 HA LEU 38 18.456 12.354 4.508 312 1HB LEU 38 2HB LEU 38 16.082 13.093 5.964 313 2HB LEU 38 1HB LEU 38 15.476 12.074 4.779 314 HG LEU 38 HG LEU 38 15.846 10.604 6.604 315 1HD1 LEU 38 3HD1 LEU 38 18.349 10.474 4.858 316 2HD1 LEU 38 2HD1 LEU 38 18.054 9.355 6.231 317 3HD1 LEU 38 1HD1 LEU 38 16.915 9.400 4.894 318 1HD2 LEU 38 2HD2 LEU 38 17.557 12.744 7.416 319 2HD2 LEU 38 1HD2 LEU 38 17.398 11.230 8.307 320 3HD2 LEU 38 3HD2 LEU 38 18.740 11.495 7.146 321 H THR 39 H THR 39 15.501 13.358 3.000 322 HA THR 39 HA THR 39 14.282 12.875 1.299 323 HB THR 39 HB THR 39 16.278 10.998 0.047 324 HG1 THR 39 1HG THR 39 17.456 12.762 0.923 325 1HG2 THR 39 3HG2 THR 39 14.237 11.688 -1.236 326 2HG2 THR 39 2HG2 THR 39 14.798 13.398 -1.294 327 3HG2 THR 39 1HG2 THR 39 15.721 12.106 -2.063 328 H ILE 40 H ILE 40 12.807 10.916 0.563 329 HA ILE 40 HA ILE 40 13.792 8.301 1.447 330 HB ILE 40 HB ILE 40 11.298 9.438 2.734 331 1HG1 ILE 40 2HG1 ILE 40 14.003 8.559 3.960 332 2HG1 ILE 40 1HG1 ILE 40 13.507 10.207 3.859 333 1HG2 ILE 40 2HG2 ILE 40 12.241 6.636 2.420 334 2HG2 ILE 40 1HG2 ILE 40 11.614 7.071 3.984 335 3HG2 ILE 40 3HG2 ILE 40 10.628 7.322 2.499 336 1HD1 ILE 40 3HD1 ILE 40 11.418 9.519 5.349 337 2HD1 ILE 40 2HD1 ILE 40 12.355 8.038 5.594 338 3HD1 ILE 40 1HD1 ILE 40 13.068 9.579 6.066 339 H THR 41 H THR 41 13.017 6.632 0.036 340 HA THR 41 HA THR 41 10.390 7.090 -1.244 341 HB THR 41 HB THR 41 12.574 5.924 -2.843 342 HG1 THR 41 1HG THR 41 12.915 8.109 -2.004 343 1HG2 THR 41 1HG2 THR 41 9.843 7.273 -3.426 344 2HG2 THR 41 3HG2 THR 41 11.037 6.935 -4.675 345 3HG2 THR 41 2HG2 THR 41 10.287 5.609 -3.749 346 H GLN 42 H GLN 42 9.289 5.469 -0.578 347 HA GLN 42 HA GLN 42 10.181 2.996 0.553 348 1HB GLN 42 2HB GLN 42 7.856 2.343 0.213 349 2HB GLN 42 1HB GLN 42 7.989 3.888 1.022 350 1HG GLN 42 2HG GLN 42 6.282 4.395 -0.430 351 2HG GLN 42 1HG GLN 42 7.611 4.961 -1.413 352 1HE2 GLN 42 1HE2 GLN 42 5.484 1.524 -2.405 353 2HE2 GLN 42 2HE2 GLN 42 5.460 2.122 -0.793 354 H GLU 43 H GLU 43 10.075 0.946 -0.229 355 HA GLU 43 HA GLU 43 9.666 0.393 -3.114 356 1HB GLU 43 2HB GLU 43 12.240 0.833 -1.843 357 2HB GLU 43 1HB GLU 43 12.129 -0.860 -2.349 358 1HG GLU 43 2HG GLU 43 11.966 -0.402 -4.596 359 2HG GLU 43 1HG GLU 43 11.312 1.317 -4.318 360 H GLY 44 H GLY 44 10.216 -2.259 -3.095 361 1HA GLY 44 1HA GLY 44 8.379 -3.427 -1.356 362 2HA GLY 44 2HA GLY 44 9.684 -4.326 -2.235 363 H ASN 45 H ASN 45 8.635 -2.873 0.688 364 HA ASN 45 HA ASN 45 9.313 -2.986 2.828 365 1HB ASN 45 2HB ASN 45 11.346 -5.024 1.803 366 2HB ASN 45 1HB ASN 45 11.131 -4.600 3.527 367 1HD2 ASN 45 1HD2 ASN 45 9.218 -7.748 3.066 368 2HD2 ASN 45 2HD2 ASN 45 10.845 -7.191 3.171 369 H LYS 46 H LYS 46 12.359 -3.251 0.815 370 HA LYS 46 HA LYS 46 13.683 -1.385 2.499 371 1HB LYS 46 2HB LYS 46 15.453 -1.913 1.152 372 2HB LYS 46 1HB LYS 46 14.251 -2.772 0.147 373 1HG LYS 46 2HG LYS 46 14.022 -0.206 -0.913 374 2HG LYS 46 1HG LYS 46 15.745 -0.329 -0.488 375 1HD LYS 46 2HD LYS 46 15.107 -1.056 -2.779 376 2HD LYS 46 1HD LYS 46 15.966 -2.328 -1.876 377 1HE LYS 46 2HE LYS 46 13.005 -2.376 -1.572 378 2HE LYS 46 1HE LYS 46 13.494 -2.636 -3.226 379 1HZ LYS 46 2HZ LYS 46 14.918 -4.151 -1.180 380 2HZ LYS 46 1HZ LYS 46 13.333 -4.572 -1.470 381 3HZ LYS 46 3HZ LYS 46 14.443 -4.579 -2.742 382 H PHE 47 H PHE 47 14.686 0.631 1.477 383 HA PHE 47 HA PHE 47 12.774 1.960 -0.330 384 1HB PHE 47 2HB PHE 47 13.540 3.772 1.847 385 2HB PHE 47 1HB PHE 47 11.948 3.521 1.058 386 HD1 PHE 47 HD1 PHE 47 14.284 2.714 3.705 387 HD2 PHE 47 HD2 PHE 47 10.358 1.862 2.319 388 HE1 PHE 47 HE1 PHE 47 13.799 1.639 5.896 389 HE2 PHE 47 HE2 PHE 47 9.787 0.789 4.420 390 HZ PHE 47 HZ PHE 47 11.539 0.665 6.264 391 H THR 48 H THR 48 13.721 3.192 -1.714 392 HA THR 48 HA THR 48 16.540 3.629 -1.660 393 HB THR 48 HB THR 48 14.443 4.872 -3.536 394 HG1 THR 48 1HG THR 48 15.881 2.518 -3.476 395 1HG2 THR 48 2HG2 THR 48 17.515 4.871 -3.532 396 2HG2 THR 48 1HG2 THR 48 16.636 5.099 -5.025 397 3HG2 THR 48 3HG2 THR 48 16.452 6.297 -3.730 398 H VAL 49 H VAL 49 16.572 4.803 0.413 399 HA VAL 49 HA VAL 49 15.353 7.549 0.373 400 HB VAL 49 HB VAL 49 15.791 7.759 2.584 401 1HG1 VAL 49 3HG1 VAL 49 14.026 6.015 2.236 402 2HG1 VAL 49 2HG1 VAL 49 15.294 4.772 2.289 403 3HG1 VAL 49 1HG1 VAL 49 14.968 5.723 3.731 404 1HG2 VAL 49 2HG2 VAL 49 18.071 5.811 2.173 405 2HG2 VAL 49 1HG2 VAL 49 18.045 7.261 3.144 406 3HG2 VAL 49 3HG2 VAL 49 17.279 5.751 3.737 407 H LYS 50 H LYS 50 16.889 9.303 0.584 408 HA LYS 50 HA LYS 50 19.513 8.623 -0.702 409 1HB LYS 50 2HB LYS 50 18.174 11.173 0.194 410 2HB LYS 50 1HB LYS 50 19.838 11.209 -0.402 411 1HG LYS 50 2HG LYS 50 19.099 10.258 -2.561 412 2HG LYS 50 1HG LYS 50 17.375 10.465 -2.051 413 1HD LYS 50 2HD LYS 50 17.722 12.563 -2.997 414 2HD LYS 50 1HD LYS 50 18.640 12.891 -1.467 415 1HE LYS 50 2HE LYS 50 20.615 11.814 -2.500 416 2HE LYS 50 1HE LYS 50 19.764 11.827 -4.095 417 1HZ LYS 50 1HZ LYS 50 19.555 14.224 -3.763 418 2HZ LYS 50 3HZ LYS 50 20.555 14.143 -2.406 419 3HZ LYS 50 2HZ LYS 50 21.168 13.671 -3.906 420 H GLU 51 H GLU 51 19.394 11.222 1.608 421 HA GLU 51 HA GLU 51 19.887 11.274 3.793 422 1HB GLU 51 2HB GLU 51 20.155 8.503 3.847 423 2HB GLU 51 1HB GLU 51 21.755 8.784 3.283 424 1HG GLU 51 2HG GLU 51 22.463 9.981 5.147 425 2HG GLU 51 1HG GLU 51 20.803 10.225 5.729 426 H SER 52 H SER 52 20.548 12.805 2.140 427 HA SER 52 HA SER 52 23.555 12.653 1.841 428 1HB SER 52 2HB SER 52 21.555 14.496 0.520 429 2HB SER 52 1HB SER 52 23.360 14.293 0.186 430 HG SER 52 HG SER 52 21.271 12.507 -0.037 431 H SER 53 H SER 53 24.783 14.549 2.982 432 HA SER 53 HA SER 53 23.059 16.400 4.385 433 1HB SER 53 2HB SER 53 23.012 15.797 6.489 434 2HB SER 53 1HB SER 53 22.772 14.261 5.664 435 HG SER 53 HG SER 53 24.850 15.098 7.250 436 H ASN 54 H ASN 54 25.287 16.737 2.729 437 HA ASN 54 HA ASN 54 27.265 18.021 2.694 438 1HB ASN 54 2HB ASN 54 25.782 19.240 4.394 439 2HB ASN 54 1HB ASN 54 27.008 18.629 5.573 440 1HD2 ASN 54 1HD2 ASN 54 28.197 22.004 4.474 441 2HD2 ASN 54 2HD2 ASN 54 26.870 21.329 5.366 442 H PHE 55 H PHE 55 27.186 15.030 4.154 443 HA PHE 55 HA PHE 55 30.026 15.264 4.993 444 1HB PHE 55 2HB PHE 55 27.921 15.209 6.788 445 2HB PHE 55 1HB PHE 55 28.343 13.486 6.627 446 HD1 PHE 55 HD1 PHE 55 30.687 16.486 6.394 447 HD2 PHE 55 HD2 PHE 55 29.368 13.066 8.717 448 HE1 PHE 55 HE1 PHE 55 32.554 16.834 7.912 449 HE2 PHE 55 HE2 PHE 55 31.233 13.421 10.228 450 HZ PHE 55 HZ PHE 55 32.836 15.270 9.855 451 H ARG 56 H ARG 56 27.210 13.126 4.618 452 HA ARG 56 HA ARG 56 28.982 10.990 3.497 453 1HB ARG 56 2HB ARG 56 26.824 10.717 5.651 454 2HB ARG 56 1HB ARG 56 27.442 9.360 4.656 455 1HG ARG 56 2HG ARG 56 29.704 10.674 5.943 456 2HG ARG 56 1HG ARG 56 28.426 10.345 7.132 457 1HD ARG 56 2HD ARG 56 28.949 8.187 7.218 458 2HD ARG 56 1HD ARG 56 28.651 8.031 5.463 459 HE ARG 56 HE ARG 56 31.216 8.437 6.846 460 1HH1 ARG 56 1HH1 ARG 56 29.565 7.958 3.715 461 2HH1 ARG 56 2HH1 ARG 56 31.080 7.546 2.927 462 1HH2 ARG 56 2HH2 ARG 56 33.021 7.906 5.749 463 2HH2 ARG 56 1HH2 ARG 56 33.018 7.512 4.049 464 H ASN 57 H ASN 57 28.052 12.469 1.919 465 HA ASN 57 HA ASN 57 25.379 12.351 1.031 466 1HB ASN 57 2HB ASN 57 26.936 13.954 0.178 467 2HB ASN 57 1HB ASN 57 28.083 12.678 -0.296 468 1HD2 ASN 57 1HD2 ASN 57 24.781 13.631 -2.621 469 2HD2 ASN 57 2HD2 ASN 57 25.017 14.219 -1.001 470 H ILE 58 H ILE 58 24.185 10.562 0.544 471 HA ILE 58 HA ILE 58 25.251 8.651 -1.312 472 HB ILE 58 HB ILE 58 26.122 8.239 1.299 473 1HG1 ILE 58 2HG1 ILE 58 25.883 5.799 -0.338 474 2HG1 ILE 58 1HG1 ILE 58 26.530 7.235 -1.219 475 1HG2 ILE 58 1HG2 ILE 58 23.818 7.567 1.934 476 2HG2 ILE 58 3HG2 ILE 58 23.892 6.208 0.832 477 3HG2 ILE 58 2HG2 ILE 58 25.047 6.301 2.180 478 1HD1 ILE 58 2HD1 ILE 58 27.592 6.632 1.568 479 2HD1 ILE 58 1HD1 ILE 58 28.166 5.588 0.221 480 3HD1 ILE 58 3HD1 ILE 58 28.480 7.328 0.223 481 H ASP 59 H ASP 59 23.782 6.832 -1.501 482 HA ASP 59 HA ASP 59 21.055 7.529 -0.438 483 1HB ASP 59 2HB ASP 59 20.213 6.143 -2.423 484 2HB ASP 59 1HB ASP 59 20.663 7.813 -2.674 485 H VAL 60 H VAL 60 20.136 6.071 0.737 486 HA VAL 60 HA VAL 60 21.386 3.345 0.841 487 HB VAL 60 HB VAL 60 19.476 4.512 2.821 488 1HG1 VAL 60 1HG1 VAL 60 21.653 2.391 2.845 489 2HG1 VAL 60 3HG1 VAL 60 20.982 3.064 4.372 490 3HG1 VAL 60 2HG1 VAL 60 19.944 2.162 3.233 491 1HG2 VAL 60 1HG2 VAL 60 22.466 5.077 2.648 492 2HG2 VAL 60 3HG2 VAL 60 21.148 6.248 2.949 493 3HG2 VAL 60 2HG2 VAL 60 21.610 5.100 4.215 494 H VAL 61 H VAL 61 20.286 1.701 0.171 495 HA VAL 61 HA VAL 61 17.321 1.882 -0.261 496 HB VAL 61 HB VAL 61 18.918 -0.140 -1.659 497 1HG1 VAL 61 2HG1 VAL 61 16.285 1.155 -1.952 498 2HG1 VAL 61 1HG1 VAL 61 17.199 1.112 -3.465 499 3HG1 VAL 61 3HG1 VAL 61 16.891 -0.373 -2.605 500 1HG2 VAL 61 1HG2 VAL 61 20.232 2.119 -1.945 501 2HG2 VAL 61 3HG2 VAL 61 19.752 1.336 -3.441 502 3HG2 VAL 61 2HG2 VAL 61 18.814 2.714 -2.840 503 H PHE 62 H PHE 62 18.235 1.459 2.204 504 HA PHE 62 HA PHE 62 18.809 -1.330 2.672 505 1HB PHE 62 2HB PHE 62 18.146 -0.790 5.060 506 2HB PHE 62 1HB PHE 62 19.600 -0.097 4.314 507 HD1 PHE 62 HD1 PHE 62 16.341 1.637 3.501 508 HD2 PHE 62 HD2 PHE 62 19.754 1.531 6.043 509 HE1 PHE 62 HE1 PHE 62 15.816 3.865 4.187 510 HE2 PHE 62 HE2 PHE 62 19.267 3.799 6.779 511 HZ PHE 62 HZ PHE 62 17.296 5.015 5.882 512 H GLU 63 H GLU 63 17.651 -2.956 2.999 513 HA GLU 63 HA GLU 63 14.781 -3.139 2.455 514 1HB GLU 63 2HB GLU 63 16.481 -4.969 1.968 515 2HB GLU 63 1HB GLU 63 16.307 -5.348 3.761 516 1HG GLU 63 2HG GLU 63 13.657 -4.854 2.662 517 2HG GLU 63 1HG GLU 63 14.403 -5.765 1.447 518 H LEU 64 H LEU 64 14.572 -1.222 4.110 519 HA LEU 64 HA LEU 64 13.505 -0.665 6.118 520 1HB LEU 64 2HB LEU 64 12.876 -3.481 5.800 521 2HB LEU 64 1HB LEU 64 13.140 -3.080 7.483 522 HG LEU 64 HG LEU 64 11.581 -1.216 5.708 523 1HD1 LEU 64 2HD1 LEU 64 10.607 -3.997 6.543 524 2HD1 LEU 64 1HD1 LEU 64 9.429 -2.703 6.432 525 3HD1 LEU 64 3HD1 LEU 64 10.411 -3.104 5.001 526 1HD2 LEU 64 1HD2 LEU 64 12.040 -0.846 8.275 527 2HD2 LEU 64 3HD2 LEU 64 10.293 -0.828 7.896 528 3HD2 LEU 64 2HD2 LEU 64 11.023 -2.272 8.578 529 H GLY 65 H GLY 65 14.984 -3.606 7.343 530 1HA GLY 65 1HA GLY 65 16.594 -1.760 9.095 531 2HA GLY 65 2HA GLY 65 16.024 -3.332 9.501 532 H VAL 66 H VAL 66 17.777 -5.089 9.118 533 HA VAL 66 HA VAL 66 19.755 -6.001 8.351 534 HB VAL 66 HB VAL 66 18.779 -4.351 6.278 535 1HG1 VAL 66 2HG1 VAL 66 21.034 -2.952 6.848 536 2HG1 VAL 66 1HG1 VAL 66 21.795 -4.372 6.051 537 3HG1 VAL 66 3HG1 VAL 66 20.607 -3.418 5.187 538 1HG2 VAL 66 1HG2 VAL 66 20.528 -6.812 6.441 539 2HG2 VAL 66 3HG2 VAL 66 19.002 -6.570 5.639 540 3HG2 VAL 66 2HG2 VAL 66 20.525 -5.894 4.953 541 H ASP 67 H ASP 67 21.733 -5.793 9.517 542 HA ASP 67 HA ASP 67 22.020 -3.694 11.272 543 1HB ASP 67 2HB ASP 67 23.536 -4.670 12.219 544 2HB ASP 67 1HB ASP 67 22.970 -6.063 11.229 545 H PHE 68 H PHE 68 24.008 -2.359 11.639 546 HA PHE 68 HA PHE 68 25.173 -1.148 9.260 547 1HB PHE 68 2HB PHE 68 23.212 0.459 10.851 548 2HB PHE 68 1HB PHE 68 24.481 1.190 9.889 549 HD1 PHE 68 HD1 PHE 68 24.645 1.060 7.520 550 HD2 PHE 68 HD2 PHE 68 21.331 -0.706 9.651 551 HE1 PHE 68 HE1 PHE 68 23.383 0.913 5.382 552 HE2 PHE 68 HE2 PHE 68 20.065 -0.860 7.570 553 HZ PHE 68 HZ PHE 68 21.140 -0.025 5.409 554 H ALA 69 H ALA 69 26.280 -2.540 11.604 555 HA ALA 69 HA ALA 69 27.145 -0.649 13.605 556 1HB ALA 69 3HB ALA 69 27.389 -3.277 13.643 557 2HB ALA 69 2HB ALA 69 28.733 -3.045 12.522 558 3HB ALA 69 1HB ALA 69 28.819 -2.348 14.180 559 H TYR 70 H TYR 70 27.453 1.133 12.353 560 HA TYR 70 HA TYR 70 30.170 1.169 11.077 561 1HB TYR 70 2HB TYR 70 29.321 1.593 9.075 562 2HB TYR 70 1HB TYR 70 27.693 1.324 9.714 563 HD1 TYR 70 HD1 TYR 70 30.287 4.167 9.549 564 HD2 TYR 70 HD2 TYR 70 26.151 3.173 9.369 565 HE1 TYR 70 HE1 TYR 70 29.770 6.486 9.060 566 HE2 TYR 70 HE2 TYR 70 25.583 5.523 8.881 567 HH TYR 70 HH TYR 70 26.432 7.679 9.103 568 H SER 71 H SER 71 27.609 2.964 12.710 569 HA SER 71 HA SER 71 28.096 4.517 14.432 570 1HB SER 71 2HB SER 71 29.808 5.880 14.562 571 2HB SER 71 1HB SER 71 30.628 4.683 13.625 572 HG SER 71 HG SER 71 30.830 6.041 12.088 573 H LEU 72 H LEU 72 27.407 6.464 14.686 574 HA LEU 72 HA LEU 72 25.404 7.228 12.744 575 1HB LEU 72 2HB LEU 72 24.727 7.112 15.094 576 2HB LEU 72 1HB LEU 72 26.210 7.953 15.558 577 HG LEU 72 HG LEU 72 23.930 9.124 15.690 578 1HD1 LEU 72 3HD1 LEU 72 26.247 10.234 15.842 579 2HD1 LEU 72 2HD1 LEU 72 25.977 10.849 14.222 580 3HD1 LEU 72 1HD1 LEU 72 24.827 11.231 15.536 581 1HD2 LEU 72 3HD2 LEU 72 24.388 9.035 12.636 582 2HD2 LEU 72 2HD2 LEU 72 22.881 8.851 13.577 583 3HD2 LEU 72 1HD2 LEU 72 23.595 10.459 13.279 584 H ALA 73 H ALA 73 26.208 8.558 11.174 585 HA ALA 73 HA ALA 73 27.840 9.827 10.053 586 1HB ALA 73 2HB ALA 73 25.600 11.005 10.440 587 2HB ALA 73 1HB ALA 73 26.473 12.039 11.585 588 3HB ALA 73 3HB ALA 73 27.025 11.966 9.913 589 H ASP 74 H ASP 74 29.519 8.784 11.603 590 HA ASP 74 HA ASP 74 31.729 9.130 12.180 591 1HB ASP 74 2HB ASP 74 31.228 11.967 12.308 592 2HB ASP 74 1HB ASP 74 32.700 11.163 12.921 593 H GLY 75 H GLY 75 31.361 7.885 14.077 594 1HA GLY 75 1HA GLY 75 31.725 9.309 16.607 595 2HA GLY 75 2HA GLY 75 30.135 8.564 16.458 596 H THR 76 H THR 76 29.933 6.331 16.740 597 HA THR 76 HA THR 76 32.498 4.777 17.042 598 HB THR 76 HB THR 76 30.294 5.375 18.960 599 HG1 THR 76 1HG THR 76 32.939 4.530 19.106 600 1HG2 THR 76 2HG2 THR 76 31.182 2.491 18.371 601 2HG2 THR 76 1HG2 THR 76 31.266 2.973 20.057 602 3HG2 THR 76 3HG2 THR 76 29.728 3.073 19.244 603 H GLU 77 H GLU 77 28.873 4.391 16.976 604 HA GLU 77 HA GLU 77 29.158 2.542 14.678 605 1HB GLU 77 2HB GLU 77 29.417 1.569 17.416 606 2HB GLU 77 1HB GLU 77 28.109 0.797 16.646 607 1HG GLU 77 2HG GLU 77 29.342 -0.258 14.982 608 2HG GLU 77 1HG GLU 77 30.646 0.971 14.994 609 H LEU 78 H LEU 78 27.038 0.856 15.097 610 HA LEU 78 HA LEU 78 24.787 1.629 16.507 611 1HB LEU 78 2HB LEU 78 25.070 2.783 13.668 612 2HB LEU 78 1HB LEU 78 23.513 1.994 13.931 613 HG LEU 78 HG LEU 78 23.940 3.835 16.051 614 1HD1 LEU 78 3HD1 LEU 78 24.281 4.748 13.141 615 2HD1 LEU 78 2HD1 LEU 78 23.495 5.822 14.284 616 3HD1 LEU 78 1HD1 LEU 78 25.188 5.284 14.589 617 1HD2 LEU 78 2HD2 LEU 78 21.770 2.798 14.963 618 2HD2 LEU 78 1HD2 LEU 78 21.672 4.498 15.450 619 3HD2 LEU 78 3HD2 LEU 78 21.885 4.110 13.736 620 H THR 79 H THR 79 24.821 -0.714 16.678 621 HA THR 79 HA THR 79 24.645 -2.199 14.065 622 HB THR 79 HB THR 79 25.744 -3.801 14.737 623 HG1 THR 79 1HG THR 79 24.287 -4.673 16.138 624 1HG2 THR 79 1HG2 THR 79 26.905 -1.648 15.826 625 2HG2 THR 79 3HG2 THR 79 26.798 -2.690 17.292 626 3HG2 THR 79 2HG2 THR 79 27.612 -3.248 15.820 627 H GLY 80 H GLY 80 22.445 -0.838 14.612 628 1HA GLY 80 1HA GLY 80 20.497 -2.763 15.807 629 2HA GLY 80 2HA GLY 80 20.216 -1.041 15.367 630 H THR 81 H THR 81 19.309 -0.713 13.458 631 HA THR 81 HA THR 81 19.921 -2.078 11.070 632 HB THR 81 HB THR 81 17.253 -2.875 10.953 633 HG1 THR 81 1HG THR 81 16.503 -2.438 12.833 634 1HG2 THR 81 2HG2 THR 81 19.415 -4.577 11.073 635 2HG2 THR 81 1HG2 THR 81 18.755 -4.802 12.732 636 3HG2 THR 81 3HG2 THR 81 17.727 -5.136 11.359 637 H TRP 82 H TRP 82 17.595 -0.425 12.778 638 HA TRP 82 HA TRP 82 16.603 1.373 12.633 639 1HB TRP 82 2HB TRP 82 17.487 1.930 9.692 640 2HB TRP 82 1HB TRP 82 16.681 3.009 10.759 641 HD1 TRP 82 HD1 TRP 82 20.031 1.100 11.765 642 HE1 TRP 82 HE1 TRP 82 21.709 2.933 12.252 643 HE3 TRP 82 HE3 TRP 82 17.267 5.175 10.490 644 HZ2 TRP 82 HZ2 TRP 82 21.867 5.835 12.128 645 HZ3 TRP 82 HZ3 TRP 82 18.107 7.397 10.701 646 HH2 TRP 82 HH2 TRP 82 20.485 7.770 11.527 647 H THR 83 H THR 83 14.513 -0.165 12.353 648 HA THR 83 HA THR 83 13.612 -0.348 9.550 649 HB THR 83 HB THR 83 11.559 -1.437 10.654 650 HG1 THR 83 1HG THR 83 12.275 -2.352 12.745 651 1HG2 THR 83 2HG2 THR 83 14.329 -2.787 10.580 652 2HG2 THR 83 1HG2 THR 83 12.881 -3.672 11.185 653 3HG2 THR 83 3HG2 THR 83 12.962 -3.097 9.517 654 H MET 84 H MET 84 10.989 0.144 9.662 655 HA MET 84 HA MET 84 10.510 2.597 11.309 656 1HB MET 84 2HB MET 84 9.287 3.466 9.244 657 2HB MET 84 1HB MET 84 10.848 3.036 8.690 658 1HG MET 84 2HG MET 84 10.203 1.239 7.468 659 2HG MET 84 1HG MET 84 9.006 0.803 8.612 660 1HE MET 84 2HE MET 84 8.213 0.239 5.875 661 2HE MET 84 1HE MET 84 7.039 0.229 7.195 662 3HE MET 84 3HE MET 84 6.603 1.012 5.627 663 H GLU 85 H GLU 85 7.651 2.338 10.127 664 HA GLU 85 HA GLU 85 6.808 -0.325 10.706 665 1HB GLU 85 2HB GLU 85 7.560 0.285 13.080 666 2HB GLU 85 1HB GLU 85 6.352 1.612 12.981 667 1HG GLU 85 2HG GLU 85 5.110 -0.888 12.178 668 2HG GLU 85 1HG GLU 85 6.075 -1.336 13.481 669 H GLY 86 H GLY 86 6.190 1.298 8.737 670 1HA GLY 86 1HA GLY 86 4.312 2.030 7.648 671 2HA GLY 86 2HA GLY 86 3.304 1.715 9.173 672 H ASN 87 H ASN 87 3.089 3.413 10.613 673 HA ASN 87 HA ASN 87 3.545 6.063 9.686 674 1HB ASN 87 2HB ASN 87 2.190 5.050 11.857 675 2HB ASN 87 1HB ASN 87 2.729 6.810 11.781 676 1HD2 ASN 87 1HD2 ASN 87 0.754 7.680 8.970 677 2HD2 ASN 87 2HD2 ASN 87 1.970 8.164 10.148 678 H LYS 88 H LYS 88 6.221 4.330 10.566 679 HA LYS 88 HA LYS 88 7.695 6.662 11.211 680 1HB LYS 88 2HB LYS 88 8.240 6.261 13.593 681 2HB LYS 88 1HB LYS 88 6.644 6.749 13.385 682 1HG LYS 88 2HG LYS 88 5.650 4.681 13.850 683 2HG LYS 88 1HG LYS 88 7.214 3.779 13.834 684 1HD LYS 88 2HD LYS 88 7.205 6.218 15.505 685 2HD LYS 88 1HD LYS 88 6.125 5.003 16.096 686 1HE LYS 88 2HE LYS 88 8.862 4.078 15.180 687 2HE LYS 88 1HE LYS 88 8.818 5.094 16.629 688 1HZ LYS 88 1HZ LYS 88 7.069 2.707 16.417 689 2HZ LYS 88 3HZ LYS 88 8.691 2.626 16.967 690 3HZ LYS 88 2HZ LYS 88 7.577 3.561 17.777 691 H LEU 89 H LEU 89 9.514 6.363 10.755 692 HA LEU 89 HA LEU 89 11.086 4.025 10.173 693 1HB LEU 89 2HB LEU 89 11.351 6.933 10.423 694 2HB LEU 89 1HB LEU 89 12.672 6.078 11.105 695 HG LEU 89 HG LEU 89 12.068 4.983 8.503 696 1HD1 LEU 89 1HD1 LEU 89 11.074 7.528 8.571 697 2HD1 LEU 89 3HD1 LEU 89 12.626 7.703 7.700 698 3HD1 LEU 89 2HD1 LEU 89 11.350 6.574 7.136 699 1HD2 LEU 89 1HD2 LEU 89 14.233 7.086 9.411 700 2HD2 LEU 89 3HD2 LEU 89 14.434 5.334 9.567 701 3HD2 LEU 89 2HD2 LEU 89 14.443 6.139 7.959 702 H VAL 90 H VAL 90 13.225 4.119 11.557 703 HA VAL 90 HA VAL 90 13.009 4.614 14.409 704 HB VAL 90 HB VAL 90 13.630 1.814 13.753 705 1HG1 VAL 90 1HG1 VAL 90 13.872 3.244 16.009 706 2HG1 VAL 90 3HG1 VAL 90 12.197 2.653 16.306 707 3HG1 VAL 90 2HG1 VAL 90 13.518 1.532 16.120 708 1HG2 VAL 90 3HG2 VAL 90 11.019 2.197 13.082 709 2HG2 VAL 90 2HG2 VAL 90 11.300 1.063 14.372 710 3HG2 VAL 90 1HG2 VAL 90 10.806 2.737 14.761 711 H GLY 91 H GLY 91 14.966 5.468 14.488 712 1HA GLY 91 1HA GLY 91 16.953 4.803 12.540 713 2HA GLY 91 2HA GLY 91 17.185 5.953 13.850 714 H LYS 92 H LYS 92 15.997 3.468 15.364 715 HA LYS 92 HA LYS 92 16.809 2.084 16.918 716 1HB LYS 92 2HB LYS 92 17.532 0.871 14.223 717 2HB LYS 92 1HB LYS 92 17.735 -0.032 15.736 718 1HG LYS 92 2HG LYS 92 15.202 1.439 15.185 719 2HG LYS 92 1HG LYS 92 15.383 -0.292 14.788 720 1HD LYS 92 2HD LYS 92 16.448 -0.311 17.272 721 2HD LYS 92 1HD LYS 92 15.273 0.981 17.396 722 1HE LYS 92 2HE LYS 92 13.748 -0.929 16.058 723 2HE LYS 92 1HE LYS 92 14.752 -1.985 17.111 724 1HZ LYS 92 3HZ LYS 92 14.089 -0.300 18.866 725 2HZ LYS 92 2HZ LYS 92 12.764 -0.010 17.879 726 3HZ LYS 92 1HZ LYS 92 13.092 -1.590 18.424 727 H PHE 93 H PHE 93 19.262 0.289 16.555 728 HA PHE 93 HA PHE 93 21.589 1.949 16.758 729 1HB PHE 93 2HB PHE 93 21.265 1.827 19.464 730 2HB PHE 93 1HB PHE 93 20.654 3.154 18.597 731 HD1 PHE 93 HD2 PHE 93 20.199 -0.356 19.581 732 HD2 PHE 93 HD1 PHE 93 17.980 3.250 18.995 733 HE1 PHE 93 HE2 PHE 93 18.255 -1.492 20.433 734 HE2 PHE 93 HE1 PHE 93 15.972 2.059 20.041 735 HZ PHE 93 HZ PHE 93 16.110 -0.295 20.660 736 H LYS 94 H LYS 94 22.684 1.439 18.760 737 HA LYS 94 HA LYS 94 23.203 0.393 20.623 738 1HB LYS 94 2HB LYS 94 22.264 -2.113 19.154 739 2HB LYS 94 1HB LYS 94 23.772 -2.182 20.360 740 1HG LYS 94 2HG LYS 94 22.684 -0.962 21.943 741 2HG LYS 94 1HG LYS 94 21.391 -0.494 21.047 742 1HD LYS 94 2HD LYS 94 20.922 -3.233 21.055 743 2HD LYS 94 1HD LYS 94 21.806 -3.096 22.562 744 1HE LYS 94 2HE LYS 94 19.556 -1.146 22.083 745 2HE LYS 94 1HE LYS 94 19.198 -2.893 22.488 746 1HZ LYS 94 2HZ LYS 94 21.140 -1.813 24.206 747 2HZ LYS 94 1HZ LYS 94 19.749 -0.878 24.243 748 3HZ LYS 94 3HZ LYS 94 19.647 -2.516 24.558 749 H ARG 95 H ARG 95 24.383 1.853 19.377 750 HA ARG 95 HA ARG 95 26.389 1.460 17.506 751 1HB ARG 95 2HB ARG 95 27.604 2.734 19.671 752 2HB ARG 95 1HB ARG 95 27.003 3.505 18.210 753 1HG ARG 95 2HG ARG 95 25.256 2.945 20.728 754 2HG ARG 95 1HG ARG 95 26.336 4.276 20.652 755 1HD ARG 95 2HD ARG 95 23.874 3.765 18.993 756 2HD ARG 95 1HD ARG 95 24.277 5.201 19.821 757 HE ARG 95 HE ARG 95 24.889 4.861 17.165 758 1HH1 ARG 95 2HH2 ARG 95 27.058 5.816 19.955 759 2HH1 ARG 95 1HH2 ARG 95 28.075 6.620 18.845 760 1HH2 ARG 95 2HH1 ARG 95 26.238 5.894 16.018 761 2HH2 ARG 95 1HH1 ARG 95 27.682 6.727 16.602 762 H VAL 96 H VAL 96 27.229 1.417 20.859 763 HA VAL 96 HA VAL 96 28.353 -1.141 21.213 764 HB VAL 96 HB VAL 96 29.690 0.502 19.161 765 1HG1 VAL 96 2HG1 VAL 96 31.356 -0.421 21.573 766 2HG1 VAL 96 1HG1 VAL 96 31.990 -0.473 19.948 767 3HG1 VAL 96 3HG1 VAL 96 31.416 1.090 20.595 768 1HG2 VAL 96 1HG2 VAL 96 29.165 -2.344 19.723 769 2HG2 VAL 96 3HG2 VAL 96 29.546 -1.577 18.180 770 3HG2 VAL 96 2HG2 VAL 96 30.864 -2.006 19.228 771 H ASP 97 H ASP 97 29.528 2.272 20.985 772 HA ASP 97 HA ASP 97 31.242 2.554 23.121 773 1HB ASP 97 2HB ASP 97 30.813 4.293 21.707 774 2HB ASP 97 1HB ASP 97 29.152 4.434 22.186 775 H ASN 98 H ASN 98 27.778 2.186 23.102 776 HA ASN 98 HA ASN 98 27.586 1.015 25.624 777 1HB ASN 98 2HB ASN 98 28.103 2.585 26.822 778 2HB ASN 98 1HB ASN 98 27.448 3.876 25.788 779 1HD2 ASN 98 1HD2 ASN 98 25.252 2.150 28.779 780 2HD2 ASN 98 2HD2 ASN 98 26.728 1.435 28.148 781 H GLY 99 H GLY 99 26.569 0.727 22.863 782 1HA GLY 99 1HA GLY 99 24.691 0.109 21.760 783 2HA GLY 99 2HA GLY 99 24.217 -0.640 23.188 784 H LYS 100 H LYS 100 24.455 2.834 22.444 785 HA LYS 100 HA LYS 100 22.423 4.017 23.771 786 1HB LYS 100 2HB LYS 100 23.963 4.527 21.559 787 2HB LYS 100 1HB LYS 100 22.371 5.234 21.338 788 1HG LYS 100 2HG LYS 100 23.822 6.817 22.465 789 2HG LYS 100 1HG LYS 100 22.765 6.145 23.816 790 1HD LYS 100 2HD LYS 100 24.555 4.513 24.338 791 2HD LYS 100 1HD LYS 100 25.372 4.818 22.919 792 1HE LYS 100 2HE LYS 100 26.746 5.876 24.475 793 2HE LYS 100 1HE LYS 100 25.876 7.207 23.692 794 1HZ LYS 100 2HZ LYS 100 24.234 6.939 25.674 795 2HZ LYS 100 1HZ LYS 100 25.434 5.983 26.324 796 3HZ LYS 100 3HZ LYS 100 25.743 7.629 25.968 797 H GLU 101 H GLU 101 20.692 5.235 22.438 798 HA GLU 101 HA GLU 101 19.373 3.457 20.524 799 1HB GLU 101 2HB GLU 101 17.857 4.089 23.015 800 2HB GLU 101 1HB GLU 101 17.067 3.710 21.523 801 1HG GLU 101 2HG GLU 101 18.434 1.500 21.381 802 2HG GLU 101 1HG GLU 101 19.033 1.894 22.896 803 H LEU 102 H LEU 102 20.486 5.238 19.608 804 HA LEU 102 HA LEU 102 19.653 7.897 19.334 805 1HB LEU 102 2HB LEU 102 20.092 5.899 17.012 806 2HB LEU 102 1HB LEU 102 20.060 7.679 16.957 807 HG LEU 102 HG LEU 102 21.953 7.231 18.956 808 1HD1 LEU 102 3HD1 LEU 102 21.439 4.637 17.664 809 2HD1 LEU 102 2HD1 LEU 102 23.087 5.127 17.354 810 3HD1 LEU 102 1HD1 LEU 102 22.469 5.057 19.047 811 1HD2 LEU 102 3HD2 LEU 102 22.184 7.518 15.926 812 2HD2 LEU 102 2HD2 LEU 102 22.847 8.574 17.224 813 3HD2 LEU 102 1HD2 LEU 102 23.645 7.059 16.874 814 H ILE 103 H ILE 103 18.501 4.994 17.537 815 HA ILE 103 HA ILE 103 16.403 4.309 17.015 816 HB ILE 103 HB ILE 103 16.123 6.097 19.355 817 1HG1 ILE 103 2HG1 ILE 103 16.378 3.839 19.606 818 2HG1 ILE 103 1HG1 ILE 103 14.791 4.124 20.128 819 1HG2 ILE 103 3HG2 ILE 103 14.477 7.222 17.954 820 2HG2 ILE 103 2HG2 ILE 103 13.583 5.671 17.793 821 3HG2 ILE 103 1HG2 ILE 103 13.819 6.483 19.387 822 1HD1 ILE 103 1HD1 ILE 103 15.176 2.961 17.365 823 2HD1 ILE 103 3HD1 ILE 103 14.809 2.039 18.855 824 3HD1 ILE 103 2HD1 ILE 103 13.699 3.247 18.363 825 H ALA 104 H ALA 104 17.751 7.120 16.007 826 HA ALA 104 HA ALA 104 16.265 9.035 15.060 827 1HB ALA 104 2HB ALA 104 18.654 8.213 14.152 828 2HB ALA 104 1HB ALA 104 17.613 7.532 12.839 829 3HB ALA 104 3HB ALA 104 17.551 9.258 13.176 830 H VAL 105 H VAL 105 14.142 8.321 15.247 831 HA VAL 105 HA VAL 105 12.981 6.715 13.003 832 HB VAL 105 HB VAL 105 12.013 5.990 14.874 833 1HG1 VAL 105 2HG1 VAL 105 12.441 8.563 16.052 834 2HG1 VAL 105 1HG1 VAL 105 10.781 8.080 16.342 835 3HG1 VAL 105 3HG1 VAL 105 12.100 7.003 16.886 836 1HG2 VAL 105 3HG2 VAL 105 10.237 6.724 13.125 837 2HG2 VAL 105 2HG2 VAL 105 9.638 6.758 14.798 838 3HG2 VAL 105 1HG2 VAL 105 10.168 8.255 13.945 839 H ARG 106 H ARG 106 12.486 8.077 11.263 840 HA ARG 106 HA ARG 106 12.192 10.975 11.273 841 1HB ARG 106 2HB ARG 106 12.323 8.760 9.454 842 2HB ARG 106 1HB ARG 106 10.879 9.758 9.052 843 1HG ARG 106 2HG ARG 106 11.991 11.168 8.041 844 2HG ARG 106 1HG ARG 106 12.566 11.698 9.553 845 1HD ARG 106 2HD ARG 106 14.102 9.477 8.125 846 2HD ARG 106 1HD ARG 106 14.383 11.214 7.644 847 HE ARG 106 HE ARG 106 14.720 11.408 10.210 848 1HH1 ARG 106 1HH1 ARG 106 15.944 8.666 8.186 849 2HH1 ARG 106 2HH1 ARG 106 17.266 8.422 9.262 850 1HH2 ARG 106 2HH2 ARG 106 16.498 10.945 11.497 851 2HH2 ARG 106 1HH2 ARG 106 17.627 9.681 11.138 852 H GLU 107 H GLU 107 10.394 8.173 11.912 853 HA GLU 107 HA GLU 107 8.272 7.715 12.418 854 1HB GLU 107 2HB GLU 107 8.784 10.491 13.302 855 2HB GLU 107 1HB GLU 107 7.006 9.951 13.209 856 1HG GLU 107 2HG GLU 107 8.163 7.876 14.578 857 2HG GLU 107 1HG GLU 107 9.061 9.117 15.227 858 H ILE 108 H ILE 108 8.121 11.078 11.428 859 HA ILE 108 HA ILE 108 7.097 12.334 9.911 860 HB ILE 108 HB ILE 108 7.892 10.432 8.422 861 1HG1 ILE 108 2HG1 ILE 108 5.494 12.219 7.631 862 2HG1 ILE 108 1HG1 ILE 108 7.124 12.746 8.005 863 1HG2 ILE 108 3HG2 ILE 108 5.134 9.343 8.941 864 2HG2 ILE 108 2HG2 ILE 108 5.232 9.888 7.235 865 3HG2 ILE 108 1HG2 ILE 108 6.368 8.725 7.883 866 1HD1 ILE 108 2HD1 ILE 108 6.922 10.404 6.088 867 2HD1 ILE 108 1HD1 ILE 108 6.283 11.969 5.465 868 3HD1 ILE 108 3HD1 ILE 108 8.002 11.761 5.957 869 H SER 109 H SER 109 5.198 13.248 9.831 870 HA SER 109 HA SER 109 2.703 11.952 10.103 871 1HB SER 109 2HB SER 109 3.339 11.294 12.413 872 2HB SER 109 1HB SER 109 4.106 12.863 12.655 873 HG SER 109 HG SER 109 1.698 12.231 13.346 874 H GLY 110 H GLY 110 1.569 13.254 9.114 875 1HA GLY 110 1HA GLY 110 0.411 15.088 8.505 876 2HA GLY 110 2HA GLY 110 0.965 15.889 10.068 877 H ASN 111 H ASN 111 2.623 14.619 7.138 878 HA ASN 111 HA ASN 111 4.262 15.733 5.832 879 1HB ASN 111 2HB ASN 111 2.883 18.258 6.500 880 2HB ASN 111 1HB ASN 111 4.179 18.008 5.358 881 1HD2 ASN 111 1HD2 ASN 111 1.445 15.635 3.789 882 2HD2 ASN 111 2HD2 ASN 111 2.655 15.144 4.968 883 H GLU 112 H GLU 112 5.488 14.753 7.684 884 HA GLU 112 HA GLU 112 7.162 16.856 9.031 885 1HB GLU 112 2HB GLU 112 5.405 15.005 10.313 886 2HB GLU 112 1HB GLU 112 6.999 14.387 10.568 887 1HG GLU 112 2HG GLU 112 6.106 16.024 12.358 888 2HG GLU 112 1HG GLU 112 7.657 16.394 11.785 889 H LEU 113 H LEU 113 8.640 15.156 10.330 890 HA LEU 113 HA LEU 113 9.592 12.759 9.515 891 1HB LEU 113 2HB LEU 113 11.435 14.902 8.280 892 2HB LEU 113 1HB LEU 113 11.893 13.301 8.805 893 HG LEU 113 HG LEU 113 10.042 13.893 6.503 894 1HD1 LEU 113 2HD1 LEU 113 12.743 12.680 7.223 895 2HD1 LEU 113 1HD1 LEU 113 11.971 12.037 5.787 896 3HD1 LEU 113 3HD1 LEU 113 12.335 13.796 5.956 897 1HD2 LEU 113 1HD2 LEU 113 10.201 11.421 8.313 898 2HD2 LEU 113 3HD2 LEU 113 8.840 12.178 7.555 899 3HD2 LEU 113 2HD2 LEU 113 9.945 11.197 6.545 900 H ILE 114 H ILE 114 9.361 12.624 11.515 901 HA ILE 114 HA ILE 114 10.364 14.589 13.411 902 HB ILE 114 HB ILE 114 9.120 12.042 14.359 903 1HG1 ILE 114 2HG1 ILE 114 7.816 13.041 12.009 904 2HG1 ILE 114 1HG1 ILE 114 7.420 11.777 13.038 905 1HG2 ILE 114 2HG2 ILE 114 9.813 14.227 15.452 906 2HG2 ILE 114 1HG2 ILE 114 8.167 14.698 15.162 907 3HG2 ILE 114 3HG2 ILE 114 8.438 13.229 16.051 908 1HD1 ILE 114 2HD1 ILE 114 6.715 14.732 13.768 909 2HD1 ILE 114 1HD1 ILE 114 5.753 13.826 12.622 910 3HD1 ILE 114 3HD1 ILE 114 5.824 13.255 14.289 911 H GLN 115 H GLN 115 12.243 12.988 11.993 912 HA GLN 115 HA GLN 115 13.912 11.292 12.426 913 1HB GLN 115 2HB GLN 115 14.189 14.112 13.610 914 2HB GLN 115 1HB GLN 115 15.568 13.093 13.338 915 1HG GLN 115 2HG GLN 115 13.735 13.254 10.930 916 2HG GLN 115 1HG GLN 115 14.213 14.862 11.486 917 1HE2 GLN 115 2HE2 GLN 115 17.845 13.717 11.165 918 2HE2 GLN 115 1HE2 GLN 115 16.954 14.317 12.501 919 H THR 116 H THR 116 12.813 12.913 15.460 920 HA THR 116 HA THR 116 13.228 12.264 17.707 921 HB THR 116 HB THR 116 11.572 10.241 16.199 922 HG1 THR 116 1HG THR 116 9.957 11.312 17.355 923 1HG2 THR 116 2HG2 THR 116 12.506 10.200 19.125 924 2HG2 THR 116 1HG2 THR 116 10.773 10.425 19.044 925 3HG2 THR 116 3HG2 THR 116 11.505 9.021 18.287 926 H TYR 117 H TYR 117 15.701 11.783 17.051 927 HA TYR 117 HA TYR 117 15.890 8.892 17.708 928 1HB TYR 117 2HB TYR 117 18.518 10.196 17.808 929 2HB TYR 117 1HB TYR 117 18.108 8.850 17.000 930 HD1 TYR 117 HD1 TYR 117 16.245 11.414 15.081 931 HD2 TYR 117 HD2 TYR 117 20.131 9.692 15.800 932 HE1 TYR 117 HE1 TYR 117 17.064 12.126 12.913 933 HE2 TYR 117 HE2 TYR 117 20.884 10.457 13.628 934 HH TYR 117 HH TYR 117 19.845 12.647 11.941 935 H THR 118 H THR 118 15.612 8.478 19.595 936 HA THR 118 HA THR 118 16.308 10.300 21.771 937 HB THR 118 HB THR 118 14.772 7.794 22.052 938 HG1 THR 118 1HG THR 118 12.994 9.379 21.890 939 1HG2 THR 118 2HG2 THR 118 15.616 9.075 24.151 940 2HG2 THR 118 1HG2 THR 118 14.828 10.573 23.574 941 3HG2 THR 118 3HG2 THR 118 13.853 9.172 24.079 942 H TYR 119 H TYR 119 18.770 9.219 21.052 943 HA TYR 119 HA TYR 119 19.526 6.670 22.103 944 1HB TYR 119 2HB TYR 119 21.641 7.389 22.112 945 2HB TYR 119 1HB TYR 119 20.940 8.171 20.716 946 HD1 TYR 119 HD1 TYR 119 19.861 10.703 21.477 947 HD2 TYR 119 HD2 TYR 119 23.034 8.621 23.456 948 HE1 TYR 119 HE1 TYR 119 20.635 12.811 22.515 949 HE2 TYR 119 HE2 TYR 119 23.809 10.691 24.504 950 HH TYR 119 HH TYR 119 21.917 13.453 24.593 951 H GLU 120 H GLU 120 18.248 6.201 23.702 952 HA GLU 120 HA GLU 120 18.058 5.813 26.054 953 1HB GLU 120 2HB GLU 120 20.843 6.734 25.409 954 2HB GLU 120 1HB GLU 120 20.400 6.223 27.045 955 1HG GLU 120 2HG GLU 120 19.130 4.279 25.682 956 2HG GLU 120 1HG GLU 120 20.035 4.875 24.333 957 H GLY 121 H GLY 121 16.665 8.042 25.352 958 1HA GLY 121 1HA GLY 121 15.462 9.208 26.961 959 2HA GLY 121 2HA GLY 121 16.831 9.498 27.901 960 H VAL 122 H VAL 122 16.960 10.358 24.437 961 HA VAL 122 HA VAL 122 16.876 13.196 25.362 962 HB VAL 122 HB VAL 122 18.729 11.718 23.513 963 1HG1 VAL 122 3HG1 VAL 122 17.732 14.537 23.278 964 2HG1 VAL 122 2HG1 VAL 122 19.478 14.470 23.547 965 3HG1 VAL 122 1HG1 VAL 122 18.796 13.666 22.131 966 1HG2 VAL 122 2HG2 VAL 122 18.866 12.796 26.219 967 2HG2 VAL 122 1HG2 VAL 122 20.092 11.922 25.337 968 3HG2 VAL 122 3HG2 VAL 122 19.989 13.699 25.215 969 H GLU 123 H GLU 123 17.263 11.987 22.118 970 HA GLU 123 HA GLU 123 15.679 11.689 20.282 971 1HB GLU 123 2HB GLU 123 13.685 12.315 22.043 972 2HB GLU 123 1HB GLU 123 14.047 13.947 21.697 973 1HG GLU 123 2HG GLU 123 13.865 13.285 19.167 974 2HG GLU 123 1HG GLU 123 13.425 11.774 19.620 975 H ALA 124 H ALA 124 16.207 12.647 18.616 976 HA ALA 124 HA ALA 124 16.578 15.570 18.765 977 1HB ALA 124 3HB ALA 124 18.849 14.324 19.023 978 2HB ALA 124 2HB ALA 124 18.628 13.818 17.322 979 3HB ALA 124 1HB ALA 124 18.841 15.528 17.661 980 H LYS 125 H LYS 125 15.569 16.529 17.324 981 HA LYS 125 HA LYS 125 15.168 15.490 14.656 982 1HB LYS 125 2HB LYS 125 12.582 16.161 15.715 983 2HB LYS 125 1HB LYS 125 13.008 14.734 14.848 984 1HG LYS 125 2HG LYS 125 12.418 13.871 17.145 985 2HG LYS 125 1HG LYS 125 14.097 13.910 17.221 986 1HD LYS 125 2HD LYS 125 12.935 14.984 19.102 987 2HD LYS 125 1HD LYS 125 14.083 16.000 18.386 988 1HE LYS 125 2HE LYS 125 12.192 17.311 17.183 989 2HE LYS 125 1HE LYS 125 11.018 16.221 18.000 990 1HZ LYS 125 1HZ LYS 125 12.278 16.984 20.094 991 2HZ LYS 125 3HZ LYS 125 12.600 18.329 19.177 992 3HZ LYS 125 2HZ LYS 125 10.989 17.863 19.430 993 H ARG 126 H ARG 126 13.088 17.129 14.041 994 HA ARG 126 HA ARG 126 12.343 19.414 15.042 995 1HB ARG 126 2HB ARG 126 14.926 20.150 13.978 996 2HB ARG 126 1HB ARG 126 13.553 21.288 13.978 997 1HG ARG 126 2HG ARG 126 13.773 19.923 16.569 998 2HG ARG 126 1HG ARG 126 15.155 21.073 16.071 999 1HD ARG 126 2HD ARG 126 12.608 22.186 15.356 1000 2HD ARG 126 1HD ARG 126 12.638 21.674 17.066 1001 HE ARG 126 HE ARG 126 15.130 22.943 16.385 1002 1HH1 ARG 126 1HH1 ARG 126 11.733 23.887 17.252 1003 2HH1 ARG 126 2HH1 ARG 126 12.365 25.391 17.831 1004 1HH2 ARG 126 2HH2 ARG 126 15.691 24.913 17.191 1005 2HH2 ARG 126 1HH2 ARG 126 14.480 25.982 17.805 1006 H ILE 127 H ILE 127 13.761 17.859 12.335 1007 HA ILE 127 HA ILE 127 12.426 16.939 10.601 1008 HB ILE 127 HB ILE 127 10.982 19.581 10.890 1009 1HG1 ILE 127 2HG1 ILE 127 9.068 18.118 11.420 1010 2HG1 ILE 127 1HG1 ILE 127 9.981 16.718 10.840 1011 1HG2 ILE 127 2HG2 ILE 127 10.501 17.539 8.778 1012 2HG2 ILE 127 1HG2 ILE 127 9.344 18.832 9.095 1013 3HG2 ILE 127 3HG2 ILE 127 10.983 19.264 8.580 1014 1HD1 ILE 127 2HD1 ILE 127 11.484 16.743 12.768 1015 2HD1 ILE 127 1HD1 ILE 127 10.475 17.987 13.596 1016 3HD1 ILE 127 3HD1 ILE 127 9.848 16.409 13.249 1017 H PHE 128 H PHE 128 12.238 16.890 8.658 1018 HA PHE 128 HA PHE 128 14.010 17.360 6.866 1019 1HB PHE 128 2HB PHE 128 12.146 16.823 5.351 1020 2HB PHE 128 1HB PHE 128 11.698 16.112 6.836 1021 HD1 PHE 128 HD1 PHE 128 11.146 19.535 5.255 1022 HD2 PHE 128 HD2 PHE 128 9.529 16.285 7.355 1023 HE1 PHE 128 HE1 PHE 128 8.954 20.633 5.108 1024 HE2 PHE 128 HE2 PHE 128 7.267 17.361 7.215 1025 HZ PHE 128 HZ PHE 128 7.007 19.559 6.087 1026 H LYS 129 H LYS 129 13.882 18.385 4.923 1027 HA LYS 129 HA LYS 129 12.661 20.990 4.649 1028 1HB LYS 129 2HB LYS 129 15.265 20.801 3.212 1029 2HB LYS 129 1HB LYS 129 14.150 22.142 3.591 1030 1HG LYS 129 2HG LYS 129 14.965 22.395 5.695 1031 2HG LYS 129 1HG LYS 129 15.643 20.784 5.873 1032 1HD LYS 129 2HD LYS 129 16.573 22.799 3.862 1033 2HD LYS 129 1HD LYS 129 17.273 22.748 5.483 1034 1HE LYS 129 2HE LYS 129 18.274 20.478 4.931 1035 2HE LYS 129 1HE LYS 129 17.298 20.472 3.449 1036 1HZ LYS 129 1HZ LYS 129 19.264 22.600 3.851 1037 2HZ LYS 129 3HZ LYS 129 19.664 21.141 3.159 1038 3HZ LYS 129 2HZ LYS 129 18.488 22.104 2.450 1039 H LYS 130 H LYS 130 12.033 18.262 4.144 1040 HA LYS 130 HA LYS 130 11.843 17.006 2.104 1041 1HB LYS 130 2HB LYS 130 9.988 16.687 2.735 1042 2HB LYS 130 1HB LYS 130 9.556 18.427 3.074 1043 1HG LYS 130 2HG LYS 130 9.758 17.266 0.326 1044 2HG LYS 130 1HG LYS 130 8.456 16.646 1.227 1045 1HD LYS 130 2HD LYS 130 8.319 19.549 1.551 1046 2HD LYS 130 1HD LYS 130 8.564 19.214 -0.177 1047 1HE LYS 130 2HE LYS 130 6.476 17.639 -0.011 1048 2HE LYS 130 1HE LYS 130 6.356 18.038 1.692 1049 1HZ LYS 130 1HZ LYS 130 6.260 20.141 -0.357 1050 2HZ LYS 130 3HZ LYS 130 4.888 19.340 0.223 1051 3HZ LYS 130 2HZ LYS 130 5.869 20.222 1.271 1052 H GLU 131 H GLU 131 11.603 16.774 0.164 1053 HA GLU 131 HA GLU 131 11.524 19.178 -1.515 1054 1HB GLU 131 2HB GLU 131 13.767 18.366 -0.673 1055 2HB GLU 131 1HB GLU 131 13.670 17.180 -1.493 1056 1HG GLU 131 2HG GLU 131 15.150 18.504 -2.795 1057 2HG GLU 131 1HG GLU 131 13.678 18.673 -3.753 No H/Q in entry = 1057 Start of MODEL 13 1 1H ALA 1 2H ALA 1 3.138 11.150 1.595 2 2H ALA 1 1H ALA 1 2.803 9.730 2.356 3 3H ALA 1 3H ALA 1 1.786 11.031 2.577 4 HA ALA 1 HA ALA 1 3.523 12.238 3.704 5 1HB ALA 1 3HB ALA 1 2.034 10.051 4.534 6 2HB ALA 1 2HB ALA 1 3.630 9.414 4.873 7 3HB ALA 1 1HB ALA 1 3.088 10.946 5.671 8 H PHE 2 H PHE 2 5.432 9.808 4.816 9 HA PHE 2 HA PHE 2 7.899 10.276 4.146 10 1HB PHE 2 2HB PHE 2 6.672 7.574 4.007 11 2HB PHE 2 1HB PHE 2 8.382 7.945 3.519 12 HD1 PHE 2 HD1 PHE 2 9.711 9.397 5.070 13 HD2 PHE 2 HD2 PHE 2 6.337 7.142 6.366 14 HE1 PHE 2 HE1 PHE 2 10.573 9.517 7.356 15 HE2 PHE 2 HE2 PHE 2 7.130 7.214 8.661 16 HZ PHE 2 HZ PHE 2 9.255 8.395 9.242 17 H ASP 3 H ASP 3 7.088 7.841 1.704 18 HA ASP 3 HA ASP 3 8.718 7.844 -0.104 19 1HB ASP 3 2HB ASP 3 6.778 8.575 -1.937 20 2HB ASP 3 1HB ASP 3 7.172 6.918 -1.276 21 H GLY 4 H GLY 4 10.310 8.947 -0.899 22 1HA GLY 4 1HA GLY 4 10.479 10.930 -2.689 23 2HA GLY 4 2HA GLY 4 9.716 11.775 -1.453 24 H THR 5 H THR 5 11.111 13.168 -1.392 25 HA THR 5 HA THR 5 13.850 13.055 -0.163 26 HB THR 5 HB THR 5 13.878 15.213 -0.705 27 HG1 THR 5 1HG THR 5 11.367 14.901 -2.007 28 1HG2 THR 5 3HG2 THR 5 13.708 13.081 -2.689 29 2HG2 THR 5 2HG2 THR 5 12.686 14.399 -3.356 30 3HG2 THR 5 1HG2 THR 5 14.413 14.700 -3.032 31 H TRP 6 H TRP 6 14.309 14.331 1.320 32 HA TRP 6 HA TRP 6 12.508 15.389 3.370 33 1HB TRP 6 2HB TRP 6 13.750 12.556 3.180 34 2HB TRP 6 1HB TRP 6 13.537 13.416 4.680 35 HD1 TRP 6 HD1 TRP 6 11.986 10.687 3.270 36 HE1 TRP 6 HE1 TRP 6 9.488 10.493 3.201 37 HE3 TRP 6 HE3 TRP 6 10.796 15.620 4.178 38 HZ2 TRP 6 HZ2 TRP 6 7.226 12.250 3.491 39 HZ3 TRP 6 HZ3 TRP 6 8.499 16.250 4.273 40 HH2 TRP 6 HH2 TRP 6 6.699 14.548 3.926 41 H LYS 7 H LYS 7 13.931 15.890 5.239 42 HA LYS 7 HA LYS 7 16.879 15.570 4.661 43 1HB LYS 7 2HB LYS 7 15.855 18.239 5.031 44 2HB LYS 7 1HB LYS 7 17.340 17.779 4.367 45 1HG LYS 7 2HG LYS 7 16.173 16.617 2.476 46 2HG LYS 7 1HG LYS 7 14.656 17.052 2.859 47 1HD LYS 7 2HD LYS 7 15.769 18.144 0.944 48 2HD LYS 7 1HD LYS 7 15.289 19.433 1.987 49 1HE LYS 7 2HE LYS 7 17.563 19.730 1.054 50 2HE LYS 7 1HE LYS 7 17.817 19.479 2.785 51 1HZ LYS 7 2HZ LYS 7 17.852 17.020 1.731 52 2HZ LYS 7 1HZ LYS 7 18.791 17.918 0.663 53 3HZ LYS 7 3HZ LYS 7 19.149 17.862 2.333 54 H VAL 8 H VAL 8 17.188 17.988 6.366 55 HA VAL 8 HA VAL 8 15.811 17.417 8.830 56 HB VAL 8 HB VAL 8 18.659 16.712 8.711 57 1HG1 VAL 8 1HG1 VAL 8 17.301 18.283 10.747 58 2HG1 VAL 8 3HG1 VAL 8 17.657 16.708 11.476 59 3HG1 VAL 8 2HG1 VAL 8 18.950 17.755 10.852 60 1HG2 VAL 8 3HG2 VAL 8 16.142 15.327 9.646 61 2HG2 VAL 8 2HG2 VAL 8 17.374 14.743 8.547 62 3HG2 VAL 8 1HG2 VAL 8 17.731 14.878 10.308 63 H ASP 9 H ASP 9 15.156 19.331 7.732 64 HA ASP 9 HA ASP 9 16.220 21.787 7.254 65 1HB ASP 9 2HB ASP 9 13.843 20.709 7.688 66 2HB ASP 9 1HB ASP 9 14.071 21.336 9.255 67 H ARG 10 H ARG 10 15.484 20.256 10.355 68 HA ARG 10 HA ARG 10 17.396 22.181 11.633 69 1HB ARG 10 2HB ARG 10 15.363 22.057 13.389 70 2HB ARG 10 1HB ARG 10 15.682 23.413 12.336 71 1HG ARG 10 2HG ARG 10 13.939 21.258 11.150 72 2HG ARG 10 1HG ARG 10 13.205 22.152 12.425 73 1HD ARG 10 2HD ARG 10 13.632 24.304 11.439 74 2HD ARG 10 1HD ARG 10 14.342 23.577 9.950 75 HE ARG 10 HE ARG 10 11.989 22.346 9.995 76 1HH1 ARG 10 2HH2 ARG 10 12.572 25.797 11.007 77 2HH1 ARG 10 1HH2 ARG 10 10.972 26.264 10.635 78 1HH2 ARG 10 1HH1 ARG 10 9.851 23.151 9.530 79 2HH2 ARG 10 2HH1 ARG 10 9.472 24.795 9.815 80 H ASN 11 H ASN 11 18.122 21.351 13.736 81 HA ASN 11 HA ASN 11 17.181 18.569 14.263 82 1HB ASN 11 2HB ASN 11 19.674 19.141 13.008 83 2HB ASN 11 1HB ASN 11 20.072 18.870 14.700 84 1HD2 ASN 11 1HD2 ASN 11 20.000 15.624 12.591 85 2HD2 ASN 11 2HD2 ASN 11 20.562 17.189 12.161 86 H GLU 12 H GLU 12 16.216 19.082 15.973 87 HA GLU 12 HA GLU 12 17.512 20.873 18.020 88 1HB GLU 12 2HB GLU 12 14.787 19.762 17.784 89 2HB GLU 12 1HB GLU 12 15.485 19.888 19.412 90 1HG GLU 12 2HG GLU 12 15.375 22.185 17.378 91 2HG GLU 12 1HG GLU 12 14.144 21.942 18.600 92 H ASN 13 H ASN 13 18.200 20.075 20.033 93 HA ASN 13 HA ASN 13 19.197 18.648 21.512 94 1HB ASN 13 2HB ASN 13 16.957 17.020 20.444 95 2HB ASN 13 1HB ASN 13 18.114 16.225 21.512 96 1HD2 ASN 13 2HD2 ASN 13 17.305 18.710 24.257 97 2HD2 ASN 13 1HD2 ASN 13 18.750 18.215 23.483 98 H TYR 14 H TYR 14 19.776 18.390 18.212 99 HA TYR 14 HA TYR 14 20.992 15.786 17.968 100 1HB TYR 14 2HB TYR 14 19.666 17.070 16.403 101 2HB TYR 14 1HB TYR 14 21.066 18.042 16.160 102 HD1 TYR 14 HD1 TYR 14 20.073 14.434 16.452 103 HD2 TYR 14 HD2 TYR 14 22.721 17.274 14.545 104 HE1 TYR 14 HE1 TYR 14 21.045 12.620 14.980 105 HE2 TYR 14 HE2 TYR 14 23.629 15.449 13.133 106 HH TYR 14 HH TYR 14 23.884 13.073 13.163 107 H GLU 15 H GLU 15 22.298 19.012 18.934 108 HA GLU 15 HA GLU 15 24.956 18.405 17.939 109 1HB GLU 15 2HB GLU 15 24.661 20.637 18.050 110 2HB GLU 15 1HB GLU 15 23.971 20.595 19.691 111 1HG GLU 15 2HG GLU 15 26.188 21.428 20.028 112 2HG GLU 15 1HG GLU 15 26.335 19.745 20.481 113 H LYS 16 H LYS 16 23.368 18.292 21.162 114 HA LYS 16 HA LYS 16 25.703 17.167 22.605 115 1HB LYS 16 2HB LYS 16 23.710 18.643 23.442 116 2HB LYS 16 1HB LYS 16 22.952 17.075 23.655 117 1HG LYS 16 2HG LYS 16 24.200 16.622 25.487 118 2HG LYS 16 1HG LYS 16 25.755 17.115 24.714 119 1HD LYS 16 2HD LYS 16 25.551 19.322 25.261 120 2HD LYS 16 1HD LYS 16 23.880 19.356 25.216 121 1HE LYS 16 2HE LYS 16 24.593 19.764 27.493 122 2HE LYS 16 1HE LYS 16 23.823 18.133 27.493 123 1HZ LYS 16 2HZ LYS 16 26.037 17.222 27.280 124 2HZ LYS 16 1HZ LYS 16 26.736 18.764 27.515 125 3HZ LYS 16 3HZ LYS 16 25.798 18.022 28.717 126 H PHE 17 H PHE 17 22.871 15.998 20.888 127 HA PHE 17 HA PHE 17 22.449 13.414 21.824 128 1HB PHE 17 2HB PHE 17 20.827 14.125 20.495 129 2HB PHE 17 1HB PHE 17 21.960 15.033 19.441 130 HD1 PHE 17 HD1 PHE 17 23.269 13.994 17.693 131 HD2 PHE 17 HD2 PHE 17 20.363 11.737 19.879 132 HE1 PHE 17 HE1 PHE 17 23.341 12.223 16.045 133 HE2 PHE 17 HE2 PHE 17 20.468 9.906 18.136 134 HZ PHE 17 HZ PHE 17 21.998 10.211 16.202 135 H MET 18 H MET 18 24.732 14.634 19.451 136 HA MET 18 HA MET 18 25.730 12.058 18.486 137 1HB MET 18 2HB MET 18 26.240 14.999 18.227 138 2HB MET 18 1HB MET 18 27.609 13.887 17.841 139 1HG MET 18 2HG MET 18 26.017 12.647 16.294 140 2HG MET 18 1HG MET 18 24.830 13.919 16.604 141 1HE MET 18 3HE MET 18 27.727 12.703 14.936 142 2HE MET 18 2HE MET 18 26.851 13.176 13.448 143 3HE MET 18 1HE MET 18 28.400 13.996 13.907 144 H GLU 19 H GLU 19 26.902 14.826 20.278 145 HA GLU 19 HA GLU 19 29.384 14.253 21.018 146 1HB GLU 19 2HB GLU 19 27.310 15.960 21.874 147 2HB GLU 19 1HB GLU 19 27.718 15.115 23.336 148 1HG GLU 19 2HG GLU 19 29.226 16.756 23.595 149 2HG GLU 19 1HG GLU 19 30.220 15.548 22.772 150 H LYS 20 H LYS 20 26.517 13.337 22.916 151 HA LYS 20 HA LYS 20 27.931 12.216 25.073 152 1HB LYS 20 2HB LYS 20 25.092 11.762 24.379 153 2HB LYS 20 1HB LYS 20 25.948 11.444 25.928 154 1HG LYS 20 2HG LYS 20 26.422 13.726 26.348 155 2HG LYS 20 1HG LYS 20 26.100 14.176 24.647 156 1HD LYS 20 2HD LYS 20 23.872 14.375 25.036 157 2HD LYS 20 1HD LYS 20 23.833 12.777 25.779 158 1HE LYS 20 2HE LYS 20 25.136 14.384 27.710 159 2HE LYS 20 1HE LYS 20 23.689 15.308 27.106 160 1HZ LYS 20 1HZ LYS 20 23.301 12.465 27.622 161 2HZ LYS 20 3HZ LYS 20 23.635 13.461 28.957 162 3HZ LYS 20 2HZ LYS 20 22.339 13.835 27.964 163 H MET 21 H MET 21 26.988 10.581 21.970 164 HA MET 21 HA MET 21 27.421 7.968 23.251 165 1HB MET 21 2HB MET 21 27.127 7.022 21.006 166 2HB MET 21 1HB MET 21 25.734 7.661 21.996 167 1HG MET 21 2HG MET 21 25.534 9.609 20.748 168 2HG MET 21 1HG MET 21 26.964 9.242 19.723 169 1HE MET 21 3HE MET 21 23.797 8.779 21.117 170 2HE MET 21 2HE MET 21 22.795 8.904 19.618 171 3HE MET 21 1HE MET 21 23.079 7.302 20.430 172 H GLY 22 H GLY 22 29.615 10.222 22.422 173 1HA GLY 22 1HA GLY 22 31.962 9.329 22.659 174 2HA GLY 22 2HA GLY 22 31.550 8.135 21.439 175 H ILE 23 H ILE 23 30.010 11.059 20.713 176 HA ILE 23 HA ILE 23 31.829 11.661 18.481 177 HB ILE 23 HB ILE 23 29.348 12.831 19.615 178 1HG1 ILE 23 2HG1 ILE 23 28.281 12.039 17.603 179 2HG1 ILE 23 1HG1 ILE 23 29.854 11.809 16.798 180 1HG2 ILE 23 3HG2 ILE 23 31.195 14.495 18.238 181 2HG2 ILE 23 2HG2 ILE 23 30.228 13.867 16.934 182 3HG2 ILE 23 1HG2 ILE 23 29.433 14.779 18.224 183 1HD1 ILE 23 1HD1 ILE 23 29.002 10.233 19.271 184 2HD1 ILE 23 3HD1 ILE 23 28.694 9.665 17.644 185 3HD1 ILE 23 2HD1 ILE 23 30.386 9.911 18.170 186 H ASN 24 H ASN 24 33.885 12.389 19.086 187 HA ASN 24 HA ASN 24 34.437 13.909 21.359 188 1HB ASN 24 2HB ASN 24 36.328 14.289 19.266 189 2HB ASN 24 1HB ASN 24 36.435 14.076 21.003 190 1HD2 ASN 24 2HD2 ASN 24 37.359 10.893 18.966 191 2HD2 ASN 24 1HD2 ASN 24 37.659 12.535 18.551 192 H VAL 25 H VAL 25 35.703 16.007 21.122 193 HA VAL 25 HA VAL 25 33.852 18.078 20.441 194 HB VAL 25 HB VAL 25 34.960 19.687 21.230 195 1HG1 VAL 25 2HG1 VAL 25 34.527 17.122 22.775 196 2HG1 VAL 25 1HG1 VAL 25 34.919 18.662 23.610 197 3HG1 VAL 25 3HG1 VAL 25 33.449 18.528 22.644 198 1HG2 VAL 25 2HG2 VAL 25 37.184 17.620 21.267 199 2HG2 VAL 25 1HG2 VAL 25 37.380 19.376 21.415 200 3HG2 VAL 25 3HG2 VAL 25 36.970 18.424 22.864 201 H VAL 26 H VAL 26 36.408 16.762 18.503 202 HA VAL 26 HA VAL 26 37.324 18.957 16.992 203 HB VAL 26 HB VAL 26 37.867 17.544 15.243 204 1HG1 VAL 26 2HG1 VAL 26 39.279 17.847 17.252 205 2HG1 VAL 26 1HG1 VAL 26 38.552 16.400 17.973 206 3HG1 VAL 26 3HG1 VAL 26 39.537 16.281 16.496 207 1HG2 VAL 26 3HG2 VAL 26 36.083 15.714 16.961 208 2HG2 VAL 26 2HG2 VAL 26 36.121 15.818 15.195 209 3HG2 VAL 26 1HG2 VAL 26 37.445 14.969 16.067 210 H LYS 27 H LYS 27 34.288 17.355 17.114 211 HA LYS 27 HA LYS 27 33.206 18.187 14.528 212 1HB LYS 27 2HB LYS 27 31.795 17.151 16.930 213 2HB LYS 27 1HB LYS 27 31.165 17.392 15.277 214 1HG LYS 27 2HG LYS 27 33.353 15.603 14.902 215 2HG LYS 27 1HG LYS 27 32.636 15.051 16.353 216 1HD LYS 27 2HD LYS 27 31.639 13.825 14.582 217 2HD LYS 27 1HD LYS 27 30.412 14.879 15.181 218 1HE LYS 27 2HE LYS 27 30.449 14.930 12.604 219 2HE LYS 27 1HE LYS 27 30.767 16.476 13.291 220 1HZ LYS 27 1HZ LYS 27 33.138 14.871 12.721 221 2HZ LYS 27 3HZ LYS 27 32.192 15.396 11.424 222 3HZ LYS 27 2HZ LYS 27 32.864 16.525 12.498 223 H ARG 28 H ARG 28 33.636 19.503 17.678 224 HA ARG 28 HA ARG 28 31.500 21.214 18.033 225 1HB ARG 28 2HB ARG 28 33.090 20.964 19.781 226 2HB ARG 28 1HB ARG 28 34.371 21.701 18.709 227 1HG ARG 28 2HG ARG 28 33.580 23.244 20.415 228 2HG ARG 28 1HG ARG 28 33.327 23.844 18.804 229 1HD ARG 28 2HD ARG 28 31.167 24.201 19.429 230 2HD ARG 28 1HD ARG 28 30.928 22.529 19.305 231 HE ARG 28 HE ARG 28 30.538 22.425 21.553 232 1HH1 ARG 28 1HH1 ARG 28 32.617 25.351 20.931 233 2HH1 ARG 28 2HH1 ARG 28 32.488 25.810 22.604 234 1HH2 ARG 28 1HH2 ARG 28 30.546 23.254 23.740 235 2HH2 ARG 28 2HH2 ARG 28 31.401 24.720 24.089 236 H LYS 29 H LYS 29 34.109 21.237 15.828 237 HA LYS 29 HA LYS 29 34.375 24.031 15.113 238 1HB LYS 29 2HB LYS 29 35.259 21.462 13.941 239 2HB LYS 29 1HB LYS 29 35.447 23.009 13.070 240 1HG LYS 29 2HG LYS 29 37.489 22.810 14.304 241 2HG LYS 29 1HG LYS 29 36.478 24.022 15.125 242 1HD LYS 29 2HD LYS 29 35.764 21.954 16.630 243 2HD LYS 29 1HD LYS 29 37.285 21.293 16.111 244 1HE LYS 29 2HE LYS 29 36.739 23.903 17.640 245 2HE LYS 29 1HE LYS 29 37.849 22.576 18.052 246 1HZ LYS 29 3HZ LYS 29 39.108 23.235 16.035 247 2HZ LYS 29 2HZ LYS 29 38.205 24.661 16.011 248 3HZ LYS 29 1HZ LYS 29 39.133 24.286 17.359 249 H LEU 30 H LEU 30 32.420 21.232 14.004 250 HA LEU 30 HA LEU 30 31.293 22.830 11.782 251 1HB LEU 30 2HB LEU 30 31.090 19.937 12.678 252 2HB LEU 30 1HB LEU 30 29.926 20.608 11.585 253 HG LEU 30 HG LEU 30 31.569 19.527 10.251 254 1HD1 LEU 30 3HD1 LEU 30 30.946 22.148 9.776 255 2HD1 LEU 30 2HD1 LEU 30 32.672 22.359 10.086 256 3HD1 LEU 30 1HD1 LEU 30 32.144 21.299 8.775 257 1HD2 LEU 30 2HD2 LEU 30 33.556 20.635 12.231 258 2HD2 LEU 30 1HD2 LEU 30 33.501 19.090 11.411 259 3HD2 LEU 30 3HD2 LEU 30 34.122 20.516 10.546 260 H GLY 31 H GLY 31 30.285 20.933 14.574 261 1HA GLY 31 1HA GLY 31 28.538 20.942 16.035 262 2HA GLY 31 2HA GLY 31 28.546 22.707 15.842 263 H ALA 32 H ALA 32 27.273 19.718 14.529 264 HA ALA 32 HA ALA 32 25.307 19.199 13.509 265 1HB ALA 32 3HB ALA 32 24.391 20.015 15.569 266 2HB ALA 32 2HB ALA 32 24.373 21.705 14.940 267 3HB ALA 32 1HB ALA 32 23.326 20.462 14.200 268 H HIS 33 H HIS 33 27.129 20.926 11.780 269 HA HIS 33 HA HIS 33 25.176 22.746 10.483 270 1HB HIS 33 2HB HIS 33 28.102 22.507 10.516 271 2HB HIS 33 1HB HIS 33 27.523 22.131 8.847 272 HD1 HIS 33 HD1 HIS 33 27.399 24.030 7.331 273 HD2 HIS 33 HD2 HIS 33 26.814 25.055 11.445 274 HE1 HIS 33 HE1 HIS 33 27.096 26.519 7.412 275 HE2 HIS 33 HE2 HIS 33 26.747 27.136 9.895 276 H ASP 34 H ASP 34 25.639 19.584 10.614 277 HA ASP 34 HA ASP 34 25.632 18.615 7.889 278 1HB ASP 34 2HB ASP 34 24.434 16.660 9.390 279 2HB ASP 34 1HB ASP 34 26.005 16.780 8.607 280 H ASN 35 H ASN 35 24.165 19.570 6.633 281 HA ASN 35 HA ASN 35 21.219 19.063 7.086 282 1HB ASN 35 2HB ASN 35 22.621 21.373 6.526 283 2HB ASN 35 1HB ASN 35 22.401 20.773 4.866 284 1HD2 ASN 35 1HD2 ASN 35 19.286 22.582 6.688 285 2HD2 ASN 35 2HD2 ASN 35 20.854 22.403 7.441 286 H LEU 36 H LEU 36 20.721 17.032 6.161 287 HA LEU 36 HA LEU 36 21.862 16.542 3.432 288 1HB LEU 36 2HB LEU 36 22.309 14.342 4.036 289 2HB LEU 36 1HB LEU 36 22.993 15.292 5.280 290 HG LEU 36 HG LEU 36 20.855 15.073 6.629 291 1HD1 LEU 36 2HD1 LEU 36 20.154 13.279 4.399 292 2HD1 LEU 36 1HD1 LEU 36 20.148 12.408 5.948 293 3HD1 LEU 36 3HD1 LEU 36 19.130 13.870 5.737 294 1HD2 LEU 36 2HD2 LEU 36 23.131 13.930 7.049 295 2HD2 LEU 36 1HD2 LEU 36 21.766 12.914 7.556 296 3HD2 LEU 36 3HD2 LEU 36 22.617 12.536 6.065 297 H LYS 37 H LYS 37 20.482 15.018 2.211 298 HA LYS 37 HA LYS 37 17.662 15.448 2.941 299 1HB LYS 37 2HB LYS 37 18.718 15.640 0.491 300 2HB LYS 37 1HB LYS 37 18.548 13.941 0.456 301 1HG LYS 37 2HG LYS 37 16.090 14.239 0.852 302 2HG LYS 37 1HG LYS 37 16.382 16.028 0.674 303 1HD LYS 37 2HD LYS 37 16.960 13.671 -1.167 304 2HD LYS 37 1HD LYS 37 15.812 14.995 -1.482 305 1HE LYS 37 2HE LYS 37 18.891 14.982 -1.419 306 2HE LYS 37 1HE LYS 37 17.874 15.240 -2.845 307 1HZ LYS 37 1HZ LYS 37 17.531 17.283 -0.817 308 2HZ LYS 37 3HZ LYS 37 19.107 17.148 -1.461 309 3HZ LYS 37 2HZ LYS 37 17.823 17.347 -2.491 310 H LEU 38 H LEU 38 17.297 13.732 4.739 311 HA LEU 38 HA LEU 38 18.424 11.219 4.819 312 1HB LEU 38 2HB LEU 38 15.821 12.340 5.791 313 2HB LEU 38 1HB LEU 38 15.497 10.912 4.978 314 HG LEU 38 HG LEU 38 15.682 10.727 7.356 315 1HD1 LEU 38 1HD1 LEU 38 17.533 9.124 5.539 316 2HD1 LEU 38 3HD1 LEU 38 17.438 8.723 7.290 317 3HD1 LEU 38 2HD1 LEU 38 15.983 8.654 6.320 318 1HD2 LEU 38 3HD2 LEU 38 18.109 12.267 6.904 319 2HD2 LEU 38 2HD2 LEU 38 17.717 11.606 8.478 320 3HD2 LEU 38 1HD2 LEU 38 18.724 10.682 7.306 321 H THR 39 H THR 39 15.641 12.590 3.219 322 HA THR 39 HA THR 39 14.444 12.243 1.452 323 HB THR 39 HB THR 39 16.534 10.336 0.267 324 HG1 THR 39 1HG THR 39 17.663 12.246 -0.208 325 1HG2 THR 39 3HG2 THR 39 14.434 11.224 -1.190 326 2HG2 THR 39 2HG2 THR 39 15.333 12.764 -1.259 327 3HG2 THR 39 1HG2 THR 39 16.070 11.316 -1.856 328 H ILE 40 H ILE 40 12.667 10.564 1.412 329 HA ILE 40 HA ILE 40 13.621 7.737 2.010 330 HB ILE 40 HB ILE 40 11.115 8.977 3.117 331 1HG1 ILE 40 2HG1 ILE 40 13.791 8.082 4.443 332 2HG1 ILE 40 1HG1 ILE 40 13.415 9.681 4.066 333 1HG2 ILE 40 3HG2 ILE 40 10.757 6.631 2.480 334 2HG2 ILE 40 2HG2 ILE 40 12.123 6.143 3.503 335 3HG2 ILE 40 1HG2 ILE 40 10.728 6.889 4.237 336 1HD1 ILE 40 2HD1 ILE 40 11.402 8.059 5.729 337 2HD1 ILE 40 1HD1 ILE 40 12.764 8.823 6.564 338 3HD1 ILE 40 3HD1 ILE 40 11.581 9.818 5.638 339 H THR 41 H THR 41 13.419 6.621 0.127 340 HA THR 41 HA THR 41 10.806 6.861 -1.280 341 HB THR 41 HB THR 41 13.399 5.725 -2.377 342 HG1 THR 41 1HG THR 41 13.895 7.650 -2.420 343 1HG2 THR 41 3HG2 THR 41 10.676 5.563 -3.260 344 2HG2 THR 41 2HG2 THR 41 11.376 6.919 -4.177 345 3HG2 THR 41 1HG2 THR 41 12.085 5.291 -4.288 346 H GLN 42 H GLN 42 9.504 5.461 -0.295 347 HA GLN 42 HA GLN 42 10.170 3.014 0.922 348 1HB GLN 42 2HB GLN 42 8.069 4.648 0.791 349 2HB GLN 42 1HB GLN 42 7.642 3.636 -0.599 350 1HG GLN 42 2HG GLN 42 6.519 2.297 0.911 351 2HG GLN 42 1HG GLN 42 8.082 1.676 1.282 352 1HE2 GLN 42 1HE2 GLN 42 5.823 3.142 4.149 353 2HE2 GLN 42 2HE2 GLN 42 5.443 2.429 2.619 354 H GLU 43 H GLU 43 9.992 0.918 0.136 355 HA GLU 43 HA GLU 43 9.506 0.285 -2.727 356 1HB GLU 43 2HB GLU 43 12.137 0.736 -1.517 357 2HB GLU 43 1HB GLU 43 11.908 -0.900 -2.060 358 1HG GLU 43 2HG GLU 43 11.212 1.514 -3.843 359 2HG GLU 43 1HG GLU 43 12.898 0.676 -3.820 360 H GLY 44 H GLY 44 7.772 -1.002 -1.910 361 1HA GLY 44 1HA GLY 44 6.678 -2.715 -0.814 362 2HA GLY 44 2HA GLY 44 8.167 -3.632 -1.258 363 H ASN 45 H ASN 45 9.689 -4.069 0.109 364 HA ASN 45 HA ASN 45 9.424 -3.047 2.856 365 1HB ASN 45 2HB ASN 45 10.862 -5.642 2.249 366 2HB ASN 45 1HB ASN 45 10.236 -5.049 3.779 367 1HD2 ASN 45 1HD2 ASN 45 8.130 -7.900 2.809 368 2HD2 ASN 45 2HD2 ASN 45 9.788 -7.590 3.213 369 H LYS 46 H LYS 46 10.808 -1.339 2.203 370 HA LYS 46 HA LYS 46 13.452 -1.444 2.763 371 1HB LYS 46 2HB LYS 46 14.435 -2.610 1.152 372 2HB LYS 46 1HB LYS 46 12.983 -2.534 0.101 373 1HG LYS 46 2HG LYS 46 14.352 -0.003 -0.151 374 2HG LYS 46 1HG LYS 46 15.553 -1.274 -0.154 375 1HD LYS 46 2HD LYS 46 13.361 -2.074 -1.818 376 2HD LYS 46 1HD LYS 46 13.880 -0.415 -2.224 377 1HE LYS 46 2HE LYS 46 16.152 -1.053 -2.720 378 2HE LYS 46 1HE LYS 46 15.957 -2.649 -2.070 379 1HZ LYS 46 1HZ LYS 46 14.030 -2.585 -3.992 380 2HZ LYS 46 3HZ LYS 46 15.199 -1.584 -4.647 381 3HZ LYS 46 2HZ LYS 46 15.594 -3.150 -4.144 382 H PHE 47 H PHE 47 14.521 0.497 2.092 383 HA PHE 47 HA PHE 47 13.111 2.111 0.138 384 1HB PHE 47 2HB PHE 47 13.577 3.964 2.262 385 2HB PHE 47 1HB PHE 47 11.987 3.592 1.521 386 HD1 PHE 47 HD1 PHE 47 14.457 2.965 4.170 387 HD2 PHE 47 HD2 PHE 47 10.424 2.138 2.986 388 HE1 PHE 47 HE1 PHE 47 13.964 2.098 6.478 389 HE2 PHE 47 HE2 PHE 47 9.927 1.310 5.209 390 HZ PHE 47 HZ PHE 47 11.720 1.280 6.988 391 H THR 48 H THR 48 14.326 3.152 -1.030 392 HA THR 48 HA THR 48 17.190 3.297 -0.660 393 HB THR 48 HB THR 48 15.569 4.775 -2.765 394 HG1 THR 48 1HG THR 48 16.762 2.338 -3.228 395 1HG2 THR 48 3HG2 THR 48 18.147 5.257 -2.292 396 2HG2 THR 48 2HG2 THR 48 18.485 3.656 -2.929 397 3HG2 THR 48 1HG2 THR 48 17.711 4.895 -3.963 398 H VAL 49 H VAL 49 17.002 4.416 1.338 399 HA VAL 49 HA VAL 49 15.820 7.120 1.163 400 HB VAL 49 HB VAL 49 16.410 7.486 3.441 401 1HG1 VAL 49 2HG1 VAL 49 14.458 5.916 2.890 402 2HG1 VAL 49 1HG1 VAL 49 15.524 4.533 3.168 403 3HG1 VAL 49 3HG1 VAL 49 15.129 5.570 4.509 404 1HG2 VAL 49 1HG2 VAL 49 18.724 5.997 3.073 405 2HG2 VAL 49 3HG2 VAL 49 18.053 6.340 4.673 406 3HG2 VAL 49 2HG2 VAL 49 17.695 4.796 3.902 