NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
2124 | 1bfi | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 HT2 GLU 1 96.992 -3.094 -16.766 2 2H GLU 1 HT1 GLU 1 97.914 -4.226 -17.635 3 3H GLU 1 HT3 GLU 1 97.703 -2.656 -18.245 4 HA GLU 1 HA GLU 1 96.120 -3.644 -19.485 5 1HB GLU 1 2HB GLU 1 95.870 -5.627 -17.200 6 2HB GLU 1 3HB GLU 1 94.904 -5.691 -18.677 7 1HG GLU 1 2HG GLU 1 97.011 -5.803 -20.006 8 2HG GLU 1 3HG GLU 1 97.925 -5.860 -18.498 9 H ASP 2 HN ASP 2 93.600 -4.617 -18.392 10 HA ASP 2 HA ASP 2 92.361 -2.087 -17.808 11 1HB ASP 2 2HB ASP 2 91.412 -4.955 -17.600 12 2HB ASP 2 3HB ASP 2 90.365 -3.580 -17.247 13 H LEU 3 HN LEU 3 91.616 -1.293 -15.791 14 HA LEU 3 HA LEU 3 92.978 -2.482 -13.444 15 1HB LEU 3 2HB LEU 3 91.482 0.135 -13.794 16 2HB LEU 3 3HB LEU 3 92.267 -0.373 -12.297 17 HG LEU 3 HG LEU 3 93.719 -0.153 -14.946 18 1HD1 LEU 3 HD12 LEU 3 92.681 2.006 -13.785 19 2HD1 LEU 3 HD11 LEU 3 94.097 1.840 -12.748 20 3HD1 LEU 3 HD13 LEU 3 94.297 2.034 -14.490 21 1HD2 LEU 3 HD22 LEU 3 94.519 -0.658 -12.080 22 2HD2 LEU 3 HD21 LEU 3 94.983 -1.547 -13.529 23 3HD2 LEU 3 HD23 LEU 3 95.669 0.046 -13.215 24 HA PRO 4 HA PRO 4 89.209 -4.456 -12.236 25 1HB PRO 4 2HB PRO 4 89.753 -4.836 -9.583 26 2HB PRO 4 3HB PRO 4 90.478 -5.803 -10.877 27 1HG PRO 4 2HG PRO 4 91.622 -3.524 -9.348 28 2HG PRO 4 3HG PRO 4 92.397 -5.020 -9.898 29 1HD PRO 4 2HD PRO 4 92.708 -2.623 -11.184 30 2HD PRO 4 3HD PRO 4 92.803 -4.188 -12.020 31 H HIS 5 HN HIS 5 90.048 -1.364 -11.329 32 HA HIS 5 HA HIS 5 88.107 -0.816 -9.273 33 1HB HIS 5 2HB HIS 5 89.475 0.970 -11.303 34 2HB HIS 5 3HB HIS 5 88.417 1.581 -10.031 35 HD1 HIS 5 HD1 HIS 5 89.190 0.139 -7.582 36 HD2 HIS 5 HD2 HIS 5 92.066 1.274 -10.379 37 HE1 HIS 5 HE1 HIS 5 91.409 0.135 -6.367 38 H HIS 6 HN HIS 6 87.975 -1.012 -12.768 39 HA HIS 6 HA HIS 6 85.473 0.329 -13.174 40 1HB HIS 6 2HB HIS 6 86.838 -1.909 -14.711 41 2HB HIS 6 3HB HIS 6 85.405 -1.056 -15.289 42 HD1 HIS 6 HD1 HIS 6 85.696 1.496 -15.887 43 HD2 HIS 6 HD2 HIS 6 89.248 -0.447 -14.896 44 HE1 HIS 6 HE1 HIS 6 87.577 3.059 -16.549 45 H ASP 7 HN ASP 7 86.345 -2.736 -11.857 46 HA ASP 7 HA ASP 7 83.625 -3.843 -12.088 47 1HB ASP 7 2HB ASP 7 86.234 -4.910 -11.015 48 2HB ASP 7 3HB ASP 7 84.710 -5.787 -10.851 49 H GLU 8 HN GLU 8 82.150 -3.390 -10.567 50 HA GLU 8 HA GLU 8 82.774 -2.044 -8.104 51 1HB GLU 8 2HB GLU 8 80.589 -1.893 -9.381 52 2HB GLU 8 3HB GLU 8 80.229 -3.530 -8.828 53 1HG GLU 8 2HG GLU 8 80.199 -2.863 -6.544 54 2HG GLU 8 3HG GLU 8 80.924 -1.300 -6.915 55 H LYS 9 HN LYS 9 81.965 -5.384 -8.958 56 HA LYS 9 HA LYS 9 81.774 -6.404 -6.305 57 1HB LYS 9 2HB LYS 9 81.968 -8.602 -7.342 58 2HB LYS 9 3HB LYS 9 80.950 -7.564 -8.341 59 1HG LYS 9 2HG LYS 9 83.631 -7.157 -9.190 60 2HG LYS 9 3HG LYS 9 83.390 -8.897 -9.061 61 1HD LYS 9 2HD LYS 9 82.728 -8.277 -11.283 62 2HD LYS 9 3HD LYS 9 81.246 -8.597 -10.384 63 1HE LYS 9 2HE LYS 9 80.833 -6.243 -10.077 64 2HE LYS 9 3HE LYS 9 82.428 -5.825 -10.704 65 1HZ LYS 9 HZ1 LYS 9 80.285 -7.181 -12.251 66 2HZ LYS 9 HZ3 LYS 9 80.672 -5.531 -12.362 67 3HZ LYS 9 HZ2 LYS 9 81.802 -6.704 -12.846 68 H THR 10 HN THR 10 84.582 -5.548 -8.169 69 HA THR 10 HA THR 10 86.466 -7.300 -6.907 70 HB THR 10 HB THR 10 88.124 -5.436 -7.532 71 HG1 THR 10 HG1 THR 10 85.797 -4.193 -7.859 72 1HG2 THR 10 HG22 THR 10 87.663 -7.448 -8.902 73 2HG2 THR 10 HG21 THR 10 86.330 -6.604 -9.673 74 3HG2 THR 10 HG23 THR 10 87.979 -6.036 -9.905 75 H TRP 11 HN TRP 11 85.202 -4.131 -5.983 76 HA TRP 11 HA TRP 11 86.669 -4.452 -3.399 77 1HB TRP 11 2HB TRP 11 86.101 -1.811 -3.425 78 2HB TRP 11 3HB TRP 11 87.588 -2.475 -4.097 79 HD1 TRP 11 HD1 TRP 11 87.480 -3.106 -6.757 80 HE1 TRP 11 HE1 TRP 11 86.329 -1.871 -8.683 81 HE3 TRP 11 HE3 TRP 11 84.178 -0.272 -4.097 82 HZ2 TRP 11 HZ2 TRP 11 84.285 0.111 -9.049 83 HZ3 TRP 11 HZ3 TRP 11 82.646 1.286 -5.260 84 HH2 TRP 11 HH2 TRP 11 82.692 1.479 -7.730 85 H ASN 12 HN ASN 12 83.623 -4.219 -4.916 86 HA ASN 12 HA ASN 12 82.227 -3.262 -2.499 87 1HB ASN 12 2HB ASN 12 81.545 -2.630 -4.843 88 2HB ASN 12 3HB ASN 12 81.044 -4.305 -5.080 89 1HD2 ASN 12 HD21 ASN 12 78.780 -4.162 -5.048 90 2HD2 ASN 12 HD22 ASN 12 77.886 -3.470 -3.781 91 H VAL 13 HN VAL 13 81.679 -4.651 -0.920 92 HA VAL 13 HA VAL 13 80.788 -7.385 -1.664 93 HB VAL 13 HB VAL 13 82.021 -8.308 0.292 94 1HG1 VAL 13 HG11 VAL 13 82.999 -8.432 -1.973 95 2HG1 VAL 13 HG13 VAL 13 83.775 -6.867 -1.717 96 3HG1 VAL 13 HG12 VAL 13 84.245 -8.257 -0.741 97 1HG2 VAL 13 HG23 VAL 13 83.238 -5.532 0.357 98 2HG2 VAL 13 HG22 VAL 13 82.240 -6.267 1.613 99 3HG2 VAL 13 HG21 VAL 13 83.841 -6.917 1.269 100 H GLY 14 HN GLY 14 79.314 -5.019 -0.997 101 1HA GLY 14 2HA GLY 14 78.533 -4.690 1.663 102 2HA GLY 14 3HA GLY 14 77.428 -4.492 0.306 103 H SER 15 HN SER 15 77.640 -7.305 -0.545 104 HA SER 15 HA SER 15 75.532 -8.409 1.049 105 1HB SER 15 2HB SER 15 75.956 -10.492 -0.201 106 2HB SER 15 3HB SER 15 75.964 -9.107 -1.290 107 HG SER 15 HG SER 15 77.922 -10.873 -0.743 108 H SER 16 HN SER 16 79.039 -8.656 1.191 109 HA SER 16 HA SER 16 79.240 -10.894 2.946 110 1HB SER 16 2HB SER 16 81.175 -9.889 1.737 111 2HB SER 16 3HB SER 16 81.079 -8.479 2.787 112 HG SER 16 HG SER 16 81.080 -10.789 4.198 113 H ASN 17 HN ASN 17 79.078 -11.070 5.162 114 HA ASN 17 HA ASN 17 77.713 -8.912 6.604 115 1HB ASN 17 2HB ASN 17 77.194 -11.368 6.884 116 2HB ASN 17 3HB ASN 17 78.759 -11.545 7.672 117 1HD2 ASN 17 HD22 ASN 17 76.673 -11.014 10.562 118 2HD2 ASN 17 HD21 ASN 17 77.252 -12.236 9.536 119 H ARG 18 HN ARG 18 78.550 -8.196 8.777 120 HA ARG 18 HA ARG 18 81.149 -7.079 8.592 121 1HB ARG 18 2HB ARG 18 79.390 -7.644 10.994 122 2HB ARG 18 3HB ARG 18 80.912 -6.761 11.106 123 1HG ARG 18 2HG ARG 18 80.055 -5.152 9.398 124 2HG ARG 18 3HG ARG 18 78.502 -5.987 9.435 125 1HD ARG 18 2HD ARG 18 78.378 -4.076 10.934 126 2HD ARG 18 3HD ARG 18 78.403 -5.546 11.909 127 HE ARG 18 HE ARG 18 81.080 -4.828 11.672 128 1HH1 ARG 18 HH21 ARG 18 78.167 -3.298 12.721 129 2HH1 ARG 18 HH22 ARG 18 78.966 -2.298 13.888 130 1HH2 ARG 18 HH11 ARG 18 82.125 -3.537 13.187 131 2HH2 ARG 18 HH12 ARG 18 81.204 -2.437 14.157 132 H ASN 19 HN ASN 19 80.067 -10.037 10.290 133 HA ASN 19 HA ASN 19 82.671 -10.711 11.313 134 1HB ASN 19 2HB ASN 19 80.198 -12.345 10.697 135 2HB ASN 19 3HB ASN 19 81.646 -13.055 11.414 136 1HD2 ASN 19 HD22 ASN 19 81.188 -11.390 14.570 137 2HD2 ASN 19 HD21 ASN 19 82.367 -12.063 13.551 138 H LYS 20 HN LYS 20 80.915 -11.581 8.349 139 HA LYS 20 HA LYS 20 82.885 -13.343 7.268 140 1HB LYS 20 2HB LYS 20 80.525 -12.990 6.401 141 2HB LYS 20 3HB LYS 20 81.088 -11.473 5.703 142 1HG LYS 20 2HG LYS 20 81.355 -12.958 3.916 143 2HG LYS 20 3HG LYS 20 82.963 -12.951 4.637 144 1HD LYS 20 2HD LYS 20 82.476 -15.008 5.850 145 2HD LYS 20 3HD LYS 20 80.813 -14.995 5.262 146 1HE LYS 20 2HE LYS 20 81.562 -15.277 2.971 147 2HE LYS 20 3HE LYS 20 83.247 -15.117 3.459 148 1HZ LYS 20 HZ2 LYS 20 82.384 -17.093 5.056 149 2HZ LYS 20 HZ1 LYS 20 81.478 -17.389 3.651 150 3HZ LYS 20 HZ3 LYS 20 83.169 -17.335 3.567 151 H ALA 21 HN ALA 21 82.513 -9.838 7.223 152 HA ALA 21 HA ALA 21 84.515 -9.210 5.308 153 1HB ALA 21 HB1 ALA 21 82.925 -7.811 7.268 154 2HB ALA 21 HB3 ALA 21 84.584 -7.218 7.317 155 3HB ALA 21 HB2 ALA 21 83.677 -7.178 5.804 156 H GLU 22 HN GLU 22 84.755 -9.914 8.786 157 HA GLU 22 HA GLU 22 87.468 -9.159 9.150 158 1HB GLU 22 2HB GLU 22 85.864 -11.389 10.441 159 2HB GLU 22 3HB GLU 22 87.468 -10.895 10.981 160 1HG GLU 22 2HG GLU 22 85.043 -9.081 10.831 161 2HG GLU 22 3HG GLU 22 85.683 -9.800 12.307 162 H ASN 23 HN ASN 23 86.040 -12.248 8.094 163 HA ASN 23 HA ASN 23 88.495 -13.654 7.750 164 1HB ASN 23 2HB ASN 23 85.795 -13.909 6.411 165 2HB ASN 23 3HB ASN 23 87.125 -15.026 6.101 166 1HD2 ASN 23 HD22 ASN 23 86.955 -15.671 9.899 167 2HD2 ASN 23 HD21 ASN 23 88.037 -14.705 9.015 168 H LEU 24 HN LEU 24 86.547 -11.664 5.542 169 HA LEU 24 HA LEU 24 88.249 -11.953 3.250 170 1HB LEU 24 2HB LEU 24 86.330 -9.762 4.095 171 2HB LEU 24 3HB LEU 24 87.141 -9.789 2.529 172 HG LEU 24 HG LEU 24 85.369 -12.009 3.591 173 1HD1 LEU 24 HD12 LEU 24 84.333 -9.698 2.936 174 2HD1 LEU 24 HD11 LEU 24 84.719 -10.184 1.286 175 3HD1 LEU 24 HD13 LEU 24 83.627 -11.167 2.263 176 1HD2 LEU 24 HD21 LEU 24 87.119 -11.647 1.220 177 2HD2 LEU 24 HD23 LEU 24 86.613 -13.132 2.028 178 3HD2 LEU 24 HD22 LEU 24 85.525 -12.327 0.897 179 H LEU 25 HN LEU 25 88.158 -9.644 5.945 180 HA LEU 25 HA LEU 25 90.375 -8.058 4.900 181 1HB LEU 25 2HB LEU 25 88.996 -8.196 7.595 182 2HB LEU 25 3HB LEU 25 90.326 -7.085 7.256 183 HG LEU 25 HG LEU 25 87.928 -7.207 5.434 184 1HD1 LEU 25 HD11 LEU 25 87.486 -6.691 8.033 185 2HD1 LEU 25 HD13 LEU 25 88.055 -5.098 7.538 186 3HD1 LEU 25 HD12 LEU 25 86.651 -5.816 6.750 187 1HD2 LEU 25 HD23 LEU 25 90.105 -5.212 6.078 188 2HD2 LEU 25 HD22 LEU 25 89.765 -5.987 4.531 189 3HD2 LEU 25 HD21 LEU 25 88.665 -4.763 5.165 190 H ARG 26 HN ARG 26 89.952 -10.815 6.974 191 HA ARG 26 HA ARG 26 92.706 -10.816 7.944 192 1HB ARG 26 2HB ARG 26 90.347 -12.673 8.149 193 2HB ARG 26 3HB ARG 26 91.957 -13.217 8.643 194 1HG ARG 26 2HG ARG 26 92.134 -11.231 10.115 195 2HG ARG 26 3HG ARG 26 90.499 -10.768 9.665 196 1HD ARG 26 2HD ARG 26 89.575 -12.739 10.660 197 2HD ARG 26 3HD ARG 26 91.166 -13.460 10.888 198 HE ARG 26 HE ARG 26 89.820 -11.689 12.703 199 1HH1 ARG 26 HH21 ARG 26 92.927 -12.168 11.262 200 2HH1 ARG 26 HH22 ARG 26 93.762 -11.237 12.460 201 1HH2 ARG 26 HH11 ARG 26 90.901 -10.491 14.263 202 2HH2 ARG 26 HH12 ARG 26 92.620 -10.305 14.161 203 H GLY 27 HN GLY 27 94.412 -11.915 7.037 204 1HA GLY 27 2HA GLY 27 95.435 -13.606 5.670 205 2HA GLY 27 3HA GLY 27 93.874 -13.891 4.902 206 H LYS 28 HN LYS 28 93.948 -10.689 4.874 207 HA LYS 28 HA LYS 28 95.067 -10.616 2.139 208 1HB LYS 28 2HB LYS 28 93.367 -8.637 3.684 209 2HB LYS 28 3HB LYS 28 93.901 -8.414 2.019 210 1HG LYS 28 2HG LYS 28 92.302 -10.814 2.945 211 2HG LYS 28 3HG LYS 28 91.573 -9.368 2.243 212 1HD LYS 28 2HD LYS 28 93.471 -9.837 0.391 213 2HD LYS 28 3HD LYS 28 93.193 -11.490 0.937 214 1HE LYS 28 2HE LYS 28 91.069 -9.561 -0.033 215 2HE LYS 28 3HE LYS 28 91.698 -10.937 -0.935 216 1HZ LYS 28 HZ2 LYS 28 90.905 -11.806 1.612 217 2HZ LYS 28 HZ1 LYS 28 89.628 -10.914 0.932 218 3HZ LYS 28 HZ3 LYS 28 90.263 -12.243 0.098 219 H ARG 29 HN ARG 29 96.845 -9.399 1.622 220 HA ARG 29 HA ARG 29 98.615 -8.542 3.736 221 1HB ARG 29 2HB ARG 29 100.087 -7.754 1.945 222 2HB ARG 29 3HB ARG 29 99.451 -9.344 1.526 223 1HG ARG 29 2HG ARG 29 97.590 -8.061 0.275 224 2HG ARG 29 3HG ARG 29 98.634 -6.650 0.429 225 1HD ARG 29 2HD ARG 29 99.538 -7.399 -1.527 226 2HD ARG 29 3HD ARG 29 100.415 -8.517 -0.482 227 HE ARG 29 HE ARG 29 98.028 -9.829 -0.987 228 1HH1 ARG 29 HH21 ARG 29 100.440 -8.287 -2.917 229 2HH1 ARG 29 HH22 ARG 29 100.278 -9.396 -4.238 230 1HH2 ARG 29 HH11 ARG 29 97.796 -11.272 -2.710 231 2HH2 ARG 29 HH12 ARG 29 98.786 -11.085 -4.120 232 H ASP 30 HN ASP 30 99.453 -6.276 3.906 233 HA ASP 30 HA ASP 30 97.345 -4.416 4.387 234 1HB ASP 30 2HB ASP 30 100.307 -3.919 3.935 235 2HB ASP 30 3HB ASP 30 99.177 -2.754 4.625 236 H GLY 31 HN GLY 31 96.532 -2.707 3.117 237 1HA GLY 31 2HA GLY 31 96.765 -1.196 1.164 238 2HA GLY 31 3HA GLY 31 97.597 -2.505 0.325 239 H THR 32 HN THR 32 95.687 -4.527 1.311 240 HA THR 32 HA THR 32 93.710 -4.237 -0.805 241 HB THR 32 HB THR 32 93.901 -6.294 1.424 242 HG1 THR 32 HG1 THR 32 95.548 -6.940 0.326 243 1HG2 THR 32 HG21 THR 32 91.741 -5.890 -0.087 244 2HG2 THR 32 HG23 THR 32 92.683 -6.810 -1.258 245 3HG2 THR 32 HG22 THR 32 92.288 -7.520 0.309 246 H PHE 33 HN PHE 33 91.571 -3.553 -0.567 247 HA PHE 33 HA PHE 33 90.524 -3.277 2.196 248 1HB PHE 33 2HB PHE 33 90.206 -1.019 2.153 249 2HB PHE 33 3HB PHE 33 91.567 -1.059 1.038 250 HD1 PHE 33 HD1 PHE 33 90.631 -1.823 -1.505 251 HD2 PHE 33 HD2 PHE 33 88.509 0.401 1.494 252 HE1 PHE 33 HE1 PHE 33 89.162 -0.828 -3.247 253 HE2 PHE 33 HE2 PHE 33 87.052 1.375 -0.271 254 HZ PHE 33 HZ PHE 33 87.380 0.748 -2.624 255 H LEU 34 HN LEU 34 88.126 -2.900 2.163 256 HA LEU 34 HA LEU 34 86.908 -3.847 -0.393 257 1HB LEU 34 2HB LEU 34 85.543 -5.447 0.781 258 2HB LEU 34 3HB LEU 34 87.204 -5.721 1.299 259 HG LEU 34 HG LEU 34 86.450 -3.862 3.111 260 1HD1 LEU 34 HD13 LEU 34 84.102 -4.225 1.899 261 2HD1 LEU 34 HD12 LEU 34 84.020 -5.587 3.016 262 3HD1 LEU 34 HD11 LEU 34 84.207 -3.945 3.636 263 1HD2 LEU 34 HD22 LEU 34 86.047 -6.868 3.216 264 2HD2 LEU 34 HD21 LEU 34 87.508 -5.984 3.660 265 3HD2 LEU 34 HD23 LEU 34 86.047 -5.823 4.635 266 H VAL 35 HN VAL 35 84.676 -3.206 -0.627 267 HA VAL 35 HA VAL 35 83.924 -0.932 1.153 268 HB VAL 35 HB VAL 35 83.227 -1.437 -1.759 269 1HG1 VAL 35 HG12 VAL 35 81.976 0.199 0.298 270 2HG1 VAL 35 HG11 VAL 35 82.556 1.187 -1.044 271 3HG1 VAL 35 HG13 VAL 35 81.430 -0.136 -1.346 272 1HG2 VAL 35 HG21 VAL 35 85.410 -0.071 -0.432 273 2HG2 VAL 35 HG23 VAL 35 85.158 -0.340 -2.152 274 3HG2 VAL 35 HG22 VAL 35 84.456 1.075 -1.375 275 H ARG 36 HN ARG 36 81.872 -1.038 2.108 276 HA ARG 36 HA ARG 36 79.986 -3.109 1.148 277 1HB ARG 36 2HB ARG 36 79.845 -4.205 3.328 278 2HB ARG 36 3HB ARG 36 81.520 -4.244 2.776 279 1HG ARG 36 2HG ARG 36 81.929 -2.152 4.119 280 2HG ARG 36 3HG ARG 36 80.312 -2.335 4.788 281 1HD ARG 36 2HD ARG 36 82.408 -4.507 4.914 282 2HD ARG 36 3HD ARG 36 82.186 -3.327 6.202 283 HE ARG 36 HE ARG 36 80.651 -5.700 5.827 284 1HH1 ARG 36 HH21 ARG 36 80.183 -2.333 6.480 285 2HH1 ARG 36 HH22 ARG 36 78.549 -2.547 7.016 286 1HH2 ARG 36 HH11 ARG 36 78.550 -5.975 6.542 287 2HH2 ARG 36 HH12 ARG 36 77.626 -4.599 7.044 288 H GLU 37 HN GLU 37 77.895 -2.961 2.530 289 HA GLU 37 HA GLU 37 77.418 -0.075 3.074 290 1HB GLU 37 2HB GLU 37 74.986 -0.828 3.022 291 2HB GLU 37 3HB GLU 37 75.847 -0.979 1.490 292 1HG GLU 37 2HG GLU 37 75.925 -3.292 1.615 293 2HG GLU 37 3HG GLU 37 75.862 -3.302 3.379 294 H SER 38 HN SER 38 75.626 0.153 4.895 295 HA SER 38 HA SER 38 76.760 -1.113 7.285 296 1HB SER 38 2HB SER 38 74.439 0.789 6.841 297 2HB SER 38 3HB SER 38 74.860 0.158 8.432 298 HG SER 38 HG SER 38 77.045 0.991 7.894 299 H SER 39 HN SER 39 75.140 -2.208 4.874 300 HA SER 39 HA SER 39 74.095 -4.263 4.577 301 1HB SER 39 2HB SER 39 73.496 -5.648 6.398 302 2HB SER 39 3HB SER 39 74.883 -4.745 7.000 303 HG SER 39 HG SER 39 72.174 -4.555 7.648 304 H LYS 40 HN LYS 40 72.080 -2.933 7.217 305 HA LYS 40 HA LYS 40 69.822 -2.844 5.284 306 1HB LYS 40 2HB LYS 40 69.879 -2.677 8.308 307 2HB LYS 40 3HB LYS 40 68.414 -2.664 7.323 308 1HG LYS 40 2HG LYS 40 68.976 -4.871 6.419 309 2HG LYS 40 3HG LYS 40 70.474 -4.887 7.350 310 1HD LYS 40 2HD LYS 40 69.106 -4.681 9.442 311 2HD LYS 40 3HD LYS 40 67.652 -4.856 8.455 312 1HE LYS 40 2HE LYS 40 68.469 -7.042 7.643 313 2HE LYS 40 3HE LYS 40 69.910 -6.872 8.644 314 1HZ LYS 40 HZ2 LYS 40 67.124 -6.895 9.673 315 2HZ LYS 40 HZ1 LYS 40 68.175 -8.229 9.692 316 3HZ LYS 40 HZ3 LYS 40 68.545 -6.848 10.604 317 H GLN 41 HN GLN 41 71.844 -0.749 7.253 318 HA GLN 41 HA GLN 41 70.022 1.531 6.898 319 1HB GLN 41 2HB GLN 41 72.802 1.345 8.091 320 2HB GLN 41 3HB GLN 41 71.878 2.843 7.986 321 1HG GLN 41 2HG GLN 41 70.083 1.867 9.324 322 2HG GLN 41 3HG GLN 41 70.925 0.321 9.368 323 1HE2 GLN 41 HE22 GLN 41 71.677 2.359 12.482 324 2HE2 GLN 41 HE21 GLN 41 70.220 1.930 11.724 325 H GLY 42 HN GLY 42 70.510 3.374 5.598 326 1HA GLY 42 2HA GLY 42 71.765 2.711 3.078 327 2HA GLY 42 3HA GLY 42 71.098 4.282 3.512 328 H CYS 43 HN CYS 43 73.280 3.349 5.901 329 HA CYS 43 HA CYS 43 75.214 5.344 4.982 330 1HB CYS 43 2HB CYS 43 74.638 4.990 7.407 331 2HB CYS 43 3HB CYS 43 75.444 3.428 7.319 332 HG CYS 43 HG CYS 43 76.912 6.168 7.001 333 H TYR 44 HN TYR 44 77.310 4.924 4.214 334 HA TYR 44 HA TYR 44 77.835 2.070 3.483 335 1HB TYR 44 2HB TYR 44 78.706 4.639 2.132 336 2HB TYR 44 3HB TYR 44 79.242 3.029 1.648 337 HD1 TYR 44 HD1 TYR 44 77.586 1.363 0.800 338 HD2 TYR 44 HD2 TYR 44 76.513 5.448 1.577 339 HE1 TYR 44 HE1 TYR 44 75.546 1.087 -0.579 340 HE2 TYR 44 HE2 TYR 44 74.468 5.174 0.199 341 HH TYR 44 HH TYR 44 73.001 3.323 -0.577 342 H ALA 45 HN ALA 45 80.169 1.450 3.441 343 HA ALA 45 HA ALA 45 82.091 3.155 4.804 344 1HB ALA 45 HB1 ALA 45 80.762 0.863 6.265 345 2HB ALA 45 HB3 ALA 45 82.362 1.452 6.718 346 3HB ALA 45 HB2 ALA 45 80.969 2.528 6.807 347 H CYS 46 HN CYS 46 84.205 2.337 4.509 348 HA CYS 46 HA CYS 46 84.342 -0.305 3.129 349 1HB CYS 46 2HB CYS 46 86.096 2.123 2.593 350 2HB CYS 46 3HB CYS 46 86.234 0.555 1.784 351 HG CYS 46 HG CYS 46 83.803 0.961 0.804 352 H SER 47 HN SER 47 85.831 -1.707 3.928 353 HA SER 47 HA SER 47 87.327 -0.723 6.305 354 1HB SER 47 2HB SER 47 87.367 -3.044 7.058 355 2HB SER 47 3HB SER 47 85.714 -2.583 6.661 356 HG SER 47 HG SER 47 85.955 -4.438 5.593 357 H VAL 48 HN VAL 48 89.540 -1.046 6.477 358 HA VAL 48 HA VAL 48 90.859 -2.124 4.029 359 HB VAL 48 HB VAL 48 91.800 0.166 5.771 360 1HG1 VAL 48 HG11 VAL 48 93.600 -1.104 4.689 361 2HG1 VAL 48 HG13 VAL 48 92.804 -0.913 3.129 362 3HG1 VAL 48 HG12 VAL 48 93.445 0.499 3.970 363 1HG2 VAL 48 HG23 VAL 48 89.733 0.189 3.907 364 2HG2 VAL 48 HG22 VAL 48 90.640 1.600 4.454 365 3HG2 VAL 48 HG21 VAL 48 91.127 0.756 2.985 366 H VAL 49 HN VAL 49 93.018 -3.000 4.432 367 HA VAL 49 HA VAL 49 93.273 -4.062 7.210 368 HB VAL 49 HB VAL 49 94.342 -5.191 4.616 369 1HG1 VAL 49 HG13 VAL 49 94.640 -5.923 7.508 370 2HG1 VAL 49 HG12 VAL 49 94.643 -7.201 6.294 371 3HG1 VAL 49 HG11 VAL 49 95.857 -5.923 6.232 372 1HG2 VAL 49 HG23 VAL 49 92.084 -6.060 6.442 373 2HG2 VAL 49 HG22 VAL 49 91.906 -5.414 4.813 374 3HG2 VAL 49 HG21 VAL 49 92.666 -6.988 5.060 375 H VAL 50 HN VAL 50 95.088 -3.469 8.345 376 HA VAL 50 HA VAL 50 97.265 -2.154 6.774 377 HB VAL 50 HB VAL 50 95.916 -1.372 9.350 378 1HG1 VAL 50 HG12 VAL 50 98.777 -0.996 8.613 379 2HG1 VAL 50 HG11 VAL 50 97.928 0.413 9.240 380 3HG1 VAL 50 HG13 VAL 50 98.023 -1.057 10.207 381 1HG2 VAL 50 HG21 VAL 50 95.358 -0.508 6.980 382 2HG2 VAL 50 HG23 VAL 50 95.612 0.693 8.245 383 3HG2 VAL 50 HG22 VAL 50 96.892 0.357 7.089 384 H ASP 51 HN ASP 51 99.387 -2.413 7.570 385 HA ASP 51 HA ASP 51 100.181 -4.943 8.405 386 1HB ASP 51 2HB ASP 51 101.683 -3.157 7.468 387 2HB ASP 51 3HB ASP 51 101.637 -2.362 9.041 388 H GLY 52 HN GLY 52 98.671 -2.584 10.234 389 1HA GLY 52 2HA GLY 52 99.697 -3.737 12.779 390 2HA GLY 52 3HA GLY 52 98.877 -2.183 12.641 391 H GLU 53 HN GLU 53 96.575 -2.792 11.238 392 HA GLU 53 HA GLU 53 95.324 -5.181 12.394 393 1HB GLU 53 2HB GLU 53 94.606 -2.424 13.418 394 2HB GLU 53 3HB GLU 53 93.596 -3.849 13.659 395 1HG GLU 53 2HG GLU 53 95.672 -4.954 14.684 396 2HG GLU 53 3HG GLU 53 96.380 -3.336 14.716 397 H VAL 54 HN VAL 54 92.821 -5.001 12.035 398 HA VAL 54 HA VAL 54 92.401 -4.155 9.227 399 HB VAL 54 HB VAL 54 90.729 -5.758 11.189 400 1HG1 VAL 54 HG11 VAL 54 90.109 -4.968 8.326 401 2HG1 VAL 54 HG13 VAL 54 89.173 -6.107 9.295 402 3HG1 VAL 54 HG12 VAL 54 89.251 -4.411 9.764 403 1HG2 VAL 54 HG21 VAL 54 92.252 -6.422 8.654 404 2HG2 VAL 54 HG23 VAL 54 92.557 -7.040 10.279 405 3HG2 VAL 54 HG22 VAL 54 91.103 -7.528 9.409 406 H LYS 55 HN LYS 55 91.138 -2.357 8.720 407 HA LYS 55 HA LYS 55 89.904 -0.951 11.058 408 1HB LYS 55 2HB LYS 55 91.284 0.130 8.604 409 2HB LYS 55 3HB LYS 55 90.279 1.142 9.642 410 1HG LYS 55 2HG LYS 55 92.219 1.469 10.792 411 2HG LYS 55 3HG LYS 55 91.851 -0.102 11.501 412 1HD LYS 55 2HD LYS 55 93.120 -1.134 9.543 413 2HD LYS 55 3HD LYS 55 93.680 0.498 9.178 414 1HE LYS 55 2HE LYS 55 94.637 -1.328 11.208 415 2HE LYS 55 3HE LYS 55 95.313 0.220 10.715 416 1HZ LYS 55 HZ3 LYS 55 93.588 1.295 12.112 417 2HZ LYS 55 HZ2 LYS 55 93.146 -0.243 12.685 418 3HZ LYS 55 HZ1 LYS 55 94.701 0.371 12.991 419 H HIS 56 HN HIS 56 88.048 0.437 10.559 420 HA HIS 56 HA HIS 56 86.439 -0.574 8.252 421 1HB HIS 56 2HB HIS 56 85.625 -0.052 11.111 422 2HB HIS 56 3HB HIS 56 84.440 -0.096 9.805 423 HD1 HIS 56 HD1 HIS 56 86.386 -2.395 8.357 424 HD2 HIS 56 HD2 HIS 56 84.416 -2.561 12.029 425 HE1 HIS 56 HE1 HIS 56 86.128 -4.850 8.924 426 H CYS 57 HN CYS 57 87.421 1.404 7.193 427 HA CYS 57 HA CYS 57 86.913 4.049 8.140 428 1HB CYS 57 2HB CYS 57 87.264 2.986 5.319 429 2HB CYS 57 3HB CYS 57 87.227 4.701 5.723 430 HG CYS 57 HG CYS 57 89.729 3.551 5.716 431 H VAL 58 HN VAL 58 85.200 5.498 7.700 432 HA VAL 58 HA VAL 58 82.670 4.145 6.890 433 HB VAL 58 HB VAL 58 82.914 5.271 9.182 434 1HG1 VAL 58 HG12 VAL 58 84.092 7.295 8.177 435 2HG1 VAL 58 HG11 VAL 58 82.526 7.783 7.533 436 3HG1 VAL 58 HG13 VAL 58 82.766 7.670 9.277 437 1HG2 VAL 58 HG21 VAL 58 80.749 4.810 7.701 438 2HG2 VAL 58 HG23 VAL 58 80.633 5.740 9.193 439 3HG2 VAL 58 HG22 VAL 58 80.695 6.573 7.640 440 H ILE 59 HN ILE 59 81.500 4.860 5.173 441 HA ILE 59 HA ILE 59 82.319 7.423 3.885 442 HB ILE 59 HB ILE 59 81.487 4.855 2.476 443 1HG1 ILE 59 HG12 ILE 59 84.127 6.360 2.551 444 2HG1 ILE 59 HG11 ILE 59 83.807 4.820 3.352 445 1HG2 ILE 59 HG22 ILE 59 80.816 7.205 1.538 446 2HG2 ILE 59 HG21 ILE 59 82.535 7.354 1.174 447 3HG2 ILE 59 HG23 ILE 59 81.598 6.052 0.453 448 1HD1 ILE 59 HD13 ILE 59 83.134 3.970 1.000 449 2HD1 ILE 59 HD12 ILE 59 83.968 5.401 0.398 450 3HD1 ILE 59 HD11 ILE 59 84.852 4.193 1.331 451 H ASN 60 HN ASN 60 80.505 8.736 3.251 452 HA ASN 60 HA ASN 60 77.822 7.492 3.648 453 1HB ASN 60 2HB ASN 60 78.594 8.523 5.802 454 2HB ASN 60 3HB ASN 60 78.630 10.085 4.980 455 1HD2 ASN 60 HD22 ASN 60 75.277 10.136 6.333 456 2HD2 ASN 60 HD21 ASN 60 76.877 10.492 6.765 457 H LYS 61 HN LYS 61 76.618 7.979 1.888 458 HA LYS 61 HA LYS 61 77.296 10.390 0.307 459 1HB LYS 61 2HB LYS 61 75.398 8.099 -0.279 460 2HB LYS 61 3HB LYS 61 75.796 9.409 -1.394 461 1HG LYS 61 2HG LYS 61 78.277 8.687 -0.907 462 2HG LYS 61 3HG LYS 61 77.533 7.163 -0.422 463 1HD LYS 61 2HD LYS 61 77.008 8.515 -3.081 464 2HD LYS 61 3HD LYS 61 78.214 7.252 -2.846 465 1HE LYS 61 2HE LYS 61 76.284 6.096 -3.598 466 2HE LYS 61 3HE LYS 61 76.304 5.844 -1.854 467 1HZ LYS 61 HZ1 LYS 61 74.900 8.210 -2.808 468 2HZ LYS 61 HZ3 LYS 61 74.178 6.718 -3.162 469 3HZ LYS 61 HZ2 LYS 61 74.500 7.138 -1.549 470 H THR 62 HN THR 62 76.210 12.235 0.673 471 HA THR 62 HA THR 62 73.310 12.096 1.342 472 HB THR 62 HB THR 62 75.345 13.805 2.816 473 HG1 THR 62 HG1 THR 62 75.004 11.403 3.226 474 1HG2 THR 62 HG23 THR 62 72.395 13.831 2.606 475 2HG2 THR 62 HG22 THR 62 73.035 13.914 4.248 476 3HG2 THR 62 HG21 THR 62 73.504 15.126 3.056 477 H ALA 63 HN ALA 63 72.272 14.350 0.982 478 HA ALA 63 HA ALA 63 72.585 15.337 -1.560 479 1HB ALA 63 HB1 ALA 63 70.997 16.171 0.338 480 2HB ALA 63 HB3 ALA 63 72.285 17.322 0.696 481 3HB ALA 63 HB2 ALA 63 71.507 17.334 -0.887 482 H THR 64 HN THR 64 74.597 16.051 1.229 483 HA THR 64 HA THR 64 76.656 17.159 -0.613 484 HB THR 64 HB THR 64 75.885 18.386 2.054 485 HG1 THR 64 HG1 THR 64 74.734 19.756 0.943 486 1HG2 THR 64 HG22 THR 64 78.275 18.485 0.496 487 2HG2 THR 64 HG21 THR 64 77.491 20.063 0.396 488 3HG2 THR 64 HG23 THR 64 77.893 19.374 1.969 489 H GLY 65 HN GLY 65 76.516 14.511 0.541 490 1HA GLY 65 2HA GLY 65 78.967 14.620 2.241 491 2HA GLY 65 3HA GLY 65 77.589 13.672 2.799 492 H TYR 66 HN TYR 66 80.170 12.585 2.221 493 HA TYR 66 HA TYR 66 79.448 10.394 0.470 494 1HB TYR 66 2HB TYR 66 81.544 12.369 -0.473 495 2HB TYR 66 3HB TYR 66 81.287 10.773 -1.176 496 HD1 TYR 66 HD1 TYR 66 79.196 10.241 -2.370 497 HD2 TYR 66 HD2 TYR 66 80.002 14.189 -0.882 498 HE1 TYR 66 HE1 TYR 66 77.381 11.147 -3.796 499 HE2 TYR 66 HE2 TYR 66 78.187 15.096 -2.308 500 HH TYR 66 HH TYR 66 76.295 12.956 -4.452 501 H GLY 67 HN GLY 67 81.334 11.894 2.813 502 1HA GLY 67 2HA GLY 67 82.590 10.510 4.418 503 2HA GLY 67 3HA GLY 67 83.032 9.448 3.076 504 H PHE 68 HN PHE 68 84.332 10.525 1.304 505 HA PHE 68 HA PHE 68 86.401 12.285 2.525 506 1HB PHE 68 2HB PHE 68 86.335 10.637 -0.023 507 2HB PHE 68 3HB PHE 68 87.663 11.717 0.394 508 HD1 PHE 68 HD1 PHE 68 85.795 8.688 1.472 509 HD2 PHE 68 HD2 PHE 68 89.314 11.090 2.006 510 HE1 PHE 68 HE1 PHE 68 86.811 6.892 2.853 511 HE2 PHE 68 HE2 PHE 68 90.329 9.299 3.389 512 HZ PHE 68 HZ PHE 68 89.081 7.198 3.809 513 H ALA 69 HN ALA 69 85.883 14.450 2.232 514 HA ALA 69 HA ALA 69 85.736 15.629 -0.349 515 1HB ALA 69 HB3 ALA 69 83.141 14.709 0.809 516 2HB ALA 69 HB2 ALA 69 83.166 16.286 0.017 517 3HB ALA 69 HB1 ALA 69 83.636 14.839 -0.876 518 H GLU 70 HN GLU 70 86.979 17.217 0.603 519 HA GLU 70 HA GLU 70 85.633 18.899 2.682 520 1HB GLU 70 2HB GLU 70 88.588 18.400 2.197 521 2HB GLU 70 3HB GLU 70 87.953 19.559 3.362 522 1HG GLU 70 2HG GLU 70 87.367 16.582 3.383 523 2HG GLU 70 3HG GLU 70 88.531 17.396 4.431 524 HA PRO 71 HA PRO 71 85.447 22.437 0.055 525 1HB PRO 71 2HB PRO 71 87.599 23.592 1.795 526 2HB PRO 71 3HB PRO 71 86.087 24.333 1.235 527 1HG PRO 71 2HG PRO 71 86.423 23.287 3.723 528 2HG PRO 71 3HG PRO 71 84.861 23.405 2.900 529 1HD PRO 71 2HD PRO 71 86.361 21.005 3.582 530 2HD PRO 71 3HD PRO 71 84.726 21.132 2.904 531 H TYR 72 HN TYR 72 88.714 21.460 1.098 532 HA TYR 72 HA TYR 72 90.036 22.502 -1.249 533 1HB TYR 72 2HB TYR 72 91.245 22.040 0.855 534 2HB TYR 72 3HB TYR 72 90.894 20.319 0.679 535 HD1 TYR 72 HD1 TYR 72 92.785 23.175 -0.693 536 HD2 TYR 72 HD2 TYR 72 92.046 18.953 -0.960 537 HE1 TYR 72 HE1 TYR 72 94.775 22.921 -2.151 538 HE2 TYR 72 HE2 TYR 72 94.038 18.697 -2.421 539 HH TYR 72 HH TYR 72 96.407 20.536 -2.641 540 H ASN 73 HN ASN 73 88.841 19.263 -0.311 541 HA ASN 73 HA ASN 73 89.034 18.468 -3.193 542 1HB ASN 73 2HB ASN 73 89.458 16.171 -2.484 543 2HB ASN 73 3HB ASN 73 90.650 17.234 -1.738 544 1HD2 ASN 73 HD22 ASN 73 89.553 15.190 1.084 545 2HD2 ASN 73 HD21 ASN 73 90.599 15.108 -0.253 546 H LEU 74 HN LEU 74 87.199 17.408 -4.067 547 HA LEU 74 HA LEU 74 84.944 16.785 -2.248 548 1HB LEU 74 2HB LEU 74 84.785 18.734 -4.565 549 2HB LEU 74 3HB LEU 74 83.377 18.064 -3.741 550 HG LEU 74 HG LEU 74 85.584 19.595 -2.335 551 1HD1 LEU 74 HD12 LEU 74 84.334 21.025 -3.943 552 2HD1 LEU 74 HD11 LEU 74 82.823 20.534 -3.177 553 3HD1 LEU 74 HD13 LEU 74 84.004 21.474 -2.268 554 1HD2 LEU 74 HD21 LEU 74 83.071 18.213 -1.529 555 2HD2 LEU 74 HD23 LEU 74 84.566 18.449 -0.622 556 3HD2 LEU 74 HD22 LEU 74 83.397 19.764 -0.756 557 H TYR 75 HN TYR 75 84.973 14.618 -2.804 558 HA TYR 75 HA TYR 75 85.221 13.755 -5.585 559 1HB TYR 75 2HB TYR 75 84.597 12.284 -3.016 560 2HB TYR 75 3HB TYR 75 84.761 11.486 -4.583 561 HD1 TYR 75 HD2 TYR 75 86.539 13.377 -1.946 562 HD2 TYR 75 HD1 TYR 75 86.904 11.309 -5.694 563 HE1 TYR 75 HE2 TYR 75 89.010 13.384 -1.714 564 HE2 TYR 75 HE1 TYR 75 89.374 11.320 -5.460 565 HH TYR 75 HH TYR 75 90.934 12.190 -2.519 566 H SER 76 HN SER 76 83.579 13.422 -6.992 567 HA SER 76 HA SER 76 80.821 13.919 -6.066 568 1HB SER 76 2HB SER 76 82.096 13.678 -8.788 569 2HB SER 76 3HB SER 76 80.348 13.747 -8.581 570 HG SER 76 HG SER 76 80.574 15.815 -8.365 571 H SER 77 HN SER 77 82.729 11.227 -7.436 572 HA SER 77 HA SER 77 80.337 9.500 -6.911 573 1HB SER 77 2HB SER 77 82.331 9.192 -9.174 574 2HB SER 77 3HB SER 77 81.025 8.071 -8.808 575 HG SER 77 HG SER 77 80.753 10.824 -9.465 576 H LEU 78 HN LEU 78 80.817 7.298 -6.285 577 HA LEU 78 HA LEU 78 83.004 7.091 -4.420 578 1HB LEU 78 2HB LEU 78 81.157 4.972 -5.564 579 2HB LEU 78 3HB LEU 78 82.274 4.704 -4.224 580 HG LEU 78 HG LEU 78 80.037 6.751 -4.272 581 1HD1 LEU 78 HD12 LEU 78 80.130 3.947 -3.532 582 2HD1 LEU 78 HD11 LEU 78 79.737 4.949 -2.135 583 3HD1 LEU 78 HD13 LEU 78 78.744 5.035 -3.591 584 1HD2 LEU 78 HD21 LEU 78 82.318 6.181 -2.428 585 2HD2 LEU 78 HD23 LEU 78 81.577 7.725 -2.850 586 3HD2 LEU 78 HD22 LEU 78 80.774 6.643 -1.712 587 H LYS 79 HN LYS 79 82.576 6.135 -7.763 588 HA LYS 79 HA LYS 79 84.703 4.261 -8.003 589 1HB LYS 79 2HB LYS 79 83.565 6.282 -9.962 590 2HB LYS 79 3HB LYS 79 84.747 5.057 -10.418 591 1HG LYS 79 2HG LYS 79 83.218 3.269 -9.785 592 2HG LYS 79 3HG LYS 79 82.059 4.438 -9.147 593 1HD LYS 79 2HD LYS 79 81.841 5.431 -11.417 594 2HD LYS 79 3HD LYS 79 82.944 4.207 -12.042 595 1HE LYS 79 2HE LYS 79 81.381 2.431 -11.352 596 2HE LYS 79 3HE LYS 79 80.280 3.645 -10.700 597 1HZ LYS 79 HZ3 LYS 79 80.531 4.609 -13.113 598 2HZ LYS 79 HZ2 LYS 79 80.895 2.994 -13.489 599 3HZ LYS 79 HZ1 LYS 79 79.406 3.384 -12.770 600 H GLU 80 HN GLU 80 84.648 7.811 -8.243 601 HA GLU 80 HA GLU 80 87.469 8.099 -8.794 602 1HB GLU 80 2HB GLU 80 85.766 9.878 -9.246 603 2HB GLU 80 3HB GLU 80 85.581 10.097 -7.504 604 1HG GLU 80 2HG GLU 80 87.164 11.747 -8.140 605 2HG GLU 80 3HG GLU 80 88.134 10.439 -7.459 606 H LEU 81 HN LEU 81 85.509 7.939 -5.858 607 HA LEU 81 HA LEU 81 87.475 8.760 -3.963 608 1HB LEU 81 2HB LEU 81 85.081 8.400 -3.406 609 2HB LEU 81 3HB LEU 81 85.293 6.668 -3.651 610 HG LEU 81 HG LEU 81 87.108 8.091 -1.724 611 1HD1 LEU 81 HD11 LEU 81 84.184 7.597 -1.401 612 2HD1 LEU 81 HD13 LEU 81 85.225 7.209 -0.033 613 3HD1 LEU 81 HD12 LEU 81 85.196 8.849 -0.681 614 1HD2 LEU 81 HD22 LEU 81 85.967 5.312 -2.057 615 2HD2 LEU 81 HD21 LEU 81 87.660 5.797 -2.024 616 3HD2 LEU 81 HD23 LEU 81 86.707 5.823 -0.543 617 H VAL 82 HN VAL 82 86.641 5.502 -5.163 618 HA VAL 82 HA VAL 82 88.628 4.108 -3.684 619 HB VAL 82 HB VAL 82 87.368 3.431 -6.360 620 1HG1 VAL 82 HG13 VAL 82 89.608 2.236 -5.234 621 2HG1 VAL 82 HG12 VAL 82 88.283 1.229 -4.657 622 3HG1 VAL 82 HG11 VAL 82 88.510 1.476 -6.387 623 1HG2 VAL 82 HG21 VAL 82 86.731 2.666 -3.499 624 2HG2 VAL 82 HG23 VAL 82 85.739 3.657 -4.567 625 3HG2 VAL 82 HG22 VAL 82 85.966 1.943 -4.914 626 H LEU 83 HN LEU 83 88.752 5.546 -6.955 627 HA LEU 83 HA LEU 83 91.376 4.615 -7.569 628 1HB LEU 83 2HB LEU 83 89.880 7.068 -8.534 629 2HB LEU 83 3HB LEU 83 91.407 6.511 -9.220 630 HG LEU 83 HG LEU 83 88.943 4.761 -9.010 631 1HD1 LEU 83 HD13 LEU 83 89.885 6.623 -11.186 632 2HD1 LEU 83 HD12 LEU 83 88.981 5.165 -11.591 633 3HD1 LEU 83 HD11 LEU 83 88.253 6.392 -10.553 634 1HD2 LEU 83 HD21 LEU 83 91.729 4.392 -9.822 635 2HD2 LEU 83 HD23 LEU 83 90.494 3.182 -9.483 636 3HD2 LEU 83 HD22 LEU 83 90.597 3.909 -11.086 637 H HIS 84 HN HIS 84 90.373 7.803 -6.233 638 HA HIS 84 HA HIS 84 93.112 8.659 -5.859 639 1HB HIS 84 2HB HIS 84 91.203 10.233 -6.103 640 2HB HIS 84 3HB HIS 84 90.597 9.707 -4.533 641 HD1 HIS 84 HD1 HIS 84 91.923 10.444 -2.423 642 HD2 HIS 84 HD2 HIS 84 93.509 11.928 -5.985 643 HE1 HIS 84 HE1 HIS 84 93.580 12.245 -1.776 644 H TYR 85 HN TYR 85 90.729 7.083 -3.749 645 HA TYR 85 HA TYR 85 92.134 7.382 -1.287 646 1HB TYR 85 2HB TYR 85 89.761 6.495 -1.635 647 2HB TYR 85 3HB TYR 85 90.494 4.968 -2.098 648 HD1 TYR 85 HD2 TYR 85 90.994 7.504 0.634 649 HD2 TYR 85 HD1 TYR 85 90.519 3.367 -0.416 650 HE1 TYR 85 HE2 TYR 85 91.165 6.878 3.024 651 HE2 TYR 85 HE1 TYR 85 90.700 2.740 1.975 652 HH TYR 85 HH TYR 85 91.041 3.460 4.047 653 H GLN 86 HN GLN 86 92.795 5.456 -4.079 654 HA GLN 86 HA GLN 86 94.553 3.551 -2.680 655 1HB GLN 86 2HB GLN 86 93.482 2.817 -4.775 656 2HB GLN 86 3HB GLN 86 94.189 4.175 -5.643 657 1HG GLN 86 2HG GLN 86 96.240 2.698 -4.219 658 2HG GLN 86 3HG GLN 86 95.329 1.629 -5.285 659 1HE2 GLN 86 HE22 GLN 86 97.436 2.726 -7.892 660 2HE2 GLN 86 HE21 GLN 86 96.901 1.420 -6.949 661 H HIS 87 HN HIS 87 94.798 6.689 -4.183 662 HA HIS 87 HA HIS 87 97.761 6.543 -4.086 663 1HB HIS 87 2HB HIS 87 96.640 7.474 -6.123 664 2HB HIS 87 3HB HIS 87 95.994 8.779 -5.129 665 HD1 HIS 87 HD1 HIS 87 99.389 7.255 -5.982 666 HD2 HIS 87 HD2 HIS 87 97.721 10.935 -4.956 667 HE1 HIS 87 HE1 HIS 87 101.261 8.956 -6.134 668 H THR 88 HN THR 88 95.182 7.421 -2.131 669 HA THR 88 HA THR 88 96.686 9.582 -0.753 670 HB THR 88 HB THR 88 93.929 8.474 -0.154 671 HG1 THR 88 HG1 THR 88 94.187 9.406 -2.273 672 1HG2 THR 88 HG23 THR 88 95.609 10.732 0.844 673 2HG2 THR 88 HG22 THR 88 93.865 10.972 0.745 674 3HG2 THR 88 HG21 THR 88 94.521 9.667 1.735 675 H SER 89 HN SER 89 97.557 9.282 1.294 676 HA SER 89 HA SER 89 97.795 6.487 2.196 677 1HB SER 89 2HB SER 89 99.811 7.874 2.181 678 2HB SER 89 3HB SER 89 99.035 9.055 3.232 679 HG SER 89 HG SER 89 100.433 7.449 4.278 680 H LEU 90 HN LEU 90 96.639 5.650 3.864 681 HA LEU 90 HA LEU 90 94.508 7.184 5.087 682 1HB LEU 90 2HB LEU 90 95.618 4.414 5.495 683 2HB LEU 90 3HB LEU 90 94.398 5.064 6.586 684 HG LEU 90 HG LEU 90 92.951 5.534 4.589 685 1HD1 LEU 90 HD12 LEU 90 95.116 3.950 3.164 686 2HD1 LEU 90 HD11 LEU 90 93.532 4.316 2.481 687 3HD1 LEU 90 HD13 LEU 90 94.656 5.623 2.847 688 1HD2 LEU 90 HD23 LEU 90 93.833 2.807 5.445 689 2HD2 LEU 90 HD22 LEU 90 92.276 3.603 5.672 690 3HD2 LEU 90 HD21 LEU 90 92.704 2.928 4.098 691 H VAL 91 HN VAL 91 97.836 6.699 5.861 692 HA VAL 91 HA VAL 91 98.101 6.667 8.584 693 HB VAL 91 HB VAL 91 100.028 7.035 7.123 694 1HG1 VAL 91 HG12 VAL 91 98.775 8.679 5.628 695 2HG1 VAL 91 HG11 VAL 91 99.101 9.906 6.853 696 3HG1 VAL 91 HG13 VAL 91 100.439 9.118 6.014 697 1HG2 VAL 91 HG21 VAL 91 99.548 8.322 9.604 698 2HG2 VAL 91 HG23 VAL 91 101.110 7.897 8.906 699 3HG2 VAL 91 HG22 VAL 91 100.411 9.488 8.603 700 H GLN 92 HN GLN 92 97.002 9.503 6.726 701 HA GLN 92 HA GLN 92 96.906 11.416 8.738 702 1HB GLN 92 2HB GLN 92 96.178 11.750 6.357 703 2HB GLN 92 3HB GLN 92 94.659 10.951 6.769 704 1HG GLN 92 2HG GLN 92 94.213 12.626 8.496 705 2HG GLN 92 3HG GLN 92 95.752 13.417 8.148 706 1HE2 GLN 92 HE22 GLN 92 92.911 15.028 6.209 707 2HE2 GLN 92 HE21 GLN 92 93.074 14.631 7.851 708 H HIS 93 HN HIS 93 94.800 8.618 8.365 709 HA HIS 93 HA HIS 93 92.964 9.582 10.445 710 1HB HIS 93 2HB HIS 93 93.196 6.912 9.024 711 2HB HIS 93 3HB HIS 93 91.925 7.318 10.179 712 HD1 HIS 93 HD1 HIS 93 90.216 9.152 9.484 713 HD2 HIS 93 HD2 HIS 93 92.907 8.134 6.468 714 HE1 HIS 93 HE1 HIS 93 89.315 10.170 7.352 715 H ASN 94 HN ASN 94 93.197 9.186 12.594 716 HA ASN 94 HA ASN 94 94.180 8.429 14.583 717 1HB ASN 94 2HB ASN 94 94.606 5.966 12.856 718 2HB ASN 94 3HB ASN 94 94.910 6.019 14.590 719 1HD2 ASN 94 HD22 ASN 94 91.233 5.144 13.451 720 2HD2 ASN 94 HD21 ASN 94 92.637 4.904 12.525 721 H ASP 95 HN ASP 95 95.762 9.367 11.968 722 HA ASP 95 HA ASP 95 98.021 9.759 11.407 723 1HB ASP 95 2HB ASP 95 97.626 11.201 13.436 724 2HB ASP 95 3HB ASP 95 98.270 9.892 14.426 725 H SER 96 HN SER 96 97.291 6.953 11.707 726 HA SER 96 HA SER 96 100.007 5.911 12.063 727 1HB SER 96 2HB SER 96 97.734 4.944 13.820 728 2HB SER 96 3HB SER 96 99.333 4.209 13.728 729 HG SER 96 HG SER 96 98.731 6.878 14.502 730 H LEU 97 HN LEU 97 97.520 6.073 10.153 731 HA LEU 97 HA LEU 97 97.349 3.145 9.602 732 1HB LEU 97 2HB LEU 97 95.725 5.461 8.504 733 2HB LEU 97 3HB LEU 97 95.489 3.766 8.076 734 HG LEU 97 HG LEU 97 95.215 4.970 10.845 735 1HD1 LEU 97 HD12 LEU 97 93.397 4.752 8.684 736 2HD1 LEU 97 HD11 LEU 97 92.940 3.504 9.843 737 3HD1 LEU 97 HD13 LEU 97 93.028 5.188 10.354 738 1HD2 LEU 97 HD22 LEU 97 95.328 2.167 9.811 739 2HD2 LEU 97 HD21 LEU 97 95.999 2.828 11.301 740 3HD2 LEU 97 HD23 LEU 97 94.268 2.522 11.172 741 H ASN 98 HN ASN 98 99.633 3.367 8.907 742 HA ASN 98 HA ASN 98 100.182 4.912 6.502 743 1HB ASN 98 2HB ASN 98 101.831 4.377 8.334 744 2HB ASN 98 3HB ASN 98 101.846 2.713 7.748 745 1HD2 ASN 98 HD22 ASN 98 102.997 5.216 4.748 746 2HD2 ASN 98 HD21 ASN 98 101.442 5.318 5.423 747 H VAL 99 HN VAL 99 98.582 4.051 5.068 748 HA VAL 99 HA VAL 99 99.539 1.809 3.499 749 HB VAL 99 HB VAL 99 98.275 0.744 5.450 750 1HG1 VAL 99 HG13 VAL 99 96.474 2.420 5.575 751 2HG1 VAL 99 HG12 VAL 99 95.925 1.961 3.965 752 3HG1 VAL 99 HG11 VAL 99 95.810 0.813 5.292 753 1HG2 VAL 99 HG23 VAL 99 97.475 0.313 2.570 754 2HG2 VAL 99 HG22 VAL 99 98.641 -0.603 3.521 755 3HG2 VAL 99 HG21 VAL 99 96.919 -0.744 3.865 756 H THR 100 HN THR 100 98.118 1.489 1.598 757 HA THR 100 HA THR 100 96.301 3.792 1.035 758 HB THR 100 HB THR 100 97.305 3.983 -1.208 759 HG1 THR 100 HG1 THR 100 99.018 1.976 -0.183 760 1HG2 THR 100 HG22 THR 100 98.692 4.555 1.290 761 2HG2 THR 100 HG21 THR 100 99.806 4.397 -0.065 762 3HG2 THR 100 HG23 THR 100 98.491 5.569 -0.136 763 H LEU 101 HN LEU 101 94.393 3.075 0.093 764 HA LEU 101 HA LEU 101 93.810 0.320 -0.139 765 1HB LEU 101 2HB LEU 101 91.815 1.387 -0.313 766 2HB LEU 101 3HB LEU 101 92.572 2.860 -0.906 767 HG LEU 101 HG LEU 101 92.518 2.094 -3.143 768 1HD1 LEU 101 HD12 LEU 101 92.450 -0.545 -1.914 769 2HD1 LEU 101 HD11 LEU 101 91.247 -0.385 -3.185 770 3HD1 LEU 101 HD13 LEU 101 92.941 -0.097 -3.549 771 1HD2 LEU 101 HD21 LEU 101 90.038 1.571 -1.574 772 2HD2 LEU 101 HD23 LEU 101 90.394 2.895 -2.678 773 3HD2 LEU 101 HD22 LEU 101 90.046 1.296 -3.315 774 H ALA 102 HN ALA 102 95.457 -0.800 -1.237 775 HA ALA 102 HA ALA 102 96.277 0.232 -3.864 776 1HB ALA 102 HB2 ALA 102 97.367 -1.620 -1.871 777 2HB ALA 102 HB1 ALA 102 97.584 -2.174 -3.533 778 3HB ALA 102 HB3 ALA 102 98.206 -0.601 -3.042 779 H TYR 103 HN TYR 103 94.931 -2.902 -2.653 780 HA TYR 103 HA TYR 103 93.910 -3.281 -5.434 781 1HB TYR 103 2HB TYR 103 95.096 -5.351 -3.584 782 2HB TYR 103 3HB TYR 103 94.313 -5.723 -5.120 783 HD1 TYR 103 HD1 TYR 103 95.268 -4.874 -7.250 784 HD2 TYR 103 HD2 TYR 103 97.317 -4.410 -3.506 785 HE1 TYR 103 HE1 TYR 103 97.373 -4.368 -8.467 786 HE2 TYR 103 HE2 TYR 103 99.421 -3.904 -4.716 787 HH TYR 103 HH TYR 103 99.520 -3.785 -8.276 788 HA PRO 104 HA PRO 104 89.834 -3.758 -3.591 789 1HB PRO 104 2HB PRO 104 89.425 -5.738 -5.762 790 2HB PRO 104 3HB PRO 104 88.476 -4.310 -5.340 791 1HG PRO 104 2HG PRO 104 90.090 -4.400 -7.485 792 2HG PRO 104 3HG PRO 104 89.769 -2.912 -6.583 793 1HD PRO 104 2HD PRO 104 92.235 -4.564 -6.654 794 2HD PRO 104 3HD PRO 104 92.032 -2.836 -6.286 795 H VAL 105 HN VAL 105 88.578 -5.502 -2.571 796 HA VAL 105 HA VAL 105 90.278 -7.574 -1.460 797 HB VAL 105 HB VAL 105 88.602 -6.629 -0.049 798 1HG1 VAL 105 HG11 VAL 105 86.799 -7.302 -2.352 799 2HG1 VAL 105 HG13 VAL 105 86.132 -7.230 -0.717 800 3HG1 VAL 105 HG12 VAL 105 86.906 -5.812 -1.414 801 1HG2 VAL 105 HG23 VAL 105 88.937 -9.350 -0.422 802 2HG2 VAL 105 HG22 VAL 105 88.100 -8.611 0.942 803 3HG2 VAL 105 HG21 VAL 105 87.186 -9.172 -0.459 804 H TYR 106 HN TYR 106 87.846 -7.420 -3.993 805 HA TYR 106 HA TYR 106 88.255 -10.340 -4.484 806 1HB TYR 106 2HB TYR 106 85.907 -8.528 -4.890 807 2HB TYR 106 3HB TYR 106 86.118 -9.897 -5.981 808 HD1 TYR 106 HD1 TYR 106 86.281 -12.207 -5.068 809 HD2 TYR 106 HD2 TYR 106 85.183 -8.872 -2.599 810 HE1 TYR 106 HE1 TYR 106 85.365 -13.769 -3.379 811 HE2 TYR 106 HE2 TYR 106 84.265 -10.439 -0.899 812 HH TYR 106 HH TYR 106 83.517 -12.640 -0.644 813 H ALA 107 HN ALA 107 90.074 -8.253 -5.302 814 HA ALA 107 HA ALA 107 89.656 -7.723 -8.135 815 1HB ALA 107 HB1 ALA 107 91.325 -6.740 -6.100 816 2HB ALA 107 HB3 ALA 107 92.410 -7.502 -7.261 817 3HB ALA 107 HB2 ALA 107 91.308 -6.229 -7.788 818 H GLN 108 HN GLN 108 91.655 -9.964 -6.229 819 HA GLN 108 HA GLN 108 93.003 -11.130 -8.483 820 1HB GLN 108 2HB GLN 108 92.423 -12.332 -5.761 821 2HB GLN 108 3HB GLN 108 93.607 -12.932 -6.922 822 1HG GLN 108 2HG GLN 108 94.775 -10.735 -6.825 823 2HG GLN 108 3HG GLN 108 93.632 -10.214 -5.586 824 1HE2 GLN 108 HE22 GLN 108 95.800 -11.536 -3.151 825 2HE2 GLN 108 HE21 GLN 108 94.926 -10.195 -3.716 826 H GLN 109 HN GLN 109 89.890 -11.789 -6.961 827 HA GLN 109 HA GLN 109 89.573 -14.265 -8.555 828 1HB GLN 109 2HB GLN 109 87.825 -12.934 -6.471 829 2HB GLN 109 3HB GLN 109 87.365 -14.405 -7.335 830 1HG GLN 109 2HG GLN 109 89.384 -15.536 -6.518 831 2HG GLN 109 3HG GLN 109 89.884 -14.066 -5.682 832 1HE2 GLN 109 HE22 GLN 109 88.261 -15.577 -2.890 833 2HE2 GLN 109 HE21 GLN 109 89.767 -15.271 -3.611 834 H ARG 110 HN ARG 110 88.588 -14.264 -10.488 835 HA ARG 110 HA ARG 110 86.711 -12.027 -11.115 836 1HB ARG 110 2HB ARG 110 88.797 -13.227 -12.962 837 2HB ARG 110 3HB ARG 110 87.620 -11.988 -13.407 838 1HG ARG 110 2HG ARG 110 88.553 -10.462 -11.734 839 2HG ARG 110 3HG ARG 110 89.704 -11.701 -11.225 840 1HD ARG 110 2HD ARG 110 90.885 -10.268 -12.737 841 2HD ARG 110 3HD ARG 110 90.528 -11.747 -13.629 842 HE ARG 110 HE ARG 110 88.364 -10.074 -14.150 843 1HH1 ARG 110 HH21 ARG 110 91.790 -9.961 -14.421 844 2HH1 ARG 110 HH22 ARG 110 91.787 -8.865 -15.761 845 1HH2 ARG 110 HH11 ARG 110 88.322 -8.637 -15.887 846 2HH2 ARG 110 HH12 ARG 110 89.812 -8.122 -16.606 847 H ARG 111 HN ARG 111 85.006 -12.605 -12.518 848 HA ARG 111 HA ARG 111 84.556 -15.550 -12.736 849 1HB ARG 111 2HB ARG 111 82.614 -13.224 -12.609 850 2HB ARG 111 3HB ARG 111 82.135 -14.905 -12.850 851 1HG ARG 111 2HG ARG 111 83.399 -15.422 -10.684 852 2HG ARG 111 3HG ARG 111 83.458 -13.676 -10.425 853 1HD ARG 111 2HD ARG 111 80.799 -14.199 -11.130 854 2HD ARG 111 3HD ARG 111 81.234 -15.518 -10.046 855 HE ARG 111 HE ARG 111 80.592 -12.945 -9.163 856 1HH1 ARG 111 HH21 ARG 111 83.290 -15.067 -9.040 857 2HH1 ARG 111 HH22 ARG 111 83.947 -14.370 -7.597 858 1HH2 ARG 111 HH11 ARG 111 81.415 -12.025 -7.265 859 2HH2 ARG 111 HH12 ARG 111 82.893 -12.637 -6.601 No H/Q in entry = 859 Start of MODEL 2 1 1H GLU 1 HT3 GLU 1 95.862 -1.734 -18.119 2 2H GLU 1 HT2 GLU 1 95.443 -1.526 -19.749 3 3H GLU 1 HT1 GLU 1 97.044 -1.274 -19.243 4 HA GLU 1 HA GLU 1 96.563 0.713 -18.191 5 1HB GLU 1 2HB GLU 1 96.386 0.845 -20.677 6 2HB GLU 1 3HB GLU 1 94.648 0.574 -20.538 7 1HG GLU 1 2HG GLU 1 94.332 2.621 -19.336 8 2HG GLU 1 3HG GLU 1 96.066 2.836 -19.119 9 H ASP 2 HN ASP 2 93.598 -1.121 -18.857 10 HA ASP 2 HA ASP 2 91.825 0.575 -17.376 11 1HB ASP 2 2HB ASP 2 91.732 -2.372 -18.077 12 2HB ASP 2 3HB ASP 2 90.414 -1.545 -17.238 13 H LEU 3 HN LEU 3 91.308 0.585 -15.178 14 HA LEU 3 HA LEU 3 93.124 -0.993 -13.431 15 1HB LEU 3 2HB LEU 3 91.370 1.410 -12.833 16 2HB LEU 3 3HB LEU 3 92.394 0.591 -11.654 17 HG LEU 3 HG LEU 3 93.419 1.845 -14.220 18 1HD1 LEU 3 HD12 LEU 3 93.058 2.898 -11.437 19 2HD1 LEU 3 HD11 LEU 3 94.485 3.395 -12.345 20 3HD1 LEU 3 HD13 LEU 3 92.874 3.731 -12.980 21 1HD2 LEU 3 HD22 LEU 3 94.680 0.447 -11.864 22 2HD2 LEU 3 HD21 LEU 3 94.972 0.192 -13.583 23 3HD2 LEU 3 HD23 LEU 3 95.597 1.636 -12.790 24 HA PRO 4 HA PRO 4 89.795 -3.824 -12.465 25 1HB PRO 4 2HB PRO 4 90.959 -3.872 -9.732 26 2HB PRO 4 3HB PRO 4 90.640 -5.215 -10.843 27 1HG PRO 4 2HG PRO 4 93.115 -4.266 -10.344 28 2HG PRO 4 3HG PRO 4 92.647 -5.009 -11.881 29 1HD PRO 4 2HD PRO 4 93.195 -2.160 -11.273 30 2HD PRO 4 3HD PRO 4 93.263 -3.025 -12.826 31 H HIS 5 HN HIS 5 90.469 -0.876 -10.870 32 HA HIS 5 HA HIS 5 88.349 -0.861 -8.932 33 1HB HIS 5 2HB HIS 5 89.704 1.439 -10.374 34 2HB HIS 5 3HB HIS 5 88.697 1.596 -8.938 35 HD1 HIS 5 HD1 HIS 5 89.600 -0.283 -6.954 36 HD2 HIS 5 HD2 HIS 5 92.357 1.332 -9.630 37 HE1 HIS 5 HE1 HIS 5 91.887 -0.607 -5.918 38 H HIS 6 HN HIS 6 88.356 -0.775 -12.330 39 HA HIS 6 HA HIS 6 86.075 0.890 -12.836 40 1HB HIS 6 2HB HIS 6 87.264 -1.462 -14.334 41 2HB HIS 6 3HB HIS 6 85.862 -0.575 -14.932 42 HD1 HIS 6 HD1 HIS 6 87.716 -0.051 -16.931 43 HD2 HIS 6 HD2 HIS 6 88.254 1.883 -13.276 44 HE1 HIS 6 HE1 HIS 6 89.275 1.898 -17.374 45 H ASP 7 HN ASP 7 86.430 -2.455 -11.792 46 HA ASP 7 HA ASP 7 83.494 -2.824 -11.923 47 1HB ASP 7 2HB ASP 7 85.756 -4.757 -11.401 48 2HB ASP 7 3HB ASP 7 84.045 -5.201 -11.367 49 H GLU 8 HN GLU 8 82.270 -2.875 -10.086 50 HA GLU 8 HA GLU 8 83.398 -2.006 -7.575 51 1HB GLU 8 2HB GLU 8 80.680 -3.099 -8.322 52 2HB GLU 8 3HB GLU 8 81.079 -2.532 -6.705 53 1HG GLU 8 2HG GLU 8 81.502 -0.312 -7.488 54 2HG GLU 8 3HG GLU 8 81.441 -0.825 -9.175 55 H LYS 9 HN LYS 9 82.713 -5.118 -8.971 56 HA LYS 9 HA LYS 9 82.609 -6.712 -6.617 57 1HB LYS 9 2HB LYS 9 83.060 -8.568 -8.065 58 2HB LYS 9 3HB LYS 9 82.162 -7.405 -9.052 59 1HG LYS 9 2HG LYS 9 84.519 -6.447 -9.625 60 2HG LYS 9 3HG LYS 9 85.113 -8.006 -9.062 61 1HD LYS 9 2HD LYS 9 83.751 -9.170 -10.709 62 2HD LYS 9 3HD LYS 9 83.022 -7.646 -11.225 63 1HE LYS 9 2HE LYS 9 85.439 -6.861 -11.668 64 2HE LYS 9 3HE LYS 9 85.880 -8.561 -11.559 65 1HZ LYS 9 HZ3 LYS 9 83.660 -7.727 -13.302 66 2HZ LYS 9 HZ2 LYS 9 85.263 -7.549 -13.836 67 3HZ LYS 9 HZ1 LYS 9 84.667 -9.087 -13.425 68 H THR 10 HN THR 10 85.359 -5.466 -8.459 69 HA THR 10 HA THR 10 87.390 -7.047 -7.262 70 HB THR 10 HB THR 10 88.871 -5.020 -7.830 71 HG1 THR 10 HG1 THR 10 87.870 -3.424 -9.016 72 1HG2 THR 10 HG21 THR 10 87.247 -6.704 -9.655 73 2HG2 THR 10 HG23 THR 10 88.076 -5.331 -10.389 74 3HG2 THR 10 HG22 THR 10 88.999 -6.555 -9.518 75 H TRP 11 HN TRP 11 85.768 -4.134 -6.096 76 HA TRP 11 HA TRP 11 87.363 -4.413 -3.582 77 1HB TRP 11 2HB TRP 11 86.378 -1.859 -3.487 78 2HB TRP 11 3HB TRP 11 87.989 -2.281 -4.068 79 HD1 TRP 11 HD1 TRP 11 88.006 -2.970 -6.813 80 HE1 TRP 11 HE1 TRP 11 86.809 -1.749 -8.746 81 HE3 TRP 11 HE3 TRP 11 84.526 -0.403 -4.149 82 HZ2 TRP 11 HZ2 TRP 11 84.641 0.133 -9.080 83 HZ3 TRP 11 HZ3 TRP 11 82.914 1.095 -5.273 84 HH2 TRP 11 HH2 TRP 11 82.968 1.368 -7.736 85 H ASN 12 HN ASN 12 84.167 -3.699 -4.968 86 HA ASN 12 HA ASN 12 82.952 -3.629 -2.294 87 1HB ASN 12 2HB ASN 12 82.145 -2.216 -4.222 88 2HB ASN 12 3HB ASN 12 81.550 -3.701 -4.964 89 1HD2 ASN 12 HD22 ASN 12 78.538 -3.249 -3.178 90 2HD2 ASN 12 HD21 ASN 12 79.281 -3.429 -4.692 91 H VAL 13 HN VAL 13 82.272 -5.418 -1.252 92 HA VAL 13 HA VAL 13 82.044 -7.949 -2.780 93 HB VAL 13 HB VAL 13 81.934 -7.414 0.207 94 1HG1 VAL 13 HG11 VAL 13 81.782 -9.903 -1.482 95 2HG1 VAL 13 HG13 VAL 13 82.441 -9.975 0.152 96 3HG1 VAL 13 HG12 VAL 13 80.780 -9.437 -0.110 97 1HG2 VAL 13 HG22 VAL 13 84.121 -8.064 -1.732 98 2HG2 VAL 13 HG21 VAL 13 84.164 -7.031 -0.306 99 3HG2 VAL 13 HG23 VAL 13 84.197 -8.787 -0.122 100 H GLY 14 HN GLY 14 80.108 -5.399 -1.850 101 1HA GLY 14 2HA GLY 14 77.755 -5.351 -2.442 102 2HA GLY 14 3HA GLY 14 77.679 -7.092 -2.156 103 H SER 15 HN SER 15 75.783 -6.512 -0.785 104 HA SER 15 HA SER 15 76.311 -5.025 1.675 105 1HB SER 15 2HB SER 15 73.917 -6.741 0.955 106 2HB SER 15 3HB SER 15 73.998 -5.525 2.226 107 HG SER 15 HG SER 15 73.047 -4.763 0.250 108 H SER 16 HN SER 16 78.216 -6.762 1.895 109 HA SER 16 HA SER 16 77.376 -9.317 3.038 110 1HB SER 16 2HB SER 16 79.767 -9.674 3.430 111 2HB SER 16 3HB SER 16 79.519 -9.058 1.798 112 HG SER 16 HG SER 16 80.639 -7.838 4.047 113 H ASN 17 HN ASN 17 77.801 -9.915 5.298 114 HA ASN 17 HA ASN 17 76.956 -7.864 7.151 115 1HB ASN 17 2HB ASN 17 78.070 -10.646 7.623 116 2HB ASN 17 3HB ASN 17 77.384 -9.625 8.885 117 1HD2 ASN 17 HD22 ASN 17 74.882 -11.884 6.816 118 2HD2 ASN 17 HD21 ASN 17 76.542 -12.180 6.995 119 H ARG 18 HN ARG 18 78.201 -6.725 8.676 120 HA ARG 18 HA ARG 18 80.906 -6.152 8.004 121 1HB ARG 18 2HB ARG 18 79.331 -5.704 10.548 122 2HB ARG 18 3HB ARG 18 80.981 -5.129 10.335 123 1HG ARG 18 2HG ARG 18 80.251 -3.914 8.283 124 2HG ARG 18 3HG ARG 18 78.594 -4.414 8.606 125 1HD ARG 18 2HD ARG 18 78.610 -3.254 10.738 126 2HD ARG 18 3HD ARG 18 80.309 -2.841 10.555 127 HE ARG 18 HE ARG 18 78.069 -1.377 9.516 128 1HH1 ARG 18 HH21 ARG 18 81.172 -2.545 8.541 129 2HH1 ARG 18 HH22 ARG 18 81.307 -1.434 7.220 130 1HH2 ARG 18 HH11 ARG 18 78.243 0.066 7.815 131 2HH2 ARG 18 HH12 ARG 18 79.653 0.042 6.811 132 H ASN 19 HN ASN 19 79.514 -8.434 10.358 133 HA ASN 19 HA ASN 19 81.998 -9.182 11.570 134 1HB ASN 19 2HB ASN 19 80.825 -11.157 12.368 135 2HB ASN 19 3HB ASN 19 79.719 -9.786 12.460 136 1HD2 ASN 19 HD22 ASN 19 78.016 -12.712 10.780 137 2HD2 ASN 19 HD21 ASN 19 78.831 -12.545 12.261 138 H LYS 20 HN LYS 20 80.229 -10.438 8.748 139 HA LYS 20 HA LYS 20 82.014 -12.575 8.135 140 1HB LYS 20 2HB LYS 20 79.785 -12.243 7.057 141 2HB LYS 20 3HB LYS 20 80.450 -10.866 6.178 142 1HG LYS 20 2HG LYS 20 82.241 -12.437 5.294 143 2HG LYS 20 3HG LYS 20 81.295 -13.763 5.973 144 1HD LYS 20 2HD LYS 20 79.396 -13.220 4.594 145 2HD LYS 20 3HD LYS 20 80.157 -11.725 4.049 146 1HE LYS 20 2HE LYS 20 81.903 -12.986 2.898 147 2HE LYS 20 3HE LYS 20 81.244 -14.503 3.507 148 1HZ LYS 20 HZ3 LYS 20 79.250 -12.931 2.221 149 2HZ LYS 20 HZ2 LYS 20 80.551 -13.240 1.175 150 3HZ LYS 20 HZ1 LYS 20 79.721 -14.530 1.911 151 H ALA 21 HN ALA 21 82.101 -9.122 7.353 152 HA ALA 21 HA ALA 21 84.242 -9.171 5.483 153 1HB ALA 21 HB3 ALA 21 82.731 -7.220 6.821 154 2HB ALA 21 HB2 ALA 21 84.404 -6.895 7.281 155 3HB ALA 21 HB1 ALA 21 83.947 -6.931 5.576 156 H GLU 22 HN GLU 22 84.180 -9.302 9.003 157 HA GLU 22 HA GLU 22 86.944 -8.872 9.500 158 1HB GLU 22 2HB GLU 22 85.179 -9.021 11.278 159 2HB GLU 22 3HB GLU 22 85.095 -10.762 10.996 160 1HG GLU 22 2HG GLU 22 87.358 -11.080 11.686 161 2HG GLU 22 3HG GLU 22 87.683 -9.349 11.653 162 H ASN 23 HN ASN 23 85.126 -11.816 8.701 163 HA ASN 23 HA ASN 23 87.264 -13.680 8.853 164 1HB ASN 23 2HB ASN 23 84.842 -14.261 8.581 165 2HB ASN 23 3HB ASN 23 84.926 -13.684 6.923 166 1HD2 ASN 23 HD22 ASN 23 86.640 -17.272 7.902 167 2HD2 ASN 23 HD21 ASN 23 86.185 -16.191 9.129 168 H LEU 24 HN LEU 24 86.042 -11.724 6.118 169 HA LEU 24 HA LEU 24 88.055 -12.586 4.242 170 1HB LEU 24 2HB LEU 24 86.300 -10.123 4.372 171 2HB LEU 24 3HB LEU 24 87.367 -10.487 3.015 172 HG LEU 24 HG LEU 24 84.843 -11.247 2.968 173 1HD1 LEU 24 HD11 LEU 24 86.655 -11.734 1.294 174 2HD1 LEU 24 HD13 LEU 24 87.039 -13.189 2.214 175 3HD1 LEU 24 HD12 LEU 24 85.461 -13.024 1.448 176 1HD2 LEU 24 HD23 LEU 24 84.924 -12.472 5.111 177 2HD2 LEU 24 HD22 LEU 24 84.534 -13.545 3.778 178 3HD2 LEU 24 HD21 LEU 24 86.155 -13.545 4.456 179 H LEU 25 HN LEU 25 87.871 -10.014 6.660 180 HA LEU 25 HA LEU 25 90.401 -8.803 5.773 181 1HB LEU 25 2HB LEU 25 88.724 -8.446 8.276 182 2HB LEU 25 3HB LEU 25 90.178 -7.513 7.924 183 HG LEU 25 HG LEU 25 87.960 -7.626 5.896 184 1HD1 LEU 25 HD12 LEU 25 87.305 -6.857 8.396 185 2HD1 LEU 25 HD11 LEU 25 88.033 -5.355 7.831 186 3HD1 LEU 25 HD13 LEU 25 86.662 -6.053 6.969 187 1HD2 LEU 25 HD21 LEU 25 90.206 -6.650 5.358 188 2HD2 LEU 25 HD23 LEU 25 88.904 -5.464 5.256 189 3HD2 LEU 25 HD22 LEU 25 89.970 -5.483 6.660 190 H ARG 26 HN ARG 26 89.407 -11.437 7.713 191 HA ARG 26 HA ARG 26 91.669 -11.469 9.514 192 1HB ARG 26 2HB ARG 26 89.247 -12.956 9.093 193 2HB ARG 26 3HB ARG 26 90.601 -14.085 9.190 194 1HG ARG 26 2HG ARG 26 91.337 -12.757 11.259 195 2HG ARG 26 3HG ARG 26 89.729 -12.030 11.217 196 1HD ARG 26 2HD ARG 26 89.217 -14.742 10.912 197 2HD ARG 26 3HD ARG 26 90.540 -14.714 12.079 198 HE ARG 26 HE ARG 26 87.894 -14.200 12.767 199 1HH1 ARG 26 HH21 ARG 26 90.822 -12.371 12.748 200 2HH1 ARG 26 HH22 ARG 26 90.355 -11.370 14.079 201 1HH2 ARG 26 HH11 ARG 26 87.287 -12.913 14.514 202 2HH2 ARG 26 HH12 ARG 26 88.362 -11.674 15.077 203 H GLY 27 HN GLY 27 93.699 -12.026 8.971 204 1HA GLY 27 2HA GLY 27 95.453 -13.219 7.932 205 2HA GLY 27 3HA GLY 27 94.237 -14.248 7.164 206 H LYS 28 HN LYS 28 93.783 -10.852 6.861 207 HA LYS 28 HA LYS 28 94.395 -11.077 3.974 208 1HB LYS 28 2HB LYS 28 92.172 -10.169 4.805 209 2HB LYS 28 3HB LYS 28 93.066 -8.771 5.407 210 1HG LYS 28 2HG LYS 28 92.381 -8.098 3.244 211 2HG LYS 28 3HG LYS 28 94.053 -8.618 3.021 212 1HD LYS 28 2HD LYS 28 92.319 -10.902 2.773 213 2HD LYS 28 3HD LYS 28 91.743 -9.625 1.708 214 1HE LYS 28 2HE LYS 28 94.036 -9.397 0.779 215 2HE LYS 28 3HE LYS 28 94.568 -10.719 1.818 216 1HZ LYS 28 HZ3 LYS 28 92.281 -11.050 -0.016 217 2HZ LYS 28 HZ2 LYS 28 93.877 -11.268 -0.562 218 3HZ LYS 28 HZ1 LYS 28 93.262 -12.243 0.684 219 H ARG 29 HN ARG 29 96.028 -9.949 3.046 220 HA ARG 29 HA ARG 29 98.041 -8.731 4.744 221 1HB ARG 29 2HB ARG 29 97.774 -8.840 1.725 222 2HB ARG 29 3HB ARG 29 99.197 -8.246 2.585 223 1HG ARG 29 2HG ARG 29 99.511 -10.428 3.645 224 2HG ARG 29 3HG ARG 29 98.041 -11.031 2.878 225 1HD ARG 29 2HD ARG 29 99.544 -9.973 0.772 226 2HD ARG 29 3HD ARG 29 100.728 -10.801 1.780 227 HE ARG 29 HE ARG 29 99.014 -12.127 0.026 228 1HH1 ARG 29 HH21 ARG 29 99.617 -12.105 3.424 229 2HH1 ARG 29 HH22 ARG 29 99.014 -13.709 3.670 230 1HH2 ARG 29 HH11 ARG 29 98.216 -14.212 0.336 231 2HH2 ARG 29 HH12 ARG 29 98.215 -14.898 1.928 232 H ASP 30 HN ASP 30 98.810 -6.531 4.517 233 HA ASP 30 HA ASP 30 96.750 -4.556 4.628 234 1HB ASP 30 2HB ASP 30 98.587 -2.937 4.669 235 2HB ASP 30 3HB ASP 30 98.993 -4.319 5.686 236 H GLY 31 HN GLY 31 96.766 -2.594 3.098 237 1HA GLY 31 2HA GLY 31 96.713 -1.674 0.915 238 2HA GLY 31 3HA GLY 31 97.656 -3.054 0.355 239 H THR 32 HN THR 32 95.678 -4.980 1.549 240 HA THR 32 HA THR 32 93.886 -5.008 -0.759 241 HB THR 32 HB THR 32 93.918 -6.843 1.650 242 HG1 THR 32 HG1 THR 32 95.707 -7.460 0.748 243 1HG2 THR 32 HG23 THR 32 92.133 -6.551 -0.578 244 2HG2 THR 32 HG22 THR 32 92.995 -8.082 -0.737 245 3HG2 THR 32 HG21 THR 32 92.076 -7.732 0.728 246 H PHE 33 HN PHE 33 91.947 -3.922 -0.766 247 HA PHE 33 HA PHE 33 90.540 -3.671 1.849 248 1HB PHE 33 2HB PHE 33 90.590 -1.415 1.849 249 2HB PHE 33 3HB PHE 33 91.853 -1.550 0.633 250 HD1 PHE 33 HD2 PHE 33 88.296 -0.908 1.254 251 HD2 PHE 33 HD1 PHE 33 91.342 -1.195 -1.761 252 HE1 PHE 33 HE2 PHE 33 86.795 0.177 -0.386 253 HE2 PHE 33 HE1 PHE 33 89.815 -0.099 -3.380 254 HZ PHE 33 HZ PHE 33 87.545 0.577 -2.684 255 H LEU 34 HN LEU 34 88.217 -2.969 1.533 256 HA LEU 34 HA LEU 34 87.105 -3.609 -1.134 257 1HB LEU 34 2HB LEU 34 85.563 -5.306 -0.222 258 2HB LEU 34 3HB LEU 34 87.244 -5.791 -0.021 259 HG LEU 34 HG LEU 34 85.970 -4.242 2.181 260 1HD1 LEU 34 HD11 LEU 34 85.444 -7.155 1.554 261 2HD1 LEU 34 HD13 LEU 34 85.190 -6.447 3.150 262 3HD1 LEU 34 HD12 LEU 34 84.250 -5.877 1.770 263 1HD2 LEU 34 HD21 LEU 34 87.995 -6.488 1.953 264 2HD2 LEU 34 HD23 LEU 34 88.313 -4.811 2.399 265 3HD2 LEU 34 HD22 LEU 34 87.418 -5.865 3.496 266 H VAL 35 HN VAL 35 84.766 -3.106 -1.263 267 HA VAL 35 HA VAL 35 84.027 -0.940 0.651 268 HB VAL 35 HB VAL 35 83.182 -1.450 -2.215 269 1HG1 VAL 35 HG13 VAL 35 81.764 -0.117 -0.090 270 2HG1 VAL 35 HG12 VAL 35 82.283 1.081 -1.278 271 3HG1 VAL 35 HG11 VAL 35 81.296 -0.289 -1.781 272 1HG2 VAL 35 HG21 VAL 35 84.772 0.706 -0.807 273 2HG2 VAL 35 HG23 VAL 35 85.342 -0.384 -2.071 274 3HG2 VAL 35 HG22 VAL 35 84.171 0.885 -2.450 275 H ARG 36 HN ARG 36 82.222 -1.216 1.904 276 HA ARG 36 HA ARG 36 80.225 -3.287 1.139 277 1HB ARG 36 2HB ARG 36 80.404 -4.442 3.254 278 2HB ARG 36 3HB ARG 36 82.039 -4.339 2.590 279 1HG ARG 36 2HG ARG 36 82.422 -2.279 3.945 280 2HG ARG 36 3HG ARG 36 80.831 -2.489 4.671 281 1HD ARG 36 2HD ARG 36 81.566 -4.750 5.477 282 2HD ARG 36 3HD ARG 36 83.187 -4.381 4.884 283 HE ARG 36 HE ARG 36 82.454 -2.207 6.501 284 1HH1 ARG 36 HH21 ARG 36 82.872 -5.608 6.787 285 2HH1 ARG 36 HH22 ARG 36 83.229 -5.555 8.480 286 1HH2 ARG 36 HH11 ARG 36 82.915 -2.108 8.695 287 2HH2 ARG 36 HH12 ARG 36 83.265 -3.566 9.562 288 H GLU 37 HN GLU 37 78.363 -3.185 2.901 289 HA GLU 37 HA GLU 37 78.130 -0.353 3.824 290 1HB GLU 37 2HB GLU 37 75.968 -2.144 2.685 291 2HB GLU 37 3HB GLU 37 75.698 -0.535 3.350 292 1HG GLU 37 2HG GLU 37 77.194 0.433 1.662 293 2HG GLU 37 3HG GLU 37 77.509 -1.178 1.007 294 H SER 38 HN SER 38 76.371 -0.198 5.594 295 HA SER 38 HA SER 38 77.011 -2.200 7.636 296 1HB SER 38 2HB SER 38 75.005 0.088 7.601 297 2HB SER 38 3HB SER 38 75.288 -0.947 8.996 298 HG SER 38 HG SER 38 76.942 0.259 9.419 299 H SER 39 HN SER 39 75.533 -2.578 4.981 300 HA SER 39 HA SER 39 74.215 -4.470 4.396 301 1HB SER 39 2HB SER 39 74.124 -5.049 6.922 302 2HB SER 39 3HB SER 39 72.642 -4.093 6.955 303 HG SER 39 HG SER 39 71.994 -5.468 5.115 304 H LYS 40 HN LYS 40 72.579 -4.086 2.969 305 HA LYS 40 HA LYS 40 70.810 -2.985 1.899 306 1HB LYS 40 2HB LYS 40 70.138 -2.014 4.700 307 2HB LYS 40 3HB LYS 40 69.068 -1.989 3.302 308 1HG LYS 40 2HG LYS 40 70.303 -4.567 4.257 309 2HG LYS 40 3HG LYS 40 68.818 -3.947 4.977 310 1HD LYS 40 2HD LYS 40 67.850 -3.796 2.653 311 2HD LYS 40 3HD LYS 40 69.285 -4.632 2.063 312 1HE LYS 40 2HE LYS 40 68.788 -6.577 3.410 313 2HE LYS 40 3HE LYS 40 67.473 -5.734 4.226 314 1HZ LYS 40 HZ1 LYS 40 67.064 -5.560 1.461 315 2HZ LYS 40 HZ3 LYS 40 67.368 -7.184 1.842 316 3HZ LYS 40 HZ2 LYS 40 66.107 -6.351 2.621 317 H GLN 41 HN GLN 41 69.779 -0.373 3.052 318 HA GLN 41 HA GLN 41 71.979 1.317 1.971 319 1HB GLN 41 2HB GLN 41 69.030 1.873 2.391 320 2HB GLN 41 3HB GLN 41 70.186 3.047 1.761 321 1HG GLN 41 2HG GLN 41 70.668 1.611 -0.151 322 2HG GLN 41 3HG GLN 41 69.613 0.350 0.497 323 1HE2 GLN 41 HE22 GLN 41 66.896 3.087 0.093 324 2HE2 GLN 41 HE21 GLN 41 67.774 2.666 1.482 325 H GLY 42 HN GLY 42 71.595 0.207 4.833 326 1HA GLY 42 2HA GLY 42 70.936 2.364 6.563 327 2HA GLY 42 3HA GLY 42 71.972 1.010 7.002 328 H CYS 43 HN CYS 43 74.177 1.284 5.461 329 HA CYS 43 HA CYS 43 75.089 4.062 5.390 330 1HB CYS 43 2HB CYS 43 75.271 3.552 7.799 331 2HB CYS 43 3HB CYS 43 76.275 2.148 7.422 332 HG CYS 43 HG CYS 43 77.157 5.109 6.925 333 H TYR 44 HN TYR 44 77.453 4.147 4.717 334 HA TYR 44 HA TYR 44 78.208 1.677 3.211 335 1HB TYR 44 2HB TYR 44 78.516 4.567 2.351 336 2HB TYR 44 3HB TYR 44 79.210 3.195 1.490 337 HD1 TYR 44 HD2 TYR 44 75.986 4.613 2.715 338 HD2 TYR 44 HD1 TYR 44 77.919 1.951 -0.049 339 HE1 TYR 44 HE2 TYR 44 73.830 4.269 1.540 340 HE2 TYR 44 HE1 TYR 44 75.761 1.608 -1.224 341 HH TYR 44 HH TYR 44 73.194 3.554 -0.965 342 H ALA 45 HN ALA 45 80.473 1.166 3.234 343 HA ALA 45 HA ALA 45 82.351 3.048 4.468 344 1HB ALA 45 HB1 ALA 45 81.600 0.474 5.887 345 2HB ALA 45 HB3 ALA 45 82.931 1.527 6.345 346 3HB ALA 45 HB2 ALA 45 81.276 2.109 6.464 347 H CYS 46 HN CYS 46 84.571 2.304 4.263 348 HA CYS 46 HA CYS 46 84.837 0.009 2.362 349 1HB CYS 46 2HB CYS 46 86.774 2.307 2.799 350 2HB CYS 46 3HB CYS 46 86.976 0.995 1.637 351 HG CYS 46 HG CYS 46 84.970 1.920 0.281 352 H SER 47 HN SER 47 85.825 -1.771 3.176 353 HA SER 47 HA SER 47 87.074 -1.521 5.838 354 1HB SER 47 2HB SER 47 85.431 -3.352 5.368 355 2HB SER 47 3HB SER 47 86.559 -4.003 4.198 356 HG SER 47 HG SER 47 87.349 -4.996 5.870 357 H VAL 48 HN VAL 48 89.263 -1.433 6.077 358 HA VAL 48 HA VAL 48 90.933 -2.359 3.775 359 HB VAL 48 HB VAL 48 91.430 0.003 5.612 360 1HG1 VAL 48 HG11 VAL 48 93.067 -1.435 3.594 361 2HG1 VAL 48 HG13 VAL 48 93.187 0.323 3.627 362 3HG1 VAL 48 HG12 VAL 48 93.563 -0.616 5.071 363 1HG2 VAL 48 HG22 VAL 48 89.744 -0.143 3.413 364 2HG2 VAL 48 HG21 VAL 48 90.455 1.333 4.066 365 3HG2 VAL 48 HG23 VAL 48 91.246 0.488 2.734 366 H VAL 49 HN VAL 49 93.187 -2.923 4.465 367 HA VAL 49 HA VAL 49 93.297 -3.863 7.301 368 HB VAL 49 HB VAL 49 94.470 -5.277 4.899 369 1HG1 VAL 49 HG13 VAL 49 95.173 -5.429 7.582 370 2HG1 VAL 49 HG12 VAL 49 94.051 -6.772 7.383 371 3HG1 VAL 49 HG11 VAL 49 95.489 -6.669 6.369 372 1HG2 VAL 49 HG21 VAL 49 91.814 -5.141 5.551 373 2HG2 VAL 49 HG23 VAL 49 92.562 -6.504 4.721 374 3HG2 VAL 49 HG22 VAL 49 92.325 -6.561 6.466 375 H VAL 50 HN VAL 50 95.140 -3.207 8.379 376 HA VAL 50 HA VAL 50 97.323 -2.104 6.666 377 HB VAL 50 HB VAL 50 95.995 -0.336 7.851 378 1HG1 VAL 50 HG13 VAL 50 95.545 -1.837 9.830 379 2HG1 VAL 50 HG12 VAL 50 97.199 -1.529 10.353 380 3HG1 VAL 50 HG11 VAL 50 96.046 -0.198 10.235 381 1HG2 VAL 50 HG23 VAL 50 98.636 -0.410 7.424 382 2HG2 VAL 50 HG22 VAL 50 97.877 0.930 8.279 383 3HG2 VAL 50 HG21 VAL 50 98.667 -0.359 9.186 384 H ASP 51 HN ASP 51 99.445 -2.246 7.591 385 HA ASP 51 HA ASP 51 100.189 -4.746 8.554 386 1HB ASP 51 2HB ASP 51 101.561 -2.067 8.885 387 2HB ASP 51 3HB ASP 51 102.317 -3.599 9.328 388 H GLY 52 HN GLY 52 98.749 -2.198 10.211 389 1HA GLY 52 2HA GLY 52 99.685 -3.031 12.862 390 2HA GLY 52 3HA GLY 52 98.546 -1.726 12.531 391 H GLU 53 HN GLU 53 96.429 -2.757 11.351 392 HA GLU 53 HA GLU 53 95.656 -5.368 12.441 393 1HB GLU 53 2HB GLU 53 94.547 -2.829 13.668 394 2HB GLU 53 3HB GLU 53 93.752 -4.391 13.818 395 1HG GLU 53 2HG GLU 53 96.466 -3.579 14.890 396 2HG GLU 53 3HG GLU 53 95.052 -4.099 15.800 397 H VAL 54 HN VAL 54 92.911 -5.095 12.457 398 HA VAL 54 HA VAL 54 92.319 -4.585 9.591 399 HB VAL 54 HB VAL 54 90.669 -5.869 11.798 400 1HG1 VAL 54 HG12 VAL 54 90.111 -5.425 8.853 401 2HG1 VAL 54 HG11 VAL 54 89.220 -6.582 9.843 402 3HG1 VAL 54 HG13 VAL 54 89.155 -4.862 10.225 403 1HG2 VAL 54 HG21 VAL 54 92.293 -6.952 9.487 404 2HG2 VAL 54 HG23 VAL 54 92.430 -7.357 11.198 405 3HG2 VAL 54 HG22 VAL 54 91.030 -7.903 10.272 406 H LYS 55 HN LYS 55 91.379 -2.643 9.036 407 HA LYS 55 HA LYS 55 89.870 -1.202 11.180 408 1HB LYS 55 2HB LYS 55 91.706 -0.118 9.040 409 2HB LYS 55 3HB LYS 55 90.594 0.901 9.950 410 1HG LYS 55 2HG LYS 55 92.486 1.071 11.273 411 2HG LYS 55 3HG LYS 55 91.699 -0.312 12.026 412 1HD LYS 55 2HD LYS 55 93.064 -1.830 10.612 413 2HD LYS 55 3HD LYS 55 93.886 -0.422 9.936 414 1HE LYS 55 2HE LYS 55 93.766 -0.946 12.915 415 2HE LYS 55 3HE LYS 55 95.070 -1.577 11.908 416 1HZ LYS 55 HZ1 LYS 55 95.031 0.965 11.131 417 2HZ LYS 55 HZ3 LYS 55 94.514 1.149 12.737 418 3HZ LYS 55 HZ2 LYS 55 96.000 0.394 12.406 419 H HIS 56 HN HIS 56 88.000 -0.069 10.549 420 HA HIS 56 HA HIS 56 86.948 -0.806 7.853 421 1HB HIS 56 2HB HIS 56 85.557 -0.359 10.496 422 2HB HIS 56 3HB HIS 56 84.685 -0.360 8.967 423 HD1 HIS 56 HD1 HIS 56 85.194 -2.572 11.577 424 HD2 HIS 56 HD2 HIS 56 85.786 -2.955 7.471 425 HE1 HIS 56 HE1 HIS 56 85.075 -5.049 11.064 426 H CYS 57 HN CYS 57 87.438 1.038 6.617 427 HA CYS 57 HA CYS 57 87.206 3.723 7.720 428 1HB CYS 57 2HB CYS 57 88.727 3.224 5.824 429 2HB CYS 57 3HB CYS 57 87.331 2.812 4.827 430 HG CYS 57 HG CYS 57 86.678 5.249 4.676 431 H VAL 58 HN VAL 58 85.363 4.932 7.846 432 HA VAL 58 HA VAL 58 82.854 3.694 6.935 433 HB VAL 58 HB VAL 58 83.307 4.829 9.212 434 1HG1 VAL 58 HG12 VAL 58 84.293 6.884 8.165 435 2HG1 VAL 58 HG11 VAL 58 82.690 7.291 7.545 436 3HG1 VAL 58 HG13 VAL 58 82.979 7.235 9.285 437 1HG2 VAL 58 HG21 VAL 58 80.918 5.035 7.447 438 2HG2 VAL 58 HG23 VAL 58 81.074 4.308 9.047 439 3HG2 VAL 58 HG22 VAL 58 80.909 6.057 8.885 440 H ILE 59 HN ILE 59 81.525 4.455 5.347 441 HA ILE 59 HA ILE 59 82.329 6.956 3.923 442 HB ILE 59 HB ILE 59 81.241 4.385 2.728 443 1HG1 ILE 59 HG12 ILE 59 83.720 4.532 3.467 444 2HG1 ILE 59 HG11 ILE 59 83.390 4.017 1.814 445 1HG2 ILE 59 HG21 ILE 59 82.011 7.018 1.440 446 2HG2 ILE 59 HG23 ILE 59 81.579 5.550 0.564 447 3HG2 ILE 59 HG22 ILE 59 80.383 6.359 1.574 448 1HD1 ILE 59 HD11 ILE 59 84.015 6.878 2.603 449 2HD1 ILE 59 HD13 ILE 59 85.210 5.740 1.992 450 3HD1 ILE 59 HD12 ILE 59 83.869 6.238 0.969 451 H ASN 60 HN ASN 60 80.704 8.425 4.416 452 HA ASN 60 HA ASN 60 77.912 7.307 4.486 453 1HB ASN 60 2HB ASN 60 79.113 9.617 6.021 454 2HB ASN 60 3HB ASN 60 77.401 9.192 6.045 455 1HD2 ASN 60 HD22 ASN 60 79.053 7.444 8.913 456 2HD2 ASN 60 HD21 ASN 60 78.844 9.070 8.462 457 H LYS 61 HN LYS 61 76.194 9.045 4.044 458 HA LYS 61 HA LYS 61 77.203 10.906 1.962 459 1HB LYS 61 2HB LYS 61 75.359 10.365 0.526 460 2HB LYS 61 3HB LYS 61 75.982 8.815 1.097 461 1HG LYS 61 2HG LYS 61 74.249 9.048 3.007 462 2HG LYS 61 3HG LYS 61 73.496 10.268 1.981 463 1HD LYS 61 2HD LYS 61 74.156 7.494 0.978 464 2HD LYS 61 3HD LYS 61 72.598 7.902 1.706 465 1HE LYS 61 2HE LYS 61 73.826 9.166 -0.759 466 2HE LYS 61 3HE LYS 61 72.401 8.130 -0.705 467 1HZ LYS 61 HZ2 LYS 61 72.032 10.213 1.118 468 2HZ LYS 61 HZ1 LYS 61 72.549 10.904 -0.342 469 3HZ LYS 61 HZ3 LYS 61 71.173 9.913 -0.319 470 H THR 62 HN THR 62 76.556 11.335 4.825 471 HA THR 62 HA THR 62 73.978 12.710 4.883 472 HB THR 62 HB THR 62 74.651 13.392 7.165 473 HG1 THR 62 HG1 THR 62 76.713 13.615 7.407 474 1HG2 THR 62 HG22 THR 62 75.230 10.493 6.498 475 2HG2 THR 62 HG21 THR 62 74.916 11.107 8.120 476 3HG2 THR 62 HG23 THR 62 73.652 11.184 6.890 477 H ALA 63 HN ALA 63 74.326 15.108 6.047 478 HA ALA 63 HA ALA 63 75.154 16.812 3.927 479 1HB ALA 63 HB1 ALA 63 73.633 17.366 5.927 480 2HB ALA 63 HB3 ALA 63 75.123 17.653 6.828 481 3HB ALA 63 HB2 ALA 63 74.746 18.626 5.402 482 H THR 64 HN THR 64 76.956 15.419 6.595 483 HA THR 64 HA THR 64 79.253 17.171 6.265 484 HB THR 64 HB THR 64 80.308 15.570 7.829 485 HG1 THR 64 HG1 THR 64 78.498 13.957 6.824 486 1HG2 THR 64 HG21 THR 64 78.532 17.393 8.474 487 2HG2 THR 64 HG23 THR 64 77.532 15.992 8.863 488 3HG2 THR 64 HG22 THR 64 79.074 16.233 9.686 489 H GLY 65 HN GLY 65 77.972 14.656 4.457 490 1HA GLY 65 2HA GLY 65 78.890 13.687 2.498 491 2HA GLY 65 3HA GLY 65 80.443 14.424 2.907 492 H TYR 66 HN TYR 66 80.555 11.824 2.067 493 HA TYR 66 HA TYR 66 80.215 9.908 4.127 494 1HB TYR 66 2HB TYR 66 82.363 9.003 2.541 495 2HB TYR 66 3HB TYR 66 80.665 8.591 2.333 496 HD1 TYR 66 HD2 TYR 66 83.230 11.165 1.440 497 HD2 TYR 66 HD1 TYR 66 79.452 9.366 0.474 498 HE1 TYR 66 HE2 TYR 66 83.167 12.435 -0.690 499 HE2 TYR 66 HE1 TYR 66 79.389 10.634 -1.653 500 HH TYR 66 HH TYR 66 81.137 13.255 -2.278 501 H GLY 67 HN GLY 67 81.608 12.293 5.016 502 1HA GLY 67 2HA GLY 67 83.183 12.531 6.798 503 2HA GLY 67 3HA GLY 67 83.832 10.935 6.393 504 H PHE 68 HN PHE 68 84.294 11.286 3.644 505 HA PHE 68 HA PHE 68 86.675 13.031 3.763 506 1HB PHE 68 2HB PHE 68 85.692 11.031 1.716 507 2HB PHE 68 3HB PHE 68 87.149 12.002 1.497 508 HD1 PHE 68 HD2 PHE 68 89.103 11.703 2.996 509 HD2 PHE 68 HD1 PHE 68 85.617 9.213 3.304 510 HE1 PHE 68 HE2 PHE 68 90.388 10.075 4.359 511 HE2 PHE 68 HE1 PHE 68 86.900 7.586 4.668 512 HZ PHE 68 HZ PHE 68 89.289 8.014 5.192 513 H ALA 69 HN ALA 69 83.471 13.380 2.840 514 HA ALA 69 HA ALA 69 84.057 15.322 0.638 515 1HB ALA 69 HB2 ALA 69 81.783 13.627 1.414 516 2HB ALA 69 HB1 ALA 69 81.314 15.278 1.021 517 3HB ALA 69 HB3 ALA 69 82.186 14.304 -0.157 518 H GLU 70 HN GLU 70 83.994 15.397 3.921 519 HA GLU 70 HA GLU 70 82.205 17.518 4.520 520 1HB GLU 70 2HB GLU 70 83.393 16.126 6.242 521 2HB GLU 70 3HB GLU 70 84.874 17.013 5.876 522 1HG GLU 70 2HG GLU 70 83.834 19.116 6.513 523 2HG GLU 70 3HG GLU 70 82.284 18.310 6.760 524 HA PRO 71 HA PRO 71 85.939 20.363 3.299 525 1HB PRO 71 2HB PRO 71 87.323 18.819 1.225 526 2HB PRO 71 3HB PRO 71 87.997 19.600 2.669 527 1HG PRO 71 2HG PRO 71 87.862 16.928 2.410 528 2HG PRO 71 3HG PRO 71 87.700 17.746 3.974 529 1HD PRO 71 2HD PRO 71 85.531 16.639 2.202 530 2HD PRO 71 3HD PRO 71 85.706 16.525 3.969 531 H TYR 72 HN TYR 72 86.382 21.509 1.084 532 HA TYR 72 HA TYR 72 83.927 21.708 -0.369 533 1HB TYR 72 2HB TYR 72 86.739 22.594 -1.070 534 2HB TYR 72 3HB TYR 72 85.317 23.011 -2.027 535 HD1 TYR 72 HD2 TYR 72 83.578 24.502 -1.129 536 HD2 TYR 72 HD1 TYR 72 87.112 23.555 1.120 537 HE1 TYR 72 HE2 TYR 72 83.101 26.383 0.411 538 HE2 TYR 72 HE1 TYR 72 86.638 25.438 2.660 539 HH TYR 72 HH TYR 72 85.400 27.550 2.647 540 H ASN 73 HN ASN 73 86.423 19.376 -0.545 541 HA ASN 73 HA ASN 73 85.733 18.722 -3.364 542 1HB ASN 73 2HB ASN 73 88.145 18.876 -2.710 543 2HB ASN 73 3HB ASN 73 87.895 17.502 -1.631 544 1HD2 ASN 73 HD22 ASN 73 89.004 15.769 -4.606 545 2HD2 ASN 73 HD21 ASN 73 89.603 16.530 -3.211 546 H LEU 74 HN LEU 74 83.877 17.578 -3.336 547 HA LEU 74 HA LEU 74 83.606 15.279 -1.485 548 1HB LEU 74 2HB LEU 74 81.558 16.795 -3.136 549 2HB LEU 74 3HB LEU 74 81.186 15.386 -2.147 550 HG LEU 74 HG LEU 74 82.400 16.795 -0.256 551 1HD1 LEU 74 HD11 LEU 74 82.754 18.594 -2.208 552 2HD1 LEU 74 HD13 LEU 74 81.148 19.097 -1.687 553 3HD1 LEU 74 HD12 LEU 74 82.483 19.083 -0.536 554 1HD2 LEU 74 HD23 LEU 74 79.915 16.069 -0.515 555 2HD2 LEU 74 HD22 LEU 74 80.271 17.427 0.548 556 3HD2 LEU 74 HD21 LEU 74 79.646 17.718 -1.075 557 H TYR 75 HN TYR 75 84.861 15.812 -4.402 558 HA TYR 75 HA TYR 75 85.245 14.488 -6.295 559 1HB TYR 75 2HB TYR 75 84.018 12.279 -4.609 560 2HB TYR 75 3HB TYR 75 85.017 12.067 -6.048 561 HD1 TYR 75 HD2 TYR 75 84.998 13.094 -2.507 562 HD2 TYR 75 HD1 TYR 75 87.419 12.456 -5.997 563 HE1 TYR 75 HE2 TYR 75 87.043 13.244 -1.115 564 HE2 TYR 75 HE1 TYR 75 89.461 12.612 -4.605 565 HH TYR 75 HH TYR 75 89.271 13.394 -1.143 566 H SER 76 HN SER 76 83.943 12.938 -7.884 567 HA SER 76 HA SER 76 81.203 14.102 -8.047 568 1HB SER 76 2HB SER 76 82.665 14.510 -9.991 569 2HB SER 76 3HB SER 76 82.887 12.774 -10.192 570 HG SER 76 HG SER 76 80.602 12.630 -10.473 571 H SER 77 HN SER 77 82.912 10.994 -8.545 572 HA SER 77 HA SER 77 80.331 9.636 -7.880 573 1HB SER 77 2HB SER 77 82.421 8.788 -9.900 574 2HB SER 77 3HB SER 77 81.019 7.827 -9.446 575 HG SER 77 HG SER 77 79.868 9.932 -10.019 576 H LEU 78 HN LEU 78 80.547 7.598 -6.777 577 HA LEU 78 HA LEU 78 82.499 7.524 -4.708 578 1HB LEU 78 2HB LEU 78 80.679 5.392 -5.857 579 2HB LEU 78 3HB LEU 78 81.675 5.131 -4.425 580 HG LEU 78 HG LEU 78 79.681 7.394 -4.697 581 1HD1 LEU 78 HD12 LEU 78 79.121 4.668 -4.410 582 2HD1 LEU 78 HD11 LEU 78 79.045 5.306 -2.766 583 3HD1 LEU 78 HD13 LEU 78 78.032 6.004 -4.030 584 1HD2 LEU 78 HD21 LEU 78 81.523 6.378 -2.553 585 2HD2 LEU 78 HD23 LEU 78 81.177 8.041 -3.027 586 3HD2 LEU 78 HD22 LEU 78 79.998 7.132 -2.083 587 H LYS 79 HN LYS 79 82.429 6.012 -7.902 588 HA LYS 79 HA LYS 79 84.532 4.146 -7.589 589 1HB LYS 79 2HB LYS 79 83.647 5.800 -9.964 590 2HB LYS 79 3HB LYS 79 84.884 4.547 -10.079 591 1HG LYS 79 2HG LYS 79 83.347 2.846 -9.362 592 2HG LYS 79 3HG LYS 79 82.124 4.049 -8.941 593 1HD LYS 79 2HD LYS 79 81.911 4.693 -11.293 594 2HD LYS 79 3HD LYS 79 83.180 3.553 -11.737 595 1HE LYS 79 2HE LYS 79 80.607 2.746 -10.362 596 2HE LYS 79 3HE LYS 79 80.849 2.674 -12.105 597 1HZ LYS 79 HZ2 LYS 79 82.997 1.462 -10.669 598 2HZ LYS 79 HZ1 LYS 79 81.506 0.732 -10.303 599 3HZ LYS 79 HZ3 LYS 79 82.034 0.822 -11.913 600 H GLU 80 HN GLU 80 84.655 7.605 -8.444 601 HA GLU 80 HA GLU 80 87.516 7.693 -8.730 602 1HB GLU 80 2HB GLU 80 85.547 9.886 -8.013 603 2HB GLU 80 3HB GLU 80 87.225 10.148 -8.496 604 1HG GLU 80 2HG GLU 80 86.807 9.168 -10.672 605 2HG GLU 80 3HG GLU 80 85.175 8.700 -10.192 606 H LEU 81 HN LEU 81 85.323 7.918 -5.986 607 HA LEU 81 HA LEU 81 87.136 9.026 -4.083 608 1HB LEU 81 2HB LEU 81 84.693 8.730 -3.675 609 2HB LEU 81 3HB LEU 81 84.937 6.989 -3.582 610 HG LEU 81 HG LEU 81 86.560 8.834 -1.837 611 1HD1 LEU 81 HD13 LEU 81 83.789 7.774 -1.199 612 2HD1 LEU 81 HD12 LEU 81 84.854 8.611 -0.068 613 3HD1 LEU 81 HD11 LEU 81 84.205 9.469 -1.463 614 1HD2 LEU 81 HD21 LEU 81 85.853 5.933 -1.953 615 2HD2 LEU 81 HD23 LEU 81 87.377 6.704 -1.511 616 3HD2 LEU 81 HD22 LEU 81 86.051 6.650 -0.354 617 H VAL 82 HN VAL 82 86.568 5.678 -5.129 618 HA VAL 82 HA VAL 82 88.374 4.452 -3.255 619 HB VAL 82 HB VAL 82 87.432 3.547 -5.993 620 1HG1 VAL 82 HG11 VAL 82 89.024 2.159 -3.828 621 2HG1 VAL 82 HG13 VAL 82 88.100 1.260 -5.034 622 3HG1 VAL 82 HG12 VAL 82 89.419 2.316 -5.541 623 1HG2 VAL 82 HG22 VAL 82 86.370 3.375 -3.213 624 2HG2 VAL 82 HG21 VAL 82 85.502 3.478 -4.742 625 3HG2 VAL 82 HG23 VAL 82 86.191 1.942 -4.222 626 H LEU 83 HN LEU 83 88.775 5.567 -6.613 627 HA LEU 83 HA LEU 83 91.511 4.736 -6.876 628 1HB LEU 83 2HB LEU 83 89.875 6.840 -8.309 629 2HB LEU 83 3HB LEU 83 91.519 6.402 -8.783 630 HG LEU 83 HG LEU 83 89.211 4.447 -8.574 631 1HD1 LEU 83 HD12 LEU 83 90.280 6.133 -10.795 632 2HD1 LEU 83 HD11 LEU 83 89.795 4.481 -11.184 633 3HD1 LEU 83 HD13 LEU 83 88.627 5.603 -10.484 634 1HD2 LEU 83 HD23 LEU 83 92.125 4.254 -9.272 635 2HD2 LEU 83 HD22 LEU 83 91.134 3.155 -8.314 636 3HD2 LEU 83 HD21 LEU 83 90.982 3.176 -10.072 637 H HIS 84 HN HIS 84 90.044 7.847 -5.954 638 HA HIS 84 HA HIS 84 92.458 9.331 -5.800 639 1HB HIS 84 2HB HIS 84 90.165 10.305 -5.687 640 2HB HIS 84 3HB HIS 84 89.998 9.640 -4.062 641 HD1 HIS 84 HD1 HIS 84 92.424 11.898 -5.961 642 HD2 HIS 84 HD2 HIS 84 90.924 11.347 -2.113 643 HE1 HIS 84 HE1 HIS 84 93.389 13.763 -4.543 644 H TYR 85 HN TYR 85 90.844 7.299 -3.354 645 HA TYR 85 HA TYR 85 92.694 7.961 -1.246 646 1HB TYR 85 2HB TYR 85 90.953 5.510 -1.639 647 2HB TYR 85 3HB TYR 85 91.833 5.889 -0.161 648 HD1 TYR 85 HD2 TYR 85 90.832 8.970 -1.603 649 HD2 TYR 85 HD1 TYR 85 89.281 5.615 0.602 650 HE1 TYR 85 HE2 TYR 85 88.950 10.356 -0.813 651 HE2 TYR 85 HE1 TYR 85 87.396 7.019 1.388 652 HH TYR 85 HH TYR 85 86.974 10.345 0.234 653 H GLN 86 HN GLN 86 92.837 5.818 -3.976 654 HA GLN 86 HA GLN 86 94.870 4.016 -3.077 655 1HB GLN 86 2HB GLN 86 93.613 3.677 -5.183 656 2HB GLN 86 3HB GLN 86 94.392 5.100 -5.873 657 1HG GLN 86 2HG GLN 86 96.543 4.078 -5.819 658 2HG GLN 86 3HG GLN 86 95.974 2.764 -4.794 659 1HE2 GLN 86 HE22 GLN 86 95.798 2.287 -8.748 660 2HE2 GLN 86 HE21 GLN 86 96.747 3.461 -7.972 661 H HIS 87 HN HIS 87 95.024 7.270 -4.468 662 HA HIS 87 HA HIS 87 97.979 7.215 -4.419 663 1HB HIS 87 2HB HIS 87 96.049 9.416 -5.215 664 2HB HIS 87 3HB HIS 87 97.797 9.453 -5.439 665 HD1 HIS 87 HD1 HIS 87 98.767 7.391 -6.963 666 HD2 HIS 87 HD2 HIS 87 94.700 8.225 -7.324 667 HE1 HIS 87 HE1 HIS 87 97.996 6.283 -9.107 668 H THR 88 HN THR 88 95.362 8.154 -2.409 669 HA THR 88 HA THR 88 97.101 10.004 -0.844 670 HB THR 88 HB THR 88 94.147 9.393 -0.498 671 HG1 THR 88 HG1 THR 88 95.569 11.267 -2.025 672 1HG2 THR 88 HG23 THR 88 95.899 10.555 1.272 673 2HG2 THR 88 HG22 THR 88 95.261 11.957 0.411 674 3HG2 THR 88 HG21 THR 88 94.161 10.851 1.233 675 H SER 89 HN SER 89 97.990 9.322 1.040 676 HA SER 89 HA SER 89 97.543 6.559 1.894 677 1HB SER 89 2HB SER 89 99.800 7.592 1.925 678 2HB SER 89 3HB SER 89 99.238 8.738 3.138 679 HG SER 89 HG SER 89 99.724 7.239 4.524 680 H LEU 90 HN LEU 90 96.269 5.912 3.554 681 HA LEU 90 HA LEU 90 94.445 7.767 4.803 682 1HB LEU 90 2HB LEU 90 95.107 4.856 5.306 683 2HB LEU 90 3HB LEU 90 93.871 5.723 6.222 684 HG LEU 90 HG LEU 90 93.895 5.613 3.198 685 1HD1 LEU 90 HD13 LEU 90 92.828 3.687 5.221 686 2HD1 LEU 90 HD12 LEU 90 91.835 4.026 3.800 687 3HD1 LEU 90 HD11 LEU 90 93.463 3.379 3.602 688 1HD2 LEU 90 HD22 LEU 90 92.399 7.064 5.163 689 2HD2 LEU 90 HD21 LEU 90 92.216 7.089 3.405 690 3HD2 LEU 90 HD23 LEU 90 91.312 5.919 4.370 691 H VAL 91 HN VAL 91 97.657 6.910 5.475 692 HA VAL 91 HA VAL 91 98.115 6.799 8.177 693 HB VAL 91 HB VAL 91 99.854 7.127 6.379 694 1HG1 VAL 91 HG11 VAL 91 98.461 9.364 5.744 695 2HG1 VAL 91 HG13 VAL 91 99.700 10.070 6.782 696 3HG1 VAL 91 HG12 VAL 91 100.166 9.153 5.349 697 1HG2 VAL 91 HG23 VAL 91 99.841 8.605 8.997 698 2HG2 VAL 91 HG22 VAL 91 100.770 7.179 8.527 699 3HG2 VAL 91 HG21 VAL 91 101.230 8.770 7.921 700 H GLN 92 HN GLN 92 96.883 9.598 6.430 701 HA GLN 92 HA GLN 92 97.130 11.498 8.551 702 1HB GLN 92 2HB GLN 92 96.718 12.081 6.172 703 2HB GLN 92 3HB GLN 92 95.089 11.414 6.315 704 1HG GLN 92 2HG GLN 92 94.535 13.038 8.047 705 2HG GLN 92 3HG GLN 92 96.185 13.667 8.020 706 1HE2 GLN 92 HE22 GLN 92 95.736 15.197 4.746 707 2HE2 GLN 92 HE21 GLN 92 96.890 14.309 5.617 708 H HIS 93 HN HIS 93 94.279 9.543 7.528 709 HA HIS 93 HA HIS 93 92.498 10.490 9.495 710 1HB HIS 93 2HB HIS 93 91.904 8.856 7.688 711 2HB HIS 93 3HB HIS 93 92.780 7.608 8.570 712 HD1 HIS 93 HD1 HIS 93 89.914 10.053 9.136 713 HD2 HIS 93 HD2 HIS 93 91.225 6.331 10.480 714 HE1 HIS 93 HE1 HIS 93 88.124 9.188 10.708 715 H ASN 94 HN ASN 94 94.882 7.893 9.642 716 HA ASN 94 HA ASN 94 94.982 8.229 12.608 717 1HB ASN 94 2HB ASN 94 93.916 6.032 11.804 718 2HB ASN 94 3HB ASN 94 95.502 5.633 11.145 719 1HD2 ASN 94 HD22 ASN 94 94.992 5.721 15.212 720 2HD2 ASN 94 HD21 ASN 94 93.888 6.533 14.213 721 H ASP 95 HN ASP 95 96.944 9.256 12.900 722 HA ASP 95 HA ASP 95 98.999 9.653 11.167 723 1HB ASP 95 2HB ASP 95 99.215 8.966 14.107 724 2HB ASP 95 3HB ASP 95 100.597 9.503 13.153 725 H SER 96 HN SER 96 98.162 6.570 12.539 726 HA SER 96 HA SER 96 100.608 5.444 11.278 727 1HB SER 96 2HB SER 96 98.791 4.250 13.387 728 2HB SER 96 3HB SER 96 100.174 3.428 12.676 729 HG SER 96 HG SER 96 100.309 4.842 14.756 730 H LEU 97 HN LEU 97 98.047 6.191 9.831 731 HA LEU 97 HA LEU 97 97.168 3.441 9.036 732 1HB LEU 97 2HB LEU 97 95.898 6.075 9.029 733 2HB LEU 97 3HB LEU 97 95.768 5.280 7.464 734 HG LEU 97 HG LEU 97 95.096 3.840 10.033 735 1HD1 LEU 97 HD12 LEU 97 93.726 5.968 9.655 736 2HD1 LEU 97 HD11 LEU 97 93.118 5.205 8.190 737 3HD1 LEU 97 HD13 LEU 97 92.800 4.472 9.760 738 1HD2 LEU 97 HD23 LEU 97 94.396 3.434 7.108 739 2HD2 LEU 97 HD22 LEU 97 95.479 2.430 8.077 740 3HD2 LEU 97 HD21 LEU 97 93.753 2.463 8.435 741 H ASN 98 HN ASN 98 99.561 3.409 8.188 742 HA ASN 98 HA ASN 98 100.019 4.933 5.739 743 1HB ASN 98 2HB ASN 98 101.824 4.251 7.323 744 2HB ASN 98 3HB ASN 98 101.550 2.570 6.854 745 1HD2 ASN 98 HD21 ASN 98 100.953 4.621 4.218 746 2HD2 ASN 98 HD22 ASN 98 102.449 4.464 3.440 747 H VAL 99 HN VAL 99 97.973 4.122 4.719 748 HA VAL 99 HA VAL 99 98.581 1.767 3.051 749 HB VAL 99 HB VAL 99 96.116 1.934 4.805 750 1HG1 VAL 99 HG13 VAL 99 96.897 0.189 2.493 751 2HG1 VAL 99 HG12 VAL 99 95.883 -0.466 3.776 752 3HG1 VAL 99 HG11 VAL 99 95.340 0.930 2.851 753 1HG2 VAL 99 HG23 VAL 99 98.471 0.024 4.780 754 2HG2 VAL 99 HG22 VAL 99 98.084 1.193 6.043 755 3HG2 VAL 99 HG21 VAL 99 97.017 -0.177 5.758 756 H THR 100 HN THR 100 97.248 1.694 1.163 757 HA THR 100 HA THR 100 95.463 4.047 0.734 758 HB THR 100 HB THR 100 96.420 4.386 -1.491 759 HG1 THR 100 HG1 THR 100 98.201 2.305 -0.758 760 1HG2 THR 100 HG22 THR 100 98.173 4.454 0.916 761 2HG2 THR 100 HG21 THR 100 98.941 4.720 -0.644 762 3HG2 THR 100 HG23 THR 100 97.629 5.772 -0.119 763 H LEU 101 HN LEU 101 93.835 3.610 -0.987 764 HA LEU 101 HA LEU 101 93.022 0.798 -0.958 765 1HB LEU 101 2HB LEU 101 91.897 3.075 -2.624 766 2HB LEU 101 3HB LEU 101 91.125 1.522 -2.304 767 HG LEU 101 HG LEU 101 91.632 3.788 -0.396 768 1HD1 LEU 101 HD12 LEU 101 89.306 2.435 -1.604 769 2HD1 LEU 101 HD11 LEU 101 89.156 2.751 0.121 770 3HD1 LEU 101 HD13 LEU 101 89.458 4.079 -0.996 771 1HD2 LEU 101 HD23 LEU 101 91.188 0.878 0.241 772 2HD2 LEU 101 HD22 LEU 101 92.470 1.932 0.832 773 3HD2 LEU 101 HD21 LEU 101 90.813 2.161 1.387 774 H ALA 102 HN ALA 102 95.198 0.182 -1.977 775 HA ALA 102 HA ALA 102 95.240 0.731 -4.894 776 1HB ALA 102 HB3 ALA 102 97.298 1.149 -3.583 777 2HB ALA 102 HB2 ALA 102 97.344 -0.558 -3.143 778 3HB ALA 102 HB1 ALA 102 97.541 -0.079 -4.827 779 H TYR 103 HN TYR 103 95.004 -2.037 -2.643 780 HA TYR 103 HA TYR 103 94.807 -3.752 -5.082 781 1HB TYR 103 2HB TYR 103 95.561 -4.482 -2.252 782 2HB TYR 103 3HB TYR 103 95.381 -5.638 -3.573 783 HD1 TYR 103 HD1 TYR 103 96.911 -5.582 -5.520 784 HD2 TYR 103 HD2 TYR 103 97.444 -2.981 -2.143 785 HE1 TYR 103 HE1 TYR 103 99.217 -5.073 -6.278 786 HE2 TYR 103 HE2 TYR 103 99.749 -2.472 -2.900 787 HH TYR 103 HH TYR 103 101.373 -4.288 -5.195 788 HA PRO 104 HA PRO 104 90.434 -3.999 -3.821 789 1HB PRO 104 2HB PRO 104 90.295 -5.782 -6.165 790 2HB PRO 104 3HB PRO 104 89.397 -4.297 -5.825 791 1HG PRO 104 2HG PRO 104 91.354 -4.482 -7.689 792 2HG PRO 104 3HG PRO 104 90.917 -2.981 -6.861 793 1HD PRO 104 2HD PRO 104 93.304 -4.704 -6.489 794 2HD PRO 104 3HD PRO 104 93.094 -2.969 -6.172 795 H VAL 105 HN VAL 105 89.298 -5.756 -2.814 796 HA VAL 105 HA VAL 105 90.929 -7.941 -1.875 797 HB VAL 105 HB VAL 105 88.904 -6.925 -0.713 798 1HG1 VAL 105 HG11 VAL 105 87.448 -7.063 -2.766 799 2HG1 VAL 105 HG13 VAL 105 87.417 -8.812 -2.552 800 3HG1 VAL 105 HG12 VAL 105 86.714 -7.765 -1.322 801 1HG2 VAL 105 HG21 VAL 105 90.011 -9.441 -0.554 802 2HG2 VAL 105 HG23 VAL 105 88.824 -8.785 0.573 803 3HG2 VAL 105 HG22 VAL 105 88.298 -9.801 -0.769 804 H TYR 106 HN TYR 106 88.575 -7.577 -4.481 805 HA TYR 106 HA TYR 106 89.060 -10.414 -5.262 806 1HB TYR 106 2HB TYR 106 86.779 -8.523 -5.777 807 2HB TYR 106 3HB TYR 106 87.022 -9.933 -6.800 808 HD1 TYR 106 HD1 TYR 106 87.481 -12.196 -5.451 809 HD2 TYR 106 HD2 TYR 106 85.437 -8.761 -3.873 810 HE1 TYR 106 HE1 TYR 106 86.397 -13.627 -3.741 811 HE2 TYR 106 HE2 TYR 106 84.352 -10.197 -2.164 812 HH TYR 106 HH TYR 106 84.112 -13.406 -2.336 813 H ALA 107 HN ALA 107 91.065 -8.432 -5.830 814 HA ALA 107 HA ALA 107 90.723 -7.662 -8.652 815 1HB ALA 107 HB2 ALA 107 92.238 -6.624 -6.601 816 2HB ALA 107 HB1 ALA 107 93.439 -7.527 -7.518 817 3HB ALA 107 HB3 ALA 107 92.489 -6.271 -8.310 818 H GLN 108 HN GLN 108 91.049 -9.132 -10.233 819 HA GLN 108 HA GLN 108 91.820 -11.058 -11.339 820 1HB GLN 108 2HB GLN 108 94.356 -10.184 -9.916 821 2HB GLN 108 3HB GLN 108 94.293 -11.360 -11.233 822 1HG GLN 108 2HG GLN 108 93.090 -8.620 -11.576 823 2HG GLN 108 3HG GLN 108 94.820 -8.875 -11.809 824 1HE2 GLN 108 HE22 GLN 108 94.209 -9.883 -15.117 825 2HE2 GLN 108 HE21 GLN 108 95.124 -8.942 -14.040 826 H GLN 109 HN GLN 109 90.459 -11.745 -8.992 827 HA GLN 109 HA GLN 109 92.221 -13.795 -7.734 828 1HB GLN 109 2HB GLN 109 89.561 -12.647 -6.858 829 2HB GLN 109 3HB GLN 109 90.386 -13.969 -6.032 830 1HG GLN 109 2HG GLN 109 92.432 -12.334 -6.025 831 2HG GLN 109 3HG GLN 109 91.203 -11.090 -6.268 832 1HE2 GLN 109 HE22 GLN 109 91.769 -12.365 -2.574 833 2HE2 GLN 109 HE21 GLN 109 92.911 -12.444 -3.828 834 H ARG 110 HN ARG 110 91.840 -15.929 -8.031 835 HA ARG 110 HA ARG 110 90.204 -16.849 -10.171 836 1HB ARG 110 2HB ARG 110 91.464 -18.299 -7.828 837 2HB ARG 110 3HB ARG 110 90.643 -19.129 -9.154 838 1HG ARG 110 2HG ARG 110 92.186 -18.151 -10.775 839 2HG ARG 110 3HG ARG 110 92.966 -17.209 -9.504 840 1HD ARG 110 2HD ARG 110 93.644 -19.299 -8.376 841 2HD ARG 110 3HD ARG 110 92.887 -20.236 -9.665 842 HE ARG 110 HE ARG 110 94.649 -18.584 -11.014 843 1HH1 ARG 110 HH21 ARG 110 94.795 -20.782 -8.370 844 2HH1 ARG 110 HH22 ARG 110 96.442 -21.233 -8.656 845 1HH2 ARG 110 HH11 ARG 110 96.811 -19.150 -11.405 846 2HH2 ARG 110 HH12 ARG 110 97.586 -20.306 -10.370 847 H ARG 111 HN ARG 111 89.563 -16.626 -6.681 848 HA ARG 111 HA ARG 111 86.880 -17.831 -7.131 849 1HB ARG 111 2HB ARG 111 88.198 -18.633 -5.182 850 2HB ARG 111 3HB ARG 111 88.213 -16.990 -4.537 851 1HG ARG 111 2HG ARG 111 86.365 -17.834 -3.417 852 2HG ARG 111 3HG ARG 111 85.582 -17.203 -4.866 853 1HD ARG 111 2HD ARG 111 86.541 -20.063 -4.606 854 2HD ARG 111 3HD ARG 111 84.893 -19.553 -4.251 855 HE ARG 111 HE ARG 111 85.401 -18.578 -6.813 856 1HH1 ARG 111 HH21 ARG 111 85.495 -21.601 -5.168 857 2HH1 ARG 111 HH22 ARG 111 85.127 -22.535 -6.582 858 1HH2 ARG 111 HH11 ARG 111 84.911 -19.771 -8.668 859 2HH2 ARG 111 HH12 ARG 111 84.797 -21.497 -8.565 No H/Q in entry = 859 Start of MODEL 3 1 1H GLU 1 HT2 GLU 1 98.069 -0.490 -15.497 2 2H GLU 1 HT1 GLU 1 99.203 -1.405 -16.370 3 3H GLU 1 HT3 GLU 1 98.844 0.182 -16.853 4 HA GLU 1 HA GLU 1 97.442 -0.752 -18.297 5 1HB GLU 1 2HB GLU 1 96.705 -3.096 -18.104 6 2HB GLU 1 3HB GLU 1 98.448 -2.976 -17.849 7 1HG GLU 1 2HG GLU 1 97.982 -2.862 -15.368 8 2HG GLU 1 3HG GLU 1 96.303 -3.256 -15.735 9 H ASP 2 HN ASP 2 95.043 -2.138 -17.854 10 HA ASP 2 HA ASP 2 93.392 -0.093 -16.722 11 1HB ASP 2 2HB ASP 2 92.842 -3.006 -17.353 12 2HB ASP 2 3HB ASP 2 91.590 -1.866 -16.846 13 H LEU 3 HN LEU 3 92.698 0.233 -14.642 14 HA LEU 3 HA LEU 3 93.731 -1.573 -12.534 15 1HB LEU 3 2HB LEU 3 92.228 1.067 -12.385 16 2HB LEU 3 3HB LEU 3 92.873 0.196 -10.997 17 HG LEU 3 HG LEU 3 94.554 1.151 -13.330 18 1HD1 LEU 3 HD12 LEU 3 93.468 2.947 -11.857 19 2HD1 LEU 3 HD11 LEU 3 94.448 2.307 -10.538 20 3HD1 LEU 3 HD13 LEU 3 95.229 2.988 -11.966 21 1HD2 LEU 3 HD22 LEU 3 95.012 -0.454 -10.881 22 2HD2 LEU 3 HD21 LEU 3 95.903 -0.448 -12.402 23 3HD2 LEU 3 HD23 LEU 3 96.209 0.804 -11.196 24 HA PRO 4 HA PRO 4 89.883 -3.739 -12.114 25 1HB PRO 4 2HB PRO 4 89.975 -4.294 -9.417 26 2HB PRO 4 3HB PRO 4 90.874 -5.193 -10.654 27 1HG PRO 4 2HG PRO 4 91.814 -3.045 -8.826 28 2HG PRO 4 3HG PRO 4 92.644 -4.513 -9.359 29 1HD PRO 4 2HD PRO 4 93.210 -2.074 -10.416 30 2HD PRO 4 3HD PRO 4 93.312 -3.569 -11.375 31 H HIS 5 HN HIS 5 90.465 -0.741 -10.655 32 HA HIS 5 HA HIS 5 88.092 -0.535 -9.035 33 1HB HIS 5 2HB HIS 5 90.068 1.408 -10.167 34 2HB HIS 5 3HB HIS 5 88.532 2.032 -9.561 35 HD1 HIS 5 HD1 HIS 5 91.802 1.518 -8.374 36 HD2 HIS 5 HD2 HIS 5 88.054 0.584 -6.804 37 HE1 HIS 5 HE1 HIS 5 92.125 1.196 -5.880 38 H HIS 6 HN HIS 6 88.645 -0.433 -12.458 39 HA HIS 6 HA HIS 6 86.389 1.135 -13.241 40 1HB HIS 6 2HB HIS 6 87.757 -1.210 -14.595 41 2HB HIS 6 3HB HIS 6 86.462 -0.275 -15.350 42 HD1 HIS 6 HD1 HIS 6 86.959 2.447 -15.345 43 HD2 HIS 6 HD2 HIS 6 90.265 -0.075 -15.026 44 HE1 HIS 6 HE1 HIS 6 88.987 3.846 -15.929 45 H ASP 7 HN ASP 7 86.714 -2.221 -12.187 46 HA ASP 7 HA ASP 7 83.813 -2.652 -12.597 47 1HB ASP 7 2HB ASP 7 85.496 -4.398 -13.295 48 2HB ASP 7 3HB ASP 7 85.883 -4.618 -11.590 49 H GLU 8 HN GLU 8 82.443 -2.430 -10.928 50 HA GLU 8 HA GLU 8 83.302 -1.557 -8.330 51 1HB GLU 8 2HB GLU 8 81.127 -0.996 -9.468 52 2HB GLU 8 3HB GLU 8 80.600 -2.651 -9.172 53 1HG GLU 8 2HG GLU 8 80.580 -2.344 -6.834 54 2HG GLU 8 3HG GLU 8 81.557 -0.882 -6.923 55 H LYS 9 HN LYS 9 82.532 -4.687 -9.688 56 HA LYS 9 HA LYS 9 82.028 -6.126 -7.286 57 1HB LYS 9 2HB LYS 9 81.498 -7.085 -9.433 58 2HB LYS 9 3HB LYS 9 83.183 -7.010 -9.940 59 1HG LYS 9 2HG LYS 9 83.020 -8.456 -7.454 60 2HG LYS 9 3HG LYS 9 81.869 -9.137 -8.598 61 1HD LYS 9 2HD LYS 9 83.977 -10.263 -8.928 62 2HD LYS 9 3HD LYS 9 83.721 -9.189 -10.302 63 1HE LYS 9 2HE LYS 9 85.199 -7.516 -9.345 64 2HE LYS 9 3HE LYS 9 85.346 -8.459 -7.860 65 1HZ LYS 9 HZ2 LYS 9 85.995 -10.221 -9.832 66 2HZ LYS 9 HZ1 LYS 9 86.714 -8.770 -10.352 67 3HZ LYS 9 HZ3 LYS 9 87.093 -9.405 -8.827 68 H THR 10 HN THR 10 85.055 -5.083 -8.699 69 HA THR 10 HA THR 10 86.797 -6.928 -7.401 70 HB THR 10 HB THR 10 88.530 -5.169 -7.840 71 HG1 THR 10 HG1 THR 10 86.509 -3.706 -9.096 72 1HG2 THR 10 HG23 THR 10 86.565 -5.966 -9.975 73 2HG2 THR 10 HG22 THR 10 88.022 -5.055 -10.354 74 3HG2 THR 10 HG21 THR 10 88.148 -6.659 -9.634 75 H TRP 11 HN TRP 11 85.278 -3.994 -6.109 76 HA TRP 11 HA TRP 11 86.698 -4.606 -3.535 77 1HB TRP 11 2HB TRP 11 85.951 -1.969 -3.277 78 2HB TRP 11 3HB TRP 11 87.564 -2.514 -3.752 79 HD1 TRP 11 HD1 TRP 11 87.723 -3.105 -6.483 80 HE1 TRP 11 HE1 TRP 11 86.845 -1.678 -8.449 81 HE3 TRP 11 HE3 TRP 11 84.394 -0.188 -3.979 82 HZ2 TRP 11 HZ2 TRP 11 84.970 0.467 -8.870 83 HZ3 TRP 11 HZ3 TRP 11 83.074 1.541 -5.164 84 HH2 TRP 11 HH2 TRP 11 83.363 1.875 -7.606 85 H ASN 12 HN ASN 12 83.678 -3.644 -5.084 86 HA ASN 12 HA ASN 12 82.211 -3.309 -2.601 87 1HB ASN 12 2HB ASN 12 81.353 -3.757 -5.456 88 2HB ASN 12 3HB ASN 12 80.199 -3.576 -4.142 89 1HD2 ASN 12 HD22 ASN 12 82.536 -0.263 -4.235 90 2HD2 ASN 12 HD21 ASN 12 83.186 -1.787 -3.864 91 H VAL 13 HN VAL 13 81.303 -4.888 -1.361 92 HA VAL 13 HA VAL 13 81.256 -7.645 -2.529 93 HB VAL 13 HB VAL 13 81.538 -6.801 0.366 94 1HG1 VAL 13 HG11 VAL 13 81.063 -9.382 -1.034 95 2HG1 VAL 13 HG13 VAL 13 82.242 -9.404 0.277 96 3HG1 VAL 13 HG12 VAL 13 80.589 -8.880 0.588 97 1HG2 VAL 13 HG22 VAL 13 83.510 -7.935 -1.640 98 2HG2 VAL 13 HG21 VAL 13 83.563 -6.335 -0.900 99 3HG2 VAL 13 HG23 VAL 13 83.833 -7.773 0.085 100 H GLY 14 HN GLY 14 79.371 -5.089 -1.362 101 1HA GLY 14 2HA GLY 14 76.976 -5.062 -1.437 102 2HA GLY 14 3HA GLY 14 76.980 -6.828 -1.422 103 H SER 15 HN SER 15 75.460 -6.856 0.329 104 HA SER 15 HA SER 15 76.168 -5.589 2.881 105 1HB SER 15 2HB SER 15 74.086 -6.747 3.668 106 2HB SER 15 3HB SER 15 73.821 -5.730 2.255 107 HG SER 15 HG SER 15 74.185 -8.549 2.336 108 H SER 16 HN SER 16 77.780 -6.550 4.075 109 HA SER 16 HA SER 16 77.734 -9.536 4.276 110 1HB SER 16 2HB SER 16 80.162 -7.721 4.201 111 2HB SER 16 3HB SER 16 80.209 -9.450 4.539 112 HG SER 16 HG SER 16 79.870 -9.854 2.490 113 H ASN 17 HN ASN 17 78.035 -10.390 6.315 114 HA ASN 17 HA ASN 17 77.406 -8.725 8.573 115 1HB ASN 17 2HB ASN 17 76.856 -11.148 8.430 116 2HB ASN 17 3HB ASN 17 78.575 -11.524 8.539 117 1HD2 ASN 17 HD22 ASN 17 77.409 -11.759 12.004 118 2HD2 ASN 17 HD21 ASN 17 77.313 -12.652 10.564 119 H ARG 18 HN ARG 18 78.785 -8.072 10.287 120 HA ARG 18 HA ARG 18 81.393 -7.250 9.520 121 1HB ARG 18 2HB ARG 18 80.072 -7.505 12.223 122 2HB ARG 18 3HB ARG 18 81.684 -6.819 12.009 123 1HG ARG 18 2HG ARG 18 80.775 -5.155 10.436 124 2HG ARG 18 3HG ARG 18 79.162 -5.835 10.647 125 1HD ARG 18 2HD ARG 18 80.854 -4.656 12.868 126 2HD ARG 18 3HD ARG 18 79.519 -3.830 12.066 127 HE ARG 18 HE ARG 18 78.359 -6.168 12.956 128 1HH1 ARG 18 HH21 ARG 18 80.360 -3.753 14.380 129 2HH1 ARG 18 HH22 ARG 18 79.585 -3.833 15.928 130 1HH2 ARG 18 HH11 ARG 18 77.339 -6.288 14.994 131 2HH2 ARG 18 HH12 ARG 18 77.881 -5.253 16.270 132 H ASN 19 HN ASN 19 80.314 -10.065 11.396 133 HA ASN 19 HA ASN 19 82.920 -11.003 12.105 134 1HB ASN 19 2HB ASN 19 81.795 -13.212 12.371 135 2HB ASN 19 3HB ASN 19 80.867 -11.913 13.121 136 1HD2 ASN 19 HD22 ASN 19 78.315 -13.675 11.181 137 2HD2 ASN 19 HD21 ASN 19 79.160 -13.843 12.642 138 H LYS 20 HN LYS 20 80.996 -11.301 9.163 139 HA LYS 20 HA LYS 20 82.808 -13.231 7.934 140 1HB LYS 20 2HB LYS 20 80.433 -13.145 7.278 141 2HB LYS 20 3HB LYS 20 80.638 -11.485 6.719 142 1HG LYS 20 2HG LYS 20 80.843 -12.736 4.739 143 2HG LYS 20 3HG LYS 20 82.518 -12.465 5.211 144 1HD LYS 20 2HD LYS 20 82.242 -14.807 4.608 145 2HD LYS 20 3HD LYS 20 82.525 -14.693 6.343 146 1HE LYS 20 2HE LYS 20 80.383 -15.350 6.874 147 2HE LYS 20 3HE LYS 20 79.686 -14.622 5.426 148 1HZ LYS 20 HZ1 LYS 20 81.153 -16.486 4.295 149 2HZ LYS 20 HZ3 LYS 20 80.907 -17.252 5.789 150 3HZ LYS 20 HZ2 LYS 20 79.573 -16.797 4.839 151 H ALA 21 HN ALA 21 82.372 -9.743 7.941 152 HA ALA 21 HA ALA 21 84.111 -9.064 5.795 153 1HB ALA 21 HB2 ALA 21 82.552 -7.511 7.085 154 2HB ALA 21 HB1 ALA 21 83.790 -7.464 8.343 155 3HB ALA 21 HB3 ALA 21 84.150 -6.858 6.726 156 H GLU 22 HN GLU 22 84.807 -9.512 9.288 157 HA GLU 22 HA GLU 22 87.583 -8.901 9.099 158 1HB GLU 22 2HB GLU 22 87.778 -10.406 11.150 159 2HB GLU 22 3HB GLU 22 86.651 -9.061 11.294 160 1HG GLU 22 2HG GLU 22 84.766 -10.531 10.834 161 2HG GLU 22 3HG GLU 22 85.857 -11.888 10.535 162 H ASN 23 HN ASN 23 85.852 -12.013 8.790 163 HA ASN 23 HA ASN 23 88.114 -13.660 8.319 164 1HB ASN 23 2HB ASN 23 85.289 -13.820 7.204 165 2HB ASN 23 3HB ASN 23 86.499 -15.078 6.955 166 1HD2 ASN 23 HD22 ASN 23 84.487 -15.925 10.020 167 2HD2 ASN 23 HD21 ASN 23 84.097 -15.645 8.392 168 H LEU 24 HN LEU 24 86.179 -11.653 6.081 169 HA LEU 24 HA LEU 24 87.705 -12.377 3.729 170 1HB LEU 24 2HB LEU 24 86.031 -9.905 4.294 171 2HB LEU 24 3HB LEU 24 86.706 -10.329 2.723 172 HG LEU 24 HG LEU 24 84.825 -12.096 4.296 173 1HD1 LEU 24 HD12 LEU 24 84.377 -10.118 2.061 174 2HD1 LEU 24 HD11 LEU 24 83.287 -11.484 2.308 175 3HD1 LEU 24 HD13 LEU 24 83.493 -10.277 3.578 176 1HD2 LEU 24 HD21 LEU 24 86.414 -12.366 1.806 177 2HD2 LEU 24 HD23 LEU 24 85.846 -13.612 2.917 178 3HD2 LEU 24 HD22 LEU 24 84.749 -12.935 1.712 179 H LEU 25 HN LEU 25 88.072 -9.996 6.281 180 HA LEU 25 HA LEU 25 90.278 -8.647 4.828 181 1HB LEU 25 2HB LEU 25 89.051 -8.182 7.569 182 2HB LEU 25 3HB LEU 25 90.358 -7.214 6.892 183 HG LEU 25 HG LEU 25 87.886 -7.589 5.247 184 1HD1 LEU 25 HD12 LEU 25 87.218 -6.979 7.653 185 2HD1 LEU 25 HD11 LEU 25 88.068 -5.456 7.389 186 3HD1 LEU 25 HD13 LEU 25 86.678 -5.875 6.388 187 1HD2 LEU 25 HD21 LEU 25 90.041 -6.349 4.576 188 2HD2 LEU 25 HD23 LEU 25 88.528 -5.467 4.362 189 3HD2 LEU 25 HD22 LEU 25 89.563 -5.116 5.747 190 H ARG 26 HN ARG 26 89.855 -11.308 6.872 191 HA ARG 26 HA ARG 26 92.489 -11.046 8.157 192 1HB ARG 26 2HB ARG 26 91.268 -12.109 9.739 193 2HB ARG 26 3HB ARG 26 90.025 -12.581 8.584 194 1HG ARG 26 2HG ARG 26 91.221 -14.510 7.923 195 2HG ARG 26 3HG ARG 26 92.705 -13.958 8.700 196 1HD ARG 26 2HD ARG 26 91.581 -14.118 10.909 197 2HD ARG 26 3HD ARG 26 90.146 -14.761 10.111 198 HE ARG 26 HE ARG 26 92.198 -16.441 9.278 199 1HH1 ARG 26 HH21 ARG 26 90.960 -15.285 12.272 200 2HH1 ARG 26 HH22 ARG 26 91.373 -16.715 13.155 201 1HH2 ARG 26 HH11 ARG 26 92.747 -18.333 10.411 202 2HH2 ARG 26 HH12 ARG 26 92.383 -18.448 12.102 203 H GLY 27 HN GLY 27 94.306 -11.899 7.251 204 1HA GLY 27 2HA GLY 27 95.530 -13.682 6.153 205 2HA GLY 27 3HA GLY 27 94.014 -14.237 5.438 206 H LYS 28 HN LYS 28 93.994 -10.958 5.164 207 HA LYS 28 HA LYS 28 94.894 -11.110 2.342 208 1HB LYS 28 2HB LYS 28 93.345 -8.967 3.843 209 2HB LYS 28 3HB LYS 28 93.744 -8.909 2.132 210 1HG LYS 28 2HG LYS 28 92.089 -11.100 3.425 211 2HG LYS 28 3HG LYS 28 91.412 -9.713 2.576 212 1HD LYS 28 2HD LYS 28 93.301 -10.722 0.791 213 2HD LYS 28 3HD LYS 28 92.559 -12.163 1.485 214 1HE LYS 28 2HE LYS 28 90.328 -11.324 0.915 215 2HE LYS 28 3HE LYS 28 91.029 -9.834 0.295 216 1HZ LYS 28 HZ1 LYS 28 92.411 -11.723 -1.033 217 2HZ LYS 28 HZ3 LYS 28 90.877 -12.438 -0.929 218 3HZ LYS 28 HZ2 LYS 28 91.053 -10.908 -1.650 219 H ARG 29 HN ARG 29 96.601 -9.849 1.628 220 HA ARG 29 HA ARG 29 98.520 -8.938 3.604 221 1HB ARG 29 2HB ARG 29 98.464 -8.536 0.594 222 2HB ARG 29 3HB ARG 29 99.856 -8.254 1.640 223 1HG ARG 29 2HG ARG 29 99.673 -10.678 2.363 224 2HG ARG 29 3HG ARG 29 98.487 -10.897 1.077 225 1HD ARG 29 2HD ARG 29 100.158 -10.114 -0.578 226 2HD ARG 29 3HD ARG 29 101.340 -9.940 0.714 227 HE ARG 29 HE ARG 29 100.513 -12.581 0.924 228 1HH1 ARG 29 HH21 ARG 29 101.723 -10.544 -1.592 229 2HH1 ARG 29 HH22 ARG 29 102.537 -11.832 -2.421 230 1HH2 ARG 29 HH11 ARG 29 101.567 -14.271 -0.156 231 2HH2 ARG 29 HH12 ARG 29 102.451 -13.939 -1.609 232 H ASP 30 HN ASP 30 99.190 -6.727 3.935 233 HA ASP 30 HA ASP 30 97.162 -4.820 4.257 234 1HB ASP 30 2HB ASP 30 100.100 -4.348 3.676 235 2HB ASP 30 3HB ASP 30 98.992 -3.135 4.314 236 H GLY 31 HN GLY 31 96.438 -3.065 2.976 237 1HA GLY 31 2HA GLY 31 96.540 -1.684 0.949 238 2HA GLY 31 3HA GLY 31 97.417 -2.999 0.158 239 H THR 32 HN THR 32 95.421 -4.917 1.452 240 HA THR 32 HA THR 32 93.520 -4.828 -0.786 241 HB THR 32 HB THR 32 93.743 -6.819 1.491 242 HG1 THR 32 HG1 THR 32 95.576 -7.098 0.428 243 1HG2 THR 32 HG23 THR 32 91.866 -6.475 -0.671 244 2HG2 THR 32 HG22 THR 32 92.755 -7.981 -0.886 245 3HG2 THR 32 HG21 THR 32 91.865 -7.687 0.612 246 H PHE 33 HN PHE 33 91.559 -3.834 -0.625 247 HA PHE 33 HA PHE 33 90.269 -3.825 2.057 248 1HB PHE 33 2HB PHE 33 90.068 -1.571 2.184 249 2HB PHE 33 3HB PHE 33 91.483 -1.595 1.139 250 HD1 PHE 33 HD1 PHE 33 91.085 -1.517 -1.422 251 HD2 PHE 33 HD2 PHE 33 88.044 -0.593 1.467 252 HE1 PHE 33 HE1 PHE 33 89.787 -0.285 -3.150 253 HE2 PHE 33 HE2 PHE 33 86.761 0.609 -0.298 254 HZ PHE 33 HZ PHE 33 87.633 0.748 -2.574 255 H LEU 34 HN LEU 34 87.923 -3.202 1.890 256 HA LEU 34 HA LEU 34 86.771 -3.844 -0.771 257 1HB LEU 34 2HB LEU 34 85.314 -5.539 0.104 258 2HB LEU 34 3HB LEU 34 86.948 -5.943 0.609 259 HG LEU 34 HG LEU 34 85.987 -4.281 2.640 260 1HD1 LEU 34 HD12 LEU 34 83.722 -4.722 1.545 261 2HD1 LEU 34 HD11 LEU 34 83.931 -6.413 2.013 262 3HD1 LEU 34 HD13 LEU 34 83.845 -5.156 3.250 263 1HD2 LEU 34 HD22 LEU 34 87.432 -6.387 2.703 264 2HD2 LEU 34 HD21 LEU 34 86.237 -6.252 3.993 265 3HD2 LEU 34 HD23 LEU 34 85.934 -7.312 2.616 266 H VAL 35 HN VAL 35 84.451 -3.248 -0.901 267 HA VAL 35 HA VAL 35 83.856 -0.995 0.962 268 HB VAL 35 HB VAL 35 83.189 -1.463 -1.950 269 1HG1 VAL 35 HG12 VAL 35 81.627 -0.019 0.069 270 2HG1 VAL 35 HG11 VAL 35 82.119 1.004 -1.281 271 3HG1 VAL 35 HG13 VAL 35 81.189 -0.465 -1.581 272 1HG2 VAL 35 HG23 VAL 35 84.592 0.686 -0.348 273 2HG2 VAL 35 HG22 VAL 35 85.287 -0.363 -1.586 274 3HG2 VAL 35 HG21 VAL 35 84.137 0.896 -2.039 275 H ARG 36 HN ARG 36 82.164 -1.246 2.287 276 HA ARG 36 HA ARG 36 79.898 -2.978 1.467 277 1HB ARG 36 2HB ARG 36 79.956 -4.232 3.545 278 2HB ARG 36 3HB ARG 36 81.559 -4.337 2.817 279 1HG ARG 36 2HG ARG 36 82.408 -2.602 4.278 280 2HG ARG 36 3HG ARG 36 80.796 -2.301 4.925 281 1HD ARG 36 2HD ARG 36 80.723 -4.622 5.786 282 2HD ARG 36 3HD ARG 36 82.394 -4.844 5.238 283 HE ARG 36 HE ARG 36 82.606 -2.611 6.785 284 1HH1 ARG 36 HH21 ARG 36 81.121 -5.688 7.183 285 2HH1 ARG 36 HH22 ARG 36 81.373 -5.733 8.895 286 1HH2 ARG 36 HH11 ARG 36 82.964 -2.654 9.007 287 2HH2 ARG 36 HH12 ARG 36 82.450 -4.028 9.931 288 H GLU 37 HN GLU 37 78.293 -2.793 3.655 289 HA GLU 37 HA GLU 37 78.089 0.139 4.010 290 1HB GLU 37 2HB GLU 37 75.732 -0.895 4.947 291 2HB GLU 37 3HB GLU 37 75.980 -0.327 3.292 292 1HG GLU 37 2HG GLU 37 76.364 -2.512 2.484 293 2HG GLU 37 3HG GLU 37 76.657 -3.150 4.101 294 H SER 38 HN SER 38 76.985 0.680 6.187 295 HA SER 38 HA SER 38 78.670 -0.452 8.303 296 1HB SER 38 2HB SER 38 76.306 1.460 8.447 297 2HB SER 38 3HB SER 38 77.379 1.075 9.788 298 HG SER 38 HG SER 38 77.984 2.401 7.357 299 H SER 39 HN SER 39 76.502 -1.748 6.590 300 HA SER 39 HA SER 39 75.597 -3.921 7.179 301 1HB SER 39 2HB SER 39 74.407 -4.243 9.269 302 2HB SER 39 3HB SER 39 75.955 -3.499 9.654 303 HG SER 39 HG SER 39 73.431 -2.213 9.394 304 H LYS 40 HN LYS 40 74.140 -0.749 7.637 305 HA LYS 40 HA LYS 40 71.628 -1.730 6.391 306 1HB LYS 40 2HB LYS 40 71.574 -0.234 8.437 307 2HB LYS 40 3HB LYS 40 72.250 1.050 7.435 308 1HG LYS 40 2HG LYS 40 70.334 0.935 5.925 309 2HG LYS 40 3HG LYS 40 69.673 -0.427 6.827 310 1HD LYS 40 2HD LYS 40 69.503 1.020 8.842 311 2HD LYS 40 3HD LYS 40 70.089 2.385 7.886 312 1HE LYS 40 2HE LYS 40 67.609 0.769 7.217 313 2HE LYS 40 3HE LYS 40 67.587 2.311 8.069 314 1HZ LYS 40 HZ3 LYS 40 69.099 2.297 5.601 315 2HZ LYS 40 HZ2 LYS 40 67.428 2.062 5.415 316 3HZ LYS 40 HZ1 LYS 40 68.009 3.450 6.198 317 H GLN 41 HN GLN 41 71.409 -1.512 4.225 318 HA GLN 41 HA GLN 41 73.349 -0.566 2.470 319 1HB GLN 41 2HB GLN 41 71.375 -1.851 1.729 320 2HB GLN 41 3HB GLN 41 70.343 -0.461 2.060 321 1HG GLN 41 2HG GLN 41 72.691 -0.015 0.279 322 2HG GLN 41 3HG GLN 41 71.332 -0.920 -0.384 323 1HE2 GLN 41 HE22 GLN 41 69.884 2.227 -1.141 324 2HE2 GLN 41 HE21 GLN 41 70.529 0.788 -1.766 325 H GLY 42 HN GLY 42 71.317 1.270 4.510 326 1HA GLY 42 2HA GLY 42 71.146 3.684 3.007 327 2HA GLY 42 3HA GLY 42 71.015 3.572 4.760 328 H CYS 43 HN CYS 43 73.659 2.473 5.208 329 HA CYS 43 HA CYS 43 75.239 4.912 4.523 330 1HB CYS 43 2HB CYS 43 74.798 4.540 6.941 331 2HB CYS 43 3HB CYS 43 75.645 2.996 6.831 332 HG CYS 43 HG CYS 43 77.856 4.190 6.578 333 H TYR 44 HN TYR 44 77.466 4.636 3.939 334 HA TYR 44 HA TYR 44 78.087 1.889 2.976 335 1HB TYR 44 2HB TYR 44 78.978 4.544 1.819 336 2HB TYR 44 3HB TYR 44 79.492 2.967 1.227 337 HD1 TYR 44 HD1 TYR 44 77.134 1.319 1.156 338 HD2 TYR 44 HD2 TYR 44 77.494 5.522 0.333 339 HE1 TYR 44 HE1 TYR 44 75.114 1.212 -0.270 340 HE2 TYR 44 HE2 TYR 44 75.474 5.411 -1.096 341 HH TYR 44 HH TYR 44 73.970 4.072 -2.054 342 H ALA 45 HN ALA 45 80.379 1.244 3.115 343 HA ALA 45 HA ALA 45 82.142 2.953 4.741 344 1HB ALA 45 HB2 ALA 45 80.879 0.418 5.761 345 2HB ALA 45 HB1 ALA 45 82.460 0.933 6.349 346 3HB ALA 45 HB3 ALA 45 81.051 1.970 6.581 347 H CYS 46 HN CYS 46 84.304 2.467 4.322 348 HA CYS 46 HA CYS 46 84.752 0.039 2.642 349 1HB CYS 46 2HB CYS 46 86.709 1.185 1.717 350 2HB CYS 46 3HB CYS 46 85.269 2.178 1.490 351 HG CYS 46 HG CYS 46 87.627 2.822 3.376 352 H SER 47 HN SER 47 85.923 -1.527 3.587 353 HA SER 47 HA SER 47 87.436 -0.827 6.068 354 1HB SER 47 2HB SER 47 85.644 -2.470 6.390 355 2HB SER 47 3HB SER 47 86.326 -3.489 5.120 356 HG SER 47 HG SER 47 87.903 -4.075 6.423 357 H VAL 48 HN VAL 48 89.630 -1.298 6.188 358 HA VAL 48 HA VAL 48 90.798 -2.779 3.876 359 HB VAL 48 HB VAL 48 91.156 -0.357 3.538 360 1HG1 VAL 48 HG13 VAL 48 91.289 -0.177 6.239 361 2HG1 VAL 48 HG12 VAL 48 93.007 -0.150 5.835 362 3HG1 VAL 48 HG11 VAL 48 91.921 1.058 5.150 363 1HG2 VAL 48 HG21 VAL 48 92.914 -2.116 2.944 364 2HG2 VAL 48 HG23 VAL 48 93.495 -0.457 3.094 365 3HG2 VAL 48 HG22 VAL 48 93.766 -1.606 4.404 366 H VAL 49 HN VAL 49 93.022 -3.547 4.342 367 HA VAL 49 HA VAL 49 93.310 -4.276 7.235 368 HB VAL 49 HB VAL 49 94.355 -5.716 4.784 369 1HG1 VAL 49 HG11 VAL 49 94.955 -5.927 7.668 370 2HG1 VAL 49 HG13 VAL 49 94.583 -7.456 6.876 371 3HG1 VAL 49 HG12 VAL 49 95.906 -6.458 6.281 372 1HG2 VAL 49 HG23 VAL 49 91.802 -5.748 5.868 373 2HG2 VAL 49 HG22 VAL 49 92.503 -7.016 4.857 374 3HG2 VAL 49 HG21 VAL 49 92.578 -7.144 6.614 375 H VAL 50 HN VAL 50 95.077 -3.414 8.254 376 HA VAL 50 HA VAL 50 97.531 -2.898 6.729 377 HB VAL 50 HB VAL 50 96.178 -0.931 6.191 378 1HG1 VAL 50 HG12 VAL 50 95.030 -1.247 8.593 379 2HG1 VAL 50 HG11 VAL 50 96.203 0.006 9.007 380 3HG1 VAL 50 HG13 VAL 50 95.013 0.292 7.736 381 1HG2 VAL 50 HG23 VAL 50 98.676 -0.752 6.626 382 2HG2 VAL 50 HG22 VAL 50 97.791 0.755 6.846 383 3HG2 VAL 50 HG21 VAL 50 98.279 -0.186 8.246 384 H ASP 51 HN ASP 51 99.210 -1.860 8.190 385 HA ASP 51 HA ASP 51 100.537 -2.222 10.099 386 1HB ASP 51 2HB ASP 51 99.281 -0.141 10.613 387 2HB ASP 51 3HB ASP 51 98.043 -1.111 11.407 388 H GLY 52 HN GLY 52 98.680 -4.493 9.369 389 1HA GLY 52 2HA GLY 52 98.522 -6.649 10.319 390 2HA GLY 52 3HA GLY 52 99.200 -5.993 11.805 391 H GLU 53 HN GLU 53 96.719 -3.942 11.105 392 HA GLU 53 HA GLU 53 94.801 -5.610 12.675 393 1HB GLU 53 2HB GLU 53 95.662 -3.812 14.060 394 2HB GLU 53 3HB GLU 53 95.288 -2.627 12.812 395 1HG GLU 53 2HG GLU 53 93.558 -2.630 14.563 396 2HG GLU 53 3HG GLU 53 92.898 -3.139 13.008 397 H VAL 54 HN VAL 54 92.670 -5.581 12.075 398 HA VAL 54 HA VAL 54 92.115 -4.714 9.334 399 HB VAL 54 HB VAL 54 90.426 -6.145 11.421 400 1HG1 VAL 54 HG13 VAL 54 89.845 -5.185 8.639 401 2HG1 VAL 54 HG12 VAL 54 89.141 -6.708 9.184 402 3HG1 VAL 54 HG11 VAL 54 88.786 -5.212 10.051 403 1HG2 VAL 54 HG22 VAL 54 92.447 -7.318 10.424 404 2HG2 VAL 54 HG21 VAL 54 90.907 -8.122 10.121 405 3HG2 VAL 54 HG23 VAL 54 91.668 -7.163 8.850 406 H LYS 55 HN LYS 55 91.153 -2.823 8.813 407 HA LYS 55 HA LYS 55 89.986 -1.194 11.031 408 1HB LYS 55 2HB LYS 55 91.382 -0.476 8.464 409 2HB LYS 55 3HB LYS 55 90.353 0.690 9.292 410 1HG LYS 55 2HG LYS 55 92.668 0.951 10.009 411 2HG LYS 55 3HG LYS 55 91.679 0.391 11.354 412 1HD LYS 55 2HD LYS 55 92.576 -1.771 11.274 413 2HD LYS 55 3HD LYS 55 93.122 -1.589 9.606 414 1HE LYS 55 2HE LYS 55 94.656 0.283 10.540 415 2HE LYS 55 3HE LYS 55 94.321 -0.408 12.119 416 1HZ LYS 55 HZ1 LYS 55 94.956 -2.570 10.666 417 2HZ LYS 55 HZ3 LYS 55 95.963 -1.399 9.967 418 3HZ LYS 55 HZ2 LYS 55 96.049 -1.705 11.637 419 H HIS 56 HN HIS 56 88.110 0.128 10.523 420 HA HIS 56 HA HIS 56 86.534 -0.866 8.196 421 1HB HIS 56 2HB HIS 56 85.506 -0.406 11.011 422 2HB HIS 56 3HB HIS 56 84.493 -0.766 9.609 423 HD1 HIS 56 HD1 HIS 56 86.040 -2.943 8.222 424 HD2 HIS 56 HD2 HIS 56 85.609 -2.812 12.364 425 HE1 HIS 56 HE1 HIS 56 86.415 -5.305 9.055 426 H CYS 57 HN CYS 57 87.487 1.209 7.340 427 HA CYS 57 HA CYS 57 86.741 3.737 8.462 428 1HB CYS 57 2HB CYS 57 88.546 3.434 6.780 429 2HB CYS 57 3HB CYS 57 87.327 3.064 5.566 430 HG CYS 57 HG CYS 57 86.598 5.480 5.513 431 H VAL 58 HN VAL 58 84.929 4.942 8.247 432 HA VAL 58 HA VAL 58 82.597 3.597 7.018 433 HB VAL 58 HB VAL 58 82.542 4.439 9.380 434 1HG1 VAL 58 HG11 VAL 58 83.862 6.510 8.961 435 2HG1 VAL 58 HG13 VAL 58 82.524 7.147 8.006 436 3HG1 VAL 58 HG12 VAL 58 82.315 6.858 9.733 437 1HG2 VAL 58 HG23 VAL 58 80.635 4.922 7.218 438 2HG2 VAL 58 HG22 VAL 58 80.342 4.303 8.844 439 3HG2 VAL 58 HG21 VAL 58 80.404 6.042 8.560 440 H ILE 59 HN ILE 59 81.406 4.431 5.383 441 HA ILE 59 HA ILE 59 82.342 6.980 4.151 442 HB ILE 59 HB ILE 59 81.155 4.527 2.824 443 1HG1 ILE 59 HG12 ILE 59 83.541 4.368 3.712 444 2HG1 ILE 59 HG11 ILE 59 83.354 4.076 1.985 445 1HG2 ILE 59 HG22 ILE 59 82.003 7.223 1.785 446 2HG2 ILE 59 HG21 ILE 59 81.989 5.808 0.737 447 3HG2 ILE 59 HG23 ILE 59 80.496 6.356 1.497 448 1HD1 ILE 59 HD11 ILE 59 83.740 6.901 2.484 449 2HD1 ILE 59 HD13 ILE 59 85.042 5.964 3.216 450 3HD1 ILE 59 HD12 ILE 59 84.700 5.806 1.493 451 H ASN 60 HN ASN 60 80.684 8.448 3.471 452 HA ASN 60 HA ASN 60 77.945 7.690 4.411 453 1HB ASN 60 2HB ASN 60 79.250 10.415 4.215 454 2HB ASN 60 3HB ASN 60 77.543 10.164 4.580 455 1HD2 ASN 60 HD22 ASN 60 78.558 8.324 7.683 456 2HD2 ASN 60 HD21 ASN 60 77.749 7.873 6.261 457 H LYS 61 HN LYS 61 76.135 8.629 3.110 458 HA LYS 61 HA LYS 61 76.973 8.954 0.259 459 1HB LYS 61 2HB LYS 61 75.092 7.664 -0.422 460 2HB LYS 61 3HB LYS 61 75.803 6.783 0.932 461 1HG LYS 61 2HG LYS 61 74.172 7.827 2.474 462 2HG LYS 61 3HG LYS 61 73.431 8.662 1.109 463 1HD LYS 61 2HD LYS 61 72.945 6.471 0.045 464 2HD LYS 61 3HD LYS 61 73.625 5.654 1.451 465 1HE LYS 61 2HE LYS 61 71.926 6.660 2.902 466 2HE LYS 61 3HE LYS 61 71.273 7.569 1.536 467 1HZ LYS 61 HZ3 LYS 61 71.493 4.659 1.268 468 2HZ LYS 61 HZ2 LYS 61 70.264 5.267 2.272 469 3HZ LYS 61 HZ1 LYS 61 70.332 5.722 0.636 470 H THR 62 HN THR 62 76.227 10.936 2.506 471 HA THR 62 HA THR 62 73.814 12.150 1.280 472 HB THR 62 HB THR 62 75.386 12.895 3.768 473 HG1 THR 62 HG1 THR 62 74.138 11.505 4.694 474 1HG2 THR 62 HG22 THR 62 73.130 14.169 2.309 475 2HG2 THR 62 HG21 THR 62 73.013 14.118 4.067 476 3HG2 THR 62 HG23 THR 62 74.389 14.904 3.297 477 H ALA 63 HN ALA 63 73.897 14.414 0.559 478 HA ALA 63 HA ALA 63 75.944 15.093 -1.182 479 1HB ALA 63 HB3 ALA 63 73.692 16.309 -0.663 480 2HB ALA 63 HB2 ALA 63 74.648 17.246 0.481 481 3HB ALA 63 HB1 ALA 63 75.054 17.271 -1.234 482 H THR 64 HN THR 64 75.719 16.200 2.230 483 HA THR 64 HA THR 64 78.539 17.090 2.099 484 HB THR 64 HB THR 64 76.574 17.140 4.419 485 HG1 THR 64 HG1 THR 64 77.081 18.790 2.259 486 1HG2 THR 64 HG22 THR 64 79.411 17.976 4.067 487 2HG2 THR 64 HG21 THR 64 78.362 19.087 4.947 488 3HG2 THR 64 HG23 THR 64 78.571 17.432 5.520 489 H GLY 65 HN GLY 65 76.982 14.223 2.501 490 1HA GLY 65 2HA GLY 65 78.513 13.146 4.743 491 2HA GLY 65 3HA GLY 65 77.472 12.227 3.658 492 H TYR 66 HN TYR 66 78.365 11.224 1.876 493 HA TYR 66 HA TYR 66 80.091 10.120 0.739 494 1HB TYR 66 2HB TYR 66 81.056 12.988 0.723 495 2HB TYR 66 3HB TYR 66 81.817 11.696 -0.202 496 HD1 TYR 66 HD1 TYR 66 79.913 10.127 -1.432 497 HD2 TYR 66 HD2 TYR 66 79.584 14.310 -0.503 498 HE1 TYR 66 HE1 TYR 66 78.206 10.389 -3.213 499 HE2 TYR 66 HE2 TYR 66 77.882 14.571 -2.286 500 HH TYR 66 HH TYR 66 76.167 12.940 -3.434 501 H GLY 67 HN GLY 67 82.714 10.067 0.716 502 1HA GLY 67 2HA GLY 67 83.459 9.166 3.337 503 2HA GLY 67 3HA GLY 67 84.563 9.357 1.979 504 H PHE 68 HN PHE 68 84.140 12.157 1.534 505 HA PHE 68 HA PHE 68 85.057 13.329 4.116 506 1HB PHE 68 2HB PHE 68 86.366 13.563 1.398 507 2HB PHE 68 3HB PHE 68 86.659 14.736 2.676 508 HD1 PHE 68 HD1 PHE 68 86.986 13.447 5.106 509 HD2 PHE 68 HD2 PHE 68 87.996 11.912 1.221 510 HE1 PHE 68 HE1 PHE 68 88.615 11.897 6.144 511 HE2 PHE 68 HE2 PHE 68 89.630 10.365 2.265 512 HZ PHE 68 HZ PHE 68 89.938 10.355 4.723 513 H ALA 69 HN ALA 69 84.210 14.291 0.762 514 HA ALA 69 HA ALA 69 82.658 15.887 0.017 515 1HB ALA 69 HB3 ALA 69 81.601 14.833 2.437 516 2HB ALA 69 HB2 ALA 69 81.347 16.578 2.471 517 3HB ALA 69 HB1 ALA 69 80.722 15.622 1.128 518 H GLU 70 HN GLU 70 85.302 16.654 1.169 519 HA GLU 70 HA GLU 70 84.984 19.092 2.681 520 1HB GLU 70 2HB GLU 70 87.257 17.994 1.005 521 2HB GLU 70 3HB GLU 70 87.382 19.509 1.895 522 1HG GLU 70 2HG GLU 70 86.681 16.836 3.133 523 2HG GLU 70 3HG GLU 70 88.276 17.588 3.194 524 HA PRO 71 HA PRO 71 83.742 22.229 -0.161 525 1HB PRO 71 2HB PRO 71 86.427 23.463 0.324 526 2HB PRO 71 3HB PRO 71 84.822 24.213 0.369 527 1HG PRO 71 2HG PRO 71 86.128 23.560 2.604 528 2HG PRO 71 3HG PRO 71 84.366 23.439 2.475 529 1HD PRO 71 2HD PRO 71 86.378 21.275 2.604 530 2HD PRO 71 3HD PRO 71 84.645 21.228 2.993 531 H TYR 72 HN TYR 72 86.803 20.624 -0.593 532 HA TYR 72 HA TYR 72 87.430 21.711 -3.184 533 1HB TYR 72 2HB TYR 72 88.211 19.083 -1.885 534 2HB TYR 72 3HB TYR 72 88.907 19.699 -3.385 535 HD1 TYR 72 HD2 TYR 72 90.231 21.817 -3.380 536 HD2 TYR 72 HD1 TYR 72 88.836 20.001 0.255 537 HE1 TYR 72 HE2 TYR 72 91.829 23.197 -2.077 538 HE2 TYR 72 HE1 TYR 72 90.435 21.380 1.558 539 HH TYR 72 HH TYR 72 91.791 23.221 1.450 540 H ASN 73 HN ASN 73 84.901 19.764 -2.165 541 HA ASN 73 HA ASN 73 83.273 18.577 -3.352 542 1HB ASN 73 2HB ASN 73 83.382 20.546 -4.876 543 2HB ASN 73 3HB ASN 73 84.652 19.743 -5.798 544 1HD2 ASN 73 HD22 ASN 73 82.230 18.122 -7.759 545 2HD2 ASN 73 HD21 ASN 73 83.712 18.951 -7.689 546 H LEU 74 HN LEU 74 83.101 16.463 -4.120 547 HA LEU 74 HA LEU 74 85.567 14.939 -4.210 548 1HB LEU 74 2HB LEU 74 82.684 14.166 -4.743 549 2HB LEU 74 3HB LEU 74 84.024 13.015 -4.686 550 HG LEU 74 HG LEU 74 83.310 14.895 -2.421 551 1HD1 LEU 74 HD11 LEU 74 81.823 12.738 -3.260 552 2HD1 LEU 74 HD13 LEU 74 82.896 12.006 -2.063 553 3HD1 LEU 74 HD12 LEU 74 81.857 13.364 -1.610 554 1HD2 LEU 74 HD22 LEU 74 85.395 12.796 -2.893 555 2HD2 LEU 74 HD21 LEU 74 85.516 14.312 -2.004 556 3HD2 LEU 74 HD23 LEU 74 84.713 12.923 -1.273 557 H TYR 75 HN TYR 75 83.610 13.538 -6.515 558 HA TYR 75 HA TYR 75 84.720 15.077 -8.779 559 1HB TYR 75 2HB TYR 75 85.528 12.262 -8.092 560 2HB TYR 75 3HB TYR 75 85.609 12.855 -9.754 561 HD1 TYR 75 HD2 TYR 75 86.789 13.481 -6.272 562 HD2 TYR 75 HD1 TYR 75 87.319 14.368 -10.442 563 HE1 TYR 75 HE2 TYR 75 88.897 14.676 -5.753 564 HE2 TYR 75 HE1 TYR 75 89.427 15.565 -9.919 565 HH TYR 75 HH TYR 75 90.486 16.034 -6.565 566 H SER 76 HN SER 76 84.230 13.244 -10.814 567 HA SER 76 HA SER 76 81.402 13.548 -11.158 568 1HB SER 76 2HB SER 76 83.086 13.465 -13.014 569 2HB SER 76 3HB SER 76 83.244 11.736 -12.730 570 HG SER 76 HG SER 76 81.003 13.211 -13.613 571 H SER 77 HN SER 77 83.362 10.642 -10.352 572 HA SER 77 HA SER 77 80.777 9.376 -9.579 573 1HB SER 77 2HB SER 77 81.453 8.574 -11.838 574 2HB SER 77 3HB SER 77 82.955 7.968 -11.145 575 HG SER 77 HG SER 77 81.506 6.293 -11.126 576 H LEU 78 HN LEU 78 80.990 7.602 -8.073 577 HA LEU 78 HA LEU 78 82.780 8.110 -5.924 578 1HB LEU 78 2HB LEU 78 81.173 5.629 -6.625 579 2HB LEU 78 3HB LEU 78 82.008 5.858 -5.089 580 HG LEU 78 HG LEU 78 79.916 7.768 -6.178 581 1HD1 LEU 78 HD13 LEU 78 79.020 5.480 -5.625 582 2HD1 LEU 78 HD12 LEU 78 79.620 5.702 -3.981 583 3HD1 LEU 78 HD11 LEU 78 78.364 6.763 -4.609 584 1HD2 LEU 78 HD22 LEU 78 81.792 7.813 -3.944 585 2HD2 LEU 78 HD21 LEU 78 80.765 9.109 -4.565 586 3HD2 LEU 78 HD23 LEU 78 80.122 7.958 -3.391 587 H LYS 79 HN LYS 79 83.103 6.105 -8.805 588 HA LYS 79 HA LYS 79 85.199 4.385 -8.010 589 1HB LYS 79 2HB LYS 79 84.696 5.787 -10.651 590 2HB LYS 79 3HB LYS 79 85.951 4.567 -10.434 591 1HG LYS 79 2HG LYS 79 84.320 2.888 -9.839 592 2HG LYS 79 3HG LYS 79 83.029 4.091 -9.793 593 1HD LYS 79 2HD LYS 79 83.259 4.497 -12.186 594 2HD LYS 79 3HD LYS 79 84.635 3.397 -12.266 595 1HE LYS 79 2HE LYS 79 83.239 1.506 -11.692 596 2HE LYS 79 3HE LYS 79 81.863 2.561 -11.372 597 1HZ LYS 79 HZ1 LYS 79 82.684 3.212 -13.905 598 2HZ LYS 79 HZ3 LYS 79 82.798 1.519 -13.853 599 3HZ LYS 79 HZ2 LYS 79 81.322 2.281 -13.493 600 H GLU 80 HN GLU 80 85.297 7.763 -9.106 601 HA GLU 80 HA GLU 80 88.149 8.019 -8.974 602 1HB GLU 80 2HB GLU 80 86.640 9.641 -10.129 603 2HB GLU 80 3HB GLU 80 86.056 10.180 -8.555 604 1HG GLU 80 2HG GLU 80 89.012 10.129 -9.086 605 2HG GLU 80 3HG GLU 80 88.045 11.459 -9.725 606 H LEU 81 HN LEU 81 85.550 8.391 -6.588 607 HA LEU 81 HA LEU 81 87.107 9.497 -4.469 608 1HB LEU 81 2HB LEU 81 84.655 9.317 -4.363 609 2HB LEU 81 3HB LEU 81 84.773 7.561 -4.316 610 HG LEU 81 HG LEU 81 86.254 9.222 -2.296 611 1HD1 LEU 81 HD12 LEU 81 83.903 10.006 -2.280 612 2HD1 LEU 81 HD11 LEU 81 83.364 8.342 -2.058 613 3HD1 LEU 81 HD13 LEU 81 84.318 9.135 -0.805 614 1HD2 LEU 81 HD22 LEU 81 85.503 6.388 -2.697 615 2HD2 LEU 81 HD21 LEU 81 86.863 7.078 -1.820 616 3HD2 LEU 81 HD23 LEU 81 85.281 6.981 -1.052 617 H VAL 82 HN VAL 82 86.439 6.080 -5.293 618 HA VAL 82 HA VAL 82 88.018 4.952 -3.203 619 HB VAL 82 HB VAL 82 87.467 3.868 -5.981 620 1HG1 VAL 82 HG12 VAL 82 88.451 2.576 -3.431 621 2HG1 VAL 82 HG11 VAL 82 87.926 1.680 -4.857 622 3HG1 VAL 82 HG13 VAL 82 89.341 2.729 -4.946 623 1HG2 VAL 82 HG23 VAL 82 86.048 3.540 -3.319 624 2HG2 VAL 82 HG22 VAL 82 85.387 4.271 -4.786 625 3HG2 VAL 82 HG21 VAL 82 85.724 2.541 -4.737 626 H LEU 83 HN LEU 83 88.826 6.048 -6.492 627 HA LEU 83 HA LEU 83 91.540 5.128 -6.504 628 1HB LEU 83 2HB LEU 83 90.194 7.417 -7.963 629 2HB LEU 83 3HB LEU 83 91.861 6.920 -8.260 630 HG LEU 83 HG LEU 83 89.445 5.107 -8.505 631 1HD1 LEU 83 HD11 LEU 83 90.091 7.098 -10.227 632 2HD1 LEU 83 HD13 LEU 83 91.133 5.815 -10.843 633 3HD1 LEU 83 HD12 LEU 83 89.389 5.566 -10.749 634 1HD2 LEU 83 HD22 LEU 83 92.396 4.737 -8.623 635 2HD2 LEU 83 HD21 LEU 83 91.141 3.599 -8.141 636 3HD2 LEU 83 HD23 LEU 83 91.450 3.896 -9.850 637 H HIS 84 HN HIS 84 90.046 8.103 -5.270 638 HA HIS 84 HA HIS 84 92.406 9.611 -4.878 639 1HB HIS 84 2HB HIS 84 89.674 9.648 -3.812 640 2HB HIS 84 3HB HIS 84 90.874 10.236 -2.659 641 HD1 HIS 84 HD1 HIS 84 91.498 10.644 -6.311 642 HD2 HIS 84 HD2 HIS 84 90.113 12.968 -3.141 643 HE1 HIS 84 HE1 HIS 84 91.481 13.036 -7.135 644 H TYR 85 HN TYR 85 90.868 7.286 -2.618 645 HA TYR 85 HA TYR 85 92.867 7.565 -0.592 646 1HB TYR 85 2HB TYR 85 91.042 5.263 -1.300 647 2HB TYR 85 3HB TYR 85 92.122 5.243 0.095 648 HD1 TYR 85 HD2 TYR 85 89.260 7.023 -1.467 649 HD2 TYR 85 HD1 TYR 85 91.645 6.496 2.065 650 HE1 TYR 85 HE2 TYR 85 87.622 8.351 -0.163 651 HE2 TYR 85 HE1 TYR 85 90.009 7.827 3.371 652 HH TYR 85 HH TYR 85 87.046 8.355 2.603 653 H GLN 86 HN GLN 86 92.769 5.733 -3.568 654 HA GLN 86 HA GLN 86 94.919 3.942 -3.047 655 1HB GLN 86 2HB GLN 86 93.461 3.696 -4.998 656 2HB GLN 86 3HB GLN 86 94.047 5.219 -5.656 657 1HG GLN 86 2HG GLN 86 96.321 4.312 -5.780 658 2HG GLN 86 3HG GLN 86 95.748 2.786 -5.113 659 1HE2 GLN 86 HE22 GLN 86 94.337 1.666 -8.172 660 2HE2 GLN 86 HE21 GLN 86 94.507 1.364 -6.511 661 H HIS 87 HN HIS 87 94.863 7.321 -4.092 662 HA HIS 87 HA HIS 87 97.817 7.309 -4.334 663 1HB HIS 87 2HB HIS 87 95.787 9.484 -4.911 664 2HB HIS 87 3HB HIS 87 97.519 9.597 -5.227 665 HD1 HIS 87 HD1 HIS 87 94.431 7.726 -6.344 666 HD2 HIS 87 HD2 HIS 87 98.394 8.244 -7.529 667 HE1 HIS 87 HE1 HIS 87 94.636 6.671 -8.637 668 H THR 88 HN THR 88 95.464 7.993 -1.958 669 HA THR 88 HA THR 88 97.420 9.773 -0.559 670 HB THR 88 HB THR 88 94.426 9.557 -0.140 671 HG1 THR 88 HG1 THR 88 96.110 11.185 -1.646 672 1HG2 THR 88 HG21 THR 88 96.519 11.404 1.045 673 2HG2 THR 88 HG23 THR 88 94.778 11.563 1.276 674 3HG2 THR 88 HG22 THR 88 95.626 10.154 1.913 675 H SER 89 HN SER 89 98.321 9.038 1.258 676 HA SER 89 HA SER 89 97.732 6.360 2.232 677 1HB SER 89 2HB SER 89 100.019 7.270 2.230 678 2HB SER 89 3HB SER 89 99.518 8.538 3.346 679 HG SER 89 HG SER 89 100.511 6.458 4.176 680 H LEU 90 HN LEU 90 96.224 5.875 3.733 681 HA LEU 90 HA LEU 90 94.621 7.894 5.000 682 1HB LEU 90 2HB LEU 90 94.898 4.922 5.470 683 2HB LEU 90 3HB LEU 90 93.722 5.929 6.327 684 HG LEU 90 HG LEU 90 93.209 6.715 3.805 685 1HD1 LEU 90 HD13 LEU 90 94.257 3.884 3.637 686 2HD1 LEU 90 HD12 LEU 90 93.228 4.617 2.404 687 3HD1 LEU 90 HD11 LEU 90 94.825 5.291 2.735 688 1HD2 LEU 90 HD22 LEU 90 92.156 4.189 5.116 689 2HD2 LEU 90 HD21 LEU 90 91.558 5.824 5.400 690 3HD2 LEU 90 HD23 LEU 90 91.354 5.075 3.816 691 H VAL 91 HN VAL 91 97.476 6.117 6.101 692 HA VAL 91 HA VAL 91 98.210 5.962 8.464 693 HB VAL 91 HB VAL 91 99.779 7.222 7.069 694 1HG1 VAL 91 HG13 VAL 91 97.797 9.009 6.623 695 2HG1 VAL 91 HG12 VAL 91 98.725 9.875 7.852 696 3HG1 VAL 91 HG11 VAL 91 99.505 9.363 6.357 697 1HG2 VAL 91 HG21 VAL 91 100.039 7.099 9.581 698 2HG2 VAL 91 HG23 VAL 91 100.874 8.455 8.824 699 3HG2 VAL 91 HG22 VAL 91 99.348 8.720 9.660 700 H GLN 92 HN GLN 92 97.191 9.379 8.183 701 HA GLN 92 HA GLN 92 95.848 10.693 9.566 702 1HB GLN 92 2HB GLN 92 94.149 9.000 8.913 703 2HB GLN 92 3HB GLN 92 94.608 8.024 10.310 704 1HG GLN 92 2HG GLN 92 93.685 9.506 11.831 705 2HG GLN 92 3HG GLN 92 93.876 10.892 10.756 706 1HE2 GLN 92 HE22 GLN 92 90.398 10.569 10.160 707 2HE2 GLN 92 HE21 GLN 92 91.619 11.502 10.883 708 H HIS 93 HN HIS 93 94.945 10.620 12.058 709 HA HIS 93 HA HIS 93 97.257 10.817 13.686 710 1HB HIS 93 2HB HIS 93 94.323 10.537 14.401 711 2HB HIS 93 3HB HIS 93 95.581 10.819 15.610 712 HD1 HIS 93 HD1 HIS 93 96.798 13.110 15.572 713 HD2 HIS 93 HD2 HIS 93 93.814 12.766 12.680 714 HE1 HIS 93 HE1 HIS 93 96.458 15.430 14.615 715 H ASN 94 HN ASN 94 95.034 8.105 13.167 716 HA ASN 94 HA ASN 94 95.823 6.396 15.254 717 1HB ASN 94 2HB ASN 94 95.204 5.726 12.352 718 2HB ASN 94 3HB ASN 94 95.376 4.515 13.624 719 1HD2 ASN 94 HD22 ASN 94 92.420 6.054 15.360 720 2HD2 ASN 94 HD21 ASN 94 94.058 5.857 15.762 721 H ASP 95 HN ASP 95 97.572 7.484 12.460 722 HA ASP 95 HA ASP 95 99.786 7.186 11.787 723 1HB ASP 95 2HB ASP 95 100.028 6.260 14.664 724 2HB ASP 95 3HB ASP 95 101.401 6.492 13.582 725 H SER 96 HN SER 96 97.692 4.831 11.955 726 HA SER 96 HA SER 96 99.724 2.817 11.177 727 1HB SER 96 2HB SER 96 98.284 1.018 12.187 728 2HB SER 96 3HB SER 96 98.973 2.118 13.385 729 HG SER 96 HG SER 96 96.340 1.931 12.398 730 H LEU 97 HN LEU 97 97.495 4.702 10.026 731 HA LEU 97 HA LEU 97 96.145 2.667 8.331 732 1HB LEU 97 2HB LEU 97 95.748 5.679 8.466 733 2HB LEU 97 3HB LEU 97 94.757 4.537 7.568 734 HG LEU 97 HG LEU 97 95.141 4.473 10.563 735 1HD1 LEU 97 HD12 LEU 97 93.687 6.353 9.256 736 2HD1 LEU 97 HD11 LEU 97 92.493 5.061 9.358 737 3HD1 LEU 97 HD13 LEU 97 93.229 5.698 10.826 738 1HD2 LEU 97 HD22 LEU 97 93.987 2.655 8.583 739 2HD2 LEU 97 HD21 LEU 97 94.402 2.371 10.273 740 3HD2 LEU 97 HD23 LEU 97 92.848 3.086 9.856 741 H ASN 98 HN ASN 98 98.929 3.069 8.260 742 HA ASN 98 HA ASN 98 99.668 4.810 6.065 743 1HB ASN 98 2HB ASN 98 101.079 2.567 7.536 744 2HB ASN 98 3HB ASN 98 101.845 3.498 6.249 745 1HD2 ASN 98 HD22 ASN 98 102.630 5.098 9.557 746 2HD2 ASN 98 HD21 ASN 98 102.883 3.551 8.904 747 H VAL 99 HN VAL 99 97.852 3.823 4.740 748 HA VAL 99 HA VAL 99 99.003 1.893 2.863 749 HB VAL 99 HB VAL 99 97.999 0.450 4.621 750 1HG1 VAL 99 HG13 VAL 99 95.918 2.445 4.429 751 2HG1 VAL 99 HG12 VAL 99 95.239 0.854 4.099 752 3HG1 VAL 99 HG11 VAL 99 96.090 1.152 5.609 753 1HG2 VAL 99 HG21 VAL 99 97.815 0.151 1.955 754 2HG2 VAL 99 HG23 VAL 99 97.116 -1.013 3.079 755 3HG2 VAL 99 HG22 VAL 99 96.097 0.219 2.339 756 H THR 100 HN THR 100 97.637 1.728 0.929 757 HA THR 100 HA THR 100 95.662 3.973 0.743 758 HB THR 100 HB THR 100 96.383 4.381 -1.518 759 HG1 THR 100 HG1 THR 100 96.781 2.177 -2.035 760 1HG2 THR 100 HG22 THR 100 97.971 4.829 0.670 761 2HG2 THR 100 HG21 THR 100 99.084 4.022 -0.434 762 3HG2 THR 100 HG23 THR 100 98.260 5.498 -0.938 763 H LEU 101 HN LEU 101 93.776 3.487 -0.549 764 HA LEU 101 HA LEU 101 93.093 0.651 -0.571 765 1HB LEU 101 2HB LEU 101 91.640 3.001 -1.839 766 2HB LEU 101 3HB LEU 101 90.962 1.403 -1.543 767 HG LEU 101 HG LEU 101 92.057 3.166 0.664 768 1HD1 LEU 101 HD13 LEU 101 89.713 3.583 -0.851 769 2HD1 LEU 101 HD12 LEU 101 89.177 2.837 0.655 770 3HD1 LEU 101 HD11 LEU 101 90.123 4.325 0.698 771 1HD2 LEU 101 HD23 LEU 101 91.339 0.461 0.576 772 2HD2 LEU 101 HD22 LEU 101 91.612 1.425 2.015 773 3HD2 LEU 101 HD21 LEU 101 89.985 1.262 1.357 774 H ALA 102 HN ALA 102 95.134 0.260 -1.950 775 HA ALA 102 HA ALA 102 94.720 0.900 -4.811 776 1HB ALA 102 HB2 ALA 102 96.993 0.763 -3.175 777 2HB ALA 102 HB1 ALA 102 97.124 -0.616 -4.264 778 3HB ALA 102 HB3 ALA 102 96.959 1.011 -4.915 779 H TYR 103 HN TYR 103 94.578 -1.929 -2.690 780 HA TYR 103 HA TYR 103 94.360 -3.580 -5.163 781 1HB TYR 103 2HB TYR 103 96.197 -4.229 -3.659 782 2HB TYR 103 3HB TYR 103 95.036 -4.464 -2.355 783 HD1 TYR 103 HD2 TYR 103 96.082 -5.707 -5.707 784 HD2 TYR 103 HD1 TYR 103 93.683 -6.424 -2.219 785 HE1 TYR 103 HE2 TYR 103 95.642 -8.026 -6.482 786 HE2 TYR 103 HE1 TYR 103 93.244 -8.732 -2.989 787 HH TYR 103 HH TYR 103 94.230 -10.403 -4.448 788 HA PRO 104 HA PRO 104 90.039 -4.103 -4.024 789 1HB PRO 104 2HB PRO 104 89.408 -5.850 -6.001 790 2HB PRO 104 3HB PRO 104 89.677 -4.121 -6.308 791 1HG PRO 104 2HG PRO 104 91.492 -6.441 -6.749 792 2HG PRO 104 3HG PRO 104 91.210 -5.019 -7.766 793 1HD PRO 104 2HD PRO 104 93.377 -5.280 -6.111 794 2HD PRO 104 3HD PRO 104 92.686 -3.713 -6.581 795 H VAL 105 HN VAL 105 88.782 -5.713 -2.950 796 HA VAL 105 HA VAL 105 90.268 -7.978 -1.855 797 HB VAL 105 HB VAL 105 88.601 -6.716 -0.522 798 1HG1 VAL 105 HG13 VAL 105 86.965 -7.333 -2.840 799 2HG1 VAL 105 HG12 VAL 105 86.197 -7.931 -1.369 800 3HG1 VAL 105 HG11 VAL 105 86.625 -6.227 -1.511 801 1HG2 VAL 105 HG23 VAL 105 89.078 -9.466 -0.634 802 2HG2 VAL 105 HG22 VAL 105 88.332 -8.601 0.708 803 3HG2 VAL 105 HG21 VAL 105 87.322 -9.345 -0.532 804 H TYR 106 HN TYR 106 88.228 -7.459 -4.585 805 HA TYR 106 HA TYR 106 88.174 -10.404 -5.031 806 1HB TYR 106 2HB TYR 106 85.888 -8.467 -5.274 807 2HB TYR 106 3HB TYR 106 85.931 -9.928 -6.262 808 HD1 TYR 106 HD1 TYR 106 86.475 -12.150 -4.998 809 HD2 TYR 106 HD2 TYR 106 85.010 -8.585 -3.105 810 HE1 TYR 106 HE1 TYR 106 85.719 -13.492 -3.063 811 HE2 TYR 106 HE2 TYR 106 84.255 -9.933 -1.162 812 HH TYR 106 HH TYR 106 85.283 -13.109 -0.648 813 H ALA 107 HN ALA 107 90.209 -9.152 -6.152 814 HA ALA 107 HA ALA 107 89.692 -7.864 -8.656 815 1HB ALA 107 HB2 ALA 107 91.963 -8.520 -7.145 816 2HB ALA 107 HB1 ALA 107 92.155 -9.420 -8.649 817 3HB ALA 107 HB3 ALA 107 91.946 -7.668 -8.694 818 H GLN 108 HN GLN 108 89.196 -8.712 -10.634 819 HA GLN 108 HA GLN 108 88.421 -11.476 -10.857 820 1HB GLN 108 2HB GLN 108 87.413 -9.676 -12.229 821 2HB GLN 108 3HB GLN 108 88.956 -9.454 -13.050 822 1HG GLN 108 2HG GLN 108 88.872 -11.808 -13.823 823 2HG GLN 108 3HG GLN 108 87.304 -11.998 -13.032 824 1HE2 GLN 108 HE22 GLN 108 87.477 -9.517 -16.325 825 2HE2 GLN 108 HE21 GLN 108 88.847 -9.656 -15.332 826 H GLN 109 HN GLN 109 91.257 -9.637 -12.015 827 HA GLN 109 HA GLN 109 93.310 -10.395 -12.878 828 1HB GLN 109 2HB GLN 109 93.267 -11.308 -10.484 829 2HB GLN 109 3HB GLN 109 92.800 -12.853 -11.194 830 1HG GLN 109 2HG GLN 109 94.843 -12.902 -12.533 831 2HG GLN 109 3HG GLN 109 95.296 -11.301 -11.949 832 1HE2 GLN 109 HE22 GLN 109 95.156 -13.863 -8.795 833 2HE2 GLN 109 HE21 GLN 109 93.759 -13.483 -9.681 834 H ARG 110 HN ARG 110 91.540 -10.763 -14.805 835 HA ARG 110 HA ARG 110 90.913 -13.433 -15.588 836 1HB ARG 110 2HB ARG 110 90.459 -12.507 -17.776 837 2HB ARG 110 3HB ARG 110 89.930 -11.333 -16.569 838 1HG ARG 110 2HG ARG 110 92.078 -10.129 -16.813 839 2HG ARG 110 3HG ARG 110 92.571 -11.278 -18.052 840 1HD ARG 110 2HD ARG 110 90.044 -10.440 -18.883 841 2HD ARG 110 3HD ARG 110 90.805 -8.965 -18.279 842 HE ARG 110 HE ARG 110 91.361 -10.018 -20.780 843 1HH1 ARG 110 HH21 ARG 110 93.148 -9.475 -17.877 844 2HH1 ARG 110 HH22 ARG 110 94.672 -9.347 -18.686 845 1HH2 ARG 110 HH11 ARG 110 93.331 -9.847 -21.845 846 2HH2 ARG 110 HH12 ARG 110 94.779 -9.572 -20.934 847 H ARG 111 HN ARG 111 93.805 -11.469 -16.050 848 HA ARG 111 HA ARG 111 95.280 -13.896 -16.791 849 1HB ARG 111 2HB ARG 111 95.073 -11.521 -18.672 850 2HB ARG 111 3HB ARG 111 96.267 -12.810 -18.828 851 1HG ARG 111 2HG ARG 111 94.379 -14.468 -18.922 852 2HG ARG 111 3HG ARG 111 93.252 -13.113 -18.971 853 1HD ARG 111 2HD ARG 111 95.115 -12.476 -20.932 854 2HD ARG 111 3HD ARG 111 94.925 -14.220 -21.103 855 HE ARG 111 HE ARG 111 93.104 -12.397 -22.143 856 1HH1 ARG 111 HH21 ARG 111 93.004 -14.857 -19.725 857 2HH1 ARG 111 HH22 ARG 111 91.309 -15.160 -19.923 858 1HH2 ARG 111 HH11 ARG 111 90.894 -12.806 -22.422 859 2HH2 ARG 111 HH12 ARG 111 90.127 -14.022 -21.460 No H/Q in entry = 859 Start of MODEL 4 1 1H GLU 1 HT1 GLU 1 94.001 -5.390 -17.278 2 2H GLU 1 HT3 GLU 1 95.055 -6.301 -18.247 3 3H GLU 1 HT2 GLU 1 95.499 -5.893 -16.661 4 HA GLU 1 HA GLU 1 96.625 -4.230 -17.609 5 1HB GLU 1 2HB GLU 1 96.195 -3.463 -19.900 6 2HB GLU 1 3HB GLU 1 96.230 -5.226 -19.859 7 1HG GLU 1 2HG GLU 1 93.721 -5.196 -19.636 8 2HG GLU 1 3HG GLU 1 93.774 -3.455 -19.915 9 H ASP 2 HN ASP 2 93.087 -4.092 -17.842 10 HA ASP 2 HA ASP 2 92.952 -1.204 -17.596 11 1HB ASP 2 2HB ASP 2 90.551 -1.557 -17.237 12 2HB ASP 2 3HB ASP 2 91.113 -2.539 -18.592 13 H LEU 3 HN LEU 3 91.561 -0.326 -15.632 14 HA LEU 3 HA LEU 3 93.024 -1.155 -13.204 15 1HB LEU 3 2HB LEU 3 91.189 1.194 -13.754 16 2HB LEU 3 3HB LEU 3 92.010 0.910 -12.219 17 HG LEU 3 HG LEU 3 93.414 1.220 -14.888 18 1HD1 LEU 3 HD11 LEU 3 92.397 3.174 -12.985 19 2HD1 LEU 3 HD13 LEU 3 94.149 3.292 -13.151 20 3HD1 LEU 3 HD12 LEU 3 93.118 3.436 -14.572 21 1HD2 LEU 3 HD22 LEU 3 94.262 0.623 -12.081 22 2HD2 LEU 3 HD21 LEU 3 94.901 -0.002 -13.601 23 3HD2 LEU 3 HD23 LEU 3 95.320 1.627 -13.073 24 HA PRO 4 HA PRO 4 89.443 -3.515 -11.915 25 1HB PRO 4 2HB PRO 4 90.236 -3.927 -9.308 26 2HB PRO 4 3HB PRO 4 90.809 -4.879 -10.687 27 1HG PRO 4 2HG PRO 4 92.157 -2.703 -9.205 28 2HG PRO 4 3HG PRO 4 92.839 -4.137 -9.990 29 1HD PRO 4 2HD PRO 4 92.947 -1.595 -11.062 30 2HD PRO 4 3HD PRO 4 93.039 -3.087 -12.025 31 H HIS 5 HN HIS 5 90.264 -0.422 -10.902 32 HA HIS 5 HA HIS 5 88.298 -0.186 -8.745 33 1HB HIS 5 2HB HIS 5 89.861 1.918 -10.271 34 2HB HIS 5 3HB HIS 5 88.836 2.247 -8.874 35 HD1 HIS 5 HD1 HIS 5 89.513 0.264 -6.837 36 HD2 HIS 5 HD2 HIS 5 92.466 1.755 -9.375 37 HE1 HIS 5 HE1 HIS 5 91.724 -0.146 -5.676 38 H HIS 6 HN HIS 6 88.059 -0.351 -12.087 39 HA HIS 6 HA HIS 6 85.953 1.624 -12.480 40 1HB HIS 6 2HB HIS 6 86.764 -0.762 -14.164 41 2HB HIS 6 3HB HIS 6 85.640 0.497 -14.667 42 HD1 HIS 6 HD1 HIS 6 86.868 3.070 -14.162 43 HD2 HIS 6 HD2 HIS 6 89.247 -0.194 -15.195 44 HE1 HIS 6 HE1 HIS 6 89.035 4.019 -15.071 45 H ASP 7 HN ASP 7 86.070 -1.794 -11.635 46 HA ASP 7 HA ASP 7 83.105 -1.893 -11.730 47 1HB ASP 7 2HB ASP 7 85.198 -4.074 -11.644 48 2HB ASP 7 3HB ASP 7 83.470 -4.386 -11.477 49 H GLU 8 HN GLU 8 81.948 -2.023 -9.870 50 HA GLU 8 HA GLU 8 83.190 -1.529 -7.328 51 1HB GLU 8 2HB GLU 8 80.403 -2.434 -8.075 52 2HB GLU 8 3HB GLU 8 80.882 -2.017 -6.430 53 1HG GLU 8 2HG GLU 8 81.359 0.248 -7.050 54 2HG GLU 8 3HG GLU 8 81.227 -0.130 -8.771 55 H LYS 9 HN LYS 9 82.191 -4.453 -8.960 56 HA LYS 9 HA LYS 9 82.015 -6.237 -6.784 57 1HB LYS 9 2HB LYS 9 82.315 -7.979 -8.389 58 2HB LYS 9 3HB LYS 9 81.537 -6.657 -9.272 59 1HG LYS 9 2HG LYS 9 83.915 -5.854 -9.822 60 2HG LYS 9 3HG LYS 9 84.450 -7.442 -9.277 61 1HD LYS 9 2HD LYS 9 83.307 -8.555 -11.003 62 2HD LYS 9 3HD LYS 9 82.274 -7.163 -11.341 63 1HE LYS 9 2HE LYS 9 83.800 -6.246 -12.736 64 2HE LYS 9 3HE LYS 9 85.115 -6.519 -11.590 65 1HZ LYS 9 HZ3 LYS 9 84.739 -8.995 -12.343 66 2HZ LYS 9 HZ2 LYS 9 84.133 -8.247 -13.745 67 3HZ LYS 9 HZ1 LYS 9 85.725 -7.946 -13.236 68 H THR 10 HN THR 10 84.910 -5.016 -8.444 69 HA THR 10 HA THR 10 86.705 -6.930 -7.300 70 HB THR 10 HB THR 10 88.481 -5.280 -7.893 71 HG1 THR 10 HG1 THR 10 86.265 -3.730 -8.734 72 1HG2 THR 10 HG22 THR 10 87.369 -6.917 -9.517 73 2HG2 THR 10 HG21 THR 10 86.442 -5.539 -10.111 74 3HG2 THR 10 HG23 THR 10 88.201 -5.544 -10.243 75 H TRP 11 HN TRP 11 85.393 -3.917 -6.023 76 HA TRP 11 HA TRP 11 86.966 -4.441 -3.528 77 1HB TRP 11 2HB TRP 11 86.131 -1.814 -3.336 78 2HB TRP 11 3HB TRP 11 87.739 -2.336 -3.845 79 HD1 TRP 11 HD1 TRP 11 87.956 -2.862 -6.567 80 HE1 TRP 11 HE1 TRP 11 86.945 -1.541 -8.537 81 HE3 TRP 11 HE3 TRP 11 84.288 -0.308 -4.110 82 HZ2 TRP 11 HZ2 TRP 11 84.871 0.383 -8.996 83 HZ3 TRP 11 HZ3 TRP 11 82.814 1.261 -5.325 84 HH2 TRP 11 HH2 TRP 11 83.099 1.614 -7.768 85 H ASN 12 HN ASN 12 83.841 -3.711 -4.934 86 HA ASN 12 HA ASN 12 82.544 -3.436 -2.316 87 1HB ASN 12 2HB ASN 12 81.763 -2.228 -4.397 88 2HB ASN 12 3HB ASN 12 81.218 -3.786 -5.016 89 1HD2 ASN 12 HD22 ASN 12 78.263 -2.396 -3.316 90 2HD2 ASN 12 HD21 ASN 12 79.154 -2.102 -4.730 91 H VAL 13 HN VAL 13 81.661 -5.102 -1.168 92 HA VAL 13 HA VAL 13 81.784 -7.813 -2.377 93 HB VAL 13 HB VAL 13 81.172 -6.983 0.460 94 1HG1 VAL 13 HG13 VAL 13 81.653 -9.617 -0.903 95 2HG1 VAL 13 HG12 VAL 13 81.995 -9.417 0.817 96 3HG1 VAL 13 HG11 VAL 13 80.360 -9.164 0.208 97 1HG2 VAL 13 HG21 VAL 13 83.676 -7.075 -0.988 98 2HG2 VAL 13 HG23 VAL 13 83.348 -6.516 0.654 99 3HG2 VAL 13 HG22 VAL 13 83.680 -8.221 0.353 100 H GLY 14 HN GLY 14 79.535 -5.327 -1.725 101 1HA GLY 14 2HA GLY 14 77.231 -5.328 -2.305 102 2HA GLY 14 3HA GLY 14 77.312 -7.078 -2.522 103 H SER 15 HN SER 15 75.308 -7.204 -1.229 104 HA SER 15 HA SER 15 75.136 -6.246 1.465 105 1HB SER 15 2HB SER 15 73.248 -7.756 1.695 106 2HB SER 15 3HB SER 15 73.193 -7.029 0.092 107 HG SER 15 HG SER 15 74.576 -9.442 0.491 108 H SER 16 HN SER 16 75.964 -7.064 3.345 109 HA SER 16 HA SER 16 76.514 -9.829 3.820 110 1HB SER 16 2HB SER 16 78.347 -9.414 2.175 111 2HB SER 16 3HB SER 16 78.971 -8.155 3.232 112 HG SER 16 HG SER 16 79.859 -9.651 4.397 113 H ASN 17 HN ASN 17 77.755 -10.105 5.905 114 HA ASN 17 HA ASN 17 77.077 -7.867 7.730 115 1HB ASN 17 2HB ASN 17 77.914 -10.736 8.269 116 2HB ASN 17 3HB ASN 17 77.504 -9.561 9.519 117 1HD2 ASN 17 HD22 ASN 17 74.477 -11.630 8.467 118 2HD2 ASN 17 HD21 ASN 17 76.061 -12.086 8.873 119 H ARG 18 HN ARG 18 78.658 -6.926 9.116 120 HA ARG 18 HA ARG 18 81.288 -6.617 8.064 121 1HB ARG 18 2HB ARG 18 79.979 -5.963 10.682 122 2HB ARG 18 3HB ARG 18 81.725 -5.778 10.517 123 1HG ARG 18 2HG ARG 18 79.868 -4.639 8.429 124 2HG ARG 18 3HG ARG 18 80.184 -3.745 9.914 125 1HD ARG 18 2HD ARG 18 82.724 -4.554 9.084 126 2HD ARG 18 3HD ARG 18 81.915 -4.123 7.582 127 HE ARG 18 HE ARG 18 82.933 -2.260 9.429 128 1HH1 ARG 18 HH21 ARG 18 79.947 -3.032 7.900 129 2HH1 ARG 18 HH22 ARG 18 79.274 -1.450 8.112 130 1HH2 ARG 18 HH11 ARG 18 82.071 -0.192 9.733 131 2HH2 ARG 18 HH12 ARG 18 80.478 0.159 9.151 132 H ASN 19 HN ASN 19 80.025 -8.872 10.518 133 HA ASN 19 HA ASN 19 82.523 -9.809 11.497 134 1HB ASN 19 2HB ASN 19 80.218 -10.455 12.356 135 2HB ASN 19 3HB ASN 19 80.096 -11.550 10.978 136 1HD2 ASN 19 HD22 ASN 19 82.978 -12.391 13.801 137 2HD2 ASN 19 HD21 ASN 19 82.577 -10.771 13.492 138 H LYS 20 HN LYS 20 80.590 -10.882 8.697 139 HA LYS 20 HA LYS 20 82.393 -12.910 7.809 140 1HB LYS 20 2HB LYS 20 80.073 -12.616 6.938 141 2HB LYS 20 3HB LYS 20 80.585 -11.140 6.122 142 1HG LYS 20 2HG LYS 20 82.227 -12.436 4.809 143 2HG LYS 20 3HG LYS 20 81.721 -13.911 5.635 144 1HD LYS 20 2HD LYS 20 79.554 -13.847 4.658 145 2HD LYS 20 3HD LYS 20 79.755 -12.175 4.137 146 1HE LYS 20 2HE LYS 20 81.538 -12.877 2.579 147 2HE LYS 20 3HE LYS 20 81.315 -14.552 3.084 148 1HZ LYS 20 HZ3 LYS 20 78.952 -14.315 2.373 149 2HZ LYS 20 HZ2 LYS 20 79.356 -12.810 1.698 150 3HZ LYS 20 HZ1 LYS 20 80.077 -14.229 1.106 151 H ALA 21 HN ALA 21 82.300 -9.411 7.363 152 HA ALA 21 HA ALA 21 84.323 -9.190 5.364 153 1HB ALA 21 HB3 ALA 21 82.845 -7.310 6.234 154 2HB ALA 21 HB2 ALA 21 83.876 -7.263 7.663 155 3HB ALA 21 HB1 ALA 21 84.553 -6.893 6.079 156 H GLU 22 HN GLU 22 84.479 -9.463 8.892 157 HA GLU 22 HA GLU 22 87.224 -8.975 9.294 158 1HB GLU 22 2HB GLU 22 85.390 -10.963 10.670 159 2HB GLU 22 3HB GLU 22 87.005 -10.553 11.246 160 1HG GLU 22 2HG GLU 22 86.363 -8.191 11.445 161 2HG GLU 22 3HG GLU 22 84.756 -8.561 10.821 162 H ASN 23 HN ASN 23 85.612 -12.054 8.463 163 HA ASN 23 HA ASN 23 88.017 -13.592 8.278 164 1HB ASN 23 2HB ASN 23 86.707 -15.248 7.171 165 2HB ASN 23 3HB ASN 23 85.599 -14.460 8.291 166 1HD2 ASN 23 HD22 ASN 23 83.389 -13.682 5.678 167 2HD2 ASN 23 HD21 ASN 23 83.611 -14.136 7.299 168 H LEU 24 HN LEU 24 86.200 -11.636 5.936 169 HA LEU 24 HA LEU 24 87.900 -12.203 3.681 170 1HB LEU 24 2HB LEU 24 86.130 -9.819 4.323 171 2HB LEU 24 3HB LEU 24 86.979 -10.008 2.792 172 HG LEU 24 HG LEU 24 84.997 -12.005 3.929 173 1HD1 LEU 24 HD11 LEU 24 84.721 -9.604 2.227 174 2HD1 LEU 24 HD13 LEU 24 83.932 -11.052 1.598 175 3HD1 LEU 24 HD12 LEU 24 83.509 -10.441 3.197 176 1HD2 LEU 24 HD21 LEU 24 86.896 -12.002 1.662 177 2HD2 LEU 24 HD23 LEU 24 86.129 -13.363 2.483 178 3HD2 LEU 24 HD22 LEU 24 85.253 -12.479 1.234 179 H LEU 25 HN LEU 25 88.090 -9.996 6.410 180 HA LEU 25 HA LEU 25 90.441 -8.600 5.255 181 1HB LEU 25 2HB LEU 25 88.987 -8.273 7.898 182 2HB LEU 25 3HB LEU 25 90.322 -7.260 7.352 183 HG LEU 25 HG LEU 25 87.896 -7.614 5.611 184 1HD1 LEU 25 HD13 LEU 25 87.071 -6.948 7.845 185 2HD1 LEU 25 HD12 LEU 25 88.218 -5.610 7.866 186 3HD1 LEU 25 HD11 LEU 25 86.905 -5.627 6.689 187 1HD2 LEU 25 HD23 LEU 25 89.918 -5.384 6.039 188 2HD2 LEU 25 HD22 LEU 25 89.879 -6.501 4.672 189 3HD2 LEU 25 HD21 LEU 25 88.579 -5.329 4.890 190 H ARG 26 HN ARG 26 89.793 -11.352 7.148 191 HA ARG 26 HA ARG 26 92.177 -11.173 8.800 192 1HB ARG 26 2HB ARG 26 91.293 -12.927 9.946 193 2HB ARG 26 3HB ARG 26 89.836 -12.593 9.007 194 1HG ARG 26 2HG ARG 26 90.599 -14.203 7.281 195 2HG ARG 26 3HG ARG 26 92.022 -14.565 8.262 196 1HD ARG 26 2HD ARG 26 89.879 -14.826 10.036 197 2HD ARG 26 3HD ARG 26 89.291 -15.550 8.541 198 HE ARG 26 HE ARG 26 91.846 -16.609 8.872 199 1HH1 ARG 26 HH21 ARG 26 88.929 -16.400 10.695 200 2HH1 ARG 26 HH22 ARG 26 89.214 -17.867 11.574 201 1HH2 ARG 26 HH11 ARG 26 92.240 -18.526 10.006 202 2HH2 ARG 26 HH12 ARG 26 91.094 -19.073 11.184 203 H GLY 27 HN GLY 27 91.210 -13.114 6.059 204 1HA GLY 27 2HA GLY 27 93.972 -14.087 5.711 205 2HA GLY 27 3HA GLY 27 92.578 -14.561 4.734 206 H LYS 28 HN LYS 28 93.173 -11.177 5.394 207 HA LYS 28 HA LYS 28 93.954 -10.862 2.517 208 1HB LYS 28 2HB LYS 28 91.826 -9.698 3.989 209 2HB LYS 28 3HB LYS 28 92.981 -8.410 3.653 210 1HG LYS 28 2HG LYS 28 91.356 -8.623 1.816 211 2HG LYS 28 3HG LYS 28 92.982 -9.029 1.266 212 1HD LYS 28 2HD LYS 28 92.466 -11.222 0.930 213 2HD LYS 28 3HD LYS 28 91.407 -11.294 2.340 214 1HE LYS 28 2HE LYS 28 89.653 -10.090 1.113 215 2HE LYS 28 3HE LYS 28 90.715 -9.945 -0.289 216 1HZ LYS 28 HZ1 LYS 28 90.553 -12.639 0.582 217 2HZ LYS 28 HZ3 LYS 28 89.000 -12.023 0.287 218 3HZ LYS 28 HZ2 LYS 28 90.178 -11.976 -0.938 219 H ARG 29 HN ARG 29 95.921 -10.056 2.160 220 HA ARG 29 HA ARG 29 97.624 -9.178 4.338 221 1HB ARG 29 2HB ARG 29 98.433 -10.337 2.245 222 2HB ARG 29 3HB ARG 29 98.089 -8.849 1.363 223 1HG ARG 29 2HG ARG 29 99.647 -7.608 2.784 224 2HG ARG 29 3HG ARG 29 99.957 -9.057 3.741 225 1HD ARG 29 2HD ARG 29 100.337 -9.594 0.918 226 2HD ARG 29 3HD ARG 29 101.335 -8.241 1.433 227 HE ARG 29 HE ARG 29 101.663 -10.208 3.405 228 1HH1 ARG 29 HH21 ARG 29 102.060 -9.853 0.007 229 2HH1 ARG 29 HH22 ARG 29 103.332 -11.023 -0.106 230 1HH2 ARG 29 HH11 ARG 29 103.324 -11.747 3.287 231 2HH2 ARG 29 HH12 ARG 29 104.051 -12.094 1.755 232 H ASP 30 HN ASP 30 98.624 -6.999 4.421 233 HA ASP 30 HA ASP 30 96.721 -4.902 4.394 234 1HB ASP 30 2HB ASP 30 98.613 -3.388 4.720 235 2HB ASP 30 3HB ASP 30 98.821 -4.835 5.703 236 H GLY 31 HN GLY 31 96.447 -3.109 2.978 237 1HA GLY 31 2HA GLY 31 96.906 -1.908 0.913 238 2HA GLY 31 3HA GLY 31 97.689 -3.357 0.283 239 H THR 32 HN THR 32 95.281 -4.887 1.509 240 HA THR 32 HA THR 32 93.543 -4.510 -0.878 241 HB THR 32 HB THR 32 93.541 -6.760 1.149 242 HG1 THR 32 HG1 THR 32 95.391 -7.040 0.094 243 1HG2 THR 32 HG23 THR 32 92.038 -6.131 -1.362 244 2HG2 THR 32 HG22 THR 32 92.412 -7.818 -1.011 245 3HG2 THR 32 HG21 THR 32 91.458 -6.869 0.130 246 H PHE 33 HN PHE 33 91.566 -3.542 -0.596 247 HA PHE 33 HA PHE 33 90.430 -3.631 2.158 248 1HB PHE 33 2HB PHE 33 90.057 -1.374 2.257 249 2HB PHE 33 3HB PHE 33 91.485 -1.344 1.232 250 HD1 PHE 33 HD1 PHE 33 90.840 -1.792 -1.395 251 HD2 PHE 33 HD2 PHE 33 88.278 -0.085 1.598 252 HE1 PHE 33 HE1 PHE 33 89.475 -0.701 -3.152 253 HE2 PHE 33 HE2 PHE 33 86.935 1.001 -0.190 254 HZ PHE 33 HZ PHE 33 87.532 0.687 -2.542 255 H LEU 34 HN LEU 34 88.054 -3.311 2.160 256 HA LEU 34 HA LEU 34 86.850 -4.057 -0.472 257 1HB LEU 34 2HB LEU 34 85.254 -5.517 0.836 258 2HB LEU 34 3HB LEU 34 86.910 -6.098 0.809 259 HG LEU 34 HG LEU 34 86.949 -4.492 3.020 260 1HD1 LEU 34 HD13 LEU 34 84.470 -4.185 2.743 261 2HD1 LEU 34 HD12 LEU 34 84.278 -5.919 2.995 262 3HD1 LEU 34 HD11 LEU 34 84.928 -4.906 4.284 263 1HD2 LEU 34 HD23 LEU 34 86.502 -7.423 2.540 264 2HD2 LEU 34 HD22 LEU 34 87.900 -6.612 3.243 265 3HD2 LEU 34 HD21 LEU 34 86.428 -6.816 4.193 266 H VAL 35 HN VAL 35 84.597 -3.387 -0.723 267 HA VAL 35 HA VAL 35 83.878 -1.164 1.136 268 HB VAL 35 HB VAL 35 83.343 -1.446 -1.838 269 1HG1 VAL 35 HG12 VAL 35 82.039 0.156 0.277 270 2HG1 VAL 35 HG11 VAL 35 82.588 1.095 -1.111 271 3HG1 VAL 35 HG13 VAL 35 81.465 -0.246 -1.343 272 1HG2 VAL 35 HG21 VAL 35 85.626 -0.648 -0.832 273 2HG2 VAL 35 HG23 VAL 35 84.884 0.316 -2.105 274 3HG2 VAL 35 HG22 VAL 35 84.740 0.822 -0.424 275 H ARG 36 HN ARG 36 81.926 -1.313 2.155 276 HA ARG 36 HA ARG 36 79.807 -3.042 0.998 277 1HB ARG 36 2HB ARG 36 80.920 -3.379 3.796 278 2HB ARG 36 3HB ARG 36 79.449 -4.146 3.201 279 1HG ARG 36 2HG ARG 36 81.172 -4.856 1.251 280 2HG ARG 36 3HG ARG 36 82.273 -4.790 2.623 281 1HD ARG 36 2HD ARG 36 79.958 -6.595 2.135 282 2HD ARG 36 3HD ARG 36 81.510 -6.963 2.880 283 HE ARG 36 HE ARG 36 79.146 -6.437 4.303 284 1HH1 ARG 36 HH21 ARG 36 82.371 -5.220 4.152 285 2HH1 ARG 36 HH22 ARG 36 82.298 -4.482 5.713 286 1HH2 ARG 36 HH11 ARG 36 79.053 -5.496 6.343 287 2HH2 ARG 36 HH12 ARG 36 80.429 -4.633 6.941 288 H GLU 37 HN GLU 37 78.567 -2.881 3.789 289 HA GLU 37 HA GLU 37 77.628 -0.080 3.495 290 1HB GLU 37 2HB GLU 37 76.292 -2.411 4.905 291 2HB GLU 37 3HB GLU 37 75.584 -0.824 4.613 292 1HG GLU 37 2HG GLU 37 74.694 -2.072 2.854 293 2HG GLU 37 3HG GLU 37 76.113 -1.348 2.099 294 H SER 38 HN SER 38 76.835 0.766 5.798 295 HA SER 38 HA SER 38 79.163 0.603 7.578 296 1HB SER 38 2HB SER 38 76.438 1.878 8.028 297 2HB SER 38 3HB SER 38 77.853 2.102 9.051 298 HG SER 38 HG SER 38 78.116 3.739 7.722 299 H SER 39 HN SER 39 77.183 -1.580 6.787 300 HA SER 39 HA SER 39 76.942 -3.666 7.936 301 1HB SER 39 2HB SER 39 76.370 -2.103 10.466 302 2HB SER 39 3HB SER 39 76.792 -3.802 10.307 303 HG SER 39 HG SER 39 78.795 -2.797 9.255 304 H LYS 40 HN LYS 40 75.014 -0.791 8.743 305 HA LYS 40 HA LYS 40 72.523 -2.378 8.641 306 1HB LYS 40 2HB LYS 40 72.993 0.590 9.069 307 2HB LYS 40 3HB LYS 40 71.431 -0.219 9.194 308 1HG LYS 40 2HG LYS 40 72.386 -1.684 10.990 309 2HG LYS 40 3HG LYS 40 73.872 -0.733 10.920 310 1HD LYS 40 2HD LYS 40 72.628 1.299 11.495 311 2HD LYS 40 3HD LYS 40 71.120 0.387 11.514 312 1HE LYS 40 2HE LYS 40 71.854 0.605 13.799 313 2HE LYS 40 3HE LYS 40 72.122 -1.070 13.319 314 1HZ LYS 40 HZ1 LYS 40 74.420 0.198 12.602 315 2HZ LYS 40 HZ3 LYS 40 74.018 0.936 14.072 316 3HZ LYS 40 HZ2 LYS 40 74.199 -0.752 13.993 317 H GLN 41 HN GLN 41 70.903 -2.018 7.002 318 HA GLN 41 HA GLN 41 71.953 -1.460 4.380 319 1HB GLN 41 2HB GLN 41 69.083 -1.654 5.347 320 2HB GLN 41 3HB GLN 41 69.566 -1.573 3.653 321 1HG GLN 41 2HG GLN 41 69.357 -3.879 4.023 322 2HG GLN 41 3HG GLN 41 71.088 -3.605 4.231 323 1HE2 GLN 41 HE22 GLN 41 70.905 -5.075 7.418 324 2HE2 GLN 41 HE21 GLN 41 71.697 -4.982 5.920 325 H GLY 42 HN GLY 42 71.683 0.376 3.071 326 1HA GLY 42 2HA GLY 42 70.853 2.571 2.553 327 2HA GLY 42 3HA GLY 42 70.253 2.709 4.205 328 H CYS 43 HN CYS 43 73.376 1.467 4.270 329 HA CYS 43 HA CYS 43 74.548 4.207 4.507 330 1HB CYS 43 2HB CYS 43 74.826 1.871 6.402 331 2HB CYS 43 3HB CYS 43 75.912 3.260 6.424 332 HG CYS 43 HG CYS 43 73.691 4.757 6.806 333 H TYR 44 HN TYR 44 76.945 4.234 4.218 334 HA TYR 44 HA TYR 44 77.886 1.868 2.648 335 1HB TYR 44 2HB TYR 44 78.482 4.807 2.176 336 2HB TYR 44 3HB TYR 44 79.241 3.476 1.303 337 HD1 TYR 44 HD2 TYR 44 75.978 5.105 2.032 338 HD2 TYR 44 HD1 TYR 44 78.131 2.392 -0.503 339 HE1 TYR 44 HE2 TYR 44 74.059 5.047 0.462 340 HE2 TYR 44 HE1 TYR 44 76.210 2.327 -2.070 341 HH TYR 44 HH TYR 44 74.270 3.421 -2.648 342 H ALA 45 HN ALA 45 80.122 1.312 2.954 343 HA ALA 45 HA ALA 45 81.855 2.896 4.643 344 1HB ALA 45 HB3 ALA 45 80.526 0.445 5.832 345 2HB ALA 45 HB2 ALA 45 81.941 1.237 6.526 346 3HB ALA 45 HB1 ALA 45 80.406 2.101 6.424 347 H CYS 46 HN CYS 46 83.980 2.124 4.458 348 HA CYS 46 HA CYS 46 84.277 -0.483 3.056 349 1HB CYS 46 2HB CYS 46 86.040 0.414 1.685 350 2HB CYS 46 3HB CYS 46 84.718 1.586 1.612 351 HG CYS 46 HG CYS 46 87.407 2.014 3.082 352 H SER 47 HN SER 47 86.076 -1.712 3.666 353 HA SER 47 HA SER 47 87.444 -0.733 6.139 354 1HB SER 47 2HB SER 47 87.442 -2.987 6.980 355 2HB SER 47 3HB SER 47 85.801 -2.625 6.454 356 HG SER 47 HG SER 47 87.711 -3.835 4.754 357 H VAL 48 HN VAL 48 89.673 -1.065 6.264 358 HA VAL 48 HA VAL 48 90.948 -2.400 3.920 359 HB VAL 48 HB VAL 48 91.292 -0.105 3.438 360 1HG1 VAL 48 HG13 VAL 48 91.397 0.123 6.393 361 2HG1 VAL 48 HG12 VAL 48 92.423 1.235 5.489 362 3HG1 VAL 48 HG11 VAL 48 90.683 1.215 5.206 363 1HG2 VAL 48 HG21 VAL 48 93.368 -1.573 3.531 364 2HG2 VAL 48 HG23 VAL 48 93.662 0.163 3.629 365 3HG2 VAL 48 HG22 VAL 48 93.717 -0.825 5.089 366 H VAL 49 HN VAL 49 93.046 -3.258 4.359 367 HA VAL 49 HA VAL 49 93.482 -3.862 7.256 368 HB VAL 49 HB VAL 49 94.195 -5.402 4.761 369 1HG1 VAL 49 HG13 VAL 49 95.359 -5.462 7.432 370 2HG1 VAL 49 HG12 VAL 49 94.669 -7.022 6.982 371 3HG1 VAL 49 HG11 VAL 49 95.896 -6.273 5.959 372 1HG2 VAL 49 HG21 VAL 49 92.066 -5.548 6.818 373 2HG2 VAL 49 HG23 VAL 49 92.039 -6.061 5.132 374 3HG2 VAL 49 HG22 VAL 49 92.791 -7.088 6.353 375 H VAL 50 HN VAL 50 95.415 -3.237 8.163 376 HA VAL 50 HA VAL 50 97.555 -2.390 6.270 377 HB VAL 50 HB VAL 50 96.466 -0.452 7.474 378 1HG1 VAL 50 HG13 VAL 50 97.782 -1.768 9.862 379 2HG1 VAL 50 HG12 VAL 50 97.071 -0.158 9.856 380 3HG1 VAL 50 HG11 VAL 50 96.052 -1.573 9.615 381 1HG2 VAL 50 HG23 VAL 50 99.115 -0.932 6.866 382 2HG2 VAL 50 HG22 VAL 50 98.462 0.629 7.362 383 3HG2 VAL 50 HG21 VAL 50 99.203 -0.437 8.556 384 H ASP 51 HN ASP 51 99.727 -2.692 7.087 385 HA ASP 51 HA ASP 51 100.297 -5.213 8.098 386 1HB ASP 51 2HB ASP 51 101.918 -3.589 7.029 387 2HB ASP 51 3HB ASP 51 102.002 -2.763 8.584 388 H GLY 52 HN GLY 52 99.214 -2.492 9.773 389 1HA GLY 52 2HA GLY 52 100.158 -3.460 12.389 390 2HA GLY 52 3HA GLY 52 99.307 -1.948 12.100 391 H GLU 53 HN GLU 53 96.940 -2.686 10.935 392 HA GLU 53 HA GLU 53 95.794 -4.974 12.392 393 1HB GLU 53 2HB GLU 53 95.070 -2.136 13.149 394 2HB GLU 53 3HB GLU 53 94.142 -3.555 13.629 395 1HG GLU 53 2HG GLU 53 96.293 -4.464 14.658 396 2HG GLU 53 3HG GLU 53 96.987 -2.864 14.392 397 H VAL 54 HN VAL 54 93.377 -5.072 12.101 398 HA VAL 54 HA VAL 54 92.661 -4.361 9.326 399 HB VAL 54 HB VAL 54 91.236 -5.922 11.507 400 1HG1 VAL 54 HG12 VAL 54 90.440 -5.351 8.640 401 2HG1 VAL 54 HG11 VAL 54 89.689 -6.590 9.645 402 3HG1 VAL 54 HG13 VAL 54 89.560 -4.892 10.097 403 1HG2 VAL 54 HG23 VAL 54 92.927 -6.615 9.125 404 2HG2 VAL 54 HG22 VAL 54 92.941 -7.314 10.745 405 3HG2 VAL 54 HG21 VAL 54 91.648 -7.727 9.618 406 H LYS 55 HN LYS 55 91.179 -2.674 8.851 407 HA LYS 55 HA LYS 55 89.918 -1.367 11.233 408 1HB LYS 55 2HB LYS 55 91.290 -0.010 8.906 409 2HB LYS 55 3HB LYS 55 90.367 0.831 10.151 410 1HG LYS 55 2HG LYS 55 92.454 0.993 11.107 411 2HG LYS 55 3HG LYS 55 92.003 -0.595 11.734 412 1HD LYS 55 2HD LYS 55 94.147 -0.932 10.778 413 2HD LYS 55 3HD LYS 55 93.013 -1.546 9.572 414 1HE LYS 55 2HE LYS 55 93.739 1.337 9.388 415 2HE LYS 55 3HE LYS 55 94.975 0.169 8.934 416 1HZ LYS 55 HZ1 LYS 55 92.675 -0.765 7.786 417 2HZ LYS 55 HZ3 LYS 55 92.603 0.912 7.549 418 3HZ LYS 55 HZ2 LYS 55 93.946 0.035 6.991 419 H HIS 56 HN HIS 56 87.952 -0.300 10.874 420 HA HIS 56 HA HIS 56 86.570 -0.976 8.315 421 1HB HIS 56 2HB HIS 56 85.581 -0.625 11.152 422 2HB HIS 56 3HB HIS 56 84.484 -0.506 9.778 423 HD1 HIS 56 HD1 HIS 56 86.121 -2.952 11.964 424 HD2 HIS 56 HD2 HIS 56 84.468 -2.957 8.144 425 HE1 HIS 56 HE1 HIS 56 85.709 -5.383 11.360 426 H CYS 57 HN CYS 57 86.387 0.832 7.019 427 HA CYS 57 HA CYS 57 86.312 3.491 8.376 428 1HB CYS 57 2HB CYS 57 88.084 3.124 6.628 429 2HB CYS 57 3HB CYS 57 86.799 2.896 5.439 430 HG CYS 57 HG CYS 57 87.293 5.590 6.958 431 H VAL 58 HN VAL 58 84.437 4.610 8.362 432 HA VAL 58 HA VAL 58 82.149 3.419 6.920 433 HB VAL 58 HB VAL 58 82.156 4.092 9.390 434 1HG1 VAL 58 HG11 VAL 58 83.173 6.412 8.616 435 2HG1 VAL 58 HG13 VAL 58 81.478 6.837 8.396 436 3HG1 VAL 58 HG12 VAL 58 82.060 6.335 9.984 437 1HG2 VAL 58 HG21 VAL 58 80.142 4.354 7.314 438 2HG2 VAL 58 HG23 VAL 58 79.961 3.766 8.965 439 3HG2 VAL 58 HG22 VAL 58 79.832 5.492 8.625 440 H ILE 59 HN ILE 59 81.195 4.343 5.187 441 HA ILE 59 HA ILE 59 82.042 7.103 4.428 442 HB ILE 59 HB ILE 59 81.299 4.773 2.625 443 1HG1 ILE 59 HG12 ILE 59 83.908 6.302 2.883 444 2HG1 ILE 59 HG11 ILE 59 83.599 4.757 3.675 445 1HG2 ILE 59 HG21 ILE 59 81.612 7.712 2.174 446 2HG2 ILE 59 HG23 ILE 59 82.262 6.628 0.944 447 3HG2 ILE 59 HG22 ILE 59 80.550 6.558 1.364 448 1HD1 ILE 59 HD12 ILE 59 83.131 3.743 1.448 449 2HD1 ILE 59 HD11 ILE 59 83.545 5.281 0.688 450 3HD1 ILE 59 HD13 ILE 59 84.775 4.373 1.566 451 H ASN 60 HN ASN 60 80.370 8.538 3.873 452 HA ASN 60 HA ASN 60 77.604 7.453 4.273 453 1HB ASN 60 2HB ASN 60 78.747 10.221 4.752 454 2HB ASN 60 3HB ASN 60 77.027 9.845 4.840 455 1HD2 ASN 60 HD22 ASN 60 78.514 9.519 8.272 456 2HD2 ASN 60 HD21 ASN 60 78.420 10.780 7.140 457 H LYS 61 HN LYS 61 75.971 8.121 2.768 458 HA LYS 61 HA LYS 61 77.088 9.330 0.271 459 1HB LYS 61 2HB LYS 61 76.310 6.977 0.054 460 2HB LYS 61 3HB LYS 61 74.700 7.486 0.563 461 1HG LYS 61 2HG LYS 61 74.533 8.989 -1.366 462 2HG LYS 61 3HG LYS 61 76.169 8.560 -1.865 463 1HD LYS 61 2HD LYS 61 74.543 6.186 -1.445 464 2HD LYS 61 3HD LYS 61 73.807 7.265 -2.631 465 1HE LYS 61 2HE LYS 61 75.925 7.345 -3.887 466 2HE LYS 61 3HE LYS 61 76.678 6.283 -2.697 467 1HZ LYS 61 HZ3 LYS 61 74.574 4.828 -3.299 468 2HZ LYS 61 HZ2 LYS 61 74.715 5.671 -4.767 469 3HZ LYS 61 HZ1 LYS 61 76.015 4.740 -4.193 470 H THR 62 HN THR 62 76.571 11.479 0.431 471 HA THR 62 HA THR 62 73.767 12.231 0.223 472 HB THR 62 HB THR 62 75.325 13.179 2.643 473 HG1 THR 62 HG1 THR 62 73.375 11.231 2.212 474 1HG2 THR 62 HG23 THR 62 72.601 13.842 1.530 475 2HG2 THR 62 HG22 THR 62 73.027 14.133 3.217 476 3HG2 THR 62 HG21 THR 62 73.912 14.950 1.929 477 H ALA 63 HN ALA 63 73.636 14.734 0.050 478 HA ALA 63 HA ALA 63 75.475 15.615 -1.937 479 1HB ALA 63 HB3 ALA 63 73.100 16.508 -1.283 480 2HB ALA 63 HB2 ALA 63 73.994 17.561 -0.187 481 3HB ALA 63 HB1 ALA 63 74.295 17.635 -1.923 482 H THR 64 HN THR 64 75.370 16.248 1.571 483 HA THR 64 HA THR 64 78.079 17.492 1.322 484 HB THR 64 HB THR 64 76.022 17.826 3.530 485 HG1 THR 64 HG1 THR 64 76.601 20.074 2.293 486 1HG2 THR 64 HG21 THR 64 78.850 18.666 3.183 487 2HG2 THR 64 HG23 THR 64 77.743 19.880 3.824 488 3HG2 THR 64 HG22 THR 64 77.942 18.340 4.660 489 H GLY 65 HN GLY 65 76.777 14.584 1.987 490 1HA GLY 65 2HA GLY 65 78.267 14.003 4.465 491 2HA GLY 65 3HA GLY 65 77.246 12.870 3.587 492 H TYR 66 HN TYR 66 78.150 11.755 1.753 493 HA TYR 66 HA TYR 66 79.885 10.604 0.672 494 1HB TYR 66 2HB TYR 66 81.147 13.333 1.014 495 2HB TYR 66 3HB TYR 66 81.915 12.020 0.116 496 HD1 TYR 66 HD1 TYR 66 80.816 11.071 -1.902 497 HD2 TYR 66 HD2 TYR 66 79.266 14.527 0.119 498 HE1 TYR 66 HE1 TYR 66 79.423 11.601 -3.881 499 HE2 TYR 66 HE2 TYR 66 77.867 15.056 -1.859 500 HH TYR 66 HH TYR 66 78.152 13.203 -4.858 501 H GLY 67 HN GLY 67 82.399 10.095 1.004 502 1HA GLY 67 2HA GLY 67 82.639 9.141 3.736 503 2HA GLY 67 3HA GLY 67 83.840 8.930 2.461 504 H PHE 68 HN PHE 68 85.388 10.640 2.103 505 HA PHE 68 HA PHE 68 85.941 12.201 4.548 506 1HB PHE 68 2HB PHE 68 87.476 11.882 1.951 507 2HB PHE 68 3HB PHE 68 88.032 12.841 3.318 508 HD1 PHE 68 HD1 PHE 68 86.199 10.028 4.536 509 HD2 PHE 68 HD2 PHE 68 90.020 11.160 2.921 510 HE1 PHE 68 HE1 PHE 68 87.221 8.007 5.529 511 HE2 PHE 68 HE2 PHE 68 91.040 9.139 3.917 512 HZ PHE 68 HZ PHE 68 89.645 7.559 5.221 513 H ALA 69 HN ALA 69 85.530 14.377 4.724 514 HA ALA 69 HA ALA 69 84.886 15.853 2.206 515 1HB ALA 69 HB1 ALA 69 83.392 15.742 4.805 516 2HB ALA 69 HB3 ALA 69 83.355 17.223 3.851 517 3HB ALA 69 HB2 ALA 69 82.767 15.712 3.156 518 H GLU 70 HN GLU 70 86.887 15.606 4.878 519 HA GLU 70 HA GLU 70 87.249 18.391 5.500 520 1HB GLU 70 2HB GLU 70 89.051 15.984 5.890 521 2HB GLU 70 3HB GLU 70 89.449 17.598 6.474 522 1HG GLU 70 2HG GLU 70 86.943 16.050 7.201 523 2HG GLU 70 3HG GLU 70 88.366 16.218 8.229 524 HA PRO 71 HA PRO 71 90.755 17.856 2.135 525 1HB PRO 71 2HB PRO 71 89.327 16.175 0.177 526 2HB PRO 71 3HB PRO 71 90.986 16.028 0.783 527 1HG PRO 71 2HG PRO 71 89.060 14.288 1.463 528 2HG PRO 71 3HG PRO 71 90.363 14.742 2.574 529 1HD PRO 71 2HD PRO 71 87.514 15.669 2.536 530 2HD PRO 71 3HD PRO 71 88.558 15.293 3.923 531 H TYR 72 HN TYR 72 87.427 18.422 2.010 532 HA TYR 72 HA TYR 72 86.070 19.789 0.664 533 1HB TYR 72 2HB TYR 72 87.058 22.004 0.250 534 2HB TYR 72 3HB TYR 72 87.468 21.434 1.866 535 HD1 TYR 72 HD2 TYR 72 89.742 20.573 2.360 536 HD2 TYR 72 HD1 TYR 72 88.754 22.296 -1.450 537 HE1 TYR 72 HE2 TYR 72 92.155 20.818 1.846 538 HE2 TYR 72 HE1 TYR 72 91.164 22.543 -1.963 539 HH TYR 72 HH TYR 72 93.547 22.395 0.297 540 H ASN 73 HN ASN 73 87.039 17.639 -0.798 541 HA ASN 73 HA ASN 73 87.813 18.867 -3.409 542 1HB ASN 73 2HB ASN 73 88.095 16.015 -2.414 543 2HB ASN 73 3HB ASN 73 88.498 16.547 -4.048 544 1HD2 ASN 73 HD22 ASN 73 90.981 18.888 -2.236 545 2HD2 ASN 73 HD21 ASN 73 89.437 19.230 -2.851 546 H LEU 74 HN LEU 74 85.253 17.299 -1.723 547 HA LEU 74 HA LEU 74 83.217 16.363 -2.488 548 1HB LEU 74 2HB LEU 74 82.918 18.783 -2.940 549 2HB LEU 74 3HB LEU 74 83.634 18.561 -4.537 550 HG LEU 74 HG LEU 74 81.830 16.923 -5.077 551 1HD1 LEU 74 HD12 LEU 74 81.255 17.380 -2.237 552 2HD1 LEU 74 HD11 LEU 74 79.829 17.528 -3.263 553 3HD1 LEU 74 HD13 LEU 74 80.777 16.039 -3.277 554 1HD2 LEU 74 HD21 LEU 74 81.748 19.651 -5.163 555 2HD2 LEU 74 HD23 LEU 74 80.490 18.611 -5.830 556 3HD2 LEU 74 HD22 LEU 74 80.296 19.308 -4.220 557 H TYR 75 HN TYR 75 84.189 14.316 -3.218 558 HA TYR 75 HA TYR 75 85.330 13.930 -5.797 559 1HB TYR 75 2HB TYR 75 83.742 11.996 -4.083 560 2HB TYR 75 3HB TYR 75 84.697 11.534 -5.492 561 HD1 TYR 75 HD1 TYR 75 87.171 11.820 -5.480 562 HD2 TYR 75 HD2 TYR 75 84.780 12.557 -1.992 563 HE1 TYR 75 HE1 TYR 75 89.207 11.740 -4.069 564 HE2 TYR 75 HE2 TYR 75 86.818 12.478 -0.578 565 HH TYR 75 HH TYR 75 89.635 11.161 -1.496 566 H SER 76 HN SER 76 84.437 13.752 -7.794 567 HA SER 76 HA SER 76 81.699 14.516 -8.234 568 1HB SER 76 2HB SER 76 83.741 13.275 -10.097 569 2HB SER 76 3HB SER 76 82.187 13.924 -10.615 570 HG SER 76 HG SER 76 82.974 15.887 -9.406 571 H SER 77 HN SER 77 83.360 11.367 -8.227 572 HA SER 77 HA SER 77 80.671 10.093 -8.142 573 1HB SER 77 2HB SER 77 81.453 9.988 -10.486 574 2HB SER 77 3HB SER 77 82.939 9.207 -9.953 575 HG SER 77 HG SER 77 81.649 7.538 -10.429 576 H LEU 78 HN LEU 78 80.719 7.932 -7.217 577 HA LEU 78 HA LEU 78 82.432 7.659 -4.951 578 1HB LEU 78 2HB LEU 78 80.764 5.618 -6.441 579 2HB LEU 78 3HB LEU 78 81.574 5.288 -4.912 580 HG LEU 78 HG LEU 78 79.585 7.534 -5.317 581 1HD1 LEU 78 HD11 LEU 78 78.836 5.004 -5.490 582 2HD1 LEU 78 HD13 LEU 78 79.028 5.046 -3.735 583 3HD1 LEU 78 HD12 LEU 78 77.895 6.142 -4.526 584 1HD2 LEU 78 HD21 LEU 78 81.233 6.489 -3.049 585 2HD2 LEU 78 HD23 LEU 78 80.780 8.149 -3.429 586 3HD2 LEU 78 HD22 LEU 78 79.606 7.064 -2.682 587 H LYS 79 HN LYS 79 82.604 6.313 -8.227 588 HA LYS 79 HA LYS 79 84.693 4.445 -7.828 589 1HB LYS 79 2HB LYS 79 83.992 6.171 -10.221 590 2HB LYS 79 3HB LYS 79 85.253 4.938 -10.267 591 1HG LYS 79 2HG LYS 79 83.607 3.224 -9.615 592 2HG LYS 79 3HG LYS 79 82.343 4.455 -9.565 593 1HD LYS 79 2HD LYS 79 82.794 4.956 -11.970 594 2HD LYS 79 3HD LYS 79 83.947 3.621 -12.002 595 1HE LYS 79 2HE LYS 79 81.792 2.840 -12.849 596 2HE LYS 79 3HE LYS 79 82.113 2.078 -11.290 597 1HZ LYS 79 HZ2 LYS 79 80.833 4.510 -10.810 598 2HZ LYS 79 HZ1 LYS 79 79.949 3.707 -12.017 599 3HZ LYS 79 HZ3 LYS 79 80.241 2.943 -10.529 600 H GLU 80 HN GLU 80 84.837 7.937 -8.521 601 HA GLU 80 HA GLU 80 87.696 8.082 -8.659 602 1HB GLU 80 2HB GLU 80 86.156 9.887 -9.450 603 2HB GLU 80 3HB GLU 80 85.758 10.241 -7.767 604 1HG GLU 80 2HG GLU 80 88.108 10.760 -7.295 605 2HG GLU 80 3HG GLU 80 88.548 10.353 -8.954 606 H LEU 81 HN LEU 81 85.403 8.170 -5.982 607 HA LEU 81 HA LEU 81 87.155 9.113 -3.954 608 1HB LEU 81 2HB LEU 81 84.698 8.827 -3.673 609 2HB LEU 81 3HB LEU 81 84.919 7.078 -3.675 610 HG LEU 81 HG LEU 81 86.581 8.678 -1.778 611 1HD1 LEU 81 HD11 LEU 81 83.596 8.321 -1.616 612 2HD1 LEU 81 HD13 LEU 81 84.563 8.362 -0.142 613 3HD1 LEU 81 HD12 LEU 81 84.563 9.746 -1.236 614 1HD2 LEU 81 HD21 LEU 81 85.254 5.963 -1.857 615 2HD2 LEU 81 HD23 LEU 81 86.967 6.343 -1.698 616 3HD2 LEU 81 HD22 LEU 81 85.872 6.630 -0.347 617 H VAL 82 HN VAL 82 86.464 5.762 -4.996 618 HA VAL 82 HA VAL 82 88.363 4.572 -3.188 619 HB VAL 82 HB VAL 82 87.207 3.554 -5.803 620 1HG1 VAL 82 HG12 VAL 82 88.935 2.273 -3.692 621 2HG1 VAL 82 HG11 VAL 82 87.827 1.301 -4.658 622 3HG1 VAL 82 HG13 VAL 82 89.114 2.217 -5.444 623 1HG2 VAL 82 HG22 VAL 82 85.637 4.082 -3.855 624 2HG2 VAL 82 HG21 VAL 82 85.593 2.421 -4.445 625 3HG2 VAL 82 HG23 VAL 82 86.467 2.805 -2.965 626 H LEU 83 HN LEU 83 88.570 5.767 -6.517 627 HA LEU 83 HA LEU 83 91.210 4.783 -7.078 628 1HB LEU 83 2HB LEU 83 89.678 5.597 -8.844 629 2HB LEU 83 3HB LEU 83 89.804 7.229 -8.189 630 HG LEU 83 HG LEU 83 92.287 7.121 -8.552 631 1HD1 LEU 83 HD12 LEU 83 91.535 4.386 -9.304 632 2HD1 LEU 83 HD11 LEU 83 92.551 5.180 -10.505 633 3HD1 LEU 83 HD13 LEU 83 93.106 5.031 -8.842 634 1HD2 LEU 83 HD23 LEU 83 90.288 6.927 -10.783 635 2HD2 LEU 83 HD22 LEU 83 91.221 8.322 -10.244 636 3HD2 LEU 83 HD21 LEU 83 92.004 7.045 -11.173 637 H HIS 84 HN HIS 84 90.084 7.974 -5.920 638 HA HIS 84 HA HIS 84 92.681 9.142 -5.763 639 1HB HIS 84 2HB HIS 84 90.473 10.363 -5.633 640 2HB HIS 84 3HB HIS 84 90.319 9.774 -3.978 641 HD1 HIS 84 HD1 HIS 84 91.867 10.799 -2.187 642 HD2 HIS 84 HD2 HIS 84 92.565 12.293 -6.018 643 HE1 HIS 84 HE1 HIS 84 93.405 12.793 -1.909 644 H TYR 85 HN TYR 85 90.784 7.331 -3.383 645 HA TYR 85 HA TYR 85 92.502 7.727 -1.159 646 1HB TYR 85 2HB TYR 85 90.511 5.597 -1.890 647 2HB TYR 85 3HB TYR 85 91.467 5.469 -0.417 648 HD1 TYR 85 HD2 TYR 85 89.950 8.459 -2.122 649 HD2 TYR 85 HD1 TYR 85 90.083 5.970 1.380 650 HE1 TYR 85 HE2 TYR 85 88.403 10.005 -0.962 651 HE2 TYR 85 HE1 TYR 85 88.535 7.518 2.538 652 HH TYR 85 HH TYR 85 86.639 9.629 1.102 653 H GLN 86 HN GLN 86 92.787 5.447 -3.850 654 HA GLN 86 HA GLN 86 94.689 3.727 -2.534 655 1HB GLN 86 2HB GLN 86 95.011 2.724 -4.611 656 2HB GLN 86 3HB GLN 86 93.400 3.411 -4.809 657 1HG GLN 86 2HG GLN 86 94.636 5.498 -5.717 658 2HG GLN 86 3HG GLN 86 96.026 4.427 -5.880 659 1HE2 GLN 86 HE22 GLN 86 94.722 3.585 -9.062 660 2HE2 GLN 86 HE21 GLN 86 95.980 4.341 -8.211 661 H HIS 87 HN HIS 87 94.907 6.816 -4.167 662 HA HIS 87 HA HIS 87 97.822 6.782 -4.344 663 1HB HIS 87 2HB HIS 87 96.320 8.112 -5.882 664 2HB HIS 87 3HB HIS 87 95.985 9.183 -4.519 665 HD1 HIS 87 HD1 HIS 87 98.105 10.446 -3.472 666 HD2 HIS 87 HD2 HIS 87 98.794 8.562 -7.128 667 HE1 HIS 87 HE1 HIS 87 100.283 11.384 -4.366 668 H THR 88 HN THR 88 95.392 8.210 -2.155 669 HA THR 88 HA THR 88 97.450 9.543 -0.569 670 HB THR 88 HB THR 88 94.983 10.265 -0.834 671 HG1 THR 88 HG1 THR 88 96.594 10.209 1.414 672 1HG2 THR 88 HG22 THR 88 94.378 7.786 -0.004 673 2HG2 THR 88 HG21 THR 88 94.440 8.584 1.568 674 3HG2 THR 88 HG23 THR 88 93.328 9.163 0.327 675 H SER 89 HN SER 89 97.977 9.011 1.618 676 HA SER 89 HA SER 89 97.769 6.089 2.156 677 1HB SER 89 2HB SER 89 100.059 6.984 1.995 678 2HB SER 89 3HB SER 89 99.697 8.155 3.260 679 HG SER 89 HG SER 89 98.989 5.956 4.327 680 H LEU 90 HN LEU 90 96.680 5.406 3.916 681 HA LEU 90 HA LEU 90 95.011 7.250 5.366 682 1HB LEU 90 2HB LEU 90 95.626 4.310 5.755 683 2HB LEU 90 3HB LEU 90 94.417 5.187 6.695 684 HG LEU 90 HG LEU 90 93.322 4.083 4.814 685 1HD1 LEU 90 HD13 LEU 90 92.892 6.608 5.522 686 2HD1 LEU 90 HD12 LEU 90 93.454 6.911 3.876 687 3HD1 LEU 90 HD11 LEU 90 92.047 5.883 4.154 688 1HD2 LEU 90 HD23 LEU 90 95.577 4.248 3.461 689 2HD2 LEU 90 HD22 LEU 90 94.039 4.229 2.607 690 3HD2 LEU 90 HD21 LEU 90 94.876 5.757 2.873 691 H VAL 91 HN VAL 91 98.254 6.357 5.792 692 HA VAL 91 HA VAL 91 98.760 6.116 8.489 693 HB VAL 91 HB VAL 91 100.499 6.450 6.691 694 1HG1 VAL 91 HG11 VAL 91 99.289 8.612 5.910 695 2HG1 VAL 91 HG13 VAL 91 100.177 9.394 7.220 696 3HG1 VAL 91 HG12 VAL 91 101.053 8.595 5.912 697 1HG2 VAL 91 HG23 VAL 91 101.055 6.452 9.100 698 2HG2 VAL 91 HG22 VAL 91 102.085 7.572 8.208 699 3HG2 VAL 91 HG21 VAL 91 100.736 8.187 9.163 700 H GLN 92 HN GLN 92 97.892 9.148 6.829 701 HA GLN 92 HA GLN 92 98.190 11.057 8.748 702 1HB GLN 92 2HB GLN 92 97.054 11.427 6.560 703 2HB GLN 92 3HB GLN 92 95.604 10.673 7.222 704 1HG GLN 92 2HG GLN 92 95.493 12.378 8.984 705 2HG GLN 92 3HG GLN 92 96.962 13.132 8.359 706 1HE2 GLN 92 HE22 GLN 92 93.998 13.246 5.557 707 2HE2 GLN 92 HE21 GLN 92 94.537 11.758 6.176 708 H HIS 93 HN HIS 93 95.694 8.521 8.843 709 HA HIS 93 HA HIS 93 94.293 9.617 11.093 710 1HB HIS 93 2HB HIS 93 93.418 7.793 9.615 711 2HB HIS 93 3HB HIS 93 94.583 6.692 10.352 712 HD1 HIS 93 HD1 HIS 93 92.240 5.465 11.120 713 HD2 HIS 93 HD2 HIS 93 93.171 9.071 12.995 714 HE1 HIS 93 HE1 HIS 93 90.841 5.557 13.227 715 H ASN 94 HN ASN 94 94.994 9.779 13.167 716 HA ASN 94 HA ASN 94 96.492 9.591 14.982 717 1HB ASN 94 2HB ASN 94 96.114 6.683 14.213 718 2HB ASN 94 3HB ASN 94 96.770 7.245 15.751 719 1HD2 ASN 94 HD22 ASN 94 92.834 6.936 15.435 720 2HD2 ASN 94 HD21 ASN 94 93.956 6.129 14.450 721 H ASP 95 HN ASP 95 97.543 9.292 11.978 722 HA ASP 95 HA ASP 95 99.665 9.139 10.996 723 1HB ASP 95 2HB ASP 95 100.471 9.575 13.883 724 2HB ASP 95 3HB ASP 95 101.572 9.681 12.507 725 H SER 96 HN SER 96 98.474 6.585 11.523 726 HA SER 96 HA SER 96 100.959 5.027 11.773 727 1HB SER 96 2HB SER 96 98.598 4.450 13.574 728 2HB SER 96 3HB SER 96 100.085 3.512 13.481 729 HG SER 96 HG SER 96 99.642 6.102 14.487 730 H LEU 97 HN LEU 97 98.201 5.553 10.095 731 HA LEU 97 HA LEU 97 97.810 2.658 9.461 732 1HB LEU 97 2HB LEU 97 96.203 5.084 8.590 733 2HB LEU 97 3HB LEU 97 95.798 3.402 8.244 734 HG LEU 97 HG LEU 97 94.523 4.134 10.180 735 1HD1 LEU 97 HD12 LEU 97 95.797 1.832 10.081 736 2HD1 LEU 97 HD11 LEU 97 96.752 2.528 11.389 737 3HD1 LEU 97 HD13 LEU 97 95.011 2.329 11.578 738 1HD2 LEU 97 HD21 LEU 97 96.583 5.802 10.665 739 2HD2 LEU 97 HD23 LEU 97 95.395 5.375 11.897 740 3HD2 LEU 97 HD22 LEU 97 96.949 4.541 11.842 741 H ASN 98 HN ASN 98 100.062 2.882 8.537 742 HA ASN 98 HA ASN 98 100.350 4.428 6.085 743 1HB ASN 98 2HB ASN 98 102.203 3.943 7.710 744 2HB ASN 98 3HB ASN 98 102.146 2.257 7.194 745 1HD2 ASN 98 HD22 ASN 98 104.342 2.961 4.545 746 2HD2 ASN 98 HD21 ASN 98 103.872 1.912 5.794 747 H VAL 99 HN VAL 99 98.852 3.707 4.646 748 HA VAL 99 HA VAL 99 99.493 1.403 3.055 749 HB VAL 99 HB VAL 99 98.465 0.230 4.980 750 1HG1 VAL 99 HG12 VAL 99 97.112 2.191 5.730 751 2HG1 VAL 99 HG11 VAL 99 96.039 1.943 4.351 752 3HG1 VAL 99 HG13 VAL 99 96.151 0.716 5.611 753 1HG2 VAL 99 HG23 VAL 99 97.963 -0.295 2.432 754 2HG2 VAL 99 HG22 VAL 99 97.075 -1.138 3.700 755 3HG2 VAL 99 HG21 VAL 99 96.333 0.226 2.864 756 H THR 100 HN THR 100 97.309 1.053 1.572 757 HA THR 100 HA THR 100 95.695 3.464 1.313 758 HB THR 100 HB THR 100 97.773 4.211 0.213 759 HG1 THR 100 HG1 THR 100 96.122 5.170 -0.711 760 1HG2 THR 100 HG22 THR 100 98.187 1.713 -0.579 761 2HG2 THR 100 HG21 THR 100 97.305 2.267 -2.003 762 3HG2 THR 100 HG23 THR 100 98.795 3.074 -1.524 763 H LEU 101 HN LEU 101 94.235 3.285 -0.595 764 HA LEU 101 HA LEU 101 93.219 0.544 -0.712 765 1HB LEU 101 2HB LEU 101 92.314 3.056 -2.152 766 2HB LEU 101 3HB LEU 101 91.369 1.575 -1.951 767 HG LEU 101 HG LEU 101 92.256 3.526 0.187 768 1HD1 LEU 101 HD11 LEU 101 90.006 3.560 -1.270 769 2HD1 LEU 101 HD13 LEU 101 89.506 2.394 -0.045 770 3HD1 LEU 101 HD12 LEU 101 90.019 4.010 0.434 771 1HD2 LEU 101 HD23 LEU 101 91.379 0.658 0.408 772 2HD2 LEU 101 HD22 LEU 101 92.688 1.477 1.256 773 3HD2 LEU 101 HD21 LEU 101 91.009 1.793 1.699 774 H ALA 102 HN ALA 102 95.504 0.084 -1.708 775 HA ALA 102 HA ALA 102 95.685 0.673 -4.583 776 1HB ALA 102 HB2 ALA 102 97.475 -0.446 -2.489 777 2HB ALA 102 HB1 ALA 102 97.783 -0.925 -4.158 778 3HB ALA 102 HB3 ALA 102 97.802 0.783 -3.710 779 H TYR 103 HN TYR 103 94.776 -2.096 -2.556 780 HA TYR 103 HA TYR 103 94.576 -3.659 -5.099 781 1HB TYR 103 2HB TYR 103 95.190 -4.651 -2.310 782 2HB TYR 103 3HB TYR 103 94.905 -5.699 -3.700 783 HD1 TYR 103 HD1 TYR 103 96.471 -5.741 -5.591 784 HD2 TYR 103 HD2 TYR 103 97.225 -3.346 -2.106 785 HE1 TYR 103 HE1 TYR 103 98.830 -5.457 -6.299 786 HE2 TYR 103 HE2 TYR 103 99.588 -3.064 -2.810 787 HH TYR 103 HH TYR 103 100.852 -4.721 -5.692 788 HA PRO 104 HA PRO 104 90.215 -3.883 -4.098 789 1HB PRO 104 2HB PRO 104 89.519 -5.702 -6.000 790 2HB PRO 104 3HB PRO 104 89.864 -4.004 -6.380 791 1HG PRO 104 2HG PRO 104 91.586 -6.406 -6.704 792 2HG PRO 104 3HG PRO 104 91.384 -5.007 -7.771 793 1HD PRO 104 2HD PRO 104 93.516 -5.303 -6.081 794 2HD PRO 104 3HD PRO 104 92.892 -3.719 -6.593 795 H VAL 105 HN VAL 105 88.858 -5.355 -2.984 796 HA VAL 105 HA VAL 105 90.172 -7.585 -1.678 797 HB VAL 105 HB VAL 105 88.339 -6.109 -0.732 798 1HG1 VAL 105 HG13 VAL 105 86.984 -6.929 -3.014 799 2HG1 VAL 105 HG12 VAL 105 86.243 -7.883 -1.730 800 3HG1 VAL 105 HG11 VAL 105 86.259 -6.125 -1.620 801 1HG2 VAL 105 HG21 VAL 105 88.649 -9.026 -0.524 802 2HG2 VAL 105 HG23 VAL 105 88.546 -7.813 0.753 803 3HG2 VAL 105 HG22 VAL 105 87.074 -8.445 0.015 804 H TYR 106 HN TYR 106 88.419 -7.168 -4.603 805 HA TYR 106 HA TYR 106 88.392 -10.124 -5.008 806 1HB TYR 106 2HB TYR 106 86.222 -8.120 -5.577 807 2HB TYR 106 3HB TYR 106 86.322 -9.626 -6.487 808 HD1 TYR 106 HD1 TYR 106 86.621 -11.806 -5.023 809 HD2 TYR 106 HD2 TYR 106 85.042 -8.080 -3.572 810 HE1 TYR 106 HE1 TYR 106 85.509 -13.004 -3.158 811 HE2 TYR 106 HE2 TYR 106 83.928 -9.277 -1.710 812 HH TYR 106 HH TYR 106 83.685 -12.711 -1.623 813 H ALA 107 HN ALA 107 90.569 -9.165 -5.954 814 HA ALA 107 HA ALA 107 90.526 -7.664 -8.380 815 1HB ALA 107 HB3 ALA 107 92.500 -8.823 -6.799 816 2HB ALA 107 HB2 ALA 107 92.621 -9.701 -8.324 817 3HB ALA 107 HB1 ALA 107 92.768 -7.944 -8.303 818 H GLN 108 HN GLN 108 90.427 -8.291 -10.541 819 HA GLN 108 HA GLN 108 88.759 -10.468 -11.254 820 1HB GLN 108 2HB GLN 108 89.196 -8.467 -12.684 821 2HB GLN 108 3HB GLN 108 90.811 -9.093 -13.013 822 1HG GLN 108 2HG GLN 108 89.732 -11.198 -13.891 823 2HG GLN 108 3HG GLN 108 88.170 -10.392 -13.729 824 1HE2 GLN 108 HE22 GLN 108 88.798 -9.429 -17.116 825 2HE2 GLN 108 HE21 GLN 108 87.970 -10.541 -16.137 826 H GLN 109 HN GLN 109 89.171 -12.582 -11.787 827 HA GLN 109 HA GLN 109 91.753 -13.720 -11.078 828 1HB GLN 109 2HB GLN 109 89.329 -14.953 -12.433 829 2HB GLN 109 3HB GLN 109 90.714 -15.859 -11.822 830 1HG GLN 109 2HG GLN 109 90.271 -14.957 -9.550 831 2HG GLN 109 3HG GLN 109 88.848 -14.125 -10.177 832 1HE2 GLN 109 HE22 GLN 109 88.722 -18.242 -10.022 833 2HE2 GLN 109 HE21 GLN 109 90.213 -17.478 -10.289 834 H ARG 110 HN ARG 110 93.226 -14.761 -12.570 835 HA ARG 110 HA ARG 110 92.854 -13.899 -15.413 836 1HB ARG 110 2HB ARG 110 95.427 -14.117 -13.816 837 2HB ARG 110 3HB ARG 110 95.340 -13.751 -15.541 838 1HG ARG 110 2HG ARG 110 93.846 -11.789 -14.954 839 2HG ARG 110 3HG ARG 110 94.225 -12.095 -13.260 840 1HD ARG 110 2HD ARG 110 95.728 -10.374 -14.126 841 2HD ARG 110 3HD ARG 110 96.649 -11.839 -13.792 842 HE ARG 110 HE ARG 110 95.943 -12.090 -16.462 843 1HH1 ARG 110 HH21 ARG 110 97.451 -9.694 -14.496 844 2HH1 ARG 110 HH22 ARG 110 98.473 -9.103 -15.763 845 1HH2 ARG 110 HH11 ARG 110 97.271 -11.333 -18.131 846 2HH2 ARG 110 HH12 ARG 110 98.377 -10.037 -17.819 847 H ARG 111 HN ARG 111 93.556 -15.413 -17.010 848 HA ARG 111 HA ARG 111 93.530 -17.635 -17.822 849 1HB ARG 111 2HB ARG 111 95.932 -17.246 -17.270 850 2HB ARG 111 3HB ARG 111 95.644 -17.914 -15.662 851 1HG ARG 111 2HG ARG 111 96.364 -19.816 -16.778 852 2HG ARG 111 3HG ARG 111 94.624 -19.935 -17.044 853 1HD ARG 111 2HD ARG 111 95.197 -18.429 -19.158 854 2HD ARG 111 3HD ARG 111 96.789 -19.164 -18.972 855 HE ARG 111 HE ARG 111 94.530 -20.428 -20.139 856 1HH1 ARG 111 HH21 ARG 111 96.881 -21.020 -17.685 857 2HH1 ARG 111 HH22 ARG 111 96.660 -22.735 -17.705 858 1HH2 ARG 111 HH11 ARG 111 94.242 -22.663 -20.188 859 2HH2 ARG 111 HH12 ARG 111 95.170 -23.667 -19.125 No H/Q in entry = 859 Start of MODEL 5 1 1H GLU 1 HT3 GLU 1 97.074 0.147 -19.625 2 2H GLU 1 HT2 GLU 1 98.516 0.965 -19.249 3 3H GLU 1 HT1 GLU 1 98.568 -0.609 -19.887 4 HA GLU 1 HA GLU 1 97.881 -1.601 -17.936 5 1HB GLU 1 2HB GLU 1 99.485 0.871 -17.213 6 2HB GLU 1 3HB GLU 1 99.231 -0.492 -16.124 7 1HG GLU 1 2HG GLU 1 100.201 -1.992 -17.907 8 2HG GLU 1 3HG GLU 1 100.622 -0.542 -18.813 9 H ASP 2 HN ASP 2 95.534 -1.189 -17.959 10 HA ASP 2 HA ASP 2 94.480 1.195 -16.687 11 1HB ASP 2 2HB ASP 2 92.315 0.077 -16.854 12 2HB ASP 2 3HB ASP 2 93.205 -0.139 -18.363 13 H LEU 3 HN LEU 3 93.136 1.084 -14.688 14 HA LEU 3 HA LEU 3 94.498 -0.616 -12.666 15 1HB LEU 3 2HB LEU 3 92.933 1.958 -12.482 16 2HB LEU 3 3HB LEU 3 93.384 1.021 -11.054 17 HG LEU 3 HG LEU 3 95.772 1.055 -12.048 18 1HD1 LEU 3 HD12 LEU 3 94.339 3.145 -13.687 19 2HD1 LEU 3 HD11 LEU 3 96.073 3.261 -13.371 20 3HD1 LEU 3 HD13 LEU 3 95.427 1.864 -14.234 21 1HD2 LEU 3 HD23 LEU 3 94.474 3.592 -11.009 22 2HD2 LEU 3 HD22 LEU 3 95.111 2.274 -10.024 23 3HD2 LEU 3 HD21 LEU 3 96.206 3.256 -10.997 24 HA PRO 4 HA PRO 4 90.910 -3.103 -12.120 25 1HB PRO 4 2HB PRO 4 91.183 -3.718 -9.451 26 2HB PRO 4 3HB PRO 4 92.134 -4.473 -10.744 27 1HG PRO 4 2HG PRO 4 92.886 -2.269 -8.890 28 2HG PRO 4 3HG PRO 4 93.855 -3.631 -9.480 29 1HD PRO 4 2HD PRO 4 94.107 -1.127 -10.509 30 2HD PRO 4 3HD PRO 4 94.350 -2.585 -11.493 31 H HIS 5 HN HIS 5 91.256 -0.053 -10.785 32 HA HIS 5 HA HIS 5 89.041 0.052 -8.953 33 1HB HIS 5 2HB HIS 5 90.323 2.214 -10.648 34 2HB HIS 5 3HB HIS 5 89.112 2.521 -9.401 35 HD1 HIS 5 HD1 HIS 5 89.941 0.820 -7.119 36 HD2 HIS 5 HD2 HIS 5 92.753 2.786 -9.484 37 HE1 HIS 5 HE1 HIS 5 92.050 0.986 -5.729 38 H HIS 6 HN HIS 6 89.317 0.296 -12.452 39 HA HIS 6 HA HIS 6 86.720 1.368 -12.955 40 1HB HIS 6 2HB HIS 6 88.385 -0.542 -14.628 41 2HB HIS 6 3HB HIS 6 86.959 0.319 -15.203 42 HD1 HIS 6 HD1 HIS 6 87.239 3.107 -14.448 43 HD2 HIS 6 HD2 HIS 6 90.628 0.864 -15.394 44 HE1 HIS 6 HE1 HIS 6 89.052 4.769 -15.053 45 H ASP 7 HN ASP 7 87.744 -1.697 -11.768 46 HA ASP 7 HA ASP 7 85.186 -2.993 -12.491 47 1HB ASP 7 2HB ASP 7 87.716 -4.027 -11.195 48 2HB ASP 7 3HB ASP 7 86.270 -5.016 -11.436 49 H GLU 8 HN GLU 8 83.547 -2.508 -11.112 50 HA GLU 8 HA GLU 8 83.910 -1.683 -8.378 51 1HB GLU 8 2HB GLU 8 81.960 -1.092 -9.853 52 2HB GLU 8 3HB GLU 8 81.409 -2.758 -9.696 53 1HG GLU 8 2HG GLU 8 81.421 -2.454 -7.208 54 2HG GLU 8 3HG GLU 8 81.765 -0.746 -7.472 55 H LYS 9 HN LYS 9 83.338 -4.739 -9.951 56 HA LYS 9 HA LYS 9 82.546 -6.212 -7.614 57 1HB LYS 9 2HB LYS 9 82.921 -8.175 -9.023 58 2HB LYS 9 3HB LYS 9 82.176 -6.907 -10.003 59 1HG LYS 9 2HG LYS 9 84.762 -6.244 -10.349 60 2HG LYS 9 3HG LYS 9 84.958 -7.972 -10.081 61 1HD LYS 9 2HD LYS 9 83.887 -8.534 -12.049 62 2HD LYS 9 3HD LYS 9 82.849 -7.108 -12.023 63 1HE LYS 9 2HE LYS 9 84.632 -5.683 -12.754 64 2HE LYS 9 3HE LYS 9 85.840 -6.939 -12.478 65 1HZ LYS 9 HZ2 LYS 9 83.655 -7.050 -14.492 66 2HZ LYS 9 HZ1 LYS 9 85.292 -6.741 -14.823 67 3HZ LYS 9 HZ3 LYS 9 84.822 -8.257 -14.228 68 H THR 10 HN THR 10 85.596 -4.938 -8.521 69 HA THR 10 HA THR 10 87.125 -7.087 -7.236 70 HB THR 10 HB THR 10 89.091 -5.626 -7.736 71 HG1 THR 10 HG1 THR 10 88.798 -3.702 -8.618 72 1HG2 THR 10 HG23 THR 10 87.106 -6.354 -9.882 73 2HG2 THR 10 HG22 THR 10 88.706 -5.727 -10.274 74 3HG2 THR 10 HG21 THR 10 88.545 -7.240 -9.379 75 H TRP 11 HN TRP 11 85.763 -4.037 -6.171 76 HA TRP 11 HA TRP 11 87.231 -4.466 -3.593 77 1HB TRP 11 2HB TRP 11 86.476 -1.835 -3.463 78 2HB TRP 11 3HB TRP 11 88.074 -2.389 -3.969 79 HD1 TRP 11 HD1 TRP 11 88.194 -3.007 -6.699 80 HE1 TRP 11 HE1 TRP 11 87.245 -1.654 -8.676 81 HE3 TRP 11 HE3 TRP 11 84.809 -0.145 -4.201 82 HZ2 TRP 11 HZ2 TRP 11 85.291 0.429 -9.116 83 HZ3 TRP 11 HZ3 TRP 11 83.425 1.513 -5.400 84 HH2 TRP 11 HH2 TRP 11 83.664 1.811 -7.854 85 H ASN 12 HN ASN 12 84.175 -3.819 -5.172 86 HA ASN 12 HA ASN 12 82.805 -3.326 -2.647 87 1HB ASN 12 2HB ASN 12 80.867 -2.987 -3.897 88 2HB ASN 12 3HB ASN 12 82.133 -2.476 -5.009 89 1HD2 ASN 12 HD22 ASN 12 79.847 -4.748 -6.876 90 2HD2 ASN 12 HD21 ASN 12 79.700 -3.245 -6.097 91 H VAL 13 HN VAL 13 81.567 -4.746 -1.484 92 HA VAL 13 HA VAL 13 81.824 -7.613 -2.298 93 HB VAL 13 HB VAL 13 82.953 -6.911 -0.145 94 1HG1 VAL 13 HG13 VAL 13 81.102 -5.237 0.369 95 2HG1 VAL 13 HG12 VAL 13 80.128 -6.615 0.876 96 3HG1 VAL 13 HG11 VAL 13 81.628 -6.241 1.718 97 1HG2 VAL 13 HG23 VAL 13 81.109 -9.096 -0.606 98 2HG2 VAL 13 HG22 VAL 13 82.621 -9.097 0.298 99 3HG2 VAL 13 HG21 VAL 13 81.115 -8.657 1.103 100 H GLY 14 HN GLY 14 79.733 -4.985 -1.694 101 1HA GLY 14 2HA GLY 14 77.415 -4.833 -2.092 102 2HA GLY 14 3HA GLY 14 77.394 -6.563 -2.435 103 H SER 15 HN SER 15 75.369 -6.469 -1.104 104 HA SER 15 HA SER 15 75.370 -5.791 1.654 105 1HB SER 15 2HB SER 15 73.360 -7.082 1.827 106 2HB SER 15 3HB SER 15 73.361 -6.422 0.196 107 HG SER 15 HG SER 15 73.647 -8.367 -0.598 108 H SER 16 HN SER 16 76.208 -6.853 3.431 109 HA SER 16 HA SER 16 76.696 -9.694 3.523 110 1HB SER 16 2HB SER 16 78.540 -9.061 1.985 111 2HB SER 16 3HB SER 16 79.142 -7.924 3.184 112 HG SER 16 HG SER 16 80.105 -10.103 3.148 113 H ASN 17 HN ASN 17 77.537 -10.327 5.647 114 HA ASN 17 HA ASN 17 76.868 -8.396 7.719 115 1HB ASN 17 2HB ASN 17 77.995 -11.203 7.823 116 2HB ASN 17 3HB ASN 17 77.641 -10.248 9.266 117 1HD2 ASN 17 HD22 ASN 17 74.600 -12.254 8.520 118 2HD2 ASN 17 HD21 ASN 17 76.199 -12.588 8.974 119 H ARG 18 HN ARG 18 78.311 -7.379 9.146 120 HA ARG 18 HA ARG 18 80.850 -6.631 8.120 121 1HB ARG 18 2HB ARG 18 79.660 -6.450 10.891 122 2HB ARG 18 3HB ARG 18 81.238 -5.777 10.485 123 1HG ARG 18 2HG ARG 18 80.190 -4.432 8.682 124 2HG ARG 18 3HG ARG 18 78.611 -5.071 9.142 125 1HD ARG 18 2HD ARG 18 80.436 -3.565 11.032 126 2HD ARG 18 3HD ARG 18 79.121 -2.815 10.130 127 HE ARG 18 HE ARG 18 77.932 -4.959 11.455 128 1HH1 ARG 18 HH21 ARG 18 79.811 -2.185 12.282 129 2HH1 ARG 18 HH22 ARG 18 79.131 -2.034 13.867 130 1HH2 ARG 18 HH11 ARG 18 77.017 -4.753 13.514 131 2HH2 ARG 18 HH12 ARG 18 77.552 -3.480 14.561 132 H ASN 19 HN ASN 19 79.991 -9.158 10.502 133 HA ASN 19 HA ASN 19 82.643 -9.804 11.310 134 1HB ASN 19 2HB ASN 19 80.527 -10.716 12.337 135 2HB ASN 19 3HB ASN 19 80.362 -11.776 10.935 136 1HD2 ASN 19 HD22 ASN 19 83.910 -12.680 12.656 137 2HD2 ASN 19 HD21 ASN 19 83.667 -11.225 11.814 138 H LYS 20 HN LYS 20 80.764 -10.850 8.485 139 HA LYS 20 HA LYS 20 82.582 -12.798 7.480 140 1HB LYS 20 2HB LYS 20 80.293 -12.359 6.558 141 2HB LYS 20 3HB LYS 20 80.889 -10.849 5.876 142 1HG LYS 20 2HG LYS 20 81.089 -12.334 4.068 143 2HG LYS 20 3HG LYS 20 82.711 -12.329 4.757 144 1HD LYS 20 2HD LYS 20 82.558 -14.484 5.501 145 2HD LYS 20 3HD LYS 20 80.846 -14.339 5.893 146 1HE LYS 20 2HE LYS 20 81.853 -14.420 3.038 147 2HE LYS 20 3HE LYS 20 81.421 -15.879 3.930 148 1HZ LYS 20 HZ1 LYS 20 79.618 -13.569 3.424 149 2HZ LYS 20 HZ3 LYS 20 79.572 -15.055 2.610 150 3HZ LYS 20 HZ2 LYS 20 79.205 -14.985 4.266 151 H ALA 21 HN ALA 21 82.566 -9.277 7.313 152 HA ALA 21 HA ALA 21 84.637 -8.988 5.371 153 1HB ALA 21 HB1 ALA 21 83.042 -7.266 6.802 154 2HB ALA 21 HB3 ALA 21 84.622 -6.998 7.541 155 3HB ALA 21 HB2 ALA 21 84.410 -6.771 5.804 156 H GLU 22 HN GLU 22 84.689 -9.519 8.870 157 HA GLU 22 HA GLU 22 87.425 -9.034 9.370 158 1HB GLU 22 2HB GLU 22 85.802 -9.468 11.154 159 2HB GLU 22 3HB GLU 22 85.604 -11.128 10.598 160 1HG GLU 22 2HG GLU 22 87.934 -11.616 11.120 161 2HG GLU 22 3HG GLU 22 88.225 -9.936 11.559 162 H ASN 23 HN ASN 23 85.850 -12.108 8.399 163 HA ASN 23 HA ASN 23 88.270 -13.603 8.169 164 1HB ASN 23 2HB ASN 23 85.957 -14.582 8.112 165 2HB ASN 23 3HB ASN 23 85.760 -13.905 6.497 166 1HD2 ASN 23 HD22 ASN 23 87.174 -16.804 5.127 167 2HD2 ASN 23 HD21 ASN 23 85.924 -15.660 5.101 168 H LEU 24 HN LEU 24 86.451 -11.633 5.830 169 HA LEU 24 HA LEU 24 88.253 -12.063 3.625 170 1HB LEU 24 2HB LEU 24 86.268 -9.856 4.237 171 2HB LEU 24 3HB LEU 24 87.160 -9.960 2.721 172 HG LEU 24 HG LEU 24 85.450 -12.211 3.811 173 1HD1 LEU 24 HD12 LEU 24 84.755 -9.773 2.288 174 2HD1 LEU 24 HD11 LEU 24 84.148 -11.280 1.598 175 3HD1 LEU 24 HD13 LEU 24 83.724 -10.833 3.250 176 1HD2 LEU 24 HD21 LEU 24 87.074 -11.707 1.342 177 2HD2 LEU 24 HD23 LEU 24 86.892 -13.188 2.279 178 3HD2 LEU 24 HD22 LEU 24 85.604 -12.668 1.193 179 H LEU 25 HN LEU 25 88.215 -9.848 6.361 180 HA LEU 25 HA LEU 25 90.511 -8.328 5.256 181 1HB LEU 25 2HB LEU 25 88.880 -8.033 7.795 182 2HB LEU 25 3HB LEU 25 90.272 -7.025 7.404 183 HG LEU 25 HG LEU 25 88.196 -7.294 5.291 184 1HD1 LEU 25 HD11 LEU 25 86.988 -6.970 7.537 185 2HD1 LEU 25 HD13 LEU 25 87.783 -5.402 7.613 186 3HD1 LEU 25 HD12 LEU 25 86.673 -5.761 6.300 187 1HD2 LEU 25 HD22 LEU 25 89.939 -5.071 6.405 188 2HD2 LEU 25 HD21 LEU 25 90.149 -5.928 4.876 189 3HD2 LEU 25 HD23 LEU 25 88.779 -4.840 5.094 190 H ARG 26 HN ARG 26 90.013 -11.135 6.997 191 HA ARG 26 HA ARG 26 92.528 -10.840 8.553 192 1HB ARG 26 2HB ARG 26 90.139 -12.659 8.724 193 2HB ARG 26 3HB ARG 26 91.678 -13.170 9.436 194 1HG ARG 26 2HG ARG 26 91.690 -10.845 10.561 195 2HG ARG 26 3HG ARG 26 89.984 -10.766 10.136 196 1HD ARG 26 2HD ARG 26 89.733 -13.029 11.260 197 2HD ARG 26 3HD ARG 26 91.360 -12.818 11.895 198 HE ARG 26 HE ARG 26 88.988 -11.686 12.995 199 1HH1 ARG 26 HH21 ARG 26 92.173 -10.693 12.065 200 2HH1 ARG 26 HH22 ARG 26 92.137 -9.257 13.032 201 1HH2 ARG 26 HH11 ARG 26 88.950 -9.846 14.262 202 2HH2 ARG 26 HH12 ARG 26 90.317 -8.783 14.280 203 H GLY 27 HN GLY 27 94.343 -12.048 8.047 204 1HA GLY 27 2HA GLY 27 95.603 -13.777 6.978 205 2HA GLY 27 3HA GLY 27 94.145 -14.264 6.114 206 H LYS 28 HN LYS 28 94.205 -11.011 5.776 207 HA LYS 28 HA LYS 28 95.527 -11.231 3.130 208 1HB LYS 28 2HB LYS 28 93.592 -9.147 4.187 209 2HB LYS 28 3HB LYS 28 94.200 -9.262 2.531 210 1HG LYS 28 2HG LYS 28 93.257 -11.831 3.092 211 2HG LYS 28 3HG LYS 28 92.054 -10.760 3.810 212 1HD LYS 28 2HD LYS 28 91.324 -11.018 1.581 213 2HD LYS 28 3HD LYS 28 92.161 -9.466 1.581 214 1HE LYS 28 2HE LYS 28 94.147 -10.452 0.641 215 2HE LYS 28 3HE LYS 28 93.497 -12.079 0.837 216 1HZ LYS 28 HZ3 LYS 28 91.684 -10.478 -0.612 217 2HZ LYS 28 HZ2 LYS 28 93.214 -10.398 -1.349 218 3HZ LYS 28 HZ1 LYS 28 92.464 -11.904 -1.094 219 H ARG 29 HN ARG 29 97.064 -9.722 2.501 220 HA ARG 29 HA ARG 29 98.707 -8.625 4.618 221 1HB ARG 29 2HB ARG 29 98.848 -8.343 1.610 222 2HB ARG 29 3HB ARG 29 100.084 -7.755 2.721 223 1HG ARG 29 2HG ARG 29 100.298 -10.078 3.630 224 2HG ARG 29 3HG ARG 29 99.181 -10.624 2.374 225 1HD ARG 29 2HD ARG 29 101.050 -9.111 0.982 226 2HD ARG 29 3HD ARG 29 102.021 -9.974 2.172 227 HE ARG 29 HE ARG 29 101.071 -11.149 -0.167 228 1HH1 ARG 29 HH21 ARG 29 100.550 -11.647 3.220 229 2HH1 ARG 29 HH22 ARG 29 100.233 -13.342 3.048 230 1HH2 ARG 29 HH11 ARG 29 100.649 -13.342 -0.392 231 2HH2 ARG 29 HH12 ARG 29 100.297 -14.298 1.011 232 H ASP 30 HN ASP 30 99.379 -6.332 4.697 233 HA ASP 30 HA ASP 30 97.181 -4.545 4.932 234 1HB ASP 30 2HB ASP 30 99.389 -4.260 6.066 235 2HB ASP 30 3HB ASP 30 100.093 -3.825 4.510 236 H GLY 31 HN GLY 31 96.374 -2.960 3.546 237 1HA GLY 31 2HA GLY 31 96.602 -1.553 1.523 238 2HA GLY 31 3HA GLY 31 97.591 -2.830 0.810 239 H THR 32 HN THR 32 95.666 -4.892 1.908 240 HA THR 32 HA THR 32 93.883 -4.896 -0.412 241 HB THR 32 HB THR 32 93.939 -6.754 1.983 242 HG1 THR 32 HG1 THR 32 95.901 -6.880 0.992 243 1HG2 THR 32 HG22 THR 32 92.428 -6.622 -0.563 244 2HG2 THR 32 HG21 THR 32 93.077 -8.214 -0.145 245 3HG2 THR 32 HG23 THR 32 91.989 -7.379 0.971 246 H PHE 33 HN PHE 33 91.904 -3.876 -0.415 247 HA PHE 33 HA PHE 33 90.512 -3.675 2.208 248 1HB PHE 33 2HB PHE 33 90.396 -1.419 2.180 249 2HB PHE 33 3HB PHE 33 91.733 -1.511 1.037 250 HD1 PHE 33 HD1 PHE 33 91.108 -1.693 -1.505 251 HD2 PHE 33 HD2 PHE 33 88.361 -0.510 1.572 252 HE1 PHE 33 HE1 PHE 33 89.632 -0.639 -3.199 253 HE2 PHE 33 HE2 PHE 33 86.910 0.532 -0.151 254 HZ PHE 33 HZ PHE 33 87.538 0.461 -2.507 255 H LEU 34 HN LEU 34 88.172 -2.873 1.825 256 HA LEU 34 HA LEU 34 87.037 -3.795 -0.746 257 1HB LEU 34 2HB LEU 34 85.562 -5.417 0.269 258 2HB LEU 34 3HB LEU 34 87.207 -5.806 0.747 259 HG LEU 34 HG LEU 34 86.168 -3.950 2.659 260 1HD1 LEU 34 HD12 LEU 34 83.953 -4.808 1.762 261 2HD1 LEU 34 HD11 LEU 34 84.430 -6.411 2.325 262 3HD1 LEU 34 HD13 LEU 34 84.216 -5.096 3.481 263 1HD2 LEU 34 HD21 LEU 34 86.866 -6.898 2.719 264 2HD2 LEU 34 HD23 LEU 34 87.906 -5.547 3.167 265 3HD2 LEU 34 HD22 LEU 34 86.508 -5.956 4.162 266 H VAL 35 HN VAL 35 84.724 -3.206 -0.921 267 HA VAL 35 HA VAL 35 84.080 -0.948 0.900 268 HB VAL 35 HB VAL 35 83.342 -1.423 -1.988 269 1HG1 VAL 35 HG13 VAL 35 82.051 0.264 0.093 270 2HG1 VAL 35 HG12 VAL 35 82.297 0.994 -1.495 271 3HG1 VAL 35 HG11 VAL 35 81.347 -0.486 -1.340 272 1HG2 VAL 35 HG21 VAL 35 84.811 0.767 -0.526 273 2HG2 VAL 35 HG23 VAL 35 85.517 -0.390 -1.650 274 3HG2 VAL 35 HG22 VAL 35 84.386 0.832 -2.229 275 H ARG 36 HN ARG 36 82.328 -1.195 2.203 276 HA ARG 36 HA ARG 36 80.171 -3.065 1.379 277 1HB ARG 36 2HB ARG 36 80.197 -4.213 3.545 278 2HB ARG 36 3HB ARG 36 81.781 -4.383 2.783 279 1HG ARG 36 2HG ARG 36 82.599 -2.449 4.095 280 2HG ARG 36 3HG ARG 36 81.033 -2.353 4.903 281 1HD ARG 36 2HD ARG 36 81.746 -5.027 5.177 282 2HD ARG 36 3HD ARG 36 83.273 -4.171 5.397 283 HE ARG 36 HE ARG 36 81.345 -4.373 7.394 284 1HH1 ARG 36 HH21 ARG 36 82.739 -1.802 5.562 285 2HH1 ARG 36 HH22 ARG 36 82.516 -0.621 6.806 286 1HH2 ARG 36 HH11 ARG 36 81.057 -2.840 9.026 287 2HH2 ARG 36 HH12 ARG 36 81.584 -1.211 8.769 288 H GLU 37 HN GLU 37 78.498 -2.924 3.485 289 HA GLU 37 HA GLU 37 78.158 0.008 3.837 290 1HB GLU 37 2HB GLU 37 76.165 -2.259 4.122 291 2HB GLU 37 3HB GLU 37 75.788 -0.546 4.327 292 1HG GLU 37 2HG GLU 37 76.480 -0.111 2.007 293 2HG GLU 37 3HG GLU 37 76.879 -1.816 1.801 294 H SER 38 HN SER 38 77.097 0.559 6.050 295 HA SER 38 HA SER 38 78.796 -0.638 8.119 296 1HB SER 38 2HB SER 38 77.683 0.887 9.660 297 2HB SER 38 3HB SER 38 78.090 1.774 8.197 298 HG SER 38 HG SER 38 75.950 2.175 8.840 299 H SER 39 HN SER 39 76.565 -1.820 6.429 300 HA SER 39 HA SER 39 75.552 -3.946 6.793 301 1HB SER 39 2HB SER 39 75.037 -4.742 8.948 302 2HB SER 39 3HB SER 39 76.486 -3.784 9.223 303 HG SER 39 HG SER 39 74.868 -3.261 10.725 304 H LYS 40 HN LYS 40 74.556 -0.763 7.481 305 HA LYS 40 HA LYS 40 71.666 -1.352 7.401 306 1HB LYS 40 2HB LYS 40 72.663 0.503 8.806 307 2HB LYS 40 3HB LYS 40 73.084 1.327 7.306 308 1HG LYS 40 2HG LYS 40 70.723 1.418 6.660 309 2HG LYS 40 3HG LYS 40 70.271 0.517 8.106 310 1HD LYS 40 2HD LYS 40 71.117 2.316 9.531 311 2HD LYS 40 3HD LYS 40 71.671 3.209 8.117 312 1HE LYS 40 2HE LYS 40 69.345 3.377 7.311 313 2HE LYS 40 3HE LYS 40 68.792 2.483 8.727 314 1HZ LYS 40 HZ3 LYS 40 70.246 5.070 8.797 315 2HZ LYS 40 HZ2 LYS 40 68.570 4.889 9.002 316 3HZ LYS 40 HZ1 LYS 40 69.645 4.227 10.137 317 H GLN 41 HN GLN 41 70.391 -0.984 5.551 318 HA GLN 41 HA GLN 41 71.658 -1.167 3.006 319 1HB GLN 41 2HB GLN 41 69.279 -1.798 3.443 320 2HB GLN 41 3HB GLN 41 68.884 -0.084 3.583 321 1HG GLN 41 2HG GLN 41 68.378 -0.663 1.323 322 2HG GLN 41 3HG GLN 41 69.919 0.193 1.260 323 1HE2 GLN 41 HE22 GLN 41 70.329 -2.904 -0.761 324 2HE2 GLN 41 HE21 GLN 41 69.371 -1.508 -0.860 325 H GLY 42 HN GLY 42 70.531 1.659 4.843 326 1HA GLY 42 2HA GLY 42 71.287 3.411 2.586 327 2HA GLY 42 3HA GLY 42 70.473 3.931 4.059 328 H CYS 43 HN CYS 43 73.447 1.985 4.055 329 HA CYS 43 HA CYS 43 74.977 4.425 4.835 330 1HB CYS 43 2HB CYS 43 74.209 3.261 6.912 331 2HB CYS 43 3HB CYS 43 75.076 1.816 6.384 332 HG CYS 43 HG CYS 43 76.465 4.509 7.163 333 H TYR 44 HN TYR 44 77.251 4.274 4.385 334 HA TYR 44 HA TYR 44 78.054 1.858 2.818 335 1HB TYR 44 2HB TYR 44 78.594 4.780 2.212 336 2HB TYR 44 3HB TYR 44 79.347 3.434 1.350 337 HD1 TYR 44 HD1 TYR 44 78.032 1.963 -0.093 338 HD2 TYR 44 HD2 TYR 44 76.203 5.265 1.958 339 HE1 TYR 44 HE1 TYR 44 76.018 1.735 -1.523 340 HE2 TYR 44 HE2 TYR 44 74.188 5.038 0.528 341 HH TYR 44 HH TYR 44 74.051 3.631 -2.240 342 H ALA 45 HN ALA 45 80.223 1.133 3.190 343 HA ALA 45 HA ALA 45 82.060 2.830 4.708 344 1HB ALA 45 HB2 ALA 45 80.852 0.355 5.976 345 2HB ALA 45 HB1 ALA 45 82.230 1.246 6.622 346 3HB ALA 45 HB3 ALA 45 80.647 2.019 6.527 347 H CYS 46 HN CYS 46 84.134 2.251 4.222 348 HA CYS 46 HA CYS 46 84.488 -0.347 2.825 349 1HB CYS 46 2HB CYS 46 86.587 0.691 1.918 350 2HB CYS 46 3HB CYS 46 85.122 1.527 1.427 351 HG CYS 46 HG CYS 46 86.127 3.546 2.417 352 H SER 47 HN SER 47 85.840 -1.840 3.629 353 HA SER 47 HA SER 47 87.164 -1.193 6.220 354 1HB SER 47 2HB SER 47 86.442 -3.875 5.001 355 2HB SER 47 3HB SER 47 87.172 -3.625 6.586 356 HG SER 47 HG SER 47 85.331 -2.590 7.259 357 H VAL 48 HN VAL 48 89.387 -1.427 6.416 358 HA VAL 48 HA VAL 48 90.850 -2.498 4.037 359 HB VAL 48 HB VAL 48 91.748 -0.148 5.710 360 1HG1 VAL 48 HG12 VAL 48 92.634 -1.456 3.166 361 2HG1 VAL 48 HG11 VAL 48 93.035 0.228 3.493 362 3HG1 VAL 48 HG13 VAL 48 93.584 -1.038 4.589 363 1HG2 VAL 48 HG21 VAL 48 89.582 -0.165 3.881 364 2HG2 VAL 48 HG23 VAL 48 90.364 1.239 4.602 365 3HG2 VAL 48 HG22 VAL 48 90.927 0.607 3.053 366 H VAL 49 HN VAL 49 92.928 -3.420 4.571 367 HA VAL 49 HA VAL 49 93.209 -4.222 7.434 368 HB VAL 49 HB VAL 49 94.589 -5.314 4.978 369 1HG1 VAL 49 HG12 VAL 49 94.528 -6.219 7.869 370 2HG1 VAL 49 HG11 VAL 49 95.199 -7.170 6.545 371 3HG1 VAL 49 HG13 VAL 49 95.929 -5.624 6.975 372 1HG2 VAL 49 HG23 VAL 49 92.152 -6.188 6.519 373 2HG2 VAL 49 HG22 VAL 49 92.329 -5.971 4.777 374 3HG2 VAL 49 HG21 VAL 49 93.101 -7.340 5.579 375 H VAL 50 HN VAL 50 94.754 -3.075 8.581 376 HA VAL 50 HA VAL 50 97.269 -2.374 7.249 377 HB VAL 50 HB VAL 50 95.708 -0.582 6.557 378 1HG1 VAL 50 HG12 VAL 50 95.151 -0.590 9.435 379 2HG1 VAL 50 HG11 VAL 50 95.413 1.021 8.776 380 3HG1 VAL 50 HG13 VAL 50 94.152 -0.014 8.104 381 1HG2 VAL 50 HG23 VAL 50 98.219 -0.250 7.078 382 2HG2 VAL 50 HG22 VAL 50 97.219 1.200 6.971 383 3HG2 VAL 50 HG21 VAL 50 97.665 0.552 8.547 384 H ASP 51 HN ASP 51 98.680 -1.007 8.791 385 HA ASP 51 HA ASP 51 99.849 -1.014 10.826 386 1HB ASP 51 2HB ASP 51 97.982 0.606 11.256 387 2HB ASP 51 3HB ASP 51 97.057 -0.725 11.955 388 H GLY 52 HN GLY 52 98.591 -3.602 9.812 389 1HA GLY 52 2HA GLY 52 98.863 -5.812 10.587 390 2HA GLY 52 3HA GLY 52 99.358 -5.162 12.150 391 H GLU 53 HN GLU 53 96.421 -3.775 11.105 392 HA GLU 53 HA GLU 53 94.823 -5.874 12.483 393 1HB GLU 53 2HB GLU 53 93.691 -4.200 13.866 394 2HB GLU 53 3HB GLU 53 95.427 -4.165 14.182 395 1HG GLU 53 2HG GLU 53 95.570 -2.330 12.410 396 2HG GLU 53 3HG GLU 53 93.810 -2.249 12.494 397 H VAL 54 HN VAL 54 92.499 -5.704 12.054 398 HA VAL 54 HA VAL 54 91.985 -4.789 9.330 399 HB VAL 54 HB VAL 54 90.165 -6.029 11.417 400 1HG1 VAL 54 HG12 VAL 54 89.684 -5.058 8.605 401 2HG1 VAL 54 HG11 VAL 54 88.742 -6.395 9.268 402 3HG1 VAL 54 HG13 VAL 54 88.689 -4.810 10.041 403 1HG2 VAL 54 HG22 VAL 54 91.710 -7.053 9.040 404 2HG2 VAL 54 HG21 VAL 54 91.661 -7.697 10.680 405 3HG2 VAL 54 HG23 VAL 54 90.274 -7.903 9.610 406 H LYS 55 HN LYS 55 90.711 -3.057 8.702 407 HA LYS 55 HA LYS 55 89.839 -1.204 10.884 408 1HB LYS 55 2HB LYS 55 91.414 -0.800 8.431 409 2HB LYS 55 3HB LYS 55 90.118 0.377 8.661 410 1HG LYS 55 2HG LYS 55 92.153 1.173 9.725 411 2HG LYS 55 3HG LYS 55 90.958 0.790 10.962 412 1HD LYS 55 2HD LYS 55 92.035 -1.351 11.395 413 2HD LYS 55 3HD LYS 55 93.161 -1.081 10.070 414 1HE LYS 55 2HE LYS 55 93.486 1.214 11.545 415 2HE LYS 55 3HE LYS 55 93.188 0.019 12.801 416 1HZ LYS 55 HZ1 LYS 55 94.882 -1.266 11.144 417 2HZ LYS 55 HZ3 LYS 55 95.459 0.328 11.066 418 3HZ LYS 55 HZ2 LYS 55 95.337 -0.457 12.569 419 H HIS 56 HN HIS 56 87.895 0.006 10.476 420 HA HIS 56 HA HIS 56 86.206 -1.034 8.244 421 1HB HIS 56 2HB HIS 56 85.380 -0.482 11.108 422 2HB HIS 56 3HB HIS 56 84.238 -0.737 9.792 423 HD1 HIS 56 HD1 HIS 56 86.180 -2.976 8.441 424 HD2 HIS 56 HD2 HIS 56 84.608 -2.983 12.295 425 HE1 HIS 56 HE1 HIS 56 86.123 -5.393 9.185 426 H CYS 57 HN CYS 57 87.125 0.984 7.234 427 HA CYS 57 HA CYS 57 86.506 3.573 8.296 428 1HB CYS 57 2HB CYS 57 88.209 3.155 6.521 429 2HB CYS 57 3HB CYS 57 86.897 2.802 5.406 430 HG CYS 57 HG CYS 57 87.280 5.604 6.730 431 H VAL 58 HN VAL 58 84.725 4.836 8.045 432 HA VAL 58 HA VAL 58 82.353 3.505 6.843 433 HB VAL 58 HB VAL 58 82.815 5.461 9.048 434 1HG1 VAL 58 HG13 VAL 58 80.430 5.427 7.209 435 2HG1 VAL 58 HG12 VAL 58 80.285 5.955 8.885 436 3HG1 VAL 58 HG11 VAL 58 81.359 6.815 7.779 437 1HG2 VAL 58 HG23 VAL 58 82.219 2.876 9.085 438 2HG2 VAL 58 HG22 VAL 58 81.509 3.973 10.268 439 3HG2 VAL 58 HG21 VAL 58 80.578 3.478 8.853 440 H ILE 59 HN ILE 59 81.207 4.484 5.208 441 HA ILE 59 HA ILE 59 82.236 7.108 4.253 442 HB ILE 59 HB ILE 59 81.103 4.821 2.620 443 1HG1 ILE 59 HG12 ILE 59 83.864 6.090 2.586 444 2HG1 ILE 59 HG11 ILE 59 83.481 4.563 3.386 445 1HG2 ILE 59 HG22 ILE 59 81.300 7.682 2.119 446 2HG2 ILE 59 HG21 ILE 59 82.226 6.756 0.940 447 3HG2 ILE 59 HG23 ILE 59 80.509 6.431 1.161 448 1HD1 ILE 59 HD11 ILE 59 82.809 4.996 0.479 449 2HD1 ILE 59 HD13 ILE 59 84.417 4.460 0.966 450 3HD1 ILE 59 HD12 ILE 59 83.005 3.474 1.347 451 H ASN 60 HN ASN 60 80.679 8.727 4.191 452 HA ASN 60 HA ASN 60 77.817 7.833 4.285 453 1HB ASN 60 2HB ASN 60 79.138 10.044 5.882 454 2HB ASN 60 3HB ASN 60 77.397 9.763 5.811 455 1HD2 ASN 60 HD22 ASN 60 79.032 7.884 8.707 456 2HD2 ASN 60 HD21 ASN 60 79.218 9.486 8.182 457 H LYS 61 HN LYS 61 76.664 8.687 2.634 458 HA LYS 61 HA LYS 61 77.685 11.184 1.354 459 1HB LYS 61 2HB LYS 61 76.581 10.450 -0.665 460 2HB LYS 61 3HB LYS 61 77.543 9.107 -0.045 461 1HG LYS 61 2HG LYS 61 75.469 8.239 1.094 462 2HG LYS 61 3HG LYS 61 74.553 9.484 0.247 463 1HD LYS 61 2HD LYS 61 76.335 7.572 -1.253 464 2HD LYS 61 3HD LYS 61 74.667 7.157 -0.852 465 1HE LYS 61 2HE LYS 61 73.897 9.233 -1.971 466 2HE LYS 61 3HE LYS 61 75.565 9.592 -2.417 467 1HZ LYS 61 HZ1 LYS 61 74.991 6.962 -3.169 468 2HZ LYS 61 HZ3 LYS 61 73.743 7.950 -3.745 469 3HZ LYS 61 HZ2 LYS 61 75.353 8.287 -4.166 470 H THR 62 HN THR 62 76.483 12.976 1.718 471 HA THR 62 HA THR 62 73.553 12.640 2.208 472 HB THR 62 HB THR 62 75.276 14.690 3.612 473 HG1 THR 62 HG1 THR 62 74.715 12.017 4.212 474 1HG2 THR 62 HG21 THR 62 72.491 13.599 4.108 475 2HG2 THR 62 HG23 THR 62 73.304 14.804 5.110 476 3HG2 THR 62 HG22 THR 62 72.883 15.185 3.440 477 H ALA 63 HN ALA 63 72.974 13.430 0.126 478 HA ALA 63 HA ALA 63 72.703 15.048 -1.569 479 1HB ALA 63 HB3 ALA 63 71.918 16.257 0.621 480 2HB ALA 63 HB2 ALA 63 73.445 17.128 0.483 481 3HB ALA 63 HB1 ALA 63 72.253 17.233 -0.811 482 H THR 64 HN THR 64 75.090 16.864 0.342 483 HA THR 64 HA THR 64 77.002 16.540 -1.922 484 HB THR 64 HB THR 64 77.949 18.686 -1.123 485 HG1 THR 64 HG1 THR 64 75.896 19.500 0.349 486 1HG2 THR 64 HG21 THR 64 75.120 18.420 -2.013 487 2HG2 THR 64 HG23 THR 64 75.694 20.028 -1.559 488 3HG2 THR 64 HG22 THR 64 76.499 19.137 -2.850 489 H GLY 65 HN GLY 65 76.417 14.960 0.650 490 1HA GLY 65 2HA GLY 65 78.968 15.321 2.100 491 2HA GLY 65 3HA GLY 65 77.628 14.295 2.614 492 H TYR 66 HN TYR 66 79.965 13.124 2.804 493 HA TYR 66 HA TYR 66 79.841 10.868 1.011 494 1HB TYR 66 2HB TYR 66 82.217 12.754 0.739 495 2HB TYR 66 3HB TYR 66 82.131 11.131 0.053 496 HD1 TYR 66 HD1 TYR 66 80.225 10.593 -1.548 497 HD2 TYR 66 HD2 TYR 66 81.281 14.604 -0.433 498 HE1 TYR 66 HE1 TYR 66 79.000 11.462 -3.517 499 HE2 TYR 66 HE2 TYR 66 80.052 15.477 -2.406 500 HH TYR 66 HH TYR 66 79.378 14.457 -4.753 501 H GLY 67 HN GLY 67 82.470 9.901 1.447 502 1HA GLY 67 2HA GLY 67 82.278 9.237 4.276 503 2HA GLY 67 3HA GLY 67 83.547 8.691 3.177 504 H PHE 68 HN PHE 68 84.652 10.995 2.289 505 HA PHE 68 HA PHE 68 85.621 12.253 4.811 506 1HB PHE 68 2HB PHE 68 87.037 11.790 2.170 507 2HB PHE 68 3HB PHE 68 87.729 12.674 3.530 508 HD1 PHE 68 HD1 PHE 68 86.675 9.331 2.308 509 HD2 PHE 68 HD2 PHE 68 88.388 11.548 5.569 510 HE1 PHE 68 HE1 PHE 68 87.418 7.211 3.362 511 HE2 PHE 68 HE2 PHE 68 89.130 9.430 6.614 512 HZ PHE 68 HZ PHE 68 88.654 7.263 5.519 513 H ALA 69 HN ALA 69 85.159 14.406 5.020 514 HA ALA 69 HA ALA 69 84.649 15.968 2.513 515 1HB ALA 69 HB3 ALA 69 82.573 15.402 3.883 516 2HB ALA 69 HB2 ALA 69 83.239 16.429 5.153 517 3HB ALA 69 HB1 ALA 69 82.836 17.120 3.582 518 H GLU 70 HN GLU 70 86.679 15.606 5.079 519 HA GLU 70 HA GLU 70 87.008 18.267 6.048 520 1HB GLU 70 2HB GLU 70 87.944 16.227 7.128 521 2HB GLU 70 3HB GLU 70 89.127 16.118 5.834 522 1HG GLU 70 2HG GLU 70 90.119 18.202 6.425 523 2HG GLU 70 3HG GLU 70 88.797 18.589 7.531 524 HA PRO 71 HA PRO 71 90.140 18.876 2.502 525 1HB PRO 71 2HB PRO 71 90.095 17.086 0.424 526 2HB PRO 71 3HB PRO 71 91.112 16.889 1.858 527 1HG PRO 71 2HG PRO 71 88.728 15.418 1.058 528 2HG PRO 71 3HG PRO 71 89.984 14.979 2.224 529 1HD PRO 71 2HD PRO 71 87.355 16.010 2.772 530 2HD PRO 71 3HD PRO 71 88.619 15.568 3.927 531 H TYR 72 HN TYR 72 89.865 19.980 0.376 532 HA TYR 72 HA TYR 72 87.009 20.452 -0.232 533 1HB TYR 72 2HB TYR 72 88.498 22.403 -0.130 534 2HB TYR 72 3HB TYR 72 89.541 21.698 -1.364 535 HD1 TYR 72 HD1 TYR 72 85.968 22.666 -0.776 536 HD2 TYR 72 HD2 TYR 72 89.156 22.207 -3.619 537 HE1 TYR 72 HE1 TYR 72 84.537 23.653 -2.538 538 HE2 TYR 72 HE2 TYR 72 87.721 23.197 -5.387 539 HH TYR 72 HH TYR 72 85.753 24.704 -5.521 540 H ASN 73 HN ASN 73 87.288 17.931 -0.895 541 HA ASN 73 HA ASN 73 88.151 17.817 -3.743 542 1HB ASN 73 2HB ASN 73 89.089 16.152 -2.119 543 2HB ASN 73 3HB ASN 73 87.456 15.517 -1.904 544 1HD2 ASN 73 HD22 ASN 73 87.634 14.849 -5.700 545 2HD2 ASN 73 HD21 ASN 73 86.863 16.107 -4.869 546 H LEU 74 HN LEU 74 85.382 16.779 -1.675 547 HA LEU 74 HA LEU 74 83.146 16.375 -2.330 548 1HB LEU 74 2HB LEU 74 83.933 18.372 -4.480 549 2HB LEU 74 3HB LEU 74 82.279 17.900 -4.088 550 HG LEU 74 HG LEU 74 84.226 19.192 -2.156 551 1HD1 LEU 74 HD11 LEU 74 83.316 20.627 -4.055 552 2HD1 LEU 74 HD13 LEU 74 81.711 20.360 -3.376 553 3HD1 LEU 74 HD12 LEU 74 82.944 21.198 -2.431 554 1HD2 LEU 74 HD23 LEU 74 81.475 18.027 -1.940 555 2HD2 LEU 74 HD22 LEU 74 82.795 18.000 -0.771 556 3HD2 LEU 74 HD21 LEU 74 81.844 19.468 -0.993 557 H TYR 75 HN TYR 75 84.243 14.187 -2.999 558 HA TYR 75 HA TYR 75 84.942 13.550 -5.642 559 1HB TYR 75 2HB TYR 75 83.413 11.810 -3.684 560 2HB TYR 75 3HB TYR 75 84.288 11.233 -5.104 561 HD1 TYR 75 HD1 TYR 75 86.775 11.645 -5.265 562 HD2 TYR 75 HD2 TYR 75 84.545 12.296 -1.656 563 HE1 TYR 75 HE1 TYR 75 88.885 11.634 -3.964 564 HE2 TYR 75 HE2 TYR 75 86.653 12.280 -0.350 565 HH TYR 75 HH TYR 75 89.715 12.509 -1.810 566 H SER 76 HN SER 76 83.814 13.523 -7.506 567 HA SER 76 HA SER 76 81.009 14.224 -7.547 568 1HB SER 76 2HB SER 76 82.914 13.314 -9.711 569 2HB SER 76 3HB SER 76 81.252 13.800 -10.025 570 HG SER 76 HG SER 76 81.751 15.827 -9.600 571 H SER 77 HN SER 77 82.816 11.192 -7.940 572 HA SER 77 HA SER 77 80.236 9.727 -7.677 573 1HB SER 77 2HB SER 77 80.738 8.281 -9.547 574 2HB SER 77 3HB SER 77 80.853 9.947 -10.112 575 HG SER 77 HG SER 77 83.180 8.999 -9.036 576 H LEU 78 HN LEU 78 80.542 7.480 -6.995 577 HA LEU 78 HA LEU 78 82.502 7.130 -4.959 578 1HB LEU 78 2HB LEU 78 80.870 5.090 -6.500 579 2HB LEU 78 3HB LEU 78 81.820 4.718 -5.059 580 HG LEU 78 HG LEU 78 79.654 6.833 -5.143 581 1HD1 LEU 78 HD13 LEU 78 79.587 3.921 -4.325 582 2HD1 LEU 78 HD12 LEU 78 78.410 5.091 -3.732 583 3HD1 LEU 78 HD11 LEU 78 78.522 4.751 -5.459 584 1HD2 LEU 78 HD22 LEU 78 81.522 5.710 -3.092 585 2HD2 LEU 78 HD21 LEU 78 80.980 7.373 -3.322 586 3HD2 LEU 78 HD23 LEU 78 79.905 6.193 -2.568 587 H LYS 79 HN LYS 79 82.526 6.195 -8.386 588 HA LYS 79 HA LYS 79 84.771 4.466 -8.328 589 1HB LYS 79 2HB LYS 79 83.297 4.911 -10.338 590 2HB LYS 79 3HB LYS 79 84.149 6.443 -10.546 591 1HG LYS 79 2HG LYS 79 86.295 5.223 -10.715 592 2HG LYS 79 3HG LYS 79 85.434 3.695 -10.549 593 1HD LYS 79 2HD LYS 79 84.750 5.677 -12.723 594 2HD LYS 79 3HD LYS 79 86.006 4.461 -12.942 595 1HE LYS 79 2HE LYS 79 84.290 2.712 -12.298 596 2HE LYS 79 3HE LYS 79 83.068 3.985 -12.374 597 1HZ LYS 79 HZ1 LYS 79 84.808 3.888 -14.665 598 2HZ LYS 79 HZ3 LYS 79 83.870 2.489 -14.469 599 3HZ LYS 79 HZ2 LYS 79 83.114 4.006 -14.593 600 H GLU 80 HN GLU 80 84.616 8.017 -8.545 601 HA GLU 80 HA GLU 80 87.473 8.333 -8.817 602 1HB GLU 80 2HB GLU 80 85.780 10.092 -9.428 603 2HB GLU 80 3HB GLU 80 85.482 10.336 -7.707 604 1HG GLU 80 2HG GLU 80 87.871 10.889 -7.381 605 2HG GLU 80 3HG GLU 80 88.151 10.675 -9.110 606 H LEU 81 HN LEU 81 85.257 8.130 -6.066 607 HA LEU 81 HA LEU 81 87.043 9.012 -4.043 608 1HB LEU 81 2HB LEU 81 84.643 8.696 -3.637 609 2HB LEU 81 3HB LEU 81 84.819 6.956 -3.859 610 HG LEU 81 HG LEU 81 84.785 7.834 -1.432 611 1HD1 LEU 81 HD11 LEU 81 85.956 5.639 -2.556 612 2HD1 LEU 81 HD13 LEU 81 87.339 6.380 -1.754 613 3HD1 LEU 81 HD12 LEU 81 85.910 5.949 -0.821 614 1HD2 LEU 81 HD21 LEU 81 86.435 9.711 -2.086 615 2HD2 LEU 81 HD23 LEU 81 86.728 8.867 -0.571 616 3HD2 LEU 81 HD22 LEU 81 87.682 8.468 -1.994 617 H VAL 82 HN VAL 82 86.429 5.671 -5.181 618 HA VAL 82 HA VAL 82 88.370 4.496 -3.430 619 HB VAL 82 HB VAL 82 86.481 3.381 -4.849 620 1HG1 VAL 82 HG12 VAL 82 87.682 4.320 -6.976 621 2HG1 VAL 82 HG11 VAL 82 88.726 2.910 -6.782 622 3HG1 VAL 82 HG13 VAL 82 86.991 2.696 -7.017 623 1HG2 VAL 82 HG21 VAL 82 88.336 2.310 -3.371 624 2HG2 VAL 82 HG23 VAL 82 87.512 1.289 -4.549 625 3HG2 VAL 82 HG22 VAL 82 89.116 1.924 -4.905 626 H LEU 83 HN LEU 83 88.580 5.817 -6.713 627 HA LEU 83 HA LEU 83 91.277 4.955 -7.233 628 1HB LEU 83 2HB LEU 83 89.763 5.640 -9.032 629 2HB LEU 83 3HB LEU 83 89.693 7.272 -8.374 630 HG LEU 83 HG LEU 83 92.187 7.432 -8.687 631 1HD1 LEU 83 HD11 LEU 83 91.694 4.667 -9.658 632 2HD1 LEU 83 HD13 LEU 83 92.832 5.634 -10.598 633 3HD1 LEU 83 HD12 LEU 83 93.123 5.348 -8.881 634 1HD2 LEU 83 HD23 LEU 83 90.319 8.139 -10.377 635 2HD2 LEU 83 HD22 LEU 83 91.987 8.078 -10.945 636 3HD2 LEU 83 HD21 LEU 83 90.879 6.759 -11.321 637 H HIS 84 HN HIS 84 89.963 8.056 -6.033 638 HA HIS 84 HA HIS 84 92.472 9.387 -5.893 639 1HB HIS 84 2HB HIS 84 90.261 10.520 -5.707 640 2HB HIS 84 3HB HIS 84 90.059 9.805 -4.109 641 HD1 HIS 84 HD1 HIS 84 92.452 12.137 -5.965 642 HD2 HIS 84 HD2 HIS 84 91.270 11.234 -2.068 643 HE1 HIS 84 HE1 HIS 84 93.597 13.819 -4.454 644 H TYR 85 HN TYR 85 90.797 7.349 -3.486 645 HA TYR 85 HA TYR 85 92.761 7.818 -1.423 646 1HB TYR 85 2HB TYR 85 90.413 6.064 -1.785 647 2HB TYR 85 3HB TYR 85 91.661 5.437 -0.708 648 HD1 TYR 85 HD2 TYR 85 90.866 8.999 -1.381 649 HD2 TYR 85 HD1 TYR 85 90.659 5.767 1.434 650 HE1 TYR 85 HE2 TYR 85 90.191 10.593 0.393 651 HE2 TYR 85 HE1 TYR 85 89.975 7.355 3.211 652 HH TYR 85 HH TYR 85 90.321 10.671 2.930 653 H GLN 86 HN GLN 86 92.654 5.660 -4.141 654 HA GLN 86 HA GLN 86 94.492 3.664 -3.224 655 1HB GLN 86 2HB GLN 86 93.489 3.064 -5.222 656 2HB GLN 86 3HB GLN 86 93.550 4.700 -5.871 657 1HG GLN 86 2HG GLN 86 95.093 3.162 -7.059 658 2HG GLN 86 3HG GLN 86 95.951 4.483 -6.273 659 1HE2 GLN 86 HE22 GLN 86 97.533 1.099 -5.512 660 2HE2 GLN 86 HE21 GLN 86 97.007 1.795 -6.970 661 H HIS 87 HN HIS 87 94.894 6.973 -4.187 662 HA HIS 87 HA HIS 87 97.851 6.632 -4.349 663 1HB HIS 87 2HB HIS 87 96.673 7.898 -6.167 664 2HB HIS 87 3HB HIS 87 96.164 9.083 -4.967 665 HD1 HIS 87 HD1 HIS 87 98.088 10.552 -3.862 666 HD2 HIS 87 HD2 HIS 87 99.333 8.142 -7.024 667 HE1 HIS 87 HE1 HIS 87 100.382 11.386 -4.545 668 H THR 88 HN THR 88 95.279 8.204 -2.517 669 HA THR 88 HA THR 88 97.144 9.649 -0.761 670 HB THR 88 HB THR 88 94.165 9.165 -0.434 671 HG1 THR 88 HG1 THR 88 93.893 10.640 -1.882 672 1HG2 THR 88 HG21 THR 88 95.910 10.124 1.410 673 2HG2 THR 88 HG23 THR 88 95.494 11.616 0.563 674 3HG2 THR 88 HG22 THR 88 94.226 10.638 1.303 675 H SER 89 HN SER 89 97.700 9.077 1.318 676 HA SER 89 HA SER 89 97.199 6.242 2.041 677 1HB SER 89 2HB SER 89 99.183 8.325 2.930 678 2HB SER 89 3HB SER 89 98.993 6.805 3.801 679 HG SER 89 HG SER 89 99.430 6.970 1.001 680 H LEU 90 HN LEU 90 95.843 5.707 3.669 681 HA LEU 90 HA LEU 90 94.198 7.675 4.941 682 1HB LEU 90 2HB LEU 90 94.631 4.749 5.572 683 2HB LEU 90 3HB LEU 90 93.360 5.744 6.281 684 HG LEU 90 HG LEU 90 93.466 6.037 3.382 685 1HD1 LEU 90 HD11 LEU 90 93.360 3.291 4.577 686 2HD1 LEU 90 HD13 LEU 90 92.305 3.660 3.212 687 3HD1 LEU 90 HD12 LEU 90 94.051 3.824 3.042 688 1HD2 LEU 90 HD21 LEU 90 91.385 5.212 5.420 689 2HD2 LEU 90 HD23 LEU 90 91.571 6.792 4.657 690 3HD2 LEU 90 HD22 LEU 90 91.035 5.408 3.704 691 H VAL 91 HN VAL 91 97.381 6.689 5.768 692 HA VAL 91 HA VAL 91 98.129 6.523 8.244 693 HB VAL 91 HB VAL 91 99.545 7.752 6.658 694 1HG1 VAL 91 HG11 VAL 91 97.566 9.314 6.036 695 2HG1 VAL 91 HG13 VAL 91 98.058 10.257 7.442 696 3HG1 VAL 91 HG12 VAL 91 99.180 10.021 6.106 697 1HG2 VAL 91 HG22 VAL 91 99.111 9.200 9.290 698 2HG2 VAL 91 HG21 VAL 91 100.151 7.801 9.042 699 3HG2 VAL 91 HG23 VAL 91 100.551 9.340 8.283 700 H GLN 92 HN GLN 92 96.348 9.534 7.449 701 HA GLN 92 HA GLN 92 96.075 10.759 9.866 702 1HB GLN 92 2HB GLN 92 94.861 11.355 7.720 703 2HB GLN 92 3HB GLN 92 93.655 10.142 8.153 704 1HG GLN 92 2HG GLN 92 93.226 11.330 10.277 705 2HG GLN 92 3HG GLN 92 94.419 12.552 9.833 706 1HE2 GLN 92 HE22 GLN 92 90.957 13.692 8.796 707 2HE2 GLN 92 HE21 GLN 92 91.596 13.144 10.270 708 H HIS 93 HN HIS 93 94.880 10.492 11.761 709 HA HIS 93 HA HIS 93 93.215 9.402 13.151 710 1HB HIS 93 2HB HIS 93 92.540 7.942 11.160 711 2HB HIS 93 3HB HIS 93 93.818 6.832 11.674 712 HD1 HIS 93 HD1 HIS 93 90.966 5.813 11.838 713 HD2 HIS 93 HD2 HIS 93 92.820 7.821 14.984 714 HE1 HIS 93 HE1 HIS 93 89.703 5.174 13.935 715 H ASN 94 HN ASN 94 94.466 6.346 13.184 716 HA ASN 94 HA ASN 94 95.982 6.846 15.598 717 1HB ASN 94 2HB ASN 94 95.830 4.357 13.879 718 2HB ASN 94 3HB ASN 94 96.481 4.431 15.514 719 1HD2 ASN 94 HD22 ASN 94 93.104 5.179 16.863 720 2HD2 ASN 94 HD21 ASN 94 94.639 5.901 16.932 721 H ASP 95 HN ASP 95 96.804 7.820 12.720 722 HA ASP 95 HA ASP 95 98.821 8.334 11.661 723 1HB ASP 95 2HB ASP 95 99.903 7.483 14.366 724 2HB ASP 95 3HB ASP 95 100.909 8.140 13.077 725 H SER 96 HN SER 96 97.805 5.295 12.295 726 HA SER 96 HA SER 96 100.178 4.102 10.925 727 1HB SER 96 2HB SER 96 98.130 2.600 12.591 728 2HB SER 96 3HB SER 96 99.643 1.969 11.944 729 HG SER 96 HG SER 96 100.689 3.605 13.260 730 H LEU 97 HN LEU 97 97.333 5.333 10.220 731 HA LEU 97 HA LEU 97 96.216 3.140 8.608 732 1HB LEU 97 2HB LEU 97 95.511 6.088 8.851 733 2HB LEU 97 3HB LEU 97 94.619 4.932 7.863 734 HG LEU 97 HG LEU 97 93.560 5.265 10.085 735 1HD1 LEU 97 HD11 LEU 97 93.903 2.939 8.752 736 2HD1 LEU 97 HD13 LEU 97 94.652 2.519 10.293 737 3HD1 LEU 97 HD12 LEU 97 92.977 3.071 10.247 738 1HD2 LEU 97 HD21 LEU 97 95.956 5.560 11.144 739 2HD2 LEU 97 HD23 LEU 97 94.661 4.835 12.095 740 3HD2 LEU 97 HD22 LEU 97 95.874 3.809 11.330 741 H ASN 98 HN ASN 98 98.987 4.219 8.195 742 HA ASN 98 HA ASN 98 98.966 5.749 5.728 743 1HB ASN 98 2HB ASN 98 100.834 5.733 7.435 744 2HB ASN 98 3HB ASN 98 101.225 4.099 6.897 745 1HD2 ASN 98 HD22 ASN 98 101.707 7.080 4.094 746 2HD2 ASN 98 HD21 ASN 98 100.363 7.130 5.131 747 H VAL 99 HN VAL 99 97.431 4.272 4.693 748 HA VAL 99 HA VAL 99 98.838 2.244 3.064 749 HB VAL 99 HB VAL 99 97.850 0.941 4.892 750 1HG1 VAL 99 HG13 VAL 99 95.303 2.387 4.103 751 2HG1 VAL 99 HG12 VAL 99 95.358 1.028 5.211 752 3HG1 VAL 99 HG11 VAL 99 96.151 2.541 5.636 753 1HG2 VAL 99 HG23 VAL 99 96.187 0.783 2.359 754 2HG2 VAL 99 HG22 VAL 99 97.740 -0.009 2.618 755 3HG2 VAL 99 HG21 VAL 99 96.334 -0.491 3.569 756 H THR 100 HN THR 100 97.588 1.799 1.087 757 HA THR 100 HA THR 100 95.507 3.905 0.585 758 HB THR 100 HB THR 100 96.389 4.289 -1.601 759 HG1 THR 100 HG1 THR 100 98.448 2.866 -1.955 760 1HG2 THR 100 HG22 THR 100 98.027 4.559 0.724 761 2HG2 THR 100 HG21 THR 100 99.075 4.116 -0.625 762 3HG2 THR 100 HG23 THR 100 98.042 5.541 -0.740 763 H LEU 101 HN LEU 101 93.935 3.264 -1.100 764 HA LEU 101 HA LEU 101 93.252 0.426 -0.829 765 1HB LEU 101 2HB LEU 101 91.923 2.527 -2.576 766 2HB LEU 101 3HB LEU 101 91.221 1.008 -2.027 767 HG LEU 101 HG LEU 101 92.036 3.331 -0.249 768 1HD1 LEU 101 HD13 LEU 101 89.960 3.591 -1.692 769 2HD1 LEU 101 HD12 LEU 101 89.277 2.221 -0.816 770 3HD1 LEU 101 HD11 LEU 101 89.680 3.707 0.046 771 1HD2 LEU 101 HD21 LEU 101 91.469 0.521 0.287 772 2HD2 LEU 101 HD23 LEU 101 92.123 1.747 1.364 773 3HD2 LEU 101 HD22 LEU 101 90.379 1.587 1.163 774 H ALA 102 HN ALA 102 95.420 -0.098 -1.892 775 HA ALA 102 HA ALA 102 95.385 0.277 -4.828 776 1HB ALA 102 HB3 ALA 102 97.455 0.707 -3.458 777 2HB ALA 102 HB2 ALA 102 97.524 -1.029 -3.132 778 3HB ALA 102 HB1 ALA 102 97.687 -0.434 -4.786 779 H TYR 103 HN TYR 103 94.967 -2.316 -2.461 780 HA TYR 103 HA TYR 103 94.887 -4.236 -4.752 781 1HB TYR 103 2HB TYR 103 95.494 -4.638 -1.826 782 2HB TYR 103 3HB TYR 103 95.183 -5.980 -2.926 783 HD1 TYR 103 HD1 TYR 103 96.737 -6.515 -4.726 784 HD2 TYR 103 HD2 TYR 103 97.506 -3.263 -2.027 785 HE1 TYR 103 HE1 TYR 103 99.082 -6.417 -5.517 786 HE2 TYR 103 HE2 TYR 103 99.855 -3.164 -2.819 787 HH TYR 103 HH TYR 103 101.170 -5.601 -4.974 788 HA PRO 104 HA PRO 104 90.409 -4.101 -3.814 789 1HB PRO 104 2HB PRO 104 90.319 -6.084 -5.996 790 2HB PRO 104 3HB PRO 104 89.491 -4.527 -5.857 791 1HG PRO 104 2HG PRO 104 91.551 -4.985 -7.555 792 2HG PRO 104 3HG PRO 104 91.168 -3.392 -6.874 793 1HD PRO 104 2HD PRO 104 93.394 -5.241 -6.192 794 2HD PRO 104 3HD PRO 104 93.303 -3.473 -6.042 795 H VAL 105 HN VAL 105 89.145 -5.612 -2.677 796 HA VAL 105 HA VAL 105 90.541 -7.895 -1.576 797 HB VAL 105 HB VAL 105 88.891 -6.710 -0.250 798 1HG1 VAL 105 HG12 VAL 105 87.195 -7.231 -2.639 799 2HG1 VAL 105 HG11 VAL 105 86.390 -7.351 -1.075 800 3HG1 VAL 105 HG13 VAL 105 87.202 -5.857 -1.538 801 1HG2 VAL 105 HG21 VAL 105 89.136 -9.426 -0.416 802 2HG2 VAL 105 HG23 VAL 105 88.156 -8.603 0.796 803 3HG2 VAL 105 HG22 VAL 105 87.403 -9.236 -0.665 804 H TYR 106 HN TYR 106 88.247 -7.389 -4.169 805 HA TYR 106 HA TYR 106 88.292 -10.321 -4.716 806 1HB TYR 106 2HB TYR 106 86.303 -8.187 -5.517 807 2HB TYR 106 3HB TYR 106 86.239 -9.852 -6.092 808 HD1 TYR 106 HD1 TYR 106 86.302 -11.715 -4.224 809 HD2 TYR 106 HD2 TYR 106 85.207 -7.617 -3.525 810 HE1 TYR 106 HE1 TYR 106 85.122 -12.381 -2.148 811 HE2 TYR 106 HE2 TYR 106 84.033 -8.288 -1.449 812 HH TYR 106 HH TYR 106 84.345 -11.450 -0.087 813 H ALA 107 HN ALA 107 90.408 -8.401 -5.464 814 HA ALA 107 HA ALA 107 90.411 -7.411 -8.037 815 1HB ALA 107 HB1 ALA 107 92.486 -8.849 -6.423 816 2HB ALA 107 HB3 ALA 107 92.835 -8.475 -8.110 817 3HB ALA 107 HB2 ALA 107 92.463 -7.176 -6.978 818 H GLN 108 HN GLN 108 90.024 -8.261 -10.040 819 HA GLN 108 HA GLN 108 90.235 -11.229 -10.355 820 1HB GLN 108 2HB GLN 108 87.859 -10.422 -10.193 821 2HB GLN 108 3HB GLN 108 88.146 -9.446 -11.636 822 1HG GLN 108 2HG GLN 108 88.705 -11.472 -12.913 823 2HG GLN 108 3HG GLN 108 88.455 -12.458 -11.471 824 1HE2 GLN 108 HE22 GLN 108 85.157 -12.835 -12.813 825 2HE2 GLN 108 HE21 GLN 108 86.671 -13.590 -12.662 826 H GLN 109 HN GLN 109 91.241 -11.923 -12.242 827 HA GLN 109 HA GLN 109 92.701 -9.930 -13.788 828 1HB GLN 109 2HB GLN 109 92.366 -12.926 -14.174 829 2HB GLN 109 3HB GLN 109 93.448 -11.913 -15.132 830 1HG GLN 109 2HG GLN 109 94.687 -11.272 -13.136 831 2HG GLN 109 3HG GLN 109 93.553 -12.160 -12.112 832 1HE2 GLN 109 HE22 GLN 109 95.776 -14.888 -12.345 833 2HE2 GLN 109 HE21 GLN 109 95.040 -13.741 -11.332 834 H ARG 110 HN ARG 110 92.358 -9.407 -16.004 835 HA ARG 110 HA ARG 110 89.601 -9.229 -16.786 836 1HB ARG 110 2HB ARG 110 91.485 -7.676 -17.508 837 2HB ARG 110 3HB ARG 110 91.991 -8.937 -18.631 838 1HG ARG 110 2HG ARG 110 89.680 -8.917 -19.603 839 2HG ARG 110 3HG ARG 110 89.302 -7.528 -18.579 840 1HD ARG 110 2HD ARG 110 91.707 -6.816 -19.766 841 2HD ARG 110 3HD ARG 110 90.861 -7.648 -21.066 842 HE ARG 110 HE ARG 110 90.326 -5.022 -20.368 843 1HH1 ARG 110 HH21 ARG 110 88.534 -7.975 -20.258 844 2HH1 ARG 110 HH22 ARG 110 87.005 -7.195 -20.460 845 1HH2 ARG 110 HH11 ARG 110 88.348 -4.002 -20.591 846 2HH2 ARG 110 HH12 ARG 110 86.898 -4.949 -20.659 847 H ARG 111 HN ARG 111 88.388 -10.515 -18.103 848 HA ARG 111 HA ARG 111 89.493 -13.159 -18.802 849 1HB ARG 111 2HB ARG 111 87.188 -12.869 -17.799 850 2HB ARG 111 3HB ARG 111 86.704 -12.077 -19.301 851 1HG ARG 111 2HG ARG 111 87.275 -14.090 -20.583 852 2HG ARG 111 3HG ARG 111 87.826 -14.890 -19.110 853 1HD ARG 111 2HD ARG 111 85.018 -13.815 -19.425 854 2HD ARG 111 3HD ARG 111 85.457 -15.468 -19.847 855 HE ARG 111 HE ARG 111 86.388 -15.189 -17.260 856 1HH1 ARG 111 HH21 ARG 111 83.425 -14.683 -18.932 857 2HH1 ARG 111 HH22 ARG 111 82.430 -15.026 -17.558 858 1HH2 ARG 111 HH11 ARG 111 85.106 -15.659 -15.447 859 2HH2 ARG 111 HH12 ARG 111 83.379 -15.572 -15.583 No H/Q in entry = 859 Start of MODEL 6 1 1H GLU 1 HT1 GLU 1 95.732 -2.823 -19.553 2 2H GLU 1 HT3 GLU 1 97.319 -3.266 -19.959 3 3H GLU 1 HT2 GLU 1 96.408 -4.241 -18.906 4 HA GLU 1 HA GLU 1 97.511 -3.169 -17.293 5 1HB GLU 1 2HB GLU 1 97.888 -0.989 -19.363 6 2HB GLU 1 3HB GLU 1 98.466 -0.856 -17.702 7 1HG GLU 1 2HG GLU 1 99.236 -3.035 -19.662 8 2HG GLU 1 3HG GLU 1 100.256 -1.678 -19.176 9 H ASP 2 HN ASP 2 94.618 -2.969 -18.065 10 HA ASP 2 HA ASP 2 93.693 -0.335 -17.334 11 1HB ASP 2 2HB ASP 2 91.485 -1.361 -17.232 12 2HB ASP 2 3HB ASP 2 92.345 -1.999 -18.635 13 H LEU 3 HN LEU 3 92.386 0.080 -15.340 14 HA LEU 3 HA LEU 3 93.736 -1.117 -12.972 15 1HB LEU 3 2HB LEU 3 91.977 1.345 -13.262 16 2HB LEU 3 3HB LEU 3 92.752 0.828 -11.765 17 HG LEU 3 HG LEU 3 94.298 1.389 -14.306 18 1HD1 LEU 3 HD13 LEU 3 93.676 3.219 -11.973 19 2HD1 LEU 3 HD12 LEU 3 94.900 3.554 -13.198 20 3HD1 LEU 3 HD11 LEU 3 93.199 3.454 -13.654 21 1HD2 LEU 3 HD21 LEU 3 95.002 0.940 -11.400 22 2HD2 LEU 3 HD23 LEU 3 95.591 0.058 -12.809 23 3HD2 LEU 3 HD22 LEU 3 96.125 1.714 -12.517 24 HA PRO 4 HA PRO 4 90.013 -3.479 -12.340 25 1HB PRO 4 2HB PRO 4 90.451 -4.259 -9.748 26 2HB PRO 4 3HB PRO 4 91.228 -5.016 -11.149 27 1HG PRO 4 2HG PRO 4 92.323 -3.082 -9.193 28 2HG PRO 4 3HG PRO 4 93.131 -4.387 -10.076 29 1HD PRO 4 2HD PRO 4 93.314 -1.697 -10.735 30 2HD PRO 4 3HD PRO 4 93.632 -3.032 -11.864 31 H HIS 5 HN HIS 5 90.765 -0.595 -10.870 32 HA HIS 5 HA HIS 5 88.635 -0.459 -8.913 33 1HB HIS 5 2HB HIS 5 90.212 1.745 -10.278 34 2HB HIS 5 3HB HIS 5 89.152 1.969 -8.885 35 HD1 HIS 5 HD1 HIS 5 90.051 1.304 -6.595 36 HD2 HIS 5 HD2 HIS 5 92.578 0.141 -9.700 37 HE1 HIS 5 HE1 HIS 5 92.159 0.409 -5.511 38 H HIS 6 HN HIS 6 88.837 -0.036 -12.358 39 HA HIS 6 HA HIS 6 86.581 1.676 -12.731 40 1HB HIS 6 2HB HIS 6 87.742 -0.510 -14.480 41 2HB HIS 6 3HB HIS 6 86.411 0.529 -14.991 42 HD1 HIS 6 HD1 HIS 6 86.948 3.163 -15.064 43 HD2 HIS 6 HD2 HIS 6 90.266 0.668 -14.690 44 HE1 HIS 6 HE1 HIS 6 88.971 4.570 -15.650 45 H ASP 7 HN ASP 7 86.822 -1.781 -12.058 46 HA ASP 7 HA ASP 7 83.921 -2.123 -12.478 47 1HB ASP 7 2HB ASP 7 86.052 -4.090 -11.605 48 2HB ASP 7 3HB ASP 7 84.365 -4.497 -11.912 49 H GLU 8 HN GLU 8 82.469 -2.126 -10.836 50 HA GLU 8 HA GLU 8 83.243 -1.335 -8.177 51 1HB GLU 8 2HB GLU 8 81.063 -0.757 -9.265 52 2HB GLU 8 3HB GLU 8 80.592 -2.452 -9.122 53 1HG GLU 8 2HG GLU 8 80.618 -2.376 -6.761 54 2HG GLU 8 3HG GLU 8 81.508 -0.857 -6.737 55 H LYS 9 HN LYS 9 82.479 -4.358 -9.723 56 HA LYS 9 HA LYS 9 82.029 -5.979 -7.441 57 1HB LYS 9 2HB LYS 9 81.431 -6.717 -9.651 58 2HB LYS 9 3HB LYS 9 83.100 -6.608 -10.198 59 1HG LYS 9 2HG LYS 9 83.012 -8.296 -7.883 60 2HG LYS 9 3HG LYS 9 81.787 -8.844 -9.024 61 1HD LYS 9 2HD LYS 9 83.838 -9.958 -9.617 62 2HD LYS 9 3HD LYS 9 83.554 -8.709 -10.831 63 1HE LYS 9 2HE LYS 9 85.148 -7.227 -9.822 64 2HE LYS 9 3HE LYS 9 85.262 -8.242 -8.386 65 1HZ LYS 9 HZ3 LYS 9 86.111 -10.030 -9.870 66 2HZ LYS 9 HZ2 LYS 9 86.199 -8.884 -11.122 67 3HZ LYS 9 HZ1 LYS 9 87.141 -8.693 -9.722 68 H THR 10 HN THR 10 85.086 -4.860 -8.803 69 HA THR 10 HA THR 10 86.725 -6.879 -7.548 70 HB THR 10 HB THR 10 88.567 -5.189 -7.946 71 HG1 THR 10 HG1 THR 10 88.020 -3.312 -8.929 72 1HG2 THR 10 HG21 THR 10 87.869 -6.928 -9.590 73 2HG2 THR 10 HG23 THR 10 86.733 -5.771 -10.286 74 3HG2 THR 10 HG22 THR 10 88.469 -5.461 -10.366 75 H TRP 11 HN TRP 11 85.362 -3.884 -6.276 76 HA TRP 11 HA TRP 11 86.869 -4.461 -3.745 77 1HB TRP 11 2HB TRP 11 86.029 -1.839 -3.503 78 2HB TRP 11 3HB TRP 11 87.653 -2.342 -3.973 79 HD1 TRP 11 HD1 TRP 11 87.856 -2.884 -6.747 80 HE1 TRP 11 HE1 TRP 11 86.923 -1.458 -8.680 81 HE3 TRP 11 HE3 TRP 11 84.370 -0.187 -4.204 82 HZ2 TRP 11 HZ2 TRP 11 84.946 0.603 -9.077 83 HZ3 TRP 11 HZ3 TRP 11 82.974 1.490 -5.361 84 HH2 TRP 11 HH2 TRP 11 83.257 1.897 -7.794 85 H ASN 12 HN ASN 12 83.788 -3.722 -5.235 86 HA ASN 12 HA ASN 12 82.397 -3.449 -2.682 87 1HB ASN 12 2HB ASN 12 81.610 -2.356 -4.798 88 2HB ASN 12 3HB ASN 12 81.213 -3.964 -5.415 89 1HD2 ASN 12 HD22 ASN 12 78.010 -3.356 -3.981 90 2HD2 ASN 12 HD21 ASN 12 78.890 -3.454 -5.429 91 H VAL 13 HN VAL 13 81.735 -5.155 -1.438 92 HA VAL 13 HA VAL 13 81.803 -7.870 -2.661 93 HB VAL 13 HB VAL 13 81.620 -7.054 0.258 94 1HG1 VAL 13 HG12 VAL 13 81.898 -9.724 -1.146 95 2HG1 VAL 13 HG11 VAL 13 82.317 -9.496 0.552 96 3HG1 VAL 13 HG13 VAL 13 80.661 -9.233 0.010 97 1HG2 VAL 13 HG21 VAL 13 83.781 -6.557 -1.081 98 2HG2 VAL 13 HG23 VAL 13 83.945 -7.473 0.416 99 3HG2 VAL 13 HG22 VAL 13 83.988 -8.307 -1.139 100 H GLY 14 HN GLY 14 79.583 -5.463 -2.054 101 1HA GLY 14 2HA GLY 14 77.233 -5.586 -2.356 102 2HA GLY 14 3HA GLY 14 77.350 -7.345 -2.336 103 H SER 15 HN SER 15 75.659 -7.600 -0.783 104 HA SER 15 HA SER 15 75.855 -6.199 1.785 105 1HB SER 15 2HB SER 15 74.014 -8.413 0.836 106 2HB SER 15 3HB SER 15 73.856 -7.567 2.373 107 HG SER 15 HG SER 15 73.781 -6.411 -0.225 108 H SER 16 HN SER 16 77.599 -6.879 2.987 109 HA SER 16 HA SER 16 77.777 -9.814 3.551 110 1HB SER 16 2HB SER 16 79.717 -8.978 2.214 111 2HB SER 16 3HB SER 16 80.064 -7.821 3.498 112 HG SER 16 HG SER 16 80.620 -9.445 4.826 113 H ASN 17 HN ASN 17 78.138 -10.369 5.749 114 HA ASN 17 HA ASN 17 77.349 -8.318 7.692 115 1HB ASN 17 2HB ASN 17 77.467 -10.142 9.335 116 2HB ASN 17 3HB ASN 17 76.582 -10.687 7.909 117 1HD2 ASN 17 HD22 ASN 17 78.855 -13.473 8.295 118 2HD2 ASN 17 HD21 ASN 17 77.320 -12.928 8.771 119 H ARG 18 HN ARG 18 78.714 -7.682 9.508 120 HA ARG 18 HA ARG 18 81.398 -7.035 8.786 121 1HB ARG 18 2HB ARG 18 79.985 -7.138 11.460 122 2HB ARG 18 3HB ARG 18 81.637 -6.544 11.269 123 1HG ARG 18 2HG ARG 18 80.814 -4.952 9.537 124 2HG ARG 18 3HG ARG 18 79.166 -5.468 9.894 125 1HD ARG 18 2HD ARG 18 79.801 -4.895 12.363 126 2HD ARG 18 3HD ARG 18 81.079 -3.933 11.620 127 HE ARG 18 HE ARG 18 78.823 -3.144 10.248 128 1HH1 ARG 18 HH21 ARG 18 79.715 -3.504 13.548 129 2HH1 ARG 18 HH22 ARG 18 78.740 -2.186 14.104 130 1HH2 ARG 18 HH11 ARG 18 77.576 -1.389 10.926 131 2HH2 ARG 18 HH12 ARG 18 77.536 -0.966 12.604 132 H ASN 19 HN ASN 19 80.057 -9.770 10.583 133 HA ASN 19 HA ASN 19 82.503 -10.860 11.559 134 1HB ASN 19 2HB ASN 19 79.884 -12.138 10.732 135 2HB ASN 19 3HB ASN 19 81.208 -13.061 11.449 136 1HD2 ASN 19 HD22 ASN 19 80.921 -10.897 14.511 137 2HD2 ASN 19 HD21 ASN 19 82.132 -11.119 13.342 138 H LYS 20 HN LYS 20 80.817 -11.340 8.434 139 HA LYS 20 HA LYS 20 82.742 -13.236 7.423 140 1HB LYS 20 2HB LYS 20 80.457 -12.960 6.450 141 2HB LYS 20 3HB LYS 20 80.941 -11.375 5.843 142 1HG LYS 20 2HG LYS 20 82.676 -12.370 4.463 143 2HG LYS 20 3HG LYS 20 82.361 -13.962 5.160 144 1HD LYS 20 2HD LYS 20 79.998 -13.780 4.279 145 2HD LYS 20 3HD LYS 20 80.500 -12.324 3.424 146 1HE LYS 20 2HE LYS 20 82.338 -13.703 2.356 147 2HE LYS 20 3HE LYS 20 81.568 -15.129 3.052 148 1HZ LYS 20 HZ3 LYS 20 79.800 -13.336 1.619 149 2HZ LYS 20 HZ2 LYS 20 80.955 -14.129 0.660 150 3HZ LYS 20 HZ1 LYS 20 79.874 -15.032 1.609 151 H ALA 21 HN ALA 21 82.454 -9.716 7.273 152 HA ALA 21 HA ALA 21 84.586 -9.259 5.419 153 1HB ALA 21 HB2 ALA 21 83.039 -7.646 7.365 154 2HB ALA 21 HB1 ALA 21 84.651 -7.036 6.994 155 3HB ALA 21 HB3 ALA 21 83.481 -7.280 5.696 156 H GLU 22 HN GLU 22 84.509 -9.883 8.870 157 HA GLU 22 HA GLU 22 87.156 -9.061 9.527 158 1HB GLU 22 2HB GLU 22 85.416 -9.769 11.199 159 2HB GLU 22 3HB GLU 22 85.628 -11.433 10.655 160 1HG GLU 22 2HG GLU 22 88.101 -11.167 11.191 161 2HG GLU 22 3HG GLU 22 87.675 -9.658 11.999 162 H ASN 23 HN ASN 23 85.877 -12.222 8.480 163 HA ASN 23 HA ASN 23 88.359 -13.590 8.353 164 1HB ASN 23 2HB ASN 23 85.830 -13.898 6.708 165 2HB ASN 23 3HB ASN 23 87.186 -15.023 6.625 166 1HD2 ASN 23 HD22 ASN 23 86.683 -16.048 10.121 167 2HD2 ASN 23 HD21 ASN 23 87.963 -15.528 9.136 168 H LEU 24 HN LEU 24 86.703 -11.497 6.022 169 HA LEU 24 HA LEU 24 88.668 -11.874 3.929 170 1HB LEU 24 2HB LEU 24 86.585 -9.734 4.434 171 2HB LEU 24 3HB LEU 24 87.617 -9.756 3.002 172 HG LEU 24 HG LEU 24 85.789 -12.023 3.854 173 1HD1 LEU 24 HD13 LEU 24 85.072 -9.600 2.693 174 2HD1 LEU 24 HD12 LEU 24 85.234 -10.686 1.314 175 3HD1 LEU 24 HD11 LEU 24 84.133 -11.092 2.628 176 1HD2 LEU 24 HD22 LEU 24 87.815 -11.636 1.696 177 2HD2 LEU 24 HD21 LEU 24 87.375 -13.102 2.571 178 3HD2 LEU 24 HD23 LEU 24 86.337 -12.503 1.275 179 H LEU 25 HN LEU 25 88.402 -9.822 6.752 180 HA LEU 25 HA LEU 25 90.721 -8.183 5.857 181 1HB LEU 25 2HB LEU 25 88.986 -7.984 8.345 182 2HB LEU 25 3HB LEU 25 90.252 -6.845 7.883 183 HG LEU 25 HG LEU 25 87.998 -7.481 5.986 184 1HD1 LEU 25 HD13 LEU 25 87.153 -6.711 8.278 185 2HD1 LEU 25 HD12 LEU 25 87.979 -5.188 7.956 186 3HD1 LEU 25 HD11 LEU 25 86.672 -5.722 6.901 187 1HD2 LEU 25 HD23 LEU 25 89.806 -5.079 6.415 188 2HD2 LEU 25 HD22 LEU 25 89.937 -6.257 5.107 189 3HD2 LEU 25 HD21 LEU 25 88.538 -5.184 5.196 190 H ARG 26 HN ARG 26 90.091 -11.019 7.594 191 HA ARG 26 HA ARG 26 92.394 -10.706 9.418 192 1HB ARG 26 2HB ARG 26 91.047 -12.019 10.689 193 2HB ARG 26 3HB ARG 26 89.993 -12.368 9.321 194 1HG ARG 26 2HG ARG 26 91.411 -14.169 8.593 195 2HG ARG 26 3HG ARG 26 92.660 -13.737 9.760 196 1HD ARG 26 2HD ARG 26 90.448 -14.068 11.372 197 2HD ARG 26 3HD ARG 26 90.208 -15.310 10.141 198 HE ARG 26 HE ARG 26 92.845 -15.652 10.848 199 1HH1 ARG 26 HH21 ARG 26 89.862 -15.382 12.566 200 2HH1 ARG 26 HH22 ARG 26 90.357 -16.432 13.851 201 1HH2 ARG 26 HH11 ARG 26 93.500 -17.024 12.518 202 2HH2 ARG 26 HH12 ARG 26 92.418 -17.347 13.832 203 H GLY 27 HN GLY 27 94.394 -11.361 8.837 204 1HA GLY 27 2HA GLY 27 96.080 -12.631 7.793 205 2HA GLY 27 3HA GLY 27 94.830 -13.771 7.286 206 H LYS 28 HN LYS 28 94.359 -10.440 6.553 207 HA LYS 28 HA LYS 28 94.842 -11.081 3.683 208 1HB LYS 28 2HB LYS 28 92.547 -10.286 4.499 209 2HB LYS 28 3HB LYS 28 93.301 -8.717 4.779 210 1HG LYS 28 2HG LYS 28 92.439 -8.502 2.602 211 2HG LYS 28 3HG LYS 28 94.123 -8.934 2.311 212 1HD LYS 28 2HD LYS 28 93.550 -11.231 1.892 213 2HD LYS 28 3HD LYS 28 91.897 -10.984 2.459 214 1HE LYS 28 2HE LYS 28 91.446 -9.493 0.574 215 2HE LYS 28 3HE LYS 28 93.114 -9.649 0.019 216 1HZ LYS 28 HZ3 LYS 28 92.253 -12.217 0.328 217 2HZ LYS 28 HZ2 LYS 28 90.905 -11.426 -0.339 218 3HZ LYS 28 HZ1 LYS 28 92.401 -11.386 -1.144 219 H ARG 29 HN ARG 29 96.558 -10.147 2.729 220 HA ARG 29 HA ARG 29 98.487 -8.631 4.121 221 1HB ARG 29 2HB ARG 29 97.980 -8.785 1.135 222 2HB ARG 29 3HB ARG 29 99.449 -8.149 1.877 223 1HG ARG 29 2HG ARG 29 100.061 -10.253 2.761 224 2HG ARG 29 3HG ARG 29 98.440 -10.912 2.534 225 1HD ARG 29 2HD ARG 29 99.947 -11.812 0.831 226 2HD ARG 29 3HD ARG 29 98.745 -10.767 0.073 227 HE ARG 29 HE ARG 29 100.874 -9.062 0.521 228 1HH1 ARG 29 HH21 ARG 29 100.404 -12.144 -0.946 229 2HH1 ARG 29 HH22 ARG 29 101.692 -11.952 -2.090 230 1HH2 ARG 29 HH11 ARG 29 102.579 -8.794 -0.976 231 2HH2 ARG 29 HH12 ARG 29 102.926 -10.066 -2.099 232 H ASP 30 HN ASP 30 98.954 -6.436 4.220 233 HA ASP 30 HA ASP 30 96.848 -4.554 4.303 234 1HB ASP 30 2HB ASP 30 98.618 -2.840 4.326 235 2HB ASP 30 3HB ASP 30 99.053 -4.199 5.366 236 H GLY 31 HN GLY 31 96.353 -2.772 2.813 237 1HA GLY 31 2HA GLY 31 96.567 -1.683 0.644 238 2HA GLY 31 3HA GLY 31 97.295 -3.163 0.014 239 H THR 32 HN THR 32 95.282 -4.876 1.309 240 HA THR 32 HA THR 32 93.239 -4.700 -0.778 241 HB THR 32 HB THR 32 93.512 -6.610 1.559 242 HG1 THR 32 HG1 THR 32 95.014 -7.422 0.365 243 1HG2 THR 32 HG22 THR 32 91.422 -6.175 -0.388 244 2HG2 THR 32 HG21 THR 32 92.127 -7.778 -0.596 245 3HG2 THR 32 HG23 THR 32 91.460 -7.305 0.967 246 H PHE 33 HN PHE 33 91.281 -3.671 -0.523 247 HA PHE 33 HA PHE 33 90.306 -3.318 2.273 248 1HB PHE 33 2HB PHE 33 90.043 -1.035 2.134 249 2HB PHE 33 3HB PHE 33 91.443 -1.205 1.081 250 HD1 PHE 33 HD1 PHE 33 90.646 -1.923 -1.482 251 HD2 PHE 33 HD2 PHE 33 88.383 0.341 1.383 252 HE1 PHE 33 HE1 PHE 33 89.315 -0.900 -3.308 253 HE2 PHE 33 HE2 PHE 33 87.062 1.343 -0.463 254 HZ PHE 33 HZ PHE 33 87.528 0.719 -2.791 255 H LEU 34 HN LEU 34 87.992 -3.111 2.429 256 HA LEU 34 HA LEU 34 86.625 -4.320 0.065 257 1HB LEU 34 2HB LEU 34 85.371 -4.152 2.785 258 2HB LEU 34 3HB LEU 34 85.129 -5.353 1.523 259 HG LEU 34 HG LEU 34 87.664 -5.053 3.167 260 1HD1 LEU 34 HD12 LEU 34 85.121 -6.431 3.627 261 2HD1 LEU 34 HD11 LEU 34 86.499 -7.536 3.659 262 3HD1 LEU 34 HD13 LEU 34 86.458 -6.144 4.742 263 1HD2 LEU 34 HD23 LEU 34 86.957 -6.542 0.750 264 2HD2 LEU 34 HD22 LEU 34 88.543 -6.268 1.478 265 3HD2 LEU 34 HD21 LEU 34 87.530 -7.594 2.044 266 H VAL 35 HN VAL 35 84.234 -3.741 -0.014 267 HA VAL 35 HA VAL 35 83.577 -1.024 0.900 268 HB VAL 35 HB VAL 35 83.623 -1.815 -2.030 269 1HG1 VAL 35 HG13 VAL 35 81.999 0.139 -0.544 270 2HG1 VAL 35 HG12 VAL 35 82.877 0.836 -1.905 271 3HG1 VAL 35 HG11 VAL 35 81.765 -0.508 -2.166 272 1HG2 VAL 35 HG21 VAL 35 85.010 0.322 -0.395 273 2HG2 VAL 35 HG23 VAL 35 85.768 -1.043 -1.214 274 3HG2 VAL 35 HG22 VAL 35 85.046 0.262 -2.157 275 H ARG 36 HN ARG 36 81.711 -1.504 1.972 276 HA ARG 36 HA ARG 36 79.617 -2.997 0.487 277 1HB ARG 36 2HB ARG 36 79.200 -4.499 2.363 278 2HB ARG 36 3HB ARG 36 80.872 -4.666 1.838 279 1HG ARG 36 2HG ARG 36 81.698 -3.867 3.796 280 2HG ARG 36 3HG ARG 36 80.476 -2.602 3.911 281 1HD ARG 36 2HD ARG 36 78.819 -4.471 4.491 282 2HD ARG 36 3HD ARG 36 80.228 -5.505 4.708 283 HE ARG 36 HE ARG 36 80.760 -3.251 6.256 284 1HH1 ARG 36 HH21 ARG 36 78.286 -5.624 5.946 285 2HH1 ARG 36 HH22 ARG 36 77.786 -5.518 7.601 286 1HH2 ARG 36 HH11 ARG 36 80.132 -3.095 8.424 287 2HH2 ARG 36 HH12 ARG 36 78.829 -4.077 9.003 288 H GLU 37 HN GLU 37 77.562 -3.059 2.141 289 HA GLU 37 HA GLU 37 77.155 -0.224 2.870 290 1HB GLU 37 2HB GLU 37 74.789 -1.065 3.264 291 2HB GLU 37 3HB GLU 37 75.361 -1.226 1.604 292 1HG GLU 37 2HG GLU 37 75.874 -3.558 1.933 293 2HG GLU 37 3HG GLU 37 75.568 -3.431 3.663 294 H SER 38 HN SER 38 75.809 -0.005 5.034 295 HA SER 38 HA SER 38 77.389 -1.329 7.124 296 1HB SER 38 2HB SER 38 74.943 0.468 7.312 297 2HB SER 38 3HB SER 38 75.902 -0.077 8.687 298 HG SER 38 HG SER 38 76.982 1.686 8.257 299 H SER 39 HN SER 39 75.532 -2.575 5.096 300 HA SER 39 HA SER 39 74.111 -4.385 4.956 301 1HB SER 39 2HB SER 39 74.748 -4.689 7.910 302 2HB SER 39 3HB SER 39 74.021 -5.919 6.878 303 HG SER 39 HG SER 39 75.907 -6.287 5.978 304 H LYS 40 HN LYS 40 73.624 -2.631 8.043 305 HA LYS 40 HA LYS 40 70.682 -2.784 7.585 306 1HB LYS 40 2HB LYS 40 71.557 -3.492 9.828 307 2HB LYS 40 3HB LYS 40 72.174 -1.856 10.066 308 1HG LYS 40 2HG LYS 40 69.926 -0.933 9.926 309 2HG LYS 40 3HG LYS 40 69.263 -2.513 9.514 310 1HD LYS 40 2HD LYS 40 70.018 -3.384 11.713 311 2HD LYS 40 3HD LYS 40 70.618 -1.779 12.128 312 1HE LYS 40 2HE LYS 40 68.429 -2.028 13.126 313 2HE LYS 40 3HE LYS 40 68.287 -0.890 11.786 314 1HZ LYS 40 HZ1 LYS 40 67.920 -3.531 10.854 315 2HZ LYS 40 HZ3 LYS 40 66.874 -3.246 12.159 316 3HZ LYS 40 HZ2 LYS 40 66.837 -2.223 10.805 317 H GLN 41 HN GLN 41 69.632 -0.978 6.900 318 HA GLN 41 HA GLN 41 69.195 1.353 6.681 319 1HB GLN 41 2HB GLN 41 70.888 1.433 8.762 320 2HB GLN 41 3HB GLN 41 71.947 2.121 7.532 321 1HG GLN 41 2HG GLN 41 70.397 3.881 7.056 322 2HG GLN 41 3HG GLN 41 69.131 3.112 8.006 323 1HE2 GLN 41 HE22 GLN 41 71.848 3.933 10.778 324 2HE2 GLN 41 HE21 GLN 41 71.884 2.566 9.772 325 H GLY 42 HN GLY 42 70.671 3.279 5.509 326 1HA GLY 42 2HA GLY 42 71.773 1.908 3.102 327 2HA GLY 42 3HA GLY 42 71.037 3.508 3.086 328 H CYS 43 HN CYS 43 73.345 2.460 5.547 329 HA CYS 43 HA CYS 43 75.075 4.719 4.778 330 1HB CYS 43 2HB CYS 43 75.265 2.718 7.049 331 2HB CYS 43 3HB CYS 43 76.374 4.068 6.813 332 HG CYS 43 HG CYS 43 74.406 5.718 7.223 333 H TYR 44 HN TYR 44 77.339 4.431 4.269 334 HA TYR 44 HA TYR 44 77.956 1.707 3.206 335 1HB TYR 44 2HB TYR 44 78.481 4.418 1.971 336 2HB TYR 44 3HB TYR 44 79.230 2.928 1.392 337 HD1 TYR 44 HD2 TYR 44 75.977 4.628 2.001 338 HD2 TYR 44 HD1 TYR 44 78.014 1.391 0.044 339 HE1 TYR 44 HE2 TYR 44 73.923 4.113 0.712 340 HE2 TYR 44 HE1 TYR 44 75.957 0.876 -1.241 341 HH TYR 44 HH TYR 44 73.672 2.716 -1.855 342 H ALA 45 HN ALA 45 80.156 1.031 3.410 343 HA ALA 45 HA ALA 45 82.059 2.898 4.657 344 1HB ALA 45 HB3 ALA 45 80.783 1.994 6.591 345 2HB ALA 45 HB2 ALA 45 81.215 0.359 6.086 346 3HB ALA 45 HB1 ALA 45 82.471 1.481 6.614 347 H CYS 46 HN CYS 46 84.206 2.220 4.305 348 HA CYS 46 HA CYS 46 84.445 -0.292 2.708 349 1HB CYS 46 2HB CYS 46 86.350 2.061 2.597 350 2HB CYS 46 3HB CYS 46 86.253 0.699 1.474 351 HG CYS 46 HG CYS 46 83.907 1.628 0.679 352 H SER 47 HN SER 47 85.641 -1.850 3.622 353 HA SER 47 HA SER 47 87.064 -1.246 6.141 354 1HB SER 47 2HB SER 47 86.642 -3.875 4.692 355 2HB SER 47 3HB SER 47 87.321 -3.697 6.304 356 HG SER 47 HG SER 47 84.703 -3.255 5.387 357 H VAL 48 HN VAL 48 89.265 -1.048 6.270 358 HA VAL 48 HA VAL 48 90.833 -1.951 3.899 359 HB VAL 48 HB VAL 48 91.469 0.188 3.553 360 1HG1 VAL 48 HG13 VAL 48 90.013 0.798 6.142 361 2HG1 VAL 48 HG12 VAL 48 90.604 2.017 5.012 362 3HG1 VAL 48 HG11 VAL 48 89.342 0.890 4.514 363 1HG2 VAL 48 HG21 VAL 48 92.468 0.066 6.422 364 2HG2 VAL 48 HG23 VAL 48 93.392 -0.340 4.978 365 3HG2 VAL 48 HG22 VAL 48 92.888 1.322 5.263 366 H VAL 49 HN VAL 49 92.772 -2.981 4.341 367 HA VAL 49 HA VAL 49 93.251 -3.581 7.226 368 HB VAL 49 HB VAL 49 94.238 -5.113 4.829 369 1HG1 VAL 49 HG12 VAL 49 94.456 -5.341 7.767 370 2HG1 VAL 49 HG11 VAL 49 94.104 -6.845 6.916 371 3HG1 VAL 49 HG13 VAL 49 95.550 -5.916 6.511 372 1HG2 VAL 49 HG21 VAL 49 91.723 -5.012 5.016 373 2HG2 VAL 49 HG23 VAL 49 92.399 -6.636 5.151 374 3HG2 VAL 49 HG22 VAL 49 91.879 -5.772 6.600 375 H VAL 50 HN VAL 50 95.110 -2.781 8.104 376 HA VAL 50 HA VAL 50 97.202 -1.872 6.183 377 HB VAL 50 HB VAL 50 96.039 -0.158 7.711 378 1HG1 VAL 50 HG13 VAL 50 96.345 -1.856 9.680 379 2HG1 VAL 50 HG12 VAL 50 97.947 -1.143 9.807 380 3HG1 VAL 50 HG11 VAL 50 96.514 -0.133 9.995 381 1HG2 VAL 50 HG22 VAL 50 98.735 -0.442 6.843 382 2HG2 VAL 50 HG21 VAL 50 97.867 1.045 7.205 383 3HG2 VAL 50 HG23 VAL 50 98.784 0.238 8.470 384 H ASP 51 HN ASP 51 99.417 -2.040 6.959 385 HA ASP 51 HA ASP 51 100.039 -4.681 7.864 386 1HB ASP 51 2HB ASP 51 101.537 -3.331 6.414 387 2HB ASP 51 3HB ASP 51 101.808 -2.214 7.753 388 H GLY 52 HN GLY 52 98.416 -4.080 9.813 389 1HA GLY 52 2HA GLY 52 99.832 -4.382 12.201 390 2HA GLY 52 3HA GLY 52 99.593 -2.648 12.030 391 H GLU 53 HN GLU 53 96.921 -2.836 10.777 392 HA GLU 53 HA GLU 53 95.311 -4.325 12.742 393 1HB GLU 53 2HB GLU 53 95.881 -2.273 13.963 394 2HB GLU 53 3HB GLU 53 95.240 -1.301 12.631 395 1HG GLU 53 2HG GLU 53 93.027 -2.334 12.936 396 2HG GLU 53 3HG GLU 53 93.654 -3.291 14.277 397 H VAL 54 HN VAL 54 93.210 -4.682 12.076 398 HA VAL 54 HA VAL 54 92.527 -4.007 9.319 399 HB VAL 54 HB VAL 54 90.491 -5.316 9.844 400 1HG1 VAL 54 HG13 VAL 54 93.099 -6.538 10.783 401 2HG1 VAL 54 HG12 VAL 54 91.654 -7.460 10.359 402 3HG1 VAL 54 HG11 VAL 54 92.489 -6.514 9.127 403 1HG2 VAL 54 HG21 VAL 54 91.662 -5.166 12.612 404 2HG2 VAL 54 HG23 VAL 54 90.020 -4.779 12.101 405 3HG2 VAL 54 HG22 VAL 54 90.552 -6.460 12.164 406 H LYS 55 HN LYS 55 91.164 -2.276 8.782 407 HA LYS 55 HA LYS 55 89.943 -0.842 11.099 408 1HB LYS 55 2HB LYS 55 91.163 0.351 8.608 409 2HB LYS 55 3HB LYS 55 90.381 1.261 9.900 410 1HG LYS 55 2HG LYS 55 92.355 1.332 10.967 411 2HG LYS 55 3HG LYS 55 92.242 -0.414 11.189 412 1HD LYS 55 2HD LYS 55 94.281 -0.184 10.055 413 2HD LYS 55 3HD LYS 55 93.154 -0.525 8.740 414 1HE LYS 55 2HE LYS 55 94.061 2.229 9.626 415 2HE LYS 55 3HE LYS 55 94.587 1.395 8.167 416 1HZ LYS 55 HZ3 LYS 55 91.788 2.163 8.797 417 2HZ LYS 55 HZ2 LYS 55 92.811 2.967 7.700 418 3HZ LYS 55 HZ1 LYS 55 92.306 1.376 7.388 419 H HIS 56 HN HIS 56 88.100 0.501 10.583 420 HA HIS 56 HA HIS 56 86.566 -0.507 8.230 421 1HB HIS 56 2HB HIS 56 85.705 0.020 11.068 422 2HB HIS 56 3HB HIS 56 84.538 0.057 9.749 423 HD1 HIS 56 HD1 HIS 56 86.008 -2.241 12.088 424 HD2 HIS 56 HD2 HIS 56 84.781 -2.491 8.119 425 HE1 HIS 56 HE1 HIS 56 85.700 -4.710 11.582 426 H CYS 57 HN CYS 57 86.850 1.209 6.838 427 HA CYS 57 HA CYS 57 86.591 3.971 7.833 428 1HB CYS 57 2HB CYS 57 88.230 3.432 6.046 429 2HB CYS 57 3HB CYS 57 86.899 2.947 4.994 430 HG CYS 57 HG CYS 57 87.276 5.871 6.042 431 H VAL 58 HN VAL 58 84.722 5.066 7.822 432 HA VAL 58 HA VAL 58 82.334 3.716 6.716 433 HB VAL 58 HB VAL 58 82.840 5.878 8.737 434 1HG1 VAL 58 HG12 VAL 58 80.377 5.479 7.068 435 2HG1 VAL 58 HG11 VAL 58 80.198 5.933 8.765 436 3HG1 VAL 58 HG13 VAL 58 81.094 6.979 7.663 437 1HG2 VAL 58 HG21 VAL 58 82.552 3.263 9.075 438 2HG2 VAL 58 HG23 VAL 58 81.823 4.399 10.214 439 3HG2 VAL 58 HG22 VAL 58 80.837 3.657 8.952 440 H ILE 59 HN ILE 59 81.165 4.502 5.037 441 HA ILE 59 HA ILE 59 82.110 7.014 3.741 442 HB ILE 59 HB ILE 59 80.518 4.705 2.586 443 1HG1 ILE 59 HG12 ILE 59 82.860 4.092 3.057 444 2HG1 ILE 59 HG11 ILE 59 82.579 4.202 1.321 445 1HG2 ILE 59 HG23 ILE 59 80.400 7.242 1.718 446 2HG2 ILE 59 HG22 ILE 59 81.870 6.739 0.882 447 3HG2 ILE 59 HG21 ILE 59 80.357 5.869 0.612 448 1HD1 ILE 59 HD12 ILE 59 83.371 6.689 1.640 449 2HD1 ILE 59 HD11 ILE 59 84.102 6.065 3.118 450 3HD1 ILE 59 HD13 ILE 59 84.566 5.395 1.553 451 H ASN 60 HN ASN 60 80.700 8.737 3.814 452 HA ASN 60 HA ASN 60 77.883 8.135 4.644 453 1HB ASN 60 2HB ASN 60 79.662 10.510 5.227 454 2HB ASN 60 3HB ASN 60 77.926 10.508 5.548 455 1HD2 ASN 60 HD22 ASN 60 78.914 7.402 7.705 456 2HD2 ASN 60 HD21 ASN 60 78.392 7.410 6.090 457 H LYS 61 HN LYS 61 76.492 8.422 2.990 458 HA LYS 61 HA LYS 61 77.186 10.385 0.869 459 1HB LYS 61 2HB LYS 61 75.135 8.163 0.988 460 2HB LYS 61 3HB LYS 61 75.279 9.290 -0.362 461 1HG LYS 61 2HG LYS 61 77.841 8.542 -0.213 462 2HG LYS 61 3HG LYS 61 77.114 7.089 0.479 463 1HD LYS 61 2HD LYS 61 75.591 6.964 -1.497 464 2HD LYS 61 3HD LYS 61 76.450 8.335 -2.204 465 1HE LYS 61 2HE LYS 61 77.911 6.861 -3.075 466 2HE LYS 61 3HE LYS 61 78.465 6.541 -1.431 467 1HZ LYS 61 HZ2 LYS 61 76.296 5.053 -1.466 468 2HZ LYS 61 HZ1 LYS 61 76.669 4.993 -3.120 469 3HZ LYS 61 HZ3 LYS 61 77.807 4.468 -1.976 470 H THR 62 HN THR 62 76.271 12.348 0.999 471 HA THR 62 HA THR 62 73.500 12.599 2.051 472 HB THR 62 HB THR 62 74.204 14.626 3.330 473 HG1 THR 62 HG1 THR 62 76.123 15.004 2.147 474 1HG2 THR 62 HG21 THR 62 74.154 12.137 4.187 475 2HG2 THR 62 HG23 THR 62 75.903 12.349 4.288 476 3HG2 THR 62 HG22 THR 62 74.831 13.406 5.207 477 H ALA 63 HN ALA 63 73.871 12.640 -0.594 478 HA ALA 63 HA ALA 63 73.533 13.975 -2.494 479 1HB ALA 63 HB3 ALA 63 72.151 15.228 -0.467 480 2HB ALA 63 HB2 ALA 63 73.232 16.510 -1.020 481 3HB ALA 63 HB1 ALA 63 72.129 15.733 -2.159 482 H THR 64 HN THR 64 75.404 15.640 0.054 483 HA THR 64 HA THR 64 77.403 16.381 -2.051 484 HB THR 64 HB THR 64 76.661 17.841 0.503 485 HG1 THR 64 HG1 THR 64 76.692 19.092 -1.950 486 1HG2 THR 64 HG22 THR 64 78.865 18.328 -1.509 487 2HG2 THR 64 HG21 THR 64 78.347 19.522 -0.321 488 3HG2 THR 64 HG23 THR 64 79.050 17.996 0.212 489 H GLY 65 HN GLY 65 76.797 14.699 0.884 490 1HA GLY 65 2HA GLY 65 79.621 14.638 1.719 491 2HA GLY 65 3HA GLY 65 78.289 13.819 2.527 492 H TYR 66 HN TYR 66 80.544 12.382 2.178 493 HA TYR 66 HA TYR 66 79.656 10.155 0.561 494 1HB TYR 66 2HB TYR 66 82.053 11.760 -0.365 495 2HB TYR 66 3HB TYR 66 81.643 10.155 -0.968 496 HD1 TYR 66 HD1 TYR 66 79.462 9.818 -2.208 497 HD2 TYR 66 HD2 TYR 66 80.915 13.714 -1.121 498 HE1 TYR 66 HE1 TYR 66 77.904 10.856 -3.839 499 HE2 TYR 66 HE2 TYR 66 79.358 14.748 -2.751 500 HH TYR 66 HH TYR 66 77.336 14.261 -3.933 501 H GLY 67 HN GLY 67 81.642 11.640 2.869 502 1HA GLY 67 2HA GLY 67 82.480 10.132 4.685 503 2HA GLY 67 3HA GLY 67 83.001 9.027 3.410 504 H PHE 68 HN PHE 68 84.594 10.528 5.526 505 HA PHE 68 HA PHE 68 86.678 11.622 5.606 506 1HB PHE 68 2HB PHE 68 86.578 10.335 2.938 507 2HB PHE 68 3HB PHE 68 87.725 11.661 3.095 508 HD1 PHE 68 HD1 PHE 68 86.573 8.777 5.223 509 HD2 PHE 68 HD2 PHE 68 89.863 11.045 3.659 510 HE1 PHE 68 HE1 PHE 68 88.164 7.276 6.396 511 HE2 PHE 68 HE2 PHE 68 91.457 9.550 4.826 512 HZ PHE 68 HZ PHE 68 90.606 7.664 6.188 513 H ALA 69 HN ALA 69 84.267 13.152 5.137 514 HA ALA 69 HA ALA 69 84.499 15.021 3.010 515 1HB ALA 69 HB3 ALA 69 82.923 14.754 5.424 516 2HB ALA 69 HB2 ALA 69 83.461 16.423 5.242 517 3HB ALA 69 HB1 ALA 69 82.547 15.647 3.949 518 H GLU 70 HN GLU 70 85.459 17.063 2.921 519 HA GLU 70 HA GLU 70 87.441 17.717 5.055 520 1HB GLU 70 2HB GLU 70 88.376 16.497 2.956 521 2HB GLU 70 3HB GLU 70 88.017 17.984 2.087 522 1HG GLU 70 2HG GLU 70 89.507 19.250 3.525 523 2HG GLU 70 3HG GLU 70 89.772 17.839 4.554 524 HA PRO 71 HA PRO 71 85.767 21.863 5.196 525 1HB PRO 71 2HB PRO 71 88.372 22.723 4.014 526 2HB PRO 71 3HB PRO 71 87.527 23.333 5.447 527 1HG PRO 71 2HG PRO 71 89.633 21.477 5.410 528 2HG PRO 71 3HG PRO 71 88.610 21.894 6.791 529 1HD PRO 71 2HD PRO 71 88.709 19.388 5.529 530 2HD PRO 71 3HD PRO 71 87.445 19.928 6.646 531 H TYR 72 HN TYR 72 87.342 20.655 2.305 532 HA TYR 72 HA TYR 72 85.393 22.217 0.668 533 1HB TYR 72 2HB TYR 72 87.046 22.292 -1.150 534 2HB TYR 72 3HB TYR 72 87.742 23.019 0.296 535 HD1 TYR 72 HD2 TYR 72 89.346 21.706 1.708 536 HD2 TYR 72 HD1 TYR 72 87.972 20.301 -2.114 537 HE1 TYR 72 HE2 TYR 72 91.232 20.090 1.618 538 HE2 TYR 72 HE1 TYR 72 89.852 18.685 -2.196 539 HH TYR 72 HH TYR 72 91.874 18.174 -1.268 540 H ASN 73 HN ASN 73 84.357 20.030 1.531 541 HA ASN 73 HA ASN 73 85.025 17.483 0.697 542 1HB ASN 73 2HB ASN 73 82.260 18.724 0.664 543 2HB ASN 73 3HB ASN 73 82.579 16.992 0.589 544 1HD2 ASN 73 HD22 ASN 73 82.314 18.574 4.181 545 2HD2 ASN 73 HD21 ASN 73 81.546 19.135 2.775 546 H LEU 74 HN LEU 74 84.812 16.256 -1.185 547 HA LEU 74 HA LEU 74 83.581 17.359 -3.583 548 1HB LEU 74 2HB LEU 74 85.648 18.690 -3.520 549 2HB LEU 74 3HB LEU 74 86.603 17.210 -3.431 550 HG LEU 74 HG LEU 74 85.620 16.489 -5.606 551 1HD1 LEU 74 HD11 LEU 74 84.293 19.185 -5.354 552 2HD1 LEU 74 HD13 LEU 74 84.570 18.452 -6.932 553 3HD1 LEU 74 HD12 LEU 74 83.560 17.630 -5.745 554 1HD2 LEU 74 HD21 LEU 74 87.121 19.113 -5.442 555 2HD2 LEU 74 HD23 LEU 74 87.775 17.500 -5.743 556 3HD2 LEU 74 HD22 LEU 74 86.807 18.304 -6.979 557 H TYR 75 HN TYR 75 82.574 15.251 -3.525 558 HA TYR 75 HA TYR 75 84.259 13.160 -4.777 559 1HB TYR 75 2HB TYR 75 82.621 12.721 -2.261 560 2HB TYR 75 3HB TYR 75 83.337 11.427 -3.225 561 HD1 TYR 75 HD1 TYR 75 85.767 11.110 -3.320 562 HD2 TYR 75 HD2 TYR 75 84.028 14.252 -0.959 563 HE1 TYR 75 HE1 TYR 75 87.939 11.454 -2.174 564 HE2 TYR 75 HE2 TYR 75 86.201 14.592 0.189 565 HH TYR 75 HH TYR 75 88.267 13.169 0.666 566 H SER 76 HN SER 76 82.993 13.688 -6.662 567 HA SER 76 HA SER 76 80.120 13.646 -6.685 568 1HB SER 76 2HB SER 76 80.303 13.638 -9.081 569 2HB SER 76 3HB SER 76 81.635 14.623 -8.482 570 HG SER 76 HG SER 76 81.711 11.896 -9.297 571 H SER 77 HN SER 77 82.566 11.139 -7.348 572 HA SER 77 HA SER 77 80.343 9.151 -7.177 573 1HB SER 77 2HB SER 77 82.665 9.209 -9.112 574 2HB SER 77 3HB SER 77 81.596 7.822 -8.902 575 HG SER 77 HG SER 77 80.526 8.890 -10.407 576 H LEU 78 HN LEU 78 80.928 7.068 -6.419 577 HA LEU 78 HA LEU 78 82.821 7.027 -4.259 578 1HB LEU 78 2HB LEU 78 81.296 4.870 -5.738 579 2HB LEU 78 3HB LEU 78 82.324 4.527 -4.343 580 HG LEU 78 HG LEU 78 80.050 6.531 -4.335 581 1HD1 LEU 78 HD13 LEU 78 80.123 3.613 -3.966 582 2HD1 LEU 78 HD12 LEU 78 79.376 4.475 -2.619 583 3HD1 LEU 78 HD11 LEU 78 78.747 4.677 -4.257 584 1HD2 LEU 78 HD23 LEU 78 82.155 5.660 -2.424 585 2HD2 LEU 78 HD22 LEU 78 81.330 7.213 -2.558 586 3HD2 LEU 78 HD21 LEU 78 80.537 5.860 -1.755 587 H LYS 79 HN LYS 79 82.959 6.088 -7.646 588 HA LYS 79 HA LYS 79 85.329 4.513 -7.554 589 1HB LYS 79 2HB LYS 79 84.221 6.311 -9.726 590 2HB LYS 79 3HB LYS 79 85.595 5.232 -9.957 591 1HG LYS 79 2HG LYS 79 84.215 3.291 -9.420 592 2HG LYS 79 3HG LYS 79 82.845 4.340 -9.050 593 1HD LYS 79 2HD LYS 79 82.436 3.624 -11.268 594 2HD LYS 79 3HD LYS 79 83.111 5.242 -11.445 595 1HE LYS 79 2HE LYS 79 85.325 4.300 -11.911 596 2HE LYS 79 3HE LYS 79 84.703 2.669 -11.661 597 1HZ LYS 79 HZ1 LYS 79 83.403 4.433 -13.613 598 2HZ LYS 79 HZ3 LYS 79 84.839 3.643 -14.044 599 3HZ LYS 79 HZ2 LYS 79 83.477 2.737 -13.581 600 H GLU 80 HN GLU 80 84.854 8.034 -7.872 601 HA GLU 80 HA GLU 80 87.610 8.695 -8.254 602 1HB GLU 80 2HB GLU 80 85.336 10.281 -7.014 603 2HB GLU 80 3HB GLU 80 86.932 10.951 -7.357 604 1HG GLU 80 2HG GLU 80 86.695 10.497 -9.716 605 2HG GLU 80 3HG GLU 80 85.202 9.603 -9.436 606 H LEU 81 HN LEU 81 85.630 8.401 -5.305 607 HA LEU 81 HA LEU 81 87.660 9.179 -3.467 608 1HB LEU 81 2HB LEU 81 85.255 8.937 -2.862 609 2HB LEU 81 3HB LEU 81 85.418 7.187 -3.004 610 HG LEU 81 HG LEU 81 87.233 8.793 -1.195 611 1HD1 LEU 81 HD12 LEU 81 84.396 8.014 -0.791 612 2HD1 LEU 81 HD11 LEU 81 85.491 7.662 0.545 613 3HD1 LEU 81 HD13 LEU 81 85.322 9.316 -0.044 614 1HD2 LEU 81 HD21 LEU 81 86.737 5.951 -1.808 615 2HD2 LEU 81 HD23 LEU 81 88.164 6.722 -1.121 616 3HD2 LEU 81 HD22 LEU 81 86.800 6.312 -0.085 617 H VAL 82 HN VAL 82 86.799 5.965 -4.757 618 HA VAL 82 HA VAL 82 88.813 4.588 -3.204 619 HB VAL 82 HB VAL 82 87.400 3.751 -5.753 620 1HG1 VAL 82 HG12 VAL 82 89.005 2.179 -3.723 621 2HG1 VAL 82 HG11 VAL 82 88.027 1.457 -4.999 622 3HG1 VAL 82 HG13 VAL 82 89.430 2.444 -5.415 623 1HG2 VAL 82 HG23 VAL 82 85.910 4.233 -3.818 624 2HG2 VAL 82 HG22 VAL 82 85.925 2.518 -4.231 625 3HG2 VAL 82 HG21 VAL 82 86.846 3.097 -2.845 626 H LEU 83 HN LEU 83 88.735 6.004 -6.452 627 HA LEU 83 HA LEU 83 91.290 4.984 -7.280 628 1HB LEU 83 2HB LEU 83 89.692 7.401 -8.164 629 2HB LEU 83 3HB LEU 83 91.204 6.910 -8.929 630 HG LEU 83 HG LEU 83 88.783 5.106 -8.653 631 1HD1 LEU 83 HD13 LEU 83 88.452 7.146 -10.117 632 2HD1 LEU 83 HD12 LEU 83 89.787 6.566 -11.112 633 3HD1 LEU 83 HD11 LEU 83 88.313 5.608 -10.970 634 1HD2 LEU 83 HD21 LEU 83 91.507 4.878 -9.910 635 2HD2 LEU 83 HD23 LEU 83 90.637 3.701 -8.928 636 3HD2 LEU 83 HD22 LEU 83 90.153 3.987 -10.598 637 H HIS 84 HN HIS 84 90.283 8.035 -5.732 638 HA HIS 84 HA HIS 84 92.916 9.204 -5.726 639 1HB HIS 84 2HB HIS 84 90.481 9.745 -4.004 640 2HB HIS 84 3HB HIS 84 91.942 10.735 -3.993 641 HD1 HIS 84 HD1 HIS 84 92.661 11.240 -6.772 642 HD2 HIS 84 HD2 HIS 84 88.650 10.949 -5.667 643 HE1 HIS 84 HE1 HIS 84 91.328 12.368 -8.607 644 H TYR 85 HN TYR 85 91.153 7.246 -3.359 645 HA TYR 85 HA TYR 85 93.111 7.550 -1.263 646 1HB TYR 85 2HB TYR 85 90.787 5.730 -1.750 647 2HB TYR 85 3HB TYR 85 91.875 5.442 -0.396 648 HD1 TYR 85 HD2 TYR 85 90.498 8.552 -1.980 649 HD2 TYR 85 HD1 TYR 85 90.931 6.199 1.589 650 HE1 TYR 85 HE2 TYR 85 89.343 10.316 -0.679 651 HE2 TYR 85 HE1 TYR 85 89.773 7.969 2.890 652 HH TYR 85 HH TYR 85 87.978 10.379 1.508 653 H GLN 86 HN GLN 86 93.075 5.524 -4.089 654 HA GLN 86 HA GLN 86 94.770 3.470 -2.873 655 1HB GLN 86 2HB GLN 86 95.114 2.668 -5.192 656 2HB GLN 86 3HB GLN 86 93.401 2.883 -4.838 657 1HG GLN 86 2HG GLN 86 93.179 4.511 -6.385 658 2HG GLN 86 3HG GLN 86 94.677 5.301 -5.903 659 1HE2 GLN 86 HE22 GLN 86 96.474 2.691 -8.001 660 2HE2 GLN 86 HE21 GLN 86 96.380 2.929 -6.322 661 H HIS 87 HN HIS 87 95.184 6.551 -4.388 662 HA HIS 87 HA HIS 87 98.101 6.127 -4.679 663 1HB HIS 87 2HB HIS 87 96.801 7.248 -6.497 664 2HB HIS 87 3HB HIS 87 96.415 8.552 -5.372 665 HD1 HIS 87 HD1 HIS 87 99.520 6.798 -6.730 666 HD2 HIS 87 HD2 HIS 87 98.318 10.557 -5.390 667 HE1 HIS 87 HE1 HIS 87 101.490 8.353 -7.095 668 H THR 88 HN THR 88 95.835 7.406 -2.453 669 HA THR 88 HA THR 88 97.934 9.085 -1.168 670 HB THR 88 HB THR 88 94.953 8.940 -0.592 671 HG1 THR 88 HG1 THR 88 94.812 10.249 -2.207 672 1HG2 THR 88 HG22 THR 88 97.196 10.690 0.440 673 2HG2 THR 88 HG21 THR 88 95.499 11.162 0.553 674 3HG2 THR 88 HG23 THR 88 96.068 9.709 1.376 675 H SER 89 HN SER 89 98.692 8.590 0.846 676 HA SER 89 HA SER 89 98.170 5.845 1.752 677 1HB SER 89 2HB SER 89 100.147 6.068 3.021 678 2HB SER 89 3HB SER 89 100.463 6.995 1.555 679 HG SER 89 HG SER 89 100.471 8.774 2.691 680 H LEU 90 HN LEU 90 97.067 5.300 3.559 681 HA LEU 90 HA LEU 90 95.386 7.254 4.862 682 1HB LEU 90 2HB LEU 90 96.010 4.354 5.456 683 2HB LEU 90 3HB LEU 90 94.876 5.303 6.417 684 HG LEU 90 HG LEU 90 94.639 5.016 3.410 685 1HD1 LEU 90 HD11 LEU 90 93.850 3.228 5.635 686 2HD1 LEU 90 HD13 LEU 90 92.600 3.543 4.430 687 3HD1 LEU 90 HD12 LEU 90 94.145 2.845 3.939 688 1HD2 LEU 90 HD21 LEU 90 92.944 6.130 5.639 689 2HD2 LEU 90 HD23 LEU 90 93.362 6.874 4.095 690 3HD2 LEU 90 HD22 LEU 90 92.191 5.556 4.151 691 H VAL 91 HN VAL 91 98.652 6.432 5.330 692 HA VAL 91 HA VAL 91 99.286 6.346 7.972 693 HB VAL 91 HB VAL 91 100.885 6.850 6.040 694 1HG1 VAL 91 HG11 VAL 91 99.466 8.997 5.520 695 2HG1 VAL 91 HG13 VAL 91 100.484 9.734 6.757 696 3HG1 VAL 91 HG12 VAL 91 101.215 9.036 5.313 697 1HG2 VAL 91 HG23 VAL 91 101.014 7.594 8.836 698 2HG2 VAL 91 HG22 VAL 91 102.282 6.939 7.804 699 3HG2 VAL 91 HG21 VAL 91 102.010 8.680 7.864 700 H GLN 92 HN GLN 92 97.980 9.250 6.362 701 HA GLN 92 HA GLN 92 98.138 10.867 8.766 702 1HB GLN 92 2HB GLN 92 96.566 11.276 6.210 703 2HB GLN 92 3HB GLN 92 96.732 12.475 7.489 704 1HG GLN 92 2HG GLN 92 99.166 12.502 7.188 705 2HG GLN 92 3HG GLN 92 99.036 11.251 5.948 706 1HE2 GLN 92 HE22 GLN 92 99.042 14.073 3.746 707 2HE2 GLN 92 HE21 GLN 92 100.021 12.866 4.429 708 H HIS 93 HN HIS 93 96.011 8.360 7.953 709 HA HIS 93 HA HIS 93 93.503 9.406 8.836 710 1HB HIS 93 2HB HIS 93 93.751 7.156 7.800 711 2HB HIS 93 3HB HIS 93 94.592 6.602 9.248 712 HD1 HIS 93 HD1 HIS 93 93.154 5.817 11.177 713 HD2 HIS 93 HD2 HIS 93 90.969 8.012 8.387 714 HE1 HIS 93 HE1 HIS 93 90.731 5.710 11.919 715 H ASN 94 HN ASN 94 96.172 7.901 10.568 716 HA ASN 94 HA ASN 94 95.387 9.312 13.035 717 1HB ASN 94 2HB ASN 94 94.360 6.879 12.861 718 2HB ASN 94 3HB ASN 94 96.006 6.374 13.253 719 1HD2 ASN 94 HD22 ASN 94 95.532 7.042 16.660 720 2HD2 ASN 94 HD21 ASN 94 96.314 6.131 15.461 721 H ASP 95 HN ASP 95 97.543 9.076 10.881 722 HA ASP 95 HA ASP 95 99.860 9.342 10.783 723 1HB ASP 95 2HB ASP 95 99.375 10.795 12.822 724 2HB ASP 95 3HB ASP 95 99.805 9.399 13.810 725 H SER 96 HN SER 96 98.749 6.711 10.765 726 HA SER 96 HA SER 96 101.140 5.185 11.320 727 1HB SER 96 2HB SER 96 98.724 4.776 13.099 728 2HB SER 96 3HB SER 96 100.033 3.604 12.941 729 HG SER 96 HG SER 96 100.091 5.319 14.683 730 H LEU 97 HN LEU 97 98.368 5.730 9.661 731 HA LEU 97 HA LEU 97 98.002 2.858 8.937 732 1HB LEU 97 2HB LEU 97 96.334 5.240 8.067 733 2HB LEU 97 3HB LEU 97 95.908 3.535 7.930 734 HG LEU 97 HG LEU 97 94.742 4.367 9.854 735 1HD1 LEU 97 HD11 LEU 97 96.230 2.195 10.022 736 2HD1 LEU 97 HD13 LEU 97 97.169 3.164 11.158 737 3HD1 LEU 97 HD12 LEU 97 95.464 2.843 11.468 738 1HD2 LEU 97 HD21 LEU 97 96.794 6.216 9.967 739 2HD2 LEU 97 HD23 LEU 97 95.529 6.025 11.175 740 3HD2 LEU 97 HD22 LEU 97 97.086 5.230 11.398 741 H ASN 98 HN ASN 98 100.307 3.354 7.987 742 HA ASN 98 HA ASN 98 100.304 4.894 5.521 743 1HB ASN 98 2HB ASN 98 102.625 4.103 5.292 744 2HB ASN 98 3HB ASN 98 102.310 4.750 6.906 745 1HD2 ASN 98 HD22 ASN 98 104.030 1.557 7.533 746 2HD2 ASN 98 HD21 ASN 98 104.419 3.111 6.971 747 H VAL 99 HN VAL 99 98.427 3.615 4.693 748 HA VAL 99 HA VAL 99 99.475 1.551 2.863 749 HB VAL 99 HB VAL 99 98.660 0.232 4.754 750 1HG1 VAL 99 HG13 VAL 99 97.128 2.114 5.546 751 2HG1 VAL 99 HG12 VAL 99 95.985 1.582 4.321 752 3HG1 VAL 99 HG11 VAL 99 96.438 0.492 5.630 753 1HG2 VAL 99 HG21 VAL 99 98.045 -0.263 2.223 754 2HG2 VAL 99 HG23 VAL 99 97.338 -1.232 3.513 755 3HG2 VAL 99 HG22 VAL 99 96.404 0.070 2.779 756 H THR 100 HN THR 100 97.995 1.198 1.089 757 HA THR 100 HA THR 100 96.026 3.419 0.756 758 HB THR 100 HB THR 100 96.654 3.504 -1.606 759 HG1 THR 100 HG1 THR 100 98.088 2.082 -2.451 760 1HG2 THR 100 HG23 THR 100 98.574 3.893 0.575 761 2HG2 THR 100 HG22 THR 100 99.346 3.695 -0.997 762 3HG2 THR 100 HG21 THR 100 98.153 4.971 -0.754 763 H LEU 101 HN LEU 101 94.114 2.836 -0.410 764 HA LEU 101 HA LEU 101 93.523 -0.050 -0.204 765 1HB LEU 101 2HB LEU 101 91.189 0.744 -0.907 766 2HB LEU 101 3HB LEU 101 91.768 1.304 0.651 767 HG LEU 101 HG LEU 101 92.564 3.409 -0.570 768 1HD1 LEU 101 HD11 LEU 101 90.932 2.030 -2.702 769 2HD1 LEU 101 HD13 LEU 101 91.080 3.784 -2.670 770 3HD1 LEU 101 HD12 LEU 101 92.517 2.784 -2.856 771 1HD2 LEU 101 HD21 LEU 101 89.827 2.528 0.112 772 2HD2 LEU 101 HD23 LEU 101 90.703 3.961 0.640 773 3HD2 LEU 101 HD22 LEU 101 89.893 3.947 -0.927 774 H ALA 102 HN ALA 102 95.427 0.413 -2.085 775 HA ALA 102 HA ALA 102 94.255 0.727 -4.740 776 1HB ALA 102 HB3 ALA 102 96.613 1.414 -4.016 777 2HB ALA 102 HB2 ALA 102 97.018 -0.299 -4.105 778 3HB ALA 102 HB1 ALA 102 96.481 0.557 -5.553 779 H TYR 103 HN TYR 103 94.336 -1.895 -2.613 780 HA TYR 103 HA TYR 103 94.431 -3.780 -4.922 781 1HB TYR 103 2HB TYR 103 94.980 -4.206 -1.991 782 2HB TYR 103 3HB TYR 103 94.822 -5.531 -3.131 783 HD1 TYR 103 HD2 TYR 103 96.852 -2.621 -2.126 784 HD2 TYR 103 HD1 TYR 103 96.507 -5.924 -4.846 785 HE1 TYR 103 HE2 TYR 103 99.217 -2.311 -2.796 786 HE2 TYR 103 HE1 TYR 103 98.873 -5.620 -5.522 787 HH TYR 103 HH TYR 103 100.606 -3.988 -5.495 788 HA PRO 104 HA PRO 104 90.013 -4.112 -4.058 789 1HB PRO 104 2HB PRO 104 89.506 -5.896 -6.091 790 2HB PRO 104 3HB PRO 104 89.591 -4.139 -6.302 791 1HG PRO 104 2HG PRO 104 91.527 -6.224 -7.022 792 2HG PRO 104 3HG PRO 104 91.248 -4.636 -7.745 793 1HD PRO 104 2HD PRO 104 93.364 -5.292 -6.056 794 2HD PRO 104 3HD PRO 104 92.822 -3.644 -6.424 795 H VAL 105 HN VAL 105 88.736 -5.649 -3.034 796 HA VAL 105 HA VAL 105 90.117 -7.986 -1.968 797 HB VAL 105 HB VAL 105 88.575 -6.540 -0.650 798 1HG1 VAL 105 HG13 VAL 105 86.736 -7.314 -2.789 799 2HG1 VAL 105 HG12 VAL 105 86.073 -7.619 -1.191 800 3HG1 VAL 105 HG11 VAL 105 86.612 -6.000 -1.630 801 1HG2 VAL 105 HG22 VAL 105 88.390 -9.492 -0.885 802 2HG2 VAL 105 HG21 VAL 105 88.826 -8.500 0.505 803 3HG2 VAL 105 HG23 VAL 105 87.131 -8.713 0.069 804 H TYR 106 HN TYR 106 87.804 -7.360 -4.518 805 HA TYR 106 HA TYR 106 87.455 -10.300 -4.874 806 1HB TYR 106 2HB TYR 106 85.625 -8.007 -5.223 807 2HB TYR 106 3HB TYR 106 85.540 -9.244 -6.477 808 HD1 TYR 106 HD2 TYR 106 86.189 -9.421 -2.783 809 HD2 TYR 106 HD1 TYR 106 83.729 -10.650 -6.079 810 HE1 TYR 106 HE2 TYR 106 84.894 -10.891 -1.266 811 HE2 TYR 106 HE1 TYR 106 82.436 -12.123 -4.566 812 HH TYR 106 HH TYR 106 82.195 -11.879 -1.535 813 H ALA 107 HN ALA 107 89.827 -9.286 -5.822 814 HA ALA 107 HA ALA 107 89.511 -8.579 -8.650 815 1HB ALA 107 HB2 ALA 107 91.617 -8.447 -6.735 816 2HB ALA 107 HB1 ALA 107 92.160 -9.514 -8.026 817 3HB ALA 107 HB3 ALA 107 91.644 -7.876 -8.407 818 H GLN 108 HN GLN 108 88.438 -10.329 -9.630 819 HA GLN 108 HA GLN 108 89.056 -13.089 -9.162 820 1HB GLN 108 2HB GLN 108 86.933 -12.348 -10.189 821 2HB GLN 108 3HB GLN 108 87.815 -11.789 -11.608 822 1HG GLN 108 2HG GLN 108 86.992 -13.952 -12.182 823 2HG GLN 108 3HG GLN 108 88.704 -14.186 -11.811 824 1HE2 GLN 108 HE22 GLN 108 88.055 -16.348 -9.107 825 2HE2 GLN 108 HE21 GLN 108 89.197 -15.677 -10.171 826 H GLN 109 HN GLN 109 90.235 -10.734 -11.504 827 HA GLN 109 HA GLN 109 91.702 -12.490 -13.178 828 1HB GLN 109 2HB GLN 109 91.238 -10.113 -13.697 829 2HB GLN 109 3HB GLN 109 92.363 -9.634 -12.426 830 1HG GLN 109 2HG GLN 109 93.587 -9.572 -14.492 831 2HG GLN 109 3HG GLN 109 94.134 -10.991 -13.601 832 1HE2 GLN 109 HE22 GLN 109 91.811 -11.575 -16.952 833 2HE2 GLN 109 HE21 GLN 109 91.695 -10.099 -16.123 834 H ARG 110 HN ARG 110 92.708 -10.828 -10.182 835 HA ARG 110 HA ARG 110 95.423 -11.865 -10.323 836 1HB ARG 110 2HB ARG 110 93.905 -10.761 -7.945 837 2HB ARG 110 3HB ARG 110 95.652 -10.969 -8.055 838 1HG ARG 110 2HG ARG 110 94.093 -9.265 -10.011 839 2HG ARG 110 3HG ARG 110 94.793 -8.611 -8.529 840 1HD ARG 110 2HD ARG 110 97.017 -9.559 -9.272 841 2HD ARG 110 3HD ARG 110 96.268 -9.940 -10.817 842 HE ARG 110 HE ARG 110 95.722 -7.232 -10.389 843 1HH1 ARG 110 HH21 ARG 110 98.460 -9.312 -10.573 844 2HH1 ARG 110 HH22 ARG 110 99.527 -8.084 -11.163 845 1HH2 ARG 110 HH11 ARG 110 97.089 -5.605 -11.148 846 2HH2 ARG 110 HH12 ARG 110 98.753 -5.967 -11.467 847 H ARG 111 HN ARG 111 92.389 -12.940 -8.967 848 HA ARG 111 HA ARG 111 91.780 -14.952 -7.948 849 1HB ARG 111 2HB ARG 111 93.021 -15.868 -9.954 850 2HB ARG 111 3HB ARG 111 94.452 -15.989 -8.928 851 1HG ARG 111 2HG ARG 111 93.073 -17.356 -7.311 852 2HG ARG 111 3HG ARG 111 91.792 -17.374 -8.522 853 1HD ARG 111 2HD ARG 111 94.595 -18.479 -8.848 854 2HD ARG 111 3HD ARG 111 93.103 -19.411 -8.738 855 HE ARG 111 HE ARG 111 92.705 -17.694 -10.899 856 1HH1 ARG 111 HH21 ARG 111 94.963 -20.104 -9.904 857 2HH1 ARG 111 HH22 ARG 111 95.438 -20.511 -11.521 858 1HH2 ARG 111 HH11 ARG 111 93.283 -18.243 -13.007 859 2HH2 ARG 111 HH12 ARG 111 94.479 -19.466 -13.276 No H/Q in entry = 859 Start of MODEL 7 1 1H GLU 1 HT3 GLU 1 94.959 -2.797 -18.567 2 2H GLU 1 HT2 GLU 1 96.005 -4.132 -18.692 3 3H GLU 1 HT1 GLU 1 95.000 -3.959 -17.332 4 HA GLU 1 HA GLU 1 97.173 -3.325 -16.669 5 1HB GLU 1 2HB GLU 1 97.981 -2.905 -19.012 6 2HB GLU 1 3HB GLU 1 97.104 -1.374 -18.994 7 1HG GLU 1 2HG GLU 1 98.439 -0.595 -17.088 8 2HG GLU 1 3HG GLU 1 99.282 -2.144 -17.022 9 H ASP 2 HN ASP 2 94.209 -1.863 -17.362 10 HA ASP 2 HA ASP 2 94.681 0.657 -15.955 11 1HB ASP 2 2HB ASP 2 92.263 0.973 -16.117 12 2HB ASP 2 3HB ASP 2 92.875 0.394 -17.662 13 H LEU 3 HN LEU 3 93.254 1.135 -13.961 14 HA LEU 3 HA LEU 3 93.954 -0.766 -11.898 15 1HB LEU 3 2HB LEU 3 92.227 1.727 -11.899 16 2HB LEU 3 3HB LEU 3 92.579 0.801 -10.443 17 HG LEU 3 HG LEU 3 94.156 2.691 -10.698 18 1HD1 LEU 3 HD11 LEU 3 94.794 0.223 -9.908 19 2HD1 LEU 3 HD13 LEU 3 95.818 0.285 -11.342 20 3HD1 LEU 3 HD12 LEU 3 96.023 1.477 -10.058 21 1HD2 LEU 3 HD22 LEU 3 93.969 2.486 -13.290 22 2HD2 LEU 3 HD21 LEU 3 95.520 2.956 -12.600 23 3HD2 LEU 3 HD23 LEU 3 95.263 1.296 -13.136 24 HA PRO 4 HA PRO 4 90.341 -3.341 -12.275 25 1HB PRO 4 2HB PRO 4 90.436 -4.528 -9.798 26 2HB PRO 4 3HB PRO 4 91.502 -4.971 -11.143 27 1HG PRO 4 2HG PRO 4 92.060 -3.295 -8.762 28 2HG PRO 4 3HG PRO 4 93.119 -4.412 -9.636 29 1HD PRO 4 2HD PRO 4 93.225 -1.670 -9.903 30 2HD PRO 4 3HD PRO 4 93.780 -2.814 -11.149 31 H HIS 5 HN HIS 5 90.577 -0.682 -10.341 32 HA HIS 5 HA HIS 5 88.306 -0.901 -8.619 33 1HB HIS 5 2HB HIS 5 89.755 1.462 -9.821 34 2HB HIS 5 3HB HIS 5 88.456 1.629 -8.641 35 HD1 HIS 5 HD1 HIS 5 90.521 2.676 -7.169 36 HD2 HIS 5 HD2 HIS 5 90.593 -1.439 -7.828 37 HE1 HIS 5 HE1 HIS 5 92.135 1.708 -5.475 38 H HIS 6 HN HIS 6 88.613 -0.326 -12.033 39 HA HIS 6 HA HIS 6 86.215 1.110 -12.536 40 1HB HIS 6 2HB HIS 6 87.691 -0.952 -14.196 41 2HB HIS 6 3HB HIS 6 86.288 -0.070 -14.798 42 HD1 HIS 6 HD1 HIS 6 86.607 2.722 -14.345 43 HD2 HIS 6 HD2 HIS 6 90.007 0.362 -14.846 44 HE1 HIS 6 HE1 HIS 6 88.486 4.298 -14.982 45 H ASP 7 HN ASP 7 86.737 -2.189 -11.597 46 HA ASP 7 HA ASP 7 83.906 -2.868 -12.195 47 1HB ASP 7 2HB ASP 7 86.275 -4.618 -11.491 48 2HB ASP 7 3HB ASP 7 84.645 -5.211 -11.798 49 H GLU 8 HN GLU 8 82.480 -3.197 -10.528 50 HA GLU 8 HA GLU 8 83.239 -2.434 -7.843 51 1HB GLU 8 2HB GLU 8 80.702 -3.562 -9.043 52 2HB GLU 8 3HB GLU 8 80.848 -3.205 -7.327 53 1HG GLU 8 2HG GLU 8 81.271 -0.887 -7.741 54 2HG GLU 8 3HG GLU 8 81.484 -1.173 -9.470 55 H LYS 9 HN LYS 9 82.881 -5.497 -9.493 56 HA LYS 9 HA LYS 9 82.696 -7.212 -7.227 57 1HB LYS 9 2HB LYS 9 83.861 -7.612 -9.990 58 2HB LYS 9 3HB LYS 9 83.811 -8.910 -8.795 59 1HG LYS 9 2HG LYS 9 81.693 -9.326 -9.402 60 2HG LYS 9 3HG LYS 9 81.240 -7.735 -8.811 61 1HD LYS 9 2HD LYS 9 82.347 -8.239 -11.580 62 2HD LYS 9 3HD LYS 9 80.623 -8.117 -11.220 63 1HE LYS 9 2HE LYS 9 81.216 -5.849 -10.119 64 2HE LYS 9 3HE LYS 9 82.745 -5.986 -10.985 65 1HZ LYS 9 HZ3 LYS 9 80.094 -6.183 -12.296 66 2HZ LYS 9 HZ2 LYS 9 80.989 -4.742 -12.186 67 3HZ LYS 9 HZ1 LYS 9 81.610 -6.067 -13.051 68 H THR 10 HN THR 10 85.445 -5.599 -8.688 69 HA THR 10 HA THR 10 87.463 -7.144 -7.355 70 HB THR 10 HB THR 10 88.910 -5.134 -7.930 71 HG1 THR 10 HG1 THR 10 87.433 -3.907 -9.601 72 1HG2 THR 10 HG21 THR 10 87.406 -6.888 -9.740 73 2HG2 THR 10 HG23 THR 10 88.026 -5.433 -10.516 74 3HG2 THR 10 HG22 THR 10 89.132 -6.528 -9.700 75 H TRP 11 HN TRP 11 85.586 -4.316 -6.318 76 HA TRP 11 HA TRP 11 86.905 -4.578 -3.643 77 1HB TRP 11 2HB TRP 11 86.316 -1.971 -3.595 78 2HB TRP 11 3HB TRP 11 87.833 -2.557 -4.281 79 HD1 TRP 11 HD1 TRP 11 87.817 -3.013 -6.958 80 HE1 TRP 11 HE1 TRP 11 86.593 -1.760 -8.852 81 HE3 TRP 11 HE3 TRP 11 84.332 -0.548 -4.198 82 HZ2 TRP 11 HZ2 TRP 11 84.386 0.113 -9.122 83 HZ3 TRP 11 HZ3 TRP 11 82.693 0.968 -5.276 84 HH2 TRP 11 HH2 TRP 11 82.715 1.303 -7.730 85 H ASN 12 HN ASN 12 83.983 -4.718 -5.314 86 HA ASN 12 HA ASN 12 82.422 -3.601 -3.048 87 1HB ASN 12 2HB ASN 12 81.853 -3.090 -5.449 88 2HB ASN 12 3HB ASN 12 81.353 -4.777 -5.620 89 1HD2 ASN 12 HD22 ASN 12 78.166 -3.424 -4.677 90 2HD2 ASN 12 HD21 ASN 12 79.115 -3.888 -6.006 91 H VAL 13 HN VAL 13 81.876 -4.889 -1.427 92 HA VAL 13 HA VAL 13 81.057 -7.691 -2.014 93 HB VAL 13 HB VAL 13 82.653 -6.932 0.441 94 1HG1 VAL 13 HG12 VAL 13 81.070 -9.046 0.105 95 2HG1 VAL 13 HG11 VAL 13 82.482 -9.670 -0.736 96 3HG1 VAL 13 HG13 VAL 13 82.610 -9.184 0.950 97 1HG2 VAL 13 HG23 VAL 13 83.607 -8.116 -2.189 98 2HG2 VAL 13 HG22 VAL 13 84.115 -6.586 -1.470 99 3HG2 VAL 13 HG21 VAL 13 84.549 -8.106 -0.699 100 H GLY 14 HN GLY 14 79.515 -5.233 -1.578 101 1HA GLY 14 2HA GLY 14 78.566 -4.855 1.032 102 2HA GLY 14 3HA GLY 14 77.560 -4.649 -0.399 103 H SER 15 HN SER 15 77.906 -7.494 -1.187 104 HA SER 15 HA SER 15 75.619 -8.569 0.117 105 1HB SER 15 2HB SER 15 77.842 -10.025 -1.344 106 2HB SER 15 3HB SER 15 76.260 -10.702 -0.963 107 HG SER 15 HG SER 15 76.244 -8.246 -2.234 108 H SER 16 HN SER 16 79.084 -8.963 0.748 109 HA SER 16 HA SER 16 78.818 -10.998 2.755 110 1HB SER 16 2HB SER 16 80.964 -8.919 2.316 111 2HB SER 16 3HB SER 16 81.116 -10.265 3.440 112 HG SER 16 HG SER 16 80.304 -11.272 1.149 113 H ASN 17 HN ASN 17 78.607 -10.854 4.972 114 HA ASN 17 HA ASN 17 77.500 -8.351 6.045 115 1HB ASN 17 2HB ASN 17 76.552 -10.595 6.615 116 2HB ASN 17 3HB ASN 17 78.061 -10.984 7.444 117 1HD2 ASN 17 HD22 ASN 17 76.464 -9.703 10.339 118 2HD2 ASN 17 HD21 ASN 17 77.032 -11.095 9.548 119 H ARG 18 HN ARG 18 78.394 -7.541 8.216 120 HA ARG 18 HA ARG 18 81.143 -6.840 7.967 121 1HB ARG 18 2HB ARG 18 79.508 -5.569 9.342 122 2HB ARG 18 3HB ARG 18 79.463 -6.896 10.498 123 1HG ARG 18 2HG ARG 18 81.886 -6.618 10.911 124 2HG ARG 18 3HG ARG 18 81.934 -5.281 9.763 125 1HD ARG 18 2HD ARG 18 81.747 -4.537 12.161 126 2HD ARG 18 3HD ARG 18 80.417 -3.974 11.147 127 HE ARG 18 HE ARG 18 79.481 -6.358 12.196 128 1HH1 ARG 18 HH21 ARG 18 80.815 -3.426 13.442 129 2HH1 ARG 18 HH22 ARG 18 79.960 -3.528 14.947 130 1HH2 ARG 18 HH11 ARG 18 78.350 -6.488 14.139 131 2HH2 ARG 18 HH12 ARG 18 78.561 -5.261 15.338 132 H ASN 19 HN ASN 19 79.574 -9.425 9.863 133 HA ASN 19 HA ASN 19 81.909 -10.312 11.235 134 1HB ASN 19 2HB ASN 19 79.564 -11.113 11.685 135 2HB ASN 19 3HB ASN 19 79.653 -12.054 10.194 136 1HD2 ASN 19 HD22 ASN 19 80.734 -14.581 12.525 137 2HD2 ASN 19 HD21 ASN 19 79.346 -13.936 11.789 138 H LYS 20 HN LYS 20 80.545 -11.259 8.079 139 HA LYS 20 HA LYS 20 82.654 -13.128 7.435 140 1HB LYS 20 2HB LYS 20 80.402 -13.095 6.334 141 2HB LYS 20 3HB LYS 20 80.845 -11.579 5.549 142 1HG LYS 20 2HG LYS 20 82.759 -12.707 4.456 143 2HG LYS 20 3HG LYS 20 82.297 -14.225 5.233 144 1HD LYS 20 2HD LYS 20 79.969 -13.803 4.136 145 2HD LYS 20 3HD LYS 20 80.842 -12.681 3.095 146 1HE LYS 20 2HE LYS 20 80.856 -14.762 1.933 147 2HE LYS 20 3HE LYS 20 82.471 -14.591 2.624 148 1HZ LYS 20 HZ2 LYS 20 81.128 -15.821 4.608 149 2HZ LYS 20 HZ1 LYS 20 80.396 -16.504 3.233 150 3HZ LYS 20 HZ3 LYS 20 82.074 -16.620 3.443 151 H ALA 21 HN ALA 21 82.187 -9.665 6.990 152 HA ALA 21 HA ALA 21 84.311 -9.130 5.168 153 1HB ALA 21 HB3 ALA 21 82.446 -7.585 6.335 154 2HB ALA 21 HB2 ALA 21 83.799 -7.222 7.411 155 3HB ALA 21 HB1 ALA 21 83.937 -6.905 5.680 156 H GLU 22 HN GLU 22 84.266 -9.342 8.734 157 HA GLU 22 HA GLU 22 86.963 -8.631 9.225 158 1HB GLU 22 2HB GLU 22 85.204 -10.674 10.627 159 2HB GLU 22 3HB GLU 22 86.775 -10.151 11.234 160 1HG GLU 22 2HG GLU 22 85.998 -7.854 11.421 161 2HG GLU 22 3HG GLU 22 84.453 -8.287 10.683 162 H ASN 23 HN ASN 23 85.524 -11.809 8.554 163 HA ASN 23 HA ASN 23 87.936 -13.292 8.553 164 1HB ASN 23 2HB ASN 23 85.580 -14.235 8.528 165 2HB ASN 23 3HB ASN 23 85.525 -13.842 6.811 166 1HD2 ASN 23 HD22 ASN 23 87.131 -16.874 6.020 167 2HD2 ASN 23 HD21 ASN 23 85.927 -15.740 5.635 168 H LEU 24 HN LEU 24 86.188 -11.605 5.966 169 HA LEU 24 HA LEU 24 88.030 -12.266 3.867 170 1HB LEU 24 2HB LEU 24 86.165 -9.898 4.220 171 2HB LEU 24 3HB LEU 24 87.064 -10.226 2.742 172 HG LEU 24 HG LEU 24 85.162 -12.194 4.025 173 1HD1 LEU 24 HD11 LEU 24 84.770 -10.059 1.946 174 2HD1 LEU 24 HD13 LEU 24 83.843 -11.561 1.839 175 3HD1 LEU 24 HD12 LEU 24 83.701 -10.532 3.271 176 1HD2 LEU 24 HD21 LEU 24 86.966 -12.178 1.664 177 2HD2 LEU 24 HD23 LEU 24 86.472 -13.524 2.691 178 3HD2 LEU 24 HD22 LEU 24 85.381 -12.920 1.447 179 H LEU 25 HN LEU 25 87.830 -9.573 6.187 180 HA LEU 25 HA LEU 25 90.146 -8.183 5.140 181 1HB LEU 25 2HB LEU 25 88.749 -8.084 7.827 182 2HB LEU 25 3HB LEU 25 90.136 -7.064 7.432 183 HG LEU 25 HG LEU 25 87.793 -7.113 5.553 184 1HD1 LEU 25 HD13 LEU 25 87.168 -6.670 8.110 185 2HD1 LEU 25 HD12 LEU 25 87.848 -5.084 7.761 186 3HD1 LEU 25 HD11 LEU 25 86.479 -5.683 6.823 187 1HD2 LEU 25 HD22 LEU 25 90.168 -5.899 5.372 188 2HD2 LEU 25 HD21 LEU 25 88.699 -5.115 4.792 189 3HD2 LEU 25 HD23 LEU 25 89.358 -4.690 6.371 190 H ARG 26 HN ARG 26 89.547 -10.712 7.433 191 HA ARG 26 HA ARG 26 92.327 -10.803 8.328 192 1HB ARG 26 2HB ARG 26 89.826 -12.375 8.943 193 2HB ARG 26 3HB ARG 26 91.405 -12.899 9.542 194 1HG ARG 26 2HG ARG 26 91.712 -10.737 10.657 195 2HG ARG 26 3HG ARG 26 90.172 -10.169 10.012 196 1HD ARG 26 2HD ARG 26 89.019 -12.013 11.223 197 2HD ARG 26 3HD ARG 26 90.568 -12.487 11.928 198 HE ARG 26 HE ARG 26 90.367 -9.814 12.562 199 1HH1 ARG 26 HH21 ARG 26 88.331 -12.584 12.920 200 2HH1 ARG 26 HH22 ARG 26 87.614 -12.016 14.390 201 1HH2 ARG 26 HH11 ARG 26 89.438 -9.074 14.453 202 2HH2 ARG 26 HH12 ARG 26 88.219 -10.011 15.240 203 H GLY 27 HN GLY 27 90.887 -11.667 5.566 204 1HA GLY 27 2HA GLY 27 92.509 -14.167 5.275 205 2HA GLY 27 3HA GLY 27 91.102 -13.780 4.288 206 H LYS 28 HN LYS 28 92.972 -11.005 4.811 207 HA LYS 28 HA LYS 28 94.656 -11.544 2.424 208 1HB LYS 28 2HB LYS 28 93.919 -9.399 1.391 209 2HB LYS 28 3HB LYS 28 92.633 -10.597 1.489 210 1HG LYS 28 2HG LYS 28 92.122 -9.460 3.796 211 2HG LYS 28 3HG LYS 28 93.000 -8.098 3.098 212 1HD LYS 28 2HD LYS 28 91.407 -8.718 1.014 213 2HD LYS 28 3HD LYS 28 90.367 -9.239 2.341 214 1HE LYS 28 2HE LYS 28 90.707 -7.012 3.416 215 2HE LYS 28 3HE LYS 28 91.616 -6.498 2.002 216 1HZ LYS 28 HZ2 LYS 28 89.449 -7.453 0.844 217 2HZ LYS 28 HZ1 LYS 28 88.763 -6.959 2.314 218 3HZ LYS 28 HZ3 LYS 28 89.584 -5.834 1.345 219 H ARG 29 HN ARG 29 96.353 -9.983 2.139 220 HA ARG 29 HA ARG 29 97.410 -9.022 4.698 221 1HB ARG 29 2HB ARG 29 98.730 -10.227 2.861 222 2HB ARG 29 3HB ARG 29 98.689 -8.696 1.989 223 1HG ARG 29 2HG ARG 29 99.747 -7.558 3.876 224 2HG ARG 29 3HG ARG 29 99.759 -9.067 4.798 225 1HD ARG 29 2HD ARG 29 100.942 -9.771 2.394 226 2HD ARG 29 3HD ARG 29 101.583 -8.153 2.687 227 HE ARG 29 HE ARG 29 102.553 -10.420 3.972 228 1HH1 ARG 29 HH21 ARG 29 100.989 -7.487 4.910 229 2HH1 ARG 29 HH22 ARG 29 101.614 -7.524 6.526 230 1HH2 ARG 29 HH11 ARG 29 103.379 -10.464 6.075 231 2HH2 ARG 29 HH12 ARG 29 102.951 -9.203 7.183 232 H ASP 30 HN ASP 30 98.409 -6.875 4.849 233 HA ASP 30 HA ASP 30 96.729 -4.693 4.675 234 1HB ASP 30 2HB ASP 30 99.733 -4.708 4.249 235 2HB ASP 30 3HB ASP 30 98.780 -3.299 4.706 236 H GLY 31 HN GLY 31 96.681 -2.847 3.213 237 1HA GLY 31 2HA GLY 31 96.878 -1.777 1.080 238 2HA GLY 31 3HA GLY 31 97.744 -3.186 0.483 239 H THR 32 HN THR 32 95.609 -4.993 1.545 240 HA THR 32 HA THR 32 93.844 -4.797 -0.806 241 HB THR 32 HB THR 32 93.717 -6.842 1.428 242 HG1 THR 32 HG1 THR 32 95.561 -7.524 0.753 243 1HG2 THR 32 HG22 THR 32 92.924 -6.820 -1.501 244 2HG2 THR 32 HG21 THR 32 92.913 -8.267 -0.494 245 3HG2 THR 32 HG23 THR 32 91.846 -6.916 -0.111 246 H PHE 33 HN PHE 33 91.886 -3.789 -0.690 247 HA PHE 33 HA PHE 33 90.585 -3.660 1.980 248 1HB PHE 33 2HB PHE 33 90.411 -1.396 1.990 249 2HB PHE 33 3HB PHE 33 91.771 -1.454 0.868 250 HD1 PHE 33 HD1 PHE 33 91.388 -1.196 -1.584 251 HD2 PHE 33 HD2 PHE 33 88.176 -0.931 1.251 252 HE1 PHE 33 HE1 PHE 33 89.901 -0.222 -3.327 253 HE2 PHE 33 HE2 PHE 33 86.717 0.040 -0.505 254 HZ PHE 33 HZ PHE 33 87.579 0.380 -2.774 255 H LEU 34 HN LEU 34 88.208 -2.881 1.649 256 HA LEU 34 HA LEU 34 87.100 -3.735 -0.964 257 1HB LEU 34 2HB LEU 34 85.716 -5.490 -0.077 258 2HB LEU 34 3HB LEU 34 87.362 -5.800 0.465 259 HG LEU 34 HG LEU 34 86.183 -4.105 2.402 260 1HD1 LEU 34 HD13 LEU 34 83.991 -4.825 1.508 261 2HD1 LEU 34 HD12 LEU 34 84.456 -6.509 1.737 262 3HD1 LEU 34 HD11 LEU 34 84.262 -5.451 3.129 263 1HD2 LEU 34 HD23 LEU 34 86.872 -7.060 2.363 264 2HD2 LEU 34 HD22 LEU 34 87.906 -5.733 2.887 265 3HD2 LEU 34 HD21 LEU 34 86.482 -6.162 3.831 266 H VAL 35 HN VAL 35 84.682 -3.403 -1.004 267 HA VAL 35 HA VAL 35 83.954 -1.086 0.722 268 HB VAL 35 HB VAL 35 83.151 -1.784 -2.124 269 1HG1 VAL 35 HG12 VAL 35 81.958 0.161 -0.140 270 2HG1 VAL 35 HG11 VAL 35 81.799 0.390 -1.880 271 3HG1 VAL 35 HG13 VAL 35 81.121 -1.048 -1.115 272 1HG2 VAL 35 HG22 VAL 35 84.609 0.501 -0.783 273 2HG2 VAL 35 HG21 VAL 35 85.201 -0.561 -2.052 274 3HG2 VAL 35 HG23 VAL 35 83.954 0.630 -2.410 275 H ARG 36 HN ARG 36 81.996 -1.178 1.831 276 HA ARG 36 HA ARG 36 80.100 -3.347 1.228 277 1HB ARG 36 2HB ARG 36 80.187 -4.262 3.526 278 2HB ARG 36 3HB ARG 36 81.733 -4.462 2.699 279 1HG ARG 36 2HG ARG 36 82.801 -2.909 4.020 280 2HG ARG 36 3HG ARG 36 81.337 -1.953 4.267 281 1HD ARG 36 2HD ARG 36 80.443 -3.761 5.731 282 2HD ARG 36 3HD ARG 36 81.959 -4.642 5.526 283 HE ARG 36 HE ARG 36 82.744 -2.136 6.435 284 1HH1 ARG 36 HH21 ARG 36 80.502 -4.555 7.445 285 2HH1 ARG 36 HH22 ARG 36 80.742 -4.253 9.134 286 1HH2 ARG 36 HH11 ARG 36 83.083 -1.743 8.628 287 2HH2 ARG 36 HH12 ARG 36 82.213 -2.675 9.806 288 H GLU 37 HN GLU 37 78.278 -3.188 3.110 289 HA GLU 37 HA GLU 37 77.561 -0.339 3.129 290 1HB GLU 37 2HB GLU 37 75.409 -1.173 4.075 291 2HB GLU 37 3HB GLU 37 75.813 -1.965 2.553 292 1HG GLU 37 2HG GLU 37 76.792 -3.235 5.075 293 2HG GLU 37 3HG GLU 37 75.074 -3.370 4.699 294 H SER 38 HN SER 38 76.616 0.470 5.285 295 HA SER 38 HA SER 38 78.615 0.033 7.379 296 1HB SER 38 2HB SER 38 77.189 1.631 8.662 297 2HB SER 38 3HB SER 38 77.620 2.257 7.074 298 HG SER 38 HG SER 38 75.378 0.760 6.958 299 H SER 39 HN SER 39 76.435 -1.757 6.132 300 HA SER 39 HA SER 39 75.540 -3.792 6.798 301 1HB SER 39 2HB SER 39 75.869 -2.917 9.682 302 2HB SER 39 3HB SER 39 75.667 -4.554 9.064 303 HG SER 39 HG SER 39 77.916 -3.228 9.455 304 H LYS 40 HN LYS 40 74.150 -2.987 9.738 305 HA LYS 40 HA LYS 40 71.570 -2.498 8.382 306 1HB LYS 40 2HB LYS 40 72.318 -3.105 11.250 307 2HB LYS 40 3HB LYS 40 70.666 -2.753 10.740 308 1HG LYS 40 2HG LYS 40 70.620 -4.664 9.284 309 2HG LYS 40 3HG LYS 40 72.351 -4.938 9.494 310 1HD LYS 40 2HD LYS 40 71.985 -5.394 11.895 311 2HD LYS 40 3HD LYS 40 70.251 -5.142 11.671 312 1HE LYS 40 2HE LYS 40 69.954 -7.166 10.666 313 2HE LYS 40 3HE LYS 40 71.486 -7.072 9.803 314 1HZ LYS 40 HZ1 LYS 40 72.321 -7.304 12.328 315 2HZ LYS 40 HZ3 LYS 40 70.890 -8.205 12.401 316 3HZ LYS 40 HZ2 LYS 40 72.097 -8.619 11.286 317 H GLN 41 HN GLN 41 74.038 -0.558 9.521 318 HA GLN 41 HA GLN 41 72.503 1.449 10.921 319 1HB GLN 41 2HB GLN 41 74.979 1.236 11.109 320 2HB GLN 41 3HB GLN 41 75.127 1.799 9.444 321 1HG GLN 41 2HG GLN 41 74.064 3.922 10.027 322 2HG GLN 41 3HG GLN 41 73.791 3.357 11.675 323 1HE2 GLN 41 HE22 GLN 41 76.859 4.930 12.490 324 2HE2 GLN 41 HE21 GLN 41 75.173 4.915 12.711 325 H GLY 42 HN GLY 42 73.276 0.902 7.520 326 1HA GLY 42 2HA GLY 42 71.719 1.729 5.813 327 2HA GLY 42 3HA GLY 42 71.379 3.110 6.859 328 H CYS 43 HN CYS 43 74.581 2.780 7.214 329 HA CYS 43 HA CYS 43 75.126 4.725 5.013 330 1HB CYS 43 2HB CYS 43 76.683 4.147 7.552 331 2HB CYS 43 3HB CYS 43 77.124 5.349 6.340 332 HG CYS 43 HG CYS 43 74.886 6.627 6.905 333 H TYR 44 HN TYR 44 77.445 4.574 4.132 334 HA TYR 44 HA TYR 44 78.044 1.702 3.604 335 1HB TYR 44 2HB TYR 44 78.747 4.177 2.005 336 2HB TYR 44 3HB TYR 44 79.216 2.535 1.572 337 HD1 TYR 44 HD1 TYR 44 77.463 0.840 0.983 338 HD2 TYR 44 HD2 TYR 44 76.527 4.976 1.662 339 HE1 TYR 44 HE1 TYR 44 75.275 0.532 -0.143 340 HE2 TYR 44 HE2 TYR 44 74.342 4.670 0.542 341 HH TYR 44 HH TYR 44 73.039 1.624 -0.145 342 H ALA 45 HN ALA 45 80.398 1.155 3.347 343 HA ALA 45 HA ALA 45 82.345 2.977 4.578 344 1HB ALA 45 HB2 ALA 45 81.406 0.457 5.973 345 2HB ALA 45 HB1 ALA 45 82.874 1.330 6.407 346 3HB ALA 45 HB3 ALA 45 81.302 2.110 6.581 347 H CYS 46 HN CYS 46 84.510 2.277 4.235 348 HA CYS 46 HA CYS 46 84.775 -0.134 2.477 349 1HB CYS 46 2HB CYS 46 86.605 2.284 2.644 350 2HB CYS 46 3HB CYS 46 86.807 0.913 1.550 351 HG CYS 46 HG CYS 46 84.503 1.624 0.421 352 H SER 47 HN SER 47 85.844 -1.812 3.386 353 HA SER 47 HA SER 47 87.261 -1.334 5.927 354 1HB SER 47 2HB SER 47 86.572 -3.906 4.504 355 2HB SER 47 3HB SER 47 87.333 -3.802 6.082 356 HG SER 47 HG SER 47 84.965 -4.008 6.037 357 H VAL 48 HN VAL 48 89.440 -1.595 6.220 358 HA VAL 48 HA VAL 48 91.058 -2.434 3.858 359 HB VAL 48 HB VAL 48 91.661 -0.101 5.708 360 1HG1 VAL 48 HG11 VAL 48 93.081 -1.255 3.308 361 2HG1 VAL 48 HG13 VAL 48 93.438 0.340 3.970 362 3HG1 VAL 48 HG12 VAL 48 93.696 -1.100 4.955 363 1HG2 VAL 48 HG23 VAL 48 89.821 -0.099 3.665 364 2HG2 VAL 48 HG22 VAL 48 90.711 1.322 4.205 365 3HG2 VAL 48 HG21 VAL 48 91.288 0.399 2.824 366 H VAL 49 HN VAL 49 93.195 -3.236 4.513 367 HA VAL 49 HA VAL 49 93.262 -4.218 7.344 368 HB VAL 49 HB VAL 49 94.536 -5.398 4.858 369 1HG1 VAL 49 HG12 VAL 49 95.668 -5.659 7.194 370 2HG1 VAL 49 HG11 VAL 49 94.318 -6.748 7.533 371 3HG1 VAL 49 HG13 VAL 49 95.421 -7.098 6.198 372 1HG2 VAL 49 HG21 VAL 49 92.066 -6.055 6.437 373 2HG2 VAL 49 HG23 VAL 49 92.263 -5.964 4.686 374 3HG2 VAL 49 HG22 VAL 49 92.930 -7.332 5.577 375 H VAL 50 HN VAL 50 95.123 -3.643 8.564 376 HA VAL 50 HA VAL 50 97.286 -2.323 6.992 377 HB VAL 50 HB VAL 50 95.607 -1.156 8.986 378 1HG1 VAL 50 HG12 VAL 50 97.193 -2.155 10.637 379 2HG1 VAL 50 HG11 VAL 50 98.505 -1.271 9.862 380 3HG1 VAL 50 HG13 VAL 50 97.202 -0.391 10.654 381 1HG2 VAL 50 HG23 VAL 50 96.862 -0.217 6.879 382 2HG2 VAL 50 HG22 VAL 50 96.584 0.840 8.259 383 3HG2 VAL 50 HG21 VAL 50 98.165 0.097 8.024 384 H ASP 51 HN ASP 51 99.424 -2.430 8.000 385 HA ASP 51 HA ASP 51 100.042 -5.085 8.896 386 1HB ASP 51 2HB ASP 51 101.636 -3.637 7.645 387 2HB ASP 51 3HB ASP 51 101.749 -2.584 9.059 388 H GLY 52 HN GLY 52 98.277 -4.643 10.687 389 1HA GLY 52 2HA GLY 52 99.529 -4.927 13.179 390 2HA GLY 52 3HA GLY 52 99.114 -3.220 13.040 391 H GLU 53 HN GLU 53 96.683 -3.506 11.548 392 HA GLU 53 HA GLU 53 94.965 -5.359 12.990 393 1HB GLU 53 2HB GLU 53 95.242 -3.695 14.733 394 2HB GLU 53 3HB GLU 53 94.843 -2.397 13.609 395 1HG GLU 53 2HG GLU 53 92.592 -3.252 13.347 396 2HG GLU 53 3HG GLU 53 92.973 -4.672 14.317 397 H VAL 54 HN VAL 54 92.703 -5.183 12.294 398 HA VAL 54 HA VAL 54 92.499 -4.282 9.486 399 HB VAL 54 HB VAL 54 90.676 -5.877 11.310 400 1HG1 VAL 54 HG13 VAL 54 90.208 -5.009 8.437 401 2HG1 VAL 54 HG12 VAL 54 89.213 -6.169 9.321 402 3HG1 VAL 54 HG11 VAL 54 89.282 -4.481 9.845 403 1HG2 VAL 54 HG21 VAL 54 92.347 -6.505 8.861 404 2HG2 VAL 54 HG23 VAL 54 92.506 -7.185 10.482 405 3HG2 VAL 54 HG22 VAL 54 91.113 -7.607 9.482 406 H LYS 55 HN LYS 55 91.570 -2.310 8.992 407 HA LYS 55 HA LYS 55 89.999 -1.003 11.185 408 1HB LYS 55 2HB LYS 55 91.698 0.192 8.982 409 2HB LYS 55 3HB LYS 55 90.654 1.149 10.037 410 1HG LYS 55 2HG LYS 55 92.567 1.257 11.294 411 2HG LYS 55 3HG LYS 55 91.967 -0.289 11.899 412 1HD LYS 55 2HD LYS 55 93.289 -1.456 10.144 413 2HD LYS 55 3HD LYS 55 93.941 0.104 9.641 414 1HE LYS 55 2HE LYS 55 95.153 -1.481 11.479 415 2HE LYS 55 3HE LYS 55 95.311 0.269 11.459 416 1HZ LYS 55 HZ2 LYS 55 93.317 0.342 12.927 417 2HZ LYS 55 HZ1 LYS 55 93.432 -1.346 13.080 418 3HZ LYS 55 HZ3 LYS 55 94.689 -0.358 13.638 419 H HIS 56 HN HIS 56 88.160 0.296 10.536 420 HA HIS 56 HA HIS 56 87.036 -0.544 7.898 421 1HB HIS 56 2HB HIS 56 85.621 0.056 10.505 422 2HB HIS 56 3HB HIS 56 84.791 -0.172 8.969 423 HD1 HIS 56 HD1 HIS 56 84.390 -2.110 11.389 424 HD2 HIS 56 HD2 HIS 56 87.018 -2.783 8.230 425 HE1 HIS 56 HE1 HIS 56 84.846 -4.602 11.358 426 H CYS 57 HN CYS 57 86.926 1.153 6.494 427 HA CYS 57 HA CYS 57 86.979 3.909 7.586 428 1HB CYS 57 2HB CYS 57 88.495 3.232 5.680 429 2HB CYS 57 3HB CYS 57 87.053 3.009 4.688 430 HG CYS 57 HG CYS 57 86.663 5.518 4.649 431 H VAL 58 HN VAL 58 85.105 4.998 7.812 432 HA VAL 58 HA VAL 58 82.678 3.811 6.620 433 HB VAL 58 HB VAL 58 83.008 4.512 9.092 434 1HG1 VAL 58 HG13 VAL 58 83.862 6.808 8.378 435 2HG1 VAL 58 HG12 VAL 58 82.190 7.196 7.965 436 3HG1 VAL 58 HG11 VAL 58 82.618 6.805 9.632 437 1HG2 VAL 58 HG21 VAL 58 80.621 5.267 7.393 438 2HG2 VAL 58 HG23 VAL 58 80.864 3.786 8.314 439 3HG2 VAL 58 HG22 VAL 58 80.584 5.306 9.157 440 H ILE 59 HN ILE 59 81.534 4.764 5.009 441 HA ILE 59 HA ILE 59 82.334 7.527 4.179 442 HB ILE 59 HB ILE 59 81.375 5.221 2.458 443 1HG1 ILE 59 HG12 ILE 59 84.028 6.681 2.436 444 2HG1 ILE 59 HG11 ILE 59 83.767 5.169 3.304 445 1HG2 ILE 59 HG23 ILE 59 81.944 8.130 1.889 446 2HG2 ILE 59 HG22 ILE 59 82.010 6.912 0.614 447 3HG2 ILE 59 HG21 ILE 59 80.504 7.198 1.485 448 1HD1 ILE 59 HD12 ILE 59 83.255 5.547 0.340 449 2HD1 ILE 59 HD11 ILE 59 84.727 4.836 1.009 450 3HD1 ILE 59 HD13 ILE 59 83.174 4.035 1.245 451 H ASN 60 HN ASN 60 80.657 8.979 4.176 452 HA ASN 60 HA ASN 60 77.913 7.826 4.538 453 1HB ASN 60 2HB ASN 60 79.095 10.477 5.416 454 2HB ASN 60 3HB ASN 60 77.391 10.058 5.577 455 1HD2 ASN 60 HD22 ASN 60 79.882 8.850 8.436 456 2HD2 ASN 60 HD21 ASN 60 80.218 10.095 7.331 457 H LYS 61 HN LYS 61 76.544 8.109 2.841 458 HA LYS 61 HA LYS 61 77.268 10.061 0.729 459 1HB LYS 61 2HB LYS 61 75.100 7.934 0.816 460 2HB LYS 61 3HB LYS 61 75.417 8.987 -0.557 461 1HG LYS 61 2HG LYS 61 77.729 8.103 -0.692 462 2HG LYS 61 3HG LYS 61 77.372 7.010 0.646 463 1HD LYS 61 2HD LYS 61 77.006 5.672 -1.263 464 2HD LYS 61 3HD LYS 61 75.385 6.208 -0.822 465 1HE LYS 61 2HE LYS 61 75.404 7.922 -2.511 466 2HE LYS 61 3HE LYS 61 77.117 7.659 -2.833 467 1HZ LYS 61 HZ2 LYS 61 76.541 5.377 -3.528 468 2HZ LYS 61 HZ1 LYS 61 74.893 5.764 -3.353 469 3HZ LYS 61 HZ3 LYS 61 75.836 6.568 -4.514 470 H THR 62 HN THR 62 76.410 11.082 3.244 471 HA THR 62 HA THR 62 73.648 12.062 2.693 472 HB THR 62 HB THR 62 75.294 12.220 5.239 473 HG1 THR 62 HG1 THR 62 74.613 10.101 4.546 474 1HG2 THR 62 HG21 THR 62 72.593 13.194 4.428 475 2HG2 THR 62 HG23 THR 62 72.768 12.532 6.052 476 3HG2 THR 62 HG22 THR 62 73.752 13.906 5.549 477 H ALA 63 HN ALA 63 73.517 14.463 3.815 478 HA ALA 63 HA ALA 63 74.626 16.289 2.066 479 1HB ALA 63 HB2 ALA 63 74.013 16.649 5.016 480 2HB ALA 63 HB1 ALA 63 74.409 17.989 3.933 481 3HB ALA 63 HB3 ALA 63 72.961 17.021 3.649 482 H THR 64 HN THR 64 76.367 14.355 4.203 483 HA THR 64 HA THR 64 78.563 16.211 4.692 484 HB THR 64 HB THR 64 79.616 14.242 5.696 485 HG1 THR 64 HG1 THR 64 79.049 12.625 4.338 486 1HG2 THR 64 HG21 THR 64 77.543 15.522 6.725 487 2HG2 THR 64 HG23 THR 64 76.743 13.967 6.482 488 3HG2 THR 64 HG22 THR 64 78.175 14.075 7.508 489 H GLY 65 HN GLY 65 77.471 14.385 2.093 490 1HA GLY 65 2HA GLY 65 78.412 13.910 0.008 491 2HA GLY 65 3HA GLY 65 79.684 15.049 0.429 492 H TYR 66 HN TYR 66 78.679 11.652 0.814 493 HA TYR 66 HA TYR 66 79.989 9.714 1.102 494 1HB TYR 66 2HB TYR 66 82.168 11.493 -0.031 495 2HB TYR 66 3HB TYR 66 82.186 9.728 0.022 496 HD1 TYR 66 HD1 TYR 66 80.476 8.429 -1.292 497 HD2 TYR 66 HD2 TYR 66 80.979 12.672 -1.729 498 HE1 TYR 66 HE1 TYR 66 79.232 8.360 -3.438 499 HE2 TYR 66 HE2 TYR 66 79.739 12.599 -3.876 500 HH TYR 66 HH TYR 66 79.191 10.977 -5.623 501 H GLY 67 HN GLY 67 83.037 10.327 1.494 502 1HA GLY 67 2HA GLY 67 82.951 11.259 4.313 503 2HA GLY 67 3HA GLY 67 83.667 9.680 3.971 504 H PHE 68 HN PHE 68 85.383 11.425 5.093 505 HA PHE 68 HA PHE 68 87.455 12.491 4.787 506 1HB PHE 68 2HB PHE 68 87.194 11.100 2.108 507 2HB PHE 68 3HB PHE 68 88.620 12.006 2.586 508 HD1 PHE 68 HD1 PHE 68 87.040 10.459 5.420 509 HD2 PHE 68 HD2 PHE 68 89.703 9.690 2.135 510 HE1 PHE 68 HE1 PHE 68 87.939 8.485 6.609 511 HE2 PHE 68 HE2 PHE 68 90.602 7.717 3.330 512 HZ PHE 68 HZ PHE 68 89.719 7.113 5.567 513 H ALA 69 HN ALA 69 85.035 13.997 4.223 514 HA ALA 69 HA ALA 69 85.753 15.646 1.850 515 1HB ALA 69 HB1 ALA 69 83.338 14.853 2.557 516 2HB ALA 69 HB3 ALA 69 83.424 16.229 3.661 517 3HB ALA 69 HB2 ALA 69 83.576 16.480 1.919 518 H GLU 70 HN GLU 70 86.707 15.539 4.992 519 HA GLU 70 HA GLU 70 86.377 18.226 5.890 520 1HB GLU 70 2HB GLU 70 88.562 16.227 6.554 521 2HB GLU 70 3HB GLU 70 88.254 17.724 7.431 522 1HG GLU 70 2HG GLU 70 87.072 16.119 8.682 523 2HG GLU 70 3HG GLU 70 85.821 16.827 7.654 524 HA PRO 71 HA PRO 71 90.493 19.168 3.723 525 1HB PRO 71 2HB PRO 71 91.423 17.475 1.816 526 2HB PRO 71 3HB PRO 71 91.771 17.254 3.536 527 1HG PRO 71 2HG PRO 71 89.928 15.766 1.787 528 2HG PRO 71 3HG PRO 71 90.791 15.237 3.239 529 1HD PRO 71 2HD PRO 71 88.070 16.010 3.076 530 2HD PRO 71 3HD PRO 71 88.993 15.692 4.554 531 H TYR 72 HN TYR 72 87.564 18.828 2.601 532 HA TYR 72 HA TYR 72 86.344 19.707 0.818 533 1HB TYR 72 2HB TYR 72 88.954 21.160 