407 H LYS 50 H LYS 50 17.382 9.058 1.345 408 HA LYS 50 HA LYS 50 19.891 8.197 -0.030 409 1HB LYS 50 2HB LYS 50 18.781 10.932 0.486 410 2HB LYS 50 1HB LYS 50 20.376 10.689 -0.235 411 1HG LYS 50 2HG LYS 50 19.437 9.479 -2.118 412 2HG LYS 50 1HG LYS 50 17.747 9.809 -1.534 413 1HD LYS 50 2HD LYS 50 17.950 12.012 -2.176 414 2HD LYS 50 1HD LYS 50 19.692 12.077 -1.671 415 1HE LYS 50 2HE LYS 50 19.646 10.300 -3.842 416 2HE LYS 50 1HE LYS 50 18.543 11.627 -4.337 417 1HZ LYS 50 1HZ LYS 50 20.759 12.797 -3.181 418 2HZ LYS 50 3HZ LYS 50 21.297 11.588 -4.195 419 3HZ LYS 50 2HZ LYS 50 20.264 12.807 -4.765 420 H GLU 51 H GLU 51 20.148 11.141 1.735 421 HA GLU 51 HA GLU 51 20.797 11.513 3.887 422 1HB GLU 51 2HB GLU 51 20.908 8.938 4.425 423 2HB GLU 51 1HB GLU 51 22.486 8.887 3.658 424 1HG GLU 51 2HG GLU 51 23.405 10.381 5.268 425 2HG GLU 51 1HG GLU 51 21.786 10.827 5.859 426 H SER 52 H SER 52 21.718 13.113 2.741 427 HA SER 52 HA SER 52 24.563 12.659 2.172 428 1HB SER 52 2HB SER 52 22.719 12.520 0.069 429 2HB SER 52 1HB SER 52 23.912 13.904 -0.192 430 HG SER 52 HG SER 52 24.212 11.237 -0.301 431 H SER 53 H SER 53 24.822 14.009 3.871 432 HA SER 53 HA SER 53 23.693 16.600 3.939 433 1HB SER 53 2HB SER 53 24.877 16.892 5.900 434 2HB SER 53 1HB SER 53 24.843 15.121 5.752 435 HG SER 53 HG SER 53 26.868 15.120 5.668 436 H ASN 54 H ASN 54 26.103 18.175 4.578 437 HA ASN 54 HA ASN 54 26.761 18.914 1.854 438 1HB ASN 54 2HB ASN 54 26.417 20.525 3.818 439 2HB ASN 54 1HB ASN 54 28.002 20.067 4.414 440 1HD2 ASN 54 2HD2 ASN 54 27.791 22.239 0.854 441 2HD2 ASN 54 1HD2 ASN 54 26.485 21.205 1.311 442 H PHE 55 H PHE 55 27.878 16.195 3.192 443 HA PHE 55 HA PHE 55 30.777 16.878 2.854 444 1HB PHE 55 2HB PHE 55 29.414 14.613 4.340 445 2HB PHE 55 1HB PHE 55 31.159 14.726 3.964 446 HD1 PHE 55 HD2 PHE 55 30.564 18.027 4.492 447 HD2 PHE 55 HD1 PHE 55 30.323 14.293 6.631 448 HE1 PHE 55 HE2 PHE 55 30.858 19.256 6.700 449 HE2 PHE 55 HE1 PHE 55 30.615 15.528 8.778 450 HZ PHE 55 HZ PHE 55 30.873 17.943 8.785 451 H ARG 56 H ARG 56 28.553 14.180 2.681 452 HA ARG 56 HA ARG 56 29.120 13.515 -0.029 453 1HB ARG 56 2HB ARG 56 31.326 12.916 0.990 454 2HB ARG 56 1HB ARG 56 30.535 11.681 1.984 455 1HG ARG 56 2HG ARG 56 29.616 10.735 -0.240 456 2HG ARG 56 1HG ARG 56 30.909 11.696 -0.996 457 1HD ARG 56 2HD ARG 56 31.065 9.250 0.733 458 2HD ARG 56 1HD ARG 56 32.169 9.744 -0.562 459 HE ARG 56 HE ARG 56 32.376 10.394 2.296 460 1HH1 ARG 56 2HH1 ARG 56 33.389 11.149 -0.942 461 2HH1 ARG 56 1HH1 ARG 56 34.886 11.926 -0.482 462 1HH2 ARG 56 1HH2 ARG 56 34.353 11.411 2.986 463 2HH2 ARG 56 2HH2 ARG 56 35.407 12.045 1.785 464 H ASN 57 H ASN 57 28.950 11.852 3.024 465 HA ASN 57 HA ASN 57 27.785 10.112 3.788 466 1HB ASN 57 2HB ASN 57 26.030 12.432 3.368 467 2HB ASN 57 1HB ASN 57 25.161 10.845 3.720 468 1HD2 ASN 57 2HD2 ASN 57 26.612 10.377 6.892 469 2HD2 ASN 57 1HD2 ASN 57 26.075 9.543 5.488 470 H ILE 58 H ILE 58 24.834 9.592 2.339 471 HA ILE 58 HA ILE 58 25.556 8.813 -0.229 472 HB ILE 58 HB ILE 58 26.943 7.289 1.706 473 1HG1 ILE 58 2HG1 ILE 58 26.603 5.903 -0.885 474 2HG1 ILE 58 1HG1 ILE 58 27.036 7.601 -1.043 475 1HG2 ILE 58 3HG2 ILE 58 24.883 6.109 2.245 476 2HG2 ILE 58 2HG2 ILE 58 24.758 5.524 0.546 477 3HG2 ILE 58 1HG2 ILE 58 26.128 5.074 1.543 478 1HD1 ILE 58 2HD1 ILE 58 28.696 6.864 1.018 479 2HD1 ILE 58 1HD1 ILE 58 28.738 5.405 -0.010 480 3HD1 ILE 58 3HD1 ILE 58 29.178 6.941 -0.710 481 H ASP 59 H ASP 59 24.092 7.169 -1.182 482 HA ASP 59 HA ASP 59 21.581 7.393 0.321 483 1HB ASP 59 2HB ASP 59 20.580 6.113 -1.632 484 2HB ASP 59 1HB ASP 59 21.223 7.635 -2.046 485 H VAL 60 H VAL 60 20.715 5.957 1.533 486 HA VAL 60 HA VAL 60 21.932 3.263 1.660 487 HB VAL 60 HB VAL 60 20.116 4.436 3.725 488 1HG1 VAL 60 2HG1 VAL 60 22.285 2.331 3.779 489 2HG1 VAL 60 1HG1 VAL 60 21.702 3.074 5.290 490 3HG1 VAL 60 3HG1 VAL 60 20.592 2.201 4.197 491 1HG2 VAL 60 3HG2 VAL 60 22.547 5.814 3.049 492 2HG2 VAL 60 2HG2 VAL 60 21.650 5.992 4.581 493 3HG2 VAL 60 1HG2 VAL 60 22.977 4.862 4.480 494 H VAL 61 H VAL 61 20.807 1.732 0.913 495 HA VAL 61 HA VAL 61 17.793 1.802 0.815 496 HB VAL 61 HB VAL 61 19.274 -0.186 -0.703 497 1HG1 VAL 61 2HG1 VAL 61 16.797 1.447 -1.080 498 2HG1 VAL 61 1HG1 VAL 61 17.539 0.685 -2.524 499 3HG1 VAL 61 3HG1 VAL 61 17.025 -0.289 -1.133 500 1HG2 VAL 61 1HG2 VAL 61 19.413 2.833 -1.456 501 2HG2 VAL 61 3HG2 VAL 61 20.756 1.634 -1.415 502 3HG2 VAL 61 2HG2 VAL 61 19.598 1.590 -2.718 503 H PHE 62 H PHE 62 16.916 0.287 2.093 504 HA PHE 62 HA PHE 62 18.377 -2.255 2.541 505 1HB PHE 62 2HB PHE 62 18.166 -1.920 5.076 506 2HB PHE 62 1HB PHE 62 19.593 -1.483 4.160 507 HD1 PHE 62 HD1 PHE 62 16.783 1.023 3.824 508 HD2 PHE 62 HD2 PHE 62 20.101 -0.198 6.270 509 HE1 PHE 62 HE1 PHE 62 16.768 3.182 4.881 510 HE2 PHE 62 HE2 PHE 62 20.082 2.014 7.372 511 HZ PHE 62 HZ PHE 62 18.407 3.711 6.662 512 H GLU 63 H GLU 63 16.991 -3.735 2.717 513 HA GLU 63 HA GLU 63 14.209 -3.590 2.798 514 1HB GLU 63 2HB GLU 63 15.845 -5.853 3.935 515 2HB GLU 63 1HB GLU 63 14.142 -5.918 3.290 516 1HG GLU 63 2HG GLU 63 14.933 -6.124 1.110 517 2HG GLU 63 1HG GLU 63 15.856 -4.709 1.256 518 H LEU 64 H LEU 64 13.821 -1.950 4.505 519 HA LEU 64 HA LEU 64 13.466 -1.185 6.638 520 1HB LEU 64 2HB LEU 64 12.319 -3.928 6.445 521 2HB LEU 64 1HB LEU 64 12.492 -3.310 8.090 522 HG LEU 64 HG LEU 64 11.221 -1.657 5.873 523 1HD1 LEU 64 2HD1 LEU 64 9.934 -3.819 7.627 524 2HD1 LEU 64 1HD1 LEU 64 8.946 -2.501 7.013 525 3HD1 LEU 64 3HD1 LEU 64 9.700 -3.564 5.859 526 1HD2 LEU 64 3HD2 LEU 64 11.000 -1.802 8.951 527 2HD2 LEU 64 2HD2 LEU 64 11.788 -0.492 8.039 528 3HD2 LEU 64 1HD2 LEU 64 10.033 -0.645 8.013 529 H GLY 65 H GLY 65 14.117 -4.307 8.197 530 1HA GLY 65 1HA GLY 65 16.371 -2.901 9.400 531 2HA GLY 65 2HA GLY 65 15.455 -4.200 10.062 532 H VAL 66 H VAL 66 18.459 -3.395 9.023 533 HA VAL 66 HA VAL 66 19.257 -6.218 8.593 534 HB VAL 66 HB VAL 66 20.852 -5.200 6.735 535 1HG1 VAL 66 3HG1 VAL 66 18.372 -6.692 6.864 536 2HG1 VAL 66 2HG1 VAL 66 18.259 -5.691 5.422 537 3HG1 VAL 66 1HG1 VAL 66 19.612 -6.819 5.615 538 1HG2 VAL 66 1HG2 VAL 66 18.288 -3.462 6.608 539 2HG2 VAL 66 3HG2 VAL 66 19.951 -2.857 6.772 540 3HG2 VAL 66 2HG2 VAL 66 19.422 -3.593 5.274 541 H ASP 67 H ASP 67 21.407 -6.585 9.300 542 HA ASP 67 HA ASP 67 22.325 -4.510 11.086 543 1HB ASP 67 2HB ASP 67 23.869 -5.842 11.965 544 2HB ASP 67 1HB ASP 67 22.384 -6.755 11.796 545 H PHE 68 H PHE 68 23.991 -3.204 11.046 546 HA PHE 68 HA PHE 68 25.549 -2.884 8.490 547 1HB PHE 68 2HB PHE 68 24.241 -0.835 10.195 548 2HB PHE 68 1HB PHE 68 25.753 -0.480 9.326 549 HD1 PHE 68 HD2 PHE 68 24.176 -2.800 7.173 550 HD2 PHE 68 HD1 PHE 68 23.721 1.261 8.582 551 HE1 PHE 68 HE2 PHE 68 22.878 -2.236 5.170 552 HE2 PHE 68 HE1 PHE 68 22.427 1.814 6.565 553 HZ PHE 68 HZ PHE 68 22.012 0.069 4.876 554 H ALA 69 H ALA 69 25.930 -1.096 11.434 555 HA ALA 69 HA ALA 69 27.428 -1.198 13.164 556 1HB ALA 69 3HB ALA 69 28.062 -3.645 12.496 557 2HB ALA 69 2HB ALA 69 29.391 -2.882 11.538 558 3HB ALA 69 1HB ALA 69 29.286 -2.635 13.286 559 H TYR 70 H TYR 70 26.987 0.645 11.239 560 HA TYR 70 HA TYR 70 29.654 1.869 10.798 561 1HB TYR 70 2HB TYR 70 28.954 1.734 8.532 562 2HB TYR 70 1HB TYR 70 27.225 1.544 9.018 563 HD1 TYR 70 HD1 TYR 70 29.869 4.233 9.551 564 HD2 TYR 70 HD2 TYR 70 25.884 3.376 8.043 565 HE1 TYR 70 HE1 TYR 70 29.558 6.544 9.039 566 HE2 TYR 70 HE2 TYR 70 25.597 5.715 7.536 567 HH TYR 70 HH TYR 70 26.544 7.870 8.418 568 H SER 71 H SER 71 29.827 3.894 11.577 569 HA SER 71 HA SER 71 28.256 4.725 13.741 570 1HB SER 71 2HB SER 71 29.796 6.158 14.067 571 2HB SER 71 1HB SER 71 30.646 5.448 12.713 572 HG SER 71 HG SER 71 30.556 7.549 12.204 573 H LEU 72 H LEU 72 27.244 6.485 14.184 574 HA LEU 72 HA LEU 72 25.072 7.083 12.391 575 1HB LEU 72 2HB LEU 72 24.098 8.176 14.344 576 2HB LEU 72 1HB LEU 72 24.873 6.644 14.827 577 HG LEU 72 HG LEU 72 25.792 7.727 16.466 578 1HD1 LEU 72 1HD1 LEU 72 27.692 8.349 14.352 579 2HD1 LEU 72 3HD1 LEU 72 27.461 9.783 15.368 580 3HD1 LEU 72 2HD1 LEU 72 27.935 8.269 16.104 581 1HD2 LEU 72 1HD2 LEU 72 24.420 9.939 15.047 582 2HD2 LEU 72 3HD2 LEU 72 24.523 9.648 16.820 583 3HD2 LEU 72 2HD2 LEU 72 25.807 10.506 15.985 584 H ALA 73 H ALA 73 26.911 7.872 10.948 585 HA ALA 73 HA ALA 73 27.229 9.653 9.540 586 1HB ALA 73 1HB ALA 73 25.509 10.977 10.881 587 2HB ALA 73 3HB ALA 73 26.965 11.813 11.563 588 3HB ALA 73 2HB ALA 73 26.725 11.762 9.812 589 H ASP 74 H ASP 74 28.398 10.507 12.776 590 HA ASP 74 HA ASP 74 31.202 9.909 12.126 591 1HB ASP 74 2HB ASP 74 30.519 12.679 12.028 592 2HB ASP 74 1HB ASP 74 32.002 12.124 12.848 593 H GLY 75 H GLY 75 30.607 8.523 13.896 594 1HA GLY 75 1HA GLY 75 31.520 9.622 16.507 595 2HA GLY 75 2HA GLY 75 30.003 8.770 16.458 596 H THR 76 H THR 76 30.032 6.450 15.925 597 HA THR 76 HA THR 76 32.710 5.281 15.561 598 HB THR 76 HB THR 76 32.061 5.623 18.068 599 HG1 THR 76 1HG THR 76 33.449 3.539 18.059 600 1HG2 THR 76 1HG2 THR 76 30.928 2.833 17.332 601 2HG2 THR 76 3HG2 THR 76 31.607 3.116 18.911 602 3HG2 THR 76 2HG2 THR 76 30.165 4.010 18.382 603 H GLU 77 H GLU 77 29.181 4.417 16.240 604 HA GLU 77 HA GLU 77 29.287 2.732 13.780 605 1HB GLU 77 2HB GLU 77 29.640 1.676 16.535 606 2HB GLU 77 1HB GLU 77 28.421 0.912 15.612 607 1HG GLU 77 2HG GLU 77 29.947 -0.464 14.674 608 2HG GLU 77 1HG GLU 77 30.544 0.927 13.734 609 H LEU 78 H LEU 78 27.199 1.104 13.933 610 HA LEU 78 HA LEU 78 25.061 1.708 15.636 611 1HB LEU 78 2HB LEU 78 25.520 3.716 13.498 612 2HB LEU 78 1HB LEU 78 24.099 2.857 13.011 613 HG LEU 78 HG LEU 78 24.521 4.678 15.288 614 1HD1 LEU 78 1HD1 LEU 78 22.459 4.271 13.105 615 2HD1 LEU 78 3HD1 LEU 78 21.942 5.053 14.608 616 3HD1 LEU 78 2HD1 LEU 78 23.276 5.737 13.656 617 1HD2 LEU 78 1HD2 LEU 78 23.024 2.050 15.293 618 2HD2 LEU 78 3HD2 LEU 78 23.336 3.081 16.730 619 3HD2 LEU 78 2HD2 LEU 78 21.935 3.354 15.679 620 H THR 79 H THR 79 25.046 -0.524 15.398 621 HA THR 79 HA THR 79 24.161 -1.669 12.781 622 HB THR 79 HB THR 79 26.132 -2.825 13.800 623 HG1 THR 79 1HG THR 79 25.402 -4.539 12.928 624 1HG2 THR 79 2HG2 THR 79 24.110 -3.596 15.961 625 2HG2 THR 79 1HG2 THR 79 25.629 -4.470 15.632 626 3HG2 THR 79 3HG2 THR 79 25.682 -2.790 16.204 627 H GLY 80 H GLY 80 22.839 -4.006 13.868 628 1HA GLY 80 1HA GLY 80 20.954 -4.561 15.263 629 2HA GLY 80 2HA GLY 80 20.609 -2.840 15.443 630 H THR 81 H THR 81 19.206 -1.972 14.235 631 HA THR 81 HA THR 81 18.868 -2.238 11.425 632 HB THR 81 HB THR 81 17.728 -4.256 11.299 633 HG1 THR 81 1HG THR 81 15.671 -3.190 12.816 634 1HG2 THR 81 3HG2 THR 81 17.032 -4.148 14.269 635 2HG2 THR 81 2HG2 THR 81 16.504 -5.397 13.142 636 3HG2 THR 81 1HG2 THR 81 18.223 -5.237 13.466 637 H TRP 82 H TRP 82 18.067 -0.445 10.924 638 HA TRP 82 HA TRP 82 16.112 0.970 12.707 639 1HB TRP 82 2HB TRP 82 16.718 1.665 9.811 640 2HB TRP 82 1HB TRP 82 16.142 2.773 11.012 641 HD1 TRP 82 HD1 TRP 82 19.535 0.753 11.385 642 HE1 TRP 82 HE1 TRP 82 21.393 2.559 11.477 643 HE3 TRP 82 HE3 TRP 82 16.808 4.982 10.525 644 HZ2 TRP 82 HZ2 TRP 82 21.661 5.410 11.234 645 HZ3 TRP 82 HZ3 TRP 82 17.816 7.146 10.477 646 HH2 TRP 82 HH2 TRP 82 20.354 7.374 10.843 647 H THR 83 H THR 83 13.960 0.982 12.204 648 HA THR 83 HA THR 83 13.059 -0.176 9.590 649 HB THR 83 HB THR 83 11.188 -1.377 10.810 650 HG1 THR 83 1HG THR 83 11.528 -1.882 12.887 651 1HG2 THR 83 1HG2 THR 83 14.091 -2.292 11.181 652 2HG2 THR 83 3HG2 THR 83 12.674 -3.371 11.411 653 3HG2 THR 83 2HG2 THR 83 13.105 -2.716 9.796 654 H MET 84 H MET 84 10.408 0.113 9.908 655 HA MET 84 HA MET 84 9.725 2.520 11.497 656 1HB MET 84 2HB MET 84 8.638 3.464 9.382 657 2HB MET 84 1HB MET 84 10.241 3.192 8.950 658 1HG MET 84 2HG MET 84 9.919 1.420 7.570 659 2HG MET 84 1HG MET 84 8.689 0.771 8.553 660 1HE MET 84 2HE MET 84 7.981 0.236 5.992 661 2HE MET 84 1HE MET 84 6.268 0.553 6.501 662 3HE MET 84 3HE MET 84 6.943 1.300 5.018 663 H GLU 85 H GLU 85 7.142 2.401 10.017 664 HA GLU 85 HA GLU 85 6.378 -0.386 10.532 665 1HB GLU 85 2HB GLU 85 6.323 1.211 12.729 666 2HB GLU 85 1HB GLU 85 4.831 1.804 11.951 667 1HG GLU 85 2HG GLU 85 4.838 -1.137 11.949 668 2HG GLU 85 1HG GLU 85 5.383 -0.674 13.500 669 H GLY 86 H GLY 86 5.342 2.865 9.765 670 1HA GLY 86 1HA GLY 86 4.361 2.747 7.306 671 2HA GLY 86 2HA GLY 86 2.965 2.038 8.281 672 H ASN 87 H ASN 87 3.630 3.176 10.690 673 HA ASN 87 HA ASN 87 2.860 5.988 10.155 674 1HB ASN 87 2HB ASN 87 2.273 5.945 12.611 675 2HB ASN 87 1HB ASN 87 1.269 5.917 11.083 676 1HD2 ASN 87 1HD2 ASN 87 1.178 2.823 13.676 677 2HD2 ASN 87 2HD2 ASN 87 1.715 4.410 14.089 678 H LYS 88 H LYS 88 5.742 4.520 10.533 679 HA LYS 88 HA LYS 88 7.272 6.719 11.190 680 1HB LYS 88 2HB LYS 88 7.999 6.168 13.506 681 2HB LYS 88 1HB LYS 88 6.475 6.881 13.507 682 1HG LYS 88 2HG LYS 88 5.518 4.431 13.584 683 2HG LYS 88 1HG LYS 88 7.208 4.032 14.134 684 1HD LYS 88 2HD LYS 88 6.486 4.736 16.219 685 2HD LYS 88 1HD LYS 88 6.806 6.281 15.509 686 1HE LYS 88 2HE LYS 88 4.627 6.875 15.762 687 2HE LYS 88 1HE LYS 88 4.152 5.555 14.634 688 1HZ LYS 88 1HZ LYS 88 4.642 5.197 17.518 689 2HZ LYS 88 3HZ LYS 88 3.130 5.654 16.916 690 3HZ LYS 88 2HZ LYS 88 3.799 4.166 16.470 691 H LEU 89 H LEU 89 9.197 6.426 11.141 692 HA LEU 89 HA LEU 89 10.596 3.909 10.535 693 1HB LEU 89 2HB LEU 89 11.049 6.810 10.340 694 2HB LEU 89 1HB LEU 89 12.230 6.014 11.271 695 HG LEU 89 HG LEU 89 11.448 5.523 8.390 696 1HD1 LEU 89 1HD1 LEU 89 13.623 6.972 9.767 697 2HD1 LEU 89 3HD1 LEU 89 14.252 5.907 8.505 698 3HD1 LEU 89 2HD1 LEU 89 13.068 7.115 8.081 699 1HD2 LEU 89 3HD2 LEU 89 13.581 3.906 10.046 700 2HD2 LEU 89 2HD2 LEU 89 12.066 3.214 9.466 701 3HD2 LEU 89 1HD2 LEU 89 13.304 3.737 8.299 702 H VAL 90 H VAL 90 12.734 4.044 11.837 703 HA VAL 90 HA VAL 90 12.748 4.553 14.707 704 HB VAL 90 HB VAL 90 13.151 1.775 14.081 705 1HG1 VAL 90 3HG1 VAL 90 12.788 3.545 16.352 706 2HG1 VAL 90 2HG1 VAL 90 11.621 2.245 16.510 707 3HG1 VAL 90 1HG1 VAL 90 13.339 1.843 16.427 708 1HG2 VAL 90 1HG2 VAL 90 10.654 2.276 13.208 709 2HG2 VAL 90 3HG2 VAL 90 10.761 1.135 14.535 710 3HG2 VAL 90 2HG2 VAL 90 10.305 2.791 14.894 711 H GLY 91 H GLY 91 14.712 5.447 14.408 712 1HA GLY 91 1HA GLY 91 16.554 4.671 12.427 713 2HA GLY 91 2HA GLY 91 16.885 5.746 13.777 714 H LYS 92 H LYS 92 15.713 3.424 15.370 715 HA LYS 92 HA LYS 92 16.493 1.995 16.891 716 1HB LYS 92 2HB LYS 92 17.143 0.660 14.276 717 2HB LYS 92 1HB LYS 92 17.343 -0.184 15.860 718 1HG LYS 92 2HG LYS 92 14.840 1.319 15.375 719 2HG LYS 92 1HG LYS 92 14.935 -0.284 14.739 720 1HD LYS 92 2HD LYS 92 16.138 -0.508 17.329 721 2HD LYS 92 1HD LYS 92 14.870 0.673 17.520 722 1HE LYS 92 2HE LYS 92 14.272 -2.004 16.096 723 2HE LYS 92 1HE LYS 92 14.115 -1.859 17.870 724 1HZ LYS 92 2HZ LYS 92 12.580 -0.020 17.501 725 2HZ LYS 92 1HZ LYS 92 12.676 -0.245 15.846 726 3HZ LYS 92 3HZ LYS 92 12.066 -1.467 16.793 727 H PHE 93 H PHE 93 18.921 0.129 16.506 728 HA PHE 93 HA PHE 93 21.222 1.832 16.677 729 1HB PHE 93 2HB PHE 93 20.952 1.478 19.388 730 2HB PHE 93 1HB PHE 93 20.438 2.899 18.629 731 HD1 PHE 93 HD2 PHE 93 19.728 -0.651 19.260 732 HD2 PHE 93 HD1 PHE 93 17.773 3.161 19.275 733 HE1 PHE 93 HE2 PHE 93 17.751 -1.712 20.139 734 HE2 PHE 93 HE1 PHE 93 15.752 2.026 20.316 735 HZ PHE 93 HZ PHE 93 15.751 -0.401 20.682 736 H LYS 94 H LYS 94 22.392 1.261 18.582 737 HA LYS 94 HA LYS 94 23.087 0.160 20.346 738 1HB LYS 94 2HB LYS 94 22.070 -2.307 18.851 739 2HB LYS 94 1HB LYS 94 23.704 -2.403 19.885 740 1HG LYS 94 2HG LYS 94 22.688 -1.214 21.665 741 2HG LYS 94 1HG LYS 94 21.303 -0.886 20.826 742 1HD LYS 94 2HD LYS 94 20.379 -3.054 21.212 743 2HD LYS 94 1HD LYS 94 21.953 -3.805 21.499 744 1HE LYS 94 2HE LYS 94 20.925 -3.688 23.582 745 2HE LYS 94 1HE LYS 94 22.049 -2.253 23.587 746 1HZ LYS 94 1HZ LYS 94 19.609 -1.444 22.557 747 2HZ LYS 94 3HZ LYS 94 19.327 -2.283 23.988 748 3HZ LYS 94 2HZ LYS 94 20.379 -0.970 23.988 749 H ARG 95 H ARG 95 24.167 1.675 19.250 750 HA ARG 95 HA ARG 95 25.764 2.118 17.344 751 1HB ARG 95 2HB ARG 95 27.092 1.729 20.070 752 2HB ARG 95 1HB ARG 95 27.360 2.948 18.732 753 1HG ARG 95 2HG ARG 95 25.189 2.850 20.828 754 2HG ARG 95 1HG ARG 95 26.410 4.023 20.540 755 1HD ARG 95 2HD ARG 95 23.970 3.391 18.715 756 2HD ARG 95 1HD ARG 95 24.437 4.870 19.417 757 HE ARG 95 HE ARG 95 25.266 4.040 16.901 758 1HH1 ARG 95 2HH2 ARG 95 26.651 5.674 19.818 759 2HH1 ARG 95 1HH2 ARG 95 27.801 6.553 18.888 760 1HH2 ARG 95 1HH1 ARG 95 26.991 5.457 15.760 761 2HH2 ARG 95 2HH1 ARG 95 27.980 6.458 16.794 762 H VAL 96 H VAL 96 27.283 0.087 19.780 763 HA VAL 96 HA VAL 96 28.139 -2.221 19.105 764 HB VAL 96 HB VAL 96 29.106 -0.270 17.056 765 1HG1 VAL 96 1HG1 VAL 96 30.792 -2.491 18.164 766 2HG1 VAL 96 3HG1 VAL 96 31.040 -1.760 16.534 767 3HG1 VAL 96 2HG1 VAL 96 31.167 -0.743 17.980 768 1HG2 VAL 96 2HG2 VAL 96 27.436 -2.558 16.975 769 2HG2 VAL 96 1HG2 VAL 96 28.160 -1.825 15.558 770 3HG2 VAL 96 3HG2 VAL 96 29.012 -3.171 16.399 771 H ASP 97 H ASP 97 28.977 1.146 19.585 772 HA ASP 97 HA ASP 97 31.605 0.744 20.730 773 1HB ASP 97 2HB ASP 97 31.795 2.840 20.877 774 2HB ASP 97 1HB ASP 97 30.139 3.036 20.334 775 H ASN 98 H ASN 98 28.379 0.279 21.688 776 HA ASN 98 HA ASN 98 28.898 -1.333 23.930 777 1HB ASN 98 2HB ASN 98 29.693 0.352 25.136 778 2HB ASN 98 1HB ASN 98 28.513 1.447 24.537 779 1HD2 ASN 98 2HD2 ASN 98 26.309 1.043 27.181 780 2HD2 ASN 98 1HD2 ASN 98 26.821 1.938 25.768 781 H GLY 99 H GLY 99 26.690 0.921 22.382 782 1HA GLY 99 1HA GLY 99 24.643 0.016 21.423 783 2HA GLY 99 2HA GLY 99 24.328 -0.890 22.841 784 H LYS 100 H LYS 100 23.609 1.857 21.202 785 HA LYS 100 HA LYS 100 22.648 3.496 23.531 786 1HB LYS 100 2HB LYS 100 23.947 4.213 21.135 787 2HB LYS 100 1HB LYS 100 22.395 4.991 21.334 788 1HG LYS 100 2HG LYS 100 24.211 6.302 22.456 789 2HG LYS 100 1HG LYS 100 23.207 5.475 23.760 790 1HD LYS 100 2HD LYS 100 24.795 3.807 24.136 791 2HD LYS 100 1HD LYS 100 25.310 3.802 22.553 792 1HE LYS 100 2HE LYS 100 26.762 5.808 22.952 793 2HE LYS 100 1HE LYS 100 26.173 5.908 24.629 794 1HZ LYS 100 2HZ LYS 100 26.931 3.303 24.330 795 2HZ LYS 100 1HZ LYS 100 28.106 4.236 23.572 796 3HZ LYS 100 3HZ LYS 100 27.700 4.548 25.193 797 H GLU 101 H GLU 101 20.726 4.971 22.260 798 HA GLU 101 HA GLU 101 19.354 3.184 20.409 799 1HB GLU 101 2HB GLU 101 17.828 3.800 22.936 800 2HB GLU 101 1HB GLU 101 17.088 3.351 21.447 801 1HG GLU 101 2HG GLU 101 18.328 1.135 21.395 802 2HG GLU 101 1HG GLU 101 19.130 1.612 22.786 803 H LEU 102 H LEU 102 20.495 4.983 19.519 804 HA LEU 102 HA LEU 102 19.772 7.643 19.287 805 1HB LEU 102 2HB LEU 102 20.063 5.664 16.922 806 2HB LEU 102 1HB LEU 102 19.898 7.395 16.789 807 HG LEU 102 HG LEU 102 22.006 6.921 18.736 808 1HD1 LEU 102 2HD1 LEU 102 21.790 4.615 17.185 809 2HD1 LEU 102 1HD1 LEU 102 22.927 5.630 16.225 810 3HD1 LEU 102 3HD1 LEU 102 23.286 5.216 17.920 811 1HD2 LEU 102 3HD2 LEU 102 21.415 8.441 16.311 812 2HD2 LEU 102 2HD2 LEU 102 22.843 8.610 17.386 813 3HD2 LEU 102 1HD2 LEU 102 22.839 7.501 15.964 814 H ILE 103 H ILE 103 18.397 4.918 17.438 815 HA ILE 103 HA ILE 103 16.359 4.248 16.937 816 HB ILE 103 HB ILE 103 16.089 5.943 19.367 817 1HG1 ILE 103 2HG1 ILE 103 16.099 3.815 19.881 818 2HG1 ILE 103 1HG1 ILE 103 14.381 4.172 19.926 819 1HG2 ILE 103 1HG2 ILE 103 14.449 7.120 17.933 820 2HG2 ILE 103 3HG2 ILE 103 13.488 5.651 17.886 821 3HG2 ILE 103 2HG2 ILE 103 13.831 6.433 19.473 822 1HD1 ILE 103 1HD1 ILE 103 14.992 3.170 17.302 823 2HD1 ILE 103 3HD1 ILE 103 15.561 2.082 18.516 824 3HD1 ILE 103 2HD1 ILE 103 13.869 2.493 18.545 825 H ALA 104 H ALA 104 17.660 6.978 15.973 826 HA ALA 104 HA ALA 104 16.265 8.954 14.938 827 1HB ALA 104 3HB ALA 104 18.473 7.694 14.038 828 2HB ALA 104 2HB ALA 104 17.388 7.391 12.654 829 3HB ALA 104 1HB ALA 104 17.685 9.074 13.264 830 H VAL 105 H VAL 105 14.073 8.232 15.282 831 HA VAL 105 HA VAL 105 12.876 6.655 12.983 832 HB VAL 105 HB VAL 105 11.637 5.900 14.555 833 1HG1 VAL 105 3HG1 VAL 105 12.414 8.280 16.206 834 2HG1 VAL 105 2HG1 VAL 105 10.788 7.702 16.525 835 3HG1 VAL 105 1HG1 VAL 105 12.184 6.590 16.759 836 1HG2 VAL 105 3HG2 VAL 105 10.108 8.508 14.095 837 2HG2 VAL 105 2HG2 VAL 105 10.046 6.941 13.212 838 3HG2 VAL 105 1HG2 VAL 105 9.500 6.995 14.862 839 H ARG 106 H ARG 106 12.044 8.056 11.306 840 HA ARG 106 HA ARG 106 11.998 11.012 11.500 841 1HB ARG 106 2HB ARG 106 11.926 8.907 9.538 842 2HB ARG 106 1HB ARG 106 10.475 9.912 9.316 843 1HG ARG 106 2HG ARG 106 11.624 11.344 8.265 844 2HG ARG 106 1HG ARG 106 12.183 11.911 9.772 845 1HD ARG 106 2HD ARG 106 13.777 9.724 8.441 846 2HD ARG 106 1HD ARG 106 14.072 11.486 8.056 847 HE ARG 106 HE ARG 106 14.266 11.627 10.604 848 1HH1 ARG 106 2HH1 ARG 106 15.429 8.855 8.681 849 2HH1 ARG 106 1HH1 ARG 106 16.644 8.475 9.823 850 1HH2 ARG 106 1HH2 ARG 106 15.973 11.040 12.086 851 2HH2 ARG 106 2HH2 ARG 106 16.938 9.643 11.623 852 H GLU 107 H GLU 107 10.046 8.183 11.777 853 HA GLU 107 HA GLU 107 7.986 7.745 12.455 854 1HB GLU 107 2HB GLU 107 8.506 10.498 13.417 855 2HB GLU 107 1HB GLU 107 6.720 9.993 13.306 856 1HG GLU 107 2HG GLU 107 7.872 7.858 14.613 857 2HG GLU 107 1HG GLU 107 8.773 9.095 15.267 858 H ILE 108 H ILE 108 7.926 11.108 11.420 859 HA ILE 108 HA ILE 108 6.898 12.382 9.956 860 HB ILE 108 HB ILE 108 7.637 10.335 8.528 861 1HG1 ILE 108 2HG1 ILE 108 5.468 12.282 7.573 862 2HG1 ILE 108 1HG1 ILE 108 7.080 12.737 8.097 863 1HG2 ILE 108 3HG2 ILE 108 4.498 10.158 8.387 864 2HG2 ILE 108 2HG2 ILE 108 5.491 9.691 7.029 865 3HG2 ILE 108 1HG2 ILE 108 5.585 8.772 8.512 866 1HD1 ILE 108 1HD1 ILE 108 7.569 10.682 6.159 867 2HD1 ILE 108 3HD1 ILE 108 6.217 11.663 5.482 868 3HD1 ILE 108 2HD1 ILE 108 7.709 12.459 5.891 869 H SER 109 H SER 109 5.078 13.452 10.105 870 HA SER 109 HA SER 109 2.556 12.149 10.065 871 1HB SER 109 2HB SER 109 3.133 11.330 12.322 872 2HB SER 109 1HB SER 109 3.850 12.888 12.718 873 HG SER 109 HG SER 109 1.292 12.083 13.032 874 H GLY 110 H GLY 110 1.625 13.503 8.958 875 1HA GLY 110 1HA GLY 110 0.629 15.363 8.188 876 2HA GLY 110 2HA GLY 110 0.826 16.051 9.879 877 H ASN 111 H ASN 111 2.404 15.550 6.745 878 HA ASN 111 HA ASN 111 4.141 16.720 5.670 879 1HB ASN 111 2HB ASN 111 2.340 18.280 5.631 880 2HB ASN 111 1HB ASN 111 2.980 19.067 7.037 881 1HD2 ASN 111 2HD2 ASN 111 4.840 21.122 4.893 882 2HD2 ASN 111 1HD2 ASN 111 3.663 21.011 6.150 883 H GLU 112 H GLU 112 5.201 15.296 7.701 884 HA GLU 112 HA GLU 112 7.174 17.098 9.084 885 1HB GLU 112 2HB GLU 112 5.187 15.324 10.298 886 2HB GLU 112 1HB GLU 112 6.775 14.710 10.584 887 1HG GLU 112 2HG GLU 112 5.708 16.342 12.305 888 2HG GLU 112 1HG GLU 112 7.353 16.555 11.909 889 H LEU 113 H LEU 113 8.545 15.321 10.124 890 HA LEU 113 HA LEU 113 9.117 12.701 9.111 891 1HB LEU 113 2HB LEU 113 11.202 14.871 8.420 892 2HB LEU 113 1HB LEU 113 11.481 13.166 8.652 893 HG LEU 113 HG LEU 113 9.849 14.241 6.325 894 1HD1 LEU 113 2HD1 LEU 113 12.686 13.824 6.935 895 2HD1 LEU 113 1HD1 LEU 113 12.224 12.543 5.855 896 3HD1 LEU 113 3HD1 LEU 113 11.934 14.272 5.432 897 1HD2 LEU 113 1HD2 LEU 113 9.434 11.718 7.502 898 2HD2 LEU 113 3HD2 LEU 113 9.454 11.881 5.769 899 3HD2 LEU 113 2HD2 LEU 113 10.917 11.379 6.551 900 H ILE 114 H ILE 114 8.259 14.056 11.254 901 HA ILE 114 HA ILE 114 9.032 15.279 13.134 902 HB ILE 114 HB ILE 114 9.264 12.430 14.026 903 1HG1 ILE 114 2HG1 ILE 114 7.388 12.814 12.000 904 2HG1 ILE 114 1HG1 ILE 114 7.157 11.826 13.347 905 1HG2 ILE 114 3HG2 ILE 114 9.531 14.321 15.395 906 2HG2 ILE 114 2HG2 ILE 114 7.815 14.679 15.263 907 3HG2 ILE 114 1HG2 ILE 114 8.277 13.115 15.868 908 1HD1 ILE 114 2HD1 ILE 114 6.426 14.750 13.754 909 2HD1 ILE 114 1HD1 ILE 114 5.481 13.894 12.539 910 3HD1 ILE 114 3HD1 ILE 114 5.505 13.278 14.219 911 H GLN 115 H GLN 115 11.065 12.436 12.349 912 HA GLN 115 HA GLN 115 13.216 11.746 12.935 913 1HB GLN 115 2HB GLN 115 13.477 14.772 13.633 914 2HB GLN 115 1HB GLN 115 14.773 13.570 13.731 915 1HG GLN 115 2HG GLN 115 13.549 13.536 11.042 916 2HG GLN 115 1HG GLN 115 13.877 15.209 11.564 917 1HE2 GLN 115 2HE2 GLN 115 17.351 14.771 12.227 918 2HE2 GLN 115 1HE2 GLN 115 15.901 15.514 12.892 919 H THR 116 H THR 116 14.250 11.102 15.017 920 HA THR 116 HA THR 116 13.328 12.101 17.457 921 HB THR 116 HB THR 116 11.563 9.978 16.183 922 HG1 THR 116 1HG THR 116 11.086 12.194 17.749 923 1HG2 THR 116 3HG2 THR 116 12.549 9.976 19.121 924 2HG2 THR 116 2HG2 THR 116 10.780 9.887 18.936 925 3HG2 THR 116 1HG2 THR 116 11.762 8.656 18.197 926 H TYR 117 H TYR 117 15.595 11.709 17.317 927 HA TYR 117 HA TYR 117 16.065 8.813 17.838 928 1HB TYR 117 2HB TYR 117 18.608 10.015 18.033 929 2HB TYR 117 1HB TYR 117 18.103 9.021 16.849 930 HD1 TYR 117 HD1 TYR 117 17.604 12.752 17.194 931 HD2 TYR 117 HD2 TYR 117 18.832 9.512 14.790 932 HE1 TYR 117 HE1 TYR 117 18.178 14.303 15.353 933 HE2 TYR 117 HE2 TYR 117 19.402 10.972 12.929 934 HH TYR 117 HH TYR 117 18.938 13.128 12.121 935 H THR 118 H THR 118 15.692 8.399 19.735 936 HA THR 118 HA THR 118 16.456 10.142 21.955 937 HB THR 118 HB THR 118 14.876 7.646 22.316 938 HG1 THR 118 1HG THR 118 13.164 9.322 22.025 939 1HG2 THR 118 2HG2 THR 118 15.848 9.662 24.046 940 2HG2 THR 118 1HG2 THR 118 14.419 10.470 23.456 941 3HG2 THR 118 3HG2 THR 118 14.238 8.904 24.332 942 H TYR 119 H TYR 119 18.780 9.029 21.129 943 HA TYR 119 HA TYR 119 19.548 6.375 21.898 944 1HB TYR 119 2HB TYR 119 21.778 7.124 22.129 945 2HB TYR 119 1HB TYR 119 21.038 7.851 20.702 946 HD1 TYR 119 HD1 TYR 119 20.033 10.389 21.143 947 HD2 TYR 119 HD2 TYR 119 22.824 8.418 23.728 948 HE1 TYR 119 HE1 TYR 119 20.641 12.479 22.185 949 HE2 TYR 119 HE2 TYR 119 23.431 10.517 24.762 950 HH TYR 119 HH TYR 119 21.760 13.050 24.825 951 H GLU 120 H GLU 120 18.586 8.997 24.079 952 HA GLU 120 HA GLU 120 19.010 7.047 26.182 953 1HB GLU 120 2HB GLU 120 21.128 7.187 26.523 954 2HB GLU 120 1HB GLU 120 21.284 8.387 25.241 955 1HG GLU 120 2HG GLU 120 22.140 9.741 26.790 956 2HG GLU 120 1HG GLU 120 20.464 10.148 27.010 957 H GLY 121 H GLY 121 17.147 9.247 25.303 958 1HA GLY 121 1HA GLY 121 15.412 9.953 26.860 959 2HA GLY 121 2HA GLY 121 16.538 10.264 28.051 960 H VAL 122 H VAL 122 16.893 11.126 24.628 961 HA VAL 122 HA VAL 122 16.459 13.975 25.367 962 HB VAL 122 HB VAL 122 18.737 12.570 24.006 963 1HG1 VAL 122 3HG1 VAL 122 17.736 14.518 22.371 964 2HG1 VAL 122 2HG1 VAL 122 18.501 15.549 23.576 965 3HG1 VAL 122 1HG1 VAL 122 19.468 14.340 22.658 966 1HG2 VAL 122 2HG2 VAL 122 18.379 13.905 26.411 967 2HG2 VAL 122 1HG2 VAL 122 19.967 13.772 25.624 968 3HG2 VAL 122 3HG2 VAL 122 18.975 15.240 25.400 969 H GLU 123 H GLU 123 17.021 11.970 22.422 970 HA GLU 123 HA GLU 123 15.867 11.774 20.368 971 1HB GLU 123 2HB GLU 123 13.652 12.117 22.065 972 2HB GLU 123 1HB GLU 123 13.714 13.709 21.489 973 1HG GLU 123 2HG GLU 123 13.599 13.016 19.098 974 2HG GLU 123 1HG GLU 123 13.851 11.453 19.495 975 H ALA 124 H ALA 124 16.567 12.788 18.785 976 HA ALA 124 HA ALA 124 16.407 15.748 18.969 977 1HB ALA 124 1HB ALA 124 18.752 14.106 17.788 978 2HB ALA 124 3HB ALA 124 18.430 15.739 17.226 979 3HB ALA 124 2HB ALA 124 18.773 15.395 18.977 980 H LYS 125 H LYS 125 15.190 16.633 17.641 981 HA LYS 125 HA LYS 125 14.826 15.315 15.044 982 1HB LYS 125 2HB LYS 125 12.168 15.943 15.912 983 2HB LYS 125 1HB LYS 125 12.913 14.478 15.258 984 1HG LYS 125 2HG LYS 125 12.262 13.655 17.454 985 2HG LYS 125 1HG LYS 125 13.940 14.046 17.536 986 1HD LYS 125 2HD LYS 125 12.161 14.865 19.288 987 2HD LYS 125 1HD LYS 125 13.502 15.916 18.853 988 1HE LYS 125 2HE LYS 125 10.981 16.833 18.960 989 2HE LYS 125 1HE LYS 125 11.915 17.282 17.453 990 1HZ LYS 125 2HZ LYS 125 10.724 14.993 16.775 991 2HZ LYS 125 1HZ LYS 125 9.720 15.449 18.010 992 3HZ LYS 125 3HZ LYS 125 9.961 16.524 16.724 993 H ARG 126 H ARG 126 12.771 16.846 13.959 994 HA ARG 126 HA ARG 126 12.335 19.440 14.791 995 1HB ARG 126 2HB ARG 126 15.035 19.357 13.823 996 2HB ARG 126 1HB ARG 126 13.977 20.684 13.238 997 1HG ARG 126 2HG ARG 126 13.684 20.156 16.119 998 2HG ARG 126 1HG ARG 126 15.295 20.867 15.670 999 1HD ARG 126 2HD ARG 126 13.776 22.636 16.089 1000 2HD ARG 126 1HD ARG 126 13.820 22.566 14.281 1001 HE ARG 126 HE ARG 126 11.776 21.214 14.391 1002 1HH1 ARG 126 2HH1 ARG 126 12.379 23.428 17.102 1003 2HH1 ARG 126 1HH1 ARG 126 10.704 23.564 17.441 1004 1HH2 ARG 126 1HH2 ARG 126 9.594 21.429 14.900 1005 2HH2 ARG 126 2HH2 ARG 126 9.169 22.469 16.236 1006 H ILE 127 H ILE 127 13.421 17.382 12.248 1007 HA ILE 127 HA ILE 127 12.007 16.711 10.528 1008 HB ILE 127 HB ILE 127 10.720 19.458 10.555 1009 1HG1 ILE 127 2HG1 ILE 127 8.869 18.371 11.588 1010 2HG1 ILE 127 1HG1 ILE 127 9.458 16.781 11.077 1011 1HG2 ILE 127 1HG2 ILE 127 10.818 18.725 8.353 1012 2HG2 ILE 127 3HG2 ILE 127 10.118 17.140 8.852 1013 3HG2 ILE 127 2HG2 ILE 127 9.176 18.599 8.905 1014 1HD1 ILE 127 1HD1 ILE 127 11.113 16.833 12.946 1015 2HD1 ILE 127 3HD1 ILE 127 10.484 18.346 13.560 1016 3HD1 ILE 127 2HD1 ILE 127 9.429 17.006 13.571 1017 H PHE 128 H PHE 128 11.896 16.745 8.557 1018 HA PHE 128 HA PHE 128 14.023 16.975 6.929 1019 1HB PHE 128 2HB PHE 128 12.300 16.614 5.190 1020 2HB PHE 128 1HB PHE 128 11.773 15.738 6.568 1021 HD1 PHE 128 HD1 PHE 128 11.273 19.180 5.098 1022 HD2 PHE 128 HD2 PHE 128 9.527 15.927 7.110 1023 HE1 PHE 128 HE1 PHE 128 9.105 20.293 4.863 1024 HE2 PHE 128 HE2 PHE 128 7.308 17.011 6.859 1025 HZ PHE 128 HZ PHE 128 7.081 19.215 5.732 1026 H LYS 129 H LYS 129 14.262 17.752 5.099 1027 HA LYS 129 HA LYS 129 13.566 20.549 4.672 1028 1HB LYS 129 2HB LYS 129 16.259 19.568 3.833 1029 2HB LYS 129 1HB LYS 129 15.340 20.961 3.187 1030 1HG LYS 129 2HG LYS 129 15.076 21.552 5.695 1031 2HG LYS 129 1HG LYS 129 16.412 20.437 5.932 1032 1HD LYS 129 2HD LYS 129 17.692 22.400 5.532 1033 2HD LYS 129 1HD LYS 129 17.563 21.804 3.922 1034 1HE LYS 129 2HE LYS 129 15.956 23.407 3.217 1035 2HE LYS 129 1HE LYS 129 15.282 23.538 4.810 1036 1HZ LYS 129 3HZ LYS 129 17.171 24.851 5.500 1037 2HZ LYS 129 2HZ LYS 129 17.879 24.676 3.951 1038 3HZ LYS 129 1HZ LYS 129 16.408 25.501 4.139 1039 H LYS 130 H LYS 130 13.016 17.519 3.792 1040 HA LYS 130 HA LYS 130 12.229 16.442 1.844 1041 1HB LYS 130 2HB LYS 130 10.411 16.639 2.398 1042 2HB LYS 130 1HB LYS 130 10.324 18.444 2.578 1043 1HG LYS 130 2HG LYS 130 10.609 17.115 -0.086 1044 2HG LYS 130 1HG LYS 130 9.171 16.689 0.714 1045 1HD LYS 130 2HD LYS 130 9.388 19.617 0.851 1046 2HD LYS 130 1HD LYS 130 9.676 19.122 -0.827 1047 1HE LYS 130 2HE LYS 130 7.380 17.612 0.191 1048 2HE LYS 130 1HE LYS 130 7.164 19.360 0.432 1049 1HZ LYS 130 1HZ LYS 130 7.869 19.534 -2.009 1050 2HZ LYS 130 3HZ LYS 130 7.520 17.899 -2.091 1051 3HZ LYS 130 2HZ LYS 130 6.320 18.990 -1.627 1052 H GLU 131 H GLU 131 12.289 16.263 -0.095 1053 HA GLU 131 HA GLU 131 12.801 18.559 -1.769 1054 1HB GLU 131 2HB GLU 131 14.796 17.831 -0.427 1055 2HB GLU 131 1HB GLU 131 14.986 16.639 -1.216 1056 1HG GLU 131 2HG GLU 131 15.184 19.425 -2.623 1057 2HG GLU 131 1HG GLU 131 16.514 18.606 -1.884 No H/Q in entry = 1057 Start of MODEL 14 1 1H ALA 1 1H ALA 1 3.101 8.694 1.719 2 2H ALA 1 3H ALA 1 2.818 8.066 3.200 3 3H ALA 1 2H ALA 1 1.801 9.233 2.577 4 HA ALA 1 HA ALA 1 3.288 10.958 2.916 5 1HB ALA 1 3HB ALA 1 2.436 9.178 4.913 6 2HB ALA 1 2HB ALA 1 4.197 9.258 5.214 7 3HB ALA 1 1HB ALA 1 3.266 10.762 5.235 8 H PHE 2 H PHE 2 5.752 10.444 4.626 9 HA PHE 2 HA PHE 2 8.090 10.502 3.983 10 1HB PHE 2 2HB PHE 2 7.202 7.663 3.670 11 2HB PHE 2 1HB PHE 2 8.855 8.286 3.222 12 HD1 PHE 2 HD1 PHE 2 9.567 10.128 5.240 13 HD2 PHE 2 HD2 PHE 2 7.431 6.480 5.649 14 HE1 PHE 2 HE1 PHE 2 10.355 9.990 7.486 15 HE2 PHE 2 HE2 PHE 2 8.227 6.241 8.021 16 HZ PHE 2 HZ PHE 2 9.700 8.017 8.931 17 H ASP 3 H ASP 3 7.345 7.992 1.631 18 HA ASP 3 HA ASP 3 9.013 8.068 -0.238 19 1HB ASP 3 2HB ASP 3 6.867 6.872 -0.427 20 2HB ASP 3 1HB ASP 3 6.193 8.410 -1.183 21 H GLY 4 H GLY 4 10.117 10.003 0.046 22 1HA GLY 4 1HA GLY 4 10.021 11.624 -2.374 23 2HA GLY 4 2HA GLY 4 9.376 12.440 -1.048 24 H THR 5 H THR 5 10.715 13.876 -0.936 25 HA THR 5 HA THR 5 13.550 13.675 0.085 26 HB THR 5 HB THR 5 13.990 15.621 -0.585 27 HG1 THR 5 1HG THR 5 11.190 15.717 -1.091 28 1HG2 THR 5 1HG2 THR 5 13.450 13.797 -2.528 29 2HG2 THR 5 3HG2 THR 5 12.092 14.820 -2.923 30 3HG2 THR 5 2HG2 THR 5 13.759 15.495 -3.057 31 H TRP 6 H TRP 6 14.078 14.818 1.563 32 HA TRP 6 HA TRP 6 12.233 15.928 3.607 33 1HB TRP 6 2HB TRP 6 13.841 13.277 3.479 34 2HB TRP 6 1HB TRP 6 13.430 14.169 4.926 35 HD1 TRP 6 HD1 TRP 6 12.206 11.320 3.157 36 HE1 TRP 6 HE1 TRP 6 9.741 10.908 2.927 37 HE3 TRP 6 HE3 TRP 6 10.369 15.999 4.710 38 HZ2 TRP 6 HZ2 TRP 6 7.372 12.304 3.248 39 HZ3 TRP 6 HZ3 TRP 6 8.001 16.233 4.634 40 HH2 TRP 6 HH2 TRP 6 6.500 14.438 3.920 41 H LYS 7 H LYS 7 13.915 16.483 5.571 42 HA LYS 7 HA LYS 7 16.721 16.515 4.625 43 1HB LYS 7 2HB LYS 7 15.513 19.074 5.106 44 2HB LYS 7 1HB LYS 7 16.926 18.695 4.242 45 1HG LYS 7 2HG LYS 7 15.651 17.552 2.492 46 2HG LYS 7 1HG LYS 7 14.154 17.762 3.070 47 1HD LYS 7 2HD LYS 7 14.177 19.387 1.466 48 2HD LYS 7 1HD LYS 7 15.105 20.478 2.497 49 1HE LYS 7 2HE LYS 7 17.092 20.034 1.449 50 2HE LYS 7 1HE LYS 7 16.544 18.541 0.657 51 1HZ LYS 7 3HZ LYS 7 14.830 20.367 -0.277 52 2HZ LYS 7 2HZ LYS 7 16.101 21.382 0.064 53 3HZ LYS 7 1HZ LYS 7 16.373 20.077 -0.971 54 H VAL 8 H VAL 8 16.951 18.926 6.346 55 HA VAL 8 HA VAL 8 15.729 18.141 8.848 56 HB VAL 8 HB VAL 8 18.637 17.711 8.612 57 1HG1 VAL 8 3HG1 VAL 8 17.189 19.065 10.752 58 2HG1 VAL 8 2HG1 VAL 8 17.659 17.517 11.397 59 3HG1 VAL 8 1HG1 VAL 8 18.883 18.688 10.783 60 1HG2 VAL 8 2HG2 VAL 8 16.351 15.998 9.593 61 2HG2 VAL 8 1HG2 VAL 8 17.557 15.617 8.371 62 3HG2 VAL 8 3HG2 VAL 8 18.055 15.642 10.040 63 H ASP 9 H ASP 9 14.842 19.981 7.915 64 HA ASP 9 HA ASP 9 15.764 22.506 7.288 65 1HB ASP 9 2HB ASP 9 13.474 21.283 7.695 66 2HB ASP 9 1HB ASP 9 13.604 21.944 9.256 67 H ARG 10 H ARG 10 15.021 21.054 10.413 68 HA ARG 10 HA ARG 10 16.639 23.256 11.725 69 1HB ARG 10 2HB ARG 10 14.661 23.017 13.495 70 2HB ARG 10 1HB ARG 10 14.670 24.180 12.211 71 1HG ARG 10 2HG ARG 10 13.368 21.647 11.312 72 2HG ARG 10 1HG ARG 10 12.651 22.338 12.727 73 1HD ARG 10 2HD ARG 10 12.746 24.649 11.424 74 2HD ARG 10 1HD ARG 10 12.703 23.530 9.995 75 HE ARG 10 HE ARG 10 10.484 23.138 10.547 76 1HH1 ARG 10 2HH1 ARG 10 12.220 24.307 13.348 77 2HH1 ARG 10 1HH1 ARG 10 10.860 24.398 14.424 78 1HH2 ARG 10 2HH2 ARG 10 8.601 23.277 12.012 79 2HH2 ARG 10 1HH2 ARG 10 8.820 23.814 13.676 80 H ASN 11 H ASN 11 17.199 22.614 14.048 81 HA ASN 11 HA ASN 11 17.004 19.684 14.367 82 1HB ASN 11 2HB ASN 11 19.618 20.173 15.104 83 2HB ASN 11 1HB ASN 11 19.060 19.226 13.742 84 1HD2 ASN 11 2HD2 ASN 11 20.688 22.975 13.209 85 2HD2 ASN 11 1HD2 ASN 11 20.249 22.408 14.798 86 H GLU 12 H GLU 12 16.570 19.141 16.378 87 HA GLU 12 HA GLU 12 17.214 21.073 18.549 88 1HB GLU 12 2HB GLU 12 14.580 20.035 18.037 89 2HB GLU 12 1HB GLU 12 15.193 19.176 19.420 90 1HG GLU 12 2HG GLU 12 15.207 22.203 18.978 91 2HG GLU 12 1HG GLU 12 13.947 21.429 19.853 92 H ASN 13 H ASN 13 18.094 20.141 20.369 93 HA ASN 13 HA ASN 13 19.533 18.716 21.577 94 1HB ASN 13 2HB ASN 13 17.042 17.332 20.911 95 2HB ASN 13 1HB ASN 13 18.287 16.231 21.427 96 1HD2 ASN 13 2HD2 ASN 13 16.148 18.115 24.227 97 2HD2 ASN 13 1HD2 ASN 13 15.677 17.682 22.618 98 H TYR 14 H TYR 14 19.823 18.814 18.387 99 HA TYR 14 HA TYR 14 20.584 16.184 17.635 100 1HB TYR 14 2HB TYR 14 19.361 17.828 16.485 101 2HB TYR 14 1HB TYR 14 20.852 18.651 16.084 102 HD1 TYR 14 HD2 TYR 14 22.685 17.132 15.102 103 HD2 TYR 14 HD1 TYR 14 18.558 16.125 15.136 104 HE1 TYR 14 HE2 TYR 14 23.107 15.500 13.184 105 HE2 TYR 14 HE1 TYR 14 18.988 14.493 13.214 106 HH TYR 14 HH TYR 14 22.036 13.483 12.299 107 H GLU 15 H GLU 15 22.488 19.125 18.558 108 HA GLU 15 HA GLU 15 25.034 18.011 17.654 109 1HB GLU 15 2HB GLU 15 24.529 20.416 17.929 110 2HB GLU 15 1HB GLU 15 24.723 20.145 19.688 111 1HG GLU 15 2HG GLU 15 27.060 19.303 19.313 112 2HG GLU 15 1HG GLU 15 26.834 19.282 17.582 113 H LYS 16 H LYS 16 23.612 18.321 21.037 114 HA LYS 16 HA LYS 16 25.812 16.858 22.208 115 1HB LYS 16 2HB LYS 16 24.323 18.589 23.300 116 2HB LYS 16 1HB LYS 16 23.253 17.220 23.606 117 1HG LYS 16 2HG LYS 16 25.210 15.993 24.643 118 2HG LYS 16 1HG LYS 16 26.214 17.450 24.374 119 1HD LYS 16 2HD LYS 16 23.605 17.875 25.836 120 2HD LYS 16 1HD LYS 16 24.744 17.007 26.715 121 1HE LYS 16 2HE LYS 16 25.382 19.687 25.386 122 2HE LYS 16 1HE LYS 16 24.902 19.501 27.100 123 1HZ LYS 16 1HZ LYS 16 27.185 18.019 26.103 124 2HZ LYS 16 3HZ LYS 16 27.339 19.642 26.436 125 3HZ LYS 16 2HZ LYS 16 26.835 18.588 27.677 126 H PHE 17 H PHE 17 22.857 15.888 20.464 127 HA PHE 17 HA PHE 17 22.364 13.326 21.675 128 1HB PHE 17 2HB PHE 17 20.688 14.054 20.463 129 2HB PHE 17 1HB PHE 17 21.735 14.822 19.239 130 HD1 PHE 17 HD2 PHE 17 20.742 11.452 20.560 131 HD2 PHE 17 HD1 PHE 17 21.892 13.699 17.062 132 HE1 PHE 17 HE2 PHE 17 20.362 9.485 19.193 133 HE2 PHE 17 HE1 PHE 17 21.510 11.736 15.669 134 HZ PHE 17 HZ PHE 17 20.756 9.643 16.695 135 H MET 18 H MET 18 24.565 14.502 19.146 136 HA MET 18 HA MET 18 25.410 11.887 18.135 137 1HB MET 18 2HB MET 18 26.026 14.816 17.765 138 2HB MET 18 1HB MET 18 27.240 13.588 17.238 139 1HG MET 18 2HG MET 18 25.509 12.470 15.837 140 2HG MET 18 1HG MET 18 24.270 13.484 16.524 141 1HE MET 18 3HE MET 18 27.805 14.394 15.577 142 2HE MET 18 2HE MET 18 27.370 13.457 14.105 143 3HE MET 18 1HE MET 18 27.709 15.237 14.028 144 H GLU 19 H GLU 19 26.826 14.655 19.755 145 HA GLU 19 HA GLU 19 29.346 13.953 20.318 146 1HB GLU 19 2HB GLU 19 27.863 15.986 21.183 147 2HB GLU 19 1HB GLU 19 27.536 14.967 22.547 148 1HG GLU 19 2HG GLU 19 29.656 14.855 23.375 149 2HG GLU 19 1HG GLU 19 30.456 15.227 21.867 150 H LYS 20 H LYS 20 26.539 13.240 22.406 151 HA LYS 20 HA LYS 20 28.162 12.204 24.443 152 1HB LYS 20 2HB LYS 20 25.190 11.938 24.147 153 2HB LYS 20 1HB LYS 20 26.204 11.580 25.582 154 1HG LYS 20 2HG LYS 20 26.984 13.779 25.824 155 2HG LYS 20 1HG LYS 20 26.276 14.295 24.219 156 1HD LYS 20 2HD LYS 20 25.011 14.706 26.515 157 2HD LYS 20 1HD LYS 20 24.122 14.277 25.056 158 1HE LYS 20 2HE LYS 20 23.905 11.989 25.796 159 2HE LYS 20 1HE LYS 20 25.054 12.295 27.184 160 1HZ LYS 20 3HZ LYS 20 22.458 13.635 26.664 161 2HZ LYS 20 2HZ LYS 20 22.696 12.382 27.799 162 3HZ LYS 20 1HZ LYS 20 23.446 13.897 27.971 163 H MET 21 H MET 21 26.852 10.548 21.580 164 HA MET 21 HA MET 21 27.233 7.907 22.884 165 1HB MET 21 2HB MET 21 26.603 6.904 20.722 166 2HB MET 21 1HB MET 21 25.380 7.717 21.800 167 1HG MET 21 2HG MET 21 25.173 9.589 20.501 168 2HG MET 21 1HG MET 21 26.490 9.163 19.358 169 1HE MET 21 1HE MET 21 26.033 9.067 17.519 170 2HE MET 21 3HE MET 21 25.076 7.743 16.726 171 3HE MET 21 2HE MET 21 24.376 9.354 16.956 172 H GLY 22 H GLY 22 29.426 10.006 21.790 173 1HA GLY 22 1HA GLY 22 31.707 8.908 21.819 174 2HA GLY 22 2HA GLY 22 31.191 7.855 20.542 175 H ILE 23 H ILE 23 29.904 10.990 20.128 176 HA ILE 23 HA ILE 23 31.671 11.514 17.814 177 HB ILE 23 HB ILE 23 29.114 12.542 18.931 178 1HG1 ILE 23 2HG1 ILE 23 28.213 11.912 16.899 179 2HG1 ILE 23 1HG1 ILE 23 29.808 11.663 16.105 180 1HG2 ILE 23 2HG2 ILE 23 30.500 14.620 18.322 181 2HG2 ILE 23 1HG2 ILE 23 30.786 13.947 16.726 182 3HG2 ILE 23 3HG2 ILE 23 29.157 14.423 17.230 183 1HD1 ILE 23 2HD1 ILE 23 28.686 9.954 18.387 184 2HD1 ILE 23 1HD1 ILE 23 28.849 9.475 16.691 185 3HD1 ILE 23 3HD1 ILE 23 30.298 9.818 17.632 186 H ASN 24 H ASN 24 33.316 13.138 17.887 187 HA ASN 24 HA ASN 24 33.534 14.647 20.470 188 1HB ASN 24 2HB ASN 24 35.583 13.370 19.032 189 2HB ASN 24 1HB ASN 24 35.977 15.004 19.605 190 1HD2 ASN 24 1HD2 ASN 24 35.041 12.018 22.335 191 2HD2 ASN 24 2HD2 ASN 24 34.419 11.967 20.721 192 H VAL 25 H VAL 25 34.965 16.736 20.159 193 HA VAL 25 HA VAL 25 33.360 18.439 18.514 194 HB VAL 25 HB VAL 25 34.108 20.235 19.097 195 1HG1 VAL 25 1HG1 VAL 25 33.767 18.149 21.240 196 2HG1 VAL 25 3HG1 VAL 25 33.995 19.882 21.675 197 3HG1 VAL 25 2HG1 VAL 25 32.606 19.371 20.719 198 1HG2 VAL 25 1HG2 VAL 25 36.649 18.820 19.666 199 2HG2 VAL 25 3HG2 VAL 25 36.372 20.565 19.799 200 3HG2 VAL 25 2HG2 VAL 25 36.095 19.517 21.206 201 H VAL 26 H VAL 26 36.374 16.797 17.643 202 HA VAL 26 HA VAL 26 37.417 18.663 15.780 203 HB VAL 26 HB VAL 26 37.701 15.732 15.566 204 1HG1 VAL 26 2HG1 VAL 26 38.857 18.072 14.245 205 2HG1 VAL 26 1HG1 VAL 26 40.076 17.406 15.341 206 3HG1 VAL 26 3HG1 VAL 26 39.392 16.379 14.097 207 1HG2 VAL 26 3HG2 VAL 26 38.561 17.890 17.588 208 2HG2 VAL 26 2HG2 VAL 26 38.290 16.168 17.886 209 3HG2 VAL 26 1HG2 VAL 26 39.802 16.741 17.108 210 H LYS 27 H LYS 27 34.745 16.534 15.905 211 HA LYS 27 HA LYS 27 34.080 16.324 13.062 212 1HB LYS 27 2HB LYS 27 32.454 15.781 15.488 213 2HB LYS 27 1HB LYS 27 32.114 15.265 13.842 214 1HG LYS 27 2HG LYS 27 34.525 14.348 15.524 215 2HG LYS 27 1HG LYS 27 33.160 13.373 15.347 216 1HD LYS 27 2HD LYS 27 33.603 13.090 12.890 217 2HD LYS 27 1HD LYS 27 34.919 14.217 12.982 218 1HE LYS 27 2HE LYS 27 36.154 12.663 14.495 219 2HE LYS 27 1HE LYS 27 34.821 11.513 14.479 220 1HZ LYS 27 1HZ LYS 27 36.037 12.381 11.939 221 2HZ LYS 27 3HZ LYS 27 36.829 11.280 12.916 222 3HZ LYS 27 2HZ LYS 27 35.309 10.884 12.350 223 H ARG 28 H ARG 28 33.534 18.540 15.728 224 HA ARG 28 HA ARG 28 31.087 19.646 15.212 225 1HB ARG 28 2HB ARG 28 32.493 20.176 17.101 226 2HB ARG 28 1HB ARG 28 33.556 21.145 15.982 227 1HG ARG 28 2HG ARG 28 32.260 22.846 16.791 228 2HG ARG 28 1HG ARG 28 31.171 22.347 15.495 229 1HD ARG 28 2HD ARG 28 29.696 22.458 17.146 230 2HD ARG 28 1HD ARG 28 30.083 20.811 17.202 231 HE ARG 28 HE ARG 28 30.778 20.990 19.377 232 1HH1 ARG 28 2HH2 ARG 28 30.913 24.129 17.902 233 2HH1 ARG 28 1HH2 ARG 28 31.279 25.029 19.343 234 1HH2 ARG 28 1HH1 ARG 28 31.259 22.017 21.329 235 2HH2 ARG 28 2HH1 ARG 28 31.471 23.763 21.349 236 H LYS 29 H LYS 29 33.969 19.833 13.348 237 HA LYS 29 HA LYS 29 33.828 22.203 11.876 238 1HB LYS 29 2HB LYS 29 35.041 19.589 11.445 239 2HB LYS 29 1HB LYS 29 34.860 20.666 10.053 240 1HG LYS 29 2HG LYS 29 36.991 21.329 11.142 241 2HG LYS 29 1HG LYS 29 35.749 22.548 11.482 242 1HD LYS 29 2HD LYS 29 35.839 20.389 13.521 243 2HD LYS 29 1HD LYS 29 37.257 21.413 13.476 244 1HE LYS 29 2HE LYS 29 35.139 23.292 13.287 245 2HE LYS 29 1HE LYS 29 34.574 22.077 14.424 246 1HZ LYS 29 3HZ LYS 29 36.857 22.290 15.497 247 2HZ LYS 29 2HZ LYS 29 36.972 23.743 14.657 248 3HZ LYS 29 1HZ LYS 29 35.697 23.469 15.729 249 H LEU 30 H LEU 30 32.515 18.922 11.055 250 HA LEU 30 HA LEU 30 30.401 20.362 9.479 251 1HB LEU 30 2HB LEU 30 30.589 18.359 7.824 252 2HB LEU 30 1HB LEU 30 31.581 19.803 7.648 253 HG LEU 30 HG LEU 30 32.728 17.643 7.213 254 1HD1 LEU 30 2HD1 LEU 30 33.593 19.973 8.434 255 2HD1 LEU 30 1HD1 LEU 30 34.337 18.722 9.455 256 3HD1 LEU 30 3HD1 LEU 30 34.639 18.721 7.698 257 1HD2 LEU 30 3HD2 LEU 30 32.091 17.077 10.139 258 2HD2 LEU 30 2HD2 LEU 30 32.140 15.971 8.785 259 3HD2 LEU 30 1HD2 LEU 30 33.658 16.577 9.513 260 H GLY 31 H GLY 31 30.907 18.713 12.038 261 1HA GLY 31 1HA GLY 31 28.895 16.537 11.783 262 2HA GLY 31 2HA GLY 31 29.961 16.859 13.155 263 H ALA 32 H ALA 32 26.981 16.597 12.770 264 HA ALA 32 HA ALA 32 25.112 17.353 13.845 265 1HB ALA 32 2HB ALA 32 26.829 17.645 15.764 266 2HB ALA 32 1HB ALA 32 26.680 19.398 15.379 267 3HB ALA 32 3HB ALA 32 25.225 18.497 15.805 268 H HIS 33 H HIS 33 26.735 19.115 11.572 269 HA HIS 33 HA HIS 33 24.987 21.529 11.771 270 1HB HIS 33 2HB HIS 33 27.521 21.723 11.356 271 2HB HIS 33 1HB HIS 33 27.326 20.742 9.873 272 HD1 HIS 33 HD1 HIS 33 25.209 23.831 11.071 273 HD2 HIS 33 HD2 HIS 33 27.730 22.413 7.944 274 HE1 HIS 33 HE1 HIS 33 25.241 25.589 9.234 275 HE2 HIS 33 HE2 HIS 33 26.724 24.767 7.383 276 H ASP 34 H ASP 34 23.727 19.078 11.325 277 HA ASP 34 HA ASP 34 23.422 18.200 8.658 278 1HB ASP 34 2HB ASP 34 22.806 17.174 10.798 279 2HB ASP 34 1HB ASP 34 21.332 18.101 10.698 280 H ASN 35 H ASN 35 22.373 18.917 6.956 281 HA ASN 35 HA ASN 35 19.891 20.421 6.986 282 1HB ASN 35 2HB ASN 35 21.997 21.926 7.712 283 2HB ASN 35 1HB ASN 35 22.308 22.007 5.983 284 1HD2 ASN 35 2HD2 ASN 35 20.302 25.024 6.377 285 2HD2 ASN 35 1HD2 ASN 35 21.932 24.375 6.451 286 H LEU 36 H LEU 36 19.457 18.611 5.433 287 HA LEU 36 HA LEU 36 20.237 19.603 2.816 288 1HB LEU 36 2HB LEU 36 22.141 18.958 2.570 289 2HB LEU 36 1HB LEU 36 22.161 18.108 4.072 290 HG LEU 36 HG LEU 36 21.611 15.969 2.887 291 1HD1 LEU 36 2HD1 LEU 36 20.312 17.621 0.839 292 2HD1 LEU 36 1HD1 LEU 36 21.657 16.839 0.062 293 3HD1 LEU 36 3HD1 LEU 36 20.523 15.832 0.915 294 1HD2 LEU 36 3HD2 LEU 36 23.554 17.992 1.733 295 2HD2 LEU 36 2HD2 LEU 36 24.012 16.491 2.502 296 3HD2 LEU 36 1HD2 LEU 36 23.401 16.477 0.816 297 H LYS 37 H LYS 37 19.997 16.059 3.606 298 HA LYS 37 HA LYS 37 17.285 16.037 2.905 299 1HB LYS 37 2HB LYS 37 18.779 16.354 0.596 300 2HB LYS 37 1HB LYS 37 18.688 14.649 0.648 301 1HG LYS 37 2HG LYS 37 16.130 14.959 0.985 302 2HG LYS 37 1HG LYS 37 16.378 16.675 0.615 303 1HD LYS 37 2HD LYS 37 16.941 14.151 -0.966 304 2HD LYS 37 1HD LYS 37 15.720 15.365 -1.333 305 1HE LYS 37 2HE LYS 37 18.766 15.917 -1.423 306 2HE LYS 37 1HE LYS 37 17.832 15.486 -2.874 307 1HZ LYS 37 3HZ LYS 37 17.118 17.898 -1.347 308 2HZ LYS 37 2HZ LYS 37 18.367 17.824 -2.486 309 3HZ LYS 37 1HZ LYS 37 16.800 17.461 -2.962 310 H LEU 38 H LEU 38 17.182 14.684 4.745 311 HA LEU 38 HA LEU 38 18.557 12.255 5.081 312 1HB LEU 38 2HB LEU 38 16.298 13.261 6.423 313 2HB LEU 38 1HB LEU 38 15.551 12.486 5.143 314 HG LEU 38 HG LEU 38 15.432 11.073 7.050 315 1HD1 LEU 38 3HD1 LEU 38 16.172 9.997 4.839 316 2HD1 LEU 38 2HD1 LEU 38 17.775 9.799 5.553 317 3HD1 LEU 38 1HD1 LEU 38 16.339 8.975 6.266 318 1HD2 LEU 38 2HD2 LEU 38 18.506 11.681 7.133 319 2HD2 LEU 38 1HD2 LEU 38 17.364 11.735 8.516 320 3HD2 LEU 38 3HD2 LEU 38 17.908 10.187 7.862 321 H THR 39 H THR 39 15.698 13.389 3.463 322 HA THR 39 HA THR 39 14.466 12.928 1.750 323 HB THR 39 HB THR 39 16.490 11.040 0.544 324 HG1 THR 39 1HG THR 39 17.813 12.913 0.173 325 1HG2 THR 39 1HG2 THR 39 14.415 11.927 -0.830 326 2HG2 THR 39 3HG2 THR 39 15.203 13.511 -0.776 327 3HG2 THR 39 2HG2 THR 39 16.016 12.217 -1.592 328 H ILE 40 H ILE 40 12.991 10.992 1.012 329 HA ILE 40 HA ILE 40 13.932 8.332 2.035 330 HB ILE 40 HB ILE 40 11.360 9.477 3.065 331 1HG1 ILE 40 2HG1 ILE 40 13.947 8.698 4.542 332 2HG1 ILE 40 1HG1 ILE 40 13.548 10.322 4.204 333 1HG2 ILE 40 1HG2 ILE 40 12.639 6.721 3.365 334 2HG2 ILE 40 3HG2 ILE 40 11.340 7.323 4.363 335 3HG2 ILE 40 2HG2 ILE 40 11.045 7.106 2.649 336 1HD1 ILE 40 2HD1 ILE 40 11.704 8.503 5.843 337 2HD1 ILE 40 1HD1 ILE 40 12.845 9.667 6.505 338 3HD1 ILE 40 3HD1 ILE 40 11.477 10.248 5.502 339 H THR 41 H THR 41 13.492 6.708 0.646 340 HA THR 41 HA THR 41 10.906 6.937 -0.929 341 HB THR 41 HB THR 41 13.399 6.047 -2.270 342 HG1 THR 41 1HG THR 41 13.837 8.003 -2.294 343 1HG2 THR 41 2HG2 THR 41 10.688 5.689 -2.768 344 2HG2 THR 41 1HG2 THR 41 10.994 7.202 -3.677 345 3HG2 THR 41 3HG2 THR 41 11.880 5.734 -4.077 346 H GLN 42 H GLN 42 9.764 5.267 -0.468 347 HA GLN 42 HA GLN 42 10.731 2.757 0.643 348 1HB GLN 42 2HB GLN 42 8.598 3.879 1.243 349 2HB GLN 42 1HB GLN 42 8.153 3.884 -0.476 350 1HG GLN 42 2HG GLN 42 7.489 1.711 -0.495 351 2HG GLN 42 1HG GLN 42 8.686 1.171 0.645 352 1HE2 GLN 42 2HE2 GLN 42 6.131 0.915 3.083 353 2HE2 GLN 42 1HE2 GLN 42 7.469 0.206 2.238 354 H GLU 43 H GLU 43 10.742 0.861 -0.244 355 HA GLU 43 HA GLU 43 10.228 0.557 -3.164 356 1HB GLU 43 2HB GLU 43 12.806 0.647 -1.990 357 2HB GLU 43 1HB GLU 43 12.441 -1.054 -2.245 358 1HG GLU 43 2HG GLU 43 11.618 0.483 -4.593 359 2HG GLU 43 1HG GLU 43 13.428 0.615 -4.289 360 H GLY 44 H GLY 44 10.991 -2.279 -3.034 361 1HA GLY 44 1HA GLY 44 8.688 -3.344 -1.617 362 2HA GLY 44 2HA GLY 44 10.008 -4.307 -2.366 363 H ASN 45 H ASN 45 8.922 -2.483 0.327 364 HA ASN 45 HA ASN 45 9.287 -2.697 2.599 365 1HB ASN 45 2HB ASN 45 11.543 -4.691 2.054 366 2HB ASN 45 1HB ASN 45 10.693 -4.367 3.579 367 1HD2 ASN 45 2HD2 ASN 45 8.604 -7.095 3.042 368 2HD2 ASN 45 1HD2 ASN 45 9.818 -6.310 3.997 369 H LYS 46 H LYS 46 12.554 -3.205 1.036 370 HA LYS 46 HA LYS 46 14.059 -1.513 2.632 371 1HB LYS 46 2HB LYS 46 15.469 -2.402 1.064 372 2HB LYS 46 1HB LYS 46 14.113 -2.546 -0.100 373 1HG LYS 46 2HG LYS 46 14.504 -0.138 -0.750 374 2HG LYS 46 1HG LYS 46 15.958 -0.148 0.272 375 1HD LYS 46 2HD LYS 46 15.306 -1.775 -2.158 376 2HD LYS 46 1HD LYS 46 16.587 -0.615 -2.022 377 1HE LYS 46 2HE LYS 46 17.850 -2.175 -0.435 378 2HE LYS 46 1HE LYS 46 16.438 -3.218 -0.369 379 1HZ LYS 46 1HZ LYS 46 18.041 -2.713 -2.798 380 2HZ LYS 46 3HZ LYS 46 18.172 -4.046 -1.730 381 3HZ LYS 46 2HZ LYS 46 16.775 -3.801 -2.641 382 H PHE 47 H PHE 47 15.097 0.470 1.895 383 HA PHE 47 HA PHE 47 13.504 2.054 0.013 384 1HB PHE 47 2HB PHE 47 13.863 4.054 1.778 385 2HB PHE 47 1HB PHE 47 12.292 3.220 1.630 386 HD1 PHE 47 HD1 PHE 47 15.410 3.636 3.765 387 HD2 PHE 47 HD2 PHE 47 11.483 1.852 3.455 388 HE1 PHE 47 HE1 PHE 47 15.483 3.130 6.161 389 HE2 PHE 47 HE2 PHE 47 11.602 1.365 5.845 390 HZ PHE 47 HZ PHE 47 13.505 1.964 7.202 391 H THR 48 H THR 48 14.486 3.469 -1.023 392 HA THR 48 HA THR 48 17.414 3.795 -0.832 393 HB THR 48 HB THR 48 15.539 5.062 -2.892 394 HG1 THR 48 1HG THR 48 15.600 2.679 -2.615 395 1HG2 THR 48 3HG2 THR 48 18.077 5.835 -2.540 396 2HG2 THR 48 2HG2 THR 48 18.514 4.219 -3.045 397 3HG2 THR 48 1HG2 THR 48 17.707 5.337 -4.188 398 H VAL 49 H VAL 49 17.259 4.791 1.143 399 HA VAL 49 HA VAL 49 15.892 7.453 1.288 400 HB VAL 49 HB VAL 49 17.577 5.823 3.183 401 1HG1 VAL 49 3HG1 VAL 49 17.273 8.616 3.173 402 2HG1 VAL 49 2HG1 VAL 49 16.092 8.065 4.372 403 3HG1 VAL 49 1HG1 VAL 49 17.785 7.641 4.598 404 1HG2 VAL 49 3HG2 VAL 49 14.982 5.342 2.669 405 2HG2 VAL 49 2HG2 VAL 49 15.452 5.428 4.393 406 3HG2 VAL 49 1HG2 VAL 49 14.646 6.789 3.645 407 H LYS 50 H LYS 50 17.294 9.345 1.130 408 HA LYS 50 HA LYS 50 19.976 8.762 -0.012 409 1HB LYS 50 2HB LYS 50 18.514 11.248 0.717 410 2HB LYS 50 1HB LYS 50 20.279 11.277 0.336 411 1HG LYS 50 2HG LYS 50 19.577 10.151 -1.871 412 2HG LYS 50 1HG LYS 50 17.866 10.579 -1.413 413 1HD LYS 50 2HD LYS 50 18.269 12.587 -2.293 414 2HD LYS 50 1HD LYS 50 19.584 12.863 -1.034 415 1HE LYS 50 2HE LYS 50 21.223 12.551 -2.504 416 2HE LYS 50 1HE LYS 50 20.459 11.120 -3.257 417 1HZ LYS 50 2HZ LYS 50 19.144 13.592 -3.821 418 2HZ LYS 50 1HZ LYS 50 20.689 13.378 -4.459 419 3HZ LYS 50 3HZ LYS 50 19.485 12.212 -4.768 420 H GLU 51 H GLU 51 19.604 11.324 2.347 421 HA GLU 51 HA GLU 51 20.173 11.472 4.455 422 1HB GLU 51 2HB GLU 51 20.301 8.661 4.535 423 2HB GLU 51 1HB GLU 51 21.977 8.945 4.195 424 1HG GLU 51 2HG GLU 51 22.419 10.143 6.113 425 2HG GLU 51 1HG GLU 51 20.714 10.394 6.478 426 H SER 52 H SER 52 21.074 12.847 2.745 427 HA SER 52 HA SER 52 24.088 12.767 2.958 428 1HB SER 52 2HB SER 52 23.802 14.734 1.362 429 2HB SER 52 1HB SER 52 23.606 13.042 0.833 430 HG SER 52 HG SER 52 21.695 13.501 0.257 431 H SER 53 H SER 53 24.914 15.094 3.720 432 HA SER 53 HA SER 53 22.804 16.611 5.041 433 1HB SER 53 2HB SER 53 23.950 16.823 7.183 434 2HB SER 53 1HB SER 53 22.995 15.375 6.888 435 HG SER 53 HG SER 53 25.267 14.600 6.129 436 H ASN 54 H ASN 54 26.391 16.380 5.668 437 HA ASN 54 HA ASN 54 26.737 18.882 4.049 438 1HB ASN 54 2HB ASN 54 26.093 19.098 6.675 439 2HB ASN 54 1HB ASN 54 27.868 19.070 6.721 440 1HD2 ASN 54 2HD2 ASN 54 25.891 22.169 4.663 441 2HD2 ASN 54 1HD2 ASN 54 25.192 20.596 4.850 442 H PHE 55 H PHE 55 27.715 15.856 4.324 443 HA PHE 55 HA PHE 55 30.514 16.679 3.974 444 1HB PHE 55 2HB PHE 55 30.985 14.544 5.616 445 2HB PHE 55 1HB PHE 55 31.046 16.260 6.164 446 HD1 PHE 55 HD2 PHE 55 28.849 17.310 7.208 447 HD2 PHE 55 HD1 PHE 55 29.467 13.083 6.573 448 HE1 PHE 55 HE2 PHE 55 27.076 16.799 8.802 449 HE2 PHE 55 HE1 PHE 55 27.727 12.565 8.138 450 HZ PHE 55 HZ PHE 55 26.476 14.451 9.305 451 H ARG 56 H ARG 56 28.477 13.840 4.699 452 HA ARG 56 HA ARG 56 29.795 12.523 2.386 453 1HB ARG 56 2HB ARG 56 29.498 11.639 5.117 454 2HB ARG 56 1HB ARG 56 28.535 10.579 4.109 455 1HG ARG 56 2HG ARG 56 30.464 9.960 2.736 456 2HG ARG 56 1HG ARG 56 31.433 11.252 3.395 457 1HD ARG 56 2HD ARG 56 30.449 8.717 4.827 458 2HD ARG 56 1HD ARG 56 32.084 9.114 4.356 459 HE ARG 56 HE ARG 56 30.622 10.136 6.713 460 1HH1 ARG 56 2HH2 ARG 56 33.309 10.573 4.512 461 2HH1 ARG 56 1HH2 ARG 56 34.292 11.508 5.576 462 1HH2 ARG 56 2HH1 ARG 56 31.831 11.363 8.185 463 2HH2 ARG 56 1HH1 ARG 56 33.412 11.978 7.737 464 H ASN 57 H ASN 57 28.361 13.398 1.102 465 HA ASN 57 HA ASN 57 25.480 13.141 1.409 466 1HB ASN 57 2HB ASN 57 26.867 13.460 -1.219 467 2HB ASN 57 1HB ASN 57 25.294 14.186 -0.685 468 1HD2 ASN 57 1HD2 ASN 57 26.644 17.181 0.243 469 2HD2 ASN 57 2HD2 ASN 57 25.283 16.185 -0.275 470 H ILE 58 H ILE 58 24.410 11.125 1.161 471 HA ILE 58 HA ILE 58 25.593 9.268 -0.793 472 HB ILE 58 HB ILE 58 26.582 9.191 1.695 473 1HG1 ILE 58 2HG1 ILE 58 26.185 6.425 0.630 474 2HG1 ILE 58 1HG1 ILE 58 26.859 7.631 -0.515 475 1HG2 ILE 58 2HG2 ILE 58 24.305 8.747 2.620 476 2HG2 ILE 58 1HG2 ILE 58 24.348 7.104 1.903 477 3HG2 ILE 58 3HG2 ILE 58 25.548 7.544 3.088 478 1HD1 ILE 58 1HD1 ILE 58 27.993 7.636 2.256 479 2HD1 ILE 58 3HD1 ILE 58 28.432 6.226 1.255 480 3HD1 ILE 58 2HD1 ILE 58 28.811 7.855 0.710 481 H ASP 59 H ASP 59 24.410 7.169 -0.460 482 HA ASP 59 HA ASP 59 21.546 7.698 0.240 483 1HB ASP 59 2HB ASP 59 21.146 5.775 -1.468 484 2HB ASP 59 1HB ASP 59 21.189 7.437 -1.984 485 H VAL 60 H VAL 60 21.055 6.229 1.873 486 HA VAL 60 HA VAL 60 22.614 3.667 1.946 487 HB VAL 60 HB VAL 60 21.012 4.890 4.254 488 1HG1 VAL 60 1HG1 VAL 60 21.360 2.419 4.316 489 2HG1 VAL 60 3HG1 VAL 60 23.098 2.638 4.202 490 3HG1 VAL 60 2HG1 VAL 60 22.248 3.296 5.592 491 1HG2 VAL 60 2HG2 VAL 60 23.290 6.142 3.384 492 2HG2 VAL 60 1HG2 VAL 60 23.091 5.742 5.124 493 3HG2 VAL 60 3HG2 VAL 60 24.111 4.757 4.053 494 H VAL 61 H VAL 61 21.569 1.945 1.272 495 HA VAL 61 HA VAL 61 18.609 2.025 1.486 496 HB VAL 61 HB VAL 61 18.742 2.418 -0.759 497 1HG1 VAL 61 1HG1 VAL 61 21.469 1.065 -0.568 498 2HG1 VAL 61 3HG1 VAL 61 20.805 1.566 -2.135 499 3HG1 VAL 61 2HG1 VAL 61 21.141 2.794 -0.937 500 1HG2 VAL 61 3HG2 VAL 61 19.387 -0.611 -0.732 501 2HG2 VAL 61 2HG2 VAL 61 17.768 0.129 -0.616 502 3HG2 VAL 61 1HG2 VAL 