0.271 534 2HB TYR 72 3HB TYR 72 87.404 21.543 -0.471 535 HD1 TYR 72 HD2 TYR 72 85.473 22.269 0.997 536 HD2 TYR 72 HD1 TYR 72 89.500 21.936 2.462 537 HE1 TYR 72 HE2 TYR 72 84.880 23.673 2.951 538 HE2 TYR 72 HE1 TYR 72 88.903 23.344 4.415 539 HH TYR 72 HH TYR 72 86.675 25.299 4.665 540 H ASN 73 HN ASN 73 87.651 17.172 0.476 541 HA ASN 73 HA ASN 73 88.035 17.235 -2.488 542 1HB ASN 73 2HB ASN 73 90.213 16.944 -1.253 543 2HB ASN 73 3HB ASN 73 89.572 15.434 -0.595 544 1HD2 ASN 73 HD22 ASN 73 89.316 14.950 -4.548 545 2HD2 ASN 73 HD21 ASN 73 88.241 15.905 -3.643 546 H LEU 74 HN LEU 74 85.668 16.634 -2.328 547 HA LEU 74 HA LEU 74 85.348 13.721 -1.802 548 1HB LEU 74 2HB LEU 74 83.055 14.116 -1.165 549 2HB LEU 74 3HB LEU 74 84.035 15.272 -0.262 550 HG LEU 74 HG LEU 74 83.545 16.740 -2.472 551 1HD1 LEU 74 HD11 LEU 74 81.984 14.569 -3.016 552 2HD1 LEU 74 HD13 LEU 74 80.836 15.580 -2.140 553 3HD1 LEU 74 HD12 LEU 74 81.624 16.196 -3.590 554 1HD2 LEU 74 HD21 LEU 74 81.926 16.368 0.039 555 2HD2 LEU 74 HD23 LEU 74 83.061 17.656 -0.352 556 3HD2 LEU 74 HD22 LEU 74 81.485 17.598 -1.143 557 H TYR 75 HN TYR 75 85.563 12.887 -3.813 558 HA TYR 75 HA TYR 75 84.783 14.239 -6.226 559 1HB TYR 75 2HB TYR 75 85.386 11.332 -5.646 560 2HB TYR 75 3HB TYR 75 85.039 11.945 -7.263 561 HD1 TYR 75 HD2 TYR 75 87.397 12.175 -4.399 562 HD2 TYR 75 HD1 TYR 75 86.646 13.233 -8.496 563 HE1 TYR 75 HE2 TYR 75 89.752 12.918 -4.636 564 HE2 TYR 75 HE1 TYR 75 89.002 13.976 -8.732 565 HH TYR 75 HH TYR 75 91.315 13.246 -7.337 566 H SER 76 HN SER 76 83.066 13.645 -7.670 567 HA SER 76 HA SER 76 80.549 13.136 -6.252 568 1HB SER 76 2HB SER 76 79.506 13.768 -8.359 569 2HB SER 76 3HB SER 76 80.788 14.914 -7.975 570 HG SER 76 HG SER 76 81.692 14.342 -9.775 571 H SER 77 HN SER 77 82.795 11.179 -7.958 572 HA SER 77 HA SER 77 80.624 9.187 -8.505 573 1HB SER 77 2HB SER 77 81.902 9.914 -10.507 574 2HB SER 77 3HB SER 77 83.386 9.364 -9.742 575 HG SER 77 HG SER 77 81.105 7.789 -10.369 576 H LEU 78 HN LEU 78 80.820 7.120 -7.673 577 HA LEU 78 HA LEU 78 82.377 6.721 -5.317 578 1HB LEU 78 2HB LEU 78 81.019 4.744 -7.169 579 2HB LEU 78 3HB LEU 78 81.745 4.295 -5.624 580 HG LEU 78 HG LEU 78 79.761 6.551 -5.726 581 1HD1 LEU 78 HD12 LEU 78 79.175 3.580 -5.709 582 2HD1 LEU 78 HD11 LEU 78 78.014 4.797 -5.185 583 3HD1 LEU 78 HD13 LEU 78 78.577 4.778 -6.855 584 1HD2 LEU 78 HD21 LEU 78 81.276 5.565 -3.724 585 2HD2 LEU 78 HD23 LEU 78 79.670 6.234 -3.450 586 3HD2 LEU 78 HD22 LEU 78 79.888 4.492 -3.583 587 H LYS 79 HN LYS 79 82.953 5.807 -8.703 588 HA LYS 79 HA LYS 79 85.233 4.159 -8.273 589 1HB LYS 79 2HB LYS 79 84.649 6.027 -10.593 590 2HB LYS 79 3HB LYS 79 85.841 4.733 -10.603 591 1HG LYS 79 2HG LYS 79 82.888 4.294 -10.108 592 2HG LYS 79 3HG LYS 79 83.663 4.104 -11.676 593 1HD LYS 79 2HD LYS 79 85.254 2.460 -10.539 594 2HD LYS 79 3HD LYS 79 84.154 2.498 -9.161 595 1HE LYS 79 2HE LYS 79 82.815 2.094 -11.756 596 2HE LYS 79 3HE LYS 79 83.907 0.792 -11.291 597 1HZ LYS 79 HZ3 LYS 79 82.132 1.817 -9.223 598 2HZ LYS 79 HZ2 LYS 79 81.414 0.910 -10.468 599 3HZ LYS 79 HZ1 LYS 79 82.650 0.227 -9.521 600 H GLU 80 HN GLU 80 84.899 7.677 -8.592 601 HA GLU 80 HA GLU 80 87.711 8.274 -8.564 602 1HB GLU 80 2HB GLU 80 85.237 9.869 -7.857 603 2HB GLU 80 3HB GLU 80 86.857 10.557 -7.725 604 1HG GLU 80 2HG GLU 80 86.140 9.151 -10.256 605 2HG GLU 80 3HG GLU 80 85.465 10.755 -9.982 606 H LEU 81 HN LEU 81 85.263 8.007 -6.004 607 HA LEU 81 HA LEU 81 86.945 8.783 -3.836 608 1HB LEU 81 2HB LEU 81 84.430 8.470 -3.759 609 2HB LEU 81 3HB LEU 81 84.717 6.729 -3.705 610 HG LEU 81 HG LEU 81 86.105 8.561 -1.756 611 1HD1 LEU 81 HD11 LEU 81 83.246 7.651 -1.746 612 2HD1 LEU 81 HD13 LEU 81 84.114 7.787 -0.216 613 3HD1 LEU 81 HD12 LEU 81 83.926 9.201 -1.254 614 1HD2 LEU 81 HD22 LEU 81 85.521 5.639 -2.019 615 2HD2 LEU 81 HD21 LEU 81 86.979 6.445 -1.442 616 3HD2 LEU 81 HD23 LEU 81 85.566 6.321 -0.396 617 H VAL 82 HN VAL 82 86.321 5.595 -5.314 618 HA VAL 82 HA VAL 82 87.985 4.123 -3.479 619 HB VAL 82 HB VAL 82 87.108 3.537 -6.324 620 1HG1 VAL 82 HG11 VAL 82 89.069 2.227 -4.618 621 2HG1 VAL 82 HG13 VAL 82 87.735 1.144 -5.021 622 3HG1 VAL 82 HG12 VAL 82 88.663 1.912 -6.306 623 1HG2 VAL 82 HG23 VAL 82 85.609 3.613 -4.041 624 2HG2 VAL 82 HG22 VAL 82 85.258 2.560 -5.408 625 3HG2 VAL 82 HG21 VAL 82 86.153 1.938 -4.025 626 H LEU 83 HN LEU 83 88.582 5.473 -6.730 627 HA LEU 83 HA LEU 83 91.338 4.652 -6.863 628 1HB LEU 83 2HB LEU 83 89.747 6.800 -8.283 629 2HB LEU 83 3HB LEU 83 91.451 6.496 -8.629 630 HG LEU 83 HG LEU 83 89.350 4.317 -8.726 631 1HD1 LEU 83 HD12 LEU 83 90.291 6.264 -10.841 632 2HD1 LEU 83 HD11 LEU 83 89.649 4.679 -11.269 633 3HD1 LEU 83 HD13 LEU 83 88.637 5.836 -10.407 634 1HD2 LEU 83 HD22 LEU 83 92.248 4.626 -9.447 635 2HD2 LEU 83 HD21 LEU 83 91.434 3.271 -8.665 636 3HD2 LEU 83 HD23 LEU 83 91.261 3.524 -10.402 637 H HIS 84 HN HIS 84 89.779 7.705 -5.851 638 HA HIS 84 HA HIS 84 92.198 9.153 -5.433 639 1HB HIS 84 2HB HIS 84 89.955 10.205 -5.492 640 2HB HIS 84 3HB HIS 84 89.572 9.452 -3.944 641 HD1 HIS 84 HD1 HIS 84 92.247 11.749 -5.405 642 HD2 HIS 84 HD2 HIS 84 90.334 10.996 -1.783 643 HE1 HIS 84 HE1 HIS 84 93.147 13.446 -3.753 644 H TYR 85 HN TYR 85 90.325 7.088 -3.229 645 HA TYR 85 HA TYR 85 91.905 7.532 -0.898 646 1HB TYR 85 2HB TYR 85 90.100 5.339 -1.853 647 2HB TYR 85 3HB TYR 85 91.046 5.100 -0.394 648 HD1 TYR 85 HD2 TYR 85 89.341 8.094 -1.848 649 HD2 TYR 85 HD1 TYR 85 89.680 5.406 1.489 650 HE1 TYR 85 HE2 TYR 85 87.706 9.456 -0.583 651 HE2 TYR 85 HE1 TYR 85 88.041 6.772 2.751 652 HH TYR 85 HH TYR 85 86.739 8.564 2.730 653 H GLN 86 HN GLN 86 92.445 5.551 -3.729 654 HA GLN 86 HA GLN 86 94.527 3.882 -2.641 655 1HB GLN 86 2HB GLN 86 93.475 3.357 -4.800 656 2HB GLN 86 3HB GLN 86 94.052 4.876 -5.476 657 1HG GLN 86 2HG GLN 86 96.330 4.173 -5.370 658 2HG GLN 86 3HG GLN 86 95.926 2.798 -4.347 659 1HE2 GLN 86 HE22 GLN 86 96.040 1.018 -7.466 660 2HE2 GLN 86 HE21 GLN 86 96.938 1.393 -6.074 661 H HIS 87 HN HIS 87 94.471 7.146 -4.041 662 HA HIS 87 HA HIS 87 97.402 7.306 -3.979 663 1HB HIS 87 2HB HIS 87 95.294 9.394 -4.593 664 2HB HIS 87 3HB HIS 87 97.037 9.665 -4.713 665 HD1 HIS 87 HD1 HIS 87 98.336 8.113 -6.476 666 HD2 HIS 87 HD2 HIS 87 94.175 8.064 -6.781 667 HE1 HIS 87 HE1 HIS 87 97.791 7.071 -8.722 668 H THR 88 HN THR 88 94.742 8.164 -1.878 669 HA THR 88 HA THR 88 96.483 9.903 -0.239 670 HB THR 88 HB THR 88 93.640 8.976 0.285 671 HG1 THR 88 HG1 THR 88 93.967 10.233 -1.655 672 1HG2 THR 88 HG23 THR 88 95.585 10.472 1.810 673 2HG2 THR 88 HG22 THR 88 94.205 11.500 1.415 674 3HG2 THR 88 HG21 THR 88 93.956 9.977 2.274 675 H SER 89 HN SER 89 97.607 9.214 1.458 676 HA SER 89 HA SER 89 97.570 6.383 2.151 677 1HB SER 89 2HB SER 89 99.137 8.770 3.133 678 2HB SER 89 3HB SER 89 99.404 7.131 3.707 679 HG SER 89 HG SER 89 99.310 7.513 0.965 680 H LEU 90 HN LEU 90 96.563 5.515 3.914 681 HA LEU 90 HA LEU 90 94.639 7.091 5.365 682 1HB LEU 90 2HB LEU 90 95.654 4.269 5.740 683 2HB LEU 90 3HB LEU 90 94.343 4.967 6.691 684 HG LEU 90 HG LEU 90 94.330 4.911 3.668 685 1HD1 LEU 90 HD13 LEU 90 93.252 2.941 5.694 686 2HD1 LEU 90 HD12 LEU 90 92.621 3.049 4.050 687 3HD1 LEU 90 HD11 LEU 90 94.303 2.611 4.318 688 1HD2 LEU 90 HD23 LEU 90 92.434 5.680 5.858 689 2HD2 LEU 90 HD22 LEU 90 92.772 6.509 4.340 690 3HD2 LEU 90 HD21 LEU 90 91.777 5.053 4.348 691 H VAL 91 HN VAL 91 97.983 6.390 6.004 692 HA VAL 91 HA VAL 91 98.343 6.195 8.669 693 HB VAL 91 HB VAL 91 99.887 8.465 8.031 694 1HG1 VAL 91 HG12 VAL 91 100.313 5.494 8.061 695 2HG1 VAL 91 HG11 VAL 91 101.614 6.574 7.559 696 3HG1 VAL 91 HG13 VAL 91 100.930 6.709 9.179 697 1HG2 VAL 91 HG23 VAL 91 99.030 8.210 5.720 698 2HG2 VAL 91 HG22 VAL 91 100.767 7.930 5.831 699 3HG2 VAL 91 HG21 VAL 91 99.658 6.568 5.710 700 H GLN 92 HN GLN 92 97.535 9.307 7.119 701 HA GLN 92 HA GLN 92 97.326 10.893 9.428 702 1HB GLN 92 2HB GLN 92 97.210 11.694 7.042 703 2HB GLN 92 3HB GLN 92 95.552 11.103 6.982 704 1HG GLN 92 2HG GLN 92 94.940 12.591 8.853 705 2HG GLN 92 3HG GLN 92 96.605 13.172 8.938 706 1HE2 GLN 92 HE22 GLN 92 94.670 15.583 6.835 707 2HE2 GLN 92 HE21 GLN 92 94.564 15.037 8.442 708 H HIS 93 HN HIS 93 95.046 8.539 8.164 709 HA HIS 93 HA HIS 93 92.681 9.328 9.435 710 1HB HIS 93 2HB HIS 93 92.986 7.305 7.958 711 2HB HIS 93 3HB HIS 93 93.734 6.488 9.328 712 HD1 HIS 93 HD1 HIS 93 92.174 6.318 11.541 713 HD2 HIS 93 HD2 HIS 93 90.213 7.219 7.974 714 HE1 HIS 93 HE1 HIS 93 89.707 5.905 11.952 715 H ASN 94 HN ASN 94 95.356 7.410 10.799 716 HA ASN 94 HA ASN 94 94.624 8.410 13.505 717 1HB ASN 94 2HB ASN 94 93.628 6.119 13.203 718 2HB ASN 94 3HB ASN 94 95.247 5.494 12.903 719 1HD2 ASN 94 HD22 ASN 94 94.593 5.000 16.528 720 2HD2 ASN 94 HD21 ASN 94 93.961 4.393 15.075 721 H ASP 95 HN ASP 95 96.732 8.705 11.315 722 HA ASP 95 HA ASP 95 99.040 9.061 11.200 723 1HB ASP 95 2HB ASP 95 98.526 10.272 13.369 724 2HB ASP 95 3HB ASP 95 98.967 8.795 14.221 725 H SER 96 HN SER 96 97.663 6.246 11.894 726 HA SER 96 HA SER 96 100.284 4.848 11.925 727 1HB SER 96 2HB SER 96 99.334 3.138 13.467 728 2HB SER 96 3HB SER 96 99.443 4.728 14.217 729 HG SER 96 HG SER 96 97.297 4.959 14.078 730 H LEU 97 HN LEU 97 97.759 5.466 10.082 731 HA LEU 97 HA LEU 97 97.340 2.632 9.266 732 1HB LEU 97 2HB LEU 97 95.791 5.092 8.410 733 2HB LEU 97 3HB LEU 97 95.412 3.434 7.966 734 HG LEU 97 HG LEU 97 95.286 4.692 10.716 735 1HD1 LEU 97 HD11 LEU 97 93.394 4.381 8.682 736 2HD1 LEU 97 HD13 LEU 97 93.066 3.048 9.790 737 3HD1 LEU 97 HD12 LEU 97 93.050 4.709 10.383 738 1HD2 LEU 97 HD21 LEU 97 95.408 1.815 9.854 739 2HD2 LEU 97 HD23 LEU 97 96.205 2.597 11.222 740 3HD2 LEU 97 HD22 LEU 97 94.472 2.277 11.272 741 H ASN 98 HN ASN 98 99.640 2.871 8.503 742 HA ASN 98 HA ASN 98 100.143 4.520 6.148 743 1HB ASN 98 2HB ASN 98 102.344 3.571 6.181 744 2HB ASN 98 3HB ASN 98 101.866 3.799 7.868 745 1HD2 ASN 98 HD22 ASN 98 103.213 0.311 7.513 746 2HD2 ASN 98 HD21 ASN 98 103.852 1.866 7.255 747 H VAL 99 HN VAL 99 98.140 3.525 5.087 748 HA VAL 99 HA VAL 99 99.083 1.541 3.145 749 HB VAL 99 HB VAL 99 96.767 0.988 5.014 750 1HG1 VAL 99 HG11 VAL 99 97.505 -0.101 2.307 751 2HG1 VAL 99 HG13 VAL 99 96.671 -1.127 3.477 752 3HG1 VAL 99 HG12 VAL 99 95.919 0.369 2.918 753 1HG2 VAL 99 HG23 VAL 99 99.362 -0.443 4.369 754 2HG2 VAL 99 HG22 VAL 99 98.875 0.242 5.919 755 3HG2 VAL 99 HG21 VAL 99 98.048 -1.180 5.285 756 H THR 100 HN THR 100 97.594 1.387 1.314 757 HA THR 100 HA THR 100 95.551 3.567 1.251 758 HB THR 100 HB THR 100 96.210 4.116 -1.010 759 HG1 THR 100 HG1 THR 100 98.069 3.109 -1.883 760 1HG2 THR 100 HG21 THR 100 97.971 4.362 1.297 761 2HG2 THR 100 HG23 THR 100 98.861 4.454 -0.218 762 3HG2 THR 100 HG22 THR 100 97.537 5.575 0.095 763 H LEU 101 HN LEU 101 93.966 3.234 -0.530 764 HA LEU 101 HA LEU 101 93.209 0.394 -0.629 765 1HB LEU 101 2HB LEU 101 91.919 2.919 -1.716 766 2HB LEU 101 3HB LEU 101 91.202 1.310 -1.827 767 HG LEU 101 HG LEU 101 91.527 1.159 0.704 768 1HD1 LEU 101 HD12 LEU 101 92.595 3.806 0.182 769 2HD1 LEU 101 HD11 LEU 101 91.285 3.859 1.366 770 3HD1 LEU 101 HD13 LEU 101 92.690 2.831 1.645 771 1HD2 LEU 101 HD21 LEU 101 89.481 2.397 -0.890 772 2HD2 LEU 101 HD23 LEU 101 89.302 1.507 0.621 773 3HD2 LEU 101 HD22 LEU 101 89.582 3.246 0.656 774 H ALA 102 HN ALA 102 95.369 0.068 -1.848 775 HA ALA 102 HA ALA 102 95.164 0.787 -4.723 776 1HB ALA 102 HB1 ALA 102 97.367 0.087 -2.874 777 2HB ALA 102 HB3 ALA 102 97.529 -0.543 -4.515 778 3HB ALA 102 HB2 ALA 102 97.359 1.190 -4.250 779 H TYR 103 HN TYR 103 94.942 -2.056 -2.628 780 HA TYR 103 HA TYR 103 94.793 -3.692 -5.117 781 1HB TYR 103 2HB TYR 103 95.434 -4.553 -2.293 782 2HB TYR 103 3HB TYR 103 95.247 -5.656 -3.655 783 HD1 TYR 103 HD1 TYR 103 96.869 -5.717 -5.472 784 HD2 TYR 103 HD2 TYR 103 97.342 -3.026 -2.161 785 HE1 TYR 103 HE1 TYR 103 99.220 -5.309 -6.142 786 HE2 TYR 103 HE2 TYR 103 99.696 -2.615 -2.831 787 HH TYR 103 HH TYR 103 101.427 -3.515 -4.115 788 HA PRO 104 HA PRO 104 90.423 -4.217 -4.200 789 1HB PRO 104 2HB PRO 104 89.895 -5.987 -6.169 790 2HB PRO 104 3HB PRO 104 90.237 -4.276 -6.497 791 1HG PRO 104 2HG PRO 104 92.048 -6.637 -6.725 792 2HG PRO 104 3HG PRO 104 91.835 -5.273 -7.832 793 1HD PRO 104 2HD PRO 104 93.890 -5.435 -6.046 794 2HD PRO 104 3HD PRO 104 93.215 -3.889 -6.604 795 H VAL 105 HN VAL 105 89.225 -5.703 -2.997 796 HA VAL 105 HA VAL 105 90.641 -7.981 -1.880 797 HB VAL 105 HB VAL 105 89.105 -6.655 -0.520 798 1HG1 VAL 105 HG12 VAL 105 87.209 -7.412 -2.689 799 2HG1 VAL 105 HG11 VAL 105 86.572 -7.361 -1.051 800 3HG1 VAL 105 HG13 VAL 105 87.307 -5.923 -1.754 801 1HG2 VAL 105 HG23 VAL 105 89.521 -9.087 -0.056 802 2HG2 VAL 105 HG22 VAL 105 87.965 -8.523 0.541 803 3HG2 VAL 105 HG21 VAL 105 88.052 -9.462 -0.948 804 H TYR 106 HN TYR 106 88.091 -7.640 -4.335 805 HA TYR 106 HA TYR 106 88.352 -10.582 -4.746 806 1HB TYR 106 2HB TYR 106 85.887 -8.943 -4.419 807 2HB TYR 106 3HB TYR 106 85.843 -10.249 -5.593 808 HD1 TYR 106 HD1 TYR 106 86.904 -12.540 -4.743 809 HD2 TYR 106 HD2 TYR 106 85.341 -9.459 -2.198 810 HE1 TYR 106 HE1 TYR 106 86.570 -14.200 -2.934 811 HE2 TYR 106 HE2 TYR 106 85.006 -11.120 -0.384 812 HH TYR 106 HH TYR 106 86.309 -14.330 -0.587 813 H ALA 107 HN ALA 107 89.981 -9.283 -6.282 814 HA ALA 107 HA ALA 107 88.607 -8.404 -8.746 815 1HB ALA 107 HB3 ALA 107 91.530 -8.574 -7.963 816 2HB ALA 107 HB2 ALA 107 91.001 -8.121 -9.579 817 3HB ALA 107 HB1 ALA 107 90.563 -7.123 -8.199 818 H GLN 108 HN GLN 108 88.392 -9.638 -10.549 819 HA GLN 108 HA GLN 108 88.853 -12.492 -10.359 820 1HB GLN 108 2HB GLN 108 88.011 -10.743 -12.689 821 2HB GLN 108 3HB GLN 108 88.007 -12.508 -12.710 822 1HG GLN 108 2HG GLN 108 86.461 -12.513 -10.768 823 2HG GLN 108 3HG GLN 108 86.421 -10.751 -10.813 824 1HE2 GLN 108 HE22 GLN 108 83.736 -10.862 -13.086 825 2HE2 GLN 108 HE21 GLN 108 84.428 -10.162 -11.697 826 H GLN 109 HN GLN 109 90.465 -13.704 -11.290 827 HA GLN 109 HA GLN 109 92.814 -12.231 -12.324 828 1HB GLN 109 2HB GLN 109 93.028 -13.970 -10.516 829 2HB GLN 109 3HB GLN 109 92.516 -15.183 -11.685 830 1HG GLN 109 2HG GLN 109 94.446 -14.682 -13.100 831 2HG GLN 109 3HG GLN 109 94.937 -13.383 -12.009 832 1HE2 GLN 109 HE22 GLN 109 95.488 -16.070 -9.381 833 2HE2 GLN 109 HE21 GLN 109 94.344 -14.824 -9.519 834 H ARG 110 HN ARG 110 90.083 -13.514 -13.642 835 HA ARG 110 HA ARG 110 91.001 -15.121 -15.810 836 1HB ARG 110 2HB ARG 110 88.582 -13.363 -15.427 837 2HB ARG 110 3HB ARG 110 88.833 -14.278 -16.911 838 1HG ARG 110 2HG ARG 110 88.999 -16.364 -15.557 839 2HG ARG 110 3HG ARG 110 88.646 -15.420 -14.105 840 1HD ARG 110 2HD ARG 110 86.550 -14.607 -15.305 841 2HD ARG 110 3HD ARG 110 86.856 -15.861 -16.497 842 HE ARG 110 HE ARG 110 86.910 -17.224 -14.098 843 1HH1 ARG 110 HH21 ARG 110 84.761 -15.060 -15.711 844 2HH1 ARG 110 HH22 ARG 110 83.333 -15.735 -14.997 845 1HH2 ARG 110 HH11 ARG 110 85.065 -18.102 -13.140 846 2HH2 ARG 110 HH12 ARG 110 83.511 -17.443 -13.524 847 H ARG 111 HN ARG 111 90.595 -11.580 -15.552 848 HA ARG 111 HA ARG 111 91.762 -11.309 -18.287 849 1HB ARG 111 2HB ARG 111 90.412 -9.290 -16.466 850 2HB ARG 111 3HB ARG 111 91.096 -8.905 -18.042 851 1HG ARG 111 2HG ARG 111 88.964 -9.355 -18.760 852 2HG ARG 111 3HG ARG 111 89.570 -11.001 -18.764 853 1HD ARG 111 2HD ARG 111 87.961 -11.556 -17.305 854 2HD ARG 111 3HD ARG 111 88.723 -10.517 -16.110 855 HE ARG 111 HE ARG 111 86.200 -10.024 -17.187 856 1HH1 ARG 111 HH21 ARG 111 89.239 -8.401 -17.136 857 2HH1 ARG 111 HH22 ARG 111 88.554 -6.824 -17.322 858 1HH2 ARG 111 HH11 ARG 111 85.290 -7.973 -17.442 859 2HH2 ARG 111 HH12 ARG 111 86.319 -6.584 -17.508 No H/Q in entry = 859 Start of MODEL 8 1 1H GLU 1 HT3 GLU 1 96.529 -5.229 -15.104 2 2H GLU 1 HT2 GLU 1 97.564 -6.320 -15.896 3 3H GLU 1 HT1 GLU 1 98.202 -4.972 -15.082 4 HA GLU 1 HA GLU 1 98.247 -4.034 -17.103 5 1HB GLU 1 2HB GLU 1 95.999 -5.932 -17.840 6 2HB GLU 1 3HB GLU 1 96.764 -4.801 -18.955 7 1HG GLU 1 2HG GLU 1 98.943 -5.900 -18.573 8 2HG GLU 1 3HG GLU 1 98.167 -7.042 -17.474 9 H ASP 2 HN ASP 2 94.779 -4.791 -16.963 10 HA ASP 2 HA ASP 2 94.090 -1.970 -17.171 11 1HB ASP 2 2HB ASP 2 91.769 -2.762 -17.046 12 2HB ASP 2 3HB ASP 2 92.685 -3.770 -18.169 13 H LEU 3 HN LEU 3 92.478 -1.040 -15.504 14 HA LEU 3 HA LEU 3 93.673 -1.437 -12.837 15 1HB LEU 3 2HB LEU 3 91.651 0.596 -13.814 16 2HB LEU 3 3HB LEU 3 92.410 0.596 -12.224 17 HG LEU 3 HG LEU 3 93.892 0.796 -14.865 18 1HD1 LEU 3 HD13 LEU 3 93.080 2.851 -12.799 19 2HD1 LEU 3 HD12 LEU 3 94.401 3.133 -13.939 20 3HD1 LEU 3 HD11 LEU 3 92.762 2.865 -14.536 21 1HD2 LEU 3 HD21 LEU 3 94.738 0.631 -11.986 22 2HD2 LEU 3 HD23 LEU 3 95.444 -0.149 -13.400 23 3HD2 LEU 3 HD22 LEU 3 95.711 1.570 -13.120 24 HA PRO 4 HA PRO 4 90.299 -4.308 -11.803 25 1HB PRO 4 2HB PRO 4 91.272 -3.615 -9.081 26 2HB PRO 4 3HB PRO 4 91.006 -5.211 -9.804 27 1HG PRO 4 2HG PRO 4 93.451 -4.209 -9.447 28 2HG PRO 4 3HG PRO 4 93.047 -5.224 -10.839 29 1HD PRO 4 2HD PRO 4 93.534 -2.293 -10.730 30 2HD PRO 4 3HD PRO 4 93.782 -3.438 -12.066 31 H HIS 5 HN HIS 5 90.779 -1.052 -10.774 32 HA HIS 5 HA HIS 5 88.490 -0.783 -9.071 33 1HB HIS 5 2HB HIS 5 89.903 1.305 -10.750 34 2HB HIS 5 3HB HIS 5 88.816 1.628 -9.394 35 HD1 HIS 5 HD1 HIS 5 89.605 0.320 -7.067 36 HD2 HIS 5 HD2 HIS 5 92.541 1.051 -9.942 37 HE1 HIS 5 HE1 HIS 5 91.838 0.099 -5.890 38 H HIS 6 HN HIS 6 88.808 -1.014 -12.514 39 HA HIS 6 HA HIS 6 86.488 0.436 -13.319 40 1HB HIS 6 2HB HIS 6 87.867 -1.993 -14.482 41 2HB HIS 6 3HB HIS 6 86.506 -1.196 -15.275 42 HD1 HIS 6 HD1 HIS 6 86.891 1.503 -15.681 43 HD2 HIS 6 HD2 HIS 6 90.313 -0.802 -15.115 44 HE1 HIS 6 HE1 HIS 6 88.840 2.895 -16.501 45 H ASP 7 HN ASP 7 86.870 -2.868 -12.054 46 HA ASP 7 HA ASP 7 83.980 -3.383 -12.352 47 1HB ASP 7 2HB ASP 7 85.744 -5.157 -12.798 48 2HB ASP 7 3HB ASP 7 86.052 -5.168 -11.062 49 H GLU 8 HN GLU 8 82.594 -2.883 -10.735 50 HA GLU 8 HA GLU 8 83.422 -1.787 -8.231 51 1HB GLU 8 2HB GLU 8 81.225 -1.336 -9.343 52 2HB GLU 8 3HB GLU 8 80.735 -2.988 -8.963 53 1HG GLU 8 2HG GLU 8 80.607 -2.574 -6.690 54 2HG GLU 8 3HG GLU 8 81.731 -1.220 -6.761 55 H LYS 9 HN LYS 9 82.645 -5.017 -9.273 56 HA LYS 9 HA LYS 9 82.242 -6.274 -6.760 57 1HB LYS 9 2HB LYS 9 81.610 -7.536 -8.595 58 2HB LYS 9 3HB LYS 9 83.069 -7.171 -9.490 59 1HG LYS 9 2HG LYS 9 83.275 -8.734 -6.931 60 2HG LYS 9 3HG LYS 9 82.713 -9.562 -8.375 61 1HD LYS 9 2HD LYS 9 85.417 -8.332 -7.842 62 2HD LYS 9 3HD LYS 9 85.039 -9.956 -8.377 63 1HE LYS 9 2HE LYS 9 85.075 -7.407 -9.976 64 2HE LYS 9 3HE LYS 9 85.853 -8.946 -10.326 65 1HZ LYS 9 HZ3 LYS 9 82.971 -9.064 -10.110 66 2HZ LYS 9 HZ2 LYS 9 83.550 -8.157 -11.424 67 3HZ LYS 9 HZ1 LYS 9 84.011 -9.782 -11.243 68 H THR 10 HN THR 10 85.231 -5.531 -8.479 69 HA THR 10 HA THR 10 87.051 -7.140 -7.088 70 HB THR 10 HB THR 10 88.662 -5.188 -7.515 71 HG1 THR 10 HG1 THR 10 86.264 -4.172 -8.593 72 1HG2 THR 10 HG22 THR 10 87.065 -6.702 -9.489 73 2HG2 THR 10 HG21 THR 10 88.040 -5.372 -10.111 74 3HG2 THR 10 HG23 THR 10 88.806 -6.684 -9.222 75 H TRP 11 HN TRP 11 85.654 -4.042 -6.067 76 HA TRP 11 HA TRP 11 86.912 -4.501 -3.383 77 1HB TRP 11 2HB TRP 11 86.170 -1.866 -3.365 78 2HB TRP 11 3HB TRP 11 87.778 -2.443 -3.817 79 HD1 TRP 11 HD1 TRP 11 88.000 -3.129 -6.506 80 HE1 TRP 11 HE1 TRP 11 87.099 -1.857 -8.556 81 HE3 TRP 11 HE3 TRP 11 84.439 -0.300 -4.248 82 HZ2 TRP 11 HZ2 TRP 11 85.105 0.153 -9.135 83 HZ3 TRP 11 HZ3 TRP 11 83.055 1.292 -5.545 84 HH2 TRP 11 HH2 TRP 11 83.385 1.521 -7.991 85 H ASN 12 HN ASN 12 83.933 -4.101 -5.097 86 HA ASN 12 HA ASN 12 82.450 -3.423 -2.645 87 1HB ASN 12 2HB ASN 12 81.844 -2.451 -4.871 88 2HB ASN 12 3HB ASN 12 81.363 -4.073 -5.383 89 1HD2 ASN 12 HD22 ASN 12 78.467 -2.122 -3.757 90 2HD2 ASN 12 HD21 ASN 12 79.610 -1.616 -4.906 91 H VAL 13 HN VAL 13 81.656 -4.929 -1.282 92 HA VAL 13 HA VAL 13 81.461 -7.747 -2.238 93 HB VAL 13 HB VAL 13 81.291 -8.309 0.182 94 1HG1 VAL 13 HG12 VAL 13 83.510 -7.789 -1.188 95 2HG1 VAL 13 HG11 VAL 13 83.649 -6.487 -0.010 96 3HG1 VAL 13 HG13 VAL 13 83.565 -8.160 0.536 97 1HG2 VAL 13 HG23 VAL 13 80.397 -5.788 0.554 98 2HG2 VAL 13 HG22 VAL 13 81.146 -6.726 1.846 99 3HG2 VAL 13 HG21 VAL 13 82.101 -5.546 0.948 100 H GLY 14 HN GLY 14 79.541 -5.014 -1.453 101 1HA GLY 14 2HA GLY 14 77.198 -4.783 -1.687 102 2HA GLY 14 3HA GLY 14 77.091 -6.511 -2.017 103 H SER 15 HN SER 15 75.474 -7.066 -0.555 104 HA SER 15 HA SER 15 75.588 -6.108 2.208 105 1HB SER 15 2HB SER 15 73.409 -6.487 1.084 106 2HB SER 15 3HB SER 15 73.784 -8.202 0.945 107 HG SER 15 HG SER 15 72.536 -7.811 2.793 108 H SER 16 HN SER 16 77.266 -6.949 3.360 109 HA SER 16 HA SER 16 77.493 -9.927 3.496 110 1HB SER 16 2HB SER 16 79.287 -9.120 2.053 111 2HB SER 16 3HB SER 16 79.745 -7.909 3.245 112 HG SER 16 HG SER 16 79.650 -10.640 3.931 113 H ASN 17 HN ASN 17 77.663 -10.683 5.593 114 HA ASN 17 HA ASN 17 77.231 -8.893 7.786 115 1HB ASN 17 2HB ASN 17 78.110 -11.795 7.700 116 2HB ASN 17 3HB ASN 17 77.774 -10.932 9.201 117 1HD2 ASN 17 HD22 ASN 17 74.662 -12.634 7.657 118 2HD2 ASN 17 HD21 ASN 17 76.254 -13.212 7.748 119 H ARG 18 HN ARG 18 78.671 -8.075 9.327 120 HA ARG 18 HA ARG 18 81.334 -7.508 8.494 121 1HB ARG 18 2HB ARG 18 79.956 -7.345 11.183 122 2HB ARG 18 3HB ARG 18 81.643 -6.872 10.971 123 1HG ARG 18 2HG ARG 18 80.969 -5.302 9.193 124 2HG ARG 18 3HG ARG 18 79.280 -5.741 9.438 125 1HD ARG 18 2HD ARG 18 79.401 -4.933 11.754 126 2HD ARG 18 3HD ARG 18 81.103 -4.529 11.545 127 HE ARG 18 HE ARG 18 78.879 -2.873 10.813 128 1HH1 ARG 18 HH21 ARG 18 81.914 -3.950 9.525 129 2HH1 ARG 18 HH22 ARG 18 81.964 -2.729 8.300 130 1HH2 ARG 18 HH11 ARG 18 78.920 -1.318 9.196 131 2HH2 ARG 18 HH12 ARG 18 80.258 -1.252 8.095 132 H ASN 19 HN ASN 19 79.973 -10.123 10.439 133 HA ASN 19 HA ASN 19 82.418 -11.158 11.481 134 1HB ASN 19 2HB ASN 19 80.064 -11.906 12.104 135 2HB ASN 19 3HB ASN 19 80.037 -12.818 10.595 136 1HD2 ASN 19 HD22 ASN 19 81.295 -15.387 12.784 137 2HD2 ASN 19 HD21 ASN 19 79.855 -14.741 12.155 138 H LYS 20 HN LYS 20 80.702 -11.741 8.426 139 HA LYS 20 HA LYS 20 82.553 -13.655 7.369 140 1HB LYS 20 2HB LYS 20 80.307 -13.191 6.359 141 2HB LYS 20 3HB LYS 20 80.912 -11.624 5.818 142 1HG LYS 20 2HG LYS 20 82.725 -12.784 4.573 143 2HG LYS 20 3HG LYS 20 82.027 -14.335 5.041 144 1HD LYS 20 2HD LYS 20 79.903 -13.689 3.917 145 2HD LYS 20 3HD LYS 20 80.662 -12.183 3.392 146 1HE LYS 20 2HE LYS 20 80.937 -13.614 1.541 147 2HE LYS 20 3HE LYS 20 82.492 -13.708 2.371 148 1HZ LYS 20 HZ1 LYS 20 81.629 -15.696 3.538 149 2HZ LYS 20 HZ3 LYS 20 80.248 -15.640 2.555 150 3HZ LYS 20 HZ2 LYS 20 81.774 -15.907 1.858 151 H ALA 21 HN ALA 21 82.471 -10.147 7.477 152 HA ALA 21 HA ALA 21 84.599 -9.621 5.646 153 1HB ALA 21 HB1 ALA 21 82.939 -8.024 7.084 154 2HB ALA 21 HB3 ALA 21 84.404 -7.892 8.060 155 3HB ALA 21 HB2 ALA 21 84.434 -7.439 6.356 156 H GLU 22 HN GLU 22 84.556 -10.533 9.055 157 HA GLU 22 HA GLU 22 87.306 -10.048 9.613 158 1HB GLU 22 2HB GLU 22 85.360 -12.089 10.725 159 2HB GLU 22 3HB GLU 22 86.999 -11.890 11.345 160 1HG GLU 22 2HG GLU 22 86.515 -9.500 11.819 161 2HG GLU 22 3HG GLU 22 84.864 -9.735 11.245 162 H ASN 23 HN ASN 23 85.675 -12.967 8.331 163 HA ASN 23 HA ASN 23 88.053 -14.532 8.065 164 1HB ASN 23 2HB ASN 23 85.400 -14.599 6.607 165 2HB ASN 23 3HB ASN 23 86.676 -15.777 6.315 166 1HD2 ASN 23 HD22 ASN 23 84.363 -17.103 8.978 167 2HD2 ASN 23 HD21 ASN 23 84.151 -16.604 7.370 168 H LEU 24 HN LEU 24 86.366 -12.305 5.854 169 HA LEU 24 HA LEU 24 88.200 -12.633 3.645 170 1HB LEU 24 2HB LEU 24 86.333 -10.363 4.391 171 2HB LEU 24 3HB LEU 24 87.218 -10.457 2.868 172 HG LEU 24 HG LEU 24 85.273 -12.553 3.869 173 1HD1 LEU 24 HD12 LEU 24 84.895 -10.060 2.372 174 2HD1 LEU 24 HD11 LEU 24 84.251 -11.478 1.542 175 3HD1 LEU 24 HD13 LEU 24 83.707 -11.089 3.170 176 1HD2 LEU 24 HD21 LEU 24 87.027 -12.276 1.443 177 2HD2 LEU 24 HD23 LEU 24 86.720 -13.701 2.438 178 3HD2 LEU 24 HD22 LEU 24 85.492 -13.133 1.306 179 H LEU 25 HN LEU 25 88.053 -10.456 6.436 180 HA LEU 25 HA LEU 25 90.425 -8.997 5.484 181 1HB LEU 25 2HB LEU 25 88.734 -8.804 7.982 182 2HB LEU 25 3HB LEU 25 90.167 -7.815 7.715 183 HG LEU 25 HG LEU 25 87.926 -7.939 5.687 184 1HD1 LEU 25 HD11 LEU 25 87.216 -7.178 8.060 185 2HD1 LEU 25 HD13 LEU 25 88.223 -5.762 7.757 186 3HD1 LEU 25 HD12 LEU 25 86.844 -6.103 6.712 187 1HD2 LEU 25 HD22 LEU 25 90.490 -6.676 5.876 188 2HD2 LEU 25 HD21 LEU 25 89.338 -6.609 4.552 189 3HD2 LEU 25 HD23 LEU 25 89.255 -5.424 5.856 190 H ARG 26 HN ARG 26 89.727 -11.802 7.335 191 HA ARG 26 HA ARG 26 92.119 -11.673 8.979 192 1HB ARG 26 2HB ARG 26 89.921 -13.638 8.566 193 2HB ARG 26 3HB ARG 26 91.460 -14.285 9.140 194 1HG ARG 26 2HG ARG 26 91.374 -12.368 10.889 195 2HG ARG 26 3HG ARG 26 89.672 -12.241 10.458 196 1HD ARG 26 2HD ARG 26 89.857 -13.723 12.358 197 2HD ARG 26 3HD ARG 26 89.442 -14.696 10.948 198 HE ARG 26 HE ARG 26 92.204 -14.782 10.998 199 1HH1 ARG 26 HH21 ARG 26 89.687 -15.335 13.288 200 2HH1 ARG 26 HH22 ARG 26 90.534 -16.598 14.116 201 1HH2 ARG 26 HH11 ARG 26 93.327 -16.436 12.075 202 2HH2 ARG 26 HH12 ARG 26 92.596 -17.210 13.439 203 H GLY 27 HN GLY 27 91.349 -12.687 5.849 204 1HA GLY 27 2HA GLY 27 94.048 -13.952 5.590 205 2HA GLY 27 3HA GLY 27 92.687 -14.324 4.528 206 H LYS 28 HN LYS 28 93.015 -11.068 5.536 207 HA LYS 28 HA LYS 28 93.839 -10.378 2.757 208 1HB LYS 28 2HB LYS 28 91.650 -9.543 3.536 209 2HB LYS 28 3HB LYS 28 92.464 -8.682 4.841 210 1HG LYS 28 2HG LYS 28 93.699 -7.337 3.252 211 2HG LYS 28 3HG LYS 28 93.024 -8.253 1.900 212 1HD LYS 28 2HD LYS 28 91.396 -6.669 3.899 213 2HD LYS 28 3HD LYS 28 91.819 -6.101 2.286 214 1HE LYS 28 2HE LYS 28 89.847 -8.183 3.098 215 2HE LYS 28 3HE LYS 28 89.785 -7.035 1.763 216 1HZ LYS 28 HZ2 LYS 28 91.687 -9.297 1.820 217 2HZ LYS 28 HZ1 LYS 28 90.126 -9.443 1.165 218 3HZ LYS 28 HZ3 LYS 28 91.227 -8.340 0.491 219 H ARG 29 HN ARG 29 95.698 -9.361 2.379 220 HA ARG 29 HA ARG 29 97.513 -8.767 4.609 221 1HB ARG 29 2HB ARG 29 97.863 -8.576 1.599 222 2HB ARG 29 3HB ARG 29 99.153 -8.329 2.779 223 1HG ARG 29 2HG ARG 29 98.773 -10.629 3.643 224 2HG ARG 29 3HG ARG 29 97.535 -10.867 2.412 225 1HD ARG 29 2HD ARG 29 100.418 -10.159 1.788 226 2HD ARG 29 3HD ARG 29 99.780 -11.806 1.777 227 HE ARG 29 HE ARG 29 98.060 -10.424 0.099 228 1HH1 ARG 29 HH21 ARG 29 101.461 -10.802 0.399 229 2HH1 ARG 29 HH22 ARG 29 101.761 -10.710 -1.305 230 1HH2 ARG 29 HH11 ARG 29 98.425 -10.335 -2.137 231 2HH2 ARG 29 HH12 ARG 29 100.041 -10.487 -2.739 232 H ASP 30 HN ASP 30 98.755 -6.650 4.543 233 HA ASP 30 HA ASP 30 96.984 -4.400 4.724 234 1HB ASP 30 2HB ASP 30 99.145 -4.570 5.944 235 2HB ASP 30 3HB ASP 30 100.004 -4.387 4.415 236 H GLY 31 HN GLY 31 96.564 -2.725 3.312 237 1HA GLY 31 2HA GLY 31 96.999 -1.397 1.322 238 2HA GLY 31 3HA GLY 31 97.881 -2.763 0.641 239 H THR 32 HN THR 32 95.574 -4.496 1.715 240 HA THR 32 HA THR 32 93.891 -4.153 -0.708 241 HB THR 32 HB THR 32 93.980 -6.397 1.316 242 HG1 THR 32 HG1 THR 32 95.734 -6.878 0.314 243 1HG2 THR 32 HG21 THR 32 91.865 -6.076 -0.080 244 2HG2 THR 32 HG23 THR 32 92.854 -6.424 -1.497 245 3HG2 THR 32 HG22 THR 32 92.650 -7.646 -0.241 246 H PHE 33 HN PHE 33 91.703 -3.547 -0.532 247 HA PHE 33 HA PHE 33 90.548 -3.575 2.200 248 1HB PHE 33 2HB PHE 33 90.062 -1.351 2.298 249 2HB PHE 33 3HB PHE 33 91.517 -1.236 1.310 250 HD1 PHE 33 HD1 PHE 33 90.921 -1.741 -1.350 251 HD2 PHE 33 HD2 PHE 33 88.293 -0.116 1.627 252 HE1 PHE 33 HE1 PHE 33 89.531 -0.695 -3.117 253 HE2 PHE 33 HE2 PHE 33 86.912 0.908 -0.162 254 HZ PHE 33 HZ PHE 33 87.531 0.606 -2.510 255 H LEU 34 HN LEU 34 88.135 -2.962 2.037 256 HA LEU 34 HA LEU 34 86.953 -3.913 -0.532 257 1HB LEU 34 2HB LEU 34 85.497 -5.478 0.636 258 2HB LEU 34 3HB LEU 34 87.166 -5.841 1.074 259 HG LEU 34 HG LEU 34 86.167 -3.864 2.896 260 1HD1 LEU 34 HD13 LEU 34 84.355 -6.197 2.349 261 2HD1 LEU 34 HD12 LEU 34 84.495 -5.533 3.978 262 3HD1 LEU 34 HD11 LEU 34 83.938 -4.512 2.654 263 1HD2 LEU 34 HD23 LEU 34 86.976 -6.764 3.136 264 2HD2 LEU 34 HD22 LEU 34 87.967 -5.340 3.456 265 3HD2 LEU 34 HD21 LEU 34 86.623 -5.739 4.525 266 H VAL 35 HN VAL 35 84.712 -3.212 -0.810 267 HA VAL 35 HA VAL 35 84.038 -0.911 0.952 268 HB VAL 35 HB VAL 35 83.182 -1.555 -1.875 269 1HG1 VAL 35 HG12 VAL 35 82.005 0.211 0.188 270 2HG1 VAL 35 HG11 VAL 35 82.274 0.966 -1.385 271 3HG1 VAL 35 HG13 VAL 35 81.270 -0.476 -1.261 272 1HG2 VAL 35 HG21 VAL 35 84.764 0.721 -0.648 273 2HG2 VAL 35 HG23 VAL 35 85.438 -0.603 -1.595 274 3HG2 VAL 35 HG22 VAL 35 84.355 0.566 -2.347 275 H ARG 36 HN ARG 36 82.128 -0.943 2.110 276 HA ARG 36 HA ARG 36 80.188 -3.114 1.533 277 1HB ARG 36 2HB ARG 36 82.114 -3.566 3.360 278 2HB ARG 36 3HB ARG 36 80.986 -2.705 4.390 279 1HG ARG 36 2HG ARG 36 79.851 -4.863 2.668 280 2HG ARG 36 3HG ARG 36 80.887 -5.375 3.992 281 1HD ARG 36 2HD ARG 36 79.152 -5.142 5.392 282 2HD ARG 36 3HD ARG 36 79.147 -3.407 5.062 283 HE ARG 36 HE ARG 36 77.747 -4.337 2.938 284 1HH1 ARG 36 HH21 ARG 36 77.666 -5.122 6.293 285 2HH1 ARG 36 HH22 ARG 36 75.943 -5.290 6.348 286 1HH2 ARG 36 HH11 ARG 36 75.508 -4.551 2.986 287 2HH2 ARG 36 HH12 ARG 36 74.718 -4.966 4.472 288 H GLU 37 HN GLU 37 78.466 -2.746 3.666 289 HA GLU 37 HA GLU 37 77.654 0.081 3.234 290 1HB GLU 37 2HB GLU 37 75.984 -2.052 4.560 291 2HB GLU 37 3HB GLU 37 75.443 -0.615 3.684 292 1HG GLU 37 2HG GLU 37 76.690 -1.726 1.658 293 2HG GLU 37 3HG GLU 37 76.502 -3.208 2.602 294 H SER 38 HN SER 38 76.309 0.793 5.394 295 HA SER 38 HA SER 38 78.320 0.835 7.529 296 1HB SER 38 2HB SER 38 75.461 1.875 7.492 297 2HB SER 38 3HB SER 38 76.658 2.220 8.734 298 HG SER 38 HG SER 38 77.139 3.833 7.481 299 H SER 39 HN SER 39 76.650 -1.508 6.420 300 HA SER 39 HA SER 39 75.811 -3.511 7.240 301 1HB SER 39 2HB SER 39 76.854 -2.467 9.895 302 2HB SER 39 3HB SER 39 76.372 -4.126 9.565 303 HG SER 39 HG SER 39 78.219 -2.957 7.842 304 H LYS 40 HN LYS 40 74.387 -0.734 7.524 305 HA LYS 40 HA LYS 40 71.908 -1.797 8.527 306 1HB LYS 40 2HB LYS 40 73.100 -1.477 10.686 307 2HB LYS 40 3HB LYS 40 73.295 0.232 10.298 308 1HG LYS 40 2HG LYS 40 71.174 0.707 10.895 309 2HG LYS 40 3HG LYS 40 70.536 -0.643 9.957 310 1HD LYS 40 2HD LYS 40 71.175 -2.188 11.794 311 2HD LYS 40 3HD LYS 40 71.730 -0.801 12.737 312 1HE LYS 40 2HE LYS 40 69.453 -1.361 13.400 313 2HE LYS 40 3HE LYS 40 69.461 0.189 12.563 314 1HZ LYS 40 HZ2 LYS 40 69.145 -1.606 10.553 315 2HZ LYS 40 HZ1 LYS 40 68.216 -2.285 11.802 316 3HZ LYS 40 HZ3 LYS 40 67.899 -0.707 11.274 317 H GLN 41 HN GLN 41 73.203 1.499 8.940 318 HA GLN 41 HA GLN 41 70.981 2.751 7.672 319 1HB GLN 41 2HB GLN 41 73.825 3.720 8.073 320 2HB GLN 41 3HB GLN 41 72.494 4.748 7.531 321 1HG GLN 41 2HG GLN 41 71.247 4.236 9.581 322 2HG GLN 41 3HG GLN 41 72.552 3.184 10.125 323 1HE2 GLN 41 HE22 GLN 41 72.982 6.621 11.596 324 2HE2 GLN 41 HE21 GLN 41 71.704 5.502 11.602 325 H GLY 42 HN GLY 42 70.729 3.587 5.576 326 1HA GLY 42 2HA GLY 42 71.757 2.027 3.428 327 2HA GLY 42 3HA GLY 42 70.914 3.566 3.248 328 H CYS 43 HN CYS 43 73.591 3.889 5.301 329 HA CYS 43 HA CYS 43 74.983 5.457 3.264 330 1HB CYS 43 2HB CYS 43 75.721 4.806 6.134 331 2HB CYS 43 3HB CYS 43 76.612 5.922 5.100 332 HG CYS 43 HG CYS 43 74.436 7.432 5.009 333 H TYR 44 HN TYR 44 77.456 5.082 3.018 334 HA TYR 44 HA TYR 44 77.875 2.151 2.670 335 1HB TYR 44 2HB TYR 44 79.143 4.483 1.209 336 2HB TYR 44 3HB TYR 44 79.543 2.786 0.933 337 HD1 TYR 44 HD2 TYR 44 76.919 5.358 0.654 338 HD2 TYR 44 HD1 TYR 44 78.017 1.310 -0.239 339 HE1 TYR 44 HE2 TYR 44 74.967 5.165 -0.868 340 HE2 TYR 44 HE1 TYR 44 76.063 1.110 -1.758 341 HH TYR 44 HH TYR 44 74.506 3.447 -3.080 342 H ALA 45 HN ALA 45 79.991 1.271 3.087 343 HA ALA 45 HA ALA 45 81.927 2.898 4.587 344 1HB ALA 45 HB1 ALA 45 80.400 0.633 5.906 345 2HB ALA 45 HB3 ALA 45 81.862 1.361 6.572 346 3HB ALA 45 HB2 ALA 45 80.397 2.327 6.389 347 H CYS 46 HN CYS 46 83.931 2.146 4.104 348 HA CYS 46 HA CYS 46 84.111 -0.620 3.007 349 1HB CYS 46 2HB CYS 46 85.984 0.130 1.647 350 2HB CYS 46 3HB CYS 46 84.685 1.295 1.428 351 HG CYS 46 HG CYS 46 87.344 1.823 2.895 352 H SER 47 HN SER 47 85.994 -1.821 3.599 353 HA SER 47 HA SER 47 87.241 -0.872 6.151 354 1HB SER 47 2HB SER 47 86.581 -3.708 5.305 355 2HB SER 47 3HB SER 47 87.425 -3.275 6.787 356 HG SER 47 HG SER 47 85.297 -1.781 6.740 357 H VAL 48 HN VAL 48 89.468 -1.115 6.358 358 HA VAL 48 HA VAL 48 90.886 -2.349 4.043 359 HB VAL 48 HB VAL 48 91.104 -0.018 3.599 360 1HG1 VAL 48 HG11 VAL 48 91.520 0.216 6.574 361 2HG1 VAL 48 HG13 VAL 48 91.972 1.509 5.465 362 3HG1 VAL 48 HG12 VAL 48 90.289 0.995 5.581 363 1HG2 VAL 48 HG22 VAL 48 93.250 -1.471 3.788 364 2HG2 VAL 48 HG21 VAL 48 93.442 0.278 3.693 365 3HG2 VAL 48 HG23 VAL 48 93.568 -0.539 5.253 366 H VAL 49 HN VAL 49 93.129 -2.936 4.619 367 HA VAL 49 HA VAL 49 93.382 -3.507 7.544 368 HB VAL 49 HB VAL 49 94.504 -5.091 5.227 369 1HG1 VAL 49 HG13 VAL 49 95.830 -5.188 7.304 370 2HG1 VAL 49 HG12 VAL 49 94.385 -5.645 8.202 371 3HG1 VAL 49 HG11 VAL 49 95.046 -6.732 6.981 372 1HG2 VAL 49 HG22 VAL 49 92.007 -5.167 5.458 373 2HG2 VAL 49 HG21 VAL 49 92.787 -6.723 5.724 374 3HG2 VAL 49 HG23 VAL 49 92.224 -5.777 7.098 375 H VAL 50 HN VAL 50 95.240 -2.715 8.500 376 HA VAL 50 HA VAL 50 97.294 -1.669 6.600 377 HB VAL 50 HB VAL 50 96.077 0.082 7.932 378 1HG1 VAL 50 HG12 VAL 50 95.781 -1.259 9.978 379 2HG1 VAL 50 HG11 VAL 50 97.523 -1.257 10.238 380 3HG1 VAL 50 HG13 VAL 50 96.613 0.252 10.329 381 1HG2 VAL 50 HG21 VAL 50 98.690 -0.054 7.218 382 2HG2 VAL 50 HG23 VAL 50 97.981 1.351 8.014 383 3HG2 VAL 50 HG22 VAL 50 98.862 0.151 8.961 384 H ASP 51 HN ASP 51 99.468 -1.569 7.505 385 HA ASP 51 HA ASP 51 100.404 -4.116 8.296 386 1HB ASP 51 2HB ASP 51 101.696 -1.381 8.381 387 2HB ASP 51 3HB ASP 51 102.568 -2.870 8.748 388 H GLY 52 HN GLY 52 98.399 -2.931 10.199 389 1HA GLY 52 2HA GLY 52 99.883 -3.671 12.617 390 2HA GLY 52 3HA GLY 52 99.280 -2.017 12.601 391 H GLU 53 HN GLU 53 96.779 -2.588 11.189 392 HA GLU 53 HA GLU 53 95.419 -4.637 12.820 393 1HB GLU 53 2HB GLU 53 94.955 -1.695 13.304 394 2HB GLU 53 3HB GLU 53 93.789 -2.934 13.762 395 1HG GLU 53 2HG GLU 53 95.033 -2.724 15.719 396 2HG GLU 53 3HG GLU 53 95.853 -4.065 14.920 397 H VAL 54 HN VAL 54 93.074 -4.750 12.405 398 HA VAL 54 HA VAL 54 92.500 -4.131 9.569 399 HB VAL 54 HB VAL 54 90.931 -5.718 11.632 400 1HG1 VAL 54 HG11 VAL 54 89.486 -4.656 9.930 401 2HG1 VAL 54 HG13 VAL 54 90.478 -5.370 8.654 402 3HG1 VAL 54 HG12 VAL 54 89.540 -6.405 9.731 403 1HG2 VAL 54 HG23 VAL 54 93.233 -6.463 10.374 404 2HG2 VAL 54 HG22 VAL 54 91.966 -7.599 10.834 405 3HG2 VAL 54 HG21 VAL 54 92.037 -6.980 9.186 406 H LYS 55 HN LYS 55 90.877 -2.642 8.961 407 HA LYS 55 HA LYS 55 89.541 -1.192 11.210 408 1HB LYS 55 2HB LYS 55 90.896 -0.012 8.776 409 2HB LYS 55 3HB LYS 55 89.954 0.916 9.946 410 1HG LYS 55 2HG LYS 55 92.027 1.168 10.924 411 2HG LYS 55 3HG LYS 55 91.597 -0.385 11.645 412 1HD LYS 55 2HD LYS 55 93.705 -0.848 10.754 413 2HD LYS 55 3HD LYS 55 92.631 -1.386 9.457 414 1HE LYS 55 2HE LYS 55 92.970 1.315 8.924 415 2HE LYS 55 3HE LYS 55 94.570 0.802 9.473 416 1HZ LYS 55 HZ1 LYS 55 94.407 -1.076 7.902 417 2HZ LYS 55 HZ3 LYS 55 92.953 -0.435 7.312 418 3HZ LYS 55 HZ2 LYS 55 94.402 0.437 7.129 419 H HIS 56 HN HIS 56 87.665 0.146 10.467 420 HA HIS 56 HA HIS 56 86.309 -1.009 8.069 421 1HB HIS 56 2HB HIS 56 85.044 -0.412 10.765 422 2HB HIS 56 3HB HIS 56 84.156 -0.877 9.313 423 HD1 HIS 56 HD1 HIS 56 85.727 -3.138 8.187 424 HD2 HIS 56 HD2 HIS 56 85.155 -2.716 12.288 425 HE1 HIS 56 HE1 HIS 56 86.043 -5.439 9.194 426 H CYS 57 HN CYS 57 87.255 1.026 7.117 427 HA CYS 57 HA CYS 57 86.607 3.634 8.002 428 1HB CYS 57 2HB CYS 57 88.229 3.154 6.179 429 2HB CYS 57 3HB CYS 57 86.887 2.702 5.130 430 HG CYS 57 HG CYS 57 86.193 5.123 4.920 431 H VAL 58 HN VAL 58 84.795 4.842 7.906 432 HA VAL 58 HA VAL 58 82.372 3.564 6.756 433 HB VAL 58 HB VAL 58 82.911 5.472 8.992 434 1HG1 VAL 58 HG13 VAL 58 80.485 5.544 7.199 435 2HG1 VAL 58 HG12 VAL 58 80.332 5.921 8.914 436 3HG1 VAL 58 HG11 VAL 58 81.390 6.895 7.889 437 1HG2 VAL 58 HG21 VAL 58 82.451 3.019 9.274 438 2HG2 VAL 58 HG23 VAL 58 81.297 4.047 10.119 439 3HG2 VAL 58 HG22 VAL 58 80.847 3.288 8.591 440 H ILE 59 HN ILE 59 81.307 4.484 5.066 441 HA ILE 59 HA ILE 59 82.359 7.077 4.027 442 HB ILE 59 HB ILE 59 80.820 4.930 2.530 443 1HG1 ILE 59 HG12 ILE 59 83.043 4.106 3.181 444 2HG1 ILE 59 HG11 ILE 59 83.005 4.434 1.453 445 1HG2 ILE 59 HG23 ILE 59 80.704 7.361 1.741 446 2HG2 ILE 59 HG22 ILE 59 82.432 7.236 1.421 447 3HG2 ILE 59 HG21 ILE 59 81.301 6.194 0.561 448 1HD1 ILE 59 HD11 ILE 59 83.910 6.786 2.117 449 2HD1 ILE 59 HD13 ILE 59 84.340 6.011 3.642 450 3HD1 ILE 59 HD12 ILE 59 85.026 5.420 2.128 451 H ASN 60 HN ASN 60 80.935 8.811 4.070 452 HA ASN 60 HA ASN 60 78.081 8.167 4.718 453 1HB ASN 60 2HB ASN 60 79.784 10.566 5.420 454 2HB ASN 60 3HB ASN 60 78.051 10.466 5.730 455 1HD2 ASN 60 HD22 ASN 60 80.482 8.906 8.430 456 2HD2 ASN 60 HD21 ASN 60 80.914 10.096 7.303 457 H LYS 61 HN LYS 61 76.590 8.748 3.207 458 HA LYS 61 HA LYS 61 77.453 10.733 1.145 459 1HB LYS 61 2HB LYS 61 76.935 8.451 0.288 460 2HB LYS 61 3HB LYS 61 75.299 8.610 0.927 461 1HG LYS 61 2HG LYS 61 74.977 10.635 -0.494 462 2HG LYS 61 3HG LYS 61 76.582 10.375 -1.178 463 1HD LYS 61 2HD LYS 61 75.880 8.145 -1.978 464 2HD LYS 61 3HD LYS 61 74.270 8.420 -1.314 465 1HE LYS 61 2HE LYS 61 73.904 10.291 -2.804 466 2HE LYS 61 3HE LYS 61 75.571 10.217 -3.379 467 1HZ LYS 61 HZ1 LYS 61 74.852 7.758 -3.911 468 2HZ LYS 61 HZ3 LYS 61 73.312 8.462 -3.986 469 3HZ LYS 61 HZ2 LYS 61 74.554 9.026 -5.001 470 H THR 62 HN THR 62 76.484 12.651 1.278 471 HA THR 62 HA THR 62 73.783 12.807 2.555 472 HB THR 62 HB THR 62 76.078 14.798 2.623 473 HG1 THR 62 HG1 THR 62 75.329 14.297 4.994 474 1HG2 THR 62 HG21 THR 62 73.173 15.049 3.236 475 2HG2 THR 62 HG23 THR 62 74.306 15.809 4.355 476 3HG2 THR 62 HG22 THR 62 74.309 16.265 2.651 477 H ALA 63 HN ALA 63 75.657 13.240 -0.199 478 HA ALA 63 HA ALA 63 73.785 13.756 -2.091 479 1HB ALA 63 HB1 ALA 63 74.303 16.241 -0.502 480 2HB ALA 63 HB3 ALA 63 74.087 16.397 -2.248 481 3HB ALA 63 HB2 ALA 63 72.810 15.689 -1.260 482 H THR 64 HN THR 64 76.718 15.361 -0.900 483 HA THR 64 HA THR 64 78.192 14.365 -3.228 484 HB THR 64 HB THR 64 77.971 17.355 -2.716 485 HG1 THR 64 HG1 THR 64 77.061 17.056 -4.983 486 1HG2 THR 64 HG21 THR 64 80.172 16.519 -3.585 487 2HG2 THR 64 HG23 THR 64 79.317 15.817 -4.957 488 3HG2 THR 64 HG22 THR 64 79.335 17.565 -4.725 489 H GLY 65 HN GLY 65 78.745 13.420 -0.862 490 1HA GLY 65 2HA GLY 65 81.233 14.838 -0.067 491 2HA GLY 65 3HA GLY 65 80.050 14.476 1.191 492 H TYR 66 HN TYR 66 79.211 11.942 0.576 493 HA TYR 66 HA TYR 66 79.836 9.701 0.859 494 1HB TYR 66 2HB TYR 66 82.177 10.673 -0.798 495 2HB TYR 66 3HB TYR 66 81.886 8.979 -0.404 496 HD1 TYR 66 HD1 TYR 66 79.765 7.858 -1.190 497 HD2 TYR 66 HD2 TYR 66 80.901 11.799 -2.471 498 HE1 TYR 66 HE1 TYR 66 78.156 7.710 -3.076 499 HE2 TYR 66 HE2 TYR 66 79.292 11.653 -4.348 500 HH TYR 66 HH TYR 66 77.798 8.727 -5.263 501 H GLY 67 HN GLY 67 82.987 9.305 0.910 502 1HA GLY 67 2HA GLY 67 83.217 9.056 3.724 503 2HA GLY 67 3HA GLY 67 84.582 9.070 2.613 504 H PHE 68 HN PHE 68 85.900 10.379 3.983 505 HA PHE 68 HA PHE 68 84.951 12.858 5.111 506 1HB PHE 68 2HB PHE 68 87.381 13.342 5.457 507 2HB PHE 68 3HB PHE 68 86.897 11.762 6.072 508 HD1 PHE 68 HD1 PHE 68 88.724 13.539 3.400 509 HD2 PHE 68 HD2 PHE 68 87.582 9.723 4.984 510 HE1 PHE 68 HE1 PHE 68 90.396 12.437 1.935 511 HE2 PHE 68 HE2 PHE 68 89.250 8.614 3.529 512 HZ PHE 68 HZ PHE 68 90.664 9.965 1.999 513 H ALA 69 HN ALA 69 84.786 14.842 4.135 514 HA ALA 69 HA ALA 69 86.082 15.170 1.445 515 1HB ALA 69 HB2 ALA 69 83.375 16.069 2.439 516 2HB ALA 69 HB1 ALA 69 84.141 16.780 1.016 517 3HB ALA 69 HB3 ALA 69 83.745 15.064 1.038 518 H GLU 70 HN GLU 70 87.214 17.059 1.123 519 HA GLU 70 HA GLU 70 87.979 18.620 3.437 520 1HB GLU 70 2HB GLU 70 88.441 18.989 0.457 521 2HB GLU 70 3HB GLU 70 89.181 20.011 1.683 522 1HG GLU 70 2HG GLU 70 90.274 18.060 2.691 523 2HG GLU 70 3HG GLU 70 89.492 17.001 1.517 524 HA PRO 71 HA PRO 71 85.054 21.938 3.852 525 1HB PRO 71 2HB PRO 71 87.012 23.714 2.450 526 2HB PRO 71 3HB PRO 71 86.130 23.982 3.963 527 1HG PRO 71 2HG PRO 71 88.759 23.148 3.785 528 2HG PRO 71 3HG PRO 71 87.715 22.965 5.202 529 1HD PRO 71 2HD PRO 71 88.795 20.879 3.561 530 2HD PRO 71 3HD PRO 71 87.691 20.705 4.938 531 H TYR 72 HN TYR 72 86.632 21.332 0.803 532 HA TYR 72 HA TYR 72 84.181 22.248 -0.643 533 1HB TYR 72 2HB TYR 72 87.066 22.206 -1.584 534 2HB TYR 72 3HB TYR 72 85.687 22.559 -2.625 535 HD1 TYR 72 HD1 TYR 72 87.699 23.733 0.238 536 HD2 TYR 72 HD2 TYR 72 84.507 24.680 -2.472 537 HE1 TYR 72 HE1 TYR 72 87.773 26.097 0.979 538 HE2 TYR 72 HE2 TYR 72 84.579 27.043 -1.733 539 HH TYR 72 HH TYR 72 86.048 28.063 1.027 540 H ASN 73 HN ASN 73 83.080 20.501 -1.303 541 HA ASN 73 HA ASN 73 84.093 17.846 -1.235 542 1HB ASN 73 2HB ASN 73 81.758 19.018 -2.767 543 2HB ASN 73 3HB ASN 73 82.082 17.289 -2.628 544 1HD2 ASN 73 HD22 ASN 73 79.982 18.930 0.285 545 2HD2 ASN 73 HD21 ASN 73 80.081 19.517 -1.302 546 H LEU 74 HN LEU 74 85.445 16.824 -2.606 547 HA LEU 74 HA LEU 74 85.731 17.959 -5.368 548 1HB LEU 74 2HB LEU 74 87.790 16.527 -3.652 549 2HB LEU 74 3HB LEU 74 88.054 17.048 -5.317 550 HG LEU 74 HG LEU 74 87.346 18.880 -3.006 551 1HD1 LEU 74 HD11 LEU 74 89.959 18.398 -4.473 552 2HD1 LEU 74 HD13 LEU 74 89.690 19.698 -3.309 553 3HD1 LEU 74 HD12 LEU 74 89.626 18.016 -2.785 554 1HD2 LEU 74 HD21 LEU 74 87.799 19.285 -5.962 555 2HD2 LEU 74 HD23 LEU 74 86.520 19.942 -4.940 556 3HD2 LEU 74 HD22 LEU 74 88.156 20.586 -4.827 557 H TYR 75 HN TYR 75 84.431 15.437 -3.709 558 HA TYR 75 HA TYR 75 85.249 13.350 -5.645 559 1HB TYR 75 2HB TYR 75 83.462 13.226 -3.193 560 2HB TYR 75 3HB TYR 75 83.981 11.831 -4.144 561 HD1 TYR 75 HD1 TYR 75 86.420 11.220 -4.235 562 HD2 TYR 75 HD2 TYR 75 84.923 14.316 -1.660 563 HE1 TYR 75 HE1 TYR 75 88.538 11.183 -2.952 564 HE2 TYR 75 HE2 TYR 75 87.045 14.276 -0.380 565 HH TYR 75 HH TYR 75 89.823 12.625 -1.528 566 H SER 76 HN SER 76 83.944 12.736 -7.369 567 HA SER 76 HA SER 76 81.222 13.973 -7.510 568 1HB SER 76 2HB SER 76 82.729 14.587 -9.361 569 2HB SER 76 3HB SER 76 82.963 12.881 -9.739 570 HG SER 76 HG SER 76 81.285 14.036 -10.969 571 H SER 77 HN SER 77 82.938 10.882 -8.110 572 HA SER 77 HA SER 77 80.322 9.534 -7.658 573 1HB SER 77 2HB SER 77 80.739 7.986 -9.503 574 2HB SER 77 3HB SER 77 80.733 9.637 -10.115 575 HG SER 77 HG SER 77 82.779 7.793 -9.927 576 H LEU 78 HN LEU 78 80.651 7.166 -7.212 577 HA LEU 78 HA LEU 78 82.556 6.799 -5.121 578 1HB LEU 78 2HB LEU 78 80.952 4.814 -6.753 579 2HB LEU 78 3HB LEU 78 81.930 4.360 -5.357 580 HG LEU 78 HG LEU 78 79.794 6.501 -5.216 581 1HD1 LEU 78 HD12 LEU 78 79.620 3.513 -4.949 582 2HD1 LEU 78 HD11 LEU 78 78.594 4.533 -3.939 583 3HD1 LEU 78 HD13 LEU 78 78.476 4.630 -5.697 584 1HD2 LEU 78 HD23 LEU 78 81.496 4.968 -3.256 585 2HD2 LEU 78 HD22 LEU 78 81.251 6.710 -3.374 586 3HD2 LEU 78 HD21 LEU 78 79.963 5.677 -2.748 587 H LYS 79 HN LYS 79 82.670 6.121 -8.572 588 HA LYS 79 HA LYS 79 84.930 4.395 -8.590 589 1HB LYS 79 2HB LYS 79 83.906 6.400 -10.621 590 2HB LYS 79 3HB LYS 79 85.275 5.333 -10.940 591 1HG LYS 79 2HG LYS 79 83.859 3.370 -10.431 592 2HG LYS 79 3HG LYS 79 82.483 4.441 -10.160 593 1HD LYS 79 2HD LYS 79 82.700 5.259 -12.512 594 2HD LYS 79 3HD LYS 79 84.009 4.102 -12.758 595 1HE LYS 79 2HE LYS 79 81.914 3.156 -13.596 596 2HE LYS 79 3HE LYS 79 82.463 2.245 -12.191 597 1HZ LYS 79 HZ3 LYS 79 80.728 4.484 -11.599 598 2HZ LYS 79 HZ2 LYS 79 79.997 3.229 -12.481 599 3HZ LYS 79 HZ1 LYS 79 80.722 2.904 -10.978 600 H GLU 80 HN GLU 80 84.734 7.949 -8.612 601 HA GLU 80 HA GLU 80 87.621 8.280 -8.783 602 1HB GLU 80 2HB GLU 80 85.412 10.192 -7.970 603 2HB GLU 80 3HB GLU 80 87.095 10.662 -8.216 604 1HG GLU 80 2HG GLU 80 86.973 9.840 -10.549 605 2HG GLU 80 3HG GLU 80 85.285 9.401 -10.296 606 H LEU 81 HN LEU 81 85.288 7.858 -6.216 607 HA LEU 81 HA LEU 81 86.900 8.910 -4.081 608 1HB LEU 81 2HB LEU 81 84.458 8.509 -3.931 609 2HB LEU 81 3HB LEU 81 84.758 6.773 -3.963 610 HG LEU 81 HG LEU 81 86.298 8.309 -1.939 611 1HD1 LEU 81 HD13 LEU 81 83.949 9.310 -1.964 612 2HD1 LEU 81 HD12 LEU 81 83.356 7.704 -1.542 613 3HD1 LEU 81 HD11 LEU 81 84.428 8.563 -0.439 614 1HD2 LEU 81 HD21 LEU 81 86.368 5.823 -2.179 615 2HD2 LEU 81 HD23 LEU 81 85.744 6.314 -0.603 616 3HD2 LEU 81 HD22 LEU 81 84.636 5.771 -1.861 617 H VAL 82 HN VAL 82 86.538 5.617 -5.405 618 HA VAL 82 HA VAL 82 88.280 4.397 -3.463 619 HB VAL 82 HB VAL 82 86.596 3.230 -5.029 620 1HG1 VAL 82 HG11 VAL 82 87.730 4.307 -7.087 621 2HG1 VAL 82 HG13 VAL 82 88.961 3.063 -6.884 622 3HG1 VAL 82 HG12 VAL 82 87.284 2.606 -7.189 623 1HG2 VAL 82 HG22 VAL 82 88.509 2.222 -3.559 624 2HG2 VAL 82 HG21 VAL 82 87.730 1.205 -4.768 625 3HG2 VAL 82 HG23 VAL 82 89.301 1.933 -5.106 626 H LEU 83 HN LEU 83 88.854 5.534 -6.793 627 HA LEU 83 HA LEU 83 91.619 4.803 -6.842 628 1HB LEU 83 2HB LEU 83 90.048 6.881 -8.374 629 2HB LEU 83 3HB LEU 83 91.738 6.498 -8.706 630 HG LEU 83 HG LEU 83 89.503 4.451 -8.725 631 1HD1 LEU 83 HD11 LEU 83 89.505 6.336 -10.510 632 2HD1 LEU 83 HD13 LEU 83 90.966 5.563 -11.117 633 3HD1 LEU 83 HD12 LEU 83 89.447 4.664 -11.081 634 1HD2 LEU 83 HD22 LEU 83 92.448 4.396 -8.924 635 2HD2 LEU 83 HD21 LEU 83 91.328 3.092 -8.542 636 3HD2 LEU 83 HD23 LEU 83 91.634 3.525 -10.223 637 H HIS 84 HN HIS 84 89.990 7.825 -5.908 638 HA HIS 84 HA HIS 84 92.286 9.462 -5.626 639 1HB HIS 84 2HB HIS 84 89.856 10.188 -5.497 640 2HB HIS 84 3HB HIS 84 89.831 9.556 -3.851 641 HD1 HIS 84 HD1 HIS 84 91.029 12.402 -5.899 642 HD2 HIS 84 HD2 HIS 84 91.539 10.992 -2.015 643 HE1 HIS 84 HE1 HIS 84 92.052 14.299 -4.576 644 H TYR 85 HN TYR 85 90.777 7.243 -3.302 645 HA TYR 85 HA TYR 85 92.651 7.920 -1.187 646 1HB TYR 85 2HB TYR 85 90.709 5.627 -1.569 647 2HB TYR 85 3HB TYR 85 91.696 5.815 -0.122 648 HD1 TYR 85 HD2 TYR 85 90.817 9.003 -1.515 649 HD2 TYR 85 HD1 TYR 85 89.308 5.819 0.932 650 HE1 TYR 85 HE2 TYR 85 89.132 10.531 -0.564 651 HE2 TYR 85 HE1 TYR 85 87.621 7.357 1.883 652 HH TYR 85 HH TYR 85 87.759 10.381 1.969 653 H GLN 86 HN GLN 86 92.639 5.683 -3.853 654 HA GLN 86 HA GLN 86 94.597 3.839 -2.867 655 1HB GLN 86 2HB GLN 86 93.329 3.269 -4.833 656 2HB GLN 86 3HB GLN 86 93.901 4.708 -5.682 657 1HG GLN 86 2HG GLN 86 96.100 3.886 -5.853 658 2HG GLN 86 3HG GLN 86 95.830 2.668 -4.611 659 1HE2 GLN 86 HE22 GLN 86 95.086 1.740 -8.440 660 2HE2 GLN 86 HE21 GLN 86 95.920 3.140 -7.967 661 H HIS 87 HN HIS 87 94.910 6.971 -4.519 662 HA HIS 87 HA HIS 87 97.865 6.684 -4.505 663 1HB HIS 87 2HB HIS 87 97.941 8.698 -5.821 664 2HB HIS 87 3HB HIS 87 96.656 7.693 -6.495 665 HD1 HIS 87 HD1 HIS 87 97.038 10.556 -3.988 666 HD2 HIS 87 HD2 HIS 87 94.231 9.004 -6.649 667 HE1 HIS 87 HE1 HIS 87 95.072 12.155 -3.967 668 H THR 88 HN THR 88 95.460 7.745 -2.432 669 HA THR 88 HA THR 88 97.259 9.758 -1.153 670 HB THR 88 HB THR 88 94.333 9.192 -0.574 671 HG1 THR 88 HG1 THR 88 93.915 10.408 -2.221 672 1HG2 THR 88 HG21 THR 88 96.198 11.466 0.168 673 2HG2 THR 88 HG23 THR 88 94.465 11.449 0.482 674 3HG2 THR 88 HG22 THR 88 95.513 10.271 1.271 675 H SER 89 HN SER 89 98.050 9.370 0.872 676 HA SER 89 HA SER 89 97.722 6.633 1.930 677 1HB SER 89 2HB SER 89 99.623 8.896 2.348 678 2HB SER 89 3HB SER 89 99.455 7.709 3.639 679 HG SER 89 HG SER 89 101.073 7.250 1.968 680 H LEU 90 HN LEU 90 96.462 6.173 3.637 681 HA LEU 90 HA LEU 90 94.716 8.169 4.786 682 1HB LEU 90 2HB LEU 90 95.318 5.302 5.512 683 2HB LEU 90 3HB LEU 90 94.027 6.256 6.257 684 HG LEU 90 HG LEU 90 94.275 5.860 3.271 685 1HD1 LEU 90 HD13 LEU 90 93.807 3.817 5.018 686 2HD1 LEU 90 HD12 LEU 90 92.168 4.416 4.760 687 3HD1 LEU 90 HD11 LEU 90 93.144 3.888 3.389 688 1HD2 LEU 90 HD23 LEU 90 92.323 7.114 5.143 689 2HD2 LEU 90 HD22 LEU 90 92.832 7.629 3.537 690 3HD2 LEU 90 HD21 LEU 90 91.688 6.300 3.712 691 H VAL 91 HN VAL 91 97.862 7.039 5.594 692 HA VAL 91 HA VAL 91 98.291 7.133 8.280 693 HB VAL 91 HB VAL 91 100.095 7.256 6.544 694 1HG1 VAL 91 HG11 VAL 91 98.873 9.288 5.442 695 2HG1 VAL 91 HG13 VAL 91 99.781 10.244 6.611 696 3HG1 VAL 91 HG12 VAL 91 100.632 9.242 5.437 697 1HG2 VAL 91 HG23 VAL 91 100.169 8.096 9.136 698 2HG2 VAL 91 HG22 VAL 91 101.591 8.006 8.097 699 3HG2 VAL 91 HG21 VAL 91 100.751 9.540 8.309 700 H GLN 92 HN GLN 92 97.652 10.044 6.323 701 HA GLN 92 HA GLN 92 97.757 11.941 8.400 702 1HB GLN 92 2HB GLN 92 96.141 11.907 5.841 703 2HB GLN 92 3HB GLN 92 96.214 13.301 6.915 704 1HG GLN 92 2HG GLN 92 98.684 13.342 6.676 705 2HG GLN 92 3HG GLN 92 98.584 11.988 5.548 706 1HE2 GLN 92 HE22 GLN 92 98.398 14.509 3.016 707 2HE2 GLN 92 HE21 GLN 92 99.355 13.279 3.694 708 H HIS 93 HN HIS 93 94.871 10.109 7.248 709 HA HIS 93 HA HIS 93 92.957 11.342 8.889 710 1HB HIS 93 2HB HIS 93 93.326 8.417 8.187 711 2HB HIS 93 3HB HIS 93 91.892 9.032 9.009 712 HD1 HIS 93 HD1 HIS 93 93.684 9.091 5.715 713 HD2 HIS 93 HD2 HIS 93 90.182 10.623 7.366 714 HE1 HIS 93 HE1 HIS 93 92.306 9.962 3.777 715 H ASN 94 HN ASN 94 95.157 8.668 9.663 716 HA ASN 94 HA ASN 94 95.229 9.607 12.489 717 1HB ASN 94 2HB ASN 94 94.913 6.714 11.608 718 2HB ASN 94 3HB ASN 94 95.367 7.199 13.235 719 1HD2 ASN 94 HD22 ASN 94 91.624 6.817 13.089 720 2HD2 ASN 94 HD21 ASN 94 92.919 5.768 12.772 721 H ASP 95 HN ASP 95 97.343 10.222 12.703 722 HA ASP 95 HA ASP 95 99.447 9.991 11.062 723 1HB ASP 95 2HB ASP 95 99.520 9.621 14.065 724 2HB ASP 95 3HB ASP 95 100.980 9.799 13.091 725 H SER 96 HN SER 96 98.028 7.197 12.573 726 HA SER 96 HA SER 96 100.359 5.586 11.659 727 1HB SER 96 2HB SER 96 98.174 4.969 13.647 728 2HB SER 96 3HB SER 96 99.301 3.753 13.056 729 HG SER 96 HG SER 96 100.989 4.966 13.901 730 H LEU 97 HN LEU 97 97.934 6.601 10.000 731 HA LEU 97 HA LEU 97 96.904 3.909 9.220 732 1HB LEU 97 2HB LEU 97 95.970 6.706 8.831 733 2HB LEU 97 3HB LEU 97 95.579 5.530 7.585 734 HG LEU 97 HG LEU 97 95.126 4.909 10.487 735 1HD1 LEU 97 HD13 LEU 97 93.934 7.045 9.718 736 2HD1 LEU 97 HD12 LEU 97 93.035 6.016 8.607 737 3HD1 LEU 97 HD11 LEU 97 92.902 5.761 10.346 738 1HD2 LEU 97 HD21 LEU 97 94.953 3.451 8.096 739 2HD2 LEU 97 HD23 LEU 97 94.292 2.979 9.661 740 3HD2 LEU 97 HD22 LEU 97 93.284 3.845 8.503 741 H ASN 98 HN ASN 98 99.446 3.903 8.586 742 HA ASN 98 HA ASN 98 99.987 5.143 6.002 743 1HB ASN 98 2HB ASN 98 101.766 4.656 7.700 744 2HB ASN 98 3HB ASN 98 101.511 2.936 7.404 745 1HD2 ASN 98 HD22 ASN 98 102.965 3.003 4.129 746 2HD2 ASN 98 HD21 ASN 98 101.806 2.212 5.083 747 H VAL 99 HN VAL 99 98.260 4.323 4.758 748 HA VAL 99 HA VAL 99 98.881 1.883 3.342 749 HB VAL 99 HB VAL 99 97.787 0.961 5.389 750 1HG1 VAL 99 HG12 VAL 99 96.123 3.179 5.079 751 2HG1 VAL 99 HG11 VAL 99 95.104 1.816 4.625 752 3HG1 VAL 99 HG13 VAL 99 95.875 1.849 6.212 753 1HG2 VAL 99 HG21 VAL 99 97.597 -0.058 3.064 754 2HG2 VAL 99 HG23 VAL 99 96.330 -0.521 4.199 755 3HG2 VAL 99 HG22 VAL 99 96.005 0.694 2.964 756 H THR 100 HN THR 100 97.582 1.707 1.443 757 HA THR 100 HA THR 100 95.683 3.978 0.929 758 HB THR 100 HB THR 100 96.638 4.295 -1.266 759 HG1 THR 100 HG1 THR 100 97.627 2.698 -2.159 760 1HG2 THR 100 HG22 THR 100 98.307 4.458 1.135 761 2HG2 THR 100 HG21 THR 100 99.246 4.363 -0.354 762 3HG2 THR 100 HG23 THR 100 98.054 5.645 -0.141 763 H LEU 101 HN LEU 101 94.117 3.461 -0.835 764 HA LEU 101 HA LEU 101 93.268 0.655 -0.729 765 1HB LEU 101 2HB LEU 101 92.197 2.897 -2.472 766 2HB LEU 101 3HB LEU 101 91.380 1.385 -2.066 767 HG LEU 101 HG LEU 101 92.077 3.666 -0.211 768 1HD1 LEU 101 HD12 LEU 101 89.934 3.592 -1.650 769 2HD1 LEU 101 HD11 LEU 101 89.426 2.277 -0.597 770 3HD1 LEU 101 HD13 LEU 101 89.739 3.872 0.079 771 1HD2 LEU 101 HD23 LEU 101 91.347 0.800 0.382 772 2HD2 LEU 101 HD22 LEU 101 92.627 1.783 1.093 773 3HD2 LEU 101 HD21 LEU 101 90.943 2.094 1.509 774 H ALA 102 HN ALA 102 95.493 0.062 -1.710 775 HA ALA 102 HA ALA 102 95.729 0.578 -4.593 776 1HB ALA 102 HB3 ALA 102 97.491 -0.684 -2.512 777 2HB ALA 102 HB2 ALA 102 97.854 -0.885 -4.226 778 3HB ALA 102 HB1 ALA 102 97.803 0.730 -3.516 779 H TYR 103 HN TYR 103 94.901 -2.191 -2.533 780 HA TYR 103 HA TYR 103 94.574 -3.758 -5.056 781 1HB TYR 103 2HB TYR 103 95.445 -4.616 -2.303 782 2HB TYR 103 3HB TYR 103 94.960 -5.767 -3.551 783 HD1 TYR 103 HD1 TYR 103 96.150 -5.675 -5.807 784 HD2 TYR 103 HD2 TYR 103 97.630 -3.678 -2.307 785 HE1 TYR 103 HE1 TYR 103 98.395 -5.518 -6.847 786 HE2 TYR 103 HE2 TYR 103 99.874 -3.519 -3.348 787 HH TYR 103 HH TYR 103 100.520 -4.929 -6.549 788 HA PRO 104 HA PRO 104 90.281 -4.072 -3.775 789 1HB PRO 104 2HB PRO 104 89.476 -5.807 -5.683 790 2HB PRO 104 3HB PRO 104 89.849 -4.112 -6.041 791 1HG PRO 104 2HG PRO 104 91.486 -6.546 -6.506 792 2HG PRO 104 3HG PRO 104 91.267 -5.119 -7.528 793 1HD PRO 104 2HD PRO 104 93.465 -5.515 -5.921 794 2HD PRO 104 3HD PRO 104 92.881 -3.913 -6.426 795 H VAL 105 HN VAL 105 88.917 -5.626 -2.728 796 HA VAL 105 HA VAL 105 90.340 -7.870 -1.523 797 HB VAL 105 HB VAL 105 88.720 -6.557 -0.237 798 1HG1 VAL 105 HG11 VAL 105 87.178 -6.835 -2.591 799 2HG1 VAL 105 HG13 VAL 105 86.310 -7.724 -1.338 800 3HG1 VAL 105 HG12 VAL 105 86.701 -6.021 -1.100 801 1HG2 VAL 105 HG23 VAL 105 88.960 -9.347 -0.346 802 2HG2 VAL 105 HG22 VAL 105 88.269 -8.413 0.977 803 3HG2 VAL 105 HG21 VAL 105 87.222 -9.059 -0.283 804 H TYR 106 HN TYR 106 88.376 -7.477 -4.335 805 HA TYR 106 HA TYR 106 88.184 -10.447 -4.561 806 1HB TYR 106 2HB TYR 106 86.055 -8.392 -4.994 807 2HB TYR 106 3HB TYR 106 86.074 -9.818 -6.029 808 HD1 TYR 106 HD1 TYR 106 86.371 -12.115 -4.806 809 HD2 TYR 106 HD2 TYR 106 84.966 -8.529 -2.898 810 HE1 TYR 106 HE1 TYR 106 85.318 -13.481 -3.027 811 HE2 TYR 106 HE2 TYR 106 83.910 -9.903 -1.115 812 HH TYR 106 HH TYR 106 84.480 -12.426 -0.166 813 H ALA 107 HN ALA 107 90.344 -9.590 -5.686 814 HA ALA 107 HA ALA 107 89.852 -8.660 -8.442 815 1HB ALA 107 HB1 ALA 107 92.116 -8.787 -6.646 816 2HB ALA 107 HB3 ALA 107 92.521 -9.561 -8.180 817 3HB ALA 107 HB2 ALA 107 91.954 -7.892 -8.157 818 H GLN 108 HN GLN 108 89.285 -10.130 -9.990 819 HA GLN 108 HA GLN 108 90.220 -12.939 -9.585 820 1HB GLN 108 2HB GLN 108 87.800 -11.899 -11.080 821 2HB GLN 108 3HB GLN 108 88.275 -13.592 -10.979 822 1HG GLN 108 2HG GLN 108 87.989 -13.560 -8.548 823 2HG GLN 108 3HG GLN 108 87.596 -11.837 -8.604 824 1HE2 GLN 108 HE22 GLN 108 84.201 -12.683 -9.007 825 2HE2 GLN 108 HE21 GLN 108 85.361 -11.790 -8.149 826 H GLN 109 HN GLN 109 91.692 -13.628 -11.066 827 HA GLN 109 HA GLN 109 91.877 -12.146 -13.659 828 1HB GLN 109 2HB GLN 109 93.989 -13.687 -12.118 829 2HB GLN 109 3HB GLN 109 94.230 -13.033 -13.738 830 1HG GLN 109 2HG GLN 109 93.827 -10.766 -12.915 831 2HG GLN 109 3HG GLN 109 93.497 -11.394 -11.296 832 1HE2 GLN 109 HE22 GLN 109 96.952 -10.899 -10.631 833 2HE2 GLN 109 HE21 GLN 109 95.366 -10.426 -10.256 834 H ARG 110 HN ARG 110 91.049 -15.109 -12.205 835 HA ARG 110 HA ARG 110 91.261 -16.504 -14.847 836 1HB ARG 110 2HB ARG 110 91.481 -17.608 -12.039 837 2HB ARG 110 3HB ARG 110 91.335 -18.617 -13.478 838 1HG ARG 110 2HG ARG 110 93.380 -17.635 -14.401 839 2HG ARG 110 3HG ARG 110 93.528 -16.580 -12.999 840 1HD ARG 110 2HD ARG 110 93.255 -19.106 -11.879 841 2HD ARG 110 3HD ARG 110 94.264 -19.396 -13.295 842 HE ARG 110 HE ARG 110 95.264 -18.338 -10.931 843 1HH1 ARG 110 HH21 ARG 110 94.931 -17.229 -14.199 844 2HH1 ARG 110 HH22 ARG 110 96.247 -16.114 -14.081 845 1HH2 ARG 110 HH11 ARG 110 96.966 -16.883 -10.782 846 2HH2 ARG 110 HH12 ARG 110 97.397 -15.919 -12.154 847 H ARG 111 HN ARG 111 89.482 -17.713 -15.509 848 HA ARG 111 HA ARG 111 87.226 -18.323 -15.655 849 1HB ARG 111 2HB ARG 111 87.835 -19.361 -13.399 850 2HB ARG 111 3HB ARG 111 87.117 -17.931 -12.658 851 1HG ARG 111 2HG ARG 111 85.011 -18.392 -13.927 852 2HG ARG 111 3HG ARG 111 85.733 -19.896 -14.503 853 1HD ARG 111 2HD ARG 111 86.155 -19.965 -11.752 854 2HD ARG 111 3HD ARG 111 84.536 -19.290 -11.909 855 HE ARG 111 HE ARG 111 85.087 -22.012 -12.181 856 1HH1 ARG 111 HH21 ARG 111 83.839 -19.494 -14.173 857 2HH1 ARG 111 HH22 ARG 111 82.934 -20.565 -15.188 858 1HH2 ARG 111 HH11 ARG 111 83.895 -23.418 -13.479 859 2HH2 ARG 111 HH12 ARG 111 82.955 -22.782 -14.787 No H/Q in entry = 859 Start of MODEL 9 1 1H GLU 1 HT1 GLU 1 96.503 -1.352 -17.613 2 2H GLU 1 HT3 GLU 1 97.372 -0.804 -18.962 3 3H GLU 1 HT2 GLU 1 97.922 -0.444 -17.396 4 HA GLU 1 HA GLU 1 96.787 1.436 -17.417 5 1HB GLU 1 2HB GLU 1 97.099 1.317 -19.874 6 2HB GLU 1 3HB GLU 1 95.579 0.433 -20.012 7 1HG GLU 1 2HG GLU 1 94.330 2.316 -19.148 8 2HG GLU 1 3HG GLU 1 95.818 3.190 -18.778 9 H ASP 2 HN ASP 2 95.025 -1.534 -17.720 10 HA ASP 2 HA ASP 2 92.420 -0.362 -17.105 11 1HB ASP 2 2HB ASP 2 92.701 -2.511 -18.371 12 2HB ASP 2 3HB ASP 2 93.296 -3.254 -16.885 13 H LEU 3 HN LEU 3 91.759 0.208 -15.091 14 HA LEU 3 HA LEU 3 93.340 -0.760 -12.763 15 1HB LEU 3 2HB LEU 3 91.344 1.509 -13.015 16 2HB LEU 3 3HB LEU 3 92.224 1.099 -11.544 17 HG LEU 3 HG LEU 3 93.564 1.818 -14.167 18 1HD1 LEU 3 HD13 LEU 3 92.140 3.544 -12.562 19 2HD1 LEU 3 HD12 LEU 3 93.768 3.682 -11.900 20 3HD1 LEU 3 HD11 LEU 3 93.481 4.015 -13.608 21 1HD2 LEU 3 HD21 LEU 3 94.497 1.204 -11.369 22 2HD2 LEU 3 HD23 LEU 3 95.138 0.619 -12.906 23 3HD2 LEU 3 HD22 LEU 3 95.447 2.278 -12.397 24 HA PRO 4 HA PRO 4 89.836 -3.588 -12.136 25 1HB PRO 4 2HB PRO 4 91.050 -3.953 -9.454 26 2HB PRO 4 3HB PRO 4 90.671 -5.164 -10.694 27 1HG PRO 4 2HG PRO 4 93.183 -4.409 -10.147 28 2HG PRO 4 3HG PRO 4 92.662 -4.877 -11.774 29 1HD PRO 4 2HD PRO 4 93.221 -2.148 -10.687 30 2HD PRO 4 3HD PRO 4 93.459 -2.793 -12.330 31 H HIS 5 HN HIS 5 90.674 -0.793 -10.396 32 HA HIS 5 HA HIS 5 88.714 -0.835 -8.301 33 1HB HIS 5 2HB HIS 5 90.047 1.464 -9.746 34 2HB HIS 5 3HB HIS 5 89.099 1.627 -8.269 35 HD1 HIS 5 HD1 HIS 5 90.000 0.011 -6.220 36 HD2 HIS 5 HD2 HIS 5 92.711 0.927 -9.249 37 HE1 HIS 5 HE1 HIS 5 92.302 -0.486 -5.294 38 H HIS 6 HN HIS 6 88.559 0.147 -11.695 39 HA HIS 6 HA HIS 6 86.134 1.642 -11.535 40 1HB HIS 6 2HB HIS 6 85.961 1.237 -13.964 41 2HB HIS 6 3HB HIS 6 87.606 1.682 -13.507 42 HD1 HIS 6 HD1 HIS 6 87.293 -1.600 -12.285 43 HD2 HIS 6 HD2 HIS 6 87.775 -0.036 -16.117 44 HE1 HIS 6 HE1 HIS 6 88.209 -3.477 -13.713 45 H ASP 7 HN ASP 7 86.687 -1.723 -11.184 46 HA ASP 7 HA ASP 7 83.840 -2.321 -11.787 47 1HB ASP 7 2HB ASP 7 85.782 -3.759 -12.711 48 2HB ASP 7 3HB ASP 7 85.935 -4.361 -11.060 49 H GLU 8 HN GLU 8 82.461 -2.501 -10.095 50 HA GLU 8 HA GLU 8 83.324 -2.010 -7.412 51 1HB GLU 8 2HB GLU 8 80.698 -3.135 -8.423 52 2HB GLU 8 3HB GLU 8 80.973 -2.473 -6.813 53 1HG GLU 8 2HG GLU 8 80.262 -0.524 -7.757 54 2HG GLU 8 3HG GLU 8 81.920 -0.442 -8.353 55 H LYS 9 HN LYS 9 82.851 -4.969 -9.198 56 HA LYS 9 HA LYS 9 82.582 -6.775 -7.009 57 1HB LYS 9 2HB LYS 9 83.652 -7.053 -9.810 58 2HB LYS 9 3HB LYS 9 83.701 -8.406 -8.686 59 1HG LYS 9 2HG LYS 9 81.670 -8.397 -10.151 60 2HG LYS 9 3HG LYS 9 81.299 -8.369 -8.430 61 1HD LYS 9 2HD LYS 9 79.875 -6.762 -9.588 62 2HD LYS 9 3HD LYS 9 81.015 -5.890 -8.571 63 1HE LYS 9 2HE LYS 9 81.881 -4.822 -10.372 64 2HE LYS 9 3HE LYS 9 82.169 -6.358 -11.189 65 1HZ LYS 9 HZ1 LYS 9 79.519 -6.142 -11.394 66 2HZ LYS 9 HZ3 LYS 9 79.967 -4.506 -11.453 67 3HZ LYS 9 HZ2 LYS 9 80.611 -5.603 -12.579 68 H THR 10 HN THR 10 85.398 -5.426 -8.634 69 HA THR 10 HA THR 10 87.377 -7.018 -7.387 70 HB THR 10 HB THR 10 88.874 -5.022 -7.865 71 HG1 THR 10 HG1 THR 10 86.503 -4.003 -9.022 72 1HG2 THR 10 HG21 THR 10 87.295 -6.626 -9.739 73 2HG2 THR 10 HG23 THR 10 87.892 -5.122 -10.445 74 3HG2 THR 10 HG22 THR 10 89.024 -6.272 -9.739 75 H TRP 11 HN TRP 11 85.651 -4.157 -6.192 76 HA TRP 11 HA TRP 11 87.109 -4.581 -3.612 77 1HB TRP 11 2HB TRP 11 86.335 -1.998 -3.399 78 2HB TRP 11 3HB TRP 11 87.897 -2.490 -4.054 79 HD1 TRP 11 HD1 TRP 11 87.960 -2.834 -6.782 80 HE1 TRP 11 HE1 TRP 11 86.755 -1.488 -8.625 81 HE3 TRP 11 HE3 TRP 11 84.364 -0.599 -3.984 82 HZ2 TRP 11 HZ2 TRP 11 84.548 0.372 -8.846 83 HZ3 TRP 11 HZ3 TRP 11 82.736 0.964 -5.002 84 HH2 TRP 11 HH2 TRP 11 82.826 1.450 -7.430 85 H ASN 12 HN ASN 12 83.974 -3.843 -5.112 86 HA ASN 12 HA ASN 12 82.712 -3.640 -2.456 87 1HB ASN 12 2HB ASN 12 81.999 -2.277 -4.490 88 2HB ASN 12 3HB ASN 12 81.294 -3.769 -5.117 89 1HD2 ASN 12 HD22 ASN 12 79.085 -1.685 -2.595 90 2HD2 ASN 12 HD21 ASN 12 80.317 -1.056 -3.579 91 H VAL 13 HN VAL 13 81.732 -5.285 -1.397 92 HA VAL 13 HA VAL 13 81.457 -7.890 -2.836 93 HB VAL 13 HB VAL 13 81.484 -8.924 -0.597 94 1HG1 VAL 13 HG11 VAL 13 83.613 -7.917 -1.949 95 2HG1 VAL 13 HG13 VAL 13 83.806 -7.099 -0.398 96 3HG1 VAL 13 HG12 VAL 13 83.760 -8.862 -0.466 97 1HG2 VAL 13 HG23 VAL 13 81.694 -6.039 0.300 98 2HG2 VAL 13 HG22 VAL 13 80.446 -7.207 0.730 99 3HG2 VAL 13 HG21 VAL 13 82.087 -7.403 1.345 100 H GLY 14 HN GLY 14 79.638 -5.289 -1.721 101 1HA GLY 14 2HA GLY 14 77.246 -5.153 -1.969 102 2HA GLY 14 3HA GLY 14 77.165 -6.915 -1.903 103 H SER 15 HN SER 15 75.435 -6.515 -0.269 104 HA SER 15 HA SER 15 76.036 -5.260 2.250 105 1HB SER 15 2HB SER 15 73.983 -6.325 3.043 106 2HB SER 15 3HB SER 15 73.721 -5.682 1.423 107 HG SER 15 HG SER 15 74.702 -8.130 1.187 108 H SER 16 HN SER 16 76.448 -6.314 4.284 109 HA SER 16 HA SER 16 77.091 -9.155 4.366 110 1HB SER 16 2HB SER 16 79.095 -8.282 3.228 111 2HB SER 16 3HB SER 16 79.317 -7.095 4.508 112 HG SER 16 HG SER 16 80.286 -8.585 5.604 113 H ASN 17 HN ASN 17 77.438 -9.852 6.545 114 HA ASN 17 HA ASN 17 76.468 -7.927 8.565 115 1HB ASN 17 2HB ASN 17 77.119 -10.889 8.747 116 2HB ASN 17 3HB ASN 17 76.428 -9.927 10.056 117 1HD2 ASN 17 HD22 ASN 17 73.556 -9.341 7.541 118 2HD2 ASN 17 HD21 ASN 17 74.860 -8.328 7.931 119 H ARG 18 HN ARG 18 79.287 -8.388 7.190 120 HA ARG 18 HA ARG 18 81.477 -7.880 7.746 121 1HB ARG 18 2HB ARG 18 80.112 -6.903 10.258 122 2HB ARG 18 3HB ARG 18 81.855 -6.796 10.030 123 1HG ARG 18 2HG ARG 18 79.803 -5.658 8.104 124 2HG ARG 18 3HG ARG 18 80.672 -4.716 9.320 125 1HD ARG 18 2HD ARG 18 82.135 -4.404 7.570 126 2HD ARG 18 3HD ARG 18 82.772 -5.934 8.161 127 HE ARG 18 HE ARG 18 80.744 -6.600 6.327 128 1HH1 ARG 18 HH21 ARG 18 83.690 -4.815 6.394 129 2HH1 ARG 18 HH22 ARG 18 84.064 -5.109 4.728 130 1HH2 ARG 18 HH11 ARG 18 81.211 -6.997 4.148 131 2HH2 ARG 18 HH12 ARG 18 82.658 -6.342 3.456 132 H ASN 19 HN ASN 19 79.893 -10.438 8.807 133 HA ASN 19 HA ASN 19 81.707 -11.366 10.908 134 1HB ASN 19 2HB ASN 19 80.504 -13.472 10.742 135 2HB ASN 19 3HB ASN 19 79.321 -12.167 10.662 136 1HD2 ASN 19 HD22 ASN 19 78.766 -14.661 7.850 137 2HD2 ASN 19 HD21 ASN 19 78.937 -14.855 9.527 138 H LYS 20 HN LYS 20 81.131 -12.264 7.495 139 HA LYS 20 HA LYS 20 83.518 -13.879 7.322 140 1HB LYS 20 2HB LYS 20 83.060 -13.963 4.952 141 2HB LYS 20 3HB LYS 20 81.503 -14.026 5.778 142 1HG LYS 20 2HG LYS 20 81.318 -11.540 5.482 143 2HG LYS 20 3HG LYS 20 82.784 -11.595 4.500 144 1HD LYS 20 2HD LYS 20 81.652 -13.224 2.975 145 2HD LYS 20 3HD LYS 20 80.179 -13.042 3.927 146 1HE LYS 20 2HE LYS 20 79.894 -10.793 3.289 147 2HE LYS 20 3HE LYS 20 81.568 -10.638 2.757 148 1HZ LYS 20 HZ3 LYS 20 79.906 -12.646 1.435 149 2HZ LYS 20 HZ2 LYS 20 79.600 -11.016 1.065 150 3HZ LYS 20 HZ1 LYS 20 81.143 -11.674 0.799 151 H ALA 21 HN ALA 21 82.770 -10.496 7.021 152 HA ALA 21 HA ALA 21 84.985 -9.562 5.530 153 1HB ALA 21 HB2 ALA 21 83.090 -8.125 6.250 154 2HB ALA 21 HB1 ALA 21 83.663 -8.234 7.915 155 3HB ALA 21 HB3 ALA 21 84.647 -7.426 6.696 156 H GLU 22 HN GLU 22 84.686 -10.174 9.055 157 HA GLU 22 HA GLU 22 87.336 -9.357 9.727 158 1HB GLU 22 2HB GLU 22 85.499 -11.432 10.962 159 2HB GLU 22 3HB GLU 22 87.048 -10.976 11.672 160 1HG GLU 22 2HG GLU 22 84.836 -9.005 11.024 161 2HG GLU 22 3HG GLU 22 85.091 -9.706 12.623 162 H ASN 23 HN ASN 23 86.031 -12.541 8.788 163 HA ASN 23 HA ASN 23 88.526 -13.935 8.819 164 1HB ASN 23 2HB ASN 23 85.973 -14.376 7.254 165 2HB ASN 23 3HB ASN 23 87.340 -15.491 7.204 166 1HD2 ASN 23 HD22 ASN 23 86.706 -15.547 11.051 167 2HD2 ASN 23 HD21 ASN 23 87.777 -14.547 10.196 168 H LEU 24 HN LEU 24 86.786 -12.148 6.273 169 HA LEU 24 HA LEU 24 88.761 -12.662 4.221 170 1HB LEU 24 2HB LEU 24 86.627 -10.538 4.509 171 2HB LEU 24 3HB LEU 24 87.639 -10.709 3.077 172 HG LEU 24 HG LEU 24 85.873 -12.888 4.223 173 1HD1 LEU 24 HD13 LEU 24 84.618 -10.989 3.190 174 2HD1 LEU 24 HD12 LEU 24 85.544 -11.222 1.708 175 3HD1 LEU 24 HD11 LEU 24 84.453 -12.487 2.271 176 1HD2 LEU 24 HD21 LEU 24 87.893 -12.725 2.028 177 2HD2 LEU 24 HD23 LEU 24 87.511 -14.071 3.098 178 3HD2 LEU 24 HD22 LEU 24 86.451 -13.698 1.741 179 H LEU 25 HN LEU 25 88.404 -10.246 6.745 180 HA LEU 25 HA LEU 25 90.623 -8.629 5.640 181 1HB LEU 25 2HB LEU 25 88.974 -8.379 8.177 182 2HB LEU 25 3HB LEU 25 90.233 -7.242 7.696 183 HG LEU 25 HG LEU 25 88.046 -7.883 5.745 184 1HD1 LEU 25 HD13 LEU 25 87.067 -7.306 8.062 185 2HD1 LEU 25 HD12 LEU 25 87.777 -5.708 7.828 186 3HD1 LEU 25 HD11 LEU 25 86.550 -6.299 6.707 187 1HD2 LEU 25 HD23 LEU 25 89.640 -5.388 6.418 188 2HD2 LEU 25 HD22 LEU 25 89.985 -6.491 5.084 189 3HD2 LEU 25 HD21 LEU 25 88.500 -5.542 5.087 190 H ARG 26 HN ARG 26 90.123 -11.304 7.649 191 HA ARG 26 HA ARG 26 92.595 -10.892 9.208 192 1HB ARG 26 2HB ARG 26 90.330 -12.877 9.268 193 2HB ARG 26 3HB ARG 26 91.864 -13.275 10.052 194 1HG ARG 26 2HG ARG 26 91.716 -11.388 11.509 195 2HG ARG 26 3HG ARG 26 90.400 -10.681 10.571 196 1HD ARG 26 2HD ARG 26 88.909 -12.509 11.226 197 2HD ARG 26 3HD ARG 26 90.230 -13.300 12.092 198 HE ARG 26 HE ARG 26 90.122 -10.800 13.254 199 1HH1 ARG 26 HH21 ARG 26 87.817 -13.276 12.556 200 2HH1 ARG 26 HH22 ARG 26 86.850 -12.948 13.955 201 1HH2 ARG 26 HH11 ARG 26 88.876 -10.364 15.075 202 2HH2 ARG 26 HH12 ARG 26 87.451 -11.300 15.384 203 H GLY 27 HN GLY 27 94.464 -11.431 8.242 204 1HA GLY 27 2HA GLY 27 95.934 -13.182 7.387 205 2HA GLY 27 3HA GLY 27 94.533 -13.923 6.612 206 H LYS 28 HN LYS 28 94.261 -10.640 6.199 207 HA LYS 28 HA LYS 28 95.376 -10.859 3.452 208 1HB LYS 28 2HB LYS 28 93.376 -8.944 4.675 209 2HB LYS 28 3HB LYS 28 94.029 -8.759 3.048 210 1HG LYS 28 2HG LYS 28 92.493 -11.160 4.083 211 2HG LYS 28 3HG LYS 28 91.879 -9.941 2.964 212 1HD LYS 28 2HD LYS 28 94.124 -10.650 1.643 213 2HD LYS 28 3HD LYS 28 93.791 -12.169 2.476 214 1HE LYS 28 2HE LYS 28 91.442 -12.070 1.611 215 2HE LYS 28 3HE LYS 28 91.888 -10.642 0.676 216 1HZ LYS 28 HZ3 LYS 28 93.740 -12.112 -0.244 217 2HZ LYS 28 HZ2 LYS 28 92.849 -13.421 0.376 218 3HZ LYS 28 HZ1 LYS 28 92.163 -12.400 -0.798 219 H ARG 29 HN ARG 29 96.994 -9.548 2.796 220 HA ARG 29 HA ARG 29 98.644 -8.246 4.768 221 1HB ARG 29 2HB ARG 29 98.680 -8.145 1.738 222 2HB ARG 29 3HB ARG 29 99.954 -7.499 2.775 223 1HG ARG 29 2HG ARG 29 100.294 -9.745 3.748 224 2HG ARG 29 3HG ARG 29 99.035 -10.389 2.691 225 1HD ARG 29 2HD ARG 29 101.514 -8.974 1.686 226 2HD ARG 29 3HD ARG 29 101.373 -10.729 1.824 227 HE ARG 29 HE ARG 29 99.171 -10.054 0.321 228 1HH1 ARG 29 HH21 ARG 29 102.542 -9.349 0.206 229 2HH1 ARG 29 HH22 ARG 29 102.601 -9.248 -1.522 230 1HH2 ARG 29 HH11 ARG 29 99.227 -9.926 -1.943 231 2HH2 ARG 29 HH12 ARG 29 100.725 -9.575 -2.738 232 H ASP 30 HN ASP 30 99.156 -5.937 4.832 233 HA ASP 30 HA ASP 30 96.878 -4.242 4.878 234 1HB ASP 30 2HB ASP 30 98.955 -3.722 6.116 235 2HB ASP 30 3HB ASP 30 99.799 -3.450 4.589 236 H GLY 31 HN GLY 31 96.034 -2.803 3.372 237 1HA GLY 31 2HA GLY 31 96.274 -1.508 1.274 238 2HA GLY 31 3HA GLY 31 97.321 -2.797 0.668 239 H THR 32 HN THR 32 95.497 -4.887 1.811 240 HA THR 32 HA THR 32 93.699 -5.032 -0.493 241 HB THR 32 HB THR 32 93.911 -6.851 1.930 242 HG1 THR 32 HG1 THR 32 95.695 -7.445 1.019 243 1HG2 THR 32 HG21 THR 32 92.269 -6.820 -0.526 244 2HG2 THR 32 HG23 THR 32 93.045 -8.366 -0.179 245 3HG2 THR 32 HG22 THR 32 91.975 -7.628 1.013 246 H PHE 33 HN PHE 33 91.704 -4.079 -0.479 247 HA PHE 33 HA PHE 33 90.274 -3.989 2.127 248 1HB PHE 33 2HB PHE 33 90.167 -1.732 2.222 249 2HB PHE 33 3HB PHE 33 91.555 -1.775 1.140 250 HD1 PHE 33 HD1 PHE 33 91.241 -1.456 -1.316 251 HD2 PHE 33 HD2 PHE 33 87.984 -1.145 1.461 252 HE1 PHE 33 HE1 PHE 33 89.845 -0.357 -3.057 253 HE2 PHE 33 HE2 PHE 33 86.611 -0.051 -0.285 254 HZ PHE 33 HZ PHE 33 87.534 0.333 -2.526 255 H LEU 34 HN LEU 34 87.941 -3.059 1.692 256 HA LEU 34 HA LEU 34 86.899 -3.790 -0.972 257 1HB LEU 34 2HB LEU 34 85.242 -5.372 -0.057 258 2HB LEU 34 3HB LEU 34 86.888 -5.933 0.226 259 HG LEU 34 HG LEU 34 85.630 -4.245 2.341 260 1HD1 LEU 34 HD12 LEU 34 84.920 -7.140 1.779 261 2HD1 LEU 34 HD11 LEU 34 84.641 -6.349 3.331 262 3HD1 LEU 34 HD13 LEU 34 83.809 -5.773 1.885 263 1HD2 LEU 34 HD22 LEU 34 87.515 -6.611 2.207 264 2HD2 LEU 34 HD21 LEU 34 87.889 -4.959 2.702 265 3HD2 LEU 34 HD23 LEU 34 86.884 -5.979 3.726 266 H VAL 35 HN VAL 35 84.571 -3.186 -1.193 267 HA VAL 35 HA VAL 35 83.902 -0.923 0.640 268 HB VAL 35 HB VAL 35 83.154 -1.461 -2.256 269 1HG1 VAL 35 HG12 VAL 35 81.878 0.288 -0.180 270 2HG1 VAL 35 HG11 VAL 35 82.028 0.915 -1.823 271 3HG1 VAL 35 HG13 VAL 35 81.133 -0.578 -1.524 272 1HG2 VAL 35 HG23 VAL 35 84.648 0.717 -0.775 273 2HG2 VAL 35 HG22 VAL 35 85.287 -0.363 -2.010 274 3HG2 VAL 35 HG21 VAL 35 84.122 0.889 -2.443 275 H ARG 36 HN ARG 36 81.916 -0.933 1.683 276 HA ARG 36 HA ARG 36 79.850 -2.871 0.950 277 1HB ARG 36 2HB ARG 36 79.963 -3.722 3.474 278 2HB ARG 36 3HB ARG 36 80.902 -4.503 2.207 279 1HG ARG 36 2HG ARG 36 82.626 -4.174 3.674 280 2HG ARG 36 3HG ARG 36 82.662 -2.567 2.963 281 1HD ARG 36 2HD ARG 36 80.924 -1.942 4.765 282 2HD ARG 36 3HD ARG 36 81.415 -3.436 5.563 283 HE ARG 36 HE ARG 36 83.805 -2.118 5.016 284 1HH1 ARG 36 HH21 ARG 36 80.839 -1.414 6.624 285 2HH1 ARG 36 HH22 ARG 36 81.557 -0.313 7.751 286 1HH2 ARG 36 HH11 ARG 36 84.761 -0.685 6.471 287 2HH2 ARG 36 HH12 ARG 36 83.781 0.100 7.664 288 H GLU 37 HN GLU 37 78.491 -2.777 3.522 289 HA GLU 37 HA GLU 37 77.777 0.113 3.449 290 1HB GLU 37 2HB GLU 37 76.303 -2.243 4.674 291 2HB GLU 37 3HB GLU 37 75.690 -0.594 4.541 292 1HG GLU 37 2HG GLU 37 75.998 -0.783 2.037 293 2HG GLU 37 3HG GLU 37 76.348 -2.494 2.282 294 H SER 38 HN SER 38 76.994 0.895 5.739 295 HA SER 38 HA SER 38 79.274 0.573 7.541 296 1HB SER 38 2HB SER 38 76.658 2.089 7.714 297 2HB SER 38 3HB SER 38 77.823 2.064 9.037 298 HG SER 38 HG SER 38 77.917 3.317 6.572 299 H SER 39 HN SER 39 77.126 -1.444 6.682 300 HA SER 39 HA SER 39 76.535 -3.499 7.608 301 1HB SER 39 2HB SER 39 78.272 -2.975 9.432 302 2HB SER 39 3HB SER 39 76.929 -2.338 10.376 303 HG SER 39 HG SER 39 77.668 -4.853 10.087 304 H LYS 40 HN LYS 40 75.308 -2.444 10.567 305 HA LYS 40 HA LYS 40 72.584 -2.512 9.474 306 1HB LYS 40 2HB LYS 40 71.894 -2.574 11.823 307 2HB LYS 40 3HB LYS 40 73.190 -3.738 11.548 308 1HG LYS 40 2HG LYS 40 74.840 -2.089 12.386 309 2HG LYS 40 3HG LYS 40 73.529 -0.953 12.706 310 1HD LYS 40 2HD LYS 40 73.224 -3.677 13.862 311 2HD LYS 40 3HD LYS 40 74.472 -2.654 14.578 312 1HE LYS 40 2HE LYS 40 72.818 -0.865 14.925 313 2HE LYS 40 3HE LYS 40 71.567 -1.869 14.192 314 1HZ LYS 40 HZ2 LYS 40 72.622 -3.492 16.081 315 2HZ LYS 40 HZ1 LYS 40 72.684 -1.974 16.839 316 3HZ LYS 40 HZ3 LYS 40 71.206 -2.573 16.263 317 H GLN 41 HN GLN 41 74.865 -0.067 10.125 318 HA GLN 41 HA GLN 41 73.031 1.978 11.055 319 1HB GLN 41 2HB GLN 41 75.485 2.153 11.370 320 2HB GLN 41 3HB GLN 41 75.679 2.330 9.627 321 1HG GLN 41 2HG GLN 41 75.654 4.552 10.587 322 2HG GLN 41 3HG GLN 41 74.124 4.315 9.738 323 1HE2 GLN 41 HE22 GLN 41 72.684 5.467 12.795 324 2HE2 GLN 41 HE21 GLN 41 73.090 5.911 11.208 325 H GLY 42 HN GLY 42 74.130 0.919 7.859 326 1HA GLY 42 2HA GLY 42 72.673 1.155 5.915 327 2HA GLY 42 3HA GLY 42 71.947 2.569 6.680 328 H CYS 43 HN CYS 43 74.941 3.264 7.385 329 HA CYS 43 HA CYS 43 75.286 5.004 5.061 330 1HB CYS 43 2HB CYS 43 77.004 4.581 7.524 331 2HB CYS 43 3HB CYS 43 77.289 5.822 6.305 332 HG CYS 43 HG CYS 43 74.901 6.825 6.944 333 H TYR 44 HN TYR 44 77.350 5.038 3.805 334 HA TYR 44 HA TYR 44 78.128 2.285 3.104 335 1HB TYR 44 2HB TYR 44 78.903 4.974 1.928 336 2HB TYR 44 3HB TYR 44 79.417 3.417 1.278 337 HD1 TYR 44 HD2 TYR 44 76.519 5.650 1.854 338 HD2 TYR 44 HD1 TYR 44 77.867 1.966 0.096 339 HE1 TYR 44 HE2 TYR 44 74.390 5.469 0.597 340 HE2 TYR 44 HE1 TYR 44 75.734 1.791 -1.164 341 HH TYR 44 HH TYR 44 73.287 2.727 -0.778 342 H ALA 45 HN ALA 45 80.392 1.579 3.089 343 HA ALA 45 HA ALA 45 82.369 3.240 4.486 344 1HB ALA 45 HB3 ALA 45 81.016 0.874 5.769 345 2HB ALA 45 HB2 ALA 45 82.666 1.302 6.209 346 3HB ALA 45 HB1 ALA 45 81.357 2.455 6.468 347 H CYS 46 HN CYS 46 84.499 2.347 4.316 348 HA CYS 46 HA CYS 46 84.683 0.006 2.461 349 1HB CYS 46 2HB CYS 46 86.639 2.305 2.825 350 2HB CYS 46 3HB CYS 46 86.856 0.942 1.724 351 HG CYS 46 HG CYS 46 85.759 2.928 0.385 352 H SER 47 HN SER 47 85.563 -1.780 3.398 353 HA SER 47 HA SER 47 86.902 -1.443 6.019 354 1HB SER 47 2HB SER 47 85.123 -3.156 5.839 355 2HB SER 47 3HB SER 47 86.037 -3.964 4.570 356 HG SER 47 HG SER 47 87.600 -3.500 6.712 357 H VAL 48 HN VAL 48 89.077 -1.658 6.237 358 HA VAL 48 HA VAL 48 90.542 -2.945 3.991 359 HB VAL 48 HB VAL 48 90.564 -0.419 3.846 360 1HG1 VAL 48 HG11 VAL 48 90.845 -0.407 6.487 361 2HG1 VAL 48 HG13 VAL 48 92.556 -0.419 6.057 362 3HG1 VAL 48 HG12 VAL 48 91.512 0.883 5.486 363 1HG2 VAL 48 HG23 VAL 48 92.499 -2.239 3.258 364 2HG2 VAL 48 HG22 VAL 48 92.632 -0.520 2.888 365 3HG2 VAL 48 HG21 VAL 48 93.379 -1.167 4.347 366 H VAL 49 HN VAL 49 92.841 -3.361 4.614 367 HA VAL 49 HA VAL 49 93.016 -4.164 7.493 368 HB VAL 49 HB VAL 49 94.202 -5.439 5.026 369 1HG1 VAL 49 HG11 VAL 49 95.003 -5.544 7.849 370 2HG1 VAL 49 HG13 VAL 49 94.720 -7.129 7.133 371 3HG1 VAL 49 HG12 VAL 49 95.896 -6.033 6.406 372 1HG2 VAL 49 HG22 VAL 49 91.736 -5.778 6.204 373 2HG2 VAL 49 HG21 VAL 49 92.539 -6.972 5.188 374 3HG2 VAL 49 HG23 VAL 49 92.687 -7.061 6.944 375 H VAL 50 HN VAL 50 94.779 -3.359 8.621 376 HA VAL 50 HA VAL 50 96.751 -1.835 6.983 377 HB VAL 50 HB VAL 50 95.208 -1.096 9.303 378 1HG1 VAL 50 HG12 VAL 50 97.150 -1.903 10.609 379 2HG1 VAL 50 HG11 VAL 50 98.216 -0.882 9.643 380 3HG1 VAL 50 HG13 VAL 50 97.005 -0.148 10.694 381 1HG2 VAL 50 HG22 VAL 50 95.730 0.203 7.198 382 2HG2 VAL 50 HG21 VAL 50 95.935 1.110 8.695 383 3HG2 VAL 50 HG23 VAL 50 97.347 0.472 7.847 384 H ASP 51 HN ASP 51 98.938 -1.764 7.860 385 HA ASP 51 HA ASP 51 100.011 -4.349 8.359 386 1HB ASP 51 2HB ASP 51 101.113 -1.549 8.645 387 2HB ASP 51 3HB ASP 51 102.098 -2.980 8.964 388 H GLY 52 HN GLY 52 98.144 -4.347 10.296 389 1HA GLY 52 2HA GLY 52 99.441 -4.996 12.652 390 2HA GLY 52 3HA GLY 52 99.141 -3.267 12.804 391 H GLU 53 HN GLU 53 96.552 -3.275 11.408 392 HA GLU 53 HA GLU 53 94.905 -5.164 12.970 393 1HB GLU 53 2HB GLU 53 94.836 -2.177 13.460 394 2HB GLU 53 3HB GLU 53 93.563 -3.278 13.982 395 1HG GLU 53 2HG GLU 53 94.908 -3.192 15.885 396 2HG GLU 53 3HG GLU 53 95.546 -4.617 15.066 397 H VAL 54 HN VAL 54 92.596 -5.016 12.412 398 HA VAL 54 HA VAL 54 92.241 -4.218 9.580 399 HB VAL 54 HB VAL 54 90.453 -5.770 11.483 400 1HG1 VAL 54 HG12 VAL 54 90.194 -5.186 8.518 401 2HG1 VAL 54 HG11 VAL 54 89.166 -6.299 9.422 402 3HG1 VAL 54 HG13 VAL 54 89.142 -4.576 9.793 403 1HG2 VAL 54 HG22 VAL 54 92.614 -6.858 10.709 404 2HG2 VAL 54 HG21 VAL 54 91.146 -7.718 10.244 405 3HG2 VAL 54 HG23 VAL 54 92.001 -6.732 9.058 406 H LYS 55 HN LYS 55 90.858 -2.533 8.965 407 HA LYS 55 HA LYS 55 89.459 -1.121 11.207 408 1HB LYS 55 2HB LYS 55 90.941 0.050 8.844 409 2HB LYS 55 3HB LYS 55 89.894 0.992 9.906 410 1HG LYS 55 2HG LYS 55 91.838 1.309 11.069 411 2HG LYS 55 3HG LYS 55 91.418 -0.262 11.755 412 1HD LYS 55 2HD LYS 55 92.783 -1.386 10.041 413 2HD LYS 55 3HD LYS 55 93.201 0.183 9.346 414 1HE LYS 55 2HE LYS 55 94.553 -1.152 11.429 415 2HE LYS 55 3HE LYS 55 94.824 0.503 10.882 416 1HZ LYS 55 HZ3 LYS 55 92.797 -0.307 12.896 417 2HZ LYS 55 HZ2 LYS 55 94.313 0.365 13.262 418 3HZ LYS 55 HZ1 LYS 55 93.159 1.279 12.413 419 H HIS 56 HN HIS 56 87.698 0.360 10.376 420 HA HIS 56 HA HIS 56 86.331 -0.774 7.977 421 1HB HIS 56 2HB HIS 56 85.081 -0.083 10.653 422 2HB HIS 56 3HB HIS 56 84.169 -0.501 9.202 423 HD1 HIS 56 HD1 HIS 56 85.597 -2.873 8.098 424 HD2 HIS 56 HD2 HIS 56 85.057 -2.364 12.200 425 HE1 HIS 56 HE1 HIS 56 85.805 -5.173 9.137 426 H CYS 57 HN CYS 57 87.454 1.222 7.082 427 HA CYS 57 HA CYS 57 86.958 3.854 7.888 428 1HB CYS 57 2HB CYS 57 87.133 2.772 5.062 429 2HB CYS 57 3HB CYS 57 87.279 4.474 5.505 430 HG CYS 57 HG CYS 57 89.691 3.478 5.438 431 H VAL 58 HN VAL 58 85.317 5.368 7.423 432 HA VAL 58 HA VAL 58 82.747 4.107 6.594 433 HB VAL 58 HB VAL 58 83.420 6.184 8.650 434 1HG1 VAL 58 HG12 VAL 58 80.750 5.723 7.289 435 2HG1 VAL 58 HG11 VAL 58 80.927 6.566 8.827 436 3HG1 VAL 58 HG13 VAL 58 81.658 7.235 7.368 437 1HG2 VAL 58 HG22 VAL 58 82.976 3.509 8.812 438 2HG2 VAL 58 HG21 VAL 58 82.612 4.632 10.121 439 3HG2 VAL 58 HG23 VAL 58 81.332 4.111 9.025 440 H ILE 59 HN ILE 59 81.604 4.990 4.971 441 HA ILE 59 HA ILE 59 82.506 7.623 3.885 442 HB ILE 59 HB ILE 59 81.317 5.244 2.417 443 1HG1 ILE 59 HG12 ILE 59 84.063 6.539 2.297 444 2HG1 ILE 59 HG11 ILE 59 83.695 4.982 3.040 445 1HG2 ILE 59 HG22 ILE 59 81.081 7.951 1.792 446 2HG2 ILE 59 HG21 ILE 59 82.451 7.415 0.819 447 3HG2 ILE 59 HG23 ILE 59 80.889 6.610 0.666 448 1HD1 ILE 59 HD13 ILE 59 83.106 5.587 0.135 449 2HD1 ILE 59 HD12 ILE 59 84.619 4.863 0.674 450 3HD1 ILE 59 HD11 ILE 59 83.095 4.014 0.932 451 H ASN 60 HN ASN 60 80.840 9.155 3.567 452 HA ASN 60 HA ASN 60 78.080 8.159 4.173 453 1HB ASN 60 2HB ASN 60 79.394 10.705 5.161 454 2HB ASN 60 3HB ASN 60 77.668 10.372 5.298 455 1HD2 ASN 60 HD22 ASN 60 78.912 7.284 7.294 456 2HD2 ASN 60 HD21 ASN 60 78.476 7.370 5.656 457 H LYS 61 HN LYS 61 76.564 8.748 2.701 458 HA LYS 61 HA LYS 61 77.437 10.548 0.509 459 1HB LYS 61 2HB LYS 61 75.113 8.625 0.765 460 2HB LYS 61 3HB LYS 61 75.387 9.658 -0.637 461 1HG LYS 61 2HG LYS 61 77.675 8.648 -0.860 462 2HG LYS 61 3HG LYS 61 77.252 7.524 0.430 463 1HD LYS 61 2HD LYS 61 76.771 6.327 -1.555 464 2HD LYS 61 3HD LYS 61 75.199 6.924 -1.021 465 1HE LYS 61 2HE LYS 61 75.297 8.766 -2.599 466 2HE LYS 61 3HE LYS 61 76.956 8.355 -3.038 467 1HZ LYS 61 HZ2 LYS 61 75.879 6.065 -3.586 468 2HZ LYS 61 HZ1 LYS 61 74.451 6.980 -3.713 469 3HZ LYS 61 HZ3 LYS 61 75.782 7.343 -4.701 470 H THR 62 HN THR 62 76.805 12.619 0.553 471 HA THR 62 HA THR 62 74.066 13.310 1.353 472 HB THR 62 HB THR 62 75.574 13.365 3.446 473 HG1 THR 62 HG1 THR 62 73.541 14.440 3.186 474 1HG2 THR 62 HG22 THR 62 77.225 14.855 1.805 475 2HG2 THR 62 HG21 THR 62 76.424 16.078 2.793 476 3HG2 THR 62 HG23 THR 62 77.325 14.774 3.562 477 H ALA 63 HN ALA 63 73.874 15.847 1.102 478 HA ALA 63 HA ALA 63 74.475 16.516 -1.575 479 1HB ALA 63 HB1 ALA 63 72.860 17.670 0.109 480 2HB ALA 63 HB3 ALA 63 74.273 18.606 0.594 481 3HB ALA 63 HB2 ALA 63 73.689 18.689 -1.068 482 H THR 64 HN THR 64 76.503 16.522 1.226 483 HA THR 64 HA THR 64 78.796 17.296 -0.389 484 HB THR 64 HB THR 64 77.696 19.485 0.244 485 HG1 THR 64 HG1 THR 64 80.143 19.385 1.566 486 1HG2 THR 64 HG23 THR 64 77.355 18.325 2.684 487 2HG2 THR 64 HG22 THR 64 78.802 19.291 2.974 488 3HG2 THR 64 HG21 THR 64 77.322 20.066 2.407 489 H GLY 65 HN GLY 65 79.244 15.070 0.473 490 1HA GLY 65 2HA GLY 65 80.859 15.275 2.902 491 2HA GLY 65 3HA GLY 65 79.434 14.260 3.102 492 H TYR 66 HN TYR 66 79.203 12.499 1.366 493 HA TYR 66 HA TYR 66 80.101 10.561 0.392 494 1HB TYR 66 2HB TYR 66 82.252 12.565 -0.320 495 2HB TYR 66 3HB TYR 66 82.254 10.901 -0.898 496 HD1 TYR 66 HD1 TYR 66 80.343 10.069 -2.299 497 HD2 TYR 66 HD2 TYR 66 80.819 14.215 -1.283 498 HE1 TYR 66 HE1 TYR 66 78.791 10.694 -4.127 499 HE2 TYR 66 HE2 TYR 66 79.271 14.842 -3.118 500 HH TYR 66 HH TYR 66 78.547 13.078 -5.592 501 H GLY 67 HN GLY 67 81.499 12.111 2.997 502 1HA GLY 67 2HA GLY 67 82.367 10.269 4.628 503 2HA GLY 67 3HA GLY 67 83.566 9.990 3.361 504 H PHE 68 HN PHE 68 85.284 11.420 3.145 505 HA PHE 68 HA PHE 68 85.780 13.207 5.412 506 1HB PHE 68 2HB PHE 68 87.394 12.857 2.867 507 2HB PHE 68 3HB PHE 68 87.957 13.568 4.374 508 HD1 PHE 68 HD1 PHE 68 87.173 11.819 6.479 509 HD2 PHE 68 HD2 PHE 68 88.351 10.804 2.476 510 HE1 PHE 68 HE1 PHE 68 87.870 9.568 7.253 511 HE2 PHE 68 HE2 PHE 68 89.045 8.553 3.248 512 HZ PHE 68 HZ PHE 68 88.809 7.935 5.637 513 H ALA 69 HN ALA 69 85.385 15.426 5.379 514 HA ALA 69 HA ALA 69 84.876 16.671 2.697 515 1HB ALA 69 HB1 ALA 69 82.773 16.249 4.070 516 2HB ALA 69 HB3 ALA 69 83.402 17.407 5.243 517 3HB ALA 69 HB2 ALA 69 83.036 17.927 3.598 518 H GLU 70 HN GLU 70 86.545 16.808 5.699 519 HA GLU 70 HA GLU 70 86.921 19.642 5.888 520 1HB GLU 70 2HB GLU 70 87.477 18.033 7.727 521 2HB GLU 70 3HB GLU 70 88.865 17.492 6.789 522 1HG GLU 70 2HG GLU 70 89.623 19.159 8.371 523 2HG GLU 70 3HG GLU 70 89.697 19.851 6.751 524 HA PRO 71 HA PRO 71 90.635 18.982 3.006 525 1HB PRO 71 2HB PRO 71 90.953 16.600 1.753 526 2HB PRO 71 3HB PRO 71 91.525 16.875 3.409 527 1HG PRO 71 2HG PRO 71 89.238 15.300 2.450 528 2HG PRO 71 3HG PRO 71 90.160 15.160 3.954 529 1HD PRO 71 2HD PRO 71 87.610 16.430 3.575 530 2HD PRO 71 3HD PRO 71 88.559 16.328 5.068 531 H TYR 72 HN TYR 72 88.267 16.715 1.630 532 HA TYR 72 HA TYR 72 87.836 18.621 -0.635 533 1HB TYR 72 2HB TYR 72 87.833 15.582 -0.689 534 2HB TYR 72 3HB TYR 72 87.404 16.618 -2.050 535 HD1 TYR 72 HD2 TYR 72 89.212 18.487 -2.632 536 HD2 TYR 72 HD1 TYR 72 90.033 14.843 -0.510 537 HE1 TYR 72 HE2 TYR 72 91.606 18.660 -3.260 538 HE2 TYR 72 HE1 TYR 72 92.425 15.014 -1.140 539 HH TYR 72 HH TYR 72 93.554 16.985 -3.548 540 H ASN 73 HN ASN 73 85.871 19.502 -0.070 541 HA ASN 73 HA ASN 73 83.808 17.797 1.184 542 1HB ASN 73 2HB ASN 73 82.616 19.839 1.581 543 2HB ASN 73 3HB ASN 73 84.315 20.179 1.912 544 1HD2 ASN 73 HD22 ASN 73 83.463 22.981 -0.229 545 2HD2 ASN 73 HD21 ASN 73 83.378 22.495 1.395 546 H LEU 74 HN LEU 74 84.713 17.603 -1.726 547 HA LEU 74 HA LEU 74 82.006 17.335 -2.828 548 1HB LEU 74 2HB LEU 74 82.435 19.701 -3.284 549 2HB LEU 74 3HB LEU 74 83.972 19.299 -4.047 550 HG LEU 74 HG LEU 74 82.709 17.895 -5.706 551 1HD1 LEU 74 HD12 LEU 74 80.443 18.939 -4.047 552 2HD1 LEU 74 HD11 LEU 74 80.183 18.709 -5.778 553 3HD1 LEU 74 HD13 LEU 74 80.659 17.343 -4.770 554 1HD2 LEU 74 HD21 LEU 74 83.333 20.405 -5.976 555 2HD2 LEU 74 HD23 LEU 74 82.139 19.728 -7.085 556 3HD2 LEU 74 HD22 LEU 74 81.615 20.709 -5.718 557 H TYR 75 HN TYR 75 82.331 15.210 -3.398 558 HA TYR 75 HA TYR 75 84.804 14.455 -4.860 559 1HB TYR 75 2HB TYR 75 82.527 12.783 -3.750 560 2HB TYR 75 3HB TYR 75 83.959 12.128 -4.548 561 HD1 TYR 75 HD2 TYR 75 82.953 14.400 -1.749 562 HD2 TYR 75 HD1 TYR 75 85.887 11.670 -3.287 563 HE1 TYR 75 HE2 TYR 75 84.208 14.551 0.383 564 HE2 TYR 75 HE1 TYR 75 87.139 11.828 -1.155 565 HH TYR 75 HH TYR 75 87.260 13.780 0.770 566 H SER 76 HN SER 76 84.774 13.823 -7.027 567 HA SER 76 HA SER 76 82.630 14.760 -8.683 568 1HB SER 76 2HB SER 76 83.860 13.671 -10.521 569 2HB SER 76 3HB SER 76 84.952 14.579 -9.478 570 HG SER 76 HG SER 76 85.783 12.750 -8.739 571 H SER 77 HN SER 77 83.539 11.441 -7.687 572 HA SER 77 HA SER 77 80.776 10.578 -7.852 573 1HB SER 77 2HB SER 77 81.040 8.959 -9.678 574 2HB SER 77 3HB SER 77 81.338 10.593 -10.262 575 HG SER 77 HG SER 77 83.637 10.038 -9.699 576 H LEU 78 HN LEU 78 80.595 8.229 -7.258 577 HA LEU 78 HA LEU 78 82.399 7.575 -5.134 578 1HB LEU 78 2HB LEU 78 80.336 5.923 -6.605 579 2HB LEU 78 3HB LEU 78 81.228 5.331 -5.203 580 HG LEU 78 HG LEU 78 79.627 7.902 -5.185 581 1HD1 LEU 78 HD12 LEU 78 78.856 5.090 -4.351 582 2HD1 LEU 78 HD11 LEU 78 77.972 6.533 -3.857 583 3HD1 LEU 78 HD13 LEU 78 78.065 6.096 -5.563 584 1HD2 LEU 78 HD22 LEU 78 81.390 6.482 -3.317 585 2HD2 LEU 78 HD21 LEU 78 80.818 8.149 -3.270 586 3HD2 LEU 78 HD23 LEU 78 79.812 6.852 -2.623 587 H LYS 79 HN LYS 79 82.230 6.477 -8.519 588 HA LYS 79 HA LYS 79 84.133 4.366 -8.336 589 1HB LYS 79 2HB LYS 79 82.734 4.821 -10.340 590 2HB LYS 79 3HB LYS 79 83.679 6.276 -10.654 591 1HG LYS 79 2HG LYS 79 85.705 4.934 -10.948 592 2HG LYS 79 3HG LYS 79 84.819 3.465 -10.536 593 1HD LYS 79 2HD LYS 79 84.189 5.269 -12.894 594 2HD LYS 79 3HD LYS 79 85.064 3.741 -12.998 595 1HE LYS 79 2HE LYS 79 82.909 3.020 -13.462 596 2HE LYS 79 3HE LYS 79 82.942 2.817 -11.710 597 1HZ LYS 79 HZ2 LYS 79 82.221 5.391 -11.974 598 2HZ LYS 79 HZ1 LYS 79 81.453 4.688 -13.316 599 3HZ LYS 79 HZ3 LYS 79 81.133 4.102 -11.758 600 H GLU 80 HN GLU 80 84.597 7.841 -8.981 601 HA GLU 80 HA GLU 80 87.462 7.680 -9.209 602 1HB GLU 80 2HB GLU 80 85.656 10.002 -8.468 603 2HB GLU 80 3HB GLU 80 87.378 10.149 -8.830 604 1HG GLU 80 2HG GLU 80 86.950 9.111 -11.062 605 2HG GLU 80 3HG GLU 80 85.224 9.118 -10.699 606 H LEU 81 HN LEU 81 85.248 7.933 -6.510 607 HA LEU 81 HA LEU 81 87.028 8.859 -4.510 608 1HB LEU 81 2HB LEU 81 84.571 8.595 -4.228 609 2HB LEU 81 3HB LEU 81 84.780 6.847 -4.205 610 HG LEU 81 HG LEU 81 86.358 8.569 -2.308 611 1HD1 LEU 81 HD12 LEU 81 83.431 8.013 -2.258 612 2HD1 LEU 81 HD11 LEU 81 84.302 7.831 -0.734 613 3HD1 LEU 81 HD13 LEU 81 84.331 9.375 -1.587 614 1HD2 LEU 81 HD22 LEU 81 85.514 5.703 -2.539 615 2HD2 LEU 81 HD21 LEU 81 87.073 6.380 -2.071 616 3HD2 LEU 81 HD23 LEU 81 85.734 6.376 -0.926 617 H VAL 82 HN VAL 82 86.411 5.502 -5.632 618 HA VAL 82 HA VAL 82 88.191 4.296 -3.724 619 HB VAL 82 HB VAL 82 87.413 3.291 -6.478 620 1HG1 VAL 82 HG11 VAL 82 88.500 1.865 -4.034 621 2HG1 VAL 82 HG13 VAL 82 87.972 1.079 -5.523 622 3HG1 VAL 82 HG12 VAL 82 89.375 2.148 -5.539 623 1HG2 VAL 82 HG21 VAL 82 85.949 3.586 -3.978 624 2HG2 VAL 82 HG23 VAL 82 85.353 3.103 -5.566 625 3HG2 VAL 82 HG22 VAL 82 86.035 1.898 -4.476 626 H LEU 83 HN LEU 83 88.693 5.388 -7.095 627 HA LEU 83 HA LEU 83 91.457 4.581 -7.216 628 1HB LEU 83 2HB LEU 83 89.815 6.592 -8.770 629 2HB LEU 83 3HB LEU 83 91.534 6.378 -9.075 630 HG LEU 83 HG LEU 83 90.327 5.007 -10.649 631 1HD1 LEU 83 HD11 LEU 83 92.348 4.073 -9.230 632 2HD1 LEU 83 HD13 LEU 83 91.126 2.964 -8.613 633 3HD1 LEU 83 HD12 LEU 83 91.473 3.021 -10.341 634 1HD2 LEU 83 HD21 LEU 83 88.942 3.795 -8.237 635 2HD2 LEU 83 HD23 LEU 83 88.197 4.861 -9.425 636 3HD2 LEU 83 HD22 LEU 83 88.749 3.257 -9.904 637 H HIS 84 HN HIS 84 89.871 7.636 -6.373 638 HA HIS 84 HA HIS 84 92.197 9.232 -6.067 639 1HB HIS 84 2HB HIS 84 89.804 10.027 -6.080 640 2HB HIS 84 3HB HIS 84 89.652 9.419 -4.431 641 HD1 HIS 84 HD1 HIS 84 91.516 12.010 -6.464 642 HD2 HIS 84 HD2 HIS 84 90.815 11.052 -2.468 643 HE1 HIS 84 HE1 HIS 84 92.434 13.933 -5.094 644 H TYR 85 HN TYR 85 90.557 7.107 -3.749 645 HA TYR 85 HA TYR 85 92.165 7.876 -1.490 646 1HB TYR 85 2HB TYR 85 90.309 5.592 -2.090 647 2HB TYR 85 3HB TYR 85 91.254 5.603 -0.603 648 HD1 TYR 85 HD2 TYR 85 90.294 8.822 -2.054 649 HD2 TYR 85 HD1 TYR 85 89.124 5.734 0.693 650 HE1 TYR 85 HE2 TYR 85 88.676 10.359 -1.013 651 HE2 TYR 85 HE1 TYR 85 87.493 7.282 1.735 652 HH TYR 85 HH TYR 85 86.529 10.165 0.308 653 H GLN 86 HN GLN 86 92.731 5.509 -4.040 654 HA GLN 86 HA GLN 86 94.541 3.837 -2.605 655 1HB GLN 86 2HB GLN 86 95.226 2.987 -4.684 656 2HB GLN 86 3HB GLN 86 93.588 3.552 -5.010 657 1HG GLN 86 2HG GLN 86 94.676 5.768 -5.714 658 2HG GLN 86 3HG GLN 86 96.199 4.885 -5.718 659 1HE2 GLN 86 HE22 GLN 86 95.566 3.730 -8.967 660 2HE2 GLN 86 HE21 GLN 86 96.678 4.357 -7.848 661 H HIS 87 HN HIS 87 95.032 7.023 -4.070 662 HA HIS 87 HA HIS 87 97.943 6.809 -3.559 663 1HB HIS 87 2HB HIS 87 98.204 8.818 -4.782 664 2HB HIS 87 3HB HIS 87 96.921 7.961 -5.635 665 HD1 HIS 87 HD1 HIS 87 94.476 8.851 -5.323 666 HD2 HIS 87 HD2 HIS 87 97.390 11.190 -3.477 667 HE1 HIS 87 HE1 HIS 87 93.365 11.042 -4.720 668 H THR 88 HN THR 88 95.199 7.608 -1.828 669 HA THR 88 HA THR 88 96.546 9.696 -0.210 670 HB THR 88 HB THR 88 94.362 9.986 0.817 671 HG1 THR 88 HG1 THR 88 93.185 8.293 0.936 672 1HG2 THR 88 HG22 THR 88 94.571 9.881 -2.153 673 2HG2 THR 88 HG21 THR 88 92.981 10.176 -1.443 674 3HG2 THR 88 HG23 THR 88 94.320 11.270 -1.093 675 H SER 89 HN SER 89 97.192 9.304 1.890 676 HA SER 89 HA SER 89 97.137 6.464 2.763 677 1HB SER 89 2HB SER 89 99.320 7.609 2.738 678 2HB SER 89 3HB SER 89 98.688 8.850 3.813 679 HG SER 89 HG SER 89 98.151 6.476 4.872 680 H LEU 90 HN LEU 90 95.729 5.851 4.362 681 HA LEU 90 HA LEU 90 93.925 7.761 5.545 682 1HB LEU 90 2HB LEU 90 94.544 4.889 6.289 683 2HB LEU 90 3HB LEU 90 93.246 5.841 7.010 684 HG LEU 90 HG LEU 90 93.506 5.450 4.028 685 1HD1 LEU 90 HD13 LEU 90 92.838 3.482 5.981 686 2HD1 LEU 90 HD12 LEU 90 91.344 3.951 5.172 687 3HD1 LEU 90 HD11 LEU 90 92.706 3.353 4.226 688 1HD2 LEU 90 HD23 LEU 90 91.830 7.012 5.762 689 2HD2 LEU 90 HD22 LEU 90 91.794 6.911 4.001 690 3HD2 LEU 90 HD21 LEU 90 90.839 5.788 4.968 691 H VAL 91 HN VAL 91 97.106 6.711 6.408 692 HA VAL 91 HA VAL 91 97.809 6.703 8.911 693 HB VAL 91 HB VAL 91 99.356 7.638 7.247 694 1HG1 VAL 91 HG11 VAL 91 97.478 9.242 6.385 695 2HG1 VAL 91 HG13 VAL 91 98.100 10.349 7.611 696 3HG1 VAL 91 HG12 VAL 91 99.156 9.779 6.319 697 1HG2 VAL 91 HG23 VAL 91 99.851 7.983 9.651 698 2HG2 VAL 91 HG22 VAL 91 100.475 9.301 8.667 699 3HG2 VAL 91 HG21 VAL 91 98.995 9.524 9.597 700 H GLN 92 HN GLN 92 96.451 9.828 7.768 701 HA GLN 92 HA GLN 92 96.145 11.276 10.046 702 1HB GLN 92 2HB GLN 92 95.184 11.830 7.768 703 2HB GLN 92 3HB GLN 92 93.799 10.822 8.188 704 1HG GLN 92 2HG GLN 92 93.195 13.070 8.774 705 2HG GLN 92 3HG GLN 92 93.556 12.241 10.289 706 1HE2 GLN 92 HE22 GLN 92 96.431 14.831 8.873 707 2HE2 GLN 92 HE21 GLN 92 95.526 13.921 7.763 708 H HIS 93 HN HIS 93 94.513 11.443 11.756 709 HA HIS 93 HA HIS 93 93.254 10.456 13.486 710 1HB HIS 93 2HB HIS 93 91.569 10.367 11.607 711 2HB HIS 93 3HB HIS 93 92.148 8.746 11.227 712 HD1 HIS 93 HD1 HIS 93 91.574 6.842 12.903 713 HD2 HIS 93 HD2 HIS 93 90.032 10.556 14.005 714 HE1 HIS 93 HE1 HIS 93 89.904 6.403 14.757 715 H ASN 94 HN ASN 94 94.603 9.266 14.811 716 HA ASN 94 HA ASN 94 95.900 7.449 15.541 717 1HB ASN 94 2HB ASN 94 93.924 6.037 13.723 718 2HB ASN 94 3HB ASN 94 95.137 5.173 14.667 719 1HD2 ASN 94 HD22 ASN 94 91.757 6.129 16.490 720 2HD2 ASN 94 HD21 ASN 94 91.950 5.984 14.810 721 H ASP 95 HN ASP 95 97.503 8.694 14.237 722 HA ASP 95 HA ASP 95 98.373 8.591 11.720 723 1HB ASP 95 2HB ASP 95 100.059 7.995 14.160 724 2HB ASP 95 3HB ASP 95 100.743 8.336 12.571 725 H SER 96 HN SER 96 97.987 5.708 13.623 726 HA SER 96 HA SER 96 99.727 4.105 11.939 727 1HB SER 96 2HB SER 96 98.877 2.199 13.191 728 2HB SER 96 3HB SER 96 99.187 3.514 14.323 729 HG SER 96 HG SER 96 97.137 2.596 14.678 730 H LEU 97 HN LEU 97 97.215 5.646 10.848 731 HA LEU 97 HA LEU 97 95.912 3.284 9.591 732 1HB LEU 97 2HB LEU 97 95.222 6.242 9.387 733 2HB LEU 97 3HB LEU 97 94.318 4.929 8.636 734 HG LEU 97 HG LEU 97 94.721 5.346 11.612 735 1HD1 LEU 97 HD11 LEU 97 92.977 6.683 10.079 736 2HD1 LEU 97 HD13 LEU 97 92.051 5.197 10.276 737 3HD1 LEU 97 HD12 LEU 97 92.543 6.121 11.694 738 1HD2 LEU 97 HD21 LEU 97 93.758 3.049 9.976 739 2HD2 LEU 97 HD23 LEU 97 94.556 3.050 11.547 740 3HD2 LEU 97 HD22 LEU 97 92.838 3.429 11.430 741 H ASN 98 HN ASN 98 98.620 3.721 9.007 742 HA ASN 98 HA ASN 98 98.878 5.273 6.554 743 1HB ASN 98 2HB ASN 98 100.690 3.342 8.007 744 2HB ASN 98 3HB ASN 98 101.157 4.134 6.501 745 1HD2 ASN 98 HD22 ASN 98 101.230 6.204 9.986 746 2HD2 ASN 98 HD21 ASN 98 100.751 4.577 9.934 747 H VAL 99 HN VAL 99 97.122 4.196 5.383 748 HA VAL 99 HA VAL 99 98.157 1.974 3.755 749 HB VAL 99 HB VAL 99 97.004 0.777 5.559 750 1HG1 VAL 99 HG12 VAL 99 94.757 2.669 4.839 751 2HG1 VAL 99 HG11 VAL 99 94.462 1.157 5.698 752 3HG1 VAL 99 HG13 VAL 99 95.481 2.399 6.425 753 1HG2 VAL 99 HG22 VAL 99 96.805 0.020 3.155 754 2HG2 VAL 99 HG21 VAL 99 95.487 -0.519 4.198 755 3HG2 VAL 99 HG23 VAL 99 95.242 0.836 3.096 756 H THR 100 HN THR 100 96.851 1.725 1.780 757 HA THR 100 HA THR 100 95.004 4.028 1.310 758 HB THR 100 HB THR 100 95.940 4.400 -0.878 759 HG1 THR 100 HG1 THR 100 97.029 1.929 -0.405 760 1HG2 THR 100 HG21 THR 100 97.492 4.634 1.527 761 2HG2 THR 100 HG23 THR 100 98.572 4.310 0.170 762 3HG2 THR 100 HG22 THR 100 97.479 5.692 0.117 763 H LEU 101 HN LEU 101 93.413 3.588 -0.422 764 HA LEU 101 HA LEU 101 92.580 0.763 -0.415 765 1HB LEU 101 2HB LEU 101 91.371 3.146 -1.861 766 2HB LEU 101 3HB LEU 101 90.593 1.586 -1.594 767 HG LEU 101 HG LEU 101 91.343 3.663 0.471 768 1HD1 LEU 101 HD12 LEU 101 89.140 3.828 -0.722 769 2HD1 LEU 101 HD11 LEU 101 88.733 2.230 -0.097 770 3HD1 LEU 101 HD13 LEU 101 88.980 3.575 1.016 771 1HD2 LEU 101 HD21 LEU 101 90.714 0.731 0.781 772 2HD2 LEU 101 HD23 LEU 101 92.033 1.651 1.505 773 3HD2 LEU 101 HD22 LEU 101 90.381 1.877 2.075 774 H ALA 102 HN ALA 102 94.815 0.404 -1.573 775 HA ALA 102 HA ALA 102 94.580 0.967 -4.471 776 1HB ALA 102 HB1 ALA 102 96.649 1.640 -3.330 777 2HB ALA 102 HB3 ALA 102 96.946 -0.039 -2.880 778 3HB ALA 102 HB2 ALA 102 96.966 0.437 -4.578 779 H TYR 103 HN TYR 103 94.631 -1.862 -2.304 780 HA TYR 103 HA TYR 103 94.685 -3.526 -4.783 781 1HB TYR 103 2HB TYR 103 96.455 -3.979 -3.112 782 2HB TYR 103 3HB TYR 103 95.211 -4.369 -1.926 783 HD1 TYR 103 HD2 TYR 103 96.231 -5.264 -5.425 784 HD2 TYR 103 HD1 TYR 103 94.533 -6.584 -1.716 785 HE1 TYR 103 HE2 TYR 103 96.126 -7.584 -6.297 786 HE2 TYR 103 HE1 TYR 103 94.430 -8.899 -2.578 787 HH TYR 103 HH TYR 103 96.046 -10.117 -4.763 788 HA PRO 104 HA PRO 104 90.326 -4.308 -3.938 789 1HB PRO 104 2HB PRO 104 89.897 -6.021 -6.002 790 2HB PRO 104 3HB PRO 104 90.077 -4.271 -6.231 791 1HG PRO 104 2HG PRO 104 92.053 -6.453 -6.658 792 2HG PRO 104 3HG PRO 104 91.735 -5.013 -7.639 793 1HD PRO 104 2HD PRO 104 93.830 -5.207 -5.884 794 2HD PRO 104 3HD PRO 104 93.070 -3.665 -6.330 795 H VAL 105 HN VAL 105 89.131 -5.971 -2.927 796 HA VAL 105 HA VAL 105 90.697 -8.242 -1.934 797 HB VAL 105 HB VAL 105 89.077 -6.897 -0.524 798 1HG1 VAL 105 HG11 VAL 105 87.125 -8.263 -2.370 799 2HG1 VAL 105 HG13 VAL 105 86.665 -7.867 -0.723 800 3HG1 VAL 105 HG12 VAL 105 87.157 -6.587 -1.835 801 1HG2 VAL 105 HG23 VAL 105 89.080 -9.882 -0.766 802 2HG2 VAL 105 HG22 VAL 105 89.703 -8.861 0.530 803 3HG2 VAL 105 HG21 VAL 105 87.967 -9.130 0.377 804 H TYR 106 HN TYR 106 88.089 -7.741 -4.283 805 HA TYR 106 HA TYR 106 88.346 -10.635 -4.962 806 1HB TYR 106 2HB TYR 106 85.847 -8.994 -4.644 807 2HB TYR 106 3HB TYR 106 85.866 -10.419 -5.683 808 HD1 TYR 106 HD1 TYR 106 87.077 -12.547 -4.549 809 HD2 TYR 106 HD2 TYR 106 85.218 -9.313 -2.423 810 HE1 TYR 106 HE1 TYR 106 86.802 -14.008 -2.565 811 HE2 TYR 106 HE2 TYR 106 84.949 -10.773 -0.437 812 HH TYR 106 HH TYR 106 86.257 -14.072 -0.392 813 H ALA 107 HN ALA 107 89.958 -9.175 -6.369 814 HA ALA 107 HA ALA 107 88.560 -8.191 -8.800 815 1HB ALA 107 HB1 ALA 107 91.459 -8.120 -7.921 816 2HB ALA 107 HB3 ALA 107 90.921 -7.572 -9.507 817 3HB ALA 107 HB2 ALA 107 90.348 -6.756 -8.052 818 H GLN 108 HN GLN 108 88.818 -9.177 -10.827 819 HA GLN 108 HA GLN 108 90.131 -11.869 -10.790 820 1HB GLN 108 2HB GLN 108 87.703 -10.904 -12.330 821 2HB GLN 108 3HB GLN 108 88.474 -12.473 -12.571 822 1HG GLN 108 2HG GLN 108 88.011 -13.119 -10.285 823 2HG GLN 108 3HG GLN 108 87.408 -11.507 -9.904 824 1HE2 GLN 108 HE22 GLN 108 84.174 -12.715 -10.635 825 2HE2 GLN 108 HE21 GLN 108 85.212 -12.035 -9.477 826 H GLN 109 HN GLN 109 91.137 -12.517 -12.835 827 HA GLN 109 HA GLN 109 92.519 -10.291 -14.124 828 1HB GLN 109 2HB GLN 109 93.596 -12.512 -13.647 829 2HB GLN 109 3HB GLN 109 92.544 -13.232 -14.863 830 1HG GLN 109 2HG GLN 109 94.660 -12.731 -15.923 831 2HG GLN 109 3HG GLN 109 93.466 -11.586 -16.533 832 1HE2 GLN 109 HE22 GLN 109 95.823 -9.071 -15.701 833 2HE2 GLN 109 HE21 GLN 109 95.018 -9.886 -16.954 834 H ARG 110 HN ARG 110 91.767 -9.233 -15.885 835 HA ARG 110 HA ARG 110 89.886 -10.688 -17.697 836 1HB ARG 110 2HB ARG 110 89.711 -7.806 -16.774 837 2HB ARG 110 3HB ARG 110 88.689 -8.532 -18.018 838 1HG ARG 110 2HG ARG 110 87.847 -10.167 -16.395 839 2HG ARG 110 3HG ARG 110 88.898 -9.494 -15.153 840 1HD ARG 110 2HD ARG 110 87.530 -7.740 -14.777 841 2HD ARG 110 3HD ARG 110 87.260 -7.461 -16.495 842 HE ARG 110 HE ARG 110 85.435 -8.719 -14.712 843 1HH1 ARG 110 HH21 ARG 110 86.927 -9.342 -17.770 844 2HH1 ARG 110 HH22 ARG 110 85.670 -10.410 -18.299 845 1HH2 ARG 110 HH11 ARG 110 83.808 -10.089 -15.393 846 2HH2 ARG 110 HH12 ARG 110 83.905 -10.833 -16.954 847 H ARG 111 HN ARG 111 89.746 -9.477 -19.867 848 HA ARG 111 HA ARG 111 90.858 -8.716 -21.784 849 1HB ARG 111 2HB ARG 111 91.175 -6.681 -20.286 850 2HB ARG 111 3HB ARG 111 92.759 -7.337 -19.868 851 1HG ARG 111 2HG ARG 111 93.238 -7.455 -22.360 852 2HG ARG 111 3HG ARG 111 91.766 -6.512 -22.599 853 1HD ARG 111 2HD ARG 111 93.144 -5.141 -20.596 854 2HD ARG 111 3HD ARG 111 94.408 -5.631 -21.723 855 HE ARG 111 HE ARG 111 92.772 -3.448 -22.182 856 1HH1 ARG 111 HH21 ARG 111 93.268 -6.505 -23.720 857 2HH1 ARG 111 HH22 ARG 111 92.757 -5.945 -25.275 858 1HH2 ARG 111 HH11 ARG 111 92.125 -2.716 -24.207 859 2HH2 ARG 111 HH12 ARG 111 92.115 -3.808 -25.552 No H/Q in entry = 859 Start of MODEL 10 1 1H GLU 1 HT1 GLU 1 96.503 -1.352 -17.613 2 2H GLU 1 HT3 GLU 1 97.372 -0.804 -18.962 3 3H GLU 1 HT2 GLU 1 97.922 -0.444 -17.396 4 HA GLU 1 HA GLU 1 96.787 1.436 -17.417 5 1HB GLU 1 2HB GLU 1 97.099 1.317 -19.874 6 2HB GLU 1 3HB GLU 1 95.579 0.433 -20.012 7 1HG GLU 1 2HG GLU 1 94.330 2.316 -19.148 8 2HG GLU 1 3HG GLU 1 95.818 3.190 -18.778 9 H ASP 2 HN ASP 2 95.025 -1.534 -17.720 10 HA ASP 2 HA ASP 2 92.420 -0.362 -17.105 11 1HB ASP 2 2HB ASP 2 92.701 -2.511 -18.371 12 2HB ASP 2 3HB ASP 2 93.296 -3.254 -16.885 13 H LEU 3 HN LEU 3 91.759 0.208 -15.091 14 HA LEU 3 HA LEU 3 93.340 -0.760 -12.763 15 1HB LEU 3 2HB LEU 3 91.344 1.509 -13.015 16 2HB LEU 3 3HB LEU 3 92.224 1.099 -11.544 17 HG LEU 3 HG LEU 3 93.564 1.818 -14.167 18 1HD1 LEU 3 HD13 LEU 3 92.140 3.544 -12.562 19 2HD1 LEU 3 HD12 LEU 3 93.768 3.682 -11.900 20 3HD1 LEU 3 HD11 LEU 3 93.481 4.015 -13.608 21 1HD2 LEU 3 HD21 LEU 3 94.497 1.204 -11.369 22 2HD2 LEU 3 HD23 LEU 3 95.138 0.619 -12.906 23 3HD2 LEU 3 HD22 LEU 3 95.447 2.278 -12.397 24 HA PRO 4 HA PRO 4 89.836 -3.588 -12.136 25 1HB PRO 4 2HB PRO 4 91.050 -3.953 -9.454 26 2HB PRO 4 3HB PRO 4 90.671 -5.164 -10.694 27 1HG PRO 4 2HG PRO 4 93.183 -4.409 -10.147 28 2HG PRO 4 3HG PRO 4 92.662 -4.877 -11.774 29 1HD PRO 4 2HD PRO 4 93.221 -2.148 -10.687 30 2HD PRO 4 3HD PRO 4 93.459 -2.793 -12.330 31 H HIS 5 HN HIS 5 90.674 -0.793 -10.396 32 HA HIS 5 HA HIS 5 88.714 -0.835 -8.301 33 1HB HIS 5 2HB HIS 5 90.047 1.464 -9.746 34 2HB HIS 5 3HB HIS 5 89.099 1.627 -8.269 35 HD1 HIS 5 HD1 HIS 5 90.000 0.011 -6.220 36 HD2 HIS 5 HD2 HIS 5 92.711 0.927 -9.249 37 HE1 HIS 5 HE1 HIS 5 92.302 -0.486 -5.294 38 H HIS 6 HN HIS 6 88.559 0.147 -11.695 39 HA HIS 6 HA HIS 6 86.134 1.642 -11.535 40 1HB HIS 6 2HB HIS 6 85.961 1.237 -13.964 41 2HB HIS 6 3HB HIS 6 87.606 1.682 -13.507 42 HD1 HIS 6 HD1 HIS 6 87.293 -1.600 -12.285 43 HD2 HIS 6 HD2 HIS 6 87.775 -0.036 -16.117 44 HE1 HIS 6 HE1 HIS 6 88.209 -3.477 -13.713 45 H ASP 7 HN ASP 7 86.687 -1.723 -11.184 46 HA ASP 7 HA ASP 7 83.840 -2.321 -11.787 47 1HB ASP 7 2HB ASP 7 85.782 -3.759 -12.711 48 2HB ASP 7 3HB ASP 7 85.935 -4.361 -11.060 49 H GLU 8 HN GLU 8 82.461 -2.501 -10.095 50 HA GLU 8 HA GLU 8 83.324 -2.010 -7.412 51 1HB GLU 8 2HB GLU 8 80.698 -3.135 -8.423 52 2HB GLU 8 3HB GLU 8 80.973 -2.473 -6.813 53 1HG GLU 8 2HG GLU 8 80.262 -0.524 -7.757 54 2HG GLU 8 3HG GLU 8 81.920 -0.442 -8.353 55 H LYS 9 HN LYS 9 82.851 -4.969 -9.198 56 HA LYS 9 HA LYS 9 82.582 -6.775 -7.009 57 1HB LYS 9 2HB LYS 9 83.652 -7.053 -9.810 58 2HB LYS 9 3HB LYS 9 83.701 -8.406 -8.686 59 1HG LYS 9 2HG LYS 9 81.670 -8.397 -10.151 60 2HG LYS 9 3HG LYS 9 81.299 -8.369 -8.430 61 1HD LYS 9 2HD LYS 9 79.875 -6.762 -9.588 62 2HD LYS 9 3HD LYS 9 81.015 -5.890 -8.571 63 1HE LYS 9 2HE LYS 9 81.881 -4.822 -10.372 64 2HE LYS 9 3HE LYS 9 82.169 -6.358 -11.189 65 1HZ LYS 9 HZ1 LYS 9 79.519 -6.142 -11.394 66 2HZ LYS 9 HZ3 LYS 9 79.967 -4.506 -11.453 67 3HZ LYS 9 HZ2 LYS 9 80.611 -5.603 -12.579 68 H THR 10 HN THR 10 85.398 -5.426 -8.634 69 HA THR 10 HA THR 10 87.377 -7.018 -7.387 70 HB THR 10 HB THR 10 88.874 -5.022 -7.865 71 HG1 THR 10 HG1 THR 10 86.503 -4.003 -9.022 72 1HG2 THR 10 HG21 THR 10 87.295 -6.626 -9.739 73 2HG2 THR 10 HG23 THR 10 87.892 -5.122 -10.445 74 3HG2 THR 10 HG22 THR 10 89.024 -6.272 -9.739 75 H TRP 11 HN TRP 11 85.651 -4.157 -6.192 76 HA TRP 11 HA TRP 11 87.109 -4.581 -3.612 77 1HB TRP 11 2HB TRP 11 86.335 -1.998 -3.399 78 2HB TRP 11 3HB TRP 11 87.897 -2.490 -4.054 79 HD1 TRP 11 HD1 TRP 11 87.960 -2.834 -6.782 80 HE1 TRP 11 HE1 TRP 11 86.755 -1.488 -8.625 81 HE3 TRP 11 HE3 TRP 11 84.364 -0.599 -3.984 82 HZ2 TRP 11 HZ2 TRP 11 84.548 0.372 -8.846 83 HZ3 TRP 11 HZ3 TRP 11 82.736 0.964 -5.002 84 HH2 TRP 11 HH2 TRP 11 82.826 1.450 -7.430 85 H ASN 12 HN ASN 12 83.974 -3.843 -5.112 86 HA ASN 12 HA ASN 12 82.712 -3.640 -2.456 87 1HB ASN 12 2HB ASN 12 81.999 -2.277 -4.490 88 2HB ASN 12 3HB ASN 12 81.294 -3.769 -5.117 89 1HD2 ASN 12 HD22 ASN 12 79.085 -1.685 -2.595 90 2HD2 ASN 12 HD21 ASN 12 80.317 -1.056 -3.579 91 H VAL 13 HN VAL 13 81.732 -5.285 -1.397 92 HA VAL 13 HA VAL 13 81.457 -7.890 -2.836 93 HB VAL 13 HB VAL 13 81.484 -8.924 -0.597 94 1HG1 VAL 13 HG11 VAL 13 83.613 -7.917 -1.949 95 2HG1 VAL 13 HG13 VAL 13 83.806 -7.099 -0.398 96 3HG1 VAL 13 HG12 VAL 13 83.760 -8.862 -0.466 97 1HG2 VAL 13 HG23 VAL 13 81.694 -6.039 0.300 98 2HG2 VAL 13 HG22 VAL 13 80.446 -7.207 0.730 99 3HG2 VAL 13 HG21 VAL 13 82.087 -7.403 1.345 100 H GLY 14 HN GLY 14 79.638 -5.289 -1.721 101 1HA GLY 14 2HA GLY 14 77.246 -5.153 -1.969 102 2HA GLY 14 3HA GLY 14 77.165 -6.915 -1.903 103 H SER 15 HN SER 15 75.435 -6.515 -0.269 104 HA SER 15 HA SER 15 76.036 -5.260 2.250 105 1HB SER 15 2HB SER 15 73.983 -6.325 3.043 106 2HB SER 15 3HB SER 15 73.721 -5.682 1.423 107 HG SER 15 HG SER 15 74.702 -8.130 1.187 108 H SER 16 HN SER 16 76.448 -6.314 4.284 109 HA SER 16 HA SER 16 77.091 -9.155 4.366 110 1HB SER 16 2HB SER 16 79.095 -8.282 3.228 111 2HB SER 16 3HB SER 16 79.317 -7.095 4.508 112 HG SER 16 HG SER 16 80.286 -8.585 5.604 113 H ASN 17 HN ASN 17 77.438 -9.852 6.545 114 HA ASN 17 HA ASN 17 76.468 -7.927 8.565 115 1HB ASN 17 2HB ASN 17 77.119 -10.889 8.747 116 2HB ASN 17 3HB ASN 17 76.428 -9.927 10.056 117 1HD2 ASN 17 HD22 ASN 17 73.556 -9.341 7.541 118 2HD2 ASN 17 HD21 ASN 17 74.860 -8.328 7.931 119 H ARG 18 HN ARG 18 79.287 -8.388 7.190 120 HA ARG 18 HA ARG 18 81.477 -7.880 7.746 121 1HB ARG 18 2HB ARG 18 80.112 -6.903 10.258 122 2HB ARG 18 3HB ARG 18 81.855 -6.796 10.030 123 1HG ARG 18 2HG ARG 18 79.803 -5.658 8.104 124 2HG ARG 18 3HG ARG 18 80.672 -4.716 9.320 125 1HD ARG 18 2HD ARG 18 82.135 -4.404 7.570 126 2HD ARG 18 3HD ARG 18 82.772 -5.934 8.161 127 HE ARG 18 HE ARG 18 80.744 -6.600 6.327 128 1HH1 ARG 18 HH21 ARG 18 83.690 -4.815 6.394 129 2HH1 ARG 18 HH22 ARG 18 84.064 -5.109 4.728 130 1HH2 ARG 18 HH11 ARG 18 81.211 -6.997 4.148 131 2HH2 ARG 18 HH12 ARG 18 82.658 -6.342 3.456 132 H ASN 19 HN ASN 19 79.893 -10.438 8.807 133 HA ASN 19 HA ASN 19 81.707 -11.366 10.908 134 1HB ASN 19 2HB ASN 19 80.504 -13.472 10.742 135 2HB ASN 19 3HB ASN 19 79.321 -12.167 10.662 136 1HD2 ASN 19 HD22 ASN 19 78.766 -14.661 7.850 137 2HD2 ASN 19 HD21 ASN 19 78.937 -14.855 9.527 138 H LYS 20 HN LYS 20 81.131 -12.264 7.495 139 HA LYS 20 HA LYS 20 83.518 -13.879 7.322 140 1HB LYS 20 2HB LYS 20 83.060 -13.963 4.952 141 2HB LYS 20 3HB LYS 20 81.503 -14.026 5.778 142 1HG LYS 20 2HG LYS 20 81.318 -11.540 5.482 143 2HG LYS 20 3HG LYS 20 82.784 -11.595 4.500 144 1HD LYS 20 2HD LYS 20 81.652 -13.224 2.975 145 2HD LYS 20 3HD LYS 20 80.179 -13.042 3.927 146 1HE LYS 20 2HE LYS 20 79.894 -10.793 3.289 147 2HE LYS 20 3HE LYS 20 81.568 -10.638 2.757 148 1HZ LYS 20 HZ3 LYS 20 79.906 -12.646 1.435 149 2HZ LYS 20 HZ2 LYS 20 79.600 -11.016 1.065 150 3HZ LYS 20 HZ1 LYS 20 81.143 -11.674 0.799 151 H ALA 21 HN ALA 21 82.770 -10.496 7.021 152 HA ALA 21 HA ALA 21 84.985 -9.562 5.530 153 1HB ALA 21 HB2 ALA 21 83.090 -8.125 6.250 154 2HB ALA 21 HB1 ALA 21 83.663 -8.234 7.915 155 3HB ALA 21 HB3 ALA 21 84.647 -7.426 6.696 156 H GLU 22 HN GLU 22 84.686 -10.174 9.055 157 HA GLU 22 HA GLU 22 87.336 -9.357 9.727 158 1HB GLU 22 2HB GLU 22 85.499 -11.432 10.962 159 2HB GLU 22 3HB GLU 22 87.048 -10.976 11.672 160 1HG GLU 22 2HG GLU 22 84.836 -9.005 11.024 161 2HG GLU 22 3HG GLU 22 85.091 -9.706 12.623 162 H ASN 23 HN ASN 23 86.031 -12.541 8.788 163 HA ASN 23 HA ASN 23 88.526 -13.935 8.819 164 1HB ASN 23 2HB ASN 23 85.973 -14.376 7.254 165 2HB ASN 23 3HB ASN 23 87.340 -15.491 7.204 166 1HD2 ASN 23 HD22 ASN 23 86.706 -15.547 11.051 167 2HD2 ASN 23 HD21 ASN 23 87.777 -14.547 10.196 168 H LEU 24 HN LEU 24 86.786 -12.148 6.273 169 HA LEU 24 HA LEU 24 88.761 -12.662 4.221 170 1HB LEU 24 2HB LEU 24 86.627 -10.538 4.509 171 2HB LEU 24 3HB LEU 24 87.639 -10.709 3.077 172 HG LEU 24 HG LEU 24 85.873 -12.888 4.223 173 1HD1 LEU 24 HD13 LEU 24 84.618 -10.989 3.190 174 2HD1 LEU 24 HD12 LEU 24 85.544 -11.222 1.708 175 3HD1 LEU 24 HD11 LEU 24 84.453 -12.487 2.271 176 1HD2 LEU 24 HD21 LEU 24 87.893 -12.725 2.028 177 2HD2 LEU 24 HD23 LEU 24 87.511 -14.071 3.098 178 3HD2 LEU 24 HD22 LEU 24 86.451 -13.698 1.741 179 H LEU 25 HN LEU 25 88.404 -10.246 6.745 180 HA LEU 25 HA LEU 25 90.623 -8.629 5.640 181 1HB LEU 25 2HB LEU 25 88.974 -8.379 8.177 182 2HB LEU 25 3HB LEU 25 90.233 -7.242 7.696 183 HG LEU 25 HG LEU 25 88.046 -7.883 5.745 184 1HD1 LEU 25 HD13 LEU 25 87.067 -7.306 8.062 185 2HD1 LEU 25 HD12 LEU 25 87.777 -5.708 7.828 186 3HD1 LEU 25 HD11 LEU 25 86.550 -6.299 6.707 187 1HD2 LEU 25 HD23 LEU 25 89.640 -5.388 6.418 188 2HD2 LEU 25 HD22 LEU 25 89.985 -6.491 5.084 189 3HD2 LEU 25 HD21 LEU 25 88.500 -5.542 5.087 190 H ARG 26 HN ARG 26 90.123 -11.304 7.649 191 HA ARG 26 HA ARG 26 92.595 -10.892 9.208 192 1HB ARG 26 2HB ARG 26 90.330 -12.877 9.268 193 2HB ARG 26 3HB ARG 26 91.864 -13.275 10.052 194 1HG ARG 26 2HG ARG 26 91.716 -11.388 11.509 195 2HG ARG 26 3HG ARG 26 90.400 -10.681 10.571 196 1HD ARG 26 2HD ARG 26 88.909 -12.509 11.226 197 2HD ARG 26 3HD ARG 26 90.230 -13.300 12.092 198 HE ARG 26 HE ARG 26 90.122 -10.800 13.254 199 1HH1 ARG 26 HH21 ARG 26 87.817 -13.276 12.556 200 2HH1 ARG 26 HH22 ARG 26 86.850 -12.948 13.955 201 1HH2 ARG 26 HH11 ARG 26 88.876 -10.364 15.075 202 2HH2 ARG 26 HH12 ARG 26 87.451 -11.300 15.384 203 H GLY 27 HN GLY 27 94.464 -11.431 8.242 204 1HA GLY 27 2HA GLY 27 95.934 -13.182 7.387 205 2HA GLY 27 3HA GLY 27 94.533 -13.923 6.612 206 H LYS 28 HN LYS 28 94.261 -10.640 6.199 207 HA LYS 28 HA LYS 28 95.376 -10.859 3.452 208 1HB LYS 28 2HB LYS 28 93.376 -8.944 4.675 209 2HB LYS 28 3HB LYS 28 94.029 -8.759 3.048 210 1HG LYS 28 2HG LYS 28 92.493 -11.160 4.083 211 2HG LYS 28 3HG LYS 28 91.879 -9.941 2.964 212 1HD LYS 28 2HD LYS 28 94.124 -10.650 1.643 213 2HD LYS 28 3HD LYS 28 93.791 -12.169 2.476 214 1HE LYS 28 2HE LYS 28 91.442 -12.070 1.611 215 2HE LYS 28 3HE LYS 28 91.888 -10.642 0.676 216 1HZ LYS 28 HZ3 LYS 28 93.740 -12.112 -0.244 217 2HZ LYS 28 HZ2 LYS 28 92.849 -13.421 0.376 218 3HZ LYS 28 HZ1 LYS 28 92.163 -12.400 -0.798 219 H ARG 29 HN ARG 29 96.994 -9.548 2.796 220 HA ARG 29 HA ARG 29 98.644 -8.246 4.768 221 1HB ARG 29 2HB ARG 29 98.680 -8.145 1.738 222 2HB ARG 29 3HB ARG 29 99.954 -7.499 2.775 223 1HG ARG 29 2HG ARG 29 100.294 -9.745 3.748 224 2HG ARG 29 3HG ARG 29 99.035 -10.389 2.691 225 1HD ARG 29 2HD ARG 29 101.514 -8.974 1.686 226 2HD ARG 29 3HD ARG 29 101.373 -10.729 1.824 227 HE ARG 29 HE ARG 29 99.171 -10.054 0.321 228 1HH1 ARG 29 HH21 ARG 29 102.542 -9.349 0.206 229 2HH1 ARG 29 HH22 ARG 29 102.601 -9.248 -1.522 230 1HH2 ARG 29 HH11 ARG 29 99.227 -9.926 -1.943 231 2HH2 ARG 29 HH12 ARG 29 100.725 -9.575 -2.738 232 H ASP 30 HN ASP 30 99.156 -5.937 4.832 233 HA ASP 30 HA ASP 30 96.878 -4.242 4.878 234 1HB ASP 30 2HB ASP 30 98.955 -3.722 6.116 235 2HB ASP 30 3HB ASP 30 99.799 -3.450 4.589 236 H GLY 31 HN GLY 31 96.034 -2.803 3.372 237 1HA GLY 31 2HA GLY 31 96.274 -1.508 1.274 238 2HA GLY 31 3HA GLY 31 97.321 -2.797 0.668 239 H THR 32 HN THR 32 95.497 -4.887 1.811 240 HA THR 32 HA THR 32 93.699 -5.032 -0.493 241 HB THR 32 HB THR 32 93.911 -6.851 1.930 242 HG1 THR 32 HG1 THR 32 95.695 -7.445 1.019 243 1HG2 THR 32 HG21 THR 32 92.269 -6.820 -0.526 244 2HG2 THR 32 HG23 THR 32 93.045 -8.366 -0.179 245 3HG2 THR 32 HG22 THR 32 91.975 -7.628 1.013 246 H PHE 33 HN PHE 33 91.704 -4.079 -0.479 247 HA PHE 33 HA PHE 33 90.274 -3.989 2.127 248 1HB PHE 33 2HB PHE 33 90.167 -1.732 2.222 249 2HB PHE 33 3HB PHE 33 91.555 -1.775 1.140 250 HD1 PHE 33 HD1 PHE 33 91.241 -1.456 -1.316 251 HD2 PHE 33 HD2 PHE 33 87.984 -1.145 1.461 252 HE1 PHE 33 HE1 PHE 33 89.845 -0.357 -3.057 253 HE2 PHE 33 HE2 PHE 33 86.611 -0.051 -0.285 254 HZ PHE 33 HZ PHE 33 87.534 0.333 -2.526 255 H LEU 34 HN LEU 34 87.941 -3.059 1.692 256 HA LEU 34 HA LEU 34 86.899 -3.790 -0.972 257 1HB LEU 34 2HB LEU 34 85.242 -5.372 -0.057 258 2HB LEU 34 3HB LEU 34 86.888 -5.933 0.226 259 HG LEU 34 HG LEU 34 85.630 -4.245 2.341 260 1HD1 LEU 34 HD12 LEU 34 84.920 -7.140 1.779 261 2HD1 LEU 34 HD11 LEU 34 84.641 -6.349 3.331 262 3HD1 LEU 34 HD13 LEU 34 83.809 -5.773 1.885 263 1HD2 LEU 34 HD22 LEU 34 87.515 -6.611 2.207 264 2HD2 LEU 34 HD21 LEU 34 87.889 -4.959 2.702 265 3HD2 LEU 34 HD23 LEU 34 86.884 -5.979 3.726 266 H VAL 35 HN VAL 35 84.571 -3.186 -1.193 267 HA VAL 35 HA VAL 35 83.902 -0.923 0.640 268 HB VAL 35 HB VAL 35 83.154 -1.461 -2.256 269 1HG1 VAL 35 HG12 VAL 35 81.878 0.288 -0.180 270 2HG1 VAL 35 HG11 VAL 35 82.028 0.915 -1.823 271 3HG1 VAL 35 HG13 VAL 35 81.133 -0.578 -1.524 272 1HG2 VAL 35 HG23 VAL 35 84.648 0.717 -0.775 273 2HG2 VAL 35 HG22 VAL 35 85.287 -0.363 -2.010 274 3HG2 VAL 35 HG21 VAL 35 84.122 0.889 -2.443 275 H ARG 36 HN ARG 36 81.916 -0.933 1.683 276 HA ARG 36 HA ARG 36 79.850 -2.871 0.950 277 1HB ARG 36 2HB ARG 36 79.963 -3.722 3.474 278 2HB ARG 36 3HB ARG 36 80.902 -4.503 2.207 279 1HG ARG 36 2HG ARG 36 82.626 -4.174 3.674 280 2HG ARG 36 3HG ARG 36 82.662 -2.567 2.963 281 1HD ARG 36 2HD ARG 36 80.924 -1.942 4.765 282 2HD ARG 36 3HD ARG 36 81.415 -3.436 5.563 283 HE ARG 36 HE ARG 36 83.805 -2.118 5.016 284 1HH1 ARG 36 HH21 ARG 36 80.839 -1.414 6.624 285 2HH1 ARG 36 HH22 ARG 36 81.557 -0.313 7.751 286 1HH2 ARG 36 HH11 ARG 36 84.761 -0.685 6.471 287 2HH2 ARG 36 HH12 ARG 36 83.781 0.100 7.664 288 H GLU 37 HN GLU 37 78.491 -2.777 3.522 289 HA GLU 37 HA GLU 37 77.777 0.113 3.449 290 1HB GLU 37 2HB GLU 37 76.303 -2.243 4.674 291 2HB GLU 37 3HB GLU 37 75.690 -0.594 4.541 292 1HG GLU 37 2HG GLU 37 75.998 -0.783 2.037 293 2HG GLU 37 3HG GLU 37 76.348 -2.494 2.282 294 H SER 38 HN SER 38 76.994 0.895 5.739 295 HA SER 38 HA SER 38 79.274 0.573 7.541 296 1HB SER 38 2HB SER 38 76.658 2.089 7.714 297 2HB SER 38 3HB SER 38 77.823 2.064 9.037 298 HG SER 38 HG SER 38 77.917 3.317 6.572 299 H SER 39 HN SER 39 77.126 -1.444 6.682 300 HA SER 39 HA SER 39 76.535 -3.499 7.608 301 1HB SER 39 2HB SER 39 78.272 -2.975 9.432 302 2HB SER 39 3HB SER 39 76.929 -2.338 10.376 303 HG SER 39 HG SER 39 77.668 -4.853 10.087 304 H LYS 40 HN LYS 40 75.308 -2.444 10.567 305 HA LYS 40 HA LYS 40 72.584 -2.512 9.474 306 1HB LYS 40 2HB LYS 40 71.894 -2.574 11.823 307 2HB LYS 40 3HB LYS 40 73.190 -3.738 11.548 308 1HG LYS 40 2HG LYS 40 74.840 -2.089 12.386 309 2HG LYS 40 3HG LYS 40 73.529 -0.953 12.706 310 1HD LYS 40 2HD LYS 40 73.224 -3.677 13.862 311 2HD LYS 40 3HD LYS 40 74.472 -2.654 14.578 312 1HE LYS 40 2HE LYS 40 72.818 -0.865 14.925 313 2HE LYS 40 3HE LYS 40 71.567 -1.869 14.192 314 1HZ LYS 40 HZ2 LYS 40 72.622 -3.492 16.081 315 2HZ LYS 40 HZ1 LYS 40 72.684 -1.974 16.839 316 3HZ LYS 40 HZ3 LYS 40 71.206 -2.573 16.263 317 H GLN 41 HN GLN 41 74.865 -0.067 10.125 318 HA GLN 41 HA GLN 41 73.031 1.978 11.055 319 1HB GLN 41 2HB GLN 41 75.485 2.153 11.370 320 2HB GLN 41 3HB GLN 41 75.679 2.330 9.627 321 1HG GLN 41 2HG GLN 41 75.654 4.552 10.587 322 2HG GLN 41 3HG GLN 41 74.124 4.315 9.738 323 1HE2 GLN 41 HE22 GLN 41 72.684 5.467 12.795 324 2HE2 GLN 41 HE21 GLN 41 73.090 5.911 11.208 325 H GLY 42 HN GLY 42 74.130 0.919 7.859 326 1HA GLY 42 2HA GLY 42 72.673 1.155 5.915 327 2HA GLY 42 3HA GLY 42 71.947 2.569 6.680 328 H CYS 43 HN CYS 43 74.941 3.264 7.385 329 HA CYS 43 HA CYS 43 75.286 5.004 5.061 330 1HB CYS 43 2HB CYS 43 77.004 4.581 7.524 331 2HB CYS 43 3HB CYS 43 77.289 5.822 6.305 332 HG CYS 43 HG CYS 43 74.901 6.825 6.944 333 H TYR 44 HN TYR 44 77.350 5.038 3.805 334 HA TYR 44 HA TYR 44 78.128 2.285 3.104 335 1HB TYR 44 2HB TYR 44 78.903 4.974 1.928 336 2HB TYR 44 3HB TYR 44 79.417 3.417 1.278 337 HD1 TYR 44 HD2 TYR 44 76.519 5.650 1.854 338 HD2 TYR 44 HD1 TYR 44 77.867 1.966 0.096 339 HE1 TYR 44 HE2 TYR 44 74.390 5.469 0.597 340 HE2 TYR 44 HE1 TYR 44 75.734 1.791 -1.164 341 HH TYR 44 HH TYR 44 73.287 2.727 -0.778 342 H ALA 45 HN ALA 45 80.392 1.579 3.089 343 HA ALA 45 HA ALA 45 82.369 3.240 4.486 344 1HB ALA 45 HB3 ALA 45 81.016 0.874 5.769 345 2HB ALA 45 HB2 ALA 45 82.666 1.302 6.209 346 3HB ALA 45 HB1 ALA 45 81.357 2.455 6.468 347 H CYS 46 HN CYS 46 84.499 2.347 4.316 348 HA CYS 46 HA CYS 46 84.683 0.006 2.461 349 1HB CYS 46 2HB CYS 46 86.639 2.305 2.825 350 2HB CYS 46 3HB CYS 46 86.856 0.942 1.724 351 HG CYS 46 HG CYS 46 85.759 2.928 0.385 352 H SER 47 HN SER 47 85.563 -1.780 3.398 353 HA SER 47 HA SER 47 86.902 -1.443 6.019 354 1HB SER 47 2HB SER 47 85.123 -3.156 5.839 355 2HB SER 47 3HB SER 47 86.037 -3.964 4.570 356 HG SER 47 HG SER 47 87.600 -3.500 6.712 357 H VAL 48 HN VAL 48 89.077 -1.658 6.237 358 HA VAL 48 HA VAL 48 90.542 -2.945 3.991 359 HB VAL 48 HB VAL 48 90.564 -0.419 3.846 360 1HG1 VAL 48 HG11 VAL 48 90.845 -0.407 6.487 361 2HG1 VAL 48 HG13 VAL 48 92.556 -0.419 6.057 362 3HG1 VAL 48 HG12 VAL 48 91.512 0.883 5.486 363 1HG2 VAL 48 HG23 VAL 48 92.499 -2.239 3.258 364 2HG2 VAL 48 HG22 VAL 48 92.632 -0.520 2.888 365 3HG2 VAL 48 HG21 VAL 48 93.379 -1.167 4.347 366 H VAL 49 HN VAL 49 92.841 -3.361 4.614 367 HA VAL 49 HA VAL 49 93.016 -4.164 7.493 368 HB VAL 49 HB VAL 49 94.202 -5.439 5.026 369 1HG1 VAL 49 HG11 VAL 49 95.003 -5.544 7.849 370 2HG1 VAL 49 HG13 VAL 49 94.720 -7.129 7.133 371 3HG1 VAL 49 HG12 VAL 49 95.896 -6.033 6.406 372 1HG2 VAL 49 HG22 VAL 49 91.736 -5.778 6.204 373 2HG2 VAL 49 HG21 VAL 49 92.539 -6.972 5.188 374 3HG2 VAL 49 HG23 VAL 49 92.687 -7.061 6.944 375 H VAL 50 HN VAL 50 94.779 -3.359 8.621 376 HA VAL 50 HA VAL 50 96.751 -1.835 6.983 377 HB VAL 50 HB VAL 50 95.208 -1.096 9.303 378 1HG1 VAL 50 HG12 VAL 50 97.150 -1.903 10.609 379 2HG1 VAL 50 HG11 VAL 50 98.216 -0.882 9.643 380 3HG1 VAL 50 HG13 VAL 50 97.005 -0.148 10.694 381 1HG2 VAL 50 HG22 VAL 50 95.730 0.203 7.198 382 2HG2 VAL 50 HG21 VAL 50 95.935 1.110 8.695 383 3HG2 VAL 50 HG23 VAL 50 97.347 0.472 7.847 384 H ASP 51 HN ASP 51 98.938 -1.764 7.860 385 HA ASP 51 HA ASP 51 100.011 -4.349 8.359 386 1HB ASP 51 2HB ASP 51 101.113 -1.549 8.645 387 2HB ASP 51 3HB ASP 51 102.098 -2.980 8.964 388 H GLY 52 HN GLY 52 98.144 -4.347 10.296 389 1HA GLY 52 2HA GLY 52 99.441 -4.996 12.652 390 2HA GLY 52 3HA GLY 52 99.141 -3.267 12.804 391 H GLU 53 HN GLU 53 96.552 -3.275 11.408 392 HA GLU 53 HA GLU 53 94.905 -5.164 12.970 393 1HB GLU 53 2HB GLU 53 94.836 -2.177 13.460 394 2HB GLU 53 3HB GLU 53 93.563 -3.278 13.982 395 1HG GLU 53 2HG GLU 53 94.908 -3.192 15.885 396 2HG GLU 53 3HG GLU 53 95.546 -4.617 15.066 397 H VAL 54 HN VAL 54 92.596 -5.016 12.412 398 HA VAL 54 HA VAL 54 92.241 -4.218 9.580 399 HB VAL 54 HB VAL 54 90.453 -5.770 11.483 400 1HG1 VAL 54 HG12 VAL 54 90.194 -5.186 8.518 401 2HG1 VAL 54 HG11 VAL 54 89.166 -6.299 9.422 402 3HG1 VAL 54 HG13 VAL 54 89.142 -4.576 9.793 403 1HG2 VAL 54 HG22 VAL 54 92.614 -6.858 10.709 404 2HG2 VAL 54 HG21 VAL 54 91.146 -7.718 10.244 405 3HG2 VAL 54 HG23 VAL 54 92.001 -6.732 9.058 406 H LYS 55 HN LYS 55 90.858 -2.533 8.965 407 HA LYS 55 HA LYS 55 89.459 -1.121 11.207 408 1HB LYS 55 2HB LYS 55 90.941 0.050 8.844 409 2HB LYS 55 3HB LYS 55 89.894 0.992 9.906 410 1HG LYS 55 2HG LYS 55 91.838 1.309 11.069 411 2HG LYS 55 3HG LYS 55 91.418 -0.262 11.755 412 1HD LYS 55 2HD LYS 55 92.783 -1.386 10.041 413 2HD LYS 55 3HD LYS 55 93.201 0.183 9.346 414 1HE LYS 55 2HE LYS 55 94.553 -1.152 11.429 415 2HE LYS 55 3HE LYS 55 94.824 0.503 10.882 416 1HZ LYS 55 HZ3 LYS 55 92.797 -0.307 12.896 417 2HZ LYS 55 HZ2 LYS 55 94.313 0.365 13.262 418 3HZ LYS 55 HZ1 LYS 55 93.159 1.279 12.413 419 H HIS 56 HN HIS 56 87.698 0.360 10.376 420 HA HIS 56 HA HIS 56 86.331 -0.774 7.977 421 1HB HIS 56 2HB HIS 56 85.081 -0.083 10.653 422 2HB HIS 56 3HB HIS 56 84.169 -0.501 9.202 423 HD1 HIS 56 HD1 HIS 56 85.597 -2.873 8.098 424 HD2 HIS 56 HD2 HIS 56 85.057 -2.364 12.200 425 HE1 HIS 56 HE1 HIS 56 85.805 -5.173 9.137 426 H CYS 57 HN CYS 57 87.454 1.222 7.082 427 HA CYS 57 HA CYS 57 86.958 3.854 7.888 428 1HB CYS 57 2HB CYS 57 87.133 2.772 5.062 429 2HB CYS 57 3HB CYS 57 87.279 4.474 5.505 430 HG CYS 57 HG CYS 57 89.691 3.478 5.438 431 H VAL 58 HN VAL 58 85.317 5.368 7.423 432 HA VAL 58 HA VAL 58 82.747 4.107 6.594 433 HB VAL 58 HB VAL 58 83.420 6.184 8.650 434 1HG1 VAL 58 HG12 VAL 58 80.750 5.723 7.289 435 2HG1 VAL 58 HG11 VAL 58 80.927 6.566 8.827 436 3HG1 VAL 58 HG13 VAL 58 81.658 7.235 7.368 437 1HG2 VAL 58 HG22 VAL 58 82.976 3.509 8.812 438 2HG2 VAL 58 HG21 VAL 58 82.612 4.632 10.121 439 3HG2 VAL 58 HG23 VAL 58 81.332 4.111 9.025 440 H ILE 59 HN ILE 59 81.604 4.990 4.971 441 HA ILE 59 HA ILE 59 82.506 7.623 3.885 442 HB ILE 59 HB ILE 59 81.317 5.244 2.417 443 1HG1 ILE 59 HG12 ILE 59 84.063 6.539 2.297 444 2HG1 ILE 59 HG11 ILE 59 83.695 4.982 3.040 445 1HG2 ILE 59 HG22 ILE 59 81.081 7.951 1.792 446 2HG2 ILE 59 HG21 ILE 59 82.451 7.415 0.819 447 3HG2 ILE 59 HG23 ILE 59 80.889 6.610 0.666 448 1HD1 ILE 59 HD13 ILE 59 83.106 5.587 0.135 449 2HD1 ILE 59 HD12 ILE 59 84.619 4.863 0.674 450 3HD1 ILE 59 HD11 ILE 59 83.095 4.014 0.932 451 H ASN 60 HN ASN 60 80.840 9.155 3.567 452 HA ASN 60 HA ASN 60 78.080 8.159 4.173 453 1HB ASN 60 2HB ASN 60 79.394 10.705 5.161 454 2HB ASN 60 3HB ASN 60 77.668 10.372 5.298 455 1HD2 ASN 60 HD22 ASN 60 78.912 7.284 7.294 456 2HD2 ASN 60 HD21 ASN 60 78.476 7.370 5.656 457 H LYS 61 HN LYS 61 76.564 8.748 2.701 458 HA LYS 61 HA LYS 61 77.437 10.548 0.509 459 1HB LYS 61 2HB LYS 61 75.113 8.625 0.765 460 2HB LYS 61 3HB LYS 61 75.387 9.658 -0.637 461 1HG LYS 61 2HG LYS 61 77.675 8.648 -0.860 462 2HG LYS 61 3HG LYS 61 77.252 7.524 0.430 463 1HD LYS 61 2HD LYS 61 76.771 6.327 -1.555 464 2HD LYS 61 3HD LYS 61 75.199 6.924 -1.021 465 1HE LYS 61 2HE LYS 61 75.297 8.766 -2.599 466 2HE LYS 61 3HE LYS 61 76.956 8.355 -3.038 467 1HZ LYS 61 HZ2 LYS 61 75.879 6.065 -3.586 468 2HZ LYS 61 HZ1 LYS 61 74.451 6.980 -3.713 469 3HZ LYS 61 HZ3 LYS 61 75.782 7.343 -4.701 470 H THR 62 HN THR 62 76.805 12.619 0.553 471 HA THR 62 HA THR 62 74.066 13.310 1.353 472 HB THR 62 HB THR 62 75.574 13.365 3.446 473 HG1 THR 62 HG1 THR 62 73.541 14.440 3.186 474 1HG2 THR 62 HG22 THR 62 77.225 14.855 1.805 475 2HG2 THR 62 HG21 THR 62 76.424 16.078 2.793 476 3HG2 THR 62 HG23 THR 62 77.325 14.774 3.562 477 H ALA 63 HN ALA 63 73.874 15.847 1.102 478 HA ALA 63 HA ALA 63 74.475 16.516 -1.575 479 1HB ALA 63 HB1 ALA 63 72.860 17.670 0.109 480 2HB ALA 63 HB3 ALA 63 74.273 18.606 0.594 481 3HB ALA 63 HB2 ALA 63 73.689 18.689 -1.068 482 H THR 64 HN THR 64 76.503 16.522 1.226 483 HA THR 64 HA THR 64 78.796 17.296 -0.389 484 HB THR 64 HB THR 64 77.696 19.485 0.244 485 HG1 THR 64 HG1 THR 64 80.143 19.385 1.566 486 1HG2 THR 64 HG23 THR 64 77.355 18.325 2.684 487 2HG2 THR 64 HG22 THR 64 78.802 19.291 2.974 488 3HG2 THR 64 HG21 THR 64 77.322 20.066 2.407 489 H GLY 65 HN GLY 65 79.244 15.070 0.473 490 1HA GLY 65 2HA GLY 65 80.859 15.275 2.902 491 2HA GLY 65 3HA GLY 65 79.434 14.260 3.102 492 H TYR 66 HN TYR 66 79.203 12.499 1.366 493 HA TYR 66 HA TYR 66 80.101 10.561 0.392 494 1HB TYR 66 2HB TYR 66 82.252 12.565 -0.320 495 2HB TYR 66 3HB TYR 66 82.254 10.901 -0.898 496 HD1 TYR 66 HD1 TYR 66 80.343 10.069 -2.299 497 HD2 TYR 66 HD2 TYR 66 80.819 14.215 -1.283 498 HE1 TYR 66 HE1 TYR 66 78.791 10.694 -4.127 499 HE2 TYR 66 HE2 TYR 66 79.271 14.842 -3.118 500 HH TYR 66 HH TYR 66 78.547 13.078 -5.592 501 H GLY 67 HN GLY 67 81.499 12.111 2.997 502 1HA GLY 67 2HA GLY 67 82.367 10.269 4.628 503 2HA GLY 67 3HA GLY 67 83.566 9.990 3.361 504 H PHE 68 HN PHE 68 85.284 11.420 3.145 505 HA PHE 68 HA PHE 68 85.780 13.207 5.412 506 1HB PHE 68 2HB PHE 68 87.394 12.857 2.867 507 2HB PHE 68 3HB PHE 68 87.957 13.568 4.374 508 HD1 PHE 68 HD1 PHE 68 87.173 11.819 6.479 509 HD2 PHE 68 HD2 PHE 68 88.351 10.804 2.476 510 HE1 PHE 68 HE1 PHE 68 87.870 9.568 7.253 511 HE2 PHE 68 HE2 PHE 68 89.045 8.553 3.248 512 HZ PHE 68 HZ PHE 68 88.809 7.935 5.637 513 H ALA 69 HN ALA 69 85.385 15.426 5.379 514 HA ALA 69 HA ALA 69 84.876 16.671 2.697 515 1HB ALA 69 HB1 ALA 69 82.773 16.249 4.070 516 2HB ALA 69 HB3 ALA 69 83.402 17.407 5.243 517 3HB ALA 69 HB2 ALA 69 83.036 17.927 3.598 518 H GLU 70 HN GLU 70 86.545 16.808 5.699 519 HA GLU 70 HA GLU 70 86.921 19.642 5.888 520 1HB GLU 70 2HB GLU 70 87.477 18.033 7.727 521 2HB GLU 70 3HB GLU 70 88.865 17.492 6.789 522 1HG GLU 70 2HG GLU 70 89.623 19.159 8.371 523 2HG GLU 70 3HG GLU 70 89.697 19.851 6.751 524 HA PRO 71 HA PRO 71 90.635 18.982 3.006 525 1HB PRO 71 2HB PRO 71 90.953 16.600 1.753 526 2HB PRO 71 3HB PRO 71 91.525 16.875 3.409 527 1HG PRO 71 2HG PRO 71 89.238 15.300 2.450 528 2HG PRO 71 3HG PRO 71 90.160 15.160 3.954 529 1HD PRO 71 2HD PRO 71 87.610 16.430 3.575 530 2HD PRO 71 3HD PRO 71 88.559 16.328 5.068 531 H TYR 72 HN TYR 72 88.267 16.715 1.630 532 HA TYR 72 HA TYR 72 87.836 18.621 -0.635 533 1HB TYR 72 2HB TYR 72 87.833 15.582 -0.689 534 2HB TYR 72 3HB TYR 72 87.404 16.618 -2.050 535 HD1 TYR 72 HD2 TYR 72 89.212 18.487 -2.632 536 HD2 TYR 72 HD1 TYR 72 90.033 14.843 -0.510 537 HE1 TYR 72 HE2 TYR 72 91.606 18.660 -3.260 538 HE2 TYR 72 HE1 TYR 72 92.425 15.014 -1.140 539 HH TYR 72 HH TYR 72 93.554 16.985 -3.548 540 H ASN 73 HN ASN 73 85.871 19.502 -0.070 541 HA ASN 73 HA ASN 73 83.808 17.797 1.184 542 1HB ASN 73 2HB ASN 73 82.616 19.839 1.581 543 2HB ASN 73 3HB ASN 73 84.315 20.179 1.912 544 1HD2 ASN 73 HD22 ASN 73 83.463 22.981 -0.229 545 2HD2 ASN 73 HD21 ASN 73 83.378 22.495 1.395 546 H LEU 74 HN LEU 74 84.713 17.603 -1.726 547 HA LEU 74 HA LEU 74 82.006 17.335 -2.828 548 1HB LEU 74 2HB LEU 74 82.435 19.701 -3.284 549 2HB LEU 74 3HB LEU 74 83.972 19.299 -4.047 550 HG LEU 74 HG LEU 74 82.709 17.895 -5.706 551 1HD1 LEU 74 HD12 LEU 74 80.443 18.939 -4.047 552 2HD1 LEU 74 HD11 LEU 74 80.183 18.709 -5.778 553 3HD1 LEU 74 HD13 LEU 74 80.659 17.343 -4.770 554 1HD2 LEU 74 HD21 LEU 74 83.333 20.405 -5.976 555 2HD2 LEU 74 HD23 LEU 74 82.139 19.728 -7.085 556 3HD2 LEU 74 HD22 LEU 74 81.615 20.709 -5.718 557 H TYR 75 HN TYR 75 82.331 15.210 -3.398 558 HA TYR 75 HA TYR 75 84.804 14.455 -4.860 559 1HB TYR 75 2HB TYR 75 82.527 12.783 -3.750 560 2HB TYR 75 3HB TYR 75 83.959 12.128 -4.548 561 HD1 TYR 75 HD2 TYR 75 82.953 14.400 -1.749 562 HD2 TYR 75 HD1 TYR 75 85.887 11.670 -3.287 563 HE1 TYR 75 HE2 TYR 75 84.208 14.551 0.383 564 HE2 TYR 75 HE1 TYR 75 87.139 11.828 -1.155 565 HH TYR 75 HH TYR 75 87.260 13.780 0.770 566 H SER 76 HN SER 76 84.774 13.823 -7.027 567 HA SER 76 HA SER 76 82.630 14.760 -8.683 568 1HB SER 76 2HB SER 76 83.860 13.671 -10.521 569 2HB SER 76 3HB SER 76 84.952 14.579 -9.478 570 HG SER 76 HG SER 76 85.783 12.750 -8.739 571 H SER 77 HN SER 77 83.539 11.441 -7.687 572 HA SER 77 HA SER 77 80.776 10.578 -7.852 573 1HB SER 77 2HB SER 77 81.040 8.959 -9.678 574 2HB SER 77 3HB SER 77 81.338 10.593 -10.262 575 HG SER 77 HG SER 77 83.637 10.038 -9.699 576 H LEU 78 HN LEU 78 80.595 8.229 -7.258 577 HA LEU 78 HA LEU 78 82.399 7.575 -5.134 578 1HB LEU 78 2HB LEU 78 80.336 5.923 -6.605 579 2HB LEU 78 3HB LEU 78 81.228 5.331 -5.203 580 HG LEU 78 HG LEU 78 79.627 7.902 -5.185 581 1HD1 LEU 78 HD12 LEU 78 78.856 5.090 -4.351 582 2HD1 LEU 78 HD11 LEU 78 77.972 6.533 -3.857 583 3HD1 LEU 78 HD13 LEU 78 78.065 6.096 -5.563 584 1HD2 LEU 78 HD22 LEU 78 81.390 6.482 -3.317 585 2HD2 LEU 78 HD21 LEU 78 80.818 8.149 -3.270 586 3HD2 LEU 78 HD23 LEU 78 79.812 6.852 -2.623 587 H LYS 79 HN LYS 79 82.230 6.477 -8.519 588 HA LYS 79 HA LYS 79 84.133 4.366 -8.336 589 1HB LYS 79 2HB LYS 79 82.734 4.821 -10.340 590 2HB LYS 79 3HB LYS 79 83.679 6.276 -10.654 591 1HG LYS 79 2HG LYS 79 85.705 4.934 -10.948 592 2HG LYS 79 3HG LYS 79 84.819 3.465 -10.536 593 1HD LYS 79 2HD LYS 79 84.189 5.269 -12.894 594 2HD LYS 79 3HD LYS 79 85.064 3.741 -12.998 595 1HE LYS 79 2HE LYS 79 82.909 3.020 -13.462 596 2HE LYS 79 3HE LYS 79 82.942 2.817 -11.710 597 1HZ LYS 79 HZ2 LYS 79 82.221 5.391 -11.974 598 2HZ LYS 79 HZ1 LYS 79 81.453 4.688 -13.316 599 3HZ LYS 79 HZ3 LYS 79 81.133 4.102 -11.758 600 H GLU 80 HN GLU 80 84.597 7.841 -8.981 601 HA GLU 80 HA GLU 80 87.462 7.680 -9.209 602 1HB GLU 80 2HB GLU 80 85.656 10.002 -8.468 603 2HB GLU 80 3HB GLU 80 87.378 10.149 -8.830 604 1HG GLU 80 2HG GLU 80 86.950 9.111 -11.062 605 2HG GLU 80 3HG GLU 80 85.224 9.118 -10.699 606 H LEU 81 HN LEU 81 85.248 7.933 -6.510 607 HA LEU 81 HA LEU 81 87.028 8.859 -4.510 608 1HB LEU 81 2HB LEU 81 84.571 8.595 -4.228 609 2HB LEU 81 3HB LEU 81 84.780 6.847 -4.205 610 HG LEU 81 HG LEU 81 86.358 8.569 -2.308 611 1HD1 LEU 81 HD12 LEU 81 83.431 8.013 -2.258 612 2HD1 LEU 81 HD11 LEU 81 84.302 7.831 -0.734 613 3HD1 LEU 81 HD13 LEU 81 84.331 9.375 -1.587 614 1HD2 LEU 81 HD22 LEU 81 85.514 5.703 -2.539 615 2HD2 LEU 81 HD21 LEU 81 87.073 6.380 -2.071 616 3HD2 LEU 81 HD23 LEU 81 85.734 6.376 -0.926 617 H VAL 82 HN VAL 82 86.411 5.502 -5.632 618 HA VAL 82 HA VAL 82 88.191 4.296 -3.724 619 HB VAL 82 HB VAL 82 87.413 3.291 -6.478 620 1HG1 VAL 82 HG11 VAL 82 88.500 1.865 -4.034 621 2HG1 VAL 82 HG13 VAL 82 87.972 1.079 -5.523 622 3HG1 VAL 82 HG12 VAL 82 89.375 2.148 -5.539 623 1HG2 VAL 82 HG21 VAL 82 85.949 3.586 -3.978 624 2HG2 VAL 82 HG23 VAL 82 85.353 3.103 -5.566 625 3HG2 VAL 82 HG22 VAL 82 86.035 1.898 -4.476 626 H LEU 83 HN LEU 83 88.693 5.388 -7.095 627 HA LEU 83 HA LEU 83 91.457 4.581 -7.216 628 1HB LEU 83 2HB LEU 83 89.815 6.592 -8.770 629 2HB LEU 83 3HB LEU 83 91.534 6.378 -9.075 630 HG LEU 83 HG LEU 83 90.327 5.007 -10.649 631 1HD1 LEU 83 HD11 LEU 83 92.348 4.073 -9.230 632 2HD1 LEU 83 HD13 LEU 83 91.126 2.964 -8.613 633 3HD1 LEU 83 HD12 LEU 83 91.473 3.021 -10.341 634 1HD2 LEU 83 HD21 LEU 83 88.942 3.795 -8.237 635 2HD2 LEU 83 HD23 LEU 83 88.197 4.861 -9.425 636 3HD2 LEU 83 HD22 LEU 83 88.749 3.257 -9.904 637 H HIS 84 HN HIS 84 89.871 7.636 -6.373 638 HA HIS 84 HA HIS 84 92.197 9.232 -6.067 639 1HB HIS 84 2HB HIS 84 89.804 10.027 -6.080 640 2HB HIS 84 3HB HIS 84 89.652 9.419 -4.431 641 HD1 HIS 84 HD1 HIS 84 91.516 12.010 -6.464 642 HD2 HIS 84 HD2 HIS 84 90.815 11.052 -2.468 643 HE1 HIS 84 HE1 HIS 84 92.434 13.933 -5.094 644 H TYR 85 HN TYR 85 90.557 7.107 -3.749 645 HA TYR 85 HA TYR 85 92.165 7.876 -1.490 646 1HB TYR 85 2HB TYR 85 90.309 5.592 -2.090 647 2HB TYR 85 3HB TYR 85 91.254 5.603 -0.603 648 HD1 TYR 85 HD2 TYR 85 90.294 8.822 -2.054 649 HD2 TYR 85 HD1 TYR 85 89.124 5.734 0.693 650 HE1 TYR 85 HE2 TYR 85 88.676 10.359 -1.013 651 HE2 TYR 85 HE1 TYR 85 87.493 7.282 1.735 652 HH TYR 85 HH TYR 85 86.529 10.165 0.308 653 H GLN 86 HN GLN 86 92.731 5.509 -4.040 654 HA GLN 86 HA GLN 86 94.541 3.837 -2.605 655 1HB GLN 86 2HB GLN 86 95.226 2.987 -4.684 656 2HB GLN 86 3HB GLN 86 93.588 3.552 -5.010 657 1HG GLN 86 2HG GLN 86 94.676 5.768 -5.714 658 2HG GLN 86 3HG GLN 86 96.199 4.885 -5.718 659 1HE2 GLN 86 HE22 GLN 86 95.566 3.730 -8.967 660 2HE2 GLN 86 HE21 GLN 86 96.678 4.357 -7.848 661 H HIS 87 HN HIS 87 95.032 7.023 -4.070 662 HA HIS 87 HA HIS 87 97.943 6.809 -3.559 663 1HB HIS 87 2HB HIS 87 98.204 8.818 -4.782 664 2HB HIS 87 3HB HIS 87 96.921 7.961 -5.635 665 HD1 HIS 87 HD1 HIS 87 94.476 8.851 -5.323 666 HD2 HIS 87 HD2 HIS 87 97.390 11.190 -3.477 667 HE1 HIS 87 HE1 HIS 87 93.365 11.042 -4.720 668 H THR 88 HN THR 88 95.199 7.608 -1.828 669 HA THR 88 HA THR 88 96.546 9.696 -0.210 670 HB THR 88 HB THR 88 94.362 9.986 0.817 671 HG1 THR 88 HG1 THR 88 93.185 8.293 0.936 672 1HG2 THR 88 HG22 THR 88 94.571 9.881 -2.153 673 2HG2 THR 88 HG21 THR 88 92.981 10.176 -1.443 674 3HG2 THR 88 HG23 THR 88 94.320 11.270 -1.093 675 H SER 89 HN SER 89 97.192 9.304 1.890 676 HA SER 89 HA SER 89 97.137 6.464 2.763 677 1HB SER 89 2HB SER 89 99.320 7.609 2.738 678 2HB SER 89 3HB SER 89 98.688 8.850 3.813 679 HG SER 89 HG SER 89 98.151 6.476 4.872 680 H LEU 90 HN LEU 90 95.729 5.851 4.362 681 HA LEU 90 HA LEU 90 93.925 7.761 5.545 682 1HB LEU 90 2HB LEU 90 94.544 4.889 6.289 683 2HB LEU 90 3HB LEU 90 93.246 5.841 7.010 684 HG LEU 90 HG LEU 90 93.506 5.450 4.028 685 1HD1 LEU 90 HD13 LEU 90 92.838 3.482 5.981 686 2HD1 LEU 90 HD12 LEU 90 91.344 3.951 5.172 687 3HD1 LEU 90 HD11 LEU 90 92.706 3.353 4.226 688 1HD2 LEU 90 HD23 LEU 90 91.830 7.012 5.762 689 2HD2 LEU 90 HD22 LEU 90 91.794 6.911 4.001 690 3HD2 LEU 90 HD21 LEU 90 90.839 5.788 4.968 691 H VAL 91 HN VAL 91 97.106 6.711 6.408 692 HA VAL 91 HA VAL 91 97.809 6.703 8.911 693 HB VAL 91 HB VAL 91 99.356 7.638 7.247 694 1HG1 VAL 91 HG11 VAL 91 97.478 9.242 6.385 695 2HG1 VAL 91 HG13 VAL 91 98.100 10.349 7.611 696 3HG1 VAL 91 HG12 VAL 91 99.156 9.779 6.319 697 1HG2 VAL 91 HG23 VAL 91 99.851 7.983 9.651 698 2HG2 VAL 91 HG22 VAL 91 100.475 9.301 8.667 699 3HG2 VAL 91 HG21 VAL 91 98.995 9.524 9.597 700 H GLN 92 HN GLN 92 96.451 9.828 7.768 701 HA GLN 92 HA GLN 92 96.145 11.276 10.046 702 1HB GLN 92 2HB GLN 92 95.184 11.830 7.768 703 2HB GLN 92 3HB GLN 92 93.799 10.822 8.188 704 1HG GLN 92 2HG GLN 92 93.195 13.070 8.774 705 2HG GLN 92 3HG GLN 92 93.556 12.241 10.289 706 1HE2 GLN 92 HE22 GLN 92 96.431 14.831 8.873 707 2HE2 GLN 92 HE21 GLN 92 95.526 13.921 7.763 708 H HIS 93 HN HIS 93 94.513 11.443 11.756 709 HA HIS 93 HA HIS 93 93.254 10.456 13.486 710 1HB HIS 93 2HB HIS 93 91.569 10.367 11.607 711 2HB HIS 93 3HB HIS 93 92.148 8.746 11.227 712 HD1 HIS 93 HD1 HIS 93 91.574 6.842 12.903 713 HD2 HIS 93 HD2 HIS 93 90.032 10.556 14.005 714 HE1 HIS 93 HE1 HIS 93 89.904 6.403 14.757 715 H ASN 94 HN ASN 94 94.603 9.266 14.811 716 HA ASN 94 HA ASN 94 95.900 7.449 15.541 717 1HB ASN 94 2HB ASN 94 93.924 6.037 13.723 718 2HB ASN 94 3HB ASN 94 95.137 5.173 14.667 719 1HD2 ASN 94 HD22 ASN 94 91.757 6.129 16.490 720 2HD2 ASN 94 HD21 ASN 94 91.950 5.984 14.810 721 H ASP 95 HN ASP 95 97.503 8.694 14.237 722 HA ASP 95 HA ASP 95 98.373 8.591 11.720 723 1HB ASP 95 2HB ASP 95 100.059 7.995 14.160 724 2HB ASP 95 3HB ASP 95 100.743 8.336 12.571 725 H SER 96 HN SER 96 97.987 5.708 13.623 726 HA SER 96 HA SER 96 99.727 4.105 11.939 727 1HB SER 96 2HB SER 96 98.877 2.199 13.191 728 2HB SER 96 3HB SER 96 99.187 3.514 14.323 729 HG SER 96 HG SER 96 97.137 2.596 14.678 730 H LEU 97 HN LEU 97 97.215 5.646 10.848 731 HA LEU 97 HA LEU 97 95.912 3.284 9.591 732 1HB LEU 97 2HB LEU 97 95.222 6.242 9.387 733 2HB LEU 97 3HB LEU 97 94.318 4.929 8.636 734 HG LEU 97 HG LEU 97 94.721 5.346 11.612 735 1HD1 LEU 97 HD11 LEU 97 92.977 6.683 10.079 736 2HD1 LEU 97 HD13 LEU 97 92.051 5.197 10.276 737 3HD1 LEU 97 HD12 LEU 97 92.543 6.121 11.694 738 1HD2 LEU 97 HD21 LEU 97 93.758 3.049 9.976 739 2HD2 LEU 97 HD23 LEU 97 94.556 3.050 11.547 740 3HD2 LEU 97 HD22 LEU 97 92.838 3.429 11.430 741 H ASN 98 HN ASN 98 98.620 3.721 9.007 742 HA ASN 98 HA ASN 98 98.878 5.273 6.554 743 1HB ASN 98 2HB ASN 98 100.690 3.342 8.007 744 2HB ASN 98 3HB ASN 98 101.157 4.134 6.501 745 1HD2 ASN 98 HD22 ASN 98 101.230 6.204 9.986 746 2HD2 ASN 98 HD21 ASN 98 100.751 4.577 9.934 747 H VAL 99 HN VAL 99 97.122 4.196 5.383 748 HA VAL 99 HA VAL 99 98.157 1.974 3.755 749 HB VAL 99 HB VAL 99 97.004 0.777 5.559 750 1HG1 VAL 99 HG12 VAL 99 94.757 2.669 4.839 751 2HG1 VAL 99 HG11 VAL 99 94.462 1.157 5.698 752 3HG1 VAL 99 HG13 VAL 99 95.481 2.399 6.425 753 1HG2 VAL 99 HG22 VAL 99 96.805 0.020 3.155 754 2HG2 VAL 99 HG21 VAL 99 95.487 -0.519 4.198 755 3HG2 VAL 99 HG23 VAL 99 95.242 0.836 3.096 756 H THR 100 HN THR 100 96.851 1.725 1.780 757 HA THR 100 HA THR 100 95.004 4.028 1.310 758 HB THR 100 HB THR 100 95.940 4.400 -0.878 759 HG1 THR 100 HG1 THR 100 97.029 1.929 -0.405 760 1HG2 THR 100 HG21 THR 100 97.492 4.634 1.527 761 2HG2 THR 100 HG23 THR 100 98.572 4.310 0.170 762 3HG2 THR 100 HG22 THR 100 97.479 5.692 0.117 763 H LEU 101 HN LEU 101 93.413 3.588 -0.422 764 HA LEU 101 HA LEU 101 92.580 0.763 -0.415 765 1HB LEU 101 2HB LEU 101 91.371 3.146 -1.861 766 2HB LEU 101 3HB LEU 101 90.593 1.586 -1.594 767 HG LEU 101 HG LEU 101 91.343 3.663 0.471 768 1HD1 LEU 101 HD12 LEU 101 89.140 3.828 -0.722 769 2HD1 LEU 101 HD11 LEU 101 88.733 2.230 -0.097 770 3HD1 LEU 101 HD13 LEU 101 88.980 3.575 1.016 771 1HD2 LEU 101 HD21 LEU 101 90.714 0.731 0.781 772 2HD2 LEU 101 HD23 LEU 101 92.033 1.651 1.505 773 3HD2 LEU 101 HD22 LEU 101 90.381 1.877 2.075 774 H ALA 102 HN ALA 102 94.815 0.404 -1.573 775 HA ALA 102 HA ALA 102 94.580 0.967 -4.471 776 1HB ALA 102 HB1 ALA 102 96.649 1.640 -3.330 777 2HB ALA 102 HB3 ALA 102 96.946 -0.039 -2.880 778 3HB ALA 102 HB2 ALA 102 96.966 0.437 -4.578 779 H TYR 103 HN TYR 103 94.631 -1.862 -2.304 780 HA TYR 103 HA TYR 103 94.685 -3.526 -4.783 781 1HB TYR 103 2HB TYR 103 96.455 -3.979 -3.112 782 2HB TYR 103 3HB TYR 103 95.211 -4.369 -1.926 783 HD1 TYR 103 HD2 TYR 103 96.231 -5.264 -5.425 784 HD2 TYR 103 HD1 TYR 103 94.533 -6.584 -1.716 785 HE1 TYR 103 HE2 TYR 103 96.126 -7.584 -6.297 786 HE2 TYR 103 HE1 TYR 103 94.430 -8.899 -2.578 787 HH TYR 103 HH TYR 103 96.046 -10.117 -4.763 788 HA PRO 104 HA PRO 104 90.326 -4.308 -3.938 789 1HB PRO 104 2HB PRO 104 89.897 -6.021 -6.002 790 2HB PRO 104 3HB PRO 104 90.077 -4.271 -6.231 791 1HG PRO 104 2HG PRO 104 92.053 -6.453 -6.658 792 2HG PRO 104 3HG PRO 104 91.735 -5.013 -7.639 793 1HD PRO 104 2HD PRO 104 93.830 -5.207 -5.884 794 2HD PRO 104 3HD PRO 104 93.070 -3.665 -6.330 795 H VAL 105 HN VAL 105 89.131 -5.971 -2.927 796 HA VAL 105 HA VAL 105 90.697 -8.242 -1.934 797 HB VAL 105 HB VAL 105 89.077 -6.897 -0.524 798 1HG1 VAL 105 HG11 VAL 105 87.125 -8.263 -2.370 799 2HG1 VAL 105 HG13 VAL 105 86.665 -7.867 -0.723 800 3HG1 VAL 105 HG12 VAL 105 87.157 -6.587 -1.835 801 1HG2 VAL 105 HG23 VAL 105 89.080 -9.882 -0.766 802 2HG2 VAL 105 HG22 VAL 105 89.703 -8.861 0.530 803 3HG2 VAL 105 HG21 VAL 105 87.967 -9.130 0.377 804 H TYR 106 HN TYR 106 88.089 -7.741 -4.283 805 HA TYR 106 HA TYR 106 88.346 -10.635 -4.962 806 1HB TYR 106 2HB TYR 106 85.847 -8.994 -4.644 807 2HB TYR 106 3HB TYR 106 85.866 -10.419 -5.683 808 HD1 TYR 106 HD1 TYR 106 87.077 -12.547 -4.549 809 HD2 TYR 106 HD2 TYR 106 85.218 -9.313 -2.423 810 HE1 TYR 106 HE1 TYR 106 86.802 -14.008 -2.565 811 HE2 TYR 106 HE2 TYR 106 84.949 -10.773 -0.437 812 HH TYR 106 HH TYR 106 86.257 -14.072 -0.392 813 H ALA 107 HN ALA 107 89.958 -9.175 -6.369 814 HA ALA 107 HA ALA 107 88.560 -8.191 -8.800 815 1HB ALA 107 HB1 ALA 107 91.459 -8.120 -7.921 816 2HB ALA 107 HB3 ALA 107 90.921 -7.572 -9.507 817 3HB ALA 107 HB2 ALA 107 90.348 -6.756 -8.052 818 H GLN 108 HN GLN 108 88.818 -9.177 -10.827 819 HA GLN 108 HA GLN 108 90.131 -11.869 -10.790 820 1HB GLN 108 2HB GLN 108 87.703 -10.904 -12.330 821 2HB GLN 108 3HB GLN 108 88.474 -12.473 -12.571 822 1HG GLN 108 2HG GLN 108 88.011 -13.119 -10.285 823 2HG GLN 108 3HG GLN 108 87.408 -11.507 -9.904 824 1HE2 GLN 108 HE22 GLN 108 84.174 -12.715 -10.635 825 2HE2 GLN 108 HE21 GLN 108 85.212 -12.035 -9.477 826 H GLN 109 HN GLN 109 91.137 -12.517 -12.835 827 HA GLN 109 HA GLN 109 92.519 -10.291 -14.124 828 1HB GLN 109 2HB GLN 109 93.596 -12.512 -13.647 829 2HB GLN 109 3HB GLN 109 92.544 -13.232 -14.863 830 1HG GLN 109 2HG GLN 109 94.660 -12.731 -15.923 831 2HG GLN 109 3HG GLN 109 93.466 -11.586 -16.533 832 1HE2 GLN 109 HE22 GLN 109 95.823 -9.071 -15.701 833 2HE2 GLN 109 HE21 GLN 109 95.018 -9.886 -16.954 834 H ARG 110 HN ARG 110 91.767 -9.233 -15.885 835 HA ARG 110 HA ARG 110 89.886 -10.688 -17.697 836 1HB ARG 110 2HB ARG 110 89.711 -7.806 -16.774 837 2HB ARG 110 3HB ARG 110 88.689 -8.532 -18.018 838 1HG ARG 110 2HG ARG 110 87.847 -10.167 -16.395 839 2HG ARG 110 3HG ARG 110 88.898 -9.494 -15.153 840 1HD ARG 110 2HD ARG 110 87.530 -7.740 -14.777 841 2HD ARG 110 3HD ARG 110 87.260 -7.461 -16.495 842 HE ARG 110 HE ARG 110 85.435 -8.719 -14.712 843 1HH1 ARG 110 HH21 ARG 110 86.927 -9.342 -17.770 844 2HH1 ARG 110 HH22 ARG 110 85.670 -10.410 -18.299 845 1HH2 ARG 110 HH11 ARG 110 83.808 -10.089 -15.393 846 2HH2 ARG 110 HH12 ARG 110 83.905 -10.833 -16.954 847 H ARG 111 HN ARG 111 89.746 -9.477 -19.867 848 HA ARG 111 HA ARG 111 90.858 -8.716 -21.784 849 1HB ARG 111 2HB ARG 111 91.175 -6.681 -20.286 850 2HB ARG 111 3HB ARG 111 92.759 -7.337 -19.868 851 1HG ARG 111 2HG ARG 111 93.238 -7.455 -22.360 852 2HG ARG 111 3HG ARG 111 91.766 -6.512 -22.599 853 1HD ARG 111 2HD ARG 111 93.144 -5.141 -20.596 854 2HD ARG 111 3HD ARG 111 94.408 -5.631 -21.723 855 HE ARG 111 HE ARG 111 92.772 -3.448 -22.182 856 1HH1 ARG 111 HH21 ARG 111 93.268 -6.505 -23.720 857 2HH1 ARG 111 HH22 ARG 111 92.757 -5.945 -25.275 858 1HH2 ARG 111 HH11 ARG 111 92.125 -2.716 -24.207 859 2HH2 ARG 111 HH12 ARG 111 92.115 -3.808 -25.552 No H/Q in entry = 859 Start of MODEL 11 1 1H GLU 1 HT1 GLU 1 98.452 -4.374 -15.079 2 2H GLU 1 HT3 GLU 1 98.300 -4.194 -16.761 3 3H GLU 1 HT2 GLU 1 99.843 -4.244 -16.052 4 HA GLU 1 HA GLU 1 99.443 -2.162 -14.922 5 1HB GLU 1 2HB GLU 1 98.902 -2.230 -17.898 6 2HB GLU 1 3HB GLU 1 99.166 -0.733 -17.011 7 1HG GLU 1 2HG GLU 1 101.352 -1.611 -16.220 8 2HG GLU 1 3HG GLU 1 101.099 -3.063 -17.189 9 H ASP 2 HN ASP 2 96.689 -3.453 -16.662 10 HA ASP 2 HA ASP 2 94.868 -1.311 -16.318 11 1HB ASP 2 2HB ASP 2 94.455 -3.336 -17.712 12 2HB ASP 2 3HB ASP 2 94.264 -4.282 -16.234 13 H LEU 3 HN LEU 3 93.595 -0.667 -14.570 14 HA LEU 3 HA LEU 3 94.307 -1.866 -11.963 15 1HB LEU 3 2HB LEU 3 92.805 0.665 -12.681 16 2HB LEU 3 3HB LEU 3 93.095 0.128 -11.027 17 HG LEU 3 HG LEU 3 95.257 0.680 -13.080 18 1HD1 LEU 3 HD13 LEU 3 93.890 2.351 -11.043 19 2HD1 LEU 3 HD12 LEU 3 95.649 2.470 -11.079 20 3HD1 LEU 3 HD11 LEU 3 94.711 2.832 -12.528 21 1HD2 LEU 3 HD21 LEU 3 95.202 -0.544 -10.387 22 2HD2 LEU 3 HD23 LEU 3 96.390 -0.714 -11.677 23 3HD2 LEU 3 HD22 LEU 3 96.437 0.694 -10.614 24 HA PRO 4 HA PRO 4 90.451 -4.126 -12.039 25 1HB PRO 4 2HB PRO 4 90.486 -4.999 -9.452 26 2HB PRO 4 3HB PRO 4 91.481 -5.709 -10.738 27 1HG PRO 4 2HG PRO 4 92.242 -3.756 -8.625 28 2HG PRO 4 3HG PRO 4 93.148 -5.137 -9.268 29 1HD PRO 4 2HD PRO 4 93.645 -2.556 -10.017 30 2HD PRO 4 3HD PRO 4 93.935 -3.944 -11.086 31 H HIS 5 HN HIS 5 91.004 -1.236 -10.447 32 HA HIS 5 HA HIS 5 88.682 -1.133 -8.743 33 1HB HIS 5 2HB HIS 5 90.642 0.829 -9.800 34 2HB HIS 5 3HB HIS 5 89.067 1.470 -9.328 35 HD1 HIS 5 HD1 HIS 5 92.177 -0.020 -7.930 36 HD2 HIS 5 HD2 HIS 5 88.391 1.042 -6.557 37 HE1 HIS 5 HE1 HIS 5 92.286 -0.097 -5.402 38 H HIS 6 HN HIS 6 89.159 -0.771 -12.167 39 HA HIS 6 HA HIS 6 86.843 0.749 -12.801 40 1HB HIS 6 2HB HIS 6 88.257 -1.462 -14.317 41 2HB HIS 6 3HB HIS 6 86.915 -0.544 -14.996 42 HD1 HIS 6 HD1 HIS 6 87.301 2.106 -15.191 43 HD2 HIS 6 HD2 HIS 6 90.723 -0.143 -14.434 44 HE1 HIS 6 HE1 HIS 6 89.273 3.598 -15.739 45 H ASP 7 HN ASP 7 87.276 -2.587 -11.840 46 HA ASP 7 HA ASP 7 84.464 -3.263 -12.397 47 1HB ASP 7 2HB ASP 7 86.784 -4.817 -11.220 48 2HB ASP 7 3HB ASP 7 85.156 -5.480 -11.377 49 H GLU 8 HN GLU 8 82.922 -2.802 -10.897 50 HA GLU 8 HA GLU 8 83.591 -1.721 -8.317 51 1HB GLU 8 2HB GLU 8 81.484 -1.334 -9.805 52 2HB GLU 8 3HB GLU 8 80.874 -2.801 -9.039 53 1HG GLU 8 2HG GLU 8 81.327 -1.756 -6.812 54 2HG GLU 8 3HG GLU 8 81.762 -0.267 -7.641 55 H LYS 9 HN LYS 9 82.604 -4.892 -9.458 56 HA LYS 9 HA LYS 9 82.078 -6.049 -6.893 57 1HB LYS 9 2HB LYS 9 82.258 -8.189 -8.099 58 2HB LYS 9 3HB LYS 9 81.332 -7.014 -9.037 59 1HG LYS 9 2HG LYS 9 83.994 -6.563 -9.778 60 2HG LYS 9 3HG LYS 9 83.840 -8.317 -9.717 61 1HD LYS 9 2HD LYS 9 83.177 -7.737 -11.917 62 2HD LYS 9 3HD LYS 9 81.661 -7.992 -11.052 63 1HE LYS 9 2HE LYS 9 81.355 -5.617 -10.742 64 2HE LYS 9 3HE LYS 9 82.967 -5.277 -11.377 65 1HZ LYS 9 HZ2 LYS 9 81.176 -6.813 -13.090 66 2HZ LYS 9 HZ1 LYS 9 80.791 -5.170 -12.866 67 3HZ LYS 9 HZ3 LYS 9 82.304 -5.607 -13.491 68 H THR 10 HN THR 10 85.074 -5.330 -8.529 69 HA THR 10 HA THR 10 86.738 -7.268 -7.222 70 HB THR 10 HB THR 10 88.578 -5.515 -7.670 71 HG1 THR 10 HG1 THR 10 87.993 -3.702 -8.583 72 1HG2 THR 10 HG23 THR 10 86.804 -6.595 -9.871 73 2HG2 THR 10 HG22 THR 10 88.398 -5.892 -10.153 74 3HG2 THR 10 HG21 THR 10 88.237 -7.357 -9.185 75 H TRP 11 HN TRP 11 85.584 -4.074 -6.214 76 HA TRP 11 HA TRP 11 86.939 -4.558 -3.597 77 1HB TRP 11 2HB TRP 11 86.312 -1.910 -3.531 78 2HB TRP 11 3HB TRP 11 87.863 -2.539 -4.080 79 HD1 TRP 11 HD1 TRP 11 87.908 -3.145 -6.826 80 HE1 TRP 11 HE1 TRP 11 86.967 -1.735 -8.765 81 HE3 TRP 11 HE3 TRP 11 84.612 -0.266 -4.232 82 HZ2 TRP 11 HZ2 TRP 11 85.050 0.424 -9.127 83 HZ3 TRP 11 HZ3 TRP 11 83.247 1.451 -5.376 84 HH2 TRP 11 HH2 TRP 11 83.456 1.789 -7.821 85 H ASN 12 HN ASN 12 83.924 -3.591 -5.177 86 HA ASN 12 HA ASN 12 82.573 -3.304 -2.576 87 1HB ASN 12 2HB ASN 12 82.068 -1.845 -4.582 88 2HB ASN 12 3HB ASN 12 81.316 -3.266 -5.313 89 1HD2 ASN 12 HD22 ASN 12 79.079 -1.102 -2.876 90 2HD2 ASN 12 HD21 ASN 12 80.439 -0.537 -3.722 91 H VAL 13 HN VAL 13 81.595 -4.916 -1.554 92 HA VAL 13 HA VAL 13 81.022 -7.431 -3.065 93 HB VAL 13 HB VAL 13 81.153 -8.556 -0.881 94 1HG1 VAL 13 HG11 VAL 13 83.241 -8.102 -2.218 95 2HG1 VAL 13 HG13 VAL 13 83.496 -6.661 -1.225 96 3HG1 VAL 13 HG12 VAL 13 83.525 -8.261 -0.483 97 1HG2 VAL 13 HG21 VAL 13 80.811 -5.839 0.056 98 2HG2 VAL 13 HG23 VAL 13 80.701 -7.345 0.966 99 3HG2 VAL 13 HG22 VAL 13 82.261 -6.543 0.768 100 H GLY 14 HN GLY 14 79.560 -4.754 -1.528 101 1HA GLY 14 2HA GLY 14 77.213 -4.284 -1.527 102 2HA GLY 14 3HA GLY 14 76.900 -5.983 -1.888 103 H SER 15 HN SER 15 75.278 -5.891 -0.163 104 HA SER 15 HA SER 15 75.921 -5.292 2.554 105 1HB SER 15 2HB SER 15 73.852 -7.195 1.410 106 2HB SER 15 3HB SER 15 73.922 -6.701 3.100 107 HG SER 15 HG SER 15 72.713 -5.119 2.385 108 H SER 16 HN SER 16 76.561 -6.707 4.254 109 HA SER 16 HA SER 16 77.100 -9.513 3.802 110 1HB SER 16 2HB SER 16 78.954 -8.614 2.484 111 2HB SER 16 3HB SER 16 79.438 -7.586 3.824 112 HG SER 16 HG SER 16 80.676 -9.486 3.790 113 H ASN 17 HN ASN 17 78.331 -10.421 5.746 114 HA ASN 17 HA ASN 17 77.363 -9.054 8.178 115 1HB ASN 17 2HB ASN 17 78.694 -11.749 7.747 116 2HB ASN 17 3HB ASN 17 78.082 -11.173 9.298 117 1HD2 ASN 17 HD22 ASN 17 75.423 -13.197 7.494 118 2HD2 ASN 17 HD21 ASN 17 77.041 -13.532 7.880 119 H ARG 18 HN ARG 18 78.724 -8.012 9.627 120 HA ARG 18 HA ARG 18 81.342 -7.253 8.822 121 1HB ARG 18 2HB ARG 18 79.931 -7.172 11.485 122 2HB ARG 18 3HB ARG 18 81.600 -6.621 11.308 123 1HG ARG 18 2HG ARG 18 80.923 -5.016 9.592 124 2HG ARG 18 3HG ARG 18 79.259 -5.598 9.671 125 1HD ARG 18 2HD ARG 18 79.066 -4.870 11.981 126 2HD ARG 18 3HD ARG 18 80.764 -4.417 12.029 127 HE ARG 18 HE ARG 18 78.580 -2.787 11.108 128 1HH1 ARG 18 HH21 ARG 18 81.795 -3.696 10.214 129 2HH1 ARG 18 HH22 ARG 18 82.019 -2.331 9.172 130 1HH2 ARG 18 HH11 ARG 18 78.867 -1.018 9.761 131 2HH2 ARG 18 HH12 ARG 18 80.364 -0.823 8.913 132 H ASN 19 HN ASN 19 80.255 -9.923 10.883 133 HA ASN 19 HA ASN 19 82.718 -10.664 12.012 134 1HB ASN 19 2HB ASN 19 80.387 -12.365 11.104 135 2HB ASN 19 3HB ASN 19 81.754 -13.011 12.011 136 1HD2 ASN 19 HD22 ASN 19 80.723 -10.385 14.649 137 2HD2 ASN 19 HD21 ASN 19 81.965 -10.316 13.492 138 H LYS 20 HN LYS 20 81.397 -11.766 8.836 139 HA LYS 20 HA LYS 20 83.780 -13.312 8.290 140 1HB LYS 20 2HB LYS 20 82.930 -13.635 6.081 141 2HB LYS 20 3HB LYS 20 81.537 -13.651 7.158 142 1HG LYS 20 2HG LYS 20 81.017 -11.349 6.591 143 2HG LYS 20 3HG LYS 20 82.484 -11.224 5.617 144 1HD LYS 20 2HD LYS 20 80.527 -11.635 4.181 145 2HD LYS 20 3HD LYS 20 81.636 -12.998 4.118 146 1HE LYS 20 2HE LYS 20 80.225 -14.371 5.375 147 2HE LYS 20 3HE LYS 20 79.398 -13.006 6.120 148 1HZ LYS 20 HZ1 LYS 20 79.101 -12.929 3.309 149 2HZ LYS 20 HZ3 LYS 20 78.595 -14.437 3.901 150 3HZ LYS 20 HZ2 LYS 20 77.901 -13.010 4.508 151 H ALA 21 HN ALA 21 82.931 -9.938 7.889 152 HA ALA 21 HA ALA 21 84.841 -9.198 5.918 153 1HB ALA 21 HB1 ALA 21 83.121 -7.828 7.701 154 2HB ALA 21 HB3 ALA 21 84.740 -7.199 8.003 155 3HB ALA 21 HB2 ALA 21 84.053 -7.135 6.379 156 H GLU 22 HN GLU 22 85.157 -9.564 9.443 157 HA GLU 22 HA GLU 22 87.889 -8.772 9.629 158 1HB GLU 22 2HB GLU 22 86.393 -9.170 11.595 159 2HB GLU 22 3HB GLU 22 86.445 -10.900 11.250 160 1HG GLU 22 2HG GLU 22 88.947 -10.797 11.455 161 2HG GLU 22 3HG GLU 22 88.784 -9.121 11.985 162 H ASN 23 HN ASN 23 86.342 -11.900 9.012 163 HA ASN 23 HA ASN 23 88.694 -13.483 8.792 164 1HB ASN 23 2HB ASN 23 85.998 -13.725 7.427 165 2HB ASN 23 3HB ASN 23 87.250 -14.965 7.362 166 1HD2 ASN 23 HD22 ASN 23 86.988 -15.359 11.073 167 2HD2 ASN 23 HD21 ASN 23 88.225 -14.905 10.005 168 H LEU 24 HN LEU 24 86.790 -11.744 6.315 169 HA LEU 24 HA LEU 24 88.543 -12.384 4.140 170 1HB LEU 24 2HB LEU 24 86.710 -9.991 4.539 171 2HB LEU 24 3HB LEU 24 87.475 -10.432 3.010 172 HG LEU 24 HG LEU 24 85.643 -12.266 4.577 173 1HD1 LEU 24 HD11 LEU 24 84.779 -10.023 3.372 174 2HD1 LEU 24 HD13 LEU 24 84.844 -11.081 1.964 175 3HD1 LEU 24 HD12 LEU 24 83.846 -11.518 3.351 176 1HD2 LEU 24 HD23 LEU 24 87.346 -12.539 2.191 177 2HD2 LEU 24 HD22 LEU 24 86.633 -13.787 3.213 178 3HD2 LEU 24 HD21 LEU 24 85.677 -13.049 1.929 179 H LEU 25 HN LEU 25 88.526 -9.788 6.545 180 HA LEU 25 HA LEU 25 90.824 -8.421 5.309 181 1HB LEU 25 2HB LEU 25 89.370 -8.095 7.937 182 2HB LEU 25 3HB LEU 25 90.732 -7.079 7.465 183 HG LEU 25 HG LEU 25 88.602 -7.336 5.420 184 1HD1 LEU 25 HD12 LEU 25 87.477 -7.120 7.801 185 2HD1 LEU 25 HD11 LEU 25 88.035 -5.453 7.685 186 3HD1 LEU 25 HD13 LEU 25 86.935 -6.100 6.473 187 1HD2 LEU 25 HD21 LEU 25 90.280 -5.120 6.617 188 2HD2 LEU 25 HD23 LEU 25 90.375 -5.803 4.993 189 3HD2 LEU 25 HD22 LEU 25 89.000 -4.798 5.447 190 H ARG 26 HN ARG 26 90.473 -11.218 7.113 191 HA ARG 26 HA ARG 26 92.968 -10.878 8.666 192 1HB ARG 26 2HB ARG 26 91.878 -12.253 10.071 193 2HB ARG 26 3HB ARG 26 90.590 -12.485 8.892 194 1HG ARG 26 2HG ARG 26 91.828 -14.304 7.834 195 2HG ARG 26 3HG ARG 26 93.213 -14.018 8.889 196 1HD ARG 26 2HD ARG 26 90.445 -14.826 9.841 197 2HD ARG 26 3HD ARG 26 91.818 -15.919 9.679 198 HE ARG 26 HE ARG 26 92.792 -13.922 11.314 199 1HH1 ARG 26 HH21 ARG 26 90.047 -16.008 11.261 200 2HH1 ARG 26 HH22 ARG 26 89.857 -16.023 12.980 201 1HH2 ARG 26 HH11 ARG 26 92.559 -13.930 13.565 202 2HH2 ARG 26 HH12 ARG 26 91.277 -14.846 14.289 203 H GLY 27 HN GLY 27 94.917 -11.683 8.016 204 1HA GLY 27 2HA GLY 27 96.424 -13.146 6.901 205 2HA GLY 27 3HA GLY 27 95.047 -13.910 6.111 206 H LYS 28 HN LYS 28 94.606 -10.648 5.782 207 HA LYS 28 HA LYS 28 95.711 -10.742 3.034 208 1HB LYS 28 2HB LYS 28 93.655 -8.916 4.308 209 2HB LYS 28 3HB LYS 28 94.243 -8.751 2.652 210 1HG LYS 28 2HG LYS 28 92.974 -11.272 3.752 211 2HG LYS 28 3HG LYS 28 92.106 -10.046 2.823 212 1HD LYS 28 2HD LYS 28 94.229 -10.439 1.193 213 2HD LYS 28 3HD LYS 28 94.103 -12.043 1.911 214 1HE LYS 28 2HE LYS 28 91.696 -12.107 1.296 215 2HE LYS 28 3HE LYS 28 91.872 -10.533 0.516 216 1HZ LYS 28 HZ3 LYS 28 93.900 -11.965 -0.548 217 2HZ LYS 28 HZ2 LYS 28 92.682 -13.140 -0.398 218 3HZ LYS 28 HZ1 LYS 28 92.391 -11.721 -1.287 219 H ARG 29 HN ARG 29 97.433 -9.570 2.518 220 HA ARG 29 HA ARG 29 98.963 -8.084 4.417 221 1HB ARG 29 2HB ARG 29 99.820 -9.144 2.288 222 2HB ARG 29 3HB ARG 29 99.045 -7.836 1.396 223 1HG ARG 29 2HG ARG 29 100.382 -6.188 2.666 224 2HG ARG 29 3HG ARG 29 101.189 -7.507 3.512 225 1HD ARG 29 2HD ARG 29 101.185 -7.174 0.501 226 2HD ARG 29 3HD ARG 29 102.493 -6.636 1.552 227 HE ARG 29 HE ARG 29 102.166 -9.313 2.207 228 1HH1 ARG 29 HH21 ARG 29 102.661 -7.460 -0.653 229 2HH1 ARG 29 HH22 ARG 29 103.518 -8.716 -1.485 230 1HH2 ARG 29 HH11 ARG 29 103.286 -10.974 1.134 231 2HH2 ARG 29 HH12 ARG 29 103.872 -10.703 -0.474 232 H ASP 30 HN ASP 30 99.177 -5.794 4.665 233 HA ASP 30 HA ASP 30 96.886 -4.202 4.578 234 1HB ASP 30 2HB ASP 30 98.350 -2.257 4.733 235 2HB ASP 30 3HB ASP 30 99.033 -3.562 5.699 236 H GLY 31 HN GLY 31 96.207 -2.507 3.054 237 1HA GLY 31 2HA GLY 31 96.319 -1.435 0.866 238 2HA GLY 31 3HA GLY 31 97.314 -2.776 0.300 239 H THR 32 HN THR 32 95.596 -4.855 1.445 240 HA THR 32 HA THR 32 93.720 -5.083 -0.742 241 HB THR 32 HB THR 32 93.872 -6.716 1.795 242 HG1 THR 32 HG1 THR 32 95.820 -6.865 0.771 243 1HG2 THR 32 HG22 THR 32 92.225 -6.803 -0.624 244 2HG2 THR 32 HG21 THR 32 93.043 -8.329 -0.283 245 3HG2 THR 32 HG23 THR 32 91.987 -7.605 0.930 246 H PHE 33 HN PHE 33 91.663 -4.175 -0.781 247 HA PHE 33 HA PHE 33 90.275 -3.929 1.815 248 1HB PHE 33 2HB PHE 33 90.214 -1.684 1.905 249 2HB PHE 33 3HB PHE 33 91.591 -1.737 0.813 250 HD1 PHE 33 HD2 PHE 33 87.959 -1.262 1.110 251 HD2 PHE 33 HD1 PHE 33 91.320 -1.180 -1.556 252 HE1 PHE 33 HE2 PHE 33 86.589 -0.106 -0.589 253 HE2 PHE 33 HE1 PHE 33 89.935 -0.001 -3.251 254 HZ PHE 33 HZ PHE 33 87.558 0.511 -2.754 255 H LEU 34 HN LEU 34 88.005 -3.062 1.451 256 HA LEU 34 HA LEU 34 86.872 -3.713 -1.207 257 1HB LEU 34 2HB LEU 34 85.255 -5.302 -0.266 258 2HB LEU 34 3HB LEU 34 86.896 -5.861 0.054 259 HG LEU 34 HG LEU 34 85.914 -4.095 2.167 260 1HD1 LEU 34 HD13 LEU 34 84.368 -6.597 1.463 261 2HD1 LEU 34 HD12 LEU 34 84.359 -5.896 3.081 262 3HD1 LEU 34 HD11 LEU 34 83.735 -4.970 1.716 263 1HD2 LEU 34 HD22 LEU 34 86.900 -6.964 2.095 264 2HD2 LEU 34 HD21 LEU 34 87.897 -5.533 2.363 265 3HD2 LEU 34 HD23 LEU 34 86.685 -6.001 3.557 266 H VAL 35 HN VAL 35 84.579 -2.982 -1.350 267 HA VAL 35 HA VAL 35 84.080 -0.755 0.562 268 HB VAL 35 HB VAL 35 83.158 -1.282 -2.266 269 1HG1 VAL 35 HG12 VAL 35 81.949 0.538 -0.177 270 2HG1 VAL 35 HG11 VAL 35 81.767 0.849 -1.906 271 3HG1 VAL 35 HG13 VAL 35 81.123 -0.635 -1.202 272 1HG2 VAL 35 HG23 VAL 35 84.626 0.914 -0.810 273 2HG2 VAL 35 HG22 VAL 35 85.175 -0.040 -2.187 274 3HG2 VAL 35 HG21 VAL 35 83.909 1.171 -2.399 275 H ARG 36 HN ARG 36 82.221 -0.777 1.805 276 HA ARG 36 HA ARG 36 80.170 -2.846 1.305 277 1HB ARG 36 2HB ARG 36 81.730 -4.079 2.669 278 2HB ARG 36 3HB ARG 36 81.905 -2.721 3.786 279 1HG ARG 36 2HG ARG 36 79.696 -2.967 4.602 280 2HG ARG 36 3HG ARG 36 79.237 -4.034 3.277 281 1HD ARG 36 2HD ARG 36 81.208 -4.658 5.489 282 2HD ARG 36 3HD ARG 36 79.601 -5.363 5.291 283 HE ARG 36 HE ARG 36 80.905 -5.931 2.902 284 1HH1 ARG 36 HH21 ARG 36 81.393 -6.425 6.269 285 2HH1 ARG 36 HH22 ARG 36 82.351 -7.850 6.067 286 1HH2 ARG 36 HH11 ARG 36 82.139 -7.805 2.602 287 2HH2 ARG 36 HH12 ARG 36 82.773 -8.639 3.981 288 H GLU 37 HN GLU 37 78.232 -2.468 2.724 289 HA GLU 37 HA GLU 37 78.115 0.403 3.470 290 1HB GLU 37 2HB GLU 37 75.619 0.058 3.435 291 2HB GLU 37 3HB GLU 37 76.386 -0.248 1.874 292 1HG GLU 37 2HG GLU 37 76.131 -2.543 3.759 293 2HG GLU 37 3HG GLU 37 74.659 -1.967 2.972 294 H SER 38 HN SER 38 76.479 0.761 5.359 295 HA SER 38 HA SER 38 77.561 -0.700 7.658 296 1HB SER 38 2HB SER 38 76.198 0.761 8.984 297 2HB SER 38 3HB SER 38 76.773 1.751 7.645 298 HG SER 38 HG SER 38 74.787 1.333 6.597 299 H SER 39 HN SER 39 75.655 -1.407 5.262 300 HA SER 39 HA SER 39 74.453 -3.389 4.922 301 1HB SER 39 2HB SER 39 73.638 -3.408 7.828 302 2HB SER 39 3HB SER 39 73.720 -4.757 6.704 303 HG SER 39 HG SER 39 75.683 -3.588 8.234 304 H LYS 40 HN LYS 40 73.436 -0.527 6.553 305 HA LYS 40 HA LYS 40 70.577 -1.033 5.976 306 1HB LYS 40 2HB LYS 40 71.954 1.416 7.135 307 2HB LYS 40 3HB LYS 40 70.208 1.155 7.057 308 1HG LYS 40 2HG LYS 40 72.000 -0.851 8.411 309 2HG LYS 40 3HG LYS 40 71.433 0.578 9.277 310 1HD LYS 40 2HD LYS 40 69.130 -0.035 8.931 311 2HD LYS 40 3HD LYS 40 69.583 -1.349 7.849 312 1HE LYS 40 2HE LYS 40 70.745 -2.484 9.694 313 2HE LYS 40 3HE LYS 40 70.299 -1.170 10.784 314 1HZ LYS 40 HZ1 LYS 40 68.056 -2.209 9.354 315 2HZ LYS 40 HZ3 LYS 40 68.828 -3.407 10.273 316 3HZ LYS 40 HZ2 LYS 40 68.266 -1.990 11.025 317 H GLN 41 HN GLN 41 69.805 -0.560 3.983 318 HA GLN 41 HA GLN 41 71.266 0.532 1.872 319 1HB GLN 41 2HB GLN 41 69.067 -0.594 1.619 320 2HB GLN 41 3HB GLN 41 68.276 0.817 2.317 321 1HG GLN 41 2HG GLN 41 69.162 2.217 0.476 322 2HG GLN 41 3HG GLN 41 69.924 0.790 -0.232 323 1HE2 GLN 41 HE22 GLN 41 66.966 0.183 -2.050 324 2HE2 GLN 41 HE21 GLN 41 68.655 0.353 -2.075 325 H GLY 42 HN GLY 42 71.891 2.566 1.309 326 1HA GLY 42 2HA GLY 42 71.478 4.967 1.175 327 2HA GLY 42 3HA GLY 42 70.606 4.860 2.703 328 H CYS 43 HN CYS 43 73.230 2.907 3.015 329 HA CYS 43 HA CYS 43 74.996 5.128 3.950 330 1HB CYS 43 2HB CYS 43 73.781 4.117 5.879 331 2HB CYS 43 3HB CYS 43 74.459 2.549 5.456 332 HG CYS 43 HG CYS 43 76.116 4.961 6.542 333 H TYR 44 HN TYR 44 77.189 4.777 3.531 334 HA TYR 44 HA TYR 44 77.890 2.127 2.348 335 1HB TYR 44 2HB TYR 44 78.716 4.867 1.372 336 2HB TYR 44 3HB TYR 44 79.462 3.370 0.820 337 HD1 TYR 44 HD1 TYR 44 77.488 1.471 0.301 338 HD2 TYR 44 HD2 TYR 44 77.154 5.737 -0.100 339 HE1 TYR 44 HE1 TYR 44 75.660 1.175 -1.350 340 HE2 TYR 44 HE2 TYR 44 75.326 5.438 -1.751 341 HH TYR 44 HH TYR 44 74.025 2.230 -2.490 342 H ALA 45 HN ALA 45 80.286 1.676 2.443 343 HA ALA 45 HA ALA 45 82.013 3.231 4.149 344 1HB ALA 45 HB3 ALA 45 80.683 0.784 5.359 345 2HB ALA 45 HB2 ALA 45 82.114 1.564 6.036 346 3HB ALA 45 HB1 ALA 45 80.587 2.444 5.951 347 H CYS 46 HN CYS 46 84.160 2.174 4.321 348 HA CYS 46 HA CYS 46 84.380 -0.278 2.647 349 1HB CYS 46 2HB CYS 46 86.292 0.649 1.452 350 2HB CYS 46 3HB CYS 46 84.970 1.813 1.346 351 HG CYS 46 HG CYS 46 87.585 2.224 2.915 352 H SER 47 HN SER 47 85.950 -1.709 3.317 353 HA SER 47 HA SER 47 87.363 -0.991 5.860 354 1HB SER 47 2HB SER 47 87.231 -3.380 6.434 355 2HB SER 47 3HB SER 47 85.619 -2.740 6.119 356 HG SER 47 HG SER 47 85.740 -4.566 4.934 357 H VAL 48 HN VAL 48 89.553 -1.380 5.953 358 HA VAL 48 HA VAL 48 90.762 -2.830 3.650 359 HB VAL 48 HB VAL 48 91.013 -0.375 3.315 360 1HG1 VAL 48 HG13 VAL 48 92.445 -0.552 5.965 361 2HG1 VAL 48 HG12 VAL 48 92.580 0.818 4.864 362 3HG1 VAL 48 HG11 VAL 48 91.022 0.411 5.578 363 1HG2 VAL 48 HG23 VAL 48 92.754 -2.127 2.639 364 2HG2 VAL 48 HG22 VAL 48 93.323 -0.460 2.756 365 3HG2 VAL 48 HG21 VAL 48 93.668 -1.602 4.054 366 H VAL 49 HN VAL 49 93.049 -3.440 4.164 367 HA VAL 49 HA VAL 49 93.225 -4.237 7.031 368 HB VAL 49 HB VAL 49 94.548 -5.360 4.559 369 1HG1 VAL 49 HG11 VAL 49 95.258 -5.525 7.416 370 2HG1 VAL 49 HG13 VAL 49 95.126 -7.087 6.611 371 3HG1 VAL 49 HG12 VAL 49 96.243 -5.869 5.993 372 1HG2 VAL 49 HG23 VAL 49 92.215 -6.040 6.218 373 2HG2 VAL 49 HG22 VAL 49 92.595 -6.521 4.565 374 3HG2 VAL 49 HG21 VAL 49 93.302 -7.397 5.918 375 H VAL 50 HN VAL 50 94.966 -3.517 8.240 376 HA VAL 50 HA VAL 50 96.923 -1.825 6.751 377 HB VAL 50 HB VAL 50 95.734 -1.476 9.518 378 1HG1 VAL 50 HG12 VAL 50 98.311 -0.507 8.349 379 2HG1 VAL 50 HG11 VAL 50 97.392 0.604 9.362 380 3HG1 VAL 50 HG13 VAL 50 97.935 -0.942 10.015 381 1HG2 VAL 50 HG21 VAL 50 95.967 0.327 7.086 382 2HG2 VAL 50 HG23 VAL 50 94.504 -0.502 7.604 383 3HG2 VAL 50 HG22 VAL 50 95.202 0.768 8.610 384 H ASP 51 HN ASP 51 99.084 -1.908 7.470 385 HA ASP 51 HA ASP 51 100.150 -4.440 8.004 386 1HB ASP 51 2HB ASP 51 101.420 -2.452 7.157 387 2HB ASP 51 3HB ASP 51 101.371 -1.781 8.788 388 H GLY 52 HN GLY 52 98.248 -2.807 10.105 389 1HA GLY 52 2HA GLY 52 99.552 -4.179 12.402 390 2HA GLY 52 3HA GLY 52 99.049 -2.502 12.566 391 H GLU 53 HN GLU 53 96.501 -2.922 11.035 392 HA GLU 53 HA GLU 53 95.090 -4.966 12.616 393 1HB GLU 53 2HB GLU 53 94.593 -2.013 13.084 394 2HB GLU 53 3HB GLU 53 93.546 -3.306 13.670 395 1HG GLU 53 2HG GLU 53 95.597 -4.272 14.836 396 2HG GLU 53 3HG GLU 53 96.417 -2.756 14.455 397 H VAL 54 HN VAL 54 92.753 -5.037 12.106 398 HA VAL 54 HA VAL 54 92.270 -4.565 9.263 399 HB VAL 54 HB VAL 54 90.503 -5.567 11.513 400 1HG1 VAL 54 HG12 VAL 54 89.906 -4.748 8.748 401 2HG1 VAL 54 HG11 VAL 54 89.341 -6.363 9.162 402 3HG1 VAL 54 HG13 VAL 54 88.814 -4.982 10.111 403 1HG2 VAL 54 HG23 VAL 54 92.239 -6.810 9.413 404 2HG2 VAL 54 HG22 VAL 54 92.011 -7.281 11.097 405 3HG2 VAL 54 HG21 VAL 54 90.771 -7.658 9.900 406 H LYS 55 HN LYS 55 91.068 -2.847 8.405 407 HA LYS 55 HA LYS 55 90.082 -0.874 10.426 408 1HB LYS 55 2HB LYS 55 90.981 -0.335 7.592 409 2HB LYS 55 3HB LYS 55 90.597 0.866 8.826 410 1HG LYS 55 2HG LYS 55 92.870 -1.132 8.884 411 2HG LYS 55 3HG LYS 55 93.007 0.618 8.726 412 1HD LYS 55 2HD LYS 55 91.745 0.741 10.956 413 2HD LYS 55 3HD LYS 55 92.112 -0.974 11.113 414 1HE LYS 55 2HE LYS 55 94.462 -0.591 11.101 415 2HE LYS 55 3HE LYS 55 94.259 1.076 10.566 416 1HZ LYS 55 HZ1 LYS 55 93.294 0.008 13.162 417 2HZ LYS 55 HZ3 LYS 55 94.736 0.877 12.959 418 3HZ LYS 55 HZ2 LYS 55 93.246 1.626 12.655 419 H HIS 56 HN HIS 56 88.149 0.223 10.031 420 HA HIS 56 HA HIS 56 86.415 -0.858 7.857 421 1HB HIS 56 2HB HIS 56 85.728 -0.503 10.785 422 2HB HIS 56 3HB HIS 56 84.502 -0.690 9.532 423 HD1 HIS 56 HD1 HIS 56 85.767 -2.880 7.801 424 HD2 HIS 56 HD2 HIS 56 85.715 -3.004 11.967 425 HE1 HIS 56 HE1 HIS 56 85.992 -5.321 8.450 426 H CYS 57 HN CYS 57 87.331 1.301 6.990 427 HA CYS 57 HA CYS 57 86.544 3.803 8.134 428 1HB CYS 57 2HB CYS 57 87.085 3.032 5.258 429 2HB CYS 57 3HB CYS 57 86.908 4.690 5.826 430 HG CYS 57 HG CYS 57 89.484 3.817 5.819 431 H VAL 58 HN VAL 58 84.716 5.043 7.850 432 HA VAL 58 HA VAL 58 82.367 3.644 6.662 433 HB VAL 58 HB VAL 58 82.385 4.369 9.117 434 1HG1 VAL 58 HG11 VAL 58 83.485 6.606 8.449 435 2HG1 VAL 58 HG13 VAL 58 81.871 7.106 7.945 436 3HG1 VAL 58 HG12 VAL 58 82.174 6.678 9.629 437 1HG2 VAL 58 HG21 VAL 58 80.346 4.095 7.386 438 2HG2 VAL 58 HG23 VAL 58 80.084 4.646 9.042 439 3HG2 VAL 58 HG22 VAL 58 80.166 5.817 7.727 440 H ILE 59 HN ILE 59 81.231 4.637 5.003 441 HA ILE 59 HA ILE 59 82.182 7.344 4.206 442 HB ILE 59 HB ILE 59 81.378 5.021 2.434 443 1HG1 ILE 59 HG12 ILE 59 84.032 6.475 2.599 444 2HG1 ILE 59 HG11 ILE 59 83.683 5.026 3.546 445 1HG2 ILE 59 HG21 ILE 59 81.315 7.858 1.979 446 2HG2 ILE 59 HG23 ILE 59 82.598 7.156 0.995 447 3HG2 ILE 59 HG22 ILE 59 80.945 6.557 0.846 448 1HD1 ILE 59 HD13 ILE 59 83.090 3.858 1.393 449 2HD1 ILE 59 HD12 ILE 59 83.684 5.279 0.527 450 3HD1 ILE 59 HD11 ILE 59 84.787 4.322 1.518 451 H ASN 60 HN ASN 60 80.550 8.853 3.812 452 HA ASN 60 HA ASN 60 77.764 7.856 4.216 453 1HB ASN 60 2HB ASN 60 78.970 10.625 4.469 454 2HB ASN 60 3HB ASN 60 77.248 10.284 4.634 455 1HD2 ASN 60 HD22 ASN 60 78.309 7.990 7.519 456 2HD2 ASN 60 HD21 ASN 60 77.829 7.612 5.935 457 H LYS 61 HN LYS 61 76.053 9.061 2.842 458 HA LYS 61 HA LYS 61 77.203 9.592 0.130 459 1HB LYS 61 2HB LYS 61 75.522 8.330 -0.891 460 2HB LYS 61 3HB LYS 61 75.837 7.398 0.573 461 1HG LYS 61 2HG LYS 61 73.958 8.636 1.694 462 2HG LYS 61 3HG LYS 61 73.587 9.384 0.141 463 1HD LYS 61 2HD LYS 61 73.791 6.655 -0.438 464 2HD LYS 61 3HD LYS 61 72.924 6.713 1.096 465 1HE LYS 61 2HE LYS 61 71.309 6.840 -0.721 466 2HE LYS 61 3HE LYS 61 71.364 8.402 0.097 467 1HZ LYS 61 HZ2 LYS 61 73.135 7.921 -2.195 468 2HZ LYS 61 HZ1 LYS 61 71.494 8.253 -2.479 469 3HZ LYS 61 HZ3 LYS 61 72.451 9.376 -1.642 470 H THR 62 HN THR 62 75.967 11.203 2.604 471 HA THR 62 HA THR 62 73.792 12.667 1.308 472 HB THR 62 HB THR 62 75.380 13.345 3.803 473 HG1 THR 62 HG1 THR 62 72.808 12.200 3.639 474 1HG2 THR 62 HG21 THR 62 72.972 14.513 2.462 475 2HG2 THR 62 HG23 THR 62 73.033 14.499 4.223 476 3HG2 THR 62 HG22 THR 62 74.289 15.329 3.305 477 H ALA 63 HN ALA 63 73.992 15.122 1.096 478 HA ALA 63 HA ALA 63 76.008 15.804 -0.765 479 1HB ALA 63 HB3 ALA 63 74.222 17.460 1.021 480 2HB ALA 63 HB2 ALA 63 75.384 18.223 -0.064 481 3HB ALA 63 HB1 ALA 63 74.099 17.209 -0.721 482 H THR 64 HN THR 64 75.815 16.595 2.717 483 HA THR 64 HA THR 64 78.647 17.463 2.654 484 HB THR 64 HB THR 64 76.652 17.436 4.938 485 HG1 THR 64 HG1 THR 64 75.976 19.195 4.057 486 1HG2 THR 64 HG23 THR 64 79.524 17.969 4.752 487 2HG2 THR 64 HG22 THR 64 78.620 19.301 5.476 488 3HG2 THR 64 HG21 THR 64 78.523 17.687 6.174 489 H GLY 65 HN GLY 65 77.032 14.607 2.903 490 1HA GLY 65 2HA GLY 65 78.489 13.413 5.130 491 2HA GLY 65 3HA GLY 65 77.470 12.551 3.978 492 H TYR 66 HN TYR 66 78.447 11.512 2.251 493 HA TYR 66 HA TYR 66 80.232 10.542 1.073 494 1HB TYR 66 2HB TYR 66 81.274 13.363 1.427 495 2HB TYR 66 3HB TYR 66 82.042 12.150 0.402 496 HD1 TYR 66 HD1 TYR 66 80.448 10.949 -1.330 497 HD2 TYR 66 HD2 TYR 66 79.637 14.751 0.502 498 HE1 TYR 66 HE1 TYR 66 78.885 11.505 -3.174 499 HE2 TYR 66 HE2 TYR 66 78.074 15.304 -1.345 500 HH TYR 66 HH TYR 66 78.035 13.911 -4.202 501 H GLY 67 HN GLY 67 82.589 9.916 1.336 502 1HA GLY 67 2HA GLY 67 83.126 9.248 4.078 503 2HA GLY 67 3HA GLY 67 84.268 9.059 2.747 504 H PHE 68 HN PHE 68 85.385 11.061 2.032 505 HA PHE 68 HA PHE 68 85.907 12.838 4.374 506 1HB PHE 68 2HB PHE 68 87.594 12.242 1.924 507 2HB PHE 68 3HB PHE 68 88.079 13.273 3.273 508 HD1 PHE 68 HD1 PHE 68 86.915 9.819 2.461 509 HD2 PHE 68 HD2 PHE 68 89.090 12.313 5.201 510 HE1 PHE 68 HE1 PHE 68 87.662 7.804 3.695 511 HE2 PHE 68 HE2 PHE 68 89.839 10.298 6.436 512 HZ PHE 68 HZ PHE 68 89.129 8.040 5.683 513 H ALA 69 HN ALA 69 84.956 14.817 4.214 514 HA ALA 69 HA ALA 69 84.373 15.907 1.487 515 1HB ALA 69 HB2 ALA 69 83.132 16.395 4.202 516 2HB ALA 69 HB1 ALA 69 82.811 17.438 2.815 517 3HB ALA 69 HB3 ALA 69 82.362 15.735 2.760 518 H GLU 70 HN GLU 70 85.339 17.086 4.751 519 HA GLU 70 HA GLU 70 86.781 18.850 5.321 520 1HB GLU 70 2HB GLU 70 87.849 17.581 2.984 521 2HB GLU 70 3HB GLU 70 88.122 19.312 2.846 522 1HG GLU 70 2HG GLU 70 90.010 18.561 4.040 523 2HG GLU 70 3HG GLU 70 88.944 19.135 5.322 524 HA PRO 71 HA PRO 71 85.083 22.736 4.090 525 1HB PRO 71 2HB PRO 71 87.602 23.682 2.827 526 2HB PRO 71 3HB PRO 71 86.643 24.418 4.123 527 1HG PRO 71 2HG PRO 71 88.981 23.166 4.567 528 2HG PRO 71 3HG PRO 71 87.666 23.205 5.752 529 1HD PRO 71 2HD PRO 71 88.619 20.952 4.082 530 2HD PRO 71 3HD PRO 71 87.753 20.919 5.633 531 H TYR 72 HN TYR 72 87.062 21.250 1.523 532 HA TYR 72 HA TYR 72 84.904 21.902 -0.386 533 1HB TYR 72 2HB TYR 72 86.333 23.023 -1.956 534 2HB TYR 72 3HB TYR 72 86.517 23.826 -0.397 535 HD1 TYR 72 HD1 TYR 72 88.101 21.510 -2.809 536 HD2 TYR 72 HD2 TYR 72 88.591 23.695 0.856 537 HE1 TYR 72 HE1 TYR 72 90.536 21.057 -2.864 538 HE2 TYR 72 HE2 TYR 72 91.027 23.248 0.798 539 HH TYR 72 HH TYR 72 92.754 22.718 -1.182 540 H ASN 73 HN ASN 73 86.830 19.563 0.802 541 HA ASN 73 HA ASN 73 87.390 18.368 -1.873 542 1HB ASN 73 2HB ASN 73 88.324 17.603 0.901 543 2HB ASN 73 3HB ASN 73 88.633 16.615 -0.522 544 1HD2 ASN 73 HD22 ASN 73 90.853 19.100 -1.988 545 2HD2 ASN 73 HD21 ASN 73 89.623 18.020 -2.443 546 H LEU 74 HN LEU 74 85.112 17.973 -2.256 547 HA LEU 74 HA LEU 74 84.022 15.665 -0.716 548 1HB LEU 74 2HB LEU 74 82.511 17.775 -2.294 549 2HB LEU 74 3HB LEU 74 81.789 16.450 -1.388 550 HG LEU 74 HG LEU 74 83.306 17.566 0.560 551 1HD1 LEU 74 HD11 LEU 74 83.904 19.353 -1.229 552 2HD1 LEU 74 HD13 LEU 74 82.271 19.955 -0.956 553 3HD1 LEU 74 HD12 LEU 74 83.425 19.914 0.376 554 1HD2 LEU 74 HD23 LEU 74 80.499 18.164 -0.382 555 2HD2 LEU 74 HD22 LEU 74 81.011 17.141 0.958 556 3HD2 LEU 74 HD21 LEU 74 81.138 18.896 1.088 557 H TYR 75 HN TYR 75 84.795 14.015 -2.028 558 HA TYR 75 HA TYR 75 85.060 14.001 -4.836 559 1HB TYR 75 2HB TYR 75 84.298 11.678 -3.043 560 2HB TYR 75 3HB TYR 75 84.979 11.549 -4.666 561 HD1 TYR 75 HD1 TYR 75 87.307 12.198 -5.119 562 HD2 TYR 75 HD2 TYR 75 85.664 12.374 -1.154 563 HE1 TYR 75 HE1 TYR 75 89.587 12.415 -4.181 564 HE2 TYR 75 HE2 TYR 75 87.946 12.587 -0.213 565 HH TYR 75 HH TYR 75 90.156 12.382 -0.687 566 H SER 76 HN SER 76 83.596 13.929 -6.473 567 HA SER 76 HA SER 76 80.780 14.194 -5.953 568 1HB SER 76 2HB SER 76 81.960 15.176 -7.915 569 2HB SER 76 3HB SER 76 82.146 13.553 -8.577 570 HG SER 76 HG SER 76 80.279 14.251 -9.446 571 H SER 77 HN SER 77 82.753 11.394 -6.984 572 HA SER 77 HA SER 77 80.283 9.739 -6.614 573 1HB SER 77 2HB SER 77 82.391 9.427 -8.769 574 2HB SER 77 3HB SER 77 81.091 8.278 -8.467 575 HG SER 77 HG SER 77 80.428 10.976 -8.768 576 H LEU 78 HN LEU 78 80.724 7.471 -6.026 577 HA LEU 78 HA LEU 78 82.749 7.232 -3.995 578 1HB LEU 78 2HB LEU 78 81.087 5.114 -5.396 579 2HB LEU 78 3HB LEU 78 82.099 4.812 -3.987 580 HG LEU 78 HG LEU 78 79.832 6.826 -4.080 581 1HD1 LEU 78 HD12 LEU 78 80.004 3.954 -3.249 582 2HD1 LEU 78 HD11 LEU 78 78.961 5.039 -2.327 583 3HD1 LEU 78 HD13 LEU 78 78.689 4.806 -4.056 584 1HD2 LEU 78 HD22 LEU 78 81.990 6.206 -2.174 585 2HD2 LEU 78 HD21 LEU 78 80.983 7.648 -2.303 586 3HD2 LEU 78 HD23 LEU 78 80.382 6.227 -1.447 587 H LYS 79 HN LYS 79 82.551 6.181 -7.381 588 HA LYS 79 HA LYS 79 84.834 4.522 -7.499 589 1HB LYS 79 2HB LYS 79 83.680 6.476 -9.512 590 2HB LYS 79 3HB LYS 79 85.031 5.408 -9.890 591 1HG LYS 79 2HG LYS 79 83.626 3.459 -9.241 592 2HG LYS 79 3HG LYS 79 82.267 4.554 -8.983 593 1HD LYS 79 2HD LYS 79 82.241 5.189 -11.307 594 2HD LYS 79 3HD LYS 79 83.767 4.357 -11.608 595 1HE LYS 79 2HE LYS 79 81.171 3.023 -10.772 596 2HE LYS 79 3HE LYS 79 81.861 2.997 -12.397 597 1HZ LYS 79 HZ3 LYS 79 83.936 2.141 -11.007 598 2HZ LYS 79 HZ2 LYS 79 82.695 1.578 -9.994 599 3HZ LYS 79 HZ1 LYS 79 82.757 1.090 -11.621 600 H GLU 80 HN GLU 80 84.572 8.081 -7.752 601 HA GLU 80 HA GLU 80 87.406 8.505 -8.097 602 1HB GLU 80 2HB GLU 80 85.175 10.329 -7.166 603 2HB GLU 80 3HB GLU 80 86.837 10.868 -7.414 604 1HG GLU 80 2HG GLU 80 86.744 10.106 -9.749 605 2HG GLU 80 3HG GLU 80 85.076 9.580 -9.509 606 H LEU 81 HN LEU 81 85.239 8.589 -5.275 607 HA LEU 81 HA LEU 81 87.151 9.473 -3.372 608 1HB LEU 81 2HB LEU 81 84.733 9.343 -2.908 609 2HB LEU 81 3HB LEU 81 84.806 7.584 -2.991 610 HG LEU 81 HG LEU 81 86.554 9.137 -1.086 611 1HD1 LEU 81 HD12 LEU 81 83.646 8.636 -0.959 612 2HD1 LEU 81 HD11 LEU 81 84.540 8.155 0.483 613 3HD1 LEU 81 HD13 LEU 81 84.620 9.819 -0.091 614 1HD2 LEU 81 HD21 LEU 81 85.928 6.314 -1.661 615 2HD2 LEU 81 HD23 LEU 81 87.325 7.013 -0.840 616 3HD2 LEU 81 HD22 LEU 81 85.834 6.725 0.049 617 H VAL 82 HN VAL 82 86.258 6.179 -4.381 618 HA VAL 82 HA VAL 82 88.062 4.810 -2.643 619 HB VAL 82 HB VAL 82 86.909 4.051 -5.340 620 1HG1 VAL 82 HG12 VAL 82 88.437 2.431 -3.292 621 2HG1 VAL 82 HG11 VAL 82 87.442 1.708 -4.558 622 3HG1 VAL 82 HG13 VAL 82 88.849 2.677 -4.989 623 1HG2 VAL 82 HG21 VAL 82 86.119 3.473 -2.468 624 2HG2 VAL 82 HG23 VAL 82 85.204 4.401 -3.652 625 3HG2 VAL 82 HG22 VAL 82 85.405 2.662 -3.861 626 H LEU 83 HN LEU 83 88.424 5.908 -6.026 627 HA LEU 83 HA LEU 83 91.069 4.935 -6.453 628 1HB LEU 83 2HB LEU 83 89.545 7.265 -7.635 629 2HB LEU 83 3HB LEU 83 91.146 6.786 -8.202 630 HG LEU 83 HG LEU 83 88.840 4.836 -8.043 631 1HD1 LEU 83 HD12 LEU 83 89.696 6.652 -10.313 632 2HD1 LEU 83 HD11 LEU 83 88.710 5.207 -10.549 633 3HD1 LEU 83 HD13 LEU 83 88.100 6.539 -9.570 634 1HD2 LEU 83 HD23 LEU 83 91.619 4.590 -8.546 635 2HD2 LEU 83 HD22 LEU 83 90.385 3.349 -8.762 636 3HD2 LEU 83 HD21 LEU 83 90.822 4.405 -10.110 637 H HIS 84 HN HIS 84 89.904 8.017 -5.139 638 HA HIS 84 HA HIS 84 92.313 9.440 -5.046 639 1HB HIS 84 2HB HIS 84 90.061 10.298 -4.356 640 2HB HIS 84 3HB HIS 84 90.221 9.382 -2.855 641 HD1 HIS 84 HD1 HIS 84 91.988 10.200 -1.125 642 HD2 HIS 84 HD2 HIS 84 91.736 12.601 -4.520 643 HE1 HIS 84 HE1 HIS 84 93.277 12.320 -0.602 644 H TYR 85 HN TYR 85 91.074 7.160 -2.568 645 HA TYR 85 HA TYR 85 93.442 7.422 -0.931 646 1HB TYR 85 2HB TYR 85 91.124 5.517 -0.970 647 2HB TYR 85 3HB TYR 85 92.510 5.225 0.079 648 HD1 TYR 85 HD2 TYR 85 93.392 7.525 1.244 649 HD2 TYR 85 HD1 TYR 85 89.353 6.674 0.025 650 HE1 TYR 85 HE2 TYR 85 92.554 9.207 2.848 651 HE2 TYR 85 HE1 TYR 85 88.514 8.358 1.646 652 HH TYR 85 HH TYR 85 90.712 10.506 3.341 653 H GLN 86 HN GLN 86 92.787 5.475 -3.745 654 HA GLN 86 HA GLN 86 94.578 3.314 -3.186 655 1HB GLN 86 2HB GLN 86 93.916 4.594 -5.864 656 2HB GLN 86 3HB GLN 86 94.695 3.028 -5.650 657 1HG GLN 86 2HG GLN 86 92.744 2.168 -4.505 658 2HG GLN 86 3HG GLN 86 91.968 3.739 -4.567 659 1HE2 GLN 86 HE22 GLN 86 92.542 2.223 -8.317 660 2HE2 GLN 86 HE21 GLN 86 93.862 2.416 -7.266 661 H HIS 87 HN HIS 87 95.128 6.560 -4.449 662 HA HIS 87 HA HIS 87 98.023 6.021 -4.766 663 1HB HIS 87 2HB HIS 87 96.749 7.359 -6.469 664 2HB HIS 87 3HB HIS 87 96.455 8.578 -5.234 665 HD1 HIS 87 HD1 HIS 87 98.464 10.037 -4.478 666 HD2 HIS 87 HD2 HIS 87 99.426 7.267 -7.443 667 HE1 HIS 87 HE1 HIS 87 100.751 10.691 -5.354 668 H THR 88 HN THR 88 95.772 7.895 -2.791 669 HA THR 88 HA THR 88 97.959 9.043 -1.198 670 HB THR 88 HB THR 88 95.927 9.999 0.068 671 HG1 THR 88 HG1 THR 88 94.430 9.559 -2.185 672 1HG2 THR 88 HG23 THR 88 97.338 11.130 -1.736 673 2HG2 THR 88 HG22 THR 88 96.065 10.681 -2.870 674 3HG2 THR 88 HG21 THR 88 95.705 11.764 -1.525 675 H SER 89 HN SER 89 98.480 8.413 0.863 676 HA SER 89 HA SER 89 97.550 5.778 1.734 677 1HB SER 89 2HB SER 89 99.897 6.314 2.016 678 2HB SER 89 3HB SER 89 99.499 7.771 2.922 679 HG SER 89 HG SER 89 98.338 5.499 3.921 680 H LEU 90 HN LEU 90 96.127 5.377 3.390 681 HA LEU 90 HA LEU 90 94.312 7.409 4.208 682 1HB LEU 90 2HB LEU 90 94.864 4.600 5.056 683 2HB LEU 90 3HB LEU 90 93.830 5.599 6.080 684 HG LEU 90 HG LEU 90 93.350 5.529 3.115 685 1HD1 LEU 90 HD11 LEU 90 92.712 3.395 5.139 686 2HD1 LEU 90 HD13 LEU 90 91.616 3.688 3.787 687 3HD1 LEU 90 HD12 LEU 90 93.286 3.213 3.480 688 1HD2 LEU 90 HD22 LEU 90 91.567 5.823 5.553 689 2HD2 LEU 90 HD21 LEU 90 92.140 7.147 4.537 690 3HD2 LEU 90 HD23 LEU 90 91.034 5.942 3.877 691 H VAL 91 HN VAL 91 97.143 6.047 5.928 692 HA VAL 91 HA VAL 91 98.088 6.709 8.017 693 HB VAL 91 HB VAL 91 97.503 9.314 6.592 694 1HG1 VAL 91 HG13 VAL 91 97.900 9.651 9.011 695 2HG1 VAL 91 HG12 VAL 91 99.410 8.747 8.871 696 3HG1 VAL 91 HG11 VAL 91 99.229 10.291 8.043 697 1HG2 VAL 91 HG21 VAL 91 99.248 7.255 5.910 698 2HG2 VAL 91 HG23 VAL 91 99.303 8.912 5.312 699 3HG2 VAL 91 HG22 VAL 91 100.275 8.447 6.707 700 H GLN 92 HN GLN 92 95.961 9.531 7.597 701 HA GLN 92 HA GLN 92 93.997 10.134 8.777 702 1HB GLN 92 2HB GLN 92 93.879 7.469 9.071 703 2HB GLN 92 3HB GLN 92 94.262 7.913 10.735 704 1HG GLN 92 2HG GLN 92 91.928 8.025 10.740 705 2HG GLN 92 3HG GLN 92 92.377 9.701 10.417 706 1HE2 GLN 92 HE22 GLN 92 90.842 7.453 7.331 707 2HE2 GLN 92 HE21 GLN 92 91.590 6.663 8.630 708 H HIS 93 HN HIS 93 93.485 10.768 11.151 709 HA HIS 93 HA HIS 93 95.690 12.244 12.211 710 1HB HIS 93 2HB HIS 93 93.045 11.434 13.455 711 2HB HIS 93 3HB HIS 93 94.207 12.486 14.258 712 HD1 HIS 93 HD1 HIS 93 91.626 12.448 11.593 713 HD2 HIS 93 HD2 HIS 93 94.624 15.025 12.910 714 HE1 HIS 93 HE1 HIS 93 91.173 14.687 10.500 715 H ASN 94 HN ASN 94 94.328 9.062 13.015 716 HA ASN 94 HA ASN 94 95.844 8.560 15.372 717 1HB ASN 94 2HB ASN 94 94.936 6.634 13.206 718 2HB ASN 94 3HB ASN 94 95.591 6.139 14.767 719 1HD2 ASN 94 HD22 ASN 94 91.739 6.608 14.689 720 2HD2 ASN 94 HD21 ASN 94 92.745 6.019 13.454 721 H ASP 95 HN ASP 95 96.729 8.898 12.100 722 HA ASP 95 HA ASP 95 98.789 8.805 11.010 723 1HB ASP 95 2HB ASP 95 99.716 8.789 13.893 724 2HB ASP 95 3HB ASP 95 100.820 8.882 12.524 725 H SER 96 HN SER 96 97.348 6.209 11.901 726 HA SER 96 HA SER 96 99.742 4.520 11.412 727 1HB SER 96 2HB SER 96 97.548 3.847 13.393 728 2HB SER 96 3HB SER 96 98.945 2.844 13.017 729 HG SER 96 HG SER 96 99.228 4.147 14.902 730 H LEU 97 HN LEU 97 97.101 5.486 9.984 731 HA LEU 97 HA LEU 97 96.300 2.775 9.014 732 1HB LEU 97 2HB LEU 97 94.932 5.471 8.685 733 2HB LEU 97 3HB LEU 97 94.379 3.978 7.931 734 HG LEU 97 HG LEU 97 94.677 3.208 10.551 735 1HD1 LEU 97 HD12 LEU 97 95.013 5.786 10.935 736 2HD1 LEU 97 HD11 LEU 97 93.265 5.851 10.734 737 3HD1 LEU 97 HD13 LEU 97 93.965 4.872 12.023 738 1HD2 LEU 97 HD22 LEU 97 92.778 2.770 8.993 739 2HD2 LEU 97 HD21 LEU 97 92.229 3.232 10.604 740 3HD2 LEU 97 HD23 LEU 97 92.190 4.406 9.286 741 H ASN 98 HN ASN 98 98.766 3.643 8.385 742 HA ASN 98 HA ASN 98 98.830 5.142 5.907 743 1HB ASN 98 2HB ASN 98 100.929 3.411 7.218 744 2HB ASN 98 3HB ASN 98 101.210 4.630 5.976 745 1HD2 ASN 98 HD22 ASN 98 101.350 5.812 9.734 746 2HD2 ASN 98 HD21 ASN 98 101.632 4.235 9.180 747 H VAL 99 HN VAL 99 97.124 3.537 5.052 748 HA VAL 99 HA VAL 99 98.566 1.411 3.541 749 HB VAL 99 HB VAL 99 97.254 0.330 5.303 750 1HG1 VAL 99 HG11 VAL 99 94.999 1.987 4.151 751 2HG1 VAL 99 HG13 VAL 99 94.751 0.645 5.272 752 3HG1 VAL 99 HG12 VAL 99 95.655 2.076 5.782 753 1HG2 VAL 99 HG22 VAL 99 97.325 -0.731 3.056 754 2HG2 VAL 99 HG21 VAL 99 95.823 -1.082 3.903 755 3HG2 VAL 99 HG23 VAL 99 95.845 0.127 2.625 756 H THR 100 HN THR 100 97.487 0.945 1.461 757 HA THR 100 HA THR 100 95.981 3.342 0.490 758 HB THR 100 HB THR 100 96.876 2.863 -1.710 759 HG1 THR 100 HG1 THR 100 97.877 1.008 -2.166 760 1HG2 THR 100 HG21 THR 100 98.372 3.922 0.137 761 2HG2 THR 100 HG23 THR 100 99.222 2.376 0.112 762 3HG2 THR 100 HG22 THR 100 99.142 3.364 -1.348 763 H LEU 101 HN LEU 101 94.175 2.938 -0.905 764 HA LEU 101 HA LEU 101 92.880 0.311 -0.401 765 1HB LEU 101 2HB LEU 101 91.836 2.834 -1.743 766 2HB LEU 101 3HB LEU 101 90.873 1.420 -1.341 767 HG LEU 101 HG LEU 101 92.335 3.158 0.654 768 1HD1 LEU 101 HD13 LEU 101 89.960 3.676 -0.697 769 2HD1 LEU 101 HD12 LEU 101 89.417 2.962 0.823 770 3HD1 LEU 101 HD11 LEU 101 90.443 4.395 0.838 771 1HD2 LEU 101 HD21 LEU 101 90.981 0.541 0.806 772 2HD2 LEU 101 HD23 LEU 101 92.176 1.250 1.890 773 3HD2 LEU 101 HD22 LEU 101 90.477 1.698 2.034 774 H ALA 102 HN ALA 102 95.198 0.695 -2.161 775 HA ALA 102 HA ALA 102 94.308 0.694 -4.923 776 1HB ALA 102 HB1 ALA 102 96.880 0.352 -3.465 777 2HB ALA 102 HB3 ALA 102 96.795 -0.249 -5.122 778 3HB ALA 102 HB2 ALA 102 96.466 1.451 -4.783 779 H TYR 103 HN TYR 103 94.242 -1.820 -2.598 780 HA TYR 103 HA TYR 103 94.286 -3.796 -4.848 781 1HB TYR 103 2HB TYR 103 95.191 -4.081 -1.983 782 2HB TYR 103 3HB TYR 103 94.938 -5.465 -3.045 783 HD1 TYR 103 HD1 TYR 103 96.202 -5.509 -5.280 784 HD2 TYR 103 HD2 TYR 103 97.193 -2.837 -2.070 785 HE1 TYR 103 HE1 TYR 103 98.451 -5.154 -6.269 786 HE2 TYR 103 HE2 TYR 103 99.439 -2.484 -3.051 787 HH TYR 103 HH TYR 103 100.833 -3.012 -4.694 788 HA PRO 104 HA PRO 104 89.946 -4.098 -3.432 789 1HB PRO 104 2HB PRO 104 89.764 -5.885 -5.768 790 2HB PRO 104 3HB PRO 104 88.814 -4.451 -5.366 791 1HG PRO 104 2HG PRO 104 90.641 -4.485 -7.335 792 2HG PRO 104 3HG PRO 104 90.261 -3.033 -6.400 793 1HD PRO 104 2HD PRO 104 92.656 -4.811 -6.221 794 2HD PRO 104 3HD PRO 104 92.521 -3.064 -5.922 795 H VAL 105 HN VAL 105 88.692 -6.010 -2.721 796 HA VAL 105 HA VAL 105 90.476 -8.123 -1.740 797 HB VAL 105 HB VAL 105 88.690 -7.054 -0.336 798 1HG1 VAL 105 HG12 VAL 105 86.883 -8.632 -2.190 799 2HG1 VAL 105 HG11 VAL 105 86.362 -7.864 -0.688 800 3HG1 VAL 105 HG13 VAL 105 86.941 -6.878 -2.032 801 1HG2 VAL 105 HG22 VAL 105 89.573 -9.661 -0.373 802 2HG2 VAL 105 HG21 VAL 105 88.606 -8.940 0.910 803 3HG2 VAL 105 HG23 VAL 105 87.819 -9.859 -0.372 804 H TYR 106 HN TYR 106 88.193 -7.690 -4.325 805 HA TYR 106 HA TYR 106 88.313 -10.616 -4.896 806 1HB TYR 106 2HB TYR 106 86.227 -8.542 -5.435 807 2HB TYR 106 3HB TYR 106 86.370 -9.917 -6.538 808 HD1 TYR 106 HD1 TYR 106 86.467 -12.274 -5.480 809 HD2 TYR 106 HD2 TYR 106 85.054 -8.796 -3.394 810 HE1 TYR 106 HE1 TYR 106 85.283 -13.727 -3.857 811 HE2 TYR 106 HE2 TYR 106 83.880 -10.250 -1.768 812 HH TYR 106 HH TYR 106 84.513 -13.343 -1.276 813 H ALA 107 HN ALA 107 90.448 -8.765 -5.542 814 HA ALA 107 HA ALA 107 90.341 -8.013 -8.321 815 1HB ALA 107 HB1 ALA 107 91.987 -7.179 -6.552 816 2HB ALA 107 HB3 ALA 107 92.835 -8.712 -6.754 817 3HB ALA 107 HB2 ALA 107 92.692 -7.597 -8.114 818 H GLN 108 HN GLN 108 91.337 -9.125 -10.128 819 HA GLN 108 HA GLN 108 91.046 -12.026 -9.999 820 1HB GLN 108 2HB GLN 108 92.066 -10.222 -12.213 821 2HB GLN 108 3HB GLN 108 91.749 -11.951 -12.387 822 1HG GLN 108 2HG GLN 108 89.732 -11.072 -13.130 823 2HG GLN 108 3HG GLN 108 89.378 -11.290 -11.414 824 1HE2 GLN 108 HE22 GLN 108 88.403 -7.866 -11.515 825 2HE2 GLN 108 HE21 GLN 108 87.853 -9.468 -11.414 826 H GLN 109 HN GLN 109 92.785 -13.511 -10.680 827 HA GLN 109 HA GLN 109 94.932 -14.413 -10.430 828 1HB GLN 109 2HB GLN 109 95.733 -11.522 -10.867 829 2HB GLN 109 3HB GLN 109 96.834 -12.898 -10.921 830 1HG GLN 109 2HG GLN 109 95.564 -13.863 -12.783 831 2HG GLN 109 3HG GLN 109 94.426 -12.516 -12.720 832 1HE2 GLN 109 HE22 GLN 109 96.511 -10.968 -15.139 833 2HE2 GLN 109 HE21 GLN 109 94.994 -11.661 -14.828 834 H ARG 110 HN ARG 110 93.469 -13.483 -8.048 835 HA ARG 110 HA ARG 110 95.849 -13.029 -6.296 836 1HB ARG 110 2HB ARG 110 94.358 -11.002 -6.499 837 2HB ARG 110 3HB ARG 110 93.069 -11.956 -5.764 838 1HG ARG 110 2HG ARG 110 94.389 -12.304 -3.763 839 2HG ARG 110 3HG ARG 110 95.779 -11.523 -4.497 840 1HD ARG 110 2HD ARG 110 93.119 -10.176 -3.991 841 2HD ARG 110 3HD ARG 110 94.519 -10.016 -2.937 842 HE ARG 110 HE ARG 110 94.025 -8.516 -5.331 843 1HH1 ARG 110 HH21 ARG 110 96.569 -10.262 -3.780 844 2HH1 ARG 110 HH22 ARG 110 97.818 -9.506 -4.710 845 1HH2 ARG 110 HH11 ARG 110 95.640 -7.526 -6.528 846 2HH2 ARG 110 HH12 ARG 110 97.294 -7.961 -6.260 847 H ARG 111 HN ARG 111 95.981 -14.394 -4.536 848 HA ARG 111 HA ARG 111 93.828 -16.446 -4.313 849 1HB ARG 111 2HB ARG 111 96.737 -16.463 -3.468 850 2HB ARG 111 3HB ARG 111 95.599 -17.742 -3.049 851 1HG ARG 111 2HG ARG 111 95.123 -18.029 -5.496 852 2HG ARG 111 3HG ARG 111 96.407 -16.869 -5.833 853 1HD ARG 111 2HD ARG 111 97.579 -18.678 -4.067 854 2HD ARG 111 3HD ARG 111 96.603 -19.697 -5.118 855 HE ARG 111 HE ARG 111 99.078 -18.712 -5.874 856 1HH1 ARG 111 HH21 ARG 111 95.825 -18.277 -6.972 857 2HH1 ARG 111 HH22 ARG 111 96.291 -17.888 -8.590 858 1HH2 ARG 111 HH11 ARG 111 99.683 -18.210 -7.983 859 2HH2 ARG 111 HH12 ARG 111 98.467 -17.847 -9.161 No H/Q in entry = 859 Start of MODEL 12 1 1H GLU 1 HT1 GLU 1 95.537 -5.265 -17.645 2 2H GLU 1 HT3 GLU 1 94.997 -4.993 -19.229 3 3H GLU 1 HT2 GLU 1 96.614 -5.437 -18.949 4 HA GLU 1 HA GLU 1 97.031 -3.361 -17.805 5 1HB GLU 1 2HB GLU 1 97.311 -3.506 -20.290 6 2HB GLU 1 3HB GLU 1 95.653 -2.932 -20.479 7 1HG GLU 1 2HG GLU 1 96.263 -0.871 -19.205 8 2HG GLU 1 3HG GLU 1 97.935 -1.431 -19.155 9 H ASP 2 HN ASP 2 93.702 -4.090 -18.409 10 HA ASP 2 HA ASP 2 92.621 -1.480 -17.757 11 1HB ASP 2 2HB ASP 2 91.312 -3.207 -18.990 12 2HB ASP 2 3HB ASP 2 91.304 -4.209 -17.538 13 H LEU 3 HN LEU 3 91.874 -0.733 -15.726 14 HA LEU 3 HA LEU 3 93.031 -2.128 -13.375 15 1HB LEU 3 2HB LEU 3 91.773 0.615 -13.691 16 2HB LEU 3 3HB LEU 3 92.441 -0.006 -12.179 17 HG LEU 3 HG LEU 3 94.542 -0.491 -13.762 18 1HD1 LEU 3 HD13 LEU 3 92.882 0.821 -15.533 19 2HD1 LEU 3 HD12 LEU 3 93.930 2.121 -14.962 20 3HD1 LEU 3 HD11 LEU 3 94.631 0.678 -15.696 21 1HD2 LEU 3 HD23 LEU 3 93.852 2.217 -12.568 22 2HD2 LEU 3 HD22 LEU 3 94.590 0.862 -11.712 23 3HD2 LEU 3 HD21 LEU 3 95.474 1.680 -12.998 24 HA PRO 4 HA PRO 4 89.085 -3.756 -12.196 25 1HB PRO 4 2HB PRO 4 89.487 -3.995 -9.494 26 2HB PRO 4 3HB PRO 4 90.133 -5.129 -10.691 27 1HG PRO 4 2HG PRO 4 91.505 -2.906 -9.261 28 2HG PRO 4 3HG PRO 4 92.124 -4.498 -9.734 29 1HD PRO 4 2HD PRO 4 92.713 -2.200 -11.111 30 2HD PRO 4 3HD PRO 4 92.661 -3.804 -11.876 31 H HIS 5 HN HIS 5 90.104 -0.667 -11.438 32 HA HIS 5 HA HIS 5 88.110 0.085 -9.475 33 1HB HIS 5 2HB HIS 5 89.662 1.751 -11.482 34 2HB HIS 5 3HB HIS 5 88.633 2.424 -10.214 35 HD1 HIS 5 HD1 HIS 5 89.293 1.126 -7.718 36 HD2 HIS 5 HD2 HIS 5 92.260 1.689 -10.591 37 HE1 HIS 5 HE1 HIS 5 91.510 0.930 -6.506 38 H HIS 6 HN HIS 6 88.196 -0.120 -12.974 39 HA HIS 6 HA HIS 6 85.812 1.352 -13.538 40 1HB HIS 6 2HB HIS 6 87.088 -1.012 -14.942 41 2HB HIS 6 3HB HIS 6 85.716 -0.115 -15.594 42 HD1 HIS 6 HD1 HIS 6 86.237 2.664 -15.548 43 HD2 HIS 6 HD2 HIS 6 89.455 0.039 -15.869 44 HE1 HIS 6 HE1 HIS 6 88.176 4.021 -16.451 45 H ASP 7 HN ASP 7 86.378 -1.935 -12.421 46 HA ASP 7 HA ASP 7 83.523 -2.620 -12.637 47 1HB ASP 7 2HB ASP 7 85.885 -4.216 -11.619 48 2HB ASP 7 3HB ASP 7 84.252 -4.841 -11.846 49 H GLU 8 HN GLU 8 82.136 -2.471 -10.949 50 HA GLU 8 HA GLU 8 83.046 -1.447 -8.386 51 1HB GLU 8 2HB GLU 8 80.923 -0.692 -9.330 52 2HB GLU 8 3HB GLU 8 80.316 -2.350 -9.324 53 1HG GLU 8 2HG GLU 8 80.363 -2.462 -6.961 54 2HG GLU 8 3HG GLU 8 81.296 -0.972 -6.829 55 H LYS 9 HN LYS 9 82.325 -4.574 -9.686 56 HA LYS 9 HA LYS 9 81.772 -5.916 -7.190 57 1HB LYS 9 2HB LYS 9 82.252 -7.969 -8.539 58 2HB LYS 9 3HB LYS 9 81.114 -6.869 -9.321 59 1HG LYS 9 2HG LYS 9 82.486 -6.602 -11.075 60 2HG LYS 9 3HG LYS 9 83.797 -6.095 -10.019 61 1HD LYS 9 2HD LYS 9 84.043 -8.662 -9.538 62 2HD LYS 9 3HD LYS 9 83.160 -8.834 -11.060 63 1HE LYS 9 2HE LYS 9 85.032 -6.883 -11.653 64 2HE LYS 9 3HE LYS 9 85.921 -7.978 -10.593 65 1HZ LYS 9 HZ1 LYS 9 84.356 -9.454 -12.428 66 2HZ LYS 9 HZ3 LYS 9 85.337 -8.353 -13.268 67 3HZ LYS 9 HZ2 LYS 9 86.043 -9.470 -12.199 68 H THR 10 HN THR 10 84.747 -4.808 -8.607 69 HA THR 10 HA THR 10 86.440 -6.798 -7.345 70 HB THR 10 HB THR 10 88.283 -5.225 -7.965 71 HG1 THR 10 HG1 THR 10 86.334 -3.488 -7.912 72 1HG2 THR 10 HG23 THR 10 86.170 -5.926 -10.007 73 2HG2 THR 10 HG22 THR 10 87.765 -5.321 -10.449 74 3HG2 THR 10 HG21 THR 10 87.610 -6.855 -9.592 75 H TRP 11 HN TRP 11 85.057 -3.767 -6.224 76 HA TRP 11 HA TRP 11 86.548 -4.187 -3.665 77 1HB TRP 11 2HB TRP 11 85.812 -1.544 -3.574 78 2HB TRP 11 3HB TRP 11 87.405 -2.116 -4.079 79 HD1 TRP 11 HD1 TRP 11 87.590 -2.691 -6.794 80 HE1 TRP 11 HE1 TRP 11 86.609 -1.403 -8.793 81 HE3 TRP 11 HE3 TRP 11 84.019 0.037 -4.386 82 HZ2 TRP 11 HZ2 TRP 11 84.603 0.577 -9.296 83 HZ3 TRP 11 HZ3 TRP 11 82.594 1.625 -5.645 84 HH2 TRP 11 HH2 TRP 11 82.881 1.900 -8.095 85 H ASN 12 HN ASN 12 83.505 -3.680 -5.242 86 HA ASN 12 HA ASN 12 82.066 -3.030 -2.769 87 1HB ASN 12 2HB ASN 12 81.384 -2.212 -5.045 88 2HB ASN 12 3HB ASN 12 80.939 -3.872 -5.443 89 1HD2 ASN 12 HD22 ASN 12 77.734 -2.916 -4.227 90 2HD2 ASN 12 HD21 ASN 12 78.648 -3.243 -5.619 91 H VAL 13 HN VAL 13 81.471 -4.507 -1.334 92 HA VAL 13 HA VAL 13 80.703 -7.217 -2.298 93 HB VAL 13 HB VAL 13 82.159 -6.882 0.305 94 1HG1 VAL 13 HG13 VAL 13 80.973 -9.000 -0.258 95 2HG1 VAL 13 HG12 VAL 13 81.960 -9.148 -1.709 96 3HG1 VAL 13 HG11 VAL 13 82.714 -9.238 -0.116 97 1HG2 VAL 13 HG21 VAL 13 83.434 -7.251 -2.431 98 2HG2 VAL 13 HG23 VAL 13 83.612 -5.838 -1.389 99 3HG2 VAL 13 HG22 VAL 13 84.279 -7.392 -0.887 100 H GLY 14 HN GLY 14 79.119 -4.873 -1.568 101 1HA GLY 14 2HA GLY 14 78.046 -4.521 0.872 102 2HA GLY 14 3HA GLY 14 76.976 -4.764 -0.506 103 H SER 15 HN SER 15 77.821 -7.603 -0.862 104 HA SER 15 HA SER 15 75.904 -8.807 0.938 105 1HB SER 15 2HB SER 15 76.554 -10.915 -0.086 106 2HB SER 15 3HB SER 15 76.422 -9.682 -1.340 107 HG SER 15 HG SER 15 78.544 -9.689 -1.585 108 H SER 16 HN SER 16 79.303 -8.183 1.158 109 HA SER 16 HA SER 16 80.010 -10.248 3.020 110 1HB SER 16 2HB SER 16 81.710 -8.948 1.829 111 2HB SER 16 3HB SER 16 81.172 -7.476 2.630 112 HG SER 16 HG SER 16 81.751 -8.445 4.615 113 H ASN 17 HN ASN 17 80.153 -10.148 5.330 114 HA ASN 17 HA ASN 17 78.479 -7.996 6.577 115 1HB ASN 17 2HB ASN 17 78.918 -10.865 7.455 116 2HB ASN 17 3HB ASN 17 78.053 -9.659 8.403 117 1HD2 ASN 17 HD22 ASN 17 75.687 -11.653 6.193 118 2HD2 ASN 17 HD21 ASN 17 76.923 -12.140 7.248 119 H ARG 18 HN ARG 18 79.119 -7.577 8.941 120 HA ARG 18 HA ARG 18 81.822 -6.731 9.099 121 1HB ARG 18 2HB ARG 18 79.777 -7.284 11.258 122 2HB ARG 18 3HB ARG 18 81.394 -6.692 11.630 123 1HG ARG 18 2HG ARG 18 81.002 -4.750 10.116 124 2HG ARG 18 3HG ARG 18 79.345 -5.317 9.865 125 1HD ARG 18 2HD ARG 18 78.928 -3.914 11.639 126 2HD ARG 18 3HD ARG 18 79.401 -5.343 12.558 127 HE ARG 18 HE ARG 18 81.801 -4.032 12.147 128 1HH1 ARG 18 HH21 ARG 18 78.689 -3.208 13.337 129 2HH1 ARG 18 HH22 ARG 18 79.270 -2.006 14.441 130 1HH2 ARG 18 HH11 ARG 18 82.599 -2.461 13.584 131 2HH2 ARG 18 HH12 ARG 18 81.487 -1.571 14.570 132 H ASN 19 HN ASN 19 80.281 -9.712 10.356 133 HA ASN 19 HA ASN 19 82.673 -10.749 11.578 134 1HB ASN 19 2HB ASN 19 80.330 -11.595 11.997 135 2HB ASN 19 3HB ASN 19 80.382 -12.348 10.401 136 1HD2 ASN 19 HD22 ASN 19 81.595 -14.800 12.999 137 2HD2 ASN 19 HD21 ASN 19 80.179 -13.876 12.857 138 H LYS 20 HN LYS 20 81.158 -11.274 8.386 139 HA LYS 20 HA LYS 20 83.205 -13.040 7.412 140 1HB LYS 20 2HB LYS 20 80.919 -12.700 6.358 141 2HB LYS 20 3HB LYS 20 81.522 -11.162 5.734 142 1HG LYS 20 2HG LYS 20 83.306 -12.298 4.519 143 2HG LYS 20 3HG LYS 20 82.827 -13.853 5.205 144 1HD LYS 20 2HD LYS 20 80.614 -13.644 4.105 145 2HD LYS 20 3HD LYS 20 81.121 -12.108 3.400 146 1HE LYS 20 2HE LYS 20 83.043 -13.341 2.309 147 2HE LYS 20 3HE LYS 20 82.307 -14.848 2.861 148 1HZ LYS 20 HZ2 LYS 20 80.211 -13.835 1.740 149 2HZ LYS 20 HZ1 LYS 20 81.350 -12.933 0.857 150 3HZ LYS 20 HZ3 LYS 20 81.386 -14.628 0.800 151 H ALA 21 HN ALA 21 82.811 -9.520 7.420 152 HA ALA 21 HA ALA 21 84.938 -8.845 5.666 153 1HB ALA 21 HB2 ALA 21 83.249 -7.254 6.763 154 2HB ALA 21 HB1 ALA 21 84.281 -7.310 8.192 155 3HB ALA 21 HB3 ALA 21 84.916 -6.673 6.676 156 H GLU 22 HN GLU 22 84.959 -9.708 9.106 157 HA GLU 22 HA GLU 22 87.686 -9.092 9.629 158 1HB GLU 22 2HB GLU 22 85.878 -11.246 10.767 159 2HB GLU 22 3HB GLU 22 87.502 -10.931 11.375 160 1HG GLU 22 2HG GLU 22 86.882 -8.616 11.892 161 2HG GLU 22 3HG GLU 22 85.267 -8.887 11.237 162 H ASN 23 HN ASN 23 86.143 -12.040 8.361 163 HA ASN 23 HA ASN 23 88.547 -13.550 8.080 164 1HB ASN 23 2HB ASN 23 85.866 -13.637 6.696 165 2HB ASN 23 3HB ASN 23 87.158 -14.762 6.284 166 1HD2 ASN 23 HD22 ASN 23 86.852 -15.509 10.128 167 2HD2 ASN 23 HD21 ASN 23 87.890 -14.386 9.387 168 H LEU 24 HN LEU 24 86.795 -11.383 5.826 169 HA LEU 24 HA LEU 24 88.694 -11.740 3.666 170 1HB LEU 24 2HB LEU 24 86.655 -9.543 4.179 171 2HB LEU 24 3HB LEU 24 87.560 -9.738 2.676 172 HG LEU 24 HG LEU 24 85.750 -11.852 3.883 173 1HD1 LEU 24 HD13 LEU 24 84.756 -9.612 2.843 174 2HD1 LEU 24 HD12 LEU 24 85.109 -10.431 1.323 175 3HD1 LEU 24 HD11 LEU 24 84.025 -11.177 2.499 176 1HD2 LEU 24 HD21 LEU 24 87.694 -11.798 1.686 177 2HD2 LEU 24 HD23 LEU 24 86.962 -13.176 2.506 178 3HD2 LEU 24 HD22 LEU 24 86.102 -12.379 1.190 179 H LEU 25 HN LEU 25 88.510 -9.712 6.486 180 HA LEU 25 HA LEU 25 90.738 -8.003 5.508 181 1HB LEU 25 2HB LEU 25 89.115 -7.961 8.072 182 2HB LEU 25 3HB LEU 25 90.403 -6.819 7.689 183 HG LEU 25 HG LEU 25 88.143 -7.227 5.748 184 1HD1 LEU 25 HD11 LEU 25 87.199 -6.759 8.051 185 2HD1 LEU 25 HD13 LEU 25 88.116 -5.251 8.053 186 3HD1 LEU 25 HD12 LEU 25 86.845 -5.510 6.856 187 1HD2 LEU 25 HD21 LEU 25 90.001 -4.937 6.478 188 2HD2 LEU 25 HD23 LEU 25 90.084 -5.929 5.020 189 3HD2 LEU 25 HD22 LEU 25 88.723 -4.834 5.265 190 H ARG 26 HN ARG 26 90.207 -10.872 7.193 191 HA ARG 26 HA ARG 26 92.735 -10.699 8.737 192 1HB ARG 26 2HB ARG 26 90.427 -12.669 8.710 193 2HB ARG 26 3HB ARG 26 91.923 -12.970 9.604 194 1HG ARG 26 2HG ARG 26 90.711 -10.303 10.035 195 2HG ARG 26 3HG ARG 26 89.762 -11.664 10.637 196 1HD ARG 26 2HD ARG 26 91.738 -12.494 11.860 197 2HD ARG 26 3HD ARG 26 92.672 -11.114 11.285 198 HE ARG 26 HE ARG 26 90.454 -9.977 12.524 199 1HH1 ARG 26 HH21 ARG 26 92.994 -12.165 13.314 200 2HH1 ARG 26 HH22 ARG 26 92.946 -11.820 15.011 201 1HH2 ARG 26 HH11 ARG 26 90.398 -9.494 14.742 202 2HH2 ARG 26 HH12 ARG 26 91.478 -10.319 15.817 203 H GLY 27 HN GLY 27 94.562 -11.818 8.083 204 1HA GLY 27 2HA GLY 27 95.848 -13.433 6.913 205 2HA GLY 27 3HA GLY 27 94.361 -14.063 6.207 206 H LYS 28 HN LYS 28 94.218 -10.799 5.745 207 HA LYS 28 HA LYS 28 95.335 -11.059 2.997 208 1HB LYS 28 2HB LYS 28 93.325 -9.071 4.107 209 2HB LYS 28 3HB LYS 28 93.866 -9.156 2.430 210 1HG LYS 28 2HG LYS 28 93.138 -11.687 2.655 211 2HG LYS 28 3HG LYS 28 92.123 -11.062 3.950 212 1HD LYS 28 2HD LYS 28 90.713 -10.863 2.096 213 2HD LYS 28 3HD LYS 28 91.438 -9.257 2.168 214 1HE LYS 28 2HE LYS 28 91.583 -9.995 -0.124 215 2HE LYS 28 3HE LYS 28 93.204 -10.077 0.559 216 1HZ LYS 28 HZ1 LYS 28 92.667 -12.468 1.081 217 2HZ LYS 28 HZ3 LYS 28 91.326 -12.303 0.052 218 3HZ LYS 28 HZ2 LYS 28 92.897 -12.085 -0.556 219 H ARG 29 HN ARG 29 96.968 -9.710 2.350 220 HA ARG 29 HA ARG 29 98.501 -8.309 4.337 221 1HB ARG 29 2HB ARG 29 99.920 -7.614 2.469 222 2HB ARG 29 3HB ARG 29 99.493 -9.318 2.292 223 1HG ARG 29 2HG ARG 29 97.644 -8.671 0.756 224 2HG ARG 29 3HG ARG 29 98.146 -6.986 0.895 225 1HD ARG 29 2HD ARG 29 100.340 -7.531 -0.044 226 2HD ARG 29 3HD ARG 29 99.911 -9.234 -0.121 227 HE ARG 29 HE ARG 29 97.948 -7.967 -1.638 228 1HH1 ARG 29 HH21 ARG 29 101.382 -8.057 -1.514 229 2HH1 ARG 29 HH22 ARG 29 101.593 -7.785 -3.211 230 1HH2 ARG 29 HH11 ARG 29 98.210 -7.574 -3.882 231 2HH2 ARG 29 HH12 ARG 29 99.808 -7.528 -4.548 232 H ASP 30 HN ASP 30 99.045 -5.995 4.265 233 HA ASP 30 HA ASP 30 96.788 -4.287 4.418 234 1HB ASP 30 2HB ASP 30 99.691 -3.579 3.914 235 2HB ASP 30 3HB ASP 30 98.434 -2.432 4.381 236 H GLY 31 HN GLY 31 96.016 -2.678 3.003 237 1HA GLY 31 2HA GLY 31 96.179 -1.434 0.898 238 2HA GLY 31 3HA GLY 31 97.107 -2.774 0.229 239 H THR 32 HN THR 32 95.273 -4.792 1.338 240 HA THR 32 HA THR 32 93.344 -4.759 -0.856 241 HB THR 32 HB THR 32 93.672 -6.705 1.450 242 HG1 THR 32 HG1 THR 32 95.473 -6.935 0.316 243 1HG2 THR 32 HG21 THR 32 91.721 -6.480 -0.668 244 2HG2 THR 32 HG23 THR 32 92.635 -7.980 -0.826 245 3HG2 THR 32 HG22 THR 32 91.782 -7.622 0.673 246 H PHE 33 HN PHE 33 91.375 -3.728 -0.649 247 HA PHE 33 HA PHE 33 90.147 -3.747 2.062 248 1HB PHE 33 2HB PHE 33 89.862 -1.484 2.182 249 2HB PHE 33 3HB PHE 33 91.318 -1.493 1.191 250 HD1 PHE 33 HD1 PHE 33 90.655 -1.954 -1.470 251 HD2 PHE 33 HD2 PHE 33 88.224 -0.016 1.493 252 HE1 PHE 33 HE1 PHE 33 89.411 -0.734 -3.248 253 HE2 PHE 33 HE2 PHE 33 87.009 1.192 -0.303 254 HZ PHE 33 HZ PHE 33 87.598 0.830 -2.650 255 H LEU 34 HN LEU 34 87.790 -3.213 1.958 256 HA LEU 34 HA LEU 34 86.629 -3.903 -0.704 257 1HB LEU 34 2HB LEU 34 85.008 -5.401 0.400 258 2HB LEU 34 3HB LEU 34 86.660 -5.959 0.660 259 HG LEU 34 HG LEU 34 85.516 -4.077 2.673 260 1HD1 LEU 34 HD13 LEU 34 83.730 -5.825 2.153 261 2HD1 LEU 34 HD12 LEU 34 84.875 -7.035 2.732 262 3HD1 LEU 34 HD11 LEU 34 84.290 -5.782 3.824 263 1HD2 LEU 34 HD23 LEU 34 87.332 -6.498 2.687 264 2HD2 LEU 34 HD22 LEU 34 87.783 -4.813 2.963 265 3HD2 LEU 34 HD21 LEU 34 86.808 -5.673 4.154 266 H VAL 35 HN VAL 35 84.398 -3.181 -0.940 267 HA VAL 35 HA VAL 35 83.760 -0.965 0.941 268 HB VAL 35 HB VAL 35 83.112 -1.204 -2.010 269 1HG1 VAL 35 HG13 VAL 35 82.027 0.446 0.162 270 2HG1 VAL 35 HG12 VAL 35 82.623 1.391 -1.200 271 3HG1 VAL 35 HG11 VAL 35 81.387 0.159 -1.454 272 1HG2 VAL 35 HG21 VAL 35 85.503 -0.625 -1.246 273 2HG2 VAL 35 HG23 VAL 35 84.724 0.519 -2.339 274 3HG2 VAL 35 HG22 VAL 35 84.815 0.869 -0.611 275 H ARG 36 HN ARG 36 81.920 -1.251 2.088 276 HA ARG 36 HA ARG 36 79.625 -2.685 0.915 277 1HB ARG 36 2HB ARG 36 79.456 -4.325 2.692 278 2HB ARG 36 3HB ARG 36 81.071 -4.456 2.004 279 1HG ARG 36 2HG ARG 36 81.969 -3.064 3.835 280 2HG ARG 36 3HG ARG 36 80.350 -2.924 4.524 281 1HD ARG 36 2HD ARG 36 80.654 -5.656 4.173 282 2HD ARG 36 3HD ARG 36 82.258 -5.145 4.692 283 HE ARG 36 HE ARG 36 80.113 -5.483 6.444 284 1HH1 ARG 36 HH21 ARG 36 82.129 -2.832 5.470 285 2HH1 ARG 36 HH22 ARG 36 81.910 -1.969 6.958 286 1HH2 ARG 36 HH11 ARG 36 79.836 -4.348 8.366 287 2HH2 ARG 36 HH12 ARG 36 80.624 -2.821 8.582 288 H GLU 37 HN GLU 37 77.829 -2.713 2.798 289 HA GLU 37 HA GLU 37 77.923 0.022 3.941 290 1HB GLU 37 2HB GLU 37 75.426 -0.396 4.257 291 2HB GLU 37 3HB GLU 37 75.965 -0.308 2.580 292 1HG GLU 37 2HG GLU 37 75.933 -2.960 3.974 293 2HG GLU 37 3HG GLU 37 74.419 -2.283 3.366 294 H SER 38 HN SER 38 76.805 0.200 6.116 295 HA SER 38 HA SER 38 78.026 -1.734 7.961 296 1HB SER 38 2HB SER 38 77.103 -0.367 9.708 297 2HB SER 38 3HB SER 38 77.557 0.764 8.435 298 HG SER 38 HG SER 38 74.996 -0.198 9.150 299 H SER 39 HN SER 39 75.785 -1.977 5.844 300 HA SER 39 HA SER 39 74.330 -3.811 5.528 301 1HB SER 39 2HB SER 39 73.633 -5.176 7.323 302 2HB SER 39 3HB SER 39 75.210 -4.621 7.870 303 HG SER 39 HG SER 39 73.535 -4.376 9.454 304 H LYS 40 HN LYS 40 73.910 -1.004 7.467 305 HA LYS 40 HA LYS 40 71.021 -1.017 7.464 306 1HB LYS 40 2HB LYS 40 73.006 1.238 7.865 307 2HB LYS 40 3HB LYS 40 71.292 1.316 8.249 308 1HG LYS 40 2HG LYS 40 73.027 -0.864 9.393 309 2HG LYS 40 3HG LYS 40 72.962 0.721 10.164 310 1HD LYS 40 2HD LYS 40 70.523 -0.975 9.546 311 2HD LYS 40 3HD LYS 40 71.317 -0.922 11.114 312 1HE LYS 40 2HE LYS 40 69.725 1.208 9.725 313 2HE LYS 40 3HE LYS 40 69.656 0.680 11.402 314 1HZ LYS 40 HZ2 LYS 40 71.883 1.653 11.713 315 2HZ LYS 40 HZ1 LYS 40 71.815 2.271 10.134 316 3HZ LYS 40 HZ3 LYS 40 70.708 2.806 11.302 317 H GLN 41 HN GLN 41 69.652 0.260 6.112 318 HA GLN 41 HA GLN 41 70.617 0.505 3.376 319 1HB GLN 41 2HB GLN 41 68.000 1.327 4.669 320 2HB GLN 41 3HB GLN 41 68.314 1.353 2.933 321 1HG GLN 41 2HG GLN 41 68.786 -1.083 2.996 322 2HG GLN 41 3HG GLN 41 68.426 -1.093 4.724 323 1HE2 GLN 41 HE22 GLN 41 65.210 -0.051 2.392 324 2HE2 GLN 41 HE21 GLN 41 66.716 0.675 2.104 325 H GLY 42 HN GLY 42 71.397 2.331 2.411 326 1HA GLY 42 2HA GLY 42 71.600 4.689 2.029 327 2HA GLY 42 3HA GLY 42 70.793 4.985 3.568 328 H CYS 43 HN CYS 43 72.998 2.659 4.235 329 HA CYS 43 HA CYS 43 75.045 4.692 5.023 330 1HB CYS 43 2HB CYS 43 74.264 2.058 6.292 331 2HB CYS 43 3HB CYS 43 75.700 2.966 6.760 332 HG CYS 43 HG CYS 43 74.082 4.983 7.398 333 H TYR 44 HN TYR 44 77.149 4.395 4.309 334 HA TYR 44 HA TYR 44 77.753 1.809 2.939 335 1HB TYR 44 2HB TYR 44 78.584 4.589 2.041 336 2HB TYR 44 3HB TYR 44 79.088 3.084 1.275 337 HD1 TYR 44 HD1 TYR 44 77.342 1.568 0.262 338 HD2 TYR 44 HD2 TYR 44 76.450 5.560 1.573 339 HE1 TYR 44 HE1 TYR 44 75.261 1.548 -1.088 340 HE2 TYR 44 HE2 TYR 44 74.364 5.532 0.235 341 HH TYR 44 HH TYR 44 73.622 4.187 -1.952 342 H ALA 45 HN ALA 45 79.993 1.082 3.187 343 HA ALA 45 HA ALA 45 81.835 2.782 4.714 344 1HB ALA 45 HB3 ALA 45 80.300 1.735 6.435 345 2HB ALA 45 HB2 ALA 45 80.930 0.164 5.934 346 3HB ALA 45 HB1 ALA 45 82.010 1.358 6.650 347 H CYS 46 HN CYS 46 83.950 2.186 4.295 348 HA CYS 46 HA CYS 46 84.297 -0.402 2.863 349 1HB CYS 46 2HB CYS 46 86.057 0.585 1.538 350 2HB CYS 46 3HB CYS 46 84.659 1.656 1.452 351 HG CYS 46 HG CYS 46 87.331 2.459 2.508 352 H SER 47 HN SER 47 85.659 -1.809 3.754 353 HA SER 47 HA SER 47 87.251 -0.857 6.091 354 1HB SER 47 2HB SER 47 85.492 -2.649 6.415 355 2HB SER 47 3HB SER 47 86.480 -3.705 5.412 356 HG SER 47 HG SER 47 87.994 -3.763 6.942 357 H VAL 48 HN VAL 48 89.442 -1.176 6.171 358 HA VAL 48 HA VAL 48 90.672 -2.667 3.890 359 HB VAL 48 HB VAL 48 90.950 -0.229 3.564 360 1HG1 VAL 48 HG13 VAL 48 90.840 0.425 5.955 361 2HG1 VAL 48 HG12 VAL 48 92.414 -0.328 6.222 362 3HG1 VAL 48 HG11 VAL 48 92.276 1.080 5.171 363 1HG2 VAL 48 HG22 VAL 48 92.776 -2.043 3.092 364 2HG2 VAL 48 HG21 VAL 48 93.225 -0.341 3.009 365 3HG2 VAL 48 HG23 VAL 48 93.627 -1.286 4.441 366 H VAL 49 HN VAL 49 93.030 -3.158 4.424 367 HA VAL 49 HA VAL 49 93.259 -3.919 7.313 368 HB VAL 49 HB VAL 49 94.447 -5.271 4.878 369 1HG1 VAL 49 HG13 VAL 49 95.064 -5.402 7.747 370 2HG1 VAL 49 HG12 VAL 49 94.713 -6.975 7.034 371 3HG1 VAL 49 HG11 VAL 49 96.005 -5.980 6.372 372 1HG2 VAL 49 HG22 VAL 49 92.041 -5.701 6.561 373 2HG2 VAL 49 HG21 VAL 49 92.297 -6.071 4.857 374 3HG2 VAL 49 HG23 VAL 49 92.944 -7.137 6.099 375 H VAL 50 HN VAL 50 95.096 -3.132 8.397 376 HA VAL 50 HA VAL 50 97.175 -1.921 6.632 377 HB VAL 50 HB VAL 50 95.636 -0.263 7.875 378 1HG1 VAL 50 HG11 VAL 50 96.022 -1.743 10.026 379 2HG1 VAL 50 HG13 VAL 50 97.442 -0.721 10.211 380 3HG1 VAL 50 HG12 VAL 50 95.833 0.000 10.161 381 1HG2 VAL 50 HG23 VAL 50 98.466 -0.290 7.346 382 2HG2 VAL 50 HG22 VAL 50 97.350 1.073 7.287 383 3HG2 VAL 50 HG21 VAL 50 98.159 0.662 8.799 384 H ASP 51 HN ASP 51 99.281 -1.813 7.560 385 HA ASP 51 HA ASP 51 100.319 -4.192 8.528 386 1HB ASP 51 2HB ASP 51 102.363 -2.984 8.938 387 2HB ASP 51 3HB ASP 51 101.579 -2.215 7.556 388 H GLY 52 HN GLY 52 98.480 -1.994 10.222 389 1HA GLY 52 2HA GLY 52 99.616 -2.773 12.849 390 2HA GLY 52 3HA GLY 52 98.440 -1.482 12.589 391 H GLU 53 HN GLU 53 96.375 -2.511 11.363 392 HA GLU 53 HA GLU 53 95.648 -5.177 12.265 393 1HB GLU 53 2HB GLU 53 94.545 -2.779 13.740 394 2HB GLU 53 3HB GLU 53 93.751 -4.348 13.749 395 1HG GLU 53 2HG GLU 53 96.061 -5.259 14.532 396 2HG GLU 53 3HG GLU 53 96.411 -3.572 14.926 397 H VAL 54 HN VAL 54 93.007 -5.201 12.126 398 HA VAL 54 HA VAL 54 92.439 -4.260 9.398 399 HB VAL 54 HB VAL 54 90.371 -5.688 9.756 400 1HG1 VAL 54 HG12 VAL 54 92.462 -6.604 8.740 401 2HG1 VAL 54 HG11 VAL 54 92.987 -7.082 10.356 402 3HG1 VAL 54 HG13 VAL 54 91.554 -7.817 9.645 403 1HG2 VAL 54 HG23 VAL 54 91.800 -6.275 12.354 404 2HG2 VAL 54 HG22 VAL 54 90.220 -5.513 12.184 405 3HG2 VAL 54 HG21 VAL 54 90.436 -7.201 11.737 406 H LYS 55 HN LYS 55 91.413 -2.265 9.198 407 HA LYS 55 HA LYS 55 89.706 -1.400 11.510 408 1HB LYS 55 2HB LYS 55 91.380 0.281 9.628 409 2HB LYS 55 3HB LYS 55 90.242 0.938 10.803 410 1HG LYS 55 2HG LYS 55 92.189 0.987 12.052 411 2HG LYS 55 3HG LYS 55 91.580 -0.610 12.478 412 1HD LYS 55 2HD LYS 55 93.000 -1.646 10.800 413 2HD LYS 55 3HD LYS 55 93.559 -0.064 10.254 414 1HE LYS 55 2HE LYS 55 93.843 -0.845 13.142 415 2HE LYS 55 3HE LYS 55 95.031 -1.398 11.962 416 1HZ LYS 55 HZ2 LYS 55 94.777 1.209 11.355 417 2HZ LYS 55 HZ1 LYS 55 94.588 1.235 13.043 418 3HZ LYS 55 HZ3 LYS 55 95.987 0.565 12.358 419 H HIS 56 HN HIS 56 87.827 -0.096 10.963 420 HA HIS 56 HA HIS 56 86.832 -0.687 8.208 421 1HB HIS 56 2HB HIS 56 85.256 -0.164 10.744 422 2HB HIS 56 3HB HIS 56 84.570 -0.553 9.165 423 HD1 HIS 56 HD1 HIS 56 85.731 -2.899 8.129 424 HD2 HIS 56 HD2 HIS 56 85.561 -2.446 12.268 425 HE1 HIS 56 HE1 HIS 56 86.008 -5.217 9.113 426 H CYS 57 HN CYS 57 86.457 1.036 6.907 427 HA CYS 57 HA CYS 57 86.408 3.735 8.179 428 1HB CYS 57 2HB CYS 57 88.174 3.403 6.470 429 2HB CYS 57 3HB CYS 57 86.933 2.987 5.286 430 HG CYS 57 HG CYS 57 87.171 5.820 6.593 431 H VAL 58 HN VAL 58 84.524 4.817 8.152 432 HA VAL 58 HA VAL 58 82.211 3.530 6.891 433 HB VAL 58 HB VAL 58 82.344 4.668 9.238 434 1HG1 VAL 58 HG13 VAL 58 83.229 6.823 8.144 435 2HG1 VAL 58 HG12 VAL 58 81.576 7.082 7.581 436 3HG1 VAL 58 HG11 VAL 58 81.915 7.015 9.309 437 1HG2 VAL 58 HG22 VAL 58 80.087 5.093 7.252 438 2HG2 VAL 58 HG21 VAL 58 80.249 3.783 8.423 439 3HG2 VAL 58 HG23 VAL 58 79.925 5.428 8.973 440 H ILE 59 HN ILE 59 81.129 4.251 5.125 441 HA ILE 59 HA ILE 59 82.077 6.774 3.834 442 HB ILE 59 HB ILE 59 80.995 4.281 2.471 443 1HG1 ILE 59 HG12 ILE 59 83.234 3.881 3.412 444 2HG1 ILE 59 HG11 ILE 59 83.338 4.008 1.657 445 1HG2 ILE 59 HG22 ILE 59 80.657 6.623 1.419 446 2HG2 ILE 59 HG21 ILE 59 82.404 6.619 1.176 447 3HG2 ILE 59 HG23 ILE 59 81.405 5.382 0.414 448 1HD1 ILE 59 HD12 ILE 59 83.673 6.610 2.309 449 2HD1 ILE 59 HD11 ILE 59 84.353 5.862 3.752 450 3HD1 ILE 59 HD13 ILE 59 85.025 5.486 2.162 451 H ASN 60 HN ASN 60 80.463 8.292 3.633 452 HA ASN 60 HA ASN 60 77.634 7.283 3.834 453 1HB ASN 60 2HB ASN 60 78.815 9.877 4.869 454 2HB ASN 60 3HB ASN 60 77.112 9.425 4.968 455 1HD2 ASN 60 HD22 ASN 60 78.053 6.568 7.211 456 2HD2 ASN 60 HD21 ASN 60 77.333 6.685 5.676 457 H LYS 61 HN LYS 61 76.040 9.002 2.911 458 HA LYS 61 HA LYS 61 77.305 10.372 0.595 459 1HB LYS 61 2HB LYS 61 76.179 8.197 -0.097 460 2HB LYS 61 3HB LYS 61 74.652 8.899 0.432 461 1HG LYS 61 2HG LYS 61 74.869 10.718 -1.170 462 2HG LYS 61 3HG LYS 61 76.482 10.168 -1.624 463 1HD LYS 61 2HD LYS 61 74.951 9.401 -3.315 464 2HD LYS 61 3HD LYS 61 75.439 7.994 -2.373 465 1HE LYS 61 2HE LYS 61 73.375 8.023 -1.123 466 2HE LYS 61 3HE LYS 61 72.917 9.582 -1.820 467 1HZ LYS 61 HZ3 LYS 61 73.487 7.351 -3.628 468 2HZ LYS 61 HZ2 LYS 61 72.005 7.353 -2.797 469 3HZ LYS 61 HZ1 LYS 61 72.412 8.648 -3.818 470 H THR 62 HN THR 62 76.929 11.970 2.576 471 HA THR 62 HA THR 62 74.347 13.348 2.021 472 HB THR 62 HB THR 62 75.554 13.059 4.795 473 HG1 THR 62 HG1 THR 62 74.633 11.113 3.878 474 1HG2 THR 62 HG21 THR 62 73.381 14.658 3.612 475 2HG2 THR 62 HG23 THR 62 72.901 13.759 5.053 476 3HG2 THR 62 HG22 THR 62 74.250 14.891 5.128 477 H ALA 63 HN ALA 63 74.533 15.696 2.935 478 HA ALA 63 HA ALA 63 76.542 17.137 1.675 479 1HB ALA 63 HB3 ALA 63 75.103 17.767 4.264 480 2HB ALA 63 HB2 ALA 63 76.057 18.941 3.354 481 3HB ALA 63 HB1 ALA 63 74.609 18.239 2.639 482 H THR 64 HN THR 64 77.024 14.979 4.205 483 HA THR 64 HA THR 64 79.195 16.397 5.540 484 HB THR 64 HB THR 64 78.413 13.469 5.584 485 HG1 THR 64 HG1 THR 64 76.883 15.010 6.426 486 1HG2 THR 64 HG23 THR 64 80.693 14.913 6.681 487 2HG2 THR 64 HG22 THR 64 79.732 14.153 7.950 488 3HG2 THR 64 HG21 THR 64 80.384 13.179 6.636 489 H GLY 65 HN GLY 65 78.875 14.408 2.720 490 1HA GLY 65 2HA GLY 65 80.535 14.048 1.073 491 2HA GLY 65 3HA GLY 65 81.718 14.795 2.145 492 H TYR 66 HN TYR 66 79.688 11.853 1.963 493 HA TYR 66 HA TYR 66 80.114 9.761 2.958 494 1HB TYR 66 2HB TYR 66 82.783 9.878 1.633 495 2HB TYR 66 3HB TYR 66 81.558 8.613 1.559 496 HD1 TYR 66 HD2 TYR 66 82.462 12.001 0.349 497 HD2 TYR 66 HD1 TYR 66 79.864 8.618 -0.165 498 HE1 TYR 66 HE2 TYR 66 81.670 12.939 -1.801 499 HE2 TYR 66 HE1 TYR 66 79.067 9.564 -2.318 500 HH TYR 66 HH TYR 66 79.190 12.476 -3.212 501 H GLY 67 HN GLY 67 80.995 11.957 4.691 502 1HA GLY 67 2HA GLY 67 82.047 11.814 6.852 503 2HA GLY 67 3HA GLY 67 82.951 10.407 6.285 504 H PHE 68 HN PHE 68 83.965 11.493 3.873 505 HA PHE 68 HA PHE 68 86.013 13.336 4.985 506 1HB PHE 68 2HB PHE 68 85.905 11.788 2.377 507 2HB PHE 68 3HB PHE 68 87.232 12.844 2.858 508 HD1 PHE 68 HD2 PHE 68 88.653 12.293 4.781 509 HD2 PHE 68 HD1 PHE 68 85.584 9.616 3.418 510 HE1 PHE 68 HE2 PHE 68 89.684 10.456 6.077 511 HE2 PHE 68 HE1 PHE 68 86.619 7.770 4.723 512 HZ PHE 68 HZ PHE 68 88.680 8.193 6.044 513 H ALA 69 HN ALA 69 85.848 15.482 4.558 514 HA ALA 69 HA ALA 69 84.417 16.283 2.065 515 1HB ALA 69 HB2 ALA 69 83.892 17.041 4.870 516 2HB ALA 69 HB1 ALA 69 83.935 18.386 3.730 517 3HB ALA 69 HB3 ALA 69 82.812 17.053 3.478 518 H GLU 70 HN GLU 70 87.348 16.173 3.419 519 HA GLU 70 HA GLU 70 88.101 18.827 2.278 520 1HB GLU 70 2HB GLU 70 89.876 18.989 3.967 521 2HB GLU 70 3HB GLU 70 88.293 18.854 4.731 522 1HG GLU 70 2HG GLU 70 88.717 16.336 4.865 523 2HG GLU 70 3HG GLU 70 90.388 16.693 4.419 524 HA PRO 71 HA PRO 71 91.074 15.196 1.027 525 1HB PRO 71 2HB PRO 71 89.716 13.734 -0.853 526 2HB PRO 71 3HB PRO 71 89.794 13.286 0.863 527 1HG PRO 71 2HG PRO 71 87.602 14.595 -0.655 528 2HG PRO 71 3HG PRO 71 87.522 13.416 0.662 529 1HD PRO 71 2HD PRO 71 87.075 16.106 1.009 530 2HD PRO 71 3HD PRO 71 87.652 15.019 2.294 531 H TYR 72 HN TYR 72 88.669 15.782 -1.557 532 HA TYR 72 HA TYR 72 90.567 17.642 -2.878 533 1HB TYR 72 2HB TYR 72 89.421 15.166 -4.180 534 2HB TYR 72 3HB TYR 72 90.273 16.450 -5.034 535 HD1 TYR 72 HD2 TYR 72 92.669 16.916 -4.548 536 HD2 TYR 72 HD1 TYR 72 90.601 13.563 -2.838 537 HE1 TYR 72 HE2 TYR 72 94.843 15.883 -3.952 538 HE2 TYR 72 HE1 TYR 72 92.772 12.525 -2.240 539 HH TYR 72 HH TYR 72 95.151 13.350 -1.788 540 H ASN 73 HN ASN 73 88.475 18.733 -1.803 541 HA ASN 73 HA ASN 73 86.549 19.987 -2.240 542 1HB ASN 73 2HB ASN 73 87.410 19.429 -5.096 543 2HB ASN 73 3HB ASN 73 86.210 20.630 -4.618 544 1HD2 ASN 73 HD22 ASN 73 88.666 22.794 -3.091 545 2HD2 ASN 73 HD21 ASN 73 87.076 22.246 -2.879 546 H LEU 74 HN LEU 74 85.955 17.375 -1.590 547 HA LEU 74 HA LEU 74 84.223 15.824 -1.724 548 1HB LEU 74 2HB LEU 74 82.994 17.954 -3.506 549 2HB LEU 74 3HB LEU 74 82.144 16.530 -2.909 550 HG LEU 74 HG LEU 74 83.453 18.610 -1.137 551 1HD1 LEU 74 HD11 LEU 74 80.537 18.150 -1.863 552 2HD1 LEU 74 HD13 LEU 74 81.111 19.297 -0.653 553 3HD1 LEU 74 HD12 LEU 74 81.514 19.534 -2.352 554 1HD2 LEU 74 HD22 LEU 74 81.939 16.049 -0.703 555 2HD2 LEU 74 HD21 LEU 74 83.356 16.661 0.153 556 3HD2 LEU 74 HD23 LEU 74 81.766 17.348 0.477 557 H TYR 75 HN TYR 75 84.631 13.981 -2.759 558 HA TYR 75 HA TYR 75 85.794 13.713 -5.334 559 1HB TYR 75 2HB TYR 75 84.076 11.743 -3.794 560 2HB TYR 75 3HB TYR 75 85.070 11.338 -5.194 561 HD1 TYR 75 HD1 TYR 75 87.574 11.986 -5.085 562 HD2 TYR 75 HD2 TYR 75 85.032 11.708 -1.638 563 HE1 TYR 75 HE1 TYR 75 89.573 11.789 -3.631 564 HE2 TYR 75 HE2 TYR 75 87.029 11.496 -0.186 565 HH TYR 75 HH TYR 75 90.052 10.768 -1.300 566 H SER 76 HN SER 76 84.931 13.696 -7.372 567 HA SER 76 HA SER 76 82.257 14.641 -7.809 568 1HB SER 76 2HB SER 76 84.235 13.367 -9.716 569 2HB SER 76 3HB SER 76 82.737 14.147 -10.212 570 HG SER 76 HG SER 76 85.107 15.236 -9.246 571 H SER 77 HN SER 77 83.711 11.406 -7.970 572 HA SER 77 HA SER 77 80.961 10.273 -7.921 573 1HB SER 77 2HB SER 77 81.540 8.646 -9.674 574 2HB SER 77 3HB SER 77 81.686 10.289 -10.294 575 HG SER 77 HG SER 77 83.493 8.679 -10.634 576 H LEU 78 HN LEU 78 80.979 7.970 -7.258 577 HA LEU 78 HA LEU 78 82.676 7.482 -5.018 578 1HB LEU 78 2HB LEU 78 80.957 5.639 -6.692 579 2HB LEU 78 3HB LEU 78 81.782 5.117 -5.219 580 HG LEU 78 HG LEU 78 79.919 7.498 -5.316 581 1HD1 LEU 78 HD12 LEU 78 79.070 4.973 -5.776 582 2HD1 LEU 78 HD11 LEU 78 79.073 4.968 -4.013 583 3HD1 LEU 78 HD13 LEU 78 78.114 6.162 -4.889 584 1HD2 LEU 78 HD21 LEU 78 81.575 6.135 -3.282 585 2HD2 LEU 78 HD23 LEU 78 80.987 7.796 -3.325 586 3HD2 LEU 78 HD22 LEU 78 79.928 6.499 -2.770 587 H LYS 79 HN LYS 79 82.845 6.369 -8.400 588 HA LYS 79 HA LYS 79 84.998 4.540 -8.068 589 1HB LYS 79 2HB LYS 79 84.125 6.258 -10.396 590 2HB LYS 79 3HB LYS 79 85.478 5.125 -10.517 591 1HG LYS 79 2HG LYS 79 84.038 3.271 -9.855 592 2HG LYS 79 3HG LYS 79 82.686 4.375 -9.607 593 1HD LYS 79 2HD LYS 79 83.002 5.046 -12.062 594 2HD LYS 79 3HD LYS 79 84.027 3.619 -12.199 595 1HE LYS 79 2HE LYS 79 82.252 2.141 -11.855 596 2HE LYS 79 3HE LYS 79 81.290 3.337 -10.981 597 1HZ LYS 79 HZ1 LYS 79 81.181 4.579 -13.145 598 2HZ LYS 79 HZ3 LYS 79 81.811 3.193 -13.891 599 3HZ LYS 79 HZ2 LYS 79 80.312 3.120 -13.093 600 H GLU 80 HN GLU 80 84.968 8.044 -8.590 601 HA GLU 80 HA GLU 80 87.806 8.349 -8.808 602 1HB GLU 80 2HB GLU 80 86.067 10.080 -9.395 603 2HB GLU 80 3HB GLU 80 85.825 10.331 -7.666 604 1HG GLU 80 2HG GLU 80 88.230 10.896 -7.431 605 2HG GLU 80 3HG GLU 80 88.424 10.716 -9.175 606 H LEU 81 HN LEU 81 85.595 8.226 -6.032 607 HA LEU 81 HA LEU 81 87.416 9.071 -4.020 608 1HB LEU 81 2HB LEU 81 84.999 8.761 -3.606 609 2HB LEU 81 3HB LEU 81 85.193 7.017 -3.790 610 HG LEU 81 HG LEU 81 86.993 8.381 -1.838 611 1HD1 LEU 81 HD11 LEU 81 84.759 9.394 -1.415 612 2HD1 LEU 81 HD13 LEU 81 84.084 7.773 -1.238 613 3HD1 LEU 81 HD12 LEU 81 85.288 8.359 -0.091 614 1HD2 LEU 81 HD21 LEU 81 85.499 5.746 -2.012 615 2HD2 LEU 81 HD23 LEU 81 87.242 5.998 -2.086 616 3HD2 LEU 81 HD22 LEU 81 86.384 6.239 -0.570 617 H VAL 82 HN VAL 82 86.753 5.771 -5.254 618 HA VAL 82 HA VAL 82 88.569 4.485 -3.472 619 HB VAL 82 HB VAL 82 87.693 3.661 -6.252 620 1HG1 VAL 82 HG12 VAL 82 89.021 2.097 -4.021 621 2HG1 VAL 82 HG11 VAL 82 88.303 1.371 -5.459 622 3HG1 VAL 82 HG13 VAL 82 89.696 2.438 -5.617 623 1HG2 VAL 82 HG22 VAL 82 86.631 3.088 -3.476 624 2HG2 VAL 82 HG21 VAL 82 85.786 3.889 -4.803 625 3HG2 VAL 82 HG23 VAL 82 86.157 2.168 -4.905 626 H LEU 83 HN LEU 83 89.057 5.859 -6.729 627 HA LEU 83 HA LEU 83 91.749 4.965 -7.038 628 1HB LEU 83 2HB LEU 83 90.278 7.348 -8.173 629 2HB LEU 83 3HB LEU 83 91.924 6.924 -8.644 630 HG LEU 83 HG LEU 83 89.632 4.959 -8.780 631 1HD1 LEU 83 HD12 LEU 83 90.648 6.972 -10.789 632 2HD1 LEU 83 HD11 LEU 83 89.804 5.508 -11.292 633 3HD1 LEU 83 HD13 LEU 83 88.984 6.690 -10.272 634 1HD2 LEU 83 HD21 LEU 83 92.491 5.073 -9.747 635 2HD2 LEU 83 HD23 LEU 83 91.680 3.789 -8.857 636 3HD2 LEU 83 HD22 LEU 83 91.314 4.038 -10.560 637 H HIS 84 HN HIS 84 90.500 8.026 -5.651 638 HA HIS 84 HA HIS 84 93.083 9.188 -5.227 639 1HB HIS 84 2HB HIS 84 90.360 9.671 -4.059 640 2HB HIS 84 3HB HIS 84 91.762 10.502 -3.391 641 HD1 HIS 84 HD1 HIS 84 89.596 10.315 -6.437 642 HD2 HIS 84 HD2 HIS 84 92.992 12.386 -5.187 643 HE1 HIS 84 HE1 HIS 84 89.953 12.179 -8.110 644 H TYR 85 HN TYR 85 91.038 7.224 -3.029 645 HA TYR 85 HA TYR 85 92.869 7.456 -0.832 646 1HB TYR 85 2HB TYR 85 90.662 5.526 -1.500 647 2HB TYR 85 3HB TYR 85 91.733 5.208 -0.139 648 HD1 TYR 85 HD2 TYR 85 89.709 7.982 -1.624 649 HD2 TYR 85 HD1 TYR 85 91.223 6.149 1.957 650 HE1 TYR 85 HE2 TYR 85 88.438 9.607 -0.252 651 HE2 TYR 85 HE1 TYR 85 89.952 7.780 3.329 652 HH TYR 85 HH TYR 85 88.953 10.454 2.561 653 H GLN 86 HN GLN 86 92.839 5.531 -3.705 654 HA GLN 86 HA GLN 86 94.634 3.467 -2.815 655 1HB GLN 86 2HB GLN 86 93.408 3.043 -4.818 656 2HB GLN 86 3HB GLN 86 93.925 4.567 -5.544 657 1HG GLN 86 2HG GLN 86 96.155 3.795 -5.838 658 2HG GLN 86 3HG GLN 86 95.897 2.421 -4.770 659 1HE2 GLN 86 HE22 GLN 86 95.602 1.449 -8.470 660 2HE2 GLN 86 HE21 GLN 86 96.757 2.400 -7.668 661 H HIS 87 HN HIS 87 95.102 6.714 -4.110 662 HA HIS 87 HA HIS 87 98.041 6.307 -4.157 663 1HB HIS 87 2HB HIS 87 96.331 8.670 -5.001 664 2HB HIS 87 3HB HIS 87 98.086 8.597 -5.149 665 HD1 HIS 87 HD1 HIS 87 94.939 7.006 -6.491 666 HD2 HIS 87 HD2 HIS 87 99.031 7.019 -7.292 667 HE1 HIS 87 HE1 HIS 87 95.239 5.804 -8.700 668 H THR 88 HN THR 88 95.598 7.452 -2.082 669 HA THR 88 HA THR 88 97.573 9.050 -0.506 670 HB THR 88 HB THR 88 94.547 8.954 -0.292 671 HG1 THR 88 HG1 THR 88 94.530 10.511 -1.696 672 1HG2 THR 88 HG21 THR 88 96.717 10.392 1.176 673 2HG2 THR 88 HG23 THR 88 95.195 11.237 0.894 674 3HG2 THR 88 HG22 THR 88 95.206 9.717 1.786 675 H SER 89 HN SER 89 98.280 8.200 1.416 676 HA SER 89 HA SER 89 97.402 5.554 2.214 677 1HB SER 89 2HB SER 89 99.732 6.517 2.538 678 2HB SER 89 3HB SER 89 99.059 7.512 3.824 679 HG SER 89 HG SER 89 99.956 5.134 4.120 680 H LEU 90 HN LEU 90 95.982 5.027 3.888 681 HA LEU 90 HA LEU 90 94.034 7.010 4.656 682 1HB LEU 90 2HB LEU 90 94.553 4.161 5.496 683 2HB LEU 90 3HB LEU 90 93.302 5.133 6.275 684 HG LEU 90 HG LEU 90 92.477 5.654 3.889 685 1HD1 LEU 90 HD12 LEU 90 94.407 3.387 3.383 686 2HD1 LEU 90 HD11 LEU 90 93.036 3.687 2.319 687 3HD1 LEU 90 HD13 LEU 90 94.276 4.924 2.527 688 1HD2 LEU 90 HD23 LEU 90 92.025 3.432 5.652 689 2HD2 LEU 90 HD22 LEU 90 90.879 4.221 4.570 690 3HD2 LEU 90 HD21 LEU 90 91.861 2.882 3.990 691 H VAL 91 HN VAL 91 97.098 6.180 5.992 692 HA VAL 91 HA VAL 91 97.457 6.325 8.563 693 HB VAL 91 HB VAL 91 98.159 8.702 6.803 694 1HG1 VAL 91 HG12 VAL 91 98.195 9.258 9.252 695 2HG1 VAL 91 HG11 VAL 91 99.329 7.929 9.490 696 3HG1 VAL 91 HG13 VAL 91 99.786 9.315 8.499 697 1HG2 VAL 91 HG22 VAL 91 99.630 6.204 7.691 698 2HG2 VAL 91 HG21 VAL 91 99.117 6.611 6.054 699 3HG2 VAL 91 HG23 VAL 91 100.393 7.546 6.831 700 H GLN 92 HN GLN 92 96.212 9.364 7.177 701 HA GLN 92 HA GLN 92 95.036 11.123 8.229 702 1HB GLN 92 2HB GLN 92 93.276 8.692 8.534 703 2HB GLN 92 3HB GLN 92 92.716 10.357 8.730 704 1HG GLN 92 2HG GLN 92 93.391 10.911 6.472 705 2HG GLN 92 3HG GLN 92 94.081 9.299 6.249 706 1HE2 GLN 92 HE22 GLN 92 90.668 9.191 4.820 707 2HE2 GLN 92 HE21 GLN 92 92.124 9.987 4.464 708 H HIS 93 HN HIS 93 92.950 10.411 10.352 709 HA HIS 93 HA HIS 93 94.284 11.412 12.610 710 1HB HIS 93 2HB HIS 93 91.796 11.213 12.340 711 2HB HIS 93 3HB HIS 93 91.947 9.480 12.636 712 HD1 HIS 93 HD1 HIS 93 92.936 12.743 14.373 713 HD2 HIS 93 HD2 HIS 93 91.773 8.850 15.304 714 HE1 HIS 93 HE1 HIS 93 92.743 12.634 16.899 715 H ASN 94 HN ASN 94 93.565 8.016 11.782 716 HA ASN 94 HA ASN 94 95.162 6.959 13.969 717 1HB ASN 94 2HB ASN 94 94.248 5.704 11.350 718 2HB ASN 94 3HB ASN 94 95.049 4.818 12.647 719 1HD2 ASN 94 HD22 ASN 94 91.921 6.119 14.621 720 2HD2 ASN 94 HD21 ASN 94 93.420 6.902 14.464 721 H ASP 95 HN ASP 95 97.076 8.308 13.675 722 HA ASP 95 HA ASP 95 98.605 8.693 11.414 723 1HB ASP 95 2HB ASP 95 99.168 9.507 13.717 724 2HB ASP 95 3HB ASP 95 99.754 7.887 14.100 725 H SER 96 HN SER 96 97.723 5.699 12.733 726 HA SER 96 HA SER 96 100.032 4.358 11.458 727 1HB SER 96 2HB SER 96 99.280 2.330 12.644 728 2HB SER 96 3HB SER 96 99.487 3.671 13.767 729 HG SER 96 HG SER 96 97.207 4.029 13.562 730 H LEU 97 HN LEU 97 97.123 5.395 10.329 731 HA LEU 97 HA LEU 97 96.326 2.894 9.042 732 1HB LEU 97 2HB LEU 97 95.400 5.726 8.945 733 2HB LEU 97 3HB LEU 97 95.082 4.720 7.531 734 HG LEU 97 HG LEU 97 94.440 3.784 10.323 735 1HD1 LEU 97 HD13 LEU 97 93.259 5.997 9.342 736 2HD1 LEU 97 HD12 LEU 97 92.286 4.782 8.511 737 3HD1 LEU 97 HD11 LEU 97 92.364 4.795 10.272 738 1HD2 LEU 97 HD22 LEU 97 94.392 2.642 7.697 739 2HD2 LEU 97 HD21 LEU 97 93.895 1.900 9.218 740 3HD2 LEU 97 HD23 LEU 97 92.728 2.803 8.255 741 H ASN 98 HN ASN 98 98.979 3.126 8.614 742 HA ASN 98 HA ASN 98 99.567 4.527 6.137 743 1HB ASN 98 2HB ASN 98 101.206 4.016 7.994 744 2HB ASN 98 3HB ASN 98 101.179 2.336 7.452 745 1HD2 ASN 98 HD22 ASN 98 103.948 4.247 5.715 746 2HD2 ASN 98 HD21 ASN 98 103.530 4.043 7.350 747 H VAL 99 HN VAL 99 97.841 3.583 4.832 748 HA VAL 99 HA VAL 99 98.796 1.277 3.321 749 HB VAL 99 HB VAL 99 97.645 0.090 5.123 750 1HG1 VAL 99 HG12 VAL 99 96.170 2.182 5.608 751 2HG1 VAL 99 HG11 VAL 99 95.090 1.514 4.381 752 3HG1 VAL 99 HG13 VAL 99 95.453 0.588 5.837 753 1HG2 VAL 99 HG21 VAL 99 97.208 -0.334 2.491 754 2HG2 VAL 99 HG23 VAL 99 96.465 -1.318 3.753 755 3HG2 VAL 99 HG22 VAL 99 95.554 -0.006 3.009 756 H THR 100 HN THR 100 97.348 0.917 1.396 757 HA THR 100 HA THR 100 95.666 3.326 0.850 758 HB THR 100 HB THR 100 96.563 3.439 -1.403 759 HG1 THR 100 HG1 THR 100 97.956 1.122 -0.579 760 1HG2 THR 100 HG21 THR 100 98.164 3.774 0.965 761 2HG2 THR 100 HG23 THR 100 99.195 3.264 -0.372 762 3HG2 THR 100 HG22 THR 100 98.199 4.708 -0.525 763 H LEU 101 HN LEU 101 93.959 2.951 -0.730 764 HA LEU 101 HA LEU 101 92.966 0.162 -0.639 765 1HB LEU 101 2HB LEU 101 91.610 2.520 -1.966 766 2HB LEU 101 3HB LEU 101 90.864 1.063 -1.299 767 HG LEU 101 HG LEU 101 92.311 3.181 0.313 768 1HD1 LEU 101 HD12 LEU 101 89.933 3.605 -0.746 769 2HD1 LEU 101 HD11 LEU 101 89.391 2.495 0.511 770 3HD1 LEU 101 HD13 LEU 101 90.204 3.995 0.955 771 1HD2 LEU 101 HD22 LEU 101 90.906 0.613 1.035 772 2HD2 LEU 101 HD21 LEU 101 92.563 1.060 1.411 773 3HD2 LEU 101 HD23 LEU 101 91.218 1.865 2.215 774 H ALA 102 HN ALA 102 95.165 0.128 -2.135 775 HA ALA 102 HA ALA 102 94.550 0.633 -4.956 776 1HB ALA 102 HB2 ALA 102 96.817 0.853 -3.559 777 2HB ALA 102 HB1 ALA 102 97.009 -0.805 -4.122 778 3HB ALA 102 HB3 ALA 102 96.816 0.500 -5.291 779 H TYR 103 HN TYR 103 94.376 -2.123 -2.818 780 HA TYR 103 HA TYR 103 94.234 -3.828 -5.270 781 1HB TYR 103 2HB TYR 103 96.061 -4.462 -3.759 782 2HB TYR 103 3HB TYR 103 94.907 -4.656 -2.438 783 HD1 TYR 103 HD2 TYR 103 95.713 -5.839 -5.871 784 HD2 TYR 103 HD1 TYR 103 93.719 -6.670 -2.175 785 HE1 TYR 103 HE2 TYR 103 95.235 -8.143 -6.652 786 HE2 TYR 103 HE1 TYR 103 93.235 -8.981 -2.941 787 HH TYR 103 HH TYR 103 94.100 -10.604 -4.558 788 HA PRO 104 HA PRO 104 89.846 -3.907 -4.029 789 1HB PRO 104 2HB PRO 104 89.662 -5.787 -6.288 790 2HB PRO 104 3HB PRO 104 88.797 -4.271 -6.003 791 1HG PRO 104 2HG PRO 104 90.739 -4.542 -7.866 792 2HG PRO 104 3HG PRO 104 90.358 -3.015 -7.060 793 1HD PRO 104 2HD PRO 104 92.686 -4.822 -6.667 794 2HD PRO 104 3HD PRO 104 92.551 -3.070 -6.404 795 H VAL 105 HN VAL 105 88.655 -5.522 -2.923 796 HA VAL 105 HA VAL 105 90.162 -7.786 -1.961 797 HB VAL 105 HB VAL 105 88.380 -6.712 -0.625 798 1HG1 VAL 105 HG12 VAL 105 86.939 -6.954 -3.045 799 2HG1 VAL 105 HG11 VAL 105 86.136 -8.030 -1.902 800 3HG1 VAL 105 HG13 VAL 105 86.334 -6.326 -1.513 801 1HG2 VAL 105 HG21 VAL 105 89.040 -9.097 -0.243 802 2HG2 VAL 105 HG23 VAL 105 87.356 -8.792 0.184 803 3HG2 VAL 105 HG22 VAL 105 87.749 -9.601 -1.332 804 H TYR 106 HN TYR 106 88.105 -7.240 -4.705 805 HA TYR 106 HA TYR 106 88.387 -10.124 -5.414 806 1HB TYR 106 2HB TYR 106 85.976 -8.339 -5.789 807 2HB TYR 106 3HB TYR 106 86.194 -9.846 -6.681 808 HD1 TYR 106 HD1 TYR 106 86.794 -11.949 -5.232 809 HD2 TYR 106 HD2 TYR 106 84.921 -8.400 -3.702 810 HE1 TYR 106 HE1 TYR 106 85.949 -13.237 -3.293 811 HE2 TYR 106 HE2 TYR 106 84.077 -9.685 -1.760 812 HH TYR 106 HH TYR 106 83.645 -12.644 -1.557 813 H ALA 107 HN ALA 107 90.382 -8.715 -6.312 814 HA ALA 107 HA ALA 107 89.873 -7.140 -8.676 815 1HB ALA 107 HB2 ALA 107 92.052 -7.346 -7.206 816 2HB ALA 107 HB1 ALA 107 92.429 -8.673 -8.309 817 3HB ALA 107 HB3 ALA 107 92.188 -7.045 -8.936 818 H GLN 108 HN GLN 108 89.433 -10.396 -8.086 819 HA GLN 108 HA GLN 108 89.987 -11.111 -10.931 820 1HB GLN 108 2HB GLN 108 89.597 -12.889 -8.500 821 2HB GLN 108 3HB GLN 108 89.830 -13.477 -10.144 822 1HG GLN 108 2HG GLN 108 92.028 -12.552 -10.265 823 2HG GLN 108 3HG GLN 108 91.792 -11.630 -8.778 824 1HE2 GLN 108 HE22 GLN 108 93.697 -14.578 -7.679 825 2HE2 GLN 108 HE21 GLN 108 93.975 -13.142 -8.541 826 H GLN 109 HN GLN 109 88.285 -11.763 -12.241 827 HA GLN 109 HA GLN 109 85.588 -11.117 -11.506 828 1HB GLN 109 2HB GLN 109 84.964 -12.112 -13.639 829 2HB GLN 109 3HB GLN 109 86.464 -11.214 -13.865 830 1HG GLN 109 2HG GLN 109 87.770 -13.287 -13.679 831 2HG GLN 109 3HG GLN 109 86.298 -14.208 -13.359 832 1HE2 GLN 109 HE22 GLN 109 87.356 -13.713 -17.154 833 2HE2 GLN 109 HE21 GLN 109 88.415 -13.562 -15.837 834 H ARG 110 HN ARG 110 83.877 -12.480 -10.906 835 HA ARG 110 HA ARG 110 84.688 -15.021 -9.638 836 1HB ARG 110 2HB ARG 110 82.025 -13.555 -9.677 837 2HB ARG 110 3HB ARG 110 82.387 -14.984 -8.705 838 1HG ARG 110 2HG ARG 110 84.150 -13.764 -7.516 839 2HG ARG 110 3HG ARG 110 83.875 -12.347 -8.530 840 1HD ARG 110 2HD ARG 110 82.586 -11.800 -6.684 841 2HD ARG 110 3HD ARG 110 81.390 -12.617 -7.688 842 HE ARG 110 HE ARG 110 82.499 -14.654 -6.155 843 1HH1 ARG 110 HH11 ARG 110 81.006 -11.598 -5.604 844 2HH1 ARG 110 HH12 ARG 110 80.362 -12.036 -4.058 845 1HH2 ARG 110 NH2 ARG 110 80.700 -14.110 -3.236 846 1HH2 ARG 110 HH21 ARG 110 80.700 -14.110 -3.236 847 1HH2 ARG 110 HH22 ARG 110 80.700 -14.110 -3.236 848 2HH2 ARG 110 NH2 ARG 110 80.700 -14.110 -3.236 849 2HH2 ARG 110 HH21 ARG 110 80.700 -14.110 -3.236 850 2HH2 ARG 110 HH22 ARG 110 80.700 -14.110 -3.236 851 H ARG 111 HN ARG 111 84.280 -16.987 -10.578 852 HA ARG 111 HA ARG 111 82.684 -16.972 -13.101 853 1HB ARG 111 2HB ARG 111 85.033 -17.777 -13.297 854 2HB ARG 111 3HB ARG 111 84.694 -19.025 -12.098 855 1HG ARG 111 2HG ARG 111 84.379 -20.192 -14.103 856 2HG ARG 111 3HG ARG 111 82.734 -19.677 -13.726 857 1HD ARG 111 2HD ARG 111 82.969 -17.749 -15.226 858 2HD ARG 111 3HD ARG 111 84.642 -18.186 -15.560 859 HE ARG 111 HE ARG 111 83.195 -20.450 -16.274 860 1HH1 ARG 111 HH21 ARG 111 83.154 -17.085 -16.994 861 2HH1 ARG 111 HH22 ARG 111 82.526 -17.291 -18.598 862 1HH2 ARG 111 HH11 ARG 111 82.337 -20.754 -18.358 863 2HH2 ARG 111 HH12 ARG 111 82.060 -19.376 -19.371 No H/Q in entry = 859 Start of MODEL 13 1 1H GLU 1 HT1 GLU 1 95.381 -3.515 -19.468 2 2H GLU 1 HT3 GLU 1 96.277 -4.506 -18.421 3 3H GLU 1 HT2 GLU 1 96.191 -4.878 -20.078 4 HA GLU 1 HA GLU 1 94.092 -5.706 -19.962 5 1HB GLU 1 2HB GLU 1 95.288 -6.134 -17.204 6 2HB GLU 1 3HB GLU 1 93.910 -7.036 -17.839 7 1HG GLU 1 2HG GLU 1 95.286 -7.796 -19.743 8 2HG GLU 1 3HG GLU 1 96.671 -6.920 -19.088 9 H ASP 2 HN ASP 2 92.126 -6.006 -18.232 10 HA ASP 2 HA ASP 2 90.981 -3.370 -18.031 11 1HB ASP 2 2HB ASP 2 90.114 -6.076 -16.992 12 2HB ASP 2 3HB ASP 2 89.154 -4.616 -16.750 13 H LEU 3 HN LEU 3 90.587 -2.109 -16.162 14 HA LEU 3 HA LEU 3 92.514 -2.567 -13.986 15 1HB LEU 3 2HB LEU 3 91.946 -0.306 -15.162 16 2HB LEU 3 3HB LEU 3 90.529 -0.307 -14.116 17 HG LEU 3 HG LEU 3 92.061 -0.582 -12.146 18 1HD1 LEU 3 HD13 LEU 3 93.984 -0.787 -14.344 19 2HD1 LEU 3 HD12 LEU 3 94.460 0.408 -13.137 20 3HD1 LEU 3 HD11 LEU 3 94.161 -1.263 -12.656 21 1HD2 LEU 3 HD23 LEU 3 92.107 1.790 -13.987 22 2HD2 LEU 3 HD22 LEU 3 91.368 1.635 -12.398 23 3HD2 LEU 3 HD21 LEU 3 93.113 1.816 -12.540 24 HA PRO 4 HA PRO 4 89.448 -4.776 -11.567 25 1HB PRO 4 2HB PRO 4 90.982 -3.625 -9.281 26 2HB PRO 4 3HB PRO 4 90.543 -5.311 -9.609 27 1HG PRO 4 2HG PRO 4 93.030 -4.371 -9.976 28 2HG PRO 4 3HG PRO 4 92.335 -5.656 -10.975 29 1HD PRO 4 2HD PRO 4 92.887 -2.829 -11.681 30 2HD PRO 4 3HD PRO 4 92.757 -4.262 -12.727 31 H HIS 5 HN HIS 5 90.193 -1.395 -11.268 32 HA HIS 5 HA HIS 5 88.130 -0.712 -9.358 33 1HB HIS 5 2HB HIS 5 89.585 0.972 -11.407 34 2HB HIS 5 3HB HIS 5 88.575 1.614 -10.109 35 HD1 HIS 5 HD1 HIS 5 89.420 -0.371 -7.883 36 HD2 HIS 5 HD2 HIS 5 92.117 1.627 -10.351 37 HE1 HIS 5 HE1 HIS 5 91.636 -0.385 -6.667 38 H HIS 6 HN HIS 6 88.232 -1.115 -12.844 39 HA HIS 6 HA HIS 6 85.723 0.201 -13.397 40 1HB HIS 6 2HB HIS 6 87.253 -1.972 -14.860 41 2HB HIS 6 3HB HIS 6 85.811 -1.185 -15.509 42 HD1 HIS 6 HD1 HIS 6 86.163 1.692 -15.051 43 HD2 HIS 6 HD2 HIS 6 89.444 -0.717 -15.959 44 HE1 HIS 6 HE1 HIS 6 87.974 3.243 -15.904 45 H ASP 7 HN ASP 7 86.669 -2.798 -12.015 46 HA ASP 7 HA ASP 7 83.967 -3.966 -12.297 47 1HB ASP 7 2HB ASP 7 86.557 -5.077 -11.165 48 2HB ASP 7 3HB ASP 7 85.028 -5.955 -11.178 49 H GLU 8 HN GLU 8 82.561 -3.276 -10.783 50 HA GLU 8 HA GLU 8 83.362 -2.012 -8.331 51 1HB GLU 8 2HB GLU 8 81.212 -1.646 -9.644 52 2HB GLU 8 3HB GLU 8 80.646 -3.171 -8.965 53 1HG GLU 8 2HG GLU 8 81.335 -2.145 -6.686 54 2HG GLU 8 3HG GLU 8 81.291 -0.607 -7.539 55 H LYS 9 HN LYS 9 82.380 -5.328 -9.125 56 HA LYS 9 HA LYS 9 81.989 -6.132 -6.386 57 1HB LYS 9 2HB LYS 9 81.548 -8.248 -7.226 58 2HB LYS 9 3HB LYS 9 81.194 -7.236 -8.622 59 1HG LYS 9 2HG LYS 9 83.802 -8.703 -8.128 60 2HG LYS 9 3HG LYS 9 82.552 -9.170 -9.279 61 1HD LYS 9 2HD LYS 9 83.993 -6.511 -9.343 62 2HD LYS 9 3HD LYS 9 84.444 -7.901 -10.326 63 1HE LYS 9 2HE LYS 9 81.963 -6.208 -10.469 64 2HE LYS 9 3HE LYS 9 83.048 -6.701 -11.768 65 1HZ LYS 9 HZ1 LYS 9 81.236 -8.518 -10.262 66 2HZ LYS 9 HZ3 LYS 9 80.953 -7.928 -11.827 67 3HZ LYS 9 HZ2 LYS 9 82.264 -8.969 -11.538 68 H THR 10 HN THR 10 84.845 -5.522 -8.169 69 HA THR 10 HA THR 10 86.578 -7.448 -6.949 70 HB THR 10 HB THR 10 88.357 -5.639 -7.461 71 HG1 THR 10 HG1 THR 10 86.068 -4.509 -8.687 72 1HG2 THR 10 HG22 THR 10 86.535 -6.724 -9.620 73 2HG2 THR 10 HG21 THR 10 88.148 -6.070 -9.906 74 3HG2 THR 10 HG23 THR 10 87.947 -7.530 -8.936 75 H TRP 11 HN TRP 11 85.427 -4.262 -5.919 76 HA TRP 11 HA TRP 11 86.722 -4.786 -3.279 77 1HB TRP 11 2HB TRP 11 86.197 -2.134 -3.173 78 2HB TRP 11 3HB TRP 11 87.717 -2.787 -3.790 79 HD1 TRP 11 HD1 TRP 11 87.622 -3.424 -6.511 80 HE1 TRP 11 HE1 TRP 11 86.585 -2.049 -8.435 81 HE3 TRP 11 HE3 TRP 11 84.504 -0.405 -3.829 82 HZ2 TRP 11 HZ2 TRP 11 84.707 0.104 -8.764 83 HZ3 TRP 11 HZ3 TRP 11 83.109 1.296 -4.965 84 HH2 TRP 11 HH2 TRP 11 83.206 1.551 -7.425 85 H ASN 12 HN ASN 12 83.745 -3.936 -4.949 86 HA ASN 12 HA ASN 12 82.326 -3.422 -2.424 87 1HB ASN 12 2HB ASN 12 81.830 -2.233 -4.615 88 2HB ASN 12 3HB ASN 12 81.098 -3.742 -5.169 89 1HD2 ASN 12 HD22 ASN 12 78.126 -2.362 -3.765 90 2HD2 ASN 12 HD21 ASN 12 78.960 -2.673 -5.211 91 H VAL 13 HN VAL 13 81.562 -5.021 -1.208 92 HA VAL 13 HA VAL 13 80.400 -7.420 -2.513 93 HB VAL 13 HB VAL 13 82.803 -7.872 -1.783 94 1HG1 VAL 13 HG13 VAL 13 81.987 -6.543 0.506 95 2HG1 VAL 13 HG12 VAL 13 81.973 -8.234 1.000 96 3HG1 VAL 13 HG11 VAL 13 83.450 -7.520 0.362 97 1HG2 VAL 13 HG22 VAL 13 80.353 -9.375 -1.008 98 2HG2 VAL 13 HG21 VAL 13 81.708 -9.885 -2.015 99 3HG2 VAL 13 HG23 VAL 13 81.856 -9.910 -0.257 100 H GLY 14 HN GLY 14 79.307 -5.043 -1.229 101 1HA GLY 14 2HA GLY 14 78.510 -5.100 1.389 102 2HA GLY 14 3HA GLY 14 77.380 -4.685 0.102 103 H SER 15 HN SER 15 77.808 -7.544 -0.961 104 HA SER 15 HA SER 15 75.486 -8.727 0.216 105 1HB SER 15 2HB SER 15 76.132 -10.748 -0.984 106 2HB SER 15 3HB SER 15 76.453 -9.358 -2.017 107 HG SER 15 HG SER 15 78.618 -9.492 -1.467 108 H SER 16 HN SER 16 78.743 -8.505 1.262 109 HA SER 16 HA SER 16 78.520 -10.842 3.061 110 1HB SER 16 2HB SER 16 80.762 -8.858 2.652 111 2HB SER 16 3HB SER 16 80.852 -10.311 3.639 112 HG SER 16 HG SER 16 80.011 -10.522 0.970 113 H ASN 17 HN ASN 17 78.484 -10.677 5.297 114 HA ASN 17 HA ASN 17 77.412 -8.188 6.397 115 1HB ASN 17 2HB ASN 17 77.224 -9.464 8.470 116 2HB ASN 17 3HB ASN 17 76.642 -10.448 7.123 117 1HD2 ASN 17 HD22 ASN 17 78.871 -12.779 8.790 118 2HD2 ASN 17 HD21 ASN 17 77.289 -12.181 8.905 119 H ARG 18 HN ARG 18 78.431 -7.299 8.467 120 HA ARG 18 HA ARG 18 81.104 -6.471 7.953 121 1HB ARG 18 2HB ARG 18 79.368 -6.354 10.420 122 2HB ARG 18 3HB ARG 18 81.020 -5.738 10.425 123 1HG ARG 18 2HG ARG 18 80.477 -4.247 8.527 124 2HG ARG 18 3HG ARG 18 78.818 -4.852 8.524 125 1HD ARG 18 2HD ARG 18 80.149 -3.489 10.889 126 2HD ARG 18 3HD ARG 18 79.056 -2.686 9.759 127 HE ARG 18 HE ARG 18 77.566 -4.825 10.634 128 1HH1 ARG 18 HH21 ARG 18 79.386 -2.300 12.121 129 2HH1 ARG 18 HH22 ARG 18 78.404 -2.257 13.546 130 1HH2 ARG 18 HH11 ARG 18 76.293 -4.787 12.500 131 2HH2 ARG 18 HH12 ARG 18 76.657 -3.652 13.756 132 H ASN 19 HN ASN 19 79.883 -9.083 10.087 133 HA ASN 19 HA ASN 19 82.415 -9.711 11.278 134 1HB ASN 19 2HB ASN 19 79.922 -11.346 10.763 135 2HB ASN 19 3HB ASN 19 81.338 -12.038 11.558 136 1HD2 ASN 19 HD22 ASN 19 80.894 -9.248 14.130 137 2HD2 ASN 19 HD21 ASN 19 82.014 -9.423 12.867 138 H LYS 20 HN LYS 20 80.805 -10.965 8.366 139 HA LYS 20 HA LYS 20 82.821 -12.861 7.675 140 1HB LYS 20 2HB LYS 20 80.558 -12.745 6.600 141 2HB LYS 20 3HB LYS 20 81.073 -11.278 5.765 142 1HG LYS 20 2HG LYS 20 81.499 -12.972 4.189 143 2HG LYS 20 3HG LYS 20 83.074 -12.713 4.938 144 1HD LYS 20 2HD LYS 20 82.749 -14.639 6.402 145 2HD LYS 20 3HD LYS 20 81.105 -14.853 5.808 146 1HE LYS 20 2HE LYS 20 83.545 -14.989 4.014 147 2HE LYS 20 3HE LYS 20 82.812 -16.409 4.758 148 1HZ LYS 20 HZ1 LYS 20 80.873 -14.745 3.494 149 2HZ LYS 20 HZ3 LYS 20 82.065 -15.245 2.398 150 3HZ LYS 20 HZ2 LYS 20 81.180 -16.402 3.272 151 H ALA 21 HN ALA 21 82.520 -9.388 7.078 152 HA ALA 21 HA ALA 21 84.637 -9.089 5.203 153 1HB ALA 21 HB1 ALA 21 82.920 -7.330 6.129 154 2HB ALA 21 HB3 ALA 21 84.135 -7.061 7.378 155 3HB ALA 21 HB2 ALA 21 84.537 -6.784 5.683 156 H GLU 22 HN GLU 22 84.616 -9.353 8.731 157 HA GLU 22 HA GLU 22 87.312 -8.650 9.257 158 1HB GLU 22 2HB GLU 22 85.489 -10.662 10.603 159 2HB GLU 22 3HB GLU 22 87.066 -10.199 11.242 160 1HG GLU 22 2HG GLU 22 86.376 -7.874 11.412 161 2HG GLU 22 3HG GLU 22 84.838 -8.239 10.634 162 H ASN 23 HN ASN 23 85.887 -11.810 8.409 163 HA ASN 23 HA ASN 23 88.332 -13.271 8.475 164 1HB ASN 23 2HB ASN 23 85.797 -13.667 6.872 165 2HB ASN 23 3HB ASN 23 87.143 -14.809 6.847 166 1HD2 ASN 23 HD22 ASN 23 84.771 -15.853 9.562 167 2HD2 ASN 23 HD21 ASN 23 84.611 -15.616 7.888 168 H LEU 24 HN LEU 24 86.701 -11.407 5.984 169 HA LEU 24 HA LEU 24 88.577 -11.938 3.865 170 1HB LEU 24 2HB LEU 24 86.574 -9.709 4.342 171 2HB LEU 24 3HB LEU 24 87.552 -9.815 2.880 172 HG LEU 24 HG LEU 24 85.761 -12.054 3.861 173 1HD1 LEU 24 HD13 LEU 24 85.216 -9.633 2.209 174 2HD1 LEU 24 HD12 LEU 24 84.542 -11.156 1.625 175 3HD1 LEU 24 HD11 LEU 24 84.123 -10.563 3.232 176 1HD2 LEU 24 HD23 LEU 24 87.691 -11.650 1.669 177 2HD2 LEU 24 HD22 LEU 24 87.082 -13.150 2.369 178 3HD2 LEU 24 HD21 LEU 24 86.137 -12.299 1.147 179 H LEU 25 HN LEU 25 88.287 -9.421 6.346 180 HA LEU 25 HA LEU 25 90.665 -7.998 5.354 181 1HB LEU 25 2HB LEU 25 88.958 -7.725 7.841 182 2HB LEU 25 3HB LEU 25 90.341 -6.688 7.501 183 HG LEU 25 HG LEU 25 88.419 -6.944 5.272 184 1HD1 LEU 25 HD11 LEU 25 86.958 -6.923 7.351 185 2HD1 LEU 25 HD13 LEU 25 87.652 -5.349 7.735 186 3HD1 LEU 25 HD12 LEU 25 86.706 -5.559 6.260 187 1HD2 LEU 25 HD22 LEU 25 89.823 -4.664 6.708 188 2HD2 LEU 25 HD21 LEU 25 90.255 -5.365 5.149 189 3HD2 LEU 25 HD23 LEU 25 88.763 -4.441 5.313 190 H ARG 26 HN ARG 26 89.957 -10.632 7.419 191 HA ARG 26 HA ARG 26 92.486 -10.393 8.908 192 1HB ARG 26 2HB ARG 26 90.121 -12.260 9.093 193 2HB ARG 26 3HB ARG 26 91.593 -12.517 10.036 194 1HG ARG 26 2HG ARG 26 90.509 -9.768 10.141 195 2HG ARG 26 3HG ARG 26 89.470 -10.996 10.862 196 1HD ARG 26 2HD ARG 26 92.415 -10.785 11.524 197 2HD ARG 26 3HD ARG 26 91.176 -9.912 12.428 198 HE ARG 26 HE ARG 26 90.275 -12.530 12.430 199 1HH1 ARG 26 HH21 ARG 26 93.160 -10.853 13.294 200 2HH1 ARG 26 HH22 ARG 26 93.606 -11.984 14.526 201 1HH2 ARG 26 HH11 ARG 26 90.853 -14.027 14.017 202 2HH2 ARG 26 HH12 ARG 26 92.314 -13.796 14.916 203 H GLY 27 HN GLY 27 91.049 -12.153 6.361 204 1HA GLY 27 2HA GLY 27 93.325 -14.043 6.213 205 2HA GLY 27 3HA GLY 27 91.849 -14.130 5.248 206 H LYS 28 HN LYS 28 92.969 -10.948 5.405 207 HA LYS 28 HA LYS 28 94.419 -11.261 2.800 208 1HB LYS 28 2HB LYS 28 92.407 -9.146 3.614 209 2HB LYS 28 3HB LYS 28 93.448 -9.007 2.197 210 1HG LYS 28 2HG LYS 28 91.610 -11.358 2.694 211 2HG LYS 28 3HG LYS 28 91.172 -9.966 1.699 212 1HD LYS 28 2HD LYS 28 93.565 -10.530 0.601 213 2HD LYS 28 3HD LYS 28 93.125 -12.149 1.148 214 1HE LYS 28 2HE LYS 28 91.347 -10.363 -0.537 215 2HE LYS 28 3HE LYS 28 92.343 -11.671 -1.177 216 1HZ LYS 28 HZ3 LYS 28 90.354 -12.098 0.974 217 2HZ LYS 28 HZ2 LYS 28 89.954 -12.232 -0.672 218 3HZ LYS 28 HZ1 LYS 28 91.118 -13.265 0.009 219 H ARG 29 HN ARG 29 96.185 -9.931 2.486 220 HA ARG 29 HA ARG 29 97.520 -8.953 4.884 221 1HB ARG 29 2HB ARG 29 98.268 -8.900 1.946 222 2HB ARG 29 3HB ARG 29 99.308 -8.272 3.223 223 1HG ARG 29 2HG ARG 29 99.320 -10.487 4.308 224 2HG ARG 29 3HG ARG 29 98.283 -11.118 3.030 225 1HD ARG 29 2HD ARG 29 100.011 -10.609 1.348 226 2HD ARG 29 3HD ARG 29 101.051 -9.936 2.605 227 HE ARG 29 HE ARG 29 100.552 -12.503 3.496 228 1HH1 ARG 29 HH21 ARG 29 101.647 -11.075 0.553 229 2HH1 ARG 29 HH22 ARG 29 102.661 -12.412 0.128 230 1HH2 ARG 29 HH11 ARG 29 101.870 -14.254 2.957 231 2HH2 ARG 29 HH12 ARG 29 102.785 -14.215 1.487 232 H ASP 30 HN ASP 30 98.487 -6.708 4.916 233 HA ASP 30 HA ASP 30 96.531 -4.690 4.852 234 1HB ASP 30 2HB ASP 30 98.360 -3.098 5.039 235 2HB ASP 30 3HB ASP 30 98.728 -4.519 6.016 236 H GLY 31 HN GLY 31 96.332 -2.837 3.394 237 1HA GLY 31 2HA GLY 31 96.556 -1.753 1.272 238 2HA GLY 31 3HA GLY 31 97.436 -3.157 0.673 239 H THR 32 HN THR 32 95.435 -5.085 1.606 240 HA THR 32 HA THR 32 93.608 -4.921 -0.669 241 HB THR 32 HB THR 32 93.562 -6.864 1.664 242 HG1 THR 32 HG1 THR 32 95.298 -7.649 0.840 243 1HG2 THR 32 HG23 THR 32 91.772 -6.483 -0.424 244 2HG2 THR 32 HG22 THR 32 92.800 -7.792 -1.006 245 3HG2 THR 32 HG21 THR 32 91.941 -7.959 0.526 246 H PHE 33 HN PHE 33 91.635 -3.908 -0.609 247 HA PHE 33 HA PHE 33 90.345 -3.627 2.058 248 1HB PHE 33 2HB PHE 33 90.308 -1.358 1.997 249 2HB PHE 33 3HB PHE 33 91.662 -1.549 0.891 250 HD1 PHE 33 HD1 PHE 33 91.354 -1.238 -1.540 251 HD2 PHE 33 HD2 PHE 33 88.105 -0.808 1.218 252 HE1 PHE 33 HE1 PHE 33 90.001 -0.092 -3.283 253 HE2 PHE 33 HE2 PHE 33 86.784 0.319 -0.531 254 HZ PHE 33 HZ PHE 33 87.712 0.667 -2.770 255 H LEU 34 HN LEU 34 87.995 -2.832 1.769 256 HA LEU 34 HA LEU 34 86.815 -3.656 -0.822 257 1HB LEU 34 2HB LEU 34 85.342 -5.308 0.135 258 2HB LEU 34 3HB LEU 34 86.987 -5.724 0.604 259 HG LEU 34 HG LEU 34 86.028 -3.951 2.588 260 1HD1 LEU 34 HD12 LEU 34 83.770 -4.678 1.551 261 2HD1 LEU 34 HD11 LEU 34 84.109 -6.251 2.274 262 3HD1 LEU 34 HD13 LEU 34 83.965 -4.823 3.295 263 1HD2 LEU 34 HD21 LEU 34 86.538 -6.933 2.474 264 2HD2 LEU 34 HD23 LEU 34 87.583 -5.679 3.142 265 3HD2 LEU 34 HD22 LEU 34 86.090 -6.118 3.970 266 H VAL 35 HN VAL 35 84.430 -3.268 -0.857 267 HA VAL 35 HA VAL 35 83.657 -1.016 0.952 268 HB VAL 35 HB VAL 35 83.051 -1.406 -2.000 269 1HG1 VAL 35 HG13 VAL 35 81.603 0.062 0.059 270 2HG1 VAL 35 HG12 VAL 35 82.212 1.145 -1.196 271 3HG1 VAL 35 HG11 VAL 35 81.169 -0.212 -1.628 272 1HG2 VAL 35 HG22 VAL 35 84.711 0.509 -0.379 273 2HG2 VAL 35 HG21 VAL 35 85.205 -0.466 -1.768 274 3HG2 VAL 35 HG23 VAL 35 84.152 0.933 -1.995 275 H ARG 36 HN ARG 36 81.964 -1.540 2.209 276 HA ARG 36 HA ARG 36 79.883 -3.386 1.121 277 1HB ARG 36 2HB ARG 36 79.741 -4.576 3.253 278 2HB ARG 36 3HB ARG 36 81.382 -4.698 2.625 279 1HG ARG 36 2HG ARG 36 82.002 -2.741 4.093 280 2HG ARG 36 3HG ARG 36 80.398 -2.852 4.818 281 1HD ARG 36 2HD ARG 36 82.394 -5.119 4.722 282 2HD ARG 36 3HD ARG 36 82.136 -4.095 6.127 283 HE ARG 36 HE ARG 36 80.567 -6.371 5.337 284 1HH1 ARG 36 HH21 ARG 36 80.206 -3.140 6.504 285 2HH1 ARG 36 HH22 ARG 36 78.571 -3.382 7.021 286 1HH2 ARG 36 HH11 ARG 36 78.458 -6.693 6.006 287 2HH2 ARG 36 HH12 ARG 36 77.590 -5.397 6.761 288 H GLU 37 HN GLU 37 77.995 -3.337 3.063 289 HA GLU 37 HA GLU 37 77.351 -0.447 3.213 290 1HB GLU 37 2HB GLU 37 75.656 -2.890 3.833 291 2HB GLU 37 3HB GLU 37 75.078 -1.224 3.819 292 1HG GLU 37 2HG GLU 37 75.964 -1.136 1.399 293 2HG GLU 37 3HG GLU 37 76.028 -2.894 1.502 294 H SER 38 HN SER 38 76.097 0.092 5.399 295 HA SER 38 HA SER 38 77.982 -0.482 7.560 296 1HB SER 38 2HB SER 38 75.346 0.996 7.417 297 2HB SER 38 3HB SER 38 76.196 0.747 8.939 298 HG SER 38 HG SER 38 77.289 1.975 6.615 299 H SER 39 HN SER 39 76.022 -2.352 6.043 300 HA SER 39 HA SER 39 75.469 -4.557 6.706 301 1HB SER 39 2HB SER 39 76.461 -3.961 9.022 302 2HB SER 39 3HB SER 39 74.810 -3.550 9.477 303 HG SER 39 HG SER 39 75.976 -5.977 9.176 304 H LYS 40 HN LYS 40 73.383 -2.388 8.736 305 HA LYS 40 HA LYS 40 71.109 -3.431 7.095 306 1HB LYS 40 2HB LYS 40 71.177 -2.414 9.945 307 2HB LYS 40 3HB LYS 40 69.683 -2.746 9.070 308 1HG LYS 40 2HG LYS 40 71.017 -5.067 8.610 309 2HG LYS 40 3HG LYS 40 71.678 -4.637 10.189 310 1HD LYS 40 2HD LYS 40 69.416 -4.402 11.100 311 2HD LYS 40 3HD LYS 40 68.723 -4.782 9.520 312 1HE LYS 40 2HE LYS 40 69.733 -7.005 9.572 313 2HE LYS 40 3HE LYS 40 70.528 -6.634 11.102 314 1HZ LYS 40 HZ2 LYS 40 67.597 -6.675 10.649 315 2HZ LYS 40 HZ1 LYS 40 68.492 -7.894 11.424 316 3HZ LYS 40 HZ3 LYS 40 68.374 -6.355 12.126 317 H GLN 41 HN GLN 41 72.221 -0.370 8.652 318 HA GLN 41 HA GLN 41 70.104 1.166 7.425 319 1HB GLN 41 2HB GLN 41 71.319 3.149 8.149 320 2HB GLN 41 3HB GLN 41 71.345 1.950 9.438 321 1HG GLN 41 2HG GLN 41 73.606 1.263 8.794 322 2HG GLN 41 3HG GLN 41 73.578 2.392 7.439 323 1HE2 GLN 41 HE22 GLN 41 73.431 5.224 9.883 324 2HE2 GLN 41 HE21 GLN 41 72.385 4.642 8.681 325 H GLY 42 HN GLY 42 70.425 2.851 5.743 326 1HA GLY 42 2HA GLY 42 71.777 1.701 3.436 327 2HA GLY 42 3HA GLY 42 70.864 3.208 3.452 328 H CYS 43 HN CYS 43 73.778 2.199 5.280 329 HA CYS 43 HA CYS 43 75.135 4.628 4.171 330 1HB CYS 43 2HB CYS 43 75.513 3.229 6.834 331 2HB CYS 43 3HB CYS 43 76.511 4.567 6.262 332 HG CYS 43 HG CYS 43 74.224 5.994 6.159 333 H TYR 44 HN TYR 44 77.440 4.372 3.678 334 HA TYR 44 HA TYR 44 78.161 1.524 3.115 335 1HB TYR 44 2HB TYR 44 78.933 4.044 1.632 336 2HB TYR 44 3HB TYR 44 79.575 2.441 1.273 337 HD1 TYR 44 HD1 TYR 44 78.023 0.621 0.493 338 HD2 TYR 44 HD2 TYR 44 76.767 4.700 0.941 339 HE1 TYR 44 HE1 TYR 44 76.043 0.168 -0.939 340 HE2 TYR 44 HE2 TYR 44 74.793 4.256 -0.485 341 HH TYR 44 HH TYR 44 74.472 2.012 -2.524 342 H ALA 45 HN ALA 45 80.370 0.906 3.365 343 HA ALA 45 HA ALA 45 82.160 2.816 4.761 344 1HB ALA 45 HB1 ALA 45 80.988 0.308 5.918 345 2HB ALA 45 HB3 ALA 45 82.622 0.783 6.383 346 3HB ALA 45 HB2 ALA 45 81.266 1.866 6.692 347 H CYS 46 HN CYS 46 84.300 2.510 4.097 348 HA CYS 46 HA CYS 46 84.807 0.091 2.424 349 1HB CYS 46 2HB CYS 46 86.552 2.574 2.659 350 2HB CYS 46 3HB CYS 46 86.733 1.263 1.484 351 HG CYS 46 HG CYS 46 84.402 1.994 0.456 352 H SER 47 HN SER 47 85.683 -1.559 3.539 353 HA SER 47 HA SER 47 87.213 -0.968 5.992 354 1HB SER 47 2HB SER 47 85.498 -2.764 6.026 355 2HB SER 47 3HB SER 47 86.425 -3.643 4.810 356 HG SER 47 HG SER 47 87.750 -2.757 7.100 357 H VAL 48 HN VAL 48 89.390 -1.388 6.241 358 HA VAL 48 HA VAL 48 90.819 -2.411 3.832 359 HB VAL 48 HB VAL 48 92.049 -0.330 5.600 360 1HG1 VAL 48 HG12 VAL 48 92.990 -1.624 3.475 361 2HG1 VAL 48 HG11 VAL 48 92.148 -0.328 2.626 362 3HG1 VAL 48 HG13 VAL 48 93.407 0.058 3.795 363 1HG2 VAL 48 HG22 VAL 48 89.986 0.245 3.447 364 2HG2 VAL 48 HG21 VAL 48 89.831 0.604 5.167 365 3HG2 VAL 48 HG23 VAL 48 91.027 1.458 4.192 366 H VAL 49 HN VAL 49 92.906 -3.413 4.345 367 HA VAL 49 HA VAL 49 93.006 -4.482 7.130 368 HB VAL 49 HB VAL 49 94.423 -5.412 4.621 369 1HG1 VAL 49 HG12 VAL 49 95.030 -5.840 7.358 370 2HG1 VAL 49 HG11 VAL 49 94.355 -7.347 6.739 371 3HG1 VAL 49 HG13 VAL 49 95.759 -6.622 5.957 372 1HG2 VAL 49 HG22 VAL 49 91.968 -6.380 6.080 373 2HG2 VAL 49 HG21 VAL 49 92.170 -6.074 4.356 374 3HG2 VAL 49 HG23 VAL 49 92.930 -7.481 5.097 375 H VAL 50 HN VAL 50 94.790 -3.926 8.460 376 HA VAL 50 HA VAL 50 96.896 -2.324 7.077 377 HB VAL 50 HB VAL 50 95.399 -1.800 9.618 378 1HG1 VAL 50 HG13 VAL 50 98.315 -1.242 9.117 379 2HG1 VAL 50 HG12 VAL 50 97.351 -0.110 10.062 380 3HG1 VAL 50 HG11 VAL 50 97.527 -1.778 10.600 381 1HG2 VAL 50 HG21 VAL 50 96.543 -0.050 7.415 382 2HG2 VAL 50 HG23 VAL 50 94.867 -0.583 7.533 383 3HG2 VAL 50 HG22 VAL 50 95.535 0.509 8.746 384 H ASP 51 HN ASP 51 98.981 -2.539 7.755 385 HA ASP 51 HA ASP 51 99.929 -5.071 8.506 386 1HB ASP 51 2HB ASP 51 101.205 -2.329 8.696 387 2HB ASP 51 3HB ASP 51 102.094 -3.834 8.957 388 H GLY 52 HN GLY 52 98.076 -3.330 10.445 389 1HA GLY 52 2HA GLY 52 99.479 -4.345 12.858 390 2HA GLY 52 3HA GLY 52 98.858 -2.695 12.845 391 H GLU 53 HN GLU 53 96.371 -3.245 11.439 392 HA GLU 53 HA GLU 53 95.016 -5.354 12.946 393 1HB GLU 53 2HB GLU 53 94.999 -3.932 14.789 394 2HB GLU 53 3HB GLU 53 94.878 -2.477 13.797 395 1HG GLU 53 2HG GLU 53 92.591 -2.920 13.274 396 2HG GLU 53 3HG GLU 53 92.684 -4.544 13.955 397 H VAL 54 HN VAL 54 92.608 -5.362 12.446 398 HA VAL 54 HA VAL 54 92.150 -4.839 9.639 399 HB VAL 54 HB VAL 54 90.195 -5.449 11.886 400 1HG1 VAL 54 HG11 VAL 54 89.809 -4.812 9.047 401 2HG1 VAL 54 HG13 VAL 54 89.107 -6.362 9.509 402 3HG1 VAL 54 HG12 VAL 54 88.625 -4.892 10.351 403 1HG2 VAL 54 HG21 VAL 54 92.015 -7.132 11.373 404 2HG2 VAL 54 HG23 VAL 54 90.375 -7.739 11.156 405 3HG2 VAL 54 HG22 VAL 54 91.336 -7.276 9.753 406 H LYS 55 HN LYS 55 91.260 -2.992 8.681 407 HA LYS 55 HA LYS 55 90.436 -0.830 10.580 408 1HB LYS 55 2HB LYS 55 91.432 -0.526 7.729 409 2HB LYS 55 3HB LYS 55 91.080 0.774 8.870 410 1HG LYS 55 2HG LYS 55 93.291 -1.275 9.035 411 2HG LYS 55 3HG LYS 55 93.434 0.481 8.941 412 1HD LYS 55 2HD LYS 55 92.077 0.524 11.120 413 2HD LYS 55 3HD LYS 55 92.460 -1.192 11.243 414 1HE LYS 55 2HE LYS 55 94.761 -0.797 11.471 415 2HE LYS 55 3HE LYS 55 94.651 0.823 10.789 416 1HZ LYS 55 HZ3 LYS 55 93.465 -0.024 13.374 417 2HZ LYS 55 HZ2 LYS 55 94.911 0.856 13.209 418 3HZ LYS 55 HZ1 LYS 55 93.432 1.544 12.729 419 H HIS 56 HN HIS 56 88.459 0.099 10.309 420 HA HIS 56 HA HIS 56 86.791 -0.960 8.081 421 1HB HIS 56 2HB HIS 56 86.317 -1.716 10.508 422 2HB HIS 56 3HB HIS 56 85.738 -0.070 10.762 423 HD1 HIS 56 HD1 HIS 56 84.825 -3.303 9.187 424 HD2 HIS 56 HD2 HIS 56 83.450 0.618 9.157 425 HE1 HIS 56 HE1 HIS 56 82.506 -3.372 8.167 426 H CYS 57 HN CYS 57 87.326 0.924 6.772 427 HA CYS 57 HA CYS 57 86.972 3.626 7.769 428 1HB CYS 57 2HB CYS 57 88.158 2.581 5.550 429 2HB CYS 57 3HB CYS 57 86.635 3.152 4.864 430 HG CYS 57 HG CYS 57 88.866 4.939 5.994 431 H VAL 58 HN VAL 58 85.150 4.916 7.673 432 HA VAL 58 HA VAL 58 82.649 3.520 6.867 433 HB VAL 58 HB VAL 58 83.335 5.577 8.945 434 1HG1 VAL 58 HG13 VAL 58 80.718 5.197 7.536 435 2HG1 VAL 58 HG12 VAL 58 80.712 5.557 9.265 436 3HG1 VAL 58 HG11 VAL 58 81.466 6.681 8.131 437 1HG2 VAL 58 HG22 VAL 58 82.476 2.779 8.860 438 2HG2 VAL 58 HG21 VAL 58 83.186 3.693 10.189 439 3HG2 VAL 58 HG23 VAL 58 81.449 3.754 9.907 440 H ILE 59 HN ILE 59 81.471 4.294 5.205 441 HA ILE 59 HA ILE 59 82.194 6.976 4.115 442 HB ILE 59 HB ILE 59 80.759 4.687 2.718 443 1HG1 ILE 59 HG12 ILE 59 83.089 4.066 3.246 444 2HG1 ILE 59 HG11 ILE 59 82.893 4.339 1.517 445 1HG2 ILE 59 HG23 ILE 59 81.951 7.284 1.731 446 2HG2 ILE 59 HG22 ILE 59 81.350 6.001 0.685 447 3HG2 ILE 59 HG21 ILE 59 80.240 6.853 1.756 448 1HD1 ILE 59 HD12 ILE 59 83.650 6.765 2.027 449 2HD1 ILE 59 HD11 ILE 59 84.231 6.107 3.555 450 3HD1 ILE 59 HD13 ILE 59 84.873 5.495 2.033 451 H ASN 60 HN ASN 60 80.694 8.512 4.694 452 HA ASN 60 HA ASN 60 77.980 7.601 5.476 453 1HB ASN 60 2HB ASN 60 79.306 9.182 6.936 454 2HB ASN 60 3HB ASN 60 79.149 10.392 5.662 455 1HD2 ASN 60 HD22 ASN 60 76.170 11.386 7.312 456 2HD2 ASN 60 HD21 ASN 60 77.767 11.809 6.929 457 H LYS 61 HN LYS 61 76.492 7.522 3.839 458 HA LYS 61 HA LYS 61 76.823 9.250 1.488 459 1HB LYS 61 2HB LYS 61 76.024 6.872 1.323 460 2HB LYS 61 3HB LYS 61 74.528 7.378 2.111 461 1HG LYS 61 2HG LYS 61 74.278 9.129 0.293 462 2HG LYS 61 3HG LYS 61 75.628 8.361 -0.536 463 1HD LYS 61 2HD LYS 61 74.093 7.021 -1.504 464 2HD LYS 61 3HD LYS 61 73.949 6.229 0.065 465 1HE LYS 61 2HE LYS 61 72.177 7.865 0.695 466 2HE LYS 61 3HE LYS 61 72.287 8.572 -0.916 467 1HZ LYS 61 HZ2 LYS 61 72.036 5.826 -1.242 468 2HZ LYS 61 HZ1 LYS 61 70.870 6.281 -0.094 469 3HZ LYS 61 HZ3 LYS 61 70.890 7.021 -1.620 470 H THR 62 HN THR 62 76.050 11.265 1.440 471 HA THR 62 HA THR 62 73.449 11.877 2.748 472 HB THR 62 HB THR 62 75.993 13.495 3.128 473 HG1 THR 62 HG1 THR 62 74.827 12.869 5.386 474 1HG2 THR 62 HG21 THR 62 73.152 13.982 4.065 475 2HG2 THR 62 HG23 THR 62 74.558 14.921 4.569 476 3HG2 THR 62 HG22 THR 62 74.039 14.948 2.884 477 H ALA 63 HN ALA 63 72.474 13.877 1.843 478 HA ALA 63 HA ALA 63 72.648 14.018 -0.971 479 1HB ALA 63 HB1 ALA 63 71.484 15.748 1.158 480 2HB ALA 63 HB3 ALA 63 71.733 16.499 -0.417 481 3HB ALA 63 HB2 ALA 63 70.720 15.064 -0.275 482 H THR 64 HN THR 64 74.307 15.995 1.502 483 HA THR 64 HA THR 64 75.981 17.143 -0.672 484 HB THR 64 HB THR 64 76.468 18.888 1.064 485 HG1 THR 64 HG1 THR 64 75.928 17.702 2.881 486 1HG2 THR 64 HG22 THR 64 74.417 18.738 -0.688 487 2HG2 THR 64 HG21 THR 64 73.521 18.893 0.824 488 3HG2 THR 64 HG23 THR 64 74.689 20.129 0.359 489 H GLY 65 HN GLY 65 76.236 14.579 1.252 490 1HA GLY 65 2HA GLY 65 79.100 15.167 1.911 491 2HA GLY 65 3HA GLY 65 78.074 14.238 3.004 492 H TYR 66 HN TYR 66 79.266 12.335 2.898 493 HA TYR 66 HA TYR 66 78.653 10.329 1.115 494 1HB TYR 66 2HB TYR 66 79.610 11.441 -0.772 495 2HB TYR 66 3HB TYR 66 81.038 11.921 0.151 496 HD1 TYR 66 HD2 TYR 66 79.243 9.058 -1.366 497 HD2 TYR 66 HD1 TYR 66 82.855 10.393 0.536 498 HE1 TYR 66 HE2 TYR 66 80.348 6.920 -1.964 499 HE2 TYR 66 HE1 TYR 66 83.965 8.259 -0.068 500 HH TYR 66 HH TYR 66 83.139 6.318 -2.303 501 H GLY 67 HN GLY 67 80.711 11.803 3.352 502 1HA GLY 67 2HA GLY 67 81.300 10.049 5.191 503 2HA GLY 67 3HA GLY 67 82.207 9.279 3.884 504 H PHE 68 HN PHE 68 83.992 10.504 2.917 505 HA PHE 68 HA PHE 68 85.454 12.106 4.891 506 1HB PHE 68 2HB PHE 68 86.027 11.064 2.124 507 2HB PHE 68 3HB PHE 68 87.083 12.273 2.849 508 HD1 PHE 68 HD1 PHE 68 85.665 8.852 3.314 509 HD2 PHE 68 HD2 PHE 68 88.661 11.687 4.517 510 HE1 PHE 68 HE1 PHE 68 86.853 7.070 4.569 511 HE2 PHE 68 HE2 PHE 68 89.848 9.906 5.768 512 HZ PHE 68 HZ PHE 68 88.950 7.598 5.791 513 H ALA 69 HN ALA 69 86.124 14.323 4.538 514 HA ALA 69 HA ALA 69 84.652 15.770 2.372 515 1HB ALA 69 HB3 ALA 69 84.739 16.417 5.322 516 2HB ALA 69 HB2 ALA 69 84.322 17.624 4.105 517 3HB ALA 69 HB1 ALA 69 83.321 16.186 4.300 518 H GLU 70 HN GLU 70 87.508 14.981 2.570 519 HA GLU 70 HA GLU 70 89.108 17.197 3.405 520 1HB GLU 70 2HB GLU 70 89.916 14.848 2.718 521 2HB GLU 70 3HB GLU 70 89.804 15.429 1.057 522 1HG GLU 70 2HG GLU 70 92.040 15.886 1.674 523 2HG GLU 70 3HG GLU 70 91.209 17.431 1.824 524 HA PRO 71 HA PRO 71 88.282 18.956 -0.916 525 1HB PRO 71 2HB PRO 71 86.600 17.656 -2.595 526 2HB PRO 71 3HB PRO 71 88.284 17.148 -2.374 527 1HG PRO 71 2HG PRO 71 85.823 15.845 -1.484 528 2HG PRO 71 3HG PRO 71 87.452 15.179 -1.672 529 1HD PRO 71 2HD PRO 71 86.155 16.109 0.764 530 2HD PRO 71 3HD PRO 71 87.716 15.282 0.589 531 H TYR 72 HN TYR 72 86.309 18.646 1.478 532 HA TYR 72 HA TYR 72 84.435 19.821 2.224 533 1HB TYR 72 2HB TYR 72 84.464 21.134 -0.519 534 2HB TYR 72 3HB TYR 72 83.608 21.704 0.906 535 HD1 TYR 72 HD2 TYR 72 85.106 22.040 3.059 536 HD2 TYR 72 HD1 TYR 72 86.590 21.998 -0.970 537 HE1 TYR 72 HE2 TYR 72 87.133 23.260 3.794 538 HE2 TYR 72 HE1 TYR 72 88.617 23.226 -0.237 539 HH TYR 72 HH TYR 72 89.083 24.099 3.197 540 H ASN 73 HN ASN 73 84.206 17.226 1.036 541 HA ASN 73 HA ASN 73 82.551 15.770 0.217 542 1HB ASN 73 2HB ASN 73 80.791 18.151 0.920 543 2HB ASN 73 3HB ASN 73 80.188 16.542 0.522 544 1HD2 ASN 73 HD22 ASN 73 82.037 15.267 3.568 545 2HD2 ASN 73 HD21 ASN 73 82.261 15.034 1.900 546 H LEU 74 HN LEU 74 84.015 17.189 -1.693 547 HA LEU 74 HA LEU 74 81.910 17.908 -3.689 548 1HB LEU 74 2HB LEU 74 84.795 18.808 -3.508 549 2HB LEU 74 3HB LEU 74 83.688 19.233 -4.814 550 HG LEU 74 HG LEU 74 83.233 19.846 -1.880 551 1HD1 LEU 74 HD11 LEU 74 85.054 21.194 -2.887 552 2HD1 LEU 74 HD13 LEU 74 83.968 21.668 -4.192 553 3HD1 LEU 74 HD12 LEU 74 83.638 22.186 -2.540 554 1HD2 LEU 74 HD22 LEU 74 81.619 20.205 -4.388 555 2HD2 LEU 74 HD21 LEU 74 81.083 19.725 -2.779 556 3HD2 LEU 74 HD23 LEU 74 81.485 21.411 -3.108 557 H TYR 75 HN TYR 75 82.901 15.169 -3.118 558 HA TYR 75 HA TYR 75 84.776 14.318 -5.075 559 1HB TYR 75 2HB TYR 75 82.382 12.814 -3.964 560 2HB TYR 75 3HB TYR 75 83.721 12.083 -4.854 561 HD1 TYR 75 HD1 TYR 75 86.137 12.959 -3.917 562 HD2 TYR 75 HD2 TYR 75 82.505 12.612 -1.653 563 HE1 TYR 75 HE1 TYR 75 87.459 12.822 -1.823 564 HE2 TYR 75 HE2 TYR 75 83.823 12.472 0.447 565 HH TYR 75 HH TYR 75 86.960 13.396 0.697 566 H SER 76 HN SER 76 84.462 13.499 -7.212 567 HA SER 76 HA SER 76 82.089 14.657 -8.574 568 1HB SER 76 2HB SER 76 84.297 15.184 -9.522 569 2HB SER 76 3HB SER 76 84.643 13.467 -9.705 570 HG SER 76 HG SER 76 83.832 14.009 -11.633 571 H SER 77 HN SER 77 83.823 11.550 -8.316 572 HA SER 77 HA SER 77 81.254 10.214 -8.989 573 1HB SER 77 2HB SER 77 82.643 10.352 -11.052 574 2HB SER 77 3HB SER 77 83.924 9.479 -10.216 575 HG SER 77 HG SER 77 81.266 8.586 -10.666 576 H LEU 78 HN LEU 78 81.064 8.107 -8.141 577 HA LEU 78 HA LEU 78 82.383 7.668 -5.633 578 1HB LEU 78 2HB LEU 78 80.739 5.808 -7.372 579 2HB LEU 78 3HB LEU 78 81.232 5.454 -5.712 580 HG LEU 78 HG LEU 78 79.623 7.872 -6.564 581 1HD1 LEU 78 HD12 LEU 78 78.826 5.274 -5.230 582 2HD1 LEU 78 HD11 LEU 78 77.817 6.721 -5.216 583 3HD1 LEU 78 HD13 LEU 78 78.213 5.939 -6.745 584 1HD2 LEU 78 HD23 LEU 78 80.940 6.990 -4.054 585 2HD2 LEU 78 HD22 LEU 78 80.600 8.619 -4.632 586 3HD2 LEU 78 HD21 LEU 78 79.319 7.663 -3.886 587 H LYS 79 HN LYS 79 82.839 6.240 -8.874 588 HA LYS 79 HA LYS 79 84.786 4.313 -8.022 589 1HB LYS 79 2HB LYS 79 84.323 5.649 -10.703 590 2HB LYS 79 3HB LYS 79 85.501 4.361 -10.449 591 1HG LYS 79 2HG LYS 79 83.685 2.881 -9.623 592 2HG LYS 79 3HG LYS 79 82.513 4.161 -9.947 593 1HD LYS 79 2HD LYS 79 82.921 4.070 -12.303 594 2HD LYS 79 3HD LYS 79 84.359 3.073 -12.085 595 1HE LYS 79 2HE LYS 79 82.952 1.234 -11.220 596 2HE LYS 79 3HE LYS 79 81.513 2.225 -11.458 597 1HZ LYS 79 HZ2 LYS 79 82.122 2.371 -13.832 598 2HZ LYS 79 HZ1 LYS 79 83.388 1.273 -13.552 599 3HZ LYS 79 HZ3 LYS 79 81.780 0.786 -13.329 600 H GLU 80 HN GLU 80 85.036 7.685 -9.142 601 HA GLU 80 HA GLU 80 87.919 7.775 -9.130 602 1HB GLU 80 2HB GLU 80 85.870 9.991 -8.824 603 2HB GLU 80 3HB GLU 80 87.601 10.258 -9.042 604 1HG GLU 80 2HG GLU 80 87.538 9.095 -11.190 605 2HG GLU 80 3HG GLU 80 85.827 8.736 -10.962 606 H LEU 81 HN LEU 81 85.448 8.265 -6.673 607 HA LEU 81 HA LEU 81 87.098 9.459 -4.680 608 1HB LEU 81 2HB LEU 81 84.666 9.334 -4.449 609 2HB LEU 81 3HB LEU 81 84.739 7.576 -4.407 610 HG LEU 81 HG LEU 81 84.548 8.767 -2.142 611 1HD1 LEU 81 HD12 LEU 81 85.701 6.401 -2.863 612 2HD1 LEU 81 HD11 LEU 81 87.041 7.179 -2.022 613 3HD1 LEU 81 HD13 LEU 81 85.507 6.930 -1.194 614 1HD2 LEU 81 HD22 LEU 81 86.388 10.469 -2.893 615 2HD2 LEU 81 HD21 LEU 81 86.419 9.877 -1.233 616 3HD2 LEU 81 HD23 LEU 81 87.521 9.197 -2.431 617 H VAL 82 HN VAL 82 86.399 6.044 -5.429 618 HA VAL 82 HA VAL 82 88.059 4.946 -3.350 619 HB VAL 82 HB VAL 82 87.192 3.776 -6.016 620 1HG1 VAL 82 HG13 VAL 82 88.659 2.603 -3.649 621 2HG1 VAL 82 HG12 VAL 82 87.701 1.591 -4.729 622 3HG1 VAL 82 HG11 VAL 82 89.075 2.496 -5.357 623 1HG2 VAL 82 HG21 VAL 82 85.644 4.419 -3.840 624 2HG2 VAL 82 HG23 VAL 82 85.269 3.121 -4.974 625 3HG2 VAL 82 HG22 VAL 82 86.104 2.759 -3.462 626 H LEU 83 HN LEU 83 88.644 5.720 -6.777 627 HA LEU 83 HA LEU 83 91.284 4.706 -7.005 628 1HB LEU 83 2HB LEU 83 89.933 7.022 -8.395 629 2HB LEU 83 3HB LEU 83 91.503 6.373 -8.869 630 HG LEU 83 HG LEU 83 88.965 4.717 -8.695 631 1HD1 LEU 83 HD11 LEU 83 89.208 6.598 -10.528 632 2HD1 LEU 83 HD13 LEU 83 90.333 5.458 -11.261 633 3HD1 LEU 83 HD12 LEU 83 88.656 4.988 -10.989 634 1HD2 LEU 83 HD23 LEU 83 91.827 4.179 -9.291 635 2HD2 LEU 83 HD22 LEU 83 90.602 3.114 -8.604 636 3HD2 LEU 83 HD21 LEU 83 90.654 3.393 -10.345 637 H HIS 84 HN HIS 84 90.192 7.985 -6.026 638 HA HIS 84 HA HIS 84 92.814 9.101 -5.832 639 1HB HIS 84 2HB HIS 84 90.745 10.448 -5.864 640 2HB HIS 84 3HB HIS 84 90.330 9.839 -4.263 641 HD1 HIS 84 HD1 HIS 84 91.914 10.587 -2.259 642 HD2 HIS 84 HD2 HIS 84 92.658 12.530 -5.876 643 HE1 HIS 84 HE1 HIS 84 93.338 12.608 -1.709 644 H TYR 85 HN TYR 85 90.832 7.395 -3.402 645 HA TYR 85 HA TYR 85 92.606 7.851 -1.203 646 1HB TYR 85 2HB TYR 85 90.464 5.814 -1.764 647 2HB TYR 85 3HB TYR 85 91.481 5.660 -0.330 648 HD1 TYR 85 HD2 TYR 85 89.988 8.597 -2.133 649 HD2 TYR 85 HD1 TYR 85 90.371 6.436 1.560 650 HE1 TYR 85 HE2 TYR 85 88.682 10.356 -0.973 651 HE2 TYR 85 HE1 TYR 85 89.071 8.200 2.727 652 HH TYR 85 HH TYR 85 87.737 10.989 0.928 653 H GLN 86 HN GLN 86 92.838 5.658 -3.903 654 HA GLN 86 HA GLN 86 94.611 3.755 -2.623 655 1HB GLN 86 2HB GLN 86 94.789 4.395 -5.552 656 2HB GLN 86 3HB GLN 86 94.879 2.827 -4.742 657 1HG GLN 86 2HG GLN 86 92.426 3.279 -4.056 658 2HG GLN 86 3HG GLN 86 92.459 4.498 -5.308 659 1HE2 GLN 86 HE22 GLN 86 92.490 2.169 -7.985 660 2HE2 GLN 86 HE21 GLN 86 92.740 3.789 -7.547 661 H HIS 87 HN HIS 87 95.062 6.849 -4.241 662 HA HIS 87 HA HIS 87 97.996 6.589 -4.146 663 1HB HIS 87 2HB HIS 87 96.183 8.857 -5.007 664 2HB HIS 87 3HB HIS 87 97.946 8.894 -5.111 665 HD1 HIS 87 HD1 HIS 87 94.918 7.313 -6.631 666 HD2 HIS 87 HD2 HIS 87 99.056 7.183 -7.108 667 HE1 HIS 87 HE1 HIS 87 95.347 6.079 -8.796 668 H THR 88 HN THR 88 95.440 7.810 -2.188 669 HA THR 88 HA THR 88 97.338 9.472 -0.606 670 HB THR 88 HB THR 88 94.319 9.221 -0.369 671 HG1 THR 88 HG1 THR 88 94.825 10.211 -2.282 672 1HG2 THR 88 HG23 THR 88 95.525 9.937 1.703 673 2HG2 THR 88 HG22 THR 88 96.229 11.271 0.789 674 3HG2 THR 88 HG21 THR 88 94.485 11.200 1.042 675 H SER 89 HN SER 89 98.151 8.705 1.255 676 HA SER 89 HA SER 89 97.360 6.048 2.188 677 1HB SER 89 2HB SER 89 99.281 6.156 3.554 678 2HB SER 89 3HB SER 89 99.730 7.088 2.124 679 HG SER 89 HG SER 89 98.755 8.905 3.474 680 H LEU 90 HN LEU 90 96.207 5.591 4.029 681 HA LEU 90 HA LEU 90 94.537 7.717 5.118 682 1HB LEU 90 2HB LEU 90 94.845 4.779 5.757 683 2HB LEU 90 3HB LEU 90 93.720 5.827 6.620 684 HG LEU 90 HG LEU 90 93.093 6.467 4.054 685 1HD1 LEU 90 HD13 LEU 90 94.725 4.788 3.206 686 2HD1 LEU 90 HD12 LEU 90 93.800 3.527 4.018 687 3HD1 LEU 90 HD11 LEU 90 93.071 4.448 2.706 688 1HD2 LEU 90 HD23 LEU 90 92.060 4.514 6.040 689 2HD2 LEU 90 HD22 LEU 90 91.242 5.873 5.273 690 3HD2 LEU 90 HD21 LEU 90 91.440 4.354 4.399 691 H VAL 91 HN VAL 91 97.589 6.385 5.942 692 HA VAL 91 HA VAL 91 97.977 6.401 8.614 693 HB VAL 91 HB VAL 91 99.745 6.529 6.758 694 1HG1 VAL 91 HG12 VAL 91 98.922 8.817 6.006 695 2HG1 VAL 91 HG11 VAL 91 99.656 9.470 7.469 696 3HG1 VAL 91 HG13 VAL 91 100.663 8.685 6.253 697 1HG2 VAL 91 HG23 VAL 91 99.898 7.652 9.523 698 2HG2 VAL 91 HG22 VAL 91 100.688 6.228 8.845 699 3HG2 VAL 91 HG21 VAL 91 101.306 7.839 8.477 700 H GLN 92 HN GLN 92 97.428 9.408 6.765 701 HA GLN 92 HA GLN 92 97.638 11.153 9.027 702 1HB GLN 92 2HB GLN 92 96.638 12.844 7.611 703 2HB GLN 92 3HB GLN 92 97.760 11.891 6.641 704 1HG GLN 92 2HG GLN 92 95.616 10.436 6.144 705 2HG GLN 92 3HG GLN 92 94.763 11.909 6.604 706 1HE2 GLN 92 HE22 GLN 92 95.324 12.241 2.979 707 2HE2 GLN 92 HE21 GLN 92 94.361 11.311 4.021 708 H HIS 93 HN HIS 93 95.173 8.912 8.259 709 HA HIS 93 HA HIS 93 92.881 10.363 9.213 710 1HB HIS 93 2HB HIS 93 93.553 7.406 9.168 711 2HB HIS 93 3HB HIS 93 91.994 8.019 9.721 712 HD1 HIS 93 HD1 HIS 93 93.752 9.768 6.934 713 HD2 HIS 93 HD2 HIS 93 90.675 6.991 7.377 714 HE1 HIS 93 HE1 HIS 93 92.637 9.568 4.669 715 H ASN 94 HN ASN 94 95.209 8.220 10.810 716 HA ASN 94 HA ASN 94 94.668 9.620 13.378 717 1HB ASN 94 2HB ASN 94 94.767 6.605 13.002 718 2HB ASN 94 3HB ASN 94 94.759 7.419 14.567 719 1HD2 ASN 94 HD22 ASN 94 91.364 8.803 13.322 720 2HD2 ASN 94 HD21 ASN 94 92.890 9.546 13.288 721 H ASP 95 HN ASP 95 96.786 9.406 11.180 722 HA ASP 95 HA ASP 95 99.118 9.467 11.072 723 1HB ASP 95 2HB ASP 95 98.712 9.724 14.065 724 2HB ASP 95 3HB ASP 95 100.299 9.799 13.307 725 H SER 96 HN SER 96 97.489 6.877 11.681 726 HA SER 96 HA SER 96 99.912 5.213 11.993 727 1HB SER 96 2HB SER 96 97.452 4.892 13.738 728 2HB SER 96 3HB SER 96 98.800 3.760 13.676 729 HG SER 96 HG SER 96 99.954 6.008 14.047 730 H LEU 97 HN LEU 97 97.423 5.938 10.147 731 HA LEU 97 HA LEU 97 96.649 3.133 9.542 732 1HB LEU 97 2HB LEU 97 95.563 5.833 8.697 733 2HB LEU 97 3HB LEU 97 95.086 4.352 7.874 734 HG LEU 97 HG LEU 97 93.607 5.188 9.829 735 1HD1 LEU 97 HD12 LEU 97 94.621 2.435 9.298 736 2HD1 LEU 97 HD11 LEU 97 93.615 2.677 10.727 737 3HD1 LEU 97 HD13 LEU 97 92.992 3.082 9.130 738 1HD2 LEU 97 HD22 LEU 97 95.635 5.548 11.315 739 2HD2 LEU 97 HD21 LEU 97 94.323 4.626 12.046 740 3HD2 LEU 97 HD23 LEU 97 95.755 3.794 11.439 741 H ASN 98 HN ASN 98 99.063 2.994 8.910 742 HA ASN 98 HA ASN 98 99.847 4.357 6.461 743 1HB ASN 98 2HB ASN 98 101.422 3.623 8.290 744 2HB ASN 98 3HB ASN 98 101.170 1.961 7.750 745 1HD2 ASN 98 HD22 ASN 98 104.128 3.584 5.947 746 2HD2 ASN 98 HD21 ASN 98 103.721 3.523 7.594 747 H VAL 99 HN VAL 99 98.013 3.649 5.132 748 HA VAL 99 HA VAL 99 98.728 1.326 3.532 749 HB VAL 99 HB VAL 99 97.520 0.160 5.308 750 1HG1 VAL 99 HG12 VAL 99 95.434 2.271 4.754 751 2HG1 VAL 99 HG11 VAL 99 95.021 0.746 5.538 752 3HG1 VAL 99 HG13 VAL 99 96.173 1.845 6.297 753 1HG2 VAL 99 HG22 VAL 99 97.103 -0.207 2.705 754 2HG2 VAL 99 HG21 VAL 99 96.172 -1.103 3.906 755 3HG2 VAL 99 HG23 VAL 99 95.474 0.317 3.128 756 H THR 100 HN THR 100 97.438 1.222 1.576 757 HA THR 100 HA THR 100 95.705 3.620 1.156 758 HB THR 100 HB THR 100 96.650 3.996 -1.019 759 HG1 THR 100 HG1 THR 100 97.903 2.578 -1.994 760 1HG2 THR 100 HG23 THR 100 98.200 4.161 1.376 761 2HG2 THR 100 HG22 THR 100 99.284 3.744 0.048 762 3HG2 THR 100 HG21 THR 100 98.280 5.190 -0.053 763 H LEU 101 HN LEU 101 94.049 3.285 -0.460 764 HA LEU 101 HA LEU 101 93.130 0.506 -0.531 765 1HB LEU 101 2HB LEU 101 92.010 2.917 -1.988 766 2HB LEU 101 3HB LEU 101 91.167 1.418 -1.615 767 HG LEU 101 HG LEU 101 92.125 3.529 0.320 768 1HD1 LEU 101 HD11 LEU 101 89.860 3.652 -0.916 769 2HD1 LEU 101 HD13 LEU 101 89.390 2.275 0.079 770 3HD1 LEU 101 HD12 LEU 101 89.830 3.804 0.840 771 1HD2 LEU 101 HD23 LEU 101 91.296 0.660 0.772 772 2HD2 LEU 101 HD22 LEU 101 92.704 1.508 1.413 773 3HD2 LEU 101 HD21 LEU 101 91.093 1.879 2.031 774 H ALA 102 HN ALA 102 95.300 -0.008 -1.719 775 HA ALA 102 HA ALA 102 95.208 0.655 -4.605 776 1HB ALA 102 HB3 ALA 102 97.335 0.782 -3.185 777 2HB ALA 102 HB2 ALA 102 97.321 -0.984 -3.211 778 3HB ALA 102 HB1 ALA 102 97.460 -0.082 -4.719 779 H TYR 103 HN TYR 103 94.736 -2.130 -2.486 780 HA TYR 103 HA TYR 103 94.442 -3.784 -4.954 781 1HB TYR 103 2HB TYR 103 95.170 -4.609 -2.140 782 2HB TYR 103 3HB TYR 103 94.912 -5.731 -3.478 783 HD1 TYR 103 HD1 TYR 103 96.460 -5.819 -5.369 784 HD2 TYR 103 HD2 TYR 103 97.123 -3.156 -2.064 785 HE1 TYR 103 HE1 TYR 103 98.792 -5.456 -6.125 786 HE2 TYR 103 HE2 TYR 103 99.454 -2.795 -2.823 787 HH TYR 103 HH TYR 103 101.068 -4.693 -4.733 788 HA PRO 104 HA PRO 104 90.139 -4.132 -3.708 789 1HB PRO 104 2HB PRO 104 89.412 -5.922 -5.632 790 2HB PRO 104 3HB PRO 104 89.594 -4.187 -5.941 791 1HG PRO 104 2HG PRO 104 91.394 -6.429 -6.629 792 2HG PRO 104 3HG PRO 104 91.095 -4.907 -7.486 793 1HD PRO 104 2HD PRO 104 93.331 -5.414 -5.918 794 2HD PRO 104 3HD PRO 104 92.730 -3.796 -6.332 795 H VAL 105 HN VAL 105 88.828 -5.772 -2.691 796 HA VAL 105 HA VAL 105 90.372 -7.932 -1.492 797 HB VAL 105 HB VAL 105 88.689 -6.784 -0.180 798 1HG1 VAL 105 HG11 VAL 105 86.961 -7.545 -2.491 799 2HG1 VAL 105 HG13 VAL 105 86.224 -7.488 -0.893 800 3HG1 VAL 105 HG12 VAL 105 86.990 -6.051 -1.561 801 1HG2 VAL 105 HG23 VAL 105 89.130 -9.303 0.079 802 2HG2 VAL 105 HG22 VAL 105 87.641 -8.677 0.789 803 3HG2 VAL 105 HG21 VAL 105 87.590 -9.535 -0.751 804 H TYR 106 HN TYR 106 88.040 -7.636 -4.089 805 HA TYR 106 HA TYR 106 88.237 -10.582 -4.528 806 1HB TYR 106 2HB TYR 106 86.054 -8.599 -5.157 807 2HB TYR 106 3HB TYR 106 86.134 -10.170 -5.963 808 HD1 TYR 106 HD1 TYR 106 86.353 -12.269 -4.432 809 HD2 TYR 106 HD2 TYR 106 85.064 -8.413 -3.043 810 HE1 TYR 106 HE1 TYR 106 85.358 -13.323 -2.420 811 HE2 TYR 106 HE2 TYR 106 84.075 -9.470 -1.031 812 HH TYR 106 HH TYR 106 84.219 -12.997 -0.560 813 H ALA 107 HN ALA 107 90.376 -9.298 -5.373 814 HA ALA 107 HA ALA 107 90.284 -8.065 -7.941 815 1HB ALA 107 HB1 ALA 107 92.245 -8.419 -6.152 816 2HB ALA 107 HB3 ALA 107 92.620 -9.777 -7.213 817 3HB ALA 107 HB2 ALA 107 92.590 -8.136 -7.858 818 H GLN 108 HN GLN 108 90.214 -8.934 -9.988 819 HA GLN 108 HA GLN 108 89.530 -11.768 -10.210 820 1HB GLN 108 2HB GLN 108 89.935 -9.640 -12.333 821 2HB GLN 108 3HB GLN 108 89.259 -11.247 -12.613 822 1HG GLN 108 2HG GLN 108 88.090 -9.277 -10.629 823 2HG GLN 108 3HG GLN 108 87.524 -9.418 -12.292 824 1HE2 GLN 108 HE22 GLN 108 86.216 -12.807 -11.694 825 2HE2 GLN 108 HE21 GLN 108 87.122 -11.978 -12.866 826 H GLN 109 HN GLN 109 92.433 -10.105 -9.979 827 HA GLN 109 HA GLN 109 93.978 -11.536 -11.985 828 1HB GLN 109 2HB GLN 109 94.920 -10.166 -9.443 829 2HB GLN 109 3HB GLN 109 95.955 -10.702 -10.766 830 1HG GLN 109 2HG GLN 109 94.871 -9.157 -12.303 831 2HG GLN 109 3HG GLN 109 93.716 -8.685 -11.054 832 1HE2 GLN 109 HE22 GLN 109 96.400 -6.119 -10.950 833 2HE2 GLN 109 HE21 GLN 109 95.191 -6.584 -12.049 834 H ARG 110 HN ARG 110 95.184 -13.416 -11.724 835 HA ARG 110 HA ARG 110 95.710 -15.514 -10.842 836 1HB ARG 110 2HB ARG 110 95.498 -13.959 -8.244 837 2HB ARG 110 3HB ARG 110 96.121 -15.605 -8.373 838 1HG ARG 110 2HG ARG 110 97.252 -13.236 -9.889 839 2HG ARG 110 3HG ARG 110 97.935 -13.867 -8.388 840 1HD ARG 110 2HD ARG 110 97.692 -16.143 -9.911 841 2HD ARG 110 3HD ARG 110 98.104 -14.944 -11.130 842 HE ARG 110 HE ARG 110 99.987 -16.125 -9.462 843 1HH1 ARG 110 HH21 ARG 110 98.810 -12.915 -9.967 844 2HH1 ARG 110 HH22 ARG 110 100.275 -12.162 -9.448 845 1HH2 ARG 110 HH11 ARG 110 101.900 -15.152 -8.797 846 2HH2 ARG 110 HH12 ARG 110 102.023 -13.424 -8.785 847 H ARG 111 HN ARG 111 93.126 -15.306 -11.631 848 HA ARG 111 HA ARG 111 91.452 -16.326 -9.398 849 1HB ARG 111 2HB ARG 111 90.458 -14.561 -10.783 850 2HB ARG 111 3HB ARG 111 90.718 -15.531 -12.233 851 1HG ARG 111 2HG ARG 111 89.262 -17.294 -11.299 852 2HG ARG 111 3HG ARG 111 88.964 -16.287 -9.879 853 1HD ARG 111 2HD ARG 111 88.415 -14.539 -11.902 854 2HD ARG 111 3HD ARG 111 87.878 -16.055 -12.616 855 HE ARG 111 HE ARG 111 86.385 -14.609 -10.752 856 1HH1 ARG 111 HH21 ARG 111 87.803 -17.761 -10.896 857 2HH1 ARG 111 HH22 ARG 111 86.674 -18.453 -9.785 858 1HH2 ARG 111 HH11 ARG 111 84.879 -15.517 -9.358 859 2HH2 ARG 111 HH12 ARG 111 84.978 -17.202 -8.969 No H/Q in entry = 859 Start of MODEL 14 1 1H GLU 1 HT1 GLU 1 95.381 -3.515 -19.468 2 2H GLU 1 HT3 GLU 1 96.277 -4.506 -18.421 3 3H GLU 1 HT2 GLU 1 96.191 -4.878 -20.078 4 HA GLU 1 HA GLU 1 94.092 -5.706 -19.962 5 1HB GLU 1 2HB GLU 1 95.288 -6.134 -17.204 6 2HB GLU 1 3HB GLU 1 93.910 -7.036 -17.839 7 1HG GLU 1 2HG GLU 1 95.286 -7.796 -19.743 8 2HG GLU 1 3HG GLU 1 96.671 -6.920 -19.088 9 H ASP 2 HN ASP 2 92.126 -6.006 -18.232 10 HA ASP 2 HA ASP 2 90.981 -3.370 -18.031 11 1HB ASP 2 2HB ASP 2 90.114 -6.076 -16.992 12 2HB ASP 2 3HB ASP 2 89.154 -4.616 -16.750 13 H LEU 3 HN LEU 3 90.587 -2.109 -16.162 14 HA LEU 3 HA LEU 3 92.514 -2.567 -13.986 15 1HB LEU 3 2HB LEU 3 91.946 -0.306 -15.162 16 2HB LEU 3 3HB LEU 3 90.529 -0.307 -14.116 17 HG LEU 3 HG LEU 3 92.061 -0.582 -12.146 18 1HD1 LEU 3 HD13 LEU 3 93.984 -0.787 -14.344 19 2HD1 LEU 3 HD12 LEU 3 94.460 0.408 -13.137 20 3HD1 LEU 3 HD11 LEU 3 94.161 -1.263 -12.656 21 1HD2 LEU 3 HD23 LEU 3 92.107 1.790 -13.987 22 2HD2 LEU 3 HD22 LEU 3 91.368 1.635 -12.398 23 3HD2 LEU 3 HD21 LEU 3 93.113 1.816 -12.540 24 HA PRO 4 HA PRO 4 89.448 -4.776 -11.567 25 1HB PRO 4 2HB PRO 4 90.982 -3.625 -9.281 26 2HB PRO 4 3HB PRO 4 90.543 -5.311 -9.609 27 1HG PRO 4 2HG PRO 4 93.030 -4.371 -9.976 28 2HG PRO 4 3HG PRO 4 92.335 -5.656 -10.975 29 1HD PRO 4 2HD PRO 4 92.887 -2.829 -11.681 30 2HD PRO 4 3HD PRO 4 92.757 -4.262 -12.727 31 H HIS 5 HN HIS 5 90.193 -1.395 -11.268 32 HA HIS 5 HA HIS 5 88.130 -0.712 -9.358 33 1HB HIS 5 2HB HIS 5 89.585 0.972 -11.407 34 2HB HIS 5 3HB HIS 5 88.575 1.614 -10.109 35 HD1 HIS 5 HD1 HIS 5 89.420 -0.371 -7.883 36 HD2 HIS 5 HD2 HIS 5 92.117 1.627 -10.351 37 HE1 HIS 5 HE1 HIS 5 91.636 -0.385 -6.667 38 H HIS 6 HN HIS 6 88.232 -1.115 -12.844 39 HA HIS 6 HA HIS 6 85.723 0.201 -13.397 40 1HB HIS 6 2HB HIS 6 87.253 -1.972 -14.860 41 2HB HIS 6 3HB HIS 6 85.811 -1.185 -15.509 42 HD1 HIS 6 HD1 HIS 6 86.163 1.692 -15.051 43 HD2 HIS 6 HD2 HIS 6 89.444 -0.717 -15.959 44 HE1 HIS 6 HE1 HIS 6 87.974 3.243 -15.904 45 H ASP 7 HN ASP 7 86.669 -2.798 -12.015 46 HA ASP 7 HA ASP 7 83.967 -3.966 -12.297 47 1HB ASP 7 2HB ASP 7 86.557 -5.077 -11.165 48 2HB ASP 7 3HB ASP 7 85.028 -5.955 -11.178 49 H GLU 8 HN GLU 8 82.561 -3.276 -10.783 50 HA GLU 8 HA GLU 8 83.362 -2.012 -8.331 51 1HB GLU 8 2HB GLU 8 81.212 -1.646 -9.644 52 2HB GLU 8 3HB GLU 8 80.646 -3.171 -8.965 53 1HG GLU 8 2HG GLU 8 81.335 -2.145 -6.686 54 2HG GLU 8 3HG GLU 8 81.291 -0.607 -7.539 55 H LYS 9 HN LYS 9 82.380 -5.328 -9.125 56 HA LYS 9 HA LYS 9 81.989 -6.132 -6.386 57 1HB LYS 9 2HB LYS 9 81.548 -8.248 -7.226 58 2HB LYS 9 3HB LYS 9 81.194 -7.236 -8.622 59 1HG LYS 9 2HG LYS 9 83.802 -8.703 -8.128 60 2HG LYS 9 3HG LYS 9 82.552 -9.170 -9.279 61 1HD LYS 9 2HD LYS 9 83.993 -6.511 -9.343 62 2HD LYS 9 3HD LYS 9 84.444 -7.901 -10.326 63 1HE LYS 9 2HE LYS 9 81.963 -6.208 -10.469 64 2HE LYS 9 3HE LYS 9 83.048 -6.701 -11.768 65 1HZ LYS 9 HZ1 LYS 9 81.236 -8.518 -10.262 66 2HZ LYS 9 HZ3 LYS 9 80.953 -7.928 -11.827 67 3HZ LYS 9 HZ2 LYS 9 82.264 -8.969 -11.538 68 H THR 10 HN THR 10 84.845 -5.522 -8.169 69 HA THR 10 HA THR 10 86.578 -7.448 -6.949 70 HB THR 10 HB THR 10 88.357 -5.639 -7.461 71 HG1 THR 10 HG1 THR 10 86.068 -4.509 -8.687 72 1HG2 THR 10 HG22 THR 10 86.535 -6.724 -9.620 73 2HG2 THR 10 HG21 THR 10 88.148 -6.070 -9.906 74 3HG2 THR 10 HG23 THR 10 87.947 -7.530 -8.936 75 H TRP 11 HN TRP 11 85.427 -4.262 -5.919 76 HA TRP 11 HA TRP 11 86.722 -4.786 -3.279 77 1HB TRP 11 2HB TRP 11 86.197 -2.134 -3.173 78 2HB TRP 11 3HB TRP 11 87.717 -2.787 -3.790 79 HD1 TRP 11 HD1 TRP 11 87.622 -3.424 -6.511 80 HE1 TRP 11 HE1 TRP 11 86.585 -2.049 -8.435 81 HE3 TRP 11 HE3 TRP 11 84.504 -0.405 -3.829 82 HZ2 TRP 11 HZ2 TRP 11 84.707 0.104 -8.764 83 HZ3 TRP 11 HZ3 TRP 11 83.109 1.296 -4.965 84 HH2 TRP 11 HH2 TRP 11 83.206 1.551 -7.425 85 H ASN 12 HN ASN 12 83.745 -3.936 -4.949 86 HA ASN 12 HA ASN 12 82.326 -3.422 -2.424 87 1HB ASN 12 2HB ASN 12 81.830 -2.233 -4.615 88 2HB ASN 12 3HB ASN 12 81.098 -3.742 -5.169 89 1HD2 ASN 12 HD22 ASN 12 78.126 -2.362 -3.765 90 2HD2 ASN 12 HD21 ASN 12 78.960 -2.673 -5.211 91 H VAL 13 HN VAL 13 81.562 -5.021 -1.208 92 HA VAL 13 HA VAL 13 80.400 -7.420 -2.513 93 HB VAL 13 HB VAL 13 82.803 -7.872 -1.783 94 1HG1 VAL 13 HG13 VAL 13 81.987 -6.543 0.506 95 2HG1 VAL 13 HG12 VAL 13 81.973 -8.234 1.000 96 3HG1 VAL 13 HG11 VAL 13 83.450 -7.520 0.362 97 1HG2 VAL 13 HG22 VAL 13 80.353 -9.375 -1.008 98 2HG2 VAL 13 HG21 VAL 13 81.708 -9.885 -2.015 99 3HG2 VAL 13 HG23 VAL 13 81.856 -9.910 -0.257 100 H GLY 14 HN GLY 14 79.307 -5.043 -1.229 101 1HA GLY 14 2HA GLY 14 78.510 -5.100 1.389 102 2HA GLY 14 3HA GLY 14 77.380 -4.685 0.102 103 H SER 15 HN SER 15 77.808 -7.544 -0.961 104 HA SER 15 HA SER 15 75.486 -8.727 0.216 105 1HB SER 15 2HB SER 15 76.132 -10.748 -0.984 106 2HB SER 15 3HB SER 15 76.453 -9.358 -2.017 107 HG SER 15 HG SER 15 78.618 -9.492 -1.467 108 H SER 16 HN SER 16 78.743 -8.505 1.262 109 HA SER 16 HA SER 16 78.520 -10.842 3.061 110 1HB SER 16 2HB SER 16 80.762 -8.858 2.652 111 2HB SER 16 3HB SER 16 80.852 -10.311 3.639 112 HG SER 16 HG SER 16 80.011 -10.522 0.970 113 H ASN 17 HN ASN 17 78.484 -10.677 5.297 114 HA ASN 17 HA ASN 17 77.412 -8.188 6.397 115 1HB ASN 17 2HB ASN 17 77.224 -9.464 8.470 116 2HB ASN 17 3HB ASN 17 76.642 -10.448 7.123 117 1HD2 ASN 17 HD22 ASN 17 78.871 -12.779 8.790 118 2HD2 ASN 17 HD21 ASN 17 77.289 -12.181 8.905 119 H ARG 18 HN ARG 18 78.431 -7.299 8.467 120 HA ARG 18 HA ARG 18 81.104 -6.471 7.953 121 1HB ARG 18 2HB ARG 18 79.368 -6.354 10.420 122 2HB ARG 18 3HB ARG 18 81.020 -5.738 10.425 123 1HG ARG 18 2HG ARG 18 80.477 -4.247 8.527 124 2HG ARG 18 3HG ARG 18 78.818 -4.852 8.524 125 1HD ARG 18 2HD ARG 18 80.149 -3.489 10.889 126 2HD ARG 18 3HD ARG 18 79.056 -2.686 9.759 127 HE ARG 18 HE ARG 18 77.566 -4.825 10.634 128 1HH1 ARG 18 HH21 ARG 18 79.386 -2.300 12.121 129 2HH1 ARG 18 HH22 ARG 18 78.404 -2.257 13.546 130 1HH2 ARG 18 HH11 ARG 18 76.293 -4.787 12.500 131 2HH2 ARG 18 HH12 ARG 18 76.657 -3.652 13.756 132 H ASN 19 HN ASN 19 79.883 -9.083 10.087 133 HA ASN 19 HA ASN 19 82.415 -9.711 11.278 134 1HB ASN 19 2HB ASN 19 79.922 -11.346 10.763 135 2HB ASN 19 3HB ASN 19 81.338 -12.038 11.558 136 1HD2 ASN 19 HD22 ASN 19 80.894 -9.248 14.130 137 2HD2 ASN 19 HD21 ASN 19 82.014 -9.423 12.867 138 H LYS 20 HN LYS 20 80.805 -10.965 8.366 139 HA LYS 20 HA LYS 20 82.821 -12.861 7.675 140 1HB LYS 20 2HB LYS 20 80.558 -12.745 6.600 141 2HB LYS 20 3HB LYS 20 81.073 -11.278 5.765 142 1HG LYS 20 2HG LYS 20 81.499 -12.972 4.189 143 2HG LYS 20 3HG LYS 20 83.074 -12.713 4.938 144 1HD LYS 20 2HD LYS 20 82.749 -14.639 6.402 145 2HD LYS 20 3HD LYS 20 81.105 -14.853 5.808 146 1HE LYS 20 2HE LYS 20 83.545 -14.989 4.014 147 2HE LYS 20 3HE LYS 20 82.812 -16.409 4.758 148 1HZ LYS 20 HZ1 LYS 20 80.873 -14.745 3.494 149 2HZ LYS 20 HZ3 LYS 20 82.065 -15.245 2.398 150 3HZ LYS 20 HZ2 LYS 20 81.180 -16.402 3.272 151 H ALA 21 HN ALA 21 82.520 -9.388 7.078 152 HA ALA 21 HA ALA 21 84.637 -9.089 5.203 153 1HB ALA 21 HB1 ALA 21 82.920 -7.330 6.129 154 2HB ALA 21 HB3 ALA 21 84.135 -7.061 7.378 155 3HB ALA 21 HB2 ALA 21 84.537 -6.784 5.683 156 H GLU 22 HN GLU 22 84.616 -9.353 8.731 157 HA GLU 22 HA GLU 22 87.312 -8.650 9.257 158 1HB GLU 22 2HB GLU 22 85.489 -10.662 10.603 159 2HB GLU 22 3HB GLU 22 87.066 -10.199 11.242 160 1HG GLU 22 2HG GLU 22 86.376 -7.874 11.412 161 2HG GLU 22 3HG GLU 22 84.838 -8.239 10.634 162 H ASN 23 HN ASN 23 85.887 -11.810 8.409 163 HA ASN 23 HA ASN 23 88.332 -13.271 8.475 164 1HB ASN 23 2HB ASN 23 85.797 -13.667 6.872 165 2HB ASN 23 3HB ASN 23 87.143 -14.809 6.847 166 1HD2 ASN 23 HD22 ASN 23 84.771 -15.853 9.562 167 2HD2 ASN 23 HD21 ASN 23 84.611 -15.616 7.888 168 H LEU 24 HN LEU 24 86.701 -11.407 5.984 169 HA LEU 24 HA LEU 24 88.577 -11.938 3.865 170 1HB LEU 24 2HB LEU 24 86.574 -9.709 4.342 171 2HB LEU 24 3HB LEU 24 87.552 -9.815 2.880 172 HG LEU 24 HG LEU 24 85.761 -12.054 3.861 173 1HD1 LEU 24 HD13 LEU 24 85.216 -9.633 2.209 174 2HD1 LEU 24 HD12 LEU 24 84.542 -11.156 1.625 175 3HD1 LEU 24 HD11 LEU 24 84.123 -10.563 3.232 176 1HD2 LEU 24 HD23 LEU 24 87.691 -11.650 1.669 177 2HD2 LEU 24 HD22 LEU 24 87.082 -13.150 2.369 178 3HD2 LEU 24 HD21 LEU 24 86.137 -12.299 1.147 179 H LEU 25 HN LEU 25 88.287 -9.421 6.346 180 HA LEU 25 HA LEU 25 90.665 -7.998 5.354 181 1HB LEU 25 2HB LEU 25 88.958 -7.725 7.841 182 2HB LEU 25 3HB LEU 25 90.341 -6.688 7.501 183 HG LEU 25 HG LEU 25 88.419 -6.944 5.272 184 1HD1 LEU 25 HD11 LEU 25 86.958 -6.923 7.351 185 2HD1 LEU 25 HD13 LEU 25 87.652 -5.349 7.735 186 3HD1 LEU 25 HD12 LEU 25 86.706 -5.559 6.260 187 1HD2 LEU 25 HD22 LEU 25 89.823 -4.664 6.708 188 2HD2 LEU 25 HD21 LEU 25 90.255 -5.365 5.149 189 3HD2 LEU 25 HD23 LEU 25 88.763 -4.441 5.313 190 H ARG 26 HN ARG 26 89.957 -10.632 7.419 191 HA ARG 26 HA ARG 26 92.486 -10.393 8.908 192 1HB ARG 26 2HB ARG 26 90.121 -12.260 9.093 193 2HB ARG 26 3HB ARG 26 91.593 -12.517 10.036 194 1HG ARG 26 2HG ARG 26 90.509 -9.768 10.141 195 2HG