61 18.760 0.259 -2.110 503 H PHE 62 H PHE 62 17.686 0.311 2.318 504 HA PHE 62 HA PHE 62 18.872 -2.294 1.947 505 1HB PHE 62 2HB PHE 62 18.863 -2.783 4.425 506 2HB PHE 62 1HB PHE 62 20.287 -2.079 3.727 507 HD1 PHE 62 HD1 PHE 62 20.321 0.730 4.014 508 HD2 PHE 62 HD2 PHE 62 17.939 -1.967 6.283 509 HE1 PHE 62 HE1 PHE 62 20.094 2.417 5.742 510 HE2 PHE 62 HE2 PHE 62 17.669 -0.293 8.070 511 HZ PHE 62 HZ PHE 62 18.742 1.931 7.840 512 H GLU 63 H GLU 63 17.459 -3.845 2.481 513 HA GLU 63 HA GLU 63 14.810 -3.928 2.082 514 1HB GLU 63 2HB GLU 63 16.401 -5.496 4.087 515 2HB GLU 63 1HB GLU 63 14.626 -5.731 3.771 516 1HG GLU 63 2HG GLU 63 15.053 -6.063 1.358 517 2HG GLU 63 1HG GLU 63 16.759 -5.796 1.579 518 H LEU 64 H LEU 64 16.361 -2.751 5.138 519 HA LEU 64 HA LEU 64 15.407 -1.227 6.539 520 1HB LEU 64 2HB LEU 64 13.313 -0.636 6.856 521 2HB LEU 64 1HB LEU 64 13.335 -1.070 5.118 522 HG LEU 64 HG LEU 64 12.362 -3.419 6.270 523 1HD1 LEU 64 3HD1 LEU 64 12.249 -1.438 8.345 524 2HD1 LEU 64 2HD1 LEU 64 10.561 -1.585 7.735 525 3HD1 LEU 64 1HD1 LEU 64 11.395 -2.990 8.335 526 1HD2 LEU 64 1HD2 LEU 64 11.164 -0.920 5.073 527 2HD2 LEU 64 3HD2 LEU 64 11.077 -2.595 4.482 528 3HD2 LEU 64 2HD2 LEU 64 10.040 -2.069 5.820 529 H GLY 65 H GLY 65 16.187 -2.051 8.528 530 1HA GLY 65 1HA GLY 65 15.907 -3.208 10.574 531 2HA GLY 65 2HA GLY 65 14.776 -4.248 9.846 532 H VAL 66 H VAL 66 18.185 -3.387 9.043 533 HA VAL 66 HA VAL 66 18.956 -6.280 9.338 534 HB VAL 66 HB VAL 66 20.642 -5.782 7.436 535 1HG1 VAL 66 2HG1 VAL 66 17.953 -6.850 7.530 536 2HG1 VAL 66 1HG1 VAL 66 18.260 -6.074 5.935 537 3HG1 VAL 66 3HG1 VAL 66 19.296 -7.356 6.492 538 1HG2 VAL 66 1HG2 VAL 66 19.906 -3.275 7.282 539 2HG2 VAL 66 3HG2 VAL 66 19.762 -4.132 5.742 540 3HG2 VAL 66 2HG2 VAL 66 18.320 -3.853 6.738 541 H ASP 67 H ASP 67 20.432 -6.461 10.872 542 HA ASP 67 HA ASP 67 21.553 -4.196 12.175 543 1HB ASP 67 2HB ASP 67 23.031 -5.819 13.308 544 2HB ASP 67 1HB ASP 67 21.285 -5.502 13.650 545 H PHE 68 H PHE 68 23.366 -3.075 11.897 546 HA PHE 68 HA PHE 68 25.750 -4.173 10.450 547 1HB PHE 68 2HB PHE 68 24.823 -1.478 9.666 548 2HB PHE 68 1HB PHE 68 26.136 -2.490 9.034 549 HD1 PHE 68 HD2 PHE 68 25.052 -4.916 8.045 550 HD2 PHE 68 HD1 PHE 68 23.009 -1.160 8.378 551 HE1 PHE 68 HE2 PHE 68 23.492 -5.657 6.342 552 HE2 PHE 68 HE1 PHE 68 21.424 -1.844 6.678 553 HZ PHE 68 HZ PHE 68 21.652 -4.166 5.604 554 H ALA 69 H ALA 69 27.410 -3.893 11.750 555 HA ALA 69 HA ALA 69 27.415 -1.711 13.755 556 1HB ALA 69 3HB ALA 69 28.739 -4.001 13.921 557 2HB ALA 69 2HB ALA 69 29.764 -3.297 12.638 558 3HB ALA 69 1HB ALA 69 29.725 -2.504 14.214 559 H TYR 70 H TYR 70 26.773 -0.236 12.025 560 HA TYR 70 HA TYR 70 29.144 0.958 10.718 561 1HB TYR 70 2HB TYR 70 27.565 0.444 8.951 562 2HB TYR 70 1HB TYR 70 26.147 0.879 9.970 563 HD1 TYR 70 HD1 TYR 70 29.341 2.895 9.604 564 HD2 TYR 70 HD2 TYR 70 25.168 2.778 8.477 565 HE1 TYR 70 HE1 TYR 70 29.484 5.135 8.731 566 HE2 TYR 70 HE2 TYR 70 25.359 5.033 7.624 567 HH TYR 70 HH TYR 70 26.844 6.689 6.971 568 H SER 71 H SER 71 29.787 2.504 11.957 569 HA SER 71 HA SER 71 28.320 3.731 14.031 570 1HB SER 71 2HB SER 71 29.998 5.164 14.288 571 2HB SER 71 1HB SER 71 30.894 4.055 13.302 572 HG SER 71 HG SER 71 31.220 5.943 12.331 573 H LEU 72 H LEU 72 27.327 5.471 14.330 574 HA LEU 72 HA LEU 72 25.683 6.521 12.213 575 1HB LEU 72 2HB LEU 72 24.959 6.175 14.713 576 2HB LEU 72 1HB LEU 72 26.107 7.412 15.176 577 HG LEU 72 HG LEU 72 24.082 8.396 15.240 578 1HD1 LEU 72 2HD1 LEU 72 25.674 9.875 14.131 579 2HD1 LEU 72 1HD1 LEU 72 25.182 9.326 12.492 580 3HD1 LEU 72 3HD1 LEU 72 24.044 10.190 13.543 581 1HD2 LEU 72 1HD2 LEU 72 23.547 6.672 12.860 582 2HD2 LEU 72 3HD2 LEU 72 22.354 7.325 13.978 583 3HD2 LEU 72 2HD2 LEU 72 22.883 8.273 12.564 584 H ALA 73 H ALA 73 27.141 7.458 10.839 585 HA ALA 73 HA ALA 73 28.913 8.701 10.028 586 1HB ALA 73 1HB ALA 73 26.722 9.994 9.790 587 2HB ALA 73 3HB ALA 73 27.388 11.060 11.060 588 3HB ALA 73 2HB ALA 73 28.251 10.839 9.527 589 H ASP 74 H ASP 74 30.429 7.847 11.735 590 HA ASP 74 HA ASP 74 32.413 8.489 12.752 591 1HB ASP 74 2HB ASP 74 31.448 11.180 13.240 592 2HB ASP 74 1HB ASP 74 33.027 10.493 13.662 593 H GLY 75 H GLY 75 29.969 7.314 13.921 594 1HA GLY 75 1HA GLY 75 30.369 8.080 16.817 595 2HA GLY 75 2HA GLY 75 28.843 7.529 16.190 596 H THR 76 H THR 76 32.014 6.011 15.426 597 HA THR 76 HA THR 76 32.903 4.010 16.076 598 HB THR 76 HB THR 76 31.911 5.063 18.316 599 HG1 THR 76 1HG THR 76 33.549 2.970 17.610 600 1HG2 THR 76 1HG2 THR 76 30.696 2.222 18.087 601 2HG2 THR 76 3HG2 THR 76 31.403 2.755 19.637 602 3HG2 THR 76 2HG2 THR 76 30.066 3.642 18.903 603 H GLU 77 H GLU 77 29.298 3.700 16.732 604 HA GLU 77 HA GLU 77 29.101 1.701 14.534 605 1HB GLU 77 2HB GLU 77 29.375 1.003 17.415 606 2HB GLU 77 1HB GLU 77 28.130 0.142 16.628 607 1HG GLU 77 2HG GLU 77 29.520 -1.372 15.752 608 2HG GLU 77 1HG GLU 77 30.401 -0.116 14.854 609 H LEU 78 H LEU 78 26.894 0.993 14.131 610 HA LEU 78 HA LEU 78 24.908 1.691 16.185 611 1HB LEU 78 2HB LEU 78 25.303 3.307 13.795 612 2HB LEU 78 1HB LEU 78 23.915 2.316 13.370 613 HG LEU 78 HG LEU 78 24.202 4.475 15.463 614 1HD1 LEU 78 2HD1 LEU 78 23.104 4.702 13.190 615 2HD1 LEU 78 1HD1 LEU 78 21.809 3.612 13.749 616 3HD1 LEU 78 3HD1 LEU 78 22.052 5.175 14.555 617 1HD2 LEU 78 2HD2 LEU 78 22.729 1.826 15.656 618 2HD2 LEU 78 1HD2 LEU 78 23.022 2.951 17.031 619 3HD2 LEU 78 3HD2 LEU 78 21.686 3.226 15.943 620 H THR 79 H THR 79 25.858 -0.547 15.900 621 HA THR 79 HA THR 79 24.651 -2.305 13.880 622 HB THR 79 HB THR 79 26.708 -2.898 15.471 623 HG1 THR 79 1HG THR 79 26.574 -4.426 14.113 624 1HG2 THR 79 1HG2 THR 79 25.316 -3.339 17.573 625 2HG2 THR 79 3HG2 THR 79 24.484 -4.599 16.645 626 3HG2 THR 79 2HG2 THR 79 26.230 -4.739 16.901 627 H GLY 80 H GLY 80 22.665 -1.482 13.854 628 1HA GLY 80 1HA GLY 80 20.746 -2.648 15.784 629 2HA GLY 80 2HA GLY 80 20.698 -0.876 15.433 630 H THR 81 H THR 81 18.565 -2.267 14.814 631 HA THR 81 HA THR 81 18.772 -2.530 11.803 632 HB THR 81 HB THR 81 16.784 -4.010 12.091 633 HG1 THR 81 1HG THR 81 16.701 -4.485 14.647 634 1HG2 THR 81 3HG2 THR 81 19.104 -4.695 13.943 635 2HG2 THR 81 2HG2 THR 81 17.786 -5.842 13.564 636 3HG2 THR 81 1HG2 THR 81 18.862 -5.277 12.271 637 H TRP 82 H TRP 82 18.508 -0.361 11.565 638 HA TRP 82 HA TRP 82 16.210 1.071 12.591 639 1HB TRP 82 2HB TRP 82 16.993 1.446 9.673 640 2HB TRP 82 1HB TRP 82 16.268 2.598 10.782 641 HD1 TRP 82 HD1 TRP 82 19.790 1.033 11.521 642 HE1 TRP 82 HE1 TRP 82 21.411 3.031 11.604 643 HE3 TRP 82 HE3 TRP 82 16.649 4.753 10.117 644 HZ2 TRP 82 HZ2 TRP 82 21.345 5.928 11.133 645 HZ3 TRP 82 HZ3 TRP 82 17.356 7.061 9.960 646 HH2 TRP 82 HH2 TRP 82 19.816 7.617 10.485 647 H THR 83 H THR 83 14.224 1.036 11.945 648 HA THR 83 HA THR 83 13.283 -0.127 9.427 649 HB THR 83 HB THR 83 11.335 -1.249 10.604 650 HG1 THR 83 1HG THR 83 11.483 -0.764 12.633 651 1HG2 THR 83 2HG2 THR 83 14.157 -2.344 10.674 652 2HG2 THR 83 1HG2 THR 83 12.793 -3.364 11.262 653 3HG2 THR 83 3HG2 THR 83 12.884 -2.820 9.576 654 H MET 84 H MET 84 10.861 0.300 9.498 655 HA MET 84 HA MET 84 10.186 2.700 11.063 656 1HB MET 84 2HB MET 84 9.343 3.656 8.826 657 2HB MET 84 1HB MET 84 11.004 3.263 8.618 658 1HG MET 84 2HG MET 84 10.643 1.227 7.497 659 2HG MET 84 1HG MET 84 9.020 1.152 8.038 660 1HE MET 84 2HE MET 84 9.176 4.722 7.221 661 2HE MET 84 1HE MET 84 8.161 4.740 5.755 662 3HE MET 84 3HE MET 84 7.513 3.987 7.238 663 H GLU 85 H GLU 85 7.636 2.719 9.409 664 HA GLU 85 HA GLU 85 6.593 0.058 9.455 665 1HB GLU 85 2HB GLU 85 7.007 1.043 11.987 666 2HB GLU 85 1HB GLU 85 5.336 1.577 11.650 667 1HG GLU 85 2HG GLU 85 5.352 -1.115 10.734 668 2HG GLU 85 1HG GLU 85 6.478 -1.261 11.962 669 H GLY 86 H GLY 86 6.673 2.294 7.824 670 1HA GLY 86 1HA GLY 86 5.349 3.413 6.351 671 2HA GLY 86 2HA GLY 86 3.902 2.583 7.159 672 H ASN 87 H ASN 87 3.398 3.361 9.373 673 HA ASN 87 HA ASN 87 3.122 6.166 9.422 674 1HB ASN 87 2HB ASN 87 1.548 4.802 10.189 675 2HB ASN 87 1HB ASN 87 2.575 4.701 11.742 676 1HD2 ASN 87 2HD2 ASN 87 0.615 8.127 10.592 677 2HD2 ASN 87 1HD2 ASN 87 0.573 6.699 9.565 678 H LYS 88 H LYS 88 6.014 4.255 10.195 679 HA LYS 88 HA LYS 88 7.342 6.714 10.982 680 1HB LYS 88 2HB LYS 88 8.012 5.718 13.216 681 2HB LYS 88 1HB LYS 88 6.697 6.788 13.152 682 1HG LYS 88 2HG LYS 88 5.460 4.265 12.806 683 2HG LYS 88 1HG LYS 88 6.840 3.920 13.930 684 1HD LYS 88 2HD LYS 88 5.583 6.462 14.609 685 2HD LYS 88 1HD LYS 88 4.384 5.205 14.496 686 1HE LYS 88 2HE LYS 88 7.031 4.620 15.939 687 2HE LYS 88 1HE LYS 88 5.775 5.566 16.782 688 1HZ LYS 88 3HZ LYS 88 4.462 3.390 15.687 689 2HZ LYS 88 2HZ LYS 88 5.931 2.775 16.197 690 3HZ LYS 88 1HZ LYS 88 4.979 3.621 17.304 691 H LEU 89 H LEU 89 9.280 6.549 10.693 692 HA LEU 89 HA LEU 89 10.902 4.197 10.138 693 1HB LEU 89 2HB LEU 89 11.184 7.074 10.179 694 2HB LEU 89 1HB LEU 89 12.291 6.348 11.266 695 HG LEU 89 HG LEU 89 12.086 5.816 8.270 696 1HD1 LEU 89 2HD1 LEU 89 13.897 7.440 9.979 697 2HD1 LEU 89 1HD1 LEU 89 14.651 6.614 8.607 698 3HD1 LEU 89 3HD1 LEU 89 13.313 7.724 8.344 699 1HD2 LEU 89 3HD2 LEU 89 12.888 3.762 9.906 700 2HD2 LEU 89 2HD2 LEU 89 14.030 4.174 8.604 701 3HD2 LEU 89 1HD2 LEU 89 14.329 4.798 10.203 702 H VAL 90 H VAL 90 12.901 4.202 11.802 703 HA VAL 90 HA VAL 90 12.046 4.555 14.615 704 HB VAL 90 HB VAL 90 13.326 1.971 13.741 705 1HG1 VAL 90 1HG1 VAL 90 11.788 2.769 16.301 706 2HG1 VAL 90 3HG1 VAL 90 12.354 1.104 15.929 707 3HG1 VAL 90 2HG1 VAL 90 13.513 2.401 16.121 708 1HG2 VAL 90 1HG2 VAL 90 10.685 2.395 12.896 709 2HG2 VAL 90 3HG2 VAL 90 11.101 0.857 13.594 710 3HG2 VAL 90 2HG2 VAL 90 10.311 2.100 14.599 711 H GLY 91 H GLY 91 14.720 4.018 12.345 712 1HA GLY 91 1HA GLY 91 16.917 4.595 12.408 713 2HA GLY 91 2HA GLY 91 16.553 5.436 13.917 714 H LYS 92 H LYS 92 15.681 3.294 15.370 715 HA LYS 92 HA LYS 92 16.383 1.780 16.862 716 1HB LYS 92 2HB LYS 92 17.076 0.498 14.194 717 2HB LYS 92 1HB LYS 92 17.210 -0.370 15.741 718 1HG LYS 92 2HG LYS 92 14.715 1.164 15.085 719 2HG LYS 92 1HG LYS 92 14.874 -0.576 14.746 720 1HD LYS 92 2HD LYS 92 15.871 -0.390 17.309 721 2HD LYS 92 1HD LYS 92 14.501 0.761 17.245 722 1HE LYS 92 2HE LYS 92 13.523 -1.379 17.908 723 2HE LYS 92 1HE LYS 92 13.086 -1.104 16.210 724 1HZ LYS 92 3HZ LYS 92 15.507 -2.350 16.058 725 2HZ LYS 92 2HZ LYS 92 14.816 -3.039 17.433 726 3HZ LYS 92 1HZ LYS 92 13.986 -3.082 15.956 727 H PHE 93 H PHE 93 18.571 -0.018 16.903 728 HA PHE 93 HA PHE 93 21.064 1.513 16.798 729 1HB PHE 93 2HB PHE 93 20.805 1.449 19.533 730 2HB PHE 93 1HB PHE 93 20.352 2.816 18.655 731 HD1 PHE 93 HD1 PHE 93 19.487 -0.644 19.657 732 HD2 PHE 93 HD2 PHE 93 17.739 3.243 19.211 733 HE1 PHE 93 HE1 PHE 93 17.492 -1.518 20.686 734 HE2 PHE 93 HE2 PHE 93 15.655 2.283 20.326 735 HZ PHE 93 HZ PHE 93 15.553 -0.045 21.027 736 H LYS 94 H LYS 94 22.187 1.066 18.789 737 HA LYS 94 HA LYS 94 22.624 0.062 20.707 738 1HB LYS 94 2HB LYS 94 21.719 -2.438 19.263 739 2HB LYS 94 1HB LYS 94 23.302 -2.609 20.290 740 1HG LYS 94 2HG LYS 94 22.324 -1.308 22.033 741 2HG LYS 94 1HG LYS 94 20.922 -1.006 21.179 742 1HD LYS 94 2HD LYS 94 21.734 -3.821 22.082 743 2HD LYS 94 1HD LYS 94 20.841 -2.757 23.103 744 1HE LYS 94 2HE LYS 94 18.995 -2.613 21.332 745 2HE LYS 94 1HE LYS 94 19.847 -3.859 20.393 746 1HZ LYS 94 1HZ LYS 94 19.080 -4.183 23.235 747 2HZ LYS 94 3HZ LYS 94 18.023 -4.557 21.961 748 3HZ LYS 94 2HZ LYS 94 19.478 -5.394 22.173 749 H ARG 95 H ARG 95 24.148 1.347 20.135 750 HA ARG 95 HA ARG 95 26.030 0.979 18.013 751 1HB ARG 95 2HB ARG 95 27.008 1.945 20.663 752 2HB ARG 95 1HB ARG 95 27.278 2.614 18.980 753 1HG ARG 95 2HG ARG 95 25.321 3.223 21.116 754 2HG ARG 95 1HG ARG 95 26.325 4.276 20.215 755 1HD ARG 95 2HD ARG 95 23.706 3.060 19.132 756 2HD ARG 95 1HD ARG 95 24.101 4.663 19.568 757 HE ARG 95 HE ARG 95 24.837 3.390 17.030 758 1HH1 ARG 95 2HH1 ARG 95 25.975 5.834 19.314 759 2HH1 ARG 95 1HH1 ARG 95 26.949 6.684 18.169 760 1HH2 ARG 95 2HH2 ARG 95 26.125 4.593 15.501 761 2HH2 ARG 95 1HH2 ARG 95 27.001 6.006 16.100 762 H VAL 96 H VAL 96 28.364 1.144 19.597 763 HA VAL 96 HA VAL 96 28.710 -1.469 20.974 764 HB VAL 96 HB VAL 96 30.151 -0.149 18.688 765 1HG1 VAL 96 2HG1 VAL 96 31.530 -1.380 20.815 766 2HG1 VAL 96 1HG1 VAL 96 31.317 -2.656 19.642 767 3HG1 VAL 96 3HG1 VAL 96 32.093 -1.113 19.126 768 1HG2 VAL 96 3HG2 VAL 96 28.738 -2.863 19.203 769 2HG2 VAL 96 2HG2 VAL 96 28.312 -1.646 18.004 770 3HG2 VAL 96 1HG2 VAL 96 29.785 -2.659 17.791 771 H ASP 97 H ASP 97 29.688 2.088 20.577 772 HA ASP 97 HA ASP 97 31.825 2.098 22.415 773 1HB ASP 97 2HB ASP 97 31.304 3.936 21.187 774 2HB ASP 97 1HB ASP 97 29.701 4.060 21.838 775 H ASN 98 H ASN 98 28.512 1.437 22.857 776 HA ASN 98 HA ASN 98 28.888 0.505 25.527 777 1HB ASN 98 2HB ASN 98 29.148 2.621 26.134 778 2HB ASN 98 1HB ASN 98 27.834 3.143 25.162 779 1HD2 ASN 98 2HD2 ASN 98 27.037 1.164 28.776 780 2HD2 ASN 98 1HD2 ASN 98 28.515 0.907 27.877 781 H GLY 99 H GLY 99 26.618 1.284 22.978 782 1HA GLY 99 1HA GLY 99 24.688 0.078 22.283 783 2HA GLY 99 2HA GLY 99 24.513 -0.636 23.830 784 H LYS 100 H LYS 100 24.038 2.112 21.872 785 HA LYS 100 HA LYS 100 22.459 3.659 23.891 786 1HB LYS 100 2HB LYS 100 23.936 4.326 21.439 787 2HB LYS 100 1HB LYS 100 22.343 5.000 21.564 788 1HG LYS 100 2HG LYS 100 24.081 6.481 22.700 789 2HG LYS 100 1HG LYS 100 23.059 5.734 24.024 790 1HD LYS 100 2HD LYS 100 24.792 4.299 24.629 791 2HD LYS 100 1HD LYS 100 25.255 4.001 23.054 792 1HE LYS 100 2HE LYS 100 26.081 6.757 23.868 793 2HE LYS 100 1HE LYS 100 26.666 5.522 24.969 794 1HZ LYS 100 3HZ LYS 100 27.111 4.376 22.603 795 2HZ LYS 100 2HZ LYS 100 27.510 6.004 22.334 796 3HZ LYS 100 1HZ LYS 100 28.227 5.129 23.571 797 H GLU 101 H GLU 101 20.624 4.829 22.587 798 HA GLU 101 HA GLU 101 19.531 3.035 20.559 799 1HB GLU 101 2HB GLU 101 18.192 3.373 23.212 800 2HB GLU 101 1HB GLU 101 17.259 2.903 21.885 801 1HG GLU 101 2HG GLU 101 18.016 0.706 22.501 802 2HG GLU 101 1HG GLU 101 19.382 1.159 21.607 803 H LEU 102 H LEU 102 20.373 4.855 19.601 804 HA LEU 102 HA LEU 102 19.597 7.512 19.486 805 1HB LEU 102 2HB LEU 102 19.995 5.492 17.234 806 2HB LEU 102 1HB LEU 102 19.731 7.204 16.984 807 HG LEU 102 HG LEU 102 21.847 7.078 18.885 808 1HD1 LEU 102 3HD1 LEU 102 22.001 4.563 18.104 809 2HD1 LEU 102 2HD1 LEU 102 22.547 5.258 16.548 810 3HD1 LEU 102 1HD1 LEU 102 23.495 5.566 18.002 811 1HD2 LEU 102 2HD2 LEU 102 21.285 7.933 16.053 812 2HD2 LEU 102 1HD2 LEU 102 22.456 8.658 17.146 813 3HD2 LEU 102 3HD2 LEU 102 22.880 7.222 16.141 814 H ILE 103 H ILE 103 18.276 4.767 17.524 815 HA ILE 103 HA ILE 103 16.324 4.407 16.708 816 HB ILE 103 HB ILE 103 15.823 6.044 19.222 817 1HG1 ILE 103 2HG1 ILE 103 16.048 3.896 19.598 818 2HG1 ILE 103 1HG1 ILE 103 14.327 4.108 19.781 819 1HG2 ILE 103 1HG2 ILE 103 13.582 5.801 17.171 820 2HG2 ILE 103 3HG2 ILE 103 13.316 5.674 18.880 821 3HG2 ILE 103 2HG2 ILE 103 13.992 7.194 18.233 822 1HD1 ILE 103 1HD1 ILE 103 14.912 3.231 17.083 823 2HD1 ILE 103 3HD1 ILE 103 15.302 2.046 18.384 824 3HD1 ILE 103 2HD1 ILE 103 13.690 2.686 18.290 825 H ALA 104 H ALA 104 17.804 6.326 15.488 826 HA ALA 104 HA ALA 104 16.705 8.912 14.825 827 1HB ALA 104 1HB ALA 104 18.936 7.626 13.920 828 2HB ALA 104 3HB ALA 104 17.856 7.001 12.677 829 3HB ALA 104 2HB ALA 104 18.098 8.749 12.806 830 H VAL 105 H VAL 105 14.434 8.512 14.962 831 HA VAL 105 HA VAL 105 13.135 6.869 12.910 832 HB VAL 105 HB VAL 105 11.805 8.869 14.678 833 1HG1 VAL 105 1HG1 VAL 105 10.792 6.928 12.779 834 2HG1 VAL 105 3HG1 VAL 105 10.161 6.530 14.421 835 3HG1 VAL 105 2HG1 VAL 105 9.887 8.096 13.712 836 1HG2 VAL 105 3HG2 VAL 105 13.020 6.255 15.393 837 2HG2 VAL 105 2HG2 VAL 105 12.470 7.545 16.524 838 3HG2 VAL 105 1HG2 VAL 105 11.339 6.364 15.927 839 H ARG 106 H ARG 106 11.057 9.362 13.016 840 HA ARG 106 HA ARG 106 11.566 11.567 11.570 841 1HB ARG 106 2HB ARG 106 12.431 9.395 10.000 842 2HB ARG 106 1HB ARG 106 10.924 9.964 9.260 843 1HG ARG 106 2HG ARG 106 11.558 11.878 8.667 844 2HG ARG 106 1HG ARG 106 12.449 12.286 10.046 845 1HD ARG 106 2HD ARG 106 13.655 10.235 8.113 846 2HD ARG 106 1HD ARG 106 13.860 12.022 7.803 847 HE ARG 106 HE ARG 106 14.788 12.026 10.157 848 1HH1 ARG 106 2HH2 ARG 106 15.151 9.030 8.169 849 2HH1 ARG 106 1HH2 ARG 106 16.541 8.559 9.050 850 1HH2 ARG 106 2HH1 ARG 106 16.542 11.334 11.193 851 2HH2 ARG 106 1HH1 ARG 106 17.343 9.881 10.764 852 H GLU 107 H GLU 107 10.150 8.426 11.798 853 HA GLU 107 HA GLU 107 8.064 7.659 12.147 854 1HB GLU 107 2HB GLU 107 8.214 10.479 12.947 855 2HB GLU 107 1HB GLU 107 6.505 9.915 12.743 856 1HG GLU 107 2HG GLU 107 8.121 7.974 14.375 857 2HG GLU 107 1HG GLU 107 8.212 9.452 15.037 858 H ILE 108 H ILE 108 7.509 11.024 11.285 859 HA ILE 108 HA ILE 108 6.726 12.199 9.702 860 HB ILE 108 HB ILE 108 8.045 10.728 8.303 861 1HG1 ILE 108 2HG1 ILE 108 5.526 12.190 7.536 862 2HG1 ILE 108 1HG1 ILE 108 7.153 12.884 7.890 863 1HG2 ILE 108 3HG2 ILE 108 5.319 9.308 7.864 864 2HG2 ILE 108 2HG2 ILE 108 6.102 9.876 6.417 865 3HG2 ILE 108 1HG2 ILE 108 6.946 8.775 7.573 866 1HD1 ILE 108 2HD1 ILE 108 7.546 11.059 5.724 867 2HD1 ILE 108 1HD1 ILE 108 6.230 12.184 5.230 868 3HD1 ILE 108 3HD1 ILE 108 7.743 12.850 5.759 869 H SER 109 H SER 109 4.998 12.933 10.425 870 HA SER 109 HA SER 109 2.484 11.971 9.313 871 1HB SER 109 2HB SER 109 2.713 10.427 11.250 872 2HB SER 109 1HB SER 109 3.207 11.774 12.265 873 HG SER 109 HG SER 109 0.652 10.930 11.722 874 H GLY 110 H GLY 110 1.395 13.539 8.804 875 1HA GLY 110 1HA GLY 110 0.888 15.752 8.386 876 2HA GLY 110 2HA GLY 110 0.221 15.537 10.074 877 H ASN 111 H ASN 111 2.815 17.028 8.119 878 HA ASN 111 HA ASN 111 4.283 18.716 8.785 879 1HB ASN 111 2HB ASN 111 2.385 19.087 10.971 880 2HB ASN 111 1HB ASN 111 4.071 19.488 11.282 881 1HD2 ASN 111 1HD2 ASN 111 1.784 21.569 8.486 882 2HD2 ASN 111 2HD2 ASN 111 1.316 19.994 9.020 883 H GLU 112 H GLU 112 6.282 17.462 8.895 884 HA GLU 112 HA GLU 112 7.091 16.375 11.498 885 1HB GLU 112 2HB GLU 112 6.737 13.929 10.360 886 2HB GLU 112 1HB GLU 112 5.371 14.648 11.160 887 1HG GLU 112 2HG GLU 112 5.361 13.601 8.726 888 2HG GLU 112 1HG GLU 112 4.217 14.719 9.302 889 H LEU 113 H LEU 113 8.287 14.236 11.000 890 HA LEU 113 HA LEU 113 9.628 12.851 9.534 891 1HB LEU 113 2HB LEU 113 10.707 15.558 8.695 892 2HB LEU 113 1HB LEU 113 11.693 14.043 8.827 893 HG LEU 113 HG LEU 113 9.717 14.689 6.668 894 1HD1 LEU 113 3HD1 LEU 113 12.585 14.274 7.158 895 2HD1 LEU 113 2HD1 LEU 113 12.041 13.008 6.080 896 3HD1 LEU 113 1HD1 LEU 113 11.754 14.748 5.707 897 1HD2 LEU 113 2HD2 LEU 113 9.182 12.262 7.788 898 2HD2 LEU 113 1HD2 LEU 113 9.486 12.431 6.052 899 3HD2 LEU 113 3HD2 LEU 113 10.763 11.824 7.043 900 H ILE 114 H ILE 114 9.211 12.874 11.775 901 HA ILE 114 HA ILE 114 10.670 14.561 13.605 902 HB ILE 114 HB ILE 114 9.461 12.106 14.763 903 1HG1 ILE 114 2HG1 ILE 114 7.936 12.391 12.523 904 2HG1 ILE 114 1HG1 ILE 114 7.444 11.798 14.026 905 1HG2 ILE 114 3HG2 ILE 114 9.981 14.274 15.866 906 2HG2 ILE 114 2HG2 ILE 114 8.304 14.673 15.342 907 3HG2 ILE 114 1HG2 ILE 114 8.666 13.219 16.326 908 1HD1 ILE 114 2HD1 ILE 114 7.170 14.848 13.575 909 2HD1 ILE 114 1HD1 ILE 114 6.331 13.784 12.488 910 3HD1 ILE 114 3HD1 ILE 114 5.916 13.697 14.170 911 H GLN 115 H GLN 115 12.609 14.069 12.872 912 HA GLN 115 HA GLN 115 14.008 11.711 12.464 913 1HB GLN 115 2HB GLN 115 14.681 14.391 13.829 914 2HB GLN 115 1HB GLN 115 15.890 13.180 13.270 915 1HG GLN 115 2HG GLN 115 13.980 13.657 11.121 916 2HG GLN 115 1HG GLN 115 14.595 15.235 11.661 917 1HE2 GLN 115 2HE2 GLN 115 18.171 14.206 11.400 918 2HE2 GLN 115 1HE2 GLN 115 17.142 14.861 12.601 919 H THR 116 H THR 116 12.693 12.899 15.371 920 HA THR 116 HA THR 116 13.132 12.190 17.646 921 HB THR 116 HB THR 116 11.541 10.171 16.040 922 HG1 THR 116 1HG THR 116 10.025 11.672 17.330 923 1HG2 THR 116 1HG2 THR 116 12.318 10.414 18.956 924 2HG2 THR 116 3HG2 THR 116 10.533 10.547 18.762 925 3HG2 THR 116 2HG2 THR 116 11.427 9.115 18.206 926 H TYR 117 H TYR 117 15.578 11.768 17.201 927 HA TYR 117 HA TYR 117 15.764 8.825 17.679 928 1HB TYR 117 2HB TYR 117 18.402 10.095 17.949 929 2HB TYR 117 1HB TYR 117 17.999 8.803 17.056 930 HD1 TYR 117 HD2 TYR 117 16.865 12.250 15.948 931 HD2 TYR 117 HD1 TYR 117 19.476 8.976 15.317 932 HE1 TYR 117 HE2 TYR 117 17.677 13.259 13.795 933 HE2 TYR 117 HE1 TYR 117 20.249 9.909 13.244 934 HH TYR 117 HH TYR 117 19.994 11.558 11.727 935 H THR 118 H THR 118 15.550 8.274 19.496 936 HA THR 118 HA THR 118 16.251 9.998 21.802 937 HB THR 118 HB THR 118 14.697 7.514 22.280 938 HG1 THR 118 1HG THR 118 13.586 8.221 20.744 939 1HG2 THR 118 2HG2 THR 118 15.736 9.810 23.677 940 2HG2 THR 118 1HG2 THR 118 14.186 10.403 23.147 941 3HG2 THR 118 3HG2 THR 118 14.243 8.968 24.237 942 H TYR 119 H TYR 119 18.718 9.007 21.121 943 HA TYR 119 HA TYR 119 19.417 6.341 21.876 944 1HB TYR 119 2HB TYR 119 21.574 7.127 22.286 945 2HB TYR 119 1HB TYR 119 20.988 7.792 20.760 946 HD1 TYR 119 HD1 TYR 119 19.336 9.896 23.004 947 HD2 TYR 119 HD2 TYR 119 23.375 8.860 21.939 948 HE1 TYR 119 HE1 TYR 119 20.197 12.057 23.903 949 HE2 TYR 119 HE2 TYR 119 24.220 10.955 22.808 950 HH TYR 119 HH TYR 119 22.089 13.545 23.766 951 H GLU 120 H GLU 120 18.117 8.828 23.996 952 HA GLU 120 HA GLU 120 18.650 6.963 26.169 953 1HB GLU 120 2HB GLU 120 20.699 7.283 26.577 954 2HB GLU 120 1HB GLU 120 20.838 8.464 25.273 955 1HG GLU 120 2HG GLU 120 21.492 9.917 26.810 956 2HG GLU 120 1HG GLU 120 19.786 10.195 26.941 957 H GLY 121 H GLY 121 16.575 8.959 25.114 958 1HA GLY 121 1HA GLY 121 14.765 9.585 26.603 959 2HA GLY 121 2HA GLY 121 15.814 9.967 27.815 960 H VAL 122 H VAL 122 16.873 10.943 24.699 961 HA VAL 122 HA VAL 122 16.299 13.811 25.450 962 HB VAL 122 HB VAL 122 18.361 12.642 23.532 963 1HG1 VAL 122 2HG1 VAL 122 17.486 15.332 23.872 964 2HG1 VAL 122 1HG1 VAL 122 19.050 15.221 24.653 965 3HG1 VAL 122 3HG1 VAL 122 18.878 14.774 22.934 966 1HG2 VAL 122 3HG2 VAL 122 18.476 13.653 26.483 967 2HG2 VAL 122 2HG2 VAL 122 18.832 12.000 25.941 968 3HG2 VAL 122 1HG2 VAL 122 19.945 13.356 25.533 969 H GLU 123 H GLU 123 16.880 11.851 22.525 970 HA GLU 123 HA GLU 123 15.777 11.775 20.389 971 1HB GLU 123 2HB GLU 123 13.569 12.340 22.025 972 2HB GLU 123 1HB GLU 123 13.805 13.930 21.432 973 1HG GLU 123 2HG GLU 123 13.750 13.243 19.077 974 2HG GLU 123 1HG GLU 123 13.745 11.656 19.479 975 H ALA 124 H ALA 124 16.498 12.741 18.763 976 HA ALA 124 HA ALA 124 16.664 15.698 18.968 977 1HB ALA 124 3HB ALA 124 18.686 13.773 17.742 978 2HB ALA 124 2HB ALA 124 18.719 15.483 17.260 979 3HB ALA 124 1HB ALA 124 18.997 14.977 18.984 980 H LYS 125 H LYS 125 15.405 16.692 17.769 981 HA LYS 125 HA LYS 125 15.109 15.803 14.995 982 1HB LYS 125 2HB LYS 125 12.386 16.168 15.831 983 2HB LYS 125 1HB LYS 125 13.170 14.858 15.066 984 1HG LYS 125 2HG LYS 125 12.435 13.913 17.326 985 2HG LYS 125 1HG LYS 125 14.108 14.087 17.405 986 1HD LYS 125 2HD LYS 125 12.765 14.979 19.323 987 2HD LYS 125 1HD LYS 125 13.924 16.096 18.789 988 1HE LYS 125 2HE LYS 125 11.705 17.061 17.365 989 2HE LYS 125 1HE LYS 125 10.898 16.220 18.723 990 1HZ LYS 125 2HZ LYS 125 12.767 17.560 19.992 991 2HZ LYS 125 1HZ LYS 125 12.517 18.571 18.677 992 3HZ LYS 125 3HZ LYS 125 11.209 18.173 19.662 993 H ARG 126 H ARG 126 13.021 17.333 14.251 994 HA ARG 126 HA ARG 126 12.463 19.901 15.256 995 1HB ARG 126 2HB ARG 126 14.991 19.710 13.817 996 2HB ARG 126 1HB ARG 126 13.862 21.004 13.305 997 1HG ARG 126 2HG ARG 126 14.739 20.669 16.257 998 2HG ARG 126 1HG ARG 126 15.422 21.900 15.124 999 1HD ARG 126 2HD ARG 126 13.178 22.680 14.691 1000 2HD ARG 126 1HD ARG 126 12.557 21.621 16.053 1001 HE ARG 126 HE ARG 126 14.058 22.610 17.536 1002 1HH1 ARG 126 2HH2 ARG 126 13.539 24.598 14.681 1003 2HH1 ARG 126 1HH2 ARG 126 14.022 26.071 15.472 1004 1HH2 ARG 126 1HH1 ARG 126 14.683 24.492 18.573 1005 2HH2 ARG 126 2HH1 ARG 126 14.655 25.969 17.633 1006 H ILE 127 H ILE 127 13.762 18.248 12.402 1007 HA ILE 127 HA ILE 127 12.215 17.038 10.961 1008 HB ILE 127 HB ILE 127 10.582 19.593 11.161 1009 1HG1 ILE 127 2HG1 ILE 127 8.865 18.020 11.619 1010 2HG1 ILE 127 1HG1 ILE 127 9.832 16.668 11.008 1011 1HG2 ILE 127 3HG2 ILE 127 10.284 17.772 8.801 1012 2HG2 ILE 127 2HG2 ILE 127 9.086 18.899 9.354 1013 3HG2 ILE 127 1HG2 ILE 127 10.658 19.523 8.918 1014 1HD1 ILE 127 2HD1 ILE 127 11.424 16.920 13.021 1015 2HD1 ILE 127 1HD1 ILE 127 10.148 17.910 13.821 1016 3HD1 ILE 127 3HD1 ILE 127 9.860 16.256 13.390 1017 H PHE 128 H PHE 128 11.900 16.993 8.960 1018 HA PHE 128 HA PHE 128 13.885 17.454 7.160 1019 1HB PHE 128 2HB PHE 128 12.213 16.841 5.519 1020 2HB PHE 128 1HB PHE 128 11.464 16.176 6.917 1021 HD1 PHE 128 HD1 PHE 128 11.309 19.697 5.267 1022 HD2 PHE 128 HD2 PHE 128 9.296 16.411 6.990 1023 HE1 PHE 128 HE1 PHE 128 9.190 20.755 4.856 1024 HE2 PHE 128 HE2 PHE 128 7.118 17.441 6.592 1025 HZ PHE 128 HZ PHE 128 7.058 19.708 5.480 1026 H LYS 129 H LYS 129 13.955 18.368 5.377 1027 HA LYS 129 HA LYS 129 13.039 21.130 5.275 1028 1HB LYS 129 2HB LYS 129 15.437 20.992 5.893 1029 2HB LYS 129 1HB LYS 129 15.768 20.690 4.169 1030 1HG LYS 129 2HG LYS 129 13.792 22.693 4.255 1031 2HG LYS 129 1HG LYS 129 14.732 23.044 5.681 1032 1HD LYS 129 2HD LYS 129 16.088 22.575 3.011 1033 2HD LYS 129 1HD LYS 129 15.567 24.206 3.446 1034 1HE LYS 129 2HE LYS 129 16.966 23.232 5.733 1035 2HE LYS 129 1HE LYS 129 17.813 22.485 4.392 1036 1HZ LYS 129 3HZ LYS 129 18.007 24.837 3.472 1037 2HZ LYS 129 2HZ LYS 129 17.608 25.363 5.031 1038 3HZ LYS 129 1HZ LYS 129 18.982 24.414 4.783 1039 H LYS 130 H LYS 130 12.444 18.450 4.392 1040 HA LYS 130 HA LYS 130 12.180 17.312 2.331 1041 1HB LYS 130 2HB LYS 130 10.290 17.050 2.904 1042 2HB LYS 130 1HB LYS 130 9.922 18.792 3.286 1043 1HG LYS 130 2HG LYS 130 10.073 17.785 0.409 1044 2HG LYS 130 1HG LYS 130 8.861 17.097 1.361 1045 1HD LYS 130 2HD LYS 130 8.859 20.047 1.765 1046 2HD LYS 130 1HD LYS 130 8.884 19.704 0.081 1047 1HE LYS 130 2HE LYS 130 6.772 18.161 1.715 1048 2HE LYS 130 1HE LYS 130 6.579 19.912 1.508 1049 1HZ LYS 130 3HZ LYS 130 6.993 18.087 -0.755 1050 2HZ LYS 130 2HZ LYS 130 5.459 18.412 -0.071 1051 3HZ LYS 130 1HZ LYS 130 6.347 19.661 -0.759 1052 H GLU 131 H GLU 131 11.844 17.155 0.372 1053 HA GLU 131 HA GLU 131 12.041 19.601 -1.219 1054 1HB GLU 131 2HB GLU 131 14.159 18.612 -0.288 1055 2HB GLU 131 1HB GLU 131 13.975 17.428 -1.096 1056 1HG GLU 131 2HG GLU 131 15.720 18.849 -2.242 1057 2HG GLU 131 1HG GLU 131 14.423 18.569 -3.353 No H/Q in entry = 1057 Start of MODEL 15 1 1H ALA 1 1H ALA 1 4.601 6.467 4.379 2 2H ALA 1 3H ALA 1 3.002 6.535 4.832 3 3H ALA 1 2H ALA 1 3.374 6.528 3.244 4 HA ALA 1 HA ALA 1 2.902 8.686 3.467 5 1HB ALA 1 2HB ALA 1 2.861 7.917 6.129 6 2HB ALA 1 1HB ALA 1 4.356 8.836 6.136 7 3HB ALA 1 3HB ALA 1 2.900 9.652 5.585 8 H PHE 2 H PHE 2 6.030 8.363 5.485 9 HA PHE 2 HA PHE 2 7.578 10.173 4.070 10 1HB PHE 2 2HB PHE 2 9.377 8.182 4.500 11 2HB PHE 2 1HB PHE 2 9.086 9.665 5.474 12 HD1 PHE 2 HD2 PHE 2 7.270 6.367 4.994 13 HD2 PHE 2 HD1 PHE 2 9.117 9.062 7.757 14 HE1 PHE 2 HE2 PHE 2 6.614 4.866 6.833 15 HE2 PHE 2 HE1 PHE 2 8.506 7.638 9.574 16 HZ PHE 2 HZ PHE 2 7.243 5.496 9.206 17 H ASP 3 H ASP 3 7.523 10.215 1.877 18 HA ASP 3 HA ASP 3 8.833 8.079 0.277 19 1HB ASP 3 2HB ASP 3 7.407 8.422 -1.593 20 2HB ASP 3 1HB ASP 3 6.405 7.863 -0.159 21 H GLY 4 H GLY 4 9.813 9.146 -1.818 22 1HA GLY 4 1HA GLY 4 10.595 11.261 -2.811 23 2HA GLY 4 2HA GLY 4 9.482 12.016 -1.790 24 H THR 5 H THR 5 11.582 13.266 -1.982 25 HA THR 5 HA THR 5 13.806 12.917 -0.039 26 HB THR 5 HB THR 5 14.794 14.501 -0.800 27 HG1 THR 5 1HG THR 5 14.071 16.041 0.279 28 1HG2 THR 5 3HG2 THR 5 12.320 14.715 -2.670 29 2HG2 THR 5 2HG2 THR 5 13.849 15.614 -3.005 30 3HG2 THR 5 1HG2 THR 5 13.789 13.865 -2.994 31 H TRP 6 H TRP 6 14.201 14.454 1.337 32 HA TRP 6 HA TRP 6 12.283 15.367 3.359 33 1HB TRP 6 2HB TRP 6 13.713 12.644 3.165 34 2HB TRP 6 1HB TRP 6 13.377 13.512 4.638 35 HD1 TRP 6 HD1 TRP 6 11.925 10.740 3.025 36 HE1 TRP 6 HE1 TRP 6 9.421 10.439 2.982 37 HE3 TRP 6 HE3 TRP 6 10.621 15.500 4.303 38 HZ2 TRP 6 HZ2 TRP 6 7.155 12.057 3.445 39 HZ3 TRP 6 HZ3 TRP 6 8.298 16.032 4.474 40 HH2 TRP 6 HH2 TRP 6 6.527 14.317 4.040 41 H LYS 7 H LYS 7 13.909 15.977 5.391 42 HA LYS 7 HA LYS 7 16.711 15.664 4.551 43 1HB LYS 7 2HB LYS 7 15.701 18.388 4.918 44 2HB LYS 7 1HB LYS 7 17.159 17.932 4.194 45 1HG LYS 7 2HG LYS 7 15.966 16.733 2.377 46 2HG LYS 7 1HG LYS 7 14.438 17.070 2.838 47 1HD LYS 7 2HD LYS 7 15.199 18.219 0.871 48 2HD LYS 7 1HD LYS 7 14.915 19.501 1.950 49 1HE LYS 7 2HE LYS 7 17.517 19.480 2.475 50 2HE LYS 7 1HE LYS 7 17.664 18.235 1.259 51 1HZ LYS 7 2HZ LYS 7 16.343 20.682 0.443 52 2HZ LYS 7 1HZ LYS 7 17.994 20.785 0.781 53 3HZ LYS 7 3HZ LYS 7 17.437 19.692 -0.384 54 H VAL 8 H VAL 8 17.042 18.174 6.274 55 HA VAL 8 HA VAL 8 15.823 17.479 8.859 56 HB VAL 8 HB VAL 8 18.736 17.198 8.528 57 1HG1 VAL 8 3HG1 VAL 8 16.955 18.051 10.765 58 2HG1 VAL 8 2HG1 VAL 8 17.947 16.701 11.219 59 3HG1 VAL 8 1HG1 VAL 8 18.709 18.254 10.714 60 1HG2 VAL 8 2HG2 VAL 8 16.497 15.312 9.270 61 2HG2 VAL 8 1HG2 VAL 8 17.635 15.191 7.958 62 3HG2 VAL 8 3HG2 VAL 8 18.210 14.902 9.639 63 H ASP 9 H ASP 9 15.098 19.403 7.550 64 HA ASP 9 HA ASP 9 16.093 21.870 7.097 65 1HB ASP 9 2HB ASP 9 13.712 20.679 7.653 66 2HB ASP 9 1HB ASP 9 13.947 21.528 9.103 67 H ARG 10 H ARG 10 15.319 20.573 10.267 68 HA ARG 10 HA ARG 10 17.022 22.811 11.402 69 1HB ARG 10 2HB ARG 10 15.043 22.403 13.205 70 2HB ARG 10 1HB ARG 10 15.197 23.775 12.112 71 1HG ARG 10 2HG ARG 10 13.702 21.364 11.033 72 2HG ARG 10 1HG ARG 10 12.873 22.339 12.196 73 1HD ARG 10 2HD ARG 10 14.081 23.520 9.629 74 2HD ARG 10 1HD ARG 10 12.384 23.048 9.889 75 HE ARG 10 HE ARG 10 12.940 24.689 12.013 76 1HH1 ARG 10 2HH1 ARG 10 13.406 25.010 8.610 77 2HH1 ARG 10 1HH1 ARG 10 13.269 26.748 8.484 78 1HH2 ARG 10 1HH2 ARG 10 12.736 26.944 12.059 79 2HH2 ARG 10 2HH2 ARG 10 12.859 27.883 10.614 80 H ASN 11 H ASN 11 17.321 22.258 13.887 81 HA ASN 11 HA ASN 11 17.348 19.343 14.165 82 1HB ASN 11 2HB ASN 11 19.803 19.254 14.465 83 2HB ASN 11 1HB ASN 11 19.328 19.692 12.841 84 1HD2 ASN 11 1HD2 ASN 11 20.748 22.943 12.897 85 2HD2 ASN 11 2HD2 ASN 11 19.606 21.876 12.140 86 H GLU 12 H GLU 12 16.605 18.992 15.971 87 HA GLU 12 HA GLU 12 17.356 20.779 18.276 88 1HB GLU 12 2HB GLU 12 14.868 19.887 17.646 89 2HB GLU 12 1HB GLU 12 15.350 18.719 18.897 90 1HG GLU 12 2HG GLU 12 15.130 21.767 19.144 91 2HG GLU 12 1HG GLU 12 14.029 20.604 19.795 92 H ASN 13 H ASN 13 18.534 19.993 19.937 93 HA ASN 13 HA ASN 13 19.864 18.409 21.220 94 1HB ASN 13 2HB ASN 13 17.338 17.146 20.598 95 2HB ASN 13 1HB ASN 13 18.618 15.969 20.564 96 1HD2 ASN 13 1HD2 ASN 13 17.162 16.834 24.052 97 2HD2 ASN 13 2HD2 ASN 13 16.364 16.912 22.514 98 H TYR 14 H TYR 14 19.921 18.535 17.796 99 HA TYR 14 HA TYR 14 20.836 16.006 17.012 100 1HB TYR 14 2HB TYR 14 19.713 17.728 15.787 101 2HB TYR 14 1HB TYR 14 21.177 18.618 15.663 102 HD1 TYR 14 HD1 TYR 14 23.073 16.197 15.157 103 HD2 TYR 14 HD2 TYR 14 19.183 17.095 13.633 104 HE1 TYR 14 HE1 TYR 14 23.594 14.826 13.178 105 HE2 TYR 14 HE2 TYR 14 19.656 15.755 11.675 106 HH TYR 14 HH TYR 14 22.182 13.561 11.450 107 H GLU 15 H GLU 15 23.026 18.899 17.414 108 HA GLU 15 HA GLU 15 25.369 17.476 16.811 109 1HB GLU 15 2HB GLU 15 24.984 19.952 18.351 110 2HB GLU 15 1HB GLU 15 26.595 19.195 18.149 111 1HG GLU 15 2HG GLU 15 24.729 19.691 15.785 112 2HG GLU 15 1HG GLU 15 25.852 20.962 16.360 113 H LYS 16 H LYS 16 23.815 17.840 20.070 114 HA LYS 16 HA LYS 16 26.065 16.569 21.445 115 1HB LYS 16 2HB LYS 16 24.243 18.244 22.295 116 2HB LYS 16 1HB LYS 16 23.567 16.687 22.867 117 1HG LYS 16 2HG LYS 16 26.429 16.623 23.319 118 2HG LYS 16 1HG LYS 16 25.771 18.191 23.927 119 1HD LYS 16 2HD LYS 16 24.013 15.935 24.629 120 2HD LYS 16 1HD LYS 16 25.616 15.511 25.043 121 1HE LYS 16 2HE LYS 16 23.812 17.094 26.574 122 2HE LYS 16 1HE LYS 16 25.459 16.552 26.948 123 1HZ LYS 16 3HZ LYS 16 26.278 18.605 25.826 124 2HZ LYS 16 2HZ LYS 16 24.661 19.046 25.540 125 3HZ LYS 16 1HZ LYS 16 25.261 18.961 27.104 126 H PHE 17 H PHE 17 22.957 15.530 20.017 127 HA PHE 17 HA PHE 17 22.577 13.070 21.315 128 1HB PHE 17 2HB PHE 17 20.691 13.457 20.042 129 2HB PHE 17 1HB PHE 17 21.650 14.451 18.924 130 HD1 PHE 17 HD1 PHE 17 20.773 10.844 19.521 131 HD2 PHE 17 HD2 PHE 17 22.315 13.809 16.835 132 HE1 PHE 17 HE1 PHE 17 20.682 9.227 17.712 133 HE2 PHE 17 HE2 PHE 17 22.248 12.188 15.022 134 HZ PHE 17 HZ PHE 17 21.452 9.915 15.382 135 H MET 18 H MET 18 24.611 14.058 18.741 136 HA MET 18 HA MET 18 25.480 11.454 17.709 137 1HB MET 18 2HB MET 18 25.912 14.342 17.327 138 2HB MET 18 1HB MET 18 27.351 13.214 17.018 139 1HG MET 18 2HG MET 18 25.719 11.888 15.525 140 2HG MET 18 1HG MET 18 24.534 13.128 15.794 141 1HE MET 18 2HE MET 18 25.310 15.494 15.774 142 2HE MET 18 1HE MET 18 26.938 15.975 15.197 143 3HE MET 18 3HE MET 18 25.502 16.147 14.111 144 H GLU 19 H GLU 19 26.867 14.224 19.354 145 HA GLU 19 HA GLU 19 29.379 13.541 19.937 146 1HB GLU 19 2HB GLU 19 27.516 15.414 20.776 147 2HB GLU 19 1HB GLU 19 27.891 14.649 22.289 148 1HG GLU 19 2HG GLU 19 29.524 16.191 22.472 149 2HG GLU 19 1HG GLU 19 30.408 14.928 21.671 150 H LYS 20 H LYS 20 26.528 12.775 22.008 151 HA LYS 20 HA LYS 20 28.229 11.735 24.046 152 1HB LYS 20 2HB LYS 20 25.287 11.389 23.735 153 2HB LYS 20 1HB LYS 20 26.260 11.036 25.201 154 1HG LYS 20 2HG LYS 20 27.016 13.414 25.255 155 2HG LYS 20 1HG LYS 20 25.856 13.831 23.940 156 1HD LYS 20 2HD LYS 20 25.363 13.966 26.569 157 2HD LYS 20 1HD LYS 20 24.086 13.751 25.368 158 1HE LYS 20 2HE LYS 20 24.073 11.327 25.815 159 2HE LYS 20 1HE LYS 20 25.456 11.584 26.984 160 1HZ LYS 20 3HZ LYS 20 24.006 13.094 28.161 161 2HZ LYS 20 2HZ LYS 20 22.733 12.762 27.087 162 3HZ LYS 20 1HZ LYS 20 23.313 11.542 28.109 163 H MET 21 H MET 21 26.864 10.126 21.264 164 HA MET 21 HA MET 21 27.262 7.511 22.511 165 1HB MET 21 2HB MET 21 26.308 6.490 20.603 166 2HB MET 21 1HB MET 21 25.412 8.040 20.909 167 1HG MET 21 2HG MET 21 25.881 8.391 18.658 168 2HG MET 21 1HG MET 21 27.418 8.880 19.303 169 1HE MET 21 2HE MET 21 29.244 8.493 18.905 170 2HE MET 21 1HE MET 21 30.029 6.897 18.669 171 3HE MET 21 3HE MET 21 29.530 7.868 17.239 172 H GLY 22 H GLY 22 29.367 9.720 21.348 173 1HA GLY 22 1HA GLY 22 31.789 8.744 21.575 174 2HA GLY 22 2HA GLY 22 31.292 7.573 20.422 175 H ILE 23 H ILE 23 29.653 10.442 19.476 176 HA ILE 23 HA ILE 23 31.266 10.707 17.172 177 HB ILE 23 HB ILE 23 29.152 12.190 18.445 178 1HG1 ILE 23 2HG1 ILE 23 28.523 12.265 15.849 179 2HG1 ILE 23 1HG1 ILE 23 29.854 11.096 15.753 180 1HG2 ILE 23 3HG2 ILE 23 30.730 14.110 17.980 181 2HG2 ILE 23 2HG2 ILE 23 30.812 13.613 16.275 182 3HG2 ILE 23 1HG2 ILE 23 29.301 14.223 16.962 183 1HD1 ILE 23 3HD1 ILE 23 28.517 9.889 17.827 184 2HD1 ILE 23 2HD1 ILE 23 27.181 10.765 17.082 185 3HD1 ILE 23 1HD1 ILE 23 28.080 9.541 16.164 186 H ASN 24 H ASN 24 33.351 11.247 17.172 187 HA ASN 24 HA ASN 24 34.957 12.129 19.173 188 1HB ASN 24 2HB ASN 24 35.378 12.210 16.336 189 2HB ASN 24 1HB ASN 24 36.534 12.901 17.479 190 1HD2 ASN 24 1HD2 ASN 24 35.642 8.974 18.383 191 2HD2 ASN 24 2HD2 ASN 24 34.444 10.207 18.383 192 H VAL 25 H VAL 25 36.136 14.012 19.544 193 HA VAL 25 HA VAL 25 34.602 16.315 19.958 194 HB VAL 25 HB VAL 25 36.084 17.438 20.923 195 1HG1 VAL 25 2HG1 VAL 25 34.840 15.640 22.053 196 2HG1 VAL 25 1HG1 VAL 25 36.139 14.460 21.753 197 3HG1 VAL 25 3HG1 VAL 25 36.374 15.864 22.851 198 1HG2 VAL 25 3HG2 VAL 25 38.198 16.610 19.605 199 2HG2 VAL 25 2HG2 VAL 25 38.443 16.592 21.350 200 3HG2 VAL 25 1HG2 VAL 25 38.087 15.080 20.472 201 H VAL 26 H VAL 26 36.370 15.531 17.044 202 HA VAL 26 HA VAL 26 37.133 18.118 16.174 203 HB VAL 26 HB VAL 26 37.050 17.350 13.934 204 1HG1 VAL 26 1HG1 VAL 26 38.933 17.107 15.675 205 2HG1 VAL 26 3HG1 VAL 26 38.501 15.394 15.829 206 3HG1 VAL 26 2HG1 VAL 26 39.071 16.071 14.260 207 1HG2 VAL 26 2HG2 VAL 26 35.273 15.358 15.005 208 2HG2 VAL 26 1HG2 VAL 26 36.180 15.190 13.467 209 3HG2 VAL 26 3HG2 VAL 26 36.815 14.550 15.025 210 H LYS 27 H LYS 27 34.068 16.501 16.378 211 HA LYS 27 HA LYS 27 32.662 18.372 14.611 212 1HB LYS 27 2HB LYS 27 32.098 15.879 15.884 213 2HB LYS 27 1HB LYS 27 30.781 17.025 16.083 214 1HG LYS 27 2HG LYS 27 30.387 17.247 13.707 215 2HG LYS 27 1HG LYS 27 31.942 16.785 13.279 216 1HD LYS 27 2HD LYS 27 31.412 14.405 13.942 217 2HD LYS 27 1HD LYS 27 29.781 14.857 14.281 218 1HE LYS 27 2HE LYS 27 30.831 14.209 11.650 219 2HE LYS 27 1HE LYS 27 29.193 14.676 12.068 220 1HZ LYS 27 1HZ LYS 27 31.365 16.535 11.437 221 2HZ LYS 27 3HZ LYS 27 30.115 16.049 10.402 222 3HZ LYS 27 2HZ LYS 27 29.780 16.974 11.770 223 H ARG 28 H ARG 28 33.743 18.168 17.865 224 HA ARG 28 HA ARG 28 31.898 19.573 19.354 225 1HB ARG 28 2HB ARG 28 33.877 18.505 20.273 226 2HB ARG 28 1HB ARG 28 34.836 19.931 19.762 227 1HG ARG 28 2HG ARG 28 34.158 20.169 22.125 228 2HG ARG 28 1HG ARG 28 33.488 21.416 21.068 229 1HD ARG 28 2HD ARG 28 31.269 20.328 21.123 230 2HD ARG 28 1HD ARG 28 31.891 18.917 21.707 231 HE ARG 28 HE ARG 28 32.458 20.691 23.790 232 1HH1 ARG 28 1HH2 ARG 28 29.555 19.864 21.969 233 2HH1 ARG 28 2HH2 ARG 28 28.525 20.249 23.328 234 1HH2 ARG 28 1HH1 ARG 28 31.113 21.158 25.476 235 2HH2 ARG 28 2HH1 ARG 28 29.376 20.976 25.315 236 H LYS 29 H LYS 29 34.164 20.651 16.932 237 HA LYS 29 HA LYS 29 33.939 23.466 17.725 238 1HB LYS 29 2HB LYS 29 35.184 23.894 15.633 239 2HB LYS 29 1HB LYS 29 36.005 23.318 17.150 240 1HG LYS 29 2HG LYS 29 35.091 21.234 15.283 241 2HG LYS 29 1HG LYS 29 36.225 22.285 14.487 242 1HD LYS 29 2HD LYS 29 37.178 21.653 17.164 243 2HD LYS 29 1HD LYS 29 36.895 20.156 16.254 244 1HE LYS 29 2HE LYS 29 38.543 20.779 14.627 245 2HE LYS 29 1HE LYS 29 38.486 22.496 15.011 246 1HZ LYS 29 2HZ LYS 29 39.504 22.037 17.142 247 2HZ LYS 29 1HZ LYS 29 39.689 20.421 16.719 248 3HZ LYS 29 3HZ LYS 29 40.444 21.576 15.785 249 H LEU 30 H LEU 30 33.230 21.419 14.826 250 HA LEU 30 HA LEU 30 31.816 23.392 13.356 251 1HB LEU 30 2HB LEU 30 32.579 20.710 13.043 252 2HB LEU 30 1HB LEU 30 30.823 20.708 12.874 253 HG LEU 30 HG LEU 30 31.937 20.928 10.688 254 1HD1 LEU 30 3HD1 LEU 30 29.783 22.271 11.144 255 2HD1 LEU 30 2HD1 LEU 30 30.842 23.690 11.422 256 3HD1 LEU 30 1HD1 LEU 30 30.770 22.973 9.835 257 1HD2 LEU 30 3HD2 LEU 30 33.372 23.375 11.823 258 2HD2 LEU 30 2HD2 LEU 30 34.121 21.859 11.366 259 3HD2 LEU 30 1HD2 LEU 30 33.391 22.880 10.120 260 H GLY 31 H GLY 31 29.834 24.257 13.700 261 1HA GLY 31 1HA GLY 31 28.192 23.140 15.841 262 2HA GLY 31 2HA GLY 31 27.957 24.684 14.992 263 H ALA 32 H ALA 32 25.673 23.923 15.053 264 HA ALA 32 HA ALA 32 24.771 21.566 13.576 265 1HB ALA 32 3HB ALA 32 23.661 23.694 15.196 266 2HB ALA 32 2HB ALA 32 22.568 22.922 14.013 267 3HB ALA 32 1HB ALA 32 23.457 21.892 15.195 268 H HIS 33 H HIS 33 26.366 22.966 11.645 269 HA HIS 33 HA HIS 33 24.501 24.701 10.147 270 1HB HIS 33 2HB HIS 33 27.184 24.890 10.519 271 2HB HIS 33 1HB HIS 33 27.195 23.866 9.065 272 HD1 HIS 33 HD1 HIS 33 26.714 25.098 6.812 273 HD2 HIS 33 HD2 HIS 33 25.942 27.375 10.256 274 HE1 HIS 33 HE1 HIS 33 26.265 27.407 6.013 275 HE2 HIS 33 HE2 HIS 33 25.780 28.852 8.134 276 H ASP 34 H ASP 34 24.120 21.686 10.459 277 HA ASP 34 HA ASP 34 24.721 20.657 7.780 278 1HB ASP 34 2HB ASP 34 23.463 19.244 10.047 279 2HB ASP 34 1HB ASP 34 24.010 18.557 8.499 280 H ASN 35 H ASN 35 23.466 19.528 6.495 281 HA ASN 35 HA ASN 35 20.536 19.896 6.398 282 1HB ASN 35 2HB ASN 35 22.503 21.586 5.086 283 2HB ASN 35 1HB ASN 35 21.737 20.623 3.827 284 1HD2 ASN 35 1HD2 ASN 35 19.482 23.557 5.604 285 2HD2 ASN 35 2HD2 ASN 35 21.013 23.156 6.254 286 H LEU 36 H LEU 36 20.485 17.545 6.490 287 HA LEU 36 HA LEU 36 21.963 16.260 4.234 288 1HB LEU 36 2HB LEU 36 22.841 15.594 6.213 289 2HB LEU 36 1HB LEU 36 21.280 15.496 7.005 290 HG LEU 36 HG LEU 36 21.666 13.627 4.739 291 1HD1 LEU 36 3HD1 LEU 36 23.656 13.774 6.796 292 2HD1 LEU 36 2HD1 LEU 36 22.622 12.452 7.311 293 3HD1 LEU 36 1HD1 LEU 36 23.418 12.361 5.734 294 1HD2 LEU 36 2HD2 LEU 36 20.214 13.923 7.442 295 2HD2 LEU 36 1HD2 LEU 36 19.569 13.160 5.951 296 3HD2 LEU 36 3HD2 LEU 36 20.674 12.281 7.028 297 H LYS 37 H LYS 37 20.693 15.514 2.705 298 HA LYS 37 HA LYS 37 17.835 15.627 3.039 299 1HB LYS 37 2HB LYS 37 19.297 15.779 0.814 300 2HB LYS 37 1HB LYS 37 19.150 14.081 0.785 301 1HG LYS 37 2HG LYS 37 16.545 14.394 1.041 302 2HG LYS 37 1HG LYS 37 16.931 16.179 0.862 303 1HD LYS 37 2HD LYS 37 16.882 13.958 -1.096 304 2HD LYS 37 1HD LYS 37 16.282 15.607 -1.182 305 1HE LYS 37 2HE LYS 37 18.615 16.502 -1.535 306 2HE LYS 37 1HE LYS 37 19.302 14.906 -1.220 307 1HZ LYS 37 2HZ LYS 37 17.378 14.906 -3.348 308 2HZ LYS 37 1HZ LYS 37 18.730 15.909 -3.601 309 3HZ LYS 37 3HZ LYS 37 18.926 14.277 -3.287 310 H LEU 38 H LEU 38 17.436 13.953 4.937 311 HA LEU 38 HA LEU 38 18.411 11.397 5.120 312 1HB LEU 38 2HB LEU 38 16.011 12.582 6.175 313 2HB LEU 38 1HB LEU 38 15.379 11.514 5.034 314 HG LEU 38 HG LEU 38 15.356 10.421 7.005 315 1HD1 LEU 38 2HD1 LEU 38 16.110 9.167 4.926 316 2HD1 LEU 38 1HD1 LEU 38 17.788 9.259 5.468 317 3HD1 LEU 38 3HD1 LEU 38 16.566 8.336 6.406 318 1HD2 LEU 38 3HD2 LEU 38 17.684 11.917 7.595 319 2HD2 LEU 38 2HD2 LEU 38 17.131 10.604 8.607 320 3HD2 LEU 38 1HD2 LEU 38 18.398 10.289 7.366 321 H THR 39 H THR 39 15.691 12.681 3.329 322 HA THR 39 HA THR 39 14.599 12.266 1.550 323 HB THR 39 HB THR 39 16.710 10.431 0.303 324 HG1 THR 39 1HG THR 39 17.241 12.666 1.359 325 1HG2 THR 39 1HG2 THR 39 14.471 11.213 -0.950 326 2HG2 THR 39 3HG2 THR 39 15.384 12.756 -1.090 327 3HG2 THR 39 2HG2 THR 39 16.006 11.331 -1.846 328 H ILE 40 H ILE 40 12.896 10.537 1.181 329 HA ILE 40 HA ILE 40 13.793 7.767 1.917 330 HB ILE 40 HB ILE 40 11.259 8.942 2.999 331 1HG1 ILE 40 2HG1 ILE 40 13.989 8.367 4.375 332 2HG1 ILE 40 1HG1 ILE 40 13.436 9.924 4.060 333 1HG2 ILE 40 2HG2 ILE 40 11.895 6.291 2.502 334 2HG2 ILE 40 1HG2 ILE 40 12.371 6.521 4.190 335 3HG2 ILE 40 3HG2 ILE 40 10.710 6.897 3.672 336 1HD1 ILE 40 2HD1 ILE 40 11.865 7.986 5.923 337 2HD1 ILE 40 1HD1 ILE 40 12.973 9.285 6.448 338 3HD1 ILE 40 3HD1 ILE 40 11.478 9.657 5.573 339 H THR 41 H THR 41 13.562 6.603 0.287 340 HA THR 41 HA THR 41 11.053 6.731 -1.430 341 HB THR 41 HB THR 41 13.360 5.315 -2.507 342 HG1 THR 41 1HG THR 41 13.284 7.819 -3.372 343 1HG2 THR 41 2HG2 THR 41 11.140 7.133 -3.673 344 2HG2 THR 41 1HG2 THR 41 12.391 6.236 -4.603 345 3HG2 THR 41 3HG2 THR 41 11.203 5.356 -3.655 346 H GLN 42 H GLN 42 9.772 5.061 -0.630 347 HA GLN 42 HA GLN 42 10.994 2.832 0.769 348 1HB GLN 42 2HB GLN 42 8.127 3.037 -0.259 349 2HB GLN 42 1HB GLN 42 8.699 2.302 1.214 350 1HG GLN 42 2HG GLN 42 8.154 4.131 2.348 351 2HG GLN 42 1HG GLN 42 9.334 5.073 1.526 352 1HE2 GLN 42 2HE2 GLN 42 5.537 5.919 1.188 353 2HE2 GLN 42 1HE2 GLN 42 6.307 5.000 2.420 354 H GLU 43 H GLU 43 10.758 0.748 0.291 355 HA GLU 43 HA GLU 43 10.230 -0.071 -2.511 356 1HB GLU 43 2HB GLU 43 12.720 0.172 -1.244 357 2HB GLU 43 1HB GLU 43 12.356 -1.529 -1.035 358 1HG GLU 43 2HG GLU 43 11.958 -0.254 -3.783 359 2HG GLU 43 1HG GLU 43 13.663 -0.703 -3.201 360 H GLY 44 H GLY 44 9.792 -2.505 -2.300 361 1HA GLY 44 1HA GLY 44 7.612 -3.228 -0.997 362 2HA GLY 44 2HA GLY 44 8.918 -4.415 -1.364 363 H ASN 45 H ASN 45 10.856 -3.348 0.476 364 HA ASN 45 HA ASN 45 9.567 -3.407 3.150 365 1HB ASN 45 2HB ASN 45 11.436 -5.502 2.040 366 2HB ASN 45 1HB ASN 45 11.611 -4.958 3.741 367 1HD2 ASN 45 2HD2 ASN 45 8.283 -7.072 2.372 368 2HD2 ASN 45 1HD2 ASN 45 9.286 -6.152 1.319 369 H LYS 46 H LYS 46 12.690 -3.370 1.373 370 HA LYS 46 HA LYS 46 13.922 -1.540 3.330 371 1HB LYS 46 2HB LYS 46 15.723 -2.233 2.068 372 2HB LYS 46 1HB LYS 46 14.591 -2.782 0.792 373 1HG LYS 46 2HG LYS 46 14.584 -0.397 -0.098 374 2HG LYS 46 1HG LYS 46 15.891 -0.037 1.044 375 1HD LYS 46 2HD LYS 46 17.145 -0.569 -0.686 376 2HD LYS 46 1HD LYS 46 16.982 -2.212 -0.084 377 1HE LYS 46 2HE LYS 46 14.728 -1.673 -1.842 378 2HE LYS 46 1HE LYS 46 16.156 -1.097 -2.682 379 1HZ LYS 46 2HZ LYS 46 17.025 -3.466 -1.922 380 2HZ LYS 46 1HZ LYS 46 15.359 -3.793 -2.000 381 3HZ LYS 46 3HZ LYS 46 16.177 -3.185 -3.325 382 H PHE 47 H PHE 47 14.817 0.438 2.829 383 HA PHE 47 HA PHE 47 13.353 1.916 0.715 384 1HB PHE 47 2HB PHE 47 13.668 3.500 3.203 385 2HB PHE 47 1HB PHE 47 12.357 3.504 1.978 386 HD1 PHE 47 HD1 PHE 47 13.663 2.078 5.113 387 HD2 PHE 47 HD2 PHE 47 10.308 2.087 2.420 388 HE1 PHE 47 HE1 PHE 47 12.225 0.915 6.790 389 HE2 PHE 47 HE2 PHE 47 8.906 0.921 4.110 390 HZ PHE 47 HZ PHE 47 9.889 0.347 6.275 391 H THR 48 H THR 48 14.724 2.656 -0.462 392 HA THR 48 HA THR 48 17.477 3.148 0.162 393 HB THR 48 HB THR 48 16.097 4.313 -2.300 394 HG1 THR 48 1HG THR 48 16.563 2.076 -3.082 395 1HG2 THR 48 1HG2 THR 48 18.766 4.159 -1.591 396 2HG2 THR 48 3HG2 THR 48 18.667 2.663 -2.502 397 3HG2 THR 48 2HG2 THR 48 18.278 4.178 -3.308 398 H VAL 49 H VAL 49 17.395 4.544 1.829 399 HA VAL 49 HA VAL 49 16.124 7.252 1.372 400 HB VAL 49 HB VAL 49 16.785 7.849 3.601 401 1HG1 VAL 49 2HG1 VAL 49 14.675 6.362 3.151 402 2HG1 VAL 49 1HG1 VAL 49 15.621 5.009 3.824 403 3HG1 VAL 49 3HG1 VAL 49 15.264 6.471 4.807 404 1HG2 VAL 49 2HG2 VAL 49 18.835 5.904 3.370 405 2HG2 VAL 49 1HG2 VAL 49 18.347 6.676 4.893 406 3HG2 VAL 49 3HG2 VAL 49 17.708 5.116 4.441 407 H LYS 50 H LYS 50 17.631 9.143 1.524 408 HA LYS 50 HA LYS 50 20.197 8.323 0.285 409 1HB LYS 50 2HB LYS 50 19.063 11.067 0.782 410 2HB LYS 50 1HB LYS 50 20.725 10.787 0.192 411 1HG LYS 50 2HG LYS 50 19.869 9.591 -1.774 412 2HG LYS 50 1HG LYS 50 18.152 9.994 -1.327 413 1HD LYS 50 2HD LYS 50 18.481 11.996 -2.272 414 2HD LYS 50 1HD LYS 50 19.922 12.330 -1.197 415 1HE LYS 50 2HE LYS 50 21.114 10.615 -2.801 416 2HE LYS 50 1HE LYS 50 19.824 11.188 -3.954 417 1HZ LYS 50 3HZ LYS 50 21.283 13.190 -2.441 418 2HZ LYS 50 2HZ LYS 50 22.113 12.385 -3.650 419 3HZ LYS 50 1HZ LYS 50 20.671 13.178 -4.022 420 H GLU 51 H GLU 51 20.223 11.234 2.246 421 HA GLU 51 HA GLU 51 20.929 11.518 4.354 422 1HB GLU 51 2HB GLU 51 21.165 8.886 4.678 423 2HB GLU 51 1HB GLU 51 22.708 9.014 3.931 424 1HG GLU 51 2HG GLU 51 23.571 10.465 5.681 425 2HG GLU 51 1HG GLU 51 21.934 10.700 6.340 426 H SER 52 H SER 52 21.746 13.086 2.700 427 HA SER 52 HA SER 52 24.728 12.872 2.341 428 1HB SER 52 2HB SER 52 24.102 14.487 0.387 429 2HB SER 52 1HB SER 52 24.038 12.661 0.116 430 HG SER 52 HG SER 52 22.098 13.424 -0.533 431 H SER 53 H SER 53 25.011 14.044 4.233 432 HA SER 53 HA SER 53 23.798 16.775 4.318 433 1HB SER 53 2HB SER 53 24.768 17.118 6.389 434 2HB SER 53 1HB SER 53 24.722 15.357 6.410 435 HG SER 53 HG SER 53 26.860 16.092 6.799 436 H ASN 54 H ASN 54 25.962 18.328 5.044 437 HA ASN 54 HA ASN 54 27.266 18.514 2.333 438 1HB ASN 54 2HB ASN 54 26.290 20.512 3.869 439 2HB ASN 54 1HB ASN 54 27.850 20.326 4.656 440 1HD2 ASN 54 1HD2 ASN 54 27.507 22.078 0.900 441 2HD2 ASN 54 2HD2 ASN 54 26.181 21.402 1.801 442 H PHE 55 H PHE 55 28.007 16.209 3.968 443 HA PHE 55 HA PHE 55 30.856 16.847 4.531 444 1HB PHE 55 2HB PHE 55 28.827 15.380 6.294 445 2HB PHE 55 1HB PHE 55 30.588 15.275 6.498 446 HD1 PHE 55 HD2 PHE 55 27.949 17.974 6.168 447 HD2 PHE 55 HD1 PHE 55 31.627 16.630 7.999 448 HE1 PHE 55 HE2 PHE 55 28.005 19.984 7.518 449 HE2 PHE 55 HE1 PHE 55 31.628 18.701 9.362 450 HZ PHE 55 HZ PHE 55 29.852 20.372 9.136 451 H ARG 56 H ARG 56 28.292 14.332 4.614 452 HA ARG 56 HA ARG 56 30.226 12.267 3.915 453 1HB ARG 56 2HB ARG 56 27.320 12.354 4.718 454 2HB ARG 56 1HB ARG 56 27.958 10.934 3.889 455 1HG ARG 56 2HG ARG 56 28.956 12.110 6.535 456 2HG ARG 56 1HG ARG 56 28.018 10.609 6.374 457 1HD ARG 56 2HD ARG 56 30.852 11.128 5.351 458 2HD ARG 56 1HD ARG 56 30.367 10.144 6.749 459 HE ARG 56 HE ARG 56 29.248 9.415 4.082 460 1HH1 ARG 56 2HH1 ARG 56 31.467 8.535 6.673 461 2HH1 ARG 56 1HH1 ARG 56 31.686 6.893 6.138 462 1HH2 ARG 56 1HH2 ARG 56 29.563 7.214 3.383 463 2HH2 ARG 56 2HH2 ARG 56 30.630 6.192 4.320 464 H ASN 57 H ASN 57 27.036 13.282 2.866 465 HA ASN 57 HA ASN 57 26.007 13.324 0.882 466 1HB ASN 57 2HB ASN 57 27.600 14.820 0.095 467 2HB ASN 57 1HB ASN 57 28.888 13.593 -0.015 468 1HD2 ASN 57 2HD2 ASN 57 25.912 14.106 -2.862 469 2HD2 ASN 57 1HD2 ASN 57 25.934 14.910 -1.346 470 H ILE 58 H ILE 58 25.030 11.215 1.090 471 HA ILE 58 HA ILE 58 26.139 9.228 -0.741 472 HB ILE 58 HB ILE 58 27.266 9.230 1.654 473 1HG1 ILE 58 2HG1 ILE 58 26.910 6.431 1.218 474 2HG1 ILE 58 1HG1 ILE 58 26.818 7.241 -0.395 475 1HG2 ILE 58 3HG2 ILE 58 25.169 8.996 2.922 476 2HG2 ILE 58 2HG2 ILE 58 24.849 7.444 2.174 477 3HG2 ILE 58 1HG2 ILE 58 26.257 7.596 3.187 478 1HD1 ILE 58 2HD1 ILE 58 28.995 8.147 1.492 479 2HD1 ILE 58 1HD1 ILE 58 29.194 6.594 0.701 480 3HD1 ILE 58 3HD1 ILE 58 29.027 8.065 -0.289 481 H ASP 59 H ASP 59 24.863 7.152 -0.341 482 HA ASP 59 HA ASP 59 22.048 7.850 0.423 483 1HB ASP 59 2HB ASP 59 21.597 5.709 -1.049 484 2HB ASP 59 1HB ASP 59 21.751 7.276 -1.780 485 H VAL 60 H VAL 60 20.799 5.805 1.273 486 HA VAL 60 HA VAL 60 22.695 3.861 2.462 487 HB VAL 60 HB VAL 60 21.175 5.967 3.748 488 1HG1 VAL 60 1HG1 VAL 60 20.670 3.073 4.664 489 2HG1 VAL 60 3HG1 VAL 60 20.238 4.479 5.669 490 3HG1 VAL 60 2HG1 VAL 60 19.437 4.194 4.108 491 1HG2 VAL 60 1HG2 VAL 60 23.160 3.837 4.764 492 2HG2 VAL 60 3HG2 VAL 60 23.532 5.516 4.268 493 3HG2 VAL 60 2HG2 VAL 60 22.558 5.176 5.729 494 H VAL 61 H VAL 61 21.231 1.846 3.212 495 HA VAL 61 HA VAL 61 18.548 1.844 2.114 496 HB VAL 61 HB VAL 61 19.181 1.432 0.025 497 1HG1 VAL 61 1HG1 VAL 61 21.890 0.430 1.125 498 2HG1 VAL 61 3HG1 VAL 61 21.425 0.223 -0.574 499 3HG1 VAL 61 2HG1 VAL 61 21.599 1.854 0.148 500 1HG2 VAL 61 3HG2 VAL 61 18.206 -0.701 0.916 501 2HG2 VAL 61 2HG2 VAL 61 19.292 -1.061 -0.433 502 3HG2 VAL 61 1HG2 VAL 61 19.811 -1.361 1.240 503 H PHE 62 H PHE 62 17.415 0.438 3.348 504 HA PHE 62 HA PHE 62 18.865 -1.939 4.300 505 1HB PHE 62 2HB PHE 62 17.856 -1.516 6.608 506 2HB PHE 62 1HB PHE 62 19.337 -0.629 6.195 507 HD1 PHE 62 HD1 PHE 62 19.027 1.910 5.431 508 HD2 PHE 62 HD2 PHE 62 15.881 -0.453 7.194 509 HE1 PHE 62 HE1 PHE 62 17.807 3.925 5.961 510 HE2 PHE 62 HE2 PHE 62 14.646 1.537 7.726 511 HZ PHE 62 HZ PHE 62 15.608 3.823 7.106 512 H GLU 63 H GLU 63 17.614 -3.497 3.919 513 HA GLU 63 HA GLU 63 14.824 -3.528 3.219 514 1HB GLU 63 2HB GLU 63 16.869 -5.645 3.915 515 2HB GLU 63 1HB GLU 63 15.083 -6.031 3.846 516 1HG GLU 63 2HG GLU 63 15.126 -4.933 1.476 517 2HG GLU 63 1HG GLU 63 16.854 -4.763 1.670 518 H LEU 64 H LEU 64 14.268 -2.063 5.085 519 HA LEU 64 HA LEU 64 13.567 -1.624 7.166 520 1HB LEU 64 2HB LEU 64 11.890 -3.739 6.016 521 2HB LEU 64 1HB LEU 64 11.722 -3.594 7.784 522 HG LEU 64 HG LEU 64 11.620 -1.159 6.118 523 1HD1 LEU 64 2HD1 LEU 64 10.078 -3.282 5.312 524 2HD1 LEU 64 1HD1 LEU 64 8.968 -2.633 6.522 525 3HD1 LEU 64 3HD1 LEU 64 9.459 -1.641 5.161 526 1HD2 LEU 64 1HD2 LEU 64 11.108 -1.781 8.855 527 2HD2 LEU 64 3HD2 LEU 64 10.768 -0.242 8.116 528 3HD2 LEU 64 2HD2 LEU 64 9.481 -1.481 8.202 529 H GLY 65 H GLY 65 15.524 -2.204 8.706 530 1HA GLY 65 1HA GLY 65 15.855 -3.219 10.740 531 2HA GLY 65 2HA GLY 65 14.891 -4.597 10.299 532 H VAL 66 H VAL 66 17.793 -3.165 8.660 533 HA VAL 66 HA VAL 66 18.994 -5.889 8.819 534 HB VAL 66 HB VAL 66 18.267 -4.723 6.540 535 1HG1 VAL 66 3HG1 VAL 66 19.783 -2.743 6.917 536 2HG1 VAL 66 2HG1 VAL 66 21.172 -3.850 6.910 537 3HG1 VAL 66 1HG1 VAL 66 20.226 -3.587 5.435 538 1HG2 VAL 66 3HG2 VAL 66 19.237 -7.063 6.816 539 2HG2 VAL 66 2HG2 VAL 66 19.889 -6.274 5.368 540 3HG2 VAL 66 1HG2 VAL 66 20.858 -6.417 6.830 541 H ASP 67 H ASP 67 21.327 -5.871 9.309 542 HA ASP 67 HA ASP 67 21.988 -3.728 11.107 543 1HB ASP 67 2HB ASP 67 23.083 -6.333 10.501 544 2HB ASP 67 1HB ASP 67 24.083 -5.129 11.407 545 H PHE 68 H PHE 68 24.418 -3.159 11.213 546 HA PHE 68 HA PHE 68 25.563 -2.626 8.567 547 1HB PHE 68 2HB PHE 68 24.301 -0.400 10.043 548 2HB PHE 68 1HB PHE 68 25.850 -0.062 9.275 549 HD1 PHE 68 HD2 PHE 68 25.460 -1.997 6.769 550 HD2 PHE 68 HD1 PHE 68 22.914 0.975 8.655 551 HE1 PHE 68 HE2 PHE 68 24.283 -1.623 4.673 552 HE2 PHE 68 HE1 PHE 68 21.770 1.332 6.567 553 HZ PHE 68 HZ PHE 68 22.395 0.060 4.512 554 H ALA 69 H ALA 69 25.903 -0.978 11.680 555 HA ALA 69 HA ALA 69 27.560 -0.960 13.281 556 1HB ALA 69 1HB ALA 69 27.969 -3.468 12.168 557 2HB ALA 69 3HB ALA 69 29.542 -2.633 11.882 558 3HB ALA 69 2HB ALA 69 28.886 -2.824 13.543 559 H TYR 70 H TYR 70 27.098 0.837 11.437 560 HA TYR 70 HA TYR 70 29.816 1.831 10.837 561 1HB TYR 70 2HB TYR 70 29.146 1.802 8.634 562 2HB TYR 70 1HB TYR 70 27.438 1.500 9.070 563 HD1 TYR 70 HD1 TYR 70 30.037 4.243 9.009 564 HD2 TYR 70 HD2 TYR 70 25.886 3.372 8.641 565 HE1 TYR 70 HE1 TYR 70 29.591 6.604 8.403 566 HE2 TYR 70 HE2 TYR 70 25.385 5.706 8.025 567 HH TYR 70 HH TYR 70 26.497 7.676 7.244 568 H SER 71 H SER 71 30.200 3.587 12.101 569 HA SER 71 HA SER 71 28.492 4.692 13.943 570 1HB SER 71 2HB SER 71 30.105 6.137 14.377 571 2HB SER 71 1HB SER 71 31.027 5.200 13.207 572 HG SER 71 HG SER 71 30.831 6.880 11.835 573 H LEU 72 H LEU 72 26.830 5.727 13.912 574 HA LEU 72 HA LEU 72 25.116 6.372 11.988 575 1HB LEU 72 2HB LEU 72 24.549 6.573 14.338 576 2HB LEU 72 1HB LEU 72 25.893 7.711 14.615 577 HG LEU 72 HG LEU 72 23.673 8.675 14.798 578 1HD1 LEU 72 1HD1 LEU 72 25.884 9.958 14.198 579 2HD1 LEU 72 3HD1 LEU 72 25.119 10.232 12.628 580 3HD1 LEU 72 2HD1 LEU 72 24.333 10.746 14.153 581 1HD2 LEU 72 1HD2 LEU 72 22.876 7.394 12.556 582 2HD2 LEU 72 3HD2 LEU 72 22.230 9.031 12.794 583 3HD2 LEU 72 2HD2 LEU 72 23.573 8.756 11.694 584 H ALA 73 H ALA 73 27.823 8.401 13.126 585 HA ALA 73 HA ALA 73 28.306 9.677 10.640 586 1HB ALA 73 2HB ALA 73 26.216 10.868 10.987 587 2HB ALA 73 1HB ALA 73 26.947 11.634 12.433 588 3HB ALA 73 3HB ALA 73 27.702 11.879 10.839 589 H ASP 74 H ASP 74 30.445 9.314 10.991 590 HA ASP 74 HA ASP 74 32.547 9.603 11.826 591 1HB ASP 74 2HB ASP 74 31.627 12.288 12.443 592 2HB ASP 74 1HB ASP 74 33.291 11.621 12.503 593 H GLY 75 H GLY 75 31.474 7.978 13.656 594 1HA GLY 75 1HA GLY 75 32.673 9.077 16.165 595 2HA GLY 75 2HA GLY 75 31.032 8.535 16.292 596 H THR 76 H THR 76 30.593 6.208 16.268 597 HA THR 76 HA THR 76 33.063 4.514 16.406 598 HB THR 76 HB THR 76 32.283 5.372 18.590 599 HG1 THR 76 1HG THR 76 32.026 2.708 18.750 600 1HG2 THR 76 2HG2 THR 76 29.746 4.976 18.045 601 2HG2 THR 76 1HG2 THR 76 30.029 3.236 18.072 602 3HG2 THR 76 3HG2 THR 76 30.180 4.214 19.566 603 H GLU 77 H GLU 77 29.468 4.613 16.091 604 HA GLU 77 HA GLU 77 29.364 2.524 14.139 605 1HB GLU 77 2HB GLU 77 29.607 1.671 16.944 606 2HB GLU 77 1HB GLU 77 28.196 0.996 16.256 607 1HG GLU 77 2HG GLU 77 30.155 0.557 14.160 608 2HG GLU 77 1HG GLU 77 31.039 0.293 15.667 609 H LEU 78 H LEU 78 27.263 1.168 14.385 610 HA LEU 78 HA LEU 78 24.923 1.833 15.752 611 1HB LEU 78 2HB LEU 78 25.539 3.776 13.545 612 2HB LEU 78 1HB LEU 78 24.085 2.833 13.232 613 HG LEU 78 HG LEU 78 24.477 4.863 15.384 614 1HD1 LEU 78 3HD1 LEU 78 23.365 5.267 13.142 615 2HD1 LEU 78 2HD1 LEU 78 22.077 4.165 13.590 616 3HD1 LEU 78 1HD1 LEU 78 22.326 5.619 14.551 617 1HD2 LEU 78 2HD2 LEU 78 22.995 2.163 15.353 618 2HD2 LEU 78 1HD2 LEU 78 23.336 3.115 16.809 619 3HD2 LEU 78 3HD2 LEU 78 21.957 3.522 15.724 620 H THR 79 H THR 79 25.415 -0.387 15.541 621 HA THR 79 HA THR 79 24.792 -1.774 12.990 622 HB THR 79 HB THR 79 26.648 -2.613 14.401 623 HG1 THR 79 1HG THR 79 25.344 -4.770 14.087 624 1HG2 THR 79 3HG2 THR 79 25.471 -2.497 16.580 625 2HG2 THR 79 2HG2 THR 79 24.656 -4.048 16.167 626 3HG2 THR 79 1HG2 THR 79 26.434 -3.915 16.261 627 H GLY 80 H GLY 80 22.750 -0.262 13.609 628 1HA GLY 80 1HA GLY 80 20.856 -2.037 15.105 629 2HA GLY 80 2HA GLY 80 20.659 -0.270 14.764 630 H THR 81 H THR 81 18.758 -1.977 14.339 631 HA THR 81 HA THR 81 18.657 -2.298 11.327 632 HB THR 81 HB THR 81 18.069 -4.471 11.590 633 HG1 THR 81 1HG THR 81 16.304 -4.552 13.570 634 1HG2 THR 81 3HG2 THR 81 18.421 -3.842 14.546 635 2HG2 THR 81 2HG2 THR 81 18.092 -5.462 13.953 636 3HG2 THR 81 1HG2 THR 81 19.610 -4.639 13.453 637 H TRP 82 H TRP 82 18.056 -0.253 11.413 638 HA TRP 82 HA TRP 82 15.809 0.943 12.575 639 1HB TRP 82 2HB TRP 82 16.418 1.298 9.598 640 2HB TRP 82 1HB TRP 82 15.704 2.497 10.589 641 HD1 TRP 82 HD1 TRP 82 19.396 1.017 11.382 642 HE1 TRP 82 HE1 TRP 82 20.923 3.006 11.121 643 HE3 TRP 82 HE3 TRP 82 16.094 4.549 9.707 644 HZ2 TRP 82 HZ2 TRP 82 20.844 5.741 10.333 645 HZ3 TRP 82 HZ3 TRP 82 16.810 6.782 9.237 646 HH2 TRP 82 HH2 TRP 82 19.284 7.411 9.560 647 H THR 83 H THR 83 13.728 0.818 12.013 648 HA THR 83 HA THR 83 12.620 -0.384 9.561 649 HB THR 83 HB THR 83 10.795 -1.397 10.997 650 HG1 THR 83 1HG THR 83 11.164 -1.414 12.987 651 1HG2 THR 83 2HG2 THR 83 13.434 -2.736 10.359 652 2HG2 THR 83 1HG2 THR 83 12.311 -3.609 11.465 653 3HG2 THR 83 3HG2 THR 83 11.797 -3.239 9.844 654 H MET 84 H MET 84 10.072 0.043 9.930 655 HA MET 84 HA MET 84 9.725 2.558 11.538 656 1HB MET 84 2HB MET 84 8.405 3.404 9.569 657 2HB MET 84 1HB MET 84 9.941 2.980 8.915 658 1HG MET 84 2HG MET 84 9.300 0.960 7.962 659 2HG MET 84 1HG MET 84 7.917 0.847 8.979 660 1HE MET 84 1HE MET 84 7.890 0.110 5.998 661 2HE MET 84 3HE MET 84 6.248 0.202 6.677 662 3HE MET 84 2HE MET 84 6.611 1.073 5.173 663 H GLU 85 H GLU 85 6.884 2.409 10.462 664 HA GLU 85 HA GLU 85 6.019 -0.202 11.471 665 1HB GLU 85 2HB GLU 85 6.586 1.629 13.419 666 2HB GLU 85 1HB GLU 85 4.946 2.152 12.950 667 1HG GLU 85 2HG GLU 85 4.478 -0.529 13.120 668 2HG GLU 85 1HG GLU 85 5.835 -0.598 14.111 669 H GLY 86 H GLY 86 5.772 1.447 9.085 670 1HA GLY 86 1HA GLY 86 4.146 2.038 7.536 671 2HA GLY 86 2HA GLY 86 3.070 0.931 8.519 672 H ASN 87 H ASN 87 4.882 3.566 9.812 673 HA ASN 87 HA ASN 87 2.862 5.590 9.742 674 1HB ASN 87 2HB ASN 87 1.653 3.986 11.201 675 2HB ASN 87 1HB ASN 87 2.486 5.152 12.374 676 1HD2 ASN 87 1HD2 ASN 87 0.935 8.087 11.080 677 2HD2 ASN 87 2HD2 ASN 87 2.255 7.451 11.984 678 H LYS 88 H LYS 88 5.628 4.138 11.437 679 HA LYS 88 HA LYS 88 7.063 6.719 11.345 680 1HB LYS 88 2HB LYS 88 7.982 6.104 13.590 681 2HB LYS 88 1HB LYS 88 6.579 7.041 13.667 682 1HG LYS 88 2HG LYS 88 5.274 4.765 14.031 683 2HG LYS 88 1HG LYS 88 6.933 4.123 14.408 684 1HD LYS 88 2HD LYS 88 6.206 6.780 15.506 685 2HD LYS 88 1HD LYS 88 5.350 5.466 16.250 686 1HE LYS 88 2HE LYS 88 8.150 4.659 16.122 687 2HE LYS 88 1HE LYS 88 8.113 6.374 16.604 688 1HZ LYS 88 2HZ LYS 88 6.448 5.678 18.293 689 2HZ LYS 88 1HZ LYS 88 6.832 4.055 17.896 690 3HZ LYS 88 3HZ LYS 88 8.003 5.113 18.509 691 H LEU 89 H LEU 89 8.956 6.426 10.972 692 HA LEU 89 HA LEU 89 10.319 3.933 10.362 693 1HB LEU 89 2HB LEU 89 10.825 6.796 10.207 694 2HB LEU 89 1HB LEU 89 12.007 6.014 11.152 695 HG LEU 89 HG LEU 89 11.338 5.494 8.258 696 1HD1 LEU 89 3HD1 LEU 89 13.283 7.063 9.670 697 2HD1 LEU 89 2HD1 LEU 89 14.193 5.731 8.949 698 3HD1 LEU 89 1HD1 LEU 89 13.187 6.790 7.921 699 1HD2 LEU 89 3HD2 LEU 89 11.980 3.240 9.730 700 2HD2 LEU 89 2HD2 LEU 89 12.967 3.543 8.262 701 3HD2 LEU 89 1HD2 LEU 89 13.538 4.025 9.870 702 H VAL 90 H VAL 90 12.541 4.015 11.576 703 HA VAL 90 HA VAL 90 12.776 4.518 14.419 704 HB VAL 90 HB VAL 90 13.044 1.701 13.651 705 1HG1 VAL 90 1HG1 VAL 90 12.611 3.125 16.285 706 2HG1 VAL 90 3HG1 VAL 90 12.820 1.360 16.125 707 3HG1 VAL 90 2HG1 VAL 90 14.091 2.436 15.553 708 1HG2 VAL 90 3HG2 VAL 90 10.434 2.183 13.295 709 2HG2 VAL 90 2HG2 VAL 90 10.728 1.161 14.687 710 3HG2 VAL 90 1HG2 VAL 90 10.441 2.901 14.928 711 H GLY 91 H GLY 91 14.664 5.380 14.053 712 1HA GLY 91 1HA GLY 91 16.606 4.658 12.049 713 2HA GLY 91 2HA GLY 91 16.759 5.769 13.405 714 H LYS 92 H LYS 92 15.756 3.683 15.144 715 HA LYS 92 HA LYS 92 16.475 2.209 16.626 716 1HB LYS 92 2HB LYS 92 16.038 0.927 14.429 717 2HB LYS 92 1HB LYS 92 17.802 0.532 14.484 718 1HG LYS 92 2HG LYS 92 16.796 -1.190 15.980 719 2HG LYS 92 1HG LYS 92 17.126 0.138 17.074 720 1HD LYS 92 2HD LYS 92 14.891 -0.511 17.331 721 2HD LYS 92 1HD LYS 92 14.915 1.099 16.610 722 1HE LYS 92 2HE LYS 92 13.754 0.285 14.690 723 2HE LYS 92 1HE LYS 92 14.936 -1.073 14.612 724 1HZ LYS 92 3HZ LYS 92 13.425 -1.857 16.617 725 2HZ LYS 92 2HZ LYS 92 12.293 -0.957 15.798 726 3HZ LYS 92 1HZ LYS 92 13.133 -2.228 15.027 727 H PHE 93 H PHE 93 18.845 0.342 16.099 728 HA PHE 93 HA PHE 93 21.244 1.821 16.332 729 1HB PHE 93 2HB PHE 93 20.946 1.866 19.019 730 2HB PHE 93 1HB PHE 93 20.224 3.122 18.121 731 HD1 PHE 93 HD2 PHE 93 19.995 -0.272 19.405 732 HD2 PHE 93 HD1 PHE 93 17.536 2.977 18.241 733 HE1 PHE 93 HE2 PHE 93 18.073 -1.534 20.211 734 HE2 PHE 93 HE1 PHE 93 15.573 1.693 19.053 735 HZ PHE 93 HZ PHE 93 15.807 -0.555 20.026 736 H LYS 94 H LYS 94 22.282 1.207 18.390 737 HA LYS 94 HA LYS 94 22.593 0.039 20.263 738 1HB LYS 94 2HB LYS 94 21.499 -2.263 18.723 739 2HB LYS 94 1HB LYS 94 23.022 -2.635 19.749 740 1HG LYS 94 2HG LYS 94 22.279 -1.448 21.559 741 2HG LYS 94 1HG LYS 94 20.967 -0.756 20.877 742 1HD LYS 94 2HD LYS 94 19.679 -2.822 20.884 743 2HD LYS 94 1HD LYS 94 21.053 -3.817 21.181 744 1HE LYS 94 2HE LYS 94 21.207 -1.974 23.306 745 2HE LYS 94 1HE LYS 94 19.449 -2.283 23.169 746 1HZ LYS 94 1HZ LYS 94 20.130 -4.684 22.909 747 2HZ LYS 94 3HZ LYS 94 21.591 -4.181 23.615 748 3HZ LYS 94 2HZ LYS 94 20.146 -3.961 24.463 749 H ARG 95 H ARG 95 24.035 1.467 19.034 750 HA ARG 95 HA ARG 95 25.734 0.697 17.050 751 1HB ARG 95 2HB ARG 95 27.223 2.645 18.044 752 2HB ARG 95 1HB ARG 95 25.699 2.815 17.194 753 1HG ARG 95 2HG ARG 95 25.263 2.511 20.136 754 2HG ARG 95 1HG ARG 95 26.426 3.753 19.891 755 1HD ARG 95 2HD ARG 95 23.595 3.530 18.688 756 2HD ARG 95 1HD ARG 95 24.282 4.695 19.740 757 HE ARG 95 HE ARG 95 25.403 4.627 16.995 758 1HH1 ARG 95 2HH2 ARG 95 23.638 6.462 19.507 759 2HH1 ARG 95 1HH2 ARG 95 23.815 7.952 18.612 760 1HH2 ARG 95 1HH1 ARG 95 25.594 6.417 15.956 761 2HH2 ARG 95 2HH1 ARG 95 24.933 7.948 16.539 762 H VAL 96 H VAL 96 27.828 1.750 19.713 763 HA VAL 96 HA VAL 96 28.530 -1.028 20.470 764 HB VAL 96 HB VAL 96 29.994 0.722 18.549 765 1HG1 VAL 96 3HG1 VAL 96 31.330 -0.562 20.932 766 2HG1 VAL 96 2HG1 VAL 96 32.049 -0.967 19.390 767 3HG1 VAL 96 1HG1 VAL 96 31.920 0.728 19.857 768 1HG2 VAL 96 1HG2 VAL 96 29.658 -2.328 18.937 769 2HG2 VAL 96 3HG2 VAL 96 29.025 -1.335 17.639 770 3HG2 VAL 96 2HG2 VAL 96 30.767 -1.570 17.737 771 H ASP 97 H ASP 97 29.480 2.449 20.392 772 HA ASP 97 HA ASP 97 31.003 2.665 22.733 773 1HB ASP 97 2HB ASP 97 30.646 4.502 21.399 774 2HB ASP 97 1HB ASP 97 28.914 4.456 21.655 775 H ASN 98 H ASN 98 27.512 2.039 22.511 776 HA ASN 98 HA ASN 98 27.287 0.751 24.923 777 1HB ASN 98 2HB ASN 98 28.008 2.030 26.248 778 2HB ASN 98 1HB ASN 98 27.413 3.515 25.591 779 1HD2 ASN 98 1HD2 ASN 98 24.715 1.125 27.745 780 2HD2 ASN 98 2HD2 ASN 98 25.723 0.415 26.515 781 H GLY 99 H GLY 99 25.960 -0.137 22.947 782 1HA GLY 99 1HA GLY 99 23.932 -0.414 21.811 783 2HA GLY 99 2HA GLY 99 23.538 -0.983 23.352 784 H LYS 100 H LYS 100 23.932 2.353 22.257 785 HA LYS 100 HA LYS 100 21.978 3.865 23.380 786 1HB LYS 100 2HB LYS 100 23.165 3.619 20.797 787 2HB LYS 100 1HB LYS 100 21.878 4.808 20.964 788 1HG LYS 100 2HG LYS 100 23.926 5.983 21.333 789 2HG LYS 100 1HG LYS 100 23.037 5.932 22.881 790 1HD LYS 100 2HD LYS 100 24.485 4.154 23.664 791 2HD LYS 100 1HD LYS 100 25.150 3.824 22.123 792 1HE LYS 100 2HE LYS 100 26.832 5.350 22.392 793 2HE LYS 100 1HE LYS 100 25.641 6.637 22.718 794 1HZ LYS 100 2HZ LYS 100 26.272 4.769 24.809 795 2HZ LYS 100 1HZ LYS 100 27.262 6.127 24.465 796 3HZ LYS 100 3HZ LYS 100 25.612 6.287 24.909 797 H GLU 101 H GLU 101 20.320 4.966 22.047 798 HA GLU 101 HA GLU 101 18.862 3.203 20.238 799 1HB GLU 101 2HB GLU 101 17.583 3.775 22.863 800 2HB GLU 101 1HB GLU 101 16.584 3.707 21.488 801 1HG GLU 101 2HG GLU 101 17.889 1.535 20.829 802 2HG GLU 101 1HG GLU 101 18.325 1.396 22.446 803 H LEU 102 H LEU 102 20.105 4.994 19.333 804 HA LEU 102 HA LEU 102 19.249 7.692 19.074 805 1HB LEU 102 2HB LEU 102 19.783 5.818 16.677 806 2HB LEU 102 1HB LEU 102 19.657 7.586 16.655 807 HG LEU 102 HG LEU 102 21.595 7.015 18.641 808 1HD1 LEU 102 1HD1 LEU 102 21.224 4.616 17.107 809 2HD1 LEU 102 3HD1 LEU 102 22.805 5.301 16.690 810 3HD1 LEU 102 2HD1 LEU 102 22.358 4.943 18.399 811 1HD2 LEU 102 2HD2 LEU 102 21.437 8.046 15.839 812 2HD2 LEU 102 1HD2 LEU 102 22.673 8.484 17.075 813 3HD2 LEU 102 3HD2 LEU 102 22.887 7.083 15.962 814 H ILE 103 H ILE 103 18.179 4.762 17.385 815 HA ILE 103 HA ILE 103 16.041 4.077 16.815 816 HB ILE 103 HB ILE 103 15.766 5.953 19.078 817 1HG1 ILE 103 2HG1 ILE 103 16.008 3.570 19.092 818 2HG1 ILE 103 1HG1 ILE 103 14.681 4.039 20.012 819 1HG2 ILE 103 3HG2 ILE 103 14.163 7.081 17.615 820 2HG2 ILE 103 2HG2 ILE 103 13.215 5.590 17.474 821 3HG2 ILE 103 1HG2 ILE 103 13.474 6.395 19.066 822 1HD1 ILE 103 1HD1 ILE 103 13.071 3.500 18.249 823 2HD1 ILE 103 3HD1 ILE 103 14.446 2.793 17.319 824 3HD1 ILE 103 2HD1 ILE 103 13.872 2.106 18.883 825 H ALA 104 H ALA 104 17.489 6.862 15.762 826 HA ALA 104 HA ALA 104 16.181 8.824 14.754 827 1HB ALA 104 2HB ALA 104 18.326 7.294 13.645 828 2HB ALA 104 1HB ALA 104 17.179 7.540 12.338 829 3HB ALA 104 3HB ALA 104 17.796 8.954 13.177 830 H VAL 105 H VAL 105 13.933 8.184 15.167 831 HA VAL 105 HA VAL 105 12.751 6.626 12.871 832 HB VAL 105 HB VAL 105 11.541 5.862 14.496 833 1HG1 VAL 105 3HG1 VAL 105 12.760 7.306 16.379 834 2HG1 VAL 105 2HG1 VAL 105 11.235 8.263 16.361 835 3HG1 VAL 105 1HG1 VAL 105 11.217 6.547 16.660 836 1HG2 VAL 105 2HG2 VAL 105 10.058 8.507 14.026 837 2HG2 VAL 105 1HG2 VAL 105 9.830 6.908 13.240 838 3HG2 VAL 105 3HG2 VAL 105 9.428 7.079 14.925 839 H ARG 106 H ARG 106 11.883 7.956 11.210 840 HA ARG 106 HA ARG 106 11.910 10.938 11.392 841 1HB ARG 106 2HB ARG 106 12.137 8.872 9.429 842 2HB ARG 106 1HB ARG 106 10.605 9.682 9.082 843 1HG ARG 106 2HG ARG 106 11.730 11.398 8.197 844 2HG ARG 106 1HG ARG 106 12.241 11.838 9.748 845 1HD ARG 106 2HD ARG 106 13.946 9.770 8.303 846 2HD ARG 106 1HD ARG 106 14.110 11.546 7.956 847 HE ARG 106 HE ARG 106 14.280 11.840 10.414 848 1HH1 ARG 106 1HH1 ARG 106 15.475 8.796 9.004 849 2HH1 ARG 106 2HH1 ARG 106 16.583 8.596 10.336 850 1HH2 ARG 106 2HH2 ARG 106 15.700 11.472 11.986 851 2HH2 ARG 106 1HH2 ARG 106 16.764 10.082 12.044 852 H GLU 107 H GLU 107 10.066 8.143 11.807 853 HA GLU 107 HA GLU 107 7.920 7.753 12.484 854 1HB GLU 107 2HB GLU 107 8.903 10.379 13.330 855 2HB GLU 107 1HB GLU 107 7.052 10.419 13.180 856 1HG GLU 107 2HG GLU 107 7.876 8.079 14.597 857 2HG GLU 107 1HG GLU 107 8.802 9.243 15.249 858 H ILE 108 H ILE 108 7.877 11.129 11.560 859 HA ILE 108 HA ILE 108 7.030 12.434 10.026 860 HB ILE 108 HB ILE 108 7.604 10.505 8.529 861 1HG1 ILE 108 2HG1 ILE 108 5.298 12.379 7.763 862 2HG1 ILE 108 1HG1 ILE 108 6.939 12.876 8.172 863 1HG2 ILE 108 3HG2 ILE 108 4.687 9.748 9.051 864 2HG2 ILE 108 2HG2 ILE 108 4.951 10.133 7.355 865 3HG2 ILE 108 1HG2 ILE 108 5.927 8.871 8.194 866 1HD1 ILE 108 1HD1 ILE 108 7.301 10.829 6.133 867 2HD1 ILE 108 3HD1 ILE 108 5.904 11.832 5.620 868 3HD1 ILE 108 2HD1 ILE 108 7.425 12.615 5.931 869 H SER 109 H SER 109 5.249 13.570 9.964 870 HA SER 109 HA SER 109 2.724 12.343 10.723 871 1HB SER 109 2HB SER 109 3.312 12.369 12.889 872 2HB SER 109 1HB SER 109 4.533 13.624 12.713 873 HG SER 109 HG SER 109 1.927 13.834 13.457 874 H GLY 110 H GLY 110 1.640 13.205 9.229 875 1HA GLY 110 1HA GLY 110 0.530 14.673 7.920 876 2HA GLY 110 2HA GLY 110 0.859 15.983 9.180 877 H ASN 111 H ASN 111 2.625 17.254 9.013 878 HA ASN 111 HA ASN 111 4.148 16.987 6.496 879 1HB ASN 111 2HB ASN 111 2.735 18.767 6.177 880 2HB ASN 111 1HB ASN 111 3.224 19.514 7.692 881 1HD2 ASN 111 1HD2 ASN 111 6.226 21.028 6.379 882 2HD2 ASN 111 2HD2 ASN 111 5.255 20.643 7.799 883 H GLU 112 H GLU 112 5.255 15.484 8.174 884 HA GLU 112 HA GLU 112 7.407 17.118 9.503 885 1HB GLU 112 2HB GLU 112 5.449 15.221 10.686 886 2HB GLU 112 1HB GLU 112 7.083 14.743 10.970 887 1HG GLU 112 2HG GLU 112 5.967 16.257 12.737 888 2HG GLU 112 1HG GLU 112 7.529 16.730 12.305 889 H LEU 113 H LEU 113 8.819 15.383 10.427 890 HA LEU 113 HA LEU 113 9.308 12.795 9.481 891 1HB LEU 113 2HB LEU 113 11.242 14.899 8.416 892 2HB LEU 113 1HB LEU 113 11.638 13.215 8.676 893 HG LEU 113 HG LEU 113 9.739 14.184 6.513 894 1HD1 LEU 113 3HD1 LEU 113 12.604 13.513 6.864 895 2HD1 LEU 113 2HD1 LEU 113 11.887 12.357 5.781 896 3HD1 LEU 113 1HD1 LEU 113 11.753 14.130 5.479 897 1HD2 LEU 113 2HD2 LEU 113 9.440 11.705 7.891 898 2HD2 LEU 113 1HD2 LEU 113 9.118 11.877 6.127 899 3HD2 LEU 113 3HD2 LEU 113 10.643 11.285 6.703 900 H ILE 114 H ILE 114 8.776 14.379 11.692 901 HA ILE 114 HA ILE 114 9.915 15.522 13.458 902 HB ILE 114 HB ILE 114 10.192 12.684 14.339 903 1HG1 ILE 114 2HG1 ILE 114 8.437 12.728 12.354 904 2HG1 ILE 114 1HG1 ILE 114 7.984 11.955 13.807 905 1HG2 ILE 114 3HG2 ILE 114 9.988 14.509 15.834 906 2HG2 ILE 114 2HG2 ILE 114 8.331 14.772 15.257 907 3HG2 ILE 114 1HG2 ILE 114 8.747 13.218 16.028 908 1HD1 ILE 114 2HD1 ILE 114 7.356 14.955 13.420 909 2HD1 ILE 114 1HD1 ILE 114 6.458 13.761 12.506 910 3HD1 ILE 114 3HD1 ILE 114 6.344 13.725 14.260 911 H GLN 115 H GLN 115 11.413 12.425 13.000 912 HA GLN 115 HA GLN 115 13.573 11.844 12.343 913 1HB GLN 115 2HB GLN 115 14.342 14.506 13.663 914 2HB GLN 115 1HB GLN 115 15.462 13.267 13.099 915 1HG GLN 115 2HG GLN 115 14.327 13.688 10.757 916 2HG GLN 115 1HG GLN 115 13.557 15.118 11.483 917 1HE2 GLN 115 1HE2 GLN 115 17.732 14.834 11.436 918 2HE2 GLN 115 2HE2 GLN 115 16.704 13.449 11.397 919 H THR 116 H THR 116 12.221 12.838 15.232 920 HA THR 116 HA THR 116 12.943 12.280 17.539 921 HB THR 116 HB THR 116 11.469 10.121 16.033 922 HG1 THR 116 1HG THR 116 9.744 11.616 16.971 923 1HG2 THR 116 1HG2 THR 116 12.170 10.499 18.868 924 2HG2 THR 116 3HG2 THR 116 10.425 10.926 18.760 925 3HG2 THR 116 2HG2 THR 116 11.021 9.301 18.327 926 H TYR 117 H TYR 117 15.388 11.823 16.974 927 HA TYR 117 HA TYR 117 15.558 8.874 17.447 928 1HB TYR 117 2HB TYR 117 18.222 10.021 17.590 929 2HB TYR 117 1HB TYR 117 17.698 8.816 16.638 930 HD1 TYR 117 HD2 TYR 117 16.338 12.092 15.390 931 HD2 TYR 117 HD1 TYR 117 19.564 9.302 15.249 932 HE1 TYR 117 HE2 TYR 117 17.269 13.142 13.308 933 HE2 TYR 117 HE1 TYR 117 20.419 10.305 13.230 934 HH TYR 117 HH TYR 117 19.141 13.371 12.044 935 H THR 118 H THR 118 15.387 8.378 19.330 936 HA THR 118 HA THR 118 16.121 10.111 21.579 937 HB THR 118 HB THR 118 14.726 7.538 21.822 938 HG1 THR 118 1HG THR 118 14.021 9.783 20.559 939 1HG2 THR 118 3HG2 THR 118 15.713 9.129 23.842 940 2HG2 THR 118 2HG2 THR 118 14.545 10.309 23.288 941 3HG2 THR 118 1HG2 THR 118 13.945 8.789 23.933 942 H TYR 119 H TYR 119 18.560 9.117 20.677 943 HA TYR 119 HA TYR 119 19.210 6.450 21.727 944 1HB TYR 119 2HB TYR 119 21.401 6.892 21.562 945 2HB TYR 119 1HB TYR 119 20.784 7.781 20.192 946 HD1 TYR 119 HD1 TYR 119 19.941 10.336 21.274 947 HD2 TYR 119 HD2 TYR 119 23.180 7.890 22.650 948 HE1 TYR 119 HE1 TYR 119 21.056 12.255 22.286 949 HE2 TYR 119 HE2 TYR 119 24.287 9.766 23.665 950 HH TYR 119 HH TYR 119 22.946 12.352 24.507 951 H GLU 120 H GLU 120 18.636 5.848 23.559 952 HA GLU 120 HA GLU 120 18.484 5.623 25.802 953 1HB GLU 120 2HB GLU 120 20.997 7.060 26.305 954 2HB GLU 120 1HB GLU 120 20.451 5.308 26.424 955 1HG GLU 120 2HG GLU 120 20.738 5.168 24.006 956 2HG GLU 120 1HG GLU 120 21.552 6.762 23.972 957 H GLY 121 H GLY 121 16.982 7.753 24.814 958 1HA GLY 121 1HA GLY 121 15.574 9.136 25.909 959 2HA GLY 121 2HA GLY 121 16.581 9.309 27.254 960 H VAL 122 H VAL 122 17.453 10.025 23.785 961 HA VAL 122 HA VAL 122 17.135 12.912 24.469 962 HB VAL 122 HB VAL 122 19.764 11.527 23.926 963 1HG1 VAL 122 2HG1 VAL 122 19.252 14.599 23.971 964 2HG1 VAL 122 1HG1 VAL 122 20.829 13.840 23.938 965 3HG1 VAL 122 3HG1 VAL 122 19.816 13.693 22.525 966 1HG2 VAL 122 1HG2 VAL 122 18.530 13.190 26.140 967 2HG2 VAL 122 3HG2 VAL 122 19.448 11.657 26.300 968 3HG2 VAL 122 2HG2 VAL 122 20.272 13.194 25.999 969 H GLU 123 H GLU 123 15.471 12.233 22.958 970 HA GLU 123 HA GLU 123 15.635 11.695 20.168 971 1HB GLU 123 2HB GLU 123 13.554 12.556 21.908 972 2HB GLU 123 1HB GLU 123 14.018 14.053 21.325 973 1HG GLU 123 2HG GLU 123 13.747 13.303 18.936 974 2HG GLU 123 1HG GLU 123 13.512 11.746 19.395 975 H ALA 124 H ALA 124 16.081 12.787 18.462 976 HA ALA 124 HA ALA 124 16.575 15.664 18.878 977 1HB ALA 124 3HB ALA 124 18.667 13.759 17.731 978 2HB ALA 124 2HB ALA 124 18.684 15.441 17.222 979 3HB ALA 124 1HB ALA 124 18.960 14.989 18.961 980 H LYS 125 H LYS 125 15.366 16.743 17.546 981 HA LYS 125 HA LYS 125 15.173 15.587 14.873 982 1HB LYS 125 2HB LYS 125 12.417 16.092 15.517 983 2HB LYS 125 1HB LYS 125 13.209 14.574 15.076 984 1HG LYS 125 2HG LYS 125 12.326 14.034 17.231 985 2HG LYS 125 1HG LYS 125 14.006 14.181 17.277 986 1HD LYS 125 2HD LYS 125 12.494 15.378 19.099 987 2HD LYS 125 1HD LYS 125 13.965 16.123 18.663 988 1HE LYS 125 2HE LYS 125 11.633 17.043 16.966 989 2HE LYS 125 1HE LYS 125 11.393 17.222 18.709 990 1HZ LYS 125 2HZ LYS 125 13.974 18.058 17.766 991 2HZ LYS 125 1HZ LYS 125 12.681 18.910 17.084 992 3HZ LYS 125 3HZ LYS 125 12.886 18.875 18.775 993 H ARG 126 H ARG 126 13.044 17.052 14.002 994 HA ARG 126 HA ARG 126 12.435 19.607 14.732 995 1HB ARG 126 2HB ARG 126 15.038 19.910 13.415 996 2HB ARG 126 1HB ARG 126 13.678 21.135 13.410 997 1HG ARG 126 2HG ARG 126 13.943 20.238 16.057 998 2HG ARG 126 1HG ARG 126 15.572 20.962 15.502 999 1HD ARG 126 2HD ARG 126 14.012 22.483 16.525 1000 2HD ARG 126 1HD ARG 126 14.461 22.978 14.875 1001 HE ARG 126 HE ARG 126 12.266 22.288 14.143 1002 1HH1 ARG 126 1HH2 ARG 126 12.630 21.918 17.745 1003 2HH1 ARG 126 2HH2 ARG 126 10.903 21.815 17.879 1004 1HH2 ARG 126 2HH1 ARG 126 10.062 22.125 14.592 1005 2HH2 ARG 126 1HH1 ARG 126 9.462 21.914 16.194 1006 H ILE 127 H ILE 127 13.604 17.566 12.263 1007 HA ILE 127 HA ILE 127 12.245 16.692 10.587 1008 HB ILE 127 HB ILE 127 10.736 19.345 10.704 1009 1HG1 ILE 127 2HG1 ILE 127 8.946 17.723 11.451 1010 2HG1 ILE 127 1HG1 ILE 127 10.166 16.444 11.455 1011 1HG2 ILE 127 2HG2 ILE 127 10.740 18.633 8.428 1012 2HG2 ILE 127 1HG2 ILE 127 10.168 17.015 8.980 1013 3HG2 ILE 127 3HG2 ILE 127 9.158 18.423 9.112 1014 1HD1 ILE 127 3HD1 ILE 127 10.441 18.715 13.528 1015 2HD1 ILE 127 2HD1 ILE 127 9.460 17.313 13.761 1016 3HD1 ILE 127 1HD1 ILE 127 11.223 17.170 13.436 1017 H PHE 128 H PHE 128 11.947 16.757 8.565 1018 HA PHE 128 HA PHE 128 14.009 17.113 6.923 1019 1HB PHE 128 2HB PHE 128 12.280 16.712 5.157 1020 2HB PHE 128 1HB PHE 128 11.923 15.693 6.483 1021 HD1 PHE 128 HD1 PHE 128 11.134 19.014 4.946 1022 HD2 PHE 128 HD2 PHE 128 9.576 15.878 7.285 1023 HE1 PHE 128 HE1 PHE 128 8.942 20.071 4.752 1024 HE2 PHE 128 HE2 PHE 128 7.321 16.921 7.102 1025 HZ PHE 128 HZ PHE 128 6.993 19.008 5.848 1026 H LYS 129 H LYS 129 14.114 17.823 5.013 1027 HA LYS 129 HA LYS 129 13.301 20.590 4.616 1028 1HB LYS 129 2HB LYS 129 15.979 19.699 3.642 1029 2HB LYS 129 1HB LYS 129 14.990 21.083 3.055 1030 1HG LYS 129 2HG LYS 129 14.808 21.581 5.684 1031 2HG LYS 129 1HG LYS 129 16.212 20.543 5.730 1032 1HD LYS 129 2HD LYS 129 17.218 22.572 5.486 1033 2HD LYS 129 1HD LYS 129 17.231 21.959 3.831 1034 1HE LYS 129 2HE LYS 129 15.451 23.277 3.081 1035 2HE LYS 129 1HE LYS 129 14.913 23.742 4.662 1036 1HZ LYS 129 1HZ LYS 129 17.566 24.531 3.549 1037 2HZ LYS 129 3HZ LYS 129 16.151 25.456 3.355 1038 3HZ LYS 129 2HZ LYS 129 16.757 25.167 4.904 1039 H LYS 130 H LYS 130 12.837 17.529 3.732 1040 HA LYS 130 HA LYS 130 11.951 16.421 1.846 1041 1HB LYS 130 2HB LYS 130 10.113 16.592 2.527 1042 2HB LYS 130 1HB LYS 130 10.088 18.388 2.786 1043 1HG LYS 130 2HG LYS 130 10.148 17.350 0.028 1044 2HG LYS 130 1HG LYS 130 8.834 16.659 0.851 1045 1HD LYS 130 2HD LYS 130 8.603 19.421 1.507 1046 2HD LYS 130 1HD LYS 130 9.152 19.475 -0.162 1047 1HE LYS 130 2HE LYS 130 6.638 19.486 -0.095 1048 2HE LYS 130 1HE LYS 130 7.242 18.096 -0.985 1049 1HZ LYS 130 2HZ LYS 130 6.960 16.811 1.119 1050 2HZ LYS 130 1HZ LYS 130 6.194 18.141 1.792 1051 3HZ LYS 130 3HZ LYS 130 5.537 17.429 0.413 1052 H GLU 131 H GLU 131 11.670 16.269 -0.129 1053 HA GLU 131 HA GLU 131 12.092 18.571 -1.796 1054 1HB GLU 131 2HB GLU 131 14.197 17.809 -0.654 1055 2HB GLU 131 1HB GLU 131 14.352 16.649 -1.489 1056 1HG GLU 131 2HG GLU 131 14.500 18.494 -3.662 1057 2HG GLU 131 1HG GLU 131 14.779 19.516 -2.279 No H/Q in entry = 1057 Start of MODEL 16 1 1H ALA 1 2H ALA 1 3.861 8.317 2.532 2 2H ALA 1 1H ALA 1 3.809 7.624 4.041 3 3H ALA 1 3H ALA 1 2.427 8.175 3.343 4 HA ALA 1 HA ALA 1 2.976 10.371 3.732 5 1HB ALA 1 1HB ALA 1 2.821 8.946 5.921 6 2HB ALA 1 3HB ALA 1 4.550 8.663 5.827 7 3HB ALA 1 2HB ALA 1 3.960 10.351 6.022 8 H PHE 2 H PHE 2 6.076 8.633 4.769 9 HA PHE 2 HA PHE 2 7.834 10.717 3.978 10 1HB PHE 2 2HB PHE 2 9.031 8.214 3.502 11 2HB PHE 2 1HB PHE 2 9.478 9.634 4.551 12 HD1 PHE 2 HD1 PHE 2 7.311 6.574 4.504 13 HD2 PHE 2 HD2 PHE 2 9.351 9.531 6.796 14 HE1 PHE 2 HE1 PHE 2 6.779 5.306 6.610 15 HE2 PHE 2 HE2 PHE 2 8.865 8.360 8.863 16 HZ PHE 2 HZ PHE 2 7.574 6.218 8.783 17 H ASP 3 H ASP 3 7.664 7.721 2.045 18 HA ASP 3 HA ASP 3 9.153 7.896 0.090 19 1HB ASP 3 2HB ASP 3 7.020 7.506 -1.604 20 2HB ASP 3 1HB ASP 3 7.818 6.255 -0.592 21 H GLY 4 H GLY 4 10.045 9.845 -0.043 22 1HA GLY 4 1HA GLY 4 9.443 11.203 -2.555 23 2HA GLY 4 2HA GLY 4 8.938 12.125 -1.177 24 H THR 5 H THR 5 10.201 13.151 -0.072 25 HA THR 5 HA THR 5 13.154 13.360 -0.085 26 HB THR 5 HB THR 5 13.320 15.445 -0.817 27 HG1 THR 5 1HG THR 5 10.557 14.968 -1.339 28 1HG2 THR 5 1HG2 THR 5 13.110 13.323 -2.560 29 2HG2 THR 5 3HG2 THR 5 11.697 14.225 -3.134 30 3HG2 THR 5 2HG2 THR 5 13.328 14.989 -3.218 31 H TRP 6 H TRP 6 13.859 14.542 1.324 32 HA TRP 6 HA TRP 6 12.252 15.842 3.449 33 1HB TRP 6 2HB TRP 6 13.718 13.110 3.267 34 2HB TRP 6 1HB TRP 6 13.343 13.999 4.746 35 HD1 TRP 6 HD1 TRP 6 12.183 11.119 3.111 36 HE1 TRP 6 HE1 TRP 6 9.747 10.594 2.878 37 HE3 TRP 6 HE3 TRP 6 10.492 15.690 4.224 38 HZ2 TRP 6 HZ2 TRP 6 7.173 12.197 3.104 39 HZ3 TRP 6 HZ3 TRP 6 8.137 16.148 4.197 40 HH2 TRP 6 HH2 TRP 6 6.503 14.419 3.644 41 H LYS 7 H LYS 7 13.827 17.079 4.649 42 HA LYS 7 HA LYS 7 16.675 16.245 4.209 43 1HB LYS 7 2HB LYS 7 15.863 19.099 4.162 44 2HB LYS 7 1HB LYS 7 17.262 18.366 3.498 45 1HG LYS 7 2HG LYS 7 15.763 16.932 2.054 46 2HG LYS 7 1HG LYS 7 14.381 17.651 2.372 47 1HD LYS 7 2HD LYS 7 15.045 18.612 0.399 48 2HD LYS 7 1HD LYS 7 15.571 19.936 1.331 49 1HE LYS 7 2HE LYS 7 17.927 18.331 1.347 50 2HE LYS 7 1HE LYS 7 17.192 17.981 -0.196 51 1HZ LYS 7 3HZ LYS 7 17.020 20.486 -0.469 52 2HZ LYS 7 2HZ LYS 7 18.138 20.540 0.812 53 3HZ LYS 7 1HZ LYS 7 18.525 19.796 -0.668 54 H VAL 8 H VAL 8 17.205 15.863 6.439 55 HA VAL 8 HA VAL 8 16.293 17.175 8.661 56 HB VAL 8 HB VAL 8 19.203 16.633 8.430 57 1HG1 VAL 8 1HG1 VAL 8 17.461 18.001 10.457 58 2HG1 VAL 8 3HG1 VAL 8 18.330 16.635 11.131 59 3HG1 VAL 8 2HG1 VAL 8 19.198 18.021 10.378 60 1HG2 VAL 8 1HG2 VAL 8 16.838 15.077 9.528 61 2HG2 VAL 8 3HG2 VAL 8 18.002 14.566 8.250 62 3HG2 VAL 8 2HG2 VAL 8 18.515 14.697 9.951 63 H ASP 9 H ASP 9 15.517 19.032 8.184 64 HA ASP 9 HA ASP 9 16.696 21.378 7.149 65 1HB ASP 9 2HB ASP 9 14.243 20.531 7.499 66 2HB ASP 9 1HB ASP 9 14.466 21.147 9.078 67 H ARG 10 H ARG 10 15.816 20.424 10.434 68 HA ARG 10 HA ARG 10 17.476 22.653 11.474 69 1HB ARG 10 2HB ARG 10 15.424 22.333 13.230 70 2HB ARG 10 1HB ARG 10 15.603 23.633 12.020 71 1HG ARG 10 2HG ARG 10 14.174 21.177 11.010 72 2HG ARG 10 1HG ARG 10 13.305 22.081 12.191 73 1HD ARG 10 2HD ARG 10 14.583 23.545 9.843 74 2HD ARG 10 1HD ARG 10 12.891 22.965 9.825 75 HE ARG 10 HE ARG 10 13.044 24.328 12.174 76 1HH1 ARG 10 1HH2 ARG 10 14.203 25.382 8.963 77 2HH1 ARG 10 2HH2 ARG 10 13.983 27.056 9.375 78 1HH2 ARG 10 2HH1 ARG 10 12.819 26.465 12.574 79 2HH2 ARG 10 1HH1 ARG 10 13.201 27.699 11.391 80 H ASN 11 H ASN 11 17.726 22.147 14.005 81 HA ASN 11 HA ASN 11 17.626 19.252 14.467 82 1HB ASN 11 2HB ASN 11 19.848 18.786 14.619 83 2HB ASN 11 1HB ASN 11 19.742 19.772 13.171 84 1HD2 ASN 11 2HD2 ASN 11 21.658 22.534 14.434 85 2HD2 ASN 11 1HD2 ASN 11 20.326 22.157 13.353 86 H GLU 12 H GLU 12 16.555 19.383 16.208 87 HA GLU 12 HA GLU 12 16.797 21.412 18.256 88 1HB GLU 12 2HB GLU 12 15.135 18.951 18.141 89 2HB GLU 12 1HB GLU 12 15.661 19.511 19.718 90 1HG GLU 12 2HG GLU 12 14.519 21.653 17.953 91 2HG GLU 12 1HG GLU 12 13.404 20.393 18.435 92 H ASN 13 H ASN 13 16.916 18.075 19.443 93 HA ASN 13 HA ASN 13 19.135 18.602 21.212 94 1HB ASN 13 2HB ASN 13 16.876 16.923 21.000 95 2HB ASN 13 1HB ASN 13 18.256 15.895 21.277 96 1HD2 ASN 13 2HD2 ASN 13 16.822 18.597 24.085 97 2HD2 ASN 13 1HD2 ASN 13 16.331 18.615 22.424 98 H TYR 14 H TYR 14 19.327 17.959 18.039 99 HA TYR 14 HA TYR 14 20.836 15.619 17.747 100 1HB TYR 14 2HB TYR 14 19.512 17.002 16.182 101 2HB TYR 14 1HB TYR 14 20.950 17.925 15.920 102 HD1 TYR 14 HD1 TYR 14 19.996 14.322 16.427 103 HD2 TYR 14 HD2 TYR 14 22.357 17.101 14.113 104 HE1 TYR 14 HE1 TYR 14 20.799 12.478 15.057 105 HE2 TYR 14 HE2 TYR 14 23.179 15.245 12.730 106 HH TYR 14 HH TYR 14 22.693 13.067 12.148 107 H GLU 15 H GLU 15 22.207 18.899 18.672 108 HA GLU 15 HA GLU 15 24.860 18.095 17.755 109 1HB GLU 15 2HB GLU 15 24.011 20.413 18.169 110 2HB GLU 15 1HB GLU 15 24.437 20.058 19.886 111 1HG GLU 15 2HG GLU 15 26.771 19.587 19.275 112 2HG GLU 15 1HG GLU 15 26.332 19.531 17.535 113 H LYS 16 H LYS 16 23.041 18.076 20.857 114 HA LYS 16 HA LYS 16 25.274 16.993 22.454 115 1HB LYS 16 2HB LYS 16 23.009 18.438 22.994 116 2HB LYS 16 1HB LYS 16 22.737 16.800 23.702 117 1HG LYS 16 2HG LYS 16 25.472 18.118 23.996 118 2HG LYS 16 1HG LYS 16 24.091 18.779 24.910 119 1HD LYS 16 2HD LYS 16 23.725 16.564 25.906 120 2HD LYS 16 1HD LYS 16 24.868 15.827 24.863 121 1HE LYS 16 2HE LYS 16 25.694 16.370 27.325 122 2HE LYS 16 1HE LYS 16 26.784 16.777 25.993 123 1HZ LYS 16 2HZ LYS 16 24.864 18.679 27.175 124 2HZ LYS 16 1HZ LYS 16 26.501 18.604 27.578 125 3HZ LYS 16 3HZ LYS 16 26.017 18.988 26.001 126 H PHE 17 H PHE 17 22.499 15.555 20.692 127 HA PHE 17 HA PHE 17 22.273 13.045 21.979 128 1HB PHE 17 2HB PHE 17 20.527 13.177 20.702 129 2HB PHE 17 1HB PHE 17 21.266 14.419 19.673 130 HD1 PHE 17 HD2 PHE 17 22.959 13.777 17.952 131 HD2 PHE 17 HD1 PHE 17 20.185 10.991 19.724 132 HE1 PHE 17 HE2 PHE 17 23.219 12.215 16.028 133 HE2 PHE 17 HE1 PHE 17 20.454 9.443 17.795 134 HZ PHE 17 HZ PHE 17 22.020 10.095 15.920 135 H MET 18 H MET 18 24.455 14.506 19.712 136 HA MET 18 HA MET 18 25.673 12.071 18.594 137 1HB MET 18 2HB MET 18 25.974 15.066 18.493 138 2HB MET 18 1HB MET 18 27.382 14.001 18.059 139 1HG MET 18 2HG MET 18 25.914 12.855 16.368 140 2HG MET 18 1HG MET 18 24.553 13.848 16.802 141 1HE MET 18 2HE MET 18 25.020 13.249 14.402 142 2HE MET 18 1HE MET 18 24.957 14.718 13.423 143 3HE MET 18 3HE MET 18 26.476 13.732 13.456 144 H GLU 19 H GLU 19 26.621 14.835 20.509 145 HA GLU 19 HA GLU 19 29.118 14.355 21.325 146 1HB GLU 19 2HB GLU 19 26.942 15.925 22.101 147 2HB GLU 19 1HB GLU 19 27.266 15.060 23.569 148 1HG GLU 19 2HG GLU 19 28.653 16.728 24.054 149 2HG GLU 19 1HG GLU 19 29.808 15.723 23.243 150 H LYS 20 H LYS 20 26.170 13.010 22.816 151 HA LYS 20 HA LYS 20 27.623 11.998 25.066 152 1HB LYS 20 2HB LYS 20 24.868 11.349 24.187 153 2HB LYS 20 1HB LYS 20 25.588 11.188 25.825 154 1HG LYS 20 2HG LYS 20 25.835 13.932 24.700 155 2HG LYS 20 1HG LYS 20 24.131 13.404 25.114 156 1HD LYS 20 2HD LYS 20 24.776 14.120 27.123 157 2HD LYS 20 1HD LYS 20 25.272 12.448 27.233 158 1HE LYS 20 2HE LYS 20 27.424 13.995 26.044 159 2HE LYS 20 1HE LYS 20 26.933 14.750 27.649 160 1HZ LYS 20 2HZ LYS 20 27.056 12.556 28.556 161 2HZ LYS 20 1HZ LYS 20 27.749 11.985 27.115 162 3HZ LYS 20 3HZ LYS 20 28.560 13.140 28.002 163 H MET 21 H MET 21 26.751 10.503 21.897 164 HA MET 21 HA MET 21 27.052 7.768 22.874 165 1HB MET 21 2HB MET 21 27.513 8.196 20.043 166 2HB MET 21 1HB MET 21 26.582 6.957 20.928 167 1HG MET 21 2HG MET 21 25.176 9.309 21.447 168 2HG MET 21 1HG MET 21 25.697 9.513 19.739 169 1HE MET 21 2HE MET 21 23.264 9.804 19.164 170 2HE MET 21 1HE MET 21 21.916 8.681 19.483 171 3HE MET 21 3HE MET 21 22.711 9.585 20.843 172 H GLY 22 H GLY 22 29.233 10.193 22.553 173 1HA GLY 22 1HA GLY 22 31.460 9.780 23.211 174 2HA GLY 22 2HA GLY 22 31.585 8.375 22.183 175 H ILE 23 H ILE 23 29.948 11.472 21.316 176 HA ILE 23 HA ILE 23 31.739 11.737 18.977 177 HB ILE 23 HB ILE 23 29.198 13.069 19.880 178 1HG1 ILE 23 2HG1 ILE 23 28.192 12.036 18.117 179 2HG1 ILE 23 1HG1 ILE 23 29.699 11.782 17.185 180 1HG2 ILE 23 2HG2 ILE 23 30.742 14.845 18.911 181 2HG2 ILE 23 1HG2 ILE 23 30.855 13.840 17.448 182 3HG2 ILE 23 3HG2 ILE 23 29.290 14.550 17.968 183 1HD1 ILE 23 3HD1 ILE 23 29.032 10.261 19.805 184 2HD1 ILE 23 2HD1 ILE 23 28.702 9.654 18.192 185 3HD1 ILE 23 1HD1 ILE 23 30.375 9.992 18.649 186 H ASN 24 H ASN 24 33.629 12.877 19.259 187 HA ASN 24 HA ASN 24 34.003 14.638 21.591 188 1HB ASN 24 2HB ASN 24 36.122 14.300 19.678 189 2HB ASN 24 1HB ASN 24 36.103 14.741 21.376 190 1HD2 ASN 24 2HD2 ASN 24 36.368 10.876 20.367 191 2HD2 ASN 24 1HD2 ASN 24 36.369 12.144 19.165 192 H VAL 25 H VAL 25 35.701 16.496 20.792 193 HA VAL 25 HA VAL 25 33.926 18.520 19.874 194 HB VAL 25 HB VAL 25 35.133 20.147 20.279 195 1HG1 VAL 25 3HG1 VAL 25 34.106 18.235 22.073 196 2HG1 VAL 25 2HG1 VAL 25 35.739 18.531 22.699 197 3HG1 VAL 25 1HG1 VAL 25 34.603 19.893 22.477 198 1HG2 VAL 25 3HG2 VAL 25 37.370 17.965 20.628 199 2HG2 VAL 25 2HG2 VAL 25 37.534 19.593 19.951 200 3HG2 VAL 25 1HG2 VAL 25 37.417 19.330 21.715 201 H VAL 26 H VAL 26 36.158 16.586 17.964 202 HA VAL 26 HA VAL 26 36.863 18.438 15.977 203 HB VAL 26 HB VAL 26 38.039 16.437 16.157 204 1HG1 VAL 26 2HG1 VAL 26 35.302 15.123 15.847 205 2HG1 VAL 26 1HG1 VAL 26 36.705 14.327 15.177 206 3HG1 VAL 26 3HG1 VAL 26 36.637 14.694 16.922 207 1HG2 VAL 26 2HG2 VAL 26 37.317 17.611 13.815 208 2HG2 VAL 26 1HG2 VAL 26 38.056 16.012 13.753 209 3HG2 VAL 26 3HG2 VAL 26 36.314 16.160 13.609 210 H LYS 27 H LYS 27 33.950 16.911 16.820 211 HA LYS 27 HA LYS 27 32.531 17.208 14.284 212 1HB LYS 27 2HB LYS 27 31.958 15.388 15.331 213 2HB LYS 27 1HB LYS 27 32.064 16.105 16.961 214 1HG LYS 27 2HG LYS 27 29.888 17.268 15.168 215 2HG LYS 27 1HG LYS 27 29.658 15.637 15.530 216 1HD LYS 27 2HD LYS 27 28.603 16.264 17.345 217 2HD LYS 27 1HD LYS 27 30.154 16.582 18.101 218 1HE LYS 27 2HE LYS 27 28.966 18.876 16.475 219 2HE LYS 27 1HE LYS 27 28.083 18.370 17.870 220 1HZ LYS 27 3HZ LYS 27 30.946 19.093 17.953 221 2HZ LYS 27 2HZ LYS 27 29.673 20.187 18.223 222 3HZ LYS 27 1HZ LYS 27 29.901 18.915 19.283 223 H ARG 28 H ARG 28 33.347 19.110 17.048 224 HA ARG 28 HA ARG 28 31.227 20.885 17.327 225 1HB ARG 28 2HB ARG 28 33.316 20.756 18.724 226 2HB ARG 28 1HB ARG 28 33.987 21.975 17.546 227 1HG ARG 28 2HG ARG 28 31.715 23.194 17.957 228 2HG ARG 28 1HG ARG 28 31.565 22.114 19.314 229 1HD ARG 28 2HD ARG 28 33.126 23.269 20.577 230 2HD ARG 28 1HD ARG 28 34.262 23.297 19.324 231 HE ARG 28 HE ARG 28 32.522 25.242 18.537 232 1HH1 ARG 28 2HH2 ARG 28 34.171 24.622 21.667 233 2HH1 ARG 28 1HH2 ARG 28 34.205 26.319 22.078 234 1HH2 ARG 28 1HH1 ARG 28 32.612 27.468 19.224 235 2HH2 ARG 28 2HH1 ARG 28 33.358 27.829 20.748 236 H LYS 29 H LYS 29 33.580 20.424 14.895 237 HA LYS 29 HA LYS 29 33.722 23.008 13.559 238 1HB LYS 29 2HB LYS 29 34.416 20.207 12.887 239 2HB LYS 29 1HB LYS 29 34.396 21.540 11.672 240 1HG LYS 29 2HG LYS 29 36.667 21.721 12.506 241 2HG LYS 29 1HG LYS 29 35.722 22.888 13.460 242 1HD LYS 29 2HD LYS 29 35.841 21.599 15.426 243 2HD LYS 29 1HD LYS 29 36.218 20.119 14.559 244 1HE LYS 29 2HE LYS 29 38.442 20.591 14.394 245 2HE LYS 29 1HE LYS 29 38.178 22.294 14.060 246 1HZ LYS 29 2HZ LYS 29 37.699 21.250 16.745 247 2HZ LYS 29 1HZ LYS 29 39.280 21.604 16.193 248 3HZ LYS 29 3HZ LYS 29 38.091 22.810 16.297 249 H LEU 30 H LEU 30 32.348 23.794 12.018 250 HA LEU 30 HA LEU 30 30.649 23.828 10.427 251 1HB LEU 30 2HB LEU 30 30.022 20.905 10.673 252 2HB LEU 30 1HB LEU 30 29.769 22.052 9.373 253 HG LEU 30 HG LEU 30 32.589 21.914 9.924 254 1HD1 LEU 30 1HD1 LEU 30 31.141 19.269 10.100 255 2HD1 LEU 30 3HD1 LEU 30 32.532 19.257 9.007 256 3HD1 LEU 30 2HD1 LEU 30 32.758 19.683 10.683 257 1HD2 LEU 30 2HD2 LEU 30 30.940 20.927 7.537 258 2HD2 LEU 30 1HD2 LEU 30 31.756 22.477 7.652 259 3HD2 LEU 30 3HD2 LEU 30 32.731 20.986 7.559 260 H GLY 31 H GLY 31 29.861 21.237 12.870 261 1HA GLY 31 1HA GLY 31 28.473 21.710 14.758 262 2HA GLY 31 2HA GLY 31 27.515 22.829 13.785 263 H ALA 32 H ALA 32 27.183 19.977 15.213 264 HA ALA 32 HA ALA 32 25.915 17.997 14.731 265 1HB ALA 32 3HB ALA 32 24.669 19.878 12.714 266 2HB ALA 32 2HB ALA 32 23.998 18.309 13.241 267 3HB ALA 32 1HB ALA 32 24.224 19.656 14.419 268 H HIS 33 H HIS 33 25.085 17.703 11.656 269 HA HIS 33 HA HIS 33 27.571 17.424 10.265 270 1HB HIS 33 2HB HIS 33 26.431 15.061 11.759 271 2HB HIS 33 1HB HIS 33 26.759 14.717 10.052 272 HD1 HIS 33 HD1 HIS 33 28.524 13.228 12.010 273 HD2 HIS 33 HD2 HIS 33 29.470 17.111 10.577 274 HE1 HIS 33 HE1 HIS 33 30.961 13.540 12.291 275 HE2 HIS 33 HE2 HIS 33 31.552 15.916 11.413 276 H ASP 34 H ASP 34 24.887 14.996 9.939 277 HA ASP 34 HA ASP 34 24.347 16.044 7.299 278 1HB ASP 34 2HB ASP 34 22.957 14.396 6.854 279 2HB ASP 34 1HB ASP 34 24.026 13.702 8.031 280 H ASN 35 H ASN 35 23.166 17.525 6.640 281 HA ASN 35 HA ASN 35 20.898 18.560 8.351 282 1HB ASN 35 2HB ASN 35 23.073 20.000 8.169 283 2HB ASN 35 1HB ASN 35 22.548 20.310 6.483 284 1HD2 ASN 35 2HD2 ASN 35 20.289 21.800 9.636 285 2HD2 ASN 35 1HD2 ASN 35 21.278 20.357 9.880 286 H LEU 36 H LEU 36 21.033 16.584 5.830 287 HA LEU 36 HA LEU 36 19.001 18.324 4.653 288 1HB LEU 36 2HB LEU 36 19.576 18.848 2.702 289 2HB LEU 36 1HB LEU 36 20.948 19.234 3.678 290 HG LEU 36 HG LEU 36 21.244 16.554 2.515 291 1HD1 LEU 36 3HD1 LEU 36 20.358 18.756 0.609 292 2HD1 LEU 36 2HD1 LEU 36 21.766 17.865 0.073 293 3HD1 LEU 36 1HD1 LEU 36 20.245 17.020 0.352 294 1HD2 LEU 36 2HD2 LEU 36 22.478 19.361 2.303 295 2HD2 LEU 36 1HD2 LEU 36 23.093 18.140 3.384 296 3HD2 LEU 36 3HD2 LEU 36 23.320 17.926 1.608 297 H LYS 37 H LYS 37 19.120 16.993 1.964 298 HA LYS 37 HA LYS 37 16.908 15.575 2.462 299 1HB LYS 37 2HB LYS 37 18.161 16.376 0.129 300 2HB LYS 37 1HB LYS 37 18.151 14.628 -0.028 301 1HG LYS 37 2HG LYS 37 15.586 14.972 0.686 302 2HG LYS 37 1HG LYS 37 15.978 16.636 0.235 303 1HD LYS 37 2HD LYS 37 16.249 14.116 -1.458 304 2HD LYS 37 1HD LYS 37 15.024 15.365 -1.661 305 1HE LYS 37 2HE LYS 37 17.412 16.851 -1.821 306 2HE LYS 37 1HE LYS 37 17.919 15.358 -2.535 307 1HZ LYS 37 2HZ LYS 37 15.366 16.153 -3.544 308 2HZ LYS 37 1HZ LYS 37 16.539 17.364 -3.779 309 3HZ LYS 37 3HZ LYS 37 16.795 15.788 -4.373 310 H LEU 38 H LEU 38 17.107 14.331 4.136 311 HA LEU 38 HA LEU 38 18.564 11.868 4.310 312 1HB LEU 38 2HB LEU 38 16.352 12.940 5.787 313 2HB LEU 38 1HB LEU 38 15.560 12.077 4.610 314 HG LEU 38 HG LEU 38 15.699 11.055 6.837 315 1HD1 LEU 38 1HD1 LEU 38 15.552 9.527 4.743 316 2HD1 LEU 38 3HD1 LEU 38 17.343 9.384 4.831 317 3HD1 LEU 38 2HD1 LEU 38 16.325 8.667 6.073 318 1HD2 LEU 38 1HD2 LEU 38 18.611 11.449 6.257 319 2HD2 LEU 38 3HD2 LEU 38 17.778 11.567 7.819 320 3HD2 LEU 38 2HD2 LEU 38 18.189 9.953 7.166 321 H THR 39 H THR 39 15.598 13.082 2.990 322 HA THR 39 HA THR 39 14.214 12.714 1.391 323 HB THR 39 HB THR 39 16.247 10.977 -0.129 324 HG1 THR 39 1HG THR 39 16.488 13.400 0.955 325 1HG2 THR 39 3HG2 THR 39 13.905 11.700 -1.092 326 2HG2 THR 39 2HG2 THR 39 14.580 13.327 -1.311 327 3HG2 THR 39 1HG2 THR 39 15.343 12.002 -2.134 328 H ILE 40 H ILE 40 12.690 10.791 0.575 329 HA ILE 40 HA ILE 40 13.716 8.134 1.491 330 HB ILE 40 HB ILE 40 11.121 9.169 2.599 331 1HG1 ILE 40 2HG1 ILE 40 13.735 8.291 3.997 332 2HG1 ILE 40 1HG1 ILE 40 13.473 9.927 3.715 333 1HG2 ILE 40 1HG2 ILE 40 11.472 6.597 1.919 334 2HG2 ILE 40 3HG2 ILE 40 12.325 6.655 3.471 335 3HG2 ILE 40 2HG2 ILE 40 10.642 7.096 3.428 336 1HD1 ILE 40 3HD1 ILE 40 11.347 8.471 5.341 337 2HD1 ILE 40 2HD1 ILE 40 12.844 9.136 6.066 338 3HD1 ILE 40 1HD1 ILE 40 11.678 10.190 5.249 339 H THR 41 H THR 41 13.167 6.419 0.272 340 HA THR 41 HA THR 41 10.807 6.761 -1.593 341 HB THR 41 HB THR 41 13.477 5.874 -2.622 342 HG1 THR 41 1HG THR 41 13.538 7.812 -3.522 343 1HG2 THR 41 3HG2 THR 41 11.386 5.035 -3.819 344 2HG2 THR 41 2HG2 THR 41 10.863 6.737 -3.988 345 3HG2 THR 41 1HG2 THR 41 12.337 6.176 -4.824 346 H GLN 42 H GLN 42 9.700 5.281 -0.514 347 HA GLN 42 HA GLN 42 10.322 2.830 0.529 348 1HB GLN 42 2HB GLN 42 8.043 4.273 -0.529 349 2HB GLN 42 1HB GLN 42 7.937 2.622 -1.122 350 1HG GLN 42 2HG GLN 42 8.343 3.192 1.871 351 2HG GLN 42 1HG GLN 42 6.780 3.348 1.122 352 1HE2 GLN 42 2HE2 GLN 42 6.512 -0.173 0.226 353 2HE2 GLN 42 1HE2 GLN 42 6.327 1.392 -0.502 354 H GLU 43 H GLU 43 10.468 0.757 -0.325 355 HA GLU 43 HA GLU 43 10.351 0.313 -3.267 356 1HB GLU 43 2HB GLU 43 12.766 0.807 -1.693 357 2HB GLU 43 1HB GLU 43 12.833 -0.833 -2.238 358 1HG GLU 43 2HG GLU 43 12.017 0.685 -4.513 359 2HG GLU 43 1HG GLU 43 13.370 1.606 -3.665 360 H GLY 44 H GLY 44 8.539 -0.506 -1.305 361 1HA GLY 44 1HA GLY 44 7.542 -2.516 -0.505 362 2HA GLY 44 2HA GLY 44 8.628 -3.376 -1.670 363 H ASN 45 H ASN 45 8.535 -1.520 1.313 364 HA ASN 45 HA ASN 45 9.287 -1.871 3.375 365 1HB ASN 45 2HB ASN 45 10.954 -4.236 2.339 366 2HB ASN 45 1HB ASN 45 10.733 -3.744 4.049 367 1HD2 ASN 45 1HD2 ASN 45 7.767 -5.596 4.439 368 2HD2 ASN 45 2HD2 ASN 45 9.113 -4.780 5.143 369 H LYS 46 H LYS 46 12.260 -2.983 1.642 370 HA LYS 46 HA LYS 46 14.078 -1.078 2.644 371 1HB LYS 46 2HB LYS 46 15.330 -2.231 1.317 372 2HB LYS 46 1HB LYS 46 13.954 -2.726 0.282 373 1HG LYS 46 2HG LYS 46 14.336 -0.354 -0.867 374 2HG LYS 46 1HG LYS 46 15.842 -0.325 0.071 375 1HD LYS 46 2HD LYS 46 15.361 -1.499 -2.456 376 2HD LYS 46 1HD LYS 46 16.830 -1.575 -1.513 377 1HE LYS 46 2HE LYS 46 15.829 -3.671 -0.375 378 2HE LYS 46 1HE LYS 46 14.507 -3.615 -1.515 379 1HZ LYS 46 2HZ LYS 46 16.201 -3.747 -3.288 380 2HZ LYS 46 1HZ LYS 46 17.372 -4.018 -2.128 381 3HZ LYS 46 3HZ LYS 46 16.070 -5.108 -2.301 382 H PHE 47 H PHE 47 14.929 0.749 1.740 383 HA PHE 47 HA PHE 47 13.352 2.014 -0.371 384 1HB PHE 47 2HB PHE 47 12.636 3.944 0.808 385 2HB PHE 47 1HB PHE 47 11.939 2.562 1.587 386 HD1 PHE 47 HD2 PHE 47 15.177 2.414 2.900 387 HD2 PHE 47 HD1 PHE 47 11.640 4.750 3.130 388 HE1 PHE 47 HE2 PHE 47 15.881 3.094 5.085 389 HE2 PHE 47 HE1 PHE 47 12.289 5.495 5.330 390 HZ PHE 47 HZ PHE 47 14.443 4.694 6.403 391 H THR 48 H THR 48 14.347 3.259 -1.565 392 HA THR 48 HA THR 48 17.155 3.794 -1.330 393 HB THR 48 HB THR 48 15.190 5.042 -3.275 394 HG1 THR 48 1HG THR 48 15.455 2.554 -2.975 395 1HG2 THR 48 3HG2 THR 48 18.253 4.459 -3.405 396 2HG2 THR 48 2HG2 THR 48 17.284 4.780 -4.848 397 3HG2 THR 48 1HG2 THR 48 17.436 6.009 -3.561 398 H VAL 49 H VAL 49 16.991 4.921 0.733 399 HA VAL 49 HA VAL 49 15.649 7.606 0.624 400 HB VAL 49 HB VAL 49 16.105 7.826 2.915 401 1HG1 VAL 49 1HG1 VAL 49 14.895 5.532 2.301 402 2HG1 VAL 49 3HG1 VAL 49 16.335 4.898 3.179 403 3HG1 VAL 49 2HG1 VAL 49 15.236 6.042 3.968 404 1HG2 VAL 49 3HG2 VAL 49 18.650 6.281 2.347 405 2HG2 VAL 49 2HG2 VAL 49 18.377 7.791 3.255 406 3HG2 VAL 49 1HG2 VAL 49 17.964 6.185 3.947 407 H LYS 50 H LYS 50 17.010 9.515 0.628 408 HA LYS 50 HA LYS 50 19.569 8.844 -0.816 409 1HB LYS 50 2HB LYS 50 18.297 11.537 -0.270 410 2HB LYS 50 1HB LYS 50 19.855 11.305 -1.085 411 1HG LYS 50 2HG LYS 50 18.935 10.456 -3.031 412 2HG LYS 50 1HG LYS 50 17.289 10.153 -2.308 413 1HD LYS 50 2HD LYS 50 16.858 12.072 -3.288 414 2HD LYS 50 1HD LYS 50 17.730 12.823 -1.847 415 1HE LYS 50 2HE LYS 50 18.734 13.771 -3.724 416 2HE LYS 50 1HE LYS 50 19.847 12.422 -3.347 417 1HZ LYS 50 2HZ LYS 50 18.249 11.087 -4.806 418 2HZ LYS 50 1HZ LYS 50 17.891 12.598 -5.513 419 3HZ LYS 50 3HZ LYS 50 19.490 12.012 -5.467 420 H GLU 51 H GLU 51 19.822 11.815 0.764 421 HA GLU 51 HA GLU 51 20.386 12.286 2.983 422 1HB GLU 51 2HB GLU 51 20.787 9.530 3.451 423 2HB GLU 51 1HB GLU 51 22.295 9.809 2.705 424 1HG GLU 51 2HG GLU 51 23.076 11.120 4.445 425 2HG GLU 51 1HG GLU 51 21.443 11.596 4.978 426 H SER 52 H SER 52 20.990 13.324 0.752 427 HA SER 52 HA SER 52 24.002 13.064 0.510 428 1HB SER 52 2HB SER 52 21.858 14.086 -1.326 429 2HB SER 52 1HB SER 52 23.458 14.916 -1.305 430 HG SER 52 HG SER 52 24.271 13.258 -2.233 431 H SER 53 H SER 53 23.890 13.767 2.794 432 HA SER 53 HA SER 53 22.887 16.272 3.467 433 1HB SER 53 2HB SER 53 24.925 16.019 5.243 434 2HB SER 53 1HB SER 53 23.235 15.547 5.370 435 HG SER 53 HG SER 53 23.839 13.533 5.288 436 H ASN 54 H ASN 54 25.079 17.797 4.650 437 HA ASN 54 HA ASN 54 26.081 19.224 2.416 438 1HB ASN 54 2HB ASN 54 25.817 19.776 4.920 439 2HB ASN 54 1HB ASN 54 27.463 19.172 5.097 440 1HD2 ASN 54 1HD2 ASN 54 28.348 22.634 4.408 441 2HD2 ASN 54 2HD2 ASN 54 28.162 21.487 5.693 442 H PHE 55 H PHE 55 27.139 16.043 2.929 443 HA PHE 55 HA PHE 55 29.498 16.530 1.505 444 1HB PHE 55 2HB PHE 55 30.788 15.276 3.580 445 2HB PHE 55 1HB PHE 55 30.901 17.051 3.176 446 HD1 PHE 55 HD2 PHE 55 29.306 14.478 5.339 447 HD2 PHE 55 HD1 PHE 55 29.889 18.693 4.726 448 HE1 PHE 55 HE2 PHE 55 28.350 14.914 7.572 449 HE2 PHE 55 HE1 PHE 55 28.960 19.125 6.894 450 HZ PHE 55 HZ PHE 55 28.162 17.292 8.373 451 H ARG 56 H ARG 56 27.669 14.379 3.645 452 HA ARG 56 HA ARG 56 29.017 12.011 2.632 453 1HB ARG 56 2HB ARG 56 26.505 12.417 4.341 454 2HB ARG 56 1HB ARG 56 27.043 10.836 3.780 455 1HG ARG 56 2HG ARG 56 28.634 12.711 5.617 456 2HG ARG 56 1HG ARG 56 27.772 11.271 6.103 457 1HD ARG 56 2HD ARG 56 29.346 10.253 4.075 458 2HD ARG 56 1HD ARG 56 30.380 11.563 4.621 459 HE ARG 56 HE ARG 56 30.839 10.245 6.459 460 1HH1 ARG 56 1HH2 ARG 56 27.506 9.446 5.337 461 2HH1 ARG 56 2HH2 ARG 56 27.357 8.238 6.580 462 1HH2 ARG 56 2HH1 ARG 56 30.456 8.632 8.005 463 2HH2 ARG 56 1HH1 ARG 56 29.002 7.723 8.108 464 H ASN 57 H ASN 57 28.395 13.194 0.459 465 HA ASN 57 HA ASN 57 25.691 13.049 -0.385 466 1HB ASN 57 2HB ASN 57 26.506 13.747 -2.435 467 2HB ASN 57 1HB ASN 57 27.776 14.321 -1.319 468 1HD2 ASN 57 1HD2 ASN 57 28.653 11.319 -3.968 469 2HD2 ASN 57 2HD2 ASN 57 27.030 11.827 -3.688 470 H ILE 58 H ILE 58 24.635 11.223 -0.212 471 HA ILE 58 HA ILE 58 25.322 8.884 -1.691 472 HB ILE 58 HB ILE 58 26.798 8.892 0.630 473 1HG1 ILE 58 2HG1 ILE 58 26.589 6.331 0.452 474 2HG1 ILE 58 1HG1 ILE 58 25.639 6.645 -1.008 475 1HG2 ILE 58 3HG2 ILE 58 24.671 8.866 2.067 476 2HG2 ILE 58 2HG2 ILE 58 24.242 7.301 1.319 477 3HG2 ILE 58 1HG2 ILE 58 25.721 7.455 2.243 478 1HD1 ILE 58 2HD1 ILE 58 27.656 8.164 -1.734 479 2HD1 ILE 58 1HD1 ILE 58 28.526 7.476 -0.364 480 3HD1 ILE 58 3HD1 ILE 58 27.959 6.419 -1.682 481 H ASP 59 H ASP 59 23.838 7.251 -1.420 482 HA ASP 59 HA ASP 59 21.390 8.245 -0.074 483 1HB ASP 59 2HB ASP 59 21.207 8.453 -2.556 484 2HB ASP 59 1HB ASP 59 21.995 6.894 -2.706 485 H VAL 60 H VAL 60 20.277 6.433 1.018 486 HA VAL 60 HA VAL 60 21.839 3.866 0.969 487 HB VAL 60 HB VAL 60 20.393 5.380 3.143 488 1HG1 VAL 60 3HG1 VAL 60 20.293 2.656 3.047 489 2HG1 VAL 60 2HG1 VAL 60 21.875 2.862 3.859 490 3HG1 VAL 60 1HG1 VAL 60 20.433 3.588 4.575 491 1HG2 VAL 60 2HG2 VAL 60 23.021 5.527 2.257 492 2HG2 VAL 60 1HG2 VAL 60 22.579 5.893 3.947 493 3HG2 VAL 60 3HG2 VAL 60 23.176 4.259 3.481 494 H VAL 61 H VAL 61 20.825 2.038 0.896 495 HA VAL 61 HA VAL 61 17.870 1.958 0.764 496 HB VAL 61 HB VAL 61 19.232 0.268 -1.201 497 1HG1 VAL 61 2HG1 VAL 61 16.594 1.302 -0.702 498 2HG1 VAL 61 1HG1 VAL 61 17.112 2.040 -2.201 499 3HG1 VAL 61 3HG1 VAL 61 17.099 0.257 -2.079 500 1HG2 VAL 61 3HG2 VAL 61 19.280 3.323 -1.492 501 2HG2 VAL 61 2HG2 VAL 61 20.560 2.126 -1.767 502 3HG2 VAL 61 1HG2 VAL 61 19.253 2.248 -2.931 503 H PHE 62 H PHE 62 17.372 0.629 2.292 504 HA PHE 62 HA PHE 62 18.478 -2.097 2.049 505 1HB PHE 62 2HB PHE 62 18.922 -2.220 4.537 506 2HB PHE 62 1HB PHE 62 20.189 -1.666 3.412 507 HD1 PHE 62 HD2 PHE 62 17.434 0.211 5.308 508 HD2 PHE 62 HD1 PHE 62 21.585 -0.176 4.449 509 HE1 PHE 62 HE2 PHE 62 17.884 2.158 6.707 510 HE2 PHE 62 HE1 PHE 62 22.058 1.771 5.855 511 HZ PHE 62 HZ PHE 62 20.170 2.947 6.994 512 H GLU 63 H GLU 63 17.201 -3.550 2.662 513 HA GLU 63 HA GLU 63 14.383 -3.205 2.963 514 1HB GLU 63 2HB GLU 63 16.017 -5.626 3.957 515 2HB GLU 63 1HB GLU 63 14.195 -5.433 3.895 516 1HG GLU 63 2HG GLU 63 14.504 -4.976 1.372 517 2HG GLU 63 1HG GLU 63 16.192 -5.341 1.549 518 H LEU 64 H LEU 64 13.967 -1.601 4.401 519 HA LEU 64 HA LEU 64 13.665 -0.508 6.371 520 1HB LEU 64 2HB LEU 64 13.426 -3.422 7.261 521 2HB LEU 64 1HB LEU 64 13.026 -2.000 8.257 522 HG LEU 64 HG LEU 64 11.227 -3.378 6.774 523 1HD1 LEU 64 2HD1 LEU 64 11.426 -0.799 8.280 524 2HD1 LEU 64 1HD1 LEU 64 10.090 -0.818 7.075 525 3HD1 LEU 64 3HD1 LEU 64 10.198 -2.031 8.377 526 1HD2 LEU 64 3HD2 LEU 64 11.931 -0.736 5.225 527 2HD2 LEU 64 2HD2 LEU 64 11.982 -2.392 4.578 528 3HD2 LEU 64 1HD2 LEU 64 10.439 -1.649 4.955 529 H GLY 65 H GLY 65 14.974 -3.046 8.425 530 1HA GLY 65 1HA GLY 65 17.162 -1.100 9.044 531 2HA GLY 65 2HA GLY 65 16.473 -2.262 10.077 532 H VAL 66 H VAL 66 17.329 -4.657 9.663 533 HA VAL 66 HA VAL 66 18.939 -6.164 9.281 534 HB VAL 66 HB VAL 66 19.886 -6.451 7.241 535 1HG1 VAL 66 3HG1 VAL 66 17.342 -5.973 7.255 536 2HG1 VAL 66 2HG1 VAL 66 17.742 -4.495 6.325 537 3HG1 VAL 66 1HG1 VAL 66 18.134 -6.118 5.703 538 1HG2 VAL 66 2HG2 VAL 66 20.670 -3.629 7.258 539 2HG2 VAL 66 1HG2 VAL 66 21.185 -4.938 6.222 540 3HG2 VAL 66 3HG2 VAL 66 19.760 -3.982 5.771 541 H ASP 67 H ASP 67 20.775 -6.472 10.315 542 HA ASP 67 HA ASP 67 21.890 -4.448 11.872 543 1HB ASP 67 2HB ASP 67 23.627 -5.905 12.525 544 2HB ASP 67 1HB ASP 67 21.949 -6.365 12.791 545 H PHE 68 H PHE 68 24.007 -3.627 12.102 546 HA PHE 68 HA PHE 68 25.376 -3.282 9.466 547 1HB PHE 68 2HB PHE 68 24.269 -0.985 11.015 548 2HB PHE 68 1HB PHE 68 25.565 -0.809 9.801 549 HD1 PHE 68 HD2 PHE 68 25.021 -2.294 7.543 550 HD2 PHE 68 HD1 PHE 68 22.072 -0.619 10.251 551 HE1 PHE 68 HE2 PHE 68 23.309 -2.400 5.755 552 HE2 PHE 68 HE1 PHE 68 20.367 -0.709 8.487 553 HZ PHE 68 HZ PHE 68 21.003 -1.595 6.304 554 H ALA 69 H ALA 69 25.847 -1.244 12.195 555 HA ALA 69 HA ALA 69 27.476 -1.206 13.913 556 1HB ALA 69 2HB ALA 69 28.038 -3.694 13.270 557 2HB ALA 69 1HB ALA 69 29.260 -2.960 12.189 558 3HB ALA 69 3HB ALA 69 29.377 -2.665 13.935 559 H TYR 70 H TYR 70 26.741 0.433 11.985 560 HA TYR 70 HA TYR 70 29.317 1.682 11.057 561 1HB TYR 70 2HB TYR 70 28.322 1.529 9.024 562 2HB TYR 70 1HB TYR 70 26.765 0.980 9.688 563 HD1 TYR 70 HD1 TYR 70 28.759 4.115 9.135 564 HD2 TYR 70 HD2 TYR 70 24.784 2.482 9.668 565 HE1 TYR 70 HE1 TYR 70 27.778 6.265 8.614 566 HE2 TYR 70 HE2 TYR 70 23.831 4.668 9.143 567 HH TYR 70 HH TYR 70 24.176 6.735 8.567 568 H SER 71 H SER 71 29.723 3.329 12.288 569 HA SER 71 HA SER 71 28.260 4.469 14.353 570 1HB SER 71 2HB SER 71 29.963 5.782 14.532 571 2HB SER 71 1HB SER 71 30.740 4.932 13.243 572 HG SER 71 HG SER 71 30.267 6.458 11.850 573 H LEU 72 H LEU 72 27.557 6.504 14.619 574 HA LEU 72 HA LEU 72 25.437 7.301 12.761 575 1HB LEU 72 2HB LEU 72 24.707 7.141 15.081 576 2HB LEU 72 1HB LEU 72 26.237 7.774 15.641 577 HG LEU 72 HG LEU 72 23.818 9.037 15.470 578 1HD1 LEU 72 3HD1 LEU 72 26.450 9.858 16.134 579 2HD1 LEU 72 2HD1 LEU 72 25.756 11.171 15.198 580 3HD1 LEU 72 1HD1 LEU 72 24.879 10.566 16.650 581 1HD2 LEU 72 3HD2 LEU 72 24.314 8.998 12.811 582 2HD2 LEU 72 2HD2 LEU 72 23.445 10.319 13.576 583 3HD2 LEU 72 1HD2 LEU 72 25.168 10.485 13.151 584 H ALA 73 H ALA 73 26.989 8.103 11.166 585 HA ALA 73 HA ALA 73 28.588 9.456 10.208 586 1HB ALA 73 2HB ALA 73 26.396 10.501 10.031 587 2HB ALA 73 1HB ALA 73 26.840 11.550 11.386 588 3HB ALA 73 3HB ALA 73 27.818 11.623 9.874 589 H ASP 74 H ASP 74 29.949 8.580 12.237 590 HA ASP 74 HA ASP 74 32.096 9.146 13.113 591 1HB ASP 74 2HB ASP 74 31.267 11.882 13.271 592 2HB ASP 74 1HB ASP 74 32.689 11.182 14.103 593 H GLY 75 H GLY 75 29.743 7.980 14.318 594 1HA GLY 75 1HA GLY 75 30.163 8.799 17.157 595 2HA GLY 75 2HA GLY 75 28.600 8.234 16.562 596 H THR 76 H THR 76 31.833 6.929 15.758 597 HA THR 76 HA THR 76 32.835 4.953 16.262 598 HB THR 76 HB THR 76 31.806 5.819 18.559 599 HG1 THR 76 1HG THR 76 33.702 5.141 18.665 600 1HG2 THR 76 1HG2 THR 76 30.883 2.870 18.150 601 2HG2 THR 76 3HG2 THR 76 31.263 3.437 19.753 602 3HG2 THR 76 2HG2 THR 76 29.916 4.172 18.889 603 H GLU 77 H GLU 77 29.197 4.318 16.820 604 HA GLU 77 HA GLU 77 29.087 2.512 14.542 605 1HB GLU 77 2HB GLU 77 29.726 1.603 17.322 606 2HB GLU 77 1HB GLU 77 28.637 0.598 16.482 607 1HG GLU 77 2HG GLU 77 30.376 -0.543 15.445 608 2HG GLU 77 1HG GLU 77 30.801 0.967 14.617 609 H LEU 78 H LEU 78 27.032 1.687 14.297 610 HA LEU 78 HA LEU 78 25.022 1.655 16.466 611 1HB LEU 78 2HB LEU 78 24.868 2.666 13.510 612 2HB LEU 78 1HB LEU 78 23.501 1.790 14.153 613 HG LEU 78 HG LEU 78 23.872 3.913 16.016 614 1HD1 LEU 78 3HD1 LEU 78 24.576 4.532 13.215 615 2HD1 LEU 78 2HD1 LEU 78 23.501 5.671 14.022 616 3HD1 LEU 78 1HD1 LEU 78 25.139 5.341 14.691 617 1HD2 LEU 78 1HD2 LEU 78 21.921 3.013 13.840 618 2HD2 LEU 78 3HD2 LEU 78 21.570 3.448 15.549 619 3HD2 LEU 78 2HD2 LEU 78 21.774 4.710 14.357 620 H THR 79 H THR 79 25.021 -0.583 16.647 621 HA THR 79 HA THR 79 25.191 -2.140 14.095 622 HB THR 79 HB THR 79 26.112 -3.761 15.007 623 HG1 THR 79 1HG THR 79 24.404 -3.477 17.264 624 1HG2 THR 79 2HG2 THR 79 27.396 -1.833 16.075 625 2HG2 THR 79 1HG2 THR 79 26.593 -2.309 17.604 626 3HG2 THR 79 3HG2 THR 79 27.631 -3.435 16.765 627 H GLY 80 H GLY 80 22.859 -0.541 14.875 628 1HA GLY 80 1HA GLY 80 20.793 -2.511 15.555 629 2HA GLY 80 2HA GLY 80 20.636 -0.719 15.269 630 H THR 81 H THR 81 18.754 -1.848 14.341 631 HA THR 81 HA THR 81 19.117 -2.059 11.384 632 HB THR 81 HB THR 81 17.342 -3.824 11.452 633 HG1 THR 81 1HG THR 81 16.231 -4.191 13.166 634 1HG2 THR 81 3HG2 THR 81 19.936 -4.251 12.644 635 2HG2 THR 81 2HG2 THR 81 18.726 -5.308 13.411 636 3HG2 THR 81 1HG2 THR 81 18.915 -5.301 11.648 637 H TRP 82 H TRP 82 18.604 0.000 11.268 638 HA TRP 82 HA TRP 82 16.481 1.296 12.485 639 1HB TRP 82 2HB TRP 82 17.220 1.808 9.493 640 2HB TRP 82 1HB TRP 82 16.305 2.854 10.558 641 HD1 TRP 82 HD1 TRP 82 19.839 1.467 11.637 642 HE1 TRP 82 HE1 TRP 82 21.315 3.522 11.835 643 HE3 TRP 82 HE3 TRP 82 16.675 5.064 9.852 644 HZ2 TRP 82 HZ2 TRP 82 21.226 6.361 11.325 645 HZ3 TRP 82 HZ3 TRP 82 17.389 7.356 9.740 646 HH2 TRP 82 HH2 TRP 82 19.709 8.049 10.481 647 H THR 83 H THR 83 14.326 0.232 12.430 648 HA THR 83 HA THR 83 13.346 -0.514 9.700 649 HB THR 83 HB THR 83 11.442 -1.498 11.346 650 HG1 THR 83 1HG THR 83 12.521 -2.431 13.094 651 1HG2 THR 83 3HG2 THR 83 14.063 -2.797 10.323 652 2HG2 THR 83 2HG2 THR 83 12.889 -3.706 11.333 653 3HG2 THR 83 1HG2 THR 83 12.395 -3.066 9.777 654 H MET 84 H MET 84 10.628 -0.185 10.218 655 HA MET 84 HA MET 84 10.370 2.508 11.529 656 1HB MET 84 2HB MET 84 9.316 3.412 9.493 657 2HB MET 84 1HB MET 84 10.850 2.821 8.950 658 1HG MET 84 2HG MET 84 9.983 1.040 7.719 659 2HG MET 84 1HG MET 84 8.678 0.881 8.824 660 1HE MET 84 2HE MET 84 9.584 1.468 5.541 661 2HE MET 84 1HE MET 84 7.898 0.830 5.591 662 3HE MET 84 3HE MET 84 8.266 2.369 4.745 663 H GLU 85 H GLU 85 7.533 2.369 10.064 664 HA GLU 85 HA GLU 85 6.485 -0.112 11.029 665 1HB GLU 85 2HB GLU 85 6.776 1.662 13.035 666 2HB GLU 85 1HB GLU 85 5.217 2.292 12.281 667 1HG GLU 85 2HG GLU 85 5.021 -0.554 12.531 668 2HG GLU 85 1HG GLU 85 5.722 -0.121 13.987 669 H GLY 86 H GLY 86 3.837 0.661 11.178 670 1HA GLY 86 1HA GLY 86 3.168 0.925 8.415 671 2HA GLY 86 2HA GLY 86 1.983 1.009 9.827 672 H ASN 87 H ASN 87 4.052 3.142 10.950 673 HA ASN 87 HA ASN 87 3.596 5.285 9.017 674 1HB ASN 87 2HB ASN 87 2.437 6.786 9.994 675 2HB ASN 87 1HB ASN 87 1.564 5.174 9.640 676 1HD2 ASN 87 2HD2 ASN 87 1.061 6.582 13.254 677 2HD2 ASN 87 1HD2 ASN 87 1.127 7.449 11.752 678 H LYS 88 H LYS 88 6.074 4.079 10.306 679 HA LYS 88 HA LYS 88 7.384 6.584 10.802 680 1HB LYS 88 2HB LYS 88 7.828 5.679 13.303 681 2HB LYS 88 1HB LYS 88 6.742 6.943 13.013 682 1HG LYS 88 2HG LYS 88 4.889 5.049 13.000 683 2HG LYS 88 1HG LYS 88 6.191 3.976 13.573 684 1HD LYS 88 2HD LYS 88 6.058 4.714 15.656 685 2HD LYS 88 1HD LYS 88 6.308 6.387 15.123 686 1HE LYS 88 2HE LYS 88 4.253 6.341 16.362 687 2HE LYS 88 1HE LYS 88 3.844 6.587 14.680 688 1HZ LYS 88 3HZ LYS 88 3.389 4.180 14.603 689 2HZ LYS 88 2HZ LYS 88 3.645 4.091 16.270 690 3HZ LYS 88 1HZ LYS 88 2.402 5.060 15.688 691 H LEU 89 H LEU 89 9.244 6.320 10.446 692 HA LEU 89 HA LEU 89 10.950 4.007 10.288 693 1HB LEU 89 2HB LEU 89 11.139 6.973 10.262 694 2HB LEU 89 1HB LEU 89 