ARG 26 3HG ARG 26 89.470 -10.996 10.862 196 1HD ARG 26 2HD ARG 26 92.415 -10.785 11.524 197 2HD ARG 26 3HD ARG 26 91.176 -9.912 12.428 198 HE ARG 26 HE ARG 26 90.275 -12.530 12.430 199 1HH1 ARG 26 HH21 ARG 26 93.160 -10.853 13.294 200 2HH1 ARG 26 HH22 ARG 26 93.606 -11.984 14.526 201 1HH2 ARG 26 HH11 ARG 26 90.853 -14.027 14.017 202 2HH2 ARG 26 HH12 ARG 26 92.314 -13.796 14.916 203 H GLY 27 HN GLY 27 91.049 -12.153 6.361 204 1HA GLY 27 2HA GLY 27 93.325 -14.043 6.213 205 2HA GLY 27 3HA GLY 27 91.849 -14.130 5.248 206 H LYS 28 HN LYS 28 92.969 -10.948 5.405 207 HA LYS 28 HA LYS 28 94.419 -11.261 2.800 208 1HB LYS 28 2HB LYS 28 92.407 -9.146 3.614 209 2HB LYS 28 3HB LYS 28 93.448 -9.007 2.197 210 1HG LYS 28 2HG LYS 28 91.610 -11.358 2.694 211 2HG LYS 28 3HG LYS 28 91.172 -9.966 1.699 212 1HD LYS 28 2HD LYS 28 93.565 -10.530 0.601 213 2HD LYS 28 3HD LYS 28 93.125 -12.149 1.148 214 1HE LYS 28 2HE LYS 28 91.347 -10.363 -0.537 215 2HE LYS 28 3HE LYS 28 92.343 -11.671 -1.177 216 1HZ LYS 28 HZ3 LYS 28 90.354 -12.098 0.974 217 2HZ LYS 28 HZ2 LYS 28 89.954 -12.232 -0.672 218 3HZ LYS 28 HZ1 LYS 28 91.118 -13.265 0.009 219 H ARG 29 HN ARG 29 96.185 -9.931 2.486 220 HA ARG 29 HA ARG 29 97.520 -8.953 4.884 221 1HB ARG 29 2HB ARG 29 98.268 -8.900 1.946 222 2HB ARG 29 3HB ARG 29 99.308 -8.272 3.223 223 1HG ARG 29 2HG ARG 29 99.320 -10.487 4.308 224 2HG ARG 29 3HG ARG 29 98.283 -11.118 3.030 225 1HD ARG 29 2HD ARG 29 100.011 -10.609 1.348 226 2HD ARG 29 3HD ARG 29 101.051 -9.936 2.605 227 HE ARG 29 HE ARG 29 100.552 -12.503 3.496 228 1HH1 ARG 29 HH21 ARG 29 101.647 -11.075 0.553 229 2HH1 ARG 29 HH22 ARG 29 102.661 -12.412 0.128 230 1HH2 ARG 29 HH11 ARG 29 101.870 -14.254 2.957 231 2HH2 ARG 29 HH12 ARG 29 102.785 -14.215 1.487 232 H ASP 30 HN ASP 30 98.487 -6.708 4.916 233 HA ASP 30 HA ASP 30 96.531 -4.690 4.852 234 1HB ASP 30 2HB ASP 30 98.360 -3.098 5.039 235 2HB ASP 30 3HB ASP 30 98.728 -4.519 6.016 236 H GLY 31 HN GLY 31 96.332 -2.837 3.394 237 1HA GLY 31 2HA GLY 31 96.556 -1.753 1.272 238 2HA GLY 31 3HA GLY 31 97.436 -3.157 0.673 239 H THR 32 HN THR 32 95.435 -5.085 1.606 240 HA THR 32 HA THR 32 93.608 -4.921 -0.669 241 HB THR 32 HB THR 32 93.562 -6.864 1.664 242 HG1 THR 32 HG1 THR 32 95.298 -7.649 0.840 243 1HG2 THR 32 HG23 THR 32 91.772 -6.483 -0.424 244 2HG2 THR 32 HG22 THR 32 92.800 -7.792 -1.006 245 3HG2 THR 32 HG21 THR 32 91.941 -7.959 0.526 246 H PHE 33 HN PHE 33 91.635 -3.908 -0.609 247 HA PHE 33 HA PHE 33 90.345 -3.627 2.058 248 1HB PHE 33 2HB PHE 33 90.308 -1.358 1.997 249 2HB PHE 33 3HB PHE 33 91.662 -1.549 0.891 250 HD1 PHE 33 HD1 PHE 33 91.354 -1.238 -1.540 251 HD2 PHE 33 HD2 PHE 33 88.105 -0.808 1.218 252 HE1 PHE 33 HE1 PHE 33 90.001 -0.092 -3.283 253 HE2 PHE 33 HE2 PHE 33 86.784 0.319 -0.531 254 HZ PHE 33 HZ PHE 33 87.712 0.667 -2.770 255 H LEU 34 HN LEU 34 87.995 -2.832 1.769 256 HA LEU 34 HA LEU 34 86.815 -3.656 -0.822 257 1HB LEU 34 2HB LEU 34 85.342 -5.308 0.135 258 2HB LEU 34 3HB LEU 34 86.987 -5.724 0.604 259 HG LEU 34 HG LEU 34 86.028 -3.951 2.588 260 1HD1 LEU 34 HD12 LEU 34 83.770 -4.678 1.551 261 2HD1 LEU 34 HD11 LEU 34 84.109 -6.251 2.274 262 3HD1 LEU 34 HD13 LEU 34 83.965 -4.823 3.295 263 1HD2 LEU 34 HD21 LEU 34 86.538 -6.933 2.474 264 2HD2 LEU 34 HD23 LEU 34 87.583 -5.679 3.142 265 3HD2 LEU 34 HD22 LEU 34 86.090 -6.118 3.970 266 H VAL 35 HN VAL 35 84.430 -3.268 -0.857 267 HA VAL 35 HA VAL 35 83.657 -1.016 0.952 268 HB VAL 35 HB VAL 35 83.051 -1.406 -2.000 269 1HG1 VAL 35 HG13 VAL 35 81.603 0.062 0.059 270 2HG1 VAL 35 HG12 VAL 35 82.212 1.145 -1.196 271 3HG1 VAL 35 HG11 VAL 35 81.169 -0.212 -1.628 272 1HG2 VAL 35 HG22 VAL 35 84.711 0.509 -0.379 273 2HG2 VAL 35 HG21 VAL 35 85.205 -0.466 -1.768 274 3HG2 VAL 35 HG23 VAL 35 84.152 0.933 -1.995 275 H ARG 36 HN ARG 36 81.964 -1.540 2.209 276 HA ARG 36 HA ARG 36 79.883 -3.386 1.121 277 1HB ARG 36 2HB ARG 36 79.741 -4.576 3.253 278 2HB ARG 36 3HB ARG 36 81.382 -4.698 2.625 279 1HG ARG 36 2HG ARG 36 82.002 -2.741 4.093 280 2HG ARG 36 3HG ARG 36 80.398 -2.852 4.818 281 1HD ARG 36 2HD ARG 36 82.394 -5.119 4.722 282 2HD ARG 36 3HD ARG 36 82.136 -4.095 6.127 283 HE ARG 36 HE ARG 36 80.567 -6.371 5.337 284 1HH1 ARG 36 HH21 ARG 36 80.206 -3.140 6.504 285 2HH1 ARG 36 HH22 ARG 36 78.571 -3.382 7.021 286 1HH2 ARG 36 HH11 ARG 36 78.458 -6.693 6.006 287 2HH2 ARG 36 HH12 ARG 36 77.590 -5.397 6.761 288 H GLU 37 HN GLU 37 77.995 -3.337 3.063 289 HA GLU 37 HA GLU 37 77.351 -0.447 3.213 290 1HB GLU 37 2HB GLU 37 75.656 -2.890 3.833 291 2HB GLU 37 3HB GLU 37 75.078 -1.224 3.819 292 1HG GLU 37 2HG GLU 37 75.964 -1.136 1.399 293 2HG GLU 37 3HG GLU 37 76.028 -2.894 1.502 294 H SER 38 HN SER 38 76.097 0.092 5.399 295 HA SER 38 HA SER 38 77.982 -0.482 7.560 296 1HB SER 38 2HB SER 38 75.346 0.996 7.417 297 2HB SER 38 3HB SER 38 76.196 0.747 8.939 298 HG SER 38 HG SER 38 77.289 1.975 6.615 299 H SER 39 HN SER 39 76.022 -2.352 6.043 300 HA SER 39 HA SER 39 75.469 -4.557 6.706 301 1HB SER 39 2HB SER 39 76.461 -3.961 9.022 302 2HB SER 39 3HB SER 39 74.810 -3.550 9.477 303 HG SER 39 HG SER 39 75.976 -5.977 9.176 304 H LYS 40 HN LYS 40 73.383 -2.388 8.736 305 HA LYS 40 HA LYS 40 71.109 -3.431 7.095 306 1HB LYS 40 2HB LYS 40 71.177 -2.414 9.945 307 2HB LYS 40 3HB LYS 40 69.683 -2.746 9.070 308 1HG LYS 40 2HG LYS 40 71.017 -5.067 8.610 309 2HG LYS 40 3HG LYS 40 71.678 -4.637 10.189 310 1HD LYS 40 2HD LYS 40 69.416 -4.402 11.100 311 2HD LYS 40 3HD LYS 40 68.723 -4.782 9.520 312 1HE LYS 40 2HE LYS 40 69.733 -7.005 9.572 313 2HE LYS 40 3HE LYS 40 70.528 -6.634 11.102 314 1HZ LYS 40 HZ2 LYS 40 67.597 -6.675 10.649 315 2HZ LYS 40 HZ1 LYS 40 68.492 -7.894 11.424 316 3HZ LYS 40 HZ3 LYS 40 68.374 -6.355 12.126 317 H GLN 41 HN GLN 41 72.221 -0.370 8.652 318 HA GLN 41 HA GLN 41 70.104 1.166 7.425 319 1HB GLN 41 2HB GLN 41 71.319 3.149 8.149 320 2HB GLN 41 3HB GLN 41 71.345 1.950 9.438 321 1HG GLN 41 2HG GLN 41 73.606 1.263 8.794 322 2HG GLN 41 3HG GLN 41 73.578 2.392 7.439 323 1HE2 GLN 41 HE22 GLN 41 73.431 5.224 9.883 324 2HE2 GLN 41 HE21 GLN 41 72.385 4.642 8.681 325 H GLY 42 HN GLY 42 70.425 2.851 5.743 326 1HA GLY 42 2HA GLY 42 71.777 1.701 3.436 327 2HA GLY 42 3HA GLY 42 70.864 3.208 3.452 328 H CYS 43 HN CYS 43 73.778 2.199 5.280 329 HA CYS 43 HA CYS 43 75.135 4.628 4.171 330 1HB CYS 43 2HB CYS 43 75.513 3.229 6.834 331 2HB CYS 43 3HB CYS 43 76.511 4.567 6.262 332 HG CYS 43 HG CYS 43 74.224 5.994 6.159 333 H TYR 44 HN TYR 44 77.440 4.372 3.678 334 HA TYR 44 HA TYR 44 78.161 1.524 3.115 335 1HB TYR 44 2HB TYR 44 78.933 4.044 1.632 336 2HB TYR 44 3HB TYR 44 79.575 2.441 1.273 337 HD1 TYR 44 HD1 TYR 44 78.023 0.621 0.493 338 HD2 TYR 44 HD2 TYR 44 76.767 4.700 0.941 339 HE1 TYR 44 HE1 TYR 44 76.043 0.168 -0.939 340 HE2 TYR 44 HE2 TYR 44 74.793 4.256 -0.485 341 HH TYR 44 HH TYR 44 74.472 2.012 -2.524 342 H ALA 45 HN ALA 45 80.370 0.906 3.365 343 HA ALA 45 HA ALA 45 82.160 2.816 4.761 344 1HB ALA 45 HB1 ALA 45 80.988 0.308 5.918 345 2HB ALA 45 HB3 ALA 45 82.622 0.783 6.383 346 3HB ALA 45 HB2 ALA 45 81.266 1.866 6.692 347 H CYS 46 HN CYS 46 84.300 2.510 4.097 348 HA CYS 46 HA CYS 46 84.807 0.091 2.424 349 1HB CYS 46 2HB CYS 46 86.552 2.574 2.659 350 2HB CYS 46 3HB CYS 46 86.733 1.263 1.484 351 HG CYS 46 HG CYS 46 84.402 1.994 0.456 352 H SER 47 HN SER 47 85.683 -1.559 3.539 353 HA SER 47 HA SER 47 87.213 -0.968 5.992 354 1HB SER 47 2HB SER 47 85.498 -2.764 6.026 355 2HB SER 47 3HB SER 47 86.425 -3.643 4.810 356 HG SER 47 HG SER 47 87.750 -2.757 7.100 357 H VAL 48 HN VAL 48 89.390 -1.388 6.241 358 HA VAL 48 HA VAL 48 90.819 -2.411 3.832 359 HB VAL 48 HB VAL 48 92.049 -0.330 5.600 360 1HG1 VAL 48 HG12 VAL 48 92.990 -1.624 3.475 361 2HG1 VAL 48 HG11 VAL 48 92.148 -0.328 2.626 362 3HG1 VAL 48 HG13 VAL 48 93.407 0.058 3.795 363 1HG2 VAL 48 HG22 VAL 48 89.986 0.245 3.447 364 2HG2 VAL 48 HG21 VAL 48 89.831 0.604 5.167 365 3HG2 VAL 48 HG23 VAL 48 91.027 1.458 4.192 366 H VAL 49 HN VAL 49 92.906 -3.413 4.345 367 HA VAL 49 HA VAL 49 93.006 -4.482 7.130 368 HB VAL 49 HB VAL 49 94.423 -5.412 4.621 369 1HG1 VAL 49 HG12 VAL 49 95.030 -5.840 7.358 370 2HG1 VAL 49 HG11 VAL 49 94.355 -7.347 6.739 371 3HG1 VAL 49 HG13 VAL 49 95.759 -6.622 5.957 372 1HG2 VAL 49 HG22 VAL 49 91.968 -6.380 6.080 373 2HG2 VAL 49 HG21 VAL 49 92.170 -6.074 4.356 374 3HG2 VAL 49 HG23 VAL 49 92.930 -7.481 5.097 375 H VAL 50 HN VAL 50 94.790 -3.926 8.460 376 HA VAL 50 HA VAL 50 96.896 -2.324 7.077 377 HB VAL 50 HB VAL 50 95.399 -1.800 9.618 378 1HG1 VAL 50 HG13 VAL 50 98.315 -1.242 9.117 379 2HG1 VAL 50 HG12 VAL 50 97.351 -0.110 10.062 380 3HG1 VAL 50 HG11 VAL 50 97.527 -1.778 10.600 381 1HG2 VAL 50 HG21 VAL 50 96.543 -0.050 7.415 382 2HG2 VAL 50 HG23 VAL 50 94.867 -0.583 7.533 383 3HG2 VAL 50 HG22 VAL 50 95.535 0.509 8.746 384 H ASP 51 HN ASP 51 98.981 -2.539 7.755 385 HA ASP 51 HA ASP 51 99.929 -5.071 8.506 386 1HB ASP 51 2HB ASP 51 101.205 -2.329 8.696 387 2HB ASP 51 3HB ASP 51 102.094 -3.834 8.957 388 H GLY 52 HN GLY 52 98.076 -3.330 10.445 389 1HA GLY 52 2HA GLY 52 99.479 -4.345 12.858 390 2HA GLY 52 3HA GLY 52 98.858 -2.695 12.845 391 H GLU 53 HN GLU 53 96.371 -3.245 11.439 392 HA GLU 53 HA GLU 53 95.016 -5.354 12.946 393 1HB GLU 53 2HB GLU 53 94.999 -3.932 14.789 394 2HB GLU 53 3HB GLU 53 94.878 -2.477 13.797 395 1HG GLU 53 2HG GLU 53 92.591 -2.920 13.274 396 2HG GLU 53 3HG GLU 53 92.684 -4.544 13.955 397 H VAL 54 HN VAL 54 92.608 -5.362 12.446 398 HA VAL 54 HA VAL 54 92.150 -4.839 9.639 399 HB VAL 54 HB VAL 54 90.195 -5.449 11.886 400 1HG1 VAL 54 HG11 VAL 54 89.809 -4.812 9.047 401 2HG1 VAL 54 HG13 VAL 54 89.107 -6.362 9.509 402 3HG1 VAL 54 HG12 VAL 54 88.625 -4.892 10.351 403 1HG2 VAL 54 HG21 VAL 54 92.015 -7.132 11.373 404 2HG2 VAL 54 HG23 VAL 54 90.375 -7.739 11.156 405 3HG2 VAL 54 HG22 VAL 54 91.336 -7.276 9.753 406 H LYS 55 HN LYS 55 91.260 -2.992 8.681 407 HA LYS 55 HA LYS 55 90.436 -0.830 10.580 408 1HB LYS 55 2HB LYS 55 91.432 -0.526 7.729 409 2HB LYS 55 3HB LYS 55 91.080 0.774 8.870 410 1HG LYS 55 2HG LYS 55 93.291 -1.275 9.035 411 2HG LYS 55 3HG LYS 55 93.434 0.481 8.941 412 1HD LYS 55 2HD LYS 55 92.077 0.524 11.120 413 2HD LYS 55 3HD LYS 55 92.460 -1.192 11.243 414 1HE LYS 55 2HE LYS 55 94.761 -0.797 11.471 415 2HE LYS 55 3HE LYS 55 94.651 0.823 10.789 416 1HZ LYS 55 HZ3 LYS 55 93.465 -0.024 13.374 417 2HZ LYS 55 HZ2 LYS 55 94.911 0.856 13.209 418 3HZ LYS 55 HZ1 LYS 55 93.432 1.544 12.729 419 H HIS 56 HN HIS 56 88.459 0.099 10.309 420 HA HIS 56 HA HIS 56 86.791 -0.960 8.081 421 1HB HIS 56 2HB HIS 56 86.317 -1.716 10.508 422 2HB HIS 56 3HB HIS 56 85.738 -0.070 10.762 423 HD1 HIS 56 HD1 HIS 56 84.825 -3.303 9.187 424 HD2 HIS 56 HD2 HIS 56 83.450 0.618 9.157 425 HE1 HIS 56 HE1 HIS 56 82.506 -3.372 8.167 426 H CYS 57 HN CYS 57 87.326 0.924 6.772 427 HA CYS 57 HA CYS 57 86.972 3.626 7.769 428 1HB CYS 57 2HB CYS 57 88.158 2.581 5.550 429 2HB CYS 57 3HB CYS 57 86.635 3.152 4.864 430 HG CYS 57 HG CYS 57 88.866 4.939 5.994 431 H VAL 58 HN VAL 58 85.150 4.916 7.673 432 HA VAL 58 HA VAL 58 82.649 3.520 6.867 433 HB VAL 58 HB VAL 58 83.335 5.577 8.945 434 1HG1 VAL 58 HG13 VAL 58 80.718 5.197 7.536 435 2HG1 VAL 58 HG12 VAL 58 80.712 5.557 9.265 436 3HG1 VAL 58 HG11 VAL 58 81.466 6.681 8.131 437 1HG2 VAL 58 HG22 VAL 58 82.476 2.779 8.860 438 2HG2 VAL 58 HG21 VAL 58 83.186 3.693 10.189 439 3HG2 VAL 58 HG23 VAL 58 81.449 3.754 9.907 440 H ILE 59 HN ILE 59 81.471 4.294 5.205 441 HA ILE 59 HA ILE 59 82.194 6.976 4.115 442 HB ILE 59 HB ILE 59 80.759 4.687 2.718 443 1HG1 ILE 59 HG12 ILE 59 83.089 4.066 3.246 444 2HG1 ILE 59 HG11 ILE 59 82.893 4.339 1.517 445 1HG2 ILE 59 HG23 ILE 59 81.951 7.284 1.731 446 2HG2 ILE 59 HG22 ILE 59 81.350 6.001 0.685 447 3HG2 ILE 59 HG21 ILE 59 80.240 6.853 1.756 448 1HD1 ILE 59 HD12 ILE 59 83.650 6.765 2.027 449 2HD1 ILE 59 HD11 ILE 59 84.231 6.107 3.555 450 3HD1 ILE 59 HD13 ILE 59 84.873 5.495 2.033 451 H ASN 60 HN ASN 60 80.694 8.512 4.694 452 HA ASN 60 HA ASN 60 77.980 7.601 5.476 453 1HB ASN 60 2HB ASN 60 79.306 9.182 6.936 454 2HB ASN 60 3HB ASN 60 79.149 10.392 5.662 455 1HD2 ASN 60 HD22 ASN 60 76.170 11.386 7.312 456 2HD2 ASN 60 HD21 ASN 60 77.767 11.809 6.929 457 H LYS 61 HN LYS 61 76.492 7.522 3.839 458 HA LYS 61 HA LYS 61 76.823 9.250 1.488 459 1HB LYS 61 2HB LYS 61 76.024 6.872 1.323 460 2HB LYS 61 3HB LYS 61 74.528 7.378 2.111 461 1HG LYS 61 2HG LYS 61 74.278 9.129 0.293 462 2HG LYS 61 3HG LYS 61 75.628 8.361 -0.536 463 1HD LYS 61 2HD LYS 61 74.093 7.021 -1.504 464 2HD LYS 61 3HD LYS 61 73.949 6.229 0.065 465 1HE LYS 61 2HE LYS 61 72.177 7.865 0.695 466 2HE LYS 61 3HE LYS 61 72.287 8.572 -0.916 467 1HZ LYS 61 HZ2 LYS 61 72.036 5.826 -1.242 468 2HZ LYS 61 HZ1 LYS 61 70.870 6.281 -0.094 469 3HZ LYS 61 HZ3 LYS 61 70.890 7.021 -1.620 470 H THR 62 HN THR 62 76.050 11.265 1.440 471 HA THR 62 HA THR 62 73.449 11.877 2.748 472 HB THR 62 HB THR 62 75.993 13.495 3.128 473 HG1 THR 62 HG1 THR 62 74.827 12.869 5.386 474 1HG2 THR 62 HG21 THR 62 73.152 13.982 4.065 475 2HG2 THR 62 HG23 THR 62 74.558 14.921 4.569 476 3HG2 THR 62 HG22 THR 62 74.039 14.948 2.884 477 H ALA 63 HN ALA 63 72.474 13.877 1.843 478 HA ALA 63 HA ALA 63 72.648 14.018 -0.971 479 1HB ALA 63 HB1 ALA 63 71.484 15.748 1.158 480 2HB ALA 63 HB3 ALA 63 71.733 16.499 -0.417 481 3HB ALA 63 HB2 ALA 63 70.720 15.064 -0.275 482 H THR 64 HN THR 64 74.307 15.995 1.502 483 HA THR 64 HA THR 64 75.981 17.143 -0.672 484 HB THR 64 HB THR 64 76.468 18.888 1.064 485 HG1 THR 64 HG1 THR 64 75.928 17.702 2.881 486 1HG2 THR 64 HG22 THR 64 74.417 18.738 -0.688 487 2HG2 THR 64 HG21 THR 64 73.521 18.893 0.824 488 3HG2 THR 64 HG23 THR 64 74.689 20.129 0.359 489 H GLY 65 HN GLY 65 76.236 14.579 1.252 490 1HA GLY 65 2HA GLY 65 79.100 15.167 1.911 491 2HA GLY 65 3HA GLY 65 78.074 14.238 3.004 492 H TYR 66 HN TYR 66 79.266 12.335 2.898 493 HA TYR 66 HA TYR 66 78.653 10.329 1.115 494 1HB TYR 66 2HB TYR 66 79.610 11.441 -0.772 495 2HB TYR 66 3HB TYR 66 81.038 11.921 0.151 496 HD1 TYR 66 HD2 TYR 66 79.243 9.058 -1.366 497 HD2 TYR 66 HD1 TYR 66 82.855 10.393 0.536 498 HE1 TYR 66 HE2 TYR 66 80.348 6.920 -1.964 499 HE2 TYR 66 HE1 TYR 66 83.965 8.259 -0.068 500 HH TYR 66 HH TYR 66 83.139 6.318 -2.303 501 H GLY 67 HN GLY 67 80.711 11.803 3.352 502 1HA GLY 67 2HA GLY 67 81.300 10.049 5.191 503 2HA GLY 67 3HA GLY 67 82.207 9.279 3.884 504 H PHE 68 HN PHE 68 83.992 10.504 2.917 505 HA PHE 68 HA PHE 68 85.454 12.106 4.891 506 1HB PHE 68 2HB PHE 68 86.027 11.064 2.124 507 2HB PHE 68 3HB PHE 68 87.083 12.273 2.849 508 HD1 PHE 68 HD1 PHE 68 85.665 8.852 3.314 509 HD2 PHE 68 HD2 PHE 68 88.661 11.687 4.517 510 HE1 PHE 68 HE1 PHE 68 86.853 7.070 4.569 511 HE2 PHE 68 HE2 PHE 68 89.848 9.906 5.768 512 HZ PHE 68 HZ PHE 68 88.950 7.598 5.791 513 H ALA 69 HN ALA 69 86.124 14.323 4.538 514 HA ALA 69 HA ALA 69 84.652 15.770 2.372 515 1HB ALA 69 HB3 ALA 69 84.739 16.417 5.322 516 2HB ALA 69 HB2 ALA 69 84.322 17.624 4.105 517 3HB ALA 69 HB1 ALA 69 83.321 16.186 4.300 518 H GLU 70 HN GLU 70 87.508 14.981 2.570 519 HA GLU 70 HA GLU 70 89.108 17.197 3.405 520 1HB GLU 70 2HB GLU 70 89.916 14.848 2.718 521 2HB GLU 70 3HB GLU 70 89.804 15.429 1.057 522 1HG GLU 70 2HG GLU 70 92.040 15.886 1.674 523 2HG GLU 70 3HG GLU 70 91.209 17.431 1.824 524 HA PRO 71 HA PRO 71 88.282 18.956 -0.916 525 1HB PRO 71 2HB PRO 71 86.600 17.656 -2.595 526 2HB PRO 71 3HB PRO 71 88.284 17.148 -2.374 527 1HG PRO 71 2HG PRO 71 85.823 15.845 -1.484 528 2HG PRO 71 3HG PRO 71 87.452 15.179 -1.672 529 1HD PRO 71 2HD PRO 71 86.155 16.109 0.764 530 2HD PRO 71 3HD PRO 71 87.716 15.282 0.589 531 H TYR 72 HN TYR 72 86.309 18.646 1.478 532 HA TYR 72 HA TYR 72 84.435 19.821 2.224 533 1HB TYR 72 2HB TYR 72 84.464 21.134 -0.519 534 2HB TYR 72 3HB TYR 72 83.608 21.704 0.906 535 HD1 TYR 72 HD2 TYR 72 85.106 22.040 3.059 536 HD2 TYR 72 HD1 TYR 72 86.590 21.998 -0.970 537 HE1 TYR 72 HE2 TYR 72 87.133 23.260 3.794 538 HE2 TYR 72 HE1 TYR 72 88.617 23.226 -0.237 539 HH TYR 72 HH TYR 72 89.083 24.099 3.197 540 H ASN 73 HN ASN 73 84.206 17.226 1.036 541 HA ASN 73 HA ASN 73 82.551 15.770 0.217 542 1HB ASN 73 2HB ASN 73 80.791 18.151 0.920 543 2HB ASN 73 3HB ASN 73 80.188 16.542 0.522 544 1HD2 ASN 73 HD22 ASN 73 82.037 15.267 3.568 545 2HD2 ASN 73 HD21 ASN 73 82.261 15.034 1.900 546 H LEU 74 HN LEU 74 84.015 17.189 -1.693 547 HA LEU 74 HA LEU 74 81.910 17.908 -3.689 548 1HB LEU 74 2HB LEU 74 84.795 18.808 -3.508 549 2HB LEU 74 3HB LEU 74 83.688 19.233 -4.814 550 HG LEU 74 HG LEU 74 83.233 19.846 -1.880 551 1HD1 LEU 74 HD11 LEU 74 85.054 21.194 -2.887 552 2HD1 LEU 74 HD13 LEU 74 83.968 21.668 -4.192 553 3HD1 LEU 74 HD12 LEU 74 83.638 22.186 -2.540 554 1HD2 LEU 74 HD22 LEU 74 81.619 20.205 -4.388 555 2HD2 LEU 74 HD21 LEU 74 81.083 19.725 -2.779 556 3HD2 LEU 74 HD23 LEU 74 81.485 21.411 -3.108 557 H TYR 75 HN TYR 75 82.901 15.169 -3.118 558 HA TYR 75 HA TYR 75 84.776 14.318 -5.075 559 1HB TYR 75 2HB TYR 75 82.382 12.814 -3.964 560 2HB TYR 75 3HB TYR 75 83.721 12.083 -4.854 561 HD1 TYR 75 HD1 TYR 75 86.137 12.959 -3.917 562 HD2 TYR 75 HD2 TYR 75 82.505 12.612 -1.653 563 HE1 TYR 75 HE1 TYR 75 87.459 12.822 -1.823 564 HE2 TYR 75 HE2 TYR 75 83.823 12.472 0.447 565 HH TYR 75 HH TYR 75 86.960 13.396 0.697 566 H SER 76 HN SER 76 84.462 13.499 -7.212 567 HA SER 76 HA SER 76 82.089 14.657 -8.574 568 1HB SER 76 2HB SER 76 84.297 15.184 -9.522 569 2HB SER 76 3HB SER 76 84.643 13.467 -9.705 570 HG SER 76 HG SER 76 83.832 14.009 -11.633 571 H SER 77 HN SER 77 83.823 11.550 -8.316 572 HA SER 77 HA SER 77 81.254 10.214 -8.989 573 1HB SER 77 2HB SER 77 82.643 10.352 -11.052 574 2HB SER 77 3HB SER 77 83.924 9.479 -10.216 575 HG SER 77 HG SER 77 81.266 8.586 -10.666 576 H LEU 78 HN LEU 78 81.064 8.107 -8.141 577 HA LEU 78 HA LEU 78 82.383 7.668 -5.633 578 1HB LEU 78 2HB LEU 78 80.739 5.808 -7.372 579 2HB LEU 78 3HB LEU 78 81.232 5.454 -5.712 580 HG LEU 78 HG LEU 78 79.623 7.872 -6.564 581 1HD1 LEU 78 HD12 LEU 78 78.826 5.274 -5.230 582 2HD1 LEU 78 HD11 LEU 78 77.817 6.721 -5.216 583 3HD1 LEU 78 HD13 LEU 78 78.213 5.939 -6.745 584 1HD2 LEU 78 HD23 LEU 78 80.940 6.990 -4.054 585 2HD2 LEU 78 HD22 LEU 78 80.600 8.619 -4.632 586 3HD2 LEU 78 HD21 LEU 78 79.319 7.663 -3.886 587 H LYS 79 HN LYS 79 82.839 6.240 -8.874 588 HA LYS 79 HA LYS 79 84.786 4.313 -8.022 589 1HB LYS 79 2HB LYS 79 84.323 5.649 -10.703 590 2HB LYS 79 3HB LYS 79 85.501 4.361 -10.449 591 1HG LYS 79 2HG LYS 79 83.685 2.881 -9.623 592 2HG LYS 79 3HG LYS 79 82.513 4.161 -9.947 593 1HD LYS 79 2HD LYS 79 82.921 4.070 -12.303 594 2HD LYS 79 3HD LYS 79 84.359 3.073 -12.085 595 1HE LYS 79 2HE LYS 79 82.952 1.234 -11.220 596 2HE LYS 79 3HE LYS 79 81.513 2.225 -11.458 597 1HZ LYS 79 HZ2 LYS 79 82.122 2.371 -13.832 598 2HZ LYS 79 HZ1 LYS 79 83.388 1.273 -13.552 599 3HZ LYS 79 HZ3 LYS 79 81.780 0.786 -13.329 600 H GLU 80 HN GLU 80 85.036 7.685 -9.142 601 HA GLU 80 HA GLU 80 87.919 7.775 -9.130 602 1HB GLU 80 2HB GLU 80 85.870 9.991 -8.824 603 2HB GLU 80 3HB GLU 80 87.601 10.258 -9.042 604 1HG GLU 80 2HG GLU 80 87.538 9.095 -11.190 605 2HG GLU 80 3HG GLU 80 85.827 8.736 -10.962 606 H LEU 81 HN LEU 81 85.448 8.265 -6.673 607 HA LEU 81 HA LEU 81 87.098 9.459 -4.680 608 1HB LEU 81 2HB LEU 81 84.666 9.334 -4.449 609 2HB LEU 81 3HB LEU 81 84.739 7.576 -4.407 610 HG LEU 81 HG LEU 81 84.548 8.767 -2.142 611 1HD1 LEU 81 HD12 LEU 81 85.701 6.401 -2.863 612 2HD1 LEU 81 HD11 LEU 81 87.041 7.179 -2.022 613 3HD1 LEU 81 HD13 LEU 81 85.507 6.930 -1.194 614 1HD2 LEU 81 HD22 LEU 81 86.388 10.469 -2.893 615 2HD2 LEU 81 HD21 LEU 81 86.419 9.877 -1.233 616 3HD2 LEU 81 HD23 LEU 81 87.521 9.197 -2.431 617 H VAL 82 HN VAL 82 86.399 6.044 -5.429 618 HA VAL 82 HA VAL 82 88.059 4.946 -3.350 619 HB VAL 82 HB VAL 82 87.192 3.776 -6.016 620 1HG1 VAL 82 HG13 VAL 82 88.659 2.603 -3.649 621 2HG1 VAL 82 HG12 VAL 82 87.701 1.591 -4.729 622 3HG1 VAL 82 HG11 VAL 82 89.075 2.496 -5.357 623 1HG2 VAL 82 HG21 VAL 82 85.644 4.419 -3.840 624 2HG2 VAL 82 HG23 VAL 82 85.269 3.121 -4.974 625 3HG2 VAL 82 HG22 VAL 82 86.104 2.759 -3.462 626 H LEU 83 HN LEU 83 88.644 5.720 -6.777 627 HA LEU 83 HA LEU 83 91.284 4.706 -7.005 628 1HB LEU 83 2HB LEU 83 89.933 7.022 -8.395 629 2HB LEU 83 3HB LEU 83 91.503 6.373 -8.869 630 HG LEU 83 HG LEU 83 88.965 4.717 -8.695 631 1HD1 LEU 83 HD11 LEU 83 89.208 6.598 -10.528 632 2HD1 LEU 83 HD13 LEU 83 90.333 5.458 -11.261 633 3HD1 LEU 83 HD12 LEU 83 88.656 4.988 -10.989 634 1HD2 LEU 83 HD23 LEU 83 91.827 4.179 -9.291 635 2HD2 LEU 83 HD22 LEU 83 90.602 3.114 -8.604 636 3HD2 LEU 83 HD21 LEU 83 90.654 3.393 -10.345 637 H HIS 84 HN HIS 84 90.192 7.985 -6.026 638 HA HIS 84 HA HIS 84 92.814 9.101 -5.832 639 1HB HIS 84 2HB HIS 84 90.745 10.448 -5.864 640 2HB HIS 84 3HB HIS 84 90.330 9.839 -4.263 641 HD1 HIS 84 HD1 HIS 84 91.914 10.587 -2.259 642 HD2 HIS 84 HD2 HIS 84 92.658 12.530 -5.876 643 HE1 HIS 84 HE1 HIS 84 93.338 12.608 -1.709 644 H TYR 85 HN TYR 85 90.832 7.395 -3.402 645 HA TYR 85 HA TYR 85 92.606 7.851 -1.203 646 1HB TYR 85 2HB TYR 85 90.464 5.814 -1.764 647 2HB TYR 85 3HB TYR 85 91.481 5.660 -0.330 648 HD1 TYR 85 HD2 TYR 85 89.988 8.597 -2.133 649 HD2 TYR 85 HD1 TYR 85 90.371 6.436 1.560 650 HE1 TYR 85 HE2 TYR 85 88.682 10.356 -0.973 651 HE2 TYR 85 HE1 TYR 85 89.071 8.200 2.727 652 HH TYR 85 HH TYR 85 87.737 10.989 0.928 653 H GLN 86 HN GLN 86 92.838 5.658 -3.903 654 HA GLN 86 HA GLN 86 94.611 3.755 -2.623 655 1HB GLN 86 2HB GLN 86 94.789 4.395 -5.552 656 2HB GLN 86 3HB GLN 86 94.879 2.827 -4.742 657 1HG GLN 86 2HG GLN 86 92.426 3.279 -4.056 658 2HG GLN 86 3HG GLN 86 92.459 4.498 -5.308 659 1HE2 GLN 86 HE22 GLN 86 92.490 2.169 -7.985 660 2HE2 GLN 86 HE21 GLN 86 92.740 3.789 -7.547 661 H HIS 87 HN HIS 87 95.062 6.849 -4.241 662 HA HIS 87 HA HIS 87 97.996 6.589 -4.146 663 1HB HIS 87 2HB HIS 87 96.183 8.857 -5.007 664 2HB HIS 87 3HB HIS 87 97.946 8.894 -5.111 665 HD1 HIS 87 HD1 HIS 87 94.918 7.313 -6.631 666 HD2 HIS 87 HD2 HIS 87 99.056 7.183 -7.108 667 HE1 HIS 87 HE1 HIS 87 95.347 6.079 -8.796 668 H THR 88 HN THR 88 95.440 7.810 -2.188 669 HA THR 88 HA THR 88 97.338 9.472 -0.606 670 HB THR 88 HB THR 88 94.319 9.221 -0.369 671 HG1 THR 88 HG1 THR 88 94.825 10.211 -2.282 672 1HG2 THR 88 HG23 THR 88 95.525 9.937 1.703 673 2HG2 THR 88 HG22 THR 88 96.229 11.271 0.789 674 3HG2 THR 88 HG21 THR 88 94.485 11.200 1.042 675 H SER 89 HN SER 89 98.151 8.705 1.255 676 HA SER 89 HA SER 89 97.360 6.048 2.188 677 1HB SER 89 2HB SER 89 99.281 6.156 3.554 678 2HB SER 89 3HB SER 89 99.730 7.088 2.124 679 HG SER 89 HG SER 89 98.755 8.905 3.474 680 H LEU 90 HN LEU 90 96.207 5.591 4.029 681 HA LEU 90 HA LEU 90 94.537 7.717 5.118 682 1HB LEU 90 2HB LEU 90 94.845 4.779 5.757 683 2HB LEU 90 3HB LEU 90 93.720 5.827 6.620 684 HG LEU 90 HG LEU 90 93.093 6.467 4.054 685 1HD1 LEU 90 HD13 LEU 90 94.725 4.788 3.206 686 2HD1 LEU 90 HD12 LEU 90 93.800 3.527 4.018 687 3HD1 LEU 90 HD11 LEU 90 93.071 4.448 2.706 688 1HD2 LEU 90 HD23 LEU 90 92.060 4.514 6.040 689 2HD2 LEU 90 HD22 LEU 90 91.242 5.873 5.273 690 3HD2 LEU 90 HD21 LEU 90 91.440 4.354 4.399 691 H VAL 91 HN VAL 91 97.589 6.385 5.942 692 HA VAL 91 HA VAL 91 97.977 6.401 8.614 693 HB VAL 91 HB VAL 91 99.745 6.529 6.758 694 1HG1 VAL 91 HG12 VAL 91 98.922 8.817 6.006 695 2HG1 VAL 91 HG11 VAL 91 99.656 9.470 7.469 696 3HG1 VAL 91 HG13 VAL 91 100.663 8.685 6.253 697 1HG2 VAL 91 HG23 VAL 91 99.898 7.652 9.523 698 2HG2 VAL 91 HG22 VAL 91 100.688 6.228 8.845 699 3HG2 VAL 91 HG21 VAL 91 101.306 7.839 8.477 700 H GLN 92 HN GLN 92 97.428 9.408 6.765 701 HA GLN 92 HA GLN 92 97.638 11.153 9.027 702 1HB GLN 92 2HB GLN 92 96.638 12.844 7.611 703 2HB GLN 92 3HB GLN 92 97.760 11.891 6.641 704 1HG GLN 92 2HG GLN 92 95.616 10.436 6.144 705 2HG GLN 92 3HG GLN 92 94.763 11.909 6.604 706 1HE2 GLN 92 HE22 GLN 92 95.324 12.241 2.979 707 2HE2 GLN 92 HE21 GLN 92 94.361 11.311 4.021 708 H HIS 93 HN HIS 93 95.173 8.912 8.259 709 HA HIS 93 HA HIS 93 92.881 10.363 9.213 710 1HB HIS 93 2HB HIS 93 93.553 7.406 9.168 711 2HB HIS 93 3HB HIS 93 91.994 8.019 9.721 712 HD1 HIS 93 HD1 HIS 93 93.752 9.768 6.934 713 HD2 HIS 93 HD2 HIS 93 90.675 6.991 7.377 714 HE1 HIS 93 HE1 HIS 93 92.637 9.568 4.669 715 H ASN 94 HN ASN 94 95.209 8.220 10.810 716 HA ASN 94 HA ASN 94 94.668 9.620 13.378 717 1HB ASN 94 2HB ASN 94 94.767 6.605 13.002 718 2HB ASN 94 3HB ASN 94 94.759 7.419 14.567 719 1HD2 ASN 94 HD22 ASN 94 91.364 8.803 13.322 720 2HD2 ASN 94 HD21 ASN 94 92.890 9.546 13.288 721 H ASP 95 HN ASP 95 96.786 9.406 11.180 722 HA ASP 95 HA ASP 95 99.118 9.467 11.072 723 1HB ASP 95 2HB ASP 95 98.712 9.724 14.065 724 2HB ASP 95 3HB ASP 95 100.299 9.799 13.307 725 H SER 96 HN SER 96 97.489 6.877 11.681 726 HA SER 96 HA SER 96 99.912 5.213 11.993 727 1HB SER 96 2HB SER 96 97.452 4.892 13.738 728 2HB SER 96 3HB SER 96 98.800 3.760 13.676 729 HG SER 96 HG SER 96 99.954 6.008 14.047 730 H LEU 97 HN LEU 97 97.423 5.938 10.147 731 HA LEU 97 HA LEU 97 96.649 3.133 9.542 732 1HB LEU 97 2HB LEU 97 95.563 5.833 8.697 733 2HB LEU 97 3HB LEU 97 95.086 4.352 7.874 734 HG LEU 97 HG LEU 97 93.607 5.188 9.829 735 1HD1 LEU 97 HD12 LEU 97 94.621 2.435 9.298 736 2HD1 LEU 97 HD11 LEU 97 93.615 2.677 10.727 737 3HD1 LEU 97 HD13 LEU 97 92.992 3.082 9.130 738 1HD2 LEU 97 HD22 LEU 97 95.635 5.548 11.315 739 2HD2 LEU 97 HD21 LEU 97 94.323 4.626 12.046 740 3HD2 LEU 97 HD23 LEU 97 95.755 3.794 11.439 741 H ASN 98 HN ASN 98 99.063 2.994 8.910 742 HA ASN 98 HA ASN 98 99.847 4.357 6.461 743 1HB ASN 98 2HB ASN 98 101.422 3.623 8.290 744 2HB ASN 98 3HB ASN 98 101.170 1.961 7.750 745 1HD2 ASN 98 HD22 ASN 98 104.128 3.584 5.947 746 2HD2 ASN 98 HD21 ASN 98 103.721 3.523 7.594 747 H VAL 99 HN VAL 99 98.013 3.649 5.132 748 HA VAL 99 HA VAL 99 98.728 1.326 3.532 749 HB VAL 99 HB VAL 99 97.520 0.160 5.308 750 1HG1 VAL 99 HG12 VAL 99 95.434 2.271 4.754 751 2HG1 VAL 99 HG11 VAL 99 95.021 0.746 5.538 752 3HG1 VAL 99 HG13 VAL 99 96.173 1.845 6.297 753 1HG2 VAL 99 HG22 VAL 99 97.103 -0.207 2.705 754 2HG2 VAL 99 HG21 VAL 99 96.172 -1.103 3.906 755 3HG2 VAL 99 HG23 VAL 99 95.474 0.317 3.128 756 H THR 100 HN THR 100 97.438 1.222 1.576 757 HA THR 100 HA THR 100 95.705 3.620 1.156 758 HB THR 100 HB THR 100 96.650 3.996 -1.019 759 HG1 THR 100 HG1 THR 100 97.903 2.578 -1.994 760 1HG2 THR 100 HG23 THR 100 98.200 4.161 1.376 761 2HG2 THR 100 HG22 THR 100 99.284 3.744 0.048 762 3HG2 THR 100 HG21 THR 100 98.280 5.190 -0.053 763 H LEU 101 HN LEU 101 94.049 3.285 -0.460 764 HA LEU 101 HA LEU 101 93.130 0.506 -0.531 765 1HB LEU 101 2HB LEU 101 92.010 2.917 -1.988 766 2HB LEU 101 3HB LEU 101 91.167 1.418 -1.615 767 HG LEU 101 HG LEU 101 92.125 3.529 0.320 768 1HD1 LEU 101 HD11 LEU 101 89.860 3.652 -0.916 769 2HD1 LEU 101 HD13 LEU 101 89.390 2.275 0.079 770 3HD1 LEU 101 HD12 LEU 101 89.830 3.804 0.840 771 1HD2 LEU 101 HD23 LEU 101 91.296 0.660 0.772 772 2HD2 LEU 101 HD22 LEU 101 92.704 1.508 1.413 773 3HD2 LEU 101 HD21 LEU 101 91.093 1.879 2.031 774 H ALA 102 HN ALA 102 95.300 -0.008 -1.719 775 HA ALA 102 HA ALA 102 95.208 0.655 -4.605 776 1HB ALA 102 HB3 ALA 102 97.335 0.782 -3.185 777 2HB ALA 102 HB2 ALA 102 97.321 -0.984 -3.211 778 3HB ALA 102 HB1 ALA 102 97.460 -0.082 -4.719 779 H TYR 103 HN TYR 103 94.736 -2.130 -2.486 780 HA TYR 103 HA TYR 103 94.442 -3.784 -4.954 781 1HB TYR 103 2HB TYR 103 95.170 -4.609 -2.140 782 2HB TYR 103 3HB TYR 103 94.912 -5.731 -3.478 783 HD1 TYR 103 HD1 TYR 103 96.460 -5.819 -5.369 784 HD2 TYR 103 HD2 TYR 103 97.123 -3.156 -2.064 785 HE1 TYR 103 HE1 TYR 103 98.792 -5.456 -6.125 786 HE2 TYR 103 HE2 TYR 103 99.454 -2.795 -2.823 787 HH TYR 103 HH TYR 103 101.068 -4.693 -4.733 788 HA PRO 104 HA PRO 104 90.139 -4.132 -3.708 789 1HB PRO 104 2HB PRO 104 89.412 -5.922 -5.632 790 2HB PRO 104 3HB PRO 104 89.594 -4.187 -5.941 791 1HG PRO 104 2HG PRO 104 91.394 -6.429 -6.629 792 2HG PRO 104 3HG PRO 104 91.095 -4.907 -7.486 793 1HD PRO 104 2HD PRO 104 93.331 -5.414 -5.918 794 2HD PRO 104 3HD PRO 104 92.730 -3.796 -6.332 795 H VAL 105 HN VAL 105 88.828 -5.772 -2.691 796 HA VAL 105 HA VAL 105 90.372 -7.932 -1.492 797 HB VAL 105 HB VAL 105 88.689 -6.784 -0.180 798 1HG1 VAL 105 HG11 VAL 105 86.961 -7.545 -2.491 799 2HG1 VAL 105 HG13 VAL 105 86.224 -7.488 -0.893 800 3HG1 VAL 105 HG12 VAL 105 86.990 -6.051 -1.561 801 1HG2 VAL 105 HG23 VAL 105 89.130 -9.303 0.079 802 2HG2 VAL 105 HG22 VAL 105 87.641 -8.677 0.789 803 3HG2 VAL 105 HG21 VAL 105 87.590 -9.535 -0.751 804 H TYR 106 HN TYR 106 88.040 -7.636 -4.089 805 HA TYR 106 HA TYR 106 88.237 -10.582 -4.528 806 1HB TYR 106 2HB TYR 106 86.054 -8.599 -5.157 807 2HB TYR 106 3HB TYR 106 86.134 -10.170 -5.963 808 HD1 TYR 106 HD1 TYR 106 86.353 -12.269 -4.432 809 HD2 TYR 106 HD2 TYR 106 85.064 -8.413 -3.043 810 HE1 TYR 106 HE1 TYR 106 85.358 -13.323 -2.420 811 HE2 TYR 106 HE2 TYR 106 84.075 -9.470 -1.031 812 HH TYR 106 HH TYR 106 84.219 -12.997 -0.560 813 H ALA 107 HN ALA 107 90.376 -9.298 -5.373 814 HA ALA 107 HA ALA 107 90.284 -8.065 -7.941 815 1HB ALA 107 HB1 ALA 107 92.245 -8.419 -6.152 816 2HB ALA 107 HB3 ALA 107 92.620 -9.777 -7.213 817 3HB ALA 107 HB2 ALA 107 92.590 -8.136 -7.858 818 H GLN 108 HN GLN 108 90.214 -8.934 -9.988 819 HA GLN 108 HA GLN 108 89.530 -11.768 -10.210 820 1HB GLN 108 2HB GLN 108 89.935 -9.640 -12.333 821 2HB GLN 108 3HB GLN 108 89.259 -11.247 -12.613 822 1HG GLN 108 2HG GLN 108 88.090 -9.277 -10.629 823 2HG GLN 108 3HG GLN 108 87.524 -9.418 -12.292 824 1HE2 GLN 108 HE22 GLN 108 86.216 -12.807 -11.694 825 2HE2 GLN 108 HE21 GLN 108 87.122 -11.978 -12.866 826 H GLN 109 HN GLN 109 92.433 -10.105 -9.979 827 HA GLN 109 HA GLN 109 93.978 -11.536 -11.985 828 1HB GLN 109 2HB GLN 109 94.920 -10.166 -9.443 829 2HB GLN 109 3HB GLN 109 95.955 -10.702 -10.766 830 1HG GLN 109 2HG GLN 109 94.871 -9.157 -12.303 831 2HG GLN 109 3HG GLN 109 93.716 -8.685 -11.054 832 1HE2 GLN 109 HE22 GLN 109 96.400 -6.119 -10.950 833 2HE2 GLN 109 HE21 GLN 109 95.191 -6.584 -12.049 834 H ARG 110 HN ARG 110 95.184 -13.416 -11.724 835 HA ARG 110 HA ARG 110 95.710 -15.514 -10.842 836 1HB ARG 110 2HB ARG 110 95.498 -13.959 -8.244 837 2HB ARG 110 3HB ARG 110 96.121 -15.605 -8.373 838 1HG ARG 110 2HG ARG 110 97.252 -13.236 -9.889 839 2HG ARG 110 3HG ARG 110 97.935 -13.867 -8.388 840 1HD ARG 110 2HD ARG 110 97.692 -16.143 -9.911 841 2HD ARG 110 3HD ARG 110 98.104 -14.944 -11.130 842 HE ARG 110 HE ARG 110 99.987 -16.125 -9.462 843 1HH1 ARG 110 HH21 ARG 110 98.810 -12.915 -9.967 844 2HH1 ARG 110 HH22 ARG 110 100.275 -12.162 -9.448 845 1HH2 ARG 110 HH11 ARG 110 101.900 -15.152 -8.797 846 2HH2 ARG 110 HH12 ARG 110 102.023 -13.424 -8.785 847 H ARG 111 HN ARG 111 93.126 -15.306 -11.631 848 HA ARG 111 HA ARG 111 91.452 -16.326 -9.398 849 1HB ARG 111 2HB ARG 111 90.458 -14.561 -10.783 850 2HB ARG 111 3HB ARG 111 90.718 -15.531 -12.233 851 1HG ARG 111 2HG ARG 111 89.262 -17.294 -11.299 852 2HG ARG 111 3HG ARG 111 88.964 -16.287 -9.879 853 1HD ARG 111 2HD ARG 111 88.415 -14.539 -11.902 854 2HD ARG 111 3HD ARG 111 87.878 -16.055 -12.616 855 HE ARG 111 HE ARG 111 86.385 -14.609 -10.752 856 1HH1 ARG 111 HH21 ARG 111 87.803 -17.761 -10.896 857 2HH1 ARG 111 HH22 ARG 111 86.674 -18.453 -9.785 858 1HH2 ARG 111 HH11 ARG 111 84.879 -15.517 -9.358 859 2HH2 ARG 111 HH12 ARG 111 84.978 -17.202 -8.969 No H/Q in entry = 859 Start of MODEL 15 1 1H GLU 1 HT1 GLU 1 94.935 -1.157 -20.940 2 2H GLU 1 HT3 GLU 1 96.621 -1.274 -21.077 3 3H GLU 1 HT2 GLU 1 95.645 -2.601 -21.486 4 HA GLU 1 HA GLU 1 95.858 -3.365 -19.433 5 1HB GLU 1 2HB GLU 1 97.100 -0.658 -18.828 6 2HB GLU 1 3HB GLU 1 97.152 -2.060 -17.756 7 1HG GLU 1 2HG GLU 1 98.237 -2.021 -20.588 8 2HG GLU 1 3HG GLU 1 99.222 -1.823 -19.137 9 H ASP 2 HN ASP 2 93.648 -3.514 -18.982 10 HA ASP 2 HA ASP 2 92.052 -1.237 -18.215 11 1HB ASP 2 2HB ASP 2 91.579 -4.210 -17.883 12 2HB ASP 2 3HB ASP 2 90.369 -2.963 -17.559 13 H LEU 3 HN LEU 3 91.398 -0.574 -16.187 14 HA LEU 3 HA LEU 3 93.086 -1.517 -13.933 15 1HB LEU 3 2HB LEU 3 91.318 0.927 -14.263 16 2HB LEU 3 3HB LEU 3 92.248 0.568 -12.813 17 HG LEU 3 HG LEU 3 93.497 0.833 -15.558 18 1HD1 LEU 3 HD11 LEU 3 92.622 2.865 -13.597 19 2HD1 LEU 3 HD13 LEU 3 94.287 3.041 -14.151 20 3HD1 LEU 3 HD12 LEU 3 92.969 3.038 -15.320 21 1HD2 LEU 3 HD23 LEU 3 94.549 0.689 -12.721 22 2HD2 LEU 3 HD22 LEU 3 94.932 -0.382 -14.067 23 3HD2 LEU 3 HD21 LEU 3 95.534 1.273 -14.060 24 HA PRO 4 HA PRO 4 89.611 -3.809 -12.369 25 1HB PRO 4 2HB PRO 4 90.401 -3.950 -9.723 26 2HB PRO 4 3HB PRO 4 90.999 -5.011 -11.013 27 1HG PRO 4 2HG PRO 4 92.274 -2.642 -9.767 28 2HG PRO 4 3HG PRO 4 93.004 -4.138 -10.372 29 1HD PRO 4 2HD PRO 4 93.095 -1.776 -11.753 30 2HD PRO 4 3HD PRO 4 93.122 -3.367 -12.547 31 H HIS 5 HN HIS 5 90.252 -0.594 -11.600 32 HA HIS 5 HA HIS 5 88.230 -0.303 -9.511 33 1HB HIS 5 2HB HIS 5 89.632 1.794 -11.199 34 2HB HIS 5 3HB HIS 5 88.627 2.123 -9.785 35 HD1 HIS 5 HD1 HIS 5 89.483 0.541 -7.584 36 HD2 HIS 5 HD2 HIS 5 92.289 1.625 -10.467 37 HE1 HIS 5 HE1 HIS 5 91.758 0.224 -6.524 38 H HIS 6 HN HIS 6 88.189 -0.496 -12.947 39 HA HIS 6 HA HIS 6 85.951 1.183 -13.525 40 1HB HIS 6 2HB HIS 6 86.906 -1.381 -14.829 41 2HB HIS 6 3HB HIS 6 85.612 -0.376 -15.484 42 HD1 HIS 6 HD1 HIS 6 86.710 0.723 -17.462 43 HD2 HIS 6 HD2 HIS 6 89.052 0.972 -14.027 44 HE1 HIS 6 HE1 HIS 6 88.663 2.228 -18.035 45 H ASP 7 HN ASP 7 86.091 -2.293 -12.705 46 HA ASP 7 HA ASP 7 83.156 -2.256 -12.295 47 1HB ASP 7 2HB ASP 7 85.163 -4.521 -12.461 48 2HB ASP 7 3HB ASP 7 83.459 -4.749 -12.065 49 H GLU 8 HN GLU 8 82.350 -2.219 -10.226 50 HA GLU 8 HA GLU 8 84.186 -1.956 -8.014 51 1HB GLU 8 2HB GLU 8 82.261 -1.573 -6.656 52 2HB GLU 8 3HB GLU 8 81.947 -0.804 -8.204 53 1HG GLU 8 2HG GLU 8 81.032 -3.623 -7.625 54 2HG GLU 8 3HG GLU 8 80.054 -2.215 -7.222 55 H LYS 9 HN LYS 9 83.178 -4.611 -9.639 56 HA LYS 9 HA LYS 9 82.527 -6.507 -7.628 57 1HB LYS 9 2HB LYS 9 83.102 -8.160 -9.271 58 2HB LYS 9 3HB LYS 9 82.521 -6.768 -10.201 59 1HG LYS 9 2HG LYS 9 84.985 -5.983 -10.194 60 2HG LYS 9 3HG LYS 9 85.370 -7.631 -9.713 61 1HD LYS 9 2HD LYS 9 84.300 -8.501 -11.733 62 2HD LYS 9 3HD LYS 9 83.841 -6.864 -12.213 63 1HE LYS 9 2HE LYS 9 86.363 -6.306 -12.002 64 2HE LYS 9 3HE LYS 9 86.608 -8.053 -12.026 65 1HZ LYS 9 HZ1 LYS 9 84.924 -7.711 -14.081 66 2HZ LYS 9 HZ3 LYS 9 85.814 -6.269 -14.162 67 3HZ LYS 9 HZ2 LYS 9 86.617 -7.767 -14.235 68 H THR 10 HN THR 10 85.629 -5.286 -8.793 69 HA THR 10 HA THR 10 87.274 -7.189 -7.433 70 HB THR 10 HB THR 10 89.091 -5.586 -7.884 71 HG1 THR 10 HG1 THR 10 87.720 -3.805 -9.283 72 1HG2 THR 10 HG21 THR 10 87.524 -6.958 -9.696 73 2HG2 THR 10 HG23 THR 10 87.576 -5.333 -10.380 74 3HG2 THR 10 HG22 THR 10 89.079 -6.202 -10.058 75 H TRP 11 HN TRP 11 85.763 -4.200 -6.296 76 HA TRP 11 HA TRP 11 87.043 -4.779 -3.655 77 1HB TRP 11 2HB TRP 11 86.563 -2.120 -3.448 78 2HB TRP 11 3HB TRP 11 88.100 -2.797 -3.986 79 HD1 TRP 11 HD1 TRP 11 88.491 -2.941 -6.651 80 HE1 TRP 11 HE1 TRP 11 87.572 -1.521 -8.572 81 HE3 TRP 11 HE3 TRP 11 84.629 -0.673 -4.238 82 HZ2 TRP 11 HZ2 TRP 11 85.475 0.402 -9.006 83 HZ3 TRP 11 HZ3 TRP 11 83.189 0.957 -5.423 84 HH2 TRP 11 HH2 TRP 11 83.607 1.494 -7.804 85 H ASN 12 HN ASN 12 84.064 -4.240 -5.326 86 HA ASN 12 HA ASN 12 82.701 -3.678 -2.732 87 1HB ASN 12 2HB ASN 12 82.155 -2.182 -4.595 88 2HB ASN 12 3HB ASN 12 81.597 -3.558 -5.542 89 1HD2 ASN 12 HD22 ASN 12 78.411 -2.677 -4.191 90 2HD2 ASN 12 HD21 ASN 12 79.399 -2.584 -5.569 91 H VAL 13 HN VAL 13 81.904 -5.334 -1.652 92 HA VAL 13 HA VAL 13 80.615 -7.570 -3.138 93 HB VAL 13 HB VAL 13 82.947 -8.180 -2.326 94 1HG1 VAL 13 HG11 VAL 13 82.170 -6.868 -0.049 95 2HG1 VAL 13 HG13 VAL 13 81.898 -8.550 0.408 96 3HG1 VAL 13 HG12 VAL 13 83.499 -8.025 -0.120 97 1HG2 VAL 13 HG21 VAL 13 80.391 -9.567 -1.625 98 2HG2 VAL 13 HG23 VAL 13 81.661 -10.069 -2.744 99 3HG2 VAL 13 HG22 VAL 13 81.893 -10.252 -1.002 100 H GLY 14 HN GLY 14 79.492 -5.285 -1.916 101 1HA GLY 14 2HA GLY 14 78.606 -5.143 0.615 102 2HA GLY 14 3HA GLY 14 77.457 -5.006 -0.705 103 H SER 15 HN SER 15 77.930 -7.915 -1.450 104 HA SER 15 HA SER 15 75.775 -9.017 0.056 105 1HB SER 15 2HB SER 15 76.347 -11.152 -0.980 106 2HB SER 15 3HB SER 15 76.475 -9.865 -2.173 107 HG SER 15 HG SER 15 78.675 -10.736 -0.620 108 H SER 16 HN SER 16 78.896 -8.394 1.101 109 HA SER 16 HA SER 16 79.024 -10.747 2.893 110 1HB SER 16 2HB SER 16 80.925 -8.442 2.412 111 2HB SER 16 3HB SER 16 81.199 -9.697 3.621 112 HG SER 16 HG SER 16 82.100 -9.974 1.385 113 H ASN 17 HN ASN 17 79.418 -10.401 5.212 114 HA ASN 17 HA ASN 17 77.907 -8.040 6.248 115 1HB ASN 17 2HB ASN 17 78.194 -10.849 7.364 116 2HB ASN 17 3HB ASN 17 77.416 -9.518 8.225 117 1HD2 ASN 17 HD22 ASN 17 74.824 -11.447 6.264 118 2HD2 ASN 17 HD21 ASN 17 75.980 -11.904 7.427 119 H ARG 18 HN ARG 18 78.674 -7.346 8.487 120 HA ARG 18 HA ARG 18 81.452 -6.742 8.456 121 1HB ARG 18 2HB ARG 18 79.558 -6.831 10.827 122 2HB ARG 18 3HB ARG 18 81.137 -6.061 10.832 123 1HG ARG 18 2HG ARG 18 78.583 -5.120 9.667 124 2HG ARG 18 3HG ARG 18 79.941 -4.195 10.293 125 1HD ARG 18 2HD ARG 18 79.850 -5.564 7.585 126 2HD ARG 18 3HD ARG 18 79.665 -3.836 7.874 127 HE ARG 18 HE ARG 18 82.078 -4.418 9.074 128 1HH1 ARG 18 HH21 ARG 18 80.642 -4.903 5.979 129 2HH1 ARG 18 HH22 ARG 18 82.150 -4.877 5.133 130 1HH2 ARG 18 HH11 ARG 18 84.046 -4.384 7.993 131 2HH2 ARG 18 HH12 ARG 18 84.082 -4.583 6.271 132 H ASN 19 HN ASN 19 79.724 -9.356 10.191 133 HA ASN 19 HA ASN 19 82.013 -10.329 11.604 134 1HB ASN 19 2HB ASN 19 79.594 -11.003 11.982 135 2HB ASN 19 3HB ASN 19 79.726 -12.010 10.542 136 1HD2 ASN 19 HD22 ASN 19 81.193 -13.376 14.032 137 2HD2 ASN 19 HD21 ASN 19 80.269 -11.956 13.924 138 H LYS 20 HN LYS 20 80.664 -11.156 8.422 139 HA LYS 20 HA LYS 20 82.626 -13.151 7.780 140 1HB LYS 20 2HB LYS 20 80.450 -12.854 6.572 141 2HB LYS 20 3HB LYS 20 81.093 -11.369 5.868 142 1HG LYS 20 2HG LYS 20 82.950 -12.630 4.869 143 2HG LYS 20 3HG LYS 20 82.329 -14.120 5.581 144 1HD LYS 20 2HD LYS 20 80.186 -13.744 4.322 145 2HD LYS 20 3HD LYS 20 80.964 -12.387 3.509 146 1HE LYS 20 2HE LYS 20 82.727 -13.902 2.673 147 2HE LYS 20 3HE LYS 20 81.934 -15.261 3.473 148 1HZ LYS 20 HZ1 LYS 20 80.276 -13.637 1.724 149 2HZ LYS 20 HZ3 LYS 20 81.459 -14.580 0.959 150 3HZ LYS 20 HZ2 LYS 20 80.295 -15.322 1.952 151 H ALA 21 HN ALA 21 82.561 -9.651 7.569 152 HA ALA 21 HA ALA 21 84.726 -9.292 5.755 153 1HB ALA 21 HB1 ALA 21 83.139 -7.501 6.599 154 2HB ALA 21 HB3 ALA 21 84.073 -7.488 8.096 155 3HB ALA 21 HB2 ALA 21 84.839 -7.039 6.573 156 H GLU 22 HN GLU 22 84.669 -9.737 9.287 157 HA GLU 22 HA GLU 22 87.462 -9.325 9.721 158 1HB GLU 22 2HB GLU 22 85.421 -11.035 11.167 159 2HB GLU 22 3HB GLU 22 87.075 -10.830 11.740 160 1HG GLU 22 2HG GLU 22 85.145 -8.547 11.207 161 2HG GLU 22 3HG GLU 22 85.490 -9.214 12.806 162 H ASN 23 HN ASN 23 85.593 -12.235 8.881 163 HA ASN 23 HA ASN 23 87.810 -14.041 8.825 164 1HB ASN 23 2HB ASN 23 85.120 -14.074 7.435 165 2HB ASN 23 3HB ASN 23 86.280 -15.391 7.294 166 1HD2 ASN 23 HD22 ASN 23 84.047 -16.240 10.148 167 2HD2 ASN 23 HD21 ASN 23 83.859 -16.039 8.473 168 H LEU 24 HN LEU 24 86.250 -12.016 6.326 169 HA LEU 24 HA LEU 24 88.049 -12.843 4.201 170 1HB LEU 24 2HB LEU 24 86.247 -10.427 4.525 171 2HB LEU 24 3HB LEU 24 87.219 -10.708 3.084 172 HG LEU 24 HG LEU 24 85.177 -12.665 4.184 173 1HD1 LEU 24 HD11 LEU 24 85.038 -10.759 1.825 174 2HD1 LEU 24 HD13 LEU 24 83.826 -11.978 2.221 175 3HD1 LEU 24 HD12 LEU 24 84.103 -10.623 3.316 176 1HD2 LEU 24 HD23 LEU 24 87.256 -12.751 2.106 177 2HD2 LEU 24 HD22 LEU 24 86.381 -14.079 2.870 178 3HD2 LEU 24 HD21 LEU 24 85.659 -13.211 1.514 179 H LEU 25 HN LEU 25 88.015 -10.249 6.596 180 HA LEU 25 HA LEU 25 90.373 -8.903 5.510 181 1HB LEU 25 2HB LEU 25 88.954 -8.742 8.188 182 2HB LEU 25 3HB LEU 25 90.373 -7.780 7.797 183 HG LEU 25 HG LEU 25 87.940 -7.751 6.015 184 1HD1 LEU 25 HD11 LEU 25 88.286 -6.628 8.721 185 2HD1 LEU 25 HD13 LEU 25 87.794 -5.446 7.511 186 3HD1 LEU 25 HD12 LEU 25 86.809 -6.881 7.790 187 1HD2 LEU 25 HD23 LEU 25 90.444 -6.714 5.700 188 2HD2 LEU 25 HD22 LEU 25 88.998 -5.988 4.998 189 3HD2 LEU 25 HD21 LEU 25 89.645 -5.370 6.520 190 H ARG 26 HN ARG 26 89.763 -11.703 7.283 191 HA ARG 26 HA ARG 26 92.239 -11.712 8.813 192 1HB ARG 26 2HB ARG 26 90.949 -13.182 9.953 193 2HB ARG 26 3HB ARG 26 89.805 -13.295 8.618 194 1HG ARG 26 2HG ARG 26 91.153 -14.972 7.525 195 2HG ARG 26 3HG ARG 26 92.444 -14.783 8.713 196 1HD ARG 26 2HD ARG 26 90.787 -15.469 10.496 197 2HD ARG 26 3HD ARG 26 89.648 -15.846 9.204 198 HE ARG 26 HE ARG 26 91.879 -17.299 8.500 199 1HH1 ARG 26 HH21 ARG 26 90.027 -16.895 11.385 200 2HH1 ARG 26 HH22 ARG 26 90.267 -18.527 11.926 201 1HH2 ARG 26 HH11 ARG 26 92.197 -19.438 9.195 202 2HH2 ARG 26 HH12 ARG 26 91.489 -19.961 10.687 203 H GLY 27 HN GLY 27 94.175 -12.298 8.003 204 1HA GLY 27 2HA GLY 27 95.707 -13.553 6.689 205 2HA GLY 27 3HA GLY 27 94.343 -14.253 5.815 206 H LYS 28 HN LYS 28 94.008 -10.896 6.088 207 HA LYS 28 HA LYS 28 94.857 -10.602 3.257 208 1HB LYS 28 2HB LYS 28 93.062 -8.930 5.028 209 2HB LYS 28 3HB LYS 28 93.587 -8.409 3.424 210 1HG LYS 28 2HG LYS 28 92.250 -11.083 3.862 211 2HG LYS 28 3HG LYS 28 91.319 -9.616 3.572 212 1HD LYS 28 2HD LYS 28 91.638 -9.919 1.364 213 2HD LYS 28 3HD LYS 28 93.357 -9.618 1.620 214 1HE LYS 28 2HE LYS 28 93.156 -11.764 0.536 215 2HE LYS 28 3HE LYS 28 93.608 -12.061 2.213 216 1HZ LYS 28 HZ3 LYS 28 90.770 -11.898 1.799 217 2HZ LYS 28 HZ2 LYS 28 91.497 -13.173 0.946 218 3HZ LYS 28 HZ1 LYS 28 91.676 -13.064 2.631 219 H ARG 29 HN ARG 29 96.668 -9.541 2.793 220 HA ARG 29 HA ARG 29 98.274 -8.337 4.907 221 1HB ARG 29 2HB ARG 29 98.676 -8.482 1.904 222 2HB ARG 29 3HB ARG 29 99.867 -7.844 3.039 223 1HG ARG 29 2HG ARG 29 100.559 -9.915 3.581 224 2HG ARG 29 3HG ARG 29 98.908 -10.435 3.917 225 1HD ARG 29 2HD ARG 29 98.609 -10.613 1.374 226 2HD ARG 29 3HD ARG 29 100.359 -10.442 1.261 227 HE ARG 29 HE ARG 29 99.964 -12.491 3.109 228 1HH1 ARG 29 HH21 ARG 29 99.012 -11.761 -0.121 229 2HH1 ARG 29 HH22 ARG 29 98.957 -13.419 -0.621 230 1HH2 ARG 29 HH11 ARG 29 99.896 -14.659 2.480 231 2HH2 ARG 29 HH12 ARG 29 99.458 -15.062 0.853 232 H ASP 30 HN ASP 30 99.088 -6.109 4.744 233 HA ASP 30 HA ASP 30 97.065 -4.158 4.648 234 1HB ASP 30 2HB ASP 30 99.303 -3.892 5.726 235 2HB ASP 30 3HB ASP 30 100.022 -3.738 4.128 236 H GLY 31 HN GLY 31 96.290 -2.780 3.073 237 1HA GLY 31 2HA GLY 31 96.571 -1.643 0.894 238 2HA GLY 31 3HA GLY 31 97.419 -3.076 0.322 239 H THR 32 HN THR 32 95.447 -4.875 1.655 240 HA THR 32 HA THR 32 93.502 -4.895 -0.531 241 HB THR 32 HB THR 32 93.766 -6.711 1.870 242 HG1 THR 32 HG1 THR 32 95.582 -6.934 0.671 243 1HG2 THR 32 HG23 THR 32 91.843 -6.506 -0.305 244 2HG2 THR 32 HG22 THR 32 92.647 -8.080 -0.294 245 3HG2 THR 32 HG21 THR 32 91.790 -7.517 1.141 246 H PHE 33 HN PHE 33 91.554 -3.798 -0.388 247 HA PHE 33 HA PHE 33 90.357 -3.631 2.321 248 1HB PHE 33 2HB PHE 33 90.075 -1.373 2.288 249 2HB PHE 33 3HB PHE 33 91.561 -1.483 1.351 250 HD1 PHE 33 HD1 PHE 33 91.054 -1.961 -1.305 251 HD2 PHE 33 HD2 PHE 33 88.447 -0.005 1.482 252 HE1 PHE 33 HE1 PHE 33 89.922 -0.764 -3.168 253 HE2 PHE 33 HE2 PHE 33 87.318 1.161 -0.400 254 HZ PHE 33 HZ PHE 33 88.058 0.775 -2.706 255 H LEU 34 HN LEU 34 88.076 -3.320 2.373 256 HA LEU 34 HA LEU 34 86.685 -4.460 -0.012 257 1HB LEU 34 2HB LEU 34 85.930 -4.467 2.926 258 2HB LEU 34 3HB LEU 34 84.954 -5.161 1.643 259 HG LEU 34 HG LEU 34 86.357 -6.808 2.956 260 1HD1 LEU 34 HD11 LEU 34 85.456 -7.335 0.745 261 2HD1 LEU 34 HD13 LEU 34 86.864 -6.596 -0.015 262 3HD1 LEU 34 HD12 LEU 34 87.054 -8.056 0.953 263 1HD2 LEU 34 HD21 LEU 34 88.393 -5.161 2.887 264 2HD2 LEU 34 HD23 LEU 34 88.676 -6.894 2.756 265 3HD2 LEU 34 HD22 LEU 34 88.693 -5.894 1.311 266 H VAL 35 HN VAL 35 84.477 -3.733 -0.395 267 HA VAL 35 HA VAL 35 83.789 -1.066 0.737 268 HB VAL 35 HB VAL 35 83.804 -1.871 -2.187 269 1HG1 VAL 35 HG13 VAL 35 82.184 0.197 -0.720 270 2HG1 VAL 35 HG12 VAL 35 82.721 0.516 -2.373 271 3HG1 VAL 35 HG11 VAL 35 81.694 -0.879 -2.030 272 1HG2 VAL 35 HG21 VAL 35 85.542 -0.358 -0.528 273 2HG2 VAL 35 HG23 VAL 35 85.601 -0.503 -2.285 274 3HG2 VAL 35 HG22 VAL 35 84.687 0.809 -1.542 275 H ARG 36 HN ARG 36 81.898 -1.474 1.851 276 HA ARG 36 HA ARG 36 79.837 -3.141 0.468 277 1HB ARG 36 2HB ARG 36 80.763 -3.399 3.341 278 2HB ARG 36 3HB ARG 36 79.312 -4.172 2.698 279 1HG ARG 36 2HG ARG 36 80.515 -5.646 1.390 280 2HG ARG 36 3HG ARG 36 81.870 -4.542 1.214 281 1HD ARG 36 2HD ARG 36 82.551 -4.962 3.521 282 2HD ARG 36 3HD ARG 36 81.154 -6.014 3.765 283 HE ARG 36 HE ARG 36 82.450 -7.127 1.586 284 1HH1 ARG 36 HH21 ARG 36 83.339 -6.156 4.774 285 2HH1 ARG 36 HH22 ARG 36 84.555 -7.376 4.946 286 1HH2 ARG 36 HH11 ARG 36 84.026 -8.724 1.798 287 2HH2 ARG 36 HH12 ARG 36 84.943 -8.831 3.263 288 H GLU 37 HN GLU 37 77.661 -2.911 1.745 289 HA GLU 37 HA GLU 37 77.242 -0.032 2.095 290 1HB GLU 37 2HB GLU 37 74.836 -0.776 2.396 291 2HB GLU 37 3HB GLU 37 75.544 -1.235 0.848 292 1HG GLU 37 2HG GLU 37 75.837 -3.481 1.518 293 2HG GLU 37 3HG GLU 37 75.668 -3.083 3.229 294 H SER 38 HN SER 38 75.762 0.534 4.062 295 HA SER 38 HA SER 38 77.114 -0.460 6.471 296 1HB SER 38 2HB SER 38 74.795 1.463 6.080 297 2HB SER 38 3HB SER 38 75.559 1.122 7.633 298 HG SER 38 HG SER 38 77.210 2.309 7.065 299 H SER 39 HN SER 39 75.370 -1.955 4.530 300 HA SER 39 HA SER 39 73.980 -3.772 4.577 301 1HB SER 39 2HB SER 39 73.688 -4.974 6.622 302 2HB SER 39 3HB SER 39 75.279 -4.227 6.747 303 HG SER 39 HG SER 39 73.579 -4.026 8.540 304 H LYS 40 HN LYS 40 72.317 -3.153 7.504 305 HA LYS 40 HA LYS 40 69.834 -2.663 6.207 306 1HB LYS 40 2HB LYS 40 70.093 -3.506 8.560 307 2HB LYS 40 3HB LYS 40 70.563 -1.879 9.044 308 1HG LYS 40 2HG LYS 40 68.397 -1.012 8.188 309 2HG LYS 40 3HG LYS 40 67.916 -2.665 7.790 310 1HD LYS 40 2HD LYS 40 68.075 -3.319 10.141 311 2HD LYS 40 3HD LYS 40 68.671 -1.712 10.569 312 1HE LYS 40 2HE LYS 40 65.991 -2.154 9.236 313 2HE LYS 40 3HE LYS 40 66.188 -2.097 10.987 314 1HZ LYS 40 HZ1 LYS 40 67.553 0.078 9.928 315 2HZ LYS 40 HZ3 LYS 40 66.041 0.038 9.164 316 3HZ LYS 40 HZ2 LYS 40 66.135 0.093 10.860 317 H GLN 41 HN GLN 41 72.189 -0.371 7.605 318 HA GLN 41 HA GLN 41 70.483 1.926 7.018 319 1HB GLN 41 2HB GLN 41 73.425 1.791 7.769 320 2HB GLN 41 3HB GLN 41 72.462 3.266 7.691 321 1HG GLN 41 2HG GLN 41 70.896 2.254 9.380 322 2HG GLN 41 3HG GLN 41 72.026 0.909 9.545 323 1HE2 GLN 41 HE22 GLN 41 74.605 3.299 10.837 324 2HE2 GLN 41 HE21 GLN 41 74.510 2.258 9.501 325 H GLY 42 HN GLY 42 70.883 3.495 5.352 326 1HA GLY 42 2HA GLY 42 71.848 2.333 2.860 327 2HA GLY 42 3HA GLY 42 71.224 3.969 3.063 328 H CYS 43 HN CYS 43 73.563 3.456 5.389 329 HA CYS 43 HA CYS 43 75.429 5.195 3.970 330 1HB CYS 43 2HB CYS 43 75.552 3.878 6.695 331 2HB CYS 43 3HB CYS 43 76.788 4.977 6.078 332 HG CYS 43 HG CYS 43 74.803 6.793 5.868 333 H TYR 44 HN TYR 44 77.669 4.652 3.594 334 HA TYR 44 HA TYR 44 78.081 1.731 3.090 335 1HB TYR 44 2HB TYR 44 79.020 4.153 1.531 336 2HB TYR 44 3HB TYR 44 79.522 2.497 1.184 337 HD1 TYR 44 HD2 TYR 44 76.654 4.841 1.254 338 HD2 TYR 44 HD1 TYR 44 78.033 0.933 0.140 339 HE1 TYR 44 HE2 TYR 44 74.580 4.488 -0.067 340 HE2 TYR 44 HE1 TYR 44 75.960 0.575 -1.172 341 HH TYR 44 HH TYR 44 73.859 3.072 -2.004 342 H ALA 45 HN ALA 45 80.206 0.906 3.475 343 HA ALA 45 HA ALA 45 82.199 2.762 4.640 344 1HB ALA 45 HB2 ALA 45 81.132 0.325 6.107 345 2HB ALA 45 HB1 ALA 45 82.515 1.294 6.620 346 3HB ALA 45 HB3 ALA 45 80.901 2.006 6.589 347 H CYS 46 HN CYS 46 84.292 2.072 4.123 348 HA CYS 46 HA CYS 46 84.445 -0.520 2.667 349 1HB CYS 46 2HB CYS 46 86.418 1.780 2.524 350 2HB CYS 46 3HB CYS 46 86.333 0.382 1.447 351 HG CYS 46 HG CYS 46 83.879 1.336 0.755 352 H SER 47 HN SER 47 85.669 -2.111 3.489 353 HA SER 47 HA SER 47 87.016 -1.595 6.065 354 1HB SER 47 2HB SER 47 86.739 -3.823 6.512 355 2HB SER 47 3HB SER 47 85.491 -3.665 5.282 356 HG SER 47 HG SER 47 86.622 -5.164 4.323 357 H VAL 48 HN VAL 48 89.224 -1.511 6.320 358 HA VAL 48 HA VAL 48 90.885 -2.448 4.030 359 HB VAL 48 HB VAL 48 90.793 -0.059 3.805 360 1HG1 VAL 48 HG12 VAL 48 90.099 0.221 6.269 361 2HG1 VAL 48 HG11 VAL 48 91.827 0.223 6.618 362 3HG1 VAL 48 HG13 VAL 48 91.138 1.466 5.576 363 1HG2 VAL 48 HG23 VAL 48 93.012 -1.254 3.588 364 2HG2 VAL 48 HG22 VAL 48 93.134 0.470 3.956 365 3HG2 VAL 48 HG21 VAL 48 93.371 -0.723 5.234 366 H VAL 49 HN VAL 49 93.074 -2.967 4.591 367 HA VAL 49 HA VAL 49 93.417 -3.599 7.498 368 HB VAL 49 HB VAL 49 94.513 -5.121 5.117 369 1HG1 VAL 49 HG12 VAL 49 95.227 -5.049 7.922 370 2HG1 VAL 49 HG11 VAL 49 94.616 -6.645 7.494 371 3HG1 VAL 49 HG13 VAL 49 95.982 -5.960 6.614 372 1HG2 VAL 49 HG23 VAL 49 91.933 -5.161 6.141 373 2HG2 VAL 49 HG22 VAL 49 92.687 -6.461 5.211 374 3HG2 VAL 49 HG21 VAL 49 92.717 -6.505 6.974 375 H VAL 50 HN VAL 50 95.504 -3.193 8.393 376 HA VAL 50 HA VAL 50 97.320 -1.656 6.582 377 HB VAL 50 HB VAL 50 96.535 -1.172 9.450 378 1HG1 VAL 50 HG13 VAL 50 99.052 -0.314 8.005 379 2HG1 VAL 50 HG12 VAL 50 98.423 0.556 9.407 380 3HG1 VAL 50 HG11 VAL 50 98.923 -1.126 9.566 381 1HG2 VAL 50 HG21 VAL 50 95.442 -0.087 7.350 382 2HG2 VAL 50 HG23 VAL 50 95.946 0.984 8.660 383 3HG2 VAL 50 HG22 VAL 50 96.949 0.821 7.217 384 H ASP 51 HN ASP 51 99.610 -1.719 7.223 385 HA ASP 51 HA ASP 51 100.583 -4.350 7.545 386 1HB ASP 51 2HB ASP 51 102.774 -3.356 7.714 387 2HB ASP 51 3HB ASP 51 101.838 -2.356 6.600 388 H GLY 52 HN GLY 52 98.936 -2.770 9.844 389 1HA GLY 52 2HA GLY 52 100.299 -4.309 11.967 390 2HA GLY 52 3HA GLY 52 100.194 -2.572 12.215 391 H GLU 53 HN GLU 53 97.382 -2.780 10.780 392 HA GLU 53 HA GLU 53 95.869 -4.250 12.841 393 1HB GLU 53 2HB GLU 53 96.319 -2.202 14.044 394 2HB GLU 53 3HB GLU 53 95.833 -1.228 12.656 395 1HG GLU 53 2HG GLU 53 93.554 -1.888 12.864 396 2HG GLU 53 3HG GLU 53 93.952 -3.165 14.014 397 H VAL 54 HN VAL 54 93.436 -3.940 12.498 398 HA VAL 54 HA VAL 54 92.869 -3.487 9.593 399 HB VAL 54 HB VAL 54 91.546 -5.439 11.501 400 1HG1 VAL 54 HG13 VAL 54 90.946 -4.603 8.659 401 2HG1 VAL 54 HG12 VAL 54 90.423 -6.166 9.298 402 3HG1 VAL 54 HG11 VAL 54 89.842 -4.670 10.034 403 1HG2 VAL 54 HG22 VAL 54 93.419 -5.754 9.142 404 2HG2 VAL 54 HG21 VAL 54 93.661 -6.317 10.795 405 3HG2 VAL 54 HG23 VAL 54 92.448 -7.087 9.772 406 H LYS 55 HN LYS 55 91.371 -1.871 9.197 407 HA LYS 55 HA LYS 55 89.635 -1.066 11.516 408 1HB LYS 55 2HB LYS 55 90.340 0.895 9.364 409 2HB LYS 55 3HB LYS 55 89.946 1.189 11.058 410 1HG LYS 55 2HG LYS 55 92.239 1.550 11.046 411 2HG LYS 55 3HG LYS 55 92.149 -0.151 11.504 412 1HD LYS 55 2HD LYS 55 92.094 -0.332 8.771 413 2HD LYS 55 3HD LYS 55 93.132 1.078 9.002 414 1HE LYS 55 2HE LYS 55 94.756 -0.131 10.123 415 2HE LYS 55 3HE LYS 55 93.621 -1.368 10.656 416 1HZ LYS 55 HZ1 LYS 55 93.593 -1.371 7.882 417 2HZ LYS 55 HZ3 LYS 55 95.218 -1.355 8.356 418 3HZ LYS 55 HZ2 LYS 55 94.187 -2.577 8.921 419 H HIS 56 HN HIS 56 87.800 0.438 10.554 420 HA HIS 56 HA HIS 56 86.662 -0.861 8.119 421 1HB HIS 56 2HB HIS 56 85.349 -0.250 10.773 422 2HB HIS 56 3HB HIS 56 84.399 -0.423 9.298 423 HD1 HIS 56 HD1 HIS 56 85.577 -2.373 12.037 424 HD2 HIS 56 HD2 HIS 56 85.185 -3.068 7.952 425 HE1 HIS 56 HE1 HIS 56 85.537 -4.891 11.740 426 H CYS 57 HN CYS 57 87.543 1.067 7.001 427 HA CYS 57 HA CYS 57 86.966 3.738 7.736 428 1HB CYS 57 2HB CYS 57 87.222 2.553 4.955 429 2HB CYS 57 3HB CYS 57 87.271 4.275 5.327 430 HG CYS 57 HG CYS 57 89.473 3.870 6.691 431 H VAL 58 HN VAL 58 85.168 4.970 7.597 432 HA VAL 58 HA VAL 58 82.705 3.614 6.637 433 HB VAL 58 HB VAL 58 82.932 4.456 9.017 434 1HG1 VAL 58 HG12 VAL 58 84.086 6.612 8.138 435 2HG1 VAL 58 HG11 VAL 58 82.445 7.184 7.843 436 3HG1 VAL 58 HG13 VAL 58 82.948 6.759 9.476 437 1HG2 VAL 58 HG22 VAL 58 80.746 5.276 7.121 438 2HG2 VAL 58 HG21 VAL 58 80.725 4.031 8.371 439 3HG2 VAL 58 HG23 VAL 58 80.647 5.734 8.823 440 H ILE 59 HN ILE 59 81.578 4.428 4.928 441 HA ILE 59 HA ILE 59 82.586 6.951 3.701 442 HB ILE 59 HB ILE 59 80.876 4.769 2.462 443 1HG1 ILE 59 HG12 ILE 59 83.038 3.807 2.905 444 2HG1 ILE 59 HG11 ILE 59 83.020 4.251 1.199 445 1HG2 ILE 59 HG22 ILE 59 80.750 7.118 1.506 446 2HG2 ILE 59 HG21 ILE 59 82.462 6.956 1.106 447 3HG2 ILE 59 HG23 ILE 59 81.277 5.872 0.377 448 1HD1 ILE 59 HD13 ILE 59 84.114 6.443 1.876 449 2HD1 ILE 59 HD12 ILE 59 84.349 5.738 3.477 450 3HD1 ILE 59 HD11 ILE 59 85.116 5.005 2.069 451 H ASN 60 HN ASN 60 81.296 8.714 3.968 452 HA ASN 60 HA ASN 60 78.464 8.225 4.777 453 1HB ASN 60 2HB ASN 60 80.288 10.600 5.236 454 2HB ASN 60 3HB ASN 60 78.586 10.553 5.703 455 1HD2 ASN 60 HD22 ASN 60 79.739 7.487 7.785 456 2HD2 ASN 60 HD21 ASN 60 79.016 7.505 6.249 457 H LYS 61 HN LYS 61 76.926 8.675 3.327 458 HA LYS 61 HA LYS 61 77.562 10.534 1.079 459 1HB LYS 61 2HB LYS 61 75.487 8.333 1.311 460 2HB LYS 61 3HB LYS 61 75.654 9.409 -0.078 461 1HG LYS 61 2HG LYS 61 77.985 8.618 -0.390 462 2HG LYS 61 3HG LYS 61 77.774 7.509 0.968 463 1HD LYS 61 2HD LYS 61 77.395 6.267 -1.074 464 2HD LYS 61 3HD LYS 61 75.841 6.473 -0.261 465 1HE LYS 61 2HE LYS 61 75.099 8.074 -1.800 466 2HE LYS 61 3HE LYS 61 76.738 8.483 -2.310 467 1HZ LYS 61 HZ1 LYS 61 75.951 5.731 -2.742 468 2HZ LYS 61 HZ3 LYS 61 75.113 6.872 -3.675 469 3HZ LYS 61 HZ2 LYS 61 76.808 6.791 -3.756 470 H THR 62 HN THR 62 76.462 12.462 1.043 471 HA THR 62 HA THR 62 73.914 12.626 2.595 472 HB THR 62 HB THR 62 76.057 13.717 3.645 473 HG1 THR 62 HG1 THR 62 73.707 15.248 3.272 474 1HG2 THR 62 HG22 THR 62 76.356 14.880 1.290 475 2HG2 THR 62 HG21 THR 62 75.288 16.080 2.013 476 3HG2 THR 62 HG23 THR 62 76.828 15.690 2.781 477 H ALA 63 HN ALA 63 72.991 15.056 1.920 478 HA ALA 63 HA ALA 63 71.957 14.873 -0.636 479 1HB ALA 63 HB3 ALA 63 72.513 17.135 1.202 480 2HB ALA 63 HB2 ALA 63 72.286 17.576 -0.488 481 3HB ALA 63 HB1 ALA 63 71.019 16.702 0.372 482 H THR 64 HN THR 64 75.158 15.756 0.341 483 HA THR 64 HA THR 64 76.164 15.473 -2.393 484 HB THR 64 HB THR 64 76.495 18.136 -0.967 485 HG1 THR 64 HG1 THR 64 74.406 17.632 -2.002 486 1HG2 THR 64 HG23 THR 64 78.064 16.837 -2.936 487 2HG2 THR 64 HG22 THR 64 77.175 18.116 -3.763 488 3HG2 THR 64 HG21 THR 64 78.200 18.507 -2.380 489 H GLY 65 HN GLY 65 77.029 13.725 -0.866 490 1HA GLY 65 2HA GLY 65 79.690 14.538 0.062 491 2HA GLY 65 3HA GLY 65 78.601 14.042 1.356 492 H TYR 66 HN TYR 66 80.656 12.488 1.296 493 HA TYR 66 HA TYR 66 79.676 9.883 0.515 494 1HB TYR 66 2HB TYR 66 82.125 10.946 -0.939 495 2HB TYR 66 3HB TYR 66 81.470 9.317 -1.071 496 HD1 TYR 66 HD1 TYR 66 79.250 8.933 -2.158 497 HD2 TYR 66 HD2 TYR 66 81.120 12.803 -2.097 498 HE1 TYR 66 HE1 TYR 66 77.708 9.714 -3.942 499 HE2 TYR 66 HE2 TYR 66 79.582 13.576 -3.879 500 HH TYR 66 HH TYR 66 77.379 13.005 -4.768 501 H GLY 67 HN GLY 67 81.548 12.009 2.255 502 1HA GLY 67 2HA GLY 67 82.404 10.281 4.257 503 2HA GLY 67 3HA GLY 67 83.723 10.276 3.086 504 H PHE 68 HN PHE 68 85.300 11.623 3.896 505 HA PHE 68 HA PHE 68 84.431 14.125 5.240 506 1HB PHE 68 2HB PHE 68 86.837 14.344 5.878 507 2HB PHE 68 3HB PHE 68 86.094 12.860 6.468 508 HD1 PHE 68 HD2 PHE 68 86.651 10.695 5.498 509 HD2 PHE 68 HD1 PHE 68 88.517 14.300 4.093 510 HE1 PHE 68 HE2 PHE 68 88.385 9.350 4.364 511 HE2 PHE 68 HE1 PHE 68 90.263 12.951 2.954 512 HZ PHE 68 HZ PHE 68 90.210 10.471 3.098 513 H ALA 69 HN ALA 69 84.092 15.767 3.870 514 HA ALA 69 HA ALA 69 85.981 16.105 1.572 515 1HB ALA 69 HB2 ALA 69 83.064 16.884 1.875 516 2HB ALA 69 HB1 ALA 69 84.084 17.396 0.531 517 3HB ALA 69 HB3 ALA 69 83.737 15.683 0.771 518 H GLU 70 HN GLU 70 87.198 17.894 1.649 519 HA GLU 70 HA GLU 70 86.307 20.175 3.372 520 1HB GLU 70 2HB GLU 70 89.065 18.966 3.026 521 2HB GLU 70 3HB GLU 70 88.793 20.535 3.781 522 1HG GLU 70 2HG GLU 70 87.304 19.466 5.445 523 2HG GLU 70 3HG GLU 70 87.608 17.901 4.697 524 HA PRO 71 HA PRO 71 86.595 23.021 0.026 525 1HB PRO 71 2HB PRO 71 89.054 24.156 1.276 526 2HB PRO 71 3HB PRO 71 87.575 24.979 0.749 527 1HG PRO 71 2HG PRO 71 88.215 24.298 3.365 528 2HG PRO 71 3HG PRO 71 86.619 24.764 2.772 529 1HD PRO 71 2HD PRO 71 87.406 22.203 3.777 530 2HD PRO 71 3HD PRO 71 85.842 22.641 3.059 531 H TYR 72 HN TYR 72 89.523 21.402 1.155 532 HA TYR 72 HA TYR 72 90.693 21.532 -1.569 533 1HB TYR 72 2HB TYR 72 92.225 21.942 0.321 534 2HB TYR 72 3HB TYR 72 91.808 20.372 1.008 535 HD1 TYR 72 HD1 TYR 72 93.007 21.877 -2.218 536 HD2 TYR 72 HD2 TYR 72 93.139 18.521 0.469 537 HE1 TYR 72 HE1 TYR 72 94.701 20.787 -3.659 538 HE2 TYR 72 HE2 TYR 72 94.840 17.436 -0.974 539 HH TYR 72 HH TYR 72 96.155 19.095 -3.829 540 H ASN 73 HN ASN 73 89.264 19.327 0.752 541 HA ASN 73 HA ASN 73 89.594 17.051 -1.139 542 1HB ASN 73 2HB ASN 73 88.723 17.159 1.767 543 2HB ASN 73 3HB ASN 73 88.826 15.678 0.812 544 1HD2 ASN 73 HD22 ASN 73 92.546 16.661 0.439 545 2HD2 ASN 73 HD21 ASN 73 91.261 16.871 -0.652 546 H LEU 74 HN LEU 74 87.861 16.418 -2.347 547 HA LEU 74 HA LEU 74 85.101 16.867 -1.388 548 1HB LEU 74 2HB LEU 74 86.152 18.036 -3.983 549 2HB LEU 74 3HB LEU 74 84.448 17.937 -3.551 550 HG LEU 74 HG LEU 74 86.516 19.385 -1.879 551 1HD1 LEU 74 HD11 LEU 74 85.009 20.167 -4.294 552 2HD1 LEU 74 HD13 LEU 74 84.874 21.298 -2.948 553 3HD1 LEU 74 HD12 LEU 74 86.461 20.880 -3.594 554 1HD2 LEU 74 HD22 LEU 74 83.751 18.613 -1.502 555 2HD2 LEU 74 HD21 LEU 74 84.833 19.432 -0.373 556 3HD2 LEU 74 HD23 LEU 74 83.888 20.373 -1.528 557 H TYR 75 HN TYR 75 84.753 14.588 -1.478 558 HA TYR 75 HA TYR 75 85.582 12.928 -3.663 559 1HB TYR 75 2HB TYR 75 83.267 12.622 -1.731 560 2HB TYR 75 3HB TYR 75 83.838 11.349 -2.816 561 HD1 TYR 75 HD1 TYR 75 86.450 10.902 -2.716 562 HD2 TYR 75 HD2 TYR 75 84.149 12.717 0.425 563 HE1 TYR 75 HE1 TYR 75 88.197 10.274 -1.070 564 HE2 TYR 75 HE2 TYR 75 85.899 12.096 2.069 565 HH TYR 75 HH TYR 75 88.512 11.612 1.875 566 H SER 76 HN SER 76 84.771 12.808 -5.713 567 HA SER 76 HA SER 76 82.373 14.406 -6.358 568 1HB SER 76 2HB SER 76 83.013 14.107 -8.660 569 2HB SER 76 3HB SER 76 84.483 14.447 -7.755 570 HG SER 76 HG SER 76 83.721 11.784 -7.952 571 H SER 77 HN SER 77 83.479 11.036 -6.885 572 HA SER 77 HA SER 77 80.656 10.151 -6.608 573 1HB SER 77 2HB SER 77 82.490 9.409 -8.907 574 2HB SER 77 3HB SER 77 80.931 8.658 -8.585 575 HG SER 77 HG SER 77 80.279 11.072 -8.574 576 H LEU 78 HN LEU 78 80.625 7.654 -6.397 577 HA LEU 78 HA LEU 78 82.458 6.875 -4.335 578 1HB LEU 78 2HB LEU 78 80.585 5.237 -6.064 579 2HB LEU 78 3HB LEU 78 81.516 4.562 -4.725 580 HG LEU 78 HG LEU 78 79.625 6.917 -4.446 581 1HD1 LEU 78 HD11 LEU 78 79.221 3.986 -3.776 582 2HD1 LEU 78 HD13 LEU 78 78.130 5.290 -3.304 583 3HD1 LEU 78 HD12 LEU 78 78.355 4.903 -5.011 584 1HD2 LEU 78 HD23 LEU 78 81.565 5.547 -2.709 585 2HD2 LEU 78 HD22 LEU 78 80.830 7.140 -2.535 586 3HD2 LEU 78 HD21 LEU 78 79.963 5.706 -1.987 587 H LYS 79 HN LYS 79 82.416 6.265 -7.839 588 HA LYS 79 HA LYS 79 84.529 4.356 -7.930 589 1HB LYS 79 2HB LYS 79 83.721 6.526 -9.892 590 2HB LYS 79 3HB LYS 79 84.912 5.274 -10.259 591 1HG LYS 79 2HG LYS 79 83.227 3.532 -9.835 592 2HG LYS 79 3HG LYS 79 82.041 4.770 -9.429 593 1HD LYS 79 2HD LYS 79 82.130 5.671 -11.690 594 2HD LYS 79 3HD LYS 79 83.431 4.554 -12.117 595 1HE LYS 79 2HE LYS 79 81.869 2.652 -11.571 596 2HE LYS 79 3HE LYS 79 80.576 3.836 -11.393 597 1HZ LYS 79 HZ2 LYS 79 82.180 3.934 -13.836 598 2HZ LYS 79 HZ1 LYS 79 81.073 2.650 -13.678 599 3HZ LYS 79 HZ3 LYS 79 80.526 4.256 -13.609 600 H GLU 80 HN GLU 80 84.556 7.889 -7.850 601 HA GLU 80 HA GLU 80 87.408 8.195 -8.121 602 1HB GLU 80 2HB GLU 80 85.668 9.996 -8.472 603 2HB GLU 80 3HB GLU 80 85.477 10.065 -6.722 604 1HG GLU 80 2HG GLU 80 87.909 10.555 -6.503 605 2HG GLU 80 3HG GLU 80 88.037 10.571 -8.264 606 H LEU 81 HN LEU 81 85.244 7.672 -5.392 607 HA LEU 81 HA LEU 81 86.924 8.361 -3.240 608 1HB LEU 81 2HB LEU 81 84.575 7.632 -2.971 609 2HB LEU 81 3HB LEU 81 85.036 5.999 -3.442 610 HG LEU 81 HG LEU 81 86.747 6.161 -1.485 611 1HD1 LEU 81 HD11 LEU 81 85.875 8.735 -1.350 612 2HD1 LEU 81 HD13 LEU 81 84.825 7.974 -0.155 613 3HD1 LEU 81 HD12 LEU 81 86.576 7.867 0.012 614 1HD2 LEU 81 HD23 LEU 81 84.229 5.082 -1.685 615 2HD2 LEU 81 HD22 LEU 81 85.281 4.889 -0.286 616 3HD2 LEU 81 HD21 LEU 81 84.043 6.144 -0.292 617 H VAL 82 HN VAL 82 86.683 5.230 -4.941 618 HA VAL 82 HA VAL 82 88.778 3.986 -3.424 619 HB VAL 82 HB VAL 82 87.919 3.358 -6.260 620 1HG1 VAL 82 HG11 VAL 82 89.734 2.138 -4.297 621 2HG1 VAL 82 HG13 VAL 82 88.543 1.011 -4.954 622 3HG1 VAL 82 HG12 VAL 82 89.624 1.884 -6.039 623 1HG2 VAL 82 HG23 VAL 82 86.761 2.614 -3.573 624 2HG2 VAL 82 HG22 VAL 82 85.931 3.327 -4.953 625 3HG2 VAL 82 HG21 VAL 82 86.464 1.647 -5.017 626 H LEU 83 HN LEU 83 88.728 5.692 -6.535 627 HA LEU 83 HA LEU 83 91.516 5.330 -7.115 628 1HB LEU 83 2HB LEU 83 89.571 7.493 -7.976 629 2HB LEU 83 3HB LEU 83 91.166 7.240 -8.685 630 HG LEU 83 HG LEU 83 89.011 5.111 -8.583 631 1HD1 LEU 83 HD13 LEU 83 88.418 7.131 -9.988 632 2HD1 LEU 83 HD12 LEU 83 89.855 6.794 -10.955 633 3HD1 LEU 83 HD11 LEU 83 88.543 5.623 -10.892 634 1HD2 LEU 83 HD22 LEU 83 91.796 5.319 -9.656 635 2HD2 LEU 83 HD21 LEU 83 90.977 3.942 -8.916 636 3HD2 LEU 83 HD23 LEU 83 90.622 4.387 -10.587 637 H HIS 84 HN HIS 84 89.727 7.973 -5.533 638 HA HIS 84 HA HIS 84 91.914 9.748 -5.191 639 1HB HIS 84 2HB HIS 84 89.503 10.304 -4.818 640 2HB HIS 84 3HB HIS 84 89.562 9.377 -3.317 641 HD1 HIS 84 HD1 HIS 84 91.142 12.420 -4.943 642 HD2 HIS 84 HD2 HIS 84 90.675 10.740 -1.158 643 HE1 HIS 84 HE1 HIS 84 91.991 14.136 -3.290 644 H TYR 85 HN TYR 85 90.717 7.184 -3.005 645 HA TYR 85 HA TYR 85 92.745 7.749 -1.008 646 1HB TYR 85 2HB TYR 85 90.458 5.980 -1.299 647 2HB TYR 85 3HB TYR 85 91.830 5.134 -0.598 648 HD1 TYR 85 HD2 TYR 85 93.204 7.131 1.009 649 HD2 TYR 85 HD1 TYR 85 88.984 6.554 0.413 650 HE1 TYR 85 HE2 TYR 85 92.747 8.210 3.190 651 HE2 TYR 85 HE1 TYR 85 88.533 7.625 2.601 652 HH TYR 85 HH TYR 85 90.990 8.220 4.888 653 H GLN 86 HN GLN 86 92.637 5.851 -3.880 654 HA GLN 86 HA GLN 86 94.726 3.984 -3.196 655 1HB GLN 86 2HB GLN 86 93.662 3.276 -5.120 656 2HB GLN 86 3HB GLN 86 93.337 4.919 -5.668 657 1HG GLN 86 2HG GLN 86 94.984 3.752 -7.124 658 2HG GLN 86 3HG GLN 86 95.673 5.184 -6.365 659 1HE2 GLN 86 HE22 GLN 86 97.907 2.126 -5.937 660 2HE2 GLN 86 HE21 GLN 86 97.118 2.759 -7.303 661 H HIS 87 HN HIS 87 94.634 7.176 -4.715 662 HA HIS 87 HA HIS 87 97.499 7.312 -5.150 663 1HB HIS 87 2HB HIS 87 95.825 8.610 -6.474 664 2HB HIS 87 3HB HIS 87 95.483 9.571 -5.035 665 HD1 HIS 87 HD1 HIS 87 96.424 11.554 -6.686 666 HD2 HIS 87 HD2 HIS 87 99.230 8.822 -5.251 667 HE1 HIS 87 HE1 HIS 87 98.701 12.619 -7.023 668 H THR 88 HN THR 88 95.285 8.521 -2.635 669 HA THR 88 HA THR 88 97.628 9.612 -1.165 670 HB THR 88 HB THR 88 94.690 9.814 -0.462 671 HG1 THR 88 HG1 THR 88 95.482 12.101 -1.251 672 1HG2 THR 88 HG21 THR 88 97.146 11.333 0.455 673 2HG2 THR 88 HG23 THR 88 95.489 11.703 0.928 674 3HG2 THR 88 HG22 THR 88 96.223 10.179 1.419 675 H SER 89 HN SER 89 98.317 8.824 0.752 676 HA SER 89 HA SER 89 97.482 6.102 1.459 677 1HB SER 89 2HB SER 89 99.431 6.094 2.843 678 2HB SER 89 3HB SER 89 99.872 6.979 1.382 679 HG SER 89 HG SER 89 99.084 8.877 2.710 680 H LEU 90 HN LEU 90 96.451 5.520 3.390 681 HA LEU 90 HA LEU 90 94.805 7.552 4.674 682 1HB LEU 90 2HB LEU 90 95.303 4.611 5.198 683 2HB LEU 90 3HB LEU 90 94.252 5.578 6.233 684 HG LEU 90 HG LEU 90 92.985 6.240 4.124 685 1HD1 LEU 90 HD13 LEU 90 94.827 4.120 3.031 686 2HD1 LEU 90 HD12 LEU 90 93.288 4.499 2.260 687 3HD1 LEU 90 HD11 LEU 90 94.534 5.738 2.398 688 1HD2 LEU 90 HD22 LEU 90 93.110 3.447 5.228 689 2HD2 LEU 90 HD21 LEU 90 91.837 4.654 5.409 690 3HD2 LEU 90 HD23 LEU 90 92.030 3.798 3.878 691 H VAL 91 HN VAL 91 97.980 6.302 5.229 692 HA VAL 91 HA VAL 91 98.508 6.301 7.898 693 HB VAL 91 HB VAL 91 100.194 6.426 5.928 694 1HG1 VAL 91 HG13 VAL 91 99.408 8.737 5.261 695 2HG1 VAL 91 HG12 VAL 91 100.159 9.344 6.737 696 3HG1 VAL 91 HG11 VAL 91 101.152 8.594 5.486 697 1HG2 VAL 91 HG22 VAL 91 100.742 7.846 8.553 698 2HG2 VAL 91 HG21 VAL 91 100.836 6.104 8.287 699 3HG2 VAL 91 HG23 VAL 91 101.975 7.185 7.480 700 H GLN 92 HN GLN 92 97.896 9.290 6.049 701 HA GLN 92 HA GLN 92 98.316 11.191 8.040 702 1HB GLN 92 2HB GLN 92 97.564 11.652 5.678 703 2HB GLN 92 3HB GLN 92 95.930 11.193 6.166 704 1HG GLN 92 2HG GLN 92 96.222 13.641 6.279 705 2HG GLN 92 3HG GLN 92 95.948 12.965 7.890 706 1HE2 GLN 92 HE22 GLN 92 99.912 13.678 7.158 707 2HE2 GLN 92 HE21 GLN 92 99.006 12.745 6.068 708 H HIS 93 HN HIS 93 95.360 9.250 7.545 709 HA HIS 93 HA HIS 93 93.923 10.379 9.745 710 1HB HIS 93 2HB HIS 93 92.911 8.929 7.968 711 2HB HIS 93 3HB HIS 93 93.740 7.544 8.683 712 HD1 HIS 93 HD1 HIS 93 91.381 10.323 9.823 713 HD2 HIS 93 HD2 HIS 93 92.251 6.334 10.667 714 HE1 HIS 93 HE1 HIS 93 89.709 9.582 11.574 715 H ASN 94 HN ASN 94 94.171 10.037 11.926 716 HA ASN 94 HA ASN 94 95.156 9.259 13.907 717 1HB ASN 94 2HB ASN 94 95.052 6.676 12.323 718 2HB ASN 94 3HB ASN 94 95.376 6.775 14.051 719 1HD2 ASN 94 HD22 ASN 94 91.658 6.288 13.359 720 2HD2 ASN 94 HD21 ASN 94 93.023 5.479 12.758 721 H ASP 95 HN ASP 95 96.829 9.449 11.057 722 HA ASP 95 HA ASP 95 99.123 9.469 10.533 723 1HB ASP 95 2HB ASP 95 99.287 9.692 13.552 724 2HB ASP 95 3HB ASP 95 100.656 9.914 12.463 725 H SER 96 HN SER 96 97.731 6.814 11.223 726 HA SER 96 HA SER 96 100.263 5.279 11.437 727 1HB SER 96 2HB SER 96 97.856 4.890 13.227 728 2HB SER 96 3HB SER 96 99.123 3.684 13.038 729 HG SER 96 HG SER 96 99.723 4.921 14.754 730 H LEU 97 HN LEU 97 97.770 5.860 9.547 731 HA LEU 97 HA LEU 97 97.145 3.000 9.000 732 1HB LEU 97 2HB LEU 97 95.862 5.599 8.168 733 2HB LEU 97 3HB LEU 97 95.529 4.105 7.295 734 HG LEU 97 HG LEU 97 95.057 3.094 9.643 735 1HD1 LEU 97 HD11 LEU 97 95.983 5.195 10.771 736 2HD1 LEU 97 HD13 LEU 97 94.494 5.992 10.276 737 3HD1 LEU 97 HD12 LEU 97 94.436 4.611 11.369 738 1HD2 LEU 97 HD21 LEU 97 93.373 3.648 7.821 739 2HD2 LEU 97 HD23 LEU 97 92.735 3.689 9.466 740 3HD2 LEU 97 HD22 LEU 97 93.123 5.194 8.632 741 H ASN 98 HN ASN 98 99.443 2.836 8.291 742 HA ASN 98 HA ASN 98 100.208 4.242 5.864 743 1HB ASN 98 2HB ASN 98 101.778 3.443 7.672 744 2HB ASN 98 3HB ASN 98 101.466 1.795 7.128 745 1HD2 ASN 98 HD22 ASN 98 104.303 2.328 5.051 746 2HD2 ASN 98 HD21 ASN 98 103.734 1.569 6.459 747 H VAL 99 HN VAL 99 98.207 3.588 4.722 748 HA VAL 99 HA VAL 99 98.679 1.123 3.175 749 HB VAL 99 HB VAL 99 97.327 0.244 4.960 750 1HG1 VAL 99 HG13 VAL 99 96.546 2.463 5.794 751 2HG1 VAL 99 HG12 VAL 99 95.417 2.540 4.441 752 3HG1 VAL 99 HG11 VAL 99 95.239 1.286 5.667 753 1HG2 VAL 99 HG23 VAL 99 96.648 -0.071 2.423 754 2HG2 VAL 99 HG22 VAL 99 95.594 -0.677 3.703 755 3HG2 VAL 99 HG21 VAL 99 95.224 0.852 2.907 756 H THR 100 HN THR 100 97.447 1.100 1.216 757 HA THR 100 HA THR 100 96.095 3.681 0.527 758 HB THR 100 HB THR 100 97.125 3.558 -1.706 759 HG1 THR 100 HG1 THR 100 97.368 1.297 -1.764 760 1HG2 THR 100 HG23 THR 100 98.748 3.716 0.771 761 2HG2 THR 100 HG22 THR 100 99.654 3.543 -0.734 762 3HG2 THR 100 HG21 THR 100 98.548 4.899 -0.521 763 H LEU 101 HN LEU 101 94.127 3.362 -0.519 764 HA LEU 101 HA LEU 101 93.145 0.627 -0.672 765 1HB LEU 101 2HB LEU 101 91.932 3.162 -1.824 766 2HB LEU 101 3HB LEU 101 91.090 1.638 -1.542 767 HG LEU 101 HG LEU 101 92.337 3.417 0.578 768 1HD1 LEU 101 HD11 LEU 101 89.954 3.782 -0.650 769 2HD1 LEU 101 HD13 LEU 101 89.469 2.641 0.604 770 3HD1 LEU 101 HD12 LEU 101 90.224 4.170 1.047 771 1HD2 LEU 101 HD21 LEU 101 91.435 0.603 0.585 772 2HD2 LEU 101 HD23 LEU 101 92.568 1.420 1.653 773 3HD2 LEU 101 HD22 LEU 101 90.833 1.582 1.916 774 H ALA 102 HN ALA 102 95.085 0.054 -2.043 775 HA ALA 102 HA ALA 102 94.575 0.632 -4.928 776 1HB ALA 102 HB2 ALA 102 96.808 1.231 -3.573 777 2HB ALA 102 HB1 ALA 102 97.195 -0.433 -4.010 778 3HB ALA 102 HB3 ALA 102 96.841 0.749 -5.269 779 H TYR 103 HN TYR 103 94.424 -1.909 -2.630 780 HA TYR 103 HA TYR 103 94.782 -3.882 -4.858 781 1HB TYR 103 2HB TYR 103 95.283 -4.246 -1.890 782 2HB TYR 103 3HB TYR 103 95.366 -5.540 -3.086 783 HD1 TYR 103 HD1 TYR 103 97.172 -5.609 -4.758 784 HD2 TYR 103 HD2 TYR 103 96.984 -2.497 -1.798 785 HE1 TYR 103 HE1 TYR 103 99.519 -4.978 -5.267 786 HE2 TYR 103 HE2 TYR 103 99.328 -1.870 -2.306 787 HH TYR 103 HH TYR 103 100.916 -2.733 -5.011 788 HA PRO 104 HA PRO 104 90.320 -4.238 -3.874 789 1HB PRO 104 2HB PRO 104 90.474 -6.020 -6.241 790 2HB PRO 104 3HB PRO 104 89.387 -4.667 -5.918 791 1HG PRO 104 2HG PRO 104 91.365 -4.484 -7.700 792 2HG PRO 104 3HG PRO 104 90.872 -3.105 -6.706 793 1HD PRO 104 2HD PRO 104 93.280 -4.865 -6.420 794 2HD PRO 104 3HD PRO 104 93.106 -3.128 -6.090 795 H VAL 105 HN VAL 105 89.274 -6.001 -2.847 796 HA VAL 105 HA VAL 105 90.959 -8.154 -1.916 797 HB VAL 105 HB VAL 105 88.822 -7.121 -0.836 798 1HG1 VAL 105 HG12 VAL 105 87.415 -7.651 -2.864 799 2HG1 VAL 105 HG11 VAL 105 87.587 -9.360 -2.470 800 3HG1 VAL 105 HG13 VAL 105 86.750 -8.280 -1.357 801 1HG2 VAL 105 HG22 VAL 105 89.990 -9.801 -0.738 802 2HG2 VAL 105 HG21 VAL 105 89.494 -8.741 0.584 803 3HG2 VAL 105 HG23 VAL 105 88.309 -9.781 -0.208 804 H TYR 106 HN TYR 106 88.591 -7.814 -4.512 805 HA TYR 106 HA TYR 106 89.088 -10.641 -5.302 806 1HB TYR 106 2HB TYR 106 86.858 -8.738 -6.006 807 2HB TYR 106 3HB TYR 106 87.096 -10.279 -6.825 808 HD1 TYR 106 HD1 TYR 106 87.490 -12.338 -5.175 809 HD2 TYR 106 HD2 TYR 106 85.459 -8.695 -4.143 810 HE1 TYR 106 HE1 TYR 106 86.335 -13.507 -3.321 811 HE2 TYR 106 HE2 TYR 106 84.307 -9.871 -2.285 812 HH TYR 106 HH TYR 106 85.230 -12.497 -0.924 813 H ALA 107 HN ALA 107 91.172 -8.866 -5.844 814 HA ALA 107 HA ALA 107 90.861 -8.155 -8.714 815 1HB ALA 107 HB3 ALA 107 92.362 -7.079 -6.519 816 2HB ALA 107 HB2 ALA 107 93.492 -7.593 -7.771 817 3HB ALA 107 HB1 ALA 107 92.208 -6.447 -8.158 818 H GLN 108 HN GLN 108 93.580 -9.549 -6.850 819 HA GLN 108 HA GLN 108 94.669 -10.969 -9.065 820 1HB GLN 108 2HB GLN 108 94.898 -11.449 -6.081 821 2HB GLN 108 3HB GLN 108 95.825 -12.350 -7.278 822 1HG GLN 108 2HG GLN 108 96.703 -10.159 -8.153 823 2HG GLN 108 3HG GLN 108 95.892 -9.356 -6.804 824 1HE2 GLN 108 HE22 GLN 108 98.739 -12.051 -5.583 825 2HE2 GLN 108 HE21 GLN 108 97.555 -12.527 -6.702 826 H GLN 109 HN GLN 109 92.369 -11.966 -6.545 827 HA GLN 109 HA GLN 109 92.080 -14.604 -7.864 828 1HB GLN 109 2HB GLN 109 90.930 -13.486 -5.289 829 2HB GLN 109 3HB GLN 109 90.596 -15.106 -5.903 830 1HG GLN 109 2HG GLN 109 92.401 -15.375 -4.364 831 2HG GLN 109 3HG GLN 109 93.134 -15.447 -5.968 832 1HE2 GLN 109 HE22 GLN 109 95.403 -13.048 -4.634 833 2HE2 GLN 109 HE21 GLN 109 95.200 -14.681 -5.051 834 H ARG 110 HN ARG 110 90.325 -15.111 -9.108 835 HA ARG 110 HA ARG 110 88.125 -13.089 -9.253 836 1HB ARG 110 2HB ARG 110 89.213 -14.907 -11.430 837 2HB ARG 110 3HB ARG 110 87.812 -13.854 -11.610 838 1HG ARG 110 2HG ARG 110 89.356 -11.929 -10.903 839 2HG ARG 110 3HG ARG 110 90.694 -13.049 -11.168 840 1HD ARG 110 2HD ARG 110 88.604 -12.339 -13.245 841 2HD ARG 110 3HD ARG 110 90.222 -11.649 -13.174 842 HE ARG 110 HE ARG 110 90.606 -14.421 -13.215 843 1HH1 ARG 110 HH21 ARG 110 89.132 -11.987 -15.162 844 2HH1 ARG 110 HH22 ARG 110 89.291 -12.883 -16.635 845 1HH2 ARG 110 HH11 ARG 110 90.820 -15.603 -15.124 846 2HH2 ARG 110 HH12 ARG 110 90.245 -14.930 -16.615 847 H ARG 111 HN ARG 111 86.011 -13.897 -9.216 848 HA ARG 111 HA ARG 111 85.288 -16.051 -7.704 849 1HB ARG 111 2HB ARG 111 83.912 -15.032 -10.201 850 2HB ARG 111 3HB ARG 111 83.167 -16.150 -9.059 851 1HG ARG 111 2HG ARG 111 83.469 -14.516 -7.244 852 2HG ARG 111 3HG ARG 111 84.270 -13.413 -8.352 853 1HD ARG 111 2HD ARG 111 82.297 -12.607 -9.055 854 2HD ARG 111 3HD ARG 111 81.735 -14.225 -9.470 855 HE ARG 111 HE ARG 111 80.826 -12.693 -7.252 856 1HH1 ARG 111 HH21 ARG 111 82.082 -15.817 -7.941 857 2HH1 ARG 111 HH22 ARG 111 81.466 -16.536 -6.496 858 1HH2 ARG 111 HH11 ARG 111 80.007 -13.607 -5.359 859 2HH2 ARG 111 HH12 ARG 111 80.288 -15.285 -5.033 No H/Q in entry = 859 Start of MODEL 16 1 1H GLU 1 HT1 GLU 1 94.935 -1.157 -20.940 2 2H GLU 1 HT3 GLU 1 96.621 -1.274 -21.077 3 3H GLU 1 HT2 GLU 1 95.645 -2.601 -21.486 4 HA GLU 1 HA GLU 1 95.858 -3.365 -19.433 5 1HB GLU 1 2HB GLU 1 97.100 -0.658 -18.828 6 2HB GLU 1 3HB GLU 1 97.152 -2.060 -17.756 7 1HG GLU 1 2HG GLU 1 98.237 -2.021 -20.588 8 2HG GLU 1 3HG GLU 1 99.222 -1.823 -19.137 9 H ASP 2 HN ASP 2 93.648 -3.514 -18.982 10 HA ASP 2 HA ASP 2 92.052 -1.237 -18.215 11 1HB ASP 2 2HB ASP 2 91.579 -4.210 -17.883 12 2HB ASP 2 3HB ASP 2 90.369 -2.963 -17.559 13 H LEU 3 HN LEU 3 91.398 -0.574 -16.187 14 HA LEU 3 HA LEU 3 93.086 -1.517 -13.933 15 1HB LEU 3 2HB LEU 3 91.318 0.927 -14.263 16 2HB LEU 3 3HB LEU 3 92.248 0.568 -12.813 17 HG LEU 3 HG LEU 3 93.497 0.833 -15.558 18 1HD1 LEU 3 HD11 LEU 3 92.622 2.865 -13.597 19 2HD1 LEU 3 HD13 LEU 3 94.287 3.041 -14.151 20 3HD1 LEU 3 HD12 LEU 3 92.969 3.038 -15.320 21 1HD2 LEU 3 HD23 LEU 3 94.549 0.689 -12.721 22 2HD2 LEU 3 HD22 LEU 3 94.932 -0.382 -14.067 23 3HD2 LEU 3 HD21 LEU 3 95.534 1.273 -14.060 24 HA PRO 4 HA PRO 4 89.611 -3.809 -12.369 25 1HB PRO 4 2HB PRO 4 90.401 -3.950 -9.723 26 2HB PRO 4 3HB PRO 4 90.999 -5.011 -11.013 27 1HG PRO 4 2HG PRO 4 92.274 -2.642 -9.767 28 2HG PRO 4 3HG PRO 4 93.004 -4.138 -10.372 29 1HD PRO 4 2HD PRO 4 93.095 -1.776 -11.753 30 2HD PRO 4 3HD PRO 4 93.122 -3.367 -12.547 31 H HIS 5 HN HIS 5 90.252 -0.594 -11.600 32 HA HIS 5 HA HIS 5 88.230 -0.303 -9.511 33 1HB HIS 5 2HB HIS 5 89.632 1.794 -11.199 34 2HB HIS 5 3HB HIS 5 88.627 2.123 -9.785 35 HD1 HIS 5 HD1 HIS 5 89.483 0.541 -7.584 36 HD2 HIS 5 HD2 HIS 5 92.289 1.625 -10.467 37 HE1 HIS 5 HE1 HIS 5 91.758 0.224 -6.524 38 H HIS 6 HN HIS 6 88.189 -0.496 -12.947 39 HA HIS 6 HA HIS 6 85.951 1.183 -13.525 40 1HB HIS 6 2HB HIS 6 86.906 -1.381 -14.829 41 2HB HIS 6 3HB HIS 6 85.612 -0.376 -15.484 42 HD1 HIS 6 HD1 HIS 6 86.710 0.723 -17.462 43 HD2 HIS 6 HD2 HIS 6 89.052 0.972 -14.027 44 HE1 HIS 6 HE1 HIS 6 88.663 2.228 -18.035 45 H ASP 7 HN ASP 7 86.091 -2.293 -12.705 46 HA ASP 7 HA ASP 7 83.156 -2.256 -12.295 47 1HB ASP 7 2HB ASP 7 85.163 -4.521 -12.461 48 2HB ASP 7 3HB ASP 7 83.459 -4.749 -12.065 49 H GLU 8 HN GLU 8 82.350 -2.219 -10.226 50 HA GLU 8 HA GLU 8 84.186 -1.956 -8.014 51 1HB GLU 8 2HB GLU 8 82.261 -1.573 -6.656 52 2HB GLU 8 3HB GLU 8 81.947 -0.804 -8.204 53 1HG GLU 8 2HG GLU 8 81.032 -3.623 -7.625 54 2HG GLU 8 3HG GLU 8 80.054 -2.215 -7.222 55 H LYS 9 HN LYS 9 83.178 -4.611 -9.639 56 HA LYS 9 HA LYS 9 82.527 -6.507 -7.628 57 1HB LYS 9 2HB LYS 9 83.102 -8.160 -9.271 58 2HB LYS 9 3HB LYS 9 82.521 -6.768 -10.201 59 1HG LYS 9 2HG LYS 9 84.985 -5.983 -10.194 60 2HG LYS 9 3HG LYS 9 85.370 -7.631 -9.713 61 1HD LYS 9 2HD LYS 9 84.300 -8.501 -11.733 62 2HD LYS 9 3HD LYS 9 83.841 -6.864 -12.213 63 1HE LYS 9 2HE LYS 9 86.363 -6.306 -12.002 64 2HE LYS 9 3HE LYS 9 86.608 -8.053 -12.026 65 1HZ LYS 9 HZ1 LYS 9 84.924 -7.711 -14.081 66 2HZ LYS 9 HZ3 LYS 9 85.814 -6.269 -14.162 67 3HZ LYS 9 HZ2 LYS 9 86.617 -7.767 -14.235 68 H THR 10 HN THR 10 85.629 -5.286 -8.793 69 HA THR 10 HA THR 10 87.274 -7.189 -7.433 70 HB THR 10 HB THR 10 89.091 -5.586 -7.884 71 HG1 THR 10 HG1 THR 10 87.720 -3.805 -9.283 72 1HG2 THR 10 HG21 THR 10 87.524 -6.958 -9.696 73 2HG2 THR 10 HG23 THR 10 87.576 -5.333 -10.380 74 3HG2 THR 10 HG22 THR 10 89.079 -6.202 -10.058 75 H TRP 11 HN TRP 11 85.763 -4.200 -6.296 76 HA TRP 11 HA TRP 11 87.043 -4.779 -3.655 77 1HB TRP 11 2HB TRP 11 86.563 -2.120 -3.448 78 2HB TRP 11 3HB TRP 11 88.100 -2.797 -3.986 79 HD1 TRP 11 HD1 TRP 11 88.491 -2.941 -6.651 80 HE1 TRP 11 HE1 TRP 11 87.572 -1.521 -8.572 81 HE3 TRP 11 HE3 TRP 11 84.629 -0.673 -4.238 82 HZ2 TRP 11 HZ2 TRP 11 85.475 0.402 -9.006 83 HZ3 TRP 11 HZ3 TRP 11 83.189 0.957 -5.423 84 HH2 TRP 11 HH2 TRP 11 83.607 1.494 -7.804 85 H ASN 12 HN ASN 12 84.064 -4.240 -5.326 86 HA ASN 12 HA ASN 12 82.701 -3.678 -2.732 87 1HB ASN 12 2HB ASN 12 82.155 -2.182 -4.595 88 2HB ASN 12 3HB ASN 12 81.597 -3.558 -5.542 89 1HD2 ASN 12 HD22 ASN 12 78.411 -2.677 -4.191 90 2HD2 ASN 12 HD21 ASN 12 79.399 -2.584 -5.569 91 H VAL 13 HN VAL 13 81.904 -5.334 -1.652 92 HA VAL 13 HA VAL 13 80.615 -7.570 -3.138 93 HB VAL 13 HB VAL 13 82.947 -8.180 -2.326 94 1HG1 VAL 13 HG11 VAL 13 82.170 -6.868 -0.049 95 2HG1 VAL 13 HG13 VAL 13 81.898 -8.550 0.408 96 3HG1 VAL 13 HG12 VAL 13 83.499 -8.025 -0.120 97 1HG2 VAL 13 HG21 VAL 13 80.391 -9.567 -1.625 98 2HG2 VAL 13 HG23 VAL 13 81.661 -10.069 -2.744 99 3HG2 VAL 13 HG22 VAL 13 81.893 -10.252 -1.002 100 H GLY 14 HN GLY 14 79.492 -5.285 -1.916 101 1HA GLY 14 2HA GLY 14 78.606 -5.143 0.615 102 2HA GLY 14 3HA GLY 14 77.457 -5.006 -0.705 103 H SER 15 HN SER 15 77.930 -7.915 -1.450 104 HA SER 15 HA SER 15 75.775 -9.017 0.056 105 1HB SER 15 2HB SER 15 76.347 -11.152 -0.980 106 2HB SER 15 3HB SER 15 76.475 -9.865 -2.173 107 HG SER 15 HG SER 15 78.675 -10.736 -0.620 108 H SER 16 HN SER 16 78.896 -8.394 1.101 109 HA SER 16 HA SER 16 79.024 -10.747 2.893 110 1HB SER 16 2HB SER 16 80.925 -8.442 2.412 111 2HB SER 16 3HB SER 16 81.199 -9.697 3.621 112 HG SER 16 HG SER 16 82.100 -9.974 1.385 113 H ASN 17 HN ASN 17 79.418 -10.401 5.212 114 HA ASN 17 HA ASN 17 77.907 -8.040 6.248 115 1HB ASN 17 2HB ASN 17 78.194 -10.849 7.364 116 2HB ASN 17 3HB ASN 17 77.416 -9.518 8.225 117 1HD2 ASN 17 HD22 ASN 17 74.824 -11.447 6.264 118 2HD2 ASN 17 HD21 ASN 17 75.980 -11.904 7.427 119 H ARG 18 HN ARG 18 78.674 -7.346 8.487 120 HA ARG 18 HA ARG 18 81.452 -6.742 8.456 121 1HB ARG 18 2HB ARG 18 79.558 -6.831 10.827 122 2HB ARG 18 3HB ARG 18 81.137 -6.061 10.832 123 1HG ARG 18 2HG ARG 18 78.583 -5.120 9.667 124 2HG ARG 18 3HG ARG 18 79.941 -4.195 10.293 125 1HD ARG 18 2HD ARG 18 79.850 -5.564 7.585 126 2HD ARG 18 3HD ARG 18 79.665 -3.836 7.874 127 HE ARG 18 HE ARG 18 82.078 -4.418 9.074 128 1HH1 ARG 18 HH21 ARG 18 80.642 -4.903 5.979 129 2HH1 ARG 18 HH22 ARG 18 82.150 -4.877 5.133 130 1HH2 ARG 18 HH11 ARG 18 84.046 -4.384 7.993 131 2HH2 ARG 18 HH12 ARG 18 84.082 -4.583 6.271 132 H ASN 19 HN ASN 19 79.724 -9.356 10.191 133 HA ASN 19 HA ASN 19 82.013 -10.329 11.604 134 1HB ASN 19 2HB ASN 19 79.594 -11.003 11.982 135 2HB ASN 19 3HB ASN 19 79.726 -12.010 10.542 136 1HD2 ASN 19 HD22 ASN 19 81.193 -13.376 14.032 137 2HD2 ASN 19 HD21 ASN 19 80.269 -11.956 13.924 138 H LYS 20 HN LYS 20 80.664 -11.156 8.422 139 HA LYS 20 HA LYS 20 82.626 -13.151 7.780 140 1HB LYS 20 2HB LYS 20 80.450 -12.854 6.572 141 2HB LYS 20 3HB LYS 20 81.093 -11.369 5.868 142 1HG LYS 20 2HG LYS 20 82.950 -12.630 4.869 143 2HG LYS 20 3HG LYS 20 82.329 -14.120 5.581 144 1HD LYS 20 2HD LYS 20 80.186 -13.744 4.322 145 2HD LYS 20 3HD LYS 20 80.964 -12.387 3.509 146 1HE LYS 20 2HE LYS 20 82.727 -13.902 2.673 147 2HE LYS 20 3HE LYS 20 81.934 -15.261 3.473 148 1HZ LYS 20 HZ1 LYS 20 80.276 -13.637 1.724 149 2HZ LYS 20 HZ3 LYS 20 81.459 -14.580 0.959 150 3HZ LYS 20 HZ2 LYS 20 80.295 -15.322 1.952 151 H ALA 21 HN ALA 21 82.561 -9.651 7.569 152 HA ALA 21 HA ALA 21 84.726 -9.292 5.755 153 1HB ALA 21 HB1 ALA 21 83.139 -7.501 6.599 154 2HB ALA 21 HB3 ALA 21 84.073 -7.488 8.096 155 3HB ALA 21 HB2 ALA 21 84.839 -7.039 6.573 156 H GLU 22 HN GLU 22 84.669 -9.737 9.287 157 HA GLU 22 HA GLU 22 87.462 -9.325 9.721 158 1HB GLU 22 2HB GLU 22 85.421 -11.035 11.167 159 2HB GLU 22 3HB GLU 22 87.075 -10.830 11.740 160 1HG GLU 22 2HG GLU 22 85.145 -8.547 11.207 161 2HG GLU 22 3HG GLU 22 85.490 -9.214 12.806 162 H ASN 23 HN ASN 23 85.593 -12.235 8.881 163 HA ASN 23 HA ASN 23 87.810 -14.041 8.825 164 1HB ASN 23 2HB ASN 23 85.120 -14.074 7.435 165 2HB ASN 23 3HB ASN 23 86.280 -15.391 7.294 166 1HD2 ASN 23 HD22 ASN 23 84.047 -16.240 10.148 167 2HD2 ASN 23 HD21 ASN 23 83.859 -16.039 8.473 168 H LEU 24 HN LEU 24 86.250 -12.016 6.326 169 HA LEU 24 HA LEU 24 88.049 -12.843 4.201 170 1HB LEU 24 2HB LEU 24 86.247 -10.427 4.525 171 2HB LEU 24 3HB LEU 24 87.219 -10.708 3.084 172 HG LEU 24 HG LEU 24 85.177 -12.665 4.184 173 1HD1 LEU 24 HD11 LEU 24 85.038 -10.759 1.825 174 2HD1 LEU 24 HD13 LEU 24 83.826 -11.978 2.221 175 3HD1 LEU 24 HD12 LEU 24 84.103 -10.623 3.316 176 1HD2 LEU 24 HD23 LEU 24 87.256 -12.751 2.106 177 2HD2 LEU 24 HD22 LEU 24 86.381 -14.079 2.870 178 3HD2 LEU 24 HD21 LEU 24 85.659 -13.211 1.514 179 H LEU 25 HN LEU 25 88.015 -10.249 6.596 180 HA LEU 25 HA LEU 25 90.373 -8.903 5.510 181 1HB LEU 25 2HB LEU 25 88.954 -8.742 8.188 182 2HB LEU 25 3HB LEU 25 90.373 -7.780 7.797 183 HG LEU 25 HG LEU 25 87.940 -7.751 6.015 184 1HD1 LEU 25 HD11 LEU 25 88.286 -6.628 8.721 185 2HD1 LEU 25 HD13 LEU 25 87.794 -5.446 7.511 186 3HD1 LEU 25 HD12 LEU 25 86.809 -6.881 7.790 187 1HD2 LEU 25 HD23 LEU 25 90.444 -6.714 5.700 188 2HD2 LEU 25 HD22 LEU 25 88.998 -5.988 4.998 189 3HD2 LEU 25 HD21 LEU 25 89.645 -5.370 6.520 190 H ARG 26 HN ARG 26 89.763 -11.703 7.283 191 HA ARG 26 HA ARG 26 92.239 -11.712 8.813 192 1HB ARG 26 2HB ARG 26 90.949 -13.182 9.953 193 2HB ARG 26 3HB ARG 26 89.805 -13.295 8.618 194 1HG ARG 26 2HG ARG 26 91.153 -14.972 7.525 195 2HG ARG 26 3HG ARG 26 92.444 -14.783 8.713 196 1HD ARG 26 2HD ARG 26 90.787 -15.469 10.496 197 2HD ARG 26 3HD ARG 26 89.648 -15.846 9.204 198 HE ARG 26 HE ARG 26 91.879 -17.299 8.500 199 1HH1 ARG 26 HH21 ARG 26 90.027 -16.895 11.385 200 2HH1 ARG 26 HH22 ARG 26 90.267 -18.527 11.926 201 1HH2 ARG 26 HH11 ARG 26 92.197 -19.438 9.195 202 2HH2 ARG 26 HH12 ARG 26 91.489 -19.961 10.687 203 H GLY 27 HN GLY 27 94.175 -12.298 8.003 204 1HA GLY 27 2HA GLY 27 95.707 -13.553 6.689 205 2HA GLY 27 3HA GLY 27 94.343 -14.253 5.815 206 H LYS 28 HN LYS 28 94.008 -10.896 6.088 207 HA LYS 28 HA LYS 28 94.857 -10.602 3.257 208 1HB LYS 28 2HB LYS 28 93.062 -8.930 5.028 209 2HB LYS 28 3HB LYS 28 93.587 -8.409 3.424 210 1HG LYS 28 2HG LYS 28 92.250 -11.083 3.862 211 2HG LYS 28 3HG LYS 28 91.319 -9.616 3.572 212 1HD LYS 28 2HD LYS 28 91.638 -9.919 1.364 213 2HD LYS 28 3HD LYS 28 93.357 -9.618 1.620 214 1HE LYS 28 2HE LYS 28 93.156 -11.764 0.536 215 2HE LYS 28 3HE LYS 28 93.608 -12.061 2.213 216 1HZ LYS 28 HZ3 LYS 28 90.770 -11.898 1.799 217 2HZ LYS 28 HZ2 LYS 28 91.497 -13.173 0.946 218 3HZ LYS 28 HZ1 LYS 28 91.676 -13.064 2.631 219 H ARG 29 HN ARG 29 96.668 -9.541 2.793 220 HA ARG 29 HA ARG 29 98.274 -8.337 4.907 221 1HB ARG 29 2HB ARG 29 98.676 -8.482 1.904 222 2HB ARG 29 3HB ARG 29 99.867 -7.844 3.039 223 1HG ARG 29 2HG ARG 29 100.559 -9.915 3.581 224 2HG ARG 29 3HG ARG 29 98.908 -10.435 3.917 225 1HD ARG 29 2HD ARG 29 98.609 -10.613 1.374 226 2HD ARG 29 3HD ARG 29 100.359 -10.442 1.261 227 HE ARG 29 HE ARG 29 99.964 -12.491 3.109 228 1HH1 ARG 29 HH21 ARG 29 99.012 -11.761 -0.121 229 2HH1 ARG 29 HH22 ARG 29 98.957 -13.419 -0.621 230 1HH2 ARG 29 HH11 ARG 29 99.896 -14.659 2.480 231 2HH2 ARG 29 HH12 ARG 29 99.458 -15.062 0.853 232 H ASP 30 HN ASP 30 99.088 -6.109 4.744 233 HA ASP 30 HA ASP 30 97.065 -4.158 4.648 234 1HB ASP 30 2HB ASP 30 99.303 -3.892 5.726 235 2HB ASP 30 3HB ASP 30 100.022 -3.738 4.128 236 H GLY 31 HN GLY 31 96.290 -2.780 3.073 237 1HA GLY 31 2HA GLY 31 96.571 -1.643 0.894 238 2HA GLY 31 3HA GLY 31 97.419 -3.076 0.322 239 H THR 32 HN THR 32 95.447 -4.875 1.655 240 HA THR 32 HA THR 32 93.502 -4.895 -0.531 241 HB THR 32 HB THR 32 93.766 -6.711 1.870 242 HG1 THR 32 HG1 THR 32 95.582 -6.934 0.671 243 1HG2 THR 32 HG23 THR 32 91.843 -6.506 -0.305 244 2HG2 THR 32 HG22 THR 32 92.647 -8.080 -0.294 245 3HG2 THR 32 HG21 THR 32 91.790 -7.517 1.141 246 H PHE 33 HN PHE 33 91.554 -3.798 -0.388 247 HA PHE 33 HA PHE 33 90.357 -3.631 2.321 248 1HB PHE 33 2HB PHE 33 90.075 -1.373 2.288 249 2HB PHE 33 3HB PHE 33 91.561 -1.483 1.351 250 HD1 PHE 33 HD1 PHE 33 91.054 -1.961 -1.305 251 HD2 PHE 33 HD2 PHE 33 88.447 -0.005 1.482 252 HE1 PHE 33 HE1 PHE 33 89.922 -0.764 -3.168 253 HE2 PHE 33 HE2 PHE 33 87.318 1.161 -0.400 254 HZ PHE 33 HZ PHE 33 88.058 0.775 -2.706 255 H LEU 34 HN LEU 34 88.076 -3.320 2.373 256 HA LEU 34 HA LEU 34 86.685 -4.460 -0.012 257 1HB LEU 34 2HB LEU 34 85.930 -4.467 2.926 258 2HB LEU 34 3HB LEU 34 84.954 -5.161 1.643 259 HG LEU 34 HG LEU 34 86.357 -6.808 2.956 260 1HD1 LEU 34 HD11 LEU 34 85.456 -7.335 0.745 261 2HD1 LEU 34 HD13 LEU 34 86.864 -6.596 -0.015 262 3HD1 LEU 34 HD12 LEU 34 87.054 -8.056 0.953 263 1HD2 LEU 34 HD21 LEU 34 88.393 -5.161 2.887 264 2HD2 LEU 34 HD23 LEU 34 88.676 -6.894 2.756 265 3HD2 LEU 34 HD22 LEU 34 88.693 -5.894 1.311 266 H VAL 35 HN VAL 35 84.477 -3.733 -0.395 267 HA VAL 35 HA VAL 35 83.789 -1.066 0.737 268 HB VAL 35 HB VAL 35 83.804 -1.871 -2.187 269 1HG1 VAL 35 HG13 VAL 35 82.184 0.197 -0.720 270 2HG1 VAL 35 HG12 VAL 35 82.721 0.516 -2.373 271 3HG1 VAL 35 HG11 VAL 35 81.694 -0.879 -2.030 272 1HG2 VAL 35 HG21 VAL 35 85.542 -0.358 -0.528 273 2HG2 VAL 35 HG23 VAL 35 85.601 -0.503 -2.285 274 3HG2 VAL 35 HG22 VAL 35 84.687 0.809 -1.542 275 H ARG 36 HN ARG 36 81.898 -1.474 1.851 276 HA ARG 36 HA ARG 36 79.837 -3.141 0.468 277 1HB ARG 36 2HB ARG 36 80.763 -3.399 3.341 278 2HB ARG 36 3HB ARG 36 79.312 -4.172 2.698 279 1HG ARG 36 2HG ARG 36 80.515 -5.646 1.390 280 2HG ARG 36 3HG ARG 36 81.870 -4.542 1.214 281 1HD ARG 36 2HD ARG 36 82.551 -4.962 3.521 282 2HD ARG 36 3HD ARG 36 81.154 -6.014 3.765 283 HE ARG 36 HE ARG 36 82.450 -7.127 1.586 284 1HH1 ARG 36 HH21 ARG 36 83.339 -6.156 4.774 285 2HH1 ARG 36 HH22 ARG 36 84.555 -7.376 4.946 286 1HH2 ARG 36 HH11 ARG 36 84.026 -8.724 1.798 287 2HH2 ARG 36 HH12 ARG 36 84.943 -8.831 3.263 288 H GLU 37 HN GLU 37 77.661 -2.911 1.745 289 HA GLU 37 HA GLU 37 77.242 -0.032 2.095 290 1HB GLU 37 2HB GLU 37 74.836 -0.776 2.396 291 2HB GLU 37 3HB GLU 37 75.544 -1.235 0.848 292 1HG GLU 37 2HG GLU 37 75.837 -3.481 1.518 293 2HG GLU 37 3HG GLU 37 75.668 -3.083 3.229 294 H SER 38 HN SER 38 75.762 0.534 4.062 295 HA SER 38 HA SER 38 77.114 -0.460 6.471 296 1HB SER 38 2HB SER 38 74.795 1.463 6.080 297 2HB SER 38 3HB SER 38 75.559 1.122 7.633 298 HG SER 38 HG SER 38 77.210 2.309 7.065 299 H SER 39 HN SER 39 75.370 -1.955 4.530 300 HA SER 39 HA SER 39 73.980 -3.772 4.577 301 1HB SER 39 2HB SER 39 73.688 -4.974 6.622 302 2HB SER 39 3HB SER 39 75.279 -4.227 6.747 303 HG SER 39 HG SER 39 73.579 -4.026 8.540 304 H LYS 40 HN LYS 40 72.317 -3.153 7.504 305 HA LYS 40 HA LYS 40 69.834 -2.663 6.207 306 1HB LYS 40 2HB LYS 40 70.093 -3.506 8.560 307 2HB LYS 40 3HB LYS 40 70.563 -1.879 9.044 308 1HG LYS 40 2HG LYS 40 68.397 -1.012 8.188 309 2HG LYS 40 3HG LYS 40 67.916 -2.665 7.790 310 1HD LYS 40 2HD LYS 40 68.075 -3.319 10.141 311 2HD LYS 40 3HD LYS 40 68.671 -1.712 10.569 312 1HE LYS 40 2HE LYS 40 65.991 -2.154 9.236 313 2HE LYS 40 3HE LYS 40 66.188 -2.097 10.987 314 1HZ LYS 40 HZ1 LYS 40 67.553 0.078 9.928 315 2HZ LYS 40 HZ3 LYS 40 66.041 0.038 9.164 316 3HZ LYS 40 HZ2 LYS 40 66.135 0.093 10.860 317 H GLN 41 HN GLN 41 72.189 -0.371 7.605 318 HA GLN 41 HA GLN 41 70.483 1.926 7.018 319 1HB GLN 41 2HB GLN 41 73.425 1.791 7.769 320 2HB GLN 41 3HB GLN 41 72.462 3.266 7.691 321 1HG GLN 41 2HG GLN 41 70.896 2.254 9.380 322 2HG GLN 41 3HG GLN 41 72.026 0.909 9.545 323 1HE2 GLN 41 HE22 GLN 41 74.605 3.299 10.837 324 2HE2 GLN 41 HE21 GLN 41 74.510 2.258 9.501 325 H GLY 42 HN GLY 42 70.883 3.495 5.352 326 1HA GLY 42 2HA GLY 42 71.848 2.333 2.860 327 2HA GLY 42 3HA GLY 42 71.224 3.969 3.063 328 H CYS 43 HN CYS 43 73.563 3.456 5.389 329 HA CYS 43 HA CYS 43 75.429 5.195 3.970 330 1HB CYS 43 2HB CYS 43 75.552 3.878 6.695 331 2HB CYS 43 3HB CYS 43 76.788 4.977 6.078 332 HG CYS 43 HG CYS 43 74.803 6.793 5.868 333 H TYR 44 HN TYR 44 77.669 4.652 3.594 334 HA TYR 44 HA TYR 44 78.081 1.731 3.090 335 1HB TYR 44 2HB TYR 44 79.020 4.153 1.531 336 2HB TYR 44 3HB TYR 44 79.522 2.497 1.184 337 HD1 TYR 44 HD2 TYR 44 76.654 4.841 1.254 338 HD2 TYR 44 HD1 TYR 44 78.033 0.933 0.140 339 HE1 TYR 44 HE2 TYR 44 74.580 4.488 -0.067 340 HE2 TYR 44 HE1 TYR 44 75.960 0.575 -1.172 341 HH TYR 44 HH TYR 44 73.859 3.072 -2.004 342 H ALA 45 HN ALA 45 80.206 0.906 3.475 343 HA ALA 45 HA ALA 45 82.199 2.762 4.640 344 1HB ALA 45 HB2 ALA 45 81.132 0.325 6.107 345 2HB ALA 45 HB1 ALA 45 82.515 1.294 6.620 346 3HB ALA 45 HB3 ALA 45 80.901 2.006 6.589 347 H CYS 46 HN CYS 46 84.292 2.072 4.123 348 HA CYS 46 HA CYS 46 84.445 -0.520 2.667 349 1HB CYS 46 2HB CYS 46 86.418 1.780 2.524 350 2HB CYS 46 3HB CYS 46 86.333 0.382 1.447 351 HG CYS 46 HG CYS 46 83.879 1.336 0.755 352 H SER 47 HN SER 47 85.669 -2.111 3.489 353 HA SER 47 HA SER 47 87.016 -1.595 6.065 354 1HB SER 47 2HB SER 47 86.739 -3.823 6.512 355 2HB SER 47 3HB SER 47 85.491 -3.665 5.282 356 HG SER 47 HG SER 47 86.622 -5.164 4.323 357 H VAL 48 HN VAL 48 89.224 -1.511 6.320 358 HA VAL 48 HA VAL 48 90.885 -2.448 4.030 359 HB VAL 48 HB VAL 48 90.793 -0.059 3.805 360 1HG1 VAL 48 HG12 VAL 48 90.099 0.221 6.269 361 2HG1 VAL 48 HG11 VAL 48 91.827 0.223 6.618 362 3HG1 VAL 48 HG13 VAL 48 91.138 1.466 5.576 363 1HG2 VAL 48 HG23 VAL 48 93.012 -1.254 3.588 364 2HG2 VAL 48 HG22 VAL 48 93.134 0.470 3.956 365 3HG2 VAL 48 HG21 VAL 48 93.371 -0.723 5.234 366 H VAL 49 HN VAL 49 93.074 -2.967 4.591 367 HA VAL 49 HA VAL 49 93.417 -3.599 7.498 368 HB VAL 49 HB VAL 49 94.513 -5.121 5.117 369 1HG1 VAL 49 HG12 VAL 49 95.227 -5.049 7.922 370 2HG1 VAL 49 HG11 VAL 49 94.616 -6.645 7.494 371 3HG1 VAL 49 HG13 VAL 49 95.982 -5.960 6.614 372 1HG2 VAL 49 HG23 VAL 49 91.933 -5.161 6.141 373 2HG2 VAL 49 HG22 VAL 49 92.687 -6.461 5.211 374 3HG2 VAL 49 HG21 VAL 49 92.717 -6.505 6.974 375 H VAL 50 HN VAL 50 95.504 -3.193 8.393 376 HA VAL 50 HA VAL 50 97.320 -1.656 6.582 377 HB VAL 50 HB VAL 50 96.535 -1.172 9.450 378 1HG1 VAL 50 HG13 VAL 50 99.052 -0.314 8.005 379 2HG1 VAL 50 HG12 VAL 50 98.423 0.556 9.407 380 3HG1 VAL 50 HG11 VAL 50 98.923 -1.126 9.566 381 1HG2 VAL 50 HG21 VAL 50 95.442 -0.087 7.350 382 2HG2 VAL 50 HG23 VAL 50 95.946 0.984 8.660 383 3HG2 VAL 50 HG22 VAL 50 96.949 0.821 7.217 384 H ASP 51 HN ASP 51 99.610 -1.719 7.223 385 HA ASP 51 HA ASP 51 100.583 -4.350 7.545 386 1HB ASP 51 2HB ASP 51 102.774 -3.356 7.714 387 2HB ASP 51 3HB ASP 51 101.838 -2.356 6.600 388 H GLY 52 HN GLY 52 98.936 -2.770 9.844 389 1HA GLY 52 2HA GLY 52 100.299 -4.309 11.967 390 2HA GLY 52 3HA GLY 52 100.194 -2.572 12.215 391 H GLU 53 HN GLU 53 97.382 -2.780 10.780 392 HA GLU 53 HA GLU 53 95.869 -4.250 12.841 393 1HB GLU 53 2HB GLU 53 96.319 -2.202 14.044 394 2HB GLU 53 3HB GLU 53 95.833 -1.228 12.656 395 1HG GLU 53 2HG GLU 53 93.554 -1.888 12.864 396 2HG GLU 53 3HG GLU 53 93.952 -3.165 14.014 397 H VAL 54 HN VAL 54 93.436 -3.940 12.498 398 HA VAL 54 HA VAL 54 92.869 -3.487 9.593 399 HB VAL 54 HB VAL 54 91.546 -5.439 11.501 400 1HG1 VAL 54 HG13 VAL 54 90.946 -4.603 8.659 401 2HG1 VAL 54 HG12 VAL 54 90.423 -6.166 9.298 402 3HG1 VAL 54 HG11 VAL 54 89.842 -4.670 10.034 403 1HG2 VAL 54 HG22 VAL 54 93.419 -5.754 9.142 404 2HG2 VAL 54 HG21 VAL 54 93.661 -6.317 10.795 405 3HG2 VAL 54 HG23 VAL 54 92.448 -7.087 9.772 406 H LYS 55 HN LYS 55 91.371 -1.871 9.197 407 HA LYS 55 HA LYS 55 89.635 -1.066 11.516 408 1HB LYS 55 2HB LYS 55 90.340 0.895 9.364 409 2HB LYS 55 3HB LYS 55 89.946 1.189 11.058 410 1HG LYS 55 2HG LYS 55 92.239 1.550 11.046 411 2HG LYS 55 3HG LYS 55 92.149 -0.151 11.504 412 1HD LYS 55 2HD LYS 55 92.094 -0.332 8.771 413 2HD LYS 55 3HD LYS 55 93.132 1.078 9.002 414 1HE LYS 55 2HE LYS 55 94.756 -0.131 10.123 415 2HE LYS 55 3HE LYS 55 93.621 -1.368 10.656 416 1HZ LYS 55 HZ1 LYS 55 93.593 -1.371 7.882 417 2HZ LYS 55 HZ3 LYS 55 95.218 -1.355 8.356 418 3HZ LYS 55 HZ2 LYS 55 94.187 -2.577 8.921 419 H HIS 56 HN HIS 56 87.800 0.438 10.554 420 HA HIS 56 HA HIS 56 86.662 -0.861 8.119 421 1HB HIS 56 2HB HIS 56 85.349 -0.250 10.773 422 2HB HIS 56 3HB HIS 56 84.399 -0.423 9.298 423 HD1 HIS 56 HD1 HIS 56 85.577 -2.373 12.037 424 HD2 HIS 56 HD2 HIS 56 85.185 -3.068 7.952 425 HE1 HIS 56 HE1 HIS 56 85.537 -4.891 11.740 426 H CYS 57 HN CYS 57 87.543 1.067 7.001 427 HA CYS 57 HA CYS 57 86.966 3.738 7.736 428 1HB CYS 57 2HB CYS 57 87.222 2.553 4.955 429 2HB CYS 57 3HB CYS 57 87.271 4.275 5.327 430 HG CYS 57 HG CYS 57 89.473 3.870 6.691 431 H VAL 58 HN VAL 58 85.168 4.970 7.597 432 HA VAL 58 HA VAL 58 82.705 3.614 6.637 433 HB VAL 58 HB VAL 58 82.932 4.456 9.017 434 1HG1 VAL 58 HG12 VAL 58 84.086 6.612 8.138 435 2HG1 VAL 58 HG11 VAL 58 82.445 7.184 7.843 436 3HG1 VAL 58 HG13 VAL 58 82.948 6.759 9.476 437 1HG2 VAL 58 HG22 VAL 58 80.746 5.276 7.121 438 2HG2 VAL 58 HG21 VAL 58 80.725 4.031 8.371 439 3HG2 VAL 58 HG23 VAL 58 80.647 5.734 8.823 440 H ILE 59 HN ILE 59 81.578 4.428 4.928 441 HA ILE 59 HA ILE 59 82.586 6.951 3.701 442 HB ILE 59 HB ILE 59 80.876 4.769 2.462 443 1HG1 ILE 59 HG12 ILE 59 83.038 3.807 2.905 444 2HG1 ILE 59 HG11 ILE 59 83.020 4.251 1.199 445 1HG2 ILE 59 HG22 ILE 59 80.750 7.118 1.506 446 2HG2 ILE 59 HG21 ILE 59 82.462 6.956 1.106 447 3HG2 ILE 59 HG23 ILE 59 81.277 5.872 0.377 448 1HD1 ILE 59 HD13 ILE 59 84.114 6.443 1.876 449 2HD1 ILE 59 HD12 ILE 59 84.349 5.738 3.477 450 3HD1 ILE 59 HD11 ILE 59 85.116 5.005 2.069 451 H ASN 60 HN ASN 60 81.296 8.714 3.968 452 HA ASN 60 HA ASN 60 78.464 8.225 4.777 453 1HB ASN 60 2HB ASN 60 80.288 10.600 5.236 454 2HB ASN 60 3HB ASN 60 78.586 10.553 5.703 455 1HD2 ASN 60 HD22 ASN 60 79.739 7.487 7.785 456 2HD2 ASN 60 HD21 ASN 60 79.016 7.505 6.249 457 H LYS 61 HN LYS 61 76.926 8.675 3.327 458 HA LYS 61 HA LYS 61 77.562 10.534 1.079 459 1HB LYS 61 2HB LYS 61 75.487 8.333 1.311 460 2HB LYS 61 3HB LYS 61 75.654 9.409 -0.078 461 1HG LYS 61 2HG LYS 61 77.985 8.618 -0.390 462 2HG LYS 61 3HG LYS 61 77.774 7.509 0.968 463 1HD LYS 61 2HD LYS 61 77.395 6.267 -1.074 464 2HD LYS 61 3HD LYS 61 75.841 6.473 -0.261 465 1HE LYS 61 2HE LYS 61 75.099 8.074 -1.800 466 2HE LYS 61 3HE LYS 61 76.738 8.483 -2.310 467 1HZ LYS 61 HZ1 LYS 61 75.951 5.731 -2.742 468 2HZ LYS 61 HZ3 LYS 61 75.113 6.872 -3.675 469 3HZ LYS 61 HZ2 LYS 61 76.808 6.791 -3.756 470 H THR 62 HN THR 62 76.462 12.462 1.043 471 HA THR 62 HA THR 62 73.914 12.626 2.595 472 HB THR 62 HB THR 62 76.057 13.717 3.645 473 HG1 THR 62 HG1 THR 62 73.707 15.248 3.272 474 1HG2 THR 62 HG22 THR 62 76.356 14.880 1.290 475 2HG2 THR 62 HG21 THR 62 75.288 16.080 2.013 476 3HG2 THR 62 HG23 THR 62 76.828 15.690 2.781 477 H ALA 63 HN ALA 63 72.991 15.056 1.920 478 HA ALA 63 HA ALA 63 71.957 14.873 -0.636 479 1HB ALA 63 HB3 ALA 63 72.513 17.135 1.202 480 2HB ALA 63 HB2 ALA 63 72.286 17.576 -0.488 481 3HB ALA 63 HB1 ALA 63 71.019 16.702 0.372 482 H THR 64 HN THR 64 75.158 15.756 0.341 483 HA THR 64 HA THR 64 76.164 15.473 -2.393 484 HB THR 64 HB THR 64 76.495 18.136 -0.967 485 HG1 THR 64 HG1 THR 64 74.406 17.632 -2.002 486 1HG2 THR 64 HG23 THR 64 78.064 16.837 -2.936 487 2HG2 THR 64 HG22 THR 64 77.175 18.116 -3.763 488 3HG2 THR 64 HG21 THR 64 78.200 18.507 -2.380 489 H GLY 65 HN GLY 65 77.029 13.725 -0.866 490 1HA GLY 65 2HA GLY 65 79.690 14.538 0.062 491 2HA GLY 65 3HA GLY 65 78.601 14.042 1.356 492 H TYR 66 HN TYR 66 80.656 12.488 1.296 493 HA TYR 66 HA TYR 66 79.676 9.883 0.515 494 1HB TYR 66 2HB TYR 66 82.125 10.946 -0.939 495 2HB TYR 66 3HB TYR 66 81.470 9.317 -1.071 496 HD1 TYR 66 HD1 TYR 66 79.250 8.933 -2.158 497 HD2 TYR 66 HD2 TYR 66 81.120 12.803 -2.097 498 HE1 TYR 66 HE1 TYR 66 77.708 9.714 -3.942 499 HE2 TYR 66 HE2 TYR 66 79.582 13.576 -3.879 500 HH TYR 66 HH TYR 66 77.379 13.005 -4.768 501 H GLY 67 HN GLY 67 81.548 12.009 2.255 502 1HA GLY 67 2HA GLY 67 82.404 10.281 4.257 503 2HA GLY 67 3HA GLY 67 83.723 10.276 3.086 504 H PHE 68 HN PHE 68 85.300 11.623 3.896 505 HA PHE 68 HA PHE 68 84.431 14.125 5.240 506 1HB PHE 68 2HB PHE 68 86.837 14.344 5.878 507 2HB PHE 68 3HB PHE 68 86.094 12.860 6.468 508 HD1 PHE 68 HD2 PHE 68 86.651 10.695 5.498 509 HD2 PHE 68 HD1 PHE 68 88.517 14.300 4.093 510 HE1 PHE 68 HE2 PHE 68 88.385 9.350 4.364 511 HE2 PHE 68 HE1 PHE 68 90.263 12.951 2.954 512 HZ PHE 68 HZ PHE 68 90.210 10.471 3.098 513 H ALA 69 HN ALA 69 84.092 15.767 3.870 514 HA ALA 69 HA ALA 69 85.981 16.105 1.572 515 1HB ALA 69 HB2 ALA 69 83.064 16.884 1.875 516 2HB ALA 69 HB1 ALA 69 84.084 17.396 0.531 517 3HB ALA 69 HB3 ALA 69 83.737 15.683 0.771 518 H GLU 70 HN GLU 70 87.198 17.894 1.649 519 HA GLU 70 HA GLU 70 86.307 20.175 3.372 520 1HB GLU 70 2HB GLU 70 89.065 18.966 3.026 521 2HB GLU 70 3HB GLU 70 88.793 20.535 3.781 522 1HG GLU 70 2HG GLU 70 87.304 19.466 5.445 523 2HG GLU 70 3HG GLU 70 87.608 17.901 4.697 524 HA PRO 71 HA PRO 71 86.595 23.021 0.026 525 1HB PRO 71 2HB PRO 71 89.054 24.156 1.276 526 2HB PRO 71 3HB PRO 71 87.575 24.979 0.749 527 1HG PRO 71 2HG PRO 71 88.215 24.298 3.365 528 2HG PRO 71 3HG PRO 71 86.619 24.764 2.772 529 1HD PRO 71 2HD PRO 71 87.406 22.203 3.777 530 2HD PRO 71 3HD PRO 71 85.842 22.641 3.059 531 H TYR 72 HN TYR 72 89.523 21.402 1.155 532 HA TYR 72 HA TYR 72 90.693 21.532 -1.569 533 1HB TYR 72 2HB TYR 72 92.225 21.942 0.321 534 2HB TYR 72 3HB TYR 72 91.808 20.372 1.008 535 HD1 TYR 72 HD1 TYR 72 93.007 21.877 -2.218 536 HD2 TYR 72 HD2 TYR 72 93.139 18.521 0.469 537 HE1 TYR 72 HE1 TYR 72 94.701 20.787 -3.659 538 HE2 TYR 72 HE2 TYR 72 94.840 17.436 -0.974 539 HH TYR 72 HH TYR 72 96.155 19.095 -3.829 540 H ASN 73 HN ASN 73 89.264 19.327 0.752 541 HA ASN 73 HA ASN 73 89.594 17.051 -1.139 542 1HB ASN 73 2HB ASN 73 88.723 17.159 1.767 543 2HB ASN 73 3HB ASN 73 88.826 15.678 0.812 544 1HD2 ASN 73 HD22 ASN 73 92.546 16.661 0.439 545 2HD2 ASN 73 HD21 ASN 73 91.261 16.871 -0.652 546 H LEU 74 HN LEU 74 87.861 16.418 -2.347 547 HA LEU 74 HA LEU 74 85.101 16.867 -1.388 548 1HB LEU 74 2HB LEU 74 86.152 18.036 -3.983 549 2HB LEU 74 3HB LEU 74 84.448 17.937 -3.551 550 HG LEU 74 HG LEU 74 86.516 19.385 -1.879 551 1HD1 LEU 74 HD11 LEU 74 85.009 20.167 -4.294 552 2HD1 LEU 74 HD13 LEU 74 84.874 21.298 -2.948 553 3HD1 LEU 74 HD12 LEU 74 86.461 20.880 -3.594 554 1HD2 LEU 74 HD22 LEU 74 83.751 18.613 -1.502 555 2HD2 LEU 74 HD21 LEU 74 84.833 19.432 -0.373 556 3HD2 LEU 74 HD23 LEU 74 83.888 20.373 -1.528 557 H TYR 75 HN TYR 75 84.753 14.588 -1.478 558 HA TYR 75 HA TYR 75 85.582 12.928 -3.663 559 1HB TYR 75 2HB TYR 75 83.267 12.622 -1.731 560 2HB TYR 75 3HB TYR 75 83.838 11.349 -2.816 561 HD1 TYR 75 HD1 TYR 75 86.450 10.902 -2.716 562 HD2 TYR 75 HD2 TYR 75 84.149 12.717 0.425 563 HE1 TYR 75 HE1 TYR 75 88.197 10.274 -1.070 564 HE2 TYR 75 HE2 TYR 75 85.899 12.096 2.069 565 HH TYR 75 HH TYR 75 88.512 11.612 1.875 566 H SER 76 HN SER 76 84.771 12.808 -5.713 567 HA SER 76 HA SER 76 82.373 14.406 -6.358 568 1HB SER 76 2HB SER 76 83.013 14.107 -8.660 569 2HB SER 76 3HB SER 76 84.483 14.447 -7.755 570 HG SER 76 HG SER 76 83.721 11.784 -7.952 571 H SER 77 HN SER 77 83.479 11.036 -6.885 572 HA SER 77 HA SER 77 80.656 10.151 -6.608 573 1HB SER 77 2HB SER 77 82.490 9.409 -8.907 574 2HB SER 77 3HB SER 77 80.931 8.658 -8.585 575 HG SER 77 HG SER 77 80.279 11.072 -8.574 576 H LEU 78 HN LEU 78 80.625 7.654 -6.397 577 HA LEU 78 HA LEU 78 82.458 6.875 -4.335 578 1HB LEU 78 2HB LEU 78 80.585 5.237 -6.064 579 2HB LEU 78 3HB LEU 78 81.516 4.562 -4.725 580 HG LEU 78 HG LEU 78 79.625 6.917 -4.446 581 1HD1 LEU 78 HD11 LEU 78 79.221 3.986 -3.776 582 2HD1 LEU 78 HD13 LEU 78 78.130 5.290 -3.304 583 3HD1 LEU 78 HD12 LEU 78 78.355 4.903 -5.011 584 1HD2 LEU 78 HD23 LEU 78 81.565 5.547 -2.709 585 2HD2 LEU 78 HD22 LEU 78 80.830 7.140 -2.535 586 3HD2 LEU 78 HD21 LEU 78 79.963 5.706 -1.987 587 H LYS 79 HN LYS 79 82.416 6.265 -7.839 588 HA LYS 79 HA LYS 79 84.529 4.356 -7.930 589 1HB LYS 79 2HB LYS 79 83.721 6.526 -9.892 590 2HB LYS 79 3HB LYS 79 84.912 5.274 -10.259 591 1HG LYS 79 2HG LYS 79 83.227 3.532 -9.835 592 2HG LYS 79 3HG LYS 79 82.041 4.770 -9.429 593 1HD LYS 79 2HD LYS 79 82.130 5.671 -11.690 594 2HD LYS 79 3HD LYS 79 83.431 4.554 -12.117 595 1HE LYS 79 2HE LYS 79 81.869 2.652 -11.571 596 2HE LYS 79 3HE LYS 79 80.576 3.836 -11.393 597 1HZ LYS 79 HZ2 LYS 79 82.180 3.934 -13.836 598 2HZ LYS 79 HZ1 LYS 79 81.073 2.650 -13.678 599 3HZ LYS 79 HZ3 LYS 79 80.526 4.256 -13.609 600 H GLU 80 HN GLU 80 84.556 7.889 -7.850 601 HA GLU 80 HA GLU 80 87.408 8.195 -8.121 602 1HB GLU 80 2HB GLU 80 85.668 9.996 -8.472 603 2HB GLU 80 3HB GLU 80 85.477 10.065 -6.722 604 1HG GLU 80 2HG GLU 80 87.909 10.555 -6.503 605 2HG GLU 80 3HG GLU 80 88.037 10.571 -8.264 606 H LEU 81 HN LEU 81 85.244 7.672 -5.392 607 HA LEU 81 HA LEU 81 86.924 8.361 -3.240 608 1HB LEU 81 2HB LEU 81 84.575 7.632 -2.971 609 2HB LEU 81 3HB LEU 81 85.036 5.999 -3.442 610 HG LEU 81 HG LEU 81 86.747 6.161 -1.485 611 1HD1 LEU 81 HD11 LEU 81 85.875 8.735 -1.350 612 2HD1 LEU 81 HD13 LEU 81 84.825 7.974 -0.155 613 3HD1 LEU 81 HD12 LEU 81 86.576 7.867 0.012 614 1HD2 LEU 81 HD23 LEU 81 84.229 5.082 -1.685 615 2HD2 LEU 81 HD22 LEU 81 85.281 4.889 -0.286 616 3HD2 LEU 81 HD21 LEU 81 84.043 6.144 -0.292 617 H VAL 82 HN VAL 82 86.683 5.230 -4.941 618 HA VAL 82 HA VAL 82 88.778 3.986 -3.424 619 HB VAL 82 HB VAL 82 87.919 3.358 -6.260 620 1HG1 VAL 82 HG11 VAL 82 89.734 2.138 -4.297 621 2HG1 VAL 82 HG13 VAL 82 88.543 1.011 -4.954 622 3HG1 VAL 82 HG12 VAL 82 89.624 1.884 -6.039 623 1HG2 VAL 82 HG23 VAL 82 86.761 2.614 -3.573 624 2HG2 VAL 82 HG22 VAL 82 85.931 3.327 -4.953 625 3HG2 VAL 82 HG21 VAL 82 86.464 1.647 -5.017 626 H LEU 83 HN LEU 83 88.728 5.692 -6.535 627 HA LEU 83 HA LEU 83 91.516 5.330 -7.115 628 1HB LEU 83 2HB LEU 83 89.571 7.493 -7.976 629 2HB LEU 83 3HB LEU 83 91.166 7.240 -8.685 630 HG LEU 83 HG LEU 83 89.011 5.111 -8.583 631 1HD1 LEU 83 HD13 LEU 83 88.418 7.131 -9.988 632 2HD1 LEU 83 HD12 LEU 83 89.855 6.794 -10.955 633 3HD1 LEU 83 HD11 LEU 83 88.543 5.623 -10.892 634 1HD2 LEU 83 HD22 LEU 83 91.796 5.319 -9.656 635 2HD2 LEU 83 HD21 LEU 83 90.977 3.942 -8.916 636 3HD2 LEU 83 HD23 LEU 83 90.622 4.387 -10.587 637 H HIS 84 HN HIS 84 89.727 7.973 -5.533 638 HA HIS 84 HA HIS 84 91.914 9.748 -5.191 639 1HB HIS 84 2HB HIS 84 89.503 10.304 -4.818 640 2HB HIS 84 3HB HIS 84 89.562 9.377 -3.317 641 HD1 HIS 84 HD1 HIS 84 91.142 12.420 -4.943 642 HD2 HIS 84 HD2 HIS 84 90.675 10.740 -1.158 643 HE1 HIS 84 HE1 HIS 84 91.991 14.136 -3.290 644 H TYR 85 HN TYR 85 90.717 7.184 -3.005 645 HA TYR 85 HA TYR 85 92.745 7.749 -1.008 646 1HB TYR 85 2HB TYR 85 90.458 5.980 -1.299 647 2HB TYR 85 3HB TYR 85 91.830 5.134 -0.598 648 HD1 TYR 85 HD2 TYR 85 93.204 7.131 1.009 649 HD2 TYR 85 HD1 TYR 85 88.984 6.554 0.413 650 HE1 TYR 85 HE2 TYR 85 92.747 8.210 3.190 651 HE2 TYR 85 HE1 TYR 85 88.533 7.625 2.601 652 HH TYR 85 HH TYR 85 90.990 8.220 4.888 653 H GLN 86 HN GLN 86 92.637 5.851 -3.880 654 HA GLN 86 HA GLN 86 94.726 3.984 -3.196 655 1HB GLN 86 2HB GLN 86 93.662 3.276 -5.120 656 2HB GLN 86 3HB GLN 86 93.337 4.919 -5.668 657 1HG GLN 86 2HG GLN 86 94.984 3.752 -7.124 658 2HG GLN 86 3HG GLN 86 95.673 5.184 -6.365 659 1HE2 GLN 86 HE22 GLN 86 97.907 2.126 -5.937 660 2HE2 GLN 86 HE21 GLN 86 97.118 2.759 -7.303 661 H HIS 87 HN HIS 87 94.634 7.176 -4.715 662 HA HIS 87 HA HIS 87 97.499 7.312 -5.150 663 1HB HIS 87 2HB HIS 87 95.825 8.610 -6.474 664 2HB HIS 87 3HB HIS 87 95.483 9.571 -5.035 665 HD1 HIS 87 HD1 HIS 87 96.424 11.554 -6.686 666 HD2 HIS 87 HD2 HIS 87 99.230 8.822 -5.251 667 HE1 HIS 87 HE1 HIS 87 98.701 12.619 -7.023 668 H THR 88 HN THR 88 95.285 8.521 -2.635 669 HA THR 88 HA THR 88 97.628 9.612 -1.165 670 HB THR 88 HB THR 88 94.690 9.814 -0.462 671 HG1 THR 88 HG1 THR 88 95.482 12.101 -1.251 672 1HG2 THR 88 HG21 THR 88 97.146 11.333 0.455 673 2HG2 THR 88 HG23 THR 88 95.489 11.703 0.928 674 3HG2 THR 88 HG22 THR 88 96.223 10.179 1.419 675 H SER 89 HN SER 89 98.317 8.824 0.752 676 HA SER 89 HA SER 89 97.482 6.102 1.459 677 1HB SER 89 2HB SER 89 99.431 6.094 2.843 678 2HB SER 89 3HB SER 89 99.872 6.979 1.382 679 HG SER 89 HG SER 89 99.084 8.877 2.710 680 H LEU 90 HN LEU 90 96.451 5.520 3.390 681 HA LEU 90 HA LEU 90 94.805 7.552 4.674 682 1HB LEU 90 2HB LEU 90 95.303 4.611 5.198 683 2HB LEU 90 3HB LEU 90 94.252 5.578 6.233 684 HG LEU 90 HG LEU 90 92.985 6.240 4.124 685 1HD1 LEU 90 HD13 LEU 90 94.827 4.120 3.031 686 2HD1 LEU 90 HD12 LEU 90 93.288 4.499 2.260 687 3HD1 LEU 90 HD11 LEU 90 94.534 5.738 2.398 688 1HD2 LEU 90 HD22 LEU 90 93.110 3.447 5.228 689 2HD2 LEU 90 HD21 LEU 90 91.837 4.654 5.409 690 3HD2 LEU 90 HD23 LEU 90 92.030 3.798 3.878 691 H VAL 91 HN VAL 91 97.980 6.302 5.229 692 HA VAL 91 HA VAL 91 98.508 6.301 7.898 693 HB VAL 91 HB VAL 91 100.194 6.426 5.928 694 1HG1 VAL 91 HG13 VAL 91 99.408 8.737 5.261 695 2HG1 VAL 91 HG12 VAL 91 100.159 9.344 6.737 696 3HG1 VAL 91 HG11 VAL 91 101.152 8.594 5.486 697 1HG2 VAL 91 HG22 VAL 91 100.742 7.846 8.553 698 2HG2 VAL 91 HG21 VAL 91 100.836 6.104 8.287 699 3HG2 VAL 91 HG23 VAL 91 101.975 7.185 7.480 700 H GLN 92 HN GLN 92 97.896 9.290 6.049 701 HA GLN 92 HA GLN 92 98.316 11.191 8.040 702 1HB GLN 92 2HB GLN 92 97.564 11.652 5.678 703 2HB GLN 92 3HB GLN 92 95.930 11.193 6.166 704 1HG GLN 92 2HG GLN 92 96.222 13.641 6.279 705 2HG GLN 92 3HG GLN 92 95.948 12.965 7.890 706 1HE2 GLN 92 HE22 GLN 92 99.912 13.678 7.158 707 2HE2 GLN 92 HE21 GLN 92 99.006 12.745 6.068 708 H HIS 93 HN HIS 93 95.360 9.250 7.545 709 HA HIS 93 HA HIS 93 93.923 10.379 9.745 710 1HB HIS 93 2HB HIS 93 92.911 8.929 7.968 711 2HB HIS 93 3HB HIS 93 93.740 7.544 8.683 712 HD1 HIS 93 HD1 HIS 93 91.381 10.323 9.823 713 HD2 HIS 93 HD2 HIS 93 92.251 6.334 10.667 714 HE1 HIS 93 HE1 HIS 93 89.709 9.582 11.574 715 H ASN 94 HN ASN 94 94.171 10.037 11.926 716 HA ASN 94 HA ASN 94 95.156 9.259 13.907 717 1HB ASN 94 2HB ASN 94 95.052 6.676 12.323 718 2HB ASN 94 3HB ASN 94 95.376 6.775 14.051 719 1HD2 ASN 94 HD22 ASN 94 91.658 6.288 13.359 720 2HD2 ASN 94 HD21 ASN 94 93.023 5.479 12.758 721 H ASP 95 HN ASP 95 96.829 9.449 11.057 722 HA ASP 95 HA ASP 95 99.123 9.469 10.533 723 1HB ASP 95 2HB ASP 95 99.287 9.692 13.552 724 2HB ASP 95 3HB ASP 95 100.656 9.914 12.463 725 H SER 96 HN SER 96 97.731 6.814 11.223 726 HA SER 96 HA SER 96 100.263 5.279 11.437 727 1HB SER 96 2HB SER 96 97.856 4.890 13.227 728 2HB SER 96 3HB SER 96 99.123 3.684 13.038 729 HG SER 96 HG SER 96 99.723 4.921 14.754 730 H LEU 97 HN LEU 97 97.770 5.860 9.547 731 HA LEU 97 HA LEU 97 97.145 3.000 9.000 732 1HB LEU 97 2HB LEU 97 95.862 5.599 8.168 733 2HB LEU 97 3HB LEU 97 95.529 4.105 7.295 734 HG LEU 97 HG LEU 97 95.057 3.094 9.643 735 1HD1 LEU 97 HD11 LEU 97 95.983 5.195 10.771 736 2HD1 LEU 97 HD13 LEU 97 94.494 5.992 10.276 737 3HD1 LEU 97 HD12 LEU 97 94.436 4.611 11.369 738 1HD2 LEU 97 HD21 LEU 97 93.373 3.648 7.821 739 2HD2 LEU 97 HD23 LEU 97 92.735 3.689 9.466 740 3HD2 LEU 97 HD22 LEU 97 93.123 5.194 8.632 741 H ASN 98 HN ASN 98 99.443 2.836 8.291 742 HA ASN 98 HA ASN 98 100.208 4.242 5.864 743 1HB ASN 98 2HB ASN 98 101.778 3.443 7.672 744 2HB ASN 98 3HB ASN 98 101.466 1.795 7.128 745 1HD2 ASN 98 HD22 ASN 98 104.303 2.328 5.051 746 2HD2 ASN 98 HD21 ASN 98 103.734 1.569 6.459 747 H VAL 99 HN VAL 99 98.207 3.588 4.722 748 HA VAL 99 HA VAL 99 98.679 1.123 3.175 749 HB VAL 99 HB VAL 99 97.327 0.244 4.960 750 1HG1 VAL 99 HG13 VAL 99 96.546 2.463 5.794 751 2HG1 VAL 99 HG12 VAL 99 95.417 2.540 4.441 752 3HG1 VAL 99 HG11 VAL 99 95.239 1.286 5.667 753 1HG2 VAL 99 HG23 VAL 99 96.648 -0.071 2.423 754 2HG2 VAL 99 HG22 VAL 99 95.594 -0.677 3.703 755 3HG2 VAL 99 HG21 VAL 99 95.224 0.852 2.907 756 H THR 100 HN THR 100 97.447 1.100 1.216 757 HA THR 100 HA THR 100 96.095 3.681 0.527 758 HB THR 100 HB THR 100 97.125 3.558 -1.706 759 HG1 THR 100 HG1 THR 100 97.368 1.297 -1.764 760 1HG2 THR 100 HG23 THR 100 98.748 3.716 0.771 761 2HG2 THR 100 HG22 THR 100 99.654 3.543 -0.734 762 3HG2 THR 100 HG21 THR 100 98.548 4.899 -0.521 763 H LEU 101 HN LEU 101 94.127 3.362 -0.519 764 HA LEU 101 HA LEU 101 93.145 0.627 -0.672 765 1HB LEU 101 2HB LEU 101 91.932 3.162 -1.824 766 2HB LEU 101 3HB LEU 101 91.090 1.638 -1.542 767 HG LEU 101 HG LEU 101 92.337 3.417 0.578 768 1HD1 LEU 101 HD11 LEU 101 89.954 3.782 -0.650 769 2HD1 LEU 101 HD13 LEU 101 89.469 2.641 0.604 770 3HD1 LEU 101 HD12 LEU 101 90.224 4.170 1.047 771 1HD2 LEU 101 HD21 LEU 101 91.435 0.603 0.585 772 2HD2 LEU 101 HD23 LEU 101 92.568 1.420 1.653 773 3HD2 LEU 101 HD22 LEU 101 90.833 1.582 1.916 774 H ALA 102 HN ALA 102 95.085 0.054 -2.043 775 HA ALA 102 HA ALA 102 94.575 0.632 -4.928 776 1HB ALA 102 HB2 ALA 102 96.808 1.231 -3.573 777 2HB ALA 102 HB1 ALA 102 97.195 -0.433 -4.010 778 3HB ALA 102 HB3 ALA 102 96.841 0.749 -5.269 779 H TYR 103 HN TYR 103 94.424 -1.909 -2.630 780 HA TYR 103 HA TYR 103 94.782 -3.882 -4.858 781 1HB TYR 103 2HB TYR 103 95.283 -4.246 -1.890 782 2HB TYR 103 3HB TYR 103 95.366 -5.540 -3.086 783 HD1 TYR 103 HD1 TYR 103 97.172 -5.609 -4.758 784 HD2 TYR 103 HD2 TYR 103 96.984 -2.497 -1.798 785 HE1 TYR 103 HE1 TYR 103 99.519 -4.978 -5.267 786 HE2 TYR 103 HE2 TYR 103 99.328 -1.870 -2.306 787 HH TYR 103 HH TYR 103 100.916 -2.733 -5.011 788 HA PRO 104 HA PRO 104 90.320 -4.238 -3.874 789 1HB PRO 104 2HB PRO 104 90.474 -6.020 -6.241 790 2HB PRO 104 3HB PRO 104 89.387 -4.667 -5.918 791 1HG PRO 104 2HG PRO 104 91.365 -4.484 -7.700 792 2HG PRO 104 3HG PRO 104 90.872 -3.105 -6.706 793 1HD PRO 104 2HD PRO 104 93.280 -4.865 -6.420 794 2HD PRO 104 3HD PRO 104 93.106 -3.128 -6.090 795 H VAL 105 HN VAL 105 89.274 -6.001 -2.847 796 HA VAL 105 HA VAL 105 90.959 -8.154 -1.916 797 HB VAL 105 HB VAL 105 88.822 -7.121 -0.836 798 1HG1 VAL 105 HG12 VAL 105 87.415 -7.651 -2.864 799 2HG1 VAL 105 HG11 VAL 105 87.587 -9.360 -2.470 800 3HG1 VAL 105 HG13 VAL 105 86.750 -8.280 -1.357 801 1HG2 VAL 105 HG22 VAL 105 89.990 -9.801 -0.738 802 2HG2 VAL 105 HG21 VAL 105 89.494 -8.741 0.584 803 3HG2 VAL 105 HG23 VAL 105 88.309 -9.781 -0.208 804 H TYR 106 HN TYR 106 88.591 -7.814 -4.512 805 HA TYR 106 HA TYR 106 89.088 -10.641 -5.302 806 1HB TYR 106 2HB TYR 106 86.858 -8.738 -6.006 807 2HB TYR 106 3HB TYR 106 87.096 -10.279 -6.825 808 HD1 TYR 106 HD1 TYR 106 87.490 -12.338 -5.175 809 HD2 TYR 106 HD2 TYR 106 85.459 -8.695 -4.143 810 HE1 TYR 106 HE1 TYR 106 86.335 -13.507 -3.321 811 HE2 TYR 106 HE2 TYR 106 84.307 -9.871 -2.285 812 HH TYR 106 HH TYR 106 85.230 -12.497 -0.924 813 H ALA 107 HN ALA 107 91.172 -8.866 -5.844 814 HA ALA 107 HA ALA 107 90.861 -8.155 -8.714 815 1HB ALA 107 HB3 ALA 107 92.362 -7.079 -6.519 816 2HB ALA 107 HB2 ALA 107 93.492 -7.593 -7.771 817 3HB ALA 107 HB1 ALA 107 92.208 -6.447 -8.158 818 H GLN 108 HN GLN 108 93.580 -9.549 -6.850 819 HA GLN 108 HA GLN 108 94.669 -10.969 -9.065 820 1HB GLN 108 2HB GLN 108 94.898 -11.449 -6.081 821 2HB GLN 108 3HB GLN 108 95.825 -12.350 -7.278 822 1HG GLN 108 2HG GLN 108 96.703 -10.159 -8.153 823 2HG GLN 108 3HG GLN 108 95.892 -9.356 -6.804 824 1HE2 GLN 108 HE22 GLN 108 98.739 -12.051 -5.583 825 2HE2 GLN 108 HE21 GLN 108 97.555 -12.527 -6.702 826 H GLN 109 HN GLN 109 92.369 -11.966 -6.545 827 HA GLN 109 HA GLN 109 92.080 -14.604 -7.864 828 1HB GLN 109 2HB GLN 109 90.930 -13.486 -5.289 829 2HB GLN 109 3HB GLN 109 90.596 -15.106 -5.903 830 1HG GLN 109 2HG GLN 109 92.401 -15.375 -4.364 831 2HG GLN 109 3HG GLN 109 93.134 -15.447 -5.968 832 1HE2 GLN 109 HE22 GLN 109 95.403 -13.048 -4.634 833 2HE2 GLN 109 HE21 GLN 109 95.200 -14.681 -5.051 834 H ARG 110 HN ARG 110 90.325 -15.111 -9.108 835 HA ARG 110 HA ARG 110 88.125 -13.089 -9.253 836 1HB ARG 110 2HB ARG 110 89.213 -14.907 -11.430 837 2HB ARG 110 3HB ARG 110 87.812 -13.854 -11.610 838 1HG ARG 110 2HG ARG 110 89.356 -11.929 -10.903 839 2HG ARG 110 3HG ARG 110 90.694 -13.049 -11.168 840 1HD ARG 110 2HD ARG 110 88.604 -12.339 -13.245 841 2HD ARG 110 3HD ARG 110 90.222 -11.649 -13.174 842 HE ARG 110 HE ARG 110 90.606 -14.421 -13.215 843 1HH1 ARG 110 HH21 ARG 110 89.132 -11.987 -15.162 844 2HH1 ARG 110 HH22 ARG 110 89.291 -12.883 -16.635 845 1HH2 ARG 110 HH11 ARG 110 90.820 -15.603 -15.124 846 2HH2 ARG 110 HH12 ARG 110 90.245 -14.930 -16.615 847 H ARG 111 HN ARG 111 86.011 -13.897 -9.216 848 HA ARG 111 HA ARG 111 85.288 -16.051 -7.704 849 1HB ARG 111 2HB ARG 111 83.912 -15.032 -10.201 850 2HB ARG 111 3HB ARG 111 83.167 -16.150 -9.059 851 1HG ARG 111 2HG ARG 111 83.469 -14.516 -7.244 852 2HG ARG 111 3HG ARG 111 84.270 -13.413 -8.352 853 1HD ARG 111 2HD ARG 111 82.297 -12.607 -9.055 854 2HD ARG 111 3HD ARG 111 81.735 -14.225 -9.470 855 HE ARG 111 HE ARG 111 80.826 -12.693 -7.252 856 1HH1 ARG 111 HH21 ARG 111 82.082 -15.817 -7.941 857 2HH1 ARG 111 HH22 ARG 111 81.466 -16.536 -6.496 858 1HH2 ARG 111 HH11 ARG 111 80.007 -13.607 -5.359 859 2HH2 ARG 111 HH12 ARG 111 80.288 -15.285 -5.033 No H/Q in entry = 859 Start of MODEL 17 1 1H GLU 1 HT1 GLU 1 92.852 -1.059 -19.042 2 2H GLU 1 HT3 GLU 1 91.586 -0.966 -20.168 3 3H GLU 1 HT2 GLU 1 91.467 -0.142 -18.687 4 HA GLU 1 HA GLU 1 90.317 -1.894 -17.973 5 1HB GLU 1 2HB GLU 1 90.124 -2.655 -20.351 6 2HB GLU 1 3HB GLU 1 91.628 -3.553 -20.147 7 1HG GLU 1 2HG GLU 1 90.665 -5.004 -18.528 8 2HG GLU 1 3HG GLU 1 89.263 -3.956 -18.309 9 H ASP 2 HN ASP 2 93.527 -1.443 -17.853 10 HA ASP 2 HA ASP 2 94.142 -3.973 -16.434 11 1HB ASP 2 2HB ASP 2 95.770 -3.000 -18.115 12 2HB ASP 2 3HB ASP 2 96.014 -1.662 -16.991 13 H LEU 3 HN LEU 3 92.440 -1.604 -15.486 14 HA LEU 3 HA LEU 3 93.934 -1.113 -12.935 15 1HB LEU 3 2HB LEU 3 93.348 0.906 -14.347 16 2HB LEU 3 3HB LEU 3 91.657 0.522 -14.051 17 HG LEU 3 HG LEU 3 92.145 0.607 -11.585 18 1HD1 LEU 3 HD12 LEU 3 94.805 1.404 -12.716 19 2HD1 LEU 3 HD11 LEU 3 94.269 2.133 -11.202 20 3HD1 LEU 3 HD13 LEU 3 94.448 0.383 -11.326 21 1HD2 LEU 3 HD21 LEU 3 91.106 2.489 -12.851 22 2HD2 LEU 3 HD23 LEU 3 92.097 3.057 -11.510 23 3HD2 LEU 3 HD22 LEU 3 92.717 3.140 -13.158 24 HA PRO 4 HA PRO 4 90.720 -3.903 -11.358 25 1HB PRO 4 2HB PRO 4 91.687 -2.934 -8.738 26 2HB PRO 4 3HB PRO 4 91.577 -4.592 -9.356 27 1HG PRO 4 2HG PRO 4 93.911 -3.251 -9.068 28 2HG PRO 4 3HG PRO 4 93.652 -4.528 -10.266 29 1HD PRO 4 2HD PRO 4 93.877 -1.602 -10.663 30 2HD PRO 4 3HD PRO 4 94.193 -2.929 -11.803 31 H HIS 5 HN HIS 5 90.976 -0.536 -11.131 32 HA HIS 5 HA HIS 5 88.661 -0.215 -9.335 33 1HB HIS 5 2HB HIS 5 90.285 1.829 -10.874 34 2HB HIS 5 3HB HIS 5 89.029 2.206 -9.693 35 HD1 HIS 5 HD1 HIS 5 89.539 0.544 -7.345 36 HD2 HIS 5 HD2 HIS 5 92.726 2.017 -9.595 37 HE1 HIS 5 HE1 HIS 5 91.576 0.471 -5.839 38 H HIS 6 HN HIS 6 89.145 -0.685 -12.698 39 HA HIS 6 HA HIS 6 87.036 0.928 -13.758 40 1HB HIS 6 2HB HIS 6 88.209 -1.711 -14.660 41 2HB HIS 6 3HB HIS 6 86.930 -0.899 -15.559 42 HD1 HIS 6 HD1 HIS 6 87.584 1.805 -16.047 43 HD2 HIS 6 HD2 HIS 6 90.702 -0.910 -15.503 44 HE1 HIS 6 HE1 HIS 6 89.653 2.876 -17.052 45 H ASP 7 HN ASP 7 87.027 -2.331 -12.340 46 HA ASP 7 HA ASP 7 84.052 -2.298 -12.442 47 1HB ASP 7 2HB ASP 7 86.010 -4.587 -12.134 48 2HB ASP 7 3HB ASP 7 84.258 -4.767 -12.036 49 H GLU 8 HN GLU 8 82.968 -2.105 -10.504 50 HA GLU 8 HA GLU 8 84.513 -1.703 -8.099 51 1HB GLU 8 2HB GLU 8 82.507 -1.074 -7.045 52 2HB GLU 8 3HB GLU 8 82.319 -0.547 -8.712 53 1HG GLU 8 2HG GLU 8 81.276 -3.196 -7.686 54 2HG GLU 8 3HG GLU 8 80.312 -1.728 -7.756 55 H LYS 9 HN LYS 9 83.485 -4.476 -9.608 56 HA LYS 9 HA LYS 9 82.676 -6.148 -7.449 57 1HB LYS 9 2HB LYS 9 83.226 -7.980 -8.899 58 2HB LYS 9 3HB LYS 9 82.671 -6.674 -9.954 59 1HG LYS 9 2HG LYS 9 85.108 -5.957 -10.138 60 2HG LYS 9 3HG LYS 9 85.528 -7.483 -9.364 61 1HD LYS 9 2HD LYS 9 84.714 -8.761 -11.168 62 2HD LYS 9 3HD LYS 9 83.769 -7.416 -11.810 63 1HE LYS 9 2HE LYS 9 85.535 -6.561 -12.934 64 2HE LYS 9 3HE LYS 9 86.640 -6.822 -11.583 65 1HZ LYS 9 HZ3 LYS 9 85.647 -9.075 -13.220 66 2HZ LYS 9 HZ2 LYS 9 86.997 -8.166 -13.710 67 3HZ LYS 9 HZ1 LYS 9 87.025 -9.008 -12.235 68 H THR 10 HN THR 10 85.892 -5.216 -8.609 69 HA THR 10 HA THR 10 87.398 -7.085 -7.077 70 HB THR 10 HB THR 10 89.267 -5.437 -7.374 71 HG1 THR 10 HG1 THR 10 87.105 -3.858 -7.894 72 1HG2 THR 10 HG23 THR 10 87.909 -6.996 -9.246 73 2HG2 THR 10 HG22 THR 10 88.124 -5.445 -10.055 74 3HG2 THR 10 HG21 THR 10 89.526 -6.315 -9.435 75 H TRP 11 HN TRP 11 85.970 -3.994 -6.168 76 HA TRP 11 HA TRP 11 86.997 -4.490 -3.409 77 1HB TRP 11 2HB TRP 11 86.388 -1.835 -3.394 78 2HB TRP 11 3HB TRP 11 87.997 -2.479 -3.692 79 HD1 TRP 11 HD1 TRP 11 88.563 -2.952 -6.359 80 HE1 TRP 11 HE1 TRP 11 87.918 -1.583 -8.433 81 HE3 TRP 11 HE3 TRP 11 84.746 -0.218 -4.396 82 HZ2 TRP 11 HZ2 TRP 11 86.034 0.470 -9.146 83 HZ3 TRP 11 HZ3 TRP 11 83.541 1.443 -5.788 84 HH2 TRP 11 HH2 TRP 11 84.178 1.786 -8.157 85 H ASN 12 HN ASN 12 84.226 -4.191 -5.364 86 HA ASN 12 HA ASN 12 82.481 -3.273 -3.174 87 1HB ASN 12 2HB ASN 12 82.138 -2.630 -5.572 88 2HB ASN 12 3HB ASN 12 81.718 -4.309 -5.904 89 1HD2 ASN 12 HD22 ASN 12 78.400 -3.147 -5.272 90 2HD2 ASN 12 HD21 ASN 12 79.516 -3.499 -6.502 91 H VAL 13 HN VAL 13 81.809 -4.702 -1.661 92 HA VAL 13 HA VAL 13 80.888 -7.372 -2.568 93 HB VAL 13 HB VAL 13 83.249 -7.515 -1.670 94 1HG1 VAL 13 HG13 VAL 13 82.980 -5.816 0.113 95 2HG1 VAL 13 HG12 VAL 13 81.863 -6.890 0.952 96 3HG1 VAL 13 HG11 VAL 13 83.550 -7.353 0.756 97 1HG2 VAL 13 HG23 VAL 13 80.978 -8.990 -0.321 98 2HG2 VAL 13 HG22 VAL 13 81.909 -9.509 -1.717 99 3HG2 VAL 13 HG21 VAL 13 82.665 -9.453 -0.125 100 H GLY 14 HN GLY 14 79.549 -4.899 -1.794 101 1HA GLY 14 2HA GLY 14 78.569 -4.659 0.765 102 2HA GLY 14 3HA GLY 14 77.539 -4.440 -0.648 103 H SER 15 HN SER 15 78.087 -7.378 -1.359 104 HA SER 15 HA SER 15 75.730 -8.455 -0.096 105 1HB SER 15 2HB SER 15 77.953 -9.784 -1.663 106 2HB SER 15 3HB SER 15 76.504 -10.627 -1.118 107 HG SER 15 HG SER 15 75.270 -9.244 -2.367 108 H SER 16 HN SER 16 79.193 -8.806 0.536 109 HA SER 16 HA SER 16 78.961 -10.940 2.432 110 1HB SER 16 2HB SER 16 81.106 -10.319 1.406 111 2HB SER 16 3HB SER 16 81.053 -8.752 2.210 112 HG SER 16 HG SER 16 82.037 -9.783 3.758 113 H ASN 17 HN ASN 17 78.866 -10.880 4.707 114 HA ASN 17 HA ASN 17 77.525 -8.505 5.816 115 1HB ASN 17 2HB ASN 17 78.203 -11.193 7.052 116 2HB ASN 17 3HB ASN 17 77.272 -9.925 7.850 117 1HD2 ASN 17 HD22 ASN 17 75.331 -12.442 5.460 118 2HD2 ASN 17 HD21 ASN 17 76.866 -12.742 6.117 119 H ARG 18 HN ARG 18 78.325 -7.630 7.949 120 HA ARG 18 HA ARG 18 81.030 -6.785 7.738 121 1HB ARG 18 2HB ARG 18 79.123 -6.825 10.093 122 2HB ARG 18 3HB ARG 18 80.715 -6.065 10.152 123 1HG ARG 18 2HG ARG 18 80.111 -4.600 8.272 124 2HG ARG 18 3HG ARG 18 78.528 -5.374 8.162 125 1HD ARG 18 2HD ARG 18 78.321 -3.294 9.428 126 2HD ARG 18 3HD ARG 18 78.052 -4.664 10.505 127 HE ARG 18 HE ARG 18 80.768 -4.149 10.737 128 1HH1 ARG 18 HH21 ARG 18 77.847 -2.332 11.028 129 2HH1 ARG 18 HH22 ARG 18 78.478 -1.264 12.235 130 1HH2 ARG 18 HH11 ARG 18 81.607 -2.769 12.302 131 2HH2 ARG 18 HH12 ARG 18 80.617 -1.506 12.953 132 H ASN 19 HN ASN 19 79.578 -9.424 9.660 133 HA ASN 19 HA ASN 19 81.933 -10.128 11.100 134 1HB ASN 19 2HB ASN 19 79.498 -11.683 10.239 135 2HB ASN 19 3HB ASN 19 80.822 -12.471 11.100 136 1HD2 ASN 19 HD22 ASN 19 80.261 -10.598 14.140 137 2HD2 ASN 19 HD21 ASN 19 81.500 -11.307 13.220 138 H LYS 20 HN LYS 20 80.747 -11.203 7.912 139 HA LYS 20 HA LYS 20 82.907 -13.038 7.429 140 1HB LYS 20 2HB LYS 20 80.804 -13.014 6.087 141 2HB LYS 20 3HB LYS 20 81.294 -11.469 5.388 142 1HG LYS 20 2HG LYS 20 83.298 -12.483 4.448 143 2HG LYS 20 3HG LYS 20 82.925 -14.020 5.227 144 1HD LYS 20 2HD LYS 20 80.710 -13.952 3.933 145 2HD LYS 20 3HD LYS 20 81.436 -12.658 2.979 146 1HE LYS 20 2HE LYS 20 82.201 -15.552 3.136 147 2HE LYS 20 3HE LYS 20 82.051 -14.510 1.720 148 1HZ LYS 20 HZ2 LYS 20 84.014 -13.274 2.558 149 2HZ LYS 20 HZ1 LYS 20 84.201 -14.457 3.763 150 3HZ LYS 20 HZ3 LYS 20 84.352 -14.885 2.131 151 H ALA 21 HN ALA 21 82.546 -9.578 7.152 152 HA ALA 21 HA ALA 21 84.731 -9.000 5.435 153 1HB ALA 21 HB1 ALA 21 82.901 -7.494 6.844 154 2HB ALA 21 HB3 ALA 21 84.402 -7.134 7.696 155 3HB ALA 21 HB2 ALA 21 84.277 -6.831 5.965 156 H GLU 22 HN GLU 22 84.624 -9.538 8.959 157 HA GLU 22 HA GLU 22 87.380 -8.976 9.460 158 1HB GLU 22 2HB GLU 22 85.433 -10.843 10.851 159 2HB GLU 22 3HB GLU 22 87.056 -10.500 11.453 160 1HG GLU 22 2HG GLU 22 86.543 -8.126 11.631 161 2HG GLU 22 3HG GLU 22 84.955 -8.383 10.903 162 H ASN 23 HN ASN 23 85.700 -12.000 8.603 163 HA ASN 23 HA ASN 23 87.989 -13.685 8.617 164 1HB ASN 23 2HB ASN 23 85.454 -13.802 6.951 165 2HB ASN 23 3HB ASN 23 86.660 -15.088 6.995 166 1HD2 ASN 23 HD22 ASN 23 85.671 -14.854 10.813 167 2HD2 ASN 23 HD21 ASN 23 86.847 -13.904 10.041 168 H LEU 24 HN LEU 24 86.462 -11.751 6.053 169 HA LEU 24 HA LEU 24 88.352 -12.381 4.000 170 1HB LEU 24 2HB LEU 24 86.553 -9.985 4.449 171 2HB LEU 24 3HB LEU 24 87.559 -10.168 3.012 172 HG LEU 24 HG LEU 24 85.539 -12.236 3.926 173 1HD1 LEU 24 HD13 LEU 24 85.231 -9.724 2.431 174 2HD1 LEU 24 HD12 LEU 24 84.613 -11.132 1.566 175 3HD1 LEU 24 HD11 LEU 24 84.000 -10.746 3.173 176 1HD2 LEU 24 HD21 LEU 24 87.562 -12.032 1.790 177 2HD2 LEU 24 HD23 LEU 24 86.779 -13.464 2.460 178 3HD2 LEU 24 HD22 LEU 24 85.965 -12.511 1.220 179 H LEU 25 HN LEU 25 88.248 -9.834 6.484 180 HA LEU 25 HA LEU 25 90.672 -8.536 5.531 181 1HB LEU 25 2HB LEU 25 89.171 -8.428 8.157 182 2HB LEU 25 3HB LEU 25 90.632 -7.493 7.860 183 HG LEU 25 HG LEU 25 88.578 -7.309 5.735 184 1HD1 LEU 25 HD13 LEU 25 87.455 -7.218 8.166 185 2HD1 LEU 25 HD12 LEU 25 88.088 -5.575 8.121 186 3HD1 LEU 25 HD11 LEU 25 86.966 -6.127 6.880 187 1HD2 LEU 25 HD22 LEU 25 90.388 -5.384 7.230 188 2HD2 LEU 25 HD21 LEU 25 90.575 -5.971 5.576 189 3HD2 LEU 25 HD23 LEU 25 89.257 -4.871 5.977 190 H ARG 26 HN ARG 26 89.891 -11.117 7.761 191 HA ARG 26 HA ARG 26 92.459 -11.325 9.024 192 1HB ARG 26 2HB ARG 26 89.990 -12.965 8.763 193 2HB ARG 26 3HB ARG 26 91.464 -13.820 9.223 194 1HG ARG 26 2HG ARG 26 89.876 -12.751 11.049 195 2HG ARG 26 3HG ARG 26 91.621 -12.722 11.250 196 1HD ARG 26 2HD ARG 26 90.409 -10.438 9.786 197 2HD ARG 26 3HD ARG 26 90.071 -10.526 11.503 198 HE ARG 26 HE ARG 26 92.517 -9.659 10.299 199 1HH1 ARG 26 HH21 ARG 26 91.395 -11.742 12.814 200 2HH1 ARG 26 HH22 ARG 26 92.906 -11.732 13.659 201 1HH2 ARG 26 HH11 ARG 26 94.474 -9.640 11.384 202 2HH2 ARG 26 HH12 ARG 26 94.646 -10.543 12.853 203 H GLY 27 HN GLY 27 94.310 -12.287 8.287 204 1HA GLY 27 2HA GLY 27 95.661 -13.739 6.986 205 2HA GLY 27 3HA GLY 27 94.205 -14.317 6.176 206 H LYS 28 HN LYS 28 94.297 -10.933 6.245 207 HA LYS 28 HA LYS 28 95.266 -10.911 3.423 208 1HB LYS 28 2HB LYS 28 93.368 -9.059 4.892 209 2HB LYS 28 3HB LYS 28 94.009 -8.717 3.286 210 1HG LYS 28 2HG LYS 28 92.402 -11.177 4.042 211 2HG LYS 28 3HG LYS 28 91.790 -9.780 3.154 212 1HD LYS 28 2HD LYS 28 93.873 -10.303 1.587 213 2HD LYS 28 3HD LYS 28 93.662 -11.925 2.247 214 1HE LYS 28 2HE LYS 28 91.305 -11.920 1.548 215 2HE LYS 28 3HE LYS 28 91.489 -10.287 0.912 216 1HZ LYS 28 HZ1 LYS 28 93.379 -11.298 -0.455 217 2HZ LYS 28 HZ3 LYS 28 92.677 -12.796 -0.084 218 3HZ LYS 28 HZ2 LYS 28 91.782 -11.628 -0.934 219 H ARG 29 HN ARG 29 97.035 -9.692 2.953 220 HA ARG 29 HA ARG 29 98.534 -8.493 5.133 221 1HB ARG 29 2HB ARG 29 100.206 -7.969 3.442 222 2HB ARG 29 3HB ARG 29 99.629 -9.614 3.184 223 1HG ARG 29 2HG ARG 29 98.014 -8.705 1.486 224 2HG ARG 29 3HG ARG 29 98.792 -7.132 1.663 225 1HD ARG 29 2HD ARG 29 99.782 -8.297 -0.241 226 2HD ARG 29 3HD ARG 29 100.972 -8.195 1.061 227 HE ARG 29 HE ARG 29 99.774 -10.628 1.521 228 1HH1 ARG 29 HH21 ARG 29 101.162 -9.041 -1.203 229 2HH1 ARG 29 HH22 ARG 29 101.739 -10.504 -1.928 230 1HH2 ARG 29 HH11 ARG 29 100.518 -12.544 0.592 231 2HH2 ARG 29 HH12 ARG 29 101.372 -12.495 -0.915 232 H ASP 30 HN ASP 30 99.393 -6.201 4.846 233 HA ASP 30 HA ASP 30 97.263 -4.334 4.948 234 1HB ASP 30 2HB ASP 30 99.571 -4.064 5.927 235 2HB ASP 30 3HB ASP 30 100.157 -3.721 4.299 236 H GLY 31 HN GLY 31 96.375 -2.947 3.431 237 1HA GLY 31 2HA GLY 31 96.531 -1.746 1.265 238 2HA GLY 31 3HA GLY 31 97.448 -3.121 0.639 239 H THR 32 HN THR 32 95.580 -5.023 2.033 240 HA THR 32 HA THR 32 93.745 -5.441 -0.136 241 HB THR 32 HB THR 32 93.581 -6.455 2.725 242 HG1 THR 32 HG1 THR 32 95.353 -6.910 0.827 243 1HG2 THR 32 HG21 THR 32 91.660 -6.609 0.789 244 2HG2 THR 32 HG23 THR 32 92.575 -8.087 0.488 245 3HG2 THR 32 HG22 THR 32 91.869 -7.795 2.078 246 H PHE 33 HN PHE 33 91.932 -4.233 -0.538 247 HA PHE 33 HA PHE 33 90.505 -3.077 1.807 248 1HB PHE 33 2HB PHE 33 91.329 -1.053 1.226 249 2HB PHE 33 3HB PHE 33 91.980 -1.681 -0.277 250 HD1 PHE 33 HD1 PHE 33 90.704 -1.649 -2.326 251 HD2 PHE 33 HD2 PHE 33 89.061 -0.081 1.318 252 HE1 PHE 33 HE1 PHE 33 88.900 -0.529 -3.593 253 HE2 PHE 33 HE2 PHE 33 87.258 1.024 0.004 254 HZ PHE 33 HZ PHE 33 87.194 0.773 -2.437 255 H LEU 34 HN LEU 34 88.277 -2.881 1.574 256 HA LEU 34 HA LEU 34 87.077 -3.522 -1.064 257 1HB LEU 34 2HB LEU 34 85.495 -5.117 0.024 258 2HB LEU 34 3HB LEU 34 87.157 -5.679 0.033 259 HG LEU 34 HG LEU 34 86.249 -4.070 2.366 260 1HD1 LEU 34 HD11 LEU 34 85.436 -6.936 1.800 261 2HD1 LEU 34 HD13 LEU 34 85.422 -6.228 3.414 262 3HD1 LEU 34 HD12 LEU 34 84.376 -5.573 2.157 263 1HD2 LEU 34 HD21 LEU 34 88.566 -5.288 1.733 264 2HD2 LEU 34 HD23 LEU 34 88.019 -5.126 3.401 265 3HD2 LEU 34 HD22 LEU 34 87.758 -6.637 2.530 266 H VAL 35 HN VAL 35 84.810 -2.923 -1.175 267 HA VAL 35 HA VAL 35 84.135 -0.744 0.738 268 HB VAL 35 HB VAL 35 83.154 -1.311 -2.090 269 1HG1 VAL 35 HG12 VAL 35 82.008 0.270 0.044 270 2HG1 VAL 35 HG11 VAL 35 82.514 1.321 -1.280 271 3HG1 VAL 35 HG13 VAL 35 81.388 -0.006 -1.584 272 1HG2 VAL 35 HG22 VAL 35 85.054 0.707 -0.873 273 2HG2 VAL 35 HG21 VAL 35 85.371 -0.429 -2.173 274 3HG2 VAL 35 HG23 VAL 35 84.315 0.952 -2.452 275 H ARG 36 HN ARG 36 82.174 -0.911 1.925 276 HA ARG 36 HA ARG 36 80.351 -3.180 1.298 277 1HB ARG 36 2HB ARG 36 82.140 -4.051 2.810 278 2HB ARG 36 3HB ARG 36 81.735 -2.804 3.987 279 1HG ARG 36 2HG ARG 36 80.541 -4.672 4.780 280 2HG ARG 36 3HG ARG 36 79.327 -3.808 3.857 281 1HD ARG 36 2HD ARG 36 79.014 -5.666 2.648 282 2HD ARG 36 3HD ARG 36 80.615 -5.418 1.968 283 HE ARG 36 HE ARG 36 79.968 -7.647 3.453 284 1HH1 ARG 36 HH21 ARG 36 82.070 -4.966 4.102 285 2HH1 ARG 36 HH22 ARG 36 83.197 -5.921 4.993 286 1HH2 ARG 36 HH11 ARG 36 81.433 -8.865 4.615 287 2HH2 ARG 36 HH12 ARG 36 82.842 -8.114 5.285 288 H GLU 37 HN GLU 37 78.307 -2.988 2.710 289 HA GLU 37 HA GLU 37 77.661 -0.129 2.980 290 1HB GLU 37 2HB GLU 37 75.958 -2.604 3.433 291 2HB GLU 37 3HB GLU 37 75.366 -0.944 3.347 292 1HG GLU 37 2HG GLU 37 76.879 -2.286 1.095 293 2HG GLU 37 3HG GLU 37 75.120 -2.262 1.200 294 H SER 38 HN SER 38 76.374 0.443 5.079 295 HA SER 38 HA SER 38 78.028 -0.365 7.366 296 1HB SER 38 2HB SER 38 76.570 1.137 8.653 297 2HB SER 38 3HB SER 38 77.095 1.937 7.176 298 HG SER 38 HG SER 38 74.705 1.834 7.881 299 H SER 39 HN SER 39 76.101 -1.950 5.613 300 HA SER 39 HA SER 39 75.187 -4.079 6.025 301 1HB SER 39 2HB SER 39 76.130 -3.688 8.469 302 2HB SER 39 3HB SER 39 74.452 -3.297 8.839 303 HG SER 39 HG SER 39 75.303 -5.620 8.912 304 H LYS 40 HN LYS 40 72.892 -3.689 8.268 305 HA LYS 40 HA LYS 40 70.908 -2.829 6.253 306 1HB LYS 40 2HB LYS 40 70.650 -4.019 9.031 307 2HB LYS 40 3HB LYS 40 69.263 -3.518 8.063 308 1HG LYS 40 2HG LYS 40 70.082 -5.039 6.228 309 2HG LYS 40 3HG LYS 40 71.312 -5.636 7.343 310 1HD LYS 40 2HD LYS 40 69.621 -6.438 8.882 311 2HD LYS 40 3HD LYS 40 68.338 -5.691 7.930 312 1HE LYS 40 2HE LYS 40 69.134 -7.164 5.986 313 2HE LYS 40 3HE LYS 40 70.069 -8.056 7.187 314 1HZ LYS 40 HZ2 LYS 40 67.987 -8.369 8.444 315 2HZ LYS 40 HZ1 LYS 40 67.130 -7.644 7.171 316 3HZ LYS 40 HZ3 LYS 40 67.950 -9.105 6.913 317 H GLN 41 HN GLN 41 72.844 -1.231 8.374 318 HA GLN 41 HA GLN 41 70.982 0.531 9.703 319 1HB GLN 41 2HB GLN 41 73.916 0.857 9.024 320 2HB GLN 41 3HB GLN 41 73.005 1.973 10.042 321 1HG GLN 41 2HG GLN 41 73.382 -0.990 10.572 322 2HG GLN 41 3HG GLN 41 74.209 0.318 11.420 323 1HE2 GLN 41 HE22 GLN 41 70.571 -0.777 12.675 324 2HE2 GLN 41 HE21 GLN 41 71.506 -1.700 11.600 325 H GLY 42 HN GLY 42 72.500 0.575 6.521 326 1HA GLY 42 2HA GLY 42 71.395 1.812 4.712 327 2HA GLY 42 3HA GLY 42 70.873 2.998 5.905 328 H CYS 43 HN CYS 43 73.811 2.573 6.997 329 HA CYS 43 HA CYS 43 74.907 4.809 5.403 330 1HB CYS 43 2HB CYS 43 75.807 3.479 7.968 331 2HB CYS 43 3HB CYS 43 76.724 4.753 7.165 332 HG CYS 43 HG CYS 43 74.572 6.309 7.468 333 H TYR 44 HN TYR 44 77.179 4.674 4.615 334 HA TYR 44 HA TYR 44 77.717 1.935 3.575 335 1HB TYR 44 2HB TYR 44 78.619 4.662 2.614 336 2HB TYR 44 3HB TYR 44 79.046 3.134 1.839 337 HD1 TYR 44 HD1 TYR 44 77.329 1.782 0.707 338 HD2 TYR 44 HD2 TYR 44 76.386 5.572 2.490 339 HE1 TYR 44 HE1 TYR 44 75.171 1.819 -0.516 340 HE2 TYR 44 HE2 TYR 44 74.229 5.612 1.269 341 HH TYR 44 HH TYR 44 73.512 3.410 -1.269 342 H ALA 45 HN ALA 45 80.003 1.186 3.504 343 HA ALA 45 HA ALA 45 82.017 2.684 4.981 344 1HB ALA 45 HB2 ALA 45 80.834 0.187 6.231 345 2HB ALA 45 HB1 ALA 45 82.290 1.006 6.796 346 3HB ALA 45 HB3 ALA 45 80.729 1.823 6.881 347 H CYS 46 HN CYS 46 84.094 1.855 4.561 348 HA CYS 46 HA CYS 46 84.146 -0.597 2.857 349 1HB CYS 46 2HB CYS 46 86.101 1.737 2.812 350 2HB CYS 46 3HB CYS 46 86.119 0.347 1.718 351 HG CYS 46 HG CYS 46 83.808 1.174 0.758 352 H SER 47 HN SER 47 85.709 -2.157 3.387 353 HA SER 47 HA SER 47 87.051 -1.657 6.004 354 1HB SER 47 2HB SER 47 86.890 -4.046 6.414 355 2HB SER 47 3HB SER 47 85.299 -3.403 6.027 356 HG SER 47 HG SER 47 85.317 -4.893 4.542 357 H VAL 48 HN VAL 48 89.200 -2.221 6.283 358 HA VAL 48 HA VAL 48 90.655 -3.504 4.057 359 HB VAL 48 HB VAL 48 90.858 -1.324 3.250 360 1HG1 VAL 48 HG11 VAL 48 90.532 -0.634 6.080 361 2HG1 VAL 48 HG13 VAL 48 91.680 0.399 5.230 362 3HG1 VAL 48 HG12 VAL 48 90.022 0.254 4.645 363 1HG2 VAL 48 HG21 VAL 48 93.094 -2.510 3.878 364 2HG2 VAL 48 HG23 VAL 48 93.144 -0.802 3.451 365 3HG2 VAL 48 HG22 VAL 48 93.195 -1.290 5.144 366 H VAL 49 HN VAL 49 92.864 -4.041 4.675 367 HA VAL 49 HA VAL 49 93.171 -4.375 7.624 368 HB VAL 49 HB VAL 49 94.560 -5.667 5.265 369 1HG1 VAL 49 HG12 VAL 49 95.312 -5.448 8.117 370 2HG1 VAL 49 HG11 VAL 49 95.393 -7.075 7.439 371 3HG1 VAL 49 HG13 VAL 49 96.323 -5.767 6.707 372 1HG2 VAL 49 HG21 VAL 49 92.416 -6.439 7.171 373 2HG2 VAL 49 HG23 VAL 49 92.644 -6.918 5.489 374 3HG2 VAL 49 HG22 VAL 49 93.591 -7.687 6.764 375 H VAL 50 HN VAL 50 95.009 -3.457 8.691 376 HA VAL 50 HA VAL 50 97.071 -2.211 7.007 377 HB VAL 50 HB VAL 50 95.272 -0.520 7.070 378 1HG1 VAL 50 HG11 VAL 50 95.353 -1.185 9.909 379 2HG1 VAL 50 HG13 VAL 50 95.298 0.543 9.559 380 3HG1 VAL 50 HG12 VAL 50 94.056 -0.533 8.912 381 1HG2 VAL 50 HG22 VAL 50 97.746 0.061 7.058 382 2HG2 VAL 50 HG21 VAL 50 96.693 1.323 7.695 383 3HG2 VAL 50 HG23 VAL 50 97.613 0.302 8.800 384 H ASP 51 HN ASP 51 98.923 -1.608 8.119 385 HA ASP 51 HA ASP 51 100.581 -2.135 9.718 386 1HB ASP 51 2HB ASP 51 99.660 0.099 10.263 387 2HB ASP 51 3HB ASP 51 98.517 -0.658 11.371 388 H GLY 52 HN GLY 52 98.657 -4.379 9.530 389 1HA GLY 52 2HA GLY 52 98.575 -6.405 10.766 390 2HA GLY 52 3HA GLY 52 99.370 -5.571 12.096 391 H GLU 53 HN GLU 53 96.765 -3.708 11.174 392 HA GLU 53 HA GLU 53 94.978 -5.107 13.118 393 1HB GLU 53 2HB GLU 53 95.630 -2.163 12.920 394 2HB GLU 53 3HB GLU 53 94.229 -2.770 13.802 395 1HG GLU 53 2HG GLU 53 95.670 -4.115 15.243 396 2HG GLU 53 3HG GLU 53 97.092 -3.624 14.321 397 H VAL 54 HN VAL 54 92.906 -5.340 12.472 398 HA VAL 54 HA VAL 54 92.183 -4.530 9.754 399 HB VAL 54 HB VAL 54 90.699 -6.045 11.919 400 1HG1 VAL 54 HG13 VAL 54 89.785 -4.860 9.388 401 2HG1 VAL 54 HG12 VAL 54 89.440 -6.585 9.527 402 3HG1 VAL 54 HG11 VAL 54 88.844 -5.462 10.750 403 1HG2 VAL 54 HG22 VAL 54 92.111 -6.830 9.353 404 2HG2 VAL 54 HG21 VAL 54 92.525 -7.320 10.997 405 3HG2 VAL 54 HG23 VAL 54 91.046 -7.919 10.244 406 H LYS 55 HN LYS 55 91.033 -2.739 9.242 407 HA LYS 55 HA LYS 55 89.499 -1.389 11.427 408 1HB LYS 55 2HB LYS 55 91.449 -0.175 9.467 409 2HB LYS 55 3HB LYS 55 90.205 0.795 10.258 410 1HG LYS 55 2HG LYS 55 91.485 0.933 12.093 411 2HG LYS 55 3HG LYS 55 91.450 -0.819 12.251 412 1HD LYS 55 2HD LYS 55 93.373 -1.054 10.848 413 2HD LYS 55 3HD LYS 55 93.337 0.671 10.452 414 1HE LYS 55 2HE LYS 55 93.587 1.091 12.962 415 2HE LYS 55 3HE LYS 55 94.016 -0.614 13.093 416 1HZ LYS 55 HZ2 LYS 55 95.363 1.154 11.151 417 2HZ LYS 55 HZ1 LYS 55 95.885 1.067 12.766 418 3HZ LYS 55 HZ3 LYS 55 95.898 -0.324 11.797 419 H HIS 56 HN HIS 56 87.601 -0.310 10.760 420 HA HIS 56 HA HIS 56 86.709 -1.054 8.017 421 1HB HIS 56 2HB HIS 56 85.135 -0.425 10.523 422 2HB HIS 56 3HB HIS 56 84.399 -0.670 8.940 423 HD1 HIS 56 HD1 HIS 56 86.205 -3.049 7.995 424 HD2 HIS 56 HD2 HIS 56 84.341 -2.831 11.716 425 HE1 HIS 56 HE1 HIS 56 85.969 -5.434 8.820 426 H CYS 57 HN CYS 57 87.104 0.686 6.675 427 HA CYS 57 HA CYS 57 87.062 3.432 7.609 428 1HB CYS 57 2HB CYS 57 88.348 2.744 5.601 429 2HB CYS 57 3HB CYS 57 86.843 2.343 4.778 430 HG CYS 57 HG CYS 57 87.648 5.256 5.598 431 H VAL 58 HN VAL 58 85.297 4.657 7.940 432 HA VAL 58 HA VAL 58 82.678 3.535 7.192 433 HB VAL 58 HB VAL 58 83.641 5.654 9.084 434 1HG1 VAL 58 HG11 VAL 58 80.980 5.460 7.759 435 2HG1 VAL 58 HG13 VAL 58 80.981 5.762 9.497 436 3HG1 VAL 58 HG12 VAL 58 81.808 6.876 8.408 437 1HG2 VAL 58 HG21 VAL 58 81.884 3.192 9.305 438 2HG2 VAL 58 HG23 VAL 58 83.540 3.354 9.884 439 3HG2 VAL 58 HG22 VAL 58 82.244 4.275 10.649 440 H ILE 59 HN ILE 59 81.413 4.324 5.612 441 HA ILE 59 HA ILE 59 82.282 6.822 4.240 442 HB ILE 59 HB ILE 59 80.648 4.474 3.241 443 1HG1 ILE 59 HG12 ILE 59 83.012 3.944 3.439 444 2HG1 ILE 59 HG11 ILE 59 82.606 4.148 1.735 445 1HG2 ILE 59 HG23 ILE 59 81.509 7.018 1.856 446 2HG2 ILE 59 HG22 ILE 59 80.859 5.607 1.019 447 3HG2 ILE 59 HG21 ILE 59 79.854 6.490 2.169 448 1HD1 ILE 59 HD11 ILE 59 83.274 6.670 2.239 449 2HD1 ILE 59 HD13 ILE 59 84.219 5.914 3.523 450 3HD1 ILE 59 HD12 ILE 59 84.499 5.463 1.839 451 H ASN 60 HN ASN 60 80.818 8.570 4.233 452 HA ASN 60 HA ASN 60 78.090 7.945 5.317 453 1HB ASN 60 2HB ASN 60 79.797 10.403 5.786 454 2HB ASN 60 3HB ASN 60 78.122 10.232 6.314 455 1HD2 ASN 60 HD22 ASN 60 79.141 7.406 8.537 456 2HD2 ASN 60 HD21 ASN 60 78.076 7.575 7.226 457 H LYS 61 HN LYS 61 76.437 8.472 4.019 458 HA LYS 61 HA LYS 61 76.976 10.294 1.719 459 1HB LYS 61 2HB LYS 61 76.186 7.978 1.187 460 2HB LYS 61 3HB LYS 61 74.704 8.318 2.079 461 1HG LYS 61 2HG LYS 61 74.165 10.156 0.558 462 2HG LYS 61 3HG LYS 