12.371 6.228 11.164 695 HG LEU 89 HG LEU 89 13.532 5.438 9.416 696 1HD1 LEU 89 1HD1 LEU 89 10.823 4.639 8.438 697 2HD1 LEU 89 3HD1 LEU 89 11.916 4.959 7.109 698 3HD1 LEU 89 2HD1 LEU 89 12.379 3.738 8.316 699 1HD2 LEU 89 2HD2 LEU 89 11.847 7.754 8.606 700 2HD2 LEU 89 1HD2 LEU 89 13.564 7.555 8.255 701 3HD2 LEU 89 3HD2 LEU 89 12.323 6.836 7.170 702 H VAL 90 H VAL 90 12.809 3.815 11.610 703 HA VAL 90 HA VAL 90 12.899 4.600 14.380 704 HB VAL 90 HB VAL 90 13.181 1.714 14.060 705 1HG1 VAL 90 3HG1 VAL 90 12.492 3.647 16.214 706 2HG1 VAL 90 2HG1 VAL 90 11.520 2.173 16.311 707 3HG1 VAL 90 1HG1 VAL 90 13.266 2.030 16.287 708 1HG2 VAL 90 1HG2 VAL 90 10.354 2.871 13.701 709 2HG2 VAL 90 3HG2 VAL 90 11.097 1.390 13.023 710 3HG2 VAL 90 2HG2 VAL 90 10.584 1.470 14.712 711 H GLY 91 H GLY 91 14.771 5.434 13.972 712 1HA GLY 91 1HA GLY 91 16.832 4.747 12.267 713 2HA GLY 91 2HA GLY 91 16.899 5.739 13.718 714 H LYS 92 H LYS 92 15.765 3.455 15.206 715 HA LYS 92 HA LYS 92 16.470 1.986 16.733 716 1HB LYS 92 2HB LYS 92 17.299 0.706 14.103 717 2HB LYS 92 1HB LYS 92 17.355 -0.153 15.666 718 1HG LYS 92 2HG LYS 92 14.890 1.416 15.028 719 2HG LYS 92 1HG LYS 92 15.036 -0.180 14.376 720 1HD LYS 92 2HD LYS 92 15.982 -0.285 17.125 721 2HD LYS 92 1HD LYS 92 14.613 0.805 17.068 722 1HE LYS 92 2HE LYS 92 13.093 -0.922 16.521 723 2HE LYS 92 1HE LYS 92 14.375 -1.878 15.646 724 1HZ LYS 92 3HZ LYS 92 14.966 -1.612 18.418 725 2HZ LYS 92 2HZ LYS 92 13.460 -2.288 18.200 726 3HZ LYS 92 1HZ LYS 92 14.772 -2.990 17.425 727 H PHE 93 H PHE 93 18.899 0.158 16.484 728 HA PHE 93 HA PHE 93 21.256 1.740 16.677 729 1HB PHE 93 2HB PHE 93 20.882 1.657 19.393 730 2HB PHE 93 1HB PHE 93 20.426 3.019 18.520 731 HD1 PHE 93 HD1 PHE 93 19.642 -0.473 19.456 732 HD2 PHE 93 HD2 PHE 93 17.677 3.351 18.995 733 HE1 PHE 93 HE1 PHE 93 17.631 -1.455 20.335 734 HE2 PHE 93 HE2 PHE 93 15.660 2.261 19.949 735 HZ PHE 93 HZ PHE 93 15.626 -0.089 20.591 736 H LYS 94 H LYS 94 22.284 1.252 18.722 737 HA LYS 94 HA LYS 94 22.542 0.201 20.687 738 1HB LYS 94 2HB LYS 94 21.783 -2.262 19.111 739 2HB LYS 94 1HB LYS 94 23.340 -2.394 20.193 740 1HG LYS 94 2HG LYS 94 22.141 -1.182 21.944 741 2HG LYS 94 1HG LYS 94 20.805 -0.909 20.996 742 1HD LYS 94 2HD LYS 94 19.803 -2.959 21.396 743 2HD LYS 94 1HD LYS 94 21.312 -3.814 21.475 744 1HE LYS 94 2HE LYS 94 21.446 -2.046 23.715 745 2HE LYS 94 1HE LYS 94 19.739 -2.595 23.628 746 1HZ LYS 94 3HZ LYS 94 20.847 -4.863 23.210 747 2HZ LYS 94 2HZ LYS 94 22.124 -4.180 24.050 748 3HZ LYS 94 1HZ LYS 94 20.611 -4.245 24.784 749 H ARG 95 H ARG 95 24.060 1.553 20.277 750 HA ARG 95 HA ARG 95 26.017 1.250 18.240 751 1HB ARG 95 2HB ARG 95 26.824 2.086 21.054 752 2HB ARG 95 1HB ARG 95 27.387 2.754 19.444 753 1HG ARG 95 2HG ARG 95 25.279 3.759 21.268 754 2HG ARG 95 1HG ARG 95 26.436 4.526 20.268 755 1HD ARG 95 2HD ARG 95 23.941 3.044 19.133 756 2HD ARG 95 1HD ARG 95 24.103 4.723 19.417 757 HE ARG 95 HE ARG 95 25.228 3.385 17.171 758 1HH1 ARG 95 1HH2 ARG 95 25.819 6.037 19.459 759 2HH1 ARG 95 2HH2 ARG 95 26.795 6.958 18.347 760 1HH2 ARG 95 2HH1 ARG 95 26.641 4.807 15.698 761 2HH2 ARG 95 1HH1 ARG 95 27.208 6.317 16.420 762 H VAL 96 H VAL 96 28.407 1.201 19.336 763 HA VAL 96 HA VAL 96 28.761 -1.497 20.565 764 HB VAL 96 HB VAL 96 29.954 0.157 18.425 765 1HG1 VAL 96 1HG1 VAL 96 31.667 -1.340 20.449 766 2HG1 VAL 96 3HG1 VAL 96 32.219 -0.852 18.804 767 3HG1 VAL 96 2HG1 VAL 96 31.746 0.379 19.946 768 1HG2 VAL 96 3HG2 VAL 96 28.707 -2.147 18.146 769 2HG2 VAL 96 2HG2 VAL 96 30.208 -1.992 17.239 770 3HG2 VAL 96 1HG2 VAL 96 30.144 -2.892 18.798 771 H ASP 97 H ASP 97 29.648 2.005 20.539 772 HA ASP 97 HA ASP 97 31.606 1.989 22.609 773 1HB ASP 97 2HB ASP 97 31.247 4.004 21.641 774 2HB ASP 97 1HB ASP 97 29.522 3.979 21.902 775 H ASN 98 H ASN 98 28.148 1.737 22.751 776 HA ASN 98 HA ASN 98 28.139 0.239 25.166 777 1HB ASN 98 2HB ASN 98 28.959 2.164 26.082 778 2HB ASN 98 1HB ASN 98 27.654 3.069 25.430 779 1HD2 ASN 98 1HD2 ASN 98 26.947 2.656 29.018 780 2HD2 ASN 98 2HD2 ASN 98 27.936 3.511 27.867 781 H GLY 99 H GLY 99 26.608 -0.069 22.635 782 1HA GLY 99 1HA GLY 99 24.453 -0.153 21.682 783 2HA GLY 99 2HA GLY 99 24.169 -1.054 23.054 784 H LYS 100 H LYS 100 24.357 2.300 22.007 785 HA LYS 100 HA LYS 100 22.492 3.543 23.855 786 1HB LYS 100 2HB LYS 100 23.522 4.074 21.131 787 2HB LYS 100 1HB LYS 100 22.331 5.077 21.885 788 1HG LYS 100 2HG LYS 100 24.986 5.675 22.115 789 2HG LYS 100 1HG LYS 100 23.828 5.958 23.515 790 1HD LYS 100 2HD LYS 100 24.474 3.585 24.312 791 2HD LYS 100 1HD LYS 100 25.712 3.626 23.139 792 1HE LYS 100 2HE LYS 100 27.026 5.002 24.509 793 2HE LYS 100 1HE LYS 100 25.636 6.033 24.921 794 1HZ LYS 100 3HZ LYS 100 25.655 3.381 26.090 795 2HZ LYS 100 2HZ LYS 100 26.782 4.502 26.609 796 3HZ LYS 100 1HZ LYS 100 25.135 4.860 26.706 797 H GLU 101 H GLU 101 20.580 4.828 22.560 798 HA GLU 101 HA GLU 101 19.554 3.121 20.452 799 1HB GLU 101 2HB GLU 101 18.019 3.499 22.984 800 2HB GLU 101 1HB GLU 101 17.207 3.047 21.591 801 1HG GLU 101 2HG GLU 101 17.818 0.803 22.168 802 2HG GLU 101 1HG GLU 101 19.268 1.237 21.409 803 H LEU 102 H LEU 102 20.502 4.941 19.561 804 HA LEU 102 HA LEU 102 19.730 7.580 19.329 805 1HB LEU 102 2HB LEU 102 20.165 5.495 17.130 806 2HB LEU 102 1HB LEU 102 19.961 7.225 16.837 807 HG LEU 102 HG LEU 102 21.936 6.850 18.927 808 1HD1 LEU 102 2HD1 LEU 102 22.202 4.551 17.903 809 2HD1 LEU 102 1HD1 LEU 102 22.551 5.345 16.351 810 3HD1 LEU 102 3HD1 LEU 102 23.662 5.571 17.747 811 1HD2 LEU 102 2HD2 LEU 102 21.421 8.400 16.497 812 2HD2 LEU 102 1HD2 LEU 102 22.813 8.608 17.567 813 3HD2 LEU 102 3HD2 LEU 102 22.881 7.490 16.154 814 H ILE 103 H ILE 103 18.432 4.808 17.496 815 HA ILE 103 HA ILE 103 16.396 4.245 16.859 816 HB ILE 103 HB ILE 103 15.941 6.118 19.148 817 1HG1 ILE 103 2HG1 ILE 103 15.932 3.921 19.482 818 2HG1 ILE 103 1HG1 ILE 103 14.227 4.249 19.608 819 1HG2 ILE 103 1HG2 ILE 103 14.532 7.265 17.351 820 2HG2 ILE 103 3HG2 ILE 103 13.467 5.817 17.469 821 3HG2 ILE 103 2HG2 ILE 103 13.797 6.873 18.891 822 1HD1 ILE 103 1HD1 ILE 103 14.751 3.419 16.854 823 2HD1 ILE 103 3HD1 ILE 103 15.224 2.243 18.132 824 3HD1 ILE 103 2HD1 ILE 103 13.599 2.855 18.118 825 H ALA 104 H ALA 104 17.830 7.153 16.054 826 HA ALA 104 HA ALA 104 16.681 9.027 14.777 827 1HB ALA 104 1HB ALA 104 18.874 7.630 14.119 828 2HB ALA 104 3HB ALA 104 17.873 7.130 12.758 829 3HB ALA 104 2HB ALA 104 18.183 8.884 13.084 830 H VAL 105 H VAL 105 14.253 8.279 15.214 831 HA VAL 105 HA VAL 105 13.240 6.573 13.034 832 HB VAL 105 HB VAL 105 11.009 7.263 13.597 833 1HG1 VAL 105 2HG1 VAL 105 12.797 5.968 15.709 834 2HG1 VAL 105 1HG1 VAL 105 11.311 6.696 16.305 835 3HG1 VAL 105 3HG1 VAL 105 11.245 5.417 15.123 836 1HG2 VAL 105 3HG2 VAL 105 12.215 9.508 14.446 837 2HG2 VAL 105 2HG2 VAL 105 10.627 9.009 15.136 838 3HG2 VAL 105 1HG2 VAL 105 12.142 8.648 16.030 839 H ARG 106 H ARG 106 11.134 9.161 12.920 840 HA ARG 106 HA ARG 106 11.863 11.256 11.459 841 1HB ARG 106 2HB ARG 106 12.759 8.994 9.852 842 2HB ARG 106 1HB ARG 106 11.248 9.559 9.145 843 1HG ARG 106 2HG ARG 106 11.893 11.366 8.433 844 2HG ARG 106 1HG ARG 106 12.618 11.935 9.845 845 1HD ARG 106 2HD ARG 106 14.009 9.816 8.042 846 2HD ARG 106 1HD ARG 106 14.258 11.608 7.898 847 HE ARG 106 HE ARG 106 14.687 11.159 10.518 848 1HH1 ARG 106 1HH2 ARG 106 15.971 9.292 7.827 849 2HH1 ARG 106 2HH2 ARG 106 17.413 8.884 8.664 850 1HH2 ARG 106 2HH1 ARG 106 16.530 10.600 11.611 851 2HH2 ARG 106 1HH1 ARG 106 17.735 9.618 10.898 852 H GLU 107 H GLU 107 10.233 8.274 11.782 853 HA GLU 107 HA GLU 107 8.150 7.606 11.735 854 1HB GLU 107 2HB GLU 107 7.350 10.436 12.600 855 2HB GLU 107 1HB GLU 107 6.571 8.881 12.792 856 1HG GLU 107 2HG GLU 107 8.800 8.175 14.107 857 2HG GLU 107 1HG GLU 107 9.257 9.773 14.092 858 H ILE 108 H ILE 108 8.055 11.090 11.045 859 HA ILE 108 HA ILE 108 7.051 12.471 9.782 860 HB ILE 108 HB ILE 108 8.040 10.629 8.300 861 1HG1 ILE 108 2HG1 ILE 108 5.896 12.623 7.661 862 2HG1 ILE 108 1HG1 ILE 108 7.554 13.005 8.031 863 1HG2 ILE 108 1HG2 ILE 108 5.001 10.488 7.632 864 2HG2 ILE 108 3HG2 ILE 108 6.175 10.086 6.425 865 3HG2 ILE 108 2HG2 ILE 108 5.982 9.030 7.866 866 1HD1 ILE 108 1HD1 ILE 108 7.774 11.250 5.794 867 2HD1 ILE 108 3HD1 ILE 108 6.380 12.304 5.369 868 3HD1 ILE 108 2HD1 ILE 108 7.972 13.032 5.716 869 H SER 109 H SER 109 5.252 13.415 10.132 870 HA SER 109 HA SER 109 2.813 12.208 9.457 871 1HB SER 109 2HB SER 109 3.134 10.853 11.505 872 2HB SER 109 1HB SER 109 3.737 12.269 12.343 873 HG SER 109 HG SER 109 1.750 12.595 13.015 874 H GLY 110 H GLY 110 2.042 13.896 8.607 875 1HA GLY 110 1HA GLY 110 1.187 15.942 8.201 876 2HA GLY 110 2HA GLY 110 0.971 16.094 9.991 877 H ASN 111 H ASN 111 3.060 16.902 7.212 878 HA ASN 111 HA ASN 111 4.873 18.290 7.054 879 1HB ASN 111 2HB ASN 111 2.857 19.746 7.954 880 2HB ASN 111 1HB ASN 111 4.151 20.135 9.073 881 1HD2 ASN 111 2HD2 ASN 111 6.418 20.857 6.072 882 2HD2 ASN 111 1HD2 ASN 111 6.409 19.545 7.187 883 H GLU 112 H GLU 112 5.274 16.065 8.803 884 HA GLU 112 HA GLU 112 7.386 17.132 10.658 885 1HB GLU 112 2HB GLU 112 5.252 15.064 10.914 886 2HB GLU 112 1HB GLU 112 6.819 14.458 11.375 887 1HG GLU 112 2HG GLU 112 5.382 15.465 13.350 888 2HG GLU 112 1HG GLU 112 7.049 15.626 13.259 889 H LEU 113 H LEU 113 8.781 15.246 11.038 890 HA LEU 113 HA LEU 113 9.161 12.977 9.440 891 1HB LEU 113 2HB LEU 113 10.912 15.345 8.786 892 2HB LEU 113 1HB LEU 113 11.451 13.618 8.638 893 HG LEU 113 HG LEU 113 9.173 13.482 7.157 894 1HD1 LEU 113 2HD1 LEU 113 9.413 16.171 7.616 895 2HD1 LEU 113 1HD1 LEU 113 10.267 16.083 6.050 896 3HD1 LEU 113 3HD1 LEU 113 8.584 15.482 6.254 897 1HD2 LEU 113 1HD2 LEU 113 12.062 13.403 6.869 898 2HD2 LEU 113 3HD2 LEU 113 10.850 12.733 5.808 899 3HD2 LEU 113 2HD2 LEU 113 11.501 14.394 5.549 900 H ILE 114 H ILE 114 8.827 13.801 11.987 901 HA ILE 114 HA ILE 114 10.859 14.546 13.612 902 HB ILE 114 HB ILE 114 9.736 12.371 15.028 903 1HG1 ILE 114 2HG1 ILE 114 8.341 12.204 12.549 904 2HG1 ILE 114 1HG1 ILE 114 8.081 11.400 14.023 905 1HG2 ILE 114 2HG2 ILE 114 9.821 14.505 15.847 906 2HG2 ILE 114 1HG2 ILE 114 8.488 14.997 14.832 907 3HG2 ILE 114 3HG2 ILE 114 8.199 13.762 16.100 908 1HD1 ILE 114 3HD1 ILE 114 6.756 14.077 14.208 909 2HD1 ILE 114 2HD1 ILE 114 6.293 13.178 12.750 910 3HD1 ILE 114 1HD1 ILE 114 6.047 12.484 14.370 911 H GLN 115 H GLN 115 12.674 13.903 12.791 912 HA GLN 115 HA GLN 115 14.094 11.621 12.252 913 1HB GLN 115 2HB GLN 115 14.449 13.898 14.231 914 2HB GLN 115 1HB GLN 115 15.848 12.925 13.645 915 1HG GLN 115 2HG GLN 115 15.387 14.071 11.320 916 2HG GLN 115 1HG GLN 115 14.090 14.997 12.096 917 1HE2 GLN 115 2HE2 GLN 115 16.952 17.275 12.301 918 2HE2 GLN 115 1HE2 GLN 115 15.620 16.770 11.322 919 H THR 116 H THR 116 13.018 12.986 15.263 920 HA THR 116 HA THR 116 13.352 12.313 17.489 921 HB THR 116 HB THR 116 11.611 10.451 15.896 922 HG1 THR 116 1HG THR 116 10.106 11.846 17.278 923 1HG2 THR 116 3HG2 THR 116 12.366 10.157 18.833 924 2HG2 THR 116 2HG2 THR 116 10.650 10.620 18.683 925 3HG2 THR 116 1HG2 THR 116 11.276 9.168 17.902 926 H TYR 117 H TYR 117 15.699 11.770 16.979 927 HA TYR 117 HA TYR 117 15.863 8.853 17.579 928 1HB TYR 117 2HB TYR 117 18.498 10.189 17.838 929 2HB TYR 117 1HB TYR 117 18.116 8.847 17.008 930 HD1 TYR 117 HD2 TYR 117 16.657 11.964 15.353 931 HD2 TYR 117 HD1 TYR 117 19.974 9.259 15.633 932 HE1 TYR 117 HE2 TYR 117 17.648 12.818 13.247 933 HE2 TYR 117 HE1 TYR 117 20.887 10.096 13.581 934 HH TYR 117 HH TYR 117 19.359 12.730 11.740 935 H THR 118 H THR 118 15.608 8.371 19.471 936 HA THR 118 HA THR 118 16.451 10.180 21.642 937 HB THR 118 HB THR 118 14.577 7.894 21.814 938 HG1 THR 118 1HG THR 118 13.214 9.366 21.070 939 1HG2 THR 118 3HG2 THR 118 16.003 9.195 23.837 940 2HG2 THR 118 2HG2 THR 118 14.675 10.355 23.738 941 3HG2 THR 118 1HG2 THR 118 14.306 8.654 24.118 942 H TYR 119 H TYR 119 18.815 9.065 21.274 943 HA TYR 119 HA TYR 119 19.214 6.329 22.228 944 1HB TYR 119 2HB TYR 119 21.403 6.715 22.060 945 2HB TYR 119 1HB TYR 119 20.889 7.898 20.860 946 HD1 TYR 119 HD2 TYR 119 20.680 10.455 21.856 947 HD2 TYR 119 HD1 TYR 119 22.386 7.189 24.042 948 HE1 TYR 119 HE2 TYR 119 21.638 12.010 23.460 949 HE2 TYR 119 HE1 TYR 119 23.356 8.707 25.654 950 HH TYR 119 HH TYR 119 23.650 10.933 26.155 951 H GLU 120 H GLU 120 18.904 5.644 24.197 952 HA GLU 120 HA GLU 120 18.640 5.691 26.484 953 1HB GLU 120 2HB GLU 120 20.731 5.985 26.933 954 2HB GLU 120 1HB GLU 120 20.934 7.245 25.706 955 1HG GLU 120 2HG GLU 120 21.409 8.566 27.461 956 2HG GLU 120 1HG GLU 120 19.707 8.897 27.400 957 H GLY 121 H GLY 121 17.235 8.195 24.786 958 1HA GLY 121 1HA GLY 121 15.143 9.021 25.912 959 2HA GLY 121 2HA GLY 121 16.015 9.343 27.266 960 H VAL 122 H VAL 122 17.662 10.004 24.259 961 HA VAL 122 HA VAL 122 17.279 12.979 24.706 962 HB VAL 122 HB VAL 122 19.522 11.519 23.338 963 1HG1 VAL 122 1HG1 VAL 122 18.897 14.329 23.783 964 2HG1 VAL 122 3HG1 VAL 122 20.519 13.987 24.400 965 3HG1 VAL 122 2HG1 VAL 122 20.099 13.628 22.703 966 1HG2 VAL 122 2HG2 VAL 122 18.837 12.150 26.239 967 2HG2 VAL 122 1HG2 VAL 122 19.806 10.791 25.613 968 3HG2 VAL 122 3HG2 VAL 122 20.560 12.391 25.849 969 H GLU 123 H GLU 123 15.327 12.042 23.147 970 HA GLU 123 HA GLU 123 15.559 11.545 20.352 971 1HB GLU 123 2HB GLU 123 13.370 12.134 21.998 972 2HB GLU 123 1HB GLU 123 13.745 13.727 21.626 973 1HG GLU 123 2HG GLU 123 13.750 13.148 19.133 974 2HG GLU 123 1HG GLU 123 13.433 11.572 19.485 975 H ALA 124 H ALA 124 16.361 12.573 18.781 976 HA ALA 124 HA ALA 124 16.484 15.521 19.102 977 1HB ALA 124 2HB ALA 124 18.659 13.784 17.833 978 2HB ALA 124 1HB ALA 124 18.640 15.522 17.589 979 3HB ALA 124 3HB ALA 124 18.917 14.824 19.244 980 H LYS 125 H LYS 125 15.397 16.580 17.707 981 HA LYS 125 HA LYS 125 15.174 15.320 15.061 982 1HB LYS 125 2HB LYS 125 12.527 16.281 15.965 983 2HB LYS 125 1HB LYS 125 12.925 14.855 15.079 984 1HG LYS 125 2HG LYS 125 12.342 13.896 17.306 985 2HG LYS 125 1HG LYS 125 14.005 14.103 17.505 986 1HD LYS 125 2HD LYS 125 12.599 15.032 19.312 987 2HD LYS 125 1HD LYS 125 13.926 15.957 18.753 988 1HE LYS 125 2HE LYS 125 12.533 17.680 17.787 989 2HE LYS 125 1HE LYS 125 11.109 16.560 17.665 990 1HZ LYS 125 3HZ LYS 125 11.337 16.580 20.205 991 2HZ LYS 125 2HZ LYS 125 12.076 18.068 19.953 992 3HZ LYS 125 1HZ LYS 125 10.518 17.778 19.349 993 H ARG 126 H ARG 126 13.021 17.082 14.175 994 HA ARG 126 HA ARG 126 12.936 19.687 14.786 995 1HB ARG 126 2HB ARG 126 15.594 19.205 13.767 996 2HB ARG 126 1HB ARG 126 14.676 20.566 12.989 997 1HG ARG 126 2HG ARG 126 14.702 20.227 16.061 998 2HG ARG 126 1HG ARG 126 15.967 21.244 15.210 999 1HD ARG 126 2HD ARG 126 14.452 22.834 15.514 1000 2HD ARG 126 1HD ARG 126 13.649 22.128 14.062 1001 HE ARG 126 HE ARG 126 12.930 21.394 16.848 1002 1HH1 ARG 126 1HH2 ARG 126 11.811 22.121 13.448 1003 2HH1 ARG 126 2HH2 ARG 126 10.205 21.819 13.949 1004 1HH2 ARG 126 1HH1 ARG 126 10.687 21.045 17.264 1005 2HH2 ARG 126 2HH1 ARG 126 9.641 21.267 15.885 1006 H ILE 127 H ILE 127 14.239 17.756 12.136 1007 HA ILE 127 HA ILE 127 12.723 16.646 10.615 1008 HB ILE 127 HB ILE 127 11.113 19.171 10.797 1009 1HG1 ILE 127 2HG1 ILE 127 9.448 17.543 11.307 1010 2HG1 ILE 127 1HG1 ILE 127 10.424 16.200 10.687 1011 1HG2 ILE 127 2HG2 ILE 127 11.354 18.814 8.385 1012 2HG2 ILE 127 1HG2 ILE 127 10.495 17.251 8.648 1013 3HG2 ILE 127 3HG2 ILE 127 9.718 18.770 8.978 1014 1HD1 ILE 127 1HD1 ILE 127 11.010 17.701 13.353 1015 2HD1 ILE 127 3HD1 ILE 127 10.091 16.243 13.196 1016 3HD1 ILE 127 2HD1 ILE 127 11.757 16.183 12.723 1017 H PHE 128 H PHE 128 12.277 16.795 8.542 1018 HA PHE 128 HA PHE 128 14.554 17.381 6.873 1019 1HB PHE 128 2HB PHE 128 11.988 15.792 6.673 1020 2HB PHE 128 1HB PHE 128 13.278 15.727 5.547 1021 HD1 PHE 128 HD1 PHE 128 12.611 14.982 9.181 1022 HD2 PHE 128 HD2 PHE 128 15.450 14.720 6.075 1023 HE1 PHE 128 HE1 PHE 128 13.891 13.437 10.507 1024 HE2 PHE 128 HE2 PHE 128 16.859 13.229 7.512 1025 HZ PHE 128 HZ PHE 128 16.062 12.582 9.725 1026 H LYS 129 H LYS 129 14.733 18.556 5.407 1027 HA LYS 129 HA LYS 129 12.770 20.430 4.449 1028 1HB LYS 129 2HB LYS 129 15.385 20.497 3.085 1029 2HB LYS 129 1HB LYS 129 14.098 21.675 3.401 1030 1HG LYS 129 2HG LYS 129 14.765 22.288 5.403 1031 2HG LYS 129 1HG LYS 129 15.341 20.710 5.917 1032 1HD LYS 129 2HD LYS 129 17.203 22.438 5.649 1033 2HD LYS 129 1HD LYS 129 17.450 21.145 4.538 1034 1HE LYS 129 2HE LYS 129 16.421 22.314 2.717 1035 2HE LYS 129 1HE LYS 129 15.748 23.525 3.738 1036 1HZ LYS 129 2HZ LYS 129 18.360 23.913 4.231 1037 2HZ LYS 129 1HZ LYS 129 18.452 23.352 2.633 1038 3HZ LYS 129 3HZ LYS 129 17.532 24.733 3.027 1039 H LYS 130 H LYS 130 11.990 17.962 4.080 1040 HA LYS 130 HA LYS 130 11.665 16.600 1.849 1041 1HB LYS 130 2HB LYS 130 9.886 16.492 2.566 1042 2HB LYS 130 1HB LYS 130 9.528 18.243 2.907 1043 1HG LYS 130 2HG LYS 130 9.793 16.834 0.231 1044 2HG LYS 130 1HG LYS 130 8.343 16.634 1.093 1045 1HD LYS 130 2HD LYS 130 8.858 19.520 0.999 1046 2HD LYS 130 1HD LYS 130 9.207 18.928 -0.586 1047 1HE LYS 130 2HE LYS 130 6.882 18.162 -0.968 1048 2HE LYS 130 1HE LYS 130 6.517 18.180 0.742 1049 1HZ LYS 130 3HZ LYS 130 7.327 20.772 0.039 1050 2HZ LYS 130 2HZ LYS 130 6.164 20.229 -1.069 1051 3HZ LYS 130 1HZ LYS 130 5.816 20.242 0.562 1052 H GLU 131 H GLU 131 11.631 16.581 -0.064 1053 HA GLU 131 HA GLU 131 11.627 19.110 -1.548 1054 1HB GLU 131 2HB GLU 131 13.758 18.401 -0.546 1055 2HB GLU 131 1HB GLU 131 13.802 17.188 -1.327 1056 1HG GLU 131 2HG GLU 131 15.437 18.768 -2.247 1057 2HG GLU 131 1HG GLU 131 14.347 18.291 -3.540 No H/Q in entry = 1057 Start of MODEL 17 1 1H ALA 1 3H ALA 1 3.371 8.249 2.390 2 2H ALA 1 2H ALA 1 3.475 7.294 3.749 3 3H ALA 1 1H ALA 1 2.154 8.214 3.513 4 HA ALA 1 HA ALA 1 3.266 10.170 3.941 5 1HB ALA 1 2HB ALA 1 2.838 8.281 5.804 6 2HB ALA 1 1HB ALA 1 4.593 8.115 5.799 7 3HB ALA 1 3HB ALA 1 3.812 9.715 6.170 8 H PHE 2 H PHE 2 6.136 9.156 5.384 9 HA PHE 2 HA PHE 2 8.022 10.414 4.022 10 1HB PHE 2 2HB PHE 2 9.310 7.898 4.228 11 2HB PHE 2 1HB PHE 2 9.466 9.311 5.285 12 HD1 PHE 2 HD1 PHE 2 6.653 6.725 4.801 13 HD2 PHE 2 HD2 PHE 2 9.443 8.632 7.458 14 HE1 PHE 2 HE1 PHE 2 5.765 5.479 6.698 15 HE2 PHE 2 HE2 PHE 2 8.503 7.346 9.344 16 HZ PHE 2 HZ PHE 2 6.636 5.747 8.957 17 H ASP 3 H ASP 3 7.690 10.793 1.925 18 HA ASP 3 HA ASP 3 8.614 8.771 -0.083 19 1HB ASP 3 2HB ASP 3 6.985 9.398 -1.642 20 2HB ASP 3 1HB ASP 3 6.182 8.868 -0.114 21 H GLY 4 H GLY 4 9.680 9.845 -2.000 22 1HA GLY 4 1HA GLY 4 10.591 11.982 -2.914 23 2HA GLY 4 2HA GLY 4 9.798 12.768 -1.654 24 H THR 5 H THR 5 11.462 13.972 -1.434 25 HA THR 5 HA THR 5 13.977 13.184 0.081 26 HB THR 5 HB THR 5 15.043 14.758 -0.622 27 HG1 THR 5 1HG THR 5 14.484 16.253 0.609 28 1HG2 THR 5 3HG2 THR 5 12.458 15.232 -2.285 29 2HG2 THR 5 2HG2 THR 5 14.005 16.067 -2.695 30 3HG2 THR 5 1HG2 THR 5 13.842 14.326 -2.802 31 H TRP 6 H TRP 6 14.551 14.580 1.530 32 HA TRP 6 HA TRP 6 12.800 15.525 3.688 33 1HB TRP 6 2HB TRP 6 14.079 12.729 3.321 34 2HB TRP 6 1HB TRP 6 13.874 13.575 4.852 35 HD1 TRP 6 HD1 TRP 6 12.269 10.874 3.352 36 HE1 TRP 6 HE1 TRP 6 9.762 10.662 3.299 37 HE3 TRP 6 HE3 TRP 6 11.110 15.714 4.557 38 HZ2 TRP 6 HZ2 TRP 6 7.557 12.346 3.684 39 HZ3 TRP 6 HZ3 TRP 6 8.784 16.269 4.671 40 HH2 TRP 6 HH2 TRP 6 7.006 14.655 4.246 41 H LYS 7 H LYS 7 14.360 15.950 5.526 42 HA LYS 7 HA LYS 7 17.252 15.619 4.861 43 1HB LYS 7 2HB LYS 7 16.236 18.366 5.132 44 2HB LYS 7 1HB LYS 7 17.714 17.883 4.457 45 1HG LYS 7 2HG LYS 7 16.441 16.647 2.680 46 2HG LYS 7 1HG LYS 7 14.975 17.263 2.998 47 1HD LYS 7 2HD LYS 7 15.921 18.280 1.044 48 2HD LYS 7 1HD LYS 7 16.164 19.612 2.133 49 1HE LYS 7 2HE LYS 7 18.462 17.934 2.394 50 2HE LYS 7 1HE LYS 7 18.059 18.018 0.690 51 1HZ LYS 7 3HZ LYS 7 17.975 20.546 0.989 52 2HZ LYS 7 2HZ LYS 7 18.707 20.295 2.468 53 3HZ LYS 7 1HZ LYS 7 19.481 19.826 1.038 54 H VAL 8 H VAL 8 17.545 18.130 6.497 55 HA VAL 8 HA VAL 8 16.207 17.577 9.031 56 HB VAL 8 HB VAL 8 19.099 17.074 8.824 57 1HG1 VAL 8 1HG1 VAL 8 17.502 18.347 10.924 58 2HG1 VAL 8 3HG1 VAL 8 17.927 16.768 11.515 59 3HG1 VAL 8 2HG1 VAL 8 19.195 17.971 11.075 60 1HG2 VAL 8 2HG2 VAL 8 16.740 15.415 9.723 61 2HG2 VAL 8 1HG2 VAL 8 17.908 15.059 8.399 62 3HG2 VAL 8 3HG2 VAL 8 18.453 14.990 10.070 63 H ASP 9 H ASP 9 15.467 19.467 7.862 64 HA ASP 9 HA ASP 9 16.638 21.878 7.228 65 1HB ASP 9 2HB ASP 9 14.228 20.882 7.593 66 2HB ASP 9 1HB ASP 9 14.365 21.615 9.125 67 H ARG 10 H ARG 10 15.614 20.690 10.390 68 HA ARG 10 HA ARG 10 17.305 22.890 11.609 69 1HB ARG 10 2HB ARG 10 15.372 22.641 13.452 70 2HB ARG 10 1HB ARG 10 15.561 23.881 12.248 71 1HG ARG 10 2HG ARG 10 14.038 21.476 11.336 72 2HG ARG 10 1HG ARG 10 13.260 22.358 12.609 73 1HD ARG 10 2HD ARG 10 13.605 24.543 11.186 74 2HD ARG 10 1HD ARG 10 14.011 23.421 9.849 75 HE ARG 10 HE ARG 10 11.769 22.858 9.665 76 1HH1 ARG 10 2HH1 ARG 10 12.159 24.301 12.861 77 2HH1 ARG 10 1HH1 ARG 10 10.452 24.265 13.240 78 1HH2 ARG 10 2HH2 ARG 10 9.551 22.850 10.207 79 2HH2 ARG 10 1HH2 ARG 10 9.024 23.467 11.758 80 H ASN 11 H ASN 11 17.832 22.403 13.950 81 HA ASN 11 HA ASN 11 17.834 19.432 14.381 82 1HB ASN 11 2HB ASN 11 20.391 19.850 14.926 83 2HB ASN 11 1HB ASN 11 19.805 19.354 13.357 84 1HD2 ASN 11 1HD2 ASN 11 21.317 21.995 11.631 85 2HD2 ASN 11 2HD2 ASN 11 20.646 20.364 11.675 86 H GLU 12 H GLU 12 16.841 19.349 16.191 87 HA GLU 12 HA GLU 12 17.980 21.051 18.447 88 1HB GLU 12 2HB GLU 12 16.110 21.151 19.608 89 2HB GLU 12 1HB GLU 12 15.487 21.297 17.950 90 1HG GLU 12 2HG GLU 12 14.372 19.210 17.934 91 2HG GLU 12 1HG GLU 12 15.438 18.539 19.132 92 H ASN 13 H ASN 13 18.591 20.085 20.298 93 HA ASN 13 HA ASN 13 19.436 18.379 21.659 94 1HB ASN 13 2HB ASN 13 17.082 17.049 20.347 95 2HB ASN 13 1HB ASN 13 18.184 16.130 21.328 96 1HD2 ASN 13 1HD2 ASN 13 17.125 17.193 24.482 97 2HD2 ASN 13 2HD2 ASN 13 18.165 16.194 23.514 98 H TYR 14 H TYR 14 20.058 18.688 18.497 99 HA TYR 14 HA TYR 14 21.008 16.097 17.695 100 1HB TYR 14 2HB TYR 14 19.792 17.930 16.506 101 2HB TYR 14 1HB TYR 14 21.341 18.629 16.236 102 HD1 TYR 14 HD1 TYR 14 23.188 16.747 15.484 103 HD2 TYR 14 HD2 TYR 14 18.932 16.319 15.012 104 HE1 TYR 14 HE1 TYR 14 23.549 15.062 13.730 105 HE2 TYR 14 HE2 TYR 14 19.260 14.667 13.285 106 HH TYR 14 HH TYR 14 22.506 13.398 12.578 107 H GLU 15 H GLU 15 22.816 19.181 18.655 108 HA GLU 15 HA GLU 15 25.293 18.157 17.793 109 1HB GLU 15 2HB GLU 15 26.442 19.697 19.214 110 2HB GLU 15 1HB GLU 15 25.257 20.391 18.090 111 1HG GLU 15 2HG GLU 15 24.177 21.439 19.774 112 2HG GLU 15 1HG GLU 15 23.854 19.931 20.608 113 H LYS 16 H LYS 16 23.761 18.074 21.022 114 HA LYS 16 HA LYS 16 25.926 16.639 22.396 115 1HB LYS 16 2HB LYS 16 24.598 18.362 23.346 116 2HB LYS 16 1HB LYS 16 23.152 17.278 23.236 117 1HG LYS 16 2HG LYS 16 24.140 15.703 24.770 118 2HG LYS 16 1HG LYS 16 25.689 16.625 24.886 119 1HD LYS 16 2HD LYS 16 24.749 18.157 26.256 120 2HD LYS 16 1HD LYS 16 23.336 18.306 25.322 121 1HE LYS 16 2HE LYS 16 23.642 15.962 27.288 122 2HE LYS 16 1HE LYS 16 22.901 17.538 27.676 123 1HZ LYS 16 1HZ LYS 16 21.867 16.435 25.253 124 2HZ LYS 16 3HZ LYS 16 21.619 15.478 26.633 125 3HZ LYS 16 2HZ LYS 16 21.071 17.074 26.595 126 H PHE 17 H PHE 17 23.121 15.850 20.480 127 HA PHE 17 HA PHE 17 22.542 13.237 21.352 128 1HB PHE 17 2HB PHE 17 20.838 13.912 20.044 129 2HB PHE 17 1HB PHE 17 21.934 14.989 19.126 130 HD1 PHE 17 HD2 PHE 17 23.128 13.977 17.060 131 HD2 PHE 17 HD1 PHE 17 20.403 11.685 19.500 132 HE1 PHE 17 HE2 PHE 17 22.985 12.179 15.383 133 HE2 PHE 17 HE1 PHE 17 20.311 9.927 17.769 134 HZ PHE 17 HZ PHE 17 21.645 10.188 15.674 135 H MET 18 H MET 18 24.883 14.420 18.996 136 HA MET 18 HA MET 18 25.738 11.799 18.021 137 1HB MET 18 2HB MET 18 26.478 14.709 17.809 138 2HB MET 18 1HB MET 18 27.723 13.460 17.461 139 1HG MET 18 2HG MET 18 26.125 12.355 15.823 140 2HG MET 18 1HG MET 18 24.918 13.577 16.212 141 1HE MET 18 2HE MET 18 25.702 16.027 16.384 142 2HE MET 18 1HE MET 18 27.434 16.285 16.120 143 3HE MET 18 3HE MET 18 26.268 16.822 14.861 144 H GLU 19 H GLU 19 27.035 14.433 19.919 145 HA GLU 19 HA GLU 19 29.476 13.682 20.695 146 1HB GLU 19 2HB GLU 19 28.002 15.646 21.591 147 2HB GLU 19 1HB GLU 19 27.287 14.437 22.636 148 1HG GLU 19 2HG GLU 19 29.015 14.153 24.017 149 2HG GLU 19 1HG GLU 19 30.249 14.379 22.826 150 H LYS 20 H LYS 20 26.452 12.600 22.140 151 HA LYS 20 HA LYS 20 27.434 11.582 24.479 152 1HB LYS 20 2HB LYS 20 24.990 11.631 22.972 153 2HB LYS 20 1HB LYS 20 25.137 10.122 23.868 154 1HG LYS 20 2HG LYS 20 24.132 11.814 25.388 155 2HG LYS 20 1HG LYS 20 25.895 11.511 25.860 156 1HD LYS 20 2HD LYS 20 26.218 13.454 24.097 157 2HD LYS 20 1HD LYS 20 24.570 13.835 24.604 158 1HE LYS 20 2HE LYS 20 26.176 15.109 26.041 159 2HE LYS 20 1HE LYS 20 25.355 13.767 27.008 160 1HZ LYS 20 1HZ LYS 20 27.805 13.072 25.617 161 2HZ LYS 20 3HZ LYS 20 27.946 14.045 26.977 162 3HZ LYS 20 2HZ LYS 20 27.192 12.564 27.082 163 H MET 21 H MET 21 27.637 10.260 21.377 164 HA MET 21 HA MET 21 28.096 7.419 21.856 165 1HB MET 21 2HB MET 21 28.483 9.316 19.614 166 2HB MET 21 1HB MET 21 29.175 7.644 19.586 167 1HG MET 21 2HG MET 21 26.299 7.756 20.264 168 2HG MET 21 1HG MET 21 26.613 8.613 18.752 169 1HE MET 21 1HE MET 21 28.294 5.966 20.605 170 2HE MET 21 3HE MET 21 27.991 4.391 19.749 171 3HE MET 21 2HE MET 21 29.327 5.490 19.238 172 H GLY 22 H GLY 22 29.702 10.462 21.361 173 1HA GLY 22 1HA GLY 22 31.771 10.984 22.474 174 2HA GLY 22 2HA GLY 22 32.537 9.552 21.769 175 H ILE 23 H ILE 23 30.104 11.467 19.803 176 HA ILE 23 HA ILE 23 31.885 11.973 17.705 177 HB ILE 23 HB ILE 23 29.289 13.106 18.645 178 1HG1 ILE 23 2HG1 ILE 23 28.794 12.439 16.117 179 2HG1 ILE 23 1HG1 ILE 23 30.333 11.497 16.329 180 1HG2 ILE 23 3HG2 ILE 23 30.837 15.017 17.555 181 2HG2 ILE 23 2HG2 ILE 23 30.409 14.124 16.057 182 3HG2 ILE 23 1HG2 ILE 23 29.144 14.798 17.066 183 1HD1 ILE 23 1HD1 ILE 23 29.165 10.594 18.438 184 2HD1 ILE 23 3HD1 ILE 23 27.638 11.027 17.582 185 3HD1 ILE 23 2HD1 ILE 23 28.787 9.921 16.847 186 H ASN 24 H ASN 24 33.902 13.004 18.094 187 HA ASN 24 HA ASN 24 34.445 14.687 20.228 188 1HB ASN 24 2HB ASN 24 35.883 14.024 17.915 189 2HB ASN 24 1HB ASN 24 36.252 15.579 18.685 190 1HD2 ASN 24 2HD2 ASN 24 37.602 12.199 20.325 191 2HD2 ASN 24 1HD2 ASN 24 36.925 12.345 18.716 192 H VAL 25 H VAL 25 34.786 16.879 20.549 193 HA VAL 25 HA VAL 25 32.748 18.501 19.332 194 HB VAL 25 HB VAL 25 32.942 20.188 20.478 195 1HG1 VAL 25 2HG1 VAL 25 33.114 17.467 21.840 196 2HG1 VAL 25 1HG1 VAL 25 32.926 18.876 22.867 197 3HG1 VAL 25 3HG1 VAL 25 31.704 18.523 21.643 198 1HG2 VAL 25 1HG2 VAL 25 35.540 20.243 20.756 199 2HG2 VAL 25 3HG2 VAL 25 34.707 20.364 22.330 200 3HG2 VAL 25 2HG2 VAL 25 35.403 18.795 21.793 201 H VAL 26 H VAL 26 36.004 18.000 18.342 202 HA VAL 26 HA VAL 26 36.567 20.483 17.114 203 HB VAL 26 HB VAL 26 37.600 17.732 16.620 204 1HG1 VAL 26 1HG1 VAL 26 37.647 19.178 14.500 205 2HG1 VAL 26 3HG1 VAL 26 38.750 20.257 15.386 206 3HG1 VAL 26 2HG1 VAL 26 39.227 18.598 15.044 207 1HG2 VAL 26 1HG2 VAL 26 38.494 20.497 17.721 208 2HG2 VAL 26 3HG2 VAL 26 38.351 19.032 18.741 209 3HG2 VAL 26 2HG2 VAL 26 39.642 19.162 17.550 210 H LYS 27 H LYS 27 34.646 17.781 16.256 211 HA LYS 27 HA LYS 27 34.142 18.550 13.485 212 1HB LYS 27 2HB LYS 27 32.504 16.568 14.998 213 2HB LYS 27 1HB LYS 27 32.808 16.778 13.255 214 1HG LYS 27 2HG LYS 27 35.134 16.076 13.557 215 2HG LYS 27 1HG LYS 27 35.063 16.092 15.252 216 1HD LYS 27 2HD LYS 27 34.912 13.774 14.963 217 2HD LYS 27 1HD LYS 27 33.194 14.163 14.874 218 1HE LYS 27 2HE LYS 27 33.484 12.807 12.956 219 2HE LYS 27 1HE LYS 27 33.561 14.428 12.298 220 1HZ LYS 27 1HZ LYS 27 35.910 14.343 12.295 221 2HZ LYS 27 3HZ LYS 27 35.947 12.767 12.892 222 3HZ LYS 27 2HZ LYS 27 35.226 13.091 11.382 223 H ARG 28 H ARG 28 32.940 19.215 16.647 224 HA ARG 28 HA ARG 28 30.285 19.831 16.311 225 1HB ARG 28 2HB ARG 28 31.560 19.949 18.481 226 2HB ARG 28 1HB ARG 28 32.003 21.610 17.950 227 1HG ARG 28 2HG ARG 28 29.194 21.118 17.509 228 2HG ARG 28 1HG ARG 28 29.542 20.828 19.200 229 1HD ARG 28 2HD ARG 28 30.015 23.438 17.678 230 2HD ARG 28 1HD ARG 28 28.925 23.140 18.895 231 HE ARG 28 HE ARG 28 31.690 23.921 19.128 232 1HH1 ARG 28 1HH2 ARG 28 29.138 22.027 20.718 233 2HH1 ARG 28 2HH2 ARG 28 29.809 22.253 22.303 234 1HH2 ARG 28 1HH1 ARG 28 32.515 24.158 21.393 235 2HH2 ARG 28 2HH1 ARG 28 31.613 23.378 22.686 236 H LYS 29 H LYS 29 33.100 21.425 15.148 237 HA LYS 29 HA LYS 29 31.903 24.078 14.631 238 1HB LYS 29 2HB LYS 29 34.568 23.249 13.816 239 2HB LYS 29 1HB LYS 29 33.933 24.860 14.298 240 1HG LYS 29 2HG LYS 29 34.156 24.514 16.566 241 2HG LYS 29 1HG LYS 29 33.789 22.834 16.509 242 1HD LYS 29 2HD LYS 29 36.023 23.226 17.244 243 2HD LYS 29 1HD LYS 29 35.952 22.145 15.915 244 1HE LYS 29 2HE LYS 29 36.333 24.588 14.515 245 2HE LYS 29 1HE LYS 29 37.247 24.878 16.003 246 1HZ LYS 29 3HZ LYS 29 38.102 22.490 15.400 247 2HZ LYS 29 2HZ LYS 29 37.691 22.963 13.865 248 3HZ LYS 29 1HZ LYS 29 38.766 23.921 14.771 249 H LEU 30 H LEU 30 31.289 21.320 13.268 250 HA LEU 30 HA LEU 30 30.790 22.482 10.640 251 1HB LEU 30 2HB LEU 30 33.296 21.645 10.791 252 2HB LEU 30 1HB LEU 30 32.544 20.087 10.470 253 HG LEU 30 HG LEU 30 33.129 22.252 8.622 254 1HD1 LEU 30 2HD1 LEU 30 33.669 19.721 8.477 255 2HD1 LEU 30 1HD1 LEU 30 31.970 19.519 8.025 256 3HD1 LEU 30 3HD1 LEU 30 33.032 20.459 6.977 257 1HD2 LEU 30 3HD2 LEU 30 30.243 21.276 8.677 258 2HD2 LEU 30 2HD2 LEU 30 30.818 22.981 8.639 259 3HD2 LEU 30 1HD2 LEU 30 30.993 21.977 7.215 260 H GLY 31 H GLY 31 29.373 21.181 12.899 261 1HA GLY 31 1HA GLY 31 28.269 18.828 11.458 262 2HA GLY 31 2HA GLY 31 28.637 18.668 13.166 263 H ALA 32 H ALA 32 27.578 21.657 13.390 264 HA ALA 32 HA ALA 32 24.845 20.789 13.915 265 1HB ALA 32 1HB ALA 32 26.565 22.673 15.017 266 2HB ALA 32 3HB ALA 32 25.274 23.603 14.229 267 3HB ALA 32 2HB ALA 32 24.854 22.362 15.460 268 H HIS 33 H HIS 33 26.520 23.113 11.662 269 HA HIS 33 HA HIS 33 23.955 23.805 10.423 270 1HB HIS 33 2HB HIS 33 26.741 24.745 10.414 271 2HB HIS 33 1HB HIS 33 26.230 24.552 8.696 272 HD1 HIS 33 HD1 HIS 33 23.126 25.333 9.316 273 HD2 HIS 33 HD2 HIS 33 26.692 27.416 10.208 274 HE1 HIS 33 HE1 HIS 33 22.452 27.721 9.508 275 HE2 HIS 33 HE2 HIS 33 24.608 29.039 10.062 276 H ASP 34 H ASP 34 23.337 21.663 10.052 277 HA ASP 34 HA ASP 34 24.690 20.275 7.805 278 1HB ASP 34 2HB ASP 34 23.444 18.286 8.501 279 2HB ASP 34 1HB ASP 34 24.789 18.846 9.489 280 H ASN 35 H ASN 35 23.269 18.835 6.661 281 HA ASN 35 HA ASN 35 20.512 19.447 6.088 282 1HB ASN 35 2HB ASN 35 22.447 21.205 5.000 283 2HB ASN 35 1HB ASN 35 22.070 20.150 3.629 284 1HD2 ASN 35 2HD2 ASN 35 19.668 22.747 3.080 285 2HD2 ASN 35 1HD2 ASN 35 21.331 22.384 2.804 286 H LEU 36 H LEU 36 20.982 17.074 6.624 287 HA LEU 36 HA LEU 36 22.252 15.660 4.346 288 1HB LEU 36 2HB LEU 36 23.100 14.971 6.343 289 2HB LEU 36 1HB LEU 36 21.520 14.889 7.103 290 HG LEU 36 HG LEU 36 21.914 13.151 4.748 291 1HD1 LEU 36 2HD1 LEU 36 24.090 13.276 6.689 292 2HD1 LEU 36 1HD1 LEU 36 23.315 11.723 6.897 293 3HD1 LEU 36 3HD1 LEU 36 23.954 12.179 5.313 294 1HD2 LEU 36 3HD2 LEU 36 20.265 13.304 7.127 295 2HD2 LEU 36 2HD2 LEU 36 20.270 11.907 6.046 296 3HD2 LEU 36 1HD2 LEU 36 21.347 11.894 7.424 297 H LYS 37 H LYS 37 20.900 15.419 2.774 298 HA LYS 37 HA LYS 37 18.074 15.249 3.197 299 1HB LYS 37 2HB LYS 37 19.670 15.599 0.942 300 2HB LYS 37 1HB LYS 37 19.303 13.934 0.817 301 1HG LYS 37 2HG LYS 37 16.744 14.598 1.099 302 2HG LYS 37 1HG LYS 37 17.327 16.287 1.043 303 1HD LYS 37 2HD LYS 37 17.107 14.151 -1.042 304 2HD LYS 37 1HD LYS 37 16.552 15.815 -1.037 305 1HE LYS 37 2HE LYS 37 19.051 16.607 -1.284 306 2HE LYS 37 1HE LYS 37 19.506 14.924 -1.282 307 1HZ LYS 37 1HZ LYS 37 17.895 14.722 -3.228 308 2HZ LYS 37 3HZ LYS 37 18.052 16.425 -3.317 309 3HZ LYS 37 2HZ LYS 37 19.413 15.442 -3.483 310 H LEU 38 H LEU 38 17.754 13.779 4.805 311 HA LEU 38 HA LEU 38 18.697 11.098 4.938 312 1HB LEU 38 2HB LEU 38 16.283 12.426 6.019 313 2HB LEU 38 1HB LEU 38 15.725 11.157 5.073 314 HG LEU 38 HG LEU 38 15.869 10.341 7.191 315 1HD1 LEU 38 2HD1 LEU 38 16.873 8.776 5.407 316 2HD1 LEU 38 1HD1 LEU 38 18.466 9.378 5.810 317 3HD1 LEU 38 3HD1 LEU 38 17.529 8.442 7.025 318 1HD2 LEU 38 1HD2 LEU 38 17.909 12.248 7.536 319 2HD2 LEU 38 3HD2 LEU 38 17.555 11.034 8.759 320 3HD2 LEU 38 2HD2 LEU 38 18.875 10.760 7.587 321 H THR 39 H THR 39 16.064 12.704 3.322 322 HA THR 39 HA THR 39 14.806 12.466 1.621 323 HB THR 39 HB THR 39 16.817 10.643 0.249 324 HG1 THR 39 1HG THR 39 17.973 12.527 -0.258 325 1HG2 THR 39 2HG2 THR 39 14.597 11.504 -0.970 326 2HG2 THR 39 1HG2 THR 39 15.522 13.033 -1.078 327 3HG2 THR 39 3HG2 THR 39 16.157 11.630 -1.856 328 H ILE 40 H ILE 40 12.968 10.928 1.540 329 HA ILE 40 HA ILE 40 13.703 7.992 1.653 330 HB ILE 40 HB ILE 40 11.410 9.188 3.119 331 1HG1 ILE 40 2HG1 ILE 40 14.095 8.127 4.240 332 2HG1 ILE 40 1HG1 ILE 40 13.788 9.773 3.958 333 1HG2 ILE 40 1HG2 ILE 40 10.982 6.883 2.368 334 2HG2 ILE 40 3HG2 ILE 40 12.409 6.338 3.235 335 3HG2 ILE 40 2HG2 ILE 40 11.086 7.014 4.144 336 1HD1 ILE 40 2HD1 ILE 40 11.459 8.959 5.508 337 2HD1 ILE 40 1HD1 ILE 40 12.826 8.081 6.213 338 3HD1 ILE 40 3HD1 ILE 40 12.877 9.867 6.115 339 H THR 41 H THR 41 13.267 7.186 -0.256 340 HA THR 41 HA THR 41 10.818 8.208 -1.588 341 HB THR 41 HB THR 41 13.191 7.314 -2.609 342 HG1 THR 41 1HG THR 41 11.590 8.700 -3.497 343 1HG2 THR 41 1HG2 THR 41 12.354 4.913 -2.296 344 2HG2 THR 41 3HG2 THR 41 10.934 5.275 -3.311 345 3HG2 THR 41 2HG2 THR 41 12.545 5.265 -3.992 346 H GLN 42 H GLN 42 11.855 5.487 0.249 347 HA GLN 42 HA GLN 42 10.775 3.707 1.107 348 1HB GLN 42 2HB GLN 42 8.971 4.852 1.873 349 2HB GLN 42 1HB GLN 42 8.545 5.608 0.347 350 1HG GLN 42 2HG GLN 42 7.882 2.867 -0.052 351 2HG GLN 42 1HG GLN 42 7.589 3.095 1.644 352 1HE2 GLN 42 1HE2 GLN 42 5.159 4.524 -1.267 353 2HE2 GLN 42 2HE2 GLN 42 6.598 3.622 -1.522 354 H GLU 43 H GLU 43 10.915 1.764 0.271 355 HA GLU 43 HA GLU 43 10.083 1.220 -2.551 356 1HB GLU 43 2HB GLU 43 12.622 1.143 -1.110 357 2HB GLU 43 1HB GLU 43 12.226 -0.257 -2.156 358 1HG GLU 43 2HG GLU 43 11.899 2.510 -3.364 359 2HG GLU 43 1HG GLU 43 13.627 1.907 -2.999 360 H GLY 44 H GLY 44 8.193 0.718 -1.206 361 1HA GLY 44 1HA GLY 44 6.685 -0.796 -0.335 362 2HA GLY 44 2HA GLY 44 7.810 -2.096 -0.882 363 H ASN 45 H ASN 45 9.469 -2.747 0.337 364 HA ASN 45 HA ASN 45 8.922 -2.424 3.222 365 1HB ASN 45 2HB ASN 45 11.038 -4.398 2.419 366 2HB ASN 45 1HB ASN 45 9.672 -4.568 3.565 367 1HD2 ASN 45 1HD2 ASN 45 9.407 -6.650 0.260 368 2HD2 ASN 45 2HD2 ASN 45 10.819 -6.215 1.134 369 H LYS 46 H LYS 46 11.995 -2.961 1.278 370 HA LYS 46 HA LYS 46 13.487 -1.466 3.291 371 1HB LYS 46 2HB LYS 46 15.184 -2.348 2.058 372 2HB LYS 46 1HB LYS 46 13.970 -2.848 0.839 373 1HG LYS 46 2HG LYS 46 15.565 -0.243 0.800 374 2HG LYS 46 1HG LYS 46 15.804 -1.659 -0.158 375 1HD LYS 46 2HD LYS 46 13.048 -0.755 -0.531 376 2HD LYS 46 1HD LYS 46 14.316 0.431 -0.954 377 1HE LYS 46 2HE LYS 46 14.397 -0.560 -2.924 378 2HE LYS 46 1HE LYS 46 15.444 -1.663 -2.107 379 1HZ LYS 46 3HZ LYS 46 13.270 -3.005 -1.672 380 2HZ LYS 46 2HZ LYS 46 12.670 -2.099 -2.988 381 3HZ LYS 46 1HZ LYS 46 14.059 -3.054 -3.173 382 H PHE 47 H PHE 47 14.829 0.327 2.581 383 HA PHE 47 HA PHE 47 13.375 2.076 0.686 384 1HB PHE 47 2HB PHE 47 14.271 3.695 2.869 385 2HB PHE 47 1HB PHE 47 12.606 3.595 2.211 386 HD1 PHE 47 HD2 PHE 47 11.091 1.609 3.500 387 HD2 PHE 47 HD1 PHE 47 14.931 3.039 4.879 388 HE1 PHE 47 HE2 PHE 47 10.721 0.702 5.694 389 HE2 PHE 47 HE1 PHE 47 14.554 2.133 7.065 390 HZ PHE 47 HZ PHE 47 12.411 0.925 7.542 391 H THR 48 H THR 48 14.621 2.929 -0.628 392 HA THR 48 HA THR 48 17.548 3.086 -0.204 393 HB THR 48 HB THR 48 15.766 3.747 -2.584 394 HG1 THR 48 1HG THR 48 17.329 2.248 -3.460 395 1HG2 THR 48 2HG2 THR 48 18.260 5.084 -1.869 396 2HG2 THR 48 1HG2 THR 48 18.712 3.989 -3.163 397 3HG2 THR 48 3HG2 THR 48 17.401 5.191 -3.417 398 H VAL 49 H VAL 49 17.308 4.486 1.610 399 HA VAL 49 HA VAL 49 16.074 7.107 1.006 400 HB VAL 49 HB VAL 49 16.448 7.708 3.278 401 1HG1 VAL 49 2HG1 VAL 49 14.602 5.900 2.800 402 2HG1 VAL 49 1HG1 VAL 49 15.764 4.732 3.492 403 3HG1 VAL 49 3HG1 VAL 49 15.159 6.055 4.478 404 1HG2 VAL 49 1HG2 VAL 49 18.832 6.220 3.289 405 2HG2 VAL 49 3HG2 VAL 49 18.031 6.851 4.749 406 3HG2 VAL 49 2HG2 VAL 49 17.803 5.194 4.261 407 H LYS 50 H LYS 50 17.552 9.060 1.364 408 HA LYS 50 HA LYS 50 20.132 8.263 0.118 409 1HB LYS 50 2HB LYS 50 18.854 10.924 0.604 410 2HB LYS 50 1HB LYS 50 20.554 10.796 0.028 411 1HG LYS 50 2HG LYS 50 19.855 9.472 -1.862 412 2HG LYS 50 1HG LYS 50 18.109 9.658 -1.400 413 1HD LYS 50 2HD LYS 50 18.107 11.790 -2.256 414 2HD LYS 50 1HD LYS 50 19.832 12.110 -1.725 415 1HE LYS 50 2HE LYS 50 19.144 10.029 -3.843 416 2HE LYS 50 1HE LYS 50 19.312 11.768 -4.241 417 1HZ LYS 50 3HZ LYS 50 21.471 11.629 -3.080 418 2HZ LYS 50 2HZ LYS 50 21.379 9.967 -3.108 419 3HZ LYS 50 1HZ LYS 50 21.348 10.800 -4.576 420 H GLU 51 H GLU 51 20.521 11.143 1.891 421 HA GLU 51 HA GLU 51 20.928 11.363 4.161 422 1HB GLU 51 2HB GLU 51 21.025 8.822 4.648 423 2HB GLU 51 1HB GLU 51 22.533 8.704 3.767 424 1HG GLU 51 2HG GLU 51 23.568 10.268 5.519 425 2HG GLU 51 1HG GLU 51 21.975 10.441 6.208 426 H SER 52 H SER 52 21.890 12.868 2.457 427 HA SER 52 HA SER 52 24.876 12.538 2.342 428 1HB SER 52 2HB SER 52 24.476 14.021 0.278 429 2HB SER 52 1HB SER 52 24.175 12.227 0.074 430 HG SER 52 HG SER 52 22.491 13.385 -0.710 431 H SER 53 H SER 53 25.540 13.975 3.830 432 HA SER 53 HA SER 53 23.943 16.480 4.016 433 1HB SER 53 2HB SER 53 24.812 16.857 6.100 434 2HB SER 53 1HB SER 53 24.975 15.063 6.011 435 HG SER 53 HG SER 53 26.817 16.640 6.544 436 H ASN 54 H ASN 54 26.474 17.982 4.902 437 HA ASN 54 HA ASN 54 27.348 18.815 2.221 438 1HB ASN 54 2HB ASN 54 26.779 20.386 3.948 439 2HB ASN 54 1HB ASN 54 28.021 19.737 5.040 440 1HD2 ASN 54 1HD2 ASN 54 30.257 22.226 3.904 441 2HD2 ASN 54 2HD2 ASN 54 29.469 21.368 5.222 442 H PHE 55 H PHE 55 28.160 15.989 3.686 443 HA PHE 55 HA PHE 55 31.091 16.399 3.326 444 1HB PHE 55 2HB PHE 55 30.042 14.196 5.040 445 2HB PHE 55 1HB PHE 55 31.581 15.084 5.094 446 HD1 PHE 55 HD2 PHE 55 30.784 17.888 5.292 447 HD2 PHE 55 HD1 PHE 55 28.985 14.439 7.056 448 HE1 PHE 55 HE2 PHE 55 29.809 19.311 7.171 449 HE2 PHE 55 HE1 PHE 55 28.043 15.772 8.840 450 HZ PHE 55 HZ PHE 55 28.441 18.220 8.916 451 H ARG 56 H ARG 56 28.616 15.310 1.795 452 HA ARG 56 HA ARG 56 28.164 13.544 0.357 453 1HB ARG 56 2HB ARG 56 30.345 14.288 -0.513 454 2HB ARG 56 1HB ARG 56 31.187 13.116 0.527 455 1HG ARG 56 2HG ARG 56 30.910 11.449 -0.945 456 2HG ARG 56 1HG ARG 56 29.171 11.669 -1.020 457 1HD ARG 56 2HD ARG 56 31.031 13.632 -2.490 458 2HD ARG 56 1HD ARG 56 30.726 11.997 -3.129 459 HE ARG 56 HE ARG 56 28.977 14.255 -3.265 460 1HH1 ARG 56 1HH1 ARG 56 28.952 10.711 -2.872 461 2HH1 ARG 56 2HH1 ARG 56 27.392 10.521 -3.556 462 1HH2 ARG 56 1HH2 ARG 56 26.907 13.925 -4.174 463 2HH2 ARG 56 2HH2 ARG 56 26.216 12.351 -4.296 464 H ASN 57 H ASN 57 27.077 12.505 1.999 465 HA ASN 57 HA ASN 57 28.553 10.361 3.341 466 1HB ASN 57 2HB ASN 57 25.930 11.751 3.798 467 2HB ASN 57 1HB ASN 57 26.027 9.969 4.248 468 1HD2 ASN 57 2HD2 ASN 57 27.108 11.543 7.293 469 2HD2 ASN 57 1HD2 ASN 57 25.679 11.087 6.447 470 H ILE 58 H ILE 58 25.201 9.616 2.363 471 HA ILE 58 HA ILE 58 25.962 8.484 -0.149 472 HB ILE 58 HB ILE 58 27.192 7.153 1.843 473 1HG1 ILE 58 2HG1 ILE 58 26.090 5.164 0.097 474 2HG1 ILE 58 1HG1 ILE 58 26.594 6.626 -0.831 475 1HG2 ILE 58 3HG2 ILE 58 24.798 6.841 2.865 476 2HG2 ILE 58 2HG2 ILE 58 24.747 5.449 1.733 477 3HG2 ILE 58 1HG2 ILE 58 26.043 5.587 2.954 478 1HD1 ILE 58 1HD1 ILE 58 28.577 5.906 1.211 479 2HD1 ILE 58 3HD1 ILE 58 28.282 4.571 0.114 480 3HD1 ILE 58 2HD1 ILE 58 28.828 6.173 -0.500 481 H ASP 59 H ASP 59 24.332 6.210 -0.097 482 HA ASP 59 HA ASP 59 21.705 7.341 0.681 483 1HB ASP 59 2HB ASP 59 21.021 5.703 -1.298 484 2HB ASP 59 1HB ASP 59 21.536 7.339 -1.666 485 H VAL 60 H VAL 60 21.101 6.129 2.381 486 HA VAL 60 HA VAL 60 22.267 3.486 2.752 487 HB VAL 60 HB VAL 60 20.362 5.199 4.297 488 1HG1 VAL 60 2HG1 VAL 60 20.085 2.690 4.750 489 2HG1 VAL 60 1HG1 VAL 60 21.752 2.626 5.314 490 3HG1 VAL 60 3HG1 VAL 60 20.531 3.622 6.175 491 1HG2 VAL 60 2HG2 VAL 60 23.369 4.614 4.330 492 2HG2 VAL 60 1HG2 VAL 60 22.561 6.179 4.490 493 3HG2 VAL 60 3HG2 VAL 60 22.582 5.085 5.850 494 H VAL 61 H VAL 61 21.271 1.624 2.158 495 HA VAL 61 HA VAL 61 18.339 1.666 1.590 496 HB VAL 61 HB VAL 61 20.296 0.083 -0.086 497 1HG1 VAL 61 3HG1 VAL 61 17.335 0.873 -0.243 498 2HG1 VAL 61 2HG1 VAL 61 18.263 0.197 -1.622 499 3HG1 VAL 61 1HG1 VAL 61 17.982 -0.775 -0.184 500 1HG2 VAL 61 3HG2 VAL 61 19.621 3.020 -0.210 501 2HG2 VAL 61 2HG2 VAL 61 20.861 2.093 -1.090 502 3HG2 VAL 61 1HG2 VAL 61 19.225 2.112 -1.691 503 H PHE 62 H PHE 62 17.316 0.203 2.853 504 HA PHE 62 HA PHE 62 18.770 -2.356 3.359 505 1HB PHE 62 2HB PHE 62 18.058 -2.086 5.846 506 2HB PHE 62 1HB PHE 62 19.666 -1.731 5.248 507 HD1 PHE 62 HD2 PHE 62 16.824 0.644 4.670 508 HD2 PHE 62 HD1 PHE 62 20.235 -0.231 7.072 509 HE1 PHE 62 HE2 PHE 62 16.706 2.875 5.612 510 HE2 PHE 62 HE1 PHE 62 20.127 1.995 8.027 511 HZ PHE 62 HZ PHE 62 18.370 3.613 7.327 512 H GLU 63 H GLU 63 17.391 -3.871 3.168 513 HA GLU 63 HA GLU 63 14.527 -3.819 3.092 514 1HB GLU 63 2HB GLU 63 16.572 -5.956 3.164 515 2HB GLU 63 1HB GLU 63 14.971 -6.325 3.977 516 1HG GLU 63 2HG GLU 63 14.241 -5.029 1.563 517 2HG GLU 63 1HG GLU 63 15.628 -5.870 1.013 518 H LEU 64 H LEU 64 13.894 -2.502 4.757 519 HA LEU 64 HA LEU 64 13.909 -1.802 6.974 520 1HB LEU 64 2HB LEU 64 11.892 -3.806 6.085 521 2HB LEU 64 1HB LEU 64 11.923 -3.491 7.825 522 HG LEU 64 HG LEU 64 11.934 -1.051 6.146 523 1HD1 LEU 64 1HD1 LEU 64 10.341 -2.719 5.017 524 2HD1 LEU 64 3HD1 LEU 64 9.331 -2.679 6.506 525 3HD1 LEU 64 2HD1 LEU 64 9.580 -1.211 5.565 526 1HD2 LEU 64 3HD2 LEU 64 11.248 -1.940 8.874 527 2HD2 LEU 64 2HD2 LEU 64 11.121 -0.274 8.267 528 3HD2 LEU 64 1HD2 LEU 64 9.732 -1.343 8.177 529 H GLY 65 H GLY 65 15.610 -2.482 8.702 530 1HA GLY 65 1HA GLY 65 15.758 -3.662 10.694 531 2HA GLY 65 2HA GLY 65 14.788 -4.923 10.049 532 H VAL 66 H VAL 66 18.012 -3.579 8.792 533 HA VAL 66 HA VAL 66 19.032 -6.436 9.077 534 HB VAL 66 HB VAL 66 20.723 -5.609 7.292 535 1HG1 VAL 66 3HG1 VAL 66 17.846 -6.634 6.908 536 2HG1 VAL 66 2HG1 VAL 66 18.981 -6.407 5.544 537 3HG1 VAL 66 1HG1 VAL 66 19.348 -7.540 6.882 538 1HG2 VAL 66 3HG2 VAL 66 19.492 -3.262 7.261 539 2HG2 VAL 66 2HG2 VAL 66 19.794 -4.032 5.701 540 3HG2 VAL 66 1HG2 VAL 66 18.161 -4.060 6.424 541 H ASP 67 H ASP 67 21.166 -6.619 9.818 542 HA ASP 67 HA ASP 67 22.076 -4.239 11.441 543 1HB ASP 67 2HB ASP 67 23.249 -5.879 12.806 544 2HB ASP 67 1HB ASP 67 21.510 -5.533 12.922 545 H PHE 68 H PHE 68 24.123 -3.675 11.717 546 HA PHE 68 HA PHE 68 26.301 -4.683 9.956 547 1HB PHE 68 2HB PHE 68 26.024 -1.822 9.642 548 2HB PHE 68 1HB PHE 68 26.600 -3.051 8.563 549 HD1 PHE 68 HD2 PHE 68 24.838 -4.397 7.163 550 HD2 PHE 68 HD1 PHE 68 23.740 -0.982 9.617 551 HE1 PHE 68 HE2 PHE 68 22.696 -4.132 5.991 552 HE2 PHE 68 HE1 PHE 68 21.603 -0.755 8.413 553 HZ PHE 68 HZ PHE 68 21.078 -2.299 6.618 554 H ALA 69 H ALA 69 27.954 -2.669 10.164 555 HA ALA 69 HA ALA 69 28.245 -1.780 12.973 556 1HB ALA 69 1HB ALA 69 30.101 -3.382 11.241 557 2HB ALA 69 3HB ALA 69 30.848 -2.164 12.359 558 3HB ALA 69 2HB ALA 69 29.846 -3.457 13.029 559 H TYR 70 H TYR 70 27.247 0.128 12.142 560 HA TYR 70 HA TYR 70 29.207 1.678 10.442 561 1HB TYR 70 2HB TYR 70 27.065 1.044 9.234 562 2HB TYR 70 1HB TYR 70 26.130 1.848 10.495 563 HD1 TYR 70 HD1 TYR 70 29.300 3.466 9.650 564 HD2 TYR 70 HD2 TYR 70 25.171 3.230 8.564 565 HE1 TYR 70 HE1 TYR 70 29.514 5.588 8.424 566 HE2 TYR 70 HE2 TYR 70 25.339 5.317 7.357 567 HH TYR 70 HH TYR 70 27.564 7.562 7.712 568 H SER 71 H SER 71 29.961 3.443 11.445 569 HA SER 71 HA SER 71 28.658 4.324 13.857 570 1HB SER 71 2HB SER 71 30.526 5.487 14.319 571 2HB SER 71 1HB SER 71 31.296 4.529 13.096 572 HG SER 71 HG SER 71 31.730 6.496 12.491 573 H LEU 72 H LEU 72 27.457 5.937 14.298 574 HA LEU 72 HA LEU 72 25.986 7.207 12.174 575 1HB LEU 72 2HB LEU 72 24.760 6.978 14.130 576 2HB LEU 72 1HB LEU 72 26.140 7.224 15.211 577 HG LEU 72 HG LEU 72 24.249 8.829 15.197 578 1HD1 LEU 72 2HD1 LEU 72 26.883 9.130 15.952 579 2HD1 LEU 72 1HD1 LEU 72 26.575 10.638 15.098 580 3HD1 LEU 72 3HD1 LEU 72 25.522 10.152 16.430 581 1HD2 LEU 72 2HD2 LEU 72 24.834 9.151 12.481 582 2HD2 LEU 72 1HD2 LEU 72 23.940 10.362 13.401 583 3HD2 LEU 72 3HD2 LEU 72 25.691 10.564 13.140 584 H ALA 73 H ALA 73 27.200 8.203 10.837 585 HA ALA 73 HA ALA 73 28.426 9.896 9.826 586 1HB ALA 73 1HB ALA 73 26.510 11.006 11.398 587 2HB ALA 73 3HB ALA 73 27.972 11.895 11.798 588 3HB ALA 73 2HB ALA 73 27.461 11.737 10.075 589 H ASP 74 H ASP 74 29.755 8.513 12.701 590 HA ASP 74 HA ASP 74 32.306 9.308 12.297 591 1HB ASP 74 2HB ASP 74 32.822 10.885 14.037 592 2HB ASP 74 1HB ASP 74 32.392 11.364 12.354 593 H GLY 75 H GLY 75 30.423 9.902 15.297 594 1HA GLY 75 1HA GLY 75 31.980 9.052 17.292 595 2HA GLY 75 2HA GLY 75 30.247 8.766 17.286 596 H THR 76 H THR 76 29.539 6.604 16.394 597 HA THR 76 HA THR 76 31.432 4.549 15.874 598 HB THR 76 HB THR 76 31.088 5.088 18.689 599 HG1 THR 76 1HG THR 76 32.862 3.993 18.643 600 1HG2 THR 76 2HG2 THR 76 29.359 3.091 18.533 601 2HG2 THR 76 1HG2 THR 76 30.644 2.118 17.764 602 3HG2 THR 76 3HG2 THR 76 30.866 2.672 19.399 603 H GLU 77 H GLU 77 30.461 2.471 15.900 604 HA GLU 77 HA GLU 77 28.666 1.787 14.176 605 1HB GLU 77 2HB GLU 77 28.883 0.949 17.056 606 2HB GLU 77 1HB GLU 77 27.709 0.160 16.101 607 1HG GLU 77 2HG GLU 77 30.300 -0.900 16.285 608 2HG GLU 77 1HG GLU 77 29.340 -1.087 14.798 609 H LEU 78 H LEU 78 26.644 0.793 14.227 610 HA LEU 78 HA LEU 78 24.530 1.517 16.029 611 1HB LEU 78 2HB LEU 78 24.822 2.833 13.279 612 2HB LEU 78 1HB LEU 78 23.350 1.945 13.374 613 HG LEU 78 HG LEU 78 24.172 4.250 15.029 614 1HD1 LEU 78 3HD1 LEU 78 22.560 3.947 12.764 615 2HD1 LEU 78 2HD1 LEU 78 21.381 4.256 14.026 616 3HD1 LEU 78 1HD1 LEU 78 22.723 5.417 13.791 617 1HD2 LEU 78 2HD2 LEU 78 22.888 2.370 16.484 618 2HD2 LEU 78 1HD2 LEU 78 22.125 3.937 16.456 619 3HD2 LEU 78 3HD2 LEU 78 21.490 2.695 15.394 620 H THR 79 H THR 79 25.439 -0.678 16.089 621 HA THR 79 HA THR 79 24.489 -2.450 13.939 622 HB THR 79 HB THR 79 26.417 -3.343 15.004 623 HG1 THR 79 1HG THR 79 24.193 -4.567 14.607 624 1HG2 THR 79 3HG2 THR 79 26.265 -2.489 17.350 625 2HG2 THR 79 2HG2 THR 79 24.905 -3.574 17.635 626 3HG2 THR 79 1HG2 THR 79 26.497 -4.268 17.327 627 H GLY 80 H GLY 80 22.476 -1.729 13.860 628 1HA GLY 80 1HA GLY 80 20.635 -3.028 15.758 629 2HA GLY 80 2HA GLY 80 20.403 -1.266 15.349 630 H THR 81 H THR 81 18.315 -2.028 14.591 631 HA THR 81 HA THR 81 18.545 -2.566 11.668 632 HB THR 81 HB THR 81 17.167 -4.448 11.745 633 HG1 THR 81 1HG THR 81 15.364 -4.121 12.764 634 1HG2 THR 81 3HG2 THR 81 19.147 -4.976 12.990 635 2HG2 THR 81 2HG2 THR 81 18.344 -4.502 14.521 636 3HG2 THR 81 1HG2 THR 81 17.765 -5.918 13.628 637 H TRP 82 H TRP 82 18.176 -0.515 11.449 638 HA TRP 82 HA TRP 82 15.947 0.893 12.532 639 1HB TRP 82 2HB TRP 82 16.547 1.442 9.585 640 2HB TRP 82 1HB TRP 82 16.015 2.533 10.821 641 HD1 TRP 82 HD1 TRP 82 19.579 0.704 11.101 642 HE1 TRP 82 HE1 TRP 82 21.268 2.587 11.240 643 HE3 TRP 82 HE3 TRP 82 16.499 4.689 10.422 644 HZ2 TRP 82 HZ2 TRP 82 21.318 5.458 11.093 645 HZ3 TRP 82 HZ3 TRP 82 17.329 6.929 10.442 646 HH2 TRP 82 HH2 TRP 82 19.843 7.329 10.783 647 H THR 83 H THR 83 13.907 0.636 12.159 648 HA THR 83 HA THR 83 12.895 -0.468 9.583 649 HB THR 83 HB THR 83 11.003 -1.586 10.970 650 HG1 THR 83 1HG THR 83 13.076 -1.703 12.858 651 1HG2 THR 83 3HG2 THR 83 13.870 -2.744 10.882 652 2HG2 THR 83 2HG2 THR 83 12.388 -3.720 11.167 653 3HG2 THR 83 1HG2 THR 83 12.677 -2.952 9.600 654 H MET 84 H MET 84 10.187 -0.145 10.012 655 HA MET 84 HA MET 84 9.643 2.394 11.470 656 1HB MET 84 2HB MET 84 8.708 3.292 9.328 657 2HB MET 84 1HB MET 84 10.242 2.738 8.889 658 1HG MET 84 2HG MET 84 9.587 1.149 7.476 659 2HG MET 84 1HG MET 84 8.482 0.537 8.621 660 1HE MET 84 1HE MET 84 7.582 0.073 5.862 661 2HE MET 84 3HE MET 84 6.669 1.310 4.995 662 3HE MET 84 2HE MET 84 8.469 1.441 5.124 663 H GLU 85 H GLU 85 6.922 2.228 10.022 664 HA GLU 85 HA GLU 85 6.187 -0.534 10.659 665 1HB GLU 85 2HB GLU 85 6.112 1.127 12.780 666 2HB GLU 85 1HB GLU 85 4.592 1.690 11.962 667 1HG GLU 85 2HG GLU 85 4.859 -1.280 12.059 668 2HG GLU 85 1HG GLU 85 5.048 -0.653 13.646 669 H GLY 86 H GLY 86 4.758 2.731 10.214 670 1HA GLY 86 1HA GLY 86 3.864 2.243 7.529 671 2HA GLY 86 2HA GLY 86 2.499 2.059 8.764 672 H ASN 87 H ASN 87 3.118 3.662 10.743 673 HA ASN 87 HA ASN 87 3.084 6.314 9.356 674 1HB ASN 87 2HB ASN 87 1.827 7.343 10.285 675 2HB ASN 87 1HB ASN 87 1.061 5.697 10.461 676 1HD2 ASN 87 2HD2 ASN 87 1.402 7.572 13.853 677 2HD2 ASN 87 1HD2 ASN 87 0.848 8.179 12.341 678 H LYS 88 H LYS 88 5.526 4.459 10.542 679 HA LYS 88 HA LYS 88 7.165 6.724 10.999 680 1HB LYS 88 2HB LYS 88 7.822 6.244 13.342 681 2HB LYS 88 1HB LYS 88 6.284 6.918 13.270 682 1HG LYS 88 2HG LYS 88 5.418 4.325 13.272 683 2HG LYS 88 1HG LYS 88 6.995 4.182 14.180 684 1HD LYS 88 2HD LYS 88 5.735 6.568 15.018 685 2HD LYS 88 1HD LYS 88 4.411 5.447 14.905 686 1HE LYS 88 2HE LYS 88 7.026 4.543 16.177 687 2HE LYS 88 1HE LYS 88 6.004 5.598 17.130 688 1HZ LYS 88 1HZ LYS 88 4.944 3.201 15.773 689 2HZ LYS 88 3HZ LYS 88 5.579 3.109 17.354 690 3HZ LYS 88 2HZ LYS 88 4.225 4.075 17.011 691 H LEU 89 H LEU 89 9.084 6.383 10.948 692 HA LEU 89 HA LEU 89 10.329 3.791 10.352 693 1HB LEU 89 2HB LEU 89 10.936 6.634 10.267 694 2HB LEU 89 1HB LEU 89 12.070 5.811 11.250 695 HG LEU 89 HG LEU 89 11.399 5.568 8.325 696 1HD1 LEU 89 2HD1 LEU 89 13.629 6.597 10.000 697 2HD1 LEU 89 1HD1 LEU 89 14.182 5.599 8.635 698 3HD1 LEU 89 3HD1 LEU 89 13.127 7.031 8.374 699 1HD2 LEU 89 3HD2 LEU 89 11.961 3.140 9.596 700 2HD2 LEU 89 2HD2 LEU 89 12.875 3.465 8.092 701 3HD2 LEU 89 1HD2 LEU 89 13.593 3.768 9.681 702 H VAL 90 H VAL 90 12.516 3.880 11.717 703 HA VAL 90 HA VAL 90 12.485 4.413 14.527 704 HB VAL 90 HB VAL 90 12.855 1.562 13.980 705 1HG1 VAL 90 3HG1 VAL 90 12.806 3.373 16.223 706 2HG1 VAL 90 2HG1 VAL 90 11.491 2.239 16.508 707 3HG1 VAL 90 1HG1 VAL 90 13.130 1.642 16.266 708 1HG2 VAL 90 3HG2 VAL 90 10.376 1.976 13.172 709 2HG2 VAL 90 2HG2 VAL 90 10.472 1.018 14.622 710 3HG2 VAL 90 1HG2 VAL 90 10.036 2.709 14.780 711 H GLY 91 H GLY 91 14.476 5.191 14.356 712 1HA GLY 91 1HA GLY 91 16.353 4.387 12.401 713 2HA GLY 91 2HA GLY 91 16.679 5.467 13.750 714 H LYS 92 H LYS 92 15.432 3.140 15.320 715 HA LYS 92 HA LYS 92 16.161 1.645 16.816 716 1HB LYS 92 2HB LYS 92 16.863 0.406 14.133 717 2HB LYS 92 1HB LYS 92 16.996 -0.493 15.673 718 1HG LYS 92 2HG LYS 92 14.503 1.072 15.080 719 2HG LYS 92 1HG LYS 92 14.654 -0.615 14.591 720 1HD LYS 92 2HD LYS 92 15.632 -0.685 17.195 721 2HD LYS 92 1HD LYS 92 14.318 0.519 17.210 722 1HE LYS 92 2HE LYS 92 13.018 -1.429 17.554 723 2HE LYS 92 1HE LYS 92 13.106 -1.498 15.759 724 1HZ LYS 92 3HZ LYS 92 15.254 -2.765 16.204 725 2HZ LYS 92 2HZ LYS 92 14.590 -2.952 17.771 726 3HZ LYS 92 1HZ LYS 92 13.750 -3.483 16.387 727 H PHE 93 H PHE 93 18.481 -0.212 16.659 728 HA PHE 93 HA PHE 93 20.893 1.371 16.698 729 1HB PHE 93 2HB PHE 93 20.602 1.337 19.418 730 2HB PHE 93 1HB PHE 93 20.091 2.675 18.519 731 HD1 PHE 93 HD2 PHE 93 19.412 -0.777 19.543 732 HD2 PHE 93 HD1 PHE 93 17.339 2.984 19.106 733 HE1 PHE 93 HE2 PHE 93 17.465 -1.764 20.533 734 HE2 PHE 93 HE1 PHE 93 15.361 1.903 20.172 735 HZ PHE 93 HZ PHE 93 15.408 -0.427 20.874 736 H LYS 94 H LYS 94 21.998 0.905 18.718 737 HA LYS 94 HA LYS 94 22.385 -0.164 20.645 738 1HB LYS 94 2HB LYS 94 21.662 -2.638 19.027 739 2HB LYS 94 1HB LYS 94 23.161 -2.738 20.177 740 1HG LYS 94 2HG LYS 94 21.876 -1.700 21.894 741 2HG LYS 94 1HG LYS 94 20.496 -1.507 20.978 742 1HD LYS 94 2HD LYS 94 19.939 -3.905 21.071 743 2HD LYS 94 1HD LYS 94 21.545 -4.308 21.524 744 1HE LYS 94 2HE LYS 94 21.218 -3.691 23.738 745 2HE LYS 94 1HE LYS 94 19.905 -2.532 23.403 746 1HZ LYS 94 2HZ LYS 94 19.545 -5.335 22.731 747 2HZ LYS 94 1HZ LYS 94 19.470 -4.912 24.359 748 3HZ LYS 94 3HZ LYS 94 18.384 -4.220 23.278 749 H ARG 95 H ARG 95 23.877 1.236 20.065 750 HA ARG 95 HA ARG 95 25.679 0.837 17.810 751 1HB ARG 95 2HB ARG 95 26.769 1.983 20.352 752 2HB ARG 95 1HB ARG 95 26.983 2.521 18.617 753 1HG ARG 95 2HG ARG 95 25.242 3.449 20.763 754 2HG ARG 95 1HG ARG 95 25.982 4.297 19.475 755 1HD ARG 95 2HD ARG 95 23.560 2.543 18.764 756 2HD ARG 95 1HD ARG 95 23.401 4.108 19.433 757 HE ARG 95 HE ARG 95 24.528 3.631 16.778 758 1HH1 ARG 95 2HH1 ARG 95 23.992 5.845 19.618 759 2HH1 ARG 95 1HH1 ARG 95 24.306 7.253 18.672 760 1HH2 ARG 95 1HH2 ARG 95 24.920 5.820 15.646 761 2HH2 ARG 95 2HH2 ARG 95 24.760 7.220 16.622 762 H VAL 96 H VAL 96 28.138 0.891 18.760 763 HA VAL 96 HA VAL 96 28.562 -1.621 20.334 764 HB VAL 96 HB VAL 96 29.937 -0.215 18.004 765 1HG1 VAL 96 3HG1 VAL 96 31.642 -0.651 19.694 766 2HG1 VAL 96 2HG1 VAL 96 31.021 -2.334 19.840 767 3HG1 VAL 96 1HG1 VAL 96 31.773 -1.731 18.315 768 1HG2 VAL 96 1HG2 VAL 96 28.468 -2.839 18.613 769 2HG2 VAL 96 3HG2 VAL 96 28.327 -1.845 17.163 770 3HG2 VAL 96 2HG2 VAL 96 29.759 -2.884 17.359 771 H ASP 97 H ASP 97 28.982 1.897 20.137 772 HA ASP 97 HA ASP 97 31.345 1.976 21.869 773 1HB ASP 97 2HB ASP 97 30.706 3.981 20.763 774 2HB ASP 97 1HB ASP 97 29.139 3.921 21.485 775 H ASN 98 H ASN 98 28.068 1.190 22.250 776 HA ASN 98 HA ASN 98 28.501 0.231 24.940 777 1HB ASN 98 2HB ASN 98 28.681 2.449 25.399 778 2HB ASN 98 1HB ASN 98 27.235 2.776 24.546 779 1HD2 ASN 98 2HD2 ASN 98 25.251 2.477 27.429 780 2HD2 ASN 98 1HD2 ASN 98 25.526 3.181 25.853 781 H GLY 99 H GLY 99 26.155 0.907 22.335 782 1HA GLY 99 1HA GLY 99 24.346 -0.614 21.801 783 2HA GLY 99 2HA GLY 99 24.173 -1.019 23.433 784 H LYS 100 H LYS 100 24.343 2.084 21.714 785 HA LYS 100 HA LYS 100 22.518 3.397 23.569 786 1HB LYS 100 2HB LYS 100 23.878 4.355 21.253 787 2HB LYS 100 1HB LYS 100 22.197 4.801 21.252 788 1HG LYS 100 2HG LYS 100 23.438 6.448 22.581 789 2HG LYS 100 1HG LYS 100 22.660 5.400 23.812 790 1HD LYS 100 2HD LYS 100 24.792 4.795 24.532 791 2HD LYS 100 1HD LYS 100 24.880 3.892 23.139 792 1HE LYS 100 2HE LYS 100 25.808 6.191 21.985 793 2HE LYS 100 1HE LYS 100 26.392 6.409 23.622 794 1HZ LYS 100 2HZ LYS 100 26.781 3.726 22.905 795 2HZ LYS 100 1HZ LYS 100 27.425 4.726 21.748 796 3HZ LYS 100 3HZ LYS 100 27.907 4.938 23.328 797 H GLU 101 H GLU 101 20.602 4.652 22.280 798 HA GLU 101 HA GLU 101 19.344 2.891 20.389 799 1HB GLU 101 2HB GLU 101 18.015 3.318 23.011 800 2HB GLU 101 1HB GLU 101 17.109 2.833 21.649 801 1HG GLU 101 2HG GLU 101 17.765 0.631 22.321 802 2HG GLU 101 1HG GLU 101 19.165 1.034 21.452 803 H LEU 102 H LEU 102 20.255 4.693 19.397 804 HA LEU 102 HA LEU 102 19.442 7.337 19.311 805 1HB LEU 102 2HB LEU 102 19.782 5.545 16.789 806 2HB LEU 102 1HB LEU 102 19.630 7.340 16.875 807 HG LEU 102 HG LEU 102 21.843 5.710 18.041 808 1HD1 LEU 102 1HD1 LEU 102 21.158 6.202 15.292 809 2HD1 LEU 102 3HD1 LEU 102 22.367 7.397 15.659 810 3HD1 LEU 102 2HD1 LEU 102 22.708 5.634 15.836 811 1HD2 LEU 102 1HD2 LEU 102 20.884 8.303 18.532 812 2HD2 LEU 102 3HD2 LEU 102 22.569 7.933 18.757 813 3HD2 LEU 102 2HD2 LEU 102 22.008 8.671 17.211 814 H ILE 103 H ILE 103 18.119 4.736 17.246 815 HA ILE 103 HA ILE 103 16.023 4.011 16.901 816 HB ILE 103 HB ILE 103 15.772 5.612 19.338 817 1HG1 ILE 103 2HG1 ILE 103 15.353 3.593 19.819 818 2HG1 ILE 103 1HG1 ILE 103 13.698 4.079 19.496 819 1HG2 ILE 103 2HG2 ILE 103 14.298 7.037 17.819 820 2HG2 ILE 103 1HG2 ILE 103 13.174 5.649 17.849 821 3HG2 ILE 103 3HG2 ILE 103 13.643 6.501 19.366 822 1HD1 ILE 103 1HD1 ILE 103 14.508 3.013 16.984 823 2HD1 ILE 103 3HD1 ILE 103 15.041 1.906 18.300 824 3HD1 ILE 103 2HD1 ILE 103 13.376 2.374 18.206 825 H ALA 104 H ALA 104 17.362 6.740 15.819 826 HA ALA 104 HA ALA 104 15.982 8.705 14.834 827 1HB ALA 104 1HB ALA 104 18.180 7.518 13.987 828 2HB ALA 104 3HB ALA 104 17.091 7.046 12.612 829 3HB ALA 104 2HB ALA 104 17.370 8.770 13.047 830 H VAL 105 H VAL 105 13.716 8.006 15.254 831 HA VAL 105 HA VAL 105 12.458 6.443 13.025 832 HB VAL 105 HB VAL 105 11.288 5.684 14.731 833 1HG1 VAL 105 3HG1 VAL 105 12.138 8.073 16.313 834 2HG1 VAL 105 2HG1 VAL 105 10.479 7.584 16.602 835 3HG1 VAL 105 1HG1 VAL 105 11.776 6.378 16.803 836 1HG2 VAL 105 3HG2 VAL 105 9.810 8.243 14.139 837 2HG2 VAL 105 2HG2 VAL 105 9.669 6.724 13.291 838 3HG2 VAL 105 1HG2 VAL 105 9.079 6.830 14.969 839 H ARG 106 H ARG 106 12.032 7.774 11.273 840 HA ARG 106 HA ARG 106 11.868 10.694 11.339 841 1HB ARG 106 2HB ARG 106 12.381 8.578 9.532 842 2HB ARG 106 1HB ARG 106 10.936 9.421 8.892 843 1HG ARG 106 2HG ARG 106 12.154 11.001 8.083 844 2HG ARG 106 1HG ARG 106 12.299 11.551 9.691 845 1HD ARG 106 2HD ARG 106 14.406 11.231 8.080 846 2HD ARG 106 1HD ARG 106 14.654 10.875 9.791 847 HE ARG 106 HE ARG 106 13.756 8.760 7.893 848 1HH1 ARG 106 2HH2 ARG 106 16.401 10.055 9.897 849 2HH1 ARG 106 1HH2 ARG 106 17.411 8.685 9.739 850 1HH2 ARG 106 1HH1 ARG 106 15.087 6.951 7.668 851 2HH2 ARG 106 2HH1 ARG 106 16.611 6.851 8.438 852 H GLU 107 H GLU 107 9.977 8.277 12.240 853 HA GLU 107 HA GLU 107 7.661 7.796 12.281 854 1HB GLU 107 2HB GLU 107 8.718 10.336 13.256 855 2HB GLU 107 1HB GLU 107 6.879 10.338 12.985 856 1HG GLU 107 2HG GLU 107 7.666 7.953 14.312 857 2HG GLU 107 1HG GLU 107 8.509 9.133 15.110 858 H ILE 108 H ILE 108 7.909 11.177 11.411 859 HA ILE 108 HA ILE 108 7.161 12.532 9.839 860 HB ILE 108 HB ILE 108 7.628 10.408 8.424 861 1HG1 ILE 108 2HG1 ILE 108 5.596 12.458 7.494 862 2HG1 ILE 108 1HG1 ILE 108 7.238 12.876 7.966 863 1HG2 ILE 108 2HG2 ILE 108 4.895 9.653 8.960 864 2HG2 ILE 108 1HG2 ILE 108 4.695 10.657 7.559 865 3HG2 ILE 108 3HG2 ILE 108 5.768 9.236 7.443 866 1HD1 ILE 108 1HD1 ILE 108 7.168 10.635 5.973 867 2HD1 ILE 108 3HD1 ILE 108 6.463 12.164 5.332 868 3HD1 ILE 108 2HD1 ILE 108 8.105 12.153 5.925 869 H SER 109 H SER 109 5.242 13.677 9.622 870 HA SER 109 HA SER 109 2.729 12.475 10.009 871 1HB SER 109 2HB SER 109 3.144 12.112 12.299 872 2HB SER 109 1HB SER 109 4.259 13.466 12.436 873 HG SER 109 HG SER 109 2.573 14.797 12.836 874 H GLY 110 H GLY 110 2.080 13.559 8.458 875 1HA GLY 110 1HA GLY 110 1.157 15.273 7.256 876 2HA GLY 110 2HA GLY 110 1.336 16.331 8.736 877 H ASN 111 H ASN 111 2.754 17.857 8.558 878 HA ASN 111 HA ASN 111 4.804 17.664 6.418 879 1HB ASN 111 2HB ASN 111 4.281 20.154 7.932 880 2HB ASN 111 1HB ASN 111 5.401 19.909 6.645 881 1HD2 ASN 111 2HD2 ASN 111 1.415 19.587 5.598 882 2HD2 ASN 111 1HD2 ASN 111 1.978 18.979 7.127 883 H GLU 112 H GLU 112 5.660 15.740 8.065 884 HA GLU 112 HA GLU 112 7.697 17.119 9.765 885 1HB GLU 112 2HB GLU 112 5.548 15.275 10.501 886 2HB GLU 112 1HB GLU 112 7.083 14.657 11.028 887 1HG GLU 112 2HG GLU 112 5.909 16.192 12.784 888 2HG GLU 112 1HG GLU 112 7.533 16.558 12.451 889 H LEU 113 H LEU 113 8.854 15.073 10.735 890 HA LEU 113 HA LEU 113 9.300 12.725 9.281 891 1HB LEU 113 2HB LEU 113 11.407 14.944 8.800 892 2HB LEU 113 1HB LEU 113 11.930 13.297 9.123 893 HG LEU 113 HG LEU 113 10.180 14.150 6.816 894 1HD1 LEU 113 3HD1 LEU 113 13.039 13.405 7.339 895 2HD1 LEU 113 2HD1 LEU 113 12.267 12.338 6.141 896 3HD1 LEU 113 1HD1 LEU 113 12.289 14.113 5.904 897 1HD2 LEU 113 1HD2 LEU 113 10.468 11.590 8.350 898 2HD2 LEU 113 3HD2 LEU 113 9.103 12.165 7.452 899 3HD2 LEU 113 2HD2 LEU 113 10.460 11.382 6.560 900 H ILE 114 H ILE 114 10.414 15.221 11.566 901 HA ILE 114 HA ILE 114 10.616 15.037 13.793 902 HB ILE 114 HB ILE 114 9.769 12.289 14.113 903 1HG1 ILE 114 2HG1 ILE 114 8.277 12.979 11.906 904 2HG1 ILE 114 1HG1 ILE 114 7.802 11.982 13.182 905 1HG2 ILE 114 3HG2 ILE 114 9.977 14.225 15.616 906 2HG2 ILE 114 2HG2 ILE 114 8.349 14.676 15.212 907 3HG2 ILE 114 1HG2 ILE 114 8.650 13.101 15.911 908 1HD1 ILE 114 3HD1 ILE 114 7.082 14.925 13.582 909 2HD1 ILE 114 2HD1 ILE 114 6.151 13.884 12.472 910 3HD1 ILE 114 1HD1 ILE 114 6.312 13.393 14.133 911 H GLN 115 H GLN 115 12.296 12.738 11.811 912 HA GLN 115 HA GLN 115 13.969 11.255 12.264 913 1HB GLN 115 2HB GLN 115 14.478 13.841 13.748 914 2HB GLN 115 1HB GLN 115 15.789 12.725 13.223 915 1HG GLN 115 2HG GLN 115 13.902 13.366 11.025 916 2HG GLN 115 1HG GLN 115 14.513 14.871 11.741 917 1HE2 GLN 115 1HE2 GLN 115 18.042 13.991 11.558 918 2HE2 GLN 115 2HE2 GLN 115 16.853 14.577 12.648 919 H THR 116 H THR 116 13.356 12.867 15.405 920 HA THR 116 HA THR 116 13.281 12.036 17.589 921 HB THR 116 HB THR 116 11.787 9.921 16.022 922 HG1 THR 116 1HG THR 116 10.303 11.264 15.807 923 1HG2 THR 116 2HG2 THR 116 12.378 10.275 18.903 924 2HG2 THR 116 1HG2 THR 116 10.669 10.774 18.684 925 3HG2 THR 116 3HG2 THR 116 11.167 9.166 18.226 926 H TYR 117 H TYR 117 15.788 11.438 16.908 927 HA TYR 117 HA TYR 117 15.820 8.534 17.590 928 1HB TYR 117 2HB TYR 117 18.532 9.396 17.674 929 2HB TYR 117 1HB TYR 117 17.875 8.326 16.653 930 HD1 TYR 117 HD2 TYR 117 16.623 11.630 15.310 931 HD2 TYR 117 HD1 TYR 117 19.978 8.900 15.469 932 HE1 TYR 117 HE2 TYR 117 17.629 12.599 13.373 933 HE2 TYR 117 HE1 TYR 117 20.899 9.909 13.502 934 HH TYR 117 HH TYR 117 19.938 12.874 12.307 935 H THR 118 H THR 118 15.452 8.264 19.484 936 HA THR 118 HA THR 118 16.410 9.975 21.628 937 HB THR 118 HB THR 118 14.667 7.602 21.927 938 HG1 THR 118 1HG THR 118 14.146 9.666 20.567 939 1HG2 THR 118 3HG2 THR 118 16.060 8.834 23.842 940 2HG2 THR 118 2HG2 THR 118 15.098 10.266 23.612 941 3HG2 THR 118 1HG2 THR 118 14.285 8.754 24.148 942 H TYR 119 H TYR 119 18.760 8.934 21.001 943 HA TYR 119 HA TYR 119 19.372 6.282 22.089 944 1HB TYR 119 2HB TYR 119 21.642 6.922 21.947 945 2HB TYR 119 1HB TYR 119 20.907 7.601 20.516 946 HD1 TYR 119 HD1 TYR 119 20.192 10.198 20.702 947 HD2 TYR 119 HD2 TYR 119 22.554 8.158 23.630 948 HE1 TYR 119 HE1 TYR 119 20.916 12.306 21.668 949 HE2 TYR 119 HE2 TYR 119 23.312 10.233 24.613 950 HH TYR 119 HH TYR 119 21.900 13.338 23.618 951 H GLU 120 H GLU 120 19.442 5.719 24.189 952 HA GLU 120 HA GLU 120 19.480 6.029 26.511 953 1HB GLU 120 2HB GLU 120 21.498 6.737 26.543 954 2HB GLU 120 1HB GLU 120 21.285 7.908 25.230 955 1HG GLU 120 2HG GLU 120 21.783 9.384 26.910 956 2HG GLU 120 1HG GLU 120 20.034 9.454 26.896 957 H GLY 121 H GLY 121 17.373 7.820 24.739 958 1HA GLY 121 1HA GLY 121 15.284 8.554 25.879 959 2HA GLY 121 2HA GLY 121 16.103 8.806 27.276 960 H VAL 122 H VAL 122 17.511 9.962 24.247 961 HA VAL 122 HA VAL 122 17.079 12.772 25.122 962 HB VAL 122 HB VAL 122 18.880 11.362 23.157 963 1HG1 VAL 122 1HG1 VAL 122 18.027 14.218 23.231 964 2HG1 VAL 122 3HG1 VAL 122 19.805 14.040 23.221 965 3HG1 VAL 122 2HG1 VAL 122 18.835 13.298 21.953 966 1HG2 VAL 122 2HG2 VAL 122 18.989 11.961 25.949 967 2HG2 VAL 122 1HG2 VAL 122 20.366 11.475 24.981 968 3HG2 VAL 122 3HG2 VAL 122 20.082 13.195 25.237 969 H GLU 123 H GLU 123 17.492 11.667 21.887 970 HA GLU 123 HA GLU 123 15.910 11.403 20.051 971 1HB GLU 123 2HB GLU 123 13.890 12.034 21.801 972 2HB GLU 123 1HB GLU 123 14.302 13.674 21.489 973 1HG GLU 123 2HG GLU 123 14.085 13.061 18.968 974 2HG GLU 123 1HG GLU 123 13.724 11.524 19.401 975 H ALA 124 H ALA 124 16.564 12.372 18.373 976 HA ALA 124 HA ALA 124 16.971 15.287 18.674 977 1HB ALA 124 1HB ALA 124 18.943 13.328 17.408 978 2HB ALA 124 3HB ALA 124 18.883 14.994 16.855 979 3HB ALA 124 2HB ALA 124 19.328 14.622 18.580 980 H LYS 125 H LYS 125 15.805 16.360 17.448 981 HA LYS 125 HA LYS 125 15.407 15.394 14.682 982 1HB LYS 125 2HB LYS 125 12.799 16.174 15.773 983 2HB LYS 125 1HB LYS 125 13.308 14.809 14.793 984 1HG LYS 125 2HG LYS 125 12.699 13.732 16.989 985 2HG LYS 125 1HG LYS 125 14.352 13.944 17.208 986 1HD LYS 125 2HD LYS 125 13.033 14.808 19.044 987 2HD LYS 125 1HD LYS 125 14.260 15.819 18.456 988 1HE LYS 125 2HE LYS 125 12.591 17.384 17.357 989 2HE LYS 125 1HE LYS 125 11.299 16.175 17.692 990 1HZ LYS 125 2HZ LYS 125 12.668 17.106 20.013 991 2HZ LYS 125 1HZ LYS 125 11.739 18.272 19.186 992 3HZ LYS 125 3HZ LYS 125 11.005 16.891 19.739 993 H ARG 126 H ARG 126 13.286 17.070 14.070 994 HA ARG 126 HA ARG 126 13.022 19.655 15.114 995 1HB ARG 126 2HB ARG 126 15.574 19.426 13.759 996 2HB ARG 126 1HB ARG 126 14.488 20.826 13.337 997 1HG ARG 126 2HG ARG 126 14.980 20.243 16.290 998 2HG ARG 126 1HG ARG 126 16.127 21.319 15.294 999 1HD ARG 126 2HD ARG 126 13.721 22.224 14.487 1000 2HD ARG 126 1HD ARG 126 13.342 21.613 16.147 1001 HE ARG 126 HE ARG 126 15.776 23.115 16.059 1002 1HH1 ARG 126 2HH2 ARG 126 12.331 23.570 16.327 1003 2HH1 ARG 126 1HH2 ARG 126 12.410 25.112 17.152 1004 1HH2 ARG 126 1HH1 ARG 126 14.592 25.962 17.594 1005 2HH2 ARG 126 2HH1 ARG 126 15.958 25.010 17.072 1006 H ILE 127 H ILE 127 14.075 17.781 12.400 1007 HA ILE 127 HA ILE 127 12.472 16.887 10.881 1008 HB ILE 127 HB ILE 127 11.193 19.625 11.033 1009 1HG1 ILE 127 2HG1 ILE 127 9.322 18.306 11.593 1010 2HG1 ILE 127 1HG1 ILE 127 10.022 16.849 10.875 1011 1HG2 ILE 127 1HG2 ILE 127 11.506 19.453 8.775 1012 2HG2 ILE 127 3HG2 ILE 127 10.666 17.859 8.746 1013 3HG2 ILE 127 2HG2 ILE 127 9.809 19.349 9.152 1014 1HD1 ILE 127 1HD1 ILE 127 11.549 16.689 12.973 1015 2HD1 ILE 127 3HD1 ILE 127 10.755 18.160 13.645 1016 3HD1 ILE 127 2HD1 ILE 127 9.850 16.707 13.406 1017 H PHE 128 H PHE 128 12.231 16.875 8.868 1018 HA PHE 128 HA PHE 128 14.391 17.047 7.212 1019 1HB PHE 128 2HB PHE 128 12.694 16.553 5.475 1020 2HB PHE 128 1HB PHE 128 12.160 15.716 6.877 1021 HD1 PHE 128 HD1 PHE 128 11.643 19.124 5.251 1022 HD2 PHE 128 HD2 PHE 128 9.929 15.918 7.368 1023 HE1 PHE 128 HE1 PHE 128 9.485 20.227 5.006 1024 HE2 PHE 128 HE2 PHE 128 7.685 17.014 7.126 1025 HZ PHE 128 HZ PHE 128 7.468 19.163 5.960 1026 H LYS 129 H LYS 129 14.634 17.808 5.369 1027 HA LYS 129 HA LYS 129 13.907 20.592 4.934 1028 1HB LYS 129 2HB LYS 129 16.355 20.158 5.650 1029 2HB LYS 129 1HB LYS 129 16.584 19.968 3.891 1030 1HG LYS 129 2HG LYS 129 15.099 22.181 5.394 1031 2HG LYS 129 1HG LYS 129 16.760 22.326 5.062 1032 1HD LYS 129 2HD LYS 129 16.235 23.316 3.017 1033 2HD LYS 129 1HD LYS 129 15.472 21.885 2.484 1034 1HE LYS 129 2HE LYS 129 13.418 22.816 2.682 1035 2HE LYS 129 1HE LYS 129 13.598 22.992 4.392 1036 1HZ LYS 129 3HZ LYS 129 14.632 25.125 4.108 1037 2HZ LYS 129 2HZ LYS 129 14.373 25.062 2.414 1038 3HZ LYS 129 1HZ LYS 129 13.064 25.079 3.442 1039 H LYS 130 H LYS 130 12.946 18.042 4.411 1040 HA LYS 130 HA LYS 130 12.581 16.776 2.299 1041 1HB LYS 130 2HB LYS 130 10.691 16.753 2.944 1042 2HB LYS 130 1HB LYS 130 10.574 18.522 3.360 1043 1HG LYS 130 2HG LYS 130 10.529 17.530 0.501 1044 2HG LYS 130 1HG LYS 130 9.234 16.996 1.451 1045 1HD LYS 130 2HD LYS 130 9.453 19.820 2.011 1046 2HD LYS 130 1HD LYS 130 9.705 19.723 0.313 1047 1HE LYS 130 2HE LYS 130 7.520 18.771 -0.129 1048 2HE LYS 130 1HE LYS 130 7.223 18.319 1.578 1049 1HZ LYS 130 3HZ LYS 130 7.460 21.088 0.655 1050 2HZ LYS 130 2HZ LYS 130 5.999 20.222 0.804 1051 3HZ LYS 130 1HZ LYS 130 6.946 20.492 2.180 1052 H GLU 131 H GLU 131 12.206 16.674 0.337 1053 HA GLU 131 HA GLU 131 12.542 19.108 -1.233 1054 1HB GLU 131 2HB GLU 131 14.634 18.117 -0.256 1055 2HB GLU 131 1HB GLU 131 14.642 16.996 -1.155 1056 1HG GLU 131 2HG GLU 131 16.247 18.542 -1.975 1057 2HG GLU 131 1HG GLU 131 15.037 18.633 -3.247 No H/Q in entry = 1057 Start of MODEL 18 1 1H ALA 1 1H ALA 1 4.237 6.764 2.811 2 2H ALA 1 3H ALA 1 4.116 6.872 4.448 3 3H ALA 1 2H ALA 1 2.740 6.893 3.499 4 HA ALA 1 HA ALA 1 3.157 8.981 2.649 5 1HB ALA 1 3HB ALA 1 2.678 8.453 5.305 6 2HB ALA 1 2HB ALA 1 4.265 9.195 5.495 7 3HB ALA 1 1HB ALA 1 3.009 10.140 4.711 8 H PHE 2 H PHE 2 5.918 8.404 5.036 9 HA PHE 2 HA PHE 2 7.783 10.106 3.997 10 1HB PHE 2 2HB PHE 2 9.290 7.761 4.317 11 2HB PHE 2 1HB PHE 2 9.275 9.293 5.295 12 HD1 PHE 2 HD1 PHE 2 6.913 6.316 4.876 13 HD2 PHE 2 HD2 PHE 2 9.136 8.804 7.532 14 HE1 PHE 2 HE1 PHE 2 6.051 5.089 6.830 15 HE2 PHE 2 HE2 PHE 2 8.297 7.619 9.461 16 HZ PHE 2 HZ PHE 2 6.715 5.708 9.159 17 H ASP 3 H ASP 3 7.919 10.457 1.815 18 HA ASP 3 HA ASP 3 9.324 8.517 0.095 19 1HB ASP 3 2HB ASP 3 6.827 8.146 -0.084 20 2HB ASP 3 1HB ASP 3 6.808 9.672 -1.072 21 H GLY 4 H GLY 4 10.540 9.523 -1.457 22 1HA GLY 4 1HA GLY 4 10.711 11.649 -2.963 23 2HA GLY 4 2HA GLY 4 10.154 12.480 -1.612 24 H THR 5 H THR 5 11.250 13.191 -0.143 25 HA THR 5 HA THR 5 14.172 13.137 0.382 26 HB THR 5 HB THR 5 14.616 15.176 -0.015 27 HG1 THR 5 1HG THR 5 11.959 15.148 -1.017 28 1HG2 THR 5 1HG2 THR 5 14.403 13.364 -2.156 29 2HG2 THR 5 3HG2 THR 5 13.308 14.585 -2.770 30 3HG2 THR 5 2HG2 THR 5 15.030 15.021 -2.472 31 H TRP 6 H TRP 6 14.721 14.352 1.865 32 HA TRP 6 HA TRP 6 12.916 15.506 3.887 33 1HB TRP 6 2HB TRP 6 14.295 12.709 3.767 34 2HB TRP 6 1HB TRP 6 13.913 13.598 5.224 35 HD1 TRP 6 HD1 TRP 6 12.579 10.815 3.531 36 HE1 TRP 6 HE1 TRP 6 10.081 10.480 3.323 37 HE3 TRP 6 HE3 TRP 6 11.099 15.526 4.757 38 HZ2 TRP 6 HZ2 TRP 6 7.782 11.989 3.585 39 HZ3 TRP 6 HZ3 TRP 6 8.681 15.972 4.739 40 HH2 TRP 6 HH2 TRP 6 7.050 14.211 4.154 41 H LYS 7 H LYS 7 14.360 15.898 5.826 42 HA LYS 7 HA LYS 7 17.274 15.613 5.307 43 1HB LYS 7 2HB LYS 7 16.258 18.370 5.504 44 2HB LYS 7 1HB LYS 7 17.743 17.803 4.901 45 1HG LYS 7 2HG LYS 7 16.552 16.648 3.040 46 2HG LYS 7 1HG LYS 7 15.071 17.227 3.315 47 1HD LYS 7 2HD LYS 7 15.783 18.625 1.635 48 2HD LYS 7 1HD LYS 7 16.612 19.638 2.792 49 1HE LYS 7 2HE LYS 7 18.372 17.389 2.202 50 2HE LYS 7 1HE LYS 7 17.886 18.233 0.725 51 1HZ LYS 7 3HZ LYS 7 18.599 20.266 1.691 52 2HZ LYS 7 2HZ LYS 7 19.029 19.482 3.105 53 3HZ LYS 7 1HZ LYS 7 19.864 19.154 1.657 54 H VAL 8 H VAL 8 17.559 18.202 6.847 55 HA VAL 8 HA VAL 8 16.120 17.778 9.330 56 HB VAL 8 HB VAL 8 19.013 17.347 9.209 57 1HG1 VAL 8 2HG1 VAL 8 17.580 19.046 11.084 58 2HG1 VAL 8 1HG1 VAL 8 17.931 17.597 11.980 59 3HG1 VAL 8 3HG1 VAL 8 19.238 18.568 11.210 60 1HG2 VAL 8 3HG2 VAL 8 16.604 15.814 10.112 61 2HG2 VAL 8 2HG2 VAL 8 17.931 15.238 9.144 62 3HG2 VAL 8 1HG2 VAL 8 18.187 15.445 10.890 63 H ASP 9 H ASP 9 15.250 19.557 8.208 64 HA ASP 9 HA ASP 9 16.428 21.992 7.442 65 1HB ASP 9 2HB ASP 9 14.038 20.970 7.647 66 2HB ASP 9 1HB ASP 9 14.063 21.615 9.220 67 H ARG 10 H ARG 10 15.257 20.786 10.549 68 HA ARG 10 HA ARG 10 16.994 22.838 11.936 69 1HB ARG 10 2HB ARG 10 14.835 22.736 13.567 70 2HB ARG 10 1HB ARG 10 15.076 23.904 12.269 71 1HG ARG 10 2HG ARG 10 13.656 21.455 11.357 72 2HG ARG 10 1HG ARG 10 12.877 22.269 12.708 73 1HD ARG 10 2HD ARG 10 13.438 24.494 11.321 74 2HD ARG 10 1HD ARG 10 13.294 23.367 9.945 75 HE ARG 10 HE ARG 10 11.213 24.395 11.619 76 1HH1 ARG 10 2HH1 ARG 10 12.085 21.511 9.801 77 2HH1 ARG 10 1HH1 ARG 10 10.430 20.997 9.590 78 1HH2 ARG 10 1HH2 ARG 10 9.073 23.741 11.335 79 2HH2 ARG 10 2HH2 ARG 10 8.712 22.278 10.461 80 H ASN 11 H ASN 11 17.614 22.113 14.093 81 HA ASN 11 HA ASN 11 17.194 19.179 14.521 82 1HB ASN 11 2HB ASN 11 19.472 18.904 15.018 83 2HB ASN 11 1HB ASN 11 19.338 19.414 13.385 84 1HD2 ASN 11 2HD2 ASN 11 20.815 22.698 13.959 85 2HD2 ASN 11 1HD2 ASN 11 19.471 21.996 13.091 86 H GLU 12 H GLU 12 16.851 18.694 16.495 87 HA GLU 12 HA GLU 12 16.933 20.830 18.554 88 1HB GLU 12 2HB GLU 12 14.898 19.427 18.142 89 2HB GLU 12 1HB GLU 12 15.654 18.112 18.939 90 1HG GLU 12 2HG GLU 12 15.148 20.935 20.114 91 2HG GLU 12 1HG GLU 12 14.098 19.621 20.359 92 H ASN 13 H ASN 13 17.275 17.423 19.552 93 HA ASN 13 HA ASN 13 19.699 17.977 21.049 94 1HB ASN 13 2HB ASN 13 17.466 16.380 21.343 95 2HB ASN 13 1HB ASN 13 18.708 15.231 20.941 96 1HD2 ASN 13 1HD2 ASN 13 20.877 16.522 23.786 97 2HD2 ASN 13 2HD2 ASN 13 21.082 16.244 22.102 98 H TYR 14 H TYR 14 19.819 17.901 17.931 99 HA TYR 14 HA TYR 14 20.956 15.459 17.093 100 1HB TYR 14 2HB TYR 14 19.596 17.039 15.976 101 2HB TYR 14 1HB TYR 14 21.013 18.016 15.705 102 HD1 TYR 14 HD1 TYR 14 23.221 16.061 15.082 103 HD2 TYR 14 HD2 TYR 14 19.016 15.809 14.127 104 HE1 TYR 14 HE1 TYR 14 23.715 14.525 13.264 105 HE2 TYR 14 HE2 TYR 14 19.531 14.274 12.301 106 HH TYR 14 HH TYR 14 21.113 13.359 11.080 107 H GLU 15 H GLU 15 22.491 18.678 18.041 108 HA GLU 15 HA GLU 15 25.144 17.884 17.293 109 1HB GLU 15 2HB GLU 15 24.437 20.245 17.674 110 2HB GLU 15 1HB GLU 15 24.630 19.850 19.432 111 1HG GLU 15 2HG GLU 15 26.990 19.019 18.925 112 2HG GLU 15 1HG GLU 15 26.769 19.681 17.280 113 H LYS 16 H LYS 16 23.437 17.765 20.487 114 HA LYS 16 HA LYS 16 25.815 16.686 21.791 115 1HB LYS 16 2HB LYS 16 23.704 17.957 22.777 116 2HB LYS 16 1HB LYS 16 23.310 16.256 23.130 117 1HG LYS 16 2HG LYS 16 25.324 15.951 24.384 118 2HG LYS 16 1HG LYS 16 26.143 17.369 23.677 119 1HD LYS 16 2HD LYS 16 23.901 18.564 24.784 120 2HD LYS 16 1HD LYS 16 24.076 17.262 25.819 121 1HE LYS 16 2HE LYS 16 25.291 19.101 26.865 122 2HE LYS 16 1HE LYS 16 26.549 17.980 26.300 123 1HZ LYS 16 1HZ LYS 16 25.585 20.249 24.679 124 2HZ LYS 16 3HZ LYS 16 26.818 20.362 25.790 125 3HZ LYS 16 2HZ LYS 16 26.983 19.314 24.456 126 H PHE 17 H PHE 17 23.203 15.403 19.906 127 HA PHE 17 HA PHE 17 23.076 12.735 20.837 128 1HB PHE 17 2HB PHE 17 21.241 13.129 19.514 129 2HB PHE 17 1HB PHE 17 22.168 14.333 18.560 130 HD1 PHE 17 HD1 PHE 17 22.768 10.673 19.002 131 HD2 PHE 17 HD2 PHE 17 21.711 13.864 16.361 132 HE1 PHE 17 HE1 PHE 17 22.862 9.081 16.997 133 HE2 PHE 17 HE2 PHE 17 21.800 12.346 14.490 134 HZ PHE 17 HZ PHE 17 22.380 9.936 14.765 135 H MET 18 H MET 18 25.020 14.268 18.351 136 HA MET 18 HA MET 18 26.313 11.855 17.337 137 1HB MET 18 2HB MET 18 26.368 14.820 16.979 138 2HB MET 18 1HB MET 18 27.926 13.931 16.713 139 1HG MET 18 2HG MET 18 26.652 12.391 15.182 140 2HG MET 18 1HG MET 18 25.223 13.375 15.367 141 1HE MET 18 1HE MET 18 26.767 12.404 12.959 142 2HE MET 18 3HE MET 18 25.376 13.424 12.478 143 3HE MET 18 2HE MET 18 26.957 13.726 11.742 144 H GLU 19 H GLU 19 27.141 14.670 19.253 145 HA GLU 19 HA GLU 19 29.743 14.410 19.833 146 1HB GLU 19 2HB GLU 19 27.584 15.856 20.858 147 2HB GLU 19 1HB GLU 19 28.028 14.908 22.238 148 1HG GLU 19 2HG GLU 19 29.322 16.745 22.642 149 2HG GLU 19 1HG GLU 19 30.466 15.602 21.929 150 H LYS 20 H LYS 20 27.072 13.008 21.730 151 HA LYS 20 HA LYS 20 28.653 12.001 23.812 152 1HB LYS 20 2HB LYS 20 25.846 11.290 23.124 153 2HB LYS 20 1HB LYS 20 26.774 10.845 24.596 154 1HG LYS 20 2HG LYS 20 27.131 13.048 25.285 155 2HG LYS 20 1HG LYS 20 26.648 13.684 23.642 156 1HD LYS 20 2HD LYS 20 24.665 14.080 24.794 157 2HD LYS 20 1HD LYS 20 24.437 12.473 24.120 158 1HE LYS 20 2HE LYS 20 24.349 11.449 26.060 159 2HE LYS 20 1HE LYS 20 25.747 12.433 26.756 160 1HZ LYS 20 2HZ LYS 20 23.214 13.797 26.218 161 2HZ LYS 20 1HZ LYS 20 23.221 12.778 27.537 162 3HZ LYS 20 3HZ LYS 20 24.373 14.042 27.406 163 H MET 21 H MET 21 27.830 10.447 20.727 164 HA MET 21 HA MET 21 28.482 7.708 21.359 165 1HB MET 21 2HB MET 21 28.869 9.194 18.786 166 2HB MET 21 1HB MET 21 28.920 7.396 19.072 167 1HG MET 21 2HG MET 21 26.395 8.736 20.018 168 2HG MET 21 1HG MET 21 26.751 8.893 18.263 169 1HE MET 21 3HE MET 21 26.692 7.302 16.547 170 2HE MET 21 2HE MET 21 28.197 6.658 17.234 171 3HE MET 21 1HE MET 21 26.927 5.521 16.761 172 H GLY 22 H GLY 22 30.149 10.658 20.593 173 1HA GLY 22 1HA GLY 22 32.347 11.024 21.505 174 2HA GLY 22 2HA GLY 22 32.925 9.537 20.739 175 H ILE 23 H ILE 23 30.628 11.465 18.933 176 HA ILE 23 HA ILE 23 32.169 11.979 16.660 177 HB ILE 23 HB ILE 23 29.875 13.390 18.013 178 1HG1 ILE 23 2HG1 ILE 23 28.529 12.082 16.720 179 2HG1 ILE 23 1HG1 ILE 23 29.541 12.375 15.319 180 1HG2 ILE 23 1HG2 ILE 23 31.328 15.046 16.546 181 2HG2 ILE 23 3HG2 ILE 23 30.827 14.074 15.173 182 3HG2 ILE 23 2HG2 ILE 23 29.609 14.888 16.116 183 1HD1 ILE 23 3HD1 ILE 23 30.300 10.269 17.450 184 2HD1 ILE 23 2HD1 ILE 23 29.466 9.976 15.950 185 3HD1 ILE 23 1HD1 ILE 23 31.123 10.564 15.885 186 H ASN 24 H ASN 24 32.397 13.572 19.876 187 HA ASN 24 HA ASN 24 33.988 14.991 20.615 188 1HB ASN 24 2HB ASN 24 35.419 13.545 19.356 189 2HB ASN 24 1HB ASN 24 35.684 14.926 18.292 190 1HD2 ASN 24 1HD2 ASN 24 37.540 14.731 21.877 191 2HD2 ASN 24 2HD2 ASN 24 36.642 13.436 21.112 192 H VAL 25 H VAL 25 34.526 17.185 20.572 193 HA VAL 25 HA VAL 25 32.684 18.885 19.299 194 HB VAL 25 HB VAL 25 33.222 20.619 20.150 195 1HG1 VAL 25 2HG1 VAL 25 32.326 18.444 21.410 196 2HG1 VAL 25 1HG1 VAL 25 33.806 18.506 22.335 197 3HG1 VAL 25 3HG1 VAL 25 32.646 19.884 22.361 198 1HG2 VAL 25 2HG2 VAL 25 35.946 19.976 20.072 199 2HG2 VAL 25 1HG2 VAL 25 35.297 21.188 21.226 200 3HG2 VAL 25 3HG2 VAL 25 35.641 19.513 21.737 201 H VAL 26 H VAL 26 35.719 17.854 17.935 202 HA VAL 26 HA VAL 26 36.455 20.097 16.437 203 HB VAL 26 HB VAL 26 37.157 17.379 16.671 204 1HG1 VAL 26 2HG1 VAL 26 36.092 17.035 14.401 205 2HG1 VAL 26 1HG1 VAL 26 37.224 18.235 13.712 206 3HG1 VAL 26 3HG1 VAL 26 37.814 16.740 14.396 207 1HG2 VAL 26 3HG2 VAL 26 38.477 19.640 16.796 208 2HG2 VAL 26 2HG2 VAL 26 39.312 18.484 15.777 209 3HG2 VAL 26 1HG2 VAL 26 38.342 19.756 15.009 210 H LYS 27 H LYS 27 33.848 17.938 16.141 211 HA LYS 27 HA LYS 27 33.046 18.516 13.384 212 1HB LYS 27 2HB LYS 27 31.791 17.097 15.672 213 2HB LYS 27 1HB LYS 27 30.969 17.453 14.133 214 1HG LYS 27 2HG LYS 27 33.672 16.014 14.062 215 2HG LYS 27 1HG LYS 27 32.331 15.131 14.630 216 1HD LYS 27 2HD LYS 27 32.737 16.280 11.819 217 2HD LYS 27 1HD LYS 27 32.642 14.608 12.299 218 1HE LYS 27 2HE LYS 27 30.226 14.836 12.914 219 2HE LYS 27 1HE LYS 27 30.241 16.533 12.465 220 1HZ LYS 27 2HZ LYS 27 31.071 14.667 10.427 221 2HZ LYS 27 1HZ LYS 27 29.443 14.643 10.890 222 3HZ LYS 27 3HZ LYS 27 30.180 16.068 10.314 223 H ARG 28 H ARG 28 32.555 19.905 16.656 224 HA ARG 28 HA ARG 28 30.118 21.168 16.320 225 1HB ARG 28 2HB ARG 28 30.330 22.007 18.192 226 2HB ARG 28 1HB ARG 28 31.865 21.128 18.360 227 1HG ARG 28 2HG ARG 28 32.902 23.237 17.267 228 2HG ARG 28 1HG ARG 28 31.355 24.069 17.584 229 1HD ARG 28 2HD ARG 28 31.900 24.452 19.666 230 2HD ARG 28 1HD ARG 28 31.934 22.808 20.014 231 HE ARG 28 HE ARG 28 34.330 22.730 19.547 232 1HH1 ARG 28 2HH1 ARG 28 32.964 26.049 19.882 233 2HH1 ARG 28 1HH1 ARG 28 34.527 26.725 20.262 234 1HH2 ARG 28 1HH2 ARG 28 36.343 23.788 20.079 235 2HH2 ARG 28 2HH2 ARG 28 36.368 25.481 20.374 236 H LYS 29 H LYS 29 33.199 21.725 14.946 237 HA LYS 29 HA LYS 29 33.288 24.487 14.335 238 1HB LYS 29 2HB LYS 29 34.625 22.060 13.302 239 2HB LYS 29 1HB LYS 29 34.571 23.577 12.309 240 1HG LYS 29 2HG LYS 29 36.529 23.802 13.663 241 2HG LYS 29 1HG LYS 29 35.273 24.752 14.484 242 1HD LYS 29 2HD LYS 29 34.995 23.297 16.215 243 2HD LYS 29 1HD LYS 29 35.672 21.912 15.377 244 1HE LYS 29 2HE LYS 29 37.925 23.117 15.369 245 2HE LYS 29 1HE LYS 29 37.213 24.279 16.546 246 1HZ LYS 29 1HZ LYS 29 36.693 22.189 17.878 247 2HZ LYS 29 3HZ LYS 29 37.791 21.419 16.807 248 3HZ LYS 29 2HZ LYS 29 38.299 22.665 17.786 249 H LEU 30 H LEU 30 31.421 25.377 13.198 250 HA LEU 30 HA LEU 30 29.939 25.649 11.424 251 1HB LEU 30 2HB LEU 30 31.999 23.969 9.961 252 2HB LEU 30 1HB LEU 30 30.514 24.620 9.251 253 HG LEU 30 HG LEU 30 31.271 26.862 9.441 254 1HD1 LEU 30 1HD1 LEU 30 33.246 25.783 11.556 255 2HD1 LEU 30 3HD1 LEU 30 33.474 27.337 10.733 256 3HD1 LEU 30 2HD1 LEU 30 32.026 27.092 11.691 257 1HD2 LEU 30 3HD2 LEU 30 33.579 25.038 8.641 258 2HD2 LEU 30 2HD2 LEU 30 32.549 26.054 7.620 259 3HD2 LEU 30 1HD2 LEU 30 33.759 26.799 8.671 260 H GLY 31 H GLY 31 29.908 23.169 13.352 261 1HA GLY 31 1HA GLY 31 28.334 21.305 11.679 262 2HA GLY 31 2HA GLY 31 29.049 20.897 13.261 263 H ALA 32 H ALA 32 26.766 20.131 13.583 264 HA ALA 32 HA ALA 32 24.853 20.362 14.849 265 1HB ALA 32 3HB ALA 32 26.420 22.039 16.039 266 2HB ALA 32 2HB ALA 32 25.224 23.221 15.401 267 3HB ALA 32 1HB ALA 32 24.657 21.844 16.420 268 H HIS 33 H HIS 33 25.305 23.080 12.415 269 HA HIS 33 HA HIS 33 22.376 23.203 12.200 270 1HB HIS 33 2HB HIS 33 22.797 25.129 10.716 271 2HB HIS 33 1HB HIS 33 24.060 25.229 11.969 272 HD1 HIS 33 HD1 HIS 33 25.564 22.638 10.176 273 HD2 HIS 33 HD2 HIS 33 24.579 26.630 9.146 274 HE1 HIS 33 HE1 HIS 33 27.073 23.318 8.248 275 HE2 HIS 33 HE2 HIS 33 26.452 25.721 7.662 276 H ASP 34 H ASP 34 24.119 20.820 11.380 277 HA ASP 34 HA ASP 34 24.490 20.225 8.855 278 1HB ASP 34 2HB ASP 34 24.421 18.784 10.909 279 2HB ASP 34 1HB ASP 34 22.792 18.333 10.324 280 H ASN 35 H ASN 35 23.727 19.283 7.195 281 HA ASN 35 HA ASN 35 20.860 19.676 6.506 282 1HB ASN 35 2HB ASN 35 23.324 21.042 5.600 283 2HB ASN 35 1HB ASN 35 22.619 20.140 4.261 284 1HD2 ASN 35 1HD2 ASN 35 20.077 22.935 5.996 285 2HD2 ASN 35 2HD2 ASN 35 21.142 21.994 7.010 286 H LEU 36 H LEU 36 20.748 17.322 6.856 287 HA LEU 36 HA LEU 36 22.313 15.763 4.827 288 1HB LEU 36 2HB LEU 36 23.005 15.167 6.870 289 2HB LEU 36 1HB LEU 36 21.399 15.163 7.575 290 HG LEU 36 HG LEU 36 22.149 13.327 5.320 291 1HD1 LEU 36 1HD1 LEU 36 23.398 13.390 8.010 292 2HD1 LEU 36 3HD1 LEU 36 22.700 11.823 7.713 293 3HD1 LEU 36 2HD1 LEU 36 23.951 12.439 6.601 294 1HD2 LEU 36 3HD2 LEU 36 20.089 13.459 7.578 295 2HD2 LEU 36 2HD2 LEU 36 19.947 12.673 6.000 296 3HD2 LEU 36 1HD2 LEU 36 20.702 11.823 7.372 297 H LYS 37 H LYS 37 20.829 15.609 3.140 298 HA LYS 37 HA LYS 37 18.042 15.489 3.587 299 1HB LYS 37 2HB LYS 37 19.338 15.892 1.335 300 2HB LYS 37 1HB LYS 37 19.331 14.124 1.249 301 1HG LYS 37 2HG LYS 37 16.796 14.230 1.475 302 2HG LYS 37 1HG LYS 37 16.968 16.031 1.311 303 1HD LYS 37 2HD LYS 37 17.151 13.861 -0.697 304 2HD LYS 37 1HD LYS 37 16.590 15.514 -0.772 305 1HE LYS 37 2HE LYS 37 19.512 14.519 -0.653 306 2HE LYS 37 1HE LYS 37 18.700 14.975 -2.143 307 1HZ LYS 37 3HZ LYS 37 18.530 17.241 -0.755 308 2HZ LYS 37 2HZ LYS 37 20.054 16.648 -0.238 309 3HZ LYS 37 1HZ LYS 37 19.708 16.861 -1.861 310 H LEU 38 H LEU 38 17.667 13.750 5.334 311 HA LEU 38 HA LEU 38 18.791 11.211 5.442 312 1HB LEU 38 2HB LEU 38 16.461 12.301 6.666 313 2HB LEU 38 1HB LEU 38 15.773 11.409 5.403 314 HG LEU 38 HG LEU 38 15.896 10.438 7.721 315 1HD1 LEU 38 1HD1 LEU 38 16.137 9.113 5.031 316 2HD1 LEU 38 3HD1 LEU 38 16.650 8.076 6.405 317 3HD1 LEU 38 2HD1 LEU 38 15.033 8.809 6.352 318 1HD2 LEU 38 3HD2 LEU 38 18.607 10.768 7.445 319 2HD2 LEU 38 2HD2 LEU 38 17.883 9.524 8.499 320 3HD2 LEU 38 1HD2 LEU 38 18.438 9.081 6.847 321 H THR 39 H THR 39 16.395 12.786 3.548 322 HA THR 39 HA THR 39 15.061 12.423 1.903 323 HB THR 39 HB THR 39 16.915 10.412 0.657 324 HG1 THR 39 1HG THR 39 17.846 12.456 1.667 325 1HG2 THR 39 3HG2 THR 39 14.816 11.241 -0.517 326 2HG2 THR 39 2HG2 THR 39 15.603 12.824 -0.809 327 3HG2 THR 39 1HG2 THR 39 16.326 11.400 -1.488 328 H ILE 40 H ILE 40 13.231 10.799 1.395 329 HA ILE 40 HA ILE 40 13.959 7.930 1.966 330 HB ILE 40 HB ILE 40 11.482 9.221 3.082 331 1HG1 ILE 40 2HG1 ILE 40 13.477 7.684 4.773 332 2HG1 ILE 40 1HG1 ILE 40 14.071 9.181 4.166 333 1HG2 ILE 40 1HG2 ILE 40 12.241 6.403 2.499 334 2HG2 ILE 40 3HG2 ILE 40 11.519 6.721 4.089 335 3HG2 ILE 40 2HG2 ILE 40 10.671 7.156 2.624 336 1HD1 ILE 40 3HD1 ILE 40 11.464 9.738 5.276 337 2HD1 ILE 40 2HD1 ILE 40 12.337 8.712 6.413 338 3HD1 ILE 40 1HD1 ILE 40 13.037 10.292 5.910 339 H THR 41 H THR 41 13.310 6.519 0.452 340 HA THR 41 HA THR 41 10.896 7.303 -1.158 341 HB THR 41 HB THR 41 13.516 6.630 -2.342 342 HG1 THR 41 1HG THR 41 12.565 8.589 -3.570 343 1HG2 THR 41 1HG2 THR 41 10.640 6.439 -3.326 344 2HG2 THR 41 3HG2 THR 41 11.812 7.005 -4.520 345 3HG2 THR 41 2HG2 THR 41 11.974 5.389 -3.757 346 H GLN 42 H GLN 42 9.672 5.853 -0.370 347 HA GLN 42 HA GLN 42 10.004 3.222 0.455 348 1HB GLN 42 2HB GLN 42 7.936 5.080 -0.562 349 2HB GLN 42 1HB GLN 42 7.694 3.543 -1.323 350 1HG GLN 42 2HG GLN 42 7.117 4.481 1.390 351 2HG GLN 42 1HG GLN 42 6.403 3.134 0.531 352 1HE2 GLN 42 1HE2 GLN 42 8.914 2.688 3.636 353 2HE2 GLN 42 2HE2 GLN 42 8.182 4.136 3.066 354 H GLU 43 H GLU 43 10.258 1.297 -0.498 355 HA GLU 43 HA GLU 43 9.959 0.981 -3.435 356 1HB GLU 43 2HB GLU 43 12.468 1.157 -1.916 357 2HB GLU 43 1HB GLU 43 12.313 -0.405 -2.741 358 1HG GLU 43 2HG GLU 43 11.675 1.978 -4.435 359 2HG GLU 43 1HG GLU 43 13.440 1.620 -4.025 360 H GLY 44 H GLY 44 8.031 -0.035 -2.586 361 1HA GLY 44 1HA GLY 44 6.809 -1.875 -1.799 362 2HA GLY 44 2HA GLY 44 8.305 -2.840 -1.928 363 H ASN 45 H ASN 45 9.764 -2.845 -0.233 364 HA ASN 45 HA ASN 45 8.697 -2.067 2.405 365 1HB ASN 45 2HB ASN 45 10.933 -4.109 2.226 366 2HB ASN 45 1HB ASN 45 9.631 -3.928 3.387 367 1HD2 ASN 45 1HD2 ASN 45 7.184 -5.322 0.849 368 2HD2 ASN 45 2HD2 ASN 45 7.350 -3.813 1.687 369 H LYS 46 H LYS 46 11.908 -2.832 1.015 370 HA LYS 46 HA LYS 46 13.482 -1.012 2.471 371 1HB LYS 46 2HB LYS 46 14.904 -2.123 1.072 372 2HB LYS 46 1HB LYS 46 13.623 -2.308 -0.168 373 1HG LYS 46 2HG LYS 46 14.158 0.056 -0.938 374 2HG LYS 46 1HG LYS 46 15.528 0.056 0.176 375 1HD LYS 46 2HD LYS 46 16.189 -0.614 -2.128 376 2HD LYS 46 1HD LYS 46 16.459 -1.880 -0.938 377 1HE LYS 46 2HE LYS 46 15.152 -3.276 -2.236 378 2HE LYS 46 1HE LYS 46 13.778 -2.226 -2.073 379 1HZ LYS 46 1HZ LYS 46 15.912 -1.794 -4.055 380 2HZ LYS 46 3HZ LYS 46 14.564 -2.756 -4.364 381 3HZ LYS 46 2HZ LYS 46 14.342 -1.128 -4.024 382 H PHE 47 H PHE 47 14.594 0.798 1.734 383 HA PHE 47 HA PHE 47 13.167 2.346 -0.302 384 1HB PHE 47 2HB PHE 47 13.324 4.326 1.551 385 2HB PHE 47 1HB PHE 47 11.800 3.470 1.185 386 HD1 PHE 47 HD2 PHE 47 14.866 2.467 3.256 387 HD2 PHE 47 HD1 PHE 47 10.689 3.379 3.162 388 HE1 PHE 47 HE2 PHE 47 14.643 1.837 5.673 389 HE2 PHE 47 HE1 PHE 47 10.441 2.770 5.531 390 HZ PHE 47 HZ PHE 47 12.491 1.982 6.788 391 H THR 48 H THR 48 14.263 3.652 -1.355 392 HA THR 48 HA THR 48 17.123 3.889 -1.081 393 HB THR 48 HB THR 48 15.598 5.857 -2.791 394 HG1 THR 48 1HG THR 48 14.703 4.373 -4.019 395 1HG2 THR 48 2HG2 THR 48 18.250 5.103 -2.698 396 2HG2 THR 48 1HG2 THR 48 17.708 3.830 -3.804 397 3HG2 THR 48 3HG2 THR 48 17.475 5.496 -4.263 398 H VAL 49 H VAL 49 17.264 4.503 0.985 399 HA VAL 49 HA VAL 49 16.254 7.266 1.604 400 HB VAL 49 HB VAL 49 16.961 4.889 3.187 401 1HG1 VAL 49 3HG1 VAL 49 18.787 6.602 3.881 402 2HG1 VAL 49 2HG1 VAL 49 17.466 7.682 4.399 403 3HG1 VAL 49 1HG1 VAL 49 17.748 6.125 5.205 404 1HG2 VAL 49 2HG2 VAL 49 15.137 7.336 3.647 405 2HG2 VAL 49 1HG2 VAL 49 14.635 5.669 3.274 406 3HG2 VAL 49 3HG2 VAL 49 15.314 6.086 4.869 407 H LYS 50 H LYS 50 17.649 8.752 1.223 408 HA LYS 50 HA LYS 50 20.408 8.263 0.296 409 1HB LYS 50 2HB LYS 50 18.588 10.111 -0.185 410 2HB LYS 50 1HB LYS 50 19.200 10.886 1.260 411 1HG LYS 50 2HG LYS 50 21.534 10.882 0.184 412 2HG LYS 50 1HG LYS 50 20.797 10.082 -1.236 413 1HD LYS 50 2HD LYS 50 19.220 12.217 -1.224 414 2HD LYS 50 1HD LYS 50 20.599 12.915 -0.267 415 1HE LYS 50 2HE LYS 50 20.794 11.493 -2.990 416 2HE LYS 50 1HE LYS 50 21.072 13.250 -2.653 417 1HZ LYS 50 2HZ LYS 50 22.686 11.038 -1.576 418 2HZ LYS 50 1HZ LYS 50 23.024 11.987 -2.897 419 3HZ LYS 50 3HZ LYS 50 22.935 12.683 -1.351 420 H GLU 51 H GLU 51 20.772 11.025 1.926 421 HA GLU 51 HA GLU 51 20.688 11.245 4.237 422 1HB GLU 51 2HB GLU 51 21.334 8.744 4.857 423 2HB GLU 51 1HB GLU 51 22.778 8.917 3.918 424 1HG GLU 51 2HG GLU 51 23.805 10.301 5.555 425 2HG GLU 51 1HG GLU 51 22.222 10.581 6.355 426 H SER 52 H SER 52 21.598 13.173 3.129 427 HA SER 52 HA SER 52 24.563 12.865 2.538 428 1HB SER 52 2HB SER 52 22.305 14.239 1.078 429 2HB SER 52 1HB SER 52 23.999 14.823 0.951 430 HG SER 52 HG SER 52 23.201 12.105 0.760 431 H SER 53 H SER 53 24.706 13.516 4.942 432 HA SER 53 HA SER 53 23.983 16.246 5.617 433 1HB SER 53 2HB SER 53 25.660 16.228 7.282 434 2HB SER 53 1HB SER 53 24.761 14.726 7.459 435 HG SER 53 HG SER 53 26.536 13.995 5.873 436 H ASN 54 H ASN 54 25.709 18.022 5.890 437 HA ASN 54 HA ASN 54 27.051 18.190 3.277 438 1HB ASN 54 2HB ASN 54 26.092 20.055 4.953 439 2HB ASN 54 1HB ASN 54 27.696 20.002 5.670 440 1HD2 ASN 54 2HD2 ASN 54 27.789 22.641 3.074 441 2HD2 ASN 54 1HD2 ASN 54 26.867 22.360 4.536 442 H PHE 55 H PHE 55 28.169 15.858 4.126 443 HA PHE 55 HA PHE 55 30.926 16.840 4.660 444 1HB PHE 55 2HB PHE 55 29.338 15.051 6.540 445 2HB PHE 55 1HB PHE 55 31.147 15.100 6.507 446 HD1 PHE 55 HD1 PHE 55 28.101 17.000 7.309 447 HD2 PHE 55 HD2 PHE 55 32.355 16.930 7.389 448 HE1 PHE 55 HE1 PHE 55 27.978 18.904 8.794 449 HE2 PHE 55 HE2 PHE 55 32.270 18.920 8.945 450 HZ PHE 55 HZ PHE 55 30.184 19.912 9.653 451 H ARG 56 H ARG 56 28.968 13.795 4.968 452 HA ARG 56 HA ARG 56 31.262 12.408 3.822 453 1HB ARG 56 2HB ARG 56 29.800 11.790 5.933 454 2HB ARG 56 1HB ARG 56 28.693 11.109 4.712 455 1HG ARG 56 2HG ARG 56 30.472 9.571 5.871 456 2HG ARG 56 1HG ARG 56 30.245 9.390 4.146 457 1HD ARG 56 2HD ARG 56 32.299 10.486 3.682 458 2HD ARG 56 1HD ARG 56 32.327 11.298 5.278 459 HE ARG 56 HE ARG 56 32.581 8.751 6.080 460 1HH1 ARG 56 2HH1 ARG 56 34.188 10.532 3.392 461 2HH1 ARG 56 1HH1 ARG 56 35.625 9.564 3.510 462 1HH2 ARG 56 2HH2 ARG 56 34.485 7.602 6.121 463 2HH2 ARG 56 1HH2 ARG 56 35.845 7.876 5.059 464 H ASN 57 H ASN 57 27.773 12.395 3.629 465 HA ASN 57 HA ASN 57 26.247 12.132 2.021 466 1HB ASN 57 2HB ASN 57 26.995 13.830 0.772 467 2HB ASN 57 1HB ASN 57 28.603 13.112 0.428 468 1HD2 ASN 57 1HD2 ASN 57 25.278 11.456 -1.469 469 2HD2 ASN 57 2HD2 ASN 57 25.224 11.932 0.211 470 H ILE 58 H ILE 58 25.422 10.284 1.777 471 HA ILE 58 HA ILE 58 26.946 8.154 0.430 472 HB ILE 58 HB ILE 58 25.643 7.792 3.182 473 1HG1 ILE 58 2HG1 ILE 58 28.463 8.076 2.246 474 2HG1 ILE 58 1HG1 ILE 58 27.530 9.189 3.315 475 1HG2 ILE 58 1HG2 ILE 58 27.351 5.958 1.358 476 2HG2 ILE 58 3HG2 ILE 58 26.909 5.633 3.057 477 3HG2 ILE 58 2HG2 ILE 58 25.673 5.710 1.753 478 1HD1 ILE 58 3HD1 ILE 58 27.180 7.105 4.855 479 2HD1 ILE 58 2HD1 ILE 58 28.578 6.361 4.059 480 3HD1 ILE 58 1HD1 ILE 58 28.737 7.914 4.951 481 H ASP 59 H ASP 59 24.270 6.944 2.209 482 HA ASP 59 HA ASP 59 21.915 7.277 1.405 483 1HB ASP 59 2HB ASP 59 22.506 7.893 -0.936 484 2HB ASP 59 1HB ASP 59 23.364 6.371 -1.126 485 H VAL 60 H VAL 60 20.725 5.345 1.355 486 HA VAL 60 HA VAL 60 22.079 2.737 1.330 487 HB VAL 60 HB VAL 60 21.002 2.409 3.691 488 1HG1 VAL 60 3HG1 VAL 60 23.576 2.697 2.863 489 2HG1 VAL 60 2HG1 VAL 60 23.445 4.096 3.958 490 3HG1 VAL 60 1HG1 VAL 60 23.125 2.460 4.558 491 1HG2 VAL 60 2HG2 VAL 60 20.412 5.179 3.397 492 2HG2 VAL 60 1HG2 VAL 60 20.505 4.360 4.942 493 3HG2 VAL 60 3HG2 VAL 60 21.923 5.198 4.323 494 H VAL 61 H VAL 61 20.701 1.709 0.098 495 HA VAL 61 HA VAL 61 17.773 2.191 0.393 496 HB VAL 61 HB VAL 61 18.987 0.457 -1.754 497 1HG1 VAL 61 2HG1 VAL 61 16.325 1.405 -1.343 498 2HG1 VAL 61 1HG1 VAL 61 16.986 2.596 -2.499 499 3HG1 VAL 61 3HG1 VAL 61 17.013 0.903 -2.901 500 1HG2 VAL 61 3HG2 VAL 61 19.182 3.527 -1.550 501 2HG2 VAL 61 2HG2 VAL 61 20.459 2.324 -1.701 502 3HG2 VAL 61 1HG2 VAL 61 19.396 2.609 -3.075 503 H PHE 62 H PHE 62 17.825 0.950 2.470 504 HA PHE 62 HA PHE 62 18.352 -1.998 2.038 505 1HB PHE 62 2HB PHE 62 18.610 -2.155 4.336 506 2HB PHE 62 1HB PHE 62 19.713 -0.907 3.716 507 HD1 PHE 62 HD2 PHE 62 18.863 1.564 4.015 508 HD2 PHE 62 HD1 PHE 62 17.181 -1.708 6.151 509 HE1 PHE 62 HE2 PHE 62 17.934 3.186 5.699 510 HE2 PHE 62 HE1 PHE 62 16.250 -0.227 7.803 511 HZ PHE 62 HZ PHE 62 16.642 2.311 7.578 512 H GLU 63 H GLU 63 17.025 -3.442 2.546 513 HA GLU 63 HA GLU 63 14.159 -3.177 2.491 514 1HB GLU 63 2HB GLU 63 16.008 -5.461 3.124 515 2HB GLU 63 1HB GLU 63 14.256 -5.491 3.533 516 1HG GLU 63 2HG GLU 63 13.708 -5.905 1.350 517 2HG GLU 63 1HG GLU 63 14.538 -4.510 0.789 518 H LEU 64 H LEU 64 14.111 -1.410 4.175 519 HA LEU 64 HA LEU 64 14.621 -0.782 6.433 520 1HB LEU 64 2HB LEU 64 12.496 -0.418 7.256 521 2HB LEU 64 1HB LEU 64 12.607 -0.190 5.537 522 HG LEU 64 HG LEU 64 11.647 -2.920 5.904 523 1HD1 LEU 64 1HD1 LEU 64 11.035 -1.239 8.208 524 2HD1 LEU 64 3HD1 LEU 64 9.527 -1.707 7.395 525 3HD1 LEU 64 2HD1 LEU 64 10.655 -2.949 7.870 526 1HD2 LEU 64 3HD2 LEU 64 10.631 -0.292 4.802 527 2HD2 LEU 64 2HD2 LEU 64 10.229 -1.932 4.232 528 3HD2 LEU 64 1HD2 LEU 64 9.326 -1.219 5.550 529 H GLY 65 H GLY 65 15.957 -2.114 7.653 530 1HA GLY 65 1HA GLY 65 15.770 -3.222 9.918 531 2HA GLY 65 2HA GLY 65 14.589 -4.267 9.313 532 H VAL 66 H VAL 66 17.885 -3.143 8.478 533 HA VAL 66 HA VAL 66 18.693 -6.053 8.365 534 HB VAL 66 HB VAL 66 20.668 -4.991 6.937 535 1HG1 VAL 66 2HG1 VAL 66 19.113 -6.895 6.235 536 2HG1 VAL 66 1HG1 VAL 66 17.871 -5.727 5.804 537 3HG1 VAL 66 3HG1 VAL 66 19.434 -5.770 4.913 538 1HG2 VAL 66 2HG2 VAL 66 19.575 -2.666 7.066 539 2HG2 VAL 66 1HG2 VAL 66 19.979 -3.212 5.442 540 3HG2 VAL 66 3HG2 VAL 66 18.286 -3.265 6.014 541 H ASP 67 H ASP 67 19.937 -6.563 9.995 542 HA ASP 67 HA ASP 67 21.122 -4.552 11.686 543 1HB ASP 67 2HB ASP 67 21.964 -7.187 12.230 544 2HB ASP 67 1HB ASP 67 21.464 -5.839 13.238 545 H PHE 68 H PHE 68 22.955 -3.493 11.329 546 HA PHE 68 HA PHE 68 25.280 -5.043 10.217 547 1HB PHE 68 2HB PHE 68 25.084 -2.152 9.604 548 2HB PHE 68 1HB PHE 68 26.124 -3.417 8.915 549 HD1 PHE 68 HD1 PHE 68 24.739 -5.410 7.551 550 HD2 PHE 68 HD2 PHE 68 23.304 -1.407 8.185 551 HE1 PHE 68 HE1 PHE 68 23.275 -5.668 5.676 552 HE2 PHE 68 HE2 PHE 68 21.785 -1.674 6.268 553 HZ PHE 68 HZ PHE 68 21.757 -3.832 4.975 554 H ALA 69 H ALA 69 27.240 -3.469 10.611 555 HA ALA 69 HA ALA 69 27.175 -2.495 13.409 556 1HB ALA 69 2HB ALA 69 28.842 -4.576 12.076 557 2HB ALA 69 1HB ALA 69 29.753 -3.374 13.073 558 3HB ALA 69 3HB ALA 69 28.440 -4.401 13.794 559 H TYR 70 H TYR 70 26.727 -0.551 12.156 560 HA TYR 70 HA TYR 70 29.356 0.668 11.412 561 1HB TYR 70 2HB TYR 70 28.790 1.181 9.278 562 2HB TYR 70 1HB TYR 70 27.558 -0.108 9.401 563 HD1 TYR 70 HD2 TYR 70 25.126 0.763 10.508 564 HD2 TYR 70 HD1 TYR 70 27.986 3.255 8.489 565 HE1 TYR 70 HE2 TYR 70 23.382 2.447 10.012 566 HE2 TYR 70 HE1 TYR 70 26.298 4.883 8.008 567 HH TYR 70 HH TYR 70 22.857 4.297 8.648 568 H SER 71 H SER 71 29.631 2.708 12.044 569 HA SER 71 HA SER 71 27.885 3.682 14.089 570 1HB SER 71 2HB SER 71 29.377 5.243 14.375 571 2HB SER 71 1HB SER 71 30.382 4.243 13.337 572 HG SER 71 HG SER 71 29.687 5.549 11.552 573 H LEU 72 H LEU 72 26.632 5.322 14.224 574 HA LEU 72 HA LEU 72 24.577 5.696 12.372 575 1HB LEU 72 2HB LEU 72 23.880 6.641 14.248 576 2HB LEU 72 1HB LEU 72 25.555 6.910 14.886 577 HG LEU 72 HG LEU 72 24.141 8.900 14.766 578 1HD1 LEU 72 2HD1 LEU 72 26.826 8.735 13.869 579 2HD1 LEU 72 1HD1 LEU 72 26.000 9.833 12.749 580 3HD1 LEU 72 3HD1 LEU 72 25.987 10.190 14.481 581 1HD2 LEU 72 1HD2 LEU 72 23.424 7.914 12.162 582 2HD2 LEU 72 3HD2 LEU 72 22.734 9.266 13.027 583 3HD2 LEU 72 2HD2 LEU 72 24.155 9.513 11.951 584 H ALA 73 H ALA 73 27.782 7.271 12.606 585 HA ALA 73 HA ALA 73 27.645 8.062 9.850 586 1HB ALA 73 3HB ALA 73 26.219 9.866 10.704 587 2HB ALA 73 2HB ALA 73 27.646 10.427 11.673 588 3HB ALA 73 1HB ALA 73 27.714 10.444 9.915 589 H ASP 74 H ASP 74 29.125 9.208 12.833 590 HA ASP 74 HA ASP 74 31.878 8.655 11.800 591 1HB ASP 74 2HB ASP 74 32.680 10.486 13.207 592 2HB ASP 74 1HB ASP 74 32.075 10.674 11.543 593 H GLY 75 H GLY 75 29.628 7.815 14.268 594 1HA GLY 75 1HA GLY 75 31.458 7.619 16.528 595 2HA GLY 75 2HA GLY 75 29.885 6.858 16.348 596 H THR 76 H THR 76 29.976 4.670 16.393 597 HA THR 76 HA THR 76 32.280 3.364 14.954 598 HB THR 76 HB THR 76 32.806 3.627 17.321 599 HG1 THR 76 1HG THR 76 33.609 1.642 17.275 600 1HG2 THR 76 2HG2 THR 76 30.103 2.764 17.815 601 2HG2 THR 76 1HG2 THR 76 30.979 1.229 17.902 602 3HG2 THR 76 3HG2 THR 76 31.382 2.541 19.030 603 H GLU 77 H GLU 77 28.934 3.070 16.231 604 HA GLU 77 HA GLU 77 28.396 0.960 14.205 605 1HB GLU 77 2HB GLU 77 28.797 0.352 17.107 606 2HB GLU 77 1HB GLU 77 27.613 -0.539 16.256 607 1HG GLU 77 2HG GLU 77 29.961 -0.756 14.563 608 2HG GLU 77 1HG GLU 77 30.558 -0.962 16.253 609 H LEU 78 H LEU 78 26.351 -0.003 14.335 610 HA LEU 78 HA LEU 78 24.431 0.904 16.285 611 1HB LEU 78 2HB LEU 78 24.513 1.913 13.385 612 2HB LEU 78 1HB LEU 78 22.958 1.180 13.763 613 HG LEU 78 HG LEU 78 23.228 2.819 15.914 614 1HD1 LEU 78 3HD1 LEU 78 24.597 4.155 13.499 615 2HD1 LEU 78 2HD1 LEU 78 24.152 4.978 15.034 616 3HD1 LEU 78 1HD1 LEU 78 25.364 3.731 15.072 617 1HD2 LEU 78 1HD2 LEU 78 21.936 2.746 13.210 618 2HD2 LEU 78 3HD2 LEU 78 21.249 3.472 14.668 619 3HD2 LEU 78 2HD2 LEU 78 22.307 4.434 13.618 620 H THR 79 H THR 79 24.028 -1.402 16.648 621 HA THR 79 HA THR 79 23.235 -3.020 14.232 622 HB THR 79 HB THR 79 25.139 -4.099 15.329 623 HG1 THR 79 1HG THR 79 24.057 -5.752 14.670 624 1HG2 THR 79 1HG2 THR 79 24.775 -3.157 17.580 625 2HG2 THR 79 3HG2 THR 79 23.434 -4.268 17.832 626 3HG2 THR 79 2HG2 THR 79 25.087 -4.922 17.636 627 H GLY 80 H GLY 80 21.162 -3.663 14.243 628 1HA GLY 80 1HA GLY 80 19.541 -4.489 16.191 629 2HA GLY 80 2HA GLY 80 19.435 -2.691 16.498 630 H THR 81 H THR 81 19.838 -2.511 13.513 631 HA THR 81 HA THR 81 18.698 -2.701 11.593 632 HB THR 81 HB THR 81 17.679 -4.939 13.080 633 HG1 THR 81 1HG THR 81 18.068 -5.758 11.313 634 1HG2 THR 81 3HG2 THR 81 15.322 -3.509 11.749 635 2HG2 THR 81 2HG2 THR 81 15.424 -5.276 11.995 636 3HG2 THR 81 1HG2 THR 81 15.481 -4.173 13.363 637 H TRP 82 H TRP 82 17.876 -0.948 11.000 638 HA TRP 82 HA TRP 82 15.814 0.435 12.527 639 1HB TRP 82 2HB TRP 82 16.369 1.119 9.606 640 2HB TRP 82 1HB TRP 82 15.760 2.165 10.901 641 HD1 TRP 82 HD1 TRP 82 19.277 0.490 11.463 642 HE1 TRP 82 HE1 TRP 82 20.922 2.478 11.514 643 HE3 TRP 82 HE3 TRP 82 16.213 4.363 10.063 644 HZ2 TRP 82 HZ2 TRP 82 20.960 5.303 11.050 645 HZ3 TRP 82 HZ3 TRP 82 17.043 6.618 9.904 646 HH2 TRP 82 HH2 TRP 82 19.484 7.078 10.407 647 H THR 83 H THR 83 13.689 0.568 11.986 648 HA THR 83 HA THR 83 12.504 -0.375 9.444 649 HB THR 83 HB THR 83 10.794 -1.710 10.628 650 HG1 THR 83 1HG THR 83 12.693 -1.455 12.636 651 1HG2 THR 83 3HG2 THR 83 13.679 -2.756 10.309 652 2HG2 THR 83 2HG2 THR 83 12.514 -3.760 11.242 653 3HG2 THR 83 1HG2 THR 83 12.143 -3.362 9.590 654 H MET 84 H MET 84 10.082 -0.081 9.770 655 HA MET 84 HA MET 84 9.577 2.242 11.666 656 1HB MET 84 2HB MET 84 8.254 3.138 9.695 657 2HB MET 84 1HB MET 84 9.828 2.690 9.103 658 1HG MET 84 2HG MET 84 9.208 1.014 7.776 659 2HG MET 84 1HG MET 84 8.112 0.443 8.949 660 1HE MET 84 2HE MET 84 8.555 2.395 5.608 661 2HE MET 84 1HE MET 84 7.023 3.357 5.468 662 3HE MET 84 3HE MET 84 8.328 3.809 6.647 663 H GLU 85 H GLU 85 6.707 1.883 10.344 664 HA GLU 85 HA GLU 85 6.130 -0.832 11.192 665 1HB GLU 85 2HB GLU 85 6.402 0.676 13.351 666 2HB GLU 85 1HB GLU 85 4.801 1.379 12.826 667 1HG GLU 85 2HG GLU 85 4.399 -1.378 12.615 668 2HG GLU 85 1HG GLU 85 5.502 -1.331 13.923 669 H GLY 86 H GLY 86 4.888 2.386 10.361 670 1HA GLY 86 1HA GLY 86 3.547 1.890 8.110 671 2HA GLY 86 2HA GLY 86 2.339 1.336 9.436 672 H ASN 87 H ASN 87 3.416 2.923 11.448 673 HA ASN 87 HA ASN 87 2.405 5.559 10.528 674 1HB ASN 87 2HB ASN 87 1.219 6.110 11.909 675 2HB ASN 87 1HB ASN 87 1.157 4.308 12.298 676 1HD2 ASN 87 1HD2 ASN 87 3.446 4.692 15.108 677 2HD2 ASN 87 2HD2 ASN 87 3.170 3.656 13.747 678 H LYS 88 H LYS 88 5.367 3.931 11.341 679 HA LYS 88 HA LYS 88 6.862 6.386 11.355 680 1HB LYS 88 2HB LYS 88 7.843 6.202 13.558 681 2HB LYS 88 1HB LYS 88 6.236 6.677 13.727 682 1HG LYS 88 2HG LYS 88 5.461 4.469 14.492 683 2HG LYS 88 1HG LYS 88 7.123 3.808 14.293 684 1HD LYS 88 2HD LYS 88 7.193 4.441 16.481 685 2HD LYS 88 1HD LYS 88 7.881 5.834 15.630 686 1HE LYS 88 2HE LYS 88 5.494 6.818 15.523 687 2HE LYS 88 1HE LYS 88 5.014 5.583 16.699 688 1HZ LYS 88 2HZ LYS 88 7.319 7.367 17.155 689 2HZ LYS 88 1HZ LYS 88 5.712 7.822 17.535 690 3HZ LYS 88 3HZ LYS 88 6.424 6.464 18.274 691 H LEU 89 H LEU 89 8.780 6.155 11.064 692 HA LEU 89 HA LEU 89 10.219 3.646 10.551 693 1HB LEU 89 2HB LEU 89 10.633 6.554 10.480 694 2HB LEU 89 1HB LEU 89 11.816 5.767 11.437 695 HG LEU 89 HG LEU 89 13.011 5.014 9.855 696 1HD1 LEU 89 2HD1 LEU 89 10.478 4.245 8.279 697 2HD1 LEU 89 1HD1 LEU 89 12.075 3.981 7.604 698 3HD1 LEU 89 3HD1 LEU 89 11.645 3.137 9.091 699 1HD2 LEU 89 2HD2 LEU 89 11.244 7.177 8.675 700 2HD2 LEU 89 1HD2 LEU 89 13.005 6.997 8.527 701 3HD2 LEU 89 3HD2 LEU 89 11.950 6.178 7.393 702 H VAL 90 H VAL 90 12.365 3.670 11.873 703 HA VAL 90 HA VAL 90 12.420 4.143 14.655 704 HB VAL 90 HB VAL 90 12.685 1.233 14.130 705 1HG1 VAL 90 3HG1 VAL 90 12.178 3.089 16.444 706 2HG1 VAL 90 2HG1 VAL 90 11.465 1.504 16.587 707 3HG1 VAL 90 1HG1 VAL 90 13.198 1.617 16.364 708 1HG2 VAL 90 2HG2 VAL 90 10.155 1.810 13.397 709 2HG2 VAL 90 1HG2 VAL 90 10.280 0.788 14.854 710 3HG2 VAL 90 3HG2 VAL 90 9.951 2.494 15.028 711 H GLY 91 H GLY 91 14.355 4.982 14.079 712 1HA GLY 91 1HA GLY 91 16.213 4.163 12.256 713 2HA GLY 91 2HA GLY 91 16.521 5.202 13.644 714 H LYS 92 H LYS 92 15.487 2.955 15.333 715 HA LYS 92 HA LYS 92 16.369 1.516 16.808 716 1HB LYS 92 2HB LYS 92 16.796 0.142 14.131 717 2HB LYS 92 1HB LYS 92 16.985 -0.680 15.705 718 1HG LYS 92 2HG LYS 92 14.511 0.949 15.146 719 2HG LYS 92 1HG LYS 92 14.570 -0.796 14.873 720 1HD LYS 92 2HD LYS 92 15.750 -0.730 17.318 721 2HD LYS 92 1HD LYS 92 14.722 0.682 17.368 722 1HE LYS 92 2HE LYS 92 13.272 -1.097 18.125 723 2HE LYS 92 1HE LYS 92 12.839 -0.923 16.373 724 1HZ LYS 92 1HZ LYS 92 15.036 -2.675 16.802 725 2HZ LYS 92 3HZ LYS 92 13.557 -3.206 17.484 726 3HZ LYS 92 2HZ LYS 92 13.672 -2.815 15.842 727 H PHE 93 H PHE 93 18.451 -0.281 16.785 728 HA PHE 93 HA PHE 93 21.089 0.562 16.293 729 1HB PHE 93 2HB PHE 93 21.243 1.918 18.616 730 2HB PHE 93 1HB PHE 93 20.633 2.758 17.276 731 HD1 PHE 93 HD1 PHE 93 19.257 0.103 19.805 732 HD2 PHE 93 HD2 PHE 93 18.754 3.902 17.905 733 HE1 PHE 93 HE1 PHE 93 17.199 0.329 21.029 734 HE2 PHE 93 HE2 PHE 93 16.703 4.181 19.195 735 HZ PHE 93 HZ PHE 93 15.865 2.347 20.784 736 H LYS 94 H LYS 94 22.236 0.727 18.404 737 HA LYS 94 HA LYS 94 22.340 0.406 20.727 738 1HB LYS 94 2HB LYS 94 21.529 -2.370 19.766 739 2HB LYS 94 1HB LYS 94 22.724 -2.215 21.223 740 1HG LYS 94 2HG LYS 94 21.221 -1.030 22.483 741 2HG LYS 94 1HG LYS 94 20.435 -0.344 21.222 742 1HD LYS 94 2HD LYS 94 18.751 -1.786 21.961 743 2HD LYS 94 1HD LYS 94 19.413 -2.840 20.743 744 1HE LYS 94 2HE LYS 94 20.486 -2.984 23.575 745 2HE LYS 94 1HE LYS 94 19.005 -3.859 23.031 746 1HZ LYS 94 1HZ LYS 94 20.458 -4.595 21.091 747 2HZ LYS 94 3HZ LYS 94 21.730 -4.230 22.136 748 3HZ LYS 94 2HZ LYS 94 20.602 -5.362 22.615 749 H ARG 95 H ARG 95 23.805 1.448 19.722 750 HA ARG 95 HA ARG 95 25.806 0.758 17.982 751 1HB ARG 95 2HB ARG 95 26.565 1.961 20.645 752 2HB ARG 95 1HB ARG 95 27.217 2.336 18.980 753 1HG ARG 95 2HG ARG 95 25.412 3.751 20.668 754 2HG ARG 95 1HG ARG 95 26.218 4.215 19.219 755 1HD ARG 95 2HD ARG 95 23.931 2.697 18.299 756 2HD ARG 95 1HD ARG 95 23.386 3.363 19.746 757 HE ARG 95 HE ARG 95 24.769 4.979 17.618 758 1HH1 ARG 95 2HH2 ARG 95 22.094 4.925 19.909 759 2HH1 ARG 95 1HH2 ARG 95 21.761 6.615 19.759 760 1HH2 ARG 95 1HH1 ARG 95 24.264 7.242 17.389 761 2HH2 ARG 95 2HH1 ARG 95 22.937 7.806 18.378 762 H VAL 96 H VAL 96 28.175 0.739 18.840 763 HA VAL 96 HA VAL 96 28.599 -1.550 20.713 764 HB VAL 96 HB VAL 96 30.025 -0.437 18.275 765 1HG1 VAL 96 2HG1 VAL 96 31.304 -1.790 20.690 766 2HG1 VAL 96 1HG1 VAL 96 31.965 -1.809 19.038 767 3HG1 VAL 96 3HG1 VAL 96 31.781 -0.284 19.870 768 1HG2 VAL 96 3HG2 VAL 96 28.955 -3.066 19.409 769 2HG2 VAL 96 2HG2 VAL 96 28.612 -2.448 17.813 770 3HG2 VAL 96 1HG2 VAL 96 30.240 -3.124 18.179 771 H ASP 97 H ASP 97 29.445 1.818 19.769 772 HA ASP 97 HA ASP 97 31.464 2.400 21.658 773 1HB ASP 97 2HB ASP 97 30.704 4.030 20.095 774 2HB ASP 97 1HB ASP 97 29.124 4.055 20.835 775 H ASN 98 H ASN 98 28.023 2.032 22.066 776 HA ASN 98 HA ASN 98 28.213 1.239 24.799 777 1HB ASN 98 2HB ASN 98 28.900 3.311 25.301 778 2HB ASN 98 1HB ASN 98 27.644 4.035 24.352 779 1HD2 ASN 98 2HD2 ASN 98 27.173 2.704 28.246 780 2HD2 ASN 98 1HD2 ASN 98 28.499 2.232 27.222 781 H GLY 99 H GLY 99 26.652 0.323 22.292 782 1HA GLY 99 1HA GLY 99 24.397 -0.378 21.872 783 2HA GLY 99 2HA GLY 99 24.295 -0.581 23.574 784 H LYS 100 H LYS 100 24.521 2.200 21.313 785 HA LYS 100 HA LYS 100 22.658 3.573 23.117 786 1HB LYS 100 2HB LYS 100 23.903 4.859 20.765 787 2HB LYS 100 1HB LYS 100 22.502 5.374 21.650 788 1HG LYS 100 2HG LYS 100 23.896 6.391 23.107 789 2HG LYS 100 1HG LYS 100 24.159 4.714 23.721 790 1HD LYS 100 2HD LYS 100 26.317 4.626 22.680 791 2HD LYS 100 1HD LYS 100 25.746 5.501 21.334 792 1HE LYS 100 2HE LYS 100 27.500 6.447 23.251 793 2HE LYS 100 1HE LYS 100 26.569 7.486 22.156 794 1HZ LYS 100 3HZ LYS 100 25.511 6.679 24.775 795 2HZ LYS 100 2HZ LYS 100 26.479 8.037 24.561 796 3HZ LYS 100 1HZ LYS 100 24.997 7.913 23.743 797 H GLU 101 H GLU 101 20.794 4.977 22.339 798 HA GLU 101 HA GLU 101 19.236 3.216 20.543 799 1HB GLU 101 2HB GLU 101 18.357 4.140 23.197 800 2HB GLU 101 1HB GLU 101 17.298 3.584 22.029 801 1HG GLU 101 2HG GLU 101 17.925 1.387 22.759 802 2HG GLU 101 1HG GLU 101 19.271 1.625 21.761 803 H LEU 102 H LEU 102 20.168 4.924 19.127 804 HA LEU 102 HA LEU 102 19.350 7.542 18.621 805 1HB LEU 102 2HB LEU 102 19.660 5.062 16.817 806 2HB LEU 102 1HB LEU 102 19.125 6.673 16.205 807 HG LEU 102 HG LEU 102 21.442 6.788 17.894 808 1HD1 LEU 102 1HD1 LEU 102 21.678 4.452 16.653 809 2HD1 LEU 102 3HD1 LEU 102 21.760 5.443 15.156 810 3HD1 LEU 102 2HD1 LEU 102 23.016 5.541 16.433 811 1HD2 LEU 102 2HD2 LEU 102 20.535 7.555 15.074 812 2HD2 LEU 102 1HD2 LEU 102 20.784 8.652 16.483 813 3HD2 LEU 102 3HD2 LEU 102 22.174 7.943 15.583 814 H ILE 103 H ILE 103 17.809 4.846 16.824 815 HA ILE 103 HA ILE 103 15.872 3.942 16.823 816 HB ILE 103 HB ILE 103 15.540 5.772 19.143 817 1HG1 ILE 103 2HG1 ILE 103 15.053 3.764 19.931 818 2HG1 ILE 103 1HG1 ILE 103 13.481 4.175 19.394 819 1HG2 ILE 103 1HG2 ILE 103 14.072 6.990 17.445 820 2HG2 ILE 103 3HG2 ILE 103 12.944 5.631 17.713 821 3HG2 ILE 103 2HG2 ILE 103 13.488 6.638 19.105 822 1HD1 ILE 103 2HD1 ILE 103 14.440 2.925 17.149 823 2HD1 ILE 103 1HD1 ILE 103 15.365 2.134 18.390 824 3HD1 ILE 103 3HD1 ILE 103 13.566 2.088 18.483 825 H ALA 104 H ALA 104 17.257 6.543 15.856 826 HA ALA 104 HA ALA 104 16.004 8.479 14.689 827 1HB ALA 104 1HB ALA 104 17.722 6.526 12.971 828 2HB ALA 104 3HB ALA 104 17.253 8.166 12.532 829 3HB ALA 104 2HB ALA 104 18.362 7.948 13.897 830 H VAL 105 H VAL 105 13.886 7.892 14.900 831 HA VAL 105 HA VAL 105 12.656 6.037 13.102 832 HB VAL 105 HB VAL 105 11.501 8.423 14.628 833 1HG1 VAL 105 1HG1 VAL 105 10.137 6.420 13.030 834 2HG1 VAL 105 3HG1 VAL 105 9.574 6.223 14.723 835 3HG1 VAL 105 2HG1 VAL 105 9.400 7.775 13.958 836 1HG2 VAL 105 3HG2 VAL 105 11.959 5.616 15.780 837 2HG2 VAL 105 2HG2 VAL 105 12.438 7.243 16.389 838 3HG2 VAL 105 1HG2 VAL 105 10.763 6.767 16.392 839 H ARG 106 H ARG 106 10.862 8.888 12.958 840 HA ARG 106 HA ARG 106 11.523 10.712 11.441 841 1HB ARG 106 2HB ARG 106 12.212 8.457 9.726 842 2HB ARG 106 1HB ARG 106 10.827 9.291 9.000 843 1HG ARG 106 2HG ARG 106 12.045 10.810 8.262 844 2HG ARG 106 1HG ARG 106 12.179 11.469 9.825 845 1HD ARG 106 2HD ARG 106 14.433 9.885 9.922 846 2HD ARG 106 1HD ARG 106 14.141 9.847 8.151 847 HE ARG 106 HE ARG 106 13.967 12.451 8.568 848 1HH1 ARG 106 1HH1 ARG 106 16.315 10.234 10.076 849 2HH1 ARG 106 2HH1 ARG 106 17.467 11.499 10.197 850 1HH2 ARG 106 1HH2 ARG 106 15.526 14.004 8.747 851 2HH2 ARG 106 2HH2 ARG 106 17.071 13.580 9.470 852 H GLU 107 H GLU 107 9.713 8.016 12.095 853 HA GLU 107 HA GLU 107 7.404 7.628 12.389 854 1HB GLU 107 2HB GLU 107 8.466 10.224 13.303 855 2HB GLU 107 1HB GLU 107 6.624 10.189 13.074 856 1HG GLU 107 2HG GLU 107 7.549 7.839 14.462 857 2HG GLU 107 1HG GLU 107 8.318 9.067 15.196 858 H ILE 108 H ILE 108 7.650 10.975 11.405 859 HA ILE 108 HA ILE 108 6.815 12.349 9.920 860 HB ILE 108 HB ILE 108 7.530 10.258 8.520 861 1HG1 ILE 108 2HG1 ILE 108 5.501 12.266 7.391 862 2HG1 ILE 108 1HG1 ILE 108 7.058 12.721 8.065 863 1HG2 ILE 108 3HG2 ILE 108 4.388 10.143 8.264 864 2HG2 ILE 108 2HG2 ILE 108 5.408 9.808 6.889 865 3HG2 ILE 108 1HG2 ILE 108 5.500 8.761 8.275 866 1HD1 ILE 108 1HD1 ILE 108 7.474 10.552 6.059 867 2HD1 ILE 108 3HD1 ILE 108 6.395 11.828 5.398 868 3HD1 ILE 108 2HD1 ILE 108 7.967 12.283 5.985 869 H SER 109 H SER 109 5.071 13.497 9.915 870 HA SER 109 HA SER 109 2.455 12.373 9.898 871 1HB SER 109 2HB SER 109 2.849 11.647 12.208 872 2HB SER 109 1HB SER 109 3.819 13.087 12.507 873 HG SER 109 HG SER 109 1.497 12.994 13.304 874 H GLY 110 H GLY 110 1.677 13.841 8.687 875 1HA GLY 110 1HA GLY 110 0.802 15.808 7.925 876 2HA GLY 110 2HA GLY 110 1.021 16.447 9.591 877 H ASN 111 H ASN 111 2.792 15.702 6.610 878 HA ASN 111 HA ASN 111 4.651 16.767 5.674 879 1HB ASN 111 2HB ASN 111 3.389 19.199 6.708 880 2HB ASN 111 1HB ASN 