61 75.688 9.922 -0.300 463 1HD LYS 61 2HD LYS 61 74.518 8.554 -1.670 464 2HD LYS 61 3HD LYS 61 74.573 7.387 -0.349 465 1HE LYS 61 2HE LYS 61 72.439 8.183 0.507 466 2HE LYS 61 3HE LYS 61 72.394 9.469 -0.698 467 1HZ LYS 61 HZ3 LYS 61 72.630 7.497 -2.343 468 2HZ LYS 61 HZ2 LYS 61 72.025 6.573 -1.052 469 3HZ LYS 61 HZ1 LYS 61 71.111 7.861 -1.682 470 H THR 62 HN THR 62 76.061 12.267 1.786 471 HA THR 62 HA THR 62 73.655 12.652 3.520 472 HB THR 62 HB THR 62 76.005 14.542 3.169 473 HG1 THR 62 HG1 THR 62 76.215 14.111 5.436 474 1HG2 THR 62 HG22 THR 62 73.291 14.816 4.411 475 2HG2 THR 62 HG21 THR 62 74.654 15.666 5.139 476 3HG2 THR 62 HG23 THR 62 74.209 15.988 3.465 477 H ALA 63 HN ALA 63 72.617 14.903 2.852 478 HA ALA 63 HA ALA 63 71.460 14.809 0.383 479 1HB ALA 63 HB3 ALA 63 72.407 17.199 1.959 480 2HB ALA 63 HB2 ALA 63 71.594 17.411 0.408 481 3HB ALA 63 HB1 ALA 63 70.761 16.609 1.739 482 H THR 64 HN THR 64 74.771 15.760 1.067 483 HA THR 64 HA THR 64 75.398 15.506 -1.802 484 HB THR 64 HB THR 64 75.951 18.063 -0.264 485 HG1 THR 64 HG1 THR 64 74.231 17.449 -2.429 486 1HG2 THR 64 HG23 THR 64 76.979 16.909 -2.785 487 2HG2 THR 64 HG22 THR 64 76.472 18.596 -2.874 488 3HG2 THR 64 HG21 THR 64 77.707 18.105 -1.714 489 H GLY 65 HN GLY 65 76.277 13.683 -0.098 490 1HA GLY 65 2HA GLY 65 79.164 14.281 0.138 491 2HA GLY 65 3HA GLY 65 78.336 13.842 1.631 492 H TYR 66 HN TYR 66 80.001 12.024 1.443 493 HA TYR 66 HA TYR 66 78.671 9.624 0.531 494 1HB TYR 66 2HB TYR 66 79.584 10.298 -1.628 495 2HB TYR 66 3HB TYR 66 81.180 10.503 -0.906 496 HD1 TYR 66 HD2 TYR 66 78.523 7.978 -1.613 497 HD2 TYR 66 HD1 TYR 66 82.635 8.664 -0.603 498 HE1 TYR 66 HE2 TYR 66 79.021 5.573 -1.991 499 HE2 TYR 66 HE1 TYR 66 83.139 6.267 -0.988 500 HH TYR 66 HH TYR 66 81.686 4.052 -0.887 501 H GLY 67 HN GLY 67 81.988 10.732 1.077 502 1HA GLY 67 2HA GLY 67 82.205 8.718 3.257 503 2HA GLY 67 3HA GLY 67 83.565 9.144 2.218 504 H PHE 68 HN PHE 68 84.592 9.663 4.404 505 HA PHE 68 HA PHE 68 83.598 11.886 5.939 506 1HB PHE 68 2HB PHE 68 85.922 11.950 6.889 507 2HB PHE 68 3HB PHE 68 85.168 10.361 6.968 508 HD1 PHE 68 HD2 PHE 68 85.759 8.615 5.250 509 HD2 PHE 68 HD1 PHE 68 87.917 12.308 5.613 510 HE1 PHE 68 HE2 PHE 68 87.643 7.639 3.974 511 HE2 PHE 68 HE1 PHE 68 89.802 11.333 4.337 512 HZ PHE 68 HZ PHE 68 89.664 8.995 3.516 513 H ALA 69 HN ALA 69 84.185 14.073 5.855 514 HA ALA 69 HA ALA 69 84.977 15.027 3.203 515 1HB ALA 69 HB1 ALA 69 83.224 16.110 4.678 516 2HB ALA 69 HB3 ALA 69 84.537 16.659 5.717 517 3HB ALA 69 HB2 ALA 69 84.445 17.216 4.046 518 H GLU 70 HN GLU 70 86.873 16.116 2.702 519 HA GLU 70 HA GLU 70 89.008 16.235 4.787 520 1HB GLU 70 2HB GLU 70 89.136 15.073 1.998 521 2HB GLU 70 3HB GLU 70 90.586 15.538 2.875 522 1HG GLU 70 2HG GLU 70 88.497 13.600 3.907 523 2HG GLU 70 3HG GLU 70 90.030 13.132 3.167 524 HA PRO 71 HA PRO 71 89.972 20.394 3.689 525 1HB PRO 71 2HB PRO 71 92.430 19.417 2.300 526 2HB PRO 71 3HB PRO 71 92.256 20.692 3.517 527 1HG PRO 71 2HG PRO 71 93.152 18.125 4.006 528 2HG PRO 71 3HG PRO 71 92.540 19.253 5.223 529 1HD PRO 71 2HD PRO 71 91.349 16.785 4.368 530 2HD PRO 71 3HD PRO 71 90.714 17.936 5.555 531 H TYR 72 HN TYR 72 90.078 17.835 1.324 532 HA TYR 72 HA TYR 72 89.338 19.774 -0.822 533 1HB TYR 72 2HB TYR 72 90.617 17.027 -1.026 534 2HB TYR 72 3HB TYR 72 90.082 17.983 -2.407 535 HD1 TYR 72 HD2 TYR 72 91.181 20.135 -2.958 536 HD2 TYR 72 HD1 TYR 72 92.635 17.597 0.188 537 HE1 TYR 72 HE2 TYR 72 93.323 21.380 -2.943 538 HE2 TYR 72 HE1 TYR 72 94.779 18.844 0.202 539 HH TYR 72 HH TYR 72 96.062 20.297 -1.029 540 H ASN 73 HN ASN 73 87.211 19.642 -1.330 541 HA ASN 73 HA ASN 73 85.286 18.036 -0.174 542 1HB ASN 73 2HB ASN 73 83.824 18.562 -2.002 543 2HB ASN 73 3HB ASN 73 84.901 19.946 -1.812 544 1HD2 ASN 73 HD22 ASN 73 84.806 18.884 -5.442 545 2HD2 ASN 73 HD21 ASN 73 83.592 19.289 -4.326 546 H LEU 74 HN LEU 74 84.132 16.085 -0.947 547 HA LEU 74 HA LEU 74 85.915 14.003 -1.714 548 1HB LEU 74 2HB LEU 74 82.883 14.081 -1.576 549 2HB LEU 74 3HB LEU 74 83.845 12.617 -1.794 550 HG LEU 74 HG LEU 74 84.148 14.503 0.560 551 1HD1 LEU 74 HD13 LEU 74 82.224 12.355 0.016 552 2HD1 LEU 74 HD12 LEU 74 83.135 12.111 1.506 553 3HD1 LEU 74 HD11 LEU 74 82.200 13.589 1.274 554 1HD2 LEU 74 HD22 LEU 74 85.433 11.965 -0.341 555 2HD2 LEU 74 HD21 LEU 74 86.137 13.332 0.524 556 3HD2 LEU 74 HD23 LEU 74 85.145 12.157 1.388 557 H TYR 75 HN TYR 75 85.164 12.561 -3.532 558 HA TYR 75 HA TYR 75 85.331 14.091 -6.016 559 1HB TYR 75 2HB TYR 75 85.309 11.124 -5.467 560 2HB TYR 75 3HB TYR 75 85.533 11.832 -7.068 561 HD1 TYR 75 HD1 TYR 75 87.497 13.226 -7.566 562 HD2 TYR 75 HD2 TYR 75 87.054 11.251 -3.777 563 HE1 TYR 75 HE1 TYR 75 89.894 13.618 -7.082 564 HE2 TYR 75 HE2 TYR 75 89.458 11.647 -3.294 565 HH TYR 75 HH TYR 75 91.380 13.771 -5.166 566 H SER 76 HN SER 76 83.864 13.920 -7.783 567 HA SER 76 HA SER 76 81.080 13.896 -6.977 568 1HB SER 76 2HB SER 76 80.600 14.531 -9.251 569 2HB SER 76 3HB SER 76 82.049 15.394 -8.748 570 HG SER 76 HG SER 76 83.244 13.668 -9.765 571 H SER 77 HN SER 77 83.189 11.457 -8.367 572 HA SER 77 HA SER 77 80.743 9.768 -8.763 573 1HB SER 77 2HB SER 77 81.861 8.614 -10.554 574 2HB SER 77 3HB SER 77 82.040 10.339 -10.858 575 HG SER 77 HG SER 77 83.923 8.531 -9.754 576 H LEU 78 HN LEU 78 80.806 7.653 -7.987 577 HA LEU 78 HA LEU 78 82.331 7.138 -5.641 578 1HB LEU 78 2HB LEU 78 80.963 5.183 -7.519 579 2HB LEU 78 3HB LEU 78 81.491 4.814 -5.878 580 HG LEU 78 HG LEU 78 79.449 6.916 -6.647 581 1HD1 LEU 78 HD11 LEU 78 79.244 4.146 -5.455 582 2HD1 LEU 78 HD13 LEU 78 77.956 5.339 -5.287 583 3HD1 LEU 78 HD12 LEU 78 78.434 4.779 -6.889 584 1HD2 LEU 78 HD21 LEU 78 80.880 6.230 -4.122 585 2HD2 LEU 78 HD23 LEU 78 80.276 7.788 -4.684 586 3HD2 LEU 78 HD22 LEU 78 79.161 6.609 -3.997 587 H LYS 79 HN LYS 79 82.747 6.027 -8.998 588 HA LYS 79 HA LYS 79 85.000 4.345 -8.542 589 1HB LYS 79 2HB LYS 79 84.104 5.921 -10.969 590 2HB LYS 79 3HB LYS 79 85.483 4.819 -10.999 591 1HG LYS 79 2HG LYS 79 84.054 2.958 -10.306 592 2HG LYS 79 3HG LYS 79 82.669 4.041 -10.179 593 1HD LYS 79 2HD LYS 79 82.905 4.566 -12.608 594 2HD LYS 79 3HD LYS 79 84.200 3.373 -12.710 595 1HE LYS 79 2HE LYS 79 82.130 2.314 -13.411 596 2HE LYS 79 3HE LYS 79 82.597 1.647 -11.845 597 1HZ LYS 79 HZ3 LYS 79 80.792 3.970 -12.016 598 2HZ LYS 79 HZ2 LYS 79 80.185 2.392 -12.186 599 3HZ LYS 79 HZ1 LYS 79 80.973 2.855 -10.754 600 H GLU 80 HN GLU 80 84.815 7.822 -9.342 601 HA GLU 80 HA GLU 80 87.646 8.208 -9.530 602 1HB GLU 80 2HB GLU 80 85.933 9.868 -10.311 603 2HB GLU 80 3HB GLU 80 85.571 10.237 -8.621 604 1HG GLU 80 2HG GLU 80 87.882 10.929 -8.239 605 2HG GLU 80 3HG GLU 80 88.312 10.473 -9.889 606 H LEU 81 HN LEU 81 85.405 8.391 -6.766 607 HA LEU 81 HA LEU 81 87.296 9.395 -4.888 608 1HB LEU 81 2HB LEU 81 84.862 9.273 -4.440 609 2HB LEU 81 3HB LEU 81 84.974 7.518 -4.357 610 HG LEU 81 HG LEU 81 86.744 9.255 -2.644 611 1HD1 LEU 81 HD13 LEU 81 83.833 8.775 -2.398 612 2HD1 LEU 81 HD12 LEU 81 84.782 8.523 -0.931 613 3HD1 LEU 81 HD11 LEU 81 84.819 10.087 -1.747 614 1HD2 LEU 81 HD23 LEU 81 85.944 6.391 -2.815 615 2HD2 LEU 81 HD22 LEU 81 87.474 7.104 -2.308 616 3HD2 LEU 81 HD21 LEU 81 86.112 7.058 -1.193 617 H VAL 82 HN VAL 82 86.467 6.034 -5.754 618 HA VAL 82 HA VAL 82 88.263 4.817 -3.884 619 HB VAL 82 HB VAL 82 87.250 3.816 -6.564 620 1HG1 VAL 82 HG12 VAL 82 89.067 2.656 -4.517 621 2HG1 VAL 82 HG11 VAL 82 87.781 1.595 -5.092 622 3HG1 VAL 82 HG13 VAL 82 88.926 2.293 -6.237 623 1HG2 VAL 82 HG23 VAL 82 86.210 3.848 -3.771 624 2HG2 VAL 82 HG22 VAL 82 85.330 3.906 -5.298 625 3HG2 VAL 82 HG21 VAL 82 85.954 2.368 -4.695 626 H LEU 83 HN LEU 83 88.658 5.948 -7.215 627 HA LEU 83 HA LEU 83 91.278 4.910 -7.656 628 1HB LEU 83 2HB LEU 83 89.861 5.755 -9.475 629 2HB LEU 83 3HB LEU 83 89.969 7.387 -8.813 630 HG LEU 83 HG LEU 83 92.437 7.295 -9.076 631 1HD1 LEU 83 HD13 LEU 83 91.775 4.521 -9.755 632 2HD1 LEU 83 HD12 LEU 83 92.841 5.280 -10.936 633 3HD1 LEU 83 HD11 LEU 83 93.313 5.213 -9.239 634 1HD2 LEU 83 HD22 LEU 83 90.547 7.827 -10.977 635 2HD2 LEU 83 HD21 LEU 83 92.275 8.092 -11.201 636 3HD2 LEU 83 HD23 LEU 83 91.523 6.612 -11.802 637 H HIS 84 HN HIS 84 90.264 8.141 -6.480 638 HA HIS 84 HA HIS 84 92.955 9.121 -6.242 639 1HB HIS 84 2HB HIS 84 90.312 9.953 -5.075 640 2HB HIS 84 3HB HIS 84 91.808 10.759 -4.598 641 HD1 HIS 84 HD1 HIS 84 89.507 10.262 -7.513 642 HD2 HIS 84 HD2 HIS 84 93.049 12.285 -6.657 643 HE1 HIS 84 HE1 HIS 84 89.925 11.844 -9.454 644 H TYR 85 HN TYR 85 90.770 7.568 -3.931 645 HA TYR 85 HA TYR 85 92.400 7.915 -1.631 646 1HB TYR 85 2HB TYR 85 90.284 5.927 -2.420 647 2HB TYR 85 3HB TYR 85 91.151 5.749 -0.894 648 HD1 TYR 85 HD2 TYR 85 89.853 8.731 -2.799 649 HD2 TYR 85 HD1 TYR 85 89.845 6.499 0.873 650 HE1 TYR 85 HE2 TYR 85 88.384 10.440 -1.759 651 HE2 TYR 85 HE1 TYR 85 88.378 8.208 1.910 652 HH TYR 85 HH TYR 85 88.023 10.989 1.226 653 H GLN 86 HN GLN 86 92.629 5.595 -4.288 654 HA GLN 86 HA GLN 86 94.367 3.759 -2.897 655 1HB GLN 86 2HB GLN 86 94.820 2.775 -5.041 656 2HB GLN 86 3HB GLN 86 93.124 3.259 -5.051 657 1HG GLN 86 2HG GLN 86 93.519 4.505 -6.881 658 2HG GLN 86 3HG GLN 86 94.629 5.502 -5.942 659 1HE2 GLN 86 HE22 GLN 86 97.329 3.012 -6.947 660 2HE2 GLN 86 HE21 GLN 86 96.557 3.293 -5.462 661 H HIS 87 HN HIS 87 94.882 6.924 -4.075 662 HA HIS 87 HA HIS 87 97.829 6.482 -4.250 663 1HB HIS 87 2HB HIS 87 96.621 7.718 -6.102 664 2HB HIS 87 3HB HIS 87 96.277 8.996 -4.938 665 HD1 HIS 87 HD1 HIS 87 98.220 10.528 -4.227 666 HD2 HIS 87 HD2 HIS 87 99.400 7.480 -6.821 667 HE1 HIS 87 HE1 HIS 87 100.572 11.100 -4.984 668 H THR 88 HN THR 88 95.346 8.182 -2.394 669 HA THR 88 HA THR 88 97.378 9.638 -0.825 670 HB THR 88 HB THR 88 94.371 9.465 -0.490 671 HG1 THR 88 HG1 THR 88 94.465 11.517 -1.472 672 1HG2 THR 88 HG23 THR 88 96.511 11.144 0.826 673 2HG2 THR 88 HG22 THR 88 94.811 11.614 0.820 674 3HG2 THR 88 HG21 THR 88 95.307 10.115 1.606 675 H SER 89 HN SER 89 97.988 9.196 1.240 676 HA SER 89 HA SER 89 97.417 6.481 2.242 677 1HB SER 89 2HB SER 89 99.324 8.683 3.015 678 2HB SER 89 3HB SER 89 99.134 7.234 4.002 679 HG SER 89 HG SER 89 99.902 7.402 1.271 680 H LEU 90 HN LEU 90 95.849 6.142 3.727 681 HA LEU 90 HA LEU 90 94.219 8.234 4.751 682 1HB LEU 90 2HB LEU 90 94.595 5.371 5.645 683 2HB LEU 90 3HB LEU 90 93.361 6.438 6.318 684 HG LEU 90 HG LEU 90 93.606 6.115 3.338 685 1HD1 LEU 90 HD12 LEU 90 92.250 4.232 5.283 686 2HD1 LEU 90 HD11 LEU 90 91.860 4.292 3.563 687 3HD1 LEU 90 HD13 LEU 90 93.480 3.828 4.084 688 1HD2 LEU 90 HD21 LEU 90 92.051 7.725 4.846 689 2HD2 LEU 90 HD23 LEU 90 91.526 7.071 3.295 690 3HD2 LEU 90 HD22 LEU 90 91.022 6.294 4.795 691 H VAL 91 HN VAL 91 96.994 6.558 6.320 692 HA VAL 91 HA VAL 91 97.903 6.958 8.527 693 HB VAL 91 HB VAL 91 97.960 9.484 6.856 694 1HG1 VAL 91 HG12 VAL 91 98.594 9.208 9.740 695 2HG1 VAL 91 HG11 VAL 91 99.771 10.072 8.755 696 3HG1 VAL 91 HG13 VAL 91 98.101 10.633 8.828 697 1HG2 VAL 91 HG22 VAL 91 99.906 7.362 7.740 698 2HG2 VAL 91 HG21 VAL 91 99.516 7.883 6.101 699 3HG2 VAL 91 HG23 VAL 91 100.480 8.919 7.152 700 H GLN 92 HN GLN 92 96.343 10.141 8.102 701 HA GLN 92 HA GLN 92 94.885 11.347 9.466 702 1HB GLN 92 2HB GLN 92 93.779 8.566 9.500 703 2HB GLN 92 3HB GLN 92 93.060 9.782 10.553 704 1HG GLN 92 2HG GLN 92 92.546 11.214 8.693 705 2HG GLN 92 3HG GLN 92 93.498 10.222 7.588 706 1HE2 GLN 92 HE22 GLN 92 89.654 9.327 8.042 707 2HE2 GLN 92 HE21 GLN 92 90.343 10.827 8.436 708 H HIS 93 HN HIS 93 93.597 10.589 11.902 709 HA HIS 93 HA HIS 93 95.526 11.330 13.813 710 1HB HIS 93 2HB HIS 93 92.929 9.800 14.147 711 2HB HIS 93 3HB HIS 93 93.882 10.402 15.503 712 HD1 HIS 93 HD1 HIS 93 93.816 12.924 15.986 713 HD2 HIS 93 HD2 HIS 93 91.779 11.882 12.502 714 HE1 HIS 93 HE1 HIS 93 92.559 14.993 15.246 715 H ASN 94 HN ASN 94 94.394 8.063 12.934 716 HA ASN 94 HA ASN 94 96.332 6.833 14.765 717 1HB ASN 94 2HB ASN 94 94.487 5.694 12.645 718 2HB ASN 94 3HB ASN 94 95.572 4.700 13.617 719 1HD2 ASN 94 HD22 ASN 94 93.716 5.377 16.676 720 2HD2 ASN 94 HD21 ASN 94 95.314 5.209 16.129 721 H ASP 95 HN ASP 95 98.313 7.658 14.004 722 HA ASP 95 HA ASP 95 99.230 8.029 11.447 723 1HB ASP 95 2HB ASP 95 100.513 8.381 13.610 724 2HB ASP 95 3HB ASP 95 100.926 6.667 13.547 725 H SER 96 HN SER 96 98.120 5.045 12.627 726 HA SER 96 HA SER 96 99.874 3.517 10.840 727 1HB SER 96 2HB SER 96 98.768 1.503 11.744 728 2HB SER 96 3HB SER 96 99.305 2.557 13.052 729 HG SER 96 HG SER 96 97.253 3.171 13.417 730 H LEU 97 HN LEU 97 97.134 5.282 10.224 731 HA LEU 97 HA LEU 97 95.956 3.256 8.424 732 1HB LEU 97 2HB LEU 97 95.364 6.229 8.595 733 2HB LEU 97 3HB LEU 97 94.406 5.020 7.753 734 HG LEU 97 HG LEU 97 94.960 4.948 10.717 735 1HD1 LEU 97 HD12 LEU 97 93.061 6.512 9.166 736 2HD1 LEU 97 HD11 LEU 97 92.227 5.402 10.254 737 3HD1 LEU 97 HD13 LEU 97 93.387 6.563 10.898 738 1HD2 LEU 97 HD21 LEU 97 93.426 3.270 8.770 739 2HD2 LEU 97 HD23 LEU 97 94.404 2.770 10.149 740 3HD2 LEU 97 HD22 LEU 97 92.794 3.440 10.408 741 H ASN 98 HN ASN 98 98.764 4.024 8.202 742 HA ASN 98 HA ASN 98 99.054 5.763 5.896 743 1HB ASN 98 2HB ASN 98 101.405 5.160 5.994 744 2HB ASN 98 3HB ASN 98 100.839 5.406 7.644 745 1HD2 ASN 98 HD22 ASN 98 101.605 2.123 8.635 746 2HD2 ASN 98 HD21 ASN 98 101.178 3.700 9.093 747 H VAL 99 HN VAL 99 97.189 4.063 5.112 748 HA VAL 99 HA VAL 99 98.639 2.323 3.178 749 HB VAL 99 HB VAL 99 97.692 0.875 4.910 750 1HG1 VAL 99 HG13 VAL 99 95.110 2.302 4.216 751 2HG1 VAL 99 HG12 VAL 99 95.186 0.823 5.175 752 3HG1 VAL 99 HG11 VAL 99 95.935 2.302 5.775 753 1HG2 VAL 99 HG22 VAL 99 97.642 0.165 2.512 754 2HG2 VAL 99 HG21 VAL 99 96.358 -0.568 3.473 755 3HG2 VAL 99 HG23 VAL 99 95.996 0.787 2.403 756 H THR 100 HN THR 100 97.588 2.141 1.164 757 HA THR 100 HA THR 100 95.498 4.232 0.718 758 HB THR 100 HB THR 100 96.396 4.481 -1.533 759 HG1 THR 100 HG1 THR 100 96.973 2.374 -1.977 760 1HG2 THR 100 HG22 THR 100 98.331 4.517 0.758 761 2HG2 THR 100 HG21 THR 100 98.915 4.885 -0.865 762 3HG2 THR 100 HG23 THR 100 97.642 5.869 -0.140 763 H LEU 101 HN LEU 101 93.748 3.634 -0.715 764 HA LEU 101 HA LEU 101 93.012 0.832 -0.552 765 1HB LEU 101 2HB LEU 101 91.771 2.984 -2.302 766 2HB LEU 101 3HB LEU 101 91.000 1.504 -1.724 767 HG LEU 101 HG LEU 101 91.926 3.842 -0.032 768 1HD1 LEU 101 HD12 LEU 101 89.700 3.888 -1.365 769 2HD1 LEU 101 HD11 LEU 101 89.151 2.678 -0.206 770 3HD1 LEU 101 HD13 LEU 101 89.644 4.278 0.353 771 1HD2 LEU 101 HD21 LEU 101 91.176 1.031 0.624 772 2HD2 LEU 101 HD23 LEU 101 92.327 2.096 1.429 773 3HD2 LEU 101 HD22 LEU 101 90.597 2.298 1.701 774 H ALA 102 HN ALA 102 95.221 0.290 -1.661 775 HA ALA 102 HA ALA 102 95.044 0.594 -4.611 776 1HB ALA 102 HB3 ALA 102 97.316 -0.244 -2.802 777 2HB ALA 102 HB2 ALA 102 97.420 -0.213 -4.563 778 3HB ALA 102 HB1 ALA 102 97.147 1.283 -3.668 779 H TYR 103 HN TYR 103 94.844 -1.950 -2.154 780 HA TYR 103 HA TYR 103 94.811 -3.911 -4.412 781 1HB TYR 103 2HB TYR 103 95.477 -4.362 -1.496 782 2HB TYR 103 3HB TYR 103 95.425 -5.617 -2.735 783 HD1 TYR 103 HD2 TYR 103 97.206 -2.612 -1.549 784 HD2 TYR 103 HD1 TYR 103 97.148 -5.777 -4.452 785 HE1 TYR 103 HE2 TYR 103 99.520 -2.036 -2.218 786 HE2 TYR 103 HE1 TYR 103 99.468 -5.199 -5.125 787 HH TYR 103 HH TYR 103 101.141 -2.396 -3.709 788 HA PRO 104 HA PRO 104 90.366 -3.991 -3.276 789 1HB PRO 104 2HB PRO 104 90.437 -5.943 -5.517 790 2HB PRO 104 3HB PRO 104 89.390 -4.541 -5.271 791 1HG PRO 104 2HG PRO 104 91.348 -4.531 -7.084 792 2HG PRO 104 3HG PRO 104 90.909 -3.076 -6.174 793 1HD PRO 104 2HD PRO 104 93.277 -4.866 -5.823 794 2HD PRO 104 3HD PRO 104 93.134 -3.113 -5.568 795 H VAL 105 HN VAL 105 89.040 -5.842 -2.488 796 HA VAL 105 HA VAL 105 90.708 -7.941 -1.318 797 HB VAL 105 HB VAL 105 88.807 -6.958 -0.083 798 1HG1 VAL 105 HG12 VAL 105 87.197 -8.305 -2.270 799 2HG1 VAL 105 HG11 VAL 105 86.497 -7.660 -0.788 800 3HG1 VAL 105 HG13 VAL 105 87.274 -6.575 -1.944 801 1HG2 VAL 105 HG21 VAL 105 89.638 -9.382 0.193 802 2HG2 VAL 105 HG23 VAL 105 88.062 -8.983 0.873 803 3HG2 VAL 105 HG22 VAL 105 88.169 -9.850 -0.661 804 H TYR 106 HN TYR 106 88.561 -7.536 -4.043 805 HA TYR 106 HA TYR 106 88.960 -10.413 -4.740 806 1HB TYR 106 2HB TYR 106 86.775 -8.477 -5.530 807 2HB TYR 106 3HB TYR 106 87.015 -10.028 -6.332 808 HD1 TYR 106 HD1 TYR 106 87.301 -12.087 -4.655 809 HD2 TYR 106 HD2 TYR 106 85.311 -8.397 -3.727 810 HE1 TYR 106 HE1 TYR 106 86.058 -13.215 -2.832 811 HE2 TYR 106 HE2 TYR 106 84.072 -9.527 -1.904 812 HH TYR 106 HH TYR 106 84.000 -12.925 -1.564 813 H ALA 107 HN ALA 107 90.863 -8.178 -5.171 814 HA ALA 107 HA ALA 107 90.821 -7.255 -7.859 815 1HB ALA 107 HB2 ALA 107 92.543 -6.972 -5.717 816 2HB ALA 107 HB1 ALA 107 93.501 -7.929 -6.847 817 3HB ALA 107 HB3 ALA 107 92.848 -6.369 -7.346 818 H GLN 108 HN GLN 108 91.528 -8.189 -9.781 819 HA GLN 108 HA GLN 108 92.040 -9.929 -11.265 820 1HB GLN 108 2HB GLN 108 93.665 -10.872 -8.885 821 2HB GLN 108 3HB GLN 108 93.787 -11.535 -10.512 822 1HG GLN 108 2HG GLN 108 94.478 -9.363 -11.386 823 2HG GLN 108 3HG GLN 108 94.277 -8.634 -9.793 824 1HE2 GLN 108 HE22 GLN 108 97.196 -10.303 -8.432 825 2HE2 GLN 108 HE21 GLN 108 95.629 -9.827 -7.989 826 H GLN 109 HN GLN 109 89.579 -10.261 -10.325 827 HA GLN 109 HA GLN 109 89.313 -12.894 -9.022 828 1HB GLN 109 2HB GLN 109 87.763 -11.029 -8.464 829 2HB GLN 109 3HB GLN 109 87.186 -11.036 -10.129 830 1HG GLN 109 2HG GLN 109 86.420 -13.359 -9.875 831 2HG GLN 109 3HG GLN 109 87.029 -13.388 -8.218 832 1HE2 GLN 109 HE22 GLN 109 83.731 -12.403 -7.313 833 2HE2 GLN 109 HE21 GLN 109 84.863 -13.668 -7.310 834 H ARG 110 HN ARG 110 88.766 -14.768 -10.121 835 HA ARG 110 HA ARG 110 88.550 -14.513 -13.087 836 1HB ARG 110 2HB ARG 110 90.511 -15.792 -12.244 837 2HB ARG 110 3HB ARG 110 89.414 -16.912 -11.438 838 1HG ARG 110 2HG ARG 110 88.365 -17.390 -13.667 839 2HG ARG 110 3HG ARG 110 89.612 -16.393 -14.416 840 1HD ARG 110 2HD ARG 110 90.223 -18.773 -12.647 841 2HD ARG 110 3HD ARG 110 90.133 -18.864 -14.405 842 HE ARG 110 HE ARG 110 91.907 -16.779 -13.900 843 1HH1 ARG 110 HH21 ARG 110 91.593 -20.112 -13.079 844 2HH1 ARG 110 HH22 ARG 110 93.298 -20.364 -12.903 845 1HH2 ARG 110 HH11 ARG 110 94.135 -17.088 -13.677 846 2HH2 ARG 110 HH12 ARG 110 94.736 -18.651 -13.241 847 H ARG 111 HN ARG 111 86.651 -15.104 -13.998 848 HA ARG 111 HA ARG 111 84.392 -15.758 -14.082 849 1HB ARG 111 2HB ARG 111 85.457 -17.943 -14.358 850 2HB ARG 111 3HB ARG 111 85.612 -18.114 -12.608 851 1HG ARG 111 2HG ARG 111 83.178 -18.055 -12.366 852 2HG ARG 111 3HG ARG 111 82.989 -17.841 -14.106 853 1HD ARG 111 2HD ARG 111 84.458 -20.035 -14.211 854 2HD ARG 111 3HD ARG 111 83.855 -20.276 -12.574 855 HE ARG 111 HE ARG 111 82.395 -20.821 -14.939 856 1HH1 ARG 111 HH21 ARG 111 82.028 -19.044 -12.006 857 2HH1 ARG 111 HH22 ARG 111 80.302 -19.002 -12.093 858 1HH2 ARG 111 HH11 ARG 111 80.145 -20.799 -15.053 859 2HH2 ARG 111 HH12 ARG 111 79.234 -20.008 -13.811 No H/Q in entry = 859 Start of MODEL 18 1 1H GLU 1 HT1 GLU 1 95.752 -0.486 -18.161 2 2H GLU 1 HT3 GLU 1 96.448 -0.869 -19.659 3 3H GLU 1 HT2 GLU 1 95.045 0.087 -19.596 4 HA GLU 1 HA GLU 1 94.430 -2.117 -20.261 5 1HB GLU 1 2HB GLU 1 94.883 -4.020 -18.750 6 2HB GLU 1 3HB GLU 1 96.384 -3.279 -19.305 7 1HG GLU 1 2HG GLU 1 96.469 -1.953 -17.194 8 2HG GLU 1 3HG GLU 1 95.024 -2.800 -16.637 9 H ASP 2 HN ASP 2 93.076 -3.704 -18.369 10 HA ASP 2 HA ASP 2 90.989 -1.818 -17.522 11 1HB ASP 2 2HB ASP 2 90.482 -4.073 -18.514 12 2HB ASP 2 3HB ASP 2 91.158 -4.814 -17.064 13 H LEU 3 HN LEU 3 90.938 -0.917 -15.487 14 HA LEU 3 HA LEU 3 92.771 -2.077 -13.464 15 1HB LEU 3 2HB LEU 3 92.741 0.427 -14.099 16 2HB LEU 3 3HB LEU 3 91.235 0.502 -13.184 17 HG LEU 3 HG LEU 3 92.487 -0.551 -11.242 18 1HD1 LEU 3 HD11 LEU 3 94.620 -0.404 -13.280 19 2HD1 LEU 3 HD13 LEU 3 95.083 0.239 -11.706 20 3HD1 LEU 3 HD12 LEU 3 94.513 -1.421 -11.844 21 1HD2 LEU 3 HD21 LEU 3 93.332 2.142 -12.340 22 2HD2 LEU 3 HD23 LEU 3 92.026 1.819 -11.201 23 3HD2 LEU 3 HD22 LEU 3 93.707 1.600 -10.706 24 HA PRO 4 HA PRO 4 89.306 -4.161 -11.514 25 1HB PRO 4 2HB PRO 4 90.893 -3.532 -9.059 26 2HB PRO 4 3HB PRO 4 90.184 -5.074 -9.576 27 1HG PRO 4 2HG PRO 4 92.786 -4.604 -9.804 28 2HG PRO 4 3HG PRO 4 91.900 -5.531 -11.026 29 1HD PRO 4 2HD PRO 4 92.970 -2.763 -11.182 30 2HD PRO 4 3HD PRO 4 92.701 -3.952 -12.476 31 H HIS 5 HN HIS 5 90.434 -0.965 -10.657 32 HA HIS 5 HA HIS 5 88.439 -0.422 -8.662 33 1HB HIS 5 2HB HIS 5 89.974 1.462 -10.475 34 2HB HIS 5 3HB HIS 5 88.961 1.981 -9.128 35 HD1 HIS 5 HD1 HIS 5 89.829 -0.510 -7.283 36 HD2 HIS 5 HD2 HIS 5 92.376 2.231 -9.114 37 HE1 HIS 5 HE1 HIS 5 92.000 -0.566 -5.984 38 H HIS 6 HN HIS 6 88.361 -0.444 -12.155 39 HA HIS 6 HA HIS 6 86.061 1.209 -12.545 40 1HB HIS 6 2HB HIS 6 87.205 -1.068 -14.173 41 2HB HIS 6 3HB HIS 6 85.801 -0.131 -14.692 42 HD1 HIS 6 HD1 HIS 6 86.400 2.667 -14.233 43 HD2 HIS 6 HD2 HIS 6 89.448 0.047 -15.339 44 HE1 HIS 6 HE1 HIS 6 88.258 4.096 -15.188 45 H ASP 7 HN ASP 7 86.336 -2.273 -11.860 46 HA ASP 7 HA ASP 7 83.398 -2.514 -11.959 47 1HB ASP 7 2HB ASP 7 85.591 -4.546 -11.491 48 2HB ASP 7 3HB ASP 7 83.870 -4.936 -11.495 49 H GLU 8 HN GLU 8 82.141 -2.427 -10.149 50 HA GLU 8 HA GLU 8 83.248 -1.794 -7.570 51 1HB GLU 8 2HB GLU 8 80.473 -2.614 -8.443 52 2HB GLU 8 3HB GLU 8 80.867 -2.200 -6.774 53 1HG GLU 8 2HG GLU 8 81.518 0.026 -7.390 54 2HG GLU 8 3HG GLU 8 81.440 -0.363 -9.112 55 H LYS 9 HN LYS 9 82.390 -4.795 -9.096 56 HA LYS 9 HA LYS 9 82.051 -6.438 -6.807 57 1HB LYS 9 2HB LYS 9 82.430 -8.271 -8.291 58 2HB LYS 9 3HB LYS 9 81.644 -7.013 -9.248 59 1HG LYS 9 2HG LYS 9 84.192 -6.272 -9.653 60 2HG LYS 9 3HG LYS 9 84.468 -7.987 -9.356 61 1HD LYS 9 2HD LYS 9 82.980 -8.606 -11.151 62 2HD LYS 9 3HD LYS 9 82.450 -6.937 -11.354 63 1HE LYS 9 2HE LYS 9 84.052 -6.847 -12.966 64 2HE LYS 9 3HE LYS 9 85.172 -6.680 -11.613 65 1HZ LYS 9 HZ1 LYS 9 84.912 -9.308 -11.676 66 2HZ LYS 9 HZ3 LYS 9 84.640 -8.978 -13.317 67 3HZ LYS 9 HZ2 LYS 9 86.088 -8.480 -12.582 68 H THR 10 HN THR 10 84.993 -5.404 -8.466 69 HA THR 10 HA THR 10 86.795 -7.198 -7.210 70 HB THR 10 HB THR 10 88.452 -5.233 -7.656 71 HG1 THR 10 HG1 THR 10 87.631 -3.575 -8.799 72 1HG2 THR 10 HG22 THR 10 86.792 -6.668 -9.739 73 2HG2 THR 10 HG21 THR 10 88.183 -5.678 -10.175 74 3HG2 THR 10 HG23 THR 10 88.397 -7.095 -9.146 75 H TRP 11 HN TRP 11 85.392 -4.166 -6.068 76 HA TRP 11 HA TRP 11 86.789 -4.639 -3.464 77 1HB TRP 11 2HB TRP 11 86.168 -2.013 -3.326 78 2HB TRP 11 3HB TRP 11 87.704 -2.607 -3.966 79 HD1 TRP 11 HD1 TRP 11 87.600 -3.166 -6.728 80 HE1 TRP 11 HE1 TRP 11 86.549 -1.728 -8.581 81 HE3 TRP 11 HE3 TRP 11 84.441 -0.338 -3.916 82 HZ2 TRP 11 HZ2 TRP 11 84.618 0.389 -8.827 83 HZ3 TRP 11 HZ3 TRP 11 83.007 1.386 -4.970 84 HH2 TRP 11 HH2 TRP 11 83.090 1.752 -7.424 85 H ASN 12 HN ASN 12 83.725 -4.092 -5.059 86 HA ASN 12 HA ASN 12 82.395 -3.491 -2.485 87 1HB ASN 12 2HB ASN 12 81.717 -2.338 -4.621 88 2HB ASN 12 3HB ASN 12 81.115 -3.892 -5.200 89 1HD2 ASN 12 HD22 ASN 12 78.017 -3.061 -3.717 90 2HD2 ASN 12 HD21 ASN 12 78.854 -3.430 -5.148 91 H VAL 13 HN VAL 13 81.747 -5.123 -1.198 92 HA VAL 13 HA VAL 13 81.329 -7.802 -2.420 93 HB VAL 13 HB VAL 13 82.840 -7.480 -0.398 94 1HG1 VAL 13 HG11 VAL 13 80.805 -5.922 0.519 95 2HG1 VAL 13 HG13 VAL 13 80.454 -7.434 1.355 96 3HG1 VAL 13 HG12 VAL 13 82.023 -6.653 1.564 97 1HG2 VAL 13 HG22 VAL 13 81.151 -9.553 -1.074 98 2HG2 VAL 13 HG21 VAL 13 82.379 -9.631 0.188 99 3HG2 VAL 13 HG23 VAL 13 80.709 -9.253 0.606 100 H GLY 14 HN GLY 14 79.537 -5.109 -1.574 101 1HA GLY 14 2HA GLY 14 77.198 -4.830 -1.522 102 2HA GLY 14 3HA GLY 14 77.032 -6.559 -1.826 103 H SER 15 HN SER 15 75.525 -7.051 -0.193 104 HA SER 15 HA SER 15 75.999 -6.085 2.540 105 1HB SER 15 2HB SER 15 73.945 -8.018 1.422 106 2HB SER 15 3HB SER 15 74.013 -7.510 3.107 107 HG SER 15 HG SER 15 73.553 -5.933 0.798 108 H SER 16 HN SER 16 77.373 -7.100 3.906 109 HA SER 16 HA SER 16 77.648 -10.060 3.713 110 1HB SER 16 2HB SER 16 79.525 -9.118 2.438 111 2HB SER 16 3HB SER 16 79.947 -8.085 3.800 112 HG SER 16 HG SER 16 79.932 -10.925 3.726 113 H ASN 17 HN ASN 17 78.200 -11.050 5.718 114 HA ASN 17 HA ASN 17 77.533 -9.479 8.075 115 1HB ASN 17 2HB ASN 17 77.009 -11.935 7.800 116 2HB ASN 17 3HB ASN 17 78.731 -12.263 7.980 117 1HD2 ASN 17 HD22 ASN 17 77.888 -10.329 11.348 118 2HD2 ASN 17 HD21 ASN 17 78.217 -9.578 9.862 119 H ARG 18 HN ARG 18 78.936 -8.513 9.475 120 HA ARG 18 HA ARG 18 81.604 -7.935 8.690 121 1HB ARG 18 2HB ARG 18 80.091 -7.635 11.279 122 2HB ARG 18 3HB ARG 18 81.799 -7.197 11.172 123 1HG ARG 18 2HG ARG 18 81.398 -5.474 9.646 124 2HG ARG 18 3HG ARG 18 79.899 -6.202 9.074 125 1HD ARG 18 2HD ARG 18 79.645 -4.124 10.539 126 2HD ARG 18 3HD ARG 18 78.701 -5.531 11.011 127 HE ARG 18 HE ARG 18 81.077 -5.754 12.464 128 1HH1 ARG 18 HH21 ARG 18 78.642 -3.380 11.948 129 2HH1 ARG 18 HH22 ARG 18 78.759 -2.706 13.539 130 1HH2 ARG 18 HH11 ARG 18 81.228 -4.910 14.580 131 2HH2 ARG 18 HH12 ARG 18 80.209 -3.586 15.036 132 H ASN 19 HN ASN 19 80.309 -10.528 10.728 133 HA ASN 19 HA ASN 19 82.800 -11.360 11.851 134 1HB ASN 19 2HB ASN 19 81.748 -13.456 12.319 135 2HB ASN 19 3HB ASN 19 80.460 -12.254 12.426 136 1HD2 ASN 19 HD22 ASN 19 79.771 -15.241 10.014 137 2HD2 ASN 19 HD21 ASN 19 80.691 -15.269 11.441 138 H LYS 20 HN LYS 20 81.162 -12.290 8.803 139 HA LYS 20 HA LYS 20 83.229 -14.074 7.913 140 1HB LYS 20 2HB LYS 20 80.923 -13.979 6.935 141 2HB LYS 20 3HB LYS 20 81.341 -12.431 6.197 142 1HG LYS 20 2HG LYS 20 83.164 -13.489 4.945 143 2HG LYS 20 3HG LYS 20 82.825 -15.034 5.728 144 1HD LYS 20 2HD LYS 20 81.042 -15.459 4.396 145 2HD LYS 20 3HD LYS 20 80.470 -13.793 4.479 146 1HE LYS 20 2HE LYS 20 82.145 -13.110 2.826 147 2HE LYS 20 3HE LYS 20 82.781 -14.754 2.766 148 1HZ LYS 20 HZ3 LYS 20 80.000 -13.970 2.076 149 2HZ LYS 20 HZ2 LYS 20 81.230 -14.298 0.951 150 3HZ LYS 20 HZ1 LYS 20 80.652 -15.531 1.967 151 H ALA 21 HN ALA 21 82.678 -10.600 7.468 152 HA ALA 21 HA ALA 21 84.790 -10.095 5.630 153 1HB ALA 21 HB1 ALA 21 82.870 -8.561 6.682 154 2HB ALA 21 HB3 ALA 21 84.185 -8.092 7.762 155 3HB ALA 21 HB2 ALA 21 84.347 -7.860 6.022 156 H GLU 22 HN GLU 22 84.780 -10.372 9.174 157 HA GLU 22 HA GLU 22 87.423 -9.454 9.676 158 1HB GLU 22 2HB GLU 22 85.786 -11.604 11.068 159 2HB GLU 22 3HB GLU 22 87.337 -11.021 11.668 160 1HG GLU 22 2HG GLU 22 86.470 -8.765 11.891 161 2HG GLU 22 3HG GLU 22 84.948 -9.236 11.131 162 H ASN 23 HN ASN 23 86.172 -12.619 8.670 163 HA ASN 23 HA ASN 23 88.638 -14.047 8.722 164 1HB ASN 23 2HB ASN 23 86.173 -14.328 6.987 165 2HB ASN 23 3HB ASN 23 87.538 -15.434 6.883 166 1HD2 ASN 23 HD22 ASN 23 85.002 -16.716 9.387 167 2HD2 ASN 23 HD21 ASN 23 84.855 -16.207 7.775 168 H LEU 24 HN LEU 24 87.052 -12.125 6.198 169 HA LEU 24 HA LEU 24 89.085 -12.471 4.204 170 1HB LEU 24 2HB LEU 24 86.986 -10.338 4.654 171 2HB LEU 24 3HB LEU 24 88.013 -10.400 3.218 172 HG LEU 24 HG LEU 24 86.267 -12.690 4.161 173 1HD1 LEU 24 HD13 LEU 24 85.638 -10.290 2.620 174 2HD1 LEU 24 HD12 LEU 24 85.295 -11.770 1.723 175 3HD1 LEU 24 HD11 LEU 24 84.554 -11.502 3.300 176 1HD2 LEU 24 HD23 LEU 24 88.269 -12.294 2.015 177 2HD2 LEU 24 HD22 LEU 24 87.729 -13.783 2.794 178 3HD2 LEU 24 HD21 LEU 24 86.766 -13.064 1.503 179 H LEU 25 HN LEU 25 88.677 -10.238 6.908 180 HA LEU 25 HA LEU 25 91.022 -8.651 6.026 181 1HB LEU 25 2HB LEU 25 89.241 -8.439 8.469 182 2HB LEU 25 3HB LEU 25 90.549 -7.326 8.077 183 HG LEU 25 HG LEU 25 88.500 -7.866 5.970 184 1HD1 LEU 25 HD13 LEU 25 87.305 -7.454 8.198 185 2HD1 LEU 25 HD12 LEU 25 88.013 -5.839 8.159 186 3HD1 LEU 25 HD11 LEU 25 86.906 -6.351 6.884 187 1HD2 LEU 25 HD23 LEU 25 90.342 -5.636 6.807 188 2HD2 LEU 25 HD22 LEU 25 90.126 -6.384 5.224 189 3HD2 LEU 25 HD21 LEU 25 88.916 -5.265 5.838 190 H ARG 26 HN ARG 26 90.511 -11.494 7.659 191 HA ARG 26 HA ARG 26 92.691 -11.114 9.593 192 1HB ARG 26 2HB ARG 26 91.192 -12.455 10.686 193 2HB ARG 26 3HB ARG 26 90.427 -12.963 9.185 194 1HG ARG 26 2HG ARG 26 91.449 -14.882 10.236 195 2HG ARG 26 3HG ARG 26 92.343 -14.490 8.772 196 1HD ARG 26 2HD ARG 26 93.921 -13.138 10.262 197 2HD ARG 26 3HD ARG 26 93.115 -13.883 11.637 198 HE ARG 26 HE ARG 26 93.851 -16.016 9.997 199 1HH1 ARG 26 HH21 ARG 26 95.344 -13.323 11.525 200 2HH1 ARG 26 HH22 ARG 26 96.878 -14.104 11.718 201 1HH2 ARG 26 HH11 ARG 26 95.857 -17.060 10.216 202 2HH2 ARG 26 HH12 ARG 26 97.171 -16.220 10.967 203 H GLY 27 HN GLY 27 94.750 -11.631 9.072 204 1HA GLY 27 2HA GLY 27 96.564 -12.659 7.990 205 2HA GLY 27 3HA GLY 27 95.439 -13.876 7.384 206 H LYS 28 HN LYS 28 94.801 -10.492 6.800 207 HA LYS 28 HA LYS 28 95.409 -10.974 3.921 208 1HB LYS 28 2HB LYS 28 93.027 -10.324 4.740 209 2HB LYS 28 3HB LYS 28 93.707 -8.719 4.988 210 1HG LYS 28 2HG LYS 28 92.830 -8.604 2.799 211 2HG LYS 28 3HG LYS 28 94.544 -8.919 2.532 212 1HD LYS 28 2HD LYS 28 94.043 -11.344 2.302 213 2HD LYS 28 3HD LYS 28 92.331 -10.997 2.531 214 1HE LYS 28 2HE LYS 28 92.265 -9.672 0.516 215 2HE LYS 28 3HE LYS 28 94.017 -9.785 0.326 216 1HZ LYS 28 HZ1 LYS 28 93.100 -12.369 0.576 217 2HZ LYS 28 HZ3 LYS 28 92.009 -11.610 -0.477 218 3HZ LYS 28 HZ2 LYS 28 93.669 -11.616 -0.837 219 H ARG 29 HN ARG 29 96.813 -9.589 2.864 220 HA ARG 29 HA ARG 29 98.700 -8.107 4.471 221 1HB ARG 29 2HB ARG 29 98.321 -8.205 1.465 222 2HB ARG 29 3HB ARG 29 99.694 -7.455 2.280 223 1HG ARG 29 2HG ARG 29 100.057 -9.725 3.425 224 2HG ARG 29 3HG ARG 29 98.928 -10.379 2.237 225 1HD ARG 29 2HD ARG 29 100.342 -9.583 0.406 226 2HD ARG 29 3HD ARG 29 101.447 -8.835 1.559 227 HE ARG 29 HE ARG 29 101.385 -11.499 2.334 228 1HH1 ARG 29 HH21 ARG 29 101.914 -9.770 -0.598 229 2HH1 ARG 29 HH22 ARG 29 103.050 -10.913 -1.231 230 1HH2 ARG 29 HH11 ARG 29 102.848 -13.031 1.515 231 2HH2 ARG 29 HH12 ARG 29 103.577 -12.765 -0.035 232 H ASP 30 HN ASP 30 99.085 -5.881 4.523 233 HA ASP 30 HA ASP 30 96.854 -4.130 4.676 234 1HB ASP 30 2HB ASP 30 99.094 -3.818 5.771 235 2HB ASP 30 3HB ASP 30 99.749 -3.371 4.195 236 H GLY 31 HN GLY 31 96.033 -2.604 3.240 237 1HA GLY 31 2HA GLY 31 96.169 -1.291 1.179 238 2HA GLY 31 3HA GLY 31 97.205 -2.547 0.500 239 H THR 32 HN THR 32 95.366 -4.653 1.689 240 HA THR 32 HA THR 32 93.568 -4.733 -0.620 241 HB THR 32 HB THR 32 93.766 -6.624 1.737 242 HG1 THR 32 HG1 THR 32 95.420 -7.405 0.731 243 1HG2 THR 32 HG21 THR 32 91.955 -6.408 -0.518 244 2HG2 THR 32 HG23 THR 32 92.854 -7.923 -0.581 245 3HG2 THR 32 HG22 THR 32 91.901 -7.521 0.848 246 H PHE 33 HN PHE 33 91.490 -3.895 -0.589 247 HA PHE 33 HA PHE 33 90.153 -3.822 2.060 248 1HB PHE 33 2HB PHE 33 89.821 -1.569 2.116 249 2HB PHE 33 3HB PHE 33 91.314 -1.576 1.186 250 HD1 PHE 33 HD1 PHE 33 91.028 -1.683 -1.446 251 HD2 PHE 33 HD2 PHE 33 87.921 -0.570 1.298 252 HE1 PHE 33 HE1 PHE 33 89.812 -0.516 -3.274 253 HE2 PHE 33 HE2 PHE 33 86.730 0.595 -0.535 254 HZ PHE 33 HZ PHE 33 87.660 0.616 -2.800 255 H LEU 34 HN LEU 34 87.832 -3.309 1.916 256 HA LEU 34 HA LEU 34 86.613 -4.008 -0.713 257 1HB LEU 34 2HB LEU 34 85.050 -5.562 0.375 258 2HB LEU 34 3HB LEU 34 86.707 -6.091 0.628 259 HG LEU 34 HG LEU 34 85.485 -4.294 2.688 260 1HD1 LEU 34 HD11 LEU 34 84.578 -7.057 2.044 261 2HD1 LEU 34 HD13 LEU 34 84.866 -6.699 3.747 262 3HD1 LEU 34 HD12 LEU 34 83.706 -5.742 2.829 263 1HD2 LEU 34 HD23 LEU 34 87.480 -6.570 2.626 264 2HD2 LEU 34 HD22 LEU 34 87.772 -4.881 3.045 265 3HD2 LEU 34 HD21 LEU 34 86.851 -5.915 4.138 266 H VAL 35 HN VAL 35 84.347 -3.318 -0.871 267 HA VAL 35 HA VAL 35 83.727 -1.096 1.018 268 HB VAL 35 HB VAL 35 82.995 -1.484 -1.900 269 1HG1 VAL 35 HG11 VAL 35 81.553 -0.087 0.181 270 2HG1 VAL 35 HG13 VAL 35 82.203 1.074 -0.974 271 3HG1 VAL 35 HG12 VAL 35 81.157 -0.233 -1.531 272 1HG2 VAL 35 HG21 VAL 35 84.584 0.586 -0.365 273 2HG2 VAL 35 HG23 VAL 35 85.213 -0.570 -1.544 274 3HG2 VAL 35 HG22 VAL 35 84.149 0.737 -2.064 275 H ARG 36 HN ARG 36 81.847 -1.143 2.152 276 HA ARG 36 HA ARG 36 79.800 -3.208 1.431 277 1HB ARG 36 2HB ARG 36 80.904 -2.537 4.169 278 2HB ARG 36 3HB ARG 36 79.419 -3.459 3.918 279 1HG ARG 36 2HG ARG 36 80.704 -5.072 2.536 280 2HG ARG 36 3HG ARG 36 82.176 -4.187 2.928 281 1HD ARG 36 2HD ARG 36 80.345 -5.596 4.877 282 2HD ARG 36 3HD ARG 36 81.988 -6.061 4.453 283 HE ARG 36 HE ARG 36 82.129 -3.406 5.397 284 1HH1 ARG 36 HH21 ARG 36 81.221 -6.544 6.452 285 2HH1 ARG 36 HH22 ARG 36 81.502 -6.219 8.130 286 1HH2 ARG 36 HH11 ARG 36 82.491 -2.929 7.584 287 2HH2 ARG 36 HH12 ARG 36 82.186 -4.146 8.779 288 H GLU 37 HN GLU 37 77.758 -2.671 2.976 289 HA GLU 37 HA GLU 37 77.260 0.217 2.536 290 1HB GLU 37 2HB GLU 37 74.842 -0.482 2.709 291 2HB GLU 37 3HB GLU 37 75.702 -1.215 1.355 292 1HG GLU 37 2HG GLU 37 75.896 -3.302 2.473 293 2HG GLU 37 3HG GLU 37 75.486 -2.593 4.035 294 H SER 38 HN SER 38 75.582 1.083 4.245 295 HA SER 38 HA SER 38 76.752 0.568 6.891 296 1HB SER 38 2HB SER 38 74.361 2.280 6.104 297 2HB SER 38 3HB SER 38 75.152 2.279 7.680 298 HG SER 38 HG SER 38 76.611 3.550 6.880 299 H SER 39 HN SER 39 75.217 -1.316 5.122 300 HA SER 39 HA SER 39 73.819 -3.119 5.359 301 1HB SER 39 2HB SER 39 75.120 -3.440 7.453 302 2HB SER 39 3HB SER 39 73.984 -2.404 8.310 303 HG SER 39 HG SER 39 73.454 -4.598 8.565 304 H LYS 40 HN LYS 40 71.563 -3.468 5.323 305 HA LYS 40 HA LYS 40 69.296 -2.865 5.308 306 1HB LYS 40 2HB LYS 40 70.138 -1.246 7.735 307 2HB LYS 40 3HB LYS 40 68.481 -1.649 7.293 308 1HG LYS 40 2HG LYS 40 69.094 -4.076 7.428 309 2HG LYS 40 3HG LYS 40 70.681 -3.595 8.036 310 1HD LYS 40 2HD LYS 40 69.704 -2.542 9.971 311 2HD LYS 40 3HD LYS 40 68.076 -2.746 9.324 312 1HE LYS 40 2HE LYS 40 68.116 -4.586 10.691 313 2HE LYS 40 3HE LYS 40 68.863 -5.313 9.269 314 1HZ LYS 40 HZ3 LYS 40 71.041 -4.510 10.280 315 2HZ LYS 40 HZ2 LYS 40 70.168 -4.306 11.722 316 3HZ LYS 40 HZ1 LYS 40 70.287 -5.843 11.012 317 H GLN 41 HN GLN 41 71.217 -1.318 3.754 318 HA GLN 41 HA GLN 41 71.287 0.656 2.495 319 1HB GLN 41 2HB GLN 41 68.916 0.034 2.048 320 2HB GLN 41 3HB GLN 41 68.424 0.953 3.471 321 1HG GLN 41 2HG GLN 41 69.349 3.004 2.480 322 2HG GLN 41 3HG GLN 41 69.883 2.094 1.068 323 1HE2 GLN 41 HE22 GLN 41 66.539 3.655 0.337 324 2HE2 GLN 41 HE21 GLN 41 68.054 4.264 0.800 325 H GLY 42 HN GLY 42 71.725 2.890 2.783 326 1HA GLY 42 2HA GLY 42 71.031 4.737 4.621 327 2HA GLY 42 3HA GLY 42 72.068 3.698 5.601 328 H CYS 43 HN CYS 43 74.284 3.177 4.389 329 HA CYS 43 HA CYS 43 75.175 5.331 2.609 330 1HB CYS 43 2HB CYS 43 76.367 5.091 5.389 331 2HB CYS 43 3HB CYS 43 76.971 6.130 4.107 332 HG CYS 43 HG CYS 43 74.739 7.504 4.241 333 H TYR 44 HN TYR 44 77.866 5.033 2.665 334 HA TYR 44 HA TYR 44 78.232 2.098 2.217 335 1HB TYR 44 2HB TYR 44 79.546 4.425 0.779 336 2HB TYR 44 3HB TYR 44 79.831 2.717 0.440 337 HD1 TYR 44 HD2 TYR 44 77.413 5.488 0.202 338 HD2 TYR 44 HD1 TYR 44 78.134 1.338 -0.645 339 HE1 TYR 44 HE2 TYR 44 75.434 5.451 -1.293 340 HE2 TYR 44 HE1 TYR 44 76.154 1.299 -2.139 341 HH TYR 44 HH TYR 44 74.206 4.235 -2.695 342 H ALA 45 HN ALA 45 80.444 1.297 2.618 343 HA ALA 45 HA ALA 45 82.177 3.033 4.275 344 1HB ALA 45 HB1 ALA 45 80.880 0.472 5.226 345 2HB ALA 45 HB3 ALA 45 82.318 1.147 5.990 346 3HB ALA 45 HB2 ALA 45 80.810 2.064 5.981 347 H CYS 46 HN CYS 46 84.322 2.592 3.855 348 HA CYS 46 HA CYS 46 84.898 0.186 2.203 349 1HB CYS 46 2HB CYS 46 86.982 1.347 1.570 350 2HB CYS 46 3HB CYS 46 85.574 2.348 1.221 351 HG CYS 46 HG CYS 46 87.665 2.897 3.433 352 H SER 47 HN SER 47 85.717 -1.501 3.296 353 HA SER 47 HA SER 47 87.102 -0.997 5.879 354 1HB SER 47 2HB SER 47 86.228 -3.639 4.673 355 2HB SER 47 3HB SER 47 86.743 -3.354 6.333 356 HG SER 47 HG SER 47 84.923 -1.946 6.534 357 H VAL 48 HN VAL 48 89.301 -1.147 5.965 358 HA VAL 48 HA VAL 48 90.672 -2.643 3.772 359 HB VAL 48 HB VAL 48 90.930 -0.235 3.385 360 1HG1 VAL 48 HG13 VAL 48 91.312 -0.270 6.288 361 2HG1 VAL 48 HG12 VAL 48 92.521 0.697 5.443 362 3HG1 VAL 48 HG11 VAL 48 90.805 1.055 5.241 363 1HG2 VAL 48 HG23 VAL 48 92.895 -1.909 3.148 364 2HG2 VAL 48 HG22 VAL 48 93.276 -0.186 3.158 365 3HG2 VAL 48 HG21 VAL 48 93.519 -1.154 4.613 366 H VAL 49 HN VAL 49 92.934 -3.214 4.362 367 HA VAL 49 HA VAL 49 93.112 -3.977 7.250 368 HB VAL 49 HB VAL 49 94.676 -5.206 4.971 369 1HG1 VAL 49 HG13 VAL 49 95.274 -5.319 7.545 370 2HG1 VAL 49 HG12 VAL 49 93.985 -6.521 7.574 371 3HG1 VAL 49 HG11 VAL 49 95.395 -6.765 6.544 372 1HG2 VAL 49 HG22 VAL 49 91.985 -5.383 5.141 373 2HG2 VAL 49 HG21 VAL 49 92.992 -6.701 4.549 374 3HG2 VAL 49 HG23 VAL 49 92.440 -6.697 6.226 375 H VAL 50 HN VAL 50 94.917 -3.255 8.389 376 HA VAL 50 HA VAL 50 96.755 -1.545 6.788 377 HB VAL 50 HB VAL 50 95.761 -1.312 9.634 378 1HG1 VAL 50 HG11 VAL 50 98.229 -0.319 8.379 379 2HG1 VAL 50 HG13 VAL 50 97.252 0.946 9.125 380 3HG1 VAL 50 HG12 VAL 50 97.802 -0.428 10.088 381 1HG2 VAL 50 HG21 VAL 50 95.498 0.261 7.082 382 2HG2 VAL 50 HG23 VAL 50 94.213 -0.385 8.098 383 3HG2 VAL 50 HG22 VAL 50 95.161 0.998 8.647 384 H ASP 51 HN ASP 51 98.959 -1.618 7.229 385 HA ASP 51 HA ASP 51 100.141 -4.092 7.744 386 1HB ASP 51 2HB ASP 51 101.266 -2.045 6.754 387 2HB ASP 51 3HB ASP 51 101.409 -1.420 8.399 388 H GLY 52 HN GLY 52 98.643 -2.002 9.862 389 1HA GLY 52 2HA GLY 52 100.059 -3.125 12.219 390 2HA GLY 52 3HA GLY 52 99.038 -1.689 12.244 391 H GLU 53 HN GLU 53 96.690 -2.520 11.088 392 HA GLU 53 HA GLU 53 95.872 -5.101 12.213 393 1HB GLU 53 2HB GLU 53 94.860 -2.515 13.445 394 2HB GLU 53 3HB GLU 53 94.153 -4.097 13.740 395 1HG GLU 53 2HG GLU 53 96.971 -3.222 14.442 396 2HG GLU 53 3HG GLU 53 95.655 -3.539 15.565 397 H VAL 54 HN VAL 54 93.253 -5.050 12.185 398 HA VAL 54 HA VAL 54 92.531 -4.236 9.416 399 HB VAL 54 HB VAL 54 91.879 -6.475 9.805 400 1HG1 VAL 54 HG13 VAL 54 90.930 -5.485 12.512 401 2HG1 VAL 54 HG12 VAL 54 90.578 -7.097 11.890 402 3HG1 VAL 54 HG11 VAL 54 92.248 -6.613 12.192 403 1HG2 VAL 54 HG22 VAL 54 90.039 -4.946 8.948 404 2HG2 VAL 54 HG21 VAL 54 89.464 -6.421 9.725 405 3HG2 VAL 54 HG23 VAL 54 89.416 -4.891 10.596 406 H LYS 55 HN LYS 55 91.239 -2.456 9.064 407 HA LYS 55 HA LYS 55 89.640 -1.473 11.395 408 1HB LYS 55 2HB LYS 55 91.317 0.135 9.461 409 2HB LYS 55 3HB LYS 55 90.112 0.855 10.530 410 1HG LYS 55 2HG LYS 55 91.920 1.015 11.932 411 2HG LYS 55 3HG LYS 55 91.434 -0.632 12.335 412 1HD LYS 55 2HD LYS 55 93.068 -1.575 10.865 413 2HD LYS 55 3HD LYS 55 93.403 -0.002 10.131 414 1HE LYS 55 2HE LYS 55 94.468 0.812 12.096 415 2HE LYS 55 3HE LYS 55 93.818 -0.493 13.087 416 1HZ LYS 55 HZ1 LYS 55 95.146 -1.979 11.463 417 2HZ LYS 55 HZ3 LYS 55 96.019 -0.564 11.134 418 3HZ LYS 55 HZ2 LYS 55 95.965 -1.179 12.717 419 H HIS 56 HN HIS 56 87.655 -0.495 10.916 420 HA HIS 56 HA HIS 56 86.628 -1.031 8.166 421 1HB HIS 56 2HB HIS 56 85.236 -0.686 10.842 422 2HB HIS 56 3HB HIS 56 84.370 -0.749 9.309 423 HD1 HIS 56 HD1 HIS 56 85.946 -2.925 11.853 424 HD2 HIS 56 HD2 HIS 56 84.711 -3.271 7.890 425 HE1 HIS 56 HE1 HIS 56 85.880 -5.410 11.327 426 H CYS 57 HN CYS 57 87.180 0.923 7.068 427 HA CYS 57 HA CYS 57 86.659 3.495 8.392 428 1HB CYS 57 2HB CYS 57 87.607 2.811 5.598 429 2HB CYS 57 3HB CYS 57 87.401 4.460 6.188 430 HG CYS 57 HG CYS 57 89.177 3.801 8.112 431 H VAL 58 HN VAL 58 84.991 4.940 7.842 432 HA VAL 58 HA VAL 58 82.689 3.634 6.475 433 HB VAL 58 HB VAL 58 82.577 4.416 8.891 434 1HG1 VAL 58 HG11 VAL 58 83.820 6.564 8.411 435 2HG1 VAL 58 HG13 VAL 58 82.375 7.144 7.581 436 3HG1 VAL 58 HG12 VAL 58 82.316 6.782 9.306 437 1HG2 VAL 58 HG21 VAL 58 80.636 5.501 6.830 438 2HG2 VAL 58 HG23 VAL 58 80.539 3.950 7.667 439 3HG2 VAL 58 HG22 VAL 58 80.305 5.451 8.562 440 H ILE 59 HN ILE 59 81.629 4.575 4.776 441 HA ILE 59 HA ILE 59 82.735 7.152 3.758 442 HB ILE 59 HB ILE 59 81.151 5.045 2.249 443 1HG1 ILE 59 HG12 ILE 59 83.365 4.184 2.877 444 2HG1 ILE 59 HG11 ILE 59 83.323 4.537 1.152 445 1HG2 ILE 59 HG22 ILE 59 81.025 7.451 1.471 446 2HG2 ILE 59 HG21 ILE 59 82.765 7.373 1.197 447 3HG2 ILE 59 HG23 ILE 59 81.681 6.320 0.287 448 1HD1 ILE 59 HD13 ILE 59 84.159 6.934 2.090 449 2HD1 ILE 59 HD12 ILE 59 84.845 5.874 3.321 450 3HD1 ILE 59 HD11 ILE 59 85.265 5.643 1.624 451 H ASN 60 HN ASN 60 81.327 8.899 3.940 452 HA ASN 60 HA ASN 60 78.479 8.211 4.572 453 1HB ASN 60 2HB ASN 60 80.178 10.554 5.452 454 2HB ASN 60 3HB ASN 60 78.439 10.438 5.739 455 1HD2 ASN 60 HD22 ASN 60 79.089 7.315 7.734 456 2HD2 ASN 60 HD21 ASN 60 78.261 7.635 6.288 457 H LYS 61 HN LYS 61 76.996 8.840 3.131 458 HA LYS 61 HA LYS 61 77.775 10.942 1.162 459 1HB LYS 61 2HB LYS 61 77.232 8.677 0.247 460 2HB LYS 61 3HB LYS 61 75.612 8.831 0.928 461 1HG LYS 61 2HG LYS 61 75.233 10.862 -0.422 462 2HG LYS 61 3HG LYS 61 76.850 10.710 -1.106 463 1HD LYS 61 2HD LYS 61 76.263 8.564 -2.119 464 2HD LYS 61 3HD LYS 61 74.669 8.617 -1.364 465 1HE LYS 61 2HE LYS 61 74.111 10.646 -2.616 466 2HE LYS 61 3HE LYS 61 75.721 10.666 -3.337 467 1HZ LYS 61 HZ3 LYS 61 74.274 8.179 -3.618 468 2HZ LYS 61 HZ2 LYS 61 73.590 9.496 -4.444 469 3HZ LYS 61 HZ1 LYS 61 75.195 9.034 -4.756 470 H THR 62 HN THR 62 76.768 12.882 1.426 471 HA THR 62 HA THR 62 73.984 12.889 2.468 472 HB THR 62 HB THR 62 74.500 14.723 4.023 473 HG1 THR 62 HG1 THR 62 77.212 14.356 3.882 474 1HG2 THR 62 HG22 THR 62 74.655 12.389 4.810 475 2HG2 THR 62 HG21 THR 62 76.358 12.356 4.357 476 3HG2 THR 62 HG23 THR 62 75.809 13.427 5.648 477 H ALA 63 HN ALA 63 72.988 15.125 2.146 478 HA ALA 63 HA ALA 63 72.919 15.950 -0.478 479 1HB ALA 63 HB1 ALA 63 71.759 16.854 1.776 480 2HB ALA 63 HB3 ALA 63 72.934 18.146 1.545 481 3HB ALA 63 HB2 ALA 63 71.753 17.794 0.283 482 H THR 64 HN THR 64 75.523 16.313 1.726 483 HA THR 64 HA THR 64 77.163 17.564 -0.373 484 HB THR 64 HB THR 64 76.826 18.851 2.352 485 HG1 THR 64 HG1 THR 64 75.451 20.103 1.401 486 1HG2 THR 64 HG21 THR 64 78.960 18.917 0.464 487 2HG2 THR 64 HG23 THR 64 78.161 20.486 0.434 488 3HG2 THR 64 HG22 THR 64 78.795 19.846 1.950 489 H GLY 65 HN GLY 65 77.235 14.949 0.810 490 1HA GLY 65 2HA GLY 65 79.940 15.094 2.019 491 2HA GLY 65 3HA GLY 65 78.691 14.231 2.915 492 H TYR 66 HN TYR 66 80.876 12.867 2.214 493 HA TYR 66 HA TYR 66 79.864 10.686 0.618 494 1HB TYR 66 2HB TYR 66 82.000 12.499 -0.530 495 2HB TYR 66 3HB TYR 66 81.846 10.815 -1.023 496 HD1 TYR 66 HD1 TYR 66 79.699 10.022 -2.079 497 HD2 TYR 66 HD2 TYR 66 80.501 14.175 -1.330 498 HE1 TYR 66 HE1 TYR 66 77.915 10.655 -3.682 499 HE2 TYR 66 HE2 TYR 66 78.721 14.808 -2.937 500 HH TYR 66 HH TYR 66 76.517 12.468 -4.262 501 H GLY 67 HN GLY 67 82.155 12.299 2.560 502 1HA GLY 67 2HA GLY 67 82.997 10.207 4.153 503 2HA GLY 67 3HA GLY 67 84.107 10.152 2.779 504 H PHE 68 HN PHE 68 85.458 12.031 2.373 505 HA PHE 68 HA PHE 68 85.867 13.659 4.838 506 1HB PHE 68 2HB PHE 68 87.706 13.132 2.485 507 2HB PHE 68 3HB PHE 68 88.107 14.148 3.870 508 HD1 PHE 68 HD1 PHE 68 87.426 12.902 6.227 509 HD2 PHE 68 HD2 PHE 68 88.590 10.983 2.565 510 HE1 PHE 68 HE1 PHE 68 88.135 10.899 7.505 511 HE2 PHE 68 HE2 PHE 68 89.299 8.976 3.843 512 HZ PHE 68 HZ PHE 68 89.072 8.937 6.314 513 H ALA 69 HN ALA 69 85.708 15.905 4.730 514 HA ALA 69 HA ALA 69 85.082 17.077 2.046 515 1HB ALA 69 HB3 ALA 69 83.769 17.734 4.699 516 2HB ALA 69 HB2 ALA 69 83.455 18.562 3.173 517 3HB ALA 69 HB1 ALA 69 83.021 16.863 3.361 518 H GLU 70 HN GLU 70 87.392 17.049 4.324 519 HA GLU 70 HA GLU 70 87.772 20.006 4.291 520 1HB GLU 70 2HB GLU 70 89.033 17.870 6.028 521 2HB GLU 70 3HB GLU 70 89.426 19.588 6.110 522 1HG GLU 70 2HG GLU 70 87.781 19.494 7.733 523 2HG GLU 70 3HG GLU 70 86.783 19.819 6.317 524 HA PRO 71 HA PRO 71 91.744 18.222 2.359 525 1HB PRO 71 2HB PRO 71 91.732 15.701 1.418 526 2HB PRO 71 3HB PRO 71 91.993 16.047 3.139 527 1HG PRO 71 2HG PRO 71 89.594 14.991 1.768 528 2HG PRO 71 3HG PRO 71 90.186 14.688 3.408 529 1HD PRO 71 2HD PRO 71 88.122 16.495 2.666 530 2HD PRO 71 3HD PRO 71 88.890 16.359 4.264 531 H TYR 72 HN TYR 72 89.176 16.367 0.671 532 HA TYR 72 HA TYR 72 89.779 18.001 -1.761 533 1HB TYR 72 2HB TYR 72 88.912 15.099 -1.562 534 2HB TYR 72 3HB TYR 72 88.973 16.007 -3.071 535 HD1 TYR 72 HD1 TYR 72 91.015 14.582 -0.317 536 HD2 TYR 72 HD2 TYR 72 91.080 16.573 -4.127 537 HE1 TYR 72 HE1 TYR 72 93.442 14.095 -0.536 538 HE2 TYR 72 HE2 TYR 72 93.498 16.079 -4.344 539 HH TYR 72 HH TYR 72 95.363 15.490 -3.118 540 H ASN 73 HN ASN 73 87.717 18.108 0.575 541 HA ASN 73 HA ASN 73 85.505 18.833 0.804 542 1HB ASN 73 2HB ASN 73 85.739 19.291 -2.189 543 2HB ASN 73 3HB ASN 73 84.478 19.943 -1.144 544 1HD2 ASN 73 HD22 ASN 73 86.797 22.186 0.550 545 2HD2 ASN 73 HD21 ASN 73 85.529 21.122 0.924 546 H LEU 74 HN LEU 74 83.953 18.324 -1.995 547 HA LEU 74 HA LEU 74 82.958 15.675 -1.122 548 1HB LEU 74 2HB LEU 74 81.700 17.644 -3.065 549 2HB LEU 74 3HB LEU 74 80.950 16.192 -2.406 550 HG LEU 74 HG LEU 74 80.067 17.874 -1.060 551 1HD1 LEU 74 HD11 LEU 74 81.173 16.070 0.277 552 2HD1 LEU 74 HD13 LEU 74 82.585 17.118 0.441 553 3HD1 LEU 74 HD12 LEU 74 81.041 17.604 1.137 554 1HD2 LEU 74 HD21 LEU 74 82.509 19.253 -1.786 555 2HD2 LEU 74 HD23 LEU 74 80.974 19.924 -1.238 556 3HD2 LEU 74 HD22 LEU 74 82.186 19.424 -0.059 557 H TYR 75 HN TYR 75 84.074 14.144 -2.134 558 HA TYR 75 HA TYR 75 85.539 14.276 -4.514 559 1HB TYR 75 2HB TYR 75 84.019 11.880 -3.435 560 2HB TYR 75 3HB TYR 75 85.297 11.807 -4.650 561 HD1 TYR 75 HD1 TYR 75 87.648 12.491 -4.039 562 HD2 TYR 75 HD2 TYR 75 84.507 12.172 -1.126 563 HE1 TYR 75 HE1 TYR 75 89.337 12.468 -2.220 564 HE2 TYR 75 HE2 TYR 75 86.191 12.148 0.690 565 HH TYR 75 HH TYR 75 89.685 12.286 -0.041 566 H SER 76 HN SER 76 85.059 13.915 -6.695 567 HA SER 76 HA SER 76 82.544 14.808 -7.654 568 1HB SER 76 2HB SER 76 84.675 13.188 -9.070 569 2HB SER 76 3HB SER 76 83.330 13.990 -9.874 570 HG SER 76 HG SER 76 85.088 15.362 -9.905 571 H SER 77 HN SER 77 83.775 11.449 -7.374 572 HA SER 77 HA SER 77 80.970 10.517 -7.322 573 1HB SER 77 2HB SER 77 81.234 8.961 -9.162 574 2HB SER 77 3HB SER 77 81.639 10.574 -9.744 575 HG SER 77 HG SER 77 83.639 9.959 -10.009 576 H LEU 78 HN LEU 78 80.924 8.092 -6.940 577 HA LEU 78 HA LEU 78 82.617 7.472 -4.700 578 1HB LEU 78 2HB LEU 78 80.198 6.580 -5.642 579 2HB LEU 78 3HB LEU 78 81.254 5.217 -6.018 580 HG LEU 78 HG LEU 78 81.122 6.560 -3.310 581 1HD1 LEU 78 HD11 LEU 78 79.619 4.245 -4.505 582 2HD1 LEU 78 HD13 LEU 78 79.985 4.251 -2.779 583 3HD1 LEU 78 HD12 LEU 78 79.015 5.547 -3.480 584 1HD2 LEU 78 HD23 LEU 78 82.915 4.662 -4.523 585 2HD2 LEU 78 HD22 LEU 78 82.956 5.308 -2.881 586 3HD2 LEU 78 HD21 LEU 78 82.023 3.853 -3.237 587 H LYS 79 HN LYS 79 82.636 6.515 -8.122 588 HA LYS 79 HA LYS 79 84.616 4.473 -7.931 589 1HB LYS 79 2HB LYS 79 83.940 6.418 -10.152 590 2HB LYS 79 3HB LYS 79 85.094 5.097 -10.344 591 1HG LYS 79 2HG LYS 79 83.331 3.476 -9.717 592 2HG LYS 79 3HG LYS 79 82.178 4.803 -9.563 593 1HD LYS 79 2HD LYS 79 82.449 5.373 -11.915 594 2HD LYS 79 3HD LYS 79 83.706 4.149 -12.095 595 1HE LYS 79 2HE LYS 79 81.649 3.209 -12.942 596 2HE LYS 79 3HE LYS 79 82.010 2.415 -11.411 597 1HZ LYS 79 HZ2 LYS 79 80.529 4.662 -10.784 598 2HZ LYS 79 HZ1 LYS 79 79.752 3.968 -12.125 599 3HZ LYS 79 HZ3 LYS 79 80.015 3.044 -10.728 600 H GLU 80 HN GLU 80 84.865 7.990 -8.294 601 HA GLU 80 HA GLU 80 87.740 8.033 -8.492 602 1HB GLU 80 2HB GLU 80 86.218 9.921 -9.166 603 2HB GLU 80 3HB GLU 80 85.917 10.223 -7.455 604 1HG GLU 80 2HG GLU 80 88.233 10.742 -7.056 605 2HG GLU 80 3HG GLU 80 88.694 10.182 -8.665 606 H LEU 81 HN LEU 81 85.439 7.961 -5.839 607 HA LEU 81 HA LEU 81 87.184 8.731 -3.726 608 1HB LEU 81 2HB LEU 81 84.624 8.260 -3.670 609 2HB LEU 81 3HB LEU 81 85.083 6.575 -3.440 610 HG LEU 81 HG LEU 81 84.685 7.727 -1.278 611 1HD1 LEU 81 HD11 LEU 81 86.620 5.963 -1.827 612 2HD1 LEU 81 HD13 LEU 81 87.639 7.312 -1.325 613 3HD1 LEU 81 HD12 LEU 81 86.429 6.661 -0.220 614 1HD2 LEU 81 HD22 LEU 81 85.716 9.930 -2.380 615 2HD2 LEU 81 HD21 LEU 81 85.785 9.661 -0.638 616 3HD2 LEU 81 HD23 LEU 81 87.193 9.317 -1.642 617 H VAL 82 HN VAL 82 86.509 5.520 -5.157 618 HA VAL 82 HA VAL 82 88.333 4.107 -3.448 619 HB VAL 82 HB VAL 82 87.377 3.459 -6.258 620 1HG1 VAL 82 HG11 VAL 82 88.918 1.875 -4.196 621 2HG1 VAL 82 HG13 VAL 82 87.983 1.091 -5.469 622 3HG1 VAL 82 HG12 VAL 82 89.332 2.148 -5.889 623 1HG2 VAL 82 HG22 VAL 82 86.455 2.526 -3.520 624 2HG2 VAL 82 HG21 VAL 82 85.580 3.645 -4.565 625 3HG2 VAL 82 HG23 VAL 82 85.807 1.968 -5.063 626 H LEU 83 HN LEU 83 88.696 5.551 -6.688 627 HA LEU 83 HA LEU 83 91.466 4.832 -7.018 628 1HB LEU 83 2HB LEU 83 89.749 6.995 -8.272 629 2HB LEU 83 3HB LEU 83 91.398 6.637 -8.787 630 HG LEU 83 HG LEU 83 89.503 4.342 -8.588 631 1HD1 LEU 83 HD13 LEU 83 89.237 6.636 -10.489 632 2HD1 LEU 83 HD12 LEU 83 89.030 5.007 -11.131 633 3HD1 LEU 83 HD11 LEU 83 87.991 5.576 -9.825 634 1HD2 LEU 83 HD22 LEU 83 92.023 4.419 -9.290 635 2HD2 LEU 83 HD21 LEU 83 90.902 3.431 -10.227 636 3HD2 LEU 83 HD23 LEU 83 91.393 5.014 -10.826 637 H HIS 84 HN HIS 84 89.846 7.787 -5.845 638 HA HIS 84 HA HIS 84 92.188 9.366 -5.530 639 1HB HIS 84 2HB HIS 84 89.910 10.297 -5.405 640 2HB HIS 84 3HB HIS 84 89.634 9.430 -3.894 641 HD1 HIS 84 HD1 HIS 84 91.038 10.201 -1.803 642 HD2 HIS 84 HD2 HIS 84 91.458 12.653 -5.150 643 HE1 HIS 84 HE1 HIS 84 92.121 12.340 -0.993 644 H TYR 85 HN TYR 85 90.603 7.130 -3.239 645 HA TYR 85 HA TYR 85 92.442 7.694 -1.084 646 1HB TYR 85 2HB TYR 85 90.558 5.394 -1.643 647 2HB TYR 85 3HB TYR 85 91.604 5.419 -0.227 648 HD1 TYR 85 HD2 TYR 85 90.400 8.630 -1.497 649 HD2 TYR 85 HD1 TYR 85 89.553 5.416 1.223 650 HE1 TYR 85 HE2 TYR 85 88.772 10.060 -0.312 651 HE2 TYR 85 HE1 TYR 85 87.920 6.853 2.409 652 HH TYR 85 HH TYR 85 86.744 8.782 2.288 653 H GLN 86 HN GLN 86 92.582 5.655 -3.898 654 HA GLN 86 HA GLN 86 94.594 3.821 -3.039 655 1HB GLN 86 2HB GLN 86 93.259 3.580 -5.140 656 2HB GLN 86 3HB GLN 86 94.140 4.940 -5.832 657 1HG GLN 86 2HG GLN 86 95.736 2.667 -4.718 658 2HG GLN 86 3HG GLN 86 94.915 2.423 -6.261 659 1HE2 GLN 86 HE22 GLN 86 97.703 3.960 -7.801 660 2HE2 GLN 86 HE21 GLN 86 96.739 2.569 -7.672 661 H HIS 87 HN HIS 87 94.781 7.141 -4.283 662 HA HIS 87 HA HIS 87 97.746 7.021 -4.246 663 1HB HIS 87 2HB HIS 87 95.891 9.284 -5.032 664 2HB HIS 87 3HB HIS 87 97.637 9.237 -5.281 665 HD1 HIS 87 HD1 HIS 87 98.310 6.745 -6.588 666 HD2 HIS 87 HD2 HIS 87 94.615 8.522 -7.343 667 HE1 HIS 87 HE1 HIS 87 97.529 5.854 -8.828 668 H THR 88 HN THR 88 95.151 8.101 -2.250 669 HA THR 88 HA THR 88 96.997 9.833 -0.687 670 HB THR 88 HB THR 88 94.624 10.171 0.516 671 HG1 THR 88 HG1 THR 88 92.984 9.723 -0.772 672 1HG2 THR 88 HG22 THR 88 95.476 11.416 -2.116 673 2HG2 THR 88 HG21 THR 88 94.286 12.104 -1.014 674 3HG2 THR 88 HG23 THR 88 95.966 11.950 -0.507 675 H SER 89 HN SER 89 97.721 9.191 1.284 676 HA SER 89 HA SER 89 97.239 6.467 2.159 677 1HB SER 89 2HB SER 89 99.414 7.495 2.517 678 2HB SER 89 3HB SER 89 98.687 8.789 3.462 679 HG SER 89 HG SER 89 97.927 6.397 4.424 680 H LEU 90 HN LEU 90 95.790 5.761 3.661 681 HA LEU 90 HA LEU 90 93.621 7.421 4.484 682 1HB LEU 90 2HB LEU 90 94.558 4.676 5.256 683 2HB LEU 90 3HB LEU 90 93.263 5.440 6.174 684 HG LEU 90 HG LEU 90 92.116 5.889 3.937 685 1HD1 LEU 90 HD12 LEU 90 94.264 5.427 2.630 686 2HD1 LEU 90 HD11 LEU 90 93.959 3.718 2.929 687 3HD1 LEU 90 HD13 LEU 90 92.800 4.675 2.007 688 1HD2 LEU 90 HD22 LEU 90 92.575 3.051 4.898 689 2HD2 LEU 90 HD21 LEU 90 91.268 4.138 5.366 690 3HD2 LEU 90 HD23 LEU 90 91.334 3.494 3.726 691 H VAL 91 HN VAL 91 96.683 6.705 6.021 692 HA VAL 91 HA VAL 91 97.069 7.042 8.482 693 HB VAL 91 HB VAL 91 98.584 8.242 6.973 694 1HG1 VAL 91 HG12 VAL 91 96.513 9.549 5.955 695 2HG1 VAL 91 HG11 VAL 91 96.921 10.728 7.206 696 3HG1 VAL 91 HG13 VAL 91 98.113 10.289 5.983 697 1HG2 VAL 91 HG22 VAL 91 98.519 8.597 9.499 698 2HG2 VAL 91 HG21 VAL 91 99.343 9.841 8.561 699 3HG2 VAL 91 HG23 VAL 91 97.710 10.129 9.162 700 H GLN 92 HN GLN 92 95.463 9.974 7.229 701 HA GLN 92 HA GLN 92 94.156 11.524 8.433 702 1HB GLN 92 2HB GLN 92 91.946 10.656 8.747 703 2HB GLN 92 3HB GLN 92 92.641 9.826 7.359 704 1HG GLN 92 2HG GLN 92 93.206 7.892 8.804 705 2HG GLN 92 3HG GLN 92 92.495 8.721 10.181 706 1HE2 GLN 92 HE22 GLN 92 89.239 7.698 9.369 707 2HE2 GLN 92 HE21 GLN 92 90.318 8.288 10.539 708 H HIS 93 HN HIS 93 92.330 10.681 10.606 709 HA HIS 93 HA HIS 93 93.751 11.566 12.835 710 1HB HIS 93 2HB HIS 93 91.406 9.652 12.724 711 2HB HIS 93 3HB HIS 93 91.953 10.484 14.183 712 HD1 HIS 93 HD1 HIS 93 89.892 10.956 11.170 713 HD2 HIS 93 HD2 HIS 93 91.790 13.404 13.956 714 HE1 HIS 93 HE1 HIS 93 88.888 13.267 10.896 715 H ASN 94 HN ASN 94 94.157 10.161 14.874 716 HA ASN 94 HA ASN 94 95.415 8.468 15.897 717 1HB ASN 94 2HB ASN 94 94.503 6.871 13.477 718 2HB ASN 94 3HB ASN 94 95.218 6.195 14.938 719 1HD2 ASN 94 HD22 ASN 94 92.213 7.681 16.764 720 2HD2 ASN 94 HD21 ASN 94 93.831 8.189 16.692 721 H ASP 95 HN ASP 95 95.947 9.392 12.621 722 HA ASP 95 HA ASP 95 97.849 9.547 11.305 723 1HB ASP 95 2HB ASP 95 99.056 9.702 14.079 724 2HB ASP 95 3HB ASP 95 99.985 9.968 12.602 725 H SER 96 HN SER 96 96.875 6.828 12.013 726 HA SER 96 HA SER 96 99.467 5.449 11.556 727 1HB SER 96 2HB SER 96 97.290 4.451 13.409 728 2HB SER 96 3HB SER 96 98.786 3.603 13.028 729 HG SER 96 HG SER 96 98.328 5.818 14.640 730 H LEU 97 HN LEU 97 96.474 6.053 10.301 731 HA LEU 97 HA LEU 97 96.007 3.355 9.220 732 1HB LEU 97 2HB LEU 97 94.754 6.037 8.536 733 2HB LEU 97 3HB LEU 97 94.234 4.484 7.879 734 HG LEU 97 HG LEU 97 94.313 5.146 10.836 735 1HD1 LEU 97 HD11 LEU 97 92.229 5.480 8.732 736 2HD1 LEU 97 HD13 LEU 97 91.698 4.809 10.274 737 3HD1 LEU 97 HD12 LEU 97 92.476 6.390 10.223 738 1HD2 LEU 97 HD23 LEU 97 93.901 2.707 9.256 739 2HD2 LEU 97 HD22 LEU 97 94.221 2.882 10.981 740 3HD2 LEU 97 HD21 LEU 97 92.573 3.031 10.373 741 H ASN 98 HN ASN 98 98.496 3.791 8.657 742 HA ASN 98 HA ASN 98 98.913 5.279 6.188 743 1HB ASN 98 2HB ASN 98 100.654 4.988 7.969 744 2HB ASN 98 3HB ASN 98 100.727 3.274 7.559 745 1HD2 ASN 98 HD22 ASN 98 102.045 5.939 4.707 746 2HD2 ASN 98 HD21 ASN 98 100.760 6.392 5.719 747 H VAL 99 HN VAL 99 97.353 4.219 4.824 748 HA VAL 99 HA VAL 99 98.465 1.917 3.412 749 HB VAL 99 HB VAL 99 97.285 0.690 5.128 750 1HG1 VAL 99 HG11 VAL 99 95.107 2.691 4.555 751 2HG1 VAL 99 HG13 VAL 99 94.729 1.133 5.286 752 3HG1 VAL 99 HG12 VAL 99 95.815 2.254 6.109 753 1HG2 VAL 99 HG21 VAL 99 97.007 -0.106 2.798 754 2HG2 VAL 99 HG23 VAL 99 95.591 -0.476 3.784 755 3HG2 VAL 99 HG22 VAL 99 95.548 0.874 2.650 756 H THR 100 HN THR 100 97.328 1.596 1.360 757 HA THR 100 HA THR 100 95.526 3.889 0.683 758 HB THR 100 HB THR 100 96.518 4.007 -1.511 759 HG1 THR 100 HG1 THR 100 97.511 2.363 -2.320 760 1HG2 THR 100 HG21 THR 100 97.727 5.087 0.418 761 2HG2 THR 100 HG23 THR 100 98.793 3.684 0.452 762 3HG2 THR 100 HG22 THR 100 98.748 4.721 -0.973 763 H LEU 101 HN LEU 101 93.752 3.380 -0.671 764 HA LEU 101 HA LEU 101 92.940 0.563 -0.614 765 1HB LEU 101 2HB LEU 101 91.571 2.958 -1.892 766 2HB LEU 101 3HB LEU 101 90.827 1.393 -1.563 767 HG LEU 101 HG LEU 101 91.845 3.400 0.470 768 1HD1 LEU 101 HD11 LEU 101 89.108 2.225 -0.107 769 2HD1 LEU 101 HD13 LEU 101 89.479 3.253 1.274 770 3HD1 LEU 101 HD12 LEU 101 89.604 3.898 -0.364 771 1HD2 LEU 101 HD23 LEU 101 91.212 0.499 0.687 772 2HD2 LEU 101 HD22 LEU 101 92.420 1.448 1.551 773 3HD2 LEU 101 HD21 LEU 101 90.718 1.551 2.008 774 H ALA 102 HN ALA 102 95.014 0.177 -2.012 775 HA ALA 102 HA ALA 102 94.499 0.713 -4.880 776 1HB ALA 102 HB2 ALA 102 96.774 0.950 -3.454 777 2HB ALA 102 HB1 ALA 102 96.961 -0.701 -4.044 778 3HB ALA 102 HB3 ALA 102 96.750 0.625 -5.188 779 H TYR 103 HN TYR 103 94.463 -2.004 -2.630 780 HA TYR 103 HA TYR 103 94.259 -3.800 -5.013 781 1HB TYR 103 2HB TYR 103 95.098 -4.433 -2.176 782 2HB TYR 103 3HB TYR 103 94.906 -5.630 -3.459 783 HD1 TYR 103 HD1 TYR 103 96.402 -5.643 -5.418 784 HD2 TYR 103 HD2 TYR 103 96.967 -2.863 -2.188 785 HE1 TYR 103 HE1 TYR 103 98.667 -5.107 -6.273 786 HE2 TYR 103 HE2 TYR 103 99.235 -2.332 -3.045 787 HH TYR 103 HH TYR 103 101.000 -3.818 -4.643 788 HA PRO 104 HA PRO 104 89.934 -4.057 -3.647 789 1HB PRO 104 2HB PRO 104 89.651 -6.034 -5.781 790 2HB PRO 104 3HB PRO 104 88.872 -4.459 -5.603 791 1HG PRO 104 2HG PRO 104 90.797 -5.055 -7.456 792 2HG PRO 104 3HG PRO 104 90.397 -3.425 -6.894 793 1HD PRO 104 2HD PRO 104 92.760 -5.090 -6.271 794 2HD PRO 104 3HD PRO 104 92.558 -3.326 -6.193 795 H VAL 105 HN VAL 105 88.656 -5.815 -2.674 796 HA VAL 105 HA VAL 105 90.334 -7.946 -1.580 797 HB VAL 105 HB VAL 105 88.517 -6.853 -0.252 798 1HG1 VAL 105 HG11 VAL 105 86.778 -8.335 -2.248 799 2HG1 VAL 105 HG13 VAL 105 86.179 -7.753 -0.698 800 3HG1 VAL 105 HG12 VAL 105 86.772 -6.605 -1.900 801 1HG2 VAL 105 HG22 VAL 105 88.974 -9.728 -0.591 802 2HG2 VAL 105 HG21 VAL 105 88.876 -8.775 0.890 803 3HG2 VAL 105 HG23 VAL 105 87.403 -9.367 0.123 804 H TYR 106 HN TYR 106 87.931 -7.651 -4.132 805 HA TYR 106 HA TYR 106 88.018 -10.587 -4.555 806 1HB TYR 106 2HB TYR 106 86.196 -8.417 -5.554 807 2HB TYR 106 3HB TYR 106 86.229 -10.004 -6.321 808 HD1 TYR 106 HD1 TYR 106 86.141 -12.040 -4.637 809 HD2 TYR 106 HD2 TYR 106 84.754 -8.076 -3.769 810 HE1 TYR 106 HE1 TYR 106 84.686 -12.946 -2.847 811 HE2 TYR 106 HE2 TYR 106 83.296 -8.976 -1.978 812 HH TYR 106 HH TYR 106 82.223 -11.700 -1.685 813 H ALA 107 HN ALA 107 90.303 -8.840 -5.180 814 HA ALA 107 HA ALA 107 90.353 -8.597 -8.089 815 1HB ALA 107 HB3 ALA 107 91.981 -7.718 -5.881 816 2HB ALA 107 HB2 ALA 107 92.997 -8.546 -7.060 817 3HB ALA 107 HB1 ALA 107 92.013 -7.171 -7.559 818 H GLN 108 HN GLN 108 89.974 -11.275 -6.609 819 HA GLN 108 HA GLN 108 92.219 -12.944 -6.928 820 1HB GLN 108 2HB GLN 108 89.987 -13.567 -5.917 821 2HB GLN 108 3HB GLN 108 89.367 -13.741 -7.560 822 1HG GLN 108 2HG GLN 108 91.172 -15.398 -8.026 823 2HG GLN 108 3HG GLN 108 91.682 -15.268 -6.342 824 1HE2 GLN 108 HE22 GLN 108 88.281 -16.569 -5.355 825 2HE2 GLN 108 HE21 GLN 108 89.027 -15.054 -5.181 826 H GLN 109 HN GLN 109 93.192 -13.904 -8.705 827 HA GLN 109 HA GLN 109 92.280 -12.961 -11.364 828 1HB GLN 109 2HB GLN 109 94.793 -14.420 -10.500 829 2HB GLN 109 3HB GLN 109 94.457 -13.897 -12.150 830 1HG GLN 109 2HG GLN 109 94.623 -12.067 -9.738 831 2HG GLN 109 3HG GLN 109 95.896 -12.283 -10.938 832 1HE2 GLN 109 HE22 GLN 109 93.420 -10.902 -13.479 833 2HE2 GLN 109 HE21 GLN 109 94.033 -12.466 -13.236 834 H ARG 110 HN ARG 110 91.561 -14.366 -12.968 835 HA ARG 110 HA ARG 110 91.093 -17.172 -12.073 836 1HB ARG 110 2HB ARG 110 89.087 -15.838 -12.739 837 2HB ARG 110 3HB ARG 110 89.779 -15.669 -14.353 838 1HG ARG 110 2HG ARG 110 89.735 -18.058 -14.699 839 2HG ARG 110 3HG ARG 110 89.249 -18.340 -13.026 840 1HD ARG 110 2HD ARG 110 87.348 -16.544 -13.955 841 2HD ARG 110 3HD ARG 110 87.606 -17.606 -15.336 842 HE ARG 110 HE ARG 110 86.040 -18.302 -13.142 843 1HH1 ARG 110 HH21 ARG 110 88.905 -19.489 -14.654 844 2HH1 ARG 110 HH22 ARG 110 88.705 -21.100 -14.056 845 1HH2 ARG 110 HH11 ARG 110 85.757 -20.389 -12.373 846 2HH2 ARG 110 HH12 ARG 110 86.913 -21.615 -12.774 847 H ARG 111 HN ARG 111 92.096 -18.805 -13.134 848 HA ARG 111 HA ARG 111 92.999 -18.484 -15.888 849 1HB ARG 111 2HB ARG 111 94.826 -17.365 -14.644 850 2HB ARG 111 3HB ARG 111 95.061 -18.831 -13.689 851 1HG ARG 111 2HG ARG 111 95.500 -20.087 -15.800 852 2HG ARG 111 3HG ARG 111 95.381 -18.572 -16.695 853 1HD ARG 111 2HD ARG 111 97.729 -19.060 -16.242 854 2HD ARG 111 3HD ARG 111 97.235 -17.652 -15.299 855 HE ARG 111 HE ARG 111 96.793 -19.748 -13.565 856 1HH1 ARG 111 HH21 ARG 111 99.405 -18.721 -15.555 857 2HH1 ARG 111 HH22 ARG 111 100.633 -19.278 -14.468 858 1HH2 ARG 111 HH11 ARG 111 98.377 -20.482 -12.121 859 2HH2 ARG 111 HH12 ARG 111 100.051 -20.266 -12.515 No H/Q in entry = 859 Start of MODEL 19 1 1H GLU 1 HT1 GLU 1 95.752 -0.486 -18.161 2 2H GLU 1 HT3 GLU 1 96.448 -0.869 -19.659 3 3H GLU 1 HT2 GLU 1 95.045 0.087 -19.596 4 HA GLU 1 HA GLU 1 94.430 -2.117 -20.261 5 1HB GLU 1 2HB GLU 1 94.883 -4.020 -18.750 6 2HB GLU 1 3HB GLU 1 96.384 -3.279 -19.305 7 1HG GLU 1 2HG GLU 1 96.469 -1.953 -17.194 8 2HG GLU 1 3HG GLU 1 95.024 -2.800 -16.637 9 H ASP 2 HN ASP 2 93.076 -3.704 -18.369 10 HA ASP 2 HA ASP 2 90.989 -1.818 -17.522 11 1HB ASP 2 2HB ASP 2 90.482 -4.073 -18.514 12 2HB ASP 2 3HB ASP 2 91.158 -4.814 -17.064 13 H LEU 3 HN LEU 3 90.938 -0.917 -15.487 14 HA LEU 3 HA LEU 3 92.771 -2.077 -13.464 15 1HB LEU 3 2HB LEU 3 92.741 0.427 -14.099 16 2HB LEU 3 3HB LEU 3 91.235 0.502 -13.184 17 HG LEU 3 HG LEU 3 92.487 -0.551 -11.242 18 1HD1 LEU 3 HD11 LEU 3 94.620 -0.404 -13.280 19 2HD1 LEU 3 HD13 LEU 3 95.083 0.239 -11.706 20 3HD1 LEU 3 HD12 LEU 3 94.513 -1.421 -11.844 21 1HD2 LEU 3 HD21 LEU 3 93.332 2.142 -12.340 22 2HD2 LEU 3 HD23 LEU 3 92.026 1.819 -11.201 23 3HD2 LEU 3 HD22 LEU 3 93.707 1.600 -10.706 24 HA PRO 4 HA PRO 4 89.306 -4.161 -11.514 25 1HB PRO 4 2HB PRO 4 90.893 -3.532 -9.059 26 2HB PRO 4 3HB PRO 4 90.184 -5.074 -9.576 27 1HG PRO 4 2HG PRO 4 92.786 -4.604 -9.804 28 2HG PRO 4 3HG PRO 4 91.900 -5.531 -11.026 29 1HD PRO 4 2HD PRO 4 92.970 -2.763 -11.182 30 2HD PRO 4 3HD PRO 4 92.701 -3.952 -12.476 31 H HIS 5 HN HIS 5 90.434 -0.965 -10.657 32 HA HIS 5 HA HIS 5 88.439 -0.422 -8.662 33 1HB HIS 5 2HB HIS 5 89.974 1.462 -10.475 34 2HB HIS 5 3HB HIS 5 88.961 1.981 -9.128 35 HD1 HIS 5 HD1 HIS 5 89.829 -0.510 -7.283 36 HD2 HIS 5 HD2 HIS 5 92.376 2.231 -9.114 37 HE1 HIS 5 HE1 HIS 5 92.000 -0.566 -5.984 38 H HIS 6 HN HIS 6 88.361 -0.444 -12.155 39 HA HIS 6 HA HIS 6 86.061 1.209 -12.545 40 1HB HIS 6 2HB HIS 6 87.205 -1.068 -14.173 41 2HB HIS 6 3HB HIS 6 85.801 -0.131 -14.692 42 HD1 HIS 6 HD1 HIS 6 86.400 2.667 -14.233 43 HD2 HIS 6 HD2 HIS 6 89.448 0.047 -15.339 44 HE1 HIS 6 HE1 HIS 6 88.258 4.096 -15.188 45 H ASP 7 HN ASP 7 86.336 -2.273 -11.860 46 HA ASP 7 HA ASP 7 83.398 -2.514 -11.959 47 1HB ASP 7 2HB ASP 7 85.591 -4.546 -11.491 48 2HB ASP 7 3HB ASP 7 83.870 -4.936 -11.495 49 H GLU 8 HN GLU 8 82.141 -2.427 -10.149 50 HA GLU 8 HA GLU 8 83.248 -1.794 -7.570 51 1HB GLU 8 2HB GLU 8 80.473 -2.614 -8.443 52 2HB GLU 8 3HB GLU 8 80.867 -2.200 -6.774 53 1HG GLU 8 2HG GLU 8 81.518 0.026 -7.390 54 2HG GLU 8 3HG GLU 8 81.440 -0.363 -9.112 55 H LYS 9 HN LYS 9 82.390 -4.795 -9.096 56 HA LYS 9 HA LYS 9 82.051 -6.438 -6.807 57 1HB LYS 9 2HB LYS 9 82.430 -8.271 -8.291 58 2HB LYS 9 3HB LYS 9 81.644 -7.013 -9.248 59 1HG LYS 9 2HG LYS 9 84.192 -6.272 -9.653 60 2HG LYS 9 3HG LYS 9 84.468 -7.987 -9.356 61 1HD LYS 9 2HD LYS 9 82.980 -8.606 -11.151 62 2HD LYS 9 3HD LYS 9 82.450 -6.937 -11.354 63 1HE LYS 9 2HE LYS 9 84.052 -6.847 -12.966 64 2HE LYS 9 3HE LYS 9 85.172 -6.680 -11.613 65 1HZ LYS 9 HZ1 LYS 9 84.912 -9.308 -11.676 66 2HZ LYS 9 HZ3 LYS 9 84.640 -8.978 -13.317 67 3HZ LYS 9 HZ2 LYS 9 86.088 -8.480 -12.582 68 H THR 10 HN THR 10 84.993 -5.404 -8.466 69 HA THR 10 HA THR 10 86.795 -7.198 -7.210 70 HB THR 10 HB THR 10 88.452 -5.233 -7.656 71 HG1 THR 10 HG1 THR 10 87.631 -3.575 -8.799 72 1HG2 THR 10 HG22 THR 10 86.792 -6.668 -9.739 73 2HG2 THR 10 HG21 THR 10 88.183 -5.678 -10.175 74 3HG2 THR 10 HG23 THR 10 88.397 -7.095 -9.146 75 H TRP 11 HN TRP 11 85.392 -4.166 -6.068 76 HA TRP 11 HA TRP 11 86.789 -4.639 -3.464 77 1HB TRP 11 2HB TRP 11 86.168 -2.013 -3.326 78 2HB TRP 11 3HB TRP 11 87.704 -2.607 -3.966 79 HD1 TRP 11 HD1 TRP 11 87.600 -3.166 -6.728 80 HE1 TRP 11 HE1 TRP 11 86.549 -1.728 -8.581 81 HE3 TRP 11 HE3 TRP 11 84.441 -0.338 -3.916 82 HZ2 TRP 11 HZ2 TRP 11 84.618 0.389 -8.827 83 HZ3 TRP 11 HZ3 TRP 11 83.007 1.386 -4.970 84 HH2 TRP 11 HH2 TRP 11 83.090 1.752 -7.424 85 H ASN 12 HN ASN 12 83.725 -4.092 -5.059 86 HA ASN 12 HA ASN 12 82.395 -3.491 -2.485 87 1HB ASN 12 2HB ASN 12 81.717 -2.338 -4.621 88 2HB ASN 12 3HB ASN 12 81.115 -3.892 -5.200 89 1HD2 ASN 12 HD22 ASN 12 78.017 -3.061 -3.717 90 2HD2 ASN 12 HD21 ASN 12 78.854 -3.430 -5.148 91 H VAL 13 HN VAL 13 81.747 -5.123 -1.198 92 HA VAL 13 HA VAL 13 81.329 -7.802 -2.420 93 HB VAL 13 HB VAL 13 82.840 -7.480 -0.398 94 1HG1 VAL 13 HG11 VAL 13 80.805 -5.922 0.519 95 2HG1 VAL 13 HG13 VAL 13 80.454 -7.434 1.355 96 3HG1 VAL 13 HG12 VAL 13 82.023 -6.653 1.564 97 1HG2 VAL 13 HG22 VAL 13 81.151 -9.553 -1.074 98 2HG2 VAL 13 HG21 VAL 13 82.379 -9.631 0.188 99 3HG2 VAL 13 HG23 VAL 13 80.709 -9.253 0.606 100 H GLY 14 HN GLY 14 79.537 -5.109 -1.574 101 1HA GLY 14 2HA GLY 14 77.198 -4.830 -1.522 102 2HA GLY 14 3HA GLY 14 77.032 -6.559 -1.826 103 H SER 15 HN SER 15 75.525 -7.051 -0.193 104 HA SER 15 HA SER 15 75.999 -6.085 2.540 105 1HB SER 15 2HB SER 15 73.945 -8.018 1.422 106 2HB SER 15 3HB SER 15 74.013 -7.510 3.107 107 HG SER 15 HG SER 15 73.553 -5.933 0.798 108 H SER 16 HN SER 16 77.373 -7.100 3.906 109 HA SER 16 HA SER 16 77.648 -10.060 3.713 110 1HB SER 16 2HB SER 16 79.525 -9.118 2.438 111 2HB SER 16 3HB SER 16 79.947 -8.085 3.800 112 HG SER 16 HG SER 16 79.932 -10.925 3.726 113 H ASN 17 HN ASN 17 78.200 -11.050 5.718 114 HA ASN 17 HA ASN 17 77.533 -9.479 8.075 115 1HB ASN 17 2HB ASN 17 77.009 -11.935 7.800 116 2HB ASN 17 3HB ASN 17 78.731 -12.263 7.980 117 1HD2 ASN 17 HD22 ASN 17 77.888 -10.329 11.348 118 2HD2 ASN 17 HD21 ASN 17 78.217 -9.578 9.862 119 H ARG 18 HN ARG 18 78.936 -8.513 9.475 120 HA ARG 18 HA ARG 18 81.604 -7.935 8.690 121 1HB ARG 18 2HB ARG 18 80.091 -7.635 11.279 122 2HB ARG 18 3HB ARG 18 81.799 -7.197 11.172 123 1HG ARG 18 2HG ARG 18 81.398 -5.474 9.646 124 2HG ARG 18 3HG ARG 18 79.899 -6.202 9.074 125 1HD ARG 18 2HD ARG 18 79.645 -4.124 10.539 126 2HD ARG 18 3HD ARG 18 78.701 -5.531 11.011 127 HE ARG 18 HE ARG 18 81.077 -5.754 12.464 128 1HH1 ARG 18 HH21 ARG 18 78.642 -3.380 11.948 129 2HH1 ARG 18 HH22 ARG 18 78.759 -2.706 13.539 130 1HH2 ARG 18 HH11 ARG 18 81.228 -4.910 14.580 131 2HH2 ARG 18 HH12 ARG 18 80.209 -3.586 15.036 132 H ASN 19 HN ASN 19 80.309 -10.528 10.728 133 HA ASN 19 HA ASN 19 82.800 -11.360 11.851 134 1HB ASN 19 2HB ASN 19 81.748 -13.456 12.319 135 2HB ASN 19 3HB ASN 19 80.460 -12.254 12.426 136 1HD2 ASN 19 HD22 ASN 19 79.771 -15.241 10.014 137 2HD2 ASN 19 HD21 ASN 19 80.691 -15.269 11.441 138 H LYS 20 HN LYS 20 81.162 -12.290 8.803 139 HA LYS 20 HA LYS 20 83.229 -14.074 7.913 140 1HB LYS 20 2HB LYS 20 80.923 -13.979 6.935 141 2HB LYS 20 3HB LYS 20 81.341 -12.431 6.197 142 1HG LYS 20 2HG LYS 20 83.164 -13.489 4.945 143 2HG LYS 20 3HG LYS 20 82.825 -15.034 5.728 144 1HD LYS 20 2HD LYS 20 81.042 -15.459 4.396 145 2HD LYS 20 3HD LYS 20 80.470 -13.793 4.479 146 1HE LYS 20 2HE LYS 20 82.145 -13.110 2.826 147 2HE LYS 20 3HE LYS 20 82.781 -14.754 2.766 148 1HZ LYS 20 HZ3 LYS 20 80.000 -13.970 2.076 149 2HZ LYS 20 HZ2 LYS 20 81.230 -14.298 0.951 150 3HZ LYS 20 HZ1 LYS 20 80.652 -15.531 1.967 151 H ALA 21 HN ALA 21 82.678 -10.600 7.468 152 HA ALA 21 HA ALA 21 84.790 -10.095 5.630 153 1HB ALA 21 HB1 ALA 21 82.870 -8.561 6.682 154 2HB ALA 21 HB3 ALA 21 84.185 -8.092 7.762 155 3HB ALA 21 HB2 ALA 21 84.347 -7.860 6.022 156 H GLU 22 HN GLU 22 84.780 -10.372 9.174 157 HA GLU 22 HA GLU 22 87.423 -9.454 9.676 158 1HB GLU 22 2HB GLU 22 85.786 -11.604 11.068 159 2HB GLU 22 3HB GLU 22 87.337 -11.021 11.668 160 1HG GLU 22 2HG GLU 22 86.470 -8.765 11.891 161 2HG GLU 22 3HG GLU 22 84.948 -9.236 11.131 162 H ASN 23 HN ASN 23 86.172 -12.619 8.670 163 HA ASN 23 HA ASN 23 88.638 -14.047 8.722 164 1HB ASN 23 2HB ASN 23 86.173 -14.328 6.987 165 2HB ASN 23 3HB ASN 23 87.538 -15.434 6.883 166 1HD2 ASN 23 HD22 ASN 23 85.002 -16.716 9.387 167 2HD2 ASN 23 HD21 ASN 23 84.855 -16.207 7.775 168 H LEU 24 HN LEU 24 87.052 -12.125 6.198 169 HA LEU 24 HA LEU 24 89.085 -12.471 4.204 170 1HB LEU 24 2HB LEU 24 86.986 -10.338 4.654 171 2HB LEU 24 3HB LEU 24 88.013 -10.400 3.218 172 HG LEU 24 HG LEU 24 86.267 -12.690 4.161 173 1HD1 LEU 24 HD13 LEU 24 85.638 -10.290 2.620 174 2HD1 LEU 24 HD12 LEU 24 85.295 -11.770 1.723 175 3HD1 LEU 24 HD11 LEU 24 84.554 -11.502 3.300 176 1HD2 LEU 24 HD23 LEU 24 88.269 -12.294 2.015 177 2HD2 LEU 24 HD22 LEU 24 87.729 -13.783 2.794 178 3HD2 LEU 24 HD21 LEU 24 86.766 -13.064 1.503 179 H LEU 25 HN LEU 25 88.677 -10.238 6.908 180 HA LEU 25 HA LEU 25 91.022 -8.651 6.026 181 1HB LEU 25 2HB LEU 25 89.241 -8.439 8.469 182 2HB LEU 25 3HB LEU 25 90.549 -7.326 8.077 183 HG LEU 25 HG LEU 25 88.500 -7.866 5.970 184 1HD1 LEU 25 HD13 LEU 25 87.305 -7.454 8.198 185 2HD1 LEU 25 HD12 LEU 25 88.013 -5.839 8.159 186 3HD1 LEU 25 HD11 LEU 25 86.906 -6.351 6.884 187 1HD2 LEU 25 HD23 LEU 25 90.342 -5.636 6.807 188 2HD2 LEU 25 HD22 LEU 25 90.126 -6.384 5.224 189 3HD2 LEU 25 HD21 LEU 25 88.916 -5.265 5.838 190 H ARG 26 HN ARG 26 90.511 -11.494 7.659 191 HA ARG 26 HA ARG 26 92.691 -11.114 9.593 192 1HB ARG 26 2HB ARG 26 91.192 -12.455 10.686 193 2HB ARG 26 3HB ARG 26 90.427 -12.963 9.185 194 1HG ARG 26 2HG ARG 26 91.449 -14.882 10.236 195 2HG ARG 26 3HG ARG 26 92.343 -14.490 8.772 196 1HD ARG 26 2HD ARG 26 93.921 -13.138 10.262 197 2HD ARG 26 3HD ARG 26 93.115 -13.883 11.637 198 HE ARG 26 HE ARG 26 93.851 -16.016 9.997 199 1HH1 ARG 26 HH21 ARG 26 95.344 -13.323 11.525 200 2HH1 ARG 26 HH22 ARG 26 96.878 -14.104 11.718 201 1HH2 ARG 26 HH11 ARG 26 95.857 -17.060 10.216 202 2HH2 ARG 26 HH12 ARG 26 97.171 -16.220 10.967 203 H GLY 27 HN GLY 27 94.750 -11.631 9.072 204 1HA GLY 27 2HA GLY 27 96.564 -12.659 7.990 205 2HA GLY 27 3HA GLY 27 95.439 -13.876 7.384 206 H LYS 28 HN LYS 28 94.801 -10.492 6.800 207 HA LYS 28 HA LYS 28 95.409 -10.974 3.921 208 1HB LYS 28 2HB LYS 28 93.027 -10.324 4.740 209 2HB LYS 28 3HB LYS 28 93.707 -8.719 4.988 210 1HG LYS 28 2HG LYS 28 92.830 -8.604 2.799 211 2HG LYS 28 3HG LYS 28 94.544 -8.919 2.532 212 1HD LYS 28 2HD LYS 28 94.043 -11.344 2.302 213 2HD LYS 28 3HD LYS 28 92.331 -10.997 2.531 214 1HE LYS 28 2HE LYS 28 92.265 -9.672 0.516 215 2HE LYS 28 3HE LYS 28 94.017 -9.785 0.326 216 1HZ LYS 28 HZ1 LYS 28 93.100 -12.369 0.576 217 2HZ LYS 28 HZ3 LYS 28 92.009 -11.610 -0.477 218 3HZ LYS 28 HZ2 LYS 28 93.669 -11.616 -0.837 219 H ARG 29 HN ARG 29 96.813 -9.589 2.864 220 HA ARG 29 HA ARG 29 98.700 -8.107 4.471 221 1HB ARG 29 2HB ARG 29 98.321 -8.205 1.465 222 2HB ARG 29 3HB ARG 29 99.694 -7.455 2.280 223 1HG ARG 29 2HG ARG 29 100.057 -9.725 3.425 224 2HG ARG 29 3HG ARG 29 98.928 -10.379 2.237 225 1HD ARG 29 2HD ARG 29 100.342 -9.583 0.406 226 2HD ARG 29 3HD ARG 29 101.447 -8.835 1.559 227 HE ARG 29 HE ARG 29 101.385 -11.499 2.334 228 1HH1 ARG 29 HH21 ARG 29 101.914 -9.770 -0.598 229 2HH1 ARG 29 HH22 ARG 29 103.050 -10.913 -1.231 230 1HH2 ARG 29 HH11 ARG 29 102.848 -13.031 1.515 231 2HH2 ARG 29 HH12 ARG 29 103.577 -12.765 -0.035 232 H ASP 30 HN ASP 30 99.085 -5.881 4.523 233 HA ASP 30 HA ASP 30 96.854 -4.130 4.676 234 1HB ASP 30 2HB ASP 30 99.094 -3.818 5.771 235 2HB ASP 30 3HB ASP 30 99.749 -3.371 4.195 236 H GLY 31 HN GLY 31 96.033 -2.604 3.240 237 1HA GLY 31 2HA GLY 31 96.169 -1.291 1.179 238 2HA GLY 31 3HA GLY 31 97.205 -2.547 0.500 239 H THR 32 HN THR 32 95.366 -4.653 1.689 240 HA THR 32 HA THR 32 93.568 -4.733 -0.620 241 HB THR 32 HB THR 32 93.766 -6.624 1.737 242 HG1 THR 32 HG1 THR 32 95.420 -7.405 0.731 243 1HG2 THR 32 HG21 THR 32 91.955 -6.408 -0.518 244 2HG2 THR 32 HG23 THR 32 92.854 -7.923 -0.581 245 3HG2 THR 32 HG22 THR 32 91.901 -7.521 0.848 246 H PHE 33 HN PHE 33 91.490 -3.895 -0.589 247 HA PHE 33 HA PHE 33 90.153 -3.822 2.060 248 1HB PHE 33 2HB PHE 33 89.821 -1.569 2.116 249 2HB PHE 33 3HB PHE 33 91.314 -1.576 1.186 250 HD1 PHE 33 HD1 PHE 33 91.028 -1.683 -1.446 251 HD2 PHE 33 HD2 PHE 33 87.921 -0.570 1.298 252 HE1 PHE 33 HE1 PHE 33 89.812 -0.516 -3.274 253 HE2 PHE 33 HE2 PHE 33 86.730 0.595 -0.535 254 HZ PHE 33 HZ PHE 33 87.660 0.616 -2.800 255 H LEU 34 HN LEU 34 87.832 -3.309 1.916 256 HA LEU 34 HA LEU 34 86.613 -4.008 -0.713 257 1HB LEU 34 2HB LEU 34 85.050 -5.562 0.375 258 2HB LEU 34 3HB LEU 34 86.707 -6.091 0.628 259 HG LEU 34 HG LEU 34 85.485 -4.294 2.688 260 1HD1 LEU 34 HD11 LEU 34 84.578 -7.057 2.044 261 2HD1 LEU 34 HD13 LEU 34 84.866 -6.699 3.747 262 3HD1 LEU 34 HD12 LEU 34 83.706 -5.742 2.829 263 1HD2 LEU 34 HD23 LEU 34 87.480 -6.570 2.626 264 2HD2 LEU 34 HD22 LEU 34 87.772 -4.881 3.045 265 3HD2 LEU 34 HD21 LEU 34 86.851 -5.915 4.138 266 H VAL 35 HN VAL 35 84.347 -3.318 -0.871 267 HA VAL 35 HA VAL 35 83.727 -1.096 1.018 268 HB VAL 35 HB VAL 35 82.995 -1.484 -1.900 269 1HG1 VAL 35 HG11 VAL 35 81.553 -0.087 0.181 270 2HG1 VAL 35 HG13 VAL 35 82.203 1.074 -0.974 271 3HG1 VAL 35 HG12 VAL 35 81.157 -0.233 -1.531 272 1HG2 VAL 35 HG21 VAL 35 84.584 0.586 -0.365 273 2HG2 VAL 35 HG23 VAL 35 85.213 -0.570 -1.544 274 3HG2 VAL 35 HG22 VAL 35 84.149 0.737 -2.064 275 H ARG 36 HN ARG 36 81.847 -1.143 2.152 276 HA ARG 36 HA ARG 36 79.800 -3.208 1.431 277 1HB ARG 36 2HB ARG 36 80.904 -2.537 4.169 278 2HB ARG 36 3HB ARG 36 79.419 -3.459 3.918 279 1HG ARG 36 2HG ARG 36 80.704 -5.072 2.536 280 2HG ARG 36 3HG ARG 36 82.176 -4.187 2.928 281 1HD ARG 36 2HD ARG 36 80.345 -5.596 4.877 282 2HD ARG 36 3HD ARG 36 81.988 -6.061 4.453 283 HE ARG 36 HE ARG 36 82.129 -3.406 5.397 284 1HH1 ARG 36 HH21 ARG 36 81.221 -6.544 6.452 285 2HH1 ARG 36 HH22 ARG 36 81.502 -6.219 8.130 286 1HH2 ARG 36 HH11 ARG 36 82.491 -2.929 7.584 287 2HH2 ARG 36 HH12 ARG 36 82.186 -4.146 8.779 288 H GLU 37 HN GLU 37 77.758 -2.671 2.976 289 HA GLU 37 HA GLU 37 77.260 0.217 2.536 290 1HB GLU 37 2HB GLU 37 74.842 -0.482 2.709 291 2HB GLU 37 3HB GLU 37 75.702 -1.215 1.355 292 1HG GLU 37 2HG GLU 37 75.896 -3.302 2.473 293 2HG GLU 37 3HG GLU 37 75.486 -2.593 4.035 294 H SER 38 HN SER 38 75.582 1.083 4.245 295 HA SER 38 HA SER 38 76.752 0.568 6.891 296 1HB SER 38 2HB SER 38 74.361 2.280 6.104 297 2HB SER 38 3HB SER 38 75.152 2.279 7.680 298 HG SER 38 HG SER 38 76.611 3.550 6.880 299 H SER 39 HN SER 39 75.217 -1.316 5.122 300 HA SER 39 HA SER 39 73.819 -3.119 5.359 301 1HB SER 39 2HB SER 39 75.120 -3.440 7.453 302 2HB SER 39 3HB SER 39 73.984 -2.404 8.310 303 HG SER 39 HG SER 39 73.454 -4.598 8.565 304 H LYS 40 HN LYS 40 71.563 -3.468 5.323 305 HA LYS 40 HA LYS 40 69.296 -2.865 5.308 306 1HB LYS 40 2HB LYS 40 70.138 -1.246 7.735 307 2HB LYS 40 3HB LYS 40 68.481 -1.649 7.293 308 1HG LYS 40 2HG LYS 40 69.094 -4.076 7.428 309 2HG LYS 40 3HG LYS 40 70.681 -3.595 8.036 310 1HD LYS 40 2HD LYS 40 69.704 -2.542 9.971 311 2HD LYS 40 3HD LYS 40 68.076 -2.746 9.324 312 1HE LYS 40 2HE LYS 40 68.116 -4.586 10.691 313 2HE LYS 40 3HE LYS 40 68.863 -5.313 9.269 314 1HZ LYS 40 HZ3 LYS 40 71.041 -4.510 10.280 315 2HZ LYS 40 HZ2 LYS 40 70.168 -4.306 11.722 316 3HZ LYS 40 HZ1 LYS 40 70.287 -5.843 11.012 317 H GLN 41 HN GLN 41 71.217 -1.318 3.754 318 HA GLN 41 HA GLN 41 71.287 0.656 2.495 319 1HB GLN 41 2HB GLN 41 68.916 0.034 2.048 320 2HB GLN 41 3HB GLN 41 68.424 0.953 3.471 321 1HG GLN 41 2HG GLN 41 69.349 3.004 2.480 322 2HG GLN 41 3HG GLN 41 69.883 2.094 1.068 323 1HE2 GLN 41 HE22 GLN 41 66.539 3.655 0.337 324 2HE2 GLN 41 HE21 GLN 41 68.054 4.264 0.800 325 H GLY 42 HN GLY 42 71.725 2.890 2.783 326 1HA GLY 42 2HA GLY 42 71.031 4.737 4.621 327 2HA GLY 42 3HA GLY 42 72.068 3.698 5.601 328 H CYS 43 HN CYS 43 74.284 3.177 4.389 329 HA CYS 43 HA CYS 43 75.175 5.331 2.609 330 1HB CYS 43 2HB CYS 43 76.367 5.091 5.389 331 2HB CYS 43 3HB CYS 43 76.971 6.130 4.107 332 HG CYS 43 HG CYS 43 74.739 7.504 4.241 333 H TYR 44 HN TYR 44 77.866 5.033 2.665 334 HA TYR 44 HA TYR 44 78.232 2.098 2.217 335 1HB TYR 44 2HB TYR 44 79.546 4.425 0.779 336 2HB TYR 44 3HB TYR 44 79.831 2.717 0.440 337 HD1 TYR 44 HD2 TYR 44 77.413 5.488 0.202 338 HD2 TYR 44 HD1 TYR 44 78.134 1.338 -0.645 339 HE1 TYR 44 HE2 TYR 44 75.434 5.451 -1.293 340 HE2 TYR 44 HE1 TYR 44 76.154 1.299 -2.139 341 HH TYR 44 HH TYR 44 74.206 4.235 -2.695 342 H ALA 45 HN ALA 45 80.444 1.297 2.618 343 HA ALA 45 HA ALA 45 82.177 3.033 4.275 344 1HB ALA 45 HB1 ALA 45 80.880 0.472 5.226 345 2HB ALA 45 HB3 ALA 45 82.318 1.147 5.990 346 3HB ALA 45 HB2 ALA 45 80.810 2.064 5.981 347 H CYS 46 HN CYS 46 84.322 2.592 3.855 348 HA CYS 46 HA CYS 46 84.898 0.186 2.203 349 1HB CYS 46 2HB CYS 46 86.982 1.347 1.570 350 2HB CYS 46 3HB CYS 46 85.574 2.348 1.221 351 HG CYS 46 HG CYS 46 87.665 2.897 3.433 352 H SER 47 HN SER 47 85.717 -1.501 3.296 353 HA SER 47 HA SER 47 87.102 -0.997 5.879 354 1HB SER 47 2HB SER 47 86.228 -3.639 4.673 355 2HB SER 47 3HB SER 47 86.743 -3.354 6.333 356 HG SER 47 HG SER 47 84.923 -1.946 6.534 357 H VAL 48 HN VAL 48 89.301 -1.147 5.965 358 HA VAL 48 HA VAL 48 90.672 -2.643 3.772 359 HB VAL 48 HB VAL 48 90.930 -0.235 3.385 360 1HG1 VAL 48 HG13 VAL 48 91.312 -0.270 6.288 361 2HG1 VAL 48 HG12 VAL 48 92.521 0.697 5.443 362 3HG1 VAL 48 HG11 VAL 48 90.805 1.055 5.241 363 1HG2 VAL 48 HG23 VAL 48 92.895 -1.909 3.148 364 2HG2 VAL 48 HG22 VAL 48 93.276 -0.186 3.158 365 3HG2 VAL 48 HG21 VAL 48 93.519 -1.154 4.613 366 H VAL 49 HN VAL 49 92.934 -3.214 4.362 367 HA VAL 49 HA VAL 49 93.112 -3.977 7.250 368 HB VAL 49 HB VAL 49 94.676 -5.206 4.971 369 1HG1 VAL 49 HG13 VAL 49 95.274 -5.319 7.545 370 2HG1 VAL 49 HG12 VAL 49 93.985 -6.521 7.574 371 3HG1 VAL 49 HG11 VAL 49 95.395 -6.765 6.544 372 1HG2 VAL 49 HG22 VAL 49 91.985 -5.383 5.141 373 2HG2 VAL 49 HG21 VAL 49 92.992 -6.701 4.549 374 3HG2 VAL 49 HG23 VAL 49 92.440 -6.697 6.226 375 H VAL 50 HN VAL 50 94.917 -3.255 8.389 376 HA VAL 50 HA VAL 50 96.755 -1.545 6.788 377 HB VAL 50 HB VAL 50 95.761 -1.312 9.634 378 1HG1 VAL 50 HG11 VAL 50 98.229 -0.319 8.379 379 2HG1 VAL 50 HG13 VAL 50 97.252 0.946 9.125 380 3HG1 VAL 50 HG12 VAL 50 97.802 -0.428 10.088 381 1HG2 VAL 50 HG21 VAL 50 95.498 0.261 7.082 382 2HG2 VAL 50 HG23 VAL 50 94.213 -0.385 8.098 383 3HG2 VAL 50 HG22 VAL 50 95.161 0.998 8.647 384 H ASP 51 HN ASP 51 98.959 -1.618 7.229 385 HA ASP 51 HA ASP 51 100.141 -4.092 7.744 386 1HB ASP 51 2HB ASP 51 101.266 -2.045 6.754 387 2HB ASP 51 3HB ASP 51 101.409 -1.420 8.399 388 H GLY 52 HN GLY 52 98.643 -2.002 9.862 389 1HA GLY 52 2HA GLY 52 100.059 -3.125 12.219 390 2HA GLY 52 3HA GLY 52 99.038 -1.689 12.244 391 H GLU 53 HN GLU 53 96.690 -2.520 11.088 392 HA GLU 53 HA GLU 53 95.872 -5.101 12.213 393 1HB GLU 53 2HB GLU 53 94.860 -2.515 13.445 394 2HB GLU 53 3HB GLU 53 94.153 -4.097 13.740 395 1HG GLU 53 2HG GLU 53 96.971 -3.222 14.442 396 2HG GLU 53 3HG GLU 53 95.655 -3.539 15.565 397 H VAL 54 HN VAL 54 93.253 -5.050 12.185 398 HA VAL 54 HA VAL 54 92.531 -4.236 9.416 399 HB VAL 54 HB VAL 54 91.879 -6.475 9.805 400 1HG1 VAL 54 HG13 VAL 54 90.930 -5.485 12.512 401 2HG1 VAL 54 HG12 VAL 54 90.578 -7.097 11.890 402 3HG1 VAL 54 HG11 VAL 54 92.248 -6.613 12.192 403 1HG2 VAL 54 HG22 VAL 54 90.039 -4.946 8.948 404 2HG2 VAL 54 HG21 VAL 54 89.464 -6.421 9.725 405 3HG2 VAL 54 HG23 VAL 54 89.416 -4.891 10.596 406 H LYS 55 HN LYS 55 91.239 -2.456 9.064 407 HA LYS 55 HA LYS 55 89.640 -1.473 11.395 408 1HB LYS 55 2HB LYS 55 91.317 0.135 9.461 409 2HB LYS 55 3HB LYS 55 90.112 0.855 10.530 410 1HG LYS 55 2HG LYS 55 91.920 1.015 11.932 411 2HG LYS 55 3HG LYS 55 91.434 -0.632 12.335 412 1HD LYS 55 2HD LYS 55 93.068 -1.575 10.865 413 2HD LYS 55 3HD LYS 55 93.403 -0.002 10.131 414 1HE LYS 55 2HE LYS 55 94.468 0.812 12.096 415 2HE LYS 55 3HE LYS 55 93.818 -0.493 13.087 416 1HZ LYS 55 HZ1 LYS 55 95.146 -1.979 11.463 417 2HZ LYS 55 HZ3 LYS 55 96.019 -0.564 11.134 418 3HZ LYS 55 HZ2 LYS 55 95.965 -1.179 12.717 419 H HIS 56 HN HIS 56 87.655 -0.495 10.916 420 HA HIS 56 HA HIS 56 86.628 -1.031 8.166 421 1HB HIS 56 2HB HIS 56 85.236 -0.686 10.842 422 2HB HIS 56 3HB HIS 56 84.370 -0.749 9.309 423 HD1 HIS 56 HD1 HIS 56 85.946 -2.925 11.853 424 HD2 HIS 56 HD2 HIS 56 84.711 -3.271 7.890 425 HE1 HIS 56 HE1 HIS 56 85.880 -5.410 11.327 426 H CYS 57 HN CYS 57 87.180 0.923 7.068 427 HA CYS 57 HA CYS 57 86.659 3.495 8.392 428 1HB CYS 57 2HB CYS 57 87.607 2.811 5.598 429 2HB CYS 57 3HB CYS 57 87.401 4.460 6.188 430 HG CYS 57 HG CYS 57 89.177 3.801 8.112 431 H VAL 58 HN VAL 58 84.991 4.940 7.842 432 HA VAL 58 HA VAL 58 82.689 3.634 6.475 433 HB VAL 58 HB VAL 58 82.577 4.416 8.891 434 1HG1 VAL 58 HG11 VAL 58 83.820 6.564 8.411 435 2HG1 VAL 58 HG13 VAL 58 82.375 7.144 7.581 436 3HG1 VAL 58 HG12 VAL 58 82.316 6.782 9.306 437 1HG2 VAL 58 HG21 VAL 58 80.636 5.501 6.830 438 2HG2 VAL 58 HG23 VAL 58 80.539 3.950 7.667 439 3HG2 VAL 58 HG22 VAL 58 80.305 5.451 8.562 440 H ILE 59 HN ILE 59 81.629 4.575 4.776 441 HA ILE 59 HA ILE 59 82.735 7.152 3.758 442 HB ILE 59 HB ILE 59 81.151 5.045 2.249 443 1HG1 ILE 59 HG12 ILE 59 83.365 4.184 2.877 444 2HG1 ILE 59 HG11 ILE 59 83.323 4.537 1.152 445 1HG2 ILE 59 HG22 ILE 59 81.025 7.451 1.471 446 2HG2 ILE 59 HG21 ILE 59 82.765 7.373 1.197 447 3HG2 ILE 59 HG23 ILE 59 81.681 6.320 0.287 448 1HD1 ILE 59 HD13 ILE 59 84.159 6.934 2.090 449 2HD1 ILE 59 HD12 ILE 59 84.845 5.874 3.321 450 3HD1 ILE 59 HD11 ILE 59 85.265 5.643 1.624 451 H ASN 60 HN ASN 60 81.327 8.899 3.940 452 HA ASN 60 HA ASN 60 78.479 8.211 4.572 453 1HB ASN 60 2HB ASN 60 80.178 10.554 5.452 454 2HB ASN 60 3HB ASN 60 78.439 10.438 5.739 455 1HD2 ASN 60 HD22 ASN 60 79.089 7.315 7.734 456 2HD2 ASN 60 HD21 ASN 60 78.261 7.635 6.288 457 H LYS 61 HN LYS 61 76.996 8.840 3.131 458 HA LYS 61 HA LYS 61 77.775 10.942 1.162 459 1HB LYS 61 2HB LYS 61 77.232 8.677 0.247 460 2HB LYS 61 3HB LYS 61 75.612 8.831 0.928 461 1HG LYS 61 2HG LYS 61 75.233 10.862 -0.422 462 2HG LYS 61 3HG LYS 61 76.850 10.710 -1.106 463 1HD LYS 61 2HD LYS 61 76.263 8.564 -2.119 464 2HD LYS 61 3HD LYS 61 74.669 8.617 -1.364 465 1HE LYS 61 2HE LYS 61 74.111 10.646 -2.616 466 2HE LYS 61 3HE LYS 61 75.721 10.666 -3.337 467 1HZ LYS 61 HZ3 LYS 61 74.274 8.179 -3.618 468 2HZ LYS 61 HZ2 LYS 61 73.590 9.496 -4.444 469 3HZ LYS 61 HZ1 LYS 61 75.195 9.034 -4.756 470 H THR 62 HN THR 62 76.768 12.882 1.426 471 HA THR 62 HA THR 62 73.984 12.889 2.468 472 HB THR 62 HB THR 62 74.500 14.723 4.023 473 HG1 THR 62 HG1 THR 62 77.212 14.356 3.882 474 1HG2 THR 62 HG22 THR 62 74.655 12.389 4.810 475 2HG2 THR 62 HG21 THR 62 76.358 12.356 4.357 476 3HG2 THR 62 HG23 THR 62 75.809 13.427 5.648 477 H ALA 63 HN ALA 63 72.988 15.125 2.146 478 HA ALA 63 HA ALA 63 72.919 15.950 -0.478 479 1HB ALA 63 HB1 ALA 63 71.759 16.854 1.776 480 2HB ALA 63 HB3 ALA 63 72.934 18.146 1.545 481 3HB ALA 63 HB2 ALA 63 71.753 17.794 0.283 482 H THR 64 HN THR 64 75.523 16.313 1.726 483 HA THR 64 HA THR 64 77.163 17.564 -0.373 484 HB THR 64 HB THR 64 76.826 18.851 2.352 485 HG1 THR 64 HG1 THR 64 75.451 20.103 1.401 486 1HG2 THR 64 HG21 THR 64 78.960 18.917 0.464 487 2HG2 THR 64 HG23 THR 64 78.161 20.486 0.434 488 3HG2 THR 64 HG22 THR 64 78.795 19.846 1.950 489 H GLY 65 HN GLY 65 77.235 14.949 0.810 490 1HA GLY 65 2HA GLY 65 79.940 15.094 2.019 491 2HA GLY 65 3HA GLY 65 78.691 14.231 2.915 492 H TYR 66 HN TYR 66 80.876 12.867 2.214 493 HA TYR 66 HA TYR 66 79.864 10.686 0.618 494 1HB TYR 66 2HB TYR 66 82.000 12.499 -0.530 495 2HB TYR 66 3HB TYR 66 81.846 10.815 -1.023 496 HD1 TYR 66 HD1 TYR 66 79.699 10.022 -2.079 497 HD2 TYR 66 HD2 TYR 66 80.501 14.175 -1.330 498 HE1 TYR 66 HE1 TYR 66 77.915 10.655 -3.682 499 HE2 TYR 66 HE2 TYR 66 78.721 14.808 -2.937 500 HH TYR 66 HH TYR 66 76.517 12.468 -4.262 501 H GLY 67 HN GLY 67 82.155 12.299 2.560 502 1HA GLY 67 2HA GLY 67 82.997 10.207 4.153 503 2HA GLY 67 3HA GLY 67 84.107 10.152 2.779 504 H PHE 68 HN PHE 68 85.458 12.031 2.373 505 HA PHE 68 HA PHE 68 85.867 13.659 4.838 506 1HB PHE 68 2HB PHE 68 87.706 13.132 2.485 507 2HB PHE 68 3HB PHE 68 88.107 14.148 3.870 508 HD1 PHE 68 HD1 PHE 68 87.426 12.902 6.227 509 HD2 PHE 68 HD2 PHE 68 88.590 10.983 2.565 510 HE1 PHE 68 HE1 PHE 68 88.135 10.899 7.505 511 HE2 PHE 68 HE2 PHE 68 89.299 8.976 3.843 512 HZ PHE 68 HZ PHE 68 89.072 8.937 6.314 513 H ALA 69 HN ALA 69 85.708 15.905 4.730 514 HA ALA 69 HA ALA 69 85.082 17.077 2.046 515 1HB ALA 69 HB3 ALA 69 83.769 17.734 4.699 516 2HB ALA 69 HB2 ALA 69 83.455 18.562 3.173 517 3HB ALA 69 HB1 ALA 69 83.021 16.863 3.361 518 H GLU 70 HN GLU 70 87.392 17.049 4.324 519 HA GLU 70 HA GLU 70 87.772 20.006 4.291 520 1HB GLU 70 2HB GLU 70 89.033 17.870 6.028 521 2HB GLU 70 3HB GLU 70 89.426 19.588 6.110 522 1HG GLU 70 2HG GLU 70 87.781 19.494 7.733 523 2HG GLU 70 3HG GLU 70 86.783 19.819 6.317 524 HA PRO 71 HA PRO 71 91.744 18.222 2.359 525 1HB PRO 71 2HB PRO 71 91.732 15.701 1.418 526 2HB PRO 71 3HB PRO 71 91.993 16.047 3.139 527 1HG PRO 71 2HG PRO 71 89.594 14.991 1.768 528 2HG PRO 71 3HG PRO 71 90.186 14.688 3.408 529 1HD PRO 71 2HD PRO 71 88.122 16.495 2.666 530 2HD PRO 71 3HD PRO 71 88.890 16.359 4.264 531 H TYR 72 HN TYR 72 89.176 16.367 0.671 532 HA TYR 72 HA TYR 72 89.779 18.001 -1.761 533 1HB TYR 72 2HB TYR 72 88.912 15.099 -1.562 534 2HB TYR 72 3HB TYR 72 88.973 16.007 -3.071 535 HD1 TYR 72 HD1 TYR 72 91.015 14.582 -0.317 536 HD2 TYR 72 HD2 TYR 72 91.080 16.573 -4.127 537 HE1 TYR 72 HE1 TYR 72 93.442 14.095 -0.536 538 HE2 TYR 72 HE2 TYR 72 93.498 16.079 -4.344 539 HH TYR 72 HH TYR 72 95.363 15.490 -3.118 540 H ASN 73 HN ASN 73 87.717 18.108 0.575 541 HA ASN 73 HA ASN 73 85.505 18.833 0.804 542 1HB ASN 73 2HB ASN 73 85.739 19.291 -2.189 543 2HB ASN 73 3HB ASN 73 84.478 19.943 -1.144 544 1HD2 ASN 73 HD22 ASN 73 86.797 22.186 0.550 545 2HD2 ASN 73 HD21 ASN 73 85.529 21.122 0.924 546 H LEU 74 HN LEU 74 83.953 18.324 -1.995 547 HA LEU 74 HA LEU 74 82.958 15.675 -1.122 548 1HB LEU 74 2HB LEU 74 81.700 17.644 -3.065 549 2HB LEU 74 3HB LEU 74 80.950 16.192 -2.406 550 HG LEU 74 HG LEU 74 80.067 17.874 -1.060 551 1HD1 LEU 74 HD11 LEU 74 81.173 16.070 0.277 552 2HD1 LEU 74 HD13 LEU 74 82.585 17.118 0.441 553 3HD1 LEU 74 HD12 LEU 74 81.041 17.604 1.137 554 1HD2 LEU 74 HD21 LEU 74 82.509 19.253 -1.786 555 2HD2 LEU 74 HD23 LEU 74 80.974 19.924 -1.238 556 3HD2 LEU 74 HD22 LEU 74 82.186 19.424 -0.059 557 H TYR 75 HN TYR 75 84.074 14.144 -2.134 558 HA TYR 75 HA TYR 75 85.539 14.276 -4.514 559 1HB TYR 75 2HB TYR 75 84.019 11.880 -3.435 560 2HB TYR 75 3HB TYR 75 85.297 11.807 -4.650 561 HD1 TYR 75 HD1 TYR 75 87.648 12.491 -4.039 562 HD2 TYR 75 HD2 TYR 75 84.507 12.172 -1.126 563 HE1 TYR 75 HE1 TYR 75 89.337 12.468 -2.220 564 HE2 TYR 75 HE2 TYR 75 86.191 12.148 0.690 565 HH TYR 75 HH TYR 75 89.685 12.286 -0.041 566 H SER 76 HN SER 76 85.059 13.915 -6.695 567 HA SER 76 HA SER 76 82.544 14.808 -7.654 568 1HB SER 76 2HB SER 76 84.675 13.188 -9.070 569 2HB SER 76 3HB SER 76 83.330 13.990 -9.874 570 HG SER 76 HG SER 76 85.088 15.362 -9.905 571 H SER 77 HN SER 77 83.775 11.449 -7.374 572 HA SER 77 HA SER 77 80.970 10.517 -7.322 573 1HB SER 77 2HB SER 77 81.234 8.961 -9.162 574 2HB SER 77 3HB SER 77 81.639 10.574 -9.744 575 HG SER 77 HG SER 77 83.639 9.959 -10.009 576 H LEU 78 HN LEU 78 80.924 8.092 -6.940 577 HA LEU 78 HA LEU 78 82.617 7.472 -4.700 578 1HB LEU 78 2HB LEU 78 80.198 6.580 -5.642 579 2HB LEU 78 3HB LEU 78 81.254 5.217 -6.018 580 HG LEU 78 HG LEU 78 81.122 6.560 -3.310 581 1HD1 LEU 78 HD11 LEU 78 79.619 4.245 -4.505 582 2HD1 LEU 78 HD13 LEU 78 79.985 4.251 -2.779 583 3HD1 LEU 78 HD12 LEU 78 79.015 5.547 -3.480 584 1HD2 LEU 78 HD23 LEU 78 82.915 4.662 -4.523 585 2HD2 LEU 78 HD22 LEU 78 82.956 5.308 -2.881 586 3HD2 LEU 78 HD21 LEU 78 82.023 3.853 -3.237 587 H LYS 79 HN LYS 79 82.636 6.515 -8.122 588 HA LYS 79 HA LYS 79 84.616 4.473 -7.931 589 1HB LYS 79 2HB LYS 79 83.940 6.418 -10.152 590 2HB LYS 79 3HB LYS 79 85.094 5.097 -10.344 591 1HG LYS 79 2HG LYS 79 83.331 3.476 -9.717 592 2HG LYS 79 3HG LYS 79 82.178 4.803 -9.563 593 1HD LYS 79 2HD LYS 79 82.449 5.373 -11.915 594 2HD LYS 79 3HD LYS 79 83.706 4.149 -12.095 595 1HE LYS 79 2HE LYS 79 81.649 3.209 -12.942 596 2HE LYS 79 3HE LYS 79 82.010 2.415 -11.411 597 1HZ LYS 79 HZ2 LYS 79 80.529 4.662 -10.784 598 2HZ LYS 79 HZ1 LYS 79 79.752 3.968 -12.125 599 3HZ LYS 79 HZ3 LYS 79 80.015 3.044 -10.728 600 H GLU 80 HN GLU 80 84.865 7.990 -8.294 601 HA GLU 80 HA GLU 80 87.740 8.033 -8.492 602 1HB GLU 80 2HB GLU 80 86.218 9.921 -9.166 603 2HB GLU 80 3HB GLU 80 85.917 10.223 -7.455 604 1HG GLU 80 2HG GLU 80 88.233 10.742 -7.056 605 2HG GLU 80 3HG GLU 80 88.694 10.182 -8.665 606 H LEU 81 HN LEU 81 85.439 7.961 -5.839 607 HA LEU 81 HA LEU 81 87.184 8.731 -3.726 608 1HB LEU 81 2HB LEU 81 84.624 8.260 -3.670 609 2HB LEU 81 3HB LEU 81 85.083 6.575 -3.440 610 HG LEU 81 HG LEU 81 84.685 7.727 -1.278 611 1HD1 LEU 81 HD11 LEU 81 86.620 5.963 -1.827 612 2HD1 LEU 81 HD13 LEU 81 87.639 7.312 -1.325 613 3HD1 LEU 81 HD12 LEU 81 86.429 6.661 -0.220 614 1HD2 LEU 81 HD22 LEU 81 85.716 9.930 -2.380 615 2HD2 LEU 81 HD21 LEU 81 85.785 9.661 -0.638 616 3HD2 LEU 81 HD23 LEU 81 87.193 9.317 -1.642 617 H VAL 82 HN VAL 82 86.509 5.520 -5.157 618 HA VAL 82 HA VAL 82 88.333 4.107 -3.448 619 HB VAL 82 HB VAL 82 87.377 3.459 -6.258 620 1HG1 VAL 82 HG11 VAL 82 88.918 1.875 -4.196 621 2HG1 VAL 82 HG13 VAL 82 87.983 1.091 -5.469 622 3HG1 VAL 82 HG12 VAL 82 89.332 2.148 -5.889 623 1HG2 VAL 82 HG22 VAL 82 86.455 2.526 -3.520 624 2HG2 VAL 82 HG21 VAL 82 85.580 3.645 -4.565 625 3HG2 VAL 82 HG23 VAL 82 85.807 1.968 -5.063 626 H LEU 83 HN LEU 83 88.696 5.551 -6.688 627 HA LEU 83 HA LEU 83 91.466 4.832 -7.018 628 1HB LEU 83 2HB LEU 83 89.749 6.995 -8.272 629 2HB LEU 83 3HB LEU 83 91.398 6.637 -8.787 630 HG LEU 83 HG LEU 83 89.503 4.342 -8.588 631 1HD1 LEU 83 HD13 LEU 83 89.237 6.636 -10.489 632 2HD1 LEU 83 HD12 LEU 83 89.030 5.007 -11.131 633 3HD1 LEU 83 HD11 LEU 83 87.991 5.576 -9.825 634 1HD2 LEU 83 HD22 LEU 83 92.023 4.419 -9.290 635 2HD2 LEU 83 HD21 LEU 83 90.902 3.431 -10.227 636 3HD2 LEU 83 HD23 LEU 83 91.393 5.014 -10.826 637 H HIS 84 HN HIS 84 89.846 7.787 -5.845 638 HA HIS 84 HA HIS 84 92.188 9.366 -5.530 639 1HB HIS 84 2HB HIS 84 89.910 10.297 -5.405 640 2HB HIS 84 3HB HIS 84 89.634 9.430 -3.894 641 HD1 HIS 84 HD1 HIS 84 91.038 10.201 -1.803 642 HD2 HIS 84 HD2 HIS 84 91.458 12.653 -5.150 643 HE1 HIS 84 HE1 HIS 84 92.121 12.340 -0.993 644 H TYR 85 HN TYR 85 90.603 7.130 -3.239 645 HA TYR 85 HA TYR 85 92.442 7.694 -1.084 646 1HB TYR 85 2HB TYR 85 90.558 5.394 -1.643 647 2HB TYR 85 3HB TYR 85 91.604 5.419 -0.227 648 HD1 TYR 85 HD2 TYR 85 90.400 8.630 -1.497 649 HD2 TYR 85 HD1 TYR 85 89.553 5.416 1.223 650 HE1 TYR 85 HE2 TYR 85 88.772 10.060 -0.312 651 HE2 TYR 85 HE1 TYR 85 87.920 6.853 2.409 652 HH TYR 85 HH TYR 85 86.744 8.782 2.288 653 H GLN 86 HN GLN 86 92.582 5.655 -3.898 654 HA GLN 86 HA GLN 86 94.594 3.821 -3.039 655 1HB GLN 86 2HB GLN 86 93.259 3.580 -5.140 656 2HB GLN 86 3HB GLN 86 94.140 4.940 -5.832 657 1HG GLN 86 2HG GLN 86 95.736 2.667 -4.718 658 2HG GLN 86 3HG GLN 86 94.915 2.423 -6.261 659 1HE2 GLN 86 HE22 GLN 86 97.703 3.960 -7.801 660 2HE2 GLN 86 HE21 GLN 86 96.739 2.569 -7.672 661 H HIS 87 HN HIS 87 94.781 7.141 -4.283 662 HA HIS 87 HA HIS 87 97.746 7.021 -4.246 663 1HB HIS 87 2HB HIS 87 95.891 9.284 -5.032 664 2HB HIS 87 3HB HIS 87 97.637 9.237 -5.281 665 HD1 HIS 87 HD1 HIS 87 98.310 6.745 -6.588 666 HD2 HIS 87 HD2 HIS 87 94.615 8.522 -7.343 667 HE1 HIS 87 HE1 HIS 87 97.529 5.854 -8.828 668 H THR 88 HN THR 88 95.151 8.101 -2.250 669 HA THR 88 HA THR 88 96.997 9.833 -0.687 670 HB THR 88 HB THR 88 94.624 10.171 0.516 671 HG1 THR 88 HG1 THR 88 92.984 9.723 -0.772 672 1HG2 THR 88 HG22 THR 88 95.476 11.416 -2.116 673 2HG2 THR 88 HG21 THR 88 94.286 12.104 -1.014 674 3HG2 THR 88 HG23 THR 88 95.966 11.950 -0.507 675 H SER 89 HN SER 89 97.721 9.191 1.284 676 HA SER 89 HA SER 89 97.239 6.467 2.159 677 1HB SER 89 2HB SER 89 99.414 7.495 2.517 678 2HB SER 89 3HB SER 89 98.687 8.789 3.462 679 HG SER 89 HG SER 89 97.927 6.397 4.424 680 H LEU 90 HN LEU 90 95.790 5.761 3.661 681 HA LEU 90 HA LEU 90 93.621 7.421 4.484 682 1HB LEU 90 2HB LEU 90 94.558 4.676 5.256 683 2HB LEU 90 3HB LEU 90 93.263 5.440 6.174 684 HG LEU 90 HG LEU 90 92.116 5.889 3.937 685 1HD1 LEU 90 HD12 LEU 90 94.264 5.427 2.630 686 2HD1 LEU 90 HD11 LEU 90 93.959 3.718 2.929 687 3HD1 LEU 90 HD13 LEU 90 92.800 4.675 2.007 688 1HD2 LEU 90 HD22 LEU 90 92.575 3.051 4.898 689 2HD2 LEU 90 HD21 LEU 90 91.268 4.138 5.366 690 3HD2 LEU 90 HD23 LEU 90 91.334 3.494 3.726 691 H VAL 91 HN VAL 91 96.683 6.705 6.021 692 HA VAL 91 HA VAL 91 97.069 7.042 8.482 693 HB VAL 91 HB VAL 91 98.584 8.242 6.973 694 1HG1 VAL 91 HG12 VAL 91 96.513 9.549 5.955 695 2HG1 VAL 91 HG11 VAL 91 96.921 10.728 7.206 696 3HG1 VAL 91 HG13 VAL 91 98.113 10.289 5.983 697 1HG2 VAL 91 HG22 VAL 91 98.519 8.597 9.499 698 2HG2 VAL 91 HG21 VAL 91 99.343 9.841 8.561 699 3HG2 VAL 91 HG23 VAL 91 97.710 10.129 9.162 700 H GLN 92 HN GLN 92 95.463 9.974 7.229 701 HA GLN 92 HA GLN 92 94.156 11.524 8.433 702 1HB GLN 92 2HB GLN 92 91.946 10.656 8.747 703 2HB GLN 92 3HB GLN 92 92.641 9.826 7.359 704 1HG GLN 92 2HG GLN 92 93.206 7.892 8.804 705 2HG GLN 92 3HG GLN 92 92.495 8.721 10.181 706 1HE2 GLN 92 HE22 GLN 92 89.239 7.698 9.369 707 2HE2 GLN 92 HE21 GLN 92 90.318 8.288 10.539 708 H HIS 93 HN HIS 93 92.330 10.681 10.606 709 HA HIS 93 HA HIS 93 93.751 11.566 12.835 710 1HB HIS 93 2HB HIS 93 91.406 9.652 12.724 711 2HB HIS 93 3HB HIS 93 91.953 10.484 14.183 712 HD1 HIS 93 HD1 HIS 93 89.892 10.956 11.170 713 HD2 HIS 93 HD2 HIS 93 91.790 13.404 13.956 714 HE1 HIS 93 HE1 HIS 93 88.888 13.267 10.896 715 H ASN 94 HN ASN 94 94.157 10.161 14.874 716 HA ASN 94 HA ASN 94 95.415 8.468 15.897 717 1HB ASN 94 2HB ASN 94 94.503 6.871 13.477 718 2HB ASN 94 3HB ASN 94 95.218 6.195 14.938 719 1HD2 ASN 94 HD22 ASN 94 92.213 7.681 16.764 720 2HD2 ASN 94 HD21 ASN 94 93.831 8.189 16.692 721 H ASP 95 HN ASP 95 95.947 9.392 12.621 722 HA ASP 95 HA ASP 95 97.849 9.547 11.305 723 1HB ASP 95 2HB ASP 95 99.056 9.702 14.079 724 2HB ASP 95 3HB ASP 95 99.985 9.968 12.602 725 H SER 96 HN SER 96 96.875 6.828 12.013 726 HA SER 96 HA SER 96 99.467 5.449 11.556 727 1HB SER 96 2HB SER 96 97.290 4.451 13.409 728 2HB SER 96 3HB SER 96 98.786 3.603 13.028 729 HG SER 96 HG SER 96 98.328 5.818 14.640 730 H LEU 97 HN LEU 97 96.474 6.053 10.301 731 HA LEU 97 HA LEU 97 96.007 3.355 9.220 732 1HB LEU 97 2HB LEU 97 94.754 6.037 8.536 733 2HB LEU 97 3HB LEU 97 94.234 4.484 7.879 734 HG LEU 97 HG LEU 97 94.313 5.146 10.836 735 1HD1 LEU 97 HD11 LEU 97 92.229 5.480 8.732 736 2HD1 LEU 97 HD13 LEU 97 91.698 4.809 10.274 737 3HD1 LEU 97 HD12 LEU 97 92.476 6.390 10.223 738 1HD2 LEU 97 HD23 LEU 97 93.901 2.707 9.256 739 2HD2 LEU 97 HD22 LEU 97 94.221 2.882 10.981 740 3HD2 LEU 97 HD21 LEU 97 92.573 3.031 10.373 741 H ASN 98 HN ASN 98 98.496 3.791 8.657 742 HA ASN 98 HA ASN 98 98.913 5.279 6.188 743 1HB ASN 98 2HB ASN 98 100.654 4.988 7.969 744 2HB ASN 98 3HB ASN 98 100.727 3.274 7.559 745 1HD2 ASN 98 HD22 ASN 98 102.045 5.939 4.707 746 2HD2 ASN 98 HD21 ASN 98 100.760 6.392 5.719 747 H VAL 99 HN VAL 99 97.353 4.219 4.824 748 HA VAL 99 HA VAL 99 98.465 1.917 3.412 749 HB VAL 99 HB VAL 99 97.285 0.690 5.128 750 1HG1 VAL 99 HG11 VAL 99 95.107 2.691 4.555 751 2HG1 VAL 99 HG13 VAL 99 94.729 1.133 5.286 752 3HG1 VAL 99 HG12 VAL 99 95.815 2.254 6.109 753 1HG2 VAL 99 HG21 VAL 99 97.007 -0.106 2.798 754 2HG2 VAL 99 HG23 VAL 99 95.591 -0.476 3.784 755 3HG2 VAL 99 HG22 VAL 99 95.548 0.874 2.650 756 H THR 100 HN THR 100 97.328 1.596 1.360 757 HA THR 100 HA THR 100 95.526 3.889 0.683 758 HB THR 100 HB THR 100 96.518 4.007 -1.511 759 HG1 THR 100 HG1 THR 100 97.511 2.363 -2.320 760 1HG2 THR 100 HG21 THR 100 97.727 5.087 0.418 761 2HG2 THR 100 HG23 THR 100 98.793 3.684 0.452 762 3HG2 THR 100 HG22 THR 100 98.748 4.721 -0.973 763 H LEU 101 HN LEU 101 93.752 3.380 -0.671 764 HA LEU 101 HA LEU 101 92.940 0.563 -0.614 765 1HB LEU 101 2HB LEU 101 91.571 2.958 -1.892 766 2HB LEU 101 3HB LEU 101 90.827 1.393 -1.563 767 HG LEU 101 HG LEU 101 91.845 3.400 0.470 768 1HD1 LEU 101 HD11 LEU 101 89.108 2.225 -0.107 769 2HD1 LEU 101 HD13 LEU 101 89.479 3.253 1.274 770 3HD1 LEU 101 HD12 LEU 101 89.604 3.898 -0.364 771 1HD2 LEU 101 HD23 LEU 101 91.212 0.499 0.687 772 2HD2 LEU 101 HD22 LEU 101 92.420 1.448 1.551 773 3HD2 LEU 101 HD21 LEU 101 90.718 1.551 2.008 774 H ALA 102 HN ALA 102 95.014 0.177 -2.012 775 HA ALA 102 HA ALA 102 94.499 0.713 -4.880 776 1HB ALA 102 HB2 ALA 102 96.774 0.950 -3.454 777 2HB ALA 102 HB1 ALA 102 96.961 -0.701 -4.044 778 3HB ALA 102 HB3 ALA 102 96.750 0.625 -5.188 779 H TYR 103 HN TYR 103 94.463 -2.004 -2.630 780 HA TYR 103 HA TYR 103 94.259 -3.800 -5.013 781 1HB TYR 103 2HB TYR 103 95.098 -4.433 -2.176 782 2HB TYR 103 3HB TYR 103 94.906 -5.630 -3.459 783 HD1 TYR 103 HD1 TYR 103 96.402 -5.643 -5.418 784 HD2 TYR 103 HD2 TYR 103 96.967 -2.863 -2.188 785 HE1 TYR 103 HE1 TYR 103 98.667 -5.107 -6.273 786 HE2 TYR 103 HE2 TYR 103 99.235 -2.332 -3.045 787 HH TYR 103 HH TYR 103 101.000 -3.818 -4.643 788 HA PRO 104 HA PRO 104 89.934 -4.057 -3.647 789 1HB PRO 104 2HB PRO 104 89.651 -6.034 -5.781 790 2HB PRO 104 3HB PRO 104 88.872 -4.459 -5.603 791 1HG PRO 104 2HG PRO 104 90.797 -5.055 -7.456 792 2HG PRO 104 3HG PRO 104 90.397 -3.425 -6.894 793 1HD PRO 104 2HD PRO 104 92.760 -5.090 -6.271 794 2HD PRO 104 3HD PRO 104 92.558 -3.326 -6.193 795 H VAL 105 HN VAL 105 88.656 -5.815 -2.674 796 HA VAL 105 HA VAL 105 90.334 -7.946 -1.580 797 HB VAL 105 HB VAL 105 88.517 -6.853 -0.252 798 1HG1 VAL 105 HG11 VAL 105 86.778 -8.335 -2.248 799 2HG1 VAL 105 HG13 VAL 105 86.179 -7.753 -0.698 800 3HG1 VAL 105 HG12 VAL 105 86.772 -6.605 -1.900 801 1HG2 VAL 105 HG22 VAL 105 88.974 -9.728 -0.591 802 2HG2 VAL 105 HG21 VAL 105 88.876 -8.775 0.890 803 3HG2 VAL 105 HG23 VAL 105 87.403 -9.367 0.123 804 H TYR 106 HN TYR 106 87.931 -7.651 -4.132 805 HA TYR 106 HA TYR 106 88.018 -10.587 -4.555 806 1HB TYR 106 2HB TYR 106 86.196 -8.417 -5.554 807 2HB TYR 106 3HB TYR 106 86.229 -10.004 -6.321 808 HD1 TYR 106 HD1 TYR 106 86.141 -12.040 -4.637 809 HD2 TYR 106 HD2 TYR 106 84.754 -8.076 -3.769 810 HE1 TYR 106 HE1 TYR 106 84.686 -12.946 -2.847 811 HE2 TYR 106 HE2 TYR 106 83.296 -8.976 -1.978 812 HH TYR 106 HH TYR 106 82.223 -11.700 -1.685 813 H ALA 107 HN ALA 107 90.303 -8.840 -5.180 814 HA ALA 107 HA ALA 107 90.353 -8.597 -8.089 815 1HB ALA 107 HB3 ALA 107 91.981 -7.718 -5.881 816 2HB ALA 107 HB2 ALA 107 92.997 -8.546 -7.060 817 3HB ALA 107 HB1 ALA 107 92.013 -7.171 -7.559 818 H GLN 108 HN GLN 108 89.974 -11.275 -6.609 819 HA GLN 108 HA GLN 108 92.219 -12.944 -6.928 820 1HB GLN 108 2HB GLN 108 89.987 -13.567 -5.917 821 2HB GLN 108 3HB GLN 108 89.367 -13.741 -7.560 822 1HG GLN 108 2HG GLN 108 91.172 -15.398 -8.026 823 2HG GLN 108 3HG GLN 108 91.682 -15.268 -6.342 824 1HE2 GLN 108 HE22 GLN 108 88.281 -16.569 -5.355 825 2HE2 GLN 108 HE21 GLN 108 89.027 -15.054 -5.181 826 H GLN 109 HN GLN 109 93.192 -13.904 -8.705 827 HA GLN 109 HA GLN 109 92.280 -12.961 -11.364 828 1HB GLN 109 2HB GLN 109 94.793 -14.420 -10.500 829 2HB GLN 109 3HB GLN 109 94.457 -13.897 -12.150 830 1HG GLN 109 2HG GLN 109 94.623 -12.067 -9.738 831 2HG GLN 109 3HG GLN 109 95.896 -12.283 -10.938 832 1HE2 GLN 109 HE22 GLN 109 93.420 -10.902 -13.479 833 2HE2 GLN 109 HE21 GLN 109 94.033 -12.466 -13.236 834 H ARG 110 HN ARG 110 91.561 -14.366 -12.968 835 HA ARG 110 HA ARG 110 91.093 -17.172 -12.073 836 1HB ARG 110 2HB ARG 110 89.087 -15.838 -12.739 837 2HB ARG 110 3HB ARG 110 89.779 -15.669 -14.353 838 1HG ARG 110 2HG ARG 110 89.735 -18.058 -14.699 839 2HG ARG 110 3HG ARG 110 89.249 -18.340 -13.026 840 1HD ARG 110 2HD ARG 110 87.348 -16.544 -13.955 841 2HD ARG 110 3HD ARG 110 87.606 -17.606 -15.336 842 HE ARG 110 HE ARG 110 86.040 -18.302 -13.142 843 1HH1 ARG 110 HH21 ARG 110 88.905 -19.489 -14.654 844 2HH1 ARG 110 HH22 ARG 110 88.705 -21.100 -14.056 845 1HH2 ARG 110 HH11 ARG 110 85.757 -20.389 -12.373 846 2HH2 ARG 110 HH12 ARG 110 86.913 -21.615 -12.774 847 H ARG 111 HN ARG 111 92.096 -18.805 -13.134 848 HA ARG 111 HA ARG 111 92.999 -18.484 -15.888 849 1HB ARG 111 2HB ARG 111 94.826 -17.365 -14.644 850 2HB ARG 111 3HB ARG 111 95.061 -18.831 -13.689 851 1HG ARG 111 2HG ARG 111 95.500 -20.087 -15.800 852 2HG ARG 111 3HG ARG 111 95.381 -18.572 -16.695 853 1HD ARG 111 2HD ARG 111 97.729 -19.060 -16.242 854 2HD ARG 111 3HD ARG 111 97.235 -17.652 -15.299 855 HE ARG 111 HE ARG 111 96.793 -19.748 -13.565 856 1HH1 ARG 111 HH21 ARG 111 99.405 -18.721 -15.555 857 2HH1 ARG 111 HH22 ARG 111 100.633 -19.278 -14.468 858 1HH2 ARG 111 HH11 ARG 111 98.377 -20.482 -12.121 859 2HH2 ARG 111 HH12 ARG 111 100.051 -20.266 -12.515 No H/Q in entry = 859 Start of MODEL 20 1 1H GLU 1 HT1 GLU 1 95.950 -2.330 -17.708 2 2H GLU 1 HT3 GLU 1 96.126 -2.196 -19.390 3 3H GLU 1 HT2 GLU 1 97.446 -1.872 -18.370 4 HA GLU 1 HA GLU 1 96.730 0.186 -17.818 5 1HB GLU 1 2HB GLU 1 96.871 0.069 -20.320 6 2HB GLU 1 3HB GLU 1 95.134 -0.248 -20.358 7 1HG GLU 1 2HG GLU 1 94.708 1.882 -19.195 8 2HG GLU 1 3HG GLU 1 96.441 2.207 -19.146 9 H ASP 2 HN ASP 2 94.116 -2.067 -18.337 10 HA ASP 2 HA ASP 2 91.977 -0.310 -17.573 11 1HB ASP 2 2HB ASP 2 91.655 -2.477 -18.752 12 2HB ASP 2 3HB ASP 2 92.169 -3.326 -17.297 13 H LEU 3 HN LEU 3 91.344 0.344 -15.552 14 HA LEU 3 HA LEU 3 92.995 -0.529 -13.255 15 1HB LEU 3 2HB LEU 3 90.955 1.692 -13.560 16 2HB LEU 3 3HB LEU 3 91.848 1.364 -12.076 17 HG LEU 3 HG LEU 3 93.894 1.465 -13.866 18 1HD1 LEU 3 HD12 LEU 3 92.072 2.134 -15.591 19 2HD1 LEU 3 HD11 LEU 3 92.061 3.690 -14.760 20 3HD1 LEU 3 HD13 LEU 3 93.541 3.108 -15.526 21 1HD2 LEU 3 HD23 LEU 3 92.557 3.604 -12.205 22 2HD2 LEU 3 HD22 LEU 3 94.037 2.710 -11.863 23 3HD2 LEU 3 HD21 LEU 3 94.030 3.952 -13.113 24 HA PRO 4 HA PRO 4 89.762 -3.432 -12.000 25 1HB PRO 4 2HB PRO 4 90.895 -2.992 -9.294 26 2HB PRO 4 3HB PRO 4 90.673 -4.508 -10.186 27 1HG PRO 4 2HG PRO 4 93.079 -3.358 -9.814 28 2HG PRO 4 3HG PRO 4 92.683 -4.336 -11.235 29 1HD PRO 4 2HD PRO 4 93.032 -1.396 -11.017 30 2HD PRO 4 3HD PRO 4 93.227 -2.465 -12.426 31 H HIS 5 HN HIS 5 90.240 -0.227 -10.910 32 HA HIS 5 HA HIS 5 88.219 -0.076 -8.891 33 1HB HIS 5 2HB HIS 5 89.298 2.054 -10.759 34 2HB HIS 5 3HB HIS 5 88.258 2.374 -9.369 35 HD1 HIS 5 HD1 HIS 5 89.325 0.856 -7.131 36 HD2 HIS 5 HD2 HIS 5 91.900 2.488 -9.973 37 HE1 HIS 5 HE1 HIS 5 91.599 1.011 -6.034 38 H HIS 6 HN HIS 6 88.112 0.077 -12.406 39 HA HIS 6 HA HIS 6 85.466 1.121 -12.676 40 1HB HIS 6 2HB HIS 6 87.064 -0.743 -14.452 41 2HB HIS 6 3HB HIS 6 85.486 -0.098 -14.904 42 HD1 HIS 6 HD1 HIS 6 85.547 2.765 -14.229 43 HD2 HIS 6 HD2 HIS 6 88.956 0.841 -15.663 44 HE1 HIS 6 HE1 HIS 6 87.061 4.577 -15.146 45 H ASP 7 HN ASP 7 86.636 -1.971 -11.652 46 HA ASP 7 HA ASP 7 84.030 -3.274 -12.097 47 1HB ASP 7 2HB ASP 7 86.643 -4.250 -10.913 48 2HB ASP 7 3HB ASP 7 85.198 -5.250 -11.047 49 H GLU 8 HN GLU 8 82.454 -2.872 -10.590 50 HA GLU 8 HA GLU 8 82.987 -1.779 -7.989 51 1HB GLU 8 2HB GLU 8 80.838 -1.536 -9.302 52 2HB GLU 8 3HB GLU 8 80.474 -3.212 -8.893 53 1HG GLU 8 2HG GLU 8 80.191 -2.745 -6.639 54 2HG GLU 8 3HG GLU 8 81.209 -1.304 -6.706 55 H LYS 9 HN LYS 9 82.349 -5.045 -9.159 56 HA LYS 9 HA LYS 9 82.050 -6.310 -6.623 57 1HB LYS 9 2HB LYS 9 82.354 -8.353 -7.805 58 2HB LYS 9 3HB LYS 9 81.591 -7.245 -8.951 59 1HG LYS 9 2HG LYS 9 84.148 -6.634 -9.467 60 2HG LYS 9 3HG LYS 9 84.395 -8.281 -8.893 61 1HD LYS 9 2HD LYS 9 83.743 -9.068 -10.888 62 2HD LYS 9 3HD LYS 9 82.162 -8.328 -10.671 63 1HE LYS 9 2HE LYS 9 83.250 -6.140 -11.457 64 2HE LYS 9 3HE LYS 9 84.608 -7.140 -11.981 65 1HZ LYS 9 HZ3 LYS 9 82.180 -8.302 -12.813 66 2HZ LYS 9 HZ2 LYS 9 82.229 -6.685 -13.327 67 3HZ LYS 9 HZ1 LYS 9 83.475 -7.754 -13.762 68 H THR 10 HN THR 10 84.924 -5.316 -8.394 69 HA THR 10 HA THR 10 86.817 -6.958 -7.069 70 HB THR 10 HB THR 10 88.434 -5.042 -7.655 71 HG1 THR 10 HG1 THR 10 87.347 -3.680 -9.304 72 1HG2 THR 10 HG23 THR 10 88.084 -7.041 -9.042 73 2HG2 THR 10 HG22 THR 10 86.693 -6.272 -9.803 74 3HG2 THR 10 HG21 THR 10 88.308 -5.609 -10.047 75 H TRP 11 HN TRP 11 85.339 -3.916 -6.041 76 HA TRP 11 HA TRP 11 86.712 -4.289 -3.406 77 1HB TRP 11 2HB TRP 11 86.190 -1.655 -3.362 78 2HB TRP 11 3HB TRP 11 87.681 -2.303 -4.058 79 HD1 TRP 11 HD1 TRP 11 87.538 -2.875 -6.754 80 HE1 TRP 11 HE1 TRP 11 86.325 -1.587 -8.628 81 HE3 TRP 11 HE3 TRP 11 84.336 -0.099 -3.939 82 HZ2 TRP 11 HZ2 TRP 11 84.261 0.397 -8.883 83 HZ3 TRP 11 HZ3 TRP 11 82.764 1.486 -5.005 84 HH2 TRP 11 HH2 TRP 11 82.721 1.740 -7.473 85 H ASN 12 HN ASN 12 83.759 -4.281 -5.016 86 HA ASN 12 HA ASN 12 82.246 -3.256 -2.676 87 1HB ASN 12 2HB ASN 12 81.634 -2.594 -5.023 88 2HB ASN 12 3HB ASN 12 81.155 -4.266 -5.309 89 1HD2 ASN 12 HD22 ASN 12 78.233 -2.145 -4.087 90 2HD2 ASN 12 HD21 ASN 12 79.396 -1.865 -5.291 91 H VAL 13 HN VAL 13 81.329 -4.611 -1.219 92 HA VAL 13 HA VAL 13 81.318 -7.524 -1.882 93 HB VAL 13 HB VAL 13 81.223 -6.121 0.802 94 1HG1 VAL 13 HG12 VAL 13 80.805 -8.937 -0.070 95 2HG1 VAL 13 HG11 VAL 13 81.754 -8.686 1.396 96 3HG1 VAL 13 HG13 VAL 13 80.105 -8.067 1.296 97 1HG2 VAL 13 HG21 VAL 13 83.410 -6.455 -0.769 98 2HG2 VAL 13 HG23 VAL 13 83.463 -6.492 0.990 99 3HG2 VAL 13 HG22 VAL 13 83.401 -7.999 0.084 100 H GLY 14 HN GLY 14 79.275 -4.827 -1.453 101 1HA GLY 14 2HA GLY 14 76.920 -4.704 -1.551 102 2HA GLY 14 3HA GLY 14 76.891 -6.453 -1.784 103 H SER 15 HN SER 15 75.130 -6.621 -0.228 104 HA SER 15 HA SER 15 75.408 -5.645 2.472 105 1HB SER 15 2HB SER 15 73.476 -7.083 2.973 106 2HB SER 15 3HB SER 15 73.209 -6.193 1.478 107 HG SER 15 HG SER 15 73.467 -8.001 0.339 108 H SER 16 HN SER 16 76.130 -6.707 4.314 109 HA SER 16 HA SER 16 76.987 -9.511 4.200 110 1HB SER 16 2HB SER 16 79.348 -8.986 4.764 111 2HB SER 16 3HB SER 16 78.914 -8.391 3.165 112 HG SER 16 HG SER 16 79.196 -6.965 5.592 113 H ASN 17 HN ASN 17 77.555 -10.315 6.314 114 HA ASN 17 HA ASN 17 76.315 -8.761 8.500 115 1HB ASN 17 2HB ASN 17 75.862 -11.233 8.171 116 2HB ASN 17 3HB ASN 17 77.542 -11.536 8.621 117 1HD2 ASN 17 HD22 ASN 17 76.633 -11.566 12.019 118 2HD2 ASN 17 HD21 ASN 17 77.514 -12.280 10.757 119 H ARG 18 HN ARG 18 79.044 -8.248 7.177 120 HA ARG 18 HA ARG 18 81.148 -7.522 7.898 121 1HB ARG 18 2HB ARG 18 79.487 -7.330 10.407 122 2HB ARG 18 3HB ARG 18 81.208 -6.947 10.434 123 1HG ARG 18 2HG ARG 18 80.952 -5.134 8.955 124 2HG ARG 18 3HG ARG 18 79.406 -5.728 8.350 125 1HD ARG 18 2HD ARG 18 78.273 -4.627 9.949 126 2HD ARG 18 3HD ARG 18 79.288 -5.300 11.223 127 HE ARG 18 HE ARG 18 79.403 -2.624 10.260 128 1HH1 ARG 18 HH21 ARG 18 81.495 -5.308 10.792 129 2HH1 ARG 18 HH22 ARG 18 82.917 -4.334 10.957 130 1HH2 ARG 18 HH11 ARG 18 81.257 -1.340 10.449 131 2HH2 ARG 18 HH12 ARG 18 82.784 -2.097 10.756 132 H ASN 19 HN ASN 19 79.740 -10.408 9.116 133 HA ASN 19 HA ASN 19 81.931 -11.282 10.774 134 1HB ASN 19 2HB ASN 19 79.647 -12.323 10.773 135 2HB ASN 19 3HB ASN 19 79.999 -12.996 9.180 136 1HD2 ASN 19 HD22 ASN 19 80.945 -15.484 11.876 137 2HD2 ASN 19 HD21 ASN 19 79.511 -14.635 11.548 138 H LYS 20 HN LYS 20 81.096 -11.818 7.362 139 HA LYS 20 HA LYS 20 83.433 -13.357 6.714 140 1HB LYS 20 2HB LYS 20 82.828 -12.945 4.415 141 2HB LYS 20 3HB LYS 20 81.316 -13.120 5.313 142 1HG LYS 20 2HG LYS 20 81.337 -10.587 5.595 143 2HG LYS 20 3HG LYS 20 82.646 -10.556 4.416 144 1HD LYS 20 2HD LYS 20 80.487 -10.173 3.305 145 2HD LYS 20 3HD LYS 20 81.185 -11.703 2.774 146 1HE LYS 20 2HE LYS 20 78.638 -11.535 3.551 147 2HE LYS 20 3HE LYS 20 79.609 -12.967 3.897 148 1HZ LYS 20 HZ1 LYS 20 80.228 -11.779 6.030 149 2HZ LYS 20 HZ3 LYS 20 78.943 -10.724 5.703 150 3HZ LYS 20 HZ2 LYS 20 78.645 -12.382 5.923 151 H ALA 21 HN ALA 21 82.778 -9.938 7.059 152 HA ALA 21 HA ALA 21 84.952 -8.882 5.585 153 1HB ALA 21 HB2 ALA 21 83.698 -7.867 8.157 154 2HB ALA 21 HB1 ALA 21 84.787 -6.931 7.135 155 3HB ALA 21 HB3 ALA 21 83.215 -7.436 6.518 156 H GLU 22 HN GLU 22 84.803 -10.049 8.966 157 HA GLU 22 HA GLU 22 87.532 -9.461 9.607 158 1HB GLU 22 2HB GLU 22 85.671 -11.641 10.605 159 2HB GLU 22 3HB GLU 22 87.258 -11.320 11.303 160 1HG GLU 22 2HG GLU 22 84.910 -9.403 11.175 161 2HG GLU 22 3HG GLU 22 85.587 -10.150 12.620 162 H ASN 23 HN ASN 23 85.986 -12.353 8.225 163 HA ASN 23 HA ASN 23 88.356 -13.920 7.940 164 1HB ASN 23 2HB ASN 23 85.748 -13.915 6.402 165 2HB ASN 23 3HB ASN 23 87.013 -15.125 6.176 166 1HD2 ASN 23 HD22 ASN 23 84.517 -15.448 9.333 167 2HD2 ASN 23 HD21 ASN 23 84.303 -14.263 8.139 168 H LEU 24 HN LEU 24 86.646 -11.705 5.738 169 HA LEU 24 HA LEU 24 88.531 -11.966 3.574 170 1HB LEU 24 2HB LEU 24 86.567 -9.774 4.306 171 2HB LEU 24 3HB LEU 24 87.525 -9.761 2.829 172 HG LEU 24 HG LEU 24 85.620 -11.988 3.619 173 1HD1 LEU 24 HD12 LEU 24 84.750 -9.577 2.947 174 2HD1 LEU 24 HD11 LEU 24 85.173 -10.111 1.320 175 3HD1 LEU 24 HD13 LEU 24 83.993 -11.017 2.266 176 1HD2 LEU 24 HD23 LEU 24 87.469 -11.479 1.305 177 2HD2 LEU 24 HD22 LEU 24 87.138 -12.988 2.156 178 3HD2 LEU 24 HD21 LEU 24 85.958 -12.344 1.014 179 H LEU 25 HN LEU 25 88.262 -9.843 6.387 180 HA LEU 25 HA LEU 25 90.592 -8.230 5.609 181 1HB LEU 25 2HB LEU 25 88.909 -8.376 8.134 182 2HB LEU 25 3HB LEU 25 90.264 -7.265 7.927 183 HG LEU 25 HG LEU 25 88.007 -7.372 5.925 184 1HD1 LEU 25 HD11 LEU 25 87.258 -6.866 8.359 185 2HD1 LEU 25 HD13 LEU 25 88.160 -5.363 8.169 186 3HD1 LEU 25 HD12 LEU 25 86.802 -5.716 7.101 187 1HD2 LEU 25 HD21 LEU 25 90.169 -5.402 6.688 188 2HD2 LEU 25 HD23 LEU 25 89.939 -6.208 5.136 189 3HD2 LEU 25 HD22 LEU 25 88.807 -4.962 5.657 190 H ARG 26 HN ARG 26 90.042 -11.236 6.942 191 HA ARG 26 HA ARG 26 92.613 -11.239 8.437 192 1HB ARG 26 2HB ARG 26 90.225 -13.090 8.415 193 2HB ARG 26 3HB ARG 26 91.758 -13.551 9.161 194 1HG ARG 26 2HG ARG 26 90.663 -10.877 9.873 195 2HG ARG 26 3HG ARG 26 89.820 -12.281 10.527 196 1HD ARG 26 2HD ARG 26 92.811 -11.858 10.744 197 2HD ARG 26 3HD ARG 26 91.662 -11.426 12.011 198 HE ARG 26 HE ARG 26 91.094 -14.082 11.509 199 1HH1 ARG 26 HH21 ARG 26 93.901 -12.218 12.180 200 2HH1 ARG 26 HH22 ARG 26 94.719 -13.490 13.024 201 1HH2 ARG 26 HH11 ARG 26 92.146 -15.782 12.586 202 2HH2 ARG 26 HH12 ARG 26 93.720 -15.516 13.258 203 H GLY 27 HN GLY 27 94.347 -12.045 7.395 204 1HA GLY 27 2HA GLY 27 95.481 -13.770 6.131 205 2HA GLY 27 3HA GLY 27 93.939 -14.191 5.385 206 H LYS 28 HN LYS 28 93.898 -10.933 5.317 207 HA LYS 28 HA LYS 28 94.959 -10.898 2.545 208 1HB LYS 28 2HB LYS 28 93.113 -9.032 4.047 209 2HB LYS 28 3HB LYS 28 93.751 -8.670 2.444 210 1HG LYS 28 2HG LYS 28 92.157 -11.155 3.142 211 2HG LYS 28 3HG LYS 28 91.496 -9.720 2.360 212 1HD LYS 28 2HD LYS 28 93.604 -10.180 0.735 213 2HD LYS 28 3HD LYS 28 93.248 -11.834 1.242 214 1HE LYS 28 2HE LYS 28 90.871 -11.493 0.608 215 2HE LYS 28 3HE LYS 28 91.272 -9.872 0.040 216 1HZ LYS 28 HZ3 LYS 28 93.005 -11.876 -1.037 217 2HZ LYS 28 HZ2 LYS 28 91.378 -12.159 -1.433 218 3HZ LYS 28 HZ1 LYS 28 92.107 -10.680 -1.838 219 H ARG 29 HN ARG 29 96.630 -9.594 1.969 220 HA ARG 29 HA ARG 29 98.384 -8.609 4.051 221 1HB ARG 29 2HB ARG 29 98.496 -8.237 1.041 222 2HB ARG 29 3HB ARG 29 99.796 -7.839 2.166 223 1HG ARG 29 2HG ARG 29 98.579 -10.603 1.993 224 2HG ARG 29 3HG ARG 29 99.995 -10.121 1.053 225 1HD ARG 29 2HD ARG 29 100.912 -9.305 3.370 226 2HD ARG 29 3HD ARG 29 99.711 -10.413 4.029 227 HE ARG 29 HE ARG 29 101.067 -11.945 2.156 228 1HH1 ARG 29 HH21 ARG 29 101.874 -9.964 4.858 229 2HH1 ARG 29 HH22 ARG 29 103.299 -10.861 5.266 230 1HH2 ARG 29 HH11 ARG 29 102.942 -13.129 2.670 231 2HH2 ARG 29 HH12 ARG 29 103.916 -12.634 4.015 232 H ASP 30 HN ASP 30 99.156 -6.333 4.145 233 HA ASP 30 HA ASP 30 97.019 -4.496 4.473 234 1HB ASP 30 2HB ASP 30 98.738 -2.777 4.712 235 2HB ASP 30 3HB ASP 30 99.236 -4.241 5.560 236 H GLY 31 HN GLY 31 96.345 -2.712 3.193 237 1HA GLY 31 2HA GLY 31 96.409 -1.346 1.187 238 2HA GLY 31 3HA GLY 31 97.356 -2.607 0.396 239 H THR 32 HN THR 32 95.510 -4.690 1.558 240 HA THR 32 HA THR 32 93.574 -4.621 -0.627 241 HB THR 32 HB THR 32 93.725 -6.618 1.646 242 HG1 THR 32 HG1 THR 32 95.424 -7.392 0.705 243 1HG2 THR 32 HG22 THR 32 92.072 -6.261 -0.725 244 2HG2 THR 32 HG21 THR 32 92.892 -7.823 -0.731 245 3HG2 THR 32 HG23 THR 32 91.861 -7.374 0.627 246 H PHE 33 HN PHE 33 91.638 -3.592 -0.436 247 HA PHE 33 HA PHE 33 90.424 -3.546 2.281 248 1HB PHE 33 2HB PHE 33 90.116 -1.294 2.305 249 2HB PHE 33 3HB PHE 33 91.498 -1.298 1.214 250 HD1 PHE 33 HD1 PHE 33 90.802 -1.746 -1.374 251 HD2 PHE 33 HD2 PHE 33 88.252 -0.105 1.662 252 HE1 PHE 33 HE1 PHE 33 89.390 -0.686 -3.115 253 HE2 PHE 33 HE2 PHE 33 86.844 0.945 -0.098 254 HZ PHE 33 HZ PHE 33 87.408 0.647 -2.466 255 H LEU 34 HN LEU 34 88.076 -3.199 2.224 256 HA LEU 34 HA LEU 34 86.855 -4.110 -0.358 257 1HB LEU 34 2HB LEU 34 85.401 -5.615 0.939 258 2HB LEU 34 3HB LEU 34 87.095 -6.025 1.179 259 HG LEU 34 HG LEU 34 86.239 -4.009 3.083 260 1HD1 LEU 34 HD13 LEU 34 84.043 -5.121 2.760 261 2HD1 LEU 34 HD12 LEU 34 84.790 -6.670 3.152 262 3HD1 LEU 34 HD11 LEU 34 84.700 -5.399 4.373 263 1HD2 LEU 34 HD22 LEU 34 87.417 -6.794 3.195 264 2HD2 LEU 34 HD21 LEU 34 88.226 -5.253 3.489 265 3HD2 LEU 34 HD23 LEU 34 87.053 -5.867 4.652 266 H VAL 35 HN VAL 35 84.386 -3.735 -0.307 267 HA VAL 35 HA VAL 35 83.733 -1.391 1.413 268 HB VAL 35 HB VAL 35 83.227 -1.663 -1.557 269 1HG1 VAL 35 HG11 VAL 35 82.161 0.272 0.493 270 2HG1 VAL 35 HG13 VAL 35 82.339 0.741 -1.199 271 3HG1 VAL 35 HG12 VAL 35 81.277 -0.601 -0.760 272 1HG2 VAL 35 HG21 VAL 35 85.411 -0.681 -0.123 273 2HG2 VAL 35 HG23 VAL 35 85.040 -0.338 -1.813 274 3HG2 VAL 35 HG22 VAL 35 84.492 0.764 -0.551 275 H ARG 36 HN ARG 36 81.824 -1.569 2.477 276 HA ARG 36 HA ARG 36 79.774 -3.489 1.427 277 1HB ARG 36 2HB ARG 36 80.667 -3.124 4.307 278 2HB ARG 36 3HB ARG 36 79.234 -4.029 3.824 279 1HG ARG 36 2HG ARG 36 80.472 -5.709 2.800 280 2HG ARG 36 3HG ARG 36 81.896 -4.685 2.610 281 1HD ARG 36 2HD ARG 36 80.805 -5.740 5.238 282 2HD ARG 36 3HD ARG 36 82.262 -6.315 4.420 283 HE ARG 36 HE ARG 36 82.712 -3.610 4.709 284 1HH1 ARG 36 HH21 ARG 36 81.820 -6.223 6.780 285 2HH1 ARG 36 HH22 ARG 36 82.569 -5.534 8.181 286 1HH2 ARG 36 HH11 ARG 36 83.680 -2.704 6.520 287 2HH2 ARG 36 HH12 ARG 36 83.613 -3.538 8.037 288 H GLU 37 HN GLU 37 78.072 -2.826 3.810 289 HA GLU 37 HA GLU 37 77.286 -0.114 2.877 290 1HB GLU 37 2HB GLU 37 75.680 -2.191 4.406 291 2HB GLU 37 3HB GLU 37 75.069 -0.642 3.829 292 1HG GLU 37 2HG GLU 37 76.187 -2.825 2.053 293 2HG GLU 37 3HG GLU 37 74.470 -2.525 2.318 294 H SER 38 HN SER 38 76.206 1.147 4.830 295 HA SER 38 HA SER 38 78.217 1.188 6.965 296 1HB SER 38 2HB SER 38 76.815 3.025 7.879 297 2HB SER 38 3HB SER 38 77.232 3.295 6.193 298 HG SER 38 HG SER 38 74.795 2.420 7.320 299 H SER 39 HN SER 39 75.914 -0.784 6.167 300 HA SER 39 HA SER 39 75.249 -2.666 7.470 301 1HB SER 39 2HB SER 39 75.175 -2.616 9.837 302 2HB SER 39 3HB SER 39 76.549 -1.590 9.443 303 HG SER 39 HG SER 39 74.674 -0.884 10.959 304 H LYS 40 HN LYS 40 73.586 -0.256 9.434 305 HA LYS 40 HA LYS 40 71.124 -0.744 7.800 306 1HB LYS 40 2HB LYS 40 69.841 -0.586 9.906 307 2HB LYS 40 3HB LYS 40 71.029 -1.887 9.992 308 1HG LYS 40 2HG LYS 40 72.327 -0.796 11.538 309 2HG LYS 40 3HG LYS 40 71.935 0.801 10.908 310 1HD LYS 40 2HD LYS 40 69.734 0.722 11.937 311 2HD LYS 40 3HD LYS 40 70.008 -0.940 12.469 312 1HE LYS 40 2HE LYS 40 71.916 1.251 13.262 313 2HE LYS 40 3HE LYS 40 70.430 0.988 14.175 314 1HZ LYS 40 HZ2 LYS 40 71.223 -1.472 14.118 315 2HZ LYS 40 HZ1 LYS 40 72.752 -0.782 13.849 316 3HZ LYS 40 HZ3 LYS 40 71.884 -0.395 15.254 317 H GLN 41 HN GLN 41 73.353 1.534 8.601 318 HA GLN 41 HA GLN 41 71.553 3.759 9.170 319 1HB GLN 41 2HB GLN 41 74.491 3.620 8.450 320 2HB GLN 41 3HB GLN 41 73.646 5.129 8.804 321 1HG GLN 41 2HG GLN 41 72.965 4.204 11.006 322 2HG GLN 41 3HG GLN 41 73.883 2.741 10.657 323 1HE2 GLN 41 HE22 GLN 41 76.168 6.143 11.008 324 2HE2 GLN 41 HE21 GLN 41 74.744 6.199 10.086 325 H GLY 42 HN GLY 42 72.573 2.113 6.360 326 1HA GLY 42 2HA GLY 42 71.665 2.494 4.180 327 2HA GLY 42 3HA GLY 42 71.181 4.112 4.690 328 H CYS 43 HN CYS 43 74.146 4.139 5.850 329 HA CYS 43 HA CYS 43 75.257 5.431 3.441 330 1HB CYS 43 2HB CYS 43 76.241 5.215 6.299 331 2HB CYS 43 3HB CYS 43 77.146 6.028 5.023 332 HG CYS 43 HG CYS 43 75.104 7.699 4.770 333 H TYR 44 HN TYR 44 77.806 4.948 3.193 334 HA TYR 44 HA TYR 44 78.022 1.966 3.051 335 1HB TYR 44 2HB TYR 44 79.369 4.107 1.379 336 2HB TYR 44 3HB TYR 44 79.681 2.379 1.230 337 HD1 TYR 44 HD1 TYR 44 77.925 0.848 0.370 338 HD2 TYR 44 HD2 TYR 44 77.319 5.096 0.585 339 HE1 TYR 44 HE1 TYR 44 75.972 0.648 -1.148 340 HE2 TYR 44 HE2 TYR 44 75.374 4.889 -0.935 341 HH TYR 44 HH TYR 44 74.748 2.194 -2.779 342 H ALA 45 HN ALA 45 80.084 1.006 3.559 343 HA ALA 45 HA ALA 45 82.065 2.747 4.915 344 1HB ALA 45 HB3 ALA 45 80.748 0.327 6.184 345 2HB ALA 45 HB2 ALA 45 82.139 1.181 6.852 346 3HB ALA 45 HB1 ALA 45 80.583 2.001 6.720 347 H CYS 46 HN CYS 46 84.133 2.051 4.442 348 HA CYS 46 HA CYS 46 84.369 -0.657 3.224 349 1HB CYS 46 2HB CYS 46 86.119 0.165 1.802 350 2HB CYS 46 3HB CYS 46 84.817 1.348 1.707 351 HG CYS 46 HG CYS 46 86.558 2.970 2.412 352 H SER 47 HN SER 47 85.797 -2.028 4.088 353 HA SER 47 HA SER 47 87.289 -1.072 6.465 354 1HB SER 47 2HB SER 47 86.585 -3.851 5.498 355 2HB SER 47 3HB SER 47 87.568 -3.529 6.923 356 HG SER 47 HG SER 47 84.924 -2.587 6.464 357 H VAL 48 HN VAL 48 89.530 -1.376 6.655 358 HA VAL 48 HA VAL 48 90.918 -2.303 4.176 359 HB VAL 48 HB VAL 48 91.700 0.027 5.955 360 1HG1 VAL 48 HG11 VAL 48 93.085 -1.553 3.901 361 2HG1 VAL 48 HG13 VAL 48 93.188 0.188 3.669 362 3HG1 VAL 48 HG12 VAL 48 93.748 -0.534 5.177 363 1HG2 VAL 48 HG23 VAL 48 89.760 0.022 4.019 364 2HG2 VAL 48 HG22 VAL 48 90.719 1.435 4.458 365 3HG2 VAL 48 HG21 VAL 48 91.192 0.446 3.078 366 H VAL 49 HN VAL 49 93.152 -3.054 4.655 367 HA VAL 49 HA VAL 49 93.413 -3.995 7.481 368 HB VAL 49 HB VAL 49 94.396 -5.341 4.961 369 1HG1 VAL 49 HG13 VAL 49 94.970 -5.702 7.827 370 2HG1 VAL 49 HG12 VAL 49 94.500 -7.185 6.996 371 3HG1 VAL 49 HG11 VAL 49 95.880 -6.250 6.420 372 1HG2 VAL 49 HG22 VAL 49 91.914 -5.369 5.378 373 2HG2 VAL 49 HG21 VAL 49 92.659 -6.967 5.351 374 3HG2 VAL 49 HG23 VAL 49 92.236 -6.216 6.891 375 H VAL 50 HN VAL 50 95.237 -3.263 8.487 376 HA VAL 50 HA VAL 50 97.431 -2.328 6.703 377 HB VAL 50 HB VAL 50 96.139 -0.440 7.718 378 1HG1 VAL 50 HG13 VAL 50 95.669 -1.696 9.849 379 2HG1 VAL 50 HG12 VAL 50 97.348 -1.437 10.307 380 3HG1 VAL 50 HG11 VAL 50 96.269 -0.059 10.094 381 1HG2 VAL 50 HG21 VAL 50 98.854 -0.783 7.381 382 2HG2 VAL 50 HG23 VAL 50 98.073 0.753 7.757 383 3HG2 VAL 50 HG22 VAL 50 98.757 -0.225 9.053 384 H ASP 51 HN ASP 51 99.524 -2.415 7.635 385 HA ASP 51 HA ASP 51 100.243 -4.823 8.789 386 1HB ASP 51 2HB ASP 51 101.635 -2.141 8.884 387 2HB ASP 51 3HB ASP 51 102.387 -3.636 9.454 388 H GLY 52 HN GLY 52 98.841 -2.144 10.298 389 1HA GLY 52 2HA GLY 52 99.765 -2.907 12.977 390 2HA GLY 52 3HA GLY 52 98.642 -1.596 12.613 391 H GLU 53 HN GLU 53 96.534 -2.623 11.427 392 HA GLU 53 HA GLU 53 95.753 -5.229 12.459 393 1HB GLU 53 2HB GLU 53 93.940 -4.419 13.957 394 2HB GLU 53 3HB GLU 53 95.548 -4.018 14.561 395 1HG GLU 53 2HG GLU 53 95.339 -1.742 13.680 396 2HG GLU 53 3HG GLU 53 93.760 -2.137 12.993 397 H VAL 54 HN VAL 54 93.028 -4.956 12.509 398 HA VAL 54 HA VAL 54 92.444 -4.372 9.660 399 HB VAL 54 HB VAL 54 90.904 -5.823 11.835 400 1HG1 VAL 54 HG13 VAL 54 90.181 -5.073 9.007 401 2HG1 VAL 54 HG12 VAL 54 89.485 -6.500 9.778 402 3HG1 VAL 54 HG11 VAL 54 89.216 -4.903 10.473 403 1HG2 VAL 54 HG22 VAL 54 92.552 -6.643 9.450 404 2HG2 VAL 54 HG21 VAL 54 92.617 -7.258 11.103 405 3HG2 VAL 54 HG23 VAL 54 91.272 -7.697 10.050 406 H LYS 55 HN LYS 55 91.235 -2.558 9.096 407 HA LYS 55 HA LYS 55 89.897 -1.108 11.350 408 1HB LYS 55 2HB LYS 55 91.371 -0.056 8.936 409 2HB LYS 55 3HB LYS 55 90.205 0.942 9.804 410 1HG LYS 55 2HG LYS 55 92.181 1.483 10.925 411 2HG LYS 55 3HG LYS 55 91.563 0.173 11.929 412 1HD LYS 55 2HD LYS 55 92.976 -1.438 10.721 413 2HD LYS 55 3HD LYS 55 93.583 -0.137 9.695 414 1HE LYS 55 2HE LYS 55 93.805 0.022 12.703 415 2HE LYS 55 3HE LYS 55 95.026 -0.809 11.740 416 1HZ LYS 55 HZ1 LYS 55 94.447 1.660 10.545 417 2HZ LYS 55 HZ3 LYS 55 94.764 1.927 12.190 418 3HZ LYS 55 HZ2 LYS 55 95.912 1.132 11.223 419 H HIS 56 HN HIS 56 87.946 0.062 10.826 420 HA HIS 56 HA HIS 56 86.502 -1.016 8.438 421 1HB HIS 56 2HB HIS 56 85.479 -0.455 11.229 422 2HB HIS 56 3HB HIS 56 84.408 -0.653 9.845 423 HD1 HIS 56 HD1 HIS 56 85.956 -2.982 8.434 424 HD2 HIS 56 HD2 HIS 56 84.969 -2.889 12.480 425 HE1 HIS 56 HE1 HIS 56 85.877 -5.392 9.211 426 H CYS 57 HN CYS 57 87.561 1.053 7.533 427 HA CYS 57 HA CYS 57 86.820 3.642 8.445 428 1HB CYS 57 2HB CYS 57 87.421 2.724 5.619 429 2HB CYS 57 3HB CYS 57 87.414 4.400 6.168 430 HG CYS 57 HG CYS 57 89.415 3.754 7.794 431 H VAL 58 HN VAL 58 85.111 4.982 7.943 432 HA VAL 58 HA VAL 58 82.706 3.626 6.838 433 HB VAL 58 HB VAL 58 82.737 4.715 9.146 434 1HG1 VAL 58 HG13 VAL 58 83.966 6.770 7.908 435 2HG1 VAL 58 HG12 VAL 58 82.298 7.334 7.804 436 3HG1 VAL 58 HG11 VAL 58 83.010 6.980 9.378 437 1HG2 VAL 58 HG21 VAL 58 80.675 4.239 7.687 438 2HG2 VAL 58 HG23 VAL 58 80.481 5.466 8.939 439 3HG2 VAL 58 HG22 VAL 58 80.718 5.950 7.259 440 H ILE 59 HN ILE 59 81.568 4.502 5.106 441 HA ILE 59 HA ILE 59 82.829 6.843 3.735 442 HB ILE 59 HB ILE 59 81.230 4.580 2.494 443 1HG1 ILE 59 HG12 ILE 59 83.390 3.752 3.279 444 2HG1 ILE 59 HG11 ILE 59 83.439 3.913 1.523 445 1HG2 ILE 59 HG23 ILE 59 81.368 7.015 1.486 446 2HG2 ILE 59 HG22 ILE 59 82.987 6.505 1.007 447 3HG2 ILE 59 HG21 ILE 59 81.575 5.615 0.436 448 1HD1 ILE 59 HD13 ILE 59 84.345 6.325 2.054 449 2HD1 ILE 59 HD12 ILE 59 84.759 5.614 3.615 450 3HD1 ILE 59 HD11 ILE 59 85.440 4.945 2.133 451 H ASN 60 HN ASN 60 81.374 8.549 3.162 452 HA ASN 60 HA ASN 60 78.566 8.102 4.126 453 1HB ASN 60 2HB ASN 60 80.207 10.651 4.056 454 2HB ASN 60 3HB ASN 60 78.504 10.573 4.506 455 1HD2 ASN 60 HD22 ASN 60 79.753 8.179 7.259 456 2HD2 ASN 60 HD21 ASN 60 79.025 7.823 5.768 457 H LYS 61 HN LYS 61 76.954 8.312 2.653 458 HA LYS 61 HA LYS 61 77.662 9.122 -0.101 459 1HB LYS 61 2HB LYS 61 76.294 7.070 0.374 460 2HB LYS 61 3HB LYS 61 75.020 8.118 0.996 461 1HG LYS 61 2HG LYS 61 75.198 9.342 -1.281 462 2HG LYS 61 3HG LYS 61 76.053 7.897 -1.825 463 1HD LYS 61 2HD LYS 61 74.056 6.579 -0.850 464 2HD LYS 61 3HD LYS 61 73.215 8.125 -0.823 465 1HE LYS 61 2HE LYS 61 73.463 8.393 -3.201 466 2HE LYS 61 3HE LYS 61 74.551 7.009 -3.299 467 1HZ LYS 61 HZ1 LYS 61 71.694 6.912 -2.488 468 2HZ LYS 61 HZ3 LYS 61 72.311 6.424 -3.989 469 3HZ LYS 61 HZ2 LYS 61 72.744 5.578 -2.581 470 H THR 62 HN THR 62 77.375 11.208 -0.720 471 HA THR 62 HA THR 62 74.929 12.646 -0.019 472 HB THR 62 HB THR 62 77.594 13.736 0.910 473 HG1 THR 62 HG1 THR 62 76.898 13.277 2.922 474 1HG2 THR 62 HG23 THR 62 74.894 14.884 0.540 475 2HG2 THR 62 HG22 THR 62 75.689 15.278 2.063 476 3HG2 THR 62 HG21 THR 62 76.467 15.682 0.533 477 H ALA 63 HN ALA 63 74.917 14.817 -1.140 478 HA ALA 63 HA ALA 63 75.748 14.550 -3.853 479 1HB ALA 63 HB3 ALA 63 74.923 16.979 -2.230 480 2HB ALA 63 HB2 ALA 63 75.221 17.033 -3.967 481 3HB ALA 63 HB1 ALA 63 73.916 16.034 -3.325 482 H THR 64 HN THR 64 77.165 16.284 -1.093 483 HA THR 64 HA THR 64 79.658 16.578 -2.701 484 HB THR 64 HB THR 64 79.755 18.536 -0.756 485 HG1 THR 64 HG1 THR 64 77.726 18.623 -0.154 486 1HG2 THR 64 HG23 THR 64 78.721 18.720 -3.598 487 2HG2 THR 64 HG22 THR 64 79.325 20.078 -2.648 488 3HG2 THR 64 HG21 THR 64 80.417 18.772 -3.111 489 H GLY 65 HN GLY 65 78.861 14.373 -0.808 490 1HA GLY 65 2HA GLY 65 81.026 14.824 1.212 491 2HA GLY 65 3HA GLY 65 79.587 13.890 1.583 492 H TYR 66 HN TYR 66 79.277 11.868 0.195 493 HA TYR 66 HA TYR 66 80.110 9.818 -0.593 494 1HB TYR 66 2HB TYR 66 82.469 11.499 -1.498 495 2HB TYR 66 3HB TYR 66 82.086 9.868 -2.044 496 HD1 TYR 66 HD1 TYR 66 79.786 9.483 -3.153 497 HD2 TYR 66 HD2 TYR 66 81.506 13.370 -2.541 498 HE1 TYR 66 HE1 TYR 66 78.266 10.426 -4.874 499 HE2 TYR 66 HE2 TYR 66 79.992 14.312 -4.262 500 HH TYR 66 HH TYR 66 77.325 12.558 -5.524 501 H GLY 67 HN GLY 67 81.643 11.717 1.728 502 1HA GLY 67 2HA GLY 67 82.352 10.130 3.671 503 2HA GLY 67 3HA GLY 67 83.516 9.523 2.493 504 H PHE 68 HN PHE 68 84.877 11.379 1.445 505 HA PHE 68 HA PHE 68 85.741 13.162 3.676 506 1HB PHE 68 2HB PHE 68 87.211 12.186 1.208 507 2HB PHE 68 3HB PHE 68 87.878 13.338 2.366 508 HD1 PHE 68 HD1 PHE 68 88.087 12.625 4.813 509 HD2 PHE 68 HD2 PHE 68 87.274 9.852 1.633 510 HE1 PHE 68 HE1 PHE 68 88.806 10.748 6.265 511 HE2 PHE 68 HE2 PHE 68 87.992 7.975 3.086 512 HZ PHE 68 HZ PHE 68 88.760 8.424 5.402 513 H ALA 69 HN ALA 69 85.452 15.357 3.435 514 HA ALA 69 HA ALA 69 85.319 16.535 0.736 515 1HB ALA 69 HB3 ALA 69 82.935 16.186 2.504 516 2HB ALA 69 HB2 ALA 69 83.088 17.707 1.621 517 3HB ALA 69 HB1 ALA 69 83.037 16.176 0.745 518 H GLU 70 HN GLU 70 86.048 16.704 4.012 519 HA GLU 70 HA GLU 70 85.741 19.513 4.505 520 1HB GLU 70 2HB GLU 70 86.185 17.719 6.251 521 2HB GLU 70 3HB GLU 70 87.866 17.730 5.722 522 1HG GLU 70 2HG GLU 70 87.996 20.153 6.195 523 2HG GLU 70 3HG GLU 70 86.328 20.119 6.771 524 HA PRO 71 HA PRO 71 90.241 19.794 2.826 525 1HB PRO 71 2HB PRO 71 90.794 17.627 1.054 526 2HB PRO 71 3HB PRO 71 91.508 17.923 2.645 527 1HG PRO 71 2HG PRO 71 89.808 15.825 1.959 528 2HG PRO 71 3HG PRO 71 90.257 16.322 3.595 529 1HD PRO 71 2HD PRO 71 87.737 16.840 2.098 530 2HD PRO 71 3HD PRO 71 88.012 16.713 3.848 531 H TYR 72 HN TYR 72 88.162 18.044 0.513 532 HA TYR 72 HA TYR 72 87.976 20.418 -1.174 533 1HB TYR 72 2HB TYR 72 90.118 19.454 -1.937 534 2HB TYR 72 3HB TYR 72 89.324 17.905 -2.223 535 HD1 TYR 72 HD1 TYR 72 88.736 21.528 -3.024 536 HD2 TYR 72 HD2 TYR 72 88.705 17.467 -4.429 537 HE1 TYR 72 HE1 TYR 72 88.025 22.308 -5.269 538 HE2 TYR 72 HE2 TYR 72 87.994 18.253 -6.674 539 HH TYR 72 HH TYR 72 88.357 20.887 -7.893 540 H ASN 73 HN ASN 73 86.118 20.315 -2.443 541 HA ASN 73 HA ASN 73 84.351 17.995 -1.887 542 1HB ASN 73 2HB ASN 73 83.746 20.704 -3.105 543 2HB ASN 73 3HB ASN 73 82.551 19.461 -2.738 544 1HD2 ASN 73 HD22 ASN 73 83.804 19.926 0.883 545 2HD2 ASN 73 HD21 ASN 73 84.233 18.738 -0.250 546 H LEU 74 HN LEU 74 84.491 16.413 -3.385 547 HA LEU 74 HA LEU 74 83.970 17.019 -6.194 548 1HB LEU 74 2HB LEU 74 86.584 17.079 -5.486 549 2HB LEU 74 3HB LEU 74 86.410 15.358 -5.792 550 HG LEU 74 HG LEU 74 87.090 16.495 -7.838 551 1HD1 LEU 74 HD13 LEU 74 84.166 15.691 -7.931 552 2HD1 LEU 74 HD12 LEU 74 85.246 15.792 -9.320 553 3HD1 LEU 74 HD11 LEU 74 85.538 14.589 -8.066 554 1HD2 LEU 74 HD21 LEU 74 85.530 18.573 -6.877 555 2HD2 LEU 74 HD23 LEU 74 86.261 18.502 -8.478 556 3HD2 LEU 74 HD22 LEU 74 84.595 17.974 -8.245 557 H TYR 75 HN TYR 75 85.526 14.153 -6.275 558 HA TYR 75 HA TYR 75 84.808 11.920 -6.239 559 1HB TYR 75 2HB TYR 75 83.105 12.859 -3.920 560 2HB TYR 75 3HB TYR 75 83.652 11.210 -4.231 561 HD1 TYR 75 HD1 TYR 75 86.301 10.953 -4.507 562 HD2 TYR 75 HD2 TYR 75 84.329 14.187 -2.487 563 HE1 TYR 75 HE1 TYR 75 88.402 11.470 -3.283 564 HE2 TYR 75 HE2 TYR 75 86.420 14.709 -1.269 565 HH TYR 75 HH TYR 75 89.266 12.647 -1.504 566 H SER 76 HN SER 76 83.540 13.326 -8.179 567 HA SER 76 HA SER 76 80.727 13.547 -8.056 568 1HB SER 76 2HB SER 76 82.493 12.797 -10.397 569 2HB SER 76 3HB SER 76 80.795 13.242 -10.536 570 HG SER 76 HG SER 76 82.553 14.913 -9.130 571 H SER 77 HN SER 77 82.776 10.720 -8.590 572 HA SER 77 HA SER 77 80.286 9.071 -8.458 573 1HB SER 77 2HB SER 77 81.162 9.032 -10.754 574 2HB SER 77 3HB SER 77 82.742 8.532 -10.158 575 HG SER 77 HG SER 77 80.510 7.064 -10.625 576 H LEU 78 HN LEU 78 80.511 7.046 -7.356 577 HA LEU 78 HA LEU 78 82.157 7.048 -5.047 578 1HB LEU 78 2HB LEU 78 80.834 4.742 -6.511 579 2HB LEU 78 3HB LEU 78 81.589 4.590 -4.925 580 HG LEU 78 HG LEU 78 79.372 6.560 -5.547 581 1HD1 LEU 78 HD12 LEU 78 79.257 3.805 -4.275 582 2HD1 LEU 78 HD11 LEU 78 77.931 4.969 -4.254 583 3HD1 LEU 78 HD13 LEU 78 78.493 4.301 -5.785 584 1HD2 LEU 78 HD22 LEU 78 80.903 5.742 -3.092 585 2HD2 LEU 78 HD21 LEU 78 80.462 7.359 -3.639 586 3HD2 LEU 78 HD23 LEU 78 79.239 6.303 -2.931 587 H LYS 79 HN LYS 79 82.708 5.703 -8.276 588 HA LYS 79 HA LYS 79 84.995 4.119 -7.695 589 1HB LYS 79 2HB LYS 79 84.196 5.683 -10.166 590 2HB LYS 79 3HB LYS 79 85.602 4.619 -10.123 591 1HG LYS 79 2HG LYS 79 84.202 2.705 -9.585 592 2HG LYS 79 3HG LYS 79 82.780 3.740 -9.442 593 1HD LYS 79 2HD LYS 79 83.016 4.374 -11.825 594 2HD LYS 79 3HD LYS 79 84.401 3.294 -11.964 595 1HE LYS 79 2HE LYS 79 83.069 1.362 -11.633 596 2HE LYS 79 3HE LYS 79 81.715 2.303 -11.006 597 1HZ LYS 79 HZ1 LYS 79 81.844 3.417 -13.334 598 2HZ LYS 79 HZ3 LYS 79 82.632 1.982 -13.777 599 3HZ LYS 79 HZ2 LYS 79 81.053 1.924 -13.150 600 H GLU 80 HN GLU 80 84.657 7.584 -8.397 601 HA GLU 80 HA GLU 80 87.428 8.244 -8.491 602 1HB GLU 80 2HB GLU 80 85.061 9.872 -7.519 603 2HB GLU 80 3HB GLU 80 86.671 10.530 -7.804 604 1HG GLU 80 2HG GLU 80 86.547 9.895 -10.162 605 2HG GLU 80 3HG GLU 80 84.967 9.149 -9.895 606 H LEU 81 HN LEU 81 85.161 7.970 -5.762 607 HA LEU 81 HA LEU 81 86.931 8.963 -3.763 608 1HB LEU 81 2HB LEU 81 84.500 8.576 -3.403 609 2HB LEU 81 3HB LEU 81 84.792 6.836 -3.451 610 HG LEU 81 HG LEU 81 86.509 8.401 -1.600 611 1HD1 LEU 81 HD11 LEU 81 84.298 9.452 -1.265 612 2HD1 LEU 81 HD13 LEU 81 83.582 7.860 -1.021 613 3HD1 LEU 81 HD12 LEU 81 84.764 8.481 0.132 614 1HD2 LEU 81 HD21 LEU 81 85.001 5.770 -1.478 615 2HD2 LEU 81 HD23 LEU 81 86.736 5.987 -1.707 616 3HD2 LEU 81 HD22 LEU 81 85.993 6.395 -0.161 617 H VAL 82 HN VAL 82 86.345 5.646 -4.922 618 HA VAL 82 HA VAL 82 88.317 4.438 -3.201 619 HB VAL 82 HB VAL 82 87.193 3.484 -5.854 620 1HG1 VAL 82 HG13 VAL 82 88.713 2.058 -3.650 621 2HG1 VAL 82 HG12 VAL 82 87.873 1.232 -4.963 622 3HG1 VAL 82 HG11 VAL 82 89.233 2.296 -5.318 623 1HG2 VAL 82 HG22 VAL 82 86.340 2.956 -2.984 624 2HG2 VAL 82 HG21 VAL 82 85.433 3.867 -4.190 625 3HG2 VAL 82 HG23 VAL 82 85.679 2.133 -4.396 626 H LEU 83 HN LEU 83 88.372 5.581 -6.590 627 HA LEU 83 HA LEU 83 91.081 4.810 -7.134 628 1HB LEU 83 2HB LEU 83 89.456 5.374 -8.923 629 2HB LEU 83 3HB LEU 83 89.448 7.050 -8.381 630 HG LEU 83 HG LEU 83 92.022 6.953 -8.748 631 1HD1 LEU 83 HD13 LEU 83 92.073 4.469 -9.029 632 2HD1 LEU 83 HD12 LEU 83 91.122 4.646 -10.501 633 3HD1 LEU 83 HD11 LEU 83 92.749 5.319 -10.418 634 1HD2 LEU 83 HD22 LEU 83 89.943 6.931 -10.946 635 2HD2 LEU 83 HD21 LEU 83 90.696 8.329 -10.180 636 3HD2 LEU 83 HD23 LEU 83 91.635 7.306 -11.267 637 H HIS 84 HN HIS 84 89.688 7.915 -6.037 638 HA HIS 84 HA HIS 84 92.168 9.341 -5.998 639 1HB HIS 84 2HB HIS 84 89.901 10.389 -5.872 640 2HB HIS 84 3HB HIS 84 89.763 9.798 -4.216 641 HD1 HIS 84 HD1 HIS 84 91.185 10.967 -2.401 642 HD2 HIS 84 HD2 HIS 84 91.806 12.505 -6.226 643 HE1 HIS 84 HE1 HIS 84 92.454 13.141 -2.104 644 H TYR 85 HN TYR 85 90.553 7.418 -3.454 645 HA TYR 85 HA TYR 85 92.525 8.144 -1.456 646 1HB TYR 85 2HB TYR 85 90.080 6.567 -1.558 647 2HB TYR 85 3HB TYR 85 91.323 5.790 -0.575 648 HD1 TYR 85 HD2 TYR 85 90.537 9.405 -1.210 649 HD2 TYR 85 HD1 TYR 85 90.878 6.238 1.673 650 HE1 TYR 85 HE2 TYR 85 90.144 11.029 0.623 651 HE2 TYR 85 HE1 TYR 85 90.485 7.864 3.503 652 HH TYR 85 HH TYR 85 90.280 11.327 2.861 653 H GLN 86 HN GLN 86 92.597 5.835 -4.017 654 HA GLN 86 HA GLN 86 94.251 3.852 -2.728 655 1HB GLN 86 2HB GLN 86 94.523 2.893 -4.834 656 2HB GLN 86 3HB GLN 86 93.027 3.795 -5.075 657 1HG GLN 86 2HG GLN 86 94.403 5.715 -5.952 658 2HG GLN 86 3HG GLN 86 95.824 4.681 -5.851 659 1HE2 GLN 86 HE22 GLN 86 94.012 2.405 -8.323 660 2HE2 GLN 86 HE21 GLN 86 94.280 2.237 -6.655 661 H HIS 87 HN HIS 87 94.878 7.003 -4.080 662 HA HIS 87 HA HIS 87 97.794 6.562 -4.119 663 1HB HIS 87 2HB HIS 87 96.683 8.006 -5.831 664 2HB HIS 87 3HB HIS 87 96.234 9.126 -4.542 665 HD1 HIS 87 HD1 HIS 87 99.419 7.492 -5.895 666 HD2 HIS 87 HD2 HIS 87 98.191 11.015 -4.029 667 HE1 HIS 87 HE1 HIS 87 101.457 8.990 -5.779 668 H THR 88 HN THR 88 95.372 8.245 -2.165 669 HA THR 88 HA THR 88 97.411 9.426 -0.412 670 HB THR 88 HB THR 88 94.399 9.295 -0.104 671 HG1 THR 88 HG1 THR 88 95.750 11.606 -0.822 672 1HG2 THR 88 HG22 THR 88 96.509 10.195 1.631 673 2HG2 THR 88 HG21 THR 88 95.554 11.582 1.103 674 3HG2 THR 88 HG23 THR 88 94.767 10.227 1.907 675 H SER 89 HN SER 89 97.761 8.887 1.740 676 HA SER 89 HA SER 89 97.186 6.053 2.397 677 1HB SER 89 2HB SER 89 99.227 8.070 3.296 678 2HB SER 89 3HB SER 89 98.957 6.588 4.214 679 HG SER 89 HG SER 89 100.112 6.992 1.730 680 H LEU 90 HN LEU 90 95.801 5.524 3.997 681 HA LEU 90 HA LEU 90 94.129 7.443 5.280 682 1HB LEU 90 2HB LEU 90 94.704 4.525 5.802 683 2HB LEU 90 3HB LEU 90 93.541 5.434 6.770 684 HG LEU 90 HG LEU 90 93.207 5.827 3.880 685 1HD1 LEU 90 HD12 LEU 90 92.926 3.068 5.105 686 2HD1 LEU 90 HD11 LEU 90 92.151 3.546 3.594 687 3HD1 LEU 90 HD13 LEU 90 93.911 3.524 3.715 688 1HD2 LEU 90 HD23 LEU 90 91.444 5.003 6.204 689 2HD2 LEU 90 HD22 LEU 90 91.539 6.594 5.447 690 3HD2 LEU 90 HD21 LEU 90 90.837 5.238 4.564 691 H VAL 91 HN VAL 91 97.295 6.415 5.991 692 HA VAL 91 HA VAL 91 97.980 6.310 8.550 693 HB VAL 91 HB VAL 91 99.497 7.017 6.676 694 1HG1 VAL 91 HG12 VAL 91 97.978 9.017 6.106 695 2HG1 VAL 91 HG11 VAL 91 98.756 9.840 7.458 696 3HG1 VAL 91 HG13 VAL 91 99.718 9.303 6.083 697 1HG2 VAL 91 HG21 VAL 91 99.566 8.077 9.461 698 2HG2 VAL 91 HG23 VAL 91 100.696 7.000 8.639 699 3HG2 VAL 91 HG22 VAL 91 100.746 8.735 8.329 700 H GLN 92 HN GLN 92 96.412 9.221 7.235 701 HA GLN 92 HA GLN 92 96.605 10.883 9.528 702 1HB GLN 92 2HB GLN 92 94.803 12.170 8.539 703 2HB GLN 92 3HB GLN 92 95.880 11.619 7.254 704 1HG GLN 92 2HG GLN 92 94.344 9.679 6.873 705 2HG GLN 92 3HG GLN 92 93.236 10.374 8.057 706 1HE2 GLN 92 HE22 GLN 92 93.775 12.423 4.529 707 2HE2 GLN 92 HE21 GLN 92 95.059 11.501 5.147 708 H HIS 93 HN HIS 93 94.013 8.550 8.663 709 HA HIS 93 HA HIS 93 92.296 9.234 10.839 710 1HB HIS 93 2HB HIS 93 92.713 6.712 9.237 711 2HB HIS 93 3HB HIS 93 91.611 6.723 10.614 712 HD1 HIS 93 HD1 HIS 93 89.434 8.041 10.392 713 HD2 HIS 93 HD2 HIS 93 91.852 8.338 7.010 714 HE1 HIS 93 HE1 HIS 93 88.016 9.113 8.592 715 H ASN 94 HN ASN 94 94.927 6.933 10.515 716 HA ASN 94 HA ASN 94 95.291 6.996 13.469 717 1HB ASN 94 2HB ASN 94 95.398 4.567 11.644 718 2HB ASN 94 3HB ASN 94 96.019 4.578 13.295 719 1HD2 ASN 94 HD22 ASN 94 92.426 3.408 13.305 720 2HD2 ASN 94 HD21 ASN 94 93.818 2.879 12.488 721 H ASP 95 HN ASP 95 97.275 7.977 13.718 722 HA ASP 95 HA ASP 95 99.059 8.701 11.765 723 1HB ASP 95 2HB ASP 95 99.679 7.793 14.588 724 2HB ASP 95 3HB ASP 95 100.898 8.493 13.523 725 H SER 96 HN SER 96 98.345 5.496 12.620 726 HA SER 96 HA SER 96 100.828 4.590 