111 4.991 19.146 5.987 881 1HD2 ASN 111 2HD2 ASN 111 2.162 17.576 3.438 882 2HD2 ASN 111 1HD2 ASN 111 2.566 16.846 4.985 883 H GLU 112 H GLU 112 5.397 15.257 7.925 884 HA GLU 112 HA GLU 112 7.345 17.050 9.338 885 1HB GLU 112 2HB GLU 112 5.277 15.260 10.318 886 2HB GLU 112 1HB GLU 112 6.803 14.603 10.802 887 1HG GLU 112 2HG GLU 112 5.776 16.209 12.566 888 2HG GLU 112 1HG GLU 112 7.345 16.635 12.121 889 H LEU 113 H LEU 113 8.544 15.086 10.605 890 HA LEU 113 HA LEU 113 9.156 12.695 9.345 891 1HB LEU 113 2HB LEU 113 11.220 14.958 8.874 892 2HB LEU 113 1HB LEU 113 11.741 13.318 9.267 893 HG LEU 113 HG LEU 113 10.086 14.076 6.845 894 1HD1 LEU 113 3HD1 LEU 113 12.905 13.610 7.538 895 2HD1 LEU 113 2HD1 LEU 113 12.393 12.358 6.390 896 3HD1 LEU 113 1HD1 LEU 113 12.209 14.112 6.026 897 1HD2 LEU 113 1HD2 LEU 113 10.384 11.562 8.454 898 2HD2 LEU 113 3HD2 LEU 113 9.075 12.054 7.431 899 3HD2 LEU 113 2HD2 LEU 113 10.536 11.322 6.674 900 H ILE 114 H ILE 114 9.924 15.315 11.699 901 HA ILE 114 HA ILE 114 10.234 15.052 13.987 902 HB ILE 114 HB ILE 114 9.419 12.259 14.152 903 1HG1 ILE 114 2HG1 ILE 114 8.030 12.832 11.896 904 2HG1 ILE 114 1HG1 ILE 114 7.518 11.864 13.181 905 1HG2 ILE 114 2HG2 ILE 114 9.447 14.223 15.675 906 2HG2 ILE 114 1HG2 ILE 114 7.840 14.610 15.147 907 3HG2 ILE 114 3HG2 ILE 114 8.120 13.025 15.846 908 1HD1 ILE 114 3HD1 ILE 114 6.934 14.867 13.401 909 2HD1 ILE 114 2HD1 ILE 114 5.924 13.868 12.301 910 3HD1 ILE 114 1HD1 ILE 114 5.949 13.496 14.001 911 H GLN 115 H GLN 115 12.050 13.162 11.840 912 HA GLN 115 HA GLN 115 13.630 11.506 12.182 913 1HB GLN 115 2HB GLN 115 13.940 13.831 14.072 914 2HB GLN 115 1HB GLN 115 15.343 12.817 13.572 915 1HG GLN 115 2HG GLN 115 14.081 13.641 11.150 916 2HG GLN 115 1HG GLN 115 13.828 15.043 12.192 917 1HE2 GLN 115 1HE2 GLN 115 17.228 15.939 12.482 918 2HE2 GLN 115 2HE2 GLN 115 15.605 16.317 12.891 919 H THR 116 H THR 116 13.210 12.766 15.426 920 HA THR 116 HA THR 116 12.851 11.917 17.447 921 HB THR 116 HB THR 116 11.390 9.763 15.973 922 HG1 THR 116 1HG THR 116 9.711 11.001 16.066 923 1HG2 THR 116 3HG2 THR 116 12.000 10.210 18.901 924 2HG2 THR 116 2HG2 THR 116 10.227 10.360 18.630 925 3HG2 THR 116 1HG2 THR 116 11.103 8.891 18.193 926 H TYR 117 H TYR 117 15.352 11.392 16.845 927 HA TYR 117 HA TYR 117 15.520 8.506 17.588 928 1HB TYR 117 2HB TYR 117 18.191 9.718 17.652 929 2HB TYR 117 1HB TYR 117 17.665 8.451 16.796 930 HD1 TYR 117 HD2 TYR 117 15.713 10.401 14.826 931 HD2 TYR 117 HD1 TYR 117 19.841 10.256 15.904 932 HE1 TYR 117 HE2 TYR 117 16.289 11.465 12.692 933 HE2 TYR 117 HE1 TYR 117 20.381 11.337 13.771 934 HH TYR 117 HH TYR 117 19.081 11.391 11.297 935 H THR 118 H THR 118 15.318 8.170 19.539 936 HA THR 118 HA THR 118 16.214 10.079 21.556 937 HB THR 118 HB THR 118 14.588 7.653 22.004 938 HG1 THR 118 1HG THR 118 13.385 10.133 21.990 939 1HG2 THR 118 2HG2 THR 118 16.014 8.985 23.802 940 2HG2 THR 118 1HG2 THR 118 15.007 10.386 23.586 941 3HG2 THR 118 3HG2 THR 118 14.261 8.872 24.205 942 H TYR 119 H TYR 119 18.593 9.150 20.997 943 HA TYR 119 HA TYR 119 19.389 6.542 22.011 944 1HB TYR 119 2HB TYR 119 21.573 7.208 21.613 945 2HB TYR 119 1HB TYR 119 20.617 7.979 20.362 946 HD1 TYR 119 HD1 TYR 119 20.070 10.437 20.588 947 HD2 TYR 119 HD2 TYR 119 22.667 8.552 23.406 948 HE1 TYR 119 HE1 TYR 119 20.797 12.588 21.416 949 HE2 TYR 119 HE2 TYR 119 23.426 10.725 24.254 950 HH TYR 119 HH TYR 119 22.088 13.757 22.650 951 H GLU 120 H GLU 120 19.223 5.910 23.972 952 HA GLU 120 HA GLU 120 19.375 5.996 26.315 953 1HB GLU 120 2HB GLU 120 21.511 6.510 26.473 954 2HB GLU 120 1HB GLU 120 21.405 7.672 25.150 955 1HG GLU 120 2HG GLU 120 22.026 9.128 26.779 956 2HG GLU 120 1HG GLU 120 20.299 9.348 26.762 957 H GLY 121 H GLY 121 17.412 7.924 24.674 958 1HA GLY 121 1HA GLY 121 15.422 8.732 25.820 959 2HA GLY 121 2HA GLY 121 16.276 9.091 27.163 960 H VAL 122 H VAL 122 17.694 9.902 24.010 961 HA VAL 122 HA VAL 122 16.953 12.737 24.506 962 HB VAL 122 HB VAL 122 19.616 11.499 23.636 963 1HG1 VAL 122 3HG1 VAL 122 18.639 14.377 23.799 964 2HG1 VAL 122 2HG1 VAL 122 20.371 14.038 23.844 965 3HG1 VAL 122 1HG1 VAL 122 19.439 13.613 22.395 966 1HG2 VAL 122 3HG2 VAL 122 18.387 12.548 26.190 967 2HG2 VAL 122 2HG2 VAL 122 19.871 11.559 26.017 968 3HG2 VAL 122 1HG2 VAL 122 19.904 13.328 25.805 969 H GLU 123 H GLU 123 15.242 12.229 22.948 970 HA GLU 123 HA GLU 123 15.499 11.437 20.182 971 1HB GLU 123 2HB GLU 123 13.331 12.186 21.809 972 2HB GLU 123 1HB GLU 123 13.678 13.724 21.245 973 1HG GLU 123 2HG GLU 123 13.596 12.954 18.855 974 2HG GLU 123 1HG GLU 123 13.452 11.382 19.309 975 H ALA 124 H ALA 124 15.954 12.436 18.452 976 HA ALA 124 HA ALA 124 16.505 15.315 18.726 977 1HB ALA 124 3HB ALA 124 18.495 13.299 17.586 978 2HB ALA 124 2HB ALA 124 18.472 14.957 16.987 979 3HB ALA 124 1HB ALA 124 18.840 14.670 18.727 980 H LYS 125 H LYS 125 15.223 16.265 17.568 981 HA LYS 125 HA LYS 125 14.815 15.344 14.799 982 1HB LYS 125 2HB LYS 125 12.254 16.174 15.999 983 2HB LYS 125 1HB LYS 125 12.673 14.853 14.923 984 1HG LYS 125 2HG LYS 125 12.206 13.654 17.092 985 2HG LYS 125 1HG LYS 125 13.867 13.878 17.210 986 1HD LYS 125 2HD LYS 125 12.431 14.592 19.134 987 2HD LYS 125 1HD LYS 125 13.617 15.766 18.614 988 1HE LYS 125 2HE LYS 125 11.605 17.078 17.533 989 2HE LYS 125 1HE LYS 125 10.554 15.766 18.230 990 1HZ LYS 125 2HZ LYS 125 12.424 16.936 20.056 991 2HZ LYS 125 1HZ LYS 125 11.314 18.046 19.450 992 3HZ LYS 125 3HZ LYS 125 10.800 16.643 20.239 993 H ARG 126 H ARG 126 12.598 17.301 14.504 994 HA ARG 126 HA ARG 126 12.348 19.767 15.291 995 1HB ARG 126 2HB ARG 126 15.017 19.717 14.133 996 2HB ARG 126 1HB ARG 126 13.862 21.139 13.852 997 1HG ARG 126 2HG ARG 126 13.421 20.883 16.468 998 2HG ARG 126 1HG ARG 126 15.098 20.174 16.457 999 1HD ARG 126 2HD ARG 126 15.414 22.374 16.864 1000 2HD ARG 126 1HD ARG 126 15.779 22.258 15.122 1001 HE ARG 126 HE ARG 126 13.022 22.780 15.445 1002 1HH1 ARG 126 1HH1 ARG 126 16.085 24.323 16.119 1003 2HH1 ARG 126 2HH1 ARG 126 15.438 25.937 16.007 1004 1HH2 ARG 126 2HH2 ARG 126 12.208 24.979 15.291 1005 2HH2 ARG 126 1HH2 ARG 126 13.197 26.356 15.521 1006 H ILE 127 H ILE 127 13.738 17.882 12.730 1007 HA ILE 127 HA ILE 127 12.243 16.884 11.122 1008 HB ILE 127 HB ILE 127 10.931 19.593 11.044 1009 1HG1 ILE 127 2HG1 ILE 127 9.076 18.281 11.576 1010 2HG1 ILE 127 1HG1 ILE 127 9.803 16.832 10.869 1011 1HG2 ILE 127 2HG2 ILE 127 11.284 19.041 8.707 1012 2HG2 ILE 127 1HG2 ILE 127 10.404 17.496 9.004 1013 3HG2 ILE 127 3HG2 ILE 127 9.589 19.036 9.120 1014 1HD1 ILE 127 2HD1 ILE 127 11.233 16.613 13.034 1015 2HD1 ILE 127 1HD1 ILE 127 10.415 18.072 13.706 1016 3HD1 ILE 127 3HD1 ILE 127 9.496 16.652 13.369 1017 H PHE 128 H PHE 128 12.123 16.808 9.089 1018 HA PHE 128 HA PHE 128 14.344 16.974 7.498 1019 1HB PHE 128 2HB PHE 128 12.728 16.515 5.684 1020 2HB PHE 128 1HB PHE 128 12.122 15.655 7.044 1021 HD1 PHE 128 HD1 PHE 128 11.696 19.093 5.392 1022 HD2 PHE 128 HD2 PHE 128 9.873 15.856 7.434 1023 HE1 PHE 128 HE1 PHE 128 9.554 20.143 5.004 1024 HE2 PHE 128 HE2 PHE 128 7.686 16.882 7.059 1025 HZ PHE 128 HZ PHE 128 7.472 19.030 5.851 1026 H LYS 129 H LYS 129 14.647 17.760 5.674 1027 HA LYS 129 HA LYS 129 13.876 20.538 5.282 1028 1HB LYS 129 2HB LYS 129 16.206 20.436 6.241 1029 2HB LYS 129 1HB LYS 129 16.713 19.969 4.592 1030 1HG LYS 129 2HG LYS 129 14.694 22.056 4.378 1031 2HG LYS 129 1HG LYS 129 15.688 22.539 5.692 1032 1HD LYS 129 2HD LYS 129 16.791 21.659 3.027 1033 2HD LYS 129 1HD LYS 129 16.430 23.347 3.395 1034 1HE LYS 129 2HE LYS 129 17.965 22.490 5.631 1035 2HE LYS 129 1HE LYS 129 18.655 21.577 4.350 1036 1HZ LYS 129 3HZ LYS 129 18.708 24.031 3.197 1037 2HZ LYS 129 2HZ LYS 129 18.758 24.457 4.832 1038 3HZ LYS 129 1HZ LYS 129 19.930 23.436 4.172 1039 H LYS 130 H LYS 130 13.028 18.036 4.598 1040 HA LYS 130 HA LYS 130 13.015 16.785 2.498 1041 1HB LYS 130 2HB LYS 130 11.068 16.693 2.874 1042 2HB LYS 130 1HB LYS 130 10.806 18.468 3.196 1043 1HG LYS 130 2HG LYS 130 11.220 17.243 0.470 1044 2HG LYS 130 1HG LYS 130 9.711 16.912 1.181 1045 1HD LYS 130 2HD LYS 130 10.020 19.760 1.530 1046 2HD LYS 130 1HD LYS 130 10.678 19.439 -0.063 1047 1HE LYS 130 2HE LYS 130 8.444 18.706 -0.880 1048 2HE LYS 130 1HE LYS 130 7.892 18.385 0.743 1049 1HZ LYS 130 1HZ LYS 130 8.590 21.108 -0.212 1050 2HZ LYS 130 3HZ LYS 130 7.053 20.421 -0.312 1051 3HZ LYS 130 2HZ LYS 130 7.781 20.702 1.198 1052 H GLU 131 H GLU 131 13.022 16.635 0.533 1053 HA GLU 131 HA GLU 131 13.506 19.068 -1.022 1054 1HB GLU 131 2HB GLU 131 15.446 17.910 0.090 1055 2HB GLU 131 1HB GLU 131 15.263 16.759 -0.760 1056 1HG GLU 131 2HG GLU 131 17.217 18.420 -1.431 1057 2HG GLU 131 1HG GLU 131 16.430 17.574 -2.707 No H/Q in entry = 1057 Start of MODEL 19 1 1H ALA 1 2H ALA 1 3.060 8.840 4.351 2 2H ALA 1 1H ALA 1 2.022 10.116 4.174 3 3H ALA 1 3H ALA 1 2.904 9.608 2.869 4 HA ALA 1 HA ALA 1 4.143 11.414 3.518 5 1HB ALA 1 2HB ALA 1 2.888 10.533 6.014 6 2HB ALA 1 1HB ALA 1 4.624 10.542 6.308 7 3HB ALA 1 3HB ALA 1 3.877 12.040 5.751 8 H PHE 2 H PHE 2 6.519 11.205 3.736 9 HA PHE 2 HA PHE 2 8.488 9.962 4.342 10 1HB PHE 2 2HB PHE 2 6.845 7.439 3.994 11 2HB PHE 2 1HB PHE 2 8.599 7.530 3.863 12 HD1 PHE 2 HD1 PHE 2 9.960 8.724 5.600 13 HD2 PHE 2 HD2 PHE 2 6.046 7.113 6.382 14 HE1 PHE 2 HE1 PHE 2 10.497 8.588 7.954 15 HE2 PHE 2 HE2 PHE 2 6.579 6.970 8.735 16 HZ PHE 2 HZ PHE 2 8.819 7.699 9.630 17 H ASP 3 H ASP 3 6.912 10.698 1.650 18 HA ASP 3 HA ASP 3 8.666 9.156 -0.275 19 1HB ASP 3 2HB ASP 3 7.127 10.130 -2.093 20 2HB ASP 3 1HB ASP 3 6.493 8.811 -1.036 21 H GLY 4 H GLY 4 9.729 10.350 -2.078 22 1HA GLY 4 1HA GLY 4 10.585 12.535 -2.873 23 2HA GLY 4 2HA GLY 4 9.619 13.262 -1.675 24 H THR 5 H THR 5 11.696 14.390 -1.802 25 HA THR 5 HA THR 5 13.986 13.613 -0.056 26 HB THR 5 HB THR 5 15.074 15.208 -0.677 27 HG1 THR 5 1HG THR 5 14.551 16.644 0.650 28 1HG2 THR 5 1HG2 THR 5 12.511 15.913 -2.277 29 2HG2 THR 5 3HG2 THR 5 14.115 16.642 -2.661 30 3HG2 THR 5 2HG2 THR 5 13.805 14.917 -2.861 31 H TRP 6 H TRP 6 14.584 14.938 1.474 32 HA TRP 6 HA TRP 6 12.854 15.788 3.671 33 1HB TRP 6 2HB TRP 6 14.012 12.949 3.238 34 2HB TRP 6 1HB TRP 6 13.806 13.761 4.762 35 HD1 TRP 6 HD1 TRP 6 12.066 11.248 2.992 36 HE1 TRP 6 HE1 TRP 6 9.544 11.155 3.036 37 HE3 TRP 6 HE3 TRP 6 11.161 15.941 4.744 38 HZ2 TRP 6 HZ2 TRP 6 7.427 12.826 3.706 39 HZ3 TRP 6 HZ3 TRP 6 8.813 16.541 5.079 40 HH2 TRP 6 HH2 TRP 6 6.971 15.057 4.563 41 H LYS 7 H LYS 7 14.298 16.092 5.484 42 HA LYS 7 HA LYS 7 17.227 15.681 5.042 43 1HB LYS 7 2HB LYS 7 16.338 18.464 5.311 44 2HB LYS 7 1HB LYS 7 17.795 17.883 4.658 45 1HG LYS 7 2HG LYS 7 16.523 16.801 2.813 46 2HG LYS 7 1HG LYS 7 15.064 17.439 3.128 47 1HD LYS 7 2HD LYS 7 16.062 18.505 1.239 48 2HD LYS 7 1HD LYS 7 16.327 19.787 2.381 49 1HE LYS 7 2HE LYS 7 18.630 18.730 2.933 50 2HE LYS 7 1HE LYS 7 18.347 17.744 1.508 51 1HZ LYS 7 1HZ LYS 7 18.035 20.016 0.329 52 2HZ LYS 7 3HZ LYS 7 18.704 20.700 1.705 53 3HZ LYS 7 2HZ LYS 7 19.590 19.581 0.826 54 H VAL 8 H VAL 8 17.578 18.160 6.714 55 HA VAL 8 HA VAL 8 16.183 17.553 9.190 56 HB VAL 8 HB VAL 8 19.061 16.955 9.043 57 1HG1 VAL 8 1HG1 VAL 8 17.498 18.270 11.153 58 2HG1 VAL 8 3HG1 VAL 8 17.862 16.666 11.714 59 3HG1 VAL 8 2HG1 VAL 8 19.182 17.812 11.280 60 1HG2 VAL 8 1HG2 VAL 8 16.650 15.335 9.842 61 2HG2 VAL 8 3HG2 VAL 8 17.861 14.931 8.604 62 3HG2 VAL 8 2HG2 VAL 8 18.278 14.861 10.347 63 H ASP 9 H ASP 9 15.591 19.485 7.973 64 HA ASP 9 HA ASP 9 16.787 21.867 7.431 65 1HB ASP 9 2HB ASP 9 14.348 20.902 7.776 66 2HB ASP 9 1HB ASP 9 14.476 21.661 9.287 67 H ARG 10 H ARG 10 15.663 20.694 10.556 68 HA ARG 10 HA ARG 10 17.289 22.915 11.821 69 1HB ARG 10 2HB ARG 10 15.263 22.602 13.546 70 2HB ARG 10 1HB ARG 10 15.475 23.866 12.354 71 1HG ARG 10 2HG ARG 10 14.060 21.438 11.319 72 2HG ARG 10 1HG ARG 10 13.193 22.307 12.535 73 1HD ARG 10 2HD ARG 10 13.267 24.467 11.248 74 2HD ARG 10 1HD ARG 10 14.215 23.642 9.962 75 HE ARG 10 HE ARG 10 12.210 22.010 9.940 76 1HH1 ARG 10 1HH2 ARG 10 11.803 25.541 10.508 77 2HH1 ARG 10 2HH2 ARG 10 10.193 25.498 9.851 78 1HH2 ARG 10 1HH1 ARG 10 10.116 22.146 9.097 79 2HH2 ARG 10 2HH1 ARG 10 9.309 23.690 9.104 80 H ASN 11 H ASN 11 17.502 22.514 14.282 81 HA ASN 11 HA ASN 11 17.735 19.592 14.784 82 1HB ASN 11 2HB ASN 11 20.124 19.820 15.321 83 2HB ASN 11 1HB ASN 11 19.749 19.976 13.627 84 1HD2 ASN 11 1HD2 ASN 11 21.658 21.082 16.069 85 2HD2 ASN 11 2HD2 ASN 11 21.998 22.695 15.491 86 H GLU 12 H GLU 12 16.724 19.418 16.540 87 HA GLU 12 HA GLU 12 16.888 21.515 18.672 88 1HB GLU 12 2HB GLU 12 15.124 19.194 18.194 89 2HB GLU 12 1HB GLU 12 15.756 19.169 19.806 90 1HG GLU 12 2HG GLU 12 14.735 21.789 18.793 91 2HG GLU 12 1HG GLU 12 13.574 20.557 19.166 92 H ASN 13 H ASN 13 17.223 18.035 19.433 93 HA ASN 13 HA ASN 13 19.500 18.630 21.210 94 1HB ASN 13 2HB ASN 13 17.283 16.845 21.064 95 2HB ASN 13 1HB ASN 13 18.745 15.886 21.154 96 1HD2 ASN 13 1HD2 ASN 13 17.260 17.761 24.445 97 2HD2 ASN 13 2HD2 ASN 13 16.412 17.446 22.985 98 H TYR 14 H TYR 14 19.089 17.742 17.953 99 HA TYR 14 HA TYR 14 20.667 15.760 17.128 100 1HB TYR 14 2HB TYR 14 19.514 17.770 15.994 101 2HB TYR 14 1HB TYR 14 21.155 18.364 15.993 102 HD1 TYR 14 HD1 TYR 14 22.972 16.493 15.398 103 HD2 TYR 14 HD2 TYR 14 18.893 16.495 14.063 104 HE1 TYR 14 HE1 TYR 14 23.632 15.025 13.446 105 HE2 TYR 14 HE2 TYR 14 19.532 15.088 12.182 106 HH TYR 14 HH TYR 14 21.124 14.072 11.091 107 H GLU 15 H GLU 15 22.253 18.887 18.080 108 HA GLU 15 HA GLU 15 24.840 17.927 17.422 109 1HB GLU 15 2HB GLU 15 25.725 19.770 18.122 110 2HB GLU 15 1HB GLU 15 24.054 20.276 17.788 111 1HG GLU 15 2HG GLU 15 23.562 19.930 20.279 112 2HG GLU 15 1HG GLU 15 25.335 19.766 20.503 113 H LYS 16 H LYS 16 23.083 17.885 20.572 114 HA LYS 16 HA LYS 16 25.340 16.753 22.088 115 1HB LYS 16 2HB LYS 16 23.531 18.402 22.794 116 2HB LYS 16 1HB LYS 16 22.559 16.912 23.062 117 1HG LYS 16 2HG LYS 16 23.930 16.190 24.776 118 2HG LYS 16 1HG LYS 16 25.383 17.024 24.125 119 1HD LYS 16 2HD LYS 16 23.081 18.758 25.015 120 2HD LYS 16 1HD LYS 16 23.849 17.957 26.260 121 1HE LYS 16 2HE LYS 16 25.953 19.172 25.907 122 2HE LYS 16 1HE LYS 16 25.484 19.663 24.279 123 1HZ LYS 16 3HZ LYS 16 23.725 21.007 25.272 124 2HZ LYS 16 2HZ LYS 16 24.300 20.614 26.815 125 3HZ LYS 16 1HZ LYS 16 25.276 21.435 25.700 126 H PHE 17 H PHE 17 22.589 15.435 20.237 127 HA PHE 17 HA PHE 17 22.588 12.908 21.602 128 1HB PHE 17 2HB PHE 17 20.663 12.819 20.525 129 2HB PHE 17 1HB PHE 17 21.141 14.269 19.605 130 HD1 PHE 17 HD2 PHE 17 22.491 13.778 17.332 131 HD2 PHE 17 HD1 PHE 17 20.513 10.761 19.576 132 HE1 PHE 17 HE2 PHE 17 22.576 12.256 15.359 133 HE2 PHE 17 HE1 PHE 17 20.568 9.213 17.684 134 HZ PHE 17 HZ PHE 17 21.625 9.992 15.528 135 H MET 18 H MET 18 24.333 14.172 18.896 136 HA MET 18 HA MET 18 25.492 11.734 17.806 137 1HB MET 18 2HB MET 18 25.742 14.711 17.599 138 2HB MET 18 1HB MET 18 27.160 13.714 17.118 139 1HG MET 18 2HG MET 18 25.434 12.261 15.802 140 2HG MET 18 1HG MET 18 24.277 13.530 15.998 141 1HE MET 18 3HE MET 18 25.024 11.995 13.744 142 2HE MET 18 2HE MET 18 24.418 13.374 12.793 143 3HE MET 18 1HE MET 18 26.050 12.704 12.469 144 H GLU 19 H GLU 19 26.389 14.434 19.836 145 HA GLU 19 HA GLU 19 29.090 14.075 20.292 146 1HB GLU 19 2HB GLU 19 27.384 15.866 21.205 147 2HB GLU 19 1HB GLU 19 26.978 14.647 22.380 148 1HG GLU 19 2HG GLU 19 28.898 14.690 23.550 149 2HG GLU 19 1HG GLU 19 29.908 15.051 22.195 150 H LYS 20 H LYS 20 26.290 12.742 22.006 151 HA LYS 20 HA LYS 20 27.775 11.873 24.206 152 1HB LYS 20 2HB LYS 20 25.094 11.781 23.148 153 2HB LYS 20 1HB LYS 20 25.461 10.359 24.125 154 1HG LYS 20 2HG LYS 20 24.471 12.278 25.533 155 2HG LYS 20 1HG LYS 20 26.129 11.718 26.014 156 1HD LYS 20 2HD LYS 20 27.244 13.525 25.110 157 2HD LYS 20 1HD LYS 20 25.924 14.050 24.106 158 1HE LYS 20 2HE LYS 20 25.585 15.527 25.878 159 2HE LYS 20 1HE LYS 20 24.784 14.128 26.654 160 1HZ LYS 20 2HZ LYS 20 27.667 14.306 26.791 161 2HZ LYS 20 1HZ LYS 20 26.793 15.285 27.818 162 3HZ LYS 20 3HZ LYS 20 26.588 13.584 27.854 163 H MET 21 H MET 21 27.180 10.329 21.137 164 HA MET 21 HA MET 21 27.800 7.554 21.985 165 1HB MET 21 2HB MET 21 28.009 8.287 19.175 166 2HB MET 21 1HB MET 21 27.410 6.798 19.905 167 1HG MET 21 2HG MET 21 25.676 9.066 20.631 168 2HG MET 21 1HG MET 21 26.021 9.087 18.870 169 1HE MET 21 1HE MET 21 23.483 9.309 19.421 170 2HE MET 21 3HE MET 21 22.407 7.931 19.635 171 3HE MET 21 2HE MET 21 23.343 8.548 21.066 172 H GLY 22 H GLY 22 29.556 10.401 21.345 173 1HA GLY 22 1HA GLY 22 31.926 10.172 21.896 174 2HA GLY 22 2HA GLY 22 32.039 8.838 20.783 175 H ILE 23 H ILE 23 29.948 11.351 19.675 176 HA ILE 23 HA ILE 23 31.755 12.157 17.532 177 HB ILE 23 HB ILE 23 29.082 13.162 18.476 178 1HG1 ILE 23 2HG1 ILE 23 28.034 11.801 16.986 179 2HG1 ILE 23 1HG1 ILE 23 29.297 12.027 15.787 180 1HG2 ILE 23 3HG2 ILE 23 30.545 14.939 17.148 181 2HG2 ILE 23 2HG2 ILE 23 30.549 13.814 15.812 182 3HG2 ILE 23 1HG2 ILE 23 29.031 14.567 16.366 183 1HD1 ILE 23 3HD1 ILE 23 30.828 10.451 17.074 184 2HD1 ILE 23 2HD1 ILE 23 29.460 10.084 18.142 185 3HD1 ILE 23 1HD1 ILE 23 29.377 9.713 16.391 186 H ASN 24 H ASN 24 33.526 12.786 18.724 187 HA ASN 24 HA ASN 24 33.761 14.636 20.792 188 1HB ASN 24 2HB ASN 24 35.581 13.452 19.541 189 2HB ASN 24 1HB ASN 24 35.678 15.024 18.711 190 1HD2 ASN 24 2HD2 ASN 24 37.660 14.729 22.083 191 2HD2 ASN 24 1HD2 ASN 24 37.422 13.610 20.774 192 H VAL 25 H VAL 25 33.848 16.832 21.061 193 HA VAL 25 HA VAL 25 32.105 18.351 19.424 194 HB VAL 25 HB VAL 25 32.160 20.121 20.498 195 1HG1 VAL 25 2HG1 VAL 25 31.098 17.823 21.225 196 2HG1 VAL 25 1HG1 VAL 25 32.132 17.994 22.681 197 3HG1 VAL 25 3HG1 VAL 25 30.921 19.246 22.233 198 1HG2 VAL 25 3HG2 VAL 25 34.816 19.366 21.265 199 2HG2 VAL 25 2HG2 VAL 25 33.891 20.651 22.074 200 3HG2 VAL 25 1HG2 VAL 25 33.887 19.007 22.761 201 H VAL 26 H VAL 26 35.548 17.944 18.990 202 HA VAL 26 HA VAL 26 36.169 20.473 17.704 203 HB VAL 26 HB VAL 26 37.942 19.231 18.493 204 1HG1 VAL 26 2HG1 VAL 26 36.617 17.042 16.934 205 2HG1 VAL 26 1HG1 VAL 26 38.409 17.092 16.938 206 3HG1 VAL 26 3HG1 VAL 26 37.487 17.001 18.482 207 1HG2 VAL 26 1HG2 VAL 26 38.140 20.448 16.109 208 2HG2 VAL 26 3HG2 VAL 26 39.258 19.076 16.254 209 3HG2 VAL 26 2HG2 VAL 26 37.747 18.889 15.391 210 H LYS 27 H LYS 27 34.465 17.657 16.842 211 HA LYS 27 HA LYS 27 34.366 18.068 13.949 212 1HB LYS 27 2HB LYS 27 34.520 15.940 14.621 213 2HB LYS 27 1HB LYS 27 33.249 16.127 15.863 214 1HG LYS 27 2HG LYS 27 31.490 15.836 14.259 215 2HG LYS 27 1HG LYS 27 32.217 16.887 13.168 216 1HD LYS 27 2HD LYS 27 31.901 14.279 12.713 217 2HD LYS 27 1HD LYS 27 33.056 15.330 11.891 218 1HE LYS 27 2HE LYS 27 34.183 13.197 12.513 219 2HE LYS 27 1HE LYS 27 34.884 14.597 13.315 220 1HZ LYS 27 2HZ LYS 27 32.823 13.211 14.856 221 2HZ LYS 27 1HZ LYS 27 34.244 12.345 14.495 222 3HZ LYS 27 3HZ LYS 27 34.306 13.855 15.295 223 H ARG 28 H ARG 28 32.657 18.972 16.844 224 HA ARG 28 HA ARG 28 30.094 19.455 16.043 225 1HB ARG 28 2HB ARG 28 31.215 19.806 18.330 226 2HB ARG 28 1HB ARG 28 31.292 21.544 17.768 227 1HG ARG 28 2HG ARG 28 28.736 20.372 17.100 228 2HG ARG 28 1HG ARG 28 29.098 20.011 18.767 229 1HD ARG 28 2HD ARG 28 29.063 22.848 17.534 230 2HD ARG 28 1HD ARG 28 27.854 22.175 18.460 231 HE ARG 28 HE ARG 28 30.394 22.278 19.882 232 1HH1 ARG 28 1HH1 ARG 28 27.498 24.208 18.907 233 2HH1 ARG 28 2HH1 ARG 28 27.773 25.350 20.214 234 1HH2 ARG 28 2HH2 ARG 28 30.590 23.905 21.538 235 2HH2 ARG 28 1HH2 ARG 28 29.404 25.205 21.630 236 H LYS 29 H LYS 29 32.906 21.088 15.030 237 HA LYS 29 HA LYS 29 31.616 23.606 14.418 238 1HB LYS 29 2HB LYS 29 33.722 23.518 12.681 239 2HB LYS 29 1HB LYS 29 33.397 24.458 14.202 240 1HG LYS 29 2HG LYS 29 34.527 21.709 14.407 241 2HG LYS 29 1HG LYS 29 35.608 23.001 13.981 242 1HD LYS 29 2HD LYS 29 35.807 22.980 16.325 243 2HD LYS 29 1HD LYS 29 34.729 24.340 15.951 244 1HE LYS 29 2HE LYS 29 33.302 21.793 16.708 245 2HE LYS 29 1HE LYS 29 34.201 22.646 17.943 246 1HZ LYS 29 3HZ LYS 29 32.380 24.066 16.128 247 2HZ LYS 29 2HZ LYS 29 31.857 23.362 17.591 248 3HZ LYS 29 1HZ LYS 29 33.046 24.559 17.603 249 H LEU 30 H LEU 30 32.252 20.571 12.704 250 HA LEU 30 HA LEU 30 30.694 21.641 10.352 251 1HB LEU 30 2HB LEU 30 33.167 19.965 10.495 252 2HB LEU 30 1HB LEU 30 31.899 19.294 9.517 253 HG LEU 30 HG LEU 30 33.348 20.695 8.135 254 1HD1 LEU 30 2HD1 LEU 30 30.494 20.801 8.270 255 2HD1 LEU 30 1HD1 LEU 30 30.934 22.506 8.147 256 3HD1 LEU 30 3HD1 LEU 30 31.517 21.392 6.933 257 1HD2 LEU 30 3HD2 LEU 30 33.166 22.639 10.369 258 2HD2 LEU 30 2HD2 LEU 30 34.313 22.583 9.014 259 3HD2 LEU 30 1HD2 LEU 30 32.743 23.386 8.848 260 H GLY 31 H GLY 31 30.531 19.529 13.026 261 1HA GLY 31 1HA GLY 31 29.040 17.419 11.679 262 2HA GLY 31 2HA GLY 31 29.256 17.571 13.426 263 H ALA 32 H ALA 32 28.257 20.307 13.430 264 HA ALA 32 HA ALA 32 25.371 19.626 13.481 265 1HB ALA 32 2HB ALA 32 26.428 20.683 15.461 266 2HB ALA 32 1HB ALA 32 26.613 22.198 14.489 267 3HB ALA 32 3HB ALA 32 25.000 21.548 14.744 268 H HIS 33 H HIS 33 23.752 21.128 12.635 269 HA HIS 33 HA HIS 33 22.721 22.395 10.998 270 1HB HIS 33 2HB HIS 33 25.460 23.425 10.206 271 2HB HIS 33 1HB HIS 33 23.908 24.245 10.028 272 HD1 HIS 33 HD1 HIS 33 26.280 25.738 11.548 273 HD2 HIS 33 HD2 HIS 33 23.296 23.327 13.349 274 HE1 HIS 33 HE1 HIS 33 26.071 26.389 13.976 275 HE2 HIS 33 HE2 HIS 33 24.284 24.979 15.100 276 H ASP 34 H ASP 34 23.890 19.799 10.578 277 HA ASP 34 HA ASP 34 24.853 19.772 7.745 278 1HB ASP 34 2HB ASP 34 25.118 17.443 7.983 279 2HB ASP 34 1HB ASP 34 26.069 18.419 9.114 280 H ASN 35 H ASN 35 23.230 20.356 6.558 281 HA ASN 35 HA ASN 35 20.587 19.368 6.321 282 1HB ASN 35 2HB ASN 35 22.536 20.931 4.893 283 2HB ASN 35 1HB ASN 35 21.988 19.745 3.707 284 1HD2 ASN 35 1HD2 ASN 35 18.426 20.955 4.338 285 2HD2 ASN 35 2HD2 ASN 35 19.245 19.523 4.936 286 H LEU 36 H LEU 36 20.677 17.039 6.894 287 HA LEU 36 HA LEU 36 22.215 15.430 4.931 288 1HB LEU 36 2HB LEU 36 22.728 14.903 7.010 289 2HB LEU 36 1HB LEU 36 21.074 14.784 7.569 290 HG LEU 36 HG LEU 36 21.691 13.062 5.246 291 1HD1 LEU 36 2HD1 LEU 36 23.708 13.100 7.472 292 2HD1 LEU 36 1HD1 LEU 36 23.161 11.484 6.970 293 3HD1 LEU 36 3HD1 LEU 36 23.816 12.587 5.768 294 1HD2 LEU 36 3HD2 LEU 36 20.535 12.753 8.104 295 2HD2 LEU 36 2HD2 LEU 36 19.741 12.496 6.522 296 3HD2 LEU 36 1HD2 LEU 36 20.879 11.290 7.209 297 H LYS 37 H LYS 37 20.792 15.628 3.197 298 HA LYS 37 HA LYS 37 18.006 15.506 3.332 299 1HB LYS 37 2HB LYS 37 19.531 16.019 1.313 300 2HB LYS 37 1HB LYS 37 19.515 14.274 1.057 301 1HG LYS 37 2HG LYS 37 16.862 14.503 1.128 302 2HG LYS 37 1HG LYS 37 17.203 16.278 1.169 303 1HD LYS 37 2HD LYS 37 17.234 14.352 -1.036 304 2HD LYS 37 1HD LYS 37 16.770 16.031 -0.951 305 1HE LYS 37 2HE LYS 37 19.538 16.331 -0.615 306 2HE LYS 37 1HE LYS 37 19.518 14.828 -1.511 307 1HZ LYS 37 2HZ LYS 37 17.906 16.131 -3.082 308 2HZ LYS 37 1HZ LYS 37 18.707 17.463 -2.375 309 3HZ LYS 37 3HZ LYS 37 19.594 16.273 -3.163 310 H LEU 38 H LEU 38 17.509 13.781 4.901 311 HA LEU 38 HA LEU 38 18.341 11.043 4.810 312 1HB LEU 38 2HB LEU 38 15.996 12.271 6.083 313 2HB LEU 38 1HB LEU 38 15.344 11.281 4.895 314 HG LEU 38 HG LEU 38 15.543 10.197 7.060 315 1HD1 LEU 38 3HD1 LEU 38 15.401 8.924 4.762 316 2HD1 LEU 38 2HD1 LEU 38 17.171 8.672 4.949 317 3HD1 LEU 38 1HD1 LEU 38 16.033 7.961 6.077 318 1HD2 LEU 38 2HD2 LEU 38 18.219 11.110 6.944 319 2HD2 LEU 38 1HD2 LEU 38 17.753 9.658 7.891 320 3HD2 LEU 38 3HD2 LEU 38 18.427 9.521 6.226 321 H THR 39 H THR 39 16.193 12.969 2.983 322 HA THR 39 HA THR 39 14.759 12.733 1.418 323 HB THR 39 HB THR 39 16.508 10.832 -0.130 324 HG1 THR 39 1HG THR 39 17.649 12.555 1.145 325 1HG2 THR 39 2HG2 THR 39 14.418 12.077 -1.154 326 2HG2 THR 39 1HG2 THR 39 15.520 13.488 -1.189 327 3HG2 THR 39 3HG2 THR 39 15.929 12.098 -2.127 328 H ILE 40 H ILE 40 12.814 11.215 1.276 329 HA ILE 40 HA ILE 40 13.597 8.305 1.563 330 HB ILE 40 HB ILE 40 11.128 9.589 2.624 331 1HG1 ILE 40 2HG1 ILE 40 13.288 8.260 4.291 332 2HG1 ILE 40 1HG1 ILE 40 13.678 9.794 3.602 333 1HG2 ILE 40 2HG2 ILE 40 10.957 7.143 1.816 334 2HG2 ILE 40 1HG2 ILE 40 12.183 6.758 3.050 335 3HG2 ILE 40 3HG2 ILE 40 10.609 7.434 3.524 336 1HD1 ILE 40 3HD1 ILE 40 11.004 10.074 4.745 337 2HD1 ILE 40 2HD1 ILE 40 11.985 9.236 5.980 338 3HD1 ILE 40 1HD1 ILE 40 12.493 10.805 5.335 339 H THR 41 H THR 41 12.806 6.793 0.361 340 HA THR 41 HA THR 41 10.513 7.247 -1.450 341 HB THR 41 HB THR 41 12.668 6.025 -2.934 342 HG1 THR 41 1HG THR 41 13.222 8.357 -3.411 343 1HG2 THR 41 3HG2 THR 41 10.178 6.791 -3.589 344 2HG2 THR 41 2HG2 THR 41 10.889 8.436 -3.619 345 3HG2 THR 41 1HG2 THR 41 11.462 7.185 -4.722 346 H GLN 42 H GLN 42 9.504 5.706 -0.306 347 HA GLN 42 HA GLN 42 10.469 3.182 0.488 348 1HB GLN 42 2HB GLN 42 7.987 2.655 0.461 349 2HB GLN 42 1HB GLN 42 8.426 4.026 1.428 350 1HG GLN 42 2HG GLN 42 7.473 5.615 -0.187 351 2HG GLN 42 1HG GLN 42 7.499 4.427 -1.466 352 1HE2 GLN 42 2HE2 GLN 42 4.133 3.845 -1.126 353 2HE2 GLN 42 1HE2 GLN 42 5.574 4.072 -2.111 354 H GLU 43 H GLU 43 10.402 1.180 -0.454 355 HA GLU 43 HA GLU 43 9.193 0.937 -3.183 356 1HB GLU 43 2HB GLU 43 11.952 1.444 -2.643 357 2HB GLU 43 1HB GLU 43 11.883 -0.261 -2.917 358 1HG GLU 43 2HG GLU 43 10.177 0.799 -4.942 359 2HG GLU 43 1HG GLU 43 11.622 1.953 -4.868 360 H GLY 44 H GLY 44 7.726 -0.619 -2.301 361 1HA GLY 44 1HA GLY 44 6.919 -2.519 -1.207 362 2HA GLY 44 2HA GLY 44 8.435 -3.294 -1.753 363 H ASN 45 H ASN 45 10.086 -3.666 -0.346 364 HA ASN 45 HA ASN 45 9.788 -2.427 2.378 365 1HB ASN 45 2HB ASN 45 11.642 -4.718 2.322 366 2HB ASN 45 1HB ASN 45 10.357 -4.295 3.429 367 1HD2 ASN 45 2HD2 ASN 45 7.701 -6.032 1.697 368 2HD2 ASN 45 1HD2 ASN 45 8.090 -4.585 2.539 369 H LYS 46 H LYS 46 11.617 -1.569 3.238 370 HA LYS 46 HA LYS 46 13.789 -0.728 3.299 371 1HB LYS 46 2HB LYS 46 15.393 -1.180 1.778 372 2HB LYS 46 1HB LYS 46 14.234 -2.446 1.266 373 1HG LYS 46 2HG LYS 46 13.432 -0.447 -0.417 374 2HG LYS 46 1HG LYS 46 15.123 -0.017 -0.204 375 1HD LYS 46 2HD LYS 46 15.778 -1.485 -1.602 376 2HD LYS 46 1HD LYS 46 15.129 -2.818 -0.681 377 1HE LYS 46 2HE LYS 46 12.802 -2.203 -1.886 378 2HE LYS 46 1HE LYS 46 13.815 -1.154 -2.891 379 1HZ LYS 46 2HZ LYS 46 14.420 -4.042 -2.660 380 2HZ LYS 46 1HZ LYS 46 13.261 -3.429 -3.685 381 3HZ LYS 46 3HZ LYS 46 14.866 -2.917 -3.864 382 H PHE 47 H PHE 47 14.953 0.898 1.474 383 HA PHE 47 HA PHE 47 12.958 2.174 -0.133 384 1HB PHE 47 2HB PHE 47 13.844 4.338 1.571 385 2HB PHE 47 1HB PHE 47 12.155 3.885 1.221 386 HD1 PHE 47 HD1 PHE 47 15.060 3.823 3.423 387 HD2 PHE 47 HD2 PHE 47 11.055 2.319 3.082 388 HE1 PHE 47 HE1 PHE 47 15.103 3.240 5.795 389 HE2 PHE 47 HE2 PHE 47 11.093 1.722 5.494 390 HZ PHE 47 HZ PHE 47 13.093 2.172 6.864 391 H THR 48 H THR 48 13.824 3.463 -1.619 392 HA THR 48 HA THR 48 16.715 3.626 -1.715 393 HB THR 48 HB THR 48 14.552 4.816 -3.561 394 HG1 THR 48 1HG THR 48 16.396 2.909 -4.392 395 1HG2 THR 48 3HG2 THR 48 17.563 5.260 -3.513 396 2HG2 THR 48 2HG2 THR 48 16.833 4.928 -5.089 397 3HG2 THR 48 1HG2 THR 48 16.247 6.290 -4.109 398 H VAL 49 H VAL 49 16.741 4.661 0.318 399 HA VAL 49 HA VAL 49 15.656 7.426 0.671 400 HB VAL 49 HB VAL 49 16.395 5.112 2.267 401 1HG1 VAL 49 2HG1 VAL 49 17.729 7.721 2.973 402 2HG1 VAL 49 1HG1 VAL 49 17.350 6.534 4.217 403 3HG1 VAL 49 3HG1 VAL 49 18.490 6.147 2.882 404 1HG2 VAL 49 1HG2 VAL 49 14.179 6.437 2.428 405 2HG2 VAL 49 3HG2 VAL 49 14.967 6.179 3.977 406 3HG2 VAL 49 2HG2 VAL 49 15.120 7.763 3.155 407 H LYS 50 H LYS 50 17.181 9.087 0.560 408 HA LYS 50 HA LYS 50 19.875 8.420 -0.455 409 1HB LYS 50 2HB LYS 50 18.220 10.435 -0.851 410 2HB LYS 50 1HB LYS 50 18.928 11.105 0.601 411 1HG LYS 50 2HG LYS 50 21.113 11.372 -0.484 412 2HG LYS 50 1HG LYS 50 20.757 10.147 -1.699 413 1HD LYS 50 2HD LYS 50 18.823 11.862 -2.261 414 2HD LYS 50 1HD LYS 50 20.095 13.021 -1.592 415 1HE LYS 50 2HE LYS 50 20.485 10.900 -3.712 416 2HE LYS 50 1HE LYS 50 20.653 12.701 -3.941 417 1HZ LYS 50 1HZ LYS 50 22.283 12.314 -1.940 418 2HZ LYS 50 3HZ LYS 50 22.360 10.748 -2.550 419 3HZ LYS 50 2HZ LYS 50 22.785 12.091 -3.517 420 H GLU 51 H GLU 51 20.490 11.092 1.291 421 HA GLU 51 HA GLU 51 20.342 11.265 3.622 422 1HB GLU 51 2HB GLU 51 20.790 8.692 4.171 423 2HB GLU 51 1HB GLU 51 22.273 8.840 3.257 424 1HG GLU 51 2HG GLU 51 23.432 9.559 4.977 425 2HG GLU 51 1HG GLU 51 22.193 10.773 5.401 426 H SER 52 H SER 52 21.238 12.838 2.022 427 HA SER 52 HA SER 52 24.201 12.749 1.651 428 1HB SER 52 2HB SER 52 21.923 14.089 0.316 429 2HB SER 52 1HB SER 52 23.565 14.847 0.238 430 HG SER 52 HG SER 52 23.864 13.404 -1.233 431 H SER 53 H SER 53 25.204 13.679 3.317 432 HA SER 53 HA SER 53 24.032 16.174 4.524 433 1HB SER 53 2HB SER 53 25.563 15.844 6.429 434 2HB SER 53 1HB SER 53 24.384 14.567 6.142 435 HG SER 53 HG SER 53 26.808 14.223 4.880 436 H ASN 54 H ASN 54 25.352 16.474 2.007 437 HA ASN 54 HA ASN 54 27.094 17.776 1.122 438 1HB ASN 54 2HB ASN 54 25.998 19.154 3.050 439 2HB ASN 54 1HB ASN 54 27.522 18.906 3.898 440 1HD2 ASN 54 2HD2 ASN 54 29.055 20.724 0.799 441 2HD2 ASN 54 1HD2 ASN 54 29.081 19.019 1.149 442 H PHE 55 H PHE 55 27.980 15.105 2.383 443 HA PHE 55 HA PHE 55 30.862 15.797 2.733 444 1HB PHE 55 2HB PHE 55 29.082 14.111 4.540 445 2HB PHE 55 1HB PHE 55 30.856 13.865 4.449 446 HD1 PHE 55 HD2 PHE 55 31.207 17.123 4.153 447 HD2 PHE 55 HD1 PHE 55 29.191 14.425 6.811 448 HE1 PHE 55 HE2 PHE 55 31.320 18.814 6.078 449 HE2 PHE 55 HE1 PHE 55 29.317 16.053 8.630 450 HZ PHE 55 HZ PHE 55 30.390 18.259 8.238 451 H ARG 56 H ARG 56 28.465 13.187 2.975 452 HA ARG 56 HA ARG 56 30.417 11.463 1.477 453 1HB ARG 56 2HB ARG 56 28.350 10.909 3.538 454 2HB ARG 56 1HB ARG 56 28.392 9.785 2.210 455 1HG ARG 56 2HG ARG 56 30.788 9.319 2.592 456 2HG ARG 56 1HG ARG 56 30.866 10.573 3.852 457 1HD ARG 56 2HD ARG 56 29.010 9.167 5.053 458 2HD ARG 56 1HD ARG 56 29.401 7.903 3.892 459 HE ARG 56 HE ARG 56 31.403 7.548 5.020 460 1HH1 ARG 56 1HH1 ARG 56 29.960 10.562 6.088 461 2HH1 ARG 56 2HH1 ARG 56 31.028 10.770 7.416 462 1HH2 ARG 56 1HH2 ARG 56 32.900 7.857 6.877 463 2HH2 ARG 56 2HH2 ARG 56 32.646 9.265 7.839 464 H ASN 57 H ASN 57 26.966 11.677 1.837 465 HA ASN 57 HA ASN 57 25.205 11.452 0.431 466 1HB ASN 57 2HB ASN 57 25.792 13.207 -0.926 467 2HB ASN 57 1HB ASN 57 27.315 12.453 -1.530 468 1HD2 ASN 57 1HD2 ASN 57 24.730 12.534 -4.201 469 2HD2 ASN 57 2HD2 ASN 57 25.598 13.682 -3.185 470 H ILE 58 H ILE 58 25.010 9.412 1.005 471 HA ILE 58 HA ILE 58 26.486 7.413 -0.674 472 HB ILE 58 HB ILE 58 27.168 7.220 1.563 473 1HG1 ILE 58 2HG1 ILE 58 25.087 5.010 1.321 474 2HG1 ILE 58 1HG1 ILE 58 26.399 5.122 0.122 475 1HG2 ILE 58 2HG2 ILE 58 24.719 8.183 2.432 476 2HG2 ILE 58 1HG2 ILE 58 24.586 6.459 2.829 477 3HG2 ILE 58 3HG2 ILE 58 25.954 7.433 3.424 478 1HD1 ILE 58 3HD1 ILE 58 27.970 5.347 2.324 479 2HD1 ILE 58 2HD1 ILE 58 26.590 4.581 3.090 480 3HD1 ILE 58 1HD1 ILE 58 27.462 3.749 1.773 481 H ASP 59 H ASP 59 23.442 8.155 0.925 482 HA ASP 59 HA ASP 59 21.285 7.561 0.508 483 1HB ASP 59 2HB ASP 59 22.130 7.479 -2.050 484 2HB ASP 59 1HB ASP 59 22.278 5.760 -1.713 485 H VAL 60 H VAL 60 20.221 5.984 1.701 486 HA VAL 60 HA VAL 60 21.618 3.319 1.878 487 HB VAL 60 HB VAL 60 19.738 4.506 3.879 488 1HG1 VAL 60 2HG1 VAL 60 20.756 1.951 3.772 489 2HG1 VAL 60 1HG1 VAL 60 22.079 2.759 4.618 490 3HG1 VAL 60 3HG1 VAL 60 20.439 2.820 5.291 491 1HG2 VAL 60 1HG2 VAL 60 22.562 5.352 3.374 492 2HG2 VAL 60 3HG2 VAL 60 21.286 6.149 4.350 493 3HG2 VAL 60 2HG2 VAL 60 22.229 4.852 5.051 494 H VAL 61 H VAL 61 20.431 1.510 1.649 495 HA VAL 61 HA VAL 61 17.473 1.603 1.530 496 HB VAL 61 HB VAL 61 17.583 2.243 -0.726 497 1HG1 VAL 61 3HG1 VAL 61 20.474 1.304 -0.627 498 2HG1 VAL 61 2HG1 VAL 61 19.683 1.665 -2.181 499 3HG1 VAL 61 1HG1 VAL 61 19.785 2.910 -0.932 500 1HG2 VAL 61 3HG2 VAL 61 17.099 -0.453 -0.570 501 2HG2 VAL 61 2HG2 VAL 61 17.274 0.438 -2.120 502 3HG2 VAL 61 1HG2 VAL 61 18.632 -0.477 -1.452 503 H PHE 62 H PHE 62 16.947 -0.323 2.474 504 HA PHE 62 HA PHE 62 18.496 -2.583 1.396 505 1HB PHE 62 2HB PHE 62 18.256 -3.371 4.079 506 2HB PHE 62 1HB PHE 62 19.710 -2.918 3.215 507 HD1 PHE 62 HD1 PHE 62 16.788 -0.877 4.599 508 HD2 PHE 62 HD2 PHE 62 21.035 -1.483 4.460 509 HE1 PHE 62 HE1 PHE 62 17.075 1.105 6.049 510 HE2 PHE 62 HE2 PHE 62 21.327 0.470 5.886 511 HZ PHE 62 HZ PHE 62 19.382 1.772 6.690 512 H GLU 63 H GLU 63 16.447 -2.764 4.249 513 HA GLU 63 HA GLU 63 14.069 -3.670 2.722 514 1HB GLU 63 2HB GLU 63 15.850 -5.657 4.163 515 2HB GLU 63 1HB GLU 63 14.040 -5.892 4.127 516 1HG GLU 63 2HG GLU 63 14.507 -5.479 1.454 517 2HG GLU 63 1HG GLU 63 16.059 -6.137 1.877 518 H LEU 64 H LEU 64 15.008 -1.574 4.488 519 HA LEU 64 HA LEU 64 13.475 -0.392 5.921 520 1HB LEU 64 2HB LEU 64 13.087 -3.096 7.331 521 2HB LEU 64 1HB LEU 64 12.944 -1.557 8.110 522 HG LEU 64 HG LEU 64 11.394 -1.050 5.978 523 1HD1 LEU 64 1HD1 LEU 64 10.849 -3.953 6.820 524 2HD1 LEU 64 3HD1 LEU 64 9.675 -2.967 5.946 525 3HD1 LEU 64 2HD1 LEU 64 11.206 -3.396 5.145 526 1HD2 LEU 64 2HD2 LEU 64 11.004 -0.970 8.718 527 2HD2 LEU 64 1HD2 LEU 64 9.616 -0.855 7.611 528 3HD2 LEU 64 3HD2 LEU 64 10.018 -2.403 8.311 529 H GLY 65 H GLY 65 15.959 -2.832 6.843 530 1HA GLY 65 1HA GLY 65 17.351 -0.616 8.119 531 2HA GLY 65 2HA GLY 65 16.863 -1.836 9.237 532 H VAL 66 H VAL 66 17.636 -3.954 9.183 533 HA VAL 66 HA VAL 66 19.023 -5.697 8.722 534 HB VAL 66 HB VAL 66 20.171 -4.168 6.419 535 1HG1 VAL 66 2HG1 VAL 66 20.223 -6.915 7.410 536 2HG1 VAL 66 1HG1 VAL 66 19.594 -6.870 5.734 537 3HG1 VAL 66 3HG1 VAL 66 21.175 -6.156 6.093 538 1HG2 VAL 66 2HG2 VAL 66 17.400 -5.238 6.968 539 2HG2 VAL 66 1HG2 VAL 66 17.843 -3.933 5.901 540 3HG2 VAL 66 3HG2 VAL 66 18.054 -5.598 5.338 541 H ASP 67 H ASP 67 20.066 -5.188 10.691 542 HA ASP 67 HA ASP 67 21.793 -3.515 11.635 543 1HB ASP 67 2HB ASP 67 22.247 -6.428 11.866 544 2HB ASP 67 1HB ASP 67 22.887 -5.165 12.892 545 H PHE 68 H PHE 68 23.765 -2.822 11.666 546 HA PHE 68 HA PHE 68 25.658 -3.913 9.525 547 1HB PHE 68 2HB PHE 68 25.012 -1.056 10.080 548 2HB PHE 68 1HB PHE 68 26.521 -1.588 9.341 549 HD1 PHE 68 HD1 PHE 68 25.099 -4.017 7.748 550 HD2 PHE 68 HD2 PHE 68 24.287 0.224 8.025 551 HE1 PHE 68 HE1 PHE 68 24.025 -4.029 5.621 552 HE2 PHE 68 HE2 PHE 68 23.198 0.160 5.808 553 HZ PHE 68 HZ PHE 68 23.082 -2.066 4.597 554 H ALA 69 H ALA 69 26.007 -1.299 11.898 555 HA ALA 69 HA ALA 69 27.304 -1.222 13.872 556 1HB ALA 69 1HB ALA 69 27.367 -3.749 13.882 557 2HB ALA 69 3HB ALA 69 28.913 -3.623 12.978 558 3HB ALA 69 2HB ALA 69 28.750 -2.860 14.587 559 H TYR 70 H TYR 70 27.485 0.322 11.787 560 HA TYR 70 HA TYR 70 30.388 0.474 11.073 561 1HB TYR 70 2HB TYR 70 29.821 1.299 8.946 562 2HB TYR 70 1HB TYR 70 28.529 0.105 9.243 563 HD1 TYR 70 HD2 TYR 70 26.289 1.419 10.556 564 HD2 TYR 70 HD1 TYR 70 29.161 3.285 8.007 565 HE1 TYR 70 HE2 TYR 70 24.725 3.208 10.085 566 HE2 TYR 70 HE1 TYR 70 27.570 5.127 7.506 567 HH TYR 70 HH TYR 70 25.061 5.405 7.575 568 H SER 71 H SER 71 28.057 1.803 12.952 569 HA SER 71 HA SER 71 28.299 3.533 14.487 570 1HB SER 71 2HB SER 71 29.956 4.945 14.482 571 2HB SER 71 1HB SER 71 30.700 3.916 13.306 572 HG SER 71 HG SER 71 30.446 5.393 11.868 573 H LEU 72 H LEU 72 27.991 6.082 14.208 574 HA LEU 72 HA LEU 72 25.724 6.319 12.272 575 1HB LEU 72 2HB LEU 72 24.892 6.394 14.542 576 2HB LEU 72 1HB LEU 72 26.251 7.316 15.153 577 HG LEU 72 HG LEU 72 23.861 8.313 14.719 578 1HD1 LEU 72 3HD1 LEU 72 26.180 9.356 15.479 579 2HD1 LEU 72 2HD1 LEU 72 25.929 10.345 14.008 580 3HD1 LEU 72 1HD1 LEU 72 24.690 10.277 15.304 581 1HD2 LEU 72 2HD2 LEU 72 24.440 7.792 12.044 582 2HD2 LEU 72 1HD2 LEU 72 23.430 9.175 12.483 583 3HD2 LEU 72 3HD2 LEU 72 25.151 9.385 12.154 584 H ALA 73 H ALA 73 27.309 6.743 10.805 585 HA ALA 73 HA ALA 73 28.478 8.090 9.345 586 1HB ALA 73 3HB ALA 73 27.091 10.100 11.004 587 2HB ALA 73 2HB ALA 73 28.397 10.646 9.872 588 3HB ALA 73 1HB ALA 73 27.011 9.744 9.252 589 H ASP 74 H ASP 74 29.533 7.550 12.490 590 HA ASP 74 HA ASP 74 32.254 7.918 11.913 591 1HB ASP 74 2HB ASP 74 31.311 10.416 12.262 592 2HB ASP 74 1HB ASP 74 32.275 9.896 13.689 593 H GLY 75 H GLY 75 30.648 9.121 14.785 594 1HA GLY 75 1HA GLY 75 31.494 8.560 17.032 595 2HA GLY 75 2HA GLY 75 30.035 7.701 16.739 596 H THR 76 H THR 76 30.229 5.289 16.316 597 HA THR 76 HA THR 76 32.973 4.234 16.430 598 HB THR 76 HB THR 76 32.380 4.833 18.793 599 HG1 THR 76 1HG THR 76 33.691 3.069 17.790 600 1HG2 THR 76 2HG2 THR 76 29.905 3.986 18.608 601 2HG2 THR 76 1HG2 THR 76 30.601 2.333 18.488 602 3HG2 THR 76 3HG2 THR 76 30.751 3.229 19.972 603 H GLU 77 H GLU 77 29.415 3.493 16.651 604 HA GLU 77 HA GLU 77 29.598 1.293 14.725 605 1HB GLU 77 2HB GLU 77 29.740 0.843 17.670 606 2HB GLU 77 1HB GLU 77 28.609 -0.165 16.886 607 1HG GLU 77 2HG GLU 77 30.307 -1.572 16.020 608 2HG GLU 77 1HG GLU 77 31.184 -0.171 15.334 609 H LEU 78 H LEU 78 27.399 0.611 14.197 610 HA LEU 78 HA LEU 78 25.284 1.211 16.118 611 1HB LEU 78 2HB LEU 78 25.936 2.846 13.794 612 2HB LEU 78 1HB LEU 78 24.574 1.901 13.188 613 HG LEU 78 HG LEU 78 24.580 4.016 15.350 614 1HD1 LEU 78 2HD1 LEU 78 24.499 4.520 12.930 615 2HD1 LEU 78 1HD1 LEU 78 22.885 3.823 12.833 616 3HD1 LEU 78 3HD1 LEU 78 23.200 5.199 13.944 617 1HD2 LEU 78 2HD2 LEU 78 22.604 1.762 14.588 618 2HD2 LEU 78 1HD2 LEU 78 22.827 2.433 16.203 619 3HD2 LEU 78 3HD2 LEU 78 21.900 3.342 14.954 620 H THR 79 H THR 79 25.595 -0.944 16.207 621 HA THR 79 HA THR 79 25.601 -3.029 14.344 622 HB THR 79 HB THR 79 24.435 -2.825 17.069 623 HG1 THR 79 1HG THR 79 26.523 -2.856 16.926 624 1HG2 THR 79 1HG2 THR 79 24.021 -5.270 15.316 625 2HG2 THR 79 3HG2 THR 79 24.261 -5.382 17.099 626 3HG2 THR 79 2HG2 THR 79 22.930 -4.449 16.463 627 H GLY 80 H GLY 80 22.696 -2.005 16.264 628 1HA GLY 80 1HA GLY 80 20.903 -3.295 14.426 629 2HA GLY 80 2HA GLY 80 20.392 -1.965 15.554 630 H THR 81 H THR 81 19.223 -2.046 13.246 631 HA THR 81 HA THR 81 20.708 0.094 11.686 632 HB THR 81 HB THR 81 18.780 -1.153 10.002 633 HG1 THR 81 1HG THR 81 19.921 -3.180 11.526 634 1HG2 THR 81 3HG2 THR 81 21.336 -0.582 9.856 635 2HG2 THR 81 2HG2 THR 81 21.584 -2.279 10.177 636 3HG2 THR 81 1HG2 THR 81 20.535 -1.780 8.800 637 H TRP 82 H TRP 82 17.343 -1.046 11.232 638 HA TRP 82 HA TRP 82 16.084 1.172 12.295 639 1HB TRP 82 2HB TRP 82 15.586 1.562 9.417 640 2HB TRP 82 1HB TRP 82 15.702 2.691 10.703 641 HD1 TRP 82 HD1 TRP 82 18.757 0.734 9.086 642 HE1 TRP 82 HE1 TRP 82 20.481 2.539 8.396 643 HE3 TRP 82 HE3 TRP 82 16.184 4.913 10.395 644 HZ2 TRP 82 HZ2 TRP 82 20.687 5.342 8.423 645 HZ3 TRP 82 HZ3 TRP 82 17.119 7.087 10.074 646 HH2 TRP 82 HH2 TRP 82 19.463 7.333 9.054 647 H THR 83 H THR 83 13.984 1.506 11.005 648 HA THR 83 HA THR 83 12.669 -0.108 9.308 649 HB THR 83 HB THR 83 11.322 -1.553 10.915 650 HG1 THR 83 1HG THR 83 13.090 -2.515 12.422 651 1HG2 THR 83 2HG2 THR 83 13.960 -2.625 9.714 652 2HG2 THR 83 1HG2 THR 83 12.876 -3.633 10.744 653 3HG2 THR 83 3HG2 THR 83 12.314 -2.948 9.247 654 H MET 84 H MET 84 10.863 0.886 9.186 655 HA MET 84 HA MET 84 9.945 2.393 11.585 656 1HB MET 84 2HB MET 84 8.416 3.471 9.747 657 2HB MET 84 1HB MET 84 9.993 3.425 9.135 658 1HG MET 84 2HG MET 84 9.783 1.585 7.793 659 2HG MET 84 1HG MET 84 8.434 0.980 8.647 660 1HE MET 84 2HE MET 84 8.503 1.051 5.540 661 2HE MET 84 1HE MET 84 6.882 0.615 6.173 662 3HE MET 84 3HE MET 84 7.070 1.867 4.887 663 H GLU 85 H GLU 85 7.081 2.156 10.657 664 HA GLU 85 HA GLU 85 6.608 -0.763 10.752 665 1HB GLU 85 2HB GLU 85 7.295 0.201 13.051 666 2HB GLU 85 1HB GLU 85 5.597 0.832 13.036 667 1HG GLU 85 2HG GLU 85 4.842 -1.632 12.664 668 2HG GLU 85 1HG GLU 85 6.465 -2.115 12.606 669 H GLY 86 H GLY 86 5.937 1.754 9.175 670 1HA GLY 86 1HA GLY 86 4.013 2.020 7.839 671 2HA GLY 86 2HA GLY 86 3.024 1.312 9.275 672 H ASN 87 H ASN 87 3.779 2.678 11.367 673 HA ASN 87 HA ASN 87 3.005 5.432 10.628 674 1HB ASN 87 2HB ASN 87 1.513 4.197 11.687 675 2HB ASN 87 1HB ASN 87 2.495 4.529 13.211 676 1HD2 ASN 87 2HD2 ASN 87 1.722 7.950 13.325 677 2HD2 ASN 87 1HD2 ASN 87 2.574 6.606 14.041 678 H LYS 88 H LYS 88 6.029 4.100 11.063 679 HA LYS 88 HA LYS 88 7.401 6.465 11.571 680 1HB LYS 88 2HB LYS 88 8.190 6.077 13.909 681 2HB LYS 88 1HB LYS 88 6.658 6.772 13.809 682 1HG LYS 88 2HG LYS 88 5.617 4.412 14.228 683 2HG LYS 88 1HG LYS 88 7.265 3.946 14.697 684 1HD LYS 88 2HD LYS 88 6.110 6.564 15.631 685 2HD LYS 88 1HD LYS 88 5.665 5.120 16.518 686 1HE LYS 88 2HE LYS 88 7.915 4.874 17.355 687 2HE LYS 88 1HE LYS 88 8.606 5.487 15.874 688 1HZ LYS 88 2HZ LYS 88 7.125 7.456 17.309 689 2HZ LYS 88 1HZ LYS 88 8.201 6.704 18.324 690 3HZ LYS 88 3HZ LYS 88 8.795 7.462 16.936 691 H LEU 89 H LEU 89 9.250 6.195 11.154 692 HA LEU 89 HA LEU 89 10.810 3.802 10.650 693 1HB LEU 89 2HB LEU 89 11.096 6.738 10.539 694 2HB LEU 89 1HB LEU 89 12.367 5.969 11.376 695 HG LEU 89 HG LEU 89 11.588 5.508 8.466 696 1HD1 LEU 89 3HD1 LEU 89 13.586 7.061 9.970 697 2HD1 LEU 89 2HD1 LEU 89 14.385 5.996 8.774 698 3HD1 LEU 89 1HD1 LEU 89 13.124 7.147 8.285 699 1HD2 LEU 89 2HD2 LEU 89 12.570 3.356 10.066 700 2HD2 LEU 89 1HD2 LEU 89 13.107 3.536 8.418 701 3HD2 LEU 89 3HD2 LEU 89 14.098 4.174 9.716 702 H VAL 90 H VAL 90 12.962 3.900 11.899 703 HA VAL 90 HA VAL 90 12.934 4.540 14.730 704 HB VAL 90 HB VAL 90 13.318 1.664 14.112 705 1HG1 VAL 90 3HG1 VAL 90 13.285 3.363 16.462 706 2HG1 VAL 90 2HG1 VAL 90 12.127 2.060 16.730 707 3HG1 VAL 90 1HG1 VAL 90 13.770 1.632 16.344 708 1HG2 VAL 90 3HG2 VAL 90 10.689 2.333 13.626 709 2HG2 VAL 90 2HG2 VAL 90 10.973 1.088 14.827 710 3HG2 VAL 90 1HG2 VAL 90 10.635 2.783 15.308 711 H GLY 91 H GLY 91 14.830 5.526 14.056 712 1HA GLY 91 1HA GLY 91 16.771 4.828 12.264 713 2HA GLY 91 2HA GLY 91 17.023 5.840 13.688 714 H LYS 92 H LYS 92 16.068 3.304 15.141 715 HA LYS 92 HA LYS 92 17.049 1.839 16.522 716 1HB LYS 92 2HB LYS 92 17.338 0.943 13.692 717 2HB LYS 92 1HB LYS 92 17.890 -0.160 14.923 718 1HG LYS 92 2HG LYS 92 15.207 1.296 15.125 719 2HG LYS 92 1HG LYS 92 15.265 -0.264 14.356 720 1HD LYS 92 2HD LYS 92 16.746 -0.495 16.849 721 2HD LYS 92 1HD LYS 92 15.397 0.577 17.160 722 1HE LYS 92 2HE LYS 92 14.941 -2.090 15.629 723 2HE LYS 92 1HE LYS 92 14.864 -2.005 17.423 724 1HZ LYS 92 3HZ LYS 92 13.274 -0.285 15.686 725 2HZ LYS 92 2HZ LYS 92 12.795 -1.839 16.163 726 3HZ LYS 92 1HZ LYS 92 13.027 -0.643 17.308 727 H PHE 93 H PHE 93 19.022 0.133 16.417 728 HA PHE 93 HA PHE 93 21.714 0.888 16.045 729 1HB PHE 93 2HB PHE 93 21.861 2.005 18.474 730 2HB PHE 93 1HB PHE 93 21.236 3.013 17.250 731 HD1 PHE 93 HD1 PHE 93 19.988 0.171 19.634 732 HD2 PHE 93 HD2 PHE 93 19.243 3.958 17.767 733 HE1 PHE 93 HE1 PHE 93 17.875 0.203 20.779 734 HE2 PHE 93 HE2 PHE 93 17.109 4.020 18.953 735 HZ PHE 93 HZ PHE 93 16.368 2.125 20.455 736 H LYS 94 H LYS 94 22.718 0.697 18.248 737 HA LYS 94 HA LYS 94 22.409 0.032 20.541 738 1HB LYS 94 2HB LYS 94 21.466 -2.429 19.176 739 2HB LYS 94 1HB LYS 94 22.932 -2.772 20.302 740 1HG LYS 94 2HG LYS 94 22.040 -1.296 21.935 741 2HG LYS 94 1HG LYS 94 20.666 -0.918 21.089 742 1HD LYS 94 2HD LYS 94 20.016 -3.485 21.133 743 2HD LYS 94 1HD LYS 94 21.335 -3.687 22.255 744 1HE LYS 94 2HE LYS 94 20.198 -1.784 23.597 745 2HE LYS 94 1HE LYS 94 18.735 -2.174 22.600 746 1HZ LYS 94 3HZ LYS 94 19.101 -4.486 23.333 747 2HZ LYS 94 2HZ LYS 94 20.335 -3.942 24.360 748 3HZ LYS 94 1HZ LYS 94 18.750 -3.398 24.604 749 H ARG 95 H ARG 95 24.134 1.212 19.937 750 HA ARG 95 HA ARG 95 26.223 0.400 18.261 751 1HB ARG 95 2HB ARG 95 27.105 1.824 20.692 752 2HB ARG 95 1HB ARG 95 27.414 2.273 19.001 753 1HG ARG 95 2HG ARG 95 24.953 2.714 20.785 754 2HG ARG 95 1HG ARG 95 26.159 3.930 20.406 755 1HD ARG 95 2HD ARG 95 23.813 2.806 18.882 756 2HD ARG 95 1HD ARG 95 24.250 4.430 19.200 757 HE ARG 95 HE ARG 95 24.929 2.961 16.826 758 1HH1 ARG 95 2HH1 ARG 95 26.356 5.281 19.095 759 2HH1 ARG 95 1HH1 ARG 95 27.425 6.063 17.961 760 1HH2 ARG 95 2HH2 ARG 95 26.449 4.072 15.265 761 2HH2 ARG 95 1HH2 ARG 95 27.444 5.355 15.871 762 H VAL 96 H VAL 96 28.470 0.827 19.826 763 HA VAL 96 HA VAL 96 28.819 -1.711 21.369 764 HB VAL 96 HB VAL 96 30.281 -0.146 19.259 765 1HG1 VAL 96 3HG1 VAL 96 31.732 -0.846 21.586 766 2HG1 VAL 96 2HG1 VAL 96 31.856 -2.268 20.590 767 3HG1 VAL 96 1HG1 VAL 96 32.391 -0.683 19.918 768 1HG2 VAL 96 3HG2 VAL 96 28.752 -2.525 19.284 769 2HG2 VAL 96 2HG2 VAL 96 29.932 -2.068 18.018 770 3HG2 VAL 96 1HG2 VAL 96 30.392 -3.099 19.382 771 H ASP 97 H ASP 97 29.634 1.830 20.946 772 HA ASP 97 HA ASP 97 31.284 2.144 23.112 773 1HB ASP 97 2HB ASP 97 30.972 3.889 21.725 774 2HB ASP 97 1HB ASP 97 29.250 4.000 22.012 775 H ASN 98 H ASN 98 27.910 1.501 22.980 776 HA ASN 98 HA ASN 98 27.711 0.578 25.624 777 1HB ASN 98 2HB ASN 98 28.004 2.351 26.674 778 2HB ASN 98 1HB ASN 98 27.429 3.370 25.398 779 1HD2 ASN 98 1HD2 ASN 98 25.025 2.006 28.480 780 2HD2 ASN 98 2HD2 ASN 98 26.599 1.312 28.128 781 H GLY 99 H GLY 99 26.240 0.696 22.520 782 1HA GLY 99 1HA GLY 99 24.373 -0.532 21.872 783 2HA GLY 99 2HA GLY 99 23.957 -0.837 23.491 784 H LYS 100 H LYS 100 24.643 2.422 22.590 785 HA LYS 100 HA LYS 100 22.477 3.823 23.561 786 1HB LYS 100 2HB LYS 100 24.158 4.356 21.249 787 2HB LYS 100 1HB LYS 100 22.563 5.007 21.150 788 1HG LYS 100 2HG LYS 100 23.920 6.666 22.429 789 2HG LYS 100 1HG LYS 100 23.008 5.775 23.709 790 1HD LYS 100 2HD LYS 100 24.894 4.838 24.474 791 2HD LYS 100 1HD LYS 100 25.386 4.257 22.970 792 1HE LYS 100 2HE LYS 100 26.927 5.994 24.278 793 2HE LYS 100 1HE LYS 100 26.868 5.972 22.519 794 1HZ LYS 100 3HZ LYS 100 24.874 7.631 23.767 795 2HZ LYS 100 2HZ LYS 100 26.495 8.068 23.993 796 3HZ LYS 100 1HZ LYS 100 25.871 7.928 22.433 797 H GLU 101 H GLU 101 20.744 4.866 22.584 798 HA GLU 101 HA GLU 101 19.408 3.123 20.571 799 1HB GLU 101 2HB GLU 101 18.186 3.923 23.157 800 2HB GLU 101 1HB GLU 101 17.249 3.315 21.896 801 1HG GLU 101 2HG GLU 101 17.950 1.115 22.487 802 2HG GLU 101 1HG GLU 101 19.520 1.503 22.020 803 H LEU 102 H LEU 102 20.449 4.941 19.452 804 HA LEU 102 HA LEU 102 19.707 7.568 19.102 805 1HB LEU 102 2HB LEU 102 20.075 5.382 16.933 806 2HB LEU 102 1HB LEU 102 19.962 7.135 16.661 807 HG LEU 102 HG LEU 102 21.877 6.341 18.768 808 1HD1 LEU 102 3HD1 LEU 102 21.803 4.773 16.294 809 2HD1 LEU 102 2HD1 LEU 102 23.409 5.388 16.662 810 3HD1 LEU 102 1HD1 LEU 102 22.538 4.333 17.835 811 1HD2 LEU 102 1HD2 LEU 102 21.527 8.166 16.367 812 2HD2 LEU 102 3HD2 LEU 102 22.614 8.386 17.719 813 3HD2 LEU 102 2HD2 LEU 102 23.075 7.370 16.302 814 H ILE 103 H ILE 103 18.249 5.030 16.950 815 HA ILE 103 HA ILE 103 16.327 4.206 16.758 816 HB ILE 103 HB ILE 103 15.973 5.746 19.254 817 1HG1 ILE 103 2HG1 ILE 103 15.531 3.697 19.875 818 2HG1 ILE 103 1HG1 ILE 103 13.926 4.114 19.345 819 1HG2 ILE 103 3HG2 ILE 103 14.539 7.186 17.848 820 2HG2 ILE 103 2HG2 ILE 103 13.410 5.835 17.682 821 3HG2 ILE 103 1HG2 ILE 103 13.819 6.459 19.323 822 1HD1 ILE 103 1HD1 ILE 103 15.071 3.014 17.043 823 2HD1 ILE 103 3HD1 ILE 103 15.746 2.032 18.322 824 3HD1 ILE 103 2HD1 ILE 103 14.013 2.188 18.246 825 H ALA 104 H ALA 104 17.494 7.040 15.977 826 HA ALA 104 HA ALA 104 16.328 8.971 14.956 827 1HB ALA 104 1HB ALA 104 18.339 7.510 13.872 828 2HB ALA 104 3HB ALA 104 17.199 7.417 12.543 829 3HB ALA 104 2HB ALA 104 17.674 9.014 13.101 830 H VAL 105 H VAL 105 14.038 7.978 15.443 831 HA VAL 105 HA VAL 105 12.708 6.546 13.176 832 HB VAL 105 HB VAL 105 11.644 5.831 15.036 833 1HG1 VAL 105 3HG1 VAL 105 12.727 7.431 16.721 834 2HG1 VAL 105 2HG1 VAL 105 11.296 8.495 16.456 835 3HG1 VAL 105 1HG1 VAL 105 11.098 6.861 17.019 836 1HG2 VAL 105 1HG2 VAL 105 10.009 8.380 14.304 837 2HG2 VAL 105 3HG2 VAL 105 9.917 6.771 13.507 838 3HG2 VAL 105 2HG2 VAL 105 9.450 7.005 15.210 839 H ARG 106 H ARG 106 12.152 7.988 11.442 840 HA ARG 106 HA ARG 106 12.015 10.902 11.536 841 1HB ARG 106 2HB ARG 106 11.932 8.738 9.665 842 2HB ARG 106 1HB ARG 106 10.541 9.833 9.380 843 1HG ARG 106 2HG ARG 106 11.695 11.173 8.336 844 2HG ARG 106 1HG ARG 106 12.431 11.722 9.763 845 1HD ARG 106 2HD ARG 106 13.624 9.718 7.772 846 2HD ARG 106 1HD ARG 106 14.295 11.298 8.385 847 HE ARG 106 HE ARG 106 13.826 8.993 10.254 848 1HH1 ARG 106 1HH2 ARG 106 16.155 11.198 8.677 849 2HH1 ARG 106 2HH2 ARG 106 17.417 10.672 9.762 850 1HH2 ARG 106 2HH1 ARG 106 15.556 8.460 11.528 851 2HH2 ARG 106 1HH1 ARG 106 17.140 9.208 11.294 852 H GLU 107 H GLU 107 10.181 8.075 12.147 853 HA GLU 107 HA GLU 107 8.092 7.565 12.746 854 1HB GLU 107 2HB GLU 107 8.595 10.410 13.554 855 2HB GLU 107 1HB GLU 107 6.838 10.047 13.419 856 1HG GLU 107 2HG GLU 107 7.808 7.883 14.898 857 2HG GLU 107 1HG GLU 107 8.706 9.124 15.544 858 H ILE 108 H ILE 108 7.888 10.918 11.807 859 HA ILE 108 HA ILE 108 7.114 12.159 10.183 860 HB ILE 108 HB ILE 108 7.884 10.017 8.735 861 1HG1 ILE 108 2HG1 ILE 108 6.035 12.009 7.587 862 2HG1 ILE 108 1HG1 ILE 108 7.575 12.483 8.363 863 1HG2 ILE 108 1HG2 ILE 108 4.854 10.418 8.206 864 2HG2 ILE 108 3HG2 ILE 108 5.909 9.487 7.197 865 3HG2 ILE 108 2HG2 ILE 108 5.441 8.866 8.826 866 1HD1 ILE 108 1HD1 ILE 108 8.725 10.750 6.838 867 2HD1 ILE 108 3HD1 ILE 108 7.244 10.577 5.943 868 3HD1 ILE 108 2HD1 ILE 108 8.044 12.140 5.912 869 H SER 109 H SER 109 5.453 13.157 10.868 870 HA SER 109 HA SER 109 2.904 12.162 10.100 871 1HB SER 109 2HB SER 109 3.076 10.848 12.204 872 2HB SER 109 1HB SER 109 3.737 12.251 13.022 873 HG SER 109 HG SER 109 1.761 12.845 13.496 874 H GLY 110 H GLY 110 1.530 13.672 9.769 875 1HA GLY 110 1HA GLY 110 0.627 15.817 9.525 876 2HA GLY 110 2HA GLY 110 1.615 16.294 11.004 877 H ASN 111 H ASN 111 2.427 18.339 9.655 878 HA ASN 111 HA ASN 111 4.013 17.611 7.321 879 1HB ASN 111 2HB ASN 111 5.326 19.726 7.784 880 2HB ASN 111 1HB ASN 111 3.700 19.720 7.067 881 1HD2 ASN 111 1HD2 ASN 111 3.730 20.906 11.017 882 2HD2 ASN 111 2HD2 ASN 111 4.539 19.427 10.600 883 H GLU 112 H GLU 112 6.298 16.722 7.516 884 HA GLU 112 HA GLU 112 7.533 16.854 10.181 885 1HB GLU 112 2HB GLU 112 7.026 14.290 10.486 886 2HB GLU 112 1HB GLU 112 5.676 15.358 10.757 887 1HG GLU 112 2HG GLU 112 5.968 13.124 9.095 888 2HG GLU 112 1HG GLU 112 4.592 14.030 9.277 889 H LEU 113 H LEU 113 8.711 14.938 10.654 890 HA LEU 113 HA LEU 113 9.703 12.773 9.506 891 1HB LEU 113 2HB LEU 113 11.596 15.039 8.758 892 2HB LEU 113 1HB LEU 113 11.973 13.330 8.891 893 HG LEU 113 HG LEU 113 10.234 14.493 6.666 894 1HD1 LEU 113 2HD1 LEU 113 13.107 14.054 7.134 895 2HD1 LEU 113 1HD1 LEU 113 12.593 12.878 5.962 896 3HD1 LEU 113 3HD1 LEU 113 12.341 14.639 5.686 897 1HD2 LEU 113 2HD2 LEU 113 9.910 11.961 7.676 898 2HD2 LEU 113 1HD2 LEU 113 9.865 12.333 5.914 899 3HD2 LEU 113 3HD2 LEU 113 11.310 11.650 6.588 900 H ILE 114 H ILE 114 9.471 12.689 11.585 901 HA ILE 114 HA ILE 114 10.676 14.501 13.517 902 HB ILE 114 HB ILE 114 9.403 11.979 14.432 903 1HG1 ILE 114 2HG1 ILE 114 8.001 12.738 12.196 904 2HG1 ILE 114 1HG1 ILE 114 7.424 11.895 13.547 905 1HG2 ILE 114 1HG2 ILE 114 10.230 14.101 15.551 906 2HG2 ILE 114 3HG2 ILE 114 8.555 14.617 15.384 907 3HG2 ILE 114 2HG2 ILE 114 8.884 13.102 16.181 908 1HD1 ILE 114 3HD1 ILE 114 7.348 15.007 13.547 909 2HD1 ILE 114 2HD1 ILE 114 6.350 14.112 12.444 910 3HD1 ILE 114 1HD1 ILE 114 6.081 13.870 14.144 911 H GLN 115 H GLN 115 12.567 12.922 12.015 912 HA GLN 115 HA GLN 115 14.100 11.054 12.490 913 1HB GLN 115 2HB GLN 115 14.659 13.806 13.719 914 2HB GLN 115 1HB GLN 115 15.924 12.670 13.232 915 1HG GLN 115 2HG GLN 115 14.048 13.311 11.008 916 2HG GLN 115 1HG GLN 115 14.954 14.720 11.604 917 1HE2 GLN 115 2HE2 GLN 115 16.895 12.887 8.988 918 2HE2 GLN 115 1HE2 GLN 115 15.245 13.436 9.023 919 H THR 116 H THR 116 13.136 12.829 15.457 920 HA THR 116 HA THR 116 13.534 12.228 17.646 921 HB THR 116 HB THR 116 11.734 10.326 16.224 922 HG1 THR 116 1HG THR 116 10.243 11.649 17.394 923 1HG2 THR 116 2HG2 THR 116 12.601 10.227 19.190 924 2HG2 THR 116 1HG2 THR 116 10.828 10.407 18.957 925 3HG2 THR 116 3HG2 THR 116 11.684 9.033 18.301 926 H TYR 117 H TYR 117 15.882 11.585 17.149 927 HA TYR 117 HA TYR 117 15.995 8.677 17.752 928 1HB TYR 117 2HB TYR 117 18.691 9.708 17.997 929 2HB TYR 117 1HB TYR 117 18.143 8.637 16.908 930 HD1 TYR 117 HD2 TYR 117 17.783 12.430 16.862 931 HD2 TYR 117 HD1 TYR 117 19.083 8.923 14.880 932 HE1 TYR 117 HE2 TYR 117 18.519 13.753 14.826 933 HE2 TYR 117 HE1 TYR 117 19.804 10.148 12.913 934 HH TYR 117 HH TYR 117 20.571 12.739 12.544 935 H THR 118 H THR 118 15.630 8.271 19.628 936 HA THR 118 HA THR 118 16.407 9.964 21.850 937 HB THR 118 HB THR 118 14.811 7.468 22.199 938 HG1 THR 118 1HG THR 118 13.537 9.800 21.678 939 1HG2 THR 118 1HG2 THR 118 15.816 9.531 23.890 940 2HG2 THR 118 3HG2 THR 118 14.369 10.310 23.312 941 3HG2 THR 118 2HG2 THR 118 14.217 8.780 24.252 942 H TYR 119 H TYR 119 18.772 8.892 21.149 943 HA TYR 119 HA TYR 119 19.603 6.262 21.948 944 1HB TYR 119 2HB TYR 119 21.778 7.054 21.828 945 2HB TYR 119 1HB TYR 119 20.840 7.893 20.604 946 HD1 TYR 119 HD1 TYR 119 19.907 10.375 21.361 947 HD2 TYR 119 HD2 TYR 119 22.940 8.160 23.475 948 HE1 TYR 119 HE1 TYR 119 20.600 12.393 22.524 949 HE2 TYR 119 HE2 TYR 119 23.642 10.126 24.647 950 HH TYR 119 HH TYR 119 22.040 13.259 23.910 951 H GLU 120 H GLU 120 18.388 8.767 24.048 952 HA GLU 120 HA GLU 120 19.086 6.973 26.193 953 1HB GLU 120 2HB GLU 120 21.165 7.379 26.516 954 2HB GLU 120 1HB GLU 120 21.175 8.546 25.196 955 1HG GLU 120 2HG GLU 120 21.900 10.010 26.702 956 2HG GLU 120 1HG GLU 120 20.198 10.284 26.872 957 H GLY 121 H GLY 121 16.880 8.803 25.206 958 1HA GLY 121 1HA GLY 121 15.152 9.613 26.536 959 2HA GLY 121 2HA GLY 121 16.155 9.920 27.826 960 H VAL 122 H VAL 122 17.282 10.807 24.674 961 HA VAL 122 HA VAL 122 17.046 13.725 25.257 962 HB VAL 122 HB VAL 122 18.844 12.086 23.432 963 1HG1 VAL 122 3HG1 VAL 122 18.339 15.001 23.646 964 2HG1 VAL 122 2HG1 VAL 122 20.066 14.577 23.662 965 3HG1 VAL 122 1HG1 VAL 122 19.026 14.117 22.295 966 1HG2 VAL 122 1HG2 VAL 122 18.991 13.219 26.236 967 2HG2 VAL 122 3HG2 VAL 122 19.816 11.792 25.551 968 3HG2 VAL 122 2HG2 VAL 122 20.493 13.384 25.281 969 H GLU 123 H GLU 123 17.226 11.621 22.353 970 HA GLU 123 HA GLU 123 15.997 11.584 20.314 971 1HB GLU 123 2HB GLU 123 13.878 12.166 22.024 972 2HB GLU 123 1HB GLU 123 14.173 13.793 21.541 973 1HG GLU 123 2HG GLU 123 14.164 13.169 19.147 974 2HG GLU 123 1HG GLU 123 13.862 11.597 19.517 975 H ALA 124 H ALA 124 16.718 12.503 18.627 976 HA ALA 124 HA ALA 124 16.972 15.457 18.819 977 1HB ALA 124 1HB ALA 124 19.071 13.478 17.830 978 2HB ALA 124 3HB ALA 124 18.875 15.012 16.954 979 3HB ALA 124 2HB ALA 124 19.254 15.004 18.731 980 H LYS 125 H LYS 125 15.828 16.519 17.544 981 HA LYS 125 HA LYS 125 15.354 15.460 14.850 982 1HB LYS 125 2HB LYS 125 12.728 16.111 15.861 983 2HB LYS 125 1HB LYS 125 13.267 14.693 15.053 984 1HG LYS 125 2HG LYS 125 12.656 13.872 17.355 985 2HG LYS 125 1HG LYS 125 14.341 13.937 17.403 986 1HD LYS 125 2HD LYS 125 13.224 14.907 19.321 987 2HD LYS 125 1HD LYS 125 14.357 15.961 18.628 988 1HE LYS 125 2HE LYS 125 12.333 17.211 17.465 989 2HE LYS 125 1HE LYS 125 11.286 16.152 18.439 990 1HZ LYS 125 2HZ LYS 125 12.187 16.998 20.426 991 2HZ LYS 125 1HZ LYS 125 13.237 18.052 19.622 992 3HZ LYS 125 3HZ LYS 125 11.554 18.219 19.475 993 H ARG 126 H ARG 126 13.232 17.197 14.275 994 HA ARG 126 HA ARG 126 12.943 19.741 15.259 995 1HB ARG 126 2HB ARG 126 15.541 19.610 13.918 996 2HB ARG 126 1HB ARG 126 14.398 20.917 13.433 997 1HG ARG 126 2HG ARG 126 14.896 20.351 16.425 998 2HG ARG 126 1HG ARG 126 15.902 21.576 15.493 999 1HD ARG 126 2HD ARG 126 14.279 22.939 15.982 1000 2HD ARG 126 1HD ARG 126 13.428 22.061 14.614 1001 HE ARG 126 HE ARG 126 13.182 20.771 17.188 1002 1HH1 ARG 126 1HH1 ARG 126 11.756 23.516 15.373 1003 2HH1 ARG 126 2HH1 ARG 126 10.311 23.402 16.327 1004 1HH2 ARG 126 1HH2 ARG 126 11.180 20.767 18.354 1005 2HH2 ARG 126 2HH2 ARG 126 9.967 21.969 17.911 1006 H ILE 127 H ILE 127 14.204 18.011 12.515 1007 HA ILE 127 HA ILE 127 12.611 16.942 11.033 1008 HB ILE 127 HB ILE 127 11.163 19.587 11.152 1009 1HG1 ILE 127 2HG1 ILE 127 9.375 18.134 11.669 1010 2HG1 ILE 127 1HG1 ILE 127 10.220 16.720 11.023 1011 1HG2 ILE 127 3HG2 ILE 127 11.387 19.152 8.722 1012 2HG2 ILE 127 2HG2 ILE 127 10.555 17.598 9.070 1013 3HG2 ILE 127 1HG2 ILE 127 9.754 19.158 9.312 1014 1HD1 ILE 127 3HD1 ILE 127 11.848 16.767 12.997 1015 2HD1 ILE 127 2HD1 ILE 127 10.757 17.936 13.820 1016 3HD1 ILE 127 1HD1 ILE 127 10.217 16.334 13.432 1017 H PHE 128 H PHE 128 12.315 16.954 8.998 1018 HA PHE 128 HA PHE 128 14.393 17.118 7.308 1019 1HB PHE 128 2HB PHE 128 12.667 16.771 5.582 1020 2HB PHE 128 1HB PHE 128 11.955 16.053 6.978 1021 HD1 PHE 128 HD1 PHE 128 11.938 19.467 5.257 1022 HD2 PHE 128 HD2 PHE 128 9.853 16.639 7.536 1023 HE1 PHE 128 HE1 PHE 128 9.909 20.813 5.017 1024 HE2 PHE 128 HE2 PHE 128 7.756 17.979 7.307 1025 HZ PHE 128 HZ PHE 128 7.814 20.103 6.023 1026 H LYS 129 H LYS 129 14.692 17.938 5.508 1027 HA LYS 129 HA LYS 129 14.082 20.758 5.150 1028 1HB LYS 129 2HB LYS 129 16.487 20.263 5.905 1029 2HB LYS 129 1HB LYS 129 16.766 20.052 4.152 1030 1HG LYS 129 2HG LYS 129 15.037 22.370 5.225 1031 2HG LYS 129 1HG LYS 129 16.700 22.417 5.551 1032 1HD LYS 129 2HD LYS 129 17.138 23.104 3.366 1033 2HD LYS 129 1HD LYS 129 16.240 21.717 2.747 1034 1HE LYS 129 2HE LYS 129 14.089 22.855 2.868 1035 2HE LYS 129 1HE LYS 129 14.748 24.134 3.860 1036 1HZ LYS 129 2HZ LYS 129 16.106 24.215 1.450 1037 2HZ LYS 129 1HZ LYS 129 14.449 23.969 1.088 1038 3HZ LYS 129 3HZ LYS 129 14.957 25.287 2.046 1039 H LYS 130 H LYS 130 13.071 18.238 4.486 1040 HA LYS 130 HA LYS 130 12.642 17.052 2.290 1041 1HB LYS 130 2HB LYS 130 10.761 17.058 2.941 1042 2HB LYS 130 1HB LYS 130 10.666 18.801 3.462 1043 1HG LYS 130 2HG LYS 130 10.625 18.004 0.574 1044 2HG LYS 130 1HG LYS 130 9.305 17.493 1.516 1045 1HD LYS 130 2HD LYS 130 9.666 20.293 2.220 1046 2HD LYS 130 1HD LYS 130 9.890 20.262 0.513 1047 1HE LYS 130 2HE LYS 130 7.417 19.130 2.017 1048 2HE LYS 130 1HE LYS 130 7.490 20.663 1.173 1049 1HZ LYS 130 2HZ LYS 130 8.067 19.420 -0.855 1050 2HZ LYS 130 1HZ LYS 130 7.727 17.971 -0.092 1051 3HZ LYS 130 3HZ LYS 130 6.490 19.123 -0.251 1052 H GLU 131 H GLU 131 12.279 17.117 0.330 1053 HA GLU 131 HA GLU 131 12.735 19.644 -1.048 1054 1HB GLU 131 2HB GLU 131 14.773 18.538 -0.117 1055 2HB GLU 131 1HB GLU 131 14.753 17.453 -1.057 1056 1HG GLU 131 2HG GLU 131 16.441 18.843 -1.886 1057 2HG GLU 131 1HG GLU 131 15.222 18.817 -3.131 No H/Q in entry = 1057 Start of MODEL 20 1 1H ALA 1 2H ALA 1 3.168 8.992 2.732 2 2H ALA 1 1H ALA 1 3.240 7.820 3.888 3 3H ALA 1 3H ALA 1 1.909 8.821 3.791 4 HA ALA 1 HA ALA 1 2.975 10.628 4.596 5 1HB ALA 1 3HB ALA 1 2.778 8.102 5.790 6 2HB ALA 1 2HB ALA 1 4.464 8.489 6.139 7 3HB ALA 1 1HB ALA 1 3.133 9.580 6.711 8 H PHE 2 H PHE 2 5.656 8.058 4.723 9 HA PHE 2 HA PHE 2 7.403 10.326 3.819 10 1HB PHE 2 2HB PHE 2 9.054 8.075 3.944 11 2HB PHE 2 1HB PHE 2 9.106 9.626 4.864 12 HD1 PHE 2 HD2 PHE 2 6.834 6.462 5.055 13 HD2 PHE 2 HD1 PHE 2 9.384 9.286 7.049 14 HE1 PHE 2 HE2 PHE 2 6.435 5.363 7.187 15 HE2 PHE 2 HE1 PHE 2 9.002 8.214 9.179 16 HZ PHE 2 HZ PHE 2 7.498 6.196 9.285 17 H ASP 3 H ASP 3 7.481 10.696 1.767 18 HA ASP 3 HA ASP 3 8.453 8.709 -0.242 19 1HB ASP 3 2HB ASP 3 6.975 9.567 -1.952 20 2HB ASP 3 1HB ASP 3 6.126 8.600 -0.651 21 H GLY 4 H GLY 4 9.184 10.049 -2.301 22 1HA GLY 4 1HA GLY 4 10.251 12.159 -2.999 23 2HA GLY 4 2HA GLY 4 9.327 12.890 -1.783 24 H THR 5 H THR 5 11.246 14.058 -1.754 25 HA THR 5 HA THR 5 13.572 13.286 -0.002 26 HB THR 5 HB THR 5 14.616 14.884 -0.509 27 HG1 THR 5 1HG THR 5 13.839 16.469 0.495 28 1HG2 THR 5 2HG2 THR 5 13.549 14.217 -2.788 29 2HG2 THR 5 1HG2 THR 5 12.266 15.358 -2.624 30 3HG2 THR 5 3HG2 THR 5 13.960 15.930 -2.853 31 H TRP 6 H TRP 6 14.076 14.750 1.426 32 HA TRP 6 HA TRP 6 12.309 15.627 3.580 33 1HB TRP 6 2HB TRP 6 13.676 12.875 3.126 34 2HB TRP 6 1HB TRP 6 13.538 13.657 4.666 35 HD1 TRP 6 HD1 TRP 6 11.873 10.981 3.264 36 HE1 TRP 6 HE1 TRP 6 9.371 10.718 3.347 37 HE3 TRP 6 HE3 TRP 6 10.639 15.861 4.470 38 HZ2 TRP 6 HZ2 TRP 6 7.154 12.371 3.818 39 HZ3 TRP 6 HZ3 TRP 6 8.312 16.334 4.666 40 HH2 TRP 6 HH2 TRP 6 6.559 14.584 4.346 41 H LYS 7 H LYS 7 14.081 16.001 5.546 42 HA LYS 7 HA LYS 7 16.892 15.769 4.700 43 1HB LYS 7 2HB LYS 7 15.927 18.491 5.042 44 2HB LYS 7 1HB LYS 7 17.325 17.939 4.248 45 1HG LYS 7 2HG LYS 7 15.995 16.901 2.476 46 2HG LYS 7 1HG LYS 7 14.509 17.334 2.962 47 1HD LYS 7 2HD LYS 7 15.278 18.584 1.009 48 2HD LYS 7 1HD LYS 7 15.378 19.843 2.236 49 1HE LYS 7 2HE LYS 7 17.805 19.019 2.595 50 2HE LYS 7 1HE LYS 7 17.626 18.199 1.063 51 1HZ LYS 7 3HZ LYS 7 17.056 20.280 0.012 52 2HZ LYS 7 2HZ LYS 7 17.296 21.116 1.448 53 3HZ LYS 7 1HZ LYS 7 18.608 20.334 0.700 54 H VAL 8 H VAL 8 17.268 18.228 6.362 55 HA VAL 8 HA VAL 8 15.985 17.548 8.864 56 HB VAL 8 HB VAL 8 18.866 17.014 8.632 57 1HG1 VAL 8 3HG1 VAL 8 17.418 18.395 10.755 58 2HG1 VAL 8 2HG1 VAL 8 17.813 16.827 11.393 59 3HG1 VAL 8 1HG1 VAL 8 19.099 17.960 10.836 60 1HG2 VAL 8 1HG2 VAL 8 16.534 15.418 9.659 61 2HG2 VAL 8 3HG2 VAL 8 17.662 15.019 8.329 62 3HG2 VAL 8 2HG2 VAL 8 18.253 15.005 10.002 63 H ASP 9 H ASP 9 15.259 19.470 7.741 64 HA ASP 9 HA ASP 9 16.346 21.895 7.141 65 1HB ASP 9 2HB ASP 9 13.978 20.856 7.550 66 2HB ASP 9 1HB ASP 9 14.137 21.542 9.101 67 H ARG 10 H ARG 10 15.692 20.505 10.306 68 HA ARG 10 HA ARG 10 17.299 22.761 11.531 69 1HB ARG 10 2HB ARG 10 15.309 22.514 13.275 70 2HB ARG 10 1HB ARG 10 15.488 23.746 12.072 71 1HG ARG 10 2HG ARG 10 14.001 21.286 11.136 72 2HG ARG 10 1HG ARG 10 13.151 22.264 12.278 73 1HD ARG 10 2HD ARG 10 14.411 23.651 9.888 74 2HD ARG 10 1HD ARG 10 12.808 22.822 9.804 75 HE ARG 10 HE ARG 10 13.455 25.109 11.573 76 1HH1 ARG 10 1HH1 ARG 10 10.952 23.264 9.737 77 2HH1 ARG 10 2HH1 ARG 10 9.745 24.408 10.133 78 1HH2 ARG 10 1HH2 ARG 10 11.735 26.558 12.014 79 2HH2 ARG 10 2HH2 ARG 10 10.144 26.190 11.354 80 H ASN 11 H ASN 11 17.683 22.350 13.955 81 HA ASN 11 HA ASN 11 17.549 19.484 14.530 82 1HB ASN 11 2HB ASN 11 20.199 20.140 15.233 83 2HB ASN 11 1HB ASN 11 19.634 18.877 14.160 84 1HD2 ASN 11 2HD2 ASN 11 21.258 22.214 12.415 85 2HD2 ASN 11 1HD2 ASN 11 21.005 22.218 14.131 86 H GLU 12 H GLU 12 16.680 19.432 16.290 87 HA GLU 12 HA GLU 12 16.807 21.588 18.255 88 1HB GLU 12 2HB GLU 12 14.759 19.999 17.986 89 2HB GLU 12 1HB GLU 12 15.611 18.886 18.982 90 1HG GLU 12 2HG GLU 12 14.695 21.716 19.674 91 2HG GLU 12 1HG GLU 12 13.962 20.245 20.149 92 H ASN 13 H ASN 13 17.298 18.131 19.119 93 HA ASN 13 HA ASN 13 19.457 18.858 20.972 94 1HB ASN 13 2HB ASN 13 17.108 17.278 21.045 95 2HB ASN 13 1HB ASN 13 18.437 16.156 21.140 96 1HD2 ASN 13 1HD2 ASN 13 18.467 19.204 23.968 97 2HD2 ASN 13 2HD2 ASN 13 18.190 19.609 22.302 98 H TYR 14 H TYR 14 19.404 18.238 17.813 99 HA TYR 14 HA TYR 14 20.794 15.803 17.488 100 1HB TYR 14 2HB TYR 14 19.474 16.921 15.880 101 2HB TYR 14 1HB TYR 14 20.728 18.083 15.605 102 HD1 TYR 14 HD1 TYR 14 21.881 14.721 16.360 103 HD2 TYR 14 HD2 TYR 14 20.606 17.244 13.171 104 HE1 TYR 14 HE1 TYR 14 22.909 13.143 14.819 105 HE2 TYR 14 HE2 TYR 14 21.650 15.636 11.578 106 HH TYR 14 HH TYR 14 23.890 13.423 12.369 107 H GLU 15 H GLU 15 22.337 19.070 17.958 108 HA GLU 15 HA GLU 15 24.957 18.154 17.220 109 1HB GLU 15 2HB GLU 15 24.979 20.122 19.338 110 2HB GLU 15 1HB GLU 15 25.777 20.098 17.710 111 1HG GLU 15 2HG GLU 15 23.302 20.439 16.859 112 2HG GLU 15 1HG GLU 15 23.031 21.155 18.454 113 H LYS 16 H LYS 16 23.524 18.443 20.510 114 HA LYS 16 HA LYS 16 25.883 17.212 21.824 115 1HB LYS 16 2HB LYS 16 24.006 18.820 22.669 116 2HB LYS 16 1HB LYS 16 23.320 17.279 23.179 117 1HG LYS 16 2HG LYS 16 25.152 16.720 24.550 118 2HG LYS 16 1HG LYS 16 26.261 17.903 23.761 119 1HD LYS 16 2HD LYS 16 24.438 19.648 24.547 120 2HD LYS 16 1HD LYS 16 23.989 18.456 25.694 121 1HE LYS 16 2HE LYS 16 26.881 19.444 25.645 122 2HE LYS 16 1HE LYS 16 25.559 20.279 26.487 123 1HZ LYS 16 1HZ LYS 16 25.121 18.209 27.679 124 2HZ LYS 16 3HZ LYS 16 26.528 17.580 27.057 125 3HZ LYS 16 2HZ LYS 16 26.574 18.984 28.022 126 H PHE 17 H PHE 17 22.956 15.964 20.317 127 HA PHE 17 HA PHE 17 22.532 13.493 21.585 128 1HB PHE 17 2HB PHE 17 20.903 14.287 20.299 129 2HB PHE 17 1HB PHE 17 21.926 14.663 18.889 130 HD1 PHE 17 HD1 PHE 17 20.307 11.984 20.893 131 HD2 PHE 17 HD2 PHE 17 22.430 12.984 17.273 132 HE1 PHE 17 HE1 PHE 17 19.751 9.743 19.864 133 HE2 PHE 17 HE2 PHE 17 21.879 10.756 16.272 134 HZ PHE 17 HZ PHE 17 20.506 9.147 17.634 135 H MET 18 H MET 18 24.723 14.461 19.016 136 HA MET 18 HA MET 18 25.702 11.836 18.162 137 1HB MET 18 2HB MET 18 26.230 14.772 17.726 138 2HB MET 18 1HB MET 18 27.491 13.558 17.271 139 1HG MET 18 2HG MET 18 25.848 12.371 15.897 140 2HG MET 18 1HG MET 18 24.532 13.414 16.386 141 1HE MET 18 2HE MET 18 27.235 15.743 16.319 142 2HE MET 18 1HE MET 18 28.261 14.522 15.528 143 3HE MET 18 3HE MET 18 27.750 16.011 14.635 144 H GLU 19 H GLU 19 26.893 14.698 19.786 145 HA GLU 19 HA GLU 19 29.430 14.122 20.500 146 1HB GLU 19 2HB GLU 19 27.875 16.155 21.154 147 2HB GLU 19 1HB GLU 19 27.376 15.152 22.480 148 1HG GLU 19 2HG GLU 19 29.443 15.036 23.535 149 2HG GLU 19 1HG GLU 19 30.367 15.642 22.205 150 H LYS 20 H LYS 20 26.497 13.366 22.403 151 HA LYS 20 HA LYS 20 27.947 12.554 24.635 152 1HB LYS 20 2HB LYS 20 25.075 11.960 23.997 153 2HB LYS 20 1HB LYS 20 25.922 11.867 25.571 154 1HG LYS 20 2HG LYS 20 26.271 14.455 24.169 155 2HG LYS 20 1HG LYS 20 24.619 14.107 24.772 156 1HD LYS 20 2HD LYS 20 25.526 14.852 26.777 157 2HD LYS 20 1HD LYS 20 26.160 13.222 26.872 158 1HE LYS 20 2HE LYS 20 28.077 14.612 25.365 159 2HE LYS 20 1HE LYS 20 27.518 15.714 26.730 160 1HZ LYS 20 1HZ LYS 20 27.819 13.262 27.841 161 2HZ LYS 20 3HZ LYS 20 29.160 13.433 26.878 162 3HZ LYS 20 2HZ LYS 20 28.771 14.629 28.016 163 H MET 21 H MET 21 27.030 10.679 21.768 164 HA MET 21 HA MET 21 27.256 8.064 23.051 165 1HB MET 21 2HB MET 21 27.669 7.918 20.201 166 2HB MET 21 1HB MET 21 26.553 7.125 21.338 167 1HG MET 21 2HG MET 21 25.378 9.559 21.335 168 2HG MET 21 1HG MET 21 26.218 9.660 19.750 169 1HE MET 21 3HE MET 21 24.381 10.204 18.492 170 2HE MET 21 2HE MET 21 25.339 8.952 17.639 171 3HE MET 21 1HE MET 21 23.528 8.911 17.664 172 H GLY 22 H GLY 22 29.486 10.447 22.382 173 1HA GLY 22 1HA GLY 22 31.865 10.016 22.929 174 2HA GLY 22 2HA GLY 22 31.716 8.506 22.076 175 H ILE 23 H ILE 23 30.095 11.316 20.783 176 HA ILE 23 HA ILE 23 31.813 11.179 18.391 177 HB ILE 23 HB ILE 23 29.391 12.799 19.093 178 1HG1 ILE 23 2HG1 ILE 23 28.249 11.471 17.592 179 2HG1 ILE 23 1HG1 ILE 23 29.693 11.136 16.594 180 1HG2 ILE 23 1HG2 ILE 23 31.058 14.228 17.704 181 2HG2 ILE 23 3HG2 ILE 23 30.979 12.963 16.459 182 3HG2 ILE 23 2HG2 ILE 23 29.522 13.890 16.926 183 1HD1 ILE 23 2HD1 ILE 23 29.119 9.877 19.357 184 2HD1 ILE 23 1HD1 ILE 23 28.912 9.099 17.810 185 3HD1 ILE 23 3HD1 ILE 23 30.548 9.575 18.350 186 H ASN 24 H ASN 24 33.868 12.092 18.781 187 HA ASN 24 HA ASN 24 34.575 13.957 20.641 188 1HB ASN 24 2HB ASN 24 36.022 14.087 18.130 189 2HB ASN 24 1HB ASN 24 36.503 14.332 19.804 190 1HD2 ASN 24 1HD2 ASN 24 35.968 10.595 20.399 191 2HD2 ASN 24 2HD2 ASN 24 35.161 12.066 20.908 192 H VAL 25 H VAL 25 35.099 16.337 20.485 193 HA VAL 25 HA VAL 25 32.896 17.784 19.430 194 HB VAL 25 HB VAL 25 33.333 19.589 20.173 195 1HG1 VAL 25 1HG1 VAL 25 32.724 17.767 21.761 196 2HG1 VAL 25 3HG1 VAL 25 34.401 17.450 22.150 197 3HG1 VAL 25 2HG1 VAL 25 33.681 18.999 22.623 198 1HG2 VAL 25 2HG2 VAL 25 36.182 18.897 19.922 199 2HG2 VAL 25 1HG2 VAL 25 35.505 20.467 20.430 200 3HG2 VAL 25 3HG2 VAL 25 35.890 19.269 21.651 201 H VAL 26 H VAL 26 35.847 17.003 17.698 202 HA VAL 26 HA VAL 26 36.030 19.264 16.051 203 HB VAL 26 HB VAL 26 36.990 16.475 15.733 204 1HG1 VAL 26 2HG1 VAL 26 36.364 17.288 13.420 205 2HG1 VAL 26 1HG1 VAL 26 37.467 18.677 13.700 206 3HG1 VAL 26 3HG1 VAL 26 38.081 17.009 13.650 207 1HG2 VAL 26 2HG2 VAL 26 37.970 19.424 16.078 208 2HG2 VAL 26 1HG2 VAL 26 38.192 18.107 17.233 209 3HG2 VAL 26 3HG2 VAL 26 39.132 18.150 15.719 210 H LYS 27 H LYS 27 33.812 16.729 16.240 211 HA LYS 27 HA LYS 27 32.720 16.877 13.561 212 1HB LYS 27 2HB LYS 27 31.853 15.484 16.047 213 2HB LYS 27 1HB LYS 27 30.834 15.611 14.592 214 1HG LYS 27 2HG LYS 27 31.874 13.486 14.423 215 2HG LYS 27 1HG LYS 27 32.563 14.399 13.204 216 1HD LYS 27 2HD LYS 27 34.479 14.915 15.077 217 2HD LYS 27 1HD LYS 27 33.782 13.480 15.809 218 1HE LYS 27 2HE LYS 27 34.804 12.079 14.314 219 2HE LYS 27 1HE LYS 27 34.444 13.025 12.916 220 1HZ LYS 27 3HZ LYS 27 36.322 14.542 14.086 221 2HZ LYS 27 2HZ LYS 27 36.837 12.972 14.525 222 3HZ LYS 27 1HZ LYS 27 36.619 13.383 12.918 223 H ARG 28 H ARG 28 32.424 18.443 16.645 224 HA ARG 28 HA ARG 28 29.821 19.399 16.681 225 1HB ARG 28 2HB ARG 28 31.397 19.483 18.522 226 2HB ARG 28 1HB ARG 28 32.087 20.976 17.800 227 1HG ARG 28 2HG ARG 28 30.225 22.229 18.243 228 2HG ARG 28 1HG ARG 28 29.115 20.908 17.934 229 1HD ARG 28 2HD ARG 28 30.042 19.867 20.161 230 2HD ARG 28 1HD ARG 28 30.683 21.376 20.480 231 HE ARG 28 HE ARG 28 27.892 20.564 20.691 232 1HH1 ARG 28 1HH1 ARG 28 30.157 23.337 20.365 233 2HH1 ARG 28 2HH1 ARG 28 29.060 24.439 21.127 234 1HH2 ARG 28 1HH2 ARG 28 26.512 22.134 21.661 235 2HH2 ARG 28 2HH2 ARG 28 27.027 23.792 21.846 236 H LYS 29 H LYS 29 32.660 20.399 14.924 237 HA LYS 29 HA LYS 29 31.963 23.120 14.213 238 1HB LYS 29 2HB LYS 29 33.326 21.281 12.404 239 2HB LYS 29 1HB LYS 29 33.362 23.071 12.513 240 1HG LYS 29 2HG LYS 29 34.747 20.967 14.188 241 2HG LYS 29 1HG LYS 29 35.409 22.436 13.529 242 1HD LYS 29 2HD LYS 29 33.526 22.217 15.980 243 2HD LYS 29 1HD LYS 29 35.240 22.531 16.003 244 1HE LYS 29 2HE LYS 29 33.862 24.511 14.262 245 2HE LYS 29 1HE LYS 29 33.127 24.442 15.878 246 1HZ LYS 29 2HZ LYS 29 36.020 24.612 15.522 247 2HZ LYS 29 1HZ LYS 29 35.048 25.956 15.486 248 3HZ LYS 29 3HZ LYS 29 35.082 25.008 16.899 249 H LEU 30 H LEU 30 30.767 23.934 12.447 250 HA LEU 30 HA LEU 30 29.127 23.980 10.789 251 1HB LEU 30 2HB LEU 30 29.231 21.085 10.239 252 2HB LEU 30 1HB LEU 30 29.065 22.410 9.106 253 HG LEU 30 HG LEU 30 31.675 21.391 10.319 254 1HD1 LEU 30 1HD1 LEU 30 30.483 21.499 7.515 255 2HD1 LEU 30 3HD1 LEU 30 32.158 21.010 7.877 256 3HD1 LEU 30 2HD1 LEU 30 30.845 20.037 8.502 257 1HD2 LEU 30 3HD2 LEU 30 31.150 23.903 8.533 258 2HD2 LEU 30 2HD2 LEU 30 31.693 23.930 10.226 259 3HD2 LEU 30 1HD2 LEU 30 32.751 23.283 8.962 260 H GLY 31 H GLY 31 28.791 22.956 13.661 261 1HA GLY 31 1HA GLY 31 27.230 22.118 15.055 262 2HA GLY 31 2HA GLY 31 26.063 22.635 13.831 263 H ALA 32 H ALA 32 24.676 20.794 13.504 264 HA ALA 32 HA ALA 32 25.652 18.114 13.972 265 1HB ALA 32 3HB ALA 32 23.075 19.384 13.031 266 2HB ALA 32 2HB ALA 32 23.401 17.680 12.658 267 3HB ALA 32 1HB ALA 32 23.366 18.174 14.352 268 H HIS 33 H HIS 33 27.426 17.847 12.512 269 HA HIS 33 HA HIS 33 28.242 18.299 10.140 270 1HB HIS 33 2HB HIS 33 27.820 15.724 11.551 271 2HB HIS 33 1HB HIS 33 27.903 15.515 9.775 272 HD1 HIS 33 HD1 HIS 33 29.966 16.740 8.524 273 HD2 HIS 33 HD2 HIS 33 30.370 15.717 12.615 274 HE1 HIS 33 HE1 HIS 33 32.412 16.681 8.968 275 HE2 HIS 33 HE2 HIS 33 32.655 16.059 11.484 276 H ASP 34 H ASP 34 25.851 15.571 10.248 277 HA ASP 34 HA ASP 34 25.223 15.418 7.572 278 1HB ASP 34 2HB ASP 34 23.472 14.827 9.850 279 2HB ASP 34 1HB ASP 34 23.060 14.520 8.181 280 H ASN 35 H ASN 35 22.498 16.425 9.461 281 HA ASN 35 HA ASN 35 21.012 18.208 9.303 282 1HB ASN 35 2HB ASN 35 23.533 19.308 8.763 283 2HB ASN 35 1HB ASN 35 22.717 19.562 7.223 284 1HD2 ASN 35 1HD2 ASN 35 20.548 22.136 8.199 285 2HD2 ASN 35 2HD2 ASN 35 20.932 20.997 6.966 286 H LEU 36 H LEU 36 21.282 15.960 6.843 287 HA LEU 36 HA LEU 36 19.223 17.542 5.584 288 1HB LEU 36 2HB LEU 36 19.917 18.617 4.053 289 2HB LEU 36 1HB LEU 36 21.460 18.531 4.821 290 HG LEU 36 HG LEU 36 21.269 16.291 2.937 291 1HD1 LEU 36 1HD1 LEU 36 19.472 18.042 1.823 292 2HD1 LEU 36 3HD1 LEU 36 20.925 18.978 1.524 293 3HD1 LEU 36 2HD1 LEU 36 20.800 17.378 0.812 294 1HD2 LEU 36 2HD2 LEU 36 23.229 17.843 3.807 295 2HD2 LEU 36 1HD2 LEU 36 23.198 17.607 2.019 296 3HD2 LEU 36 3HD2 LEU 36 22.527 19.096 2.783 297 H LYS 37 H LYS 37 19.035 16.849 3.178 298 HA LYS 37 HA LYS 37 17.193 15.281 2.914 299 1HB LYS 37 2HB LYS 37 19.133 16.194 1.052 300 2HB LYS 37 1HB LYS 37 19.030 14.528 0.699 301 1HG LYS 37 2HG LYS 37 16.477 14.746 0.915 302 2HG LYS 37 1HG LYS 37 16.710 16.490 0.737 303 1HD LYS 37 2HD LYS 37 17.275 14.124 -1.080 304 2HD LYS 37 1HD LYS 37 16.185 15.450 -1.391 305 1HE LYS 37 2HE LYS 37 18.165 15.730 -2.849 306 2HE LYS 37 1HE LYS 37 18.102 17.041 -1.677 307 1HZ LYS 37 2HZ LYS 37 19.868 14.696 -1.159 308 2HZ LYS 37 1HZ LYS 37 20.285 15.936 -2.241 309 3HZ LYS 37 3HZ LYS 37 19.973 16.301 -0.639 310 H LEU 38 H LEU 38 17.309 13.907 4.687 311 HA LEU 38 HA LEU 38 18.554 11.364 4.710 312 1HB LEU 38 2HB LEU 38 16.462 12.436 6.191 313 2HB LEU 38 1HB LEU 38 15.579 11.924 4.870 314 HG LEU 38 HG LEU 38 15.401 10.315 6.714 315 1HD1 LEU 38 1HD1 LEU 38 15.690 9.386 4.309 316 2HD1 LEU 38 3HD1 LEU 38 17.350 8.899 4.815 317 3HD1 LEU 38 2HD1 LEU 38 15.892 8.221 5.597 318 1HD2 LEU 38 3HD2 LEU 38 18.186 10.978 7.078 319 2HD2 LEU 38 2HD2 LEU 38 17.170 9.872 8.056 320 3HD2 LEU 38 1HD2 LEU 38 18.109 9.240 6.681 321 H THR 39 H THR 39 15.915 12.897 3.093 322 HA THR 39 HA THR 39 14.509 12.561 1.490 323 HB THR 39 HB THR 39 16.327 10.633 0.055 324 HG1 THR 39 1HG THR 39 16.963 12.959 1.167 325 1HG2 THR 39 1HG2 THR 39 14.138 11.755 -1.058 326 2HG2 THR 39 3HG2 THR 39 15.195 13.212 -1.114 327 3HG2 THR 39 2HG2 THR 39 15.662 11.800 -2.001 328 H ILE 40 H ILE 40 12.685 10.914 1.064 329 HA ILE 40 HA ILE 40 13.491 8.068 1.627 330 HB ILE 40 HB ILE 40 11.120 9.257 2.960 331 1HG1 ILE 40 2HG1 ILE 40 13.804 8.365 4.251 332 2HG1 ILE 40 1HG1 ILE 40 13.486 10.010 3.839 333 1HG2 ILE 40 3HG2 ILE 40 12.283 6.488 2.908 334 2HG2 ILE 40 2HG2 ILE 40 11.132 7.066 4.166 335 3HG2 ILE 40 1HG2 ILE 40 10.655 7.081 2.491 336 1HD1 ILE 40 3HD1 ILE 40 11.237 9.627 5.273 337 2HD1 ILE 40 2HD1 ILE 40 12.252 8.342 6.013 338 3HD1 ILE 40 1HD1 ILE 40 12.742 10.054 6.092 339 H THR 41 H THR 41 12.991 6.892 0.040 340 HA THR 41 HA THR 41 10.593 7.398 -1.692 341 HB THR 41 HB THR 41 12.022 5.259 -2.710 342 HG1 THR 41 1HG THR 41 13.712 5.507 -1.603 343 1HG2 THR 41 1HG2 THR 41 11.018 7.341 -3.867 344 2HG2 THR 41 3HG2 THR 41 12.423 8.274 -3.295 345 3HG2 THR 41 2HG2 THR 41 12.658 6.992 -4.481 346 H GLN 42 H GLN 42 10.197 4.696 -2.480 347 HA GLN 42 HA GLN 42 10.005 3.079 -0.001 348 1HB GLN 42 2HB GLN 42 8.103 4.869 -0.542 349 2HB GLN 42 1HB GLN 42 7.730 3.805 -1.894 350 1HG GLN 42 2HG GLN 42 7.800 2.359 0.748 351 2HG GLN 42 1HG GLN 42 6.578 3.600 0.679 352 1HE2 GLN 42 2HE2 GLN 42 4.405 2.123 -1.569 353 2HE2 GLN 42 1HE2 GLN 42 4.941 3.548 -0.781 354 H GLU 43 H GLU 43 10.859 1.184 -0.731 355 HA GLU 43 HA GLU 43 10.082 0.251 -3.497 356 1HB GLU 43 2HB GLU 43 12.582 0.585 -2.103 357 2HB GLU 43 1HB GLU 43 12.344 -1.127 -2.316 358 1HG GLU 43 2HG GLU 43 12.012 0.798 -4.630 359 2HG GLU 43 1HG GLU 43 13.623 -0.019 -4.165 360 H GLY 44 H GLY 44 8.198 0.108 -1.683 361 1HA GLY 44 1HA GLY 44 6.707 -1.576 -0.936 362 2HA GLY 44 2HA GLY 44 7.938 -2.814 -1.284 363 H ASN 45 H ASN 45 9.779 -3.039 0.098 364 HA ASN 45 HA ASN 45 9.197 -2.304 2.916 365 1HB ASN 45 2HB ASN 45 11.433 -4.216 2.485 366 2HB ASN 45 1HB ASN 45 10.118 -4.199 3.643 367 1HD2 ASN 45 2HD2 ASN 45 7.929 -6.234 1.711 368 2HD2 ASN 45 1HD2 ASN 45 8.127 -5.117 3.021 369 H LYS 46 H LYS 46 12.256 -3.037 1.287 370 HA LYS 46 HA LYS 46 13.911 -1.215 2.537 371 1HB LYS 46 2HB LYS 46 15.225 -2.380 1.055 372 2HB LYS 46 1HB LYS 46 13.826 -2.577 -0.048 373 1HG LYS 46 2HG LYS 46 14.306 -0.306 -0.993 374 2HG LYS 46 1HG LYS 46 15.734 -0.203 0.055 375 1HD LYS 46 2HD LYS 46 16.515 -0.978 -2.054 376 2HD LYS 46 1HD LYS 46 16.550 -2.364 -1.021 377 1HE LYS 46 2HE LYS 46 14.063 -1.861 -2.741 378 2HE LYS 46 1HE LYS 46 15.500 -2.368 -3.532 379 1HZ LYS 46 3HZ LYS 46 14.728 -3.946 -1.230 380 2HZ LYS 46 2HZ LYS 46 13.771 -4.035 -2.639 381 3HZ LYS 46 1HZ LYS 46 15.418 -4.424 -2.678 382 H PHE 47 H PHE 47 14.914 0.656 1.714 383 HA PHE 47 HA PHE 47 13.460 2.042 -0.406 384 1HB PHE 47 2HB PHE 47 13.741 4.079 1.538 385 2HB PHE 47 1HB PHE 47 12.182 3.489 0.887 386 HD1 PHE 47 HD2 PHE 47 14.791 2.818 3.615 387 HD2 PHE 47 HD1 PHE 47 10.633 2.547 2.477 388 HE1 PHE 47 HE2 PHE 47 14.228 2.124 5.883 389 HE2 PHE 47 HE1 PHE 47 10.110 1.843 4.779 390 HZ PHE 47 HZ PHE 47 11.899 1.633 6.490 391 H THR 48 H THR 48 14.430 3.487 -1.450 392 HA THR 48 HA THR 48 17.332 3.689 -1.171 393 HB THR 48 HB THR 48 15.408 4.902 -3.196 394 HG1 THR 48 1HG THR 48 15.911 2.593 -3.138 395 1HG2 THR 48 2HG2 THR 48 18.530 4.816 -3.119 396 2HG2 THR 48 1HG2 THR 48 17.629 5.380 -4.540 397 3HG2 THR 48 3HG2 THR 48 17.513 6.261 -3.014 398 H VAL 49 H VAL 49 16.860 4.670 1.041 399 HA VAL 49 HA VAL 49 15.697 7.395 0.935 400 HB VAL 49 HB VAL 49 16.316 7.559 3.283 401 1HG1 VAL 49 3HG1 VAL 49 14.117 6.296 2.412 402 2HG1 VAL 49 2HG1 VAL 49 14.954 4.845 2.924 403 3HG1 VAL 49 1HG1 VAL 49 14.592 6.123 4.109 404 1HG2 VAL 49 1HG2 VAL 49 18.098 5.410 2.664 405 2HG2 VAL 49 3HG2 VAL 49 17.822 6.038 4.281 406 3HG2 VAL 49 2HG2 VAL 49 16.830 4.676 3.649 407 H LYS 50 H LYS 50 17.119 9.227 1.007 408 HA LYS 50 HA LYS 50 19.767 8.525 -0.095 409 1HB LYS 50 2HB LYS 50 18.052 10.432 -0.727 410 2HB LYS 50 1HB LYS 50 18.752 11.296 0.619 411 1HG LYS 50 2HG LYS 50 20.857 11.602 -0.537 412 2HG LYS 50 1HG LYS 50 20.607 10.156 -1.532 413 1HD LYS 50 2HD LYS 50 18.532 11.528 -2.378 414 2HD LYS 50 1HD LYS 50 19.618 12.907 -1.815 415 1HE LYS 50 2HE LYS 50 21.384 11.250 -3.077 416 2HE LYS 50 1HE LYS 50 19.996 11.194 -4.196 417 1HZ LYS 50 3HZ LYS 50 20.092 13.765 -3.632 418 2HZ LYS 50 2HZ LYS 50 21.713 13.370 -3.366 419 3HZ LYS 50 1HZ LYS 50 20.958 13.019 -4.864 420 H GLU 51 H GLU 51 20.300 11.395 1.272 421 HA GLU 51 HA GLU 51 20.383 12.060 3.416 422 1HB GLU 51 2HB GLU 51 20.440 9.636 4.504 423 2HB GLU 51 1HB GLU 51 22.009 9.384 3.765 424 1HG GLU 51 2HG GLU 51 23.072 10.871 5.203 425 2HG GLU 51 1HG GLU 51 21.549 11.738 5.562 426 H SER 52 H SER 52 21.333 12.988 1.418 427 HA SER 52 HA SER 52 24.238 12.568 1.146 428 1HB SER 52 2HB SER 52 22.087 13.866 -0.551 429 2HB SER 52 1HB SER 52 23.855 14.247 -0.773 430 HG SER 52 HG SER 52 23.727 11.719 -0.607 431 H SER 53 H SER 53 23.700 13.358 3.473 432 HA SER 53 HA SER 53 22.942 15.985 4.016 433 1HB SER 53 2HB SER 53 24.622 14.172 5.780 434 2HB SER 53 1HB SER 53 23.697 15.639 6.191 435 HG SER 53 HG SER 53 22.582 13.310 5.059 436 H ASN 54 H ASN 54 25.887 15.769 5.801 437 HA ASN 54 HA ASN 54 27.371 17.280 3.656 438 1HB ASN 54 2HB ASN 54 26.187 18.641 5.683 439 2HB ASN 54 1HB ASN 54 27.677 18.050 6.491 440 1HD2 ASN 54 2HD2 ASN 54 28.154 20.801 3.468 441 2HD2 ASN 54 1HD2 ASN 54 26.672 19.917 3.474 442 H PHE 55 H PHE 55 27.733 14.746 3.787 443 HA PHE 55 HA PHE 55 30.359 14.538 5.196 444 1HB PHE 55 2HB PHE 55 27.942 12.804 5.483 445 2HB PHE 55 1HB PHE 55 29.524 11.951 5.335 446 HD1 PHE 55 HD1 PHE 55 31.380 13.738 6.695 447 HD2 PHE 55 HD2 PHE 55 27.330 12.559 7.737 448 HE1 PHE 55 HE1 PHE 55 31.892 14.114 9.040 449 HE2 PHE 55 HE2 PHE 55 27.874 12.946 10.086 450 HZ PHE 55 HZ PHE 55 30.101 13.700 10.732 451 H ARG 56 H ARG 56 28.285 12.092 3.460 452 HA ARG 56 HA ARG 56 30.649 11.620 1.733 453 1HB ARG 56 2HB ARG 56 28.131 9.924 1.948 454 2HB ARG 56 1HB ARG 56 29.775 9.444 1.468 455 1HG ARG 56 2HG ARG 56 30.501 9.883 3.907 456 2HG ARG 56 1HG ARG 56 28.852 10.255 4.276 457 1HD ARG 56 2HD ARG 56 29.072 7.948 4.922 458 2HD ARG 56 1HD ARG 56 28.186 7.940 3.428 459 HE ARG 56 HE ARG 56 30.584 7.602 2.394 460 1HH1 ARG 56 1HH1 ARG 56 29.439 6.055 5.420 461 2HH1 ARG 56 2HH1 ARG 56 30.475 4.686 5.218 462 1HH2 ARG 56 1HH2 ARG 56 31.891 5.838 2.167 463 2HH2 ARG 56 2HH2 ARG 56 31.888 4.558 3.354 464 H ASN 57 H ASN 57 27.380 12.672 1.899 465 HA ASN 57 HA ASN 57 25.856 13.296 0.390 466 1HB ASN 57 2HB ASN 57 27.153 14.964 -0.497 467 2HB ASN 57 1HB ASN 57 28.441 13.791 -0.921 468 1HD2 ASN 57 2HD2 ASN 57 27.354 13.582 -4.274 469 2HD2 ASN 57 1HD2 ASN 57 28.589 13.320 -3.099 470 H ILE 58 H ILE 58 25.205 11.009 0.706 471 HA ILE 58 HA ILE 58 25.269 9.614 -1.899 472 HB ILE 58 HB ILE 58 27.138 8.959 -0.124 473 1HG1 ILE 58 2HG1 ILE 58 26.047 6.418 -0.981 474 2HG1 ILE 58 1HG1 ILE 58 25.880 7.648 -2.258 475 1HG2 ILE 58 1HG2 ILE 58 25.398 8.581 1.727 476 2HG2 ILE 58 3HG2 ILE 58 24.798 7.207 0.783 477 3HG2 ILE 58 2HG2 ILE 58 26.441 7.178 1.379 478 1HD1 ILE 58 2HD1 ILE 58 28.285 8.261 -2.064 479 2HD1 ILE 58 1HD1 ILE 58 28.560 7.071 -0.818 480 3HD1 ILE 58 3HD1 ILE 58 28.130 6.519 -2.447 481 H ASP 59 H ASP 59 23.965 7.593 -1.638 482 HA ASP 59 HA ASP 59 21.635 8.139 0.198 483 1HB ASP 59 2HB ASP 59 20.443 6.637 -1.502 484 2HB ASP 59 1HB ASP 59 20.768 8.263 -2.043 485 H VAL 60 H VAL 60 20.508 6.251 0.850 486 HA VAL 60 HA VAL 60 22.284 3.882 0.985 487 HB VAL 60 HB VAL 60 20.348 4.916 3.092 488 1HG1 VAL 60 3HG1 VAL 60 21.508 2.447 2.772 489 2HG1 VAL 60 2HG1 VAL 60 22.708 3.174 3.861 490 3HG1 VAL 60 1HG1 VAL 60 21.025 3.040 4.366 491 1HG2 VAL 60 1HG2 VAL 60 23.336 5.555 2.705 492 2HG2 VAL 60 3HG2 VAL 60 21.973 6.613 3.132 493 3HG2 VAL 60 2HG2 VAL 60 22.610 5.458 4.330 494 H VAL 61 H VAL 61 21.250 1.818 0.855 495 HA VAL 61 HA VAL 61 18.273 1.914 0.438 496 HB VAL 61 HB VAL 61 18.572 2.077 -1.714 497 1HG1 VAL 61 1HG1 VAL 61 21.368 0.902 -1.333 498 2HG1 VAL 61 3HG1 VAL 61 20.777 1.484 -2.905 499 3HG1 VAL 61 2HG1 VAL 61 20.932 2.624 -1.545 500 1HG2 VAL 61 2HG2 VAL 61 18.138 -0.617 -1.091 501 2HG2 VAL 61 1HG2 VAL 61 18.155 0.050 -2.722 502 3HG2 VAL 61 3HG2 VAL 61 19.608 -0.741 -2.104 503 H PHE 62 H PHE 62 17.582 0.517 1.878 504 HA PHE 62 HA PHE 62 18.824 -2.183 1.927 505 1HB PHE 62 2HB PHE 62 19.193 -2.172 4.250 506 2HB PHE 62 1HB PHE 62 20.182 -0.992 3.430 507 HD1 PHE 62 HD2 PHE 62 19.508 1.466 3.464 508 HD2 PHE 62 HD1 PHE 62 17.733 -1.412 6.063 509 HE1 PHE 62 HE2 PHE 62 18.779 3.315 4.888 510 HE2 PHE 62 HE1 PHE 62 16.964 0.369 7.548 511 HZ PHE 62 HZ PHE 62 17.493 2.797 6.954 512 H GLU 63 H GLU 63 17.306 -3.636 2.329 513 HA GLU 63 HA GLU 63 14.488 -3.135 2.711 514 1HB GLU 63 2HB GLU 63 16.180 -5.632 3.106 515 2HB GLU 63 1HB GLU 63 14.420 -5.586 3.497 516 1HG GLU 63 2HG GLU 63 14.144 -6.183 1.245 517 2HG GLU 63 1HG GLU 63 14.354 -4.501 1.014 518 H LEU 64 H LEU 64 14.352 -1.574 4.279 519 HA LEU 64 HA LEU 64 15.251 -0.827 6.435 520 1HB LEU 64 2HB LEU 64 13.113 -0.493 7.464 521 2HB LEU 64 1HB LEU 64 13.193 -0.202 5.714 522 HG LEU 64 HG LEU 64 11.936 -2.728 6.939 523 1HD1 LEU 64 2HD1 LEU 64 10.806 -0.393 7.509 524 2HD1 LEU 64 1HD1 LEU 64 10.482 -0.311 5.766 525 3HD1 LEU 64 3HD1 LEU 64 9.791 -1.614 6.729 526 1HD2 LEU 64 2HD2 LEU 64 12.380 -1.526 4.196 527 2HD2 LEU 64 1HD2 LEU 64 12.411 -3.223 4.723 528 3HD2 LEU 64 3HD2 LEU 64 10.852 -2.365 4.443 529 H GLY 65 H GLY 65 16.684 -2.115 7.875 530 1HA GLY 65 1HA GLY 65 16.307 -3.185 10.104 531 2HA GLY 65 2HA GLY 65 15.293 -4.335 9.359 532 H VAL 66 H VAL 66 18.565 -2.963 8.600 533 HA VAL 66 HA VAL 66 19.608 -5.758 8.787 534 HB VAL 66 HB VAL 66 21.270 -5.207 6.978 535 1HG1 VAL 66 1HG1 VAL 66 18.534 -6.159 6.976 536 2HG1 VAL 66 3HG1 VAL 66 18.829 -5.331 5.433 537 3HG1 VAL 66 2HG1 VAL 66 19.844 -6.668 5.905 538 1HG2 VAL 66 3HG2 VAL 66 20.507 -2.615 6.889 539 2HG2 VAL 66 2HG2 VAL 66 20.722 -3.498 5.367 540 3HG2 VAL 66 1HG2 VAL 66 19.088 -3.265 6.015 541 H ASP 67 H ASP 67 21.929 -5.750 9.602 542 HA ASP 67 HA ASP 67 22.296 -3.873 11.641 543 1HB ASP 67 2HB ASP 67 24.300 -4.778 12.163 544 2HB ASP 67 1HB ASP 67 23.039 -5.983 11.945 545 H PHE 68 H PHE 68 24.627 -2.663 11.842 546 HA PHE 68 HA PHE 68 25.096 -1.389 9.174 547 1HB PHE 68 2HB PHE 68 23.955 0.183 11.436 548 2HB PHE 68 1HB PHE 68 25.129 0.897 10.356 549 HD1 PHE 68 HD2 PHE 68 21.766 -0.659 10.565 550 HD2 PHE 68 HD1 PHE 68 24.570 1.220 7.915 551 HE1 PHE 68 HE2 PHE 68 20.016 -0.455 8.916 552 HE2 PHE 68 HE1 PHE 68 22.804 1.434 6.220 553 HZ PHE 68 HZ PHE 68 20.491 0.595 6.705 554 H ALA 69 H ALA 69 25.999 -0.766 12.658 555 HA ALA 69 HA ALA 69 28.076 -0.322 13.493 556 1HB ALA 69 3HB ALA 69 28.643 -2.411 11.405 557 2HB ALA 69 2HB ALA 69 30.041 -1.474 12.007 558 3HB ALA 69 1HB ALA 69 29.059 -2.370 13.166 559 H TYR 70 H TYR 70 26.972 1.590 12.219 560 HA TYR 70 HA TYR 70 28.627 2.734 10.035 561 1HB TYR 70 2HB TYR 70 26.036 2.744 10.175 562 2HB TYR 70 1HB TYR 70 26.153 3.742 11.627 563 HD1 TYR 70 HD1 TYR 70 28.818 4.863 9.515 564 HD2 TYR 70 HD2 TYR 70 24.505 5.121 9.924 565 HE1 TYR 70 HE1 TYR 70 28.764 6.921 8.203 566 HE2 TYR 70 HE2 TYR 70 24.510 7.151 8.624 567 HH TYR 70 HH TYR 70 26.575 8.120 6.630 568 H SER 71 H SER 71 27.255 3.676 13.173 569 HA SER 71 HA SER 71 28.420 4.449 15.071 570 1HB SER 71 2HB SER 71 30.464 5.491 15.071 571 2HB SER 71 1HB SER 71 30.683 4.177 13.952 572 HG SER 71 HG SER 71 30.198 5.819 12.252 573 H LEU 72 H LEU 72 26.359 5.309 13.543 574 HA LEU 72 HA LEU 72 25.113 7.048 12.855 575 1HB LEU 72 2HB LEU 72 24.645 6.871 15.230 576 2HB LEU 72 1HB LEU 72 25.991 7.914 15.682 577 HG LEU 72 HG LEU 72 23.555 8.775 15.592 578 1HD1 LEU 72 1HD1 LEU 72 25.829 10.034 15.899 579 2HD1 LEU 72 3HD1 LEU 72 25.438 10.815 14.356 580 3HD1 LEU 72 2HD1 LEU 72 24.350 10.957 15.751 581 1HD2 LEU 72 2HD2 LEU 72 23.231 8.055 13.199 582 2HD2 LEU 72 1HD2 LEU 72 22.889 9.816 13.358 583 3HD2 LEU 72 3HD2 LEU 72 24.370 9.265 12.616 584 H ALA 73 H ALA 73 26.479 7.573 11.232 585 HA ALA 73 HA ALA 73 27.792 8.825 9.863 586 1HB ALA 73 2HB ALA 73 25.611 10.119 10.498 587 2HB ALA 73 1HB ALA 73 26.771 11.338 11.019 588 3HB ALA 73 3HB ALA 73 26.886 10.680 9.345 589 H ASP 74 H ASP 74 29.415 7.919 11.785 590 HA ASP 74 HA ASP 74 31.661 8.182 12.311 591 1HB ASP 74 2HB ASP 74 31.435 11.012 11.837 592 2HB ASP 74 1HB ASP 74 32.738 10.238 12.774 593 H GLY 75 H GLY 75 32.504 7.918 14.243 594 1HA GLY 75 1HA GLY 75 32.706 9.315 16.507 595 2HA GLY 75 2HA GLY 75 30.991 9.092 16.539 596 H THR 76 H THR 76 30.153 6.775 16.653 597 HA THR 76 HA THR 76 32.058 5.125 18.289 598 HB THR 76 HB THR 76 29.045 5.498 18.311 599 HG1 THR 76 1HG THR 76 30.337 5.888 20.580 600 1HG2 THR 76 2HG2 THR 76 30.893 3.538 19.892 601 2HG2 THR 76 1HG2 THR 76 29.260 3.967 20.482 602 3HG2 THR 76 3HG2 THR 76 29.476 3.062 18.995 603 H GLU 77 H GLU 77 28.859 3.902 17.143 604 HA GLU 77 HA GLU 77 30.274 2.235 15.097 605 1HB GLU 77 2HB GLU 77 29.846 1.374 17.800 606 2HB GLU 77 1HB GLU 77 28.707 0.525 16.846 607 1HG GLU 77 2HG GLU 77 31.748 0.692 16.208 608 2HG GLU 77 1HG GLU 77 30.994 -0.660 17.079 609 H LEU 78 H LEU 78 27.302 2.329 17.109 610 HA LEU 78 HA LEU 78 25.171 1.760 16.778 611 1HB LEU 78 2HB LEU 78 26.007 3.723 14.645 612 2HB LEU 78 1HB LEU 78 24.794 2.728 13.941 613 HG LEU 78 HG LEU 78 24.393 4.821 16.025 614 1HD1 LEU 78 1HD1 LEU 78 23.810 5.024 13.574 615 2HD1 LEU 78 3HD1 LEU 78 22.594 3.752 13.779 616 3HD1 LEU 78 2HD1 LEU 78 22.431 5.268 14.678 617 1HD2 LEU 78 2HD2 LEU 78 22.995 2.093 15.764 618 2HD2 LEU 78 1HD2 LEU 78 23.327 2.954 17.282 619 3HD2 LEU 78 3HD2 LEU 78 22.017 3.528 16.196 620 H THR 79 H THR 79 25.081 -0.234 16.668 621 HA THR 79 HA THR 79 25.092 -1.833 14.112 622 HB THR 79 HB THR 79 25.896 -2.573 16.943 623 HG1 THR 79 1HG THR 79 27.477 -3.434 15.063 624 1HG2 THR 79 1HG2 THR 79 24.395 -4.365 15.461 625 2HG2 THR 79 3HG2 THR 79 26.027 -4.689 14.891 626 3HG2 THR 79 2HG2 THR 79 25.631 -4.839 16.640 627 H GLY 80 H GLY 80 22.884 -1.156 13.885 628 1HA GLY 80 1HA GLY 80 21.075 -2.826 15.460 629 2HA GLY 80 2HA GLY 80 20.770 -1.032 15.460 630 H THR 81 H THR 81 18.764 -2.362 14.443 631 HA THR 81 HA THR 81 19.213 -2.276 11.493 632 HB THR 81 HB THR 81 17.698 -4.031 11.205 633 HG1 THR 81 1HG THR 81 16.839 -3.551 13.856 634 1HG2 THR 81 2HG2 THR 81 19.751 -4.530 13.315 635 2HG2 THR 81 1HG2 THR 81 18.429 -5.701 13.271 636 3HG2 THR 81 3HG2 THR 81 19.377 -5.375 11.805 637 H TRP 82 H TRP 82 18.729 -0.350 11.245 638 HA TRP 82 HA TRP 82 16.514 1.034 12.350 639 1HB TRP 82 2HB TRP 82 17.138 1.417 9.386 640 2HB TRP 82 1HB TRP 82 16.469 2.589 10.528 641 HD1 TRP 82 HD1 TRP 82 20.090 0.908 10.774 642 HE1 TRP 82 HE1 TRP 82 21.747 2.850 10.926 643 HE3 TRP 82 HE3 TRP 82 16.892 4.806 10.245 644 HZ2 TRP 82 HZ2 TRP 82 21.699 5.764 10.856 645 HZ3 TRP 82 HZ3 TRP 82 17.634 7.073 10.316 646 HH2 TRP 82 HH2 TRP 82 20.145 7.547 10.627 647 H THR 83 H THR 83 14.443 0.989 11.785 648 HA THR 83 HA THR 83 13.288 -0.256 9.347 649 HB THR 83 HB THR 83 11.550 -1.040 11.363 650 HG1 THR 83 1HG THR 83 14.108 -1.827 12.125 651 1HG2 THR 83 1HG2 THR 83 13.805 -2.676 9.888 652 2HG2 THR 83 3HG2 THR 83 12.469 -3.464 10.738 653 3HG2 THR 83 2HG2 THR 83 12.158 -2.502 9.300 654 H MET 84 H MET 84 10.801 0.032 9.958 655 HA MET 84 HA MET 84 10.350 2.610 11.241 656 1HB MET 84 2HB MET 84 9.653 3.696 9.185 657 2HB MET 84 1HB MET 84 11.168 2.976 8.770 658 1HG MET 84 2HG MET 84 10.114 1.407 7.315 659 2HG MET 84 1HG MET 84 8.720 1.372 8.307 660 1HE MET 84 1HE MET 84 7.529 1.021 6.350 661 2HE MET 84 3HE MET 84 6.552 2.343 5.603 662 3HE MET 84 2HE MET 84 8.044 1.806 4.837 663 H GLU 85 H GLU 85 7.577 2.657 9.833 664 HA GLU 85 HA GLU 85 6.617 -0.070 10.169 665 1HB GLU 85 2HB GLU 85 7.045 1.210 12.538 666 2HB GLU 85 1HB GLU 85 5.407 1.804 12.123 667 1HG GLU 85 2HG GLU 85 4.858 -0.818 11.747 668 2HG GLU 85 1HG GLU 85 6.404 -1.108 12.334 669 H GLY 86 H GLY 86 3.966 0.605 10.833 670 1HA GLY 86 1HA GLY 86 2.904 1.307 8.366 671 2HA GLY 86 2HA GLY 86 2.009 1.379 9.999 672 H ASN 87 H ASN 87 4.230 3.223 11.076 673 HA ASN 87 HA ASN 87 3.719 5.600 9.406 674 1HB ASN 87 2HB ASN 87 2.715 6.987 10.617 675 2HB ASN 87 1HB ASN 87 1.710 5.601 9.976 676 1HD2 ASN 87 2HD2 ASN 87 1.711 6.422 13.904 677 2HD2 ASN 87 1HD2 ASN 87 2.221 7.544 12.665 678 H LYS 88 H LYS 88 6.244 4.194 10.487 679 HA LYS 88 HA LYS 88 7.608 6.623 11.234 680 1HB LYS 88 2HB LYS 88 8.199 6.126 13.495 681 2HB LYS 88 1HB LYS 88 6.606 6.677 13.409 682 1HG LYS 88 2HG LYS 88 5.599 4.465 13.779 683 2HG LYS 88 1HG LYS 88 7.243 3.716 13.875 684 1HD LYS 88 2HD LYS 88 6.894 6.170 15.445 685 2HD LYS 88 1HD LYS 88 5.892 4.828 15.960 686 1HE LYS 88 2HE LYS 88 8.788 4.115 15.413 687 2HE LYS 88 1HE LYS 88 8.534 5.270 16.702 688 1HZ LYS 88 3HZ LYS 88 6.970 3.718 17.732 689 2HZ LYS 88 2HZ LYS 88 7.202 2.612 16.496 690 3HZ LYS 88 1HZ LYS 88 8.514 3.025 17.496 691 H LEU 89 H LEU 89 9.462 6.409 10.839 692 HA LEU 89 HA LEU 89 11.125 4.091 10.297 693 1HB LEU 89 2HB LEU 89 11.323 7.055 10.576 694 2HB LEU 89 1HB LEU 89 12.598 6.196 11.323 695 HG LEU 89 HG LEU 89 12.151 5.242 8.523 696 1HD1 LEU 89 2HD1 LEU 89 11.263 7.732 8.702 697 2HD1 LEU 89 1HD1 LEU 89 12.974 8.044 8.230 698 3HD1 LEU 89 3HD1 LEU 89 11.916 6.971 7.276 699 1HD2 LEU 89 1HD2 LEU 89 14.387 5.933 10.259 700 2HD2 LEU 89 3HD2 LEU 89 14.478 5.091 8.717 701 3HD2 LEU 89 2HD2 LEU 89 14.577 6.854 8.749 702 H VAL 90 H VAL 90 13.174 3.947 11.853 703 HA VAL 90 HA VAL 90 12.418 4.236 14.707 704 HB VAL 90 HB VAL 90 13.425 1.579 13.895 705 1HG1 VAL 90 2HG1 VAL 90 12.203 2.744 16.373 706 2HG1 VAL 90 1HG1 VAL 90 11.666 1.118 15.998 707 3HG1 VAL 90 3HG1 VAL 90 13.378 1.434 16.175 708 1HG2 VAL 90 2HG2 VAL 90 10.391 2.484 14.009 709 2HG2 VAL 90 1HG2 VAL 90 11.212 1.653 12.637 710 3HG2 VAL 90 3HG2 VAL 90 10.865 0.814 14.142 711 H GLY 91 H GLY 91 14.786 4.798 12.548 712 1HA GLY 91 1HA GLY 91 17.093 4.673 12.380 713 2HA GLY 91 2HA GLY 91 16.883 5.297 14.026 714 H LYS 92 H LYS 92 16.434 3.446 15.537 715 HA LYS 92 HA LYS 92 16.970 1.614 16.688 716 1HB LYS 92 2HB LYS 92 17.451 0.458 13.917 717 2HB LYS 92 1HB LYS 92 17.693 -0.479 15.405 718 1HG LYS 92 2HG LYS 92 15.105 1.007 14.847 719 2HG LYS 92 1HG LYS 92 15.316 -0.697 14.670 720 1HD LYS 92 2HD LYS 92 16.419 -0.361 17.114 721 2HD LYS 92 1HD LYS 92 15.058 0.794 17.091 722 1HE LYS 92 2HE LYS 92 13.456 -0.936 16.779 723 2HE LYS 92 1HE LYS 92 14.726 -2.069 16.124 724 1HZ LYS 92 3HZ LYS 92 15.727 -2.055 18.327 725 2HZ LYS 92 2HZ LYS 92 14.434 -1.203 18.934 726 3HZ LYS 92 1HZ LYS 92 14.157 -2.737 18.287 727 H PHE 93 H PHE 93 18.877 -0.031 16.939 728 HA PHE 93 HA PHE 93 21.584 0.934 16.589 729 1HB PHE 93 2HB PHE 93 21.353 1.952 19.147 730 2HB PHE 93 1HB PHE 93 21.138 2.949 17.789 731 HD1 PHE 93 HD1 PHE 93 19.314 0.149 19.549 732 HD2 PHE 93 HD2 PHE 93 19.035 4.227 18.310 733 HE1 PHE 93 HE1 PHE 93 17.123 0.173 20.544 734 HE2 PHE 93 HE2 PHE 93 16.808 4.287 19.383 735 HZ PHE 93 HZ PHE 93 15.820 2.228 20.499 736 H LYS 94 H LYS 94 22.582 1.042 18.759 737 HA LYS 94 HA LYS 94 22.564 0.550 21.036 738 1HB LYS 94 2HB LYS 94 21.740 -2.154 20.052 739 2HB LYS 94 1HB LYS 94 23.322 -2.169 21.075 740 1HG LYS 94 2HG LYS 94 22.306 -0.657 22.645 741 2HG LYS 94 1HG LYS 94 20.948 -0.366 21.765 742 1HD LYS 94 2HD LYS 94 21.611 -3.035 23.149 743 2HD LYS 94 1HD LYS 94 20.503 -1.831 23.749 744 1HE LYS 94 2HE LYS 94 18.915 -3.050 22.670 745 2HE LYS 94 1HE LYS 94 19.598 -2.375 21.129 746 1HZ LYS 94 3HZ LYS 94 21.192 -4.167 21.155 747 2HZ LYS 94 2HZ LYS 94 20.381 -4.925 22.394 748 3HZ LYS 94 1HZ LYS 94 19.568 -4.638 20.923 749 H ARG 95 H ARG 95 24.212 1.695 20.470 750 HA ARG 95 HA ARG 95 26.254 1.148 18.640 751 1HB ARG 95 2HB ARG 95 26.980 2.143 21.381 752 2HB ARG 95 1HB ARG 95 27.658 2.643 19.760 753 1HG ARG 95 2HG ARG 95 25.445 3.860 21.378 754 2HG ARG 95 1HG ARG 95 26.718 4.517 20.446 755 1HD ARG 95 2HD ARG 95 24.142 3.278 19.261 756 2HD ARG 95 1HD ARG 95 24.450 4.924 19.636 757 HE ARG 95 HE ARG 95 25.403 3.643 17.295 758 1HH1 ARG 95 1HH2 ARG 95 26.382 6.190 19.701 759 2HH1 ARG 95 2HH2 ARG 95 27.354 6.971 18.533 760 1HH2 ARG 95 2HH1 ARG 95 26.774 4.913 15.894 761 2HH2 ARG 95 1HH1 ARG 95 27.616 6.338 16.433 762 H VAL 96 H VAL 96 28.579 1.099 19.856 763 HA VAL 96 HA VAL 96 28.839 -1.530 21.242 764 HB VAL 96 HB VAL 96 30.161 0.024 19.090 765 1HG1 VAL 96 1HG1 VAL 96 31.740 -1.441 21.229 766 2HG1 VAL 96 3HG1 VAL 96 32.395 -0.969 19.617 767 3HG1 VAL 96 2HG1 VAL 96 31.906 0.263 20.794 768 1HG2 VAL 96 1HG2 VAL 96 28.958 -2.096 18.633 769 2HG2 VAL 96 3HG2 VAL 96 30.654 -2.230 18.130 770 3HG2 VAL 96 2HG2 VAL 96 30.087 -2.969 19.671 771 H ASP 97 H ASP 97 29.786 1.936 21.076 772 HA ASP 97 HA ASP 97 31.584 2.123 23.245 773 1HB ASP 97 2HB ASP 97 31.016 4.018 22.086 774 2HB ASP 97 1HB ASP 97 29.304 3.841 22.469 775 H ASN 98 H ASN 98 28.150 1.634 23.291 776 HA ASN 98 HA ASN 98 28.185 0.299 25.814 777 1HB ASN 98 2HB ASN 98 28.803 2.396 26.540 778 2HB ASN 98 1HB ASN 98 27.424 3.079 25.792 779 1HD2 ASN 98 1HD2 ASN 98 25.387 2.449 28.699 780 2HD2 ASN 98 2HD2 ASN 98 25.542 3.237 27.148 781 H GLY 99 H GLY 99 26.516 0.722 22.913 782 1HA GLY 99 1HA GLY 99 24.498 0.174 22.184 783 2HA GLY 99 2HA GLY 99 24.143 -0.663 23.581 784 H LYS 100 H LYS 100 24.402 2.531 22.170 785 HA LYS 100 HA LYS 100 22.684 4.139 23.933 786 1HB LYS 100 2HB LYS 100 23.357 4.346 21.069 787 2HB LYS 100 1HB LYS 100 22.345 5.476 21.917 788 1HG LYS 100 2HG LYS 100 25.149 5.743 21.659 789 2HG LYS 100 1HG LYS 100 24.227 6.604 22.917 790 1HD LYS 100 2HD LYS 100 24.560 4.475 24.390 791 2HD LYS 100 1HD LYS 100 25.666 3.932 23.257 792 1HE LYS 100 2HE LYS 100 27.224 5.742 23.592 793 2HE LYS 100 1HE LYS 100 25.989 6.776 24.248 794 1HZ LYS 100 1HZ LYS 100 25.984 4.738 26.039 795 2HZ LYS 100 3HZ LYS 100 27.617 4.958 25.590 796 3HZ LYS 100 2HZ LYS 100 26.737 6.272 26.139 797 H GLU 101 H GLU 101 20.638 5.261 22.718 798 HA GLU 101 HA GLU 101 19.512 3.361 20.816 799 1HB GLU 101 2HB GLU 101 18.118 3.649 23.434 800 2HB GLU 101 1HB GLU 101 17.201 3.290 22.073 801 1HG GLU 101 2HG GLU 101 17.846 1.030 22.555 802 2HG GLU 101 1HG GLU 101 19.211 1.482 21.646 803 H LEU 102 H LEU 102 20.234 5.184 19.778 804 HA LEU 102 HA LEU 102 19.224 7.750 19.420 805 1HB LEU 102 2HB LEU 102 19.913 5.575 17.318 806 2HB LEU 102 1HB LEU 102 19.595 7.271 16.917 807 HG LEU 102 HG LEU 102 21.531 7.471 18.909 808 1HD1 LEU 102 1HD1 LEU 102 21.468 4.723 18.398 809 2HD1 LEU 102 3HD1 LEU 102 22.964 5.284 17.615 810 3HD1 LEU 102 2HD1 LEU 102 22.644 5.621 19.353 811 1HD2 LEU 102 3HD2 LEU 102 21.472 6.823 15.900 812 2HD2 LEU 102 2HD2 LEU 102 21.890 8.427 16.569 813 3HD2 LEU 102 1HD2 LEU 102 23.034 7.034 16.632 814 H ILE 103 H ILE 103 18.105 5.188 17.158 815 HA ILE 103 HA ILE 103 16.205 4.142 17.064 816 HB ILE 103 HB ILE 103 15.504 5.837 19.297 817 1HG1 ILE 103 2HG1 ILE 103 15.076 3.768 19.932 818 2HG1 ILE 103 1HG1 ILE 103 13.533 4.093 19.170 819 1HG2 ILE 103 3HG2 ILE 103 14.191 7.100 17.503 820 2HG2 ILE 103 2HG2 ILE 103 13.141 5.637 17.503 821 3HG2 ILE 103 1HG2 ILE 103 13.434 6.609 18.992 822 1HD1 ILE 103 2HD1 ILE 103 15.798 2.530 17.834 823 2HD1 ILE 103 1HD1 ILE 103 14.459 1.876 18.732 824 3HD1 ILE 103 3HD1 ILE 103 14.099 2.773 17.282 825 H ALA 104 H ALA 104 17.523 6.820 16.163 826 HA ALA 104 HA ALA 104 16.397 8.745 14.951 827 1HB ALA 104 1HB ALA 104 18.759 7.950 14.384 828 2HB ALA 104 3HB ALA 104 18.088 6.673 13.366 829 3HB ALA 104 2HB ALA 104 17.899 8.380 12.884 830 H VAL 105 H VAL 105 14.241 8.227 15.100 831 HA VAL 105 HA VAL 105 12.921 6.454 13.173 832 HB VAL 105 HB VAL 105 11.868 8.742 14.837 833 1HG1 VAL 105 1HG1 VAL 105 10.486 6.793 13.056 834 2HG1 VAL 105 3HG1 VAL 105 9.828 6.700 14.676 835 3HG1 VAL 105 2HG1 VAL 105 9.885 8.275 13.881 836 1HG2 VAL 105 2HG2 VAL 105 12.355 5.862 15.741 837 2HG2 VAL 105 1HG2 VAL 105 12.523 7.447 16.583 838 3HG2 VAL 105 3HG2 VAL 105 10.955 6.748 16.295 839 H ARG 106 H ARG 106 11.293 9.352 13.183 840 HA ARG 106 HA ARG 106 11.858 11.238 11.481 841 1HB ARG 106 2HB ARG 106 12.496 8.888 9.955 842 2HB ARG 106 1HB ARG 106 10.989 9.554 9.277 843 1HG ARG 106 2HG ARG 106 11.810 11.103 8.341 844 2HG ARG 106 1HG ARG 106 12.381 11.876 9.731 845 1HD ARG 106 2HD ARG 106 13.839 10.680 7.558 846 2HD ARG 106 1HD ARG 106 14.498 11.646 8.927 847 HE ARG 106 HE ARG 106 14.628 8.727 8.785 848 1HH1 ARG 106 2HH2 ARG 106 14.949 11.614 10.754 849 2HH1 ARG 106 1HH2 ARG 106 16.000 10.861 11.937 850 1HH2 ARG 106 1HH1 ARG 106 15.867 7.766 10.174 851 2HH2 ARG 106 2HH1 ARG 106 16.527 8.587 11.579 852 H GLU 107 H GLU 107 10.190 8.248 11.893 853 HA GLU 107 HA GLU 107 8.013 7.705 12.450 854 1HB GLU 107 2HB GLU 107 8.721 10.353 13.379 855 2HB GLU 107 1HB GLU 107 6.888 10.099 13.169 856 1HG GLU 107 2HG GLU 107 8.182 7.909 14.555 857 2HG GLU 107 1HG GLU 107 8.660 9.243 15.318 858 H ILE 108 H ILE 108 7.870 11.067 11.558 859 HA ILE 108 HA ILE 108 7.040 12.360 9.956 860 HB ILE 108 HB ILE 108 7.759 10.460 8.511 861 1HG1 ILE 108 2HG1 ILE 108 5.390 12.231 7.757 862 2HG1 ILE 108 1HG1 ILE 108 7.033 12.784 8.055 863 1HG2 ILE 108 2HG2 ILE 108 4.803 9.632 8.856 864 2HG2 ILE 108 1HG2 ILE 108 5.270 9.883 7.184 865 3HG2 ILE 108 3HG2 ILE 108 6.179 8.729 8.181 866 1HD1 ILE 108 2HD1 ILE 108 6.817 10.516 6.087 867 2HD1 ILE 108 1HD1 ILE 108 6.121 12.072 5.500 868 3HD1 ILE 108 3HD1 ILE 108 7.826 11.926 5.951 869 H SER 109 H SER 109 5.182 13.436 9.873 870 HA SER 109 HA SER 109 2.667 12.194 10.305 871 1HB SER 109 2HB SER 109 3.091 11.820 12.564 872 2HB SER 109 1HB SER 109 4.313 13.085 12.656 873 HG SER 109 HG SER 109 1.728 13.195 13.371 874 H GLY 110 H GLY 110 1.938 13.306 8.776 875 1HA GLY 110 1HA GLY 110 0.939 15.181 7.732 876 2HA GLY 110 2HA GLY 110 1.265 16.070 9.302 877 H ASN 111 H ASN 111 2.358 17.963 8.297 878 HA ASN 111 HA ASN 111 4.523 17.199 6.486 879 1HB ASN 111 2HB ASN 111 5.305 19.499 6.509 880 2HB ASN 111 1HB ASN 111 3.850 19.025 5.628 881 1HD2 ASN 111 2HD2 ASN 111 2.434 21.963 7.008 882 2HD2 ASN 111 1HD2 ASN 111 3.022 21.187 5.585 883 H GLU 112 H GLU 112 5.411 15.701 8.204 884 HA GLU 112 HA GLU 112 7.435 17.104 9.910 885 1HB GLU 112 2HB GLU 112 5.381 15.067 10.606 886 2HB GLU 112 1HB GLU 112 6.958 14.602 11.142 887 1HG GLU 112 2HG GLU 112 5.577 15.907 12.887 888 2HG GLU 112 1HG GLU 112 7.190 16.474 12.635 889 H LEU 113 H LEU 113 8.829 15.339 10.754 890 HA LEU 113 HA LEU 113 9.351 12.901 9.574 891 1HB LEU 113 2HB LEU 113 11.131 15.131 8.467 892 2HB LEU 113 1HB LEU 113 11.782 13.547 8.876 893 HG LEU 113 HG LEU 113 9.839 14.117 6.650 894 1HD1 LEU 113 2HD1 LEU 113 12.620 13.087 7.238 895 2HD1 LEU 113 1HD1 LEU 113 11.808 12.194 5.963 896 3HD1 LEU 113 3HD1 LEU 113 12.048 13.977 5.859 897 1HD2 LEU 113 2HD2 LEU 113 10.064 11.624 8.395 898 2HD2 LEU 113 1HD2 LEU 113 8.730 12.271 7.503 899 3HD2 LEU 113 3HD2 LEU 113 9.996 11.368 6.620 900 H ILE 114 H ILE 114 8.907 14.154 11.919 901 HA ILE 114 HA ILE 114 10.652 14.702 13.765 902 HB ILE 114 HB ILE 114 9.400 12.207 14.645 903 1HG1 ILE 114 2HG1 ILE 114 7.998 12.798 12.285 904 2HG1 ILE 114 1HG1 ILE 114 7.553 11.816 13.585 905 1HG2 ILE 114 3HG2 ILE 114 9.828 14.385 15.739 906 2HG2 ILE 114 2HG2 ILE 114 8.146 14.723 15.406 907 3HG2 ILE 114 1HG2 ILE 114 8.522 13.268 16.280 908 1HD1 ILE 114 3HD1 ILE 114 6.936 14.858 13.760 909 2HD1 ILE 114 2HD1 ILE 114 6.057 13.859 12.639 910 3HD1 ILE 114 1HD1 ILE 114 5.945 13.475 14.354 911 H GLN 115 H GLN 115 12.648 14.114 13.149 912 HA GLN 115 HA GLN 115 13.785 11.590 12.454 913 1HB GLN 115 2HB GLN 115 14.571 14.244 13.636 914 2HB GLN 115 1HB GLN 115 15.857 13.012 13.364 915 1HG GLN 115 2HG GLN 115 14.076 13.376 11.001 916 2HG GLN 115 1HG GLN 115 14.734 14.947 11.522 917 1HE2 GLN 115 2HE2 GLN 115 18.205 13.885 11.522 918 2HE2 GLN 115 1HE2 GLN 115 17.090 14.599 12.630 919 H THR 116 H THR 116 12.641 12.839 15.379 920 HA THR 116 HA THR 116 13.085 12.191 17.686 921 HB THR 116 HB THR 116 11.655 9.931 16.310 922 HG1 THR 116 1HG THR 116 10.439 12.270 17.259 923 1HG2 THR 116 2HG2 THR 116 12.156 10.635 19.064 924 2HG2 THR 116 1HG2 THR 116 10.442 11.041 18.817 925 3HG2 THR 116 3HG2 THR 116 11.055 9.387 18.542 926 H TYR 117 H TYR 117 15.552 11.672 17.111 927 HA TYR 117 HA TYR 117 15.718 8.749 17.660 928 1HB TYR 117 2HB TYR 117 18.371 9.635 17.838 929 2HB TYR 117 1HB TYR 117 17.767 8.904 16.510 930 HD1 TYR 117 HD1 TYR 117 16.992 10.380 14.314 931 HD2 TYR 117 HD2 TYR 117 19.253 11.933 17.600 932 HE1 TYR 117 HE1 TYR 117 17.743 12.148 12.897 933 HE2 TYR 117 HE2 TYR 117 20.009 13.727 16.200 934 HH TYR 117 HH TYR 117 19.817 13.729 12.856 935 H THR 118 H THR 118 15.230 8.451 19.542 936 HA THR 118 HA THR 118 15.966 10.098 21.800 937 HB THR 118 HB THR 118 14.448 7.597 22.013 938 HG1 THR 118 1HG THR 118 12.718 8.874 21.638 939 1HG2 THR 118 3HG2 THR 118 15.609 8.990 23.997 940 2HG2 THR 118 2HG2 THR 118 14.586 10.345 23.522 941 3HG2 THR 118 1HG2 THR 118 13.819 8.846 24.138 942 H TYR 119 H TYR 119 18.510 9.148 21.134 943 HA TYR 119 HA TYR 119 19.077 6.544 22.391 944 1HB TYR 119 2HB TYR 119 20.997 6.734 21.493 945 2HB TYR 119 1HB TYR 119 20.572 8.216 20.672 946 HD1 TYR 119 HD1 TYR 119 21.836 6.669 23.788 947 HD2 TYR 119 HD2 TYR 119 21.837 10.239 21.382 948 HE1 TYR 119 HE1 TYR 119 23.599 7.601 25.223 949 HE2 TYR 119 HE2 TYR 119 23.586 11.218 22.786 950 HH TYR 119 HH TYR 119 24.333 10.704 25.368 951 H GLU 120 H GLU 120 18.821 6.200 24.340 952 HA GLU 120 HA GLU 120 18.974 6.315 26.619 953 1HB GLU 120 2HB GLU 120 21.087 6.824 26.910 954 2HB GLU 120 1HB GLU 120 21.062 7.950 25.543 955 1HG GLU 120 2HG GLU 120 21.628 9.458 27.088 956 2HG GLU 120 1HG GLU 120 19.902 9.678 27.083 957 H GLY 121 H GLY 121 17.079 8.206 24.958 958 1HA GLY 121 1HA GLY 121 15.041 9.077 25.916 959 2HA GLY 121 2HA GLY 121 15.773 9.234 27.371 960 H VAL 122 H VAL 122 17.155 10.294 24.298 961 HA VAL 122 HA VAL 122 17.099 13.112 25.266 962 HB VAL 122 HB VAL 122 18.841 11.488 23.355 963 1HG1 VAL 122 3HG1 VAL 122 18.316 13.759 22.221 964 2HG1 VAL 122 2HG1 VAL 122 19.089 14.505 23.609 965 3HG1 VAL 122 1HG1 VAL 122 20.039 13.455 22.532 966 1HG2 VAL 122 2HG2 VAL 122 19.289 11.654 25.879 967 2HG2 VAL 122 1HG2 VAL 122 20.624 12.238 24.879 968 3HG2 VAL 122 3HG2 VAL 122 19.514 13.383 25.713 969 H GLU 123 H GLU 123 17.196 11.572 22.110 970 HA GLU 123 HA GLU 123 15.849 11.697 20.155 971 1HB GLU 123 2HB GLU 123 13.862 12.400 22.035 972 2HB GLU 123 1HB GLU 123 14.238 13.958 21.554 973 1HG GLU 123 2HG GLU 123 13.921 13.227 19.044 974 2HG GLU 123 1HG GLU 123 13.643 11.709 19.588 975 H ALA 124 H ALA 124 16.355 12.758 18.515 976 HA ALA 124 HA ALA 124 16.629 15.671 18.865 977 1HB ALA 124 3HB ALA 124 18.868 13.803 17.949 978 2HB ALA 124 2HB ALA 124 18.913 15.486 17.435 979 3HB ALA 124 1HB ALA 124 18.946 15.033 19.197 980 H LYS 125 H LYS 125 15.605 16.614 17.439 981 HA LYS 125 HA LYS 125 15.398 15.449 14.758 982 1HB LYS 125 2HB LYS 125 12.729 16.296 15.862 983 2HB LYS 125 1HB LYS 125 13.090 14.940 14.858 984 1HG LYS 125 2HG LYS 125 12.584 13.900 17.060 985 2HG LYS 125 1HG LYS 125 14.259 13.997 17.189 986 1HD LYS 125 2HD LYS 125 13.025 14.905 19.109 987 2HD LYS 125 1HD LYS 125 14.111 16.034 18.466 988 1HE LYS 125 2HE LYS 125 12.236 17.378 17.410 989 2HE LYS 125 1HE LYS 125 11.089 16.101 17.835 990 1HZ LYS 125 3HZ LYS 125 12.648 17.514 19.928 991 2HZ LYS 125 2HZ LYS 125 11.105 17.989 19.366 992 3HZ LYS 125 1HZ LYS 125 11.326 16.531 20.125 993 H ARG 126 H ARG 126 13.069 17.316 14.303 994 HA ARG 126 HA ARG 126 12.749 19.739 15.081 995 1HB ARG 126 2HB ARG 126 15.269 19.928 13.546 996 2HB ARG 126 1HB ARG 126 13.969 21.251 13.598 997 1HG ARG 126 2HG ARG 126 14.910 20.118 16.153 998 2HG ARG 126 1HG ARG 126 15.896 21.472 15.334 999 1HD ARG 126 2HD ARG 126 12.959 21.380 16.030 1000 2HD ARG 126 1HD ARG 126 14.244 22.233 16.950 1001 HE ARG 126 HE ARG 126 14.673 23.491 14.758 1002 1HH1 ARG 126 1HH2 ARG 126 11.299 22.442 15.629 1003 2HH1 ARG 126 2HH2 ARG 126 10.700 23.745 14.687 1004 1HH2 ARG 126 2HH1 ARG 126 13.679 25.085 13.627 1005 2HH2 ARG 126 1HH1 ARG 126 11.938 25.184 13.595 1006 H ILE 127 H ILE 127 14.036 17.991 12.343 1007 HA ILE 127 HA ILE 127 12.405 16.865 10.883 1008 HB ILE 127 HB ILE 127 10.955 19.501 11.016 1009 1HG1 ILE 127 2HG1 ILE 127 9.160 17.980 11.478 1010 2HG1 ILE 127 1HG1 ILE 127 10.105 16.592 10.920 1011 1HG2 ILE 127 2HG2 ILE 127 11.173 19.105 8.653 1012 2HG2 ILE 127 1HG2 ILE 127 10.294 17.569 8.899 1013 3HG2 ILE 127 3HG2 ILE 127 9.530 19.168 9.224 1014 1HD1 ILE 127 1HD1 ILE 127 11.569 16.619 12.853 1015 2HD1 ILE 127 3HD1 ILE 127 10.647 17.954 13.640 1016 3HD1 ILE 127 2HD1 ILE 127 9.907 16.411 13.340 1017 H PHE 128 H PHE 128 12.027 16.841 8.851 1018 HA PHE 128 HA PHE 128 14.129 17.036 7.098 1019 1HB PHE 128 2HB PHE 128 12.442 16.688 5.406 1020 2HB PHE 128 1HB PHE 128 11.968 15.661 6.696 1021 HD1 PHE 128 HD1 PHE 128 11.311 19.061 5.197 1022 HD2 PHE 128 HD2 PHE 128 9.644 15.884 7.401 1023 HE1 PHE 128 HE1 PHE 128 9.130 20.157 4.978 1024 HE2 PHE 128 HE2 PHE 128 7.404 16.950 7.176 1025 HZ PHE 128 HZ PHE 128 7.129 19.061 5.986 1026 H LYS 129 H LYS 129 14.332 17.862 5.304 1027 HA LYS 129 HA LYS 129 13.607 20.703 5.133 1028 1HB LYS 129 2HB LYS 129 16.039 20.269 5.622 1029 2HB LYS 129 1HB LYS 129 16.202 20.098 3.854 1030 1HG LYS 129 2HG LYS 129 14.636 22.268 5.353 1031 2HG LYS 129 1HG LYS 129 16.323 22.403 5.150 1032 1HD LYS 129 2HD LYS 129 15.944 23.483 3.163 1033 2HD LYS 129 1HD LYS 129 15.244 22.016 2.476 1034 1HE LYS 129 2HE LYS 129 13.122 23.013 2.618 1035 2HE LYS 129 1HE LYS 129 13.281 23.288 4.303 1036 1HZ LYS 129 3HZ LYS 129 14.695 25.255 3.732 1037 2HZ LYS 129 2HZ LYS 129 14.067 25.141 2.177 1038 3HZ LYS 129 1HZ LYS 129 13.007 25.352 3.498 1039 H LYS 130 H LYS 130 12.870 17.995 4.210 1040 HA LYS 130 HA LYS 130 12.186 16.899 2.206 1041 1HB LYS 130 2HB LYS 130 10.359 16.944 2.919 1042 2HB LYS 130 1HB LYS 130 10.309 18.716 3.327 1043 1HG LYS 130 2HG LYS 130 10.170 17.943 0.478 1044 2HG LYS 130 1HG LYS 130 8.980 17.134 1.384 1045 1HD LYS 130 2HD LYS 130 8.847 19.904 2.263 1046 2HD LYS 130 1HD LYS 130 9.002 19.962 0.523 1047 1HE LYS 130 2HE LYS 130 7.073 18.148 0.507 1048 2HE LYS 130 1HE LYS 130 6.863 18.574 2.228 1049 1HZ LYS 130 3HZ LYS 130 6.709 20.602 0.093 1050 2HZ LYS 130 2HZ LYS 130 5.365 19.737 0.676 1051 3HZ LYS 130 1HZ LYS 130 6.224 20.749 1.700 1052 H GLU 131 H GLU 131 11.647 16.831 0.256 1053 HA GLU 131 HA GLU 131 12.034 19.183 -1.366 1054 1HB GLU 131 2HB GLU 131 14.178 18.224 -0.441 1055 2HB GLU 131 1HB GLU 131 14.177 17.101 -1.342 1056 1HG GLU 131 2HG GLU 131 15.447 19.474 -1.712 1057 2HG GLU 131 1HG GLU 131 15.275 18.342 -3.026 No H/Q in entry = 1057
Contact the webmaster for help, if required. Saturday, May 11, 2024 3:44:04 PM GMT (wattos1)