11.252 727 1HB SER 96 2HB SER 96 100.628 3.740 13.544 728 2HB SER 96 3HB SER 96 99.026 3.099 13.183 729 HG SER 96 HG SER 96 101.510 2.337 12.023 730 H LEU 97 HN LEU 97 98.118 5.449 10.067 731 HA LEU 97 HA LEU 97 97.359 2.841 8.829 732 1HB LEU 97 2HB LEU 97 96.023 5.418 9.270 733 2HB LEU 97 3HB LEU 97 95.760 4.757 7.658 734 HG LEU 97 HG LEU 97 95.495 3.012 10.097 735 1HD1 LEU 97 HD12 LEU 97 94.007 5.193 10.058 736 2HD1 LEU 97 HD11 LEU 97 93.090 4.291 8.849 737 3HD1 LEU 97 HD13 LEU 97 93.293 3.637 10.474 738 1HD2 LEU 97 HD23 LEU 97 95.299 2.644 7.290 739 2HD2 LEU 97 HD22 LEU 97 94.942 1.470 8.556 740 3HD2 LEU 97 HD21 LEU 97 93.662 2.510 7.933 741 H ASN 98 HN ASN 98 99.823 3.319 8.042 742 HA ASN 98 HA ASN 98 99.976 5.069 5.718 743 1HB ASN 98 2HB ASN 98 101.893 4.402 7.277 744 2HB ASN 98 3HB ASN 98 101.900 2.850 6.436 745 1HD2 ASN 98 HD22 ASN 98 102.538 6.006 3.908 746 2HD2 ASN 98 HD21 ASN 98 101.179 5.989 4.923 747 H VAL 99 HN VAL 99 97.974 3.959 4.847 748 HA VAL 99 HA VAL 99 98.813 1.937 2.866 749 HB VAL 99 HB VAL 99 96.527 1.559 4.820 750 1HG1 VAL 99 HG11 VAL 99 97.007 0.508 2.136 751 2HG1 VAL 99 HG13 VAL 99 96.812 -0.764 3.344 752 3HG1 VAL 99 HG12 VAL 99 95.547 0.444 3.123 753 1HG2 VAL 99 HG21 VAL 99 99.052 -0.036 4.300 754 2HG2 VAL 99 HG23 VAL 99 98.737 0.964 5.715 755 3HG2 VAL 99 HG22 VAL 99 97.778 -0.488 5.432 756 H THR 100 HN THR 100 97.340 1.861 1.065 757 HA THR 100 HA THR 100 95.299 4.049 0.990 758 HB THR 100 HB THR 100 95.985 4.733 -1.158 759 HG1 THR 100 HG1 THR 100 96.464 3.134 -2.420 760 1HG2 THR 100 HG23 THR 100 97.993 4.526 0.888 761 2HG2 THR 100 HG22 THR 100 98.749 4.378 -0.696 762 3HG2 THR 100 HG21 THR 100 97.768 5.793 -0.316 763 H LEU 101 HN LEU 101 93.655 3.583 -0.777 764 HA LEU 101 HA LEU 101 92.947 0.749 -0.656 765 1HB LEU 101 2HB LEU 101 91.621 2.948 -2.274 766 2HB LEU 101 3HB LEU 101 90.910 1.415 -1.768 767 HG LEU 101 HG LEU 101 91.766 3.691 0.043 768 1HD1 LEU 101 HD11 LEU 101 89.155 2.555 -0.911 769 2HD1 LEU 101 HD13 LEU 101 89.242 3.333 0.668 770 3HD1 LEU 101 HD12 LEU 101 89.648 4.244 -0.789 771 1HD2 LEU 101 HD21 LEU 101 91.139 0.822 0.538 772 2HD2 LEU 101 HD23 LEU 101 92.232 1.888 1.409 773 3HD2 LEU 101 HD22 LEU 101 90.492 1.994 1.681 774 H ALA 102 HN ALA 102 95.092 0.242 -1.777 775 HA ALA 102 HA ALA 102 95.054 0.758 -4.685 776 1HB ALA 102 HB3 ALA 102 97.097 0.812 -2.925 777 2HB ALA 102 HB2 ALA 102 97.239 -0.852 -3.488 778 3HB ALA 102 HB1 ALA 102 97.315 0.478 -4.644 779 H TYR 103 HN TYR 103 94.693 -2.040 -2.473 780 HA TYR 103 HA TYR 103 94.464 -3.731 -4.936 781 1HB TYR 103 2HB TYR 103 95.134 -4.521 -2.096 782 2HB TYR 103 3HB TYR 103 94.863 -5.669 -3.404 783 HD1 TYR 103 HD1 TYR 103 96.197 -5.017 -5.653 784 HD2 TYR 103 HD2 TYR 103 97.342 -3.937 -1.658 785 HE1 TYR 103 HE1 TYR 103 98.538 -4.724 -6.407 786 HE2 TYR 103 HE2 TYR 103 99.689 -3.641 -2.411 787 HH TYR 103 HH TYR 103 100.558 -3.932 -5.842 788 HA PRO 104 HA PRO 104 90.051 -3.801 -3.797 789 1HB PRO 104 2HB PRO 104 89.878 -5.734 -6.007 790 2HB PRO 104 3HB PRO 104 89.046 -4.183 -5.792 791 1HG PRO 104 2HG PRO 104 91.024 -4.596 -7.603 792 2HG PRO 104 3HG PRO 104 90.650 -3.022 -6.885 793 1HD PRO 104 2HD PRO 104 92.938 -4.839 -6.335 794 2HD PRO 104 3HD PRO 104 92.822 -3.073 -6.161 795 H VAL 105 HN VAL 105 88.843 -5.400 -2.672 796 HA VAL 105 HA VAL 105 90.342 -7.616 -1.607 797 HB VAL 105 HB VAL 105 88.550 -6.546 -0.331 798 1HG1 VAL 105 HG12 VAL 105 87.078 -6.171 -2.365 799 2HG1 VAL 105 HG11 VAL 105 86.626 -7.871 -2.258 800 3HG1 VAL 105 HG13 VAL 105 86.232 -6.770 -0.939 801 1HG2 VAL 105 HG22 VAL 105 88.871 -9.383 -0.765 802 2HG2 VAL 105 HG21 VAL 105 88.483 -8.538 0.733 803 3HG2 VAL 105 HG23 VAL 105 87.191 -9.038 -0.359 804 H TYR 106 HN TYR 106 87.869 -7.381 -4.150 805 HA TYR 106 HA TYR 106 88.148 -10.308 -4.617 806 1HB TYR 106 2HB TYR 106 86.144 -8.269 -5.566 807 2HB TYR 106 3HB TYR 106 86.206 -9.896 -6.224 808 HD1 TYR 106 HD1 TYR 106 86.332 -11.796 -4.277 809 HD2 TYR 106 HD2 TYR 106 84.646 -7.868 -3.848 810 HE1 TYR 106 HE1 TYR 106 84.935 -12.601 -2.390 811 HE2 TYR 106 HE2 TYR 106 83.244 -8.675 -1.971 812 HH TYR 106 HH TYR 106 83.698 -11.838 -0.557 813 H ALA 107 HN ALA 107 90.195 -8.255 -5.371 814 HA ALA 107 HA ALA 107 90.146 -7.754 -8.180 815 1HB ALA 107 HB1 ALA 107 91.950 -7.353 -6.016 816 2HB ALA 107 HB3 ALA 107 92.842 -8.173 -7.296 817 3HB ALA 107 HB2 ALA 107 92.023 -6.647 -7.630 818 H GLN 108 HN GLN 108 90.840 -8.981 -9.931 819 HA GLN 108 HA GLN 108 91.250 -11.865 -9.403 820 1HB GLN 108 2HB GLN 108 90.779 -10.288 -11.947 821 2HB GLN 108 3HB GLN 108 91.066 -12.027 -11.919 822 1HG GLN 108 2HG GLN 108 89.119 -12.219 -10.304 823 2HG GLN 108 3HG GLN 108 88.768 -10.523 -10.644 824 1HE2 GLN 108 HE22 GLN 108 88.313 -11.507 -14.264 825 2HE2 GLN 108 HE21 GLN 108 89.465 -10.554 -13.458 826 H GLN 109 HN GLN 109 93.194 -12.897 -9.727 827 HA GLN 109 HA GLN 109 95.531 -11.195 -10.400 828 1HB GLN 109 2HB GLN 109 95.350 -14.036 -9.349 829 2HB GLN 109 3HB GLN 109 96.856 -13.168 -9.640 830 1HG GLN 109 2HG GLN 109 96.094 -11.400 -8.047 831 2HG GLN 109 3HG GLN 109 94.674 -12.382 -7.689 832 1HE2 GLN 109 HE22 GLN 109 97.433 -13.137 -5.216 833 2HE2 GLN 109 HE21 GLN 109 96.692 -11.692 -5.712 834 H ARG 110 HN ARG 110 93.365 -12.946 -12.131 835 HA ARG 110 HA ARG 110 95.452 -13.908 -14.047 836 1HB ARG 110 2HB ARG 110 93.992 -15.695 -13.109 837 2HB ARG 110 3HB ARG 110 92.583 -14.852 -13.752 838 1HG ARG 110 2HG ARG 110 93.042 -16.417 -15.437 839 2HG ARG 110 3HG ARG 110 93.861 -14.972 -16.029 840 1HD ARG 110 2HD ARG 110 95.987 -15.783 -15.046 841 2HD ARG 110 3HD ARG 110 95.165 -17.241 -14.493 842 HE ARG 110 HE ARG 110 94.647 -17.157 -17.224 843 1HH1 ARG 110 HH21 ARG 110 97.440 -17.134 -15.176 844 2HH1 ARG 110 HH22 ARG 110 98.464 -17.872 -16.363 845 1HH2 ARG 110 HH11 ARG 110 95.973 -18.128 -18.754 846 2HH2 ARG 110 HH12 ARG 110 97.642 -18.413 -18.391 847 H ARG 111 HN ARG 111 95.336 -13.143 -16.170 848 HA ARG 111 HA ARG 111 94.780 -11.532 -17.803 849 1HB ARG 111 2HB ARG 111 92.151 -12.816 -17.053 850 2HB ARG 111 3HB ARG 111 92.267 -11.626 -18.351 851 1HG ARG 111 2HG ARG 111 93.958 -13.002 -19.485 852 2HG ARG 111 3HG ARG 111 93.882 -14.186 -18.180 853 1HD ARG 111 2HD ARG 111 91.616 -14.753 -18.700 854 2HD ARG 111 3HD ARG 111 91.462 -13.386 -19.806 855 HE ARG 111 HE ARG 111 93.498 -14.820 -20.945 856 1HH1 ARG 111 HH21 ARG 111 90.393 -15.589 -19.687 857 2HH1 ARG 111 HH22 ARG 111 90.083 -16.850 -20.833 858 1HH2 ARG 111 HH11 ARG 111 93.120 -16.454 -22.474 859 2HH2 ARG 111 HH12 ARG 111 91.639 -17.351 -22.407 No H/Q in entry = 859 Start of MODEL 21 1 1H GLU 1 HT3 GLU 1 95.670 -2.739 -18.951 2 2H GLU 1 HT2 GLU 1 96.059 -1.278 -19.726 3 3H GLU 1 HT1 GLU 1 97.135 -2.591 -19.793 4 HA GLU 1 HA GLU 1 97.529 -2.445 -17.425 5 1HB GLU 1 2HB GLU 1 98.615 -0.177 -17.432 6 2HB GLU 1 3HB GLU 1 99.008 -1.156 -18.847 7 1HG GLU 1 2HG GLU 1 97.189 -0.003 -20.106 8 2HG GLU 1 3HG GLU 1 96.913 1.031 -18.704 9 H ASP 2 HN ASP 2 94.576 -1.572 -18.180 10 HA ASP 2 HA ASP 2 93.960 0.682 -16.522 11 1HB ASP 2 2HB ASP 2 91.634 -0.123 -16.682 12 2HB ASP 2 3HB ASP 2 92.430 -0.194 -18.254 13 H LEU 3 HN LEU 3 93.152 0.734 -14.361 14 HA LEU 3 HA LEU 3 94.097 -1.496 -12.673 15 1HB LEU 3 2HB LEU 3 93.110 1.299 -12.121 16 2HB LEU 3 3HB LEU 3 93.252 0.121 -10.818 17 HG LEU 3 HG LEU 3 95.284 1.565 -11.102 18 1HD1 LEU 3 HD11 LEU 3 95.140 -1.025 -10.402 19 2HD1 LEU 3 HD13 LEU 3 96.167 -1.188 -11.826 20 3HD1 LEU 3 HD12 LEU 3 96.675 -0.160 -10.486 21 1HD2 LEU 3 HD23 LEU 3 94.968 1.476 -13.692 22 2HD2 LEU 3 HD22 LEU 3 96.607 1.461 -13.040 23 3HD2 LEU 3 HD21 LEU 3 95.861 -0.041 -13.583 24 HA PRO 4 HA PRO 4 90.045 -3.376 -12.462 25 1HB PRO 4 2HB PRO 4 90.603 -4.118 -9.679 26 2HB PRO 4 3HB PRO 4 90.338 -5.160 -11.083 27 1HG PRO 4 2HG PRO 4 92.757 -4.765 -9.853 28 2HG PRO 4 3HG PRO 4 92.537 -5.339 -11.509 29 1HD PRO 4 2HD PRO 4 93.504 -2.720 -10.569 30 2HD PRO 4 3HD PRO 4 93.665 -3.485 -12.167 31 H HIS 5 HN HIS 5 91.177 -0.912 -10.402 32 HA HIS 5 HA HIS 5 89.110 -0.565 -8.530 33 1HB HIS 5 2HB HIS 5 90.791 1.476 -9.995 34 2HB HIS 5 3HB HIS 5 89.711 1.887 -8.662 35 HD1 HIS 5 HD1 HIS 5 90.145 -0.206 -6.633 36 HD2 HIS 5 HD2 HIS 5 93.312 1.265 -8.906 37 HE1 HIS 5 HE1 HIS 5 92.252 -0.723 -5.336 38 H HIS 6 HN HIS 6 89.090 0.050 -11.971 39 HA HIS 6 HA HIS 6 86.911 1.881 -12.035 40 1HB HIS 6 2HB HIS 6 87.879 -0.154 -14.048 41 2HB HIS 6 3HB HIS 6 86.549 0.958 -14.378 42 HD1 HIS 6 HD1 HIS 6 87.618 2.630 -15.939 43 HD2 HIS 6 HD2 HIS 6 89.944 1.936 -12.549 44 HE1 HIS 6 HE1 HIS 6 89.504 4.319 -16.005 45 H ASP 7 HN ASP 7 86.959 -1.613 -11.596 46 HA ASP 7 HA ASP 7 84.014 -1.680 -11.865 47 1HB ASP 7 2HB ASP 7 86.043 -3.890 -11.511 48 2HB ASP 7 3HB ASP 7 84.302 -4.149 -11.625 49 H GLU 8 HN GLU 8 82.689 -1.783 -10.133 50 HA GLU 8 HA GLU 8 83.687 -1.413 -7.457 51 1HB GLU 8 2HB GLU 8 80.938 -2.150 -8.504 52 2HB GLU 8 3HB GLU 8 81.276 -1.762 -6.817 53 1HG GLU 8 2HG GLU 8 81.798 0.479 -7.304 54 2HG GLU 8 3HG GLU 8 82.088 0.138 -9.010 55 H LYS 9 HN LYS 9 82.842 -4.205 -9.363 56 HA LYS 9 HA LYS 9 82.409 -6.138 -7.328 57 1HB LYS 9 2HB LYS 9 82.803 -7.762 -9.017 58 2HB LYS 9 3HB LYS 9 82.145 -6.365 -9.872 59 1HG LYS 9 2HG LYS 9 84.658 -5.648 -10.079 60 2HG LYS 9 3HG LYS 9 84.980 -7.354 -9.775 61 1HD LYS 9 2HD LYS 9 83.536 -7.980 -11.662 62 2HD LYS 9 3HD LYS 9 83.177 -6.280 -11.962 63 1HE LYS 9 2HE LYS 9 85.621 -5.874 -12.318 64 2HE LYS 9 3HE LYS 9 85.892 -7.611 -12.154 65 1HZ LYS 9 HZ3 LYS 9 83.830 -6.767 -14.031 66 2HZ LYS 9 HZ2 LYS 9 85.441 -6.470 -14.484 67 3HZ LYS 9 HZ1 LYS 9 84.930 -8.053 -14.136 68 H THR 10 HN THR 10 85.403 -4.862 -8.683 69 HA THR 10 HA THR 10 87.130 -6.824 -7.511 70 HB THR 10 HB THR 10 88.917 -5.153 -8.020 71 HG1 THR 10 HG1 THR 10 86.678 -3.568 -8.148 72 1HG2 THR 10 HG22 THR 10 86.976 -6.316 -9.856 73 2HG2 THR 10 HG21 THR 10 87.740 -4.878 -10.532 74 3HG2 THR 10 HG23 THR 10 88.732 -6.231 -9.993 75 H TRP 11 HN TRP 11 85.648 -3.915 -6.194 76 HA TRP 11 HA TRP 11 87.141 -4.466 -3.664 77 1HB TRP 11 2HB TRP 11 86.425 -1.833 -3.421 78 2HB TRP 11 3HB TRP 11 88.011 -2.391 -3.954 79 HD1 TRP 11 HD1 TRP 11 88.207 -2.772 -6.701 80 HE1 TRP 11 HE1 TRP 11 87.243 -1.337 -8.606 81 HE3 TRP 11 HE3 TRP 11 84.667 -0.233 -4.099 82 HZ2 TRP 11 HZ2 TRP 11 85.218 0.693 -8.948 83 HZ3 TRP 11 HZ3 TRP 11 83.242 1.454 -5.210 84 HH2 TRP 11 HH2 TRP 11 83.515 1.925 -7.632 85 H ASN 12 HN ASN 12 84.060 -3.746 -5.177 86 HA ASN 12 HA ASN 12 82.790 -3.433 -2.533 87 1HB ASN 12 2HB ASN 12 80.908 -2.642 -3.634 88 2HB ASN 12 3HB ASN 12 82.199 -2.137 -4.722 89 1HD2 ASN 12 HD21 ASN 12 79.475 -2.571 -5.585 90 2HD2 ASN 12 HD22 ASN 12 79.476 -3.883 -6.663 91 H VAL 13 HN VAL 13 81.540 -4.960 -1.548 92 HA VAL 13 HA VAL 13 81.425 -7.620 -2.896 93 HB VAL 13 HB VAL 13 82.780 -7.517 -0.822 94 1HG1 VAL 13 HG13 VAL 13 81.408 -5.669 0.206 95 2HG1 VAL 13 HG12 VAL 13 80.161 -6.866 0.555 96 3HG1 VAL 13 HG11 VAL 13 81.752 -7.007 1.303 97 1HG2 VAL 13 HG21 VAL 13 81.563 -9.589 -1.445 98 2HG2 VAL 13 HG23 VAL 13 81.705 -9.414 0.303 99 3HG2 VAL 13 HG22 VAL 13 80.178 -9.043 -0.498 100 H GLY 14 HN GLY 14 79.508 -4.998 -1.899 101 1HA GLY 14 2HA GLY 14 77.150 -4.843 -2.276 102 2HA GLY 14 3HA GLY 14 77.083 -6.597 -2.427 103 H SER 15 HN SER 15 78.221 -4.454 0.217 104 HA SER 15 HA SER 15 77.632 -4.432 2.486 105 1HB SER 15 2HB SER 15 75.409 -3.860 1.446 106 2HB SER 15 3HB SER 15 74.998 -5.572 1.519 107 HG SER 15 HG SER 15 74.416 -5.137 3.489 108 H SER 16 HN SER 16 79.241 -6.392 2.372 109 HA SER 16 HA SER 16 78.062 -9.029 2.802 110 1HB SER 16 2HB SER 16 80.351 -9.750 3.187 111 2HB SER 16 3HB SER 16 80.332 -8.658 1.807 112 HG SER 16 HG SER 16 81.350 -8.308 4.375 113 H ASN 17 HN ASN 17 78.577 -10.247 4.896 114 HA ASN 17 HA ASN 17 77.599 -8.692 7.145 115 1HB ASN 17 2HB ASN 17 78.705 -11.517 7.016 116 2HB ASN 17 3HB ASN 17 77.929 -10.803 8.431 117 1HD2 ASN 17 HD22 ASN 17 75.350 -12.654 6.398 118 2HD2 ASN 17 HD21 ASN 17 76.823 -13.109 7.108 119 H ARG 18 HN ARG 18 78.755 -7.966 8.933 120 HA ARG 18 HA ARG 18 81.472 -7.225 8.570 121 1HB ARG 18 2HB ARG 18 79.743 -7.407 11.038 122 2HB ARG 18 3HB ARG 18 81.387 -6.765 11.068 123 1HG ARG 18 2HG ARG 18 80.486 -5.315 9.023 124 2HG ARG 18 3HG ARG 18 78.928 -5.623 9.792 125 1HD ARG 18 2HD ARG 18 81.357 -4.490 11.210 126 2HD ARG 18 3HD ARG 18 79.998 -3.530 10.616 127 HE ARG 18 HE ARG 18 78.752 -5.370 12.217 128 1HH1 ARG 18 HH21 ARG 18 81.451 -3.264 12.550 129 2HH1 ARG 18 HH22 ARG 18 81.231 -3.026 14.251 130 1HH2 ARG 18 HH11 ARG 18 78.438 -5.073 14.438 131 2HH2 ARG 18 HH12 ARG 18 79.521 -4.050 15.322 132 H ASN 19 HN ASN 19 80.031 -10.051 10.156 133 HA ASN 19 HA ASN 19 82.461 -11.003 11.347 134 1HB ASN 19 2HB ASN 19 79.937 -12.410 10.446 135 2HB ASN 19 3HB ASN 19 81.272 -13.262 11.225 136 1HD2 ASN 19 HD22 ASN 19 78.659 -11.423 13.572 137 2HD2 ASN 19 HD21 ASN 19 78.353 -11.902 11.972 138 H LYS 20 HN LYS 20 80.956 -11.623 8.156 139 HA LYS 20 HA LYS 20 83.049 -13.420 7.304 140 1HB LYS 20 2HB LYS 20 80.793 -13.301 6.206 141 2HB LYS 20 3HB LYS 20 81.251 -11.730 5.539 142 1HG LYS 20 2HG LYS 20 83.077 -12.698 4.301 143 2HG LYS 20 3HG LYS 20 82.877 -14.250 5.113 144 1HD LYS 20 2HD LYS 20 81.846 -14.513 2.982 145 2HD LYS 20 3HD LYS 20 80.518 -14.300 4.123 146 1HE LYS 20 2HE LYS 20 80.104 -12.094 3.427 147 2HE LYS 20 3HE LYS 20 81.714 -11.915 2.729 148 1HZ LYS 20 HZ1 LYS 20 80.732 -13.969 1.317 149 2HZ LYS 20 HZ3 LYS 20 79.321 -13.064 1.580 150 3HZ LYS 20 HZ2 LYS 20 80.660 -12.346 0.820 151 H ALA 21 HN ALA 21 82.542 -9.922 7.062 152 HA ALA 21 HA ALA 21 84.716 -9.346 5.318 153 1HB ALA 21 HB1 ALA 21 83.034 -7.834 7.199 154 2HB ALA 21 HB3 ALA 21 84.653 -7.170 6.997 155 3HB ALA 21 HB2 ALA 21 83.606 -7.383 5.595 156 H GLU 22 HN GLU 22 84.581 -9.972 8.784 157 HA GLU 22 HA GLU 22 87.199 -9.096 9.470 158 1HB GLU 22 2HB GLU 22 85.454 -9.763 11.122 159 2HB GLU 22 3HB GLU 22 85.665 -11.444 10.629 160 1HG GLU 22 2HG GLU 22 87.907 -11.499 11.418 161 2HG GLU 22 3HG GLU 22 87.965 -9.746 11.605 162 H ASN 23 HN ASN 23 86.045 -12.316 8.424 163 HA ASN 23 HA ASN 23 88.600 -13.578 8.379 164 1HB ASN 23 2HB ASN 23 86.369 -14.738 8.143 165 2HB ASN 23 3HB ASN 23 86.289 -14.117 6.495 166 1HD2 ASN 23 HD22 ASN 23 87.912 -17.130 5.560 167 2HD2 ASN 23 HD21 ASN 23 86.478 -16.227 5.493 168 H LEU 24 HN LEU 24 86.805 -11.694 5.983 169 HA LEU 24 HA LEU 24 88.718 -11.945 3.844 170 1HB LEU 24 2HB LEU 24 86.641 -9.818 4.444 171 2HB LEU 24 3HB LEU 24 87.554 -9.911 2.941 172 HG LEU 24 HG LEU 24 85.871 -12.191 4.003 173 1HD1 LEU 24 HD11 LEU 24 85.168 -9.806 2.357 174 2HD1 LEU 24 HD13 LEU 24 84.501 -11.358 1.849 175 3HD1 LEU 24 HD12 LEU 24 84.166 -10.740 3.468 176 1HD2 LEU 24 HD21 LEU 24 87.693 -11.763 1.740 177 2HD2 LEU 24 HD23 LEU 24 87.099 -13.273 2.431 178 3HD2 LEU 24 HD22 LEU 24 86.118 -12.396 1.257 179 H LEU 25 HN LEU 25 88.329 -9.675 6.540 180 HA LEU 25 HA LEU 25 90.607 -8.042 5.607 181 1HB LEU 25 2HB LEU 25 88.865 -7.933 8.091 182 2HB LEU 25 3HB LEU 25 90.184 -6.806 7.771 183 HG LEU 25 HG LEU 25 88.056 -7.254 5.693 184 1HD1 LEU 25 HD12 LEU 25 87.038 -6.685 7.984 185 2HD1 LEU 25 HD11 LEU 25 87.866 -5.133 7.840 186 3HD1 LEU 25 HD13 LEU 25 86.644 -5.595 6.655 187 1HD2 LEU 25 HD23 LEU 25 89.971 -5.029 6.449 188 2HD2 LEU 25 HD22 LEU 25 89.948 -5.972 4.957 189 3HD2 LEU 25 HD21 LEU 25 88.667 -4.804 5.281 190 H ARG 26 HN ARG 26 90.116 -10.881 7.341 191 HA ARG 26 HA ARG 26 92.599 -10.557 8.930 192 1HB ARG 26 2HB ARG 26 90.282 -12.467 9.035 193 2HB ARG 26 3HB ARG 26 91.814 -12.885 9.804 194 1HG ARG 26 2HG ARG 26 90.439 -10.247 10.328 195 2HG ARG 26 3HG ARG 26 90.050 -11.695 11.250 196 1HD ARG 26 2HD ARG 26 92.731 -10.320 11.059 197 2HD ARG 26 3HD ARG 26 91.741 -10.526 12.497 198 HE ARG 26 HE ARG 26 93.680 -12.385 11.496 199 1HH1 ARG 26 HH21 ARG 26 90.443 -12.305 12.698 200 2HH1 ARG 26 HH22 ARG 26 90.412 -13.992 13.080 201 1HH2 ARG 26 HH11 ARG 26 93.653 -14.574 11.996 202 2HH2 ARG 26 HH12 ARG 26 92.227 -15.276 12.684 203 H GLY 27 HN GLY 27 94.432 -11.671 8.432 204 1HA GLY 27 2HA GLY 27 95.788 -13.327 7.423 205 2HA GLY 27 3HA GLY 27 94.340 -14.030 6.704 206 H LYS 28 HN LYS 28 94.260 -10.762 6.065 207 HA LYS 28 HA LYS 28 95.410 -11.237 3.364 208 1HB LYS 28 2HB LYS 28 93.379 -9.220 4.349 209 2HB LYS 28 3HB LYS 28 94.043 -9.229 2.715 210 1HG LYS 28 2HG LYS 28 93.316 -11.783 2.802 211 2HG LYS 28 3HG LYS 28 92.185 -11.183 4.015 212 1HD LYS 28 2HD LYS 28 90.883 -10.742 2.186 213 2HD LYS 28 3HD LYS 28 91.880 -9.291 2.095 214 1HE LYS 28 2HE LYS 28 93.385 -10.342 0.518 215 2HE LYS 28 3HE LYS 28 92.563 -11.890 0.701 216 1HZ LYS 28 HZ2 LYS 28 90.538 -10.831 -0.164 217 2HZ LYS 28 HZ1 LYS 28 91.413 -9.399 -0.433 218 3HZ LYS 28 HZ3 LYS 28 91.811 -10.808 -1.289 219 H ARG 29 HN ARG 29 96.972 -9.882 2.569 220 HA ARG 29 HA ARG 29 98.685 -8.542 4.435 221 1HB ARG 29 2HB ARG 29 98.571 -8.376 1.409 222 2HB ARG 29 3HB ARG 29 99.893 -7.764 2.402 223 1HG ARG 29 2HG ARG 29 100.504 -9.938 3.127 224 2HG ARG 29 3HG ARG 29 98.978 -10.636 2.582 225 1HD ARG 29 2HD ARG 29 99.615 -10.112 0.231 226 2HD ARG 29 3HD ARG 29 101.168 -9.511 0.810 227 HE ARG 29 HE ARG 29 101.017 -12.083 1.844 228 1HH1 ARG 29 HH21 ARG 29 100.692 -10.607 -1.255 229 2HH1 ARG 29 HH22 ARG 29 101.310 -11.975 -2.118 230 1HH2 ARG 29 HH11 ARG 29 101.825 -13.875 0.735 231 2HH2 ARG 29 HH12 ARG 29 101.951 -13.827 -0.991 232 H ASP 30 HN ASP 30 99.147 -6.267 4.583 233 HA ASP 30 HA ASP 30 96.884 -4.550 4.743 234 1HB ASP 30 2HB ASP 30 99.825 -3.844 4.475 235 2HB ASP 30 3HB ASP 30 98.554 -2.717 4.955 236 H GLY 31 HN GLY 31 96.091 -2.964 3.338 237 1HA GLY 31 2HA GLY 31 96.305 -1.577 1.318 238 2HA GLY 31 3HA GLY 31 97.328 -2.835 0.619 239 H THR 32 HN THR 32 95.345 -4.870 1.821 240 HA THR 32 HA THR 32 93.576 -4.905 -0.533 241 HB THR 32 HB THR 32 93.747 -6.857 1.773 242 HG1 THR 32 HG1 THR 32 95.436 -7.613 0.800 243 1HG2 THR 32 HG23 THR 32 92.130 -6.649 -0.687 244 2HG2 THR 32 HG22 THR 32 92.869 -8.228 -0.419 245 3HG2 THR 32 HG21 THR 32 91.805 -7.532 0.802 246 H PHE 33 HN PHE 33 91.614 -3.906 -0.449 247 HA PHE 33 HA PHE 33 90.190 -3.961 2.166 248 1HB PHE 33 2HB PHE 33 89.944 -1.706 2.316 249 2HB PHE 33 3HB PHE 33 91.400 -1.671 1.324 250 HD1 PHE 33 HD1 PHE 33 90.989 -1.785 -1.288 251 HD2 PHE 33 HD2 PHE 33 88.033 -0.640 1.602 252 HE1 PHE 33 HE1 PHE 33 89.683 -0.625 -3.048 253 HE2 PHE 33 HE2 PHE 33 86.750 0.499 -0.182 254 HZ PHE 33 HZ PHE 33 87.562 0.491 -2.483 255 H LEU 34 HN LEU 34 87.859 -3.336 1.878 256 HA LEU 34 HA LEU 34 86.806 -3.928 -0.845 257 1HB LEU 34 2HB LEU 34 85.023 -5.269 0.814 258 2HB LEU 34 3HB LEU 34 86.247 -6.030 -0.193 259 HG LEU 34 HG LEU 34 87.869 -5.762 1.731 260 1HD1 LEU 34 HD13 LEU 34 85.316 -4.787 2.993 261 2HD1 LEU 34 HD12 LEU 34 86.567 -5.551 3.975 262 3HD1 LEU 34 HD11 LEU 34 86.927 -4.081 3.073 263 1HD2 LEU 34 HD21 LEU 34 86.544 -7.872 1.205 264 2HD2 LEU 34 HD23 LEU 34 87.076 -7.718 2.880 265 3HD2 LEU 34 HD22 LEU 34 85.402 -7.366 2.450 266 H VAL 35 HN VAL 35 84.537 -3.181 -1.088 267 HA VAL 35 HA VAL 35 83.902 -1.010 0.872 268 HB VAL 35 HB VAL 35 83.191 -1.356 -2.062 269 1HG1 VAL 35 HG13 VAL 35 81.793 0.104 0.066 270 2HG1 VAL 35 HG12 VAL 35 82.282 1.144 -1.272 271 3HG1 VAL 35 HG11 VAL 35 81.261 -0.262 -1.576 272 1HG2 VAL 35 HG22 VAL 35 84.655 0.795 -0.514 273 2HG2 VAL 35 HG21 VAL 35 85.401 -0.400 -1.580 274 3HG2 VAL 35 HG23 VAL 35 84.331 0.834 -2.242 275 H ARG 36 HN ARG 36 81.998 -1.149 2.016 276 HA ARG 36 HA ARG 36 79.843 -2.924 1.052 277 1HB ARG 36 2HB ARG 36 79.773 -4.198 3.176 278 2HB ARG 36 3HB ARG 36 81.291 -4.466 2.317 279 1HG ARG 36 2HG ARG 36 82.486 -2.997 3.770 280 2HG ARG 36 3HG ARG 36 80.996 -2.346 4.454 281 1HD ARG 36 2HD ARG 36 81.768 -5.258 4.700 282 2HD ARG 36 3HD ARG 36 82.215 -4.047 5.901 283 HE ARG 36 HE ARG 36 79.482 -3.711 5.635 284 1HH1 ARG 36 HH21 ARG 36 81.611 -6.357 6.184 285 2HH1 ARG 36 HH22 ARG 36 80.495 -7.226 7.184 286 1HH2 ARG 36 HH11 ARG 36 78.000 -4.828 6.939 287 2HH2 ARG 36 HH12 ARG 36 78.452 -6.358 7.617 288 H GLU 37 HN GLU 37 78.114 -2.928 3.050 289 HA GLU 37 HA GLU 37 77.823 -0.054 3.743 290 1HB GLU 37 2HB GLU 37 76.020 -1.006 2.363 291 2HB GLU 37 3HB GLU 37 75.780 -2.286 3.551 292 1HG GLU 37 2HG GLU 37 75.117 -0.659 5.236 293 2HG GLU 37 3HG GLU 37 75.458 0.672 4.126 294 H SER 38 HN SER 38 76.718 0.287 5.917 295 HA SER 38 HA SER 38 78.088 -1.342 7.931 296 1HB SER 38 2HB SER 38 75.944 0.797 8.239 297 2HB SER 38 3HB SER 38 76.892 0.105 9.553 298 HG SER 38 HG SER 38 77.676 1.818 7.462 299 H SER 39 HN SER 39 76.041 -2.260 5.921 300 HA SER 39 HA SER 39 74.372 -3.827 5.740 301 1HB SER 39 2HB SER 39 74.086 -5.411 7.597 302 2HB SER 39 3HB SER 39 75.800 -5.091 7.348 303 HG SER 39 HG SER 39 75.158 -4.977 9.561 304 H LYS 40 HN LYS 40 73.840 -2.903 9.139 305 HA LYS 40 HA LYS 40 71.079 -2.100 8.428 306 1HB LYS 40 2HB LYS 40 71.554 -3.590 10.417 307 2HB LYS 40 3HB LYS 40 72.373 -2.222 11.171 308 1HG LYS 40 2HG LYS 40 70.292 -0.891 10.984 309 2HG LYS 40 3HG LYS 40 69.475 -2.292 10.287 310 1HD LYS 40 2HD LYS 40 69.908 -3.586 12.331 311 2HD LYS 40 3HD LYS 40 70.765 -2.212 13.031 312 1HE LYS 40 2HE LYS 40 68.497 -2.230 13.902 313 2HE LYS 40 3HE LYS 40 68.664 -0.859 12.806 314 1HZ LYS 40 HZ3 LYS 40 67.897 -2.830 11.147 315 2HZ LYS 40 HZ2 LYS 40 67.044 -3.233 12.560 316 3HZ LYS 40 HZ1 LYS 40 66.844 -1.702 11.851 317 H GLN 41 HN GLN 41 70.497 0.013 8.305 318 HA GLN 41 HA GLN 41 70.640 2.319 9.252 319 1HB GLN 41 2HB GLN 41 72.763 1.874 10.484 320 2HB GLN 41 3HB GLN 41 73.629 1.902 8.942 321 1HG GLN 41 2HG GLN 41 72.931 4.198 8.547 322 2HG GLN 41 3HG GLN 41 71.958 4.187 10.019 323 1HE2 GLN 41 HE22 GLN 41 74.876 5.660 11.462 324 2HE2 GLN 41 HE21 GLN 41 73.324 5.985 10.855 325 H GLY 42 HN GLY 42 72.481 0.784 6.658 326 1HA GLY 42 2HA GLY 42 72.252 1.305 4.337 327 2HA GLY 42 3HA GLY 42 71.358 2.756 4.779 328 H CYS 43 HN CYS 43 74.052 2.653 6.717 329 HA CYS 43 HA CYS 43 75.325 4.821 5.229 330 1HB CYS 43 2HB CYS 43 75.230 4.772 7.721 331 2HB CYS 43 3HB CYS 43 76.283 3.357 7.708 332 HG CYS 43 HG CYS 43 77.173 6.194 6.734 333 H TYR 44 HN TYR 44 77.103 4.664 3.908 334 HA TYR 44 HA TYR 44 78.034 1.990 3.183 335 1HB TYR 44 2HB TYR 44 78.711 4.764 2.188 336 2HB TYR 44 3HB TYR 44 79.499 3.311 1.569 337 HD1 TYR 44 HD2 TYR 44 76.302 5.150 1.813 338 HD2 TYR 44 HD1 TYR 44 78.295 1.699 0.212 339 HE1 TYR 44 HE2 TYR 44 74.369 4.728 0.317 340 HE2 TYR 44 HE1 TYR 44 76.360 1.274 -1.282 341 HH TYR 44 HH TYR 44 73.661 2.002 -1.050 342 H ALA 45 HN ALA 45 80.460 1.549 3.060 343 HA ALA 45 HA ALA 45 82.222 3.070 4.777 344 1HB ALA 45 HB2 ALA 45 80.677 1.855 6.408 345 2HB ALA 45 HB1 ALA 45 81.421 0.359 5.843 346 3HB ALA 45 HB3 ALA 45 82.403 1.587 6.641 347 H CYS 46 HN CYS 46 84.345 2.521 4.371 348 HA CYS 46 HA CYS 46 84.782 0.151 2.599 349 1HB CYS 46 2HB CYS 46 86.551 2.601 2.947 350 2HB CYS 46 3HB CYS 46 86.808 1.288 1.795 351 HG CYS 46 HG CYS 46 84.531 2.033 0.621 352 H SER 47 HN SER 47 85.913 -1.500 3.527 353 HA SER 47 HA SER 47 87.337 -0.877 6.077 354 1HB SER 47 2HB SER 47 87.076 -3.458 6.358 355 2HB SER 47 3HB SER 47 85.670 -2.428 6.612 356 HG SER 47 HG SER 47 84.827 -3.104 4.765 357 H VAL 48 HN VAL 48 89.519 -1.163 6.143 358 HA VAL 48 HA VAL 48 90.747 -2.817 3.969 359 HB VAL 48 HB VAL 48 91.161 -0.429 3.516 360 1HG1 VAL 48 HG13 VAL 48 91.040 0.004 6.141 361 2HG1 VAL 48 HG12 VAL 48 92.789 -0.181 6.005 362 3HG1 VAL 48 HG11 VAL 48 91.960 1.072 5.082 363 1HG2 VAL 48 HG23 VAL 48 92.949 -2.247 3.194 364 2HG2 VAL 48 HG22 VAL 48 93.512 -0.576 3.224 365 3HG2 VAL 48 HG21 VAL 48 93.699 -1.597 4.651 366 H VAL 49 HN VAL 49 92.889 -3.641 4.550 367 HA VAL 49 HA VAL 49 93.046 -4.247 7.470 368 HB VAL 49 HB VAL 49 94.500 -5.588 5.175 369 1HG1 VAL 49 HG11 VAL 49 95.096 -5.586 7.858 370 2HG1 VAL 49 HG13 VAL 49 94.078 -7.018 7.710 371 3HG1 VAL 49 HG12 VAL 49 95.538 -6.869 6.732 372 1HG2 VAL 49 HG22 VAL 49 91.883 -6.184 6.537 373 2HG2 VAL 49 HG21 VAL 49 92.259 -6.195 4.814 374 3HG2 VAL 49 HG23 VAL 49 92.848 -7.492 5.853 375 H VAL 50 HN VAL 50 94.730 -3.296 8.623 376 HA VAL 50 HA VAL 50 96.923 -2.138 6.963 377 HB VAL 50 HB VAL 50 95.522 -0.982 9.384 378 1HG1 VAL 50 HG11 VAL 50 98.261 -0.510 8.311 379 2HG1 VAL 50 HG13 VAL 50 97.325 0.913 8.767 380 3HG1 VAL 50 HG12 VAL 50 97.655 -0.344 9.958 381 1HG2 VAL 50 HG22 VAL 50 95.106 -0.688 6.652 382 2HG2 VAL 50 HG21 VAL 50 94.564 0.434 7.899 383 3HG2 VAL 50 HG23 VAL 50 96.092 0.714 7.066 384 H ASP 51 HN ASP 51 98.986 -2.032 7.956 385 HA ASP 51 HA ASP 51 99.925 -4.342 9.173 386 1HB ASP 51 2HB ASP 51 101.310 -2.508 8.125 387 2HB ASP 51 3HB ASP 51 101.101 -1.594 9.621 388 H GLY 52 HN GLY 52 98.187 -1.816 10.582 389 1HA GLY 52 2HA GLY 52 99.062 -2.548 13.309 390 2HA GLY 52 3HA GLY 52 98.007 -1.195 12.900 391 H GLU 53 HN GLU 53 95.937 -2.194 11.565 392 HA GLU 53 HA GLU 53 95.005 -4.722 12.670 393 1HB GLU 53 2HB GLU 53 93.190 -3.777 14.055 394 2HB GLU 53 3HB GLU 53 94.777 -3.309 14.671 395 1HG GLU 53 2HG GLU 53 94.587 -1.153 13.441 396 2HG GLU 53 3HG GLU 53 92.963 -1.614 12.929 397 H VAL 54 HN VAL 54 92.608 -5.016 12.167 398 HA VAL 54 HA VAL 54 92.087 -4.219 9.435 399 HB VAL 54 HB VAL 54 89.935 -5.429 9.873 400 1HG1 VAL 54 HG12 VAL 54 92.238 -6.514 9.309 401 2HG1 VAL 54 HG11 VAL 54 92.210 -7.053 10.987 402 3HG1 VAL 54 HG13 VAL 54 90.939 -7.562 9.876 403 1HG2 VAL 54 HG21 VAL 54 90.866 -5.006 12.611 404 2HG2 VAL 54 HG23 VAL 54 89.247 -5.399 12.031 405 3HG2 VAL 54 HG22 VAL 54 90.424 -6.684 12.297 406 H LYS 55 HN LYS 55 90.744 -2.510 8.775 407 HA LYS 55 HA LYS 55 89.433 -0.983 10.997 408 1HB LYS 55 2HB LYS 55 90.922 0.052 8.584 409 2HB LYS 55 3HB LYS 55 89.901 1.069 9.601 410 1HG LYS 55 2HG LYS 55 91.512 1.237 11.160 411 2HG LYS 55 3HG LYS 55 91.682 -0.518 11.240 412 1HD LYS 55 2HD LYS 55 93.143 -0.496 9.286 413 2HD LYS 55 3HD LYS 55 92.940 1.247 9.132 414 1HE LYS 55 2HE LYS 55 93.772 1.279 11.629 415 2HE LYS 55 3HE LYS 55 94.440 -0.302 11.221 416 1HZ LYS 55 HZ3 LYS 55 94.937 1.746 9.252 417 2HZ LYS 55 HZ2 LYS 55 95.663 2.046 10.760 418 3HZ LYS 55 HZ1 LYS 55 95.995 0.605 9.925 419 H HIS 56 HN HIS 56 87.528 0.224 10.418 420 HA HIS 56 HA HIS 56 86.179 -0.731 7.920 421 1HB HIS 56 2HB HIS 56 84.892 -0.075 10.595 422 2HB HIS 56 3HB HIS 56 84.037 -0.574 9.140 423 HD1 HIS 56 HD1 HIS 56 86.118 -2.843 8.332 424 HD2 HIS 56 HD2 HIS 56 84.327 -2.400 12.070 425 HE1 HIS 56 HE1 HIS 56 86.168 -5.127 9.429 426 H CYS 57 HN CYS 57 87.158 1.347 6.994 427 HA CYS 57 HA CYS 57 86.529 3.903 8.092 428 1HB CYS 57 2HB CYS 57 86.907 3.137 5.174 429 2HB CYS 57 3HB CYS 57 86.892 4.785 5.793 430 HG CYS 57 HG CYS 57 89.061 4.215 7.179 431 H VAL 58 HN VAL 58 84.655 5.032 8.142 432 HA VAL 58 HA VAL 58 82.318 3.785 6.792 433 HB VAL 58 HB VAL 58 82.677 5.364 9.308 434 1HG1 VAL 58 HG13 VAL 58 80.153 5.157 7.644 435 2HG1 VAL 58 HG12 VAL 58 80.132 5.514 9.372 436 3HG1 VAL 58 HG11 VAL 58 80.924 6.622 8.252 437 1HG2 VAL 58 HG22 VAL 58 82.611 2.816 9.142 438 2HG2 VAL 58 HG21 VAL 58 81.454 3.536 10.262 439 3HG2 VAL 58 HG23 VAL 58 80.918 2.981 8.676 440 H ILE 59 HN ILE 59 81.401 4.821 5.131 441 HA ILE 59 HA ILE 59 81.898 7.742 4.835 442 HB ILE 59 HB ILE 59 81.285 7.040 2.321 443 1HG1 ILE 59 HG12 ILE 59 82.745 4.608 3.359 444 2HG1 ILE 59 HG11 ILE 59 81.008 4.635 3.061 445 1HG2 ILE 59 HG21 ILE 59 83.799 7.284 3.838 446 2HG2 ILE 59 HG23 ILE 59 83.959 6.407 2.316 447 3HG2 ILE 59 HG22 ILE 59 83.323 8.052 2.323 448 1HD1 ILE 59 HD11 ILE 59 83.148 5.249 1.000 449 2HD1 ILE 59 HD13 ILE 59 82.253 3.732 1.114 450 3HD1 ILE 59 HD12 ILE 59 81.408 5.226 0.707 451 H ASN 60 HN ASN 60 80.053 9.011 4.651 452 HA ASN 60 HA ASN 60 77.461 7.541 4.350 453 1HB ASN 60 2HB ASN 60 76.439 9.135 5.910 454 2HB ASN 60 3HB ASN 60 77.801 8.322 6.680 455 1HD2 ASN 60 HD22 ASN 60 79.384 11.372 7.392 456 2HD2 ASN 60 HD21 ASN 60 79.118 9.748 7.807 457 H LYS 61 HN LYS 61 76.085 8.336 2.812 458 HA LYS 61 HA LYS 61 76.978 10.766 1.361 459 1HB LYS 61 2HB LYS 61 75.729 9.975 -0.515 460 2HB LYS 61 3HB LYS 61 76.585 8.579 0.135 461 1HG LYS 61 2HG LYS 61 74.487 8.049 1.467 462 2HG LYS 61 3HG LYS 61 73.668 9.282 0.505 463 1HD LYS 61 2HD LYS 61 74.495 8.048 -1.562 464 2HD LYS 61 3HD LYS 61 74.965 6.735 -0.483 465 1HE LYS 61 2HE LYS 61 72.766 6.194 -1.268 466 2HE LYS 61 3HE LYS 61 72.572 6.760 0.391 467 1HZ LYS 61 HZ3 LYS 61 72.370 8.630 -1.882 468 2HZ LYS 61 HZ2 LYS 61 71.031 7.702 -1.395 469 3HZ LYS 61 HZ1 LYS 61 71.751 8.793 -0.311 470 H THR 62 HN THR 62 75.970 12.609 1.770 471 HA THR 62 HA THR 62 73.050 12.604 2.287 472 HB THR 62 HB THR 62 75.064 14.012 4.075 473 HG1 THR 62 HG1 THR 62 74.654 12.461 5.503 474 1HG2 THR 62 HG22 THR 62 72.899 15.209 3.698 475 2HG2 THR 62 HG21 THR 62 72.052 13.784 4.304 476 3HG2 THR 62 HG23 THR 62 73.127 14.692 5.369 477 H ALA 63 HN ALA 63 72.102 14.714 1.775 478 HA ALA 63 HA ALA 63 72.797 15.998 -0.491 479 1HB ALA 63 HB3 ALA 63 71.597 17.002 2.034 480 2HB ALA 63 HB2 ALA 63 72.177 18.233 0.912 481 3HB ALA 63 HB1 ALA 63 70.968 17.062 0.387 482 H THR 64 HN THR 64 74.341 16.705 2.658 483 HA THR 64 HA THR 64 76.543 18.041 1.146 484 HB THR 64 HB THR 64 76.790 18.940 3.714 485 HG1 THR 64 HG1 THR 64 74.032 19.000 3.166 486 1HG2 THR 64 HG22 THR 64 75.411 20.047 1.285 487 2HG2 THR 64 HG21 THR 64 75.456 20.983 2.779 488 3HG2 THR 64 HG23 THR 64 76.960 20.513 1.988 489 H GLY 65 HN GLY 65 76.124 15.115 2.108 490 1HA GLY 65 2HA GLY 65 78.676 14.989 3.673 491 2HA GLY 65 3HA GLY 65 77.310 13.950 4.064 492 H TYR 66 HN TYR 66 79.663 12.727 3.562 493 HA TYR 66 HA TYR 66 79.087 10.997 1.320 494 1HB TYR 66 2HB TYR 66 81.452 12.869 1.115 495 2HB TYR 66 3HB TYR 66 81.217 11.454 0.087 496 HD1 TYR 66 HD1 TYR 66 79.224 11.330 -1.434 497 HD2 TYR 66 HD2 TYR 66 80.222 14.890 0.756 498 HE1 TYR 66 HE1 TYR 66 77.734 12.657 -2.910 499 HE2 TYR 66 HE2 TYR 66 78.729 16.215 -0.716 500 HH TYR 66 HH TYR 66 76.693 15.745 -2.158 501 H GLY 67 HN GLY 67 81.238 12.114 3.809 502 1HA GLY 67 2HA GLY 67 81.737 9.959 5.310 503 2HA GLY 67 3HA GLY 67 82.692 9.534 3.883 504 H PHE 68 HN PHE 68 84.563 9.694 5.472 505 HA PHE 68 HA PHE 68 85.254 12.271 6.577 506 1HB PHE 68 2HB PHE 68 87.464 11.310 6.972 507 2HB PHE 68 3HB PHE 68 86.235 10.114 7.382 508 HD1 PHE 68 HD1 PHE 68 85.667 8.308 5.710 509 HD2 PHE 68 HD2 PHE 68 89.053 10.907 5.252 510 HE1 PHE 68 HE1 PHE 68 86.666 6.720 4.088 511 HE2 PHE 68 HE2 PHE 68 90.051 9.322 3.628 512 HZ PHE 68 HZ PHE 68 88.860 7.228 3.046 513 H ALA 69 HN ALA 69 84.950 11.293 3.468 514 HA ALA 69 HA ALA 69 87.164 12.176 2.005 515 1HB ALA 69 HB2 ALA 69 84.627 11.362 1.399 516 2HB ALA 69 HB1 ALA 69 84.553 13.066 0.960 517 3HB ALA 69 HB3 ALA 69 85.761 12.017 0.219 518 H GLU 70 HN GLU 70 87.931 14.176 1.364 519 HA GLU 70 HA GLU 70 86.739 16.569 2.709 520 1HB GLU 70 2HB GLU 70 89.140 15.943 3.241 521 2HB GLU 70 3HB GLU 70 89.529 16.224 1.545 522 1HG GLU 70 2HG GLU 70 88.735 18.561 1.762 523 2HG GLU 70 3HG GLU 70 88.399 18.276 3.471 524 HA PRO 71 HA PRO 71 85.155 18.057 -1.172 525 1HB PRO 71 2HB PRO 71 86.629 20.571 -0.534 526 2HB PRO 71 3HB PRO 71 84.928 20.342 -0.982 527 1HG PRO 71 2HG PRO 71 85.816 20.793 1.567 528 2HG PRO 71 3HG PRO 71 84.286 20.009 1.153 529 1HD PRO 71 2HD PRO 71 86.627 18.831 2.402 530 2HD PRO 71 3HD PRO 71 85.039 18.096 2.125 531 H TYR 72 HN TYR 72 88.545 18.770 -0.342 532 HA TYR 72 HA TYR 72 89.425 19.255 -3.024 533 1HB TYR 72 2HB TYR 72 90.893 18.280 -0.560 534 2HB TYR 72 3HB TYR 72 91.703 18.638 -2.084 535 HD1 TYR 72 HD2 TYR 72 91.549 20.962 -3.057 536 HD2 TYR 72 HD1 TYR 72 90.196 20.022 0.910 537 HE1 TYR 72 HE2 TYR 72 91.589 23.370 -2.474 538 HE2 TYR 72 HE1 TYR 72 90.241 22.433 1.496 539 HH TYR 72 HH TYR 72 90.337 24.857 -0.721 540 H ASN 73 HN ASN 73 89.048 16.295 -1.113 541 HA ASN 73 HA ASN 73 90.329 14.612 -3.115 542 1HB ASN 73 2HB ASN 73 88.459 13.872 -0.841 543 2HB ASN 73 3HB ASN 73 89.437 12.741 -1.775 544 1HD2 ASN 73 HD22 ASN 73 91.124 14.279 1.421 545 2HD2 ASN 73 HD21 ASN 73 89.463 14.023 1.183 546 H LEU 74 HN LEU 74 87.034 14.056 -1.940 547 HA LEU 74 HA LEU 74 85.813 12.809 -3.955 548 1HB LEU 74 2HB LEU 74 84.680 15.345 -2.745 549 2HB LEU 74 3HB LEU 74 83.744 14.092 -3.563 550 HG LEU 74 HG LEU 74 85.351 13.779 -1.013 551 1HD1 LEU 74 HD11 LEU 74 82.527 14.278 -1.677 552 2HD1 LEU 74 HD13 LEU 74 82.771 12.921 -0.581 553 3HD1 LEU 74 HD12 LEU 74 83.379 14.520 -0.152 554 1HD2 LEU 74 HD21 LEU 74 84.149 11.807 -2.922 555 2HD2 LEU 74 HD23 LEU 74 85.620 11.674 -1.957 556 3HD2 LEU 74 HD22 LEU 74 84.043 11.461 -1.196 557 H TYR 75 HN TYR 75 87.087 13.281 -5.871 558 HA TYR 75 HA TYR 75 87.114 15.842 -7.129 559 1HB TYR 75 2HB TYR 75 88.642 13.946 -7.732 560 2HB TYR 75 3HB TYR 75 87.269 13.156 -8.511 561 HD1 TYR 75 HD2 TYR 75 89.610 15.994 -8.653 562 HD2 TYR 75 HD1 TYR 75 86.304 14.047 -10.587 563 HE1 TYR 75 HE2 TYR 75 90.003 17.353 -10.689 564 HE2 TYR 75 HE1 TYR 75 86.698 15.409 -12.627 565 HH TYR 75 HH TYR 75 87.891 17.053 -13.546 566 H SER 76 HN SER 76 84.930 13.099 -7.462 567 HA SER 76 HA SER 76 82.796 14.894 -8.325 568 1HB SER 76 2HB SER 76 82.470 13.981 -10.535 569 2HB SER 76 3HB SER 76 84.141 14.528 -10.412 570 HG SER 76 HG SER 76 83.313 11.871 -9.864 571 H SER 77 HN SER 77 83.754 11.416 -8.346 572 HA SER 77 HA SER 77 81.188 10.868 -6.946 573 1HB SER 77 2HB SER 77 80.678 9.014 -8.476 574 2HB SER 77 3HB SER 77 80.765 10.538 -9.356 575 HG SER 77 HG SER 77 82.131 8.346 -9.804 576 H LEU 78 HN LEU 78 81.104 8.456 -6.341 577 HA LEU 78 HA LEU 78 83.282 7.845 -4.627 578 1HB LEU 78 2HB LEU 78 81.073 6.113 -5.759 579 2HB LEU 78 3HB LEU 78 82.209 5.550 -4.536 580 HG LEU 78 HG LEU 78 81.047 8.137 -3.838 581 1HD1 LEU 78 HD12 LEU 78 79.154 7.085 -5.155 582 2HD1 LEU 78 HD11 LEU 78 79.159 5.768 -3.982 583 3HD1 LEU 78 HD13 LEU 78 78.775 7.411 -3.464 584 1HD2 LEU 78 HD21 LEU 78 82.285 6.577 -2.325 585 2HD2 LEU 78 HD23 LEU 78 80.680 6.978 -1.714 586 3HD2 LEU 78 HD22 LEU 78 80.965 5.418 -2.487 587 H LYS 79 HN LYS 79 82.561 6.803 -7.943 588 HA LYS 79 HA LYS 79 84.373 4.679 -8.207 589 1HB LYS 79 2HB LYS 79 82.801 5.459 -9.988 590 2HB LYS 79 3HB LYS 79 83.862 6.839 -10.270 591 1HG LYS 79 2HG LYS 79 85.717 5.324 -10.812 592 2HG LYS 79 3HG LYS 79 84.675 3.932 -10.515 593 1HD LYS 79 2HD LYS 79 83.100 5.063 -12.276 594 2HD LYS 79 3HD LYS 79 84.560 5.931 -12.758 595 1HE LYS 79 2HE LYS 79 85.732 3.809 -13.114 596 2HE LYS 79 3HE LYS 79 84.311 2.917 -12.568 597 1HZ LYS 79 HZ3 LYS 79 84.110 4.841 -14.793 598 2HZ LYS 79 HZ2 LYS 79 84.658 3.257 -15.072 599 3HZ LYS 79 HZ1 LYS 79 83.108 3.522 -14.429 600 H GLU 80 HN GLU 80 85.047 8.159 -8.706 601 HA GLU 80 HA GLU 80 87.889 7.678 -9.116 602 1HB GLU 80 2HB GLU 80 86.369 10.225 -8.461 603 2HB GLU 80 3HB GLU 80 88.059 10.154 -8.961 604 1HG GLU 80 2HG GLU 80 87.441 9.182 -11.100 605 2HG GLU 80 3HG GLU 80 85.753 9.070 -10.599 606 H LEU 81 HN LEU 81 85.808 8.026 -6.396 607 HA LEU 81 HA LEU 81 87.718 8.995 -4.478 608 1HB LEU 81 2HB LEU 81 85.258 9.002 -4.130 609 2HB LEU 81 3HB LEU 81 85.284 7.243 -4.033 610 HG LEU 81 HG LEU 81 87.008 8.943 -2.238 611 1HD1 LEU 81 HD12 LEU 81 84.159 8.862 -2.241 612 2HD1 LEU 81 HD11 LEU 81 84.716 7.937 -0.848 613 3HD1 LEU 81 HD13 LEU 81 85.222 9.614 -1.053 614 1HD2 LEU 81 HD21 LEU 81 86.247 6.081 -2.485 615 2HD2 LEU 81 HD23 LEU 81 87.736 6.800 -1.872 616 3HD2 LEU 81 HD22 LEU 81 86.306 6.718 -0.844 617 H VAL 82 HN VAL 82 86.703 5.702 -5.428 618 HA VAL 82 HA VAL 82 88.386 4.361 -3.533 619 HB VAL 82 HB VAL 82 86.456 3.395 -4.996 620 1HG1 VAL 82 HG13 VAL 82 87.759 4.125 -7.120 621 2HG1 VAL 82 HG12 VAL 82 88.729 2.684 -6.841 622 3HG1 VAL 82 HG11 VAL 82 86.994 2.541 -7.120 623 1HG2 VAL 82 HG22 VAL 82 88.315 2.220 -3.479 624 2HG2 VAL 82 HG21 VAL 82 87.188 1.278 -4.456 625 3HG2 VAL 82 HG23 VAL 82 88.825 1.576 -5.038 626 H LEU 83 HN LEU 83 88.871 5.322 -6.925 627 HA LEU 83 HA LEU 83 91.526 4.231 -7.155 628 1HB LEU 83 2HB LEU 83 90.186 4.800 -9.131 629 2HB LEU 83 3HB LEU 83 90.172 6.498 -8.652 630 HG LEU 83 HG LEU 83 92.635 6.564 -8.839 631 1HD1 LEU 83 HD12 LEU 83 92.187 3.656 -9.331 632 2HD1 LEU 83 HD11 LEU 83 93.462 4.441 -10.264 633 3HD1 LEU 83 HD13 LEU 83 93.519 4.462 -8.501 634 1HD2 LEU 83 HD23 LEU 83 90.857 5.836 -11.120 635 2HD2 LEU 83 HD22 LEU 83 91.764 7.320 -10.834 636 3HD2 LEU 83 HD21 LEU 83 92.592 5.882 -11.434 637 H HIS 84 HN HIS 84 90.287 7.468 -6.363 638 HA HIS 84 HA HIS 84 92.815 8.755 -6.148 639 1HB HIS 84 2HB HIS 84 90.654 9.966 -6.234 640 2HB HIS 84 3HB HIS 84 90.270 9.368 -4.618 641 HD1 HIS 84 HD1 HIS 84 92.964 11.412 -6.373 642 HD2 HIS 84 HD2 HIS 84 91.321 10.910 -2.576 643 HE1 HIS 84 HE1 HIS 84 94.059 13.144 -4.884 644 H TYR 85 HN TYR 85 90.900 6.963 -3.729 645 HA TYR 85 HA TYR 85 92.601 7.592 -1.512 646 1HB TYR 85 2HB TYR 85 90.771 5.238 -2.040 647 2HB TYR 85 3HB TYR 85 91.649 5.434 -0.528 648 HD1 TYR 85 HD2 TYR 85 90.703 8.564 -2.087 649 HD2 TYR 85 HD1 TYR 85 89.302 5.422 0.488 650 HE1 TYR 85 HE2 TYR 85 88.913 10.046 -1.249 651 HE2 TYR 85 HE1 TYR 85 87.510 6.915 1.327 652 HH TYR 85 HH TYR 85 87.406 9.841 1.345 653 H GLN 86 HN GLN 86 92.881 5.315 -4.127 654 HA GLN 86 HA GLN 86 94.862 3.590 -2.975 655 1HB GLN 86 2HB GLN 86 93.742 2.914 -5.010 656 2HB GLN 86 3HB GLN 86 94.315 4.354 -5.856 657 1HG GLN 86 2HG GLN 86 96.623 3.620 -5.656 658 2HG GLN 86 3HG GLN 86 96.140 2.246 -4.670 659 1HE2 GLN 86 HE22 GLN 86 95.152 2.149 -8.673 660 2HE2 GLN 86 HE21 GLN 86 95.195 3.644 -7.872 661 H HIS 87 HN HIS 87 95.076 6.695 -4.652 662 HA HIS 87 HA HIS 87 98.030 6.587 -4.578 663 1HB HIS 87 2HB HIS 87 96.843 7.504 -6.563 664 2HB HIS 87 3HB HIS 87 96.180 8.785 -5.550 665 HD1 HIS 87 HD1 HIS 87 99.580 7.418 -6.608 666 HD2 HIS 87 HD2 HIS 87 97.849 10.977 -5.300 667 HE1 HIS 87 HE1 HIS 87 101.383 9.190 -6.760 668 H THR 88 HN THR 88 95.418 7.789 -2.679 669 HA THR 88 HA THR 88 97.239 9.666 -1.246 670 HB THR 88 HB THR 88 94.243 9.258 -0.983 671 HG1 THR 88 HG1 THR 88 95.193 11.631 -1.937 672 1HG2 THR 88 HG22 THR 88 96.181 11.227 0.240 673 2HG2 THR 88 HG21 THR 88 94.443 11.519 0.176 674 3HG2 THR 88 HG23 THR 88 95.073 10.136 1.073 675 H SER 89 HN SER 89 98.192 8.940 0.579 676 HA SER 89 HA SER 89 97.530 6.351 1.702 677 1HB SER 89 2HB SER 89 99.822 7.403 1.723 678 2HB SER 89 3HB SER 89 99.228 8.541 2.928 679 HG SER 89 HG SER 89 99.188 5.706 3.152 680 H LEU 90 HN LEU 90 96.162 5.909 3.401 681 HA LEU 90 HA LEU 90 94.241 7.834 4.227 682 1HB LEU 90 2HB LEU 90 95.072 5.183 5.392 683 2HB LEU 90 3HB LEU 90 93.764 6.146 6.080 684 HG LEU 90 HG LEU 90 93.909 5.255 3.190 685 1HD1 LEU 90 HD13 LEU 90 93.299 3.728 5.475 686 2HD1 LEU 90 HD12 LEU 90 91.738 4.161 4.780 687 3HD1 LEU 90 HD11 LEU 90 92.935 3.312 3.802 688 1HD2 LEU 90 HD22 LEU 90 92.103 6.981 4.807 689 2HD2 LEU 90 HD21 LEU 90 92.477 7.049 3.085 690 3HD2 LEU 90 HD23 LEU 90 91.320 5.863 3.690 691 H VAL 91 HN VAL 91 97.190 6.690 5.924 692 HA VAL 91 HA VAL 91 97.866 7.425 8.171 693 HB VAL 91 HB VAL 91 98.248 9.631 6.114 694 1HG1 VAL 91 HG13 VAL 91 98.464 10.346 8.584 695 2HG1 VAL 91 HG12 VAL 91 99.871 9.280 8.629 696 3HG1 VAL 91 HG11 VAL 91 99.840 10.656 7.531 697 1HG2 VAL 91 HG22 VAL 91 99.865 7.268 7.061 698 2HG2 VAL 91 HG21 VAL 91 99.346 7.652 5.422 699 3HG2 VAL 91 HG23 VAL 91 100.603 8.615 6.193 700 H GLN 92 HN GLN 92 96.601 10.495 6.857 701 HA GLN 92 HA GLN 92 94.912 11.917 7.651 702 1HB GLN 92 2HB GLN 92 93.774 9.549 7.959 703 2HB GLN 92 3HB GLN 92 94.028 9.889 9.671 704 1HG GLN 92 2HG GLN 92 93.029 12.288 8.701 705 2HG GLN 92 3HG GLN 92 92.112 11.081 7.799 706 1HE2 GLN 92 HE22 GLN 92 90.351 9.893 10.658 707 2HE2 GLN 92 HE21 GLN 92 90.754 9.577 9.039 708 H HIS 93 HN HIS 93 94.028 12.664 10.027 709 HA HIS 93 HA HIS 93 96.267 13.823 11.343 710 1HB HIS 93 2HB HIS 93 93.916 14.685 11.485 711 2HB HIS 93 3HB HIS 93 93.520 13.321 12.532 712 HD1 HIS 93 HD1 HIS 93 96.003 16.217 12.418 713 HD2 HIS 93 HD2 HIS 93 94.061 13.802 15.207 714 HE1 HIS 93 HE1 HIS 93 96.635 17.109 14.702 715 H ASN 94 HN ASN 94 94.395 10.901 12.050 716 HA ASN 94 HA ASN 94 95.515 10.249 14.561 717 1HB ASN 94 2HB ASN 94 93.647 9.013 13.390 718 2HB ASN 94 3HB ASN 94 94.867 8.286 12.342 719 1HD2 ASN 94 HD22 ASN 94 94.188 6.196 15.486 720 2HD2 ASN 94 HD21 ASN 94 93.106 6.979 14.439 721 H ASP 95 HN ASP 95 96.805 10.080 11.333 722 HA ASP 95 HA ASP 95 98.941 9.603 10.547 723 1HB ASP 95 2HB ASP 95 99.588 10.089 13.462 724 2HB ASP 95 3HB ASP 95 100.816 9.821 12.226 725 H SER 96 HN SER 96 97.205 7.387 11.246 726 HA SER 96 HA SER 96 99.349 5.405 11.727 727 1HB SER 96 2HB SER 96 97.874 4.095 13.225 728 2HB SER 96 3HB SER 96 98.211 5.694 13.882 729 HG SER 96 HG SER 96 95.856 4.619 12.866 730 H LEU 97 HN LEU 97 96.977 6.404 9.680 731 HA LEU 97 HA LEU 97 96.278 3.624 8.848 732 1HB LEU 97 2HB LEU 97 95.194 6.261 7.790 733 2HB LEU 97 3HB LEU 97 94.574 4.646 7.436 734 HG LEU 97 HG LEU 97 94.707 5.829 10.215 735 1HD1 LEU 97 HD13 LEU 97 92.899 6.415 8.098 736 2HD1 LEU 97 HD12 LEU 97 92.038 5.390 9.249 737 3HD1 LEU 97 HD11 LEU 97 92.776 6.898 9.790 738 1HD2 LEU 97 HD23 LEU 97 93.679 3.276 9.002 739 2HD2 LEU 97 HD22 LEU 97 94.694 3.490 10.428 740 3HD2 LEU 97 HD21 LEU 97 92.978 3.895 10.496 741 H ASN 98 HN ASN 98 98.811 3.802 8.344 742 HA ASN 98 HA ASN 98 99.392 5.243 5.873 743 1HB ASN 98 2HB ASN 98 101.060 4.834 7.721 744 2HB ASN 98 3HB ASN 98 101.095 3.140 7.221 745 1HD2 ASN 98 HD22 ASN 98 103.668 5.335 5.365 746 2HD2 ASN 98 HD21 ASN 98 103.233 5.328 7.006 747 H VAL 99 HN VAL 99 97.500 4.054 4.825 748 HA VAL 99 HA VAL 99 98.619 1.884 3.187 749 HB VAL 99 HB VAL 99 96.075 1.492 4.794 750 1HG1 VAL 99 HG11 VAL 99 97.308 0.063 2.463 751 2HG1 VAL 99 HG13 VAL 99 96.402 -0.863 3.660 752 3HG1 VAL 99 HG12 VAL 99 95.613 0.439 2.769 753 1HG2 VAL 99 HG21 VAL 99 98.761 0.088 4.839 754 2HG2 VAL 99 HG23 VAL 99 98.069 1.071 6.131 755 3HG2 VAL 99 HG22 VAL 99 97.326 -0.465 5.695 756 H THR 100 HN THR 100 97.501 1.708 1.192 757 HA THR 100 HA THR 100 95.481 3.867 0.735 758 HB THR 100 HB THR 100 96.408 4.202 -1.456 759 HG1 THR 100 HG1 THR 100 96.860 1.818 -1.593 760 1HG2 THR 100 HG23 THR 100 98.086 4.314 0.909 761 2HG2 THR 100 HG22 THR 100 99.059 4.070 -0.540 762 3HG2 THR 100 HG21 THR 100 97.976 5.456 -0.430 763 H LEU 101 HN LEU 101 93.757 3.312 -0.758 764 HA LEU 101 HA LEU 101 93.034 0.477 -0.659 765 1HB LEU 101 2HB LEU 101 91.710 2.758 -2.176 766 2HB LEU 101 3HB LEU 101 90.991 1.186 -1.824 767 HG LEU 101 HG LEU 101 91.773 3.334 0.160 768 1HD1 LEU 101 HD11 LEU 101 89.137 1.981 -0.490 769 2HD1 LEU 101 HD13 LEU 101 89.380 3.187 0.774 770 3HD1 LEU 101 HD12 LEU 101 89.586 3.632 -0.920 771 1HD2 LEU 101 HD22 LEU 101 91.220 0.413 0.514 772 2HD2 LEU 101 HD21 LEU 101 92.393 1.427 1.341 773 3HD2 LEU 101 HD23 LEU 101 90.683 1.536 1.757 774 H ALA 102 HN ALA 102 95.179 -0.001 -1.842 775 HA ALA 102 HA ALA 102 94.978 0.457 -4.758 776 1HB ALA 102 HB1 ALA 102 97.101 0.736 -3.110 777 2HB ALA 102 HB3 ALA 102 97.351 -0.924 -3.648 778 3HB ALA 102 HB2 ALA 102 97.259 0.379 -4.830 779 H TYR 103 HN TYR 103 94.716 -2.239 -2.489 780 HA TYR 103 HA TYR 103 94.740 -4.041 -4.884 781 1HB TYR 103 2HB TYR 103 96.465 -4.543 -3.176 782 2HB TYR 103 3HB TYR 103 95.191 -4.779 -1.983 783 HD1 TYR 103 HD2 TYR 103 96.551 -6.032 -5.209 784 HD2 TYR 103 HD1 TYR 103 93.942 -6.810 -1.891 785 HE1 TYR 103 HE2 TYR 103 96.264 -8.370 -5.985 786 HE2 TYR 103 HE1 TYR 103 93.650 -9.149 -2.663 787 HH TYR 103 HH TYR 103 94.919 -10.795 -4.051 788 HA PRO 104 HA PRO 104 90.281 -4.104 -3.901 789 1HB PRO 104 2HB PRO 104 90.207 -5.874 -6.257 790 2HB PRO 104 3HB PRO 104 89.355 -4.358 -5.959 791 1HG PRO 104 2HG PRO 104 91.394 -4.603 -7.713 792 2HG PRO 104 3HG PRO 104 90.986 -3.094 -6.884 793 1HD PRO 104 2HD PRO 104 93.256 -4.949 -6.404 794 2HD PRO 104 3HD PRO 104 93.132 -3.203 -6.094 795 H VAL 105 HN VAL 105 89.062 -5.742 -2.880 796 HA VAL 105 HA VAL 105 90.483 -8.055 -1.918 797 HB VAL 105 HB VAL 105 88.662 -6.994 -0.650 798 1HG1 VAL 105 HG12 VAL 105 87.129 -7.747 -3.116 799 2HG1 VAL 105 HG11 VAL 105 86.285 -7.729 -1.570 800 3HG1 VAL 105 HG13 VAL 105 87.059 -6.262 -2.177 801 1HG2 VAL 105 HG23 VAL 105 89.051 -9.755 -1.069 802 2HG2 VAL 105 HG22 VAL 105 88.277 -8.991 0.320 803 3HG2 VAL 105 HG21 VAL 105 87.303 -9.524 -1.051 804 H TYR 106 HN TYR 106 88.566 -7.431 -4.730 805 HA TYR 106 HA TYR 106 88.728 -10.320 -5.463 806 1HB TYR 106 2HB TYR 106 86.549 -8.316 -6.090 807 2HB TYR 106 3HB TYR 106 86.675 -9.891 -6.869 808 HD1 TYR 106 HD1 TYR 106 86.931 -11.940 -5.178 809 HD2 TYR 106 HD2 TYR 106 85.249 -8.117 -4.173 810 HE1 TYR 106 HE1 TYR 106 85.731 -12.969 -3.270 811 HE2 TYR 106 HE2 TYR 106 84.049 -9.149 -2.264 812 HH TYR 106 HH TYR 106 83.438 -12.252 -1.949 813 H ALA 107 HN ALA 107 90.892 -9.177 -6.136 814 HA ALA 107 HA ALA 107 90.950 -7.440 -8.405 815 1HB ALA 107 HB1 ALA 107 92.856 -7.966 -6.805 816 2HB ALA 107 HB3 ALA 107 93.068 -9.476 -7.693 817 3HB ALA 107 HB2 ALA 107 93.288 -7.930 -8.516 818 H GLN 108 HN GLN 108 92.911 -9.216 -9.890 819 HA GLN 108 HA GLN 108 90.939 -10.347 -11.743 820 1HB GLN 108 2HB GLN 108 93.971 -10.361 -11.842 821 2HB GLN 108 3HB GLN 108 92.899 -10.825 -13.162 822 1HG GLN 108 2HG GLN 108 91.900 -8.516 -13.068 823 2HG GLN 108 3HG GLN 108 93.142 -8.084 -11.894 824 1HE2 GLN 108 HE22 GLN 108 95.325 -7.241 -14.529 825 2HE2 GLN 108 HE21 GLN 108 94.644 -6.815 -13.034 826 H GLN 109 HN GLN 109 92.629 -12.525 -12.670 827 HA GLN 109 HA GLN 109 92.936 -14.812 -12.303 828 1HB GLN 109 2HB GLN 109 93.193 -13.901 -9.418 829 2HB GLN 109 3HB GLN 109 93.574 -15.519 -10.001 830 1HG GLN 109 2HG GLN 109 95.286 -14.634 -11.490 831 2HG GLN 109 3HG GLN 109 94.860 -12.981 -11.045 832 1HE2 GLN 109 HE22 GLN 109 95.985 -14.085 -7.522 833 2HE2 GLN 109 HE21 GLN 109 94.416 -13.978 -8.159 834 H ARG 110 HN ARG 110 90.301 -13.802 -12.508 835 HA ARG 110 HA ARG 110 88.854 -15.850 -10.895 836 1HB ARG 110 2HB ARG 110 87.902 -13.016 -11.418 837 2HB ARG 110 3HB ARG 110 86.962 -14.275 -10.616 838 1HG ARG 110 2HG ARG 110 89.137 -14.415 -9.080 839 2HG ARG 110 3HG ARG 110 89.330 -12.747 -9.619 840 1HD ARG 110 2HD ARG 110 87.114 -13.959 -7.990 841 2HD ARG 110 3HD ARG 110 88.015 -12.471 -7.707 842 HE ARG 110 HE ARG 110 86.647 -12.015 -10.088 843 1HH1 ARG 110 HH21 ARG 110 85.882 -12.965 -6.861 844 2HH1 ARG 110 HH22 ARG 110 84.293 -12.276 -6.894 845 1HH2 ARG 110 HH11 ARG 110 84.572 -11.113 -10.146 846 2HH2 ARG 110 HH12 ARG 110 83.554 -11.227 -8.749 847 H ARG 111 HN ARG 111 86.924 -16.662 -11.975 848 HA ARG 111 HA ARG 111 85.771 -17.422 -13.872 849 1HB ARG 111 2HB ARG 111 85.192 -14.941 -13.948 850 2HB ARG 111 3HB ARG 111 86.505 -14.755 -15.112 851 1HG ARG 111 2HG ARG 111 85.432 -16.471 -16.557 852 2HG ARG 111 3HG ARG 111 84.095 -16.565 -15.419 853 1HD ARG 111 2HD ARG 111 84.960 -14.043 -16.851 854 2HD ARG 111 3HD ARG 111 83.614 -15.053 -17.363 855 HE ARG 111 HE ARG 111 83.537 -13.017 -15.353 856 1HH1 ARG 111 HH21 ARG 111 82.536 -16.291 -15.827 857 2HH1 ARG 111 HH22 ARG 111 81.347 -16.233 -14.570 858 1HH2 ARG 111 HH11 ARG 111 81.983 -12.934 -13.743 859 2HH2 ARG 111 HH12 ARG 111 81.031 -14.339 -13.399 No H/Q in entry = 859 Start of MODEL 22 1 1H GLU 1 HT3 GLU 1 94.535 -2.569 -21.202 2 2H GLU 1 HT2 GLU 1 95.732 -1.414 -21.548 3 3H GLU 1 HT1 GLU 1 96.165 -3.029 -21.246 4 HA GLU 1 HA GLU 1 96.222 -2.730 -19.061 5 1HB GLU 1 2HB GLU 1 97.271 -0.624 -19.882 6 2HB GLU 1 3HB GLU 1 95.698 0.170 -19.783 7 1HG GLU 1 2HG GLU 1 95.602 -0.342 -17.368 8 2HG GLU 1 3HG GLU 1 97.188 -1.108 -17.468 9 H ASP 2 HN ASP 2 94.274 -3.860 -18.540 10 HA ASP 2 HA ASP 2 91.771 -2.306 -18.245 11 1HB ASP 2 2HB ASP 2 91.834 -4.672 -19.140 12 2HB ASP 2 3HB ASP 2 92.332 -5.198 -17.533 13 H LEU 3 HN LEU 3 91.324 -1.297 -16.316 14 HA LEU 3 HA LEU 3 92.933 -2.044 -13.934 15 1HB LEU 3 2HB LEU 3 91.019 0.267 -14.385 16 2HB LEU 3 3HB LEU 3 92.013 0.035 -12.947 17 HG LEU 3 HG LEU 3 93.270 0.148 -15.686 18 1HD1 LEU 3 HD13 LEU 3 91.776 2.178 -15.168 19 2HD1 LEU 3 HD12 LEU 3 92.916 2.533 -13.870 20 3HD1 LEU 3 HD11 LEU 3 93.466 2.515 -15.547 21 1HD2 LEU 3 HD22 LEU 3 94.392 -0.536 -13.373 22 2HD2 LEU 3 HD21 LEU 3 95.257 0.493 -14.516 23 3HD2 LEU 3 HD23 LEU 3 94.432 1.210 -13.133 24 HA PRO 4 HA PRO 4 89.477 -4.317 -12.297 25 1HB PRO 4 2HB PRO 4 90.212 -4.327 -9.655 26 2HB PRO 4 3HB PRO 4 90.936 -5.386 -10.881 27 1HG PRO 4 2HG PRO 4 91.983 -2.871 -9.695 28 2HG PRO 4 3HG PRO 4 92.844 -4.345 -10.168 29 1HD PRO 4 2HD PRO 4 92.840 -2.061 -11.688 30 2HD PRO 4 3HD PRO 4 93.032 -3.689 -12.376 31 H HIS 5 HN HIS 5 90.086 -1.080 -11.719 32 HA HIS 5 HA HIS 5 88.033 -0.678 -9.664 33 1HB HIS 5 2HB HIS 5 89.569 1.319 -11.358 34 2HB HIS 5 3HB HIS 5 88.579 1.708 -9.946 35 HD1 HIS 5 HD1 HIS 5 89.362 0.458 -7.645 36 HD2 HIS 5 HD2 HIS 5 92.184 0.628 -10.708 37 HE1 HIS 5 HE1 HIS 5 91.612 0.010 -6.572 38 H HIS 6 HN HIS 6 88.136 -0.943 -13.090 39 HA HIS 6 HA HIS 6 85.962 0.781 -13.806 40 1HB HIS 6 2HB HIS 6 86.953 -1.808 -15.040 41 2HB HIS 6 3HB HIS 6 85.673 -0.827 -15.749 42 HD1 HIS 6 HD1 HIS 6 86.436 1.814 -16.145 43 HD2 HIS 6 HD2 HIS 6 89.468 -1.031 -15.858 44 HE1 HIS 6 HE1 HIS 6 88.519 2.885 -17.116 45 H ASP 7 HN ASP 7 86.108 -2.508 -12.552 46 HA ASP 7 HA ASP 7 83.145 -2.599 -12.466 47 1HB ASP 7 2HB ASP 7 83.419 -5.030 -12.134 48 2HB ASP 7 3HB ASP 7 84.237 -4.498 -13.604 49 H GLU 8 HN GLU 8 82.156 -2.441 -10.529 50 HA GLU 8 HA GLU 8 83.656 -1.846 -8.141 51 1HB GLU 8 2HB GLU 8 81.060 -1.441 -9.009 52 2HB GLU 8 3HB GLU 8 80.858 -2.675 -7.767 53 1HG GLU 8 2HG GLU 8 82.554 -1.061 -6.463 54 2HG GLU 8 3HG GLU 8 81.791 0.137 -7.508 55 H LYS 9 HN LYS 9 82.868 -4.755 -9.636 56 HA LYS 9 HA LYS 9 82.293 -6.503 -7.470 57 1HB LYS 9 2HB LYS 9 82.017 -7.170 -9.798 58 2HB LYS 9 3HB LYS 9 83.743 -7.007 -10.072 59 1HG LYS 9 2HG LYS 9 83.597 -8.726 -7.879 60 2HG LYS 9 3HG LYS 9 82.258 -9.235 -8.905 61 1HD LYS 9 2HD LYS 9 84.351 -10.424 -9.488 62 2HD LYS 9 3HD LYS 9 83.769 -9.433 -10.829 63 1HE LYS 9 2HE LYS 9 85.544 -7.991 -10.700 64 2HE LYS 9 3HE LYS 9 85.612 -8.070 -8.937 65 1HZ LYS 9 HZ3 LYS 9 86.491 -10.230 -10.776 66 2HZ LYS 9 HZ2 LYS 9 87.529 -9.123 -10.011 67 3HZ LYS 9 HZ1 LYS 9 86.630 -10.228 -9.085 68 H THR 10 HN THR 10 85.385 -5.356 -8.760 69 HA THR 10 HA THR 10 87.008 -7.172 -7.275 70 HB THR 10 HB THR 10 88.857 -5.596 -7.830 71 HG1 THR 10 HG1 THR 10 86.926 -4.114 -9.227 72 1HG2 THR 10 HG21 THR 10 88.100 -7.320 -9.423 73 2HG2 THR 10 HG23 THR 10 86.926 -6.185 -10.086 74 3HG2 THR 10 HG22 THR 10 88.654 -5.870 -10.257 75 H TRP 11 HN TRP 11 85.377 -4.287 -6.168 76 HA TRP 11 HA TRP 11 86.806 -4.679 -3.580 77 1HB TRP 11 2HB TRP 11 86.309 -2.018 -3.442 78 2HB TRP 11 3HB TRP 11 87.839 -2.687 -4.012 79 HD1 TRP 11 HD1 TRP 11 87.953 -3.117 -6.725 80 HE1 TRP 11 HE1 TRP 11 87.001 -1.711 -8.649 81 HE3 TRP 11 HE3 TRP 11 84.582 -0.335 -4.121 82 HZ2 TRP 11 HZ2 TRP 11 85.073 0.395 -9.016 83 HZ3 TRP 11 HZ3 TRP 11 83.206 1.379 -5.272 84 HH2 TRP 11 HH2 TRP 11 83.447 1.748 -7.711 85 H ASN 12 HN ASN 12 83.801 -4.292 -5.202 86 HA ASN 12 HA ASN 12 82.455 -3.433 -2.706 87 1HB ASN 12 2HB ASN 12 80.556 -2.950 -3.987 88 2HB ASN 12 3HB ASN 12 81.897 -2.520 -5.040 89 1HD2 ASN 12 HD22 ASN 12 79.439 -4.699 -6.909 90 2HD2 ASN 12 HD21 ASN 12 79.262 -3.261 -6.023 91 H VAL 13 HN VAL 13 81.517 -4.774 -1.362 92 HA VAL 13 HA VAL 13 80.439 -7.350 -2.322 93 HB VAL 13 HB VAL 13 81.599 -8.593 -0.553 94 1HG1 VAL 13 HG13 VAL 13 82.669 -7.920 -2.899 95 2HG1 VAL 13 HG12 VAL 13 83.822 -7.076 -1.867 96 3HG1 VAL 13 HG11 VAL 13 83.599 -8.817 -1.704 97 1HG2 VAL 13 HG23 VAL 13 82.805 -5.884 0.048 98 2HG2 VAL 13 HG22 VAL 13 81.887 -6.923 1.138 99 3HG2 VAL 13 HG21 VAL 13 83.510 -7.392 0.632 100 H GLY 14 HN GLY 14 79.288 -4.850 -1.418 101 1HA GLY 14 2HA GLY 14 78.533 -4.651 1.250 102 2HA GLY 14 3HA GLY 14 77.443 -4.239 -0.071 103 H SER 15 HN SER 15 77.334 -6.964 -1.135 104 HA SER 15 HA SER 15 75.175 -7.966 0.478 105 1HB SER 15 2HB SER 15 75.139 -9.825 -1.078 106 2HB SER 15 3HB SER 15 75.468 -8.357 -1.990 107 HG SER 15 HG SER 15 77.797 -9.155 -1.262 108 H SER 16 HN SER 16 78.552 -8.201 0.828 109 HA SER 16 HA SER 16 78.608 -10.833 2.097 110 1HB SER 16 2HB SER 16 80.613 -8.573 1.951 111 2HB SER 16 3HB SER 16 80.936 -10.107 2.757 112 HG SER 16 HG SER 16 80.581 -11.154 0.783 113 H ASN 17 HN ASN 17 78.646 -11.278 4.310 114 HA ASN 17 HA ASN 17 77.522 -9.238 6.088 115 1HB ASN 17 2HB ASN 17 77.770 -11.150 7.797 116 2HB ASN 17 3HB ASN 17 76.664 -11.421 6.454 117 1HD2 ASN 17 HD22 ASN 17 78.568 -14.499 6.372 118 2HD2 ASN 17 HD21 ASN 17 77.241 -13.793 7.159 119 H ARG 18 HN ARG 18 78.568 -8.587 8.120 120 HA ARG 18 HA ARG 18 81.280 -7.786 7.744 121 1HB ARG 18 2HB ARG 18 79.554 -7.859 10.225 122 2HB ARG 18 3HB ARG 18 81.177 -7.168 10.194 123 1HG ARG 18 2HG ARG 18 80.310 -5.804 8.148 124 2HG ARG 18 3HG ARG 18 78.705 -6.228 8.749 125 1HD ARG 18 2HD ARG 18 80.879 -4.753 10.261 126 2HD ARG 18 3HD ARG 18 79.339 -4.092 9.713 127 HE ARG 18 HE ARG 18 78.647 -6.253 11.331 128 1HH1 ARG 18 HH21 ARG 18 80.490 -3.349 11.569 129 2HH1 ARG 18 HH22 ARG 18 80.261 -3.191 13.279 130 1HH2 ARG 18 HH11 ARG 18 78.344 -6.065 13.553 131 2HH2 ARG 18 HH12 ARG 18 79.036 -4.725 14.402 132 H ASN 19 HN ASN 19 79.906 -10.550 9.527 133 HA ASN 19 HA ASN 19 82.302 -11.314 10.853 134 1HB ASN 19 2HB ASN 19 81.334 -13.557 10.972 135 2HB ASN 19 3HB ASN 19 80.075 -12.354 11.266 136 1HD2 ASN 19 HD22 ASN 19 78.797 -14.800 8.727 137 2HD2 ASN 19 HD21 ASN 19 79.368 -14.944 10.319 138 H LYS 20 HN LYS 20 81.121 -12.124 7.571 139 HA LYS 20 HA LYS 20 83.397 -13.754 6.894 140 1HB LYS 20 2HB LYS 20 81.238 -13.751 5.614 141 2HB LYS 20 3HB LYS 20 81.650 -12.149 5.000 142 1HG LYS 20 2HG LYS 20 83.704 -13.062 3.989 143 2HG LYS 20 3HG LYS 20 83.315 -14.661 4.626 144 1HD LYS 20 2HD LYS 20 81.005 -14.152 3.351 145 2HD LYS 20 3HD LYS 20 82.080 -13.171 2.361 146 1HE LYS 20 2HE LYS 20 83.486 -15.088 1.878 147 2HE LYS 20 3HE LYS 20 82.579 -16.089 3.012 148 1HZ LYS 20 HZ1 LYS 20 81.103 -14.756 0.862 149 2HZ LYS 20 HZ3 LYS 20 82.049 -16.103 0.455 150 3HZ LYS 20 HZ2 LYS 20 80.812 -16.253 1.609 151 H ALA 21 HN ALA 21 82.758 -10.296 6.846 152 HA ALA 21 HA ALA 21 84.929 -9.478 5.192 153 1HB ALA 21 HB1 ALA 21 83.501 -8.111 7.483 154 2HB ALA 21 HB3 ALA 21 84.812 -7.334 6.605 155 3HB ALA 21 HB2 ALA 21 83.337 -7.794 5.761 156 H GLU 22 HN GLU 22 84.765 -10.250 8.667 157 HA GLU 22 HA GLU 22 87.399 -9.420 9.368 158 1HB GLU 22 2HB GLU 22 85.685 -11.688 10.425 159 2HB GLU 22 3HB GLU 22 87.227 -11.229 11.142 160 1HG GLU 22 2HG GLU 22 86.381 -8.971 11.578 161 2HG GLU 22 3HG GLU 22 84.844 -9.384 10.814 162 H ASN 23 HN ASN 23 86.193 -12.561 8.193 163 HA ASN 23 HA ASN 23 88.714 -13.881 8.108 164 1HB ASN 23 2HB ASN 23 86.232 -14.217 6.397 165 2HB ASN 23 3HB ASN 23 87.623 -15.294 6.312 166 1HD2 ASN 23 HD22 ASN 23 85.190 -16.758 8.744 167 2HD2 ASN 23 HD21 ASN 23 85.138 -16.353 7.096 168 H LEU 24 HN LEU 24 86.955 -11.909 5.734 169 HA LEU 24 HA LEU 24 88.923 -12.111 3.652 170 1HB LEU 24 2HB LEU 24 86.833 -9.996 4.248 171 2HB LEU 24 3HB LEU 24 87.797 -10.033 2.777 172 HG LEU 24 HG LEU 24 86.036 -12.319 3.703 173 1HD1 LEU 24 HD12 LEU 24 85.492 -9.895 2.059 174 2HD1 LEU 24 HD11 LEU 24 84.822 -11.420 1.480 175 3HD1 LEU 24 HD13 LEU 24 84.399 -10.823 3.086 176 1HD2 LEU 24 HD21 LEU 24 87.945 -11.870 1.486 177 2HD2 LEU 24 HD23 LEU 24 87.396 -13.384 2.211 178 3HD2 LEU 24 HD22 LEU 24 86.398 -12.570 1.007 179 H LEU 25 HN LEU 25 88.462 -9.909 6.391 180 HA LEU 25 HA LEU 25 90.797 -8.283 5.588 181 1HB LEU 25 2HB LEU 25 88.891 -8.139 7.942 182 2HB LEU 25 3HB LEU 25 90.268 -7.062 7.750 183 HG LEU 25 HG LEU 25 88.384 -7.329 5.438 184 1HD1 LEU 25 HD13 LEU 25 86.945 -7.087 7.477 185 2HD1 LEU 25 HD12 LEU 25 87.830 -5.612 7.873 186 3HD1 LEU 25 HD11 LEU 25 86.858 -5.694 6.401 187 1HD2 LEU 25 HD22 LEU 25 90.139 -5.194 6.668 188 2HD2 LEU 25 HD21 LEU 25 90.173 -5.842 5.027 189 3HD2 LEU 25 HD23 LEU 25 88.872 -4.765 5.521 190 H ARG 26 HN ARG 26 90.274 -11.164 7.255 191 HA ARG 26 HA ARG 26 92.564 -10.727 9.066 192 1HB ARG 26 2HB ARG 26 90.466 -12.884 8.873 193 2HB ARG 26 3HB ARG 26 91.919 -13.102 9.858 194 1HG ARG 26 2HG ARG 26 90.294 -10.598 10.165 195 2HG ARG 26 3HG ARG 26 89.737 -12.084 10.936 196 1HD ARG 26 2HD ARG 26 92.593 -11.201 11.264 197 2HD ARG 26 3HD ARG 26 91.332 -10.483 12.263 198 HE ARG 26 HE ARG 26 90.910 -13.218 12.511 199 1HH1 ARG 26 HH21 ARG 26 93.552 -11.038 12.879 200 2HH1 ARG 26 HH22 ARG 26 94.312 -11.951 14.140 201 1HH2 ARG 26 HH11 ARG 26 91.904 -14.446 14.141 202 2HH2 ARG 26 HH12 ARG 26 93.382 -13.881 14.846 203 H GLY 27 HN GLY 27 91.705 -12.309 6.183 204 1HA GLY 27 2HA GLY 27 94.312 -13.750 6.116 205 2HA GLY 27 3HA GLY 27 92.945 -14.080 5.044 206 H LYS 28 HN LYS 28 93.340 -10.770 5.548 207 HA LYS 28 HA LYS 28 94.778 -10.570 2.945 208 1HB LYS 28 2HB LYS 28 92.559 -8.905 4.118 209 2HB LYS 28 3HB LYS 28 93.574 -8.306 2.814 210 1HG LYS 28 2HG LYS 28 92.274 -11.014 2.594 211 2HG LYS 28 3HG LYS 28 91.361 -9.555 2.205 212 1HD LYS 28 2HD LYS 28 92.307 -9.563 0.163 213 2HD LYS 28 3HD LYS 28 93.873 -9.273 0.923 214 1HE LYS 28 2HE LYS 28 94.363 -11.590 1.031 215 2HE LYS 28 3HE LYS 28 92.692 -12.041 0.696 216 1HZ LYS 28 HZ3 LYS 28 94.373 -10.530 -1.219 217 2HZ LYS 28 HZ2 LYS 28 94.265 -12.226 -1.227 218 3HZ LYS 28 HZ1 LYS 28 92.883 -11.280 -1.518 219 H ARG 29 HN ARG 29 96.446 -9.174 2.756 220 HA ARG 29 HA ARG 29 97.701 -8.247 5.237 221 1HB ARG 29 2HB ARG 29 98.594 -8.124 2.343 222 2HB ARG 29 3HB ARG 29 99.587 -7.645 3.725 223 1HG ARG 29 2HG ARG 29 99.396 -9.914 4.660 224 2HG ARG 29 3HG ARG 29 98.386 -10.395 3.297 225 1HD ARG 29 2HD ARG 29 100.268 -9.807 1.755 226 2HD ARG 29 3HD ARG 29 101.271 -9.488 3.172 227 HE ARG 29 HE ARG 29 100.327 -12.045 3.618 228 1HH1 ARG 29 HH21 ARG 29 101.881 -10.405 1.017 229 2HH1 ARG 29 HH22 ARG 29 102.735 -11.808 0.470 230 1HH2 ARG 29 HH11 ARG 29 101.451 -13.879 2.931 231 2HH2 ARG 29 HH12 ARG 29 102.509 -13.767 1.564 232 H ASP 30 HN ASP 30 98.689 -5.995 5.213 233 HA ASP 30 HA ASP 30 96.678 -4.017 5.072 234 1HB ASP 30 2HB ASP 30 98.790 -3.796 6.375 235 2HB ASP 30 3HB ASP 30 99.682 -3.621 4.865 236 H GLY 31 HN GLY 31 96.097 -2.531 3.490 237 1HA GLY 31 2HA GLY 31 96.584 -1.346 1.384 238 2HA GLY 31 3HA GLY 31 97.500 -2.759 0.864 239 H THR 32 HN THR 32 95.462 -4.657 1.830 240 HA THR 32 HA THR 32 93.694 -4.511 -0.521 241 HB THR 32 HB THR 32 93.942 -6.545 1.703 242 HG1 THR 32 HG1 THR 32 95.561 -7.231 0.605 243 1HG2 THR 32 HG22 THR 32 91.953 -6.198 -0.331 244 2HG2 THR 32 HG21 THR 32 92.885 -7.647 -0.702 245 3HG2 THR 32 HG23 THR 32 92.080 -7.491 0.862 246 H PHE 33 HN PHE 33 91.613 -3.703 -0.403 247 HA PHE 33 HA PHE 33 90.270 -3.821 2.245 248 1HB PHE 33 2HB PHE 33 89.806 -1.587 2.416 249 2HB PHE 33 3HB PHE 33 91.348 -1.467 1.572 250 HD1 PHE 33 HD1 PHE 33 90.871 -2.023 -1.156 251 HD2 PHE 33 HD2 PHE 33 88.239 -0.059 1.613 252 HE1 PHE 33 HE1 PHE 33 89.718 -0.882 -3.028 253 HE2 PHE 33 HE2 PHE 33 87.105 1.071 -0.285 254 HZ PHE 33 HZ PHE 33 87.839 0.652 -2.592 255 H LEU 34 HN LEU 34 87.912 -3.133 1.958 256 HA LEU 34 HA LEU 34 86.873 -3.888 -0.727 257 1HB LEU 34 2HB LEU 34 85.199 -5.378 0.378 258 2HB LEU 34 3HB LEU 34 86.854 -5.960 0.557 259 HG LEU 34 HG LEU 34 85.763 -4.126 2.647 260 1HD1 LEU 34 HD12 LEU 34 85.057 -7.045 2.299 261 2HD1 LEU 34 HD11 LEU 34 84.957 -6.222 3.854 262 3HD1 LEU 34 HD13 LEU 34 83.955 -5.686 2.505 263 1HD2 LEU 34 HD23 LEU 34 88.136 -5.467 2.251 264 2HD2 LEU 34 HD22 LEU 34 87.562 -4.880 3.808 265 3HD2 LEU 34 HD21 LEU 34 87.276 -6.555 3.342 266 H VAL 35 HN VAL 35 84.425 -3.426 -0.780 267 HA VAL 35 HA VAL 35 83.879 -1.046 0.923 268 HB VAL 35 HB VAL 35 83.162 -1.543 -1.972 269 1HG1 VAL 35 HG11 VAL 35 82.221 0.507 0.026 270 2HG1 VAL 35 HG13 VAL 35 82.273 0.885 -1.699 271 3HG1 VAL 35 HG12 VAL 35 81.264 -0.442 -1.112 272 1HG2 VAL 35 HG23 VAL 35 85.099 0.187 -0.473 273 2HG2 VAL 35 HG22 VAL 35 85.333 -0.708 -1.974 274 3HG2 VAL 35 HG21 VAL 35 84.412 0.797 -1.981 275 H ARG 36 HN ARG 36 81.984 -1.073 2.055 276 HA ARG 36 HA ARG 36 79.856 -2.952 1.204 277 1HB ARG 36 2HB ARG 36 81.210 -2.969 3.914 278 2HB ARG 36 3HB ARG 36 79.658 -3.743 3.596 279 1HG ARG 36 2HG ARG 36 80.702 -5.092 1.819 280 2HG ARG 36 3HG ARG 36 82.259 -4.351 2.185 281 1HD ARG 36 2HD ARG 36 81.843 -6.611 3.296 282 2HD ARG 36 3HD ARG 36 82.295 -5.300 4.388 283 HE ARG 36 HE ARG 36 79.535 -5.197 4.355 284 1HH1 ARG 36 HH21 ARG 36 81.916 -7.612 4.881 285 2HH1 ARG 36 HH22 ARG 36 80.963 -8.503 6.016 286 1HH2 ARG 36 HH11 ARG 36 78.252 -6.331 5.807 287 2HH2 ARG 36 HH12 ARG 36 78.858 -7.781 6.528 288 H GLU 37 HN GLU 37 78.347 -2.573 3.672 289 HA GLU 37 HA GLU 37 77.710 0.302 3.266 290 1HB GLU 37 2HB GLU 37 75.932 -1.835 4.467 291 2HB GLU 37 3HB GLU 37 75.453 -0.216 3.963 292 1HG GLU 37 2HG GLU 37 76.507 -2.373 2.115 293 2HG GLU 37 3HG GLU 37 74.809 -1.930 2.286 294 H SER 38 HN SER 38 76.681 1.266 5.390 295 HA SER 38 HA SER 38 78.641 0.862 7.530 296 1HB SER 38 2HB SER 38 77.452 2.616 8.690 297 2HB SER 38 3HB SER 38 77.515 3.088 6.995 298 HG SER 38 HG SER 38 75.365 1.969 8.462 299 H SER 39 HN SER 39 76.521 -1.004 6.369 300 HA SER 39 HA SER 39 75.934 -3.087 7.479 301 1HB SER 39 2HB SER 39 76.523 -2.119 9.742 302 2HB SER 39 3HB SER 39 74.954 -1.310 9.741 303 HG SER 39 HG SER 39 74.833 -3.964 9.093 304 H LYS 40 HN LYS 40 74.064 -3.867 6.636 305 HA LYS 40 HA LYS 40 71.905 -3.899 5.727 306 1HB LYS 40 2HB LYS 40 71.433 -1.661 7.733 307 2HB LYS 40 3HB LYS 40 70.181 -2.548 6.865 308 1HG LYS 40 2HG LYS 40 70.841 -4.635 7.910 309 2HG LYS 40 3HG LYS 40 72.223 -3.854 8.676 310 1HD LYS 40 2HD LYS 40 70.459 -4.058 10.323 311 2HD LYS 40 3HD LYS 40 70.626 -2.355 9.901 312 1HE LYS 40 2HE LYS 40 68.695 -2.471 8.440 313 2HE LYS 40 3HE LYS 40 68.591 -4.220 8.649 314 1HZ LYS 40 HZ2 LYS 40 68.477 -2.403 10.966 315 2HZ LYS 40 HZ1 LYS 40 67.081 -2.741 10.061 316 3HZ LYS 40 HZ3 LYS 40 67.914 -3.999 10.838 317 H GLN 41 HN GLN 41 70.259 -1.410 5.480 318 HA GLN 41 HA GLN 41 71.837 -0.180 3.259 319 1HB GLN 41 2HB GLN 41 68.847 -0.409 3.697 320 2HB GLN 41 3HB GLN 41 69.589 0.481 2.366 321 1HG GLN 41 2HG GLN 41 69.040 -1.712 1.533 322 2HG GLN 41 3HG GLN 41 70.793 -1.662 1.734 323 1HE2 GLN 41 HE22 GLN 41 70.506 -4.653 3.613 324 2HE2 GLN 41 HE21 GLN 41 71.171 -3.888 2.252 325 H GLY 42 HN GLY 42 72.017 2.089 3.169 326 1HA GLY 42 2HA GLY 42 70.585 4.100 4.285 327 2HA GLY 42 3HA GLY 42 71.427 3.476 5.704 328 H CYS 43 HN CYS 43 73.917 3.082 5.143 329 HA CYS 43 HA CYS 43 74.898 5.453 3.610 330 1HB CYS 43 2HB CYS 43 75.894 4.488 6.308 331 2HB CYS 43 3HB CYS 43 76.616 5.794 5.368 332 HG CYS 43 HG CYS 43 74.446 7.198 5.715 333 H TYR 44 HN TYR 44 77.526 5.125 3.627 334 HA TYR 44 HA TYR 44 77.965 2.333 2.651 335 1HB TYR 44 2HB TYR 44 78.953 4.989 1.621 336 2HB TYR 44 3HB TYR 44 79.779 3.485 1.211 337 HD1 TYR 44 HD2 TYR 44 76.653 5.424 0.862 338 HD2 TYR 44 HD1 TYR 44 78.743 1.834 -0.227 339 HE1 TYR 44 HE2 TYR 44 74.972 4.975 -0.908 340 HE2 TYR 44 HE1 TYR 44 77.067 1.388 -1.993 341 HH TYR 44 HH TYR 44 75.447 2.754 -3.373 342 H ALA 45 HN ALA 45 80.118 1.441 3.037 343 HA ALA 45 HA ALA 45 82.018 2.944 4.659 344 1HB ALA 45 HB1 ALA 45 80.388 2.211 6.389 345 2HB ALA 45 HB3 ALA 45 80.645 0.538 5.899 346 3HB ALA 45 HB2 ALA 45 81.966 1.460 6.612 347 H CYS 46 HN CYS 46 84.055 2.128 4.304 348 HA CYS 46 HA CYS 46 84.210 -0.507 2.909 349 1HB CYS 46 2HB CYS 46 86.324 1.641 2.706 350 2HB CYS 46 3HB CYS 46 86.030 0.298 1.598 351 HG CYS 46 HG CYS 46 84.915 2.948 1.146 352 H SER 47 HN SER 47 85.658 -1.990 3.708 353 HA SER 47 HA SER 47 87.019 -1.180 6.239 354 1HB SER 47 2HB SER 47 85.387 -2.985 6.520 355 2HB SER 47 3HB SER 47 86.202 -3.931 5.276 356 HG SER 47 HG SER 47 86.746 -3.837 7.848 357 H VAL 48 HN VAL 48 89.219 -1.291 6.365 358 HA VAL 48 HA VAL 48 90.644 -2.701 4.139 359 HB VAL 48 HB VAL 48 90.803 -0.291 3.750 360 1HG1 VAL 48 HG12 VAL 48 90.389 0.354 6.139 361 2HG1 VAL 48 HG11 VAL 48 92.038 -0.143 6.510 362 3HG1 VAL 48 HG13 VAL 48 91.752 1.208 5.416 363 1HG2 VAL 48 HG23 VAL 48 92.796 -1.873 3.450 364 2HG2 VAL 48 HG22 VAL 48 93.182 -0.155 3.572 365 3HG2 VAL 48 HG21 VAL 48 93.407 -1.213 4.967 366 H VAL 49 HN VAL 49 92.789 -3.388 4.700 367 HA VAL 49 HA VAL 49 93.094 -3.972 7.610 368 HB VAL 49 HB VAL 49 94.515 -5.150 5.205 369 1HG1 VAL 49 HG13 VAL 49 94.746 -5.584 8.171 370 2HG1 VAL 49 HG12 VAL 49 95.180 -6.860 7.030 371 3HG1 VAL 49 HG11 VAL 49 96.032 -5.313 6.992 372 1HG2 VAL 49 HG21 VAL 49 92.224 -6.092 6.933 373 2HG2 VAL 49 HG23 VAL 49 92.312 -6.013 5.174 374 3HG2 VAL 49 HG22 VAL 49 93.233 -7.236 6.045 375 H VAL 50 HN VAL 50 94.809 -3.021 8.730 376 HA VAL 50 HA VAL 50 96.725 -1.468 7.047 377 HB VAL 50 HB VAL 50 95.504 -0.738 9.718 378 1HG1 VAL 50 HG11 VAL 50 97.986 0.150 8.377 379 2HG1 VAL 50 HG13 VAL 50 96.933 1.447 8.942 380 3HG1 VAL 50 HG12 VAL 50 97.533 0.240 10.078 381 1HG2 VAL 50 HG23 VAL 50 95.205 0.191 6.889 382 2HG2 VAL 50 HG22 VAL 50 93.972 -0.008 8.135 383 3HG2 VAL 50 HG21 VAL 50 95.058 1.381 8.183 384 H ASP 51 HN ASP 51 98.854 -1.364 7.785 385 HA ASP 51 HA ASP 51 100.083 -3.666 8.676 386 1HB ASP 51 2HB ASP 51 101.229 -1.669 7.698 387 2HB ASP 51 3HB ASP 51 101.033 -0.851 9.250 388 H GLY 52 HN GLY 52 98.342 -1.412 10.498 389 1HA GLY 52 2HA GLY 52 99.526 -2.303 13.049 390 2HA GLY 52 3HA GLY 52 98.321 -1.029 12.865 391 H GLU 53 HN GLU 53 96.233 -2.117 11.618 392 HA GLU 53 HA GLU 53 95.638 -4.806 12.577 393 1HB GLU 53 2HB GLU 53 93.824 -4.095 14.133 394 2HB GLU 53 3HB GLU 53 95.431 -3.626 14.688 395 1HG GLU 53 2HG GLU 53 95.100 -1.367 13.750 396 2HG GLU 53 3HG GLU 53 93.481 -1.831 13.222 397 H VAL 54 HN VAL 54 93.000 -4.990 12.457 398 HA VAL 54 HA VAL 54 92.379 -4.115 9.708 399 HB VAL 54 HB VAL 54 90.948 -5.940 11.660 400 1HG1 VAL 54 HG13 VAL 54 90.153 -4.981 8.898 401 2HG1 VAL 54 HG12 VAL 54 89.440 -6.393 9.680 402 3HG1 VAL 54 HG11 VAL 54 89.241 -4.793 10.396 403 1HG2 VAL 54 HG21 VAL 54 92.684 -6.256 9.225 404 2HG2 VAL 54 HG23 VAL 54 92.699 -7.173 10.731 405 3HG2 VAL 54 HG22 VAL 54 91.434 -7.463 9.539 406 H LYS 55 HN LYS 55 90.897 -2.495 9.235 407 HA LYS 55 HA LYS 55 89.371 -1.364 11.546 408 1HB LYS 55 2HB LYS 55 90.902 0.218 9.467 409 2HB LYS 55 3HB LYS 55 89.890 0.906 10.738 410 1HG LYS 55 2HG LYS 55 91.663 0.844 12.128 411 2HG LYS 55 3HG LYS 55 91.642 -0.918 12.012 412 1HD LYS 55 2HD LYS 55 93.084 -0.868 10.069 413 2HD LYS 55 3HD LYS 55 93.008 0.893 10.009 414 1HE LYS 55 2HE LYS 55 93.846 0.402 12.604 415 2HE LYS 55 3HE LYS 55 94.683 -0.842 11.680 416 1HZ LYS 55 HZ2 LYS 55 95.189 1.118 10.086 417 2HZ LYS 55 HZ1 LYS 55 94.862 2.088 11.442 418 3HZ LYS 55 HZ3 LYS 55 96.108 0.939 11.502 419 H HIS 56 HN HIS 56 87.497 -0.122 10.960 420 HA HIS 56 HA HIS 56 86.382 -0.888 8.298 421 1HB HIS 56 2HB HIS 56 85.049 -0.456 10.980 422 2HB HIS 56 3HB HIS 56 84.138 -0.501 9.469 423 HD1 HIS 56 HD1 HIS 56 86.264 -2.745 8.322 424 HD2 HIS 56 HD2 HIS 56 83.826 -2.999 11.693 425 HE1 HIS 56 HE1 HIS 56 85.932 -5.209 8.791 426 H CYS 57 HN CYS 57 86.957 0.938 7.121 427 HA CYS 57 HA CYS 57 86.700 3.635 8.157 428 1HB CYS 57 2HB CYS 57 86.905 2.630 5.296 429 2HB CYS 57 3HB CYS 57 87.129 4.305 5.805 430 HG CYS 57 HG CYS 57 89.241 3.507 7.192 431 H VAL 58 HN VAL 58 84.940 5.065 7.870 432 HA VAL 58 HA VAL 58 82.474 3.741 6.834 433 HB VAL 58 HB VAL 58 83.032 5.570 9.123 434 1HG1 VAL 58 HG11 VAL 58 80.477 5.535 7.502 435 2HG1 VAL 58 HG13 VAL 58 80.505 6.006 9.203 436 3HG1 VAL 58 HG12 VAL 58 81.422 6.933 8.015 437 1HG2 VAL 58 HG23 VAL 58 82.721 3.137 9.428 438 2HG2 VAL 58 HG22 VAL 58 81.429 4.044 10.217 439 3HG2 VAL 58 HG21 VAL 58 81.130 3.248 8.673 440 H ILE 59 HN ILE 59 81.315 4.675 5.233 441 HA ILE 59 HA ILE 59 82.168 7.366 4.261 442 HB ILE 59 HB ILE 59 80.726 5.097 2.847 443 1HG1 ILE 59 HG12 ILE 59 83.434 6.302 2.244 444 2HG1 ILE 59 HG11 ILE 59 83.217 4.883 3.270 445 1HG2 ILE 59 HG21 ILE 59 80.009 7.421 2.152 446 2HG2 ILE 59 HG23 ILE 59 81.681 7.703 1.657 447 3HG2 ILE 59 HG22 ILE 59 80.726 6.449 0.866 448 1HD1 ILE 59 HD12 ILE 59 81.958 4.952 0.544 449 2HD1 ILE 59 HD11 ILE 59 83.665 4.555 0.705 450 3HD1 ILE 59 HD13 ILE 59 82.449 3.558 1.502 451 H ASN 60 HN ASN 60 80.532 9.023 4.198 452 HA ASN 60 HA ASN 60 77.863 8.158 5.269 453 1HB ASN 60 2HB ASN 60 79.420 10.683 5.874 454 2HB ASN 60 3HB ASN 60 77.775 10.366 6.425 455 1HD2 ASN 60 HD22 ASN 60 78.932 7.585 8.550 456 2HD2 ASN 60 HD21 ASN 60 77.738 7.853 7.372 457 H LYS 61 HN LYS 61 76.075 8.851 4.197 458 HA LYS 61 HA LYS 61 76.463 10.795 1.962 459 1HB LYS 61 2HB LYS 61 74.279 8.730 2.370 460 2HB LYS 61 3HB LYS 61 74.401 9.832 0.999 461 1HG LYS 61 2HG LYS 61 76.844 8.800 0.830 462 2HG LYS 61 3HG LYS 61 76.078 7.451 1.666 463 1HD LYS 61 2HD LYS 61 75.074 8.701 -0.908 464 2HD LYS 61 3HD LYS 61 75.966 7.183 -0.797 465 1HE LYS 61 2HE LYS 61 74.167 6.283 0.681 466 2HE LYS 61 3HE LYS 61 73.258 7.773 0.434 467 1HZ LYS 61 HZ3 LYS 61 74.078 6.773 -2.058 468 2HZ LYS 61 HZ2 LYS 61 73.325 5.513 -1.200 469 3HZ LYS 61 HZ1 LYS 61 72.501 6.975 -1.472 470 H THR 62 HN THR 62 75.672 12.769 2.301 471 HA THR 62 HA THR 62 73.275 13.075 4.053 472 HB THR 62 HB THR 62 74.222 15.044 5.075 473 HG1 THR 62 HG1 THR 62 75.761 16.097 4.134 474 1HG2 THR 62 HG23 THR 62 74.938 12.758 5.907 475 2HG2 THR 62 HG22 THR 62 76.434 12.978 4.997 476 3HG2 THR 62 HG21 THR 62 76.035 14.077 6.320 477 H ALA 63 HN ALA 63 72.445 15.476 3.685 478 HA ALA 63 HA ALA 63 71.400 15.709 1.129 479 1HB ALA 63 HB3 ALA 63 72.139 17.842 3.139 480 2HB ALA 63 HB2 ALA 63 71.305 18.226 1.631 481 3HB ALA 63 HB1 ALA 63 70.549 17.157 2.812 482 H THR 64 HN THR 64 74.607 16.644 2.221 483 HA THR 64 HA THR 64 75.363 17.042 -0.620 484 HB THR 64 HB THR 64 74.846 19.291 0.359 485 HG1 THR 64 HG1 THR 64 77.085 18.453 -0.847 486 1HG2 THR 64 HG23 THR 64 76.131 18.231 2.600 487 2HG2 THR 64 HG22 THR 64 77.275 19.413 1.964 488 3HG2 THR 64 HG21 THR 64 75.635 19.908 2.380 489 H GLY 65 HN GLY 65 75.843 15.385 2.099 490 1HA GLY 65 2HA GLY 65 78.805 15.483 2.123 491 2HA GLY 65 3HA GLY 65 77.800 14.585 3.252 492 H TYR 66 HN TYR 66 79.529 12.911 2.620 493 HA TYR 66 HA TYR 66 78.363 10.877 1.062 494 1HB TYR 66 2HB TYR 66 79.335 12.812 -0.624 495 2HB TYR 66 3HB TYR 66 80.684 11.679 -0.544 496 HD1 TYR 66 HD1 TYR 66 80.040 9.143 -0.698 497 HD2 TYR 66 HD2 TYR 66 77.567 12.358 -2.113 498 HE1 TYR 66 HE1 TYR 66 78.840 7.568 -2.176 499 HE2 TYR 66 HE2 TYR 66 76.361 10.776 -3.592 500 HH TYR 66 HH TYR 66 77.491 7.533 -4.115 501 H GLY 67 HN GLY 67 81.156 12.336 2.481 502 1HA GLY 67 2HA GLY 67 81.976 10.044 3.904 503 2HA GLY 67 3HA GLY 67 82.953 10.099 2.431 504 H PHE 68 HN PHE 68 84.938 10.701 3.449 505 HA PHE 68 HA PHE 68 85.267 12.644 5.475 506 1HB PHE 68 2HB PHE 68 87.126 12.243 3.107 507 2HB PHE 68 3HB PHE 68 87.558 12.907 4.678 508 HD1 PHE 68 HD1 PHE 68 85.316 10.486 5.624 509 HD2 PHE 68 HD2 PHE 68 89.209 10.799 3.828 510 HE1 PHE 68 HE1 PHE 68 85.865 8.212 6.414 511 HE2 PHE 68 HE2 PHE 68 89.755 8.519 4.626 512 HZ PHE 68 HZ PHE 68 88.083 7.225 5.917 513 H ALA 69 HN ALA 69 85.524 14.967 5.395 514 HA ALA 69 HA ALA 69 84.906 16.209 2.741 515 1HB ALA 69 HB1 ALA 69 82.889 16.163 4.268 516 2HB ALA 69 HB3 ALA 69 83.788 17.199 5.380 517 3HB ALA 69 HB2 ALA 69 83.390 17.777 3.762 518 H GLU 70 HN GLU 70 87.477 15.882 4.312 519 HA GLU 70 HA GLU 70 88.050 18.771 4.846 520 1HB GLU 70 2HB GLU 70 88.551 16.932 6.612 521 2HB GLU 70 3HB GLU 70 89.893 16.488 5.561 522 1HG GLU 70 2HG GLU 70 90.836 18.026 7.095 523 2HG GLU 70 3HG GLU 70 90.555 18.975 5.636 524 HA PRO 71 HA PRO 71 91.316 17.356 1.699 525 1HB PRO 71 2HB PRO 71 91.020 14.935 0.485 526 2HB PRO 71 3HB PRO 71 91.843 15.145 2.041 527 1HG PRO 71 2HG PRO 71 89.223 13.970 1.456 528 2HG PRO 71 3HG PRO 71 90.276 13.745 2.858 529 1HD PRO 71 2HD PRO 71 87.949 15.422 2.672 530 2HD PRO 71 3HD PRO 71 89.035 15.219 4.059 531 H TYR 72 HN TYR 72 87.998 16.384 0.895 532 HA TYR 72 HA TYR 72 88.091 18.050 -1.525 533 1HB TYR 72 2HB TYR 72 87.270 16.197 -2.972 534 2HB TYR 72 3HB TYR 72 88.889 15.869 -2.345 535 HD1 TYR 72 HD1 TYR 72 85.275 15.052 -1.959 536 HD2 TYR 72 HD2 TYR 72 89.292 14.113 -0.758 537 HE1 TYR 72 HE1 TYR 72 84.466 12.980 -0.852 538 HE2 TYR 72 HE2 TYR 72 88.480 12.048 0.351 539 HH TYR 72 HH TYR 72 86.413 11.161 1.293 540 H ASN 73 HN ASN 73 85.935 18.341 -2.433 541 HA ASN 73 HA ASN 73 83.794 17.961 -0.391 542 1HB ASN 73 2HB ASN 73 82.647 19.841 -1.441 543 2HB ASN 73 3HB ASN 73 84.310 20.318 -1.101 544 1HD2 ASN 73 HD22 ASN 73 82.996 20.192 -4.936 545 2HD2 ASN 73 HD21 ASN 73 81.976 19.802 -3.637 546 H LEU 74 HN LEU 74 82.753 16.060 -0.905 547 HA LEU 74 HA LEU 74 81.617 14.448 -2.194 548 1HB LEU 74 2HB LEU 74 80.031 16.322 -2.248 549 2HB LEU 74 3HB LEU 74 80.849 16.986 -3.661 550 HG LEU 74 HG LEU 74 80.309 14.898 -4.913 551 1HD1 LEU 74 HD13 LEU 74 79.027 14.239 -2.265 552 2HD1 LEU 74 HD12 LEU 74 78.381 13.558 -3.760 553 3HD1 LEU 74 HD11 LEU 74 80.044 13.221 -3.281 554 1HD2 LEU 74 HD21 LEU 74 78.836 16.987 -4.828 555 2HD2 LEU 74 HD23 LEU 74 78.025 15.498 -5.316 556 3HD2 LEU 74 HD22 LEU 74 77.827 16.112 -3.675 557 H TYR 75 HN TYR 75 83.302 13.255 -3.215 558 HA TYR 75 HA TYR 75 84.866 14.115 -5.426 559 1HB TYR 75 2HB TYR 75 84.507 11.420 -5.915 560 2HB TYR 75 3HB TYR 75 85.735 12.098 -4.851 561 HD1 TYR 75 HD2 TYR 75 82.024 11.549 -4.616 562 HD2 TYR 75 HD1 TYR 75 85.889 10.984 -2.837 563 HE1 TYR 75 HE2 TYR 75 80.967 10.442 -2.680 564 HE2 TYR 75 HE1 TYR 75 84.831 9.871 -0.889 565 HH TYR 75 HH TYR 75 82.907 9.333 0.101 566 H SER 76 HN SER 76 84.601 13.692 -7.700 567 HA SER 76 HA SER 76 82.050 14.333 -8.762 568 1HB SER 76 2HB SER 76 83.014 13.838 -10.926 569 2HB SER 76 3HB SER 76 84.264 14.582 -9.934 570 HG SER 76 HG SER 76 84.235 12.165 -11.087 571 H SER 77 HN SER 77 83.608 11.134 -8.369 572 HA SER 77 HA SER 77 80.924 9.912 -8.605 573 1HB SER 77 2HB SER 77 83.245 9.047 -10.354 574 2HB SER 77 3HB SER 77 81.647 8.312 -10.312 575 HG SER 77 HG SER 77 80.794 10.284 -11.041 576 H LEU 78 HN LEU 78 80.920 7.648 -7.878 577 HA LEU 78 HA LEU 78 82.494 7.213 -5.527 578 1HB LEU 78 2HB LEU 78 80.798 5.370 -7.229 579 2HB LEU 78 3HB LEU 78 81.599 4.823 -5.757 580 HG LEU 78 HG LEU 78 79.727 7.204 -5.850 581 1HD1 LEU 78 HD12 LEU 78 79.202 4.292 -5.646 582 2HD1 LEU 78 HD11 LEU 78 78.376 5.302 -4.459 583 3HD1 LEU 78 HD13 LEU 78 78.136 5.592 -6.184 584 1HD2 LEU 78 HD23 LEU 78 81.521 6.084 -3.886 585 2HD2 LEU 78 HD22 LEU 78 80.502 7.519 -3.752 586 3HD2 LEU 78 HD21 LEU 78 79.858 5.938 -3.313 587 H LYS 79 HN LYS 79 82.913 6.229 -8.895 588 HA LYS 79 HA LYS 79 84.926 4.251 -8.525 589 1HB LYS 79 2HB LYS 79 84.394 6.185 -10.791 590 2HB LYS 79 3HB LYS 79 85.629 4.930 -10.873 591 1HG LYS 79 2HG LYS 79 83.942 3.197 -10.503 592 2HG LYS 79 3HG LYS 79 82.692 4.429 -10.317 593 1HD LYS 79 2HD LYS 79 82.365 4.054 -12.545 594 2HD LYS 79 3HD LYS 79 83.725 5.165 -12.712 595 1HE LYS 79 2HE LYS 79 84.104 3.132 -14.048 596 2HE LYS 79 3HE LYS 79 85.290 3.257 -12.749 597 1HZ LYS 79 HZ2 LYS 79 82.850 1.840 -12.080 598 2HZ LYS 79 HZ1 LYS 79 83.837 1.076 -13.232 599 3HZ LYS 79 HZ3 LYS 79 84.464 1.465 -11.706 600 H GLU 80 HN GLU 80 85.148 7.782 -8.878 601 HA GLU 80 HA GLU 80 88.022 7.898 -8.800 602 1HB GLU 80 2HB GLU 80 85.927 9.961 -8.035 603 2HB GLU 80 3HB GLU 80 87.651 10.299 -8.168 604 1HG GLU 80 2HG GLU 80 85.943 9.188 -10.406 605 2HG GLU 80 3HG GLU 80 86.399 10.883 -10.244 606 H LEU 81 HN LEU 81 85.528 7.650 -6.369 607 HA LEU 81 HA LEU 81 86.952 8.489 -4.068 608 1HB LEU 81 2HB LEU 81 84.508 7.879 -4.184 609 2HB LEU 81 3HB LEU 81 84.993 6.182 -4.203 610 HG LEU 81 HG LEU 81 85.896 8.101 -2.044 611 1HD1 LEU 81 HD12 LEU 81 83.324 7.765 -2.291 612 2HD1 LEU 81 HD11 LEU 81 83.640 6.130 -1.706 613 3HD1 LEU 81 HD13 LEU 81 84.055 7.521 -0.704 614 1HD2 LEU 81 HD21 LEU 81 86.221 5.228 -2.649 615 2HD2 LEU 81 HD23 LEU 81 87.221 6.290 -1.657 616 3HD2 LEU 81 HD22 LEU 81 85.758 5.572 -0.982 617 H VAL 82 HN VAL 82 86.768 5.232 -5.554 618 HA VAL 82 HA VAL 82 88.599 4.116 -3.597 619 HB VAL 82 HB VAL 82 87.713 3.080 -6.313 620 1HG1 VAL 82 HG11 VAL 82 89.569 2.019 -4.211 621 2HG1 VAL 82 HG13 VAL 82 88.552 0.881 -5.093 622 3HG1 VAL 82 HG12 VAL 82 89.692 1.907 -5.966 623 1HG2 VAL 82 HG22 VAL 82 86.709 2.832 -3.506 624 2HG2 VAL 82 HG21 VAL 82 85.802 2.878 -5.019 625 3HG2 VAL 82 HG23 VAL 82 86.628 1.397 -4.528 626 H LEU 83 HN LEU 83 88.899 5.316 -6.931 627 HA LEU 83 HA LEU 83 91.675 4.688 -7.264 628 1HB LEU 83 2HB LEU 83 89.921 6.800 -8.546 629 2HB LEU 83 3HB LEU 83 91.574 6.460 -9.059 630 HG LEU 83 HG LEU 83 89.468 4.295 -8.904 631 1HD1 LEU 83 HD12 LEU 83 89.841 6.444 -10.889 632 2HD1 LEU 83 HD11 LEU 83 89.807 4.820 -11.574 633 3HD1 LEU 83 HD13 LEU 83 88.448 5.402 -10.613 634 1HD2 LEU 83 HD21 LEU 83 92.250 4.305 -9.348 635 2HD2 LEU 83 HD23 LEU 83 91.143 2.965 -9.622 636 3HD2 LEU 83 HD22 LEU 83 91.529 4.071 -10.939 637 H HIS 84 HN HIS 84 90.025 7.649 -6.140 638 HA HIS 84 HA HIS 84 92.386 9.222 -5.842 639 1HB HIS 84 2HB HIS 84 90.066 10.126 -5.773 640 2HB HIS 84 3HB HIS 84 89.841 9.361 -4.199 641 HD1 HIS 84 HD1 HIS 84 91.064 10.398 -2.175 642 HD2 HIS 84 HD2 HIS 84 91.825 12.376 -5.764 643 HE1 HIS 84 HE1 HIS 84 92.212 12.573 -1.563 644 H TYR 85 HN TYR 85 90.728 7.052 -3.559 645 HA TYR 85 HA TYR 85 92.491 7.610 -1.342 646 1HB TYR 85 2HB TYR 85 90.531 5.407 -1.974 647 2HB TYR 85 3HB TYR 85 91.535 5.351 -0.526 648 HD1 TYR 85 HD2 TYR 85 89.707 8.108 -2.321 649 HD2 TYR 85 HD1 TYR 85 90.347 5.983 1.357 650 HE1 TYR 85 HE2 TYR 85 88.160 9.659 -1.159 651 HE2 TYR 85 HE1 TYR 85 88.797 7.534 2.520 652 HH TYR 85 HH TYR 85 87.127 10.138 0.751 653 H GLN 86 HN GLN 86 92.704 5.369 -4.058 654 HA GLN 86 HA GLN 86 94.627 3.599 -2.879 655 1HB GLN 86 2HB GLN 86 94.859 2.658 -4.987 656 2HB GLN 86 3HB GLN 86 93.292 3.447 -5.164 657 1HG GLN 86 2HG GLN 86 94.746 5.504 -5.950 658 2HG GLN 86 3HG GLN 86 95.962 4.268 -6.265 659 1HE2 GLN 86 HE22 GLN 86 93.192 2.645 -8.398 660 2HE2 GLN 86 HE21 GLN 86 93.699 2.262 -6.825 661 H HIS 87 HN HIS 87 94.925 6.725 -4.463 662 HA HIS 87 HA HIS 87 97.874 6.557 -4.402 663 1HB HIS 87 2HB HIS 87 95.981 8.772 -5.266 664 2HB HIS 87 3HB HIS 87 97.738 8.857 -5.386 665 HD1 HIS 87 HD1 HIS 87 95.677 8.823 -7.851 666 HD2 HIS 87 HD2 HIS 87 97.953 5.601 -6.504 667 HE1 HIS 87 HE1 HIS 87 95.915 7.243 -9.818 668 H THR 88 HN THR 88 95.219 8.012 -2.641 669 HA THR 88 HA THR 88 97.086 9.576 -0.957 670 HB THR 88 HB THR 88 94.792 10.251 0.077 671 HG1 THR 88 HG1 THR 88 93.055 9.783 -1.129 672 1HG2 THR 88 HG23 THR 88 96.215 11.066 -2.314 673 2HG2 THR 88 HG22 THR 88 94.493 11.404 -2.463 674 3HG2 THR 88 HG21 THR 88 95.407 12.070 -1.111 675 H SER 89 HN SER 89 97.466 9.113 1.160 676 HA SER 89 HA SER 89 96.898 6.395 2.041 677 1HB SER 89 2HB SER 89 98.411 6.860 3.816 678 2HB SER 89 3HB SER 89 99.054 7.702 2.406 679 HG SER 89 HG SER 89 97.348 9.334 3.570 680 H LEU 90 HN LEU 90 95.463 5.781 3.652 681 HA LEU 90 HA LEU 90 93.258 7.536 4.183 682 1HB LEU 90 2HB LEU 90 94.061 4.831 5.239 683 2HB LEU 90 3HB LEU 90 92.665 5.685 5.898 684 HG LEU 90 HG LEU 90 91.893 5.971 3.467 685 1HD1 LEU 90 HD13 LEU 90 93.949 3.769 3.106 686 2HD1 LEU 90 HD12 LEU 90 92.770 4.272 1.896 687 3HD1 LEU 90 HD11 LEU 90 94.036 5.383 2.405 688 1HD2 LEU 90 HD22 LEU 90 91.927 3.452 5.075 689 2HD2 LEU 90 HD21 LEU 90 90.565 4.466 4.606 690 3HD2 LEU 90 HD23 LEU 90 91.290 3.366 3.433 691 H VAL 91 HN VAL 91 96.251 6.924 5.934 692 HA VAL 91 HA VAL 91 96.437 7.447 8.430 693 HB VAL 91 HB VAL 91 96.983 9.800 6.576 694 1HG1 VAL 91 HG12 VAL 91 97.967 9.195 9.386 695 2HG1 VAL 91 HG11 VAL 91 98.598 10.480 8.354 696 3HG1 VAL 91 HG13 VAL 91 96.924 10.532 8.901 697 1HG2 VAL 91 HG22 VAL 91 98.603 7.408 7.473 698 2HG2 VAL 91 HG21 VAL 91 98.255 7.933 5.825 699 3HG2 VAL 91 HG23 VAL 91 99.364 8.864 6.830 700 H GLN 92 HN GLN 92 95.094 10.269 6.728 701 HA GLN 92 HA GLN 92 93.692 11.965 7.594 702 1HB GLN 92 2HB GLN 92 92.138 9.383 7.840 703 2HB GLN 92 3HB GLN 92 91.405 10.976 8.013 704 1HG GLN 92 2HG GLN 92 93.047 10.209 5.592 705 2HG GLN 92 3HG GLN 92 91.298 9.965 5.666 706 1HE2 GLN 92 HE22 GLN 92 91.457 13.292 4.218 707 2HE2 GLN 92 HE21 GLN 92 91.527 11.659 3.761 708 H HIS 93 HN HIS 93 91.652 10.522 9.661 709 HA HIS 93 HA HIS 93 92.722 11.913 11.957 710 1HB HIS 93 2HB HIS 93 90.794 10.944 13.153 711 2HB HIS 93 3HB HIS 93 90.298 11.609 11.597 712 HD1 HIS 93 HD1 HIS 93 90.591 8.406 13.473 713 HD2 HIS 93 HD2 HIS 93 89.725 9.640 9.585 714 HE1 HIS 93 HE1 HIS 93 89.589 6.402 12.289 715 H ASN 94 HN ASN 94 93.082 10.778 14.076 716 HA ASN 94 HA ASN 94 94.324 9.276 15.368 717 1HB ASN 94 2HB ASN 94 93.511 7.302 13.196 718 2HB ASN 94 3HB ASN 94 94.212 6.878 14.758 719 1HD2 ASN 94 HD22 ASN 94 91.039 8.655 16.115 720 2HD2 ASN 94 HD21 ASN 94 92.590 9.308 15.883 721 H ASP 95 HN ASP 95 95.130 10.430 12.458 722 HA ASP 95 HA ASP 95 97.047 10.274 11.062 723 1HB ASP 95 2HB ASP 95 98.104 10.558 13.887 724 2HB ASP 95 3HB ASP 95 99.099 10.775 12.448 725 H SER 96 HN SER 96 96.028 7.600 11.978 726 HA SER 96 HA SER 96 98.645 6.194 11.771 727 1HB SER 96 2HB SER 96 97.755 4.425 13.260 728 2HB SER 96 3HB SER 96 97.814 5.988 14.070 729 HG SER 96 HG SER 96 95.801 5.214 14.454 730 H LEU 97 HN LEU 97 95.859 6.735 10.110 731 HA LEU 97 HA LEU 97 95.430 3.952 9.239 732 1HB LEU 97 2HB LEU 97 94.313 6.582 8.208 733 2HB LEU 97 3HB LEU 97 93.847 4.990 7.605 734 HG LEU 97 HG LEU 97 93.639 5.774 10.518 735 1HD1 LEU 97 HD12 LEU 97 92.148 6.965 8.595 736 2HD1 LEU 97 HD11 LEU 97 91.189 5.510 8.863 737 3HD1 LEU 97 HD13 LEU 97 91.529 6.602 10.205 738 1HD2 LEU 97 HD22 LEU 97 93.111 3.363 8.907 739 2HD2 LEU 97 HD21 LEU 97 93.391 3.517 10.640 740 3HD2 LEU 97 HD23 LEU 97 91.784 3.817 9.977 741 H ASN 98 HN ASN 98 98.004 4.303 8.902 742 HA ASN 98 HA ASN 98 98.671 5.537 6.350 743 1HB ASN 98 2HB ASN 98 100.270 5.433 8.243 744 2HB ASN 98 3HB ASN 98 100.313 3.675 8.091 745 1HD2 ASN 98 HD22 ASN 98 101.524 5.122 4.534 746 2HD2 ASN 98 HD21 ASN 98 99.913 5.221 5.061 747 H VAL 99 HN VAL 99 97.375 4.484 4.861 748 HA VAL 99 HA VAL 99 98.465 2.072 3.725 749 HB VAL 99 HB VAL 99 97.227 0.974 5.500 750 1HG1 VAL 99 HG11 VAL 99 95.222 3.032 4.752 751 2HG1 VAL 99 HG13 VAL 99 94.576 1.451 5.193 752 3HG1 VAL 99 HG12 VAL 99 95.589 2.341 6.329 753 1HG2 VAL 99 HG22 VAL 99 97.131 0.003 3.193 754 2HG2 VAL 99 HG21 VAL 99 95.702 -0.386 4.152 755 3HG2 VAL 99 HG23 VAL 99 95.623 0.878 2.925 756 H THR 100 HN THR 100 97.327 1.550 1.690 757 HA THR 100 HA THR 100 95.569 3.799 0.785 758 HB THR 100 HB THR 100 96.727 3.762 -1.367 759 HG1 THR 100 HG1 THR 100 98.731 2.098 -0.450 760 1HG2 THR 100 HG23 THR 100 98.363 4.031 1.139 761 2HG2 THR 100 HG22 THR 100 99.131 4.247 -0.434 762 3HG2 THR 100 HG21 THR 100 97.793 5.291 0.043 763 H LEU 101 HN LEU 101 93.975 3.204 -0.825 764 HA LEU 101 HA LEU 101 93.197 0.362 -0.670 765 1HB LEU 101 2HB LEU 101 91.867 2.578 -2.257 766 2HB LEU 101 3HB LEU 101 91.144 1.054 -1.736 767 HG LEU 101 HG LEU 101 92.062 3.321 0.053 768 1HD1 LEU 101 HD11 LEU 101 89.719 3.089 -1.344 769 2HD1 LEU 101 HD13 LEU 101 89.299 2.302 0.175 770 3HD1 LEU 101 HD12 LEU 101 89.885 3.963 0.179 771 1HD2 LEU 101 HD21 LEU 101 91.464 0.481 0.582 772 2HD2 LEU 101 HD23 LEU 101 92.379 1.634 1.550 773 3HD2 LEU 101 HD22 LEU 101 90.617 1.610 1.630 774 H ALA 102 HN ALA 102 95.397 -0.009 -1.861 775 HA ALA 102 HA ALA 102 95.213 0.473 -4.770 776 1HB ALA 102 HB2 ALA 102 97.316 0.751 -3.236 777 2HB ALA 102 HB1 ALA 102 97.482 -0.990 -3.466 778 3HB ALA 102 HB3 ALA 102 97.501 0.091 -4.859 779 H TYR 103 HN TYR 103 94.764 -2.255 -2.565 780 HA TYR 103 HA TYR 103 94.714 -4.009 -4.996 781 1HB TYR 103 2HB TYR 103 95.239 -4.756 -2.116 782 2HB TYR 103 3HB TYR 103 95.135 -5.891 -3.459 783 HD1 TYR 103 HD1 TYR 103 96.780 -5.632 -5.406 784 HD2 TYR 103 HD2 TYR 103 97.240 -3.584 -1.657 785 HE1 TYR 103 HE1 TYR 103 99.174 -5.243 -5.917 786 HE2 TYR 103 HE2 TYR 103 99.637 -3.192 -2.169 787 HH TYR 103 HH TYR 103 101.377 -3.956 -3.528 788 HA PRO 104 HA PRO 104 90.243 -4.059 -4.025 789 1HB PRO 104 2HB PRO 104 90.280 -6.057 -6.206 790 2HB PRO 104 3HB PRO 104 89.329 -4.577 -6.031 791 1HG PRO 104 2HG PRO 104 91.362 -4.782 -7.767 792 2HG PRO 104 3HG PRO 104 90.931 -3.260 -6.969 793 1HD PRO 104 2HD PRO 104 93.232 -5.077 -6.431 794 2HD PRO 104 3HD PRO 104 93.102 -3.316 -6.234 795 H VAL 105 HN VAL 105 89.030 -5.564 -2.826 796 HA VAL 105 HA VAL 105 90.461 -7.831 -1.734 797 HB VAL 105 HB VAL 105 88.817 -6.560 -0.401 798 1HG1 VAL 105 HG11 VAL 105 87.030 -7.390 -2.630 799 2HG1 VAL 105 HG13 VAL 105 86.334 -7.419 -1.009 800 3HG1 VAL 105 HG12 VAL 105 87.008 -5.927 -1.657 801 1HG2 VAL 105 HG21 VAL 105 88.355 -9.508 -0.886 802 2HG2 VAL 105 HG23 VAL 105 89.210 -8.728 0.445 803 3HG2 VAL 105 HG22 VAL 105 87.453 -8.631 0.352 804 H TYR 106 HN TYR 106 88.187 -7.400 -4.349 805 HA TYR 106 HA TYR 106 88.160 -10.363 -4.759 806 1HB TYR 106 2HB TYR 106 86.147 -8.221 -5.248 807 2HB TYR 106 3HB TYR 106 86.192 -9.568 -6.382 808 HD1 TYR 106 HD2 TYR 106 86.848 -9.504 -2.684 809 HD2 TYR 106 HD1 TYR 106 84.337 -10.904 -5.866 810 HE1 TYR 106 HE2 TYR 106 85.592 -10.894 -1.073 811 HE2 TYR 106 HE1 TYR 106 83.081 -12.303 -4.255 812 HH TYR 106 HH TYR 106 84.184 -13.073 -1.249 813 H ALA 107 HN ALA 107 90.260 -8.419 -5.617 814 HA ALA 107 HA ALA 107 90.022 -7.820 -8.389 815 1HB ALA 107 HB2 ALA 107 92.000 -7.591 -6.383 816 2HB ALA 107 HB1 ALA 107 92.738 -8.518 -7.688 817 3HB ALA 107 HB3 ALA 107 92.055 -6.926 -8.016 818 H GLN 108 HN GLN 108 90.128 -9.131 -10.170 819 HA GLN 108 HA GLN 108 91.076 -11.946 -9.758 820 1HB GLN 108 2HB GLN 108 88.851 -10.865 -11.520 821 2HB GLN 108 3HB GLN 108 89.456 -12.521 -11.609 822 1HG GLN 108 2HG GLN 108 88.832 -12.937 -9.299 823 2HG GLN 108 3HG GLN 108 88.392 -11.246 -9.075 824 1HE2 GLN 108 HE22 GLN 108 85.326 -13.353 -9.883 825 2HE2 GLN 108 HE21 GLN 108 86.576 -13.570 -8.756 826 H GLN 109 HN GLN 109 92.389 -12.824 -11.452 827 HA GLN 109 HA GLN 109 93.575 -10.742 -13.214 828 1HB GLN 109 2HB GLN 109 94.528 -13.526 -12.488 829 2HB GLN 109 3HB GLN 109 95.390 -12.424 -13.564 830 1HG GLN 109 2HG GLN 109 94.700 -11.903 -10.656 831 2HG GLN 109 3HG GLN 109 96.307 -12.259 -11.294 832 1HE2 GLN 109 HE22 GLN 109 96.466 -9.020 -13.025 833 2HE2 GLN 109 HE21 GLN 109 96.755 -10.655 -13.372 834 H ARG 110 HN ARG 110 93.332 -10.825 -15.418 835 HA ARG 110 HA ARG 110 91.303 -12.504 -16.555 836 1HB ARG 110 2HB ARG 110 91.898 -10.291 -17.479 837 2HB ARG 110 3HB ARG 110 93.472 -10.925 -17.967 838 1HG ARG 110 2HG ARG 110 92.294 -12.655 -19.337 839 2HG ARG 110 3HG ARG 110 90.762 -11.872 -18.942 840 1HD ARG 110 2HD ARG 110 93.095 -10.477 -20.289 841 2HD ARG 110 3HD ARG 110 91.702 -11.136 -21.144 842 HE ARG 110 HE ARG 110 90.572 -9.482 -19.237 843 1HH1 ARG 110 HH21 ARG 110 93.058 -9.152 -21.605 844 2HH1 ARG 110 HH22 ARG 110 92.673 -7.502 -21.965 845 1HH2 ARG 110 HH11 ARG 110 90.055 -7.340 -19.689 846 2HH2 ARG 110 HH12 ARG 110 90.965 -6.478 -20.885 847 H ARG 111 HN ARG 111 94.858 -12.688 -16.598 848 HA ARG 111 HA ARG 111 96.282 -14.411 -17.322 849 1HB ARG 111 2HB ARG 111 95.113 -15.635 -15.517 850 2HB ARG 111 3HB ARG 111 93.858 -16.110 -16.665 851 1HG ARG 111 2HG ARG 111 95.629 -17.195 -18.069 852 2HG ARG 111 3HG ARG 111 96.798 -16.839 -16.797 853 1HD ARG 111 2HD ARG 111 95.502 -18.178 -15.202 854 2HD ARG 111 3HD ARG 111 94.284 -18.493 -16.437 855 HE ARG 111 HE ARG 111 96.662 -19.381 -17.576 856 1HH1 ARG 111 HH21 ARG 111 94.866 -19.945 -14.687 857 2HH1 ARG 111 HH22 ARG 111 95.449 -21.564 -14.483 858 1HH2 ARG 111 HH11 ARG 111 97.423 -21.498 -17.327 859 2HH2 ARG 111 HH12 ARG 111 96.883 -22.445 -15.980 No H/Q in entry = 859 Start of MODEL 23 1 1H GLU 1 HT1 GLU 1 91.002 1.265 -17.866 2 2H GLU 1 HT3 GLU 1 92.518 1.953 -18.179 3 3H GLU 1 HT2 GLU 1 91.178 2.394 -19.124 4 HA GLU 1 HA GLU 1 91.496 0.718 -20.520 5 1HB GLU 1 2HB GLU 1 93.914 0.260 -18.742 6 2HB GLU 1 3HB GLU 1 93.693 -0.472 -20.334 7 1HG GLU 1 2HG GLU 1 94.961 1.428 -20.844 8 2HG GLU 1 3HG GLU 1 93.314 1.999 -21.122 9 H ASP 2 HN ASP 2 93.145 -1.305 -18.272 10 HA ASP 2 HA ASP 2 90.705 -3.013 -18.066 11 1HB ASP 2 2HB ASP 2 92.656 -3.918 -19.414 12 2HB ASP 2 3HB ASP 2 93.584 -3.942 -17.909 13 H LEU 3 HN LEU 3 91.450 -0.862 -16.223 14 HA LEU 3 HA LEU 3 92.662 -1.971 -13.831 15 1HB LEU 3 2HB LEU 3 90.905 0.457 -14.288 16 2HB LEU 3 3HB LEU 3 91.602 0.052 -12.722 17 HG LEU 3 HG LEU 3 93.027 1.674 -13.861 18 1HD1 LEU 3 HD13 LEU 3 93.900 -0.581 -12.662 19 2HD1 LEU 3 HD12 LEU 3 94.620 -0.801 -14.258 20 3HD1 LEU 3 HD11 LEU 3 94.994 0.641 -13.312 21 1HD2 LEU 3 HD21 LEU 3 92.218 0.635 -16.184 22 2HD2 LEU 3 HD23 LEU 3 93.761 1.477 -16.044 23 3HD2 LEU 3 HD22 LEU 3 93.712 -0.286 -16.010 24 HA PRO 4 HA PRO 4 89.178 -4.192 -12.230 25 1HB PRO 4 2HB PRO 4 89.731 -4.061 -9.546 26 2HB PRO 4 3HB PRO 4 90.587 -5.125 -10.680 27 1HG PRO 4 2HG PRO 4 91.437 -2.518 -9.527 28 2HG PRO 4 3HG PRO 4 92.391 -3.967 -9.881 29 1HD PRO 4 2HD PRO 4 92.376 -1.747 -11.495 30 2HD PRO 4 3HD PRO 4 92.708 -3.388 -12.088 31 H HIS 5 HN HIS 5 89.553 -0.916 -11.845 32 HA HIS 5 HA HIS 5 87.497 -0.371 -9.875 33 1HB HIS 5 2HB HIS 5 88.810 1.347 -11.993 34 2HB HIS 5 3HB HIS 5 87.674 1.964 -10.792 35 HD1 HIS 5 HD1 HIS 5 88.389 1.046 -8.220 36 HD2 HIS 5 HD2 HIS 5 91.414 1.571 -11.039 37 HE1 HIS 5 HE1 HIS 5 90.552 1.170 -6.925 38 H HIS 6 HN HIS 6 87.510 -1.033 -13.292 39 HA HIS 6 HA HIS 6 85.034 0.179 -14.006 40 1HB HIS 6 2HB HIS 6 86.389 -2.325 -15.060 41 2HB HIS 6 3HB HIS 6 84.965 -1.596 -15.802 42 HD1 HIS 6 HD1 HIS 6 85.339 1.082 -16.473 43 HD2 HIS 6 HD2 HIS 6 88.759 -1.260 -16.010 44 HE1 HIS 6 HE1 HIS 6 87.215 2.298 -17.673 45 H ASP 7 HN ASP 7 85.785 -2.871 -12.382 46 HA ASP 7 HA ASP 7 82.872 -3.429 -12.158 47 1HB ASP 7 2HB ASP 7 85.305 -5.201 -11.965 48 2HB ASP 7 3HB ASP 7 83.702 -5.739 -11.460 49 H GLU 8 HN GLU 8 82.008 -2.867 -10.243 50 HA GLU 8 HA GLU 8 83.564 -2.065 -7.976 51 1HB GLU 8 2HB GLU 8 80.645 -2.832 -8.231 52 2HB GLU 8 3HB GLU 8 81.356 -2.159 -6.771 53 1HG GLU 8 2HG GLU 8 81.905 -0.108 -7.855 54 2HG GLU 8 3HG GLU 8 81.532 -0.776 -9.448 55 H LYS 9 HN LYS 9 82.621 -5.162 -9.128 56 HA LYS 9 HA LYS 9 82.356 -6.639 -6.714 57 1HB LYS 9 2HB LYS 9 82.770 -8.585 -8.039 58 2HB LYS 9 3HB LYS 9 82.018 -7.431 -9.153 59 1HG LYS 9 2HG LYS 9 84.438 -6.648 -9.624 60 2HG LYS 9 3HG LYS 9 84.925 -8.168 -8.890 61 1HD LYS 9 2HD LYS 9 83.674 -9.430 -10.542 62 2HD LYS 9 3HD LYS 9 83.019 -7.936 -11.231 63 1HE LYS 9 2HE LYS 9 85.557 -7.254 -11.404 64 2HE LYS 9 3HE LYS 9 85.824 -8.996 -11.342 65 1HZ LYS 9 HZ1 LYS 9 83.725 -8.232 -13.148 66 2HZ LYS 9 HZ3 LYS 9 85.233 -7.580 -13.568 67 3HZ LYS 9 HZ2 LYS 9 85.055 -9.260 -13.403 68 H THR 10 HN THR 10 85.242 -5.671 -8.508 69 HA THR 10 HA THR 10 87.188 -7.214 -7.187 70 HB THR 10 HB THR 10 88.737 -5.295 -7.815 71 HG1 THR 10 HG1 THR 10 86.416 -4.046 -7.825 72 1HG2 THR 10 HG22 THR 10 87.422 -7.164 -9.403 73 2HG2 THR 10 HG21 THR 10 87.196 -5.644 -10.267 74 3HG2 THR 10 HG23 THR 10 88.823 -6.203 -9.880 75 H TRP 11 HN TRP 11 85.649 -4.184 -6.155 76 HA TRP 11 HA TRP 11 87.081 -4.519 -3.550 77 1HB TRP 11 2HB TRP 11 86.377 -1.899 -3.485 78 2HB TRP 11 3HB TRP 11 87.938 -2.477 -4.072 79 HD1 TRP 11 HD1 TRP 11 87.916 -3.123 -6.780 80 HE1 TRP 11 HE1 TRP 11 86.889 -1.794 -8.732 81 HE3 TRP 11 HE3 TRP 11 84.658 -0.230 -4.171 82 HZ2 TRP 11 HZ2 TRP 11 84.959 0.327 -9.096 83 HZ3 TRP 11 HZ3 TRP 11 83.252 1.448 -5.322 84 HH2 TRP 11 HH2 TRP 11 83.395 1.729 -7.779 85 H ASN 12 HN ASN 12 84.018 -3.720 -5.124 86 HA ASN 12 HA ASN 12 82.671 -3.299 -2.555 87 1HB ASN 12 2HB ASN 12 81.998 -2.133 -4.682 88 2HB ASN 12 3HB ASN 12 81.393 -3.687 -5.259 89 1HD2 ASN 12 HD22 ASN 12 78.304 -2.894 -3.749 90 2HD2 ASN 12 HD21 ASN 12 79.136 -3.288 -5.177 91 H VAL 13 HN VAL 13 81.750 -4.780 -1.344 92 HA VAL 13 HA VAL 13 80.834 -7.330 -2.549 93 HB VAL 13 HB VAL 13 81.820 -8.551 -0.590 94 1HG1 VAL 13 HG13 VAL 13 82.943 -8.111 -2.931 95 2HG1 VAL 13 HG12 VAL 13 84.055 -7.116 -1.992 96 3HG1 VAL 13 HG11 VAL 13 83.890 -8.834 -1.630 97 1HG2 VAL 13 HG21 VAL 13 82.019 -6.492 0.843 98 2HG2 VAL 13 HG23 VAL 13 83.497 -7.450 0.771 99 3HG2 VAL 13 HG22 VAL 13 83.356 -5.970 -0.180 100 H GLY 14 HN GLY 14 79.512 -4.883 -1.564 101 1HA GLY 14 2HA GLY 14 78.400 -4.586 0.828 102 2HA GLY 14 3HA GLY 14 77.326 -4.733 -0.555 103 H SER 15 HN SER 15 77.599 -7.416 -1.165 104 HA SER 15 HA SER 15 75.760 -8.682 0.528 105 1HB SER 15 2HB SER 15 76.384 -10.744 -0.570 106 2HB SER 15 3HB SER 15 76.517 -9.455 -1.765 107 HG SER 15 HG SER 15 78.711 -9.479 -1.534 108 H SER 16 HN SER 16 79.059 -8.005 1.036 109 HA SER 16 HA SER 16 79.703 -10.142 2.851 110 1HB SER 16 2HB SER 16 81.630 -8.773 3.440 111 2HB SER 16 3HB SER 16 81.389 -8.702 1.696 112 HG SER 16 HG SER 16 81.727 -6.636 2.821 113 H ASN 17 HN ASN 17 80.018 -9.889 5.162 114 HA ASN 17 HA ASN 17 78.145 -7.911 6.388 115 1HB ASN 17 2HB ASN 17 78.685 -10.787 7.191 116 2HB ASN 17 3HB ASN 17 77.719 -9.653 8.138 117 1HD2 ASN 17 HD22 ASN 17 75.863 -11.672 5.297 118 2HD2 ASN 17 HD21 ASN 17 77.300 -12.152 6.067 119 H ARG 18 HN ARG 18 78.787 -7.441 8.744 120 HA ARG 18 HA ARG 18 81.518 -6.651 8.850 121 1HB ARG 18 2HB ARG 18 79.463 -7.043 11.039 122 2HB ARG 18 3HB ARG 18 81.070 -6.373 11.334 123 1HG ARG 18 2HG ARG 18 80.549 -4.719 9.440 124 2HG ARG 18 3HG ARG 18 78.872 -5.238 9.605 125 1HD ARG 18 2HD ARG 18 79.225 -3.268 10.989 126 2HD ARG 18 3HD ARG 18 78.968 -4.667 12.029 127 HE ARG 18 HE ARG 18 81.740 -4.511 11.706 128 1HH1 ARG 18 HH21 ARG 18 79.179 -2.438 12.699 129 2HH1 ARG 18 HH22 ARG 18 80.149 -1.551 13.825 130 1HH2 ARG 18 HH11 ARG 18 83.026 -3.369 13.184 131 2HH2 ARG 18 HH12 ARG 18 82.324 -2.077 14.101 132 H ASN 19 HN ASN 19 79.882 -9.515 10.242 133 HA ASN 19 HA ASN 19 82.233 -10.566 11.519 134 1HB ASN 19 2HB ASN 19 79.784 -11.991 10.434 135 2HB ASN 19 3HB ASN 19 81.014 -12.749 11.440 136 1HD2 ASN 19 HD22 ASN 19 78.081 -11.214 13.439 137 2HD2 ASN 19 HD21 ASN 19 78.039 -12.026 11.948 138 H LYS 20 HN LYS 20 80.805 -11.049 8.312 139 HA LYS 20 HA LYS 20 82.814 -12.929 7.437 140 1HB LYS 20 2HB LYS 20 80.577 -12.676 6.335 141 2HB LYS 20 3HB LYS 20 81.091 -11.099 5.733 142 1HG LYS 20 2HG LYS 20 82.941 -12.117 4.513 143 2HG LYS 20 3HG LYS 20 82.551 -13.698 5.184 144 1HD LYS 20 2HD LYS 20 80.505 -12.144 3.602 145 2HD LYS 20 3HD LYS 20 81.703 -13.155 2.792 146 1HE LYS 20 2HE LYS 20 79.724 -14.068 4.901 147 2HE LYS 20 3HE LYS 20 79.671 -14.459 3.182 148 1HZ LYS 20 HZ2 LYS 20 82.170 -15.186 3.876 149 2HZ LYS 20 HZ1 LYS 20 81.291 -15.589 5.273 150 3HZ LYS 20 HZ3 LYS 20 80.843 -16.243 3.774 151 H ALA 21 HN ALA 21 82.449 -9.432 7.372 152 HA ALA 21 HA ALA 21 84.554 -8.745 5.626 153 1HB ALA 21 HB3 ALA 21 82.866 -7.184 6.760 154 2HB ALA 21 HB2 ALA 21 83.912 -7.245 8.178 155 3HB ALA 21 HB1 ALA 21 84.522 -6.584 6.665 156 H GLU 22 HN GLU 22 84.670 -9.451 9.142 157 HA GLU 22 HA GLU 22 87.444 -8.964 9.526 158 1HB GLU 22 2HB GLU 22 85.833 -9.446 11.372 159 2HB GLU 22 3HB GLU 22 85.760 -11.123 10.831 160 1HG GLU 22 2HG GLU 22 88.132 -11.420 11.245 161 2HG GLU 22 3HG GLU 22 88.318 -9.711 11.638 162 H ASN 23 HN ASN 23 85.735 -11.954 8.594 163 HA ASN 23 HA ASN 23 88.050 -13.585 8.332 164 1HB ASN 23 2HB ASN 23 85.366 -13.668 6.938 165 2HB ASN 23 3HB ASN 23 86.607 -14.894 6.694 166 1HD2 ASN 23 HD22 ASN 23 86.283 -16.222 10.033 167 2HD2 ASN 23 HD21 ASN 23 87.414 -15.984 8.789 168 H LEU 24 HN LEU 24 86.358 -11.499 6.008 169 HA LEU 24 HA LEU 24 88.130 -12.050 3.806 170 1HB LEU 24 2HB LEU 24 86.288 -9.713 4.402 171 2HB LEU 24 3HB LEU 24 87.170 -9.891 2.885 172 HG LEU 24 HG LEU 24 85.281 -11.980 4.003 173 1HD1 LEU 24 HD13 LEU 24 84.294 -9.693 3.235 174 2HD1 LEU 24 HD12 LEU 24 84.731 -10.227 1.611 175 3HD1 LEU 24 HD11 LEU 24 83.593 -11.171 2.573 176 1HD2 LEU 24 HD22 LEU 24 87.173 -11.843 1.762 177 2HD2 LEU 24 HD21 LEU 24 86.405 -13.250 2.499 178 3HD2 LEU 24 HD23 LEU 24 85.548 -12.321 1.270 179 H LEU 25 HN LEU 25 88.251 -9.903 6.571 180 HA LEU 25 HA LEU 25 90.594 -8.461 5.447 181 1HB LEU 25 2HB LEU 25 89.139 -8.124 8.092 182 2HB LEU 25 3HB LEU 25 90.467 -7.114 7.525 183 HG LEU 25 HG LEU 25 88.100 -7.455 5.726 184 1HD1 LEU 25 HD13 LEU 25 87.349 -6.863 8.156 185 2HD1 LEU 25 HD12 LEU 25 88.104 -5.302 7.834 186 3HD1 LEU 25 HD11 LEU 25 86.770 -5.861 6.826 187 1HD2 LEU 25 HD22 LEU 25 90.226 -6.229 5.126 188 2HD2 LEU 25 HD21 LEU 25 88.766 -5.255 4.988 189 3HD2 LEU 25 HD23 LEU 25 89.829 -5.050 6.383 190 H ARG 26 HN ARG 26 89.992 -11.275 7.126 191 HA ARG 26 HA ARG 26 92.430 -11.153 8.786 192 1HB ARG 26 2HB ARG 26 90.973 -12.320 10.091 193 2HB ARG 26 3HB ARG 26 89.919 -12.662 8.730 194 1HG ARG 26 2HG ARG 26 90.810 -14.725 9.662 195 2HG ARG 26 3HG ARG 26 91.399 -14.485 8.020 196 1HD ARG 26 2HD ARG 26 93.350 -13.221 9.438 197 2HD ARG 26 3HD ARG 26 92.884 -14.467 10.593 198 HE ARG 26 HE ARG 26 94.548 -14.951 8.400 199 1HH1 ARG 26 HH21 ARG 26 91.510 -16.094 9.579 200 2HH1 ARG 26 HH22 ARG 26 91.576 -17.578 8.698 201 1HH2 ARG 26 HH11 ARG 26 94.646 -16.916 7.262 202 2HH2 ARG 26 HH12 ARG 26 93.344 -18.048 7.411 203 H GLY 27 HN GLY 27 94.324 -11.891 7.968 204 1HA GLY 27 2HA GLY 27 95.732 -13.457 6.831 205 2HA GLY 27 3HA GLY 27 94.301 -14.146 6.064 206 H LYS 28 HN LYS 28 94.094 -10.816 5.819 207 HA LYS 28 HA LYS 28 95.074 -10.947 3.016 208 1HB LYS 28 2HB LYS 28 93.187 -9.057 4.436 209 2HB LYS 28 3HB LYS 28 93.799 -8.744 2.811 210 1HG LYS 28 2HG LYS 28 92.268 -11.214 3.676 211 2HG LYS 28 3HG LYS 28 91.620 -9.884 2.719 212 1HD LYS 28 2HD LYS 28 93.834 -10.491 1.266 213 2HD LYS 28 3HD LYS 28 93.418 -12.083 1.905 214 1HE LYS 28 2HE LYS 28 91.479 -10.235 0.487 215 2HE LYS 28 3HE LYS 28 92.292 -11.604 -0.268 216 1HZ LYS 28 HZ1 LYS 28 90.925 -12.190 2.217 217 2HZ LYS 28 HZ3 LYS 28 89.913 -11.760 0.927 218 3HZ LYS 28 HZ2 LYS 28 90.976 -13.075 0.769 219 H ARG 29 HN ARG 29 96.779 -9.752 2.352 220 HA ARG 29 HA ARG 29 98.514 -8.533 4.313 221 1HB ARG 29 2HB ARG 29 98.573 -8.438 1.282 222 2HB ARG 29 3HB ARG 29 99.850 -7.809 2.321 223 1HG ARG 29 2HG ARG 29 100.301 -10.001 3.223 224 2HG ARG 29 3HG ARG 29 98.886 -10.677 2.418 225 1HD ARG 29 2HD ARG 29 100.862 -11.253 1.117 226 2HD ARG 29 3HD ARG 29 99.910 -10.072 0.215 227 HE ARG 29 HE ARG 29 101.677 -8.477 1.569 228 1HH1 ARG 29 HH21 ARG 29 101.960 -11.358 -0.304 229 2HH1 ARG 29 HH22 ARG 29 103.504 -10.938 -0.966 230 1HH2 ARG 29 HH11 ARG 29 103.699 -7.907 0.696 231 2HH2 ARG 29 HH12 ARG 29 104.485 -8.997 -0.402 232 H ASP 30 HN ASP 30 99.212 -6.266 4.263 233 HA ASP 30 HA ASP 30 97.050 -4.434 4.442 234 1HB ASP 30 2HB ASP 30 100.025 -3.987 4.156 235 2HB ASP 30 3HB ASP 30 98.869 -2.691 4.480 236 H GLY 31 HN GLY 31 96.359 -2.789 3.066 237 1HA GLY 31 2HA GLY 31 96.459 -1.517 0.987 238 2HA GLY 31 3HA GLY 31 97.441 -2.809 0.290 239 H THR 32 HN THR 32 95.545 -4.826 1.593 240 HA THR 32 HA THR 32 93.693 -4.961 -0.670 241 HB THR 32 HB THR 32 93.883 -6.755 1.767 242 HG1 THR 32 HG1 THR 32 95.452 -7.732 0.771 243 1HG2 THR 32 HG23 THR 32 92.280 -6.750 -0.736 244 2HG2 THR 32 HG22 THR 32 92.904 -8.307 -0.189 245 3HG2 THR 32 HG21 THR 32 91.864 -7.352 0.870 246 H PHE 33 HN PHE 33 91.860 -3.747 -0.615 247 HA PHE 33 HA PHE 33 90.423 -3.641 1.986 248 1HB PHE 33 2HB PHE 33 90.394 -1.374 2.052 249 2HB PHE 33 3HB PHE 33 91.718 -1.449 0.892 250 HD1 PHE 33 HD2 PHE 33 88.142 -0.927 1.387 251 HD2 PHE 33 HD1 PHE 33 91.300 -1.047 -1.508 252 HE1 PHE 33 HE2 PHE 33 86.655 0.122 -0.286 253 HE2 PHE 33 HE1 PHE 33 89.800 0.017 -3.177 254 HZ PHE 33 HZ PHE 33 87.465 0.576 -2.552 255 H LEU 34 HN LEU 34 88.105 -2.859 1.637 256 HA LEU 34 HA LEU 34 87.020 -3.593 -1.028 257 1HB LEU 34 2HB LEU 34 85.423 -5.191 -0.032 258 2HB LEU 34 3HB LEU 34 87.086 -5.698 0.253 259 HG LEU 34 HG LEU 34 86.596 -4.067 2.414 260 1HD1 LEU 34 HD11 LEU 34 84.157 -4.113 1.627 261 2HD1 LEU 34 HD13 LEU 34 84.157 -5.820 2.074 262 3HD1 LEU 34 HD12 LEU 34 84.447 -4.585 3.302 263 1HD2 LEU 34 HD23 LEU 34 86.254 -7.068 2.128 264 2HD2 LEU 34 HD22 LEU 34 87.757 -6.213 2.480 265 3HD2 LEU 34 HD21 LEU 34 86.451 -6.225 3.665 266 H VAL 35 HN VAL 35 84.758 -2.937 -1.287 267 HA VAL 35 HA VAL 35 84.049 -0.734 0.582 268 HB VAL 35 HB VAL 35 83.273 -1.248 -2.304 269 1HG1 VAL 35 HG12 VAL 35 81.850 0.206 -0.193 270 2HG1 VAL 35 HG11 VAL 35 82.251 1.228 -1.572 271 3HG1 VAL 35 HG13 VAL 35 81.303 -0.240 -1.810 272 1HG2 VAL 35 HG21 VAL 35 84.758 0.933 -0.833 273 2HG2 VAL 35 HG23 VAL 35 85.405 -0.149 -2.066 274 3HG2 VAL 35 HG22 VAL 35 84.223 1.092 -2.500 275 H ARG 36 HN ARG 36 82.310 -1.009 1.883 276 HA ARG 36 HA ARG 36 80.210 -2.955 1.107 277 1HB ARG 36 2HB ARG 36 80.282 -4.065 3.282 278 2HB ARG 36 3HB ARG 36 81.863 -4.192 2.515 279 1HG ARG 36 2HG ARG 36 82.650 -2.250 3.845 280 2HG ARG 36 3HG ARG 36 81.074 -2.167 4.637 281 1HD ARG 36 2HD ARG 36 81.810 -4.835 4.925 282 2HD ARG 36 3HD ARG 36 83.327 -3.966 5.160 283 HE ARG 36 HE ARG 36 81.365 -4.184 7.135 284 1HH1 ARG 36 HH21 ARG 36 82.830 -1.616 5.357 285 2HH1 ARG 36 HH22 ARG 36 82.569 -0.442 6.601 286 1HH2 ARG 36 HH11 ARG 36 81.032 -2.643 8.761 287 2HH2 ARG 36 HH12 ARG 36 81.553 -1.011 8.504 288 H GLU 37 HN GLU 37 78.351 -2.776 2.896 289 HA GLU 37 HA GLU 37 78.095 0.134 3.473 290 1HB GLU 37 2HB GLU 37 76.283 -0.481 2.080 291 2HB GLU 37 3HB GLU 37 76.093 -2.043 2.876 292 1HG GLU 37 2HG GLU 37 75.057 -1.099 4.758 293 2HG GLU 37 3HG GLU 37 75.678 0.509 4.412 294 H SER 38 HN SER 38 76.888 0.609 5.555 295 HA SER 38 HA SER 38 78.074 -0.995 7.693 296 1HB SER 38 2HB SER 38 76.003 1.220 7.811 297 2HB SER 38 3HB SER 38 76.873 0.559 9.193 298 HG SER 38 HG SER 38 78.798 1.148 7.739 299 H SER 39 HN SER 39 76.284 -2.209 5.780 300 HA SER 39 HA SER 39 74.694 -3.865 5.708 301 1HB SER 39 2HB SER 39 74.751 -3.542 8.734 302 2HB SER 39 3HB SER 39 73.901 -4.821 7.884 303 HG SER 39 HG SER 39 76.127 -5.058 6.836 304 H LYS 40 HN LYS 40 74.201 -0.786 6.994 305 HA LYS 40 HA LYS 40 71.261 -1.035 7.191 306 1HB LYS 40 2HB LYS 40 72.533 0.362 8.817 307 2HB LYS 40 3HB LYS 40 73.029 1.409 7.481 308 1HG LYS 40 2HG LYS 40 70.710 1.954 6.989 309 2HG LYS 40 3HG LYS 40 70.152 0.833 8.230 310 1HD LYS 40 2HD LYS 40 70.823 2.200 9.971 311 2HD LYS 40 3HD LYS 40 72.099 2.958 9.021 312 1HE LYS 40 2HE LYS 40 70.447 4.229 7.744 313 2HE LYS 40 3HE LYS 40 69.131 3.410 8.585 314 1HZ LYS 40 HZ2 LYS 40 71.052 4.593 10.360 315 2HZ LYS 40 HZ1 LYS 40 70.288 5.736 9.361 316 3HZ LYS 40 HZ3 LYS 40 69.361 4.722 10.354 317 H GLN 41 HN GLN 41 70.037 -0.778 5.375 318 HA GLN 41 HA GLN 41 70.959 -0.208 2.815 319 1HB GLN 41 2HB GLN 41 68.643 -0.995 3.431 320 2HB GLN 41 3HB GLN 41 68.249 0.674 3.844 321 1HG GLN 41 2HG GLN 41 67.526 0.347 1.585 322 2HG GLN 41 3HG GLN 41 69.009 1.305 1.496 323 1HE2 GLN 41 HE22 GLN 41 69.410 -1.448 -0.944 324 2HE2 GLN 41 HE21 GLN 41 68.446 -0.059 -0.784 325 H GLY 42 HN GLY 42 71.782 1.560 1.854 326 1HA GLY 42 2HA GLY 42 71.832 3.855 1.222 327 2HA GLY 42 3HA GLY 42 70.848 4.252 2.626 328 H CYS 43 HN CYS 43 73.363 2.250 3.613 329 HA CYS 43 HA CYS 43 75.007 4.637 4.355 330 1HB CYS 43 2HB CYS 43 74.031 3.463 6.309 331 2HB CYS 43 3HB CYS 43 74.806 1.965 5.793 332 HG CYS 43 HG CYS 43 77.082 2.889 6.454 333 H TYR 44 HN TYR 44 77.330 4.383 4.159 334 HA TYR 44 HA TYR 44 78.162 2.032 2.511 335 1HB TYR 44 2HB TYR 44 78.823 4.961 2.080 336 2HB TYR 44 3HB TYR 44 79.672 3.648 1.262 337 HD1 TYR 44 HD1 TYR 44 78.505 2.230 -0.394 338 HD2 TYR 44 HD2 TYR 44 76.524 5.510 1.547 339 HE1 TYR 44 HE1 TYR 44 76.670 2.116 -2.066 340 HE2 TYR 44 HE2 TYR 44 74.697 5.397 -0.120 341 HH TYR 44 HH TYR 44 74.067 4.535 -2.090 342 H ALA 45 HN ALA 45 80.415 1.391 2.800 343 HA ALA 45 HA ALA 45 82.117 2.866 4.635 344 1HB ALA 45 HB3 ALA 45 80.615 1.762 6.270 345 2HB ALA 45 HB2 ALA 45 81.033 0.194 5.575 346 3HB ALA 45 HB1 ALA 45 82.265 1.157 6.389 347 H CYS 46 HN CYS 46 84.216 2.378 4.197 348 HA CYS 46 HA CYS 46 84.704 0.018 2.442 349 1HB CYS 46 2HB CYS 46 86.415 2.498 2.793 350 2HB CYS 46 3HB CYS 46 86.671 1.210 1.613 351 HG CYS 46 HG CYS 46 84.357 1.910 0.502 352 H SER 47 HN SER 47 85.971 -1.586 3.227 353 HA SER 47 HA SER 47 87.295 -1.059 5.848 354 1HB SER 47 2HB SER 47 85.537 -2.807 5.832 355 2HB SER 47 3HB SER 47 86.453 -3.701 4.625 356 HG SER 47 HG SER 47 87.100 -3.138 7.319 357 H VAL 48 HN VAL 48 89.486 -1.303 6.035 358 HA VAL 48 HA VAL 48 90.931 -2.555 3.750 359 HB VAL 48 HB VAL 48 90.949 -0.026 3.653 360 1HG1 VAL 48 HG13 VAL 48 91.050 0.269 6.140 361 2HG1 VAL 48 HG12 VAL 48 92.699 -0.353 6.104 362 3HG1 VAL 48 HG11 VAL 48 92.313 1.163 5.289 363 1HG2 VAL 48 HG21 VAL 48 92.778 -1.707 2.831 364 2HG2 VAL 48 HG23 VAL 48 93.163 0.015 2.891 365 3HG2 VAL 48 HG22 VAL 48 93.718 -1.059 4.174 366 H VAL 49 HN VAL 49 93.248 -3.001 4.352 367 HA VAL 49 HA VAL 49 93.438 -3.723 7.253 368 HB VAL 49 HB VAL 49 94.634 -5.235 4.924 369 1HG1 VAL 49 HG13 VAL 49 95.536 -5.204 7.462 370 2HG1 VAL 49 HG12 VAL 49 94.271 -6.423 7.622 371 3HG1 VAL 49 HG11 VAL 49 95.578 -6.653 6.455 372 1HG2 VAL 49 HG22 VAL 49 91.971 -5.170 5.771 373 2HG2 VAL 49 HG21 VAL 49 92.717 -6.399 4.750 374 3HG2 VAL 49 HG23 VAL 49 92.636 -6.632 6.496 375 H VAL 50 HN VAL 50 95.277 -3.010 8.291 376 HA VAL 50 HA VAL 50 97.480 -1.996 6.542 377 HB VAL 50 HB VAL 50 96.052 -0.165 7.555 378 1HG1 VAL 50 HG12 VAL 50 96.016 -1.703 9.749 379 2HG1 VAL 50 HG11 VAL 50 97.366 -0.651 10.173 380 3HG1 VAL 50 HG13 VAL 50 95.783 0.043 9.815 381 1HG2 VAL 50 HG23 VAL 50 98.778 -0.315 7.219 382 2HG2 VAL 50 HG22 VAL 50 97.899 1.159 7.633 383 3HG2 VAL 50 HG21 VAL 50 98.647 0.194 8.904 384 H ASP 51 HN ASP 51 99.586 -1.931 7.646 385 HA ASP 51 HA ASP 51 100.369 -4.333 8.830 386 1HB ASP 51 2HB ASP 51 101.617 -1.582 9.029 387 2HB ASP 51 3HB ASP 51 102.406 -3.047 9.628 388 H GLY 52 HN GLY 52 98.794 -1.696 10.254 389 1HA GLY 52 2HA GLY 52 99.563 -2.396 12.997 390 2HA GLY 52 3HA GLY 52 98.407 -1.145 12.535 391 H GLU 53 HN GLU 53 96.443 -2.297 11.233 392 HA GLU 53 HA GLU 53 95.688 -4.890 12.278 393 1HB GLU 53 2HB GLU 53 95.241 -2.652 13.969 394 2HB GLU 53 3HB GLU 53 93.665 -3.174 13.366 395 1HG GLU 53 2HG GLU 53 94.368 -5.546 13.947 396 2HG GLU 53 3HG GLU 53 95.740 -4.837 14.792 397 H VAL 54 HN VAL 54 92.953 -4.690 12.233 398 HA VAL 54 HA VAL 54 92.416 -4.123 9.363 399 HB VAL 54 HB VAL 54 90.872 -5.680 11.471 400 1HG1 VAL 54 HG13 VAL 54 90.285 -5.123 8.555 401 2HG1 VAL 54 HG12 VAL 54 89.541 -6.449 9.449 402 3HG1 VAL 54 HG11 VAL 54 89.255 -4.782 9.946 403 1HG2 VAL 54 HG22 VAL 54 92.752 -6.407 9.244 404 2HG2 VAL 54 HG21 VAL 54 92.643 -7.073 10.874 405 3HG2 VAL 54 HG23 VAL 54 91.447 -7.517 9.658 406 H LYS 55 HN LYS 55 91.313 -2.213 8.884 407 HA LYS 55 HA LYS 55 89.713 -1.008 11.117 408 1HB LYS 55 2HB LYS 55 91.368 0.312 8.964 409 2HB LYS 55 3HB LYS 55 90.165 1.190 9.911 410 1HG LYS 55 2HG LYS 55 92.082 1.536 11.180 411 2HG LYS 55 3HG LYS 55 91.403 0.110 11.959 412 1HD LYS 55 2HD LYS 55 92.869 -1.331 10.576 413 2HD LYS 55 3HD LYS 55 93.567 0.112 9.836 414 1HE LYS 55 2HE LYS 55 94.457 0.867 11.943 415 2HE LYS 55 3HE LYS 55 93.572 -0.374 12.825 416 1HZ LYS 55 HZ2 LYS 55 94.979 -1.802 11.023 417 2HZ LYS 55 HZ1 LYS 55 96.064 -0.553 11.415 418 3HZ LYS 55 HZ3 LYS 55 95.436 -1.547 12.637 419 H HIS 56 HN HIS 56 87.779 0.067 10.565 420 HA HIS 56 HA HIS 56 86.642 -0.715 7.908 421 1HB HIS 56 2HB HIS 56 85.243 -0.277 10.568 422 2HB HIS 56 3HB HIS 56 84.415 -0.582 9.041 423 HD1 HIS 56 HD1 HIS 56 85.699 -2.925 7.828 424 HD2 HIS 56 HD2 HIS 56 85.315 -2.616 11.966 425 HE1 HIS 56 HE1 HIS 56 85.834 -5.286 8.743 426 H CYS 57 HN CYS 57 86.611 1.101 6.630 427 HA CYS 57 HA CYS 57 86.378 3.774 7.874 428 1HB CYS 57 2HB CYS 57 87.971 3.327 5.967 429 2HB CYS 57 3HB CYS 57 86.571 3.030 4.934 430 HG CYS 57 HG CYS 57 87.252 5.810 6.194 431 H VAL 58 HN VAL 58 84.424 4.740 8.116 432 HA VAL 58 HA VAL 58 82.130 3.510 6.697 433 HB VAL 58 HB VAL 58 82.221 3.835 9.236 434 1HG1 VAL 58 HG12 VAL 58 83.050 6.281 8.776 435 2HG1 VAL 58 HG11 VAL 58 81.328 6.634 8.621 436 3HG1 VAL 58 HG13 VAL 58 81.962 5.972 10.127 437 1HG2 VAL 58 HG23 VAL 58 80.146 3.489 7.698 438 2HG2 VAL 58 HG22 VAL 58 79.873 4.100 9.330 439 3HG2 VAL 58 HG21 VAL 58 79.854 5.209 7.959 440 H ILE 59 HN ILE 59 81.300 4.525 4.976 441 HA ILE 59 HA ILE 59 81.681 7.477 4.743 442 HB ILE 59 HB ILE 59 81.408 5.400 2.541 443 1HG1 ILE 59 HG12 ILE 59 83.787 7.164 3.183 444 2HG1 ILE 59 HG11 ILE 59 83.628 5.523 3.815 445 1HG2 ILE 59 HG21 ILE 59 80.482 7.840 2.275 446 2HG2 ILE 59 HG23 ILE 59 82.187 8.274 2.160 447 3HG2 ILE 59 HG22 ILE 59 81.481 7.149 0.999 448 1HD1 ILE 59 HD12 ILE 59 83.379 4.690 1.470 449 2HD1 ILE 59 HD11 ILE 59 83.670 6.329 0.889 450 3HD1 ILE 59 HD13 ILE 59 84.940 5.462 1.754 451 H ASN 60 HN ASN 60 79.741 8.677 4.418 452 HA ASN 60 HA ASN 60 77.270 7.036 4.029 453 1HB ASN 60 2HB ASN 60 77.662 7.693 6.445 454 2HB ASN 60 3HB ASN 60 77.433 9.369 5.945 455 1HD2 ASN 60 HD22 ASN 60 74.025 8.545 6.819 456 2HD2 ASN 60 HD21 ASN 60 75.463 9.170 7.472 457 H LYS 61 HN LYS 61 75.609 7.996 2.842 458 HA LYS 61 HA LYS 61 76.371 10.433 1.321 459 1HB LYS 61 2HB LYS 61 75.567 8.350 0.131 460 2HB LYS 61 3HB LYS 61 73.992 8.591 0.890 461 1HG LYS 61 2HG LYS 61 73.787 10.793 -0.181 462 2HG LYS 61 3HG LYS 61 75.383 10.602 -0.908 463 1HD LYS 61 2HD LYS 61 74.563 8.554 -2.084 464 2HD LYS 61 3HD LYS 61 72.954 8.860 -1.434 465 1HE LYS 61 2HE LYS 61 74.477 10.380 -3.517 466 2HE LYS 61 3HE LYS 61 72.778 9.901 -3.500 467 1HZ LYS 61 HZ2 LYS 61 72.564 11.507 -1.563 468 2HZ LYS 61 HZ1 LYS 61 74.080 12.117 -2.033 469 3HZ LYS 61 HZ3 LYS 61 72.770 12.188 -3.109 470 H THR 62 HN THR 62 75.898 12.111 2.752 471 HA THR 62 HA THR 62 73.025 12.652 3.195 472 HB THR 62 HB THR 62 73.523 13.196 5.625 473 HG1 THR 62 HG1 THR 62 75.415 12.616 6.438 474 1HG2 THR 62 HG23 THR 62 72.460 11.033 4.717 475 2HG2 THR 62 HG22 THR 62 74.032 10.289 5.003 476 3HG2 THR 62 HG21 THR 62 73.124 10.978 6.349 477 H ALA 63 HN ALA 63 74.230 14.651 5.305 478 HA ALA 63 HA ALA 63 74.271 16.951 3.662 479 1HB ALA 63 HB2 ALA 63 75.274 16.337 6.423 480 2HB ALA 63 HB1 ALA 63 75.756 17.857 5.670 481 3HB ALA 63 HB3 ALA 63 74.049 17.495 5.915 482 H THR 64 HN THR 64 76.801 14.695 4.561 483 HA THR 64 HA THR 64 78.827 16.299 3.165 484 HB THR 64 HB THR 64 80.383 14.684 4.056 485 HG1 THR 64 HG1 THR 64 78.119 13.311 5.028 486 1HG2 THR 64 HG21 THR 64 79.529 16.441 5.579 487 2HG2 THR 64 HG23 THR 64 78.269 15.331 6.110 488 3HG2 THR 64 HG22 THR 64 79.962 14.970 6.445 489 H GLY 65 HN GLY 65 76.477 14.096 2.327 490 1HA GLY 65 2HA GLY 65 76.176 12.693 0.467 491 2HA GLY 65 3HA GLY 65 77.349 13.737 -0.332 492 H TYR 66 HN TYR 66 78.790 12.475 2.405 493 HA TYR 66 HA TYR 66 79.532 9.877 1.304 494 1HB TYR 66 2HB TYR 66 81.612 12.092 1.392 495 2HB TYR 66 3HB TYR 66 81.935 10.391 1.036 496 HD1 TYR 66 HD1 TYR 66 80.777 9.317 -0.933 497 HD2 TYR 66 HD2 TYR 66 80.844 13.559 -0.312 498 HE1 TYR 66 HE1 TYR 66 80.168 9.670 -3.309 499 HE2 TYR 66 HE2 TYR 66 80.229 13.918 -2.688 500 HH TYR 66 HH TYR 66 79.851 12.954 -4.658 501 H GLY 67 HN GLY 67 78.891 11.787 3.838 502 1HA GLY 67 2HA GLY 67 79.335 11.655 6.144 503 2HA GLY 67 3HA GLY 67 79.688 9.952 5.836 504 H PHE 68 HN PHE 68 81.864 9.317 5.463 505 HA PHE 68 HA PHE 68 83.892 10.910 6.737 506 1HB PHE 68 2HB PHE 68 84.275 8.556 6.687 507 2HB PHE 68 3HB PHE 68 83.989 8.461 4.951 508 HD1 PHE 68 HD1 PHE 68 86.098 10.824 6.973 509 HD2 PHE 68 HD2 PHE 68 85.992 7.759 3.960 510 HE1 PHE 68 HE1 PHE 68 88.524 11.142 6.555 511 HE2 PHE 68 HE2 PHE 68 88.413 8.077 3.549 512 HZ PHE 68 HZ PHE 68 89.686 9.763 4.840 513 H ALA 69 HN ALA 69 84.719 12.749 5.884 514 HA ALA 69 HA ALA 69 85.889 12.941 3.294 515 1HB ALA 69 HB3 ALA 69 82.987 13.609 3.500 516 2HB ALA 69 HB2 ALA 69 84.004 14.644 2.501 517 3HB ALA 69 HB1 ALA 69 83.887 12.919 2.152 518 H GLU 70 HN GLU 70 86.094 13.818 6.167 519 HA GLU 70 HA GLU 70 86.846 15.711 7.329 520 1HB GLU 70 2HB GLU 70 87.438 16.577 4.478 521 2HB GLU 70 3HB GLU 70 88.000 17.440 5.911 522 1HG GLU 70 2HG GLU 70 89.212 15.443 6.666 523 2HG GLU 70 3HG GLU 70 88.625 14.545 5.266 524 HA PRO 71 HA PRO 71 83.491 18.510 7.823 525 1HB PRO 71 2HB PRO 71 85.554 20.681 7.671 526 2HB PRO 71 3HB PRO 71 84.276 20.422 8.878 527 1HG PRO 71 2HG PRO 71 86.830 19.801 9.370 528 2HG PRO 71 3HG PRO 71 85.486 18.857 10.024 529 1HD PRO 71 2HD PRO 71 87.412 18.123 7.901 530 2HD PRO 71 3HD PRO 71 86.416 17.079 8.937 531 H TYR 72 HN TYR 72 85.773 18.929 5.220 532 HA TYR 72 HA TYR 72 83.763 20.505 3.693 533 1HB TYR 72 2HB TYR 72 86.751 20.172 3.256 534 2HB TYR 72 3HB TYR 72 85.675 21.115 2.223 535 HD1 TYR 72 HD2 TYR 72 84.488 23.106 3.141 536 HD2 TYR 72 HD1 TYR 72 87.508 21.025 5.373 537 HE1 TYR 72 HE2 TYR 72 84.674 25.035 4.684 538 HE2 TYR 72 HE1 TYR 72 87.695 22.957 6.920 539 HH TYR 72 HH TYR 72 86.216 25.999 6.240 540 H ASN 73 HN ASN 73 82.888 19.495 1.913 541 HA ASN 73 HA ASN 73 83.532 16.662 1.512 542 1HB ASN 73 2HB ASN 73 81.567 18.502 0.115 543 2HB ASN 73 3HB ASN 73 81.720 16.774 -0.214 544 1HD2 ASN 73 HD22 ASN 73 80.893 16.393 3.524 545 2HD2 ASN 73 HD21 ASN 73 82.399 16.350 2.744 546 H LEU 74 HN LEU 74 85.373 16.264 0.420 547 HA LEU 74 HA LEU 74 85.911 17.904 -2.027 548 1HB LEU 74 2HB LEU 74 87.789 16.311 -0.253 549 2HB LEU 74 3HB LEU 74 88.275 17.103 -1.753 550 HG LEU 74 HG LEU 74 86.944 18.595 0.525 551 1HD1 LEU 74 HD13 LEU 74 89.795 17.819 0.077 552 2HD1 LEU 74 HD12 LEU 74 89.466 19.442 0.689 553 3HD1 LEU 74 HD11 LEU 74 88.915 18.033 1.591 554 1HD2 LEU 74 HD21 LEU 74 88.293 19.322 -2.062 555 2HD2 LEU 74 HD23 LEU 74 86.789 19.942 -1.382 556 3HD2 LEU 74 HD22 LEU 74 88.339 20.455 -0.712 557 H TYR 75 HN TYR 75 84.499 15.076 -1.213 558 HA TYR 75 HA TYR 75 85.805 13.431 -3.318 559 1HB TYR 75 2HB TYR 75 83.499 12.686 -1.496 560 2HB TYR 75 3HB TYR 75 84.474 11.590 -2.471 561 HD1 TYR 75 HD1 TYR 75 86.942 13.725 -1.535 562 HD2 TYR 75 HD2 TYR 75 84.238 10.942 0.321 563 HE1 TYR 75 HE1 TYR 75 88.504 13.475 0.357 564 HE2 TYR 75 HE2 TYR 75 85.817 10.695 2.221 565 HH TYR 75 HH TYR 75 87.843 11.228 3.029 566 H SER 76 HN SER 76 84.892 13.109 -5.292 567 HA SER 76 HA SER 76 82.394 14.579 -5.901 568 1HB SER 76 2HB SER 76 83.026 14.207 -8.250 569 2HB SER 76 3HB SER 76 84.360 14.920 -7.348 570 HG SER 76 HG SER 76 84.810 13.006 -8.733 571 H SER 77 HN SER 77 83.700 11.249 -6.296 572 HA SER 77 HA SER 77 80.950 10.205 -6.114 573 1HB SER 77 2HB SER 77 81.073 8.993 -8.252 574 2HB SER 77 3HB SER 77 81.159 10.731 -8.513 575 HG SER 77 HG SER 77 83.598 10.127 -8.205 576 H LEU 78 HN LEU 78 80.967 7.763 -6.135 577 HA LEU 78 HA LEU 78 82.946 6.754 -4.345 578 1HB LEU 78 2HB LEU 78 80.953 5.336 -6.127 579 2HB LEU 78 3HB LEU 78 81.966 4.500 -4.949 580 HG LEU 78 HG LEU 78 80.050 6.757 -4.289 581 1HD1 LEU 78 HD11 LEU 78 79.827 3.756 -4.185 582 2HD1 LEU 78 HD13 LEU 78 78.905 4.761 -3.068 583 3HD1 LEU 78 HD12 LEU 78 78.669 4.931 -4.808 584 1HD2 LEU 78 HD23 LEU 78 82.131 5.264 -2.792 585 2HD2 LEU 78 HD22 LEU 78 81.464 6.868 -2.492 586 3HD2 LEU 78 HD21 LEU 78 80.586 5.435 -1.960 587 H LYS 79 HN LYS 79 82.612 6.318 -7.894 588 HA LYS 79 HA LYS 79 84.810 4.512 -8.177 589 1HB LYS 79 2HB LYS 79 83.111 5.053 -9.957 590 2HB LYS 79 3HB LYS 79 83.930 6.597 -10.198 591 1HG LYS 79 2HG LYS 79 85.994 5.460 -10.818 592 2HG LYS 79 3HG LYS 79 85.282 3.891 -10.434 593 1HD LYS 79 2HD LYS 79 83.448 4.967 -12.198 594 2HD LYS 79 3HD LYS 79 84.987 5.535 -12.849 595 1HE LYS 79 2HE LYS 79 85.852 3.208 -12.776 596 2HE LYS 79 3HE LYS 79 84.279 2.657 -12.196 597 1HZ LYS 79 HZ3 LYS 79 83.425 3.897 -14.282 598 2HZ LYS 79 HZ2 LYS 79 85.020 3.723 -14.837 599 3HZ LYS 79 HZ1 LYS 79 84.096 2.350 -14.453 600 H GLU 80 HN GLU 80 84.640 8.041 -8.142 601 HA GLU 80 HA GLU 80 87.468 8.408 -8.669 602 1HB GLU 80 2HB GLU 80 85.245 10.168 -7.652 603 2HB GLU 80 3HB GLU 80 86.919 10.731 -7.637 604 1HG GLU 80 2HG GLU 80 85.732 11.394 -9.702 605 2HG GLU 80 3HG GLU 80 87.095 10.325 -10.039 606 H LEU 81 HN LEU 81 85.425 8.291 -5.801 607 HA LEU 81 HA LEU 81 87.347 9.067 -3.885 608 1HB LEU 81 2HB LEU 81 84.917 8.832 -3.487 609 2HB LEU 81 3HB LEU 81 85.094 7.077 -3.569 610 HG LEU 81 HG LEU 81 87.083 7.985 -1.770 611 1HD1 LEU 81 HD13 LEU 81 84.361 9.219 -1.245 612 2HD1 LEU 81 HD12 LEU 81 85.679 9.147 -0.075 613 3HD1 LEU 81 HD11 LEU 81 85.865 10.088 -1.556 614 1HD2 LEU 81 HD21 LEU 81 84.409 6.606 -1.369 615 2HD2 LEU 81 HD23 LEU 81 85.982 5.836 -1.596 616 3HD2 LEU 81 HD22 LEU 81 85.645 6.736 -0.117 617 H VAL 82 HN VAL 82 86.476 5.761 -4.962 618 HA VAL 82 HA VAL 82 88.372 4.435 -3.306 619 HB VAL 82 HB VAL 82 86.479 3.418 -4.768 620 1HG1 VAL 82 HG12 VAL 82 87.473 4.503 -6.841 621 2HG1 VAL 82 HG11 VAL 82 88.724 3.271 -6.779 622 3HG1 VAL 82 HG13 VAL 82 87.037 2.808 -6.997 623 1HG2 VAL 82 HG22 VAL 82 88.469 2.230 -3.484 624 2HG2 VAL 82 HG21 VAL 82 87.463 1.311 -4.609 625 3HG2 VAL 82 HG23 VAL 82 89.046 1.899 -5.115 626 H LEU 83 HN LEU 83 88.664 5.727 -6.634 627 HA LEU 83 HA LEU 83 91.347 4.873 -7.088 628 1HB LEU 83 2HB LEU 83 89.839 7.269 -8.158 629 2HB LEU 83 3HB LEU 83 91.420 6.759 -8.744 630 HG LEU 83 HG LEU 83 88.957 4.995 -8.721 631 1HD1 LEU 83 HD11 LEU 83 90.299 6.584 -10.925 632 2HD1 LEU 83 HD13 LEU 83 89.123 5.304 -11.221 633 3HD1 LEU 83 HD12 LEU 83 88.642 6.758 -10.346 634 1HD2 LEU 83 HD23 LEU 83 91.836 4.646 -9.413 635 2HD2 LEU 83 HD22 LEU 83 90.688 3.489 -8.758 636 3HD2 LEU 83 HD21 LEU 83 90.659 3.875 -10.475 637 H HIS 84 HN HIS 84 90.141 7.977 -5.736 638 HA HIS 84 HA HIS 84 92.698 9.208 -5.479 639 1HB HIS 84 2HB HIS 84 90.510 10.377 -5.223 640 2HB HIS 84 3HB HIS 84 90.291 9.565 -3.675 641 HD1 HIS 84 HD1 HIS 84 92.704 11.965 -5.383 642 HD2 HIS 84 HD2 HIS 84 91.574 10.812 -1.539 643 HE1 HIS 84 HE1 HIS 84 93.855 13.561 -3.786 644 H TYR 85 HN TYR 85 90.907 7.097 -3.244 645 HA TYR 85 HA TYR 85 92.868 7.339 -1.141 646 1HB TYR 85 2HB TYR 85 90.518 5.553 -1.650 647 2HB TYR 85 3HB TYR 85 91.660 5.140 -0.374 648 HD1 TYR 85 HD2 TYR 85 89.598 7.991 -1.652 649 HD2 TYR 85 HD1 TYR 85 91.580 6.199 1.704 650 HE1 TYR 85 HE2 TYR 85 88.648 9.732 -0.169 651 HE2 TYR 85 HE1 TYR 85 90.638 7.945 3.191 652 HH TYR 85 HH TYR 85 89.120 10.768 1.977 653 H GLN 86 HN GLN 86 92.652 5.258 -3.968 654 HA GLN 86 HA GLN 86 94.439 3.206 -3.021 655 1HB GLN 86 2HB GLN 86 93.955 4.200 -5.861 656 2HB GLN 86 3HB GLN 86 94.805 2.714 -5.442 657 1HG GLN 86 2HG GLN 86 92.464 2.469 -4.019 658 2HG GLN 86 3HG GLN 86 91.929 3.266 -5.494 659 1HE2 GLN 86 HE22 GLN 86 93.778 0.369 -7.250 660 2HE2 GLN 86 HE21 GLN 86 94.307 1.954 -6.972 661 H HIS 87 HN HIS 87 94.972 6.389 -4.472 662 HA HIS 87 HA HIS 87 97.896 5.881 -4.475 663 1HB HIS 87 2HB HIS 87 96.264 8.209 -5.511 664 2HB HIS 87 3HB HIS 87 98.023 8.116 -5.593 665 HD1 HIS 87 HD1 HIS 87 98.687 5.452 -6.590 666 HD2 HIS 87 HD2 HIS 87 95.259 7.404 -7.936 667 HE1 HIS 87 HE1 HIS 87 98.063 4.368 -8.792 668 H THR 88 HN THR 88 95.484 7.471 -2.529 669 HA THR 88 HA THR 88 97.585 9.087 -1.157 670 HB THR 88 HB THR 88 94.618 9.094 -0.538 671 HG1 THR 88 HG1 THR 88 94.561 9.765 -2.562 672 1HG2 THR 88 HG23 THR 88 96.323 10.127 1.039 673 2HG2 THR 88 HG22 THR 88 96.713 11.260 -0.255 674 3HG2 THR 88 HG21 THR 88 95.091 11.237 0.439 675 H SER 89 HN SER 89 98.380 8.492 0.769 676 HA SER 89 HA SER 89 97.660 5.918 1.896 677 1HB SER 89 2HB SER 89 99.488 6.279 3.367 678 2HB SER 89 3HB SER 89 99.957 7.044 1.852 679 HG SER 89 HG SER 89 98.549 8.742 3.416 680 H LEU 90 HN LEU 90 96.346 5.501 3.612 681 HA LEU 90 HA LEU 90 94.428 7.425 4.480 682 1HB LEU 90 2HB LEU 90 95.274 4.725 5.500 683 2HB LEU 90 3HB LEU 90 94.096 5.689 6.390 684 HG LEU 90 HG LEU 90 93.451 5.698 3.571 685 1HD1 LEU 90 HD11 LEU 90 93.839 3.002 4.914 686 2HD1 LEU 90 HD13 LEU 90 92.790 3.234 3.514 687 3HD1 LEU 90 HD12 LEU 90 94.522 3.545 3.381 688 1HD2 LEU 90 HD21 LEU 90 92.089 4.645 6.069 689 2HD2 LEU 90 HD23 LEU 90 91.885 6.244 5.352 690 3HD2 LEU 90 HD22 LEU 90 91.299 4.816 4.499 691 H VAL 91 HN VAL 91 97.404 6.259 6.087 692 HA VAL 91 HA VAL 91 98.271 6.972 8.233 693 HB VAL 91 HB VAL 91 98.183 9.379 6.383 694 1HG1 VAL 91 HG13 VAL 91 98.607 9.925 8.830 695 2HG1 VAL 91 HG12 VAL 91 100.050 8.913 8.713 696 3HG1 VAL 91 HG11 VAL 91 99.910 10.367 7.726 697 1HG2 VAL 91 HG23 VAL 91 100.308 7.292 6.942 698 2HG2 VAL 91 HG22 VAL 91 99.356 7.430 5.465 699 3HG2 VAL 91 HG21 VAL 91 100.512 8.691 5.889 700 H GLN 92 HN GLN 92 96.733 10.019 7.344 701 HA GLN 92 HA GLN 92 94.949 11.176 8.346 702 1HB GLN 92 2HB GLN 92 94.115 8.653 8.580 703 2HB GLN 92 3HB GLN 92 94.439 8.964 10.287 704 1HG GLN 92 2HG GLN 92 92.973 10.908 10.249 705 2HG GLN 92 3HG GLN 92 92.719 10.717 8.514 706 1HE2 GLN 92 HE22 GLN 92 89.935 9.004 10.408 707 2HE2 GLN 92 HE21 GLN 92 90.550 10.584 10.443 708 H HIS 93 HN HIS 93 94.287 11.747 10.791 709 HA HIS 93 HA HIS 93 96.534 12.956 12.002 710 1HB HIS 93 2HB HIS 93 94.129 13.558 12.435 711 2HB HIS 93 3HB HIS 93 93.990 12.096 13.413 712 HD1 HIS 93 HD1 HIS 93 96.193 15.222 13.267 713 HD2 HIS 93 HD2 HIS 93 94.690 12.501 16.047 714 HE1 HIS 93 HE1 HIS 93 96.881 16.076 15.550 715 H ASN 94 HN ASN 94 94.987 9.811 12.659 716 HA ASN 94 HA ASN 94 96.401 9.078 14.976 717 1HB ASN 94 2HB ASN 94 94.623 7.690 13.746 718 2HB ASN 94 3HB ASN 94 95.916 7.176 12.657 719 1HD2 ASN 94 HD22 ASN 94 97.674 5.903 15.802 720 2HD2 ASN 94 HD21 ASN 94 97.963 7.266 14.831 721 H ASP 95 HN ASP 95 97.437 9.414 11.675 722 HA ASP 95 HA ASP 95 99.574 9.436 10.736 723 1HB ASP 95 2HB ASP 95 100.030 10.839 12.780 724 2HB ASP 95 3HB ASP 95 100.562 9.372 13.596 725 H SER 96 HN SER 96 98.199 6.838 11.587 726 HA SER 96 HA SER 96 100.636 5.173 11.282 727 1HB SER 96 2HB SER 96 98.410 4.641 13.277 728 2HB SER 96 3HB SER 96 99.687 3.493 12.884 729 HG SER 96 HG SER 96 99.741 5.711 14.479 730 H LEU 97 HN LEU 97 97.999 6.087 9.778 731 HA LEU 97 HA LEU 97 97.164 3.355 8.924 732 1HB LEU 97 2HB LEU 97 95.959 6.073 8.275 733 2HB LEU 97 3HB LEU 97 95.321 4.514 7.740 734 HG LEU 97 HG LEU 97 95.737 5.240 10.648 735 1HD1 LEU 97 HD11 LEU 97 93.388 5.605 8.811 736 2HD1 LEU 97 HD13 LEU 97 93.120 5.244 10.516 737 3HD1 LEU 97 HD12 LEU 97 94.013 6.690 10.053 738 1HD2 LEU 97 HD22 LEU 97 94.937 2.833 9.165 739 2HD2 LEU 97 HD21 LEU 97 95.483 2.993 10.835 740 3HD2 LEU 97 HD23 LEU 97 93.791 3.280 10.430 741 H ASN 98 HN ASN 98 99.699 3.883 8.205 742 HA ASN 98 HA ASN 98 99.869 5.263 5.651 743 1HB ASN 98 2HB ASN 98 102.182 4.481 5.632 744 2HB ASN 98 3HB ASN 98 101.776 5.109 7.228 745 1HD2 ASN 98 HD22 ASN 98 103.206 2.058 8.380 746 2HD2 ASN 98 HD21 ASN 98 103.472 3.722 8.172 747 H VAL 99 HN VAL 99 97.909 3.679 5.046 748 HA VAL 99 HA VAL 99 99.155 1.554 3.369 749 HB VAL 99 HB VAL 99 98.065 0.455 5.286 750 1HG1 VAL 99 HG11 VAL 99 96.008 2.451 4.672 751 2HG1 VAL 99 HG13 VAL 99 95.351 0.829 4.888 752 3HG1 VAL 99 HG12 VAL 99 96.305 1.572 6.170 753 1HG2 VAL 99 HG22 VAL 99 97.954 -0.483 2.914 754 2HG2 VAL 99 HG21 VAL 99 96.727 -1.084 4.032 755 3HG2 VAL 99 HG23 VAL 99 96.309 0.149 2.842 756 H THR 100 HN THR 100 97.707 1.025 1.471 757 HA THR 100 HA THR 100 95.954 3.363 0.785 758 HB THR 100 HB THR 100 96.654 3.142 -1.543 759 HG1 THR 100 HG1 THR 100 98.799 1.519 -0.905 760 1HG2 THR 100 HG23 THR 100 98.974 3.379 0.392 761 2HG2 THR 100 HG22 THR 100 98.980 3.953 -1.278 762 3HG2 THR 100 HG21 THR 100 97.892 4.684 -0.098 763 H LEU 101 HN LEU 101 94.480 2.853 -1.028 764 HA LEU 101 HA LEU 101 93.223 0.197 -0.590 765 1HB LEU 101 2HB LEU 101 92.260 2.809 -1.798 766 2HB LEU 101 3HB LEU 101 91.300 1.330 -1.803 767 HG LEU 101 HG LEU 101 91.673 1.229 0.703 768 1HD1 LEU 101 HD13 LEU 101 93.168 3.656 0.021 769 2HD1 LEU 101 HD12 LEU 101 92.035 3.885 1.355 770 3HD1 LEU 101 HD11 LEU 101 93.273 2.635 1.452 771 1HD2 LEU 101 HD22 LEU 101 89.819 2.717 -0.853 772 2HD2 LEU 101 HD21 LEU 101 89.582 2.092 0.779 773 3HD2 LEU 101 HD23 LEU 101 90.221 3.719 0.540 774 H ALA 102 HN ALA 102 95.665 0.548 -2.147 775 HA ALA 102 HA ALA 102 95.028 0.578 -4.976 776 1HB ALA 102 HB2 ALA 102 97.491 -0.135 -3.391 777 2HB ALA 102 HB1 ALA 102 97.434 -0.328 -5.144 778 3HB ALA 102 HB3 ALA 102 97.213 1.267 -4.423 779 H TYR 103 HN TYR 103 94.818 -1.962 -2.619 780 HA TYR 103 HA TYR 103 94.837 -3.939 -4.869 781 1HB TYR 103 2HB TYR 103 95.354 -4.335 -1.915 782 2HB TYR 103 3HB TYR 103 95.242 -5.647 -3.089 783 HD1 TYR 103 HD1 TYR 103 96.948 -5.961 -4.798 784 HD2 TYR 103 HD2 TYR 103 97.248 -2.773 -1.935 785 HE1 TYR 103 HE1 TYR 103 99.325 -5.631 -5.420 786 HE2 TYR 103 HE2 TYR 103 99.627 -2.439 -2.561 787 HH TYR 103 HH TYR 103 101.027 -3.901 -5.331 788 HA PRO 104 HA PRO 104 90.345 -3.980 -3.899 789 1HB PRO 104 2HB PRO 104 90.327 -5.904 -6.148 790 2HB PRO 104 3HB PRO 104 89.409 -4.403 -5.936 791 1HG PRO 104 2HG PRO 104 91.414 -4.608 -7.698 792 2HG PRO 104 3HG PRO 104 91.058 -3.101 -6.833 793 1HD PRO 104 2HD PRO 104 93.261 -5.078 -6.345 794 2HD PRO 104 3HD PRO 104 93.272 -3.306 -6.185 795 H VAL 105 HN VAL 105 89.130 -5.572 -2.782 796 HA VAL 105 HA VAL 105 90.592 -7.773 -1.671 797 HB VAL 105 HB VAL 105 88.783 -6.733 -0.457 798 1HG1 VAL 105 HG11 VAL 105 87.197 -7.583 -2.862 799 2HG1 VAL 105 HG13 VAL 105 86.396 -7.459 -1.297 800 3HG1 VAL 105 HG12 VAL 105 87.176 -6.046 -2.004 801 1HG2 VAL 105 HG21 VAL 105 89.346 -9.313 -0.424 802 2HG2 VAL 105 HG23 VAL 105 87.981 -8.679 0.499 803 3HG2 VAL 105 HG22 VAL 105 87.708 -9.456 -1.063 804 H TYR 106 HN TYR 106 88.403 -7.482 -4.424 805 HA TYR 106 HA TYR 106 89.005 -10.348 -5.040 806 1HB TYR 106 2HB TYR 106 86.455 -8.792 -5.324 807 2HB TYR 106 3HB TYR 106 86.784 -10.142 -6.408 808 HD1 TYR 106 HD1 TYR 106 87.622 -12.341 -5.276 809 HD2 TYR 106 HD2 TYR 106 85.502 -9.218 -3.228 810 HE1 TYR 106 HE1 TYR 106 86.983 -13.942 -3.495 811 HE2 TYR 106 HE2 TYR 106 84.865 -10.818 -1.446 812 HH TYR 106 HH TYR 106 85.866 -14.230 -1.599 813 H ALA 107 HN ALA 107 90.794 -8.510 -5.907 814 HA ALA 107 HA ALA 107 90.256 -7.269 -8.422 815 1HB ALA 107 HB2 ALA 107 92.297 -7.025 -6.826 816 2HB ALA 107 HB1 ALA 107 92.937 -8.426 -7.686 817 3HB ALA 107 HB3 ALA 107 92.587 -6.935 -8.564 818 H GLN 108 HN GLN 108 90.400 -8.075 -10.531 819 HA GLN 108 HA GLN 108 89.951 -10.834 -10.992 820 1HB GLN 108 2HB GLN 108 89.490 -8.943 -12.598 821 2HB GLN 108 3HB GLN 108 91.220 -8.884 -12.929 822 1HG GLN 108 2HG GLN 108 91.148 -11.274 -13.613 823 2HG GLN 108 3HG GLN 108 89.404 -11.276 -13.350 824 1HE2 GLN 108 HE22 GLN 108 90.692 -10.147 -16.897 825 2HE2 GLN 108 HE21 GLN 108 91.525 -11.153 -15.814 826 H GLN 109 HN GLN 109 91.342 -12.539 -11.232 827 HA GLN 109 HA GLN 109 94.154 -12.111 -10.546 828 1HB GLN 109 2HB GLN 109 92.620 -14.624 -11.287 829 2HB GLN 109 3HB GLN 109 94.298 -14.601 -10.747 830 1HG GLN 109 2HG GLN 109 93.398 -14.862 -8.674 831 2HG GLN 109 3HG GLN 109 93.086 -13.126 -8.780 832 1HE2 GLN 109 HE22 GLN 109 89.672 -13.915 -8.246 833 2HE2 GLN 109 HE21 GLN 109 91.045 -13.105 -7.664 834 H ARG 110 HN ARG 110 95.907 -12.465 -11.953 835 HA ARG 110 HA ARG 110 95.180 -12.712 -14.844 836 1HB ARG 110 2HB ARG 110 97.284 -10.950 -13.550 837 2HB ARG 110 3HB ARG 110 97.155 -11.217 -15.287 838 1HG ARG 110 2HG ARG 110 94.948 -10.238 -15.352 839 2HG ARG 110 3HG ARG 110 94.874 -10.159 -13.592 840 1HD ARG 110 2HD ARG 110 96.792 -8.620 -15.365 841 2HD ARG 110 3HD ARG 110 95.408 -7.953 -14.501 842 HE ARG 110 HE ARG 110 96.926 -9.166 -12.518 843 1HH1 ARG 110 HH21 ARG 110 97.444 -6.820 -14.998 844 2HH1 ARG 110 HH22 ARG 110 98.669 -5.971 -14.117 845 1HH2 ARG 110 HH11 ARG 110 98.516 -8.062 -11.358 846 2HH2 ARG 110 HH12 ARG 110 99.269 -6.667 -12.056 847 H ARG 111 HN ARG 111 96.853 -13.732 -16.174 848 HA ARG 111 HA ARG 111 98.454 -15.692 -14.597 849 1HB ARG 111 2HB ARG 111 97.514 -15.658 -17.477 850 2HB ARG 111 3HB ARG 111 98.676 -16.838 -16.870 851 1HG ARG 111 2HG ARG 111 96.997 -17.418 -15.062 852 2HG ARG 111 3HG ARG 111 95.827 -16.418 -15.923 853 1HD ARG 111 2HD ARG 111 96.231 -17.828 -17.971 854 2HD ARG 111 3HD ARG 111 97.238 -18.884 -16.984 855 HE ARG 111 HE ARG 111 94.858 -18.793 -15.590 856 1HH1 ARG 111 HH21 ARG 111 95.813 -19.409 -18.846 857 2HH1 ARG 111 HH22 ARG 111 94.532 -20.538 -19.151 858 1HH2 ARG 111 HH11 ARG 111 93.202 -20.277 -15.948 859 2HH2 ARG 111 HH12 ARG 111 93.042 -21.026 -17.503 No H/Q in entry = 859 Start of MODEL 24 1 1H GLU 1 HT2 GLU 1 96.192 -3.537 -18.429 2 2H GLU 1 HT1 GLU 1 97.097 -2.420 -19.335 3 3H GLU 1 HT3 GLU 1 97.872 -3.724 -18.582 4 HA GLU 1 HA GLU 1 97.774 -2.807 -16.507 5 1HB GLU 1 2HB GLU 1 99.027 -1.344 -18.225 6 2HB GLU 1 3HB GLU 1 97.626 -0.276 -18.150 7 1HG GLU 1 2HG GLU 1 97.913 -0.008 -15.734 8 2HG GLU 1 3HG GLU 1 99.259 -1.148 -15.743 9 H ASP 2 HN ASP 2 94.997 -3.288 -17.485 10 HA ASP 2 HA ASP 2 93.372 -0.991 -16.905 11 1HB ASP 2 2HB ASP 2 91.503 -2.564 -16.834 12 2HB ASP 2 3HB ASP 2 92.566 -2.980 -18.174 13 H LEU 3 HN LEU 3 92.180 -0.527 -14.973 14 HA LEU 3 HA LEU 3 93.491 -1.592 -12.520 15 1HB LEU 3 2HB LEU 3 91.825 0.900 -12.960 16 2HB LEU 3 3HB LEU 3 92.529 0.413 -11.417 17 HG LEU 3 HG LEU 3 94.170 0.822 -13.924 18 1HD1 LEU 3 HD13 LEU 3 92.860 2.835 -12.601 19 2HD1 LEU 3 HD12 LEU 3 94.395 2.776 -11.732 20 3HD1 LEU 3 HD11 LEU 3 94.380 3.038 -13.475 21 1HD2 LEU 3 HD21 LEU 3 94.673 -0.013 -11.137 22 2HD2 LEU 3 HD23 LEU 3 95.629 -0.311 -12.587 23 3HD2 LEU 3 HD22 LEU 3 95.774 1.226 -11.738 24 HA PRO 4 HA PRO 4 89.664 -3.919 -12.023 25 1HB PRO 4 2HB PRO 4 90.521 -4.280 -9.233 26 2HB PRO 4 3HB PRO 4 90.217 -5.497 -10.484 27 1HG PRO 4 2HG PRO 4 92.682 -4.809 -9.560 28 2HG PRO 4 3HG PRO 4 92.365 -5.530 -11.143 29 1HD PRO 4 2HD PRO 4 93.131 -2.752 -10.477 30 2HD PRO 4 3HD PRO 4 93.301 -3.642 -12.007 31 H HIS 5 HN HIS 5 90.642 -1.064 -10.464 32 HA HIS 5 HA HIS 5 88.597 -0.734 -8.500 33 1HB HIS 5 2HB HIS 5 90.015 1.321 -10.230 34 2HB HIS 5 3HB HIS 5 88.995 1.723 -8.844 35 HD1 HIS 5 HD1 HIS 5 89.795 -0.068 -6.672 36 HD2 HIS 5 HD2 HIS 5 92.636 1.355 -9.375 37 HE1 HIS 5 HE1 HIS 5 92.045 -0.297 -5.534 38 H HIS 6 HN HIS 6 88.617 -0.455 -11.976 39 HA HIS 6 HA HIS 6 86.123 0.960 -12.253 40 1HB HIS 6 2HB HIS 6 87.614 -0.907 -14.126 41 2HB HIS 6 3HB HIS 6 86.164 -0.002 -14.586 42 HD1 HIS 6 HD1 HIS 6 86.499 2.733 -13.711 43 HD2 HIS 6 HD2 HIS 6 89.829 0.520 -14.882 44 HE1 HIS 6 HE1 HIS 6 88.285 4.410 -14.344 45 H ASP 7 HN ASP 7 87.002 -2.314 -11.533 46 HA ASP 7 HA ASP 7 84.314 -3.323 -12.173 47 1HB ASP 7 2HB ASP 7 86.739 -4.710 -10.993 48 2HB ASP 7 3HB ASP 7 85.214 -5.512 -11.370 49 H GLU 8 HN GLU 8 82.715 -3.170 -10.713 50 HA GLU 8 HA GLU 8 83.131 -2.220 -8.037 51 1HB GLU 8 2HB GLU 8 81.054 -1.900 -9.395 52 2HB GLU 8 3HB GLU 8 80.707 -3.617 -9.200 53 1HG GLU 8 2HG GLU 8 80.396 -3.412 -6.884 54 2HG GLU 8 3HG GLU 8 81.212 -1.851 -6.822 55 H LYS 9 HN LYS 9 82.831 -5.416 -9.435 56 HA LYS 9 HA LYS 9 82.261 -6.871 -7.055 57 1HB LYS 9 2HB LYS 9 83.604 -7.563 -9.658 58 2HB LYS 9 3HB LYS 9 83.482 -8.753 -8.363 59 1HG LYS 9 2HG LYS 9 81.432 -9.237 -9.139 60 2HG LYS 9 3HG LYS 9 80.913 -7.664 -8.542 61 1HD LYS 9 2HD LYS 9 82.138 -8.072 -11.285 62 2HD LYS 9 3HD LYS 9 80.402 -8.105 -10.995 63 1HE LYS 9 2HE LYS 9 80.979 -5.782 -9.767 64 2HE LYS 9 3HE LYS 9 82.292 -5.802 -10.944 65 1HZ LYS 9 HZ3 LYS 9 80.043 -6.589 -12.329 66 2HZ LYS 9 HZ2 LYS 9 79.529 -5.290 -11.360 67 3HZ LYS 9 HZ1 LYS 9 80.827 -5.089 -12.435 68 H THR 10 HN THR 10 85.307 -5.680 -8.348 69 HA THR 10 HA THR 10 86.973 -7.343 -6.748 70 HB THR 10 HB THR 10 88.292 -4.882 -7.232 71 HG1 THR 10 HG1 THR 10 86.694 -5.809 -9.362 72 1HG2 THR 10 HG23 THR 10 88.986 -7.409 -7.446 73 2HG2 THR 10 HG22 THR 10 88.443 -7.196 -9.110 74 3HG2 THR 10 HG21 THR 10 89.738 -6.190 -8.469 75 H TRP 11 HN TRP 11 85.358 -4.312 -5.969 76 HA TRP 11 HA TRP 11 86.620 -4.509 -3.259 77 1HB TRP 11 2HB TRP 11 85.878 -1.926 -3.306 78 2HB TRP 11 3HB TRP 11 87.456 -2.464 -3.876 79 HD1 TRP 11 HD1 TRP 11 87.482 -3.142 -6.576 80 HE1 TRP 11 HE1 TRP 11 86.414 -1.892 -8.542 81 HE3 TRP 11 HE3 TRP 11 84.040 -0.401 -4.049 82 HZ2 TRP 11 HZ2 TRP 11 84.376 0.064 -8.981 83 HZ3 TRP 11 HZ3 TRP 11 82.539 1.157 -5.261 84 HH2 TRP 11 HH2 TRP 11 82.705 1.392 -7.725 85 H ASN 12 HN ASN 12 83.728 -4.676 -4.985 86 HA ASN 12 HA ASN 12 82.101 -3.724 -2.694 87 1HB ASN 12 2HB ASN 12 81.559 -3.045 -5.045 88 2HB ASN 12 3HB ASN 12 81.177 -4.734 -5.381 89 1HD2 ASN 12 HD22 ASN 12 78.742 -2.810 -2.680 90 2HD2 ASN 12 HD21 ASN 12 80.400 -2.457 -2.680 91 H VAL 13 HN VAL 13 81.539 -5.182 -1.184 92 HA VAL 13 HA VAL 13 80.770 -7.927 -2.036 93 HB VAL 13 HB VAL 13 81.987 -8.772 0.037 94 1HG1 VAL 13 HG12 VAL 13 82.845 -8.439 -2.566 95 2HG1 VAL 13 HG11 VAL 13 84.151 -7.696 -1.639 96 3HG1 VAL 13 HG13 VAL 13 83.692 -9.371 -1.332 97 1HG2 VAL 13 HG23 VAL 13 83.056 -5.952 -0.148 98 2HG2 VAL 13 HG22 VAL 13 82.366 -6.766 1.255 99 3HG2 VAL 13 HG21 VAL 13 83.951 -7.243 0.652 100 H GLY 14 HN GLY 14 79.364 -5.456 -1.120 101 1HA GLY 14 2HA GLY 14 78.482 -5.331 1.478 102 2HA GLY 14 3HA GLY 14 77.380 -5.131 0.116 103 H SER 15 HN SER 15 77.792 -7.891 -0.826 104 HA SER 15 HA SER 15 75.648 -9.165 0.546 105 1HB SER 15 2HB SER 15 76.452 -9.740 -1.766 106 2HB SER 15 3HB SER 15 77.858 -10.514 -1.043 107 HG SER 15 HG SER 15 76.090 -11.656 0.243 108 H SER 16 HN SER 16 79.122 -9.266 0.994 109 HA SER 16 HA SER 16 79.313 -11.460 2.786 110 1HB SER 16 2HB SER 16 80.951 -8.927 2.561 111 2HB SER 16 3HB SER 16 81.401 -10.300 3.562 112 HG SER 16 HG SER 16 80.711 -10.833 0.918 113 H ASN 17 HN ASN 17 79.108 -11.622 5.006 114 HA ASN 17 HA ASN 17 77.467 -9.602 6.339 115 1HB ASN 17 2HB ASN 17 77.231 -12.102 6.716 116 2HB ASN 17 3HB ASN 17 78.755 -12.031 7.609 117 1HD2 ASN 17 HD22 ASN 17 76.745 -11.328 10.448 118 2HD2 ASN 17 HD21 ASN 17 77.750 -12.470 9.685 119 H ARG 18 HN ARG 18 78.117 -8.712 8.472 120 HA ARG 18 HA ARG 18 80.577 -7.326 8.306 121 1HB ARG 18 2HB ARG 18 78.570 -6.755 9.772 122 2HB ARG 18 3HB ARG 18 79.143 -8.002 10.884 123 1HG ARG 18 2HG ARG 18 81.275 -6.856 11.130 124 2HG ARG 18 3HG ARG 18 80.789 -5.642 9.944 125 1HD ARG 18 2HD ARG 18 80.234 -4.520 11.888 126 2HD ARG 18 3HD ARG 18 78.718 -5.375 11.598 127 HE ARG 18 HE ARG 18 80.100 -7.159 13.147 128 1HH1 ARG 18 HH21 ARG 18 79.466 -3.767 13.366 129 2HH1 ARG 18 HH22 ARG 18 79.345 -3.773 15.094 130 1HH2 ARG 18 HH11 ARG 18 79.964 -7.156 15.407 131 2HH2 ARG 18 HH12 ARG 18 79.660 -5.670 16.240 132 H ASN 19 HN ASN 19 79.738 -10.298 10.114 133 HA ASN 19 HA ASN 19 82.320 -10.667 11.290 134 1HB ASN 19 2HB ASN 19 80.230 -11.901 11.939 135 2HB ASN 19 3HB ASN 19 80.377 -12.838 10.450 136 1HD2 ASN 19 HD22 ASN 19 83.830 -13.406 12.428 137 2HD2 ASN 19 HD21 ASN 19 83.443 -11.957 11.633 138 H LYS 20 HN LYS 20 80.938 -11.641 8.197 139 HA LYS 20 HA LYS 20 83.134 -13.228 7.281 140 1HB LYS 20 2HB LYS 20 80.876 -13.237 6.255 141 2HB LYS 20 3HB LYS 20 81.149 -11.598 5.663 142 1HG LYS 20 2HG LYS 20 81.747 -12.906 3.809 143 2HG LYS 20 3HG LYS 20 83.306 -12.632 4.586 144 1HD LYS 20 2HD LYS 20 83.398 -14.927 4.315 145 2HD LYS 20 3HD LYS 20 82.644 -14.844 5.907 146 1HE LYS 20 2HE LYS 20 80.404 -14.940 4.799 147 2HE LYS 20 3HE LYS 20 81.219 -15.162 3.252 148 1HZ LYS 20 HZ1 LYS 20 81.903 -16.942 5.480 149 2HZ LYS 20 HZ3 LYS 20 80.446 -17.201 4.649 150 3HZ LYS 20 HZ2 LYS 20 81.921 -17.244 3.805 151 H ALA 21 HN ALA 21 82.589 -9.783 7.411 152 HA ALA 21 HA ALA 21 84.535 -8.938 5.498 153 1HB ALA 21 HB1 ALA 21 82.857 -7.742 7.485 154 2HB ALA 21 HB3 ALA 21 84.489 -7.110 7.690 155 3HB ALA 21 HB2 ALA 21 83.676 -6.959 6.133 156 H GLU 22 HN GLU 22 84.829 -9.589 9.003 157 HA GLU 22 HA GLU 22 87.589 -8.870 9.173 158 1HB GLU 22 2HB GLU 22 85.981 -10.902 10.754 159 2HB GLU 22 3HB GLU 22 87.639 -10.441 11.147 160 1HG GLU 22 2HG GLU 22 86.969 -8.111 11.434 161 2HG GLU 22 3HG GLU 22 85.322 -8.504 10.945 162 H ASN 23 HN ASN 23 85.951 -11.907 8.338 163 HA ASN 23 HA ASN 23 88.287 -13.507 8.068 164 1HB ASN 23 2HB ASN 23 85.600 -13.638 6.674 165 2HB ASN 23 3HB ASN 23 86.856 -14.856 6.469 166 1HD2 ASN 23 HD22 ASN 23 86.473 -15.075 10.351 167 2HD2 ASN 23 HD21 ASN 23 87.548 -14.085 9.486 168 H LEU 24 HN LEU 24 86.558 -11.371 5.843 169 HA LEU 24 HA LEU 24 88.268 -11.839 3.571 170 1HB LEU 24 2HB LEU 24 86.434 -9.540 4.318 171 2HB LEU 24 3HB LEU 24 87.304 -9.619 2.786 172 HG LEU 24 HG LEU 24 85.523 -11.866 3.752 173 1HD1 LEU 24 HD12 LEU 24 84.386 -9.535 3.361 174 2HD1 LEU 24 HD11 LEU 24 84.720 -9.853 1.659 175 3HD1 LEU 24 HD13 LEU 24 83.696 -10.957 2.575 176 1HD2 LEU 24 HD23 LEU 24 87.310 -11.405 1.512 177 2HD2 LEU 24 HD22 LEU 24 86.446 -12.879 1.950 178 3HD2 LEU 24 HD21 LEU 24 85.665 -11.668 0.936 179 H LEU 25 HN LEU 25 88.437 -9.778 6.405 180 HA LEU 25 HA LEU 25 90.763 -8.288 5.321 181 1HB LEU 25 2HB LEU 25 89.353 -8.215 8.012 182 2HB LEU 25 3HB LEU 25 90.733 -7.201 7.595 183 HG LEU 25 HG LEU 25 88.464 -7.190 5.677 184 1HD1 LEU 25 HD11 LEU 25 88.256 -6.371 8.536 185 2HD1 LEU 25 HD13 LEU 25 87.612 -5.245 7.342 186 3HD1 LEU 25 HD12 LEU 25 86.990 -6.893 7.424 187 1HD2 LEU 25 HD22 LEU 25 90.395 -5.186 6.874 188 2HD2 LEU 25 HD21 LEU 25 90.307 -5.752 5.203 189 3HD2 LEU 25 HD23 LEU 25 89.045 -4.700 5.846 190 H ARG 26 HN ARG 26 90.112 -11.157 7.047 191 HA ARG 26 HA ARG 26 92.681 -11.221 8.478 192 1HB ARG 26 2HB ARG 26 90.146 -12.639 8.569 193 2HB ARG 26 3HB ARG 26 91.508 -13.761 8.591 194 1HG ARG 26 2HG ARG 26 92.524 -12.348 10.422 195 2HG ARG 26 3HG ARG 26 91.017 -11.434 10.468 196 1HD ARG 26 2HD ARG 26 91.091 -13.243 12.189 197 2HD ARG 26 3HD ARG 26 89.765 -13.455 11.047 198 HE ARG 26 HE ARG 26 91.830 -14.934 9.937 199 1HH1 ARG 26 HH21 ARG 26 90.260 -14.749 12.997 200 2HH1 ARG 26 HH22 ARG 26 90.504 -16.423 13.376 201 1HH2 ARG 26 HH11 ARG 26 92.115 -17.132 10.382 202 2HH2 ARG 26 HH12 ARG 26 91.534 -17.784 11.877 203 H GLY 27 HN GLY 27 94.523 -12.161 7.688 204 1HA GLY 27 2HA GLY 27 95.849 -13.690 6.443 205 2HA GLY 27 3HA GLY 27 94.375 -14.332 5.721 206 H LYS 28 HN LYS 28 94.225 -11.018 5.480 207 HA LYS 28 HA LYS 28 95.166 -11.152 2.662 208 1HB LYS 28 2HB LYS 28 93.272 -9.256 4.064 209 2HB LYS 28 3HB LYS 28 93.721 -9.137 2.359 210 1HG LYS 28 2HG LYS 28 93.030 -11.751 2.491 211 2HG LYS 28 3HG LYS 28 91.957 -11.092 3.720 212 1HD LYS 28 2HD LYS 28 90.646 -10.784 1.827 213 2HD LYS 28 3HD LYS 28 91.521 -9.249 1.850 214 1HE LYS 28 2HE LYS 28 93.221 -10.209 0.339 215 2HE LYS 28 3HE LYS 28 92.318 -11.721 0.295 216 1HZ LYS 28 HZ3 LYS 28 90.968 -9.201 -0.400 217 2HZ LYS 28 HZ2 LYS 28 91.968 -9.963 -1.547 218 3HZ LYS 28 HZ1 LYS 28 90.626 -10.784 -0.911 219 H ARG 29 HN ARG 29 96.872 -9.995 2.024 220 HA ARG 29 HA ARG 29 98.626 -8.731 3.868 221 1HB ARG 29 2HB ARG 29 99.299 -9.653 1.633 222 2HB ARG 29 3HB ARG 29 98.514 -8.266 0.872 223 1HG ARG 29 2HG ARG 29 99.989 -6.748 2.179 224 2HG ARG 29 3HG ARG 29 100.827 -8.152 2.840 225 1HD ARG 29 2HD ARG 29 100.860 -8.650 0.126 226 2HD ARG 29 3HD ARG 29 101.063 -6.901 0.191 227 HE ARG 29 HE ARG 29 103.156 -8.653 0.626 228 1HH1 ARG 29 HH21 ARG 29 101.488 -6.329 2.590 229 2HH1 ARG 29 HH22 ARG 29 102.848 -6.051 3.622 230 1HH2 ARG 29 HH11 ARG 29 104.924 -8.256 1.958 231 2HH2 ARG 29 HH12 ARG 29 104.772 -7.147 3.280 232 H ASP 30 HN ASP 30 99.072 -6.543 4.283 233 HA ASP 30 HA ASP 30 96.945 -4.733 4.575 234 1HB ASP 30 2HB ASP 30 99.865 -4.065 4.060 235 2HB ASP 30 3HB ASP 30 98.677 -3.002 4.816 236 H GLY 31 HN GLY 31 96.267 -2.896 3.251 237 1HA GLY 31 2HA GLY 31 96.424 -1.547 1.207 238 2HA GLY 31 3HA GLY 31 97.268 -2.886 0.433 239 H THR 32 HN THR 32 95.486 -4.961 1.302 240 HA THR 32 HA THR 32 93.471 -4.783 -0.753 241 HB THR 32 HB THR 32 93.691 -6.706 1.589 242 HG1 THR 32 HG1 THR 32 95.200 -7.626 0.474 243 1HG2 THR 32 HG22 THR 32 91.958 -6.562 -0.840 244 2HG2 THR 32 HG21 THR 32 92.547 -8.151 -0.348 245 3HG2 THR 32 HG23 THR 32 91.584 -7.183 0.769 246 H PHE 33 HN PHE 33 91.461 -3.891 -0.623 247 HA PHE 33 HA PHE 33 90.259 -3.623 2.071 248 1HB PHE 33 2HB PHE 33 90.092 -1.356 2.055 249 2HB PHE 33 3HB PHE 33 91.471 -1.455 0.964 250 HD1 PHE 33 HD1 PHE 33 90.958 -1.607 -1.580 251 HD2 PHE 33 HD2 PHE 33 88.073 -0.387 1.352 252 HE1 PHE 33 HE1 PHE 33 89.585 -0.536 -3.345 253 HE2 PHE 33 HE2 PHE 33 86.723 0.677 -0.450 254 HZ PHE 33 HZ PHE 33 87.479 0.588 -2.773 255 H LEU 34 HN LEU 34 87.951 -3.138 1.979 256 HA LEU 34 HA LEU 34 86.685 -3.926 -0.603 257 1HB LEU 34 2HB LEU 34 85.212 -5.496 0.547 258 2HB LEU 34 3HB LEU 34 86.886 -5.944 0.847 259 HG LEU 34 HG LEU 34 86.047 -4.059 2.855 260 1HD1 LEU 34 HD13 LEU 34 83.779 -5.050 2.169 261 2HD1 LEU 34 HD12 LEU 34 84.381 -6.580 2.816 262 3HD1 LEU 34 HD11 LEU 34 84.213 -5.181 3.876 263 1HD2 LEU 34 HD21 LEU 34 86.805 -6.992 2.856 264 2HD2 LEU 34 HD23 LEU 34 87.866 -5.621 3.170 265 3HD2 LEU 34 HD22 LEU 34 86.598 -6.039 4.325 266 H VAL 35 HN VAL 35 84.338 -3.441 -0.630 267 HA VAL 35 HA VAL 35 83.708 -1.152 1.179 268 HB VAL 35 HB VAL 35 82.903 -1.565 -1.721 269 1HG1 VAL 35 HG12 VAL 35 81.805 0.128 0.445 270 2HG1 VAL 35 HG11 VAL 35 82.168 0.987 -1.052 271 3HG1 VAL 35 HG13 VAL 35 81.059 -0.386 -1.067 272 1HG2 VAL 35 HG22 VAL 35 85.218 -0.751 -1.345 273 2HG2 VAL 35 HG21 VAL 35 84.209 0.499 -2.067 274 3HG2 VAL 35 HG23 VAL 35 84.579 0.556 -0.347 275 H ARG 36 HN ARG 36 81.879 -1.369 2.354 276 HA ARG 36 HA ARG 36 79.887 -3.420 1.513 277 1HB ARG 36 2HB ARG 36 79.717 -4.174 3.869 278 2HB ARG 36 3HB ARG 36 81.334 -4.445 3.221 279 1HG ARG 36 2HG ARG 36 82.263 -2.667 4.441 280 2HG ARG 36 3HG ARG 36 80.699 -1.881 4.670 281 1HD ARG 36 2HD ARG 36 81.382 -4.572 5.866 282 2HD ARG 36 3HD ARG 36 81.624 -3.050 6.727 283 HE ARG 36 HE ARG 36 78.990 -2.902 5.938 284 1HH1 ARG 36 HH21 ARG 36 80.938 -5.276 7.488 285 2HH1 ARG 36 HH22 ARG 36 79.658 -5.861 8.496 286 1HH2 ARG 36 HH11 ARG 36 77.307 -3.648 7.221 287 2HH2 ARG 36 HH12 ARG 36 77.586 -4.951 8.331 288 H GLU 37 HN GLU 37 77.953 -3.156 3.352 289 HA GLU 37 HA GLU 37 77.242 -0.279 3.136 290 1HB GLU 37 2HB GLU 37 74.937 -1.096 3.639 291 2HB GLU 37 3HB GLU 37 75.610 -1.864 2.202 292 1HG GLU 37 2HG GLU 37 76.001 -3.894 3.327 293 2HG GLU 37 3HG GLU 37 75.918 -3.132 4.914 294 H SER 38 HN SER 38 76.010 0.576 5.109 295 HA SER 38 HA SER 38 77.555 -0.068 7.509 296 1HB SER 38 2HB SER 38 75.217 1.771 6.955 297 2HB SER 38 3HB SER 38 75.861 1.547 8.578 298 HG SER 38 HG SER 38 77.537 2.197 6.398 299 H SER 39 HN SER 39 75.483 -1.670 5.840 300 HA SER 39 HA SER 39 74.519 -3.738 6.424 301 1HB SER 39 2HB SER 39 73.920 -2.595 9.171 302 2HB SER 39 3HB SER 39 73.818 -4.275 8.662 303 HG SER 39 HG SER 39 75.880 -4.462 8.960 304 H LYS 40 HN LYS 40 72.392 -2.092 8.646 305 HA LYS 40 HA LYS 40 70.264 -2.289 6.606 306 1HB LYS 40 2HB LYS 40 70.207 -1.625 9.558 307 2HB LYS 40 3HB LYS 40 68.773 -1.697 8.536 308 1HG LYS 40 2HG LYS 40 69.370 -4.060 7.948 309 2HG LYS 40 3HG LYS 40 70.695 -3.973 9.110 310 1HD LYS 40 2HD LYS 40 69.103 -3.454 10.909 311 2HD LYS 40 3HD LYS 40 67.772 -3.519 9.756 312 1HE LYS 40 2HE LYS 40 68.266 -5.884 9.292 313 2HE LYS 40 3HE LYS 40 69.623 -5.828 10.417 314 1HZ LYS 40 HZ3 LYS 40 67.220 -4.845 11.591 315 2HZ LYS 40 HZ2 LYS 40 67.031 -6.436 11.030 316 3HZ LYS 40 HZ1 LYS 40 68.264 -6.063 12.136 317 H GLN 41 HN GLN 41 72.435 0.077 7.581 318 HA GLN 41 HA GLN 41 70.525 2.309 7.168 319 1HB GLN 41 2HB GLN 41 73.421 2.241 8.042 320 2HB GLN 41 3HB GLN 41 72.526 3.734 7.766 321 1HG GLN 41 2HG GLN 41 70.879 3.081 9.471 322 2HG GLN 41 3HG GLN 41 71.732 1.553 9.722 323 1HE2 GLN 41 HE22 GLN 41 72.907 4.195 12.189 324 2HE2 GLN 41 HE21 GLN 41 71.352 3.677 11.748 325 H GLY 42 HN GLY 42 70.519 3.581 5.348 326 1HA GLY 42 2HA GLY 42 71.665 2.607 2.923 327 2HA GLY 42 3HA GLY 42 70.972 4.214 3.133 328 H CYS 43 HN CYS 43 73.737 2.915 4.949 329 HA CYS 43 HA CYS 43 75.351 5.087 3.677 330 1HB CYS 43 2HB CYS 43 75.637 3.832 6.421 331 2HB CYS 43 3HB CYS 43 76.735 5.032 5.744 332 HG CYS 43 HG CYS 43 74.931 6.819 5.928 333 H TYR 44 HN TYR 44 77.674 4.608 3.384 334 HA TYR 44 HA TYR 44 78.171 1.684 2.956 335 1HB TYR 44 2HB TYR 44 79.108 4.052 1.317 336 2HB TYR 44 3HB TYR 44 79.688 2.403 1.088 337 HD1 TYR 44 HD1 TYR 44 78.161 0.633 0.252 338 HD2 TYR 44 HD2 TYR 44 76.898 4.723 0.641 339 HE1 TYR 44 HE1 TYR 44 76.181 0.159 -1.168 340 HE2 TYR 44 HE2 TYR 44 74.921 4.250 -0.777 341 HH TYR 44 HH TYR 44 74.607 1.797 -2.749 342 H ALA 45 HN ALA 45 80.287 0.952 3.425 343 HA ALA 45 HA ALA 45 82.117 2.912 4.700 344 1HB ALA 45 HB3 ALA 45 81.161 0.317 5.960 345 2HB ALA 45 HB2 ALA 45 82.516 1.264 6.568 346 3HB ALA 45 HB1 ALA 45 80.891 1.949 6.577 347 H CYS 46 HN CYS 46 84.245 2.508 4.168 348 HA CYS 46 HA CYS 46 84.801 0.012 2.621 349 1HB CYS 46 2HB CYS 46 86.684 1.245 1.612 350 2HB CYS 46 3HB CYS 46 85.181 2.144 1.381 351 HG CYS 46 HG CYS 46 87.507 2.975 3.241 352 H SER 47 HN SER 47 86.061 -1.451 3.599 353 HA SER 47 HA SER 47 87.648 -0.583 5.977 354 1HB SER 47 2HB SER 47 87.488 -2.946 6.682 355 2HB SER 47 3HB SER 47 85.893 -2.248 6.419 356 HG SER 47 HG SER 47 86.706 -4.417 5.379 357 H VAL 48 HN VAL 48 89.840 -1.017 6.053 358 HA VAL 48 HA VAL 48 90.971 -2.546 3.753 359 HB VAL 48 HB VAL 48 91.327 -0.158 3.371 360 1HG1 VAL 48 HG13 VAL 48 92.673 -0.274 6.073 361 2HG1 VAL 48 HG12 VAL 48 92.739 1.108 4.980 362 3HG1 VAL 48 HG11 VAL 48 91.197 0.612 5.684 363 1HG2 VAL 48 HG22 VAL 48 93.177 -2.044 3.075 364 2HG2 VAL 48 HG21 VAL 48 93.552 -0.346 2.780 365 3HG2 VAL 48 HG23 VAL 48 93.998 -1.093 4.315 366 H VAL 49 HN VAL 49 93.096 -3.453 4.209 367 HA VAL 49 HA VAL 49 93.325 -4.319 7.048 368 HB VAL 49 HB VAL 49 94.784 -5.336 4.603 369 1HG1 VAL 49 HG12 VAL 49 95.408 -5.737 7.230 370 2HG1 VAL 49 HG11 VAL 49 94.314 -7.088 6.930 371 3HG1 VAL 49 HG13 VAL 49 95.760 -6.889 5.941 372 1HG2 VAL 49 HG22 VAL 49 92.348 -5.651 4.377 373 2HG2 VAL 49 HG21 VAL 49 93.168 -7.188 4.630 374 3HG2 VAL 49 HG23 VAL 49 92.301 -6.429 5.960 375 H VAL 50 HN VAL 50 95.073 -3.646 8.332 376 HA VAL 50 HA VAL 50 97.220 -2.186 6.856 377 HB VAL 50 HB VAL 50 95.900 -1.469 9.485 378 1HG1 VAL 50 HG13 VAL 50 98.605 -0.917 8.517 379 2HG1 VAL 50 HG12 VAL 50 97.695 0.556 8.840 380 3HG1 VAL 50 HG11 VAL 50 97.909 -0.643 10.114 381 1HG2 VAL 50 HG22 VAL 50 96.147 -0.135 6.787 382 2HG2 VAL 50 HG21 VAL 50 94.675 -0.647 7.610 383 3HG2 VAL 50 HG23 VAL 50 95.605 0.713 8.237 384 H ASP 51 HN ASP 51 99.304 -2.440 7.608 385 HA ASP 51 HA ASP 51 100.157 -4.858 8.617 386 1HB ASP 51 2HB ASP 51 101.391 -2.122 8.996 387 2HB ASP 51 3HB ASP 51 102.205 -3.621 9.449 388 H GLY 52 HN GLY 52 98.644 -2.323 10.264 389 1HA GLY 52 2HA GLY 52 99.451 -3.293 12.926 390 2HA GLY 52 3HA GLY 52 98.436 -1.888 12.603 391 H GLU 53 HN GLU 53 96.284 -2.687 11.289 392 HA GLU 53 HA GLU 53 95.276 -5.286 12.225 393 1HB GLU 53 2HB GLU 53 94.160 -2.731 13.427 394 2HB GLU 53 3HB GLU 53 93.475 -4.338 13.648 395 1HG GLU 53 2HG GLU 53 95.712 -5.047 14.603 396 2HG GLU 53 3HG GLU 53 96.176 -3.344 14.575 397 H VAL 54 HN VAL 54 92.871 -5.482 11.674 398 HA VAL 54 HA VAL 54 92.400 -4.628 8.979 399 HB VAL 54 HB VAL 54 90.191 -5.630 9.344 400 1HG1 VAL 54 HG13 VAL 54 92.326 -7.027 9.139 401 2HG1 VAL 54 HG12 VAL 54 92.220 -7.248 10.883 402 3HG1 VAL 54 HG11 VAL 54 90.931 -7.849 9.837 403 1HG2 VAL 54 HG21 VAL 54 90.909 -5.026 12.141 404 2HG2 VAL 54 HG23 VAL 54 89.316 -5.131 11.394 405 3HG2 VAL 54 HG22 VAL 54 90.148 -6.599 11.905 406 H LYS 55 HN LYS 55 91.232 -2.744 8.274 407 HA LYS 55 HA LYS 55 90.376 -0.958 10.521 408 1HB LYS 55 2HB LYS 55 91.257 -0.123 7.754 409 2HB LYS 55 3HB LYS 55 90.942 0.930 9.136 410 1HG LYS 55 2HG LYS 55 93.098 -1.193 9.002 411 2HG LYS 55 3HG LYS 55 93.357 0.549 8.863 412 1HD LYS 55 2HD LYS 55 92.164 0.712 11.133 413 2HD LYS 55 3HD LYS 55 92.426 -1.027 11.253 414 1HE LYS 55 2HE LYS 55 94.847 0.381 10.423 415 2HE LYS 55 3HE LYS 55 94.249 0.956 11.973 416 1HZ LYS 55 HZ3 LYS 55 94.299 -1.932 11.541 417 2HZ LYS 55 HZ2 LYS 55 95.791 -1.157 11.770 418 3HZ LYS 55 HZ1 LYS 55 94.583 -1.045 12.957 419 H HIS 56 HN HIS 56 88.409 0.008 10.466 420 HA HIS 56 HA HIS 56 86.621 -0.673 8.182 421 1HB HIS 56 2HB HIS 56 86.247 -0.667 11.134 422 2HB HIS 56 3HB HIS 56 84.896 -0.072 10.176 423 HD1 HIS 56 HD1 HIS 56 86.204 -3.141 11.479 424 HD2 HIS 56 HD2 HIS 56 84.345 -2.026 7.931 425 HE1 HIS 56 HE1 HIS 56 85.277 -5.271 10.456 426 H CYS 57 HN CYS 57 86.920 1.239 6.978 427 HA CYS 57 HA CYS 57 86.530 3.822 8.407 428 1HB CYS 57 2HB CYS 57 87.469 3.202 5.591 429 2HB CYS 57 3HB CYS 57 87.308 4.824 6.259 430 HG CYS 57 HG CYS 57 89.199 4.226 7.994 431 H VAL 58 HN VAL 58 84.559 4.695 8.387 432 HA VAL 58 HA VAL 58 82.422 3.575 6.767 433 HB VAL 58 HB VAL 58 82.635 5.809 8.767 434 1HG1 VAL 58 HG12 VAL 58 80.473 5.306 6.750 435 2HG1 VAL 58 HG11 VAL 58 80.014 5.826 8.373 436 3HG1 VAL 58 HG13 VAL 58 81.073 6.835 7.392 437 1HG2 VAL 58 HG23 VAL 58 82.251 3.162 9.100 438 2HG2 VAL 58 HG22 VAL 58 81.538 4.365 10.170 439 3HG2 VAL 58 HG21 VAL 58 80.577 3.660 8.869 440 H ILE 59 HN ILE 59 81.463 4.442 4.982 441 HA ILE 59 HA ILE 59 82.761 6.850 3.813 442 HB ILE 59 HB ILE 59 81.250 4.593 2.455 443 1HG1 ILE 59 HG12 ILE 59 83.461 3.887 3.256 444 2HG1 ILE 59 HG11 ILE 59 83.478 4.038 1.500 445 1HG2 ILE 59 HG21 ILE 59 82.513 7.130 1.426 446 2HG2 ILE 59 HG23 ILE 59 82.298 5.717 0.387 447 3HG2 ILE 59 HG22 ILE 59 80.896 6.501 1.116 448 1HD1 ILE 59 HD12 ILE 59 84.270 6.487 1.993 449 2HD1 ILE 59 HD11 ILE 59 84.724 5.831 3.562 450 3HD1 ILE 59 HD13 ILE 59 85.431 5.171 2.089 451 H ASN 60 HN ASN 60 81.468 8.664 3.577 452 HA ASN 60 HA ASN 60 78.525 8.272 4.036 453 1HB ASN 60 2HB ASN 60 80.314 10.624 4.729 454 2HB ASN 60 3HB ASN 60 78.558 10.631 4.891 455 1HD2 ASN 60 HD22 ASN 60 79.333 7.629 7.277 456 2HD2 ASN 60 HD21 ASN 60 78.992 7.546 5.615 457 H LYS 61 HN LYS 61 77.560 8.405 2.023 458 HA LYS 61 HA LYS 61 78.627 10.399 0.087 459 1HB LYS 61 2HB LYS 61 78.161 8.078 -0.725 460 2HB LYS 61 3HB LYS 61 76.464 8.301 -0.313 461 1HG LYS 61 2HG LYS 61 76.287 10.161 -1.901 462 2HG LYS 61 3HG LYS 61 78.005 10.035 -2.274 463 1HD LYS 61 2HD LYS 61 77.680 7.793 -3.208 464 2HD LYS 61 3HD LYS 61 75.975 7.823 -2.752 465 1HE LYS 61 2HE LYS 61 75.545 9.669 -4.272 466 2HE LYS 61 3HE LYS 61 77.264 9.817 -4.640 467 1HZ LYS 61 HZ1 LYS 61 76.827 7.246 -5.213 468 2HZ LYS 61 HZ3 LYS 61 75.318 7.904 -5.620 469 3HZ LYS 61 HZ2 LYS 61 76.729 8.499 -6.356 470 H THR 62 HN THR 62 77.725 12.370 0.121 471 HA THR 62 HA THR 62 74.796 12.594 0.396 472 HB THR 62 HB THR 62 74.953 14.344 2.103 473 HG1 THR 62 HG1 THR 62 77.539 14.211 1.406 474 1HG2 THR 62 HG23 THR 62 74.980 11.776 2.659 475 2HG2 THR 62 HG22 THR 62 76.621 12.112 3.215 476 3HG2 THR 62 HG21 THR 62 75.251 12.951 3.943 477 H ALA 63 HN ALA 63 74.174 14.984 -0.055 478 HA ALA 63 HA ALA 63 75.223 15.752 -2.558 479 1HB ALA 63 HB3 ALA 63 73.456 16.989 -0.535 480 2HB ALA 63 HB2 ALA 63 74.279 18.130 -1.602 481 3HB ALA 63 HB1 ALA 63 73.257 16.863 -2.285 482 H THR 64 HN THR 64 76.153 16.821 0.710 483 HA THR 64 HA THR 64 78.438 18.267 -0.574 484 HB THR 64 HB THR 64 77.121 18.797 2.105 485 HG1 THR 64 HG1 THR 64 77.197 20.728 0.162 486 1HG2 THR 64 HG23 THR 64 79.669 19.639 0.897 487 2HG2 THR 64 HG22 THR 64 78.667 20.982 1.441 488 3HG2 THR 64 HG21 THR 64 79.141 19.718 2.576 489 H GLY 65 HN GLY 65 77.628 15.603 1.412 490 1HA GLY 65 2HA GLY 65 80.274 15.580 2.750 491 2HA GLY 65 3HA GLY 65 78.965 14.445 3.062 492 H TYR 66 HN TYR 66 80.921 12.957 2.860 493 HA TYR 66 HA TYR 66 80.807 11.375 0.527 494 1HB TYR 66 2HB TYR 66 82.241 13.695 0.003 495 2HB TYR 66 3HB TYR 66 83.497 12.518 0.382 496 HD1 TYR 66 HD2 TYR 66 80.167 12.325 -1.343 497 HD2 TYR 66 HD1 TYR 66 84.388 11.570 -1.541 498 HE1 TYR 66 HE2 TYR 66 79.876 11.291 -3.577 499 HE2 TYR 66 HE1 TYR 66 84.099 10.543 -3.772 500 HH TYR 66 HH TYR 66 81.090 10.725 -5.510 501 H GLY 67 HN GLY 67 83.357 10.221 0.515 502 1HA GLY 67 2HA GLY 67 83.400 8.631 2.811 503 2HA GLY 67 3HA GLY 67 84.817 8.899 1.797 504 H PHE 68 HN PHE 68 85.324 11.572 2.149 505 HA PHE 68 HA PHE 68 85.881 11.771 5.081 506 1HB PHE 68 2HB PHE 68 87.410 12.929 2.727 507 2HB PHE 68 3HB PHE 68 87.775 13.270 4.420 508 HD1 PHE 68 HD1 PHE 68 87.788 11.020 5.920 509 HD2 PHE 68 HD2 PHE 68 88.739 11.251 1.739 510 HE1 PHE 68 HE1 PHE 68 89.122 8.950 6.114 511 HE2 PHE 68 HE2 PHE 68 90.077 9.162 1.932 512 HZ PHE 68 HZ PHE 68 90.273 8.018 4.128 513 H ALA 69 HN ALA 69 84.266 13.178 2.413 514 HA ALA 69 HA ALA 69 82.955 15.111 2.183 515 1HB ALA 69 HB2 ALA 69 83.003 14.905 5.205 516 2HB ALA 69 HB1 ALA 69 81.913 15.944 4.285 517 3HB ALA 69 HB3 ALA 69 81.803 14.189 4.129 518 H GLU 70 HN GLU 70 85.837 15.557 2.206 519 HA GLU 70 HA GLU 70 86.028 18.152 3.656 520 1HB GLU 70 2HB GLU 70 88.134 16.377 2.395 521 2HB GLU 70 3HB GLU 70 88.478 17.970 3.074 522 1HG GLU 70 2HG GLU 70 87.690 17.268 5.261 523 2HG GLU 70 3HG GLU 70 87.160 15.714 4.614 524 HA PRO 71 HA PRO 71 85.123 20.568 0.062 525 1HB PRO 71 2HB PRO 71 87.627 22.002 0.898 526 2HB PRO 71 3HB PRO 71 86.053 22.673 0.438 527 1HG PRO 71 2HG PRO 71 86.800 22.477 2.988 528 2HG PRO 71 3HG PRO 71 85.119 22.247 2.482 529 1HD PRO 71 2HD PRO 71 87.052 20.242 3.469 530 2HD PRO 71 3HD PRO 71 85.278 20.177 3.421 531 H TYR 72 HN TYR 72 88.163 18.923 0.482 532 HA TYR 72 HA TYR 72 89.085 19.547 -2.260 533 1HB TYR 72 2HB TYR 72 90.256 17.768 -0.102 534 2HB TYR 72 3HB TYR 72 91.012 18.086 -1.663 535 HD1 TYR 72 HD1 TYR 72 89.971 19.565 1.541 536 HD2 TYR 72 HD2 TYR 72 92.019 20.224 -2.168 537 HE1 TYR 72 HE1 TYR 72 90.900 21.680 2.434 538 HE2 TYR 72 HE2 TYR 72 92.948 22.346 -1.286 539 HH TYR 72 HH TYR 72 91.753 23.923 1.307 540 H ASN 73 HN ASN 73 86.899 17.427 -0.932 541 HA ASN 73 HA ASN 73 87.551 15.306 -2.918 542 1HB ASN 73 2HB ASN 73 86.085 13.837 -1.587 543 2HB ASN 73 3HB ASN 73 87.340 14.543 -0.570 544 1HD2 ASN 73 HD22 ASN 73 84.139 16.871 -0.017 545 2HD2 ASN 73 HD21 ASN 73 85.124 16.933 -1.395 546 H LEU 74 HN LEU 74 84.321 15.192 -1.856 547 HA LEU 74 HA LEU 74 82.303 15.594 -2.985 548 1HB LEU 74 2HB LEU 74 83.864 17.966 -4.049 549 2HB LEU 74 3HB LEU 74 82.132 17.726 -4.268 550 HG LEU 74 HG LEU 74 83.541 17.940 -1.595 551 1HD1 LEU 74 HD12 LEU 74 82.142 19.880 -3.375 552 2HD1 LEU 74 HD11 LEU 74 81.915 20.041 -1.632 553 3HD1 LEU 74 HD13 LEU 74 83.535 20.121 -2.322 554 1HD2 LEU 74 HD22 LEU 74 80.840 17.096 -2.428 555 2HD2 LEU 74 HD21 LEU 74 81.676 16.829 -0.899 556 3HD2 LEU 74 HD23 LEU 74 80.844 18.355 -1.197 557 H TYR 75 HN TYR 75 84.398 13.921 -4.222 558 HA TYR 75 HA TYR 75 84.580 14.363 -7.014 559 1HB TYR 75 2HB TYR 75 84.424 11.714 -5.554 560 2HB TYR 75 3HB TYR 75 85.016 11.951 -7.196 561 HD1 TYR 75 HD1 TYR 75 86.945 13.659 -7.526 562 HD2 TYR 75 HD2 TYR 75 85.908 11.947 -3.726 563 HE1 TYR 75 HE1 TYR 75 89.186 14.258 -6.647 564 HE2 TYR 75 HE2 TYR 75 88.152 12.536 -2.848 565 HH TYR 75 HH TYR 75 90.439 12.990 -3.773 566 H SER 76 HN SER 76 83.315 13.527 -8.746 567 HA SER 76 HA SER 76 80.494 13.795 -8.343 568 1HB SER 76 2HB SER 76 80.266 13.227 -10.688 569 2HB SER 76 3HB SER 76 81.647 14.300 -10.487 570 HG SER 76 HG SER 76 81.680 12.061 -11.704 571 H SER 77 HN SER 77 82.550 10.907 -8.440 572 HA SER 77 HA SER 77 80.107 9.337 -7.758 573 1HB SER 77 2HB SER 77 80.507 9.023 -10.149 574 2HB SER 77 3HB SER 77 82.172 8.548 -9.822 575 HG SER 77 HG SER 77 80.206 6.947 -9.971 576 H LEU 78 HN LEU 78 80.532 7.340 -6.631 577 HA LEU 78 HA LEU 78 82.617 7.525 -4.690 578 1HB LEU 78 2HB LEU 78 80.913 5.164 -5.551 579 2HB LEU 78 3HB LEU 78 82.010 5.134 -4.169 580 HG LEU 78 HG LEU 78 79.741 7.114 -4.514 581 1HD1 LEU 78 HD13 LEU 78 79.392 4.484 -4.014 582 2HD1 LEU 78 HD12 LEU 78 79.756 5.031 -2.377 583 3HD1 LEU 78 HD11 LEU 78 78.393 5.725 -3.256 584 1HD2 LEU 78 HD23 LEU 78 81.900 6.648 -2.490 585 2HD2 LEU 78 HD22 LEU 78 81.238 8.170 -3.085 586 3HD2 LEU 78 HD21 LEU 78 80.328 7.206 -1.923 587 H LYS 79 HN LYS 79 82.422 5.841 -7.808 588 HA LYS 79 HA LYS 79 84.616 4.108 -7.651 589 1HB LYS 79 2HB LYS 79 83.795 5.951 -9.919 590 2HB LYS 79 3HB LYS 79 84.969 4.645 -10.089 591 1HG LYS 79 2HG LYS 79 83.265 3.007 -9.405 592 2HG LYS 79 3HG LYS 79 82.089 4.305 -9.205 593 1HD LYS 79 2HD LYS 79 82.172 4.842 -11.556 594 2HD LYS 79 3HD LYS 79 83.519 3.730 -11.811 595 1HE LYS 79 2HE LYS 79 81.972 1.882 -10.962 596 2HE LYS 79 3HE LYS 79 80.657 3.049 -11.123 597 1HZ LYS 79 HZ1 LYS 79 82.499 2.630 -13.372 598 2HZ LYS 79 HZ3 LYS 79 81.266 1.499 -13.097 599 3HZ LYS 79 HZ2 LYS 79 80.875 3.125 -13.390 600 H GLU 80 HN GLU 80 84.555 7.591 -8.196 601 HA GLU 80 HA GLU 80 87.383 7.977 -8.479 602 1HB GLU 80 2HB GLU 80 85.112 9.789 -7.621 603 2HB GLU 80 3HB GLU 80 86.762 10.363 -7.817 604 1HG GLU 80 2HG GLU 80 86.770 9.655 -10.155 605 2HG GLU 80 3HG GLU 80 85.162 8.953 -9.970 606 H LEU 81 HN LEU 81 85.203 7.907 -5.698 607 HA LEU 81 HA LEU 81 86.992 8.845 -3.697 608 1HB LEU 81 2HB LEU 81 84.547 8.489 -3.387 609 2HB LEU 81 3HB LEU 81 84.812 6.752 -3.414 610 HG LEU 81 HG LEU 81 86.335 8.517 -1.509 611 1HD1 LEU 81 HD12 LEU 81 83.474 7.784 -1.437 612 2HD1 LEU 81 HD11 LEU 81 84.367 7.423 0.039 613 3HD1 LEU 81 HD13 LEU 81 84.329 9.070 -0.586 614 1HD2 LEU 81 HD23 LEU 81 86.045 5.669 -2.049 615 2HD2 LEU 81 HD22 LEU 81 87.249 6.509 -1.074 616 3HD2 LEU 81 HD21 LEU 81 85.702 6.052 -0.363 617 H VAL 82 HN VAL 82 86.456 5.544 -4.931 618 HA VAL 82 HA VAL 82 88.265 4.281 -3.096 619 HB VAL 82 HB VAL 82 87.337 3.479 -5.867 620 1HG1 VAL 82 HG13 VAL 82 89.024 2.035 -3.809 621 2HG1 VAL 82 HG12 VAL 82 88.164 1.189 -5.097 622 3HG1 VAL 82 HG11 VAL 82 89.425 2.358 -5.496 623 1HG2 VAL 82 HG21 VAL 82 86.429 2.988 -3.038 624 2HG2 VAL 82 HG23 VAL 82 85.464 3.365 -4.465 625 3HG2 VAL 82 HG22 VAL 82 86.137 1.748 -4.258 626 H LEU 83 HN LEU 83 88.698 5.526 -6.404 627 HA LEU 83 HA LEU 83 91.469 4.807 -6.620 628 1HB LEU 83 2HB LEU 83 89.750 6.831 -8.055 629 2HB LEU 83 3HB LEU 83 91.427 6.508 -8.496 630 HG LEU 83 HG LEU 83 89.244 4.416 -8.348 631 1HD1 LEU 83 HD12 LEU 83 89.125 6.203 -10.206 632 2HD1 LEU 83 HD11 LEU 83 90.597 5.460 -10.835 633 3HD1 LEU 83 HD13 LEU 83 89.114 4.513 -10.708 634 1HD2 LEU 83 HD22 LEU 83 92.189 4.396 -8.803 635 2HD2 LEU 83 HD21 LEU 83 91.157 3.169 -8.069 636 3HD2 LEU 83 HD23 LEU 83 91.224 3.332 -9.826 637 H HIS 84 HN HIS 84 89.850 7.796 -5.550 638 HA HIS 84 HA HIS 84 92.241 9.358 -5.405 639 1HB HIS 84 2HB HIS 84 89.544 9.572 -4.076 640 2HB HIS 84 3HB HIS 84 90.847 10.690 -3.671 641 HD1 HIS 84 HD1 HIS 84 88.640 9.638 -6.544 642 HD2 HIS 84 HD2 HIS 84 91.481 12.569 -5.686 643 HE1 HIS 84 HE1 HIS 84 88.561 11.304 -8.452 644 H TYR 85 HN TYR 85 90.615 7.321 -2.954 645 HA TYR 85 HA TYR 85 92.557 7.967 -0.886 646 1HB TYR 85 2HB TYR 85 90.619 5.639 -1.088 647 2HB TYR 85 3HB TYR 85 91.532 6.087 0.349 648 HD1 TYR 85 HD2 TYR 85 90.796 9.127 -1.238 649 HD2 TYR 85 HD1 TYR 85 88.886 6.000 1.025 650 HE1 TYR 85 HE2 TYR 85 89.018 10.694 -0.572 651 HE2 TYR 85 HE1 TYR 85 87.097 7.586 1.682 652 HH TYR 85 HH TYR 85 86.486 10.391 0.158 653 H GLN 86 HN GLN 86 92.544 5.887 -3.592 654 HA GLN 86 HA GLN 86 94.324 3.828 -2.636 655 1HB GLN 86 2HB GLN 86 92.998 3.547 -4.682 656 2HB GLN 86 3HB GLN 86 93.833 4.911 -5.432 657 1HG GLN 86 2HG GLN 86 95.620 2.831 -4.350 658 2HG GLN 86 3HG GLN 86 94.610 2.308 -5.701 659 1HE2 GLN 86 HE21 GLN 86 96.271 2.295 -7.282 660 2HE2 GLN 86 HE22 GLN 86 97.047 3.705 -7.815 661 H HIS 87 HN HIS 87 94.792 7.017 -4.095 662 HA HIS 87 HA HIS 87 97.727 6.637 -4.085 663 1HB HIS 87 2HB HIS 87 97.836 8.587 -5.422 664 2HB HIS 87 3HB HIS 87 96.357 7.788 -5.955 665 HD1 HIS 87 HD1 HIS 87 94.107 8.894 -5.377 666 HD2 HIS 87 HD2 HIS 87 97.384 10.963 -3.836 667 HE1 HIS 87 HE1 HIS 87 93.233 11.138 -4.582 668 H THR 88 HN THR 88 95.220 8.106 -2.176 669 HA THR 88 HA THR 88 97.174 9.755 -0.669 670 HB THR 88 HB THR 88 94.194 9.413 -0.192 671 HG1 THR 88 HG1 THR 88 93.974 10.689 -1.827 672 1HG2 THR 88 HG22 THR 88 96.250 11.410 0.788 673 2HG2 THR 88 HG21 THR 88 94.510 11.646 0.944 674 3HG2 THR 88 HG23 THR 88 95.294 10.296 1.767 675 H SER 89 HN SER 89 98.100 9.067 1.150 676 HA SER 89 HA SER 89 97.537 6.384 2.118 677 1HB SER 89 2HB SER 89 99.447 6.663 3.484 678 2HB SER 89 3HB SER 89 99.810 7.618 2.047 679 HG SER 89 HG SER 89 98.535 9.256 3.561 680 H LEU 90 HN LEU 90 96.244 5.836 3.787 681 HA LEU 90 HA LEU 90 94.509 7.802 4.991 682 1HB LEU 90 2HB LEU 90 95.054 4.896 5.620 683 2HB LEU 90 3HB LEU 90 93.796 5.836 6.416 684 HG LEU 90 HG LEU 90 93.996 5.454 3.411 685 1HD1 LEU 90 HD12 LEU 90 93.392 3.474 5.173 686 2HD1 LEU 90 HD11 LEU 90 91.803 4.210 4.960 687 3HD1 LEU 90 HD13 LEU 90 92.682 3.593 3.562 688 1HD2 LEU 90 HD23 LEU 90 92.084 6.814 5.278 689 2HD2 LEU 90 HD22 LEU 90 92.674 7.346 3.701 690 3HD2 LEU 90 HD21 LEU 90 91.459 6.073 3.804 691 H VAL 91 HN VAL 91 97.670 6.668 5.793 692 HA VAL 91 HA VAL 91 98.051 6.629 8.479 693 HB VAL 91 HB VAL 91 99.860 6.890 6.707 694 1HG1 VAL 91 HG13 VAL 91 98.836 9.057 5.837 695 2HG1 VAL 91 HG12 VAL 91 99.495 9.834 7.276 696 3HG1 VAL 91 HG11 VAL 91 100.580 9.091 6.103 697 1HG2 VAL 91 HG21 VAL 91 100.327 6.850 9.149 698 2HG2 VAL 91 HG23 VAL 91 101.440 7.917 8.293 699 3HG2 VAL 91 HG22 VAL 91 100.091 8.597 9.203 700 H GLN 92 HN GLN 92 97.415 9.653 6.709 701 HA GLN 92 HA GLN 92 97.570 11.542 8.711 702 1HB GLN 92 2HB GLN 92 96.936 12.001 6.360 703 2HB GLN 92 3HB GLN 92 95.340 11.320 6.674 704 1HG GLN 92 2HG GLN 92 94.863 13.019 8.316 705 2HG GLN 92 3HG GLN 92 96.514 13.628 8.237 706 1HE2 GLN 92 HE22 GLN 92 94.136 14.316 4.953 707 2HE2 GLN 92 HE21 GLN 92 93.970 12.849 5.788 708 H HIS 93 HN HIS 93 95.166 9.014 8.412 709 HA HIS 93 HA HIS 93 93.458 10.199 10.483 710 1HB HIS 93 2HB HIS 93 93.450 7.456 9.175 711 2HB HIS 93 3HB HIS 93 92.238 8.014 10.327 712 HD1 HIS 93 HD1 HIS 93 90.652 9.959 9.554 713 HD2 HIS 93 HD2 HIS 93 93.187 8.534 6.569 714 HE1 HIS 93 HE1 HIS 93 89.776 10.888 7.365 715 H ASN 94 HN ASN 94 94.015 10.091 12.590 716 HA ASN 94 HA ASN 94 94.958 9.332 14.599 717 1HB ASN 94 2HB ASN 94 94.815 6.687 13.115 718 2HB ASN 94 3HB ASN 94 95.208 6.840 14.823 719 1HD2 ASN 94 HD22 ASN 94 91.720 8.492 15.039 720 2HD2 ASN 94 HD21 ASN 94 93.252 9.220 14.986 721 H ASP 95 HN ASP 95 96.541 9.524 11.753 722 HA ASP 95 HA ASP 95 98.796 9.583 11.132 723 1HB ASP 95 2HB ASP 95 98.896 11.038 13.163 724 2HB ASP 95 3HB ASP 95 99.268 9.607 14.126 725 H SER 96 HN SER 96 97.443 6.907 11.832 726 HA SER 96 HA SER 96 99.990 5.382 11.888 727 1HB SER 96 2HB SER 96 97.619 4.915 13.718 728 2HB SER 96 3HB SER 96 98.833 3.679 13.411 729 HG SER 96 HG SER 96 99.762 6.207 14.101 730 H LEU 97 HN LEU 97 97.458 6.094 10.097 731 HA LEU 97 HA LEU 97 96.775 3.295 9.341 732 1HB LEU 97 2HB LEU 97 95.589 5.991 8.663 733 2HB LEU 97 3HB LEU 97 95.192 4.555 7.730 734 HG LEU 97 HG LEU 97 93.655 5.185 9.715 735 1HD1 LEU 97 HD11 LEU 97 94.638 2.611 8.736 736 2HD1 LEU 97 HD13 LEU 97 94.017 2.501 10.382 737 3HD1 LEU 97 HD12 LEU 97 92.986 3.113 9.090 738 1HD2 LEU 97 HD21 LEU 97 95.695 5.455 11.251 739 2HD2 LEU 97 HD23 LEU 97 94.343 4.521 11.888 740 3HD2 LEU 97 HD22 LEU 97 95.771 3.692 11.265 741 H ASN 98 HN ASN 98 99.228 3.334 8.636 742 HA ASN 98 HA ASN 98 99.764 4.812 6.185 743 1HB ASN 98 2HB ASN 98 101.938 3.679 6.281 744 2HB ASN 98 3HB ASN 98 101.495 4.321 7.863 745 1HD2 ASN 98 HD22 ASN 98 101.534 1.192 9.429 746 2HD2 ASN 98 HD21 ASN 98 101.449 2.882 9.577 747 H VAL 99 HN VAL 99 97.908 3.970 4.947 748 HA VAL 99 HA VAL 99 98.724 1.771 3.239 749 HB VAL 99 HB VAL 99 96.465 1.379 5.204 750 1HG1 VAL 99 HG11 VAL 99 96.937 0.152 2.504 751 2HG1 VAL 99 HG13 VAL 99 96.219 -0.822 3.789 752 3HG1 VAL 99 HG12 VAL 99 95.422 0.655 3.249 753 1HG2 VAL 99 HG21 VAL 99 99.079 0.063 4.578 754 2HG2 VAL 99 HG23 VAL 99 98.365 0.439 6.149 755 3HG2 VAL 99 HG22 VAL 99 97.767 -0.921 5.201 756 H THR 100 HN THR 100 97.333 1.591 1.381 757 HA THR 100 HA THR 100 95.267 3.747 1.165 758 HB THR 100 HB THR 100 95.973 4.196 -1.110 759 HG1 THR 100 HG1 THR 100 97.289 2.900 -2.122 760 1HG2 THR 100 HG22 THR 100 97.839 4.482 1.163 761 2HG2 THR 100 HG21 THR 100 98.580 4.674 -0.424 762 3HG2 THR 100 HG23 THR 100 97.228 5.705 0.047 763 H LEU 101 HN LEU 101 93.713 3.291 -0.673 764 HA LEU 101 HA LEU 101 92.993 0.456 -0.643 765 1HB LEU 101 2HB LEU 101 91.798 2.804 -2.153 766 2HB LEU 101 3HB LEU 101 91.071 1.202 -2.018 767 HG LEU 101 HG LEU 101 91.138 1.492 0.498 768 1HD1 LEU 101 HD12 LEU 101 92.179 4.149 -0.375 769 2HD1 LEU 101 HD11 LEU 101 91.131 4.082 1.041 770 3HD1 LEU 101 HD13 LEU 101 92.636 3.166 1.016 771 1HD2 LEU 101 HD21 LEU 101 89.299 2.459 -1.402 772 2HD2 LEU 101 HD23 LEU 101 88.978 2.151 0.305 773 3HD2 LEU 101 HD22 LEU 101 89.465 3.761 -0.224 774 H ALA 102 HN ALA 102 95.270 0.077 -1.665 775 HA ALA 102 HA ALA 102 95.360 0.638 -4.555 776 1HB ALA 102 HB3 ALA 102 97.379 0.894 -3.080 777 2HB ALA 102 HB2 ALA 102 97.378 -0.858 -2.869 778 3HB ALA 102 HB1 ALA 102 97.635 -0.163 -4.468 779 H TYR 103 HN TYR 103 94.605 -2.066 -2.454 780 HA TYR 103 HA TYR 103 94.569 -3.796 -4.884 781 1HB TYR 103 2HB TYR 103 95.182 -4.497 -2.013 782 2HB TYR 103 3HB TYR 103 94.988 -5.689 -3.297 783 HD1 TYR 103 HD1 TYR 103 96.533 -5.629 -5.278 784 HD2 TYR 103 HD2 TYR 103 97.198 -3.216 -1.789 785 HE1 TYR 103 HE1 TYR 103 98.893 -5.295 -5.960 786 HE2 TYR 103 HE2 TYR 103 99.561 -2.887 -2.470 787 HH TYR 103 HH TYR 103 101.247 -4.009 -3.851 788 HA PRO 104 HA PRO 104 90.196 -4.224 -3.970 789 1HB PRO 104 2HB PRO 104 89.614 -6.098 -5.810 790 2HB PRO 104 3HB PRO 104 90.082 -4.447 -6.268 791 1HG PRO 104 2HG PRO 104 91.744 -6.922 -6.231 792 2HG PRO 104 3HG PRO 104 91.625 -5.666 -7.477 793 1HD PRO 104 2HD PRO 104 93.638 -5.750 -5.623 794 2HD PRO 104 3HD PRO 104 93.061 -4.246 -6.370 795 H VAL 105 HN VAL 105 88.743 -5.824 -3.034 796 HA VAL 105 HA VAL 105 90.178 -7.936 -1.556 797 HB VAL 105 HB VAL 105 88.660 -6.365 -0.354 798 1HG1 VAL 105 HG13 VAL 105 86.754 -7.402 -2.377 799 2HG1 VAL 105 HG12 VAL 105 86.125 -7.294 -0.736 800 3HG1 VAL 105 HG11 VAL 105 86.765 -5.864 -1.533 801 1HG2 VAL 105 HG23 VAL 105 89.023 -9.018 0.081 802 2HG2 VAL 105 HG22 VAL 105 88.071 -7.986 1.147 803 3HG2 VAL 105 HG21 VAL 105 87.269 -8.968 -0.077 804 H TYR 106 HN TYR 106 87.777 -7.737 -4.133 805 HA TYR 106 HA TYR 106 87.812 -10.711 -4.125 806 1HB TYR 106 2HB TYR 106 85.694 -9.889 -3.151 807 2HB TYR 106 3HB TYR 106 85.378 -8.991 -4.639 808 HD1 TYR 106 HD2 TYR 106 86.235 -12.434 -3.453 809 HD2 TYR 106 HD1 TYR 106 84.205 -10.020 -6.366 810 HE1 TYR 106 HE2 TYR 106 85.329 -14.483 -4.511 811 HE2 TYR 106 HE1 TYR 106 83.298 -12.066 -7.433 812 HH TYR 106 HH TYR 106 84.495 -15.065 -6.960 813 H ALA 107 HN ALA 107 89.561 -9.919 -5.788 814 HA ALA 107 HA ALA 107 88.331 -9.253 -8.410 815 1HB ALA 107 HB3 ALA 107 90.795 -8.636 -7.319 816 2HB ALA 107 HB2 ALA 107 91.191 -9.987 -8.377 817 3HB ALA 107 HB1 ALA 107 90.409 -8.552 -9.037 818 H GLN 108 HN GLN 108 88.149 -10.755 -10.104 819 HA GLN 108 HA GLN 108 87.973 -13.529 -9.450 820 1HB GLN 108 2HB GLN 108 87.626 -13.909 -11.807 821 2HB GLN 108 3HB GLN 108 86.825 -12.394 -11.391 822 1HG GLN 108 2HG GLN 108 88.782 -11.133 -12.221 823 2HG GLN 108 3HG GLN 108 89.581 -12.649 -12.638 824 1HE2 GLN 108 HE22 GLN 108 87.878 -12.970 -15.694 825 2HE2 GLN 108 HE21 GLN 108 89.130 -13.509 -14.683 826 H GLN 109 HN GLN 109 89.465 -15.180 -9.571 827 HA GLN 109 HA GLN 109 92.257 -14.401 -10.255 828 1HB GLN 109 2HB GLN 109 91.722 -15.449 -8.015 829 2HB GLN 109 3HB GLN 109 91.299 -16.927 -8.881 830 1HG GLN 109 2HG GLN 109 93.557 -17.052 -9.824 831 2HG GLN 109 3HG GLN 109 93.990 -15.533 -9.042 832 1HE2 GLN 109 HE22 GLN 109 95.260 -17.970 -6.658 833 2HE2 GLN 109 HE21 GLN 109 95.704 -17.186 -8.095 834 H ARG 110 HN ARG 110 89.578 -15.962 -11.557 835 HA ARG 110 HA ARG 110 90.956 -18.052 -13.044 836 1HB ARG 110 2HB ARG 110 88.515 -18.155 -12.496 837 2HB ARG 110 3HB ARG 110 88.248 -16.802 -13.595 838 1HG ARG 110 2HG ARG 110 87.894 -18.514 -15.083 839 2HG ARG 110 3HG ARG 110 89.642 -18.383 -15.239 840 1HD ARG 110 2HD ARG 110 89.957 -20.177 -13.606 841 2HD ARG 110 3HD ARG 110 88.216 -20.266 -13.349 842 HE ARG 110 HE ARG 110 88.522 -20.649 -16.083 843 1HH1 ARG 110 HH21 ARG 110 89.791 -22.090 -13.197 844 2HH1 ARG 110 HH22 ARG 110 89.936 -23.667 -13.902 845 1HH2 ARG 110 HH11 ARG 110 88.673 -22.712 -16.984 846 2HH2 ARG 110 HH12 ARG 110 89.326 -24.012 -16.044 847 H ARG 111 HN ARG 111 92.008 -17.824 -14.969 848 HA ARG 111 HA ARG 111 92.952 -16.691 -16.813 849 1HB ARG 111 2HB ARG 111 90.048 -15.820 -16.911 850 2HB ARG 111 3HB ARG 111 91.208 -15.458 -18.194 851 1HG ARG 111 2HG ARG 111 91.667 -17.904 -18.411 852 2HG ARG 111 3HG ARG 111 90.403 -18.211 -17.225 853 1HD ARG 111 2HD ARG 111 89.957 -16.695 -19.805 854 2HD ARG 111 3HD ARG 111 89.589 -18.407 -19.590 855 HE ARG 111 HE ARG 111 88.264 -17.146 -17.492 856 1HH1 ARG 111 HH21 ARG 111 88.400 -16.794 -20.917 857 2HH1 ARG 111 HH22 ARG 111 86.755 -16.277 -21.058 858 1HH2 ARG 111 HH11 ARG 111 86.101 -16.491 -17.671 859 2HH2 ARG 111 HH12 ARG 111 85.455 -16.118 -19.234 No H/Q in entry = 859 Start of MODEL 25 1 1H GLU 1 HT3 GLU 1 93.545 -3.960 -18.014 2 2H GLU 1 HT2 GLU 1 93.304 -4.677 -19.533 3 3H GLU 1 HT1 GLU 1 94.869 -4.550 -18.888 4 HA GLU 1 HA GLU 1 95.157 -2.508 -19.674 5 1HB GLU 1 2HB GLU 1 93.984 -3.532 -21.612 6 2HB GLU 1 3HB GLU 1 92.443 -2.959 -20.962 7 1HG GLU 1 2HG GLU 1 93.239 -1.363 -22.629 8 2HG GLU 1 3HG GLU 1 93.338 -0.625 -21.028 9 H ASP 2 HN ASP 2 91.679 -2.697 -18.862 10 HA ASP 2 HA ASP 2 91.666 0.089 -17.995 11 1HB ASP 2 2HB ASP 2 89.355 -0.350 -17.328 12 2HB ASP 2 3HB ASP 2 89.634 -1.037 -18.925 13 H LEU 3 HN LEU 3 90.870 0.535 -15.640 14 HA LEU 3 HA LEU 3 92.681 -0.958 -13.846 15 1HB LEU 3 2HB LEU 3 90.980 1.510 -13.379 16 2HB LEU 3 3HB LEU 3 92.121 0.838 -12.218 17 HG LEU 3 HG LEU 3 92.949 1.652 -15.011 18 1HD1 LEU 3 HD11 LEU 3 92.824 3.268 -12.457 19 2HD1 LEU 3 HD13 LEU 3 93.905 3.690 -13.787 20 3HD1 LEU 3 HD12 LEU 3 92.159 3.682 -14.039 21 1HD2 LEU 3 HD22 LEU 3 94.218 0.304 -12.829 22 2HD2 LEU 3 HD21 LEU 3 94.932 0.798 -14.365 23 3HD2 LEU 3 HD23 LEU 3 94.964 1.896 -12.985 24 HA PRO 4 HA PRO 4 89.517 -3.684 -12.215 25 1HB PRO 4 2HB PRO 4 90.803 -3.143 -9.595 26 2HB PRO 4 3HB PRO 4 90.513 -4.690 -10.404 27 1HG PRO 4 2HG PRO 4 92.940 -3.482 -10.225 28 2HG PRO 4 3HG PRO 4 92.489 -4.621 -11.498 29 1HD PRO 4 2HD PRO 4 92.942 -1.732 -11.683 30 2HD PRO 4 3HD PRO 4 92.840 -2.937 -12.981 31 H HIS 5 HN HIS 5 90.178 -0.504 -11.034 32 HA HIS 5 HA HIS 5 88.144 -0.300 -9.038 33 1HB HIS 5 2HB HIS 5 89.372 1.837 -10.803 34 2HB HIS 5 3HB HIS 5 88.464 2.133 -9.316 35 HD1 HIS 5 HD1 HIS 5 89.523 0.340 -7.277 36 HD2 HIS 5 HD2 HIS 5 92.067 1.872 -10.206 37 HE1 HIS 5 HE1 HIS 5 91.877 0.128 -6.368 38 H HIS 6 HN HIS 6 88.005 -0.463 -12.443 39 HA HIS 6 HA HIS 6 85.608 1.031 -12.944 40 1HB HIS 6 2HB HIS 6 86.899 -1.323 -14.345 41 2HB HIS 6 3HB HIS 6 85.477 -0.481 -14.977 42 HD1 HIS 6 HD1 HIS 6 87.461 -0.013 -16.932 43 HD2 HIS 6 HD2 HIS 6 87.662 2.128 -13.362 44 HE1 HIS 6 HE1 HIS 6 88.889 2.028 -17.399 45 H ASP 7 HN ASP 7 86.219 -2.308 -11.933 46 HA ASP 7 HA ASP 7 83.319 -2.877 -11.926 47 1HB ASP 7 2HB ASP 7 85.756 -4.623 -11.514 48 2HB ASP 7 3HB ASP 7 84.104 -5.213 -11.336 49 H GLU 8 HN GLU 8 82.142 -2.855 -10.083 50 HA GLU 8 HA GLU 8 83.312 -2.008 -7.571 51 1HB GLU 8 2HB GLU 8 80.545 -2.962 -8.344 52 2HB GLU 8 3HB GLU 8 80.955 -2.440 -6.715 53 1HG GLU 8 2HG GLU 8 81.691 -0.249 -7.620 54 2HG GLU 8 3HG GLU 8 81.197 -0.774 -9.230 55 H LYS 9 HN LYS 9 82.335 -5.075 -8.950 56 HA LYS 9 HA LYS 9 82.246 -6.640 -6.585 57 1HB LYS 9 2HB LYS 9 82.742 -8.544 -8.117 58 2HB LYS 9 3HB LYS 9 81.468 -7.483 -8.733 59 1HG LYS 9 2HG LYS 9 82.672 -6.948 -10.554 60 2HG LYS 9 3HG LYS 9 84.067 -6.519 -9.572 61 1HD LYS 9 2HD LYS 9 83.557 -9.434 -9.869 62 2HD LYS 9 3HD LYS 9 84.054 -8.585 -11.327 63 1HE LYS 9 2HE LYS 9 86.137 -8.128 -10.534 64 2HE LYS 9 3HE LYS 9 85.582 -7.910 -8.874 65 1HZ LYS 9 HZ1 LYS 9 85.780 -10.533 -10.252 66 2HZ LYS 9 HZ3 LYS 9 86.967 -9.909 -9.215 67 3HZ LYS 9 HZ2 LYS 9 85.419 -10.267 -8.612 68 H THR 10 HN THR 10 84.986 -5.335 -8.329 69 HA THR 10 HA THR 10 86.931 -7.186 -7.297 70 HB THR 10 HB THR 10 88.595 -5.454 -7.988 71 HG1 THR 10 HG1 THR 10 87.765 -3.593 -8.996 72 1HG2 THR 10 HG22 THR 10 86.361 -6.075 -9.931 73 2HG2 THR 10 HG21 THR 10 87.963 -5.504 -10.399 74 3HG2 THR 10 HG23 THR 10 87.783 -7.070 -9.609 75 H TRP 11 HN TRP 11 85.465 -4.297 -5.959 76 HA TRP 11 HA TRP 11 87.025 -4.801 -3.457 77 1HB TRP 11 2HB TRP 11 86.473 -2.156 -3.234 78 2HB TRP 11 3HB TRP 11 87.976 -2.766 -3.933 79 HD1 TRP 11 HD1 TRP 11 87.950 -3.097 -6.650 80 HE1 TRP 11 HE1 TRP 11 86.796 -1.702 -8.472 81 HE3 TRP 11 HE3 TRP 11 84.542 -0.617 -3.788 82 HZ2 TRP 11 HZ2 TRP 11 84.716 0.272 -8.673 83 HZ3 TRP 11 HZ3 TRP 11 82.992 1.024 -4.817 84 HH2 TRP 11 HH2 TRP 11 83.077 1.469 -7.252 85 H ASN 12 HN ASN 12 83.999 -4.036 -4.999 86 HA ASN 12 HA ASN 12 82.616 -3.382 -2.514 87 1HB ASN 12 2HB ASN 12 81.961 -2.502 -4.782 88 2HB ASN 12 3HB ASN 12 81.372 -4.123 -5.164 89 1HD2 ASN 12 HD22 ASN 12 78.272 -3.092 -3.781 90 2HD2 ASN 12 HD21 ASN 12 79.098 -3.604 -5.174 91 H VAL 13 HN VAL 13 81.800 -4.729 -1.122 92 HA VAL 13 HA VAL 13 81.006 -7.462 -1.997 93 HB VAL 13 HB VAL 13 82.548 -6.761 0.523 94 1HG1 VAL 13 HG11 VAL 13 80.800 -8.964 -0.135 95 2HG1 VAL 13 HG13 VAL 13 82.448 -9.551 0.086 96 3HG1 VAL 13 HG12 VAL 13 81.651 -8.644 1.373 97 1HG2 VAL 13 HG22 VAL 13 83.301 -8.297 -1.984 98 2HG2 VAL 13 HG21 VAL 13 84.016 -6.790 -1.416 99 3HG2 VAL 13 HG23 VAL 13 84.270 -8.284 -0.516 100 H GLY 14 HN GLY 14 79.487 -5.007 -1.585 101 1HA GLY 14 2HA GLY 14 78.199 -4.594 0.816 102 2HA GLY 14 3HA GLY 14 77.340 -4.554 -0.725 103 H SER 15 HN SER 15 75.801 -5.359 1.243 104 HA SER 15 HA SER 15 74.424 -7.118 1.953 105 1HB SER 15 2HB SER 15 74.373 -7.624 -0.506 106 2HB SER 15 3HB SER 15 75.775 -8.663 -0.285 107 HG SER 15 HG SER 15 74.227 -9.516 1.517 108 H SER 16 HN SER 16 77.234 -6.744 2.927 109 HA SER 16 HA SER 16 77.589 -9.507 4.002 110 1HB SER 16 2HB SER 16 79.762 -7.561 3.182 111 2HB SER 16 3HB SER 16 80.046 -9.072 4.042 112 HG SER 16 HG SER 16 78.620 -9.850 2.105 113 H ASN 17 HN ASN 17 77.841 -9.616 6.186 114 HA ASN 17 HA ASN 17 77.366 -7.192 7.746 115 1HB ASN 17 2HB ASN 17 77.277 -8.740 9.653 116 2HB ASN 17 3HB ASN 17 76.313 -9.360 8.316 117 1HD2 ASN 17 HD22 ASN 17 78.079 -12.388 8.486 118 2HD2 ASN 17 HD21 ASN 17 76.577 -11.601 8.435 119 H ARG 18 HN ARG 18 78.787 -6.788 9.727 120 HA ARG 18 HA ARG 18 81.466 -6.267 8.882 121 1HB ARG 18 2HB ARG 18 80.198 -6.287 11.626 122 2HB ARG 18 3HB ARG 18 81.857 -5.770 11.330 123 1HG ARG 18 2HG ARG 18 81.009 -4.104 9.695 124 2HG ARG 18 3HG ARG 18 79.364 -4.565 10.106 125 1HD ARG 18 2HD ARG 18 79.896 -3.999 12.507 126 2HD ARG 18 3HD ARG 18 81.429 -3.331 11.951 127 HE ARG 18 HE ARG 18 78.899 -2.005 11.883 128 1HH1 ARG 18 HH21 ARG 18 81.612 -2.640 9.834 129 2HH1 ARG 18 HH22 ARG 18 81.243 -1.350 8.741 130 1HH2 ARG 18 HH11 ARG 18 78.420 -0.328 10.464 131 2HH2 ARG 18 HH12 ARG 18 79.450 -0.042 9.102 132 H ASN 19 HN ASN 19 80.020 -8.943 10.657 133 HA ASN 19 HA ASN 19 82.461 -10.086 11.623 134 1HB ASN 19 2HB ASN 19 79.793 -11.351 10.930 135 2HB ASN 19 3HB ASN 19 81.117 -12.227 11.698 136 1HD2 ASN 19 HD22 ASN 19 80.852 -9.907 14.638 137 2HD2 ASN 19 HD21 ASN 19 82.069 -10.225 13.498 138 H LYS 20 HN LYS 20 80.575 -10.686 8.653 139 HA LYS 20 HA LYS 20 82.318 -12.665 7.558 140 1HB LYS 20 2HB LYS 20 80.018 -12.134 6.693 141 2HB LYS 20 3HB LYS 20 80.666 -10.631 6.034 142 1HG LYS 20 2HG LYS 20 82.187 -11.839 4.587 143 2HG LYS 20 3HG LYS 20 81.747 -13.373 5.332 144 1HD LYS 20 2HD LYS 20 79.609 -11.668 4.096 145 2HD LYS 20 3HD LYS 20 80.626 -12.674 3.062 146 1HE LYS 20 2HE LYS 20 79.275 -13.816 5.506 147 2HE LYS 20 3HE LYS 20 78.438 -13.722 3.958 148 1HZ LYS 20 HZ1 LYS 20 80.664 -14.795 3.124 149 2HZ LYS 20 HZ3 LYS 20 80.752 -15.340 4.726 150 3HZ LYS 20 HZ2 LYS 20 79.415 -15.751 3.764 151 H ALA 21 HN ALA 21 82.285 -9.119 7.309 152 HA ALA 21 HA ALA 21 84.360 -8.889 5.382 153 1HB ALA 21 HB3 ALA 21 83.484 -7.041 7.621 154 2HB ALA 21 HB2 ALA 21 84.723 -6.599 6.444 155 3HB ALA 21 HB1 ALA 21 83.079 -6.931 5.910 156 H GLU 22 HN GLU 22 84.502 -9.260 8.918 157 HA GLU 22 HA GLU 22 87.300 -8.810 9.220 158 1HB GLU 22 2HB GLU 22 85.559 -9.099 11.064 159 2HB GLU 22 3HB GLU 22 85.684 -10.835 10.781 160 1HG GLU 22 2HG GLU 22 87.985 -10.876 11.409 161 2HG GLU 22 3HG GLU 22 88.102 -9.117 11.351 162 H ASN 23 HN ASN 23 85.480 -11.783 8.496 163 HA ASN 23 HA ASN 23 87.708 -13.561 8.377 164 1HB ASN 23 2HB ASN 23 85.016 -13.598 6.976 165 2HB ASN 23 3HB ASN 23 86.169 -14.930 6.903 166 1HD2 ASN 23 HD22 ASN 23 83.729 -14.767 10.034 167 2HD2 ASN 23 HD21 ASN 23 83.447 -14.007 8.540 168 H LEU 24 HN LEU 24 86.148 -11.449 6.015 169 HA LEU 24 HA LEU 24 87.826 -12.286 3.802 170 1HB LEU 24 2HB LEU 24 86.047 -9.866 4.224 171 2HB LEU 24 3HB LEU 24 86.919 -10.183 2.720 172 HG LEU 24 HG LEU 24 84.931 -12.078 4.013 173 1HD1 LEU 24 HD13 LEU 24 84.184 -9.816 2.839 174 2HD1 LEU 24 HD12 LEU 24 84.524 -10.731 1.367 175 3HD1 LEU 24 HD11 LEU 24 83.325 -11.323 2.515 176 1HD2 LEU 24 HD22 LEU 24 86.780 -12.213 1.675 177 2HD2 LEU 24 HD21 LEU 24 86.261 -13.495 2.770 178 3HD2 LEU 24 HD23 LEU 24 85.181 -12.935 1.491 179 H LEU 25 HN LEU 25 87.986 -9.816 6.307 180 HA LEU 25 HA LEU 25 90.360 -8.573 5.053 181 1HB LEU 25 2HB LEU 25 88.880 -8.049 7.648 182 2HB LEU 25 3HB LEU 25 90.307 -7.154 7.148 183 HG LEU 25 HG LEU 25 88.071 -7.359 5.182 184 1HD1 LEU 25 HD11 LEU 25 87.080 -6.839 7.493 185 2HD1 LEU 25 HD13 LEU 25 87.996 -5.334 7.428 186 3HD1 LEU 25 HD12 LEU 25 86.754 -5.664 6.221 187 1HD2 LEU 25 HD21 LEU 25 90.165 -5.328 5.993 188 2HD2 LEU 25 HD23 LEU 25 89.928 -6.100 4.422 189 3HD2 LEU 25 HD22 LEU 25 88.796 -4.870 4.981 190 H ARG 26 HN ARG 26 89.626 -11.177 7.065 191 HA ARG 26 HA ARG 26 92.155 -11.075 8.578 192 1HB ARG 26 2HB ARG 26 89.689 -12.780 8.628 193 2HB ARG 26 3HB ARG 26 91.197 -13.496 9.212 194 1HG ARG 26 2HG ARG 26 91.476 -11.587 10.776 195 2HG ARG 26 3HG ARG 26 89.947 -10.914 10.205 196 1HD ARG 26 2HD ARG 26 88.777 -12.974 10.948 197 2HD ARG 26 3HD ARG 26 90.303 -13.615 11.547 198 HE ARG 26 HE ARG 26 90.043 -11.154 12.821 199 1HH1 ARG 26 HH21 ARG 26 88.199 -14.057 12.494 200 2HH1 ARG 26 HH22 ARG 26 87.376 -13.860 14.007 201 1HH2 ARG 26 HH11 ARG 26 88.981 -10.891 14.804 202 2HH2 ARG 26 HH12 ARG 26 87.811 -12.066 15.311 203 H GLY 27 HN GLY 27 93.982 -11.850 7.673 204 1HA GLY 27 2HA GLY 27 95.282 -13.624 6.651 205 2HA GLY 27 3HA GLY 27 93.813 -14.207 5.868 206 H LYS 28 HN LYS 28 93.593 -10.996 5.473 207 HA LYS 28 HA LYS 28 94.635 -11.143 2.737 208 1HB LYS 28 2HB LYS 28 93.097 -9.010 4.235 209 2HB LYS 28 3HB LYS 28 93.594 -8.855 2.553 210 1HG LYS 28 2HG LYS 28 91.794 -11.016 3.683 211 2HG LYS 28 3HG LYS 28 91.281 -9.649 2.691 212 1HD LYS 28 2HD LYS 28 93.277 -10.736 1.154 213 2HD LYS 28 3HD LYS 28 92.565 -12.175 1.885 214 1HE LYS 28 2HE LYS 28 90.343 -11.488 1.108 215 2HE LYS 28 3HE LYS 28 91.030 -10.006 0.433 216 1HZ LYS 28 HZ1 LYS 28 92.093 -12.639 -0.347 217 2HZ LYS 28 HZ3 LYS 28 90.707 -12.021 -1.103 218 3HZ LYS 28 HZ2 LYS 28 92.168 -11.163 -1.185 219 H ARG 29 HN ARG 29 96.169 -9.692 1.917 220 HA ARG 29 HA ARG 29 98.257 -8.936 3.826 221 1HB ARG 29 2HB ARG 29 98.083 -8.601 0.820 222 2HB ARG 29 3HB ARG 29 99.524 -8.315 1.789 223 1HG ARG 29 2HG ARG 29 98.046 -10.953 1.686 224 2HG ARG 29 3HG ARG 29 99.465 -10.583 0.707 225 1HD ARG 29 2HD ARG 29 100.575 -9.969 2.984 226 2HD ARG 29 3HD ARG 29 99.273 -10.918 3.700 227 HE ARG 29 HE ARG 29 101.616 -11.981 2.480 228 1HH1 ARG 29 HH21 ARG 29 98.195 -12.376 2.440 229 2HH1 ARG 29 HH22 ARG 29 98.256 -13.940 1.701 230 1HH2 ARG 29 HH11 ARG 29 101.718 -14.009 1.526 231 2HH2 ARG 29 HH12 ARG 29 100.257 -14.872 1.189 232 H ASP 30 HN ASP 30 99.134 -6.769 4.000 233 HA ASP 30 HA ASP 30 97.239 -4.691 4.349 234 1HB ASP 30 2HB ASP 30 99.605 -4.775 5.274 235 2HB ASP 30 3HB ASP 30 100.172 -4.289 3.675 236 H GLY 31 HN GLY 31 96.460 -3.097 2.957 237 1HA GLY 31 2HA GLY 31 96.588 -1.757 0.911 238 2HA GLY 31 3HA GLY 31 97.542 -3.051 0.175 239 H THR 32 HN THR 32 95.478 -4.919 1.617 240 HA THR 32 HA THR 32 93.652 -5.033 -0.693 241 HB THR 32 HB THR 32 93.762 -6.840 1.726 242 HG1 THR 32 HG1 THR 32 95.218 -8.007 0.677 243 1HG2 THR 32 HG22 THR 32 91.966 -6.633 -0.466 244 2HG2 THR 32 HG21 THR 32 92.915 -8.098 -0.702 245 3HG2 THR 32 HG23 THR 32 92.005 -7.868 0.789 246 H PHE 33 HN PHE 33 91.701 -3.998 -0.625 247 HA PHE 33 HA PHE 33 90.365 -3.832 2.019 248 1HB PHE 33 2HB PHE 33 90.238 -1.575 2.075 249 2HB PHE 33 3HB PHE 33 91.664 -1.664 1.050 250 HD1 PHE 33 HD1 PHE 33 91.327 -1.519 -1.494 251 HD2 PHE 33 HD2 PHE 33 88.221 -0.705 1.350 252 HE1 PHE 33 HE1 PHE 33 90.030 -0.296 -3.221 253 HE2 PHE 33 HE2 PHE 33 86.944 0.498 -0.396 254 HZ PHE 33 HZ PHE 33 87.839 0.698 -2.666 255 H LEU 34 HN LEU 34 88.038 -3.124 1.781 256 HA LEU 34 HA LEU 34 86.889 -3.830 -0.868 257 1HB LEU 34 2HB LEU 34 85.364 -5.464 0.101 258 2HB LEU 34 3HB LEU 34 87.021 -5.921 0.473 259 HG LEU 34 HG LEU 34 85.932 -4.166 2.526 260 1HD1 LEU 34 HD12 LEU 34 84.399 -6.616 1.693 261 2HD1 LEU 34 HD11 LEU 34 84.475 -6.173 3.397 262 3HD1 LEU 34 HD13 LEU 34 83.779 -5.053 2.226 263 1HD2 LEU 34 HD21 LEU 34 87.116 -6.955 2.412 264 2HD2 LEU 34 HD23 LEU 34 87.902 -5.472 2.957 265 3HD2 LEU 34 HD22 LEU 34 86.617 -6.197 3.924 266 H VAL 35 HN VAL 35 84.652 -3.147 -1.105 267 HA VAL 35 HA VAL 35 83.938 -0.958 0.791 268 HB VAL 35 HB VAL 35 83.304 -1.380 -2.148 269 1HG1 VAL 35 HG12 VAL 35 81.849 0.116 -0.076 270 2HG1 VAL 35 HG11 VAL 35 82.286 1.082 -1.488 271 3HG1 VAL 35 HG13 VAL 35 81.323 -0.385 -1.683 272 1HG2 VAL 35 HG22 VAL 35 84.786 0.727 -0.555 273 2HG2 VAL 35 HG21 VAL 35 85.453 -0.350 -1.781 274 3HG2 VAL 35 HG23 VAL 35 84.338 0.936 -2.247 275 H ARG 36 HN ARG 36 82.207 -1.334 2.070 276 HA ARG 36 HA ARG 36 80.055 -3.152 1.105 277 1HB ARG 36 2HB ARG 36 79.988 -4.182 3.407 278 2HB ARG 36 3HB ARG 36 81.446 -4.573 2.496 279 1HG ARG 36 2HG ARG 36 82.467 -3.914 4.440 280 2HG ARG 36 3HG ARG 36 82.296 -2.323 3.704 281 1HD ARG 36 2HD ARG 36 81.498 -2.297 6.031 282 2HD ARG 36 3HD ARG 36 80.169 -1.994 4.913 283 HE ARG 36 HE ARG 36 80.075 -4.727 5.296 284 1HH1 ARG 36 HH21 ARG 36 80.173 -1.905 7.260 285 2HH1 ARG 36 HH22 ARG 36 79.285 -2.617 8.570 286 1HH2 ARG 36 HH11 ARG 36 78.919 -5.687 6.975 287 2HH2 ARG 36 HH12 ARG 36 78.568 -4.773 8.405 288 H GLU 37 HN GLU 37 78.178 -3.006 2.961 289 HA GLU 37 HA GLU 37 77.786 -0.082 3.328 290 1HB GLU 37 2HB GLU 37 75.919 -1.001 2.198 291 2HB GLU 37 3HB GLU 37 75.929 -2.459 3.193 292 1HG GLU 37 2HG GLU 37 75.090 -1.270 5.090 293 2HG GLU 37 3HG GLU 37 75.354 0.286 4.312 294 H SER 38 HN SER 38 76.732 0.563 5.458 295 HA SER 38 HA SER 38 78.193 -0.722 7.653 296 1HB SER 38 2HB SER 38 75.971 1.348 7.766 297 2HB SER 38 3HB SER 38 77.035 0.899 9.096 298 HG SER 38 HG SER 38 77.527 2.830 7.633 299 H SER 39 HN SER 39 76.458 -2.271 6.042 300 HA SER 39 HA SER 39 74.955 -3.994 6.201 301 1HB SER 39 2HB SER 39 75.054 -3.365 9.175 302 2HB SER 39 3HB SER 39 74.349 -4.812 8.459 303 HG SER 39 HG SER 39 76.922 -4.264 9.027 304 H LYS 40 HN LYS 40 74.324 -0.829 7.277 305 HA LYS 40 HA LYS 40 71.389 -1.297 7.356 306 1HB LYS 40 2HB LYS 40 72.413 0.107 9.157 307 2HB LYS 40 3HB LYS 40 72.929 1.255 7.916 308 1HG LYS 40 2HG LYS 40 70.672 1.787 7.335 309 2HG LYS 40 3HG LYS 40 70.041 0.420 8.251 310 1HD LYS 40 2HD LYS 40 69.690 2.466 9.536 311 2HD LYS 40 3HD LYS 40 70.899 1.474 10.348 312 1HE LYS 40 2HE LYS 40 72.701 2.810 9.372 313 2HE LYS 40 3HE LYS 40 71.535 3.764 8.466 314 1HZ LYS 40 HZ3 LYS 40 71.400 3.566 11.411 315 2HZ LYS 40 HZ2 LYS 40 72.421 4.694 10.652 316 3HZ LYS 40 HZ1 LYS 40 70.742 4.756 10.396 317 H GLN 41 HN GLN 41 70.229 -0.896 5.553 318 HA GLN 41 HA GLN 41 71.300 -0.301 3.052 319 1HB GLN 41 2HB GLN 41 69.005 -1.159 3.442 320 2HB GLN 41 3HB GLN 41 68.523 0.445 4.004 321 1HG GLN 41 2HG GLN 41 69.147 1.407 1.827 322 2HG GLN 41 3HG GLN 41 69.652 -0.183 1.259 323 1HE2 GLN 41 HE22 GLN 41 66.368 -1.233 0.494 324 2HE2 GLN 41 HE21 GLN 41 68.019 -1.621 0.505 325 H GLY 42 HN GLY 42 71.925 1.514 1.994 326 1HA GLY 42 2HA GLY 42 71.924 3.833 1.451 327 2HA GLY 42 3HA GLY 42 71.043 4.166 2.941 328 H CYS 43 HN CYS 43 73.544 2.096 3.708 329 HA CYS 43 HA CYS 43 75.244 4.437 4.452 330 1HB CYS 43 2HB CYS 43 74.904 1.767 5.840 331 2HB CYS 43 3HB CYS 43 76.059 3.005 6.331 332 HG CYS 43 HG CYS 43 73.905 4.620 6.634 333 H TYR 44 HN TYR 44 77.546 4.211 4.228 334 HA TYR 44 HA TYR 44 78.420 1.851 2.627 335 1HB TYR 44 2HB TYR 44 78.996 4.763 2.027 336 2HB TYR 44 3HB TYR 44 79.835 3.420 1.259 337 HD1 TYR 44 HD1 TYR 44 78.666 1.909 -0.292 338 HD2 TYR 44 HD2 TYR 44 76.652 5.241 1.529 339 HE1 TYR 44 HE1 TYR 44 76.812 1.680 -1.921 340 HE2 TYR 44 HE2 TYR 44 74.798 5.009 -0.104 341 HH TYR 44 HH TYR 44 74.657 3.973 -2.593 342 H ALA 45 HN ALA 45 80.654 1.298 2.868 343 HA ALA 45 HA ALA 45 82.325 2.882 4.678 344 1HB ALA 45 HB1 ALA 45 80.929 0.387 5.538 345 2HB ALA 45 HB3 ALA 45 82.598 0.609 6.062 346 3HB ALA 45 HB2 ALA 45 81.372 1.805 6.485 347 H CYS 46 HN CYS 46 84.486 2.509 4.200 348 HA CYS 46 HA CYS 46 85.037 0.216 2.346 349 1HB CYS 46 2HB CYS 46 86.677 2.751 2.737 350 2HB CYS 46 3HB CYS 46 87.016 1.462 1.569 351 HG CYS 46 HG CYS 46 84.688 2.076 0.414 352 H SER 47 HN SER 47 85.999 -1.454 3.390 353 HA SER 47 HA SER 47 87.503 -0.839 5.886 354 1HB SER 47 2HB SER 47 86.338 -3.423 4.803 355 2HB SER 47 3HB SER 47 87.290 -3.317 6.283 356 HG SER 47 HG SER 47 84.847 -3.118 6.344 357 H VAL 48 HN VAL 48 89.689 -1.166 5.993 358 HA VAL 48 HA VAL 48 90.968 -2.629 3.726 359 HB VAL 48 HB VAL 48 91.410 -0.301 3.283 360 1HG1 VAL 48 HG11 VAL 48 91.144 -0.078 6.099 361 2HG1 VAL 48 HG13 VAL 48 92.754 0.513 5.686 362 3HG1 VAL 48 HG12 VAL 48 91.328 1.228 4.930 363 1HG2 VAL 48 HG23 VAL 48 93.375 -1.923 3.264 364 2HG2 VAL 48 HG22 VAL 48 93.804 -0.221 3.431 365 3HG2 VAL 48 HG21 VAL 48 93.808 -1.275 4.847 366 H VAL 49 HN VAL 49 93.111 -3.472 4.275 367 HA VAL 49 HA VAL 49 93.293 -4.108 7.190 368 HB VAL 49 HB VAL 49 94.284 -5.611 4.762 369 1HG1 VAL 49 HG11 VAL 49 94.932 -5.887 7.686 370 2HG1 VAL 49 HG13 VAL 49 94.966 -7.298 6.626 371 3HG1 VAL 49 HG12 VAL 49 96.029 -5.929 6.303 372 1HG2 VAL 49 HG23 VAL 49 92.193 -6.082 6.878 373 2HG2 VAL 49 HG22 VAL 49 92.006 -6.136 5.127 374 3HG2 VAL 49 HG21 VAL 49 92.873 -7.425 5.962 375 H VAL 50 HN VAL 50 95.187 -3.539 8.274 376 HA VAL 50 HA VAL 50 97.321 -2.339 6.560 377 HB VAL 50 HB VAL 50 96.328 -1.454 9.284 378 1HG1 VAL 50 HG11 VAL 50 98.882 -0.961 7.826 379 2HG1 VAL 50 HG13 VAL 50 98.117 0.443 8.572 380 3HG1 VAL 50 HG12 VAL 50 98.559 -0.949 9.560 381 1HG2 VAL 50 HG22 VAL 50 96.049 -0.539 6.476 382 2HG2 VAL 50 HG21 VAL 50 94.934 -0.367 7.825 383 3HG2 VAL 50 HG23 VAL 50 96.308 0.725 7.679 384 H ASP 51 HN ASP 51 99.470 -2.630 7.283 385 HA ASP 51 HA ASP 51 100.208 -5.147 8.226 386 1HB ASP 51 2HB ASP 51 101.741 -3.431 7.168 387 2HB ASP 51 3HB ASP 51 101.780 -2.613 8.732 388 H GLY 52 HN GLY 52 98.899 -2.562 9.893 389 1HA GLY 52 2HA GLY 52 99.917 -3.465 12.517 390 2HA GLY 52 3HA GLY 52 98.959 -2.010 12.228 391 H GLU 53 HN GLU 53 96.679 -2.729 11.114 392 HA GLU 53 HA GLU 53 95.591 -5.224 12.186 393 1HB GLU 53 2HB GLU 53 93.953 -4.222 13.714 394 2HB GLU 53 3HB GLU 53 95.596 -3.860 14.253 395 1HG GLU 53 2HG GLU 53 95.465 -1.615 13.429 396 2HG GLU 53 3HG GLU 53 93.990 -1.962 12.527 397 H VAL 54 HN VAL 54 93.059 -5.111 11.969 398 HA VAL 54 HA VAL 54 92.547 -4.122 9.246 399 HB VAL 54 HB VAL 54 91.797 -6.399 9.913 400 1HG1 VAL 54 HG12 VAL 54 90.959 -5.061 12.241 401 2HG1 VAL 54 HG11 VAL 54 89.467 -5.527 11.418 402 3HG1 VAL 54 HG13 VAL 54 90.666 -6.752 11.837 403 1HG2 VAL 54 HG22 VAL 54 89.587 -4.406 9.312 404 2HG2 VAL 54 HG21 VAL 54 90.636 -5.180 8.123 405 3HG2 VAL 54 HG23 VAL 54 89.482 -6.146 9.042 406 H LYS 55 HN LYS 55 91.167 -2.437 8.766 407 HA LYS 55 HA LYS 55 89.880 -1.086 11.109 408 1HB LYS 55 2HB LYS 55 91.213 0.225 8.720 409 2HB LYS 55 3HB LYS 55 90.354 1.075 10.005 410 1HG LYS 55 2HG LYS 55 92.282 1.132 11.172 411 2HG LYS 55 3HG LYS 55 92.177 -0.619 11.323 412 1HD LYS 55 2HD LYS 55 93.392 -0.911 9.227 413 2HD LYS 55 3HD LYS 55 93.440 0.838 8.986 414 1HE LYS 55 2HE LYS 55 94.969 -0.844 10.942 415 2HE LYS 55 3HE LYS 55 95.531 0.495 9.948 416 1HZ LYS 55 HZ1 LYS 55 94.120 1.966 11.356 417 2HZ LYS 55 HZ3 LYS 55 93.857 0.647 12.391 418 3HZ LYS 55 HZ2 LYS 55 95.429 1.256 12.172 419 H HIS 56 HN HIS 56 87.989 0.271 10.480 420 HA HIS 56 HA HIS 56 86.647 -0.713 7.988 421 1HB HIS 56 2HB HIS 56 85.385 -0.273 10.710 422 2HB HIS 56 3HB HIS 56 84.527 -0.770 9.251 423 HD1 HIS 56 HD1 HIS 56 85.978 -3.005 8.094 424 HD2 HIS 56 HD2 HIS 56 85.889 -2.501 12.231 425 HE1 HIS 56 HE1 HIS 56 86.506 -5.268 9.103 426 H CYS 57 HN CYS 57 87.416 1.427 7.074 427 HA CYS 57 HA CYS 57 86.643 3.947 8.188 428 1HB CYS 57 2HB CYS 57 87.025 3.188 5.267 429 2HB CYS 57 3HB CYS 57 86.887 4.835 5.862 430 HG CYS 57 HG CYS 57 89.131 4.479 7.184 431 H VAL 58 HN VAL 58 84.754 5.200 7.880 432 HA VAL 58 HA VAL 58 82.466 3.641 6.775 433 HB VAL 58 HB VAL 58 82.496 4.141 9.268 434 1HG1 VAL 58 HG12 VAL 58 83.348 6.567 8.663 435 2HG1 VAL 58 HG11 VAL 58 81.623 6.912 8.509 436 3HG1 VAL 58 HG13 VAL 58 82.272 6.326 10.044 437 1HG2 VAL 58 HG21 VAL 58 80.227 5.254 7.585 438 2HG2 VAL 58 HG23 VAL 58 80.409 3.575 8.096 439 3HG2 VAL 58 HG22 VAL 58 80.103 4.835 9.294 440 H ILE 59 HN ILE 59 81.347 4.499 5.149 441 HA ILE 59 HA ILE 59 81.660 7.408 4.554 442 HB ILE 59 HB ILE 59 81.393 5.084 2.622 443 1HG1 ILE 59 HG12 ILE 59 83.642 6.505 1.935 444 2HG1 ILE 59 HG11 ILE 59 83.655 6.646 3.689 445 1HG2 ILE 59 HG21 ILE 59 80.164 7.182 1.953 446 2HG2 ILE 59 HG23 ILE 59 81.708 8.033 2.002 447 3HG2 ILE 59 HG22 ILE 59 81.462 6.726 0.847 448 1HD1 ILE 59 HD12 ILE 59 83.216 3.967 2.369 449 2HD1 ILE 59 HD11 ILE 59 84.843 4.600 2.607 450 3HD1 ILE 59 HD13 ILE 59 83.800 4.317 3.996 451 H ASN 60 HN ASN 60 79.659 8.460 4.533 452 HA ASN 60 HA ASN 60 77.258 6.672 4.309 453 1HB ASN 60 2HB ASN 60 77.594 9.254 5.865 454 2HB ASN 60 3HB ASN 60 76.042 8.467 5.596 455 1HD2 ASN 60 HD22 ASN 60 77.793 7.277 8.821 456 2HD2 ASN 60 HD21 ASN 60 77.652 8.846 8.188 457 H LYS 61 HN LYS 61 76.186 6.975 2.406 458 HA LYS 61 HA LYS 61 76.770 9.282 0.734 459 1HB LYS 61 2HB LYS 61 76.262 7.109 -0.275 460 2HB LYS 61 3HB LYS 61 74.667 7.119 0.471 461 1HG LYS 61 2HG LYS 61 73.916 8.907 -0.884 462 2HG LYS 61 3HG LYS 61 75.557 9.339 -1.363 463 1HD LYS 61 2HD LYS 61 75.740 7.100 -2.494 464 2HD LYS 61 3HD LYS 61 74.035 6.838 -2.148 465 1HE LYS 61 2HE LYS 61 75.131 9.174 -3.734 466 2HE LYS 61 3HE LYS 61 74.422 7.724 -4.444 467 1HZ LYS 61 HZ3 LYS 61 72.859 9.096 -2.408 468 2HZ LYS 61 HZ2 LYS 61 73.007 9.876 -3.909 469 3HZ LYS 61 HZ1 LYS 61 72.349 8.312 -3.821 470 H THR 62 HN THR 62 76.011 11.200 1.426 471 HA THR 62 HA THR 62 73.122 11.642 1.612 472 HB THR 62 HB THR 62 74.890 12.201 4.021 473 HG1 THR 62 HG1 THR 62 73.447 10.625 4.977 474 1HG2 THR 62 HG23 THR 62 72.154 12.983 3.196 475 2HG2 THR 62 HG22 THR 62 72.328 12.449 4.867 476 3HG2 THR 62 HG21 THR 62 73.288 13.807 4.270 477 H ALA 63 HN ALA 63 72.977 14.163 2.464 478 HA ALA 63 HA ALA 63 74.201 15.748 0.462 479 1HB ALA 63 HB3 ALA 63 72.238 16.227 2.197 480 2HB ALA 63 HB2 ALA 63 73.551 16.933 3.143 481 3HB ALA 63 HB1 ALA 63 73.190 17.558 1.533 482 H THR 64 HN THR 64 75.109 15.210 3.871 483 HA THR 64 HA THR 64 77.931 15.804 3.149 484 HB THR 64 HB THR 64 76.475 17.038 5.509 485 HG1 THR 64 HG1 THR 64 76.777 17.816 2.969 486 1HG2 THR 64 HG21 THR 64 79.275 16.545 4.943 487 2HG2 THR 64 HG23 THR 64 78.954 18.274 5.090 488 3HG2 THR 64 HG22 THR 64 78.529 17.182 6.408 489 H GLY 65 HN GLY 65 76.952 13.242 3.528 490 1HA GLY 65 2HA GLY 65 77.904 12.558 6.282 491 2HA GLY 65 3HA GLY 65 76.664 11.626 5.447 492 H TYR 66 HN TYR 66 78.366 12.112 2.889 493 HA TYR 66 HA TYR 66 79.522 9.669 2.501 494 1HB TYR 66 2HB TYR 66 80.762 12.326 1.757 495 2HB TYR 66 3HB TYR 66 81.231 10.774 1.068 496 HD1 TYR 66 HD1 TYR 66 79.492 9.404 -0.177 497 HD2 TYR 66 HD2 TYR 66 78.850 13.491 0.973 498 HE1 TYR 66 HE1 TYR 66 77.664 9.583 -1.840 499 HE2 TYR 66 HE2 TYR 66 77.016 13.671 -0.688 500 HH TYR 66 HH TYR 66 75.371 11.635 -1.850 501 H GLY 67 HN GLY 67 80.625 12.092 4.709 502 1HA GLY 67 2HA GLY 67 82.032 11.555 6.601 503 2HA GLY 67 3HA GLY 67 82.678 10.190 5.689 504 H PHE 68 HN PHE 68 84.556 10.493 4.517 505 HA PHE 68 HA PHE 68 86.242 12.674 5.053 506 1HB PHE 68 2HB PHE 68 86.191 10.777 2.698 507 2HB PHE 68 3HB PHE 68 87.461 11.975 2.929 508 HD1 PHE 68 HD1 PHE 68 85.855 8.968 4.405 509 HD2 PHE 68 HD2 PHE 68 89.160 11.701 4.575 510 HE1 PHE 68 HE1 PHE 68 87.035 7.442 5.965 511 HE2 PHE 68 HE2 PHE 68 90.344 10.179 6.129 512 HZ PHE 68 HZ PHE 68 89.285 8.049 6.825 513 H ALA 69 HN ALA 69 86.766 14.560 3.936 514 HA ALA 69 HA ALA 69 85.282 15.296 1.498 515 1HB ALA 69 HB2 ALA 69 83.865 15.925 3.564 516 2HB ALA 69 HB1 ALA 69 85.107 17.136 3.895 517 3HB ALA 69 HB3 ALA 69 84.185 17.204 2.392 518 H GLU 70 HN GLU 70 86.546 16.574 0.235 519 HA GLU 70 HA GLU 70 89.032 17.676 1.469 520 1HB GLU 70 2HB GLU 70 88.505 16.574 -1.302 521 2HB GLU 70 3HB GLU 70 89.983 17.433 -0.871 522 1HG GLU 70 2HG GLU 70 90.485 15.774 0.841 523 2HG GLU 70 3HG GLU 70 88.954 14.952 0.528 524 HA PRO 71 HA PRO 71 88.024 21.835 0.433 525 1HB PRO 71 2HB PRO 71 90.468 21.801 -1.305 526 2HB PRO 71 3HB PRO 71 89.967 22.999 -0.093 527 1HG PRO 71 2HG PRO 71 91.856 21.234 0.461 528 2HG PRO 71 3HG PRO 71 90.650 21.689 1.676 529 1HD PRO 71 2HD PRO 71 90.880 19.155 0.122 530 2HD PRO 71 3HD PRO 71 90.223 19.431 1.751 531 H TYR 72 HN TYR 72 86.274 21.949 -0.892 532 HA TYR 72 HA TYR 72 84.961 21.828 -2.839 533 1HB TYR 72 2HB TYR 72 85.895 23.125 -4.710 534 2HB TYR 72 3HB TYR 72 86.227 23.926 -3.176 535 HD1 TYR 72 HD2 TYR 72 88.467 23.896 -2.195 536 HD2 TYR 72 HD1 TYR 72 87.699 22.137 -6.038 537 HE1 TYR 72 HE2 TYR 72 90.901 23.830 -2.651 538 HE2 TYR 72 HE1 TYR 72 90.135 22.074 -6.494 539 HH TYR 72 HH TYR 72 92.158 22.405 -5.669 540 H ASN 73 HN ASN 73 84.676 19.633 -3.275 541 HA ASN 73 HA ASN 73 85.551 18.537 -5.674 542 1HB ASN 73 2HB ASN 73 87.242 16.814 -4.722 543 2HB ASN 73 3HB ASN 73 87.828 18.438 -5.069 544 1HD2 ASN 73 HD22 ASN 73 89.029 18.551 -1.749 545 2HD2 ASN 73 HD21 ASN 73 89.410 18.633 -3.402 546 H LEU 74 HN LEU 74 85.803 16.926 -2.490 547 HA LEU 74 HA LEU 74 84.528 15.161 -1.622 548 1HB LEU 74 2HB LEU 74 82.457 16.783 -3.111 549 2HB LEU 74 3HB LEU 74 82.025 15.332 -2.213 550 HG LEU 74 HG LEU 74 83.645 17.497 -0.896 551 1HD1 LEU 74 HD13 LEU 74 80.843 17.637 -1.771 552 2HD1 LEU 74 HD12 LEU 74 81.037 17.881 -0.033 553 3HD1 LEU 74 HD11 LEU 74 81.893 18.921 -1.171 554 1HD2 LEU 74 HD21 LEU 74 81.727 15.339 0.031 555 2HD2 LEU 74 HD23 LEU 74 83.469 15.376 0.271 556 3HD2 LEU 74 HD22 LEU 74 82.445 16.537 1.102 557 H TYR 75 HN TYR 75 85.803 14.983 -4.387 558 HA TYR 75 HA TYR 75 85.828 13.531 -6.229 559 1HB TYR 75 2HB TYR 75 85.315 11.185 -5.682 560 2HB TYR 75 3HB TYR 75 86.241 11.936 -4.379 561 HD1 TYR 75 HD2 TYR 75 82.904 10.754 -5.428 562 HD2 TYR 75 HD1 TYR 75 85.241 12.408 -2.225 563 HE1 TYR 75 HE2 TYR 75 81.069 10.270 -3.837 564 HE2 TYR 75 HE1 TYR 75 83.400 11.927 -0.636 565 HH TYR 75 HH TYR 75 81.016 9.860 -1.161 566 H SER 76 HN SER 76 84.563 13.779 -7.975 567 HA SER 76 HA SER 76 81.793 14.419 -7.861 568 1HB SER 76 2HB SER 76 81.820 14.289 -10.252 569 2HB SER 76 3HB SER 76 83.414 14.869 -9.775 570 HG SER 76 HG SER 76 82.816 12.722 -11.190 571 H SER 77 HN SER 77 83.421 11.291 -8.391 572 HA SER 77 HA SER 77 80.724 10.026 -8.130 573 1HB SER 77 2HB SER 77 83.018 9.142 -9.903 574 2HB SER 77 3HB SER 77 81.513 8.255 -9.684 575 HG SER 77 HG SER 77 80.688 10.591 -10.262 576 H LEU 78 HN LEU 78 80.704 7.949 -7.052 577 HA LEU 78 HA LEU 78 82.414 7.767 -4.786 578 1HB LEU 78 2HB LEU 78 80.648 5.710 -6.134 579 2HB LEU 78 3HB LEU 78 81.513 5.387 -4.630 580 HG LEU 78 HG LEU 78 79.648 7.741 -4.989 581 1HD1 LEU 78 HD11 LEU 78 78.496 5.519 -5.274 582 2HD1 LEU 78 HD13 LEU 78 79.065 5.078 -3.663 583 3HD1 LEU 78 HD12 LEU 78 77.945 6.429 -3.866 584 1HD2 LEU 78 HD22 LEU 78 81.462 6.795 -2.921 585 2HD2 LEU 78 HD21 LEU 78 80.567 8.312 -3.001 586 3HD2 LEU 78 HD23 LEU 78 79.807 6.876 -2.317 587 H LYS 79 HN LYS 79 82.609 6.246 -7.969 588 HA LYS 79 HA LYS 79 84.666 4.377 -7.399 589 1HB LYS 79 2HB LYS 79 84.018 5.926 -9.915 590 2HB LYS 79 3HB LYS 79 85.221 4.637 -9.850 591 1HG LYS 79 2HG LYS 79 83.524 3.041 -9.114 592 2HG LYS 79 3HG LYS 79 82.312 4.319 -9.055 593 1HD LYS 79 2HD LYS 79 81.927 3.275 -11.141 594 2HD LYS 79 3HD LYS 79 82.882 4.698 -11.552 595 1HE LYS 79 2HE LYS 79 84.934 3.327 -11.561 596 2HE LYS 79 3HE LYS 79 83.985 1.902 -11.146 597 1HZ LYS 79 HZ3 LYS 79 82.715 2.960 -13.321 598 2HZ LYS 79 HZ2 LYS 79 84.363 3.158 -13.683 599 3HZ LYS 79 HZ1 LYS 79 83.749 1.615 -13.320 600 H GLU 80 HN GLU 80 84.829 7.817 -8.320 601 HA GLU 80 HA GLU 80 87.673 7.952 -8.528 602 1HB GLU 80 2HB GLU 80 85.691 10.102 -7.705 603 2HB GLU 80 3HB GLU 80 87.379 10.396 -8.123 604 1HG GLU 80 2HG GLU 80 86.997 9.416 -10.357 605 2HG GLU 80 3HG GLU 80 85.300 9.155 -9.945 606 H LEU 81 HN LEU 81 85.464 8.147 -5.795 607 HA LEU 81 HA LEU 81 87.280 9.064 -3.825 608 1HB LEU 81 2HB LEU 81 84.846 8.835 -3.440 609 2HB LEU 81 3HB LEU 81 85.012 7.079 -3.492 610 HG LEU 81 HG LEU 81 86.856 8.478 -1.649 611 1HD1 LEU 81 HD12 LEU 81 83.876 8.624 -1.407 612 2HD1 LEU 81 HD11 LEU 81 84.823 8.348 0.056 613 3HD1 LEU 81 HD13 LEU 81 85.102 9.794 -0.914 614 1HD2 LEU 81 HD23 LEU 81 85.077 6.028 -1.513 615 2HD2 LEU 81 HD22 LEU 81 86.823 6.057 -1.760 616 3HD2 LEU 81 HD21 LEU 81 86.146 6.543 -0.206 617 H VAL 82 HN VAL 82 86.645 5.743 -4.992 618 HA VAL 82 HA VAL 82 88.463 4.471 -3.154 619 HB VAL 82 HB VAL 82 87.562 3.588 -5.916 620 1HG1 VAL 82 HG12 VAL 82 89.045 2.199 -3.679 621 2HG1 VAL 82 HG11 VAL 82 88.156 1.297 -4.906 622 3HG1 VAL 82 HG13 VAL 82 89.508 2.329 -5.374 623 1HG2 VAL 82 HG21 VAL 82 86.427 3.341 -3.145 624 2HG2 VAL 82 HG23 VAL 82 85.593 3.658 -4.667 625 3HG2 VAL 82 HG22 VAL 82 86.162 2.031 -4.296 626 H LEU 83 HN LEU 83 88.806 5.822 -6.408 627 HA LEU 83 HA LEU 83 91.526 5.007 -6.830 628 1HB LEU 83 2HB LEU 83 89.884 7.302 -7.931 629 2HB LEU 83 3HB LEU 83 91.497 6.894 -8.516 630 HG LEU 83 HG LEU 83 89.160 4.968 -8.471 631 1HD1 LEU 83 HD11 LEU 83 90.147 6.941 -10.493 632 2HD1 LEU 83 HD13 LEU 83 89.580 5.376 -11.079 633 3HD1 LEU 83 HD12 LEU 83 88.498 6.413 -10.151 634 1HD2 LEU 83 HD22 LEU 83 92.025 4.847 -9.388 635 2HD2 LEU 83 HD21 LEU 83 91.101 3.659 -8.471 636 3HD2 LEU 83 HD23 LEU 83 90.807 3.861 -10.197 637 H HIS 84 HN HIS 84 90.065 7.959 -5.479 638 HA HIS 84 HA HIS 84 92.460 9.464 -5.172 639 1HB HIS 84 2HB HIS 84 89.880 9.472 -3.594 640 2HB HIS 84 3HB HIS 84 91.177 10.630 -3.310 641 HD1 HIS 84 HD1 HIS 84 89.827 12.653 -4.155 642 HD2 HIS 84 HD2 HIS 84 90.194 9.632 -7.005 643 HE1 HIS 84 HE1 HIS 84 88.973 13.618 -6.335 644 H TYR 85 HN TYR 85 90.912 7.142 -2.926 645 HA TYR 85 HA TYR 85 92.864 7.584 -0.843 646 1HB TYR 85 2HB TYR 85 90.925 5.322 -1.371 647 2HB TYR 85 3HB TYR 85 92.032 5.316 -0.005 648 HD1 TYR 85 HD2 TYR 85 89.970 8.020 -1.603 649 HD2 TYR 85 HD1 TYR 85 90.875 5.803 1.965 650 HE1 TYR 85 HE2 TYR 85 88.416 9.453 -0.321 651 HE2 TYR 85 HE1 TYR 85 89.311 7.242 3.250 652 HH TYR 85 HH TYR 85 88.245 10.146 2.232 653 H GLN 86 HN GLN 86 92.813 5.717 -3.754 654 HA GLN 86 HA GLN 86 94.821 3.772 -3.111 655 1HB GLN 86 2HB GLN 86 93.378 3.661 -5.138 656 2HB GLN 86 3HB GLN 86 94.218 5.064 -5.790 657 1HG GLN 86 2HG GLN 86 96.318 3.866 -5.851 658 2HG GLN 86 3HG GLN 86 95.601 2.488 -5.013 659 1HE2 GLN 86 HE22 GLN 86 94.415 3.134 -8.908 660 2HE2 GLN 86 HE21 GLN 86 94.787 4.473 -7.933 661 H HIS 87 HN HIS 87 94.984 7.102 -4.329 662 HA HIS 87 HA HIS 87 97.939 6.962 -4.449 663 1HB HIS 87 2HB HIS 87 96.037 9.262 -5.016 664 2HB HIS 87 3HB HIS 87 97.783 9.303 -5.259 665 HD1 HIS 87 HD1 HIS 87 94.627 8.132 -6.804 666 HD2 HIS 87 HD2 HIS 87 98.710 7.490 -7.361 667 HE1 HIS 87 HE1 HIS 87 94.876 6.999 -9.054 668 H THR 88 HN THR 88 95.438 7.917 -2.283 669 HA THR 88 HA THR 88 97.326 9.552 -0.660 670 HB THR 88 HB THR 88 94.368 9.038 -0.213 671 HG1 THR 88 HG1 THR 88 95.354 10.308 -2.156 672 1HG2 THR 88 HG23 THR 88 96.347 10.094 1.467 673 2HG2 THR 88 HG22 THR 88 95.501 11.503 0.827 674 3HG2 THR 88 HG21 THR 88 94.601 10.245 1.675 675 H SER 89 HN SER 89 98.003 8.871 1.364 676 HA SER 89 HA SER 89 97.605 6.003 1.948 677 1HB SER 89 2HB SER 89 99.877 6.908 2.060 678 2HB SER 89 3HB SER 89 99.364 8.110 3.237 679 HG SER 89 HG SER 89 100.371 5.989 3.950 680 H LEU 90 HN LEU 90 96.209 5.287 3.502 681 HA LEU 90 HA LEU 90 94.370 7.036 4.801 682 1HB LEU 90 2HB LEU 90 95.127 4.149 5.252 683 2HB LEU 90 3HB LEU 90 93.968 4.966 6.307 684 HG LEU 90 HG LEU 90 92.692 5.651 4.254 685 1HD1 LEU 90 HD13 LEU 90 94.825 3.931 3.016 686 2HD1 LEU 90 HD12 LEU 90 93.262 4.137 2.234 687 3HD1 LEU 90 HD11 LEU 90 94.288 5.536 2.533 688 1HD2 LEU 90 HD22 LEU 90 92.570 3.293 5.658 689 2HD2 LEU 90 HD21 LEU 90 91.422 3.758 4.400 690 3HD2 LEU 90 HD23 LEU 90 92.781 2.706 4.009 691 H VAL 91 HN VAL 91 97.575 6.052 5.708 692 HA VAL 91 HA VAL 91 97.907 6.065 8.360 693 HB VAL 91 HB VAL 91 99.740 6.489 6.702 694 1HG1 VAL 91 HG11 VAL 91 98.809 9.358 6.995 695 2HG1 VAL 91 HG13 VAL 91 100.276 8.843 6.166 696 3HG1 VAL 91 HG12 VAL 91 98.699 8.383 5.529 697 1HG2 VAL 91 HG23 VAL 91 99.884 6.809 9.288 698 2HG2 VAL 91 HG22 VAL 91 101.180 7.467 8.288 699 3HG2 VAL 91 HG21 VAL 91 99.922 8.533 8.911 700 H GLN 92 HN GLN 92 96.700 8.920 6.628 701 HA GLN 92 HA GLN 92 96.754 10.940 8.474 702 1HB GLN 92 2HB GLN 92 94.317 10.146 6.857 703 2HB GLN 92 3HB GLN 92 94.606 11.736 7.569 704 1HG GLN 92 2HG GLN 92 96.699 11.929 6.230 705 2HG GLN 92 3HG GLN 92 96.325 10.381 5.472 706 1HE2 GLN 92 HE22 GLN 92 93.497 11.724 3.643 707 2HE2 GLN 92 HE21 GLN 92 93.969 10.334 4.491 708 H HIS 93 HN HIS 93 94.657 11.782 9.675 709 HA HIS 93 HA HIS 93 93.293 11.583 11.565 710 1HB HIS 93 2HB HIS 93 92.993 8.767 10.476 711 2HB HIS 93 3HB HIS 93 92.080 9.392 11.841 712 HD1 HIS 93 HD1 HIS 93 90.221 11.114 11.361 713 HD2 HIS 93 HD2 HIS 93 92.249 9.875 7.936 714 HE1 HIS 93 HE1 HIS 93 88.838 11.893 9.388 715 H ASN 94 HN ASN 94 93.701 8.285 12.195 716 HA ASN 94 HA ASN 94 94.990 8.699 14.696 717 1HB ASN 94 2HB ASN 94 94.667 6.225 12.988 718 2HB ASN 94 3HB ASN 94 95.366 6.187 14.603 719 1HD2 ASN 94 HD22 ASN 94 91.631 5.638 14.825 720 2HD2 ASN 94 HD21 ASN 94 92.854 4.869 13.937 721 H ASP 95 HN ASP 95 96.357 8.950 11.639 722 HA ASP 95 HA ASP 95 98.605 9.039 10.932 723 1HB ASP 95 2HB ASP 95 98.704 10.583 12.917 724 2HB ASP 95 3HB ASP 95 99.190 9.200 13.899 725 H SER 96 HN SER 96 97.320 6.410 11.644 726 HA SER 96 HA SER 96 99.859 4.901 11.809 727 1HB SER 96 2HB SER 96 98.918 3.332 13.479 728 2HB SER 96 3HB SER 96 99.024 4.968 14.124 729 HG SER 96 HG SER 96 96.990 4.486 14.575 730 H LEU 97 HN LEU 97 97.393 5.505 9.926 731 HA LEU 97 HA LEU 97 96.782 2.654 9.274 732 1HB LEU 97 2HB LEU 97 95.490 5.266 8.443 733 2HB LEU 97 3HB LEU 97 95.113 3.724 7.671 734 HG LEU 97 HG LEU 97 94.633 2.823 10.002 735 1HD1 LEU 97 HD11 LEU 97 95.523 5.470 10.686 736 2HD1 LEU 97 HD13 LEU 97 93.853 5.258 11.208 737 3HD1 LEU 97 HD12 LEU 97 95.100 4.137 11.756 738 1HD2 LEU 97 HD22 LEU 97 93.044 4.406 8.222 739 2HD2 LEU 97 HD21 LEU 97 92.522 3.099 9.287 740 3HD2 LEU 97 HD23 LEU 97 92.544 4.763 9.876 741 H ASN 98 HN ASN 98 99.155 2.672 8.589 742 HA ASN 98 HA ASN 98 99.810 4.163 6.173 743 1HB ASN 98 2HB ASN 98 101.463 3.483 7.937 744 2HB ASN 98 3HB ASN 98 101.284 1.816 7.380 745 1HD2 ASN 98 HD22 ASN 98 102.889 4.482 4.673 746 2HD2 ASN 98 HD21 ASN 98 101.637 4.998 5.700 747 H VAL 99 HN VAL 99 98.172 3.499 4.716 748 HA VAL 99 HA VAL 99 98.884 1.131 3.183 749 HB VAL 99 HB VAL 99 97.474 0.116 4.962 750 1HG1 VAL 99 HG12 VAL 99 95.364 2.000 3.870 751 2HG1 VAL 99 HG11 VAL 99 95.066 0.722 5.040 752 3HG1 VAL 99 HG13 VAL 99 96.092 2.089 5.471 753 1HG2 VAL 99 HG22 VAL 99 97.459 -0.831 2.672 754 2HG2 VAL 99 HG21 VAL 99 95.887 -1.020 3.452 755 3HG2 VAL 99 HG23 VAL 99 96.126 0.240 2.241 756 H THR 100 HN THR 100 97.596 1.014 1.207 757 HA THR 100 HA THR 100 96.138 3.539 0.563 758 HB THR 100 HB THR 100 97.388 2.603 -1.799 759 HG1 THR 100 HG1 THR 100 99.558 3.192 -0.389 760 1HG2 THR 100 HG23 THR 100 96.804 4.939 -1.185 761 2HG2 THR 100 HG22 THR 100 98.126 4.939 -0.018 762 3HG2 THR 100 HG21 THR 100 98.472 4.788 -1.744 763 H LEU 101 HN LEU 101 94.203 3.140 -0.468 764 HA LEU 101 HA LEU 101 93.298 0.393 -0.719 765 1HB LEU 101 2HB LEU 101 92.090 2.901 -1.935 766 2HB LEU 101 3HB LEU 101 91.263 1.364 -1.650 767 HG LEU 101 HG LEU 101 92.380 3.247 0.440 768 1HD1 LEU 101 HD13 LEU 101 89.999 3.423 -0.808 769 2HD1 LEU 101 HD12 LEU 101 89.574 2.252 0.437 770 3HD1 LEU 101 HD11 LEU 101 90.200 3.831 0.894 771 1HD2 LEU 101 HD21 LEU 101 91.508 0.402 0.550 772 2HD2 LEU 101 HD23 LEU 101 92.815 1.191 1.415 773 3HD2 LEU 101 HD22 LEU 101 91.144 1.438 1.923 774 H ALA 102 HN ALA 102 95.222 -0.236 -2.105 775 HA ALA 102 HA ALA 102 94.747 0.476 -4.966 776 1HB ALA 102 HB2 ALA 102 96.999 1.055 -3.788 777 2HB ALA 102 HB1 ALA 102 97.331 -0.671 -3.936 778 3HB ALA 102 HB3 ALA 102 97.050 0.299 -5.381 779 H TYR 103 HN TYR 103 94.548 -2.107 -2.721 780 HA TYR 103 HA TYR 103 94.706 -4.034 -5.008 781 1HB TYR 103 2HB TYR 103 96.476 -4.353 -3.297 782 2HB TYR 103 3HB TYR 103 95.224 -4.617 -2.087 783 HD1 TYR 103 HD2 TYR 103 96.727 -5.921 -5.202 784 HD2 TYR 103 HD1 TYR 103 93.997 -6.710 -1.989 785 HE1 TYR 103 HE2 TYR 103 96.579 -8.291 -5.904 786 HE2 TYR 103 HE1 TYR 103 93.843 -9.078 -2.691 787 HH TYR 103 HH TYR 103 95.920 -10.603 -4.481 788 HA PRO 104 HA PRO 104 90.244 -4.149 -3.969 789 1HB PRO 104 2HB PRO 104 90.328 -6.027 -6.270 790 2HB PRO 104 3HB PRO 104 89.303 -4.612 -6.006 791 1HG PRO 104 2HG PRO 104 91.312 -4.584 -7.766 792 2HG PRO 104 3HG PRO 104 90.868 -3.151 -6.821 793 1HD PRO 104 2HD PRO 104 93.196 -4.986 -6.468 794 2HD PRO 104 3HD PRO 104 93.071 -3.237 -6.169 795 H VAL 105 HN VAL 105 89.028 -5.784 -2.895 796 HA VAL 105 HA VAL 105 90.525 -8.020 -1.845 797 HB VAL 105 HB VAL 105 88.650 -6.866 -0.639 798 1HG1 VAL 105 HG12 VAL 105 87.267 -7.209 -2.975 799 2HG1 VAL 105 HG11 VAL 105 86.633 -8.545 -2.015 800 3HG1 VAL 105 HG13 VAL 105 86.501 -6.889 -1.421 801 1HG2 VAL 105 HG21 VAL 105 88.890 -9.816 -1.025 802 2HG2 VAL 105 HG23 VAL 105 89.118 -8.850 0.433 803 3HG2 VAL 105 HG22 VAL 105 87.490 -9.238 -0.121 804 H TYR 106 HN TYR 106 88.155 -7.657 -4.458 805 HA TYR 106 HA TYR 106 88.626 -10.531 -5.160 806 1HB TYR 106 2HB TYR 106 86.184 -8.806 -5.460 807 2HB TYR 106 3HB TYR 106 86.394 -10.281 -6.403 808 HD1 TYR 106 HD1 TYR 106 87.323 -12.330 -4.834 809 HD2 TYR 106 HD2 TYR 106 84.921 -9.012 -3.547 810 HE1 TYR 106 HE1 TYR 106 86.487 -13.676 -2.926 811 HE2 TYR 106 HE2 TYR 106 84.089 -10.354 -1.636 812 HH TYR 106 HH TYR 106 83.807 -12.784 -1.089 813 H ALA 107 HN ALA 107 90.522 -8.918 -6.140 814 HA ALA 107 HA ALA 107 89.879 -7.638 -8.643 815 1HB ALA 107 HB3 ALA 107 92.104 -7.710 -7.075 816 2HB ALA 107 HB2 ALA 107 92.566 -8.848 -8.341 817 3HB ALA 107 HB1 ALA 107 92.124 -7.195 -8.764 818 H GLN 108 HN GLN 108 89.118 -8.736 -10.398 819 HA GLN 108 HA GLN 108 89.119 -11.566 -10.646 820 1HB GLN 108 2HB GLN 108 87.601 -10.005 -11.878 821 2HB GLN 108 3HB GLN 108 88.962 -9.551 -12.903 822 1HG GLN 108 2HG GLN 108 89.206 -11.870 -13.649 823 2HG GLN 108 3HG GLN 108 87.909 -12.376 -12.569 824 1HE2 GLN 108 HE22 GLN 108 85.503 -11.730 -15.040 825 2HE2 GLN 108 HE21 GLN 108 86.038 -12.716 -13.763 826 H GLN 109 HN GLN 109 91.411 -9.139 -11.890 827 HA GLN 109 HA GLN 109 92.892 -10.940 -13.546 828 1HB GLN 109 2HB GLN 109 93.738 -8.428 -12.073 829 2HB GLN 109 3HB GLN 109 94.788 -9.296 -13.192 830 1HG GLN 109 2HG GLN 109 93.215 -8.951 -15.015 831 2HG GLN 109 3HG GLN 109 92.047 -8.216 -13.917 832 1HE2 GLN 109 HE22 GLN 109 95.482 -5.998 -14.279 833 2HE2 GLN 109 HE21 GLN 109 95.581 -7.648 -13.894 834 H ARG 110 HN ARG 110 93.259 -10.049 -10.117 835 HA ARG 110 HA ARG 110 95.592 -11.656 -9.650 836 1HB ARG 110 2HB ARG 110 93.427 -10.741 -7.736 837 2HB ARG 110 3HB ARG 110 94.978 -11.417 -7.251 838 1HG ARG 110 2HG ARG 110 94.666 -8.936 -8.968 839 2HG ARG 110 3HG ARG 110 94.959 -8.914 -7.228 840 1HD ARG 110 2HD ARG 110 96.986 -10.457 -7.791 841 2HD ARG 110 3HD ARG 110 96.782 -9.844 -9.432 842 HE ARG 110 HE ARG 110 96.819 -7.552 -7.900 843 1HH1 ARG 110 HH21 ARG 110 98.817 -10.353 -8.211 844 2HH1 ARG 110 HH22 ARG 110 100.282 -9.510 -7.843 845 1HH2 ARG 110 HH11 ARG 110 98.725 -6.441 -7.417 846 2HH2 ARG 110 HH12 ARG 110 100.231 -7.298 -7.402 847 H ARG 111 HN ARG 111 92.139 -12.325 -9.535 848 HA ARG 111 HA ARG 111 92.782 -15.214 -9.058 849 1HB ARG 111 2HB ARG 111 90.399 -13.599 -8.098 850 2HB ARG 111 3HB ARG 111 90.578 -15.342 -7.895 851 1HG ARG 111 2HG ARG 111 92.662 -14.961 -6.602 852 2HG ARG 111 3HG ARG 111 92.434 -13.219 -6.775 853 1HD ARG 111 2HD ARG 111 91.553 -13.906 -4.613 854 2HD ARG 111 3HD ARG 111 90.211 -13.442 -5.658 855 HE ARG 111 HE ARG 111 90.393 -16.162 -6.068 856 1HH1 ARG 111 HH21 ARG 111 90.244 -14.078 -3.334 857 2HH1 ARG 111 HH22 ARG 111 89.381 -15.204 -2.341 858 1HH2 ARG 111 HH11 ARG 111 89.212 -17.647 -4.799 859 2HH2 ARG 111 HH12 ARG 111 88.793 -17.223 -3.172 No H/Q in entry = 859 Start of MODEL 26 1 1H GLU 1 HT3 GLU 1 93.545 -3.960 -18.014 2 2H GLU 1 HT2 GLU 1 93.304 -4.677 -19.533 3 3H GLU 1 HT1 GLU 1 94.869 -4.550 -18.888 4 HA GLU 1 HA GLU 1 95.157 -2.508 -19.674 5 1HB GLU 1 2HB GLU 1 93.984 -3.532 -21.612 6 2HB GLU 1 3HB GLU 1 92.443 -2.959 -20.962 7 1HG GLU 1 2HG GLU 1 93.239 -1.363 -22.629 8 2HG GLU 1 3HG GLU 1 93.338 -0.625 -21.028 9 H ASP 2 HN ASP 2 91.679 -2.697 -18.862 10 HA ASP 2 HA ASP 2 91.666 0.089 -17.995 11 1HB ASP 2 2HB ASP 2 89.355 -0.350 -17.328 12 2HB ASP 2 3HB ASP 2 89.634 -1.037 -18.925 13 H LEU 3 HN LEU 3 90.870 0.535 -15.640 14 HA LEU 3 HA LEU 3 92.681 -0.958 -13.846 15 1HB LEU 3 2HB LEU 3 90.980 1.510 -13.379 16 2HB LEU 3 3HB LEU 3 92.121 0.838 -12.218 17 HG LEU 3 HG LEU 3 92.949 1.652 -15.011 18 1HD1 LEU 3 HD11 LEU 3 92.824 3.268 -12.457 19 2HD1 LEU 3 HD13 LEU 3 93.905 3.690 -13.787 20 3HD1 LEU 3 HD12 LEU 3 92.159 3.682 -14.039 21 1HD2 LEU 3 HD22 LEU 3 94.218 0.304 -12.829 22 2HD2 LEU 3 HD21 LEU 3 94.932 0.798 -14.365 23 3HD2 LEU 3 HD23 LEU 3 94.964 1.896 -12.985 24 HA PRO 4 HA PRO 4 89.517 -3.684 -12.215 25 1HB PRO 4 2HB PRO 4 90.803 -3.143 -9.595 26 2HB PRO 4 3HB PRO 4 90.513 -4.690 -10.404 27 1HG PRO 4 2HG PRO 4 92.940 -3.482 -10.225 28 2HG PRO 4 3HG PRO 4 92.489 -4.621 -11.498 29 1HD PRO 4 2HD PRO 4 92.942 -1.732 -11.683 30 2HD PRO 4 3HD PRO 4 92.840 -2.937 -12.981 31 H HIS 5 HN HIS 5 90.178 -0.504 -11.034 32 HA HIS 5 HA HIS 5 88.144 -0.300 -9.038 33 1HB HIS 5 2HB HIS 5 89.372 1.837 -10.803 34 2HB HIS 5 3HB HIS 5 88.464 2.133 -9.316 35 HD1 HIS 5 HD1 HIS 5 89.523 0.340 -7.277 36 HD2 HIS 5 HD2 HIS 5 92.067 1.872 -10.206 37 HE1 HIS 5 HE1 HIS 5 91.877 0.128 -6.368 38 H HIS 6 HN HIS 6 88.005 -0.463 -12.443 39 HA HIS 6 HA HIS 6 85.608 1.031 -12.944 40 1HB HIS 6 2HB HIS 6 86.899 -1.323 -14.345 41 2HB HIS 6 3HB HIS 6 85.477 -0.481 -14.977 42 HD1 HIS 6 HD1 HIS 6 87.461 -0.013 -16.932 43 HD2 HIS 6 HD2 HIS 6 87.662 2.128 -13.362 44 HE1 HIS 6 HE1 HIS 6 88.889 2.028 -17.399 45 H ASP 7 HN ASP 7 86.219 -2.308 -11.933 46 HA ASP 7 HA ASP 7 83.319 -2.877 -11.926 47 1HB ASP 7 2HB ASP 7 85.756 -4.623 -11.514 48 2HB ASP 7 3HB ASP 7 84.104 -5.213 -11.336 49 H GLU 8 HN GLU 8 82.142 -2.855 -10.083 50 HA GLU 8 HA GLU 8 83.312 -2.008 -7.571 51 1HB GLU 8 2HB GLU 8 80.545 -2.962 -8.344 52 2HB GLU 8 3HB GLU 8 80.955 -2.440 -6.715 53 1HG GLU 8 2HG GLU 8 81.691 -0.249 -7.620 54 2HG GLU 8 3HG GLU 8 81.197 -0.774 -9.230 55 H LYS 9 HN LYS 9 82.335 -5.075 -8.950 56 HA LYS 9 HA LYS 9 82.246 -6.640 -6.585 57 1HB LYS 9 2HB LYS 9 82.742 -8.544 -8.117 58 2HB LYS 9 3HB LYS 9 81.468 -7.483 -8.733 59 1HG LYS 9 2HG LYS 9 82.672 -6.948 -10.554 60 2HG LYS 9 3HG LYS 9 84.067 -6.519 -9.572 61 1HD LYS 9 2HD LYS 9 83.557 -9.434 -9.869 62 2HD LYS 9 3HD LYS 9 84.054 -8.585 -11.327 63 1HE LYS 9 2HE LYS 9 86.137 -8.128 -10.534 64 2HE LYS 9 3HE LYS 9 85.582 -7.910 -8.874 65 1HZ LYS 9 HZ1 LYS 9 85.780 -10.533 -10.252 66 2HZ LYS 9 HZ3 LYS 9 86.967 -9.909 -9.215 67 3HZ LYS 9 HZ2 LYS 9 85.419 -10.267 -8.612 68 H THR 10 HN THR 10 84.986 -5.335 -8.329 69 HA THR 10 HA THR 10 86.931 -7.186 -7.297 70 HB THR 10 HB THR 10 88.595 -5.454 -7.988 71 HG1 THR 10 HG1 THR 10 87.765 -3.593 -8.996 72 1HG2 THR 10 HG22 THR 10 86.361 -6.075 -9.931 73 2HG2 THR 10 HG21 THR 10 87.963 -5.504 -10.399 74 3HG2 THR 10 HG23 THR 10 87.783 -7.070 -9.609 75 H TRP 11 HN TRP 11 85.465 -4.297 -5.959 76 HA TRP 11 HA TRP 11 87.025 -4.801 -3.457 77 1HB TRP 11 2HB TRP 11 86.473 -2.156 -3.234 78 2HB TRP 11 3HB TRP 11 87.976 -2.766 -3.933 79 HD1 TRP 11 HD1 TRP 11 87.950 -3.097 -6.650 80 HE1 TRP 11 HE1 TRP 11 86.796 -1.702 -8.472 81 HE3 TRP 11 HE3 TRP 11 84.542 -0.617 -3.788 82 HZ2 TRP 11 HZ2 TRP 11 84.716 0.272 -8.673 83 HZ3 TRP 11 HZ3 TRP 11 82.992 1.024 -4.817 84 HH2 TRP 11 HH2 TRP 11 83.077 1.469 -7.252 85 H ASN 12 HN ASN 12 83.999 -4.036 -4.999 86 HA ASN 12 HA ASN 12 82.616 -3.382 -2.514 87 1HB ASN 12 2HB ASN 12 81.961 -2.502 -4.782 88 2HB ASN 12 3HB ASN 12 81.372 -4.123 -5.164 89 1HD2 ASN 12 HD22 ASN 12 78.272 -3.092 -3.781 90 2HD2 ASN 12 HD21 ASN 12 79.098 -3.604 -5.174 91 H VAL 13 HN VAL 13 81.800 -4.729 -1.122 92 HA VAL 13 HA VAL 13 81.006 -7.462 -1.997 93 HB VAL 13 HB VAL 13 82.548 -6.761 0.523 94 1HG1 VAL 13 HG11 VAL 13 80.800 -8.964 -0.135 95 2HG1 VAL 13 HG13 VAL 13 82.448 -9.551 0.086 96 3HG1 VAL 13 HG12 VAL 13 81.651 -8.644 1.373 97 1HG2 VAL 13 HG22 VAL 13 83.301 -8.297 -1.984 98 2HG2 VAL 13 HG21 VAL 13 84.016 -6.790 -1.416 99 3HG2 VAL 13 HG23 VAL 13 84.270 -8.284 -0.516 100 H GLY 14 HN GLY 14 79.487 -5.007 -1.585 101 1HA GLY 14 2HA GLY 14 78.199 -4.594 0.816 102 2HA GLY 14 3HA GLY 14 77.340 -4.554 -0.725 103 H SER 15 HN SER 15 75.801 -5.359 1.243 104 HA SER 15 HA SER 15 74.424 -7.118 1.953 105 1HB SER 15 2HB SER 15 74.373 -7.624 -0.506 106 2HB SER 15 3HB SER 15 75.775 -8.663 -0.285 107 HG SER 15 HG SER 15 74.227 -9.516 1.517 108 H SER 16 HN SER 16 77.234 -6.744 2.927 109 HA SER 16 HA SER 16 77.589 -9.507 4.002 110 1HB SER 16 2HB SER 16 79.762 -7.561 3.182 111 2HB SER 16 3HB SER 16 80.046 -9.072 4.042 112 HG SER 16 HG SER 16 78.620 -9.850 2.105 113 H ASN 17 HN ASN 17 77.841 -9.616 6.186 114 HA ASN 17 HA ASN 17 77.366 -7.192 7.746 115 1HB ASN 17 2HB ASN 17 77.277 -8.740 9.653 116 2HB ASN 17 3HB ASN 17 76.313 -9.360 8.316 117 1HD2 ASN 17 HD22 ASN 17 78.079 -12.388 8.486 118 2HD2 ASN 17 HD21 ASN 17 76.577 -11.601 8.435 119 H ARG 18 HN ARG 18 78.787 -6.788 9.727 120 HA ARG 18 HA ARG 18 81.466 -6.267 8.882 121 1HB ARG 18 2HB ARG 18 80.198 -6.287 11.626 122 2HB ARG 18 3HB ARG 18 81.857 -5.770 11.330 123 1HG ARG 18 2HG ARG 18 81.009 -4.104 9.695 124 2HG ARG 18 3HG ARG 18 79.364 -4.565 10.106 125 1HD ARG 18 2HD ARG 18 79.896 -3.999 12.507 126 2HD ARG 18 3HD ARG 18 81.429 -3.331 11.951 127 HE ARG 18 HE ARG 18 78.899 -2.005 11.883 128 1HH1 ARG 18 HH21 ARG 18 81.612 -2.640 9.834 129 2HH1 ARG 18 HH22 ARG 18 81.243 -1.350 8.741 130 1HH2 ARG 18 HH11 ARG 18 78.420 -0.328 10.464 131 2HH2 ARG 18 HH12 ARG 18 79.450 -0.042 9.102 132 H ASN 19 HN ASN 19 80.020 -8.943 10.657 133 HA ASN 19 HA ASN 19 82.461 -10.086 11.623 134 1HB ASN 19 2HB ASN 19 79.793 -11.351 10.930 135 2HB ASN 19 3HB ASN 19 81.117 -12.227 11.698 136 1HD2 ASN 19 HD22 ASN 19 80.852 -9.907 14.638 137 2HD2 ASN 19 HD21 ASN 19 82.069 -10.225 13.498 138 H LYS 20 HN LYS 20 80.575 -10.686 8.653 139 HA LYS 20 HA LYS 20 82.318 -12.665 7.558 140 1HB LYS 20 2HB LYS 20 80.018 -12.134 6.693 141 2HB LYS 20 3HB LYS 20 80.666 -10.631 6.034 142 1HG LYS 20 2HG LYS 20 82.187 -11.839 4.587 143 2HG LYS 20 3HG LYS 20 81.747 -13.373 5.332 144 1HD LYS 20 2HD LYS 20 79.609 -11.668 4.096 145 2HD LYS 20 3HD LYS 20 80.626 -12.674 3.062 146 1HE LYS 20 2HE LYS 20 79.275 -13.816 5.506 147 2HE LYS 20 3HE LYS 20 78.438 -13.722 3.958 148 1HZ LYS 20 HZ1 LYS 20 80.664 -14.795 3.124 149 2HZ LYS 20 HZ3 LYS 20 80.752 -15.340 4.726 150 3HZ LYS 20 HZ2 LYS 20 79.415 -15.751 3.764 151 H ALA 21 HN ALA 21 82.285 -9.119 7.309 152 HA ALA 21 HA ALA 21 84.360 -8.889 5.382 153 1HB ALA 21 HB3 ALA 21 83.484 -7.041 7.621 154 2HB ALA 21 HB2 ALA 21 84.723 -6.599 6.444 155 3HB ALA 21 HB1 ALA 21 83.079 -6.931 5.910 156 H GLU 22 HN GLU 22 84.502 -9.260 8.918 157 HA GLU 22 HA GLU 22 87.300 -8.810 9.220 158 1HB GLU 22 2HB GLU 22 85.559 -9.099 11.064 159 2HB GLU 22 3HB GLU 22 85.684 -10.835 10.781 160 1HG GLU 22 2HG GLU 22 87.985 -10.876 11.409 161 2HG GLU 22 3HG GLU 22 88.102 -9.117 11.351 162 H ASN 23 HN ASN 23 85.480 -11.783 8.496 163 HA ASN 23 HA ASN 23 87.708 -13.561 8.377 164 1HB ASN 23 2HB ASN 23 85.016 -13.598 6.976 165 2HB ASN 23 3HB ASN 23 86.169 -14.930 6.903 166 1HD2 ASN 23 HD22 ASN 23 83.729 -14.767 10.034 167 2HD2 ASN 23 HD21 ASN 23 83.447 -14.007 8.540 168 H LEU 24 HN LEU 24 86.148 -11.449 6.015 169 HA LEU 24 HA LEU 24 87.826 -12.286 3.802 170 1HB LEU 24 2HB LEU 24 86.047 -9.866 4.224 171 2HB LEU 24 3HB LEU 24 86.919 -10.183 2.720 172 HG LEU 24 HG LEU 24 84.931 -12.078 4.013 173 1HD1 LEU 24 HD13 LEU 24 84.184 -9.816 2.839 174 2HD1 LEU 24 HD12 LEU 24 84.524 -10.731 1.367 175 3HD1 LEU 24 HD11 LEU 24 83.325 -11.323 2.515 176 1HD2 LEU 24 HD22 LEU 24 86.780 -12.213 1.675 177 2HD2 LEU 24 HD21 LEU 24 86.261 -13.495 2.770 178 3HD2 LEU 24 HD23 LEU 24 85.181 -12.935 1.491 179 H LEU 25 HN LEU 25 87.986 -9.816 6.307 180 HA LEU 25 HA LEU 25 90.360 -8.573 5.053 181 1HB LEU 25 2HB LEU 25 88.880 -8.049 7.648 182 2HB LEU 25 3HB LEU 25 90.307 -7.154 7.148 183 HG LEU 25 HG LEU 25 88.071 -7.359 5.182 184 1HD1 LEU 25 HD11 LEU 25 87.080 -6.839 7.493 185 2HD1 LEU 25 HD13 LEU 25 87.996 -5.334 7.428 186 3HD1 LEU 25 HD12 LEU 25 86.754 -5.664 6.221 187 1HD2 LEU 25 HD21 LEU 25 90.165 -5.328 5.993 188 2HD2 LEU 25 HD23 LEU 25 89.928 -6.100 4.422 189 3HD2 LEU 25 HD22 LEU 25 88.796 -4.870 4.981 190 H ARG 26 HN ARG 26 89.626 -11.177 7.065 191 HA ARG 26 HA ARG 26 92.155 -11.075 8.578 192 1HB ARG 26 2HB ARG 26 89.689 -12.780 8.628 193 2HB ARG 26 3HB ARG 26 91.197 -13.496 9.212 194 1HG ARG 26 2HG ARG 26 91.476 -11.587 10.776 195 2HG ARG 26 3HG ARG 26 89.947 -10.914 10.205 196 1HD ARG 26 2HD ARG 26 88.777 -12.974 10.948 197 2HD ARG 26 3HD ARG 26 90.303 -13.615 11.547 198 HE ARG 26 HE ARG 26 90.043 -11.154 12.821 199 1HH1 ARG 26 HH21 ARG 26 88.199 -14.057 12.494 200 2HH1 ARG 26 HH22 ARG 26 87.376 -13.860 14.007 201 1HH2 ARG 26 HH11 ARG 26 88.981 -10.891 14.804 202 2HH2 ARG 26 HH12 ARG 26 87.811 -12.066 15.311 203 H GLY 27 HN GLY 27 93.982 -11.850 7.673 204 1HA GLY 27 2HA GLY 27 95.282 -13.624 6.651 205 2HA GLY 27 3HA GLY 27 93.813 -14.207 5.868 206 H LYS 28 HN LYS 28 93.593 -10.996 5.473 207 HA LYS 28 HA LYS 28 94.635 -11.143 2.737 208 1HB LYS 28 2HB LYS 28 93.097 -9.010 4.235 209 2HB LYS 28 3HB LYS 28 93.594 -8.855 2.553 210 1HG LYS 28 2HG LYS 28 91.794 -11.016 3.683 211 2HG LYS 28 3HG LYS 28 91.281 -9.649 2.691 212 1HD LYS 28 2HD LYS 28 93.277 -10.736 1.154 213 2HD LYS 28 3HD LYS 28 92.565 -12.175 1.885 214 1HE LYS 28 2HE LYS 28 90.343 -11.488 1.108 215 2HE LYS 28 3HE LYS 28 91.030 -10.006 0.433 216 1HZ LYS 28 HZ1 LYS 28 92.093 -12.639 -0.347 217 2HZ LYS 28 HZ3 LYS 28 90.707 -12.021 -1.103 218 3HZ LYS 28 HZ2 LYS 28 92.168 -11.163 -1.185 219 H ARG 29 HN ARG 29 96.169 -9.692 1.917 220 HA ARG 29 HA ARG 29 98.257 -8.936 3.826 221 1HB ARG 29 2HB ARG 29 98.083 -8.601 0.820 222 2HB ARG 29 3HB ARG 29 99.524 -8.315 1.789 223 1HG ARG 29 2HG ARG 29 98.046 -10.953 1.686 224 2HG ARG 29 3HG ARG 29 99.465 -10.583 0.707 225 1HD ARG 29 2HD ARG 29 100.575 -9.969 2.984 226 2HD ARG 29 3HD ARG 29 99.273 -10.918 3.700 227 HE ARG 29 HE ARG 29 101.616 -11.981 2.480 228 1HH1 ARG 29 HH21 ARG 29 98.195 -12.376 2.440 229 2HH1 ARG 29 HH22 ARG 29 98.256 -13.940 1.701 230 1HH2 ARG 29 HH11 ARG 29 101.718 -14.009 1.526 231 2HH2 ARG 29 HH12 ARG 29 100.257 -14.872 1.189 232 H ASP 30 HN ASP 30 99.134 -6.769 4.000 233 HA ASP 30 HA ASP 30 97.239 -4.691 4.349 234 1HB ASP 30 2HB ASP 30 99.605 -4.775 5.274 235 2HB ASP 30 3HB ASP 30 100.172 -4.289 3.675 236 H GLY 31 HN GLY 31 96.460 -3.097 2.957 237 1HA GLY 31 2HA GLY 31 96.588 -1.757 0.911 238 2HA GLY 31 3HA GLY 31 97.542 -3.051 0.175 239 H THR 32 HN THR 32 95.478 -4.919 1.617 240 HA THR 32 HA THR 32 93.652 -5.033 -0.693 241 HB THR 32 HB THR 32 93.762 -6.840 1.726 242 HG1 THR 32 HG1 THR 32 95.218 -8.007 0.677 243 1HG2 THR 32 HG22 THR 32 91.966 -6.633 -0.466 244 2HG2 THR 32 HG21 THR 32 92.915 -8.098 -0.702 245 3HG2 THR 32 HG23 THR 32 92.005 -7.868 0.789 246 H PHE 33 HN PHE 33 91.701 -3.998 -0.625 247 HA PHE 33 HA PHE 33 90.365 -3.832 2.019 248 1HB PHE 33 2HB PHE 33 90.238 -1.575 2.075 249 2HB PHE 33 3HB PHE 33 91.664 -1.664 1.050 250 HD1 PHE 33 HD1 PHE 33 91.327 -1.519 -1.494 251 HD2 PHE 33 HD2 PHE 33 88.221 -0.705 1.350 252 HE1 PHE 33 HE1 PHE 33 90.030 -0.296 -3.221 253 HE2 PHE 33 HE2 PHE 33 86.944 0.498 -0.396 254 HZ PHE 33 HZ PHE 33 87.839 0.698 -2.666 255 H LEU 34 HN LEU 34 88.038 -3.124 1.781 256 HA LEU 34 HA LEU 34 86.889 -3.830 -0.868 257 1HB LEU 34 2HB LEU 34 85.364 -5.464 0.101 258 2HB LEU 34 3HB LEU 34 87.021 -5.921 0.473 259 HG LEU 34 HG LEU 34 85.932 -4.166 2.526 260 1HD1 LEU 34 HD12 LEU 34 84.399 -6.616 1.693 261 2HD1 LEU 34 HD11 LEU 34 84.475 -6.173 3.397 262 3HD1 LEU 34 HD13 LEU 34 83.779 -5.053 2.226 263 1HD2 LEU 34 HD21 LEU 34 87.116 -6.955 2.412 264 2HD2 LEU 34 HD23 LEU 34 87.902 -5.472 2.957 265 3HD2 LEU 34 HD22 LEU 34 86.617 -6.197 3.924 266 H VAL 35 HN VAL 35 84.652 -3.147 -1.105 267 HA VAL 35 HA VAL 35 83.938 -0.958 0.791 268 HB VAL 35 HB VAL 35 83.304 -1.380 -2.148 269 1HG1 VAL 35 HG12 VAL 35 81.849 0.116 -0.076 270 2HG1 VAL 35 HG11 VAL 35 82.286 1.082 -1.488 271 3HG1 VAL 35 HG13 VAL 35 81.323 -0.385 -1.683 272 1HG2 VAL 35 HG22 VAL 35 84.786 0.727 -0.555 273 2HG2 VAL 35 HG21 VAL 35 85.453 -0.350 -1.781 274 3HG2 VAL 35 HG23 VAL 35 84.338 0.936 -2.247 275 H ARG 36 HN ARG 36 82.207 -1.334 2.070 276 HA ARG 36 HA ARG 36 80.055 -3.152 1.105 277 1HB ARG 36 2HB ARG 36 79.988 -4.182 3.407 278 2HB ARG 36 3HB ARG 36 81.446 -4.573 2.496 279 1HG ARG 36 2HG ARG 36 82.467 -3.914 4.440 280 2HG ARG 36 3HG ARG 36 82.296 -2.323 3.704 281 1HD ARG 36 2HD ARG 36 81.498 -2.297 6.031 282 2HD ARG 36 3HD ARG 36 80.169 -1.994 4.913 283 HE ARG 36 HE ARG 36 80.075 -4.727 5.296 284 1HH1 ARG 36 HH21 ARG 36 80.173 -1.905 7.260 285 2HH1 ARG 36 HH22 ARG 36 79.285 -2.617 8.570 286 1HH2 ARG 36 HH11 ARG 36 78.919 -5.687 6.975 287 2HH2 ARG 36 HH12 ARG 36 78.568 -4.773 8.405 288 H GLU 37 HN GLU 37 78.178 -3.006 2.961 289 HA GLU 37 HA GLU 37 77.786 -0.082 3.328 290 1HB GLU 37 2HB GLU 37 75.919 -1.001 2.198 291 2HB GLU 37 3HB GLU 37 75.929 -2.459 3.193 292 1HG GLU 37 2HG GLU 37 75.090 -1.270 5.090 293 2HG GLU 37 3HG GLU 37 75.354 0.286 4.312 294 H SER 38 HN SER 38 76.732 0.563 5.458 295 HA SER 38 HA SER 38 78.193 -0.722 7.653 296 1HB SER 38 2HB SER 38 75.971 1.348 7.766 297 2HB SER 38 3HB SER 38 77.035 0.899 9.096 298 HG SER 38 HG SER 38 77.527 2.830 7.633 299 H SER 39 HN SER 39 76.458 -2.271 6.042 300 HA SER 39 HA SER 39 74.955 -3.994 6.201 301 1HB SER 39 2HB SER 39 75.054 -3.365 9.175 302 2HB SER 39 3HB SER 39 74.349 -4.812 8.459 303 HG SER 39 HG SER 39 76.922 -4.264 9.027 304 H LYS 40 HN LYS 40 74.324 -0.829 7.277 305 HA LYS 40 HA LYS 40 71.389 -1.297 7.356 306 1HB LYS 40 2HB LYS 40 72.413 0.107 9.157 307 2HB LYS 40 3HB LYS 40 72.929 1.255 7.916 308 1HG LYS 40 2HG LYS 40 70.672 1.787 7.335 309 2HG LYS 40 3HG LYS 40 70.041 0.420 8.251 310 1HD LYS 40 2HD LYS 40 69.690 2.466 9.536 311 2HD LYS 40 3HD LYS 40 70.899 1.474 10.348 312 1HE LYS 40 2HE LYS 40 72.701 2.810 9.372 313 2HE LYS 40 3HE LYS 40 71.535 3.764 8.466 314 1HZ LYS 40 HZ3 LYS 40 71.400 3.566 11.411 315 2HZ LYS 40 HZ2 LYS 40 72.421 4.694 10.652 316 3HZ LYS 40 HZ1 LYS 40 70.742 4.756 10.396 317 H GLN 41 HN GLN 41 70.229 -0.896 5.553 318 HA GLN 41 HA GLN 41 71.300 -0.301 3.052 319 1HB GLN 41 2HB GLN 41 69.005 -1.159 3.442 320 2HB GLN 41 3HB GLN 41 68.523 0.445 4.004 321 1HG GLN 41 2HG GLN 41 69.147 1.407 1.827 322 2HG GLN 41 3HG GLN 41 69.652 -0.183 1.259 323 1HE2 GLN 41 HE22 GLN 41 66.368 -1.233 0.494 324 2HE2 GLN 41 HE21 GLN 41 68.019 -1.621 0.505 325 H GLY 42 HN GLY 42 71.925 1.514 1.994 326 1HA GLY 42 2HA GLY 42 71.924 3.833 1.451 327 2HA GLY 42 3HA GLY 42 71.043 4.166 2.941 328 H CYS 43 HN CYS 43 73.544 2.096 3.708 329 HA CYS 43 HA CYS 43 75.244 4.437 4.452 330 1HB CYS 43 2HB CYS 43 74.904 1.767 5.840 331 2HB CYS 43 3HB CYS 43 76.059 3.005 6.331 332 HG CYS 43 HG CYS 43 73.905 4.620 6.634 333 H TYR 44 HN TYR 44 77.546 4.211 4.228 334 HA TYR 44 HA TYR 44 78.420 1.851 2.627 335 1HB TYR 44 2HB TYR 44 78.996 4.763 2.027 336 2HB TYR 44 3HB TYR 44 79.835 3.420 1.259 337 HD1 TYR 44 HD1 TYR 44 78.666 1.909 -0.292 338 HD2 TYR 44 HD2 TYR 44 76.652 5.241 1.529 339 HE1 TYR 44 HE1 TYR 44 76.812 1.680 -1.921 340 HE2 TYR 44 HE2 TYR 44 74.798 5.009 -0.104 341 HH TYR 44 HH TYR 44 74.657 3.973 -2.593 342 H ALA 45 HN ALA 45 80.654 1.298 2.868 343 HA ALA 45 HA ALA 45 82.325 2.882 4.678 344 1HB ALA 45 HB1 ALA 45 80.929 0.387 5.538 345 2HB ALA 45 HB3 ALA 45 82.598 0.609 6.062 346 3HB ALA 45 HB2 ALA 45 81.372 1.805 6.485 347 H CYS 46 HN CYS 46 84.486 2.509 4.200 348 HA CYS 46 HA CYS 46 85.037 0.216 2.346 349 1HB CYS 46 2HB CYS 46 86.677 2.751 2.737 350 2HB CYS 46 3HB CYS 46 87.016 1.462 1.569 351 HG CYS 46 HG CYS 46 84.688 2.076 0.414 352 H SER 47 HN SER 47 85.999 -1.454 3.390 353 HA SER 47 HA SER 47 87.503 -0.839 5.886 354 1HB SER 47 2HB SER 47 86.338 -3.423 4.803 355 2HB SER 47 3HB SER 47 87.290 -3.317 6.283 356 HG SER 47 HG SER 47 84.847 -3.118 6.344 357 H VAL 48 HN VAL 48 89.689 -1.166 5.993 358 HA VAL 48 HA VAL 48 90.968 -2.629 3.726 359 HB VAL 48 HB VAL 48 91.410 -0.301 3.283 360 1HG1 VAL 48 HG11 VAL 48 91.144 -0.078 6.099 361 2HG1 VAL 48 HG13 VAL 48 92.754 0.513 5.686 362 3HG1 VAL 48 HG12 VAL 48 91.328 1.228 4.930 363 1HG2 VAL 48 HG23 VAL 48 93.375 -1.923 3.264 364 2HG2 VAL 48 HG22 VAL 48 93.804 -0.221 3.431 365 3HG2 VAL 48 HG21 VAL 48 93.808 -1.275 4.847 366 H VAL 49 HN VAL 49 93.111 -3.472 4.275 367 HA VAL 49 HA VAL 49 93.293 -4.108 7.190 368 HB VAL 49 HB VAL 49 94.284 -5.611 4.762 369 1HG1 VAL 49 HG11 VAL 49 94.932 -5.887 7.686 370 2HG1 VAL 49 HG13 VAL 49 94.966 -7.298 6.626 371 3HG1 VAL 49 HG12 VAL 49 96.029 -5.929 6.303 372 1HG2 VAL 49 HG23 VAL 49 92.193 -6.082 6.878 373 2HG2 VAL 49 HG22 VAL 49 92.006 -6.136 5.127 374 3HG2 VAL 49 HG21 VAL 49 92.873 -7.425 5.962 375 H VAL 50 HN VAL 50 95.187 -3.539 8.274 376 HA VAL 50 HA VAL 50 97.321 -2.339 6.560 377 HB VAL 50 HB VAL 50 96.328 -1.454 9.284 378 1HG1 VAL 50 HG11 VAL 50 98.882 -0.961 7.826 379 2HG1 VAL 50 HG13 VAL 50 98.117 0.443 8.572 380 3HG1 VAL 50 HG12 VAL 50 98.559 -0.949 9.560 381 1HG2 VAL 50 HG22 VAL 50 96.049 -0.539 6.476 382 2HG2 VAL 50 HG21 VAL 50 94.934 -0.367 7.825 383 3HG2 VAL 50 HG23 VAL 50 96.308 0.725 7.679 384 H ASP 51 HN ASP 51 99.470 -2.630 7.283 385 HA ASP 51 HA ASP 51 100.208 -5.147 8.226 386 1HB ASP 51 2HB ASP 51 101.741 -3.431 7.168 387 2HB ASP 51 3HB ASP 51 101.780 -2.613 8.732 388 H GLY 52 HN GLY 52 98.899 -2.562 9.893 389 1HA GLY 52 2HA GLY 52 99.917 -3.465 12.517 390 2HA GLY 52 3HA GLY 52 98.959 -2.010 12.228 391 H GLU 53 HN GLU 53 96.679 -2.729 11.114 392 HA GLU 53 HA GLU 53 95.591 -5.224 12.186 393 1HB GLU 53 2HB GLU 53 93.953 -4.222 13.714 394 2HB GLU 53 3HB GLU 53 95.596 -3.860 14.253 395 1HG GLU 53 2HG GLU 53 95.465 -1.615 13.429 396 2HG GLU 53 3HG GLU 53 93.990 -1.962 12.527 397 H VAL 54 HN VAL 54 93.059 -5.111 11.969 398 HA VAL 54 HA VAL 54 92.547 -4.122 9.246 399 HB VAL 54 HB VAL 54 91.797 -6.399 9.913 400 1HG1 VAL 54 HG12 VAL 54 90.959 -5.061 12.241 401 2HG1 VAL 54 HG11 VAL 54 89.467 -5.527 11.418 402 3HG1 VAL 54 HG13 VAL 54 90.666 -6.752 11.837 403 1HG2 VAL 54 HG22 VAL 54 89.587 -4.406 9.312 404 2HG2 VAL 54 HG21 VAL 54 90.636 -5.180 8.123 405 3HG2 VAL 54 HG23 VAL 54 89.482 -6.146 9.042 406 H LYS 55 HN LYS 55 91.167 -2.437 8.766 407 HA LYS 55 HA LYS 55 89.880 -1.086 11.109 408 1HB LYS 55 2HB LYS 55 91.213 0.225 8.720 409 2HB LYS 55 3HB LYS 55 90.354 1.075 10.005 410 1HG LYS 55 2HG LYS 55 92.282 1.132 11.172 411 2HG LYS 55 3HG LYS 55 92.177 -0.619 11.323 412 1HD LYS 55 2HD LYS 55 93.392 -0.911 9.227 413 2HD LYS 55 3HD LYS 55 93.440 0.838 8.986 414 1HE LYS 55 2HE LYS 55 94.969 -0.844 10.942 415 2HE LYS 55 3HE LYS 55 95.531 0.495 9.948 416 1HZ LYS 55 HZ1 LYS 55 94.120 1.966 11.356 417 2HZ LYS 55 HZ3 LYS 55 93.857 0.647 12.391 418 3HZ LYS 55 HZ2 LYS 55 95.429 1.256 12.172 419 H HIS 56 HN HIS 56 87.989 0.271 10.480 420 HA HIS 56 HA HIS 56 86.647 -0.713 7.988 421 1HB HIS 56 2HB HIS 56 85.385 -0.273 10.710 422 2HB HIS 56 3HB HIS 56 84.527 -0.770 9.251 423 HD1 HIS 56 HD1 HIS 56 85.978 -3.005 8.094 424 HD2 HIS 56 HD2 HIS 56 85.889 -2.501 12.231 425 HE1 HIS 56 HE1 HIS 56 86.506 -5.268 9.103 426 H CYS 57 HN CYS 57 87.416 1.427 7.074 427 HA CYS 57 HA CYS 57 86.643 3.947 8.188 428 1HB CYS 57 2HB CYS 57 87.025 3.188 5.267 429 2HB CYS 57 3HB CYS 57 86.887 4.835 5.862 430 HG CYS 57 HG CYS 57 89.131 4.479 7.184 431 H VAL 58 HN VAL 58 84.754 5.200 7.880 432 HA VAL 58 HA VAL 58 82.466 3.641 6.775 433 HB VAL 58 HB VAL 58 82.496 4.141 9.268 434 1HG1 VAL 58 HG12 VAL 58 83.348 6.567 8.663 435 2HG1 VAL 58 HG11 VAL 58 81.623 6.912 8.509 436 3HG1 VAL 58 HG13 VAL 58 82.272 6.326 10.044 437 1HG2 VAL 58 HG21 VAL 58 80.227 5.254 7.585 438 2HG2 VAL 58 HG23 VAL 58 80.409 3.575 8.096 439 3HG2 VAL 58 HG22 VAL 58 80.103 4.835 9.294 440 H ILE 59 HN ILE 59 81.347 4.499 5.149 441 HA ILE 59 HA ILE 59 81.660 7.408 4.554 442 HB ILE 59 HB ILE 59 81.393 5.084 2.622 443 1HG1 ILE 59 HG12 ILE 59 83.642 6.505 1.935 444 2HG1 ILE 59 HG11 ILE 59 83.655 6.646 3.689 445 1HG2 ILE 59 HG21 ILE 59 80.164 7.182 1.953 446 2HG2 ILE 59 HG23 ILE 59 81.708 8.033 2.002 447 3HG2 ILE 59 HG22 ILE 59 81.462 6.726 0.847 448 1HD1 ILE 59 HD12 ILE 59 83.216 3.967 2.369 449 2HD1 ILE 59 HD11 ILE 59 84.843 4.600 2.607 450 3HD1 ILE 59 HD13 ILE 59 83.800 4.317 3.996 451 H ASN 60 HN ASN 60 79.659 8.460 4.533 452 HA ASN 60 HA ASN 60 77.258 6.672 4.309 453 1HB ASN 60 2HB ASN 60 77.594 9.254 5.865 454 2HB ASN 60 3HB ASN 60 76.042 8.467 5.596 455 1HD2 ASN 60 HD22 ASN 60 77.793 7.277 8.821 456 2HD2 ASN 60 HD21 ASN 60 77.652 8.846 8.188 457 H LYS 61 HN LYS 61 76.186 6.975 2.406 458 HA LYS 61 HA LYS 61 76.770 9.282 0.734 459 1HB LYS 61 2HB LYS 61 76.262 7.109 -0.275 460 2HB LYS 61 3HB LYS 61 74.667 7.119 0.471 461 1HG LYS 61 2HG LYS 61 73.916 8.907 -0.884 462 2HG LYS 61 3HG LYS 61 75.557 9.339 -1.363 463 1HD LYS 61 2HD LYS 61 75.740 7.100 -2.494 464 2HD LYS 61 3HD LYS 61 74.035 6.838 -2.148 465 1HE LYS 61 2HE LYS 61 75.131 9.174 -3.734 466 2HE LYS 61 3HE LYS 61 74.422 7.724 -4.444 467 1HZ LYS 61 HZ3 LYS 61 72.859 9.096 -2.408 468 2HZ LYS 61 HZ2 LYS 61 73.007 9.876 -3.909 469 3HZ LYS 61 HZ1 LYS 61 72.349 8.312 -3.821 470 H THR 62 HN THR 62 76.011 11.200 1.426 471 HA THR 62 HA THR 62 73.122 11.642 1.612 472 HB THR 62 HB THR 62 74.890 12.201 4.021 473 HG1 THR 62 HG1 THR 62 73.447 10.625 4.977 474 1HG2 THR 62 HG23 THR 62 72.154 12.983 3.196 475 2HG2 THR 62 HG22 THR 62 72.328 12.449 4.867 476 3HG2 THR 62 HG21 THR 62 73.288 13.807 4.270 477 H ALA 63 HN ALA 63 72.977 14.163 2.464 478 HA ALA 63 HA ALA 63 74.201 15.748 0.462 479 1HB ALA 63 HB3 ALA 63 72.238 16.227 2.197 480 2HB ALA 63 HB2 ALA 63 73.551 16.933 3.143 481 3HB ALA 63 HB1 ALA 63 73.190 17.558 1.533 482 H THR 64 HN THR 64 75.109 15.210 3.871 483 HA THR 64 HA THR 64 77.931 15.804 3.149 484 HB THR 64 HB THR 64 76.475 17.038 5.509 485 HG1 THR 64 HG1 THR 64 76.777 17.816 2.969 486 1HG2 THR 64 HG21 THR 64 79.275 16.545 4.943 487 2HG2 THR 64 HG23 THR 64 78.954 18.274 5.090 488 3HG2 THR 64 HG22 THR 64 78.529 17.182 6.408 489 H GLY 65 HN GLY 65 76.952 13.242 3.528 490 1HA GLY 65 2HA GLY 65 77.904 12.558 6.282 491 2HA GLY 65 3HA GLY 65 76.664 11.626 5.447 492 H TYR 66 HN TYR 66 78.366 12.112 2.889 493 HA TYR 66 HA TYR 66 79.522 9.669 2.501 494 1HB TYR 66 2HB TYR 66 80.762 12.326 1.757 495 2HB TYR 66 3HB TYR 66 81.231 10.774 1.068 496 HD1 TYR 66 HD1 TYR 66 79.492 9.404 -0.177 497 HD2 TYR 66 HD2 TYR 66 78.850 13.491 0.973 498 HE1 TYR 66 HE1 TYR 66 77.664 9.583 -1.840 499 HE2 TYR 66 HE2 TYR 66 77.016 13.671 -0.688 500 HH TYR 66 HH TYR 66 75.371 11.635 -1.850 501 H GLY 67 HN GLY 67 80.625 12.092 4.709 502 1HA GLY 67 2HA GLY 67 82.032 11.555 6.601 503 2HA GLY 67 3HA GLY 67 82.678 10.190 5.689 504 H PHE 68 HN PHE 68 84.556 10.493 4.517 505 HA PHE 68 HA PHE 68 86.242 12.674 5.053 506 1HB PHE 68 2HB PHE 68 86.191 10.777 2.698 507 2HB PHE 68 3HB PHE 68 87.461 11.975 2.929 508 HD1 PHE 68 HD1 PHE 68 85.855 8.968 4.405 509 HD2 PHE 68 HD2 PHE 68 89.160 11.701 4.575 510 HE1 PHE 68 HE1 PHE 68 87.035 7.442 5.965 511 HE2 PHE 68 HE2 PHE 68 90.344 10.179 6.129 512 HZ PHE 68 HZ PHE 68 89.285 8.049 6.825 513 H ALA 69 HN ALA 69 86.766 14.560 3.936 514 HA ALA 69 HA ALA 69 85.282 15.296 1.498 515 1HB ALA 69 HB2 ALA 69 83.865 15.925 3.564 516 2HB ALA 69 HB1 ALA 69 85.107 17.136 3.895 517 3HB ALA 69 HB3 ALA 69 84.185 17.204 2.392 518 H GLU 70 HN GLU 70 86.546 16.574 0.235 519 HA GLU 70 HA GLU 70 89.032 17.676 1.469 520 1HB GLU 70 2HB GLU 70 88.505 16.574 -1.302 521 2HB GLU 70 3HB GLU 70 89.983 17.433 -0.871 522 1HG GLU 70 2HG GLU 70 90.485 15.774 0.841 523 2HG GLU 70 3HG GLU 70 88.954 14.952 0.528 524 HA PRO 71 HA PRO 71 88.024 21.835 0.433 525 1HB PRO 71 2HB PRO 71 90.468 21.801 -1.305 526 2HB PRO 71 3HB PRO 71 89.967 22.999 -0.093 527 1HG PRO 71 2HG PRO 71 91.856 21.234 0.461 528 2HG PRO 71 3HG PRO 71 90.650 21.689 1.676 529 1HD PRO 71 2HD PRO 71 90.880 19.155 0.122 530 2HD PRO 71 3HD PRO 71 90.223 19.431 1.751 531 H TYR 72 HN TYR 72 86.274 21.949 -0.892 532 HA TYR 72 HA TYR 72 84.961 21.828 -2.839 533 1HB TYR 72 2HB TYR 72 85.895 23.125 -4.710 534 2HB TYR 72 3HB TYR 72 86.227 23.926 -3.176 535 HD1 TYR 72 HD2 TYR 72 88.467 23.896 -2.195 536 HD2 TYR 72 HD1 TYR 72 87.699 22.137 -6.038 537 HE1 TYR 72 HE2 TYR 72 90.901 23.830 -2.651 538 HE2 TYR 72 HE1 TYR 72 90.135 22.074 -6.494 539 HH TYR 72 HH TYR 72 92.158 22.405 -5.669 540 H ASN 73 HN ASN 73 84.676 19.633 -3.275 541 HA ASN 73 HA ASN 73 85.551 18.537 -5.674 542 1HB ASN 73 2HB ASN 73 87.242 16.814 -4.722 543 2HB ASN 73 3HB ASN 73 87.828 18.438 -5.069 544 1HD2 ASN 73 HD22 ASN 73 89.029 18.551 -1.749 545 2HD2 ASN 73 HD21 ASN 73 89.410 18.633 -3.402 546 H LEU 74 HN LEU 74 85.803 16.926 -2.490 547 HA LEU 74 HA LEU 74 84.528 15.161 -1.622 548 1HB LEU 74 2HB LEU 74 82.457 16.783 -3.111 549 2HB LEU 74 3HB LEU 74 82.025 15.332 -2.213 550 HG LEU 74 HG LEU 74 83.645 17.497 -0.896 551 1HD1 LEU 74 HD13 LEU 74 80.843 17.637 -1.771 552 2HD1 LEU 74 HD12 LEU 74 81.037 17.881 -0.033 553 3HD1 LEU 74 HD11 LEU 74 81.893 18.921 -1.171 554 1HD2 LEU 74 HD21 LEU 74 81.727 15.339 0.031 555 2HD2 LEU 74 HD23 LEU 74 83.469 15.376 0.271 556 3HD2 LEU 74 HD22 LEU 74 82.445 16.537 1.102 557 H TYR 75 HN TYR 75 85.803 14.983 -4.387 558 HA TYR 75 HA TYR 75 85.828 13.531 -6.229 559 1HB TYR 75 2HB TYR 75 85.315 11.185 -5.682 560 2HB TYR 75 3HB TYR 75 86.241 11.936 -4.379 561 HD1 TYR 75 HD2 TYR 75 82.904 10.754 -5.428 562 HD2 TYR 75 HD1 TYR 75 85.241 12.408 -2.225 563 HE1 TYR 75 HE2 TYR 75 81.069 10.270 -3.837 564 HE2 TYR 75 HE1 TYR 75 83.400 11.927 -0.636 565 HH TYR 75 HH TYR 75 81.016 9.860 -1.161 566 H SER 76 HN SER 76 84.563 13.779 -7.975 567 HA SER 76 HA SER 76 81.793 14.419 -7.861 568 1HB SER 76 2HB SER 76 81.820 14.289 -10.252 569 2HB SER 76 3HB SER 76 83.414 14.869 -9.775 570 HG SER 76 HG SER 76 82.816 12.722 -11.190 571 H SER 77 HN SER 77 83.421 11.291 -8.391 572 HA SER 77 HA SER 77 80.724 10.026 -8.130 573 1HB SER 77 2HB SER 77 83.018 9.142 -9.903 574 2HB SER 77 3HB SER 77 81.513 8.255 -9.684 575 HG SER 77 HG SER 77 80.688 10.591 -10.262 576 H LEU 78 HN LEU 78 80.704 7.949 -7.052 577 HA LEU 78 HA LEU 78 82.414 7.767 -4.786 578 1HB LEU 78 2HB LEU 78 80.648 5.710 -6.134 579 2HB LEU 78 3HB LEU 78 81.513 5.387 -4.630 580 HG LEU 78 HG LEU 78 79.648 7.741 -4.989 581 1HD1 LEU 78 HD11 LEU 78 78.496 5.519 -5.274 582 2HD1 LEU 78 HD13 LEU 78 79.065 5.078 -3.663 583 3HD1 LEU 78 HD12 LEU 78 77.945 6.429 -3.866 584 1HD2 LEU 78 HD22 LEU 78 81.462 6.795 -2.921 585 2HD2 LEU 78 HD21 LEU 78 80.567 8.312 -3.001 586 3HD2 LEU 78 HD23 LEU 78 79.807 6.876 -2.317 587 H LYS 79 HN LYS 79 82.609 6.246 -7.969 588 HA LYS 79 HA LYS 79 84.666 4.377 -7.399 589 1HB LYS 79 2HB LYS 79 84.018 5.926 -9.915 590 2HB LYS 79 3HB LYS 79 85.221 4.637 -9.850 591 1HG LYS 79 2HG LYS 79 83.524 3.041 -9.114 592 2HG LYS 79 3HG LYS 79 82.312 4.319 -9.055 593 1HD LYS 79 2HD LYS 79 81.927 3.275 -11.141 594 2HD LYS 79 3HD LYS 79 82.882 4.698 -11.552 595 1HE LYS 79 2HE LYS 79 84.934 3.327 -11.561 596 2HE LYS 79 3HE LYS 79 83.985 1.902 -11.146 597 1HZ LYS 79 HZ3 LYS 79 82.715 2.960 -13.321 598 2HZ LYS 79 HZ2 LYS 79 84.363 3.158 -13.683 599 3HZ LYS 79 HZ1 LYS 79 83.749 1.615 -13.320 600 H GLU 80 HN GLU 80 84.829 7.817 -8.320 601 HA GLU 80 HA GLU 80 87.673 7.952 -8.528 602 1HB GLU 80 2HB GLU 80 85.691 10.102 -7.705 603 2HB GLU 80 3HB GLU 80 87.379 10.396 -8.123 604 1HG GLU 80 2HG GLU 80 86.997 9.416 -10.357 605 2HG GLU 80 3HG GLU 80 85.300 9.155 -9.945 606 H LEU 81 HN LEU 81 85.464 8.147 -5.795 607 HA LEU 81 HA LEU 81 87.280 9.064 -3.825 608 1HB LEU 81 2HB LEU 81 84.846 8.835 -3.440 609 2HB LEU 81 3HB LEU 81 85.012 7.079 -3.492 610 HG LEU 81 HG LEU 81 86.856 8.478 -1.649 611 1HD1 LEU 81 HD12 LEU 81 83.876 8.624 -1.407 612 2HD1 LEU 81 HD11 LEU 81 84.823 8.348 0.056 613 3HD1 LEU 81 HD13 LEU 81 85.102 9.794 -0.914 614 1HD2 LEU 81 HD23 LEU 81 85.077 6.028 -1.513 615 2HD2 LEU 81 HD22 LEU 81 86.823 6.057 -1.760 616 3HD2 LEU 81 HD21 LEU 81 86.146 6.543 -0.206 617 H VAL 82 HN VAL 82 86.645 5.743 -4.992 618 HA VAL 82 HA VAL 82 88.463 4.471 -3.154 619 HB VAL 82 HB VAL 82 87.562 3.588 -5.916 620 1HG1 VAL 82 HG12 VAL 82 89.045 2.199 -3.679 621 2HG1 VAL 82 HG11 VAL 82 88.156 1.297 -4.906 622 3HG1 VAL 82 HG13 VAL 82 89.508 2.329 -5.374 623 1HG2 VAL 82 HG21 VAL 82 86.427 3.341 -3.145 624 2HG2 VAL 82 HG23 VAL 82 85.593 3.658 -4.667 625 3HG2 VAL 82 HG22 VAL 82 86.162 2.031 -4.296 626 H LEU 83 HN LEU 83 88.806 5.822 -6.408 627 HA LEU 83 HA LEU 83 91.526 5.007 -6.830 628 1HB LEU 83 2HB LEU 83 89.884 7.302 -7.931 629 2HB LEU 83 3HB LEU 83 91.497 6.894 -8.516 630 HG LEU 83 HG LEU 83 89.160 4.968 -8.471 631 1HD1 LEU 83 HD11 LEU 83 90.147 6.941 -10.493 632 2HD1 LEU 83 HD13 LEU 83 89.580 5.376 -11.079 633 3HD1 LEU 83 HD12 LEU 83 88.498 6.413 -10.151 634 1HD2 LEU 83 HD22 LEU 83 92.025 4.847 -9.388 635 2HD2 LEU 83 HD21 LEU 83 91.101 3.659 -8.471 636 3HD2 LEU 83 HD23 LEU 83 90.807 3.861 -10.197 637 H HIS 84 HN HIS 84 90.065 7.959 -5.479 638 HA HIS 84 HA HIS 84 92.460 9.464 -5.172 639 1HB HIS 84 2HB HIS 84 89.880 9.472 -3.594 640 2HB HIS 84 3HB HIS 84 91.177 10.630 -3.310 641 HD1 HIS 84 HD1 HIS 84 89.827 12.653 -4.155 642 HD2 HIS 84 HD2 HIS 84 90.194 9.632 -7.005 643 HE1 HIS 84 HE1 HIS 84 88.973 13.618 -6.335 644 H TYR 85 HN TYR 85 90.912 7.142 -2.926 645 HA TYR 85 HA TYR 85 92.864 7.584 -0.843 646 1HB TYR 85 2HB TYR 85 90.925 5.322 -1.371 647 2HB TYR 85 3HB TYR 85 92.032 5.316 -0.005 648 HD1 TYR 85 HD2 TYR 85 89.970 8.020 -1.603 649 HD2 TYR 85 HD1 TYR 85 90.875 5.803 1.965 650 HE1 TYR 85 HE2 TYR 85 88.416 9.453 -0.321 651 HE2 TYR 85 HE1 TYR 85 89.311 7.242 3.250 652 HH TYR 85 HH TYR 85 88.245 10.146 2.232 653 H GLN 86 HN GLN 86 92.813 5.717 -3.754 654 HA GLN 86 HA GLN 86 94.821 3.772 -3.111 655 1HB GLN 86 2HB GLN 86 93.378 3.661 -5.138 656 2HB GLN 86 3HB GLN 86 94.218 5.064 -5.790 657 1HG GLN 86 2HG GLN 86 96.318 3.866 -5.851 658 2HG GLN 86 3HG GLN 86 95.601 2.488 -5.013 659 1HE2 GLN 86 HE22 GLN 86 94.415 3.134 -8.908 660 2HE2 GLN 86 HE21 GLN 86 94.787 4.473 -7.933 661 H HIS 87 HN HIS 87 94.984 7.102 -4.329 662 HA HIS 87 HA HIS 87 97.939 6.962 -4.449 663 1HB HIS 87 2HB HIS 87 96.037 9.262 -5.016 664 2HB HIS 87 3HB HIS 87 97.783 9.303 -5.259 665 HD1 HIS 87 HD1 HIS 87 94.627 8.132 -6.804 666 HD2 HIS 87 HD2 HIS 87 98.710 7.490 -7.361 667 HE1 HIS 87 HE1 HIS 87 94.876 6.999 -9.054 668 H THR 88 HN THR 88 95.438 7.917 -2.283 669 HA THR 88 HA THR 88 97.326 9.552 -0.660 670 HB THR 88 HB THR 88 94.368 9.038 -0.213 671 HG1 THR 88 HG1 THR 88 95.354 10.308 -2.156 672 1HG2 THR 88 HG23 THR 88 96.347 10.094 1.467 673 2HG2 THR 88 HG22 THR 88 95.501 11.503 0.827 674 3HG2 THR 88 HG21 THR 88 94.601 10.245 1.675 675 H SER 89 HN SER 89 98.003 8.871 1.364 676 HA SER 89 HA SER 89 97.605 6.003 1.948 677 1HB SER 89 2HB SER 89 99.877 6.908 2.060 678 2HB SER 89 3HB SER 89 99.364 8.110 3.237 679 HG SER 89 HG SER 89 100.371 5.989 3.950 680 H LEU 90 HN LEU 90 96.209 5.287 3.502 681 HA LEU 90 HA LEU 90 94.370 7.036 4.801 682 1HB LEU 90 2HB LEU 90 95.127 4.149 5.252 683 2HB LEU 90 3HB LEU 90 93.968 4.966 6.307 684 HG LEU 90 HG LEU 90 92.692 5.651 4.254 685 1HD1 LEU 90 HD13 LEU 90 94.825 3.931 3.016 686 2HD1 LEU 90 HD12 LEU 90 93.262 4.137 2.234 687 3HD1 LEU 90 HD11 LEU 90 94.288 5.536 2.533 688 1HD2 LEU 90 HD22 LEU 90 92.570 3.293 5.658 689 2HD2 LEU 90 HD21 LEU 90 91.422 3.758 4.400 690 3HD2 LEU 90 HD23 LEU 90 92.781 2.706 4.009 691 H VAL 91 HN VAL 91 97.575 6.052 5.708 692 HA VAL 91 HA VAL 91 97.907 6.065 8.360 693 HB VAL 91 HB VAL 91 99.740 6.489 6.702 694 1HG1 VAL 91 HG11 VAL 91 98.809 9.358 6.995 695 2HG1 VAL 91 HG13 VAL 91 100.276 8.843 6.166 696 3HG1 VAL 91 HG12 VAL 91 98.699 8.383 5.529 697 1HG2 VAL 91 HG23 VAL 91 99.884 6.809 9.288 698 2HG2 VAL 91 HG22 VAL 91 101.180 7.467 8.288 699 3HG2 VAL 91 HG21 VAL 91 99.922 8.533 8.911 700 H GLN 92 HN GLN 92 96.700 8.920 6.628 701 HA GLN 92 HA GLN 92 96.754 10.940 8.474 702 1HB GLN 92 2HB GLN 92 94.317 10.146 6.857 703 2HB GLN 92 3HB GLN 92 94.606 11.736 7.569 704 1HG GLN 92 2HG GLN 92 96.699 11.929 6.230 705 2HG GLN 92 3HG GLN 92 96.325 10.381 5.472 706 1HE2 GLN 92 HE22 GLN 92 93.497 11.724 3.643 707 2HE2 GLN 92 HE21 GLN 92 93.969 10.334 4.491 708 H HIS 93 HN HIS 93 94.657 11.782 9.675 709 HA HIS 93 HA HIS 93 93.293 11.583 11.565 710 1HB HIS 93 2HB HIS 93 92.993 8.767 10.476 711 2HB HIS 93 3HB HIS 93 92.080 9.392 11.841 712 HD1 HIS 93 HD1 HIS 93 90.221 11.114 11.361 713 HD2 HIS 93 HD2 HIS 93 92.249 9.875 7.936 714 HE1 HIS 93 HE1 HIS 93 88.838 11.893 9.388 715 H ASN 94 HN ASN 94 93.701 8.285 12.195 716 HA ASN 94 HA ASN 94 94.990 8.699 14.696 717 1HB ASN 94 2HB ASN 94 94.667 6.225 12.988 718 2HB ASN 94 3HB ASN 94 95.366 6.187 14.603 719 1HD2 ASN 94 HD22 ASN 94 91.631 5.638 14.825 720 2HD2 ASN 94 HD21 ASN 94 92.854 4.869 13.937 721 H ASP 95 HN ASP 95 96.357 8.950 11.639 722 HA ASP 95 HA ASP 95 98.605 9.039 10.932 723 1HB ASP 95 2HB ASP 95 98.704 10.583 12.917 724 2HB ASP 95 3HB ASP 95 99.190 9.200 13.899 725 H SER 96 HN SER 96 97.320 6.410 11.644 726 HA SER 96 HA SER 96 99.859 4.901 11.809 727 1HB SER 96 2HB SER 96 98.918 3.332 13.479 728 2HB SER 96 3HB SER 96 99.024 4.968 14.124 729 HG SER 96 HG SER 96 96.990 4.486 14.575 730 H LEU 97 HN LEU 97 97.393 5.505 9.926 731 HA LEU 97 HA LEU 97 96.782 2.654 9.274 732 1HB LEU 97 2HB LEU 97 95.490 5.266 8.443 733 2HB LEU 97 3HB LEU 97 95.113 3.724 7.671 734 HG LEU 97 HG LEU 97 94.633 2.823 10.002 735 1HD1 LEU 97 HD11 LEU 97 95.523 5.470 10.686 736 2HD1 LEU 97 HD13 LEU 97 93.853 5.258 11.208 737 3HD1 LEU 97 HD12 LEU 97 95.100 4.137 11.756 738 1HD2 LEU 97 HD22 LEU 97 93.044 4.406 8.222 739 2HD2 LEU 97 HD21 LEU 97 92.522 3.099 9.287 740 3HD2 LEU 97 HD23 LEU 97 92.544 4.763 9.876 741 H ASN 98 HN ASN 98 99.155 2.672 8.589 742 HA ASN 98 HA ASN 98 99.810 4.163 6.173 743 1HB ASN 98 2HB ASN 98 101.463 3.483 7.937 744 2HB ASN 98 3HB ASN 98 101.284 1.816 7.380 745 1HD2 ASN 98 HD22 ASN 98 102.889 4.482 4.673 746 2HD2 ASN 98 HD21 ASN 98 101.637 4.998 5.700 747 H VAL 99 HN VAL 99 98.172 3.499 4.716 748 HA VAL 99 HA VAL 99 98.884 1.131 3.183 749 HB VAL 99 HB VAL 99 97.474 0.116 4.962 750 1HG1 VAL 99 HG12 VAL 99 95.364 2.000 3.870 751 2HG1 VAL 99 HG11 VAL 99 95.066 0.722 5.040 752 3HG1 VAL 99 HG13 VAL 99 96.092 2.089 5.471 753 1HG2 VAL 99 HG22 VAL 99 97.459 -0.831 2.672 754 2HG2 VAL 99 HG21 VAL 99 95.887 -1.020 3.452 755 3HG2 VAL 99 HG23 VAL 99 96.126 0.240 2.241 756 H THR 100 HN THR 100 97.596 1.014 1.207 757 HA THR 100 HA THR 100 96.138 3.539 0.563 758 HB THR 100 HB THR 100 97.388 2.603 -1.799 759 HG1 THR 100 HG1 THR 100 99.558 3.192 -0.389 760 1HG2 THR 100 HG23 THR 100 96.804 4.939 -1.185 761 2HG2 THR 100 HG22 THR 100 98.126 4.939 -0.018 762 3HG2 THR 100 HG21 THR 100 98.472 4.788 -1.744 763 H LEU 101 HN LEU 101 94.203 3.140 -0.468 764 HA LEU 101 HA LEU 101 93.298 0.393 -0.719 765 1HB LEU 101 2HB LEU 101 92.090 2.901 -1.935 766 2HB LEU 101 3HB LEU 101 91.263 1.364 -1.650 767 HG LEU 101 HG LEU 101 92.380 3.247 0.440 768 1HD1 LEU 101 HD13 LEU 101 89.999 3.423 -0.808 769 2HD1 LEU 101 HD12 LEU 101 89.574 2.252 0.437 770 3HD1 LEU 101 HD11 LEU 101 90.200 3.831 0.894 771 1HD2 LEU 101 HD21 LEU 101 91.508 0.402 0.550 772 2HD2 LEU 101 HD23 LEU 101 92.815 1.191 1.415 773 3HD2 LEU 101 HD22 LEU 101 91.144 1.438 1.923 774 H ALA 102 HN ALA 102 95.222 -0.236 -2.105 775 HA ALA 102 HA ALA 102 94.747 0.476 -4.966 776 1HB ALA 102 HB2 ALA 102 96.999 1.055 -3.788 777 2HB ALA 102 HB1 ALA 102 97.331 -0.671 -3.936 778 3HB ALA 102 HB3 ALA 102 97.050 0.299 -5.381 779 H TYR 103 HN TYR 103 94.548 -2.107 -2.721 780 HA TYR 103 HA TYR 103 94.706 -4.034 -5.008 781 1HB TYR 103 2HB TYR 103 96.476 -4.353 -3.297 782 2HB TYR 103 3HB TYR 103 95.224 -4.617 -2.087 783 HD1 TYR 103 HD2 TYR 103 96.727 -5.921 -5.202 784 HD2 TYR 103 HD1 TYR 103 93.997 -6.710 -1.989 785 HE1 TYR 103 HE2 TYR 103 96.579 -8.291 -5.904 786 HE2 TYR 103 HE1 TYR 103 93.843 -9.078 -2.691 787 HH TYR 103 HH TYR 103 95.920 -10.603 -4.481 788 HA PRO 104 HA PRO 104 90.244 -4.149 -3.969 789 1HB PRO 104 2HB PRO 104 90.328 -6.027 -6.270 790 2HB PRO 104 3HB PRO 104 89.303 -4.612 -6.006 791 1HG PRO 104 2HG PRO 104 91.312 -4.584 -7.766 792 2HG PRO 104 3HG PRO 104 90.868 -3.151 -6.821 793 1HD PRO 104 2HD PRO 104 93.196 -4.986 -6.468 794 2HD PRO 104 3HD PRO 104 93.071 -3.237 -6.169 795 H VAL 105 HN VAL 105 89.028 -5.784 -2.895 796 HA VAL 105 HA VAL 105 90.525 -8.020 -1.845 797 HB VAL 105 HB VAL 105 88.650 -6.866 -0.639 798 1HG1 VAL 105 HG12 VAL 105 87.267 -7.209 -2.975 799 2HG1 VAL 105 HG11 VAL 105 86.633 -8.545 -2.015 800 3HG1 VAL 105 HG13 VAL 105 86.501 -6.889 -1.421 801 1HG2 VAL 105 HG21 VAL 105 88.890 -9.816 -1.025 802 2HG2 VAL 105 HG23 VAL 105 89.118 -8.850 0.433 803 3HG2 VAL 105 HG22 VAL 105 87.490 -9.238 -0.121 804 H TYR 106 HN TYR 106 88.155 -7.657 -4.458 805 HA TYR 106 HA TYR 106 88.626 -10.531 -5.160 806 1HB TYR 106 2HB TYR 106 86.184 -8.806 -5.460 807 2HB TYR 106 3HB TYR 106 86.394 -10.281 -6.403 808 HD1 TYR 106 HD1 TYR 106 87.323 -12.330 -4.834 809 HD2 TYR 106 HD2 TYR 106 84.921 -9.012 -3.547 810 HE1 TYR 106 HE1 TYR 106 86.487 -13.676 -2.926 811 HE2 TYR 106 HE2 TYR 106 84.089 -10.354 -1.636 812 HH TYR 106 HH TYR 106 83.807 -12.784 -1.089 813 H ALA 107 HN ALA 107 90.522 -8.918 -6.140 814 HA ALA 107 HA ALA 107 89.879 -7.638 -8.643 815 1HB ALA 107 HB3 ALA 107 92.104 -7.710 -7.075 816 2HB ALA 107 HB2 ALA 107 92.566 -8.848 -8.341 817 3HB ALA 107 HB1 ALA 107 92.124 -7.195 -8.764 818 H GLN 108 HN GLN 108 89.118 -8.736 -10.398 819 HA GLN 108 HA GLN 108 89.119 -11.566 -10.646 820 1HB GLN 108 2HB GLN 108 87.601 -10.005 -11.878 821 2HB GLN 108 3HB GLN 108 88.962 -9.551 -12.903 822 1HG GLN 108 2HG GLN 108 89.206 -11.870 -13.649 823 2HG GLN 108 3HG GLN 108 87.909 -12.376 -12.569 824 1HE2 GLN 108 HE22 GLN 108 85.503 -11.730 -15.040 825 2HE2 GLN 108 HE21 GLN 108 86.038 -12.716 -13.763 826 H GLN 109 HN GLN 109 91.411 -9.139 -11.890 827 HA GLN 109 HA GLN 109 92.892 -10.940 -13.546 828 1HB GLN 109 2HB GLN 109 93.738 -8.428 -12.073 829 2HB GLN 109 3HB GLN 109 94.788 -9.296 -13.192 830 1HG GLN 109 2HG GLN 109 93.215 -8.951 -15.015 831 2HG GLN 109 3HG GLN 109 92.047 -8.216 -13.917 832 1HE2 GLN 109 HE22 GLN 109 95.482 -5.998 -14.279 833 2HE2 GLN 109 HE21 GLN 109 95.581 -7.648 -13.894 834 H ARG 110 HN ARG 110 93.259 -10.049 -10.117 835 HA ARG 110 HA ARG 110 95.592 -11.656 -9.650 836 1HB ARG 110 2HB ARG 110 93.427 -10.741 -7.736 837 2HB ARG 110 3HB ARG 110 94.978 -11.417 -7.251 838 1HG ARG 110 2HG ARG 110 94.666 -8.936 -8.968 839 2HG ARG 110 3HG ARG 110 94.959 -8.914 -7.228 840 1HD ARG 110 2HD ARG 110 96.986 -10.457 -7.791 841 2HD ARG 110 3HD ARG 110 96.782 -9.844 -9.432 842 HE ARG 110 HE ARG 110 96.819 -7.552 -7.900 843 1HH1 ARG 110 HH21 ARG 110 98.817 -10.353 -8.211 844 2HH1 ARG 110 HH22 ARG 110 100.282 -9.510 -7.843 845 1HH2 ARG 110 HH11 ARG 110 98.725 -6.441 -7.417 846 2HH2 ARG 110 HH12 ARG 110 100.231 -7.298 -7.402 847 H ARG 111 HN ARG 111 92.139 -12.325 -9.535 848 HA ARG 111 HA ARG 111 92.782 -15.214 -9.058 849 1HB ARG 111 2HB ARG 111 90.399 -13.599 -8.098 850 2HB ARG 111 3HB ARG 111 90.578 -15.342 -7.895 851 1HG ARG 111 2HG ARG 111 92.662 -14.961 -6.602 852 2HG ARG 111 3HG ARG 111 92.434 -13.219 -6.775 853 1HD ARG 111 2HD ARG 111 91.553 -13.906 -4.613 854 2HD ARG 111 3HD ARG 111 90.211 -13.442 -5.658 855 HE ARG 111 HE ARG 111 90.393 -16.162 -6.068 856 1HH1 ARG 111 HH21 ARG 111 90.244 -14.078 -3.334 857 2HH1 ARG 111 HH22 ARG 111 89.381 -15.204 -2.341 858 1HH2 ARG 111 HH11 ARG 111 89.212 -17.647 -4.799 859 2HH2 ARG 111 HH12 ARG 111 88.793 -17.223 -3.172 No H/Q in entry = 859 Start of MODEL 27 1 1H GLU 1 HT3 GLU 1 96.071 0.819 -18.959 2 2H GLU 1 HT2 GLU 1 96.785 0.364 -17.486 3 3H GLU 1 HT1 GLU 1 97.591 0.070 -18.950 4 HA GLU 1 HA GLU 1 95.920 -1.517 -19.618 5 1HB GLU 1 2HB GLU 1 96.983 -1.946 -16.808 6 2HB GLU 1 3HB GLU 1 96.335 -3.219 -17.841 7 1HG GLU 1 2HG GLU 1 98.735 -1.475 -18.455 8 2HG GLU 1 3HG GLU 1 98.781 -3.177 -18.006 9 H ASP 2 HN ASP 2 94.396 -3.131 -18.022 10 HA ASP 2 HA ASP 2 92.063 -1.429 -17.514 11 1HB ASP 2 2HB ASP 2 91.861 -3.667 -18.605 12 2HB ASP 2 3HB ASP 2 92.406 -4.415 -17.101 13 H LEU 3 HN LEU 3 91.658 -0.538 -15.556 14 HA LEU 3 HA LEU 3 93.174 -1.499 -13.205 15 1HB LEU 3 2HB LEU 3 91.416 0.927 -13.630 16 2HB LEU 3 3HB LEU 3 92.262 0.566 -12.124 17 HG LEU 3 HG LEU 3 93.596 0.942 -14.824 18 1HD1 LEU 3 HD13 LEU 3 93.294 2.757 -12.419 19 2HD1 LEU 3 HD12 LEU 3 94.459 3.042 -13.711 20 3HD1 LEU 3 HD11 LEU 3 92.729 3.062 -14.063 21 1HD2 LEU 3 HD23 LEU 3 94.581 0.310 -12.048 22 2HD2 LEU 3 HD22 LEU 3 95.039 -0.436 -13.577 23 3HD2 LEU 3 HD21 LEU 3 95.615 1.182 -13.177 24 HA PRO 4 HA PRO 4 89.676 -3.956 -11.795 25 1HB PRO 4 2HB PRO 4 90.787 -3.324 -9.109 26 2HB PRO 4 3HB PRO 4 90.404 -4.900 -9.826 27 1HG PRO 4 2HG PRO 4 92.920 -4.002 -9.533 28 2HG PRO 4 3HG PRO 4 92.423 -5.068 -10.854 29 1HD PRO 4 2HD PRO 4 93.123 -2.186 -10.939 30 2HD PRO 4 3HD PRO 4 93.181 -3.410 -12.229 31 H HIS 5 HN HIS 5 90.458 -0.737 -10.849 32 HA HIS 5 HA HIS 5 88.322 -0.191 -9.046 33 1HB HIS 5 2HB HIS 5 89.732 1.656 -10.994 34 2HB HIS 5 3HB HIS 5 88.723 2.182 -9.646 35 HD1 HIS 5 HD1 HIS 5 89.586 0.727 -7.280 36 HD2 HIS 5 HD2 HIS 5 92.364 1.783 -10.207 37 HE1 HIS 5 HE1 HIS 5 91.862 0.661 -6.169 38 H HIS 6 HN HIS 6 88.349 -0.554 -12.532 39 HA HIS 6 HA HIS 6 85.982 0.990 -13.068 40 1HB HIS 6 2HB HIS 6 87.182 -1.364 -14.560 41 2HB HIS 6 3HB HIS 6 85.841 -0.389 -15.163 42 HD1 HIS 6 HD1 HIS 6 86.457 2.367 -15.034 43 HD2 HIS 6 HD2 HIS 6 89.607 -0.338 -15.440 44 HE1 HIS 6 HE1 HIS 6 88.454 3.703 -15.845 45 H ASP 7 HN ASP 7 86.467 -2.394 -12.130 46 HA ASP 7 HA ASP 7 83.543 -2.815 -12.153 47 1HB ASP 7 2HB ASP 7 85.850 -4.721 -11.669 48 2HB ASP 7 3HB ASP 7 84.148 -5.190 -11.624 49 H GLU 8 HN GLU 8 82.383 -2.646 -10.307 50 HA GLU 8 HA GLU 8 83.657 -1.926 -7.811 51 1HB GLU 8 2HB GLU 8 80.808 -2.722 -8.457 52 2HB GLU 8 3HB GLU 8 81.339 -2.132 -6.883 53 1HG GLU 8 2HG GLU 8 80.658 -0.143 -7.827 54 2HG GLU 8 3HG GLU 8 82.338 -0.165 -8.360 55 H LYS 9 HN LYS 9 82.517 -4.895 -9.248 56 HA LYS 9 HA LYS 9 82.281 -6.510 -6.931 57 1HB LYS 9 2HB LYS 9 82.508 -8.397 -8.414 58 2HB LYS 9 3HB LYS 9 81.636 -7.141 -9.291 59 1HG LYS 9 2HG LYS 9 83.201 -7.278 -10.902 60 2HG LYS 9 3HG LYS 9 84.338 -6.564 -9.758 61 1HD LYS 9 2HD LYS 9 84.418 -9.140 -8.923 62 2HD LYS 9 3HD LYS 9 84.052 -9.393 -10.631 63 1HE LYS 9 2HE LYS 9 85.962 -7.720 -11.089 64 2HE LYS 9 3HE LYS 9 86.421 -7.981 -9.408 65 1HZ LYS 9 HZ3 LYS 9 86.168 -10.482 -10.147 66 2HZ LYS 9 HZ2 LYS 9 86.521 -9.827 -11.675 67 3HZ LYS 9 HZ1 LYS 9 87.613 -9.624 -10.388 68 H THR 10 HN THR 10 85.084 -5.213 -8.499 69 HA THR 10 HA THR 10 87.029 -7.096 -7.526 70 HB THR 10 HB THR 10 88.624 -5.118 -7.867 71 HG1 THR 10 HG1 THR 10 86.808 -3.743 -9.304 72 1HG2 THR 10 HG23 THR 10 86.772 -5.953 -10.105 73 2HG2 THR 10 HG22 THR 10 88.303 -5.117 -10.339 74 3HG2 THR 10 HG21 THR 10 88.283 -6.736 -9.644 75 H TRP 11 HN TRP 11 85.490 -4.277 -6.042 76 HA TRP 11 HA TRP 11 86.980 -4.947 -3.535 77 1HB TRP 11 2HB TRP 11 86.389 -2.291 -3.242 78 2HB TRP 11 3HB TRP 11 87.944 -2.908 -3.814 79 HD1 TRP 11 HD1 TRP 11 88.141 -3.196 -6.559 80 HE1 TRP 11 HE1 TRP 11 87.184 -1.696 -8.418 81 HE3 TRP 11 HE3 TRP 11 84.557 -0.749 -3.909 82 HZ2 TRP 11 HZ2 TRP 11 85.156 0.320 -8.722 83 HZ3 TRP 11 HZ3 TRP 11 83.125 0.955 -4.991 84 HH2 TRP 11 HH2 TRP 11 83.418 1.494 -7.392 85 H ASN 12 HN ASN 12 83.995 -3.794 -5.010 86 HA ASN 12 HA ASN 12 82.673 -3.477 -2.427 87 1HB ASN 12 2HB ASN 12 80.868 -2.653 -3.622 88 2HB ASN 12 3HB ASN 12 82.190 -2.301 -4.732 89 1HD2 ASN 12 HD22 ASN 12 79.451 -4.075 -6.591 90 2HD2 ASN 12 HD21 ASN 12 79.514 -2.659 -5.657 91 H VAL 13 HN VAL 13 81.123 -4.811 -1.535 92 HA VAL 13 HA VAL 13 80.899 -7.538 -2.742 93 HB VAL 13 HB VAL 13 80.882 -8.425 -0.433 94 1HG1 VAL 13 HG13 VAL 13 83.044 -7.743 -1.871 95 2HG1 VAL 13 HG12 VAL 13 83.313 -6.696 -0.480 96 3HG1 VAL 13 HG11 VAL 13 83.181 -8.440 -0.259 97 1HG2 VAL 13 HG22 VAL 13 81.466 -5.537 0.306 98 2HG2 VAL 13 HG21 VAL 13 79.968 -6.398 0.653 99 3HG2 VAL 13 HG23 VAL 13 81.472 -6.901 1.428 100 H GLY 14 HN GLY 14 79.304 -4.762 -1.860 101 1HA GLY 14 2HA GLY 14 77.019 -4.251 -1.706 102 2HA GLY 14 3HA GLY 14 76.691 -5.884 -2.277 103 H SER 15 HN SER 15 75.316 -6.806 -0.828 104 HA SER 15 HA SER 15 75.269 -6.093 1.961 105 1HB SER 15 2HB SER 15 74.070 -8.402 0.415 106 2HB SER 15 3HB SER 15 73.839 -8.204 2.154 107 HG SER 15 HG SER 15 73.371 -5.862 1.065 108 H SER 16 HN SER 16 76.320 -7.040 3.671 109 HA SER 16 HA SER 16 77.677 -9.613 3.459 110 1HB SER 16 2HB SER 16 79.956 -8.708 3.808 111 2HB SER 16 3HB SER 16 79.300 -8.166 2.268 112 HG SER 16 HG SER 16 79.070 -6.174 3.056 113 H ASN 17 HN ASN 17 78.834 -10.079 5.562 114 HA ASN 17 HA ASN 17 77.471 -8.614 7.782 115 1HB ASN 17 2HB ASN 17 78.602 -11.415 7.582 116 2HB ASN 17 3HB ASN 17 78.094 -10.693 9.111 117 1HD2 ASN 17 HD22 ASN 17 75.307 -12.183 6.618 118 2HD2 ASN 17 HD21 ASN 17 76.970 -12.392 6.352 119 H ARG 18 HN ARG 18 78.769 -7.691 9.426 120 HA ARG 18 HA ARG 18 81.451 -6.995 8.742 121 1HB ARG 18 2HB ARG 18 80.055 -6.960 11.432 122 2HB ARG 18 3HB ARG 18 81.653 -6.275 11.144 123 1HG ARG 18 2HG ARG 18 80.489 -4.956 9.220 124 2HG ARG 18 3HG ARG 18 78.996 -5.358 10.065 125 1HD ARG 18 2HD ARG 18 81.342 -3.763 11.087 126 2HD ARG 18 3HD ARG 18 79.669 -3.243 10.949 127 HE ARG 18 HE ARG 18 80.836 -4.478 13.228 128 1HH1 ARG 18 HH21 ARG 18 78.031 -4.766 11.234 129 2HH1 ARG 18 HH22 ARG 18 77.154 -5.708 12.392 130 1HH2 ARG 18 HH11 ARG 18 79.702 -5.670 14.746 131 2HH2 ARG 18 HH12 ARG 18 78.099 -6.219 14.383 132 H ASN 19 HN ASN 19 80.160 -9.615 10.753 133 HA ASN 19 HA ASN 19 82.630 -10.457 11.873 134 1HB ASN 19 2HB ASN 19 80.097 -11.953 11.183 135 2HB ASN 19 3HB ASN 19 81.466 -12.740 11.966 136 1HD2 ASN 19 HD22 ASN 19 78.959 -11.013 14.390 137 2HD2 ASN 19 HD21 ASN 19 78.616 -11.803 12.927 138 H LYS 20 HN LYS 20 81.027 -11.584 8.857 139 HA LYS 20 HA LYS 20 83.227 -13.310 8.150 140 1HB LYS 20 2HB LYS 20 82.054 -13.771 6.209 141 2HB LYS 20 3HB LYS 20 80.746 -13.189 7.238 142 1HG LYS 20 2HG LYS 20 81.037 -10.923 6.284 143 2HG LYS 20 3HG LYS 20 82.278 -11.552 5.202 144 1HD LYS 20 2HD LYS 20 80.187 -13.323 4.847 145 2HD LYS 20 3HD LYS 20 79.368 -11.770 5.024 146 1HE LYS 20 2HE LYS 20 80.967 -10.829 3.314 147 2HE LYS 20 3HE LYS 20 81.548 -12.476 3.047 148 1HZ LYS 20 HZ1 LYS 20 78.900 -12.809 2.918 149 2HZ LYS 20 HZ3 LYS 20 79.051 -11.252 2.264 150 3HZ LYS 20 HZ2 LYS 20 79.894 -12.551 1.565 151 H ALA 21 HN ALA 21 82.578 -9.897 7.758 152 HA ALA 21 HA ALA 21 84.466 -9.344 5.677 153 1HB ALA 21 HB3 ALA 21 82.707 -7.786 6.962 154 2HB ALA 21 HB2 ALA 21 84.130 -7.401 7.929 155 3HB ALA 21 HB1 ALA 21 84.140 -7.105 6.190 156 H GLU 22 HN GLU 22 84.750 -9.873 9.147 157 HA GLU 22 HA GLU 22 87.459 -9.028 9.481 158 1HB GLU 22 2HB GLU 22 85.823 -11.151 10.901 159 2HB GLU 22 3HB GLU 22 87.457 -10.702 11.394 160 1HG GLU 22 2HG GLU 22 86.753 -8.387 11.747 161 2HG GLU 22 3HG GLU 22 85.128 -8.773 11.169 162 H ASN 23 HN ASN 23 86.038 -12.197 8.676 163 HA ASN 23 HA ASN 23 88.496 -13.608 8.368 164 1HB ASN 23 2HB ASN 23 85.783 -13.963 7.063 165 2HB ASN 23 3HB ASN 23 87.125 -15.070 6.780 166 1HD2 ASN 23 HD22 ASN 23 85.043 -16.307 9.682 167 2HD2 ASN 23 HD21 ASN 23 84.673 -15.898 8.076 168 H LEU 24 HN LEU 24 86.543 -11.743 6.012 169 HA LEU 24 HA LEU 24 88.392 -12.188 3.828 170 1HB LEU 24 2HB LEU 24 86.254 -10.101 4.319 171 2HB LEU 24 3HB LEU 24 87.222 -10.142 2.848 172 HG LEU 24 HG LEU 24 85.679 -12.553 3.813 173 1HD1 LEU 24 HD11 LEU 24 84.808 -10.257 2.047 174 2HD1 LEU 24 HD13 LEU 24 83.997 -11.824 2.042 175 3HD1 LEU 24 HD12 LEU 24 84.020 -10.846 3.512 176 1HD2 LEU 24 HD21 LEU 24 87.575 -12.139 1.779 177 2HD2 LEU 24 HD23 LEU 24 86.501 -13.529 1.940 178 3HD2 LEU 24 HD22 LEU 24 86.021 -12.151 0.948 179 H LEU 25 HN LEU 25 88.241 -10.026 6.543 180 HA LEU 25 HA LEU 25 90.399 -8.306 5.439 181 1HB LEU 25 2HB LEU 25 88.761 -8.153 7.988 182 2HB LEU 25 3HB LEU 25 90.026 -7.007 7.565 183 HG LEU 25 HG LEU 25 87.753 -7.583 5.667 184 1HD1 LEU 25 HD11 LEU 25 87.077 -6.766 8.081 185 2HD1 LEU 25 HD13 LEU 25 87.742 -5.225 7.535 186 3HD1 LEU 25 HD12 LEU 25 86.395 -5.963 6.667 187 1HD2 LEU 25 HD21 LEU 25 89.800 -5.394 6.072 188 2HD2 LEU 25 HD23 LEU 25 89.554 -6.403 4.648 189 3HD2 LEU 25 HD22 LEU 25 88.377 -5.160 5.062 190 H ARG 26 HN ARG 26 90.018 -11.102 7.292 191 HA ARG 26 HA ARG 26 92.590 -10.659 8.733 192 1HB ARG 26 2HB ARG 26 90.225 -12.472 9.213 193 2HB ARG 26 3HB ARG 26 91.792 -12.794 9.969 194 1HG ARG 26 2HG ARG 26 91.729 -10.367 10.785 195 2HG ARG 26 3HG ARG 26 90.029 -10.362 10.300 196 1HD ARG 26 2HD ARG 26 91.280 -12.377 12.189 197 2HD ARG 26 3HD ARG 26 90.313 -10.984 12.697 198 HE ARG 26 HE ARG 26 88.656 -12.285 10.917 199 1HH1 ARG 26 HH21 ARG 26 90.482 -13.174 13.702 200 2HH1 ARG 26 HH22 ARG 26 89.396 -14.438 14.176 201 1HH2 ARG 26 HH11 ARG 26 87.245 -13.953 11.500 202 2HH2 ARG 26 HH12 ARG 26 87.563 -14.882 12.928 203 H GLY 27 HN GLY 27 94.363 -11.806 8.148 204 1HA GLY 27 2HA GLY 27 95.433 -13.892 7.453 205 2HA GLY 27 3HA GLY 27 93.994 -14.276 6.507 206 H LYS 28 HN LYS 28 94.427 -11.091 5.941 207 HA LYS 28 HA LYS 28 96.269 -11.636 3.662 208 1HB LYS 28 2HB LYS 28 94.897 -10.031 2.347 209 2HB LYS 28 3HB LYS 28 93.995 -11.459 2.856 210 1HG LYS 28 2HG LYS 28 93.047 -10.210 4.747 211 2HG LYS 28 3HG LYS 28 93.970 -8.782 4.272 212 1HD LYS 28 2HD LYS 28 91.598 -8.739 3.459 213 2HD LYS 28 3HD LYS 28 92.782 -8.658 2.159 214 1HE LYS 28 2HE LYS 28 92.410 -10.862 1.488 215 2HE LYS 28 3HE LYS 28 91.732 -11.325 3.049 216 1HZ LYS 28 HZ1 LYS 28 89.911 -9.649 2.471 217 2HZ LYS 28 HZ3 LYS 28 90.481 -9.767 0.877 218 3HZ LYS 28 HZ2 LYS 28 89.897 -11.150 1.673 219 H ARG 29 HN ARG 29 97.501 -9.868 2.925 220 HA ARG 29 HA ARG 29 98.585 -8.202 5.025 221 1HB ARG 29 2HB ARG 29 99.832 -9.218 3.029 222 2HB ARG 29 3HB ARG 29 99.133 -7.920 2.067 223 1HG ARG 29 2HG ARG 29 100.078 -6.333 3.876 224 2HG ARG 29 3HG ARG 29 101.058 -7.707 4.379 225 1HD ARG 29 2HD ARG 29 100.981 -6.644 1.542 226 2HD ARG 29 3HD ARG 29 102.213 -6.207 2.728 227 HE ARG 29 HE ARG 29 102.256 -8.976 2.727 228 1HH1 ARG 29 HH21 ARG 29 102.453 -6.490 0.332 229 2HH1 ARG 29 HH22 ARG 29 103.503 -7.400 -0.705 230 1HH2 ARG 29 HH11 ARG 29 103.623 -10.155 1.388 231 2HH2 ARG 29 HH12 ARG 29 104.169 -9.466 -0.103 232 H ASP 30 HN ASP 30 98.776 -5.843 4.891 233 HA ASP 30 HA ASP 30 96.302 -4.480 4.590 234 1HB ASP 30 2HB ASP 30 97.593 -2.433 4.835 235 2HB ASP 30 3HB ASP 30 98.203 -3.645 5.960 236 H GLY 31 HN GLY 31 95.972 -2.602 3.095 237 1HA GLY 31 2HA GLY 31 96.308 -1.546 0.937 238 2HA GLY 31 3HA GLY 31 97.231 -2.960 0.422 239 H THR 32 HN THR 32 95.284 -4.888 1.430 240 HA THR 32 HA THR 32 93.438 -4.824 -0.854 241 HB THR 32 HB THR 32 93.607 -6.797 1.442 242 HG1 THR 32 HG1 THR 32 95.377 -7.372 0.507 243 1HG2 THR 32 HG23 THR 32 92.235 -6.783 -1.246 244 2HG2 THR 32 HG22 THR 32 92.594 -8.289 -0.402 245 3HG2 THR 32 HG21 THR 32 91.530 -7.094 0.340 246 H PHE 33 HN PHE 33 91.498 -3.770 -0.721 247 HA PHE 33 HA PHE 33 90.149 -3.827 1.929 248 1HB PHE 33 2HB PHE 33 89.957 -1.571 2.104 249 2HB PHE 33 3HB PHE 33 91.419 -1.591 1.114 250 HD1 PHE 33 HD1 PHE 33 91.151 -1.450 -1.422 251 HD2 PHE 33 HD2 PHE 33 87.970 -0.646 1.324 252 HE1 PHE 33 HE1 PHE 33 89.908 -0.243 -3.195 253 HE2 PHE 33 HE2 PHE 33 86.741 0.555 -0.464 254 HZ PHE 33 HZ PHE 33 87.705 0.739 -2.712 255 H LEU 34 HN LEU 34 87.825 -3.235 1.782 256 HA LEU 34 HA LEU 34 86.657 -3.900 -0.893 257 1HB LEU 34 2HB LEU 34 85.166 -4.813 1.496 258 2HB LEU 34 3HB LEU 34 85.398 -5.611 -0.057 259 HG LEU 34 HG LEU 34 87.924 -5.755 0.889 260 1HD1 LEU 34 HD13 LEU 34 86.076 -5.734 3.286 261 2HD1 LEU 34 HD12 LEU 34 87.680 -6.468 3.314 262 3HD1 LEU 34 HD11 LEU 34 87.508 -4.737 3.029 263 1HD2 LEU 34 HD21 LEU 34 86.376 -7.575 0.098 264 2HD2 LEU 34 HD23 LEU 34 87.432 -8.052 1.420 265 3HD2 LEU 34 HD22 LEU 34 85.741 -7.667 1.729 266 H VAL 35 HN VAL 35 84.310 -3.278 -1.004 267 HA VAL 35 HA VAL 35 83.748 -0.884 0.692 268 HB VAL 35 HB VAL 35 83.084 -1.395 -2.229 269 1HG1 VAL 35 HG13 VAL 35 81.742 0.301 -0.210 270 2HG1 VAL 35 HG12 VAL 35 82.196 1.139 -1.691 271 3HG1 VAL 35 HG11 VAL 35 81.146 -0.275 -1.766 272 1HG2 VAL 35 HG21 VAL 35 84.631 0.729 -0.744 273 2HG2 VAL 35 HG23 VAL 35 85.285 -0.456 -1.870 274 3HG2 VAL 35 HG22 VAL 35 84.227 0.830 -2.452 275 H ARG 36 HN ARG 36 82.057 -1.205 2.018 276 HA ARG 36 HA ARG 36 79.809 -2.926 1.114 277 1HB ARG 36 2HB ARG 36 79.753 -4.126 3.250 278 2HB ARG 36 3HB ARG 36 81.317 -4.377 2.477 279 1HG ARG 36 2HG ARG 36 82.390 -2.801 3.931 280 2HG ARG 36 3HG ARG 36 80.845 -2.212 4.545 281 1HD ARG 36 2HD ARG 36 81.721 -5.086 4.873 282 2HD ARG 36 3HD ARG 36 82.108 -3.845 6.058 283 HE ARG 36 HE ARG 36 79.364 -3.601 5.738 284 1HH1 ARG 36 HH21 ARG 36 81.570 -6.166 6.356 285 2HH1 ARG 36 HH22 ARG 36 80.476 -7.056 7.364 286 1HH2 ARG 36 HH11 ARG 36 77.916 -4.738 7.080 287 2HH2 ARG 36 HH12 ARG 36 78.415 -6.237 7.787 288 H GLU 37 HN GLU 37 78.133 -2.788 3.193 289 HA GLU 37 HA GLU 37 77.874 0.140 3.620 290 1HB GLU 37 2HB GLU 37 75.948 -0.980 2.579 291 2HB GLU 37 3HB GLU 37 75.886 -2.139 3.902 292 1HG GLU 37 2HG GLU 37 75.403 -0.320 5.488 293 2HG GLU 37 3HG GLU 37 75.479 0.850 4.170 294 H SER 38 HN SER 38 77.103 0.737 5.879 295 HA SER 38 HA SER 38 78.737 -0.680 7.863 296 1HB SER 38 2HB SER 38 78.421 1.742 8.130 297 2HB SER 38 3HB SER 38 76.673 1.534 8.141 298 HG SER 38 HG SER 38 76.774 0.954 10.160 299 H SER 39 HN SER 39 76.392 -1.695 6.253 300 HA SER 39 HA SER 39 74.831 -3.363 6.486 301 1HB SER 39 2HB SER 39 76.350 -4.169 8.377 302 2HB SER 39 3HB SER 39 75.336 -3.244 9.482 303 HG SER 39 HG SER 39 73.644 -4.550 8.068 304 H LYS 40 HN LYS 40 74.600 -1.394 9.466 305 HA LYS 40 HA LYS 40 71.739 -0.870 8.835 306 1HB LYS 40 2HB LYS 40 73.340 -0.459 11.379 307 2HB LYS 40 3HB LYS 40 71.626 -0.083 11.201 308 1HG LYS 40 2HG LYS 40 71.351 -2.536 10.439 309 2HG LYS 40 3HG LYS 40 72.965 -2.791 11.108 310 1HD LYS 40 2HD LYS 40 72.237 -2.036 13.302 311 2HD LYS 40 3HD LYS 40 70.648 -1.603 12.667 312 1HE LYS 40 2HE LYS 40 70.211 -3.962 12.112 313 2HE LYS 40 3HE LYS 40 71.809 -4.408 12.716 314 1HZ LYS 40 HZ1 LYS 40 70.453 -2.872 14.651 315 2HZ LYS 40 HZ3 LYS 40 69.456 -4.158 14.171 316 3HZ LYS 40 HZ2 LYS 40 71.018 -4.470 14.766 317 H GLN 41 HN GLN 41 70.986 1.408 9.378 318 HA GLN 41 HA GLN 41 71.139 3.736 9.117 319 1HB GLN 41 2HB GLN 41 74.143 3.376 9.286 320 2HB GLN 41 3HB GLN 41 73.219 4.836 9.616 321 1HG GLN 41 2HG GLN 41 72.380 2.491 11.198 322 2HG GLN 41 3HG GLN 41 74.015 3.055 11.538 323 1HE2 GLN 41 HE22 GLN 41 70.900 5.659 12.239 324 2HE2 GLN 41 HE21 GLN 41 70.720 4.473 11.037 325 H GLY 42 HN GLY 42 71.799 1.562 6.920 326 1HA GLY 42 2HA GLY 42 72.496 1.560 4.658 327 2HA GLY 42 3HA GLY 42 71.547 3.046 4.630 328 H CYS 43 HN CYS 43 74.455 2.798 6.581 329 HA CYS 43 HA CYS 43 75.629 5.009 5.026 330 1HB CYS 43 2HB CYS 43 75.698 4.915 7.560 331 2HB CYS 43 3HB CYS 43 76.835 3.577 7.406 332 HG CYS 43 HG CYS 43 77.431 6.470 6.375 333 H TYR 44 HN TYR 44 77.316 4.812 3.625 334 HA TYR 44 HA TYR 44 78.136 2.118 2.822 335 1HB TYR 44 2HB TYR 44 78.947 4.881 1.873 336 2HB TYR 44 3HB TYR 44 79.552 3.390 1.155 337 HD1 TYR 44 HD2 TYR 44 76.590 5.535 1.653 338 HD2 TYR 44 HD1 TYR 44 78.089 1.947 -0.179 339 HE1 TYR 44 HE2 TYR 44 74.537 5.379 0.271 340 HE2 TYR 44 HE1 TYR 44 76.035 1.794 -1.560 341 HH TYR 44 HH TYR 44 73.268 3.316 -0.904 342 H ALA 45 HN ALA 45 80.372 1.350 2.957 343 HA ALA 45 HA ALA 45 82.236 2.979 4.550 344 1HB ALA 45 HB3 ALA 45 81.085 0.367 5.568 345 2HB ALA 45 HB2 ALA 45 82.498 1.159 6.263 346 3HB ALA 45 HB1 ALA 45 80.924 1.955 6.318 347 H CYS 46 HN CYS 46 84.371 2.393 4.170 348 HA CYS 46 HA CYS 46 84.745 0.088 2.318 349 1HB CYS 46 2HB CYS 46 86.564 2.465 2.808 350 2HB CYS 46 3HB CYS 46 86.852 1.172 1.641 351 HG CYS 46 HG CYS 46 84.674 1.956 0.365 352 H SER 47 HN SER 47 85.541 -1.683 3.277 353 HA SER 47 HA SER 47 86.908 -1.442 5.889 354 1HB SER 47 2HB SER 47 85.958 -3.819 4.279 355 2HB SER 47 3HB SER 47 86.745 -3.943 5.846 356 HG SER 47 HG SER 47 84.438 -2.369 5.359 357 H VAL 48 HN VAL 48 89.128 -1.518 6.033 358 HA VAL 48 HA VAL 48 90.607 -2.813 3.792 359 HB VAL 48 HB VAL 48 91.662 -0.899 3.204 360 1HG1 VAL 48 HG11 VAL 48 89.709 0.329 5.176 361 2HG1 VAL 48 HG13 VAL 48 90.570 1.217 3.919 362 3HG1 VAL 48 HG12 VAL 48 89.386 -0.014 3.479 363 1HG2 VAL 48 HG23 VAL 48 92.015 -0.446 6.186 364 2HG2 VAL 48 HG22 VAL 48 93.231 -0.975 5.021 365 3HG2 VAL 48 HG21 VAL 48 92.616 0.675 4.964 366 H VAL 49 HN VAL 49 92.553 -3.843 4.398 367 HA VAL 49 HA VAL 49 92.853 -4.324 7.311 368 HB VAL 49 HB VAL 49 94.232 -5.600 4.931 369 1HG1 VAL 49 HG11 VAL 49 94.387 -6.080 7.903 370 2HG1 VAL 49 HG13 VAL 49 94.759 -7.363 6.755 371 3HG1 VAL 49 HG12 VAL 49 95.711 -5.879 6.758 372 1HG2 VAL 49 HG23 VAL 49 91.936 -6.463 6.695 373 2HG2 VAL 49 HG22 VAL 49 91.897 -6.190 4.955 374 3HG2 VAL 49 HG21 VAL 49 92.788 -7.561 5.616 375 H VAL 50 HN VAL 50 94.775 -3.765 8.443 376 HA VAL 50 HA VAL 50 96.707 -2.157 6.836 377 HB VAL 50 HB VAL 50 95.052 -1.055 8.668 378 1HG1 VAL 50 HG11 VAL 50 96.008 -2.453 10.479 379 2HG1 VAL 50 HG13 VAL 50 97.574 -1.703 10.207 380 3HG1 VAL 50 HG12 VAL 50 96.218 -0.736 10.776 381 1HG2 VAL 50 HG23 VAL 50 97.771 -0.417 7.672 382 2HG2 VAL 50 HG22 VAL 50 96.288 0.522 7.536 383 3HG2 VAL 50 HG21 VAL 50 97.209 0.535 9.039 384 H ASP 51 HN ASP 51 98.902 -2.122 7.728 385 HA ASP 51 HA ASP 51 99.815 -4.747 8.381 386 1HB ASP 51 2HB ASP 51 101.184 -3.048 7.185 387 2HB ASP 51 3HB ASP 51 101.299 -2.117 8.683 388 H GLY 52 HN GLY 52 98.043 -4.523 10.340 389 1HA GLY 52 2HA GLY 52 99.443 -5.027 12.702 390 2HA GLY 52 3HA GLY 52 99.081 -3.304 12.755 391 H GLU 53 HN GLU 53 96.468 -3.606 11.368 392 HA GLU 53 HA GLU 53 94.887 -5.416 13.054 393 1HB GLU 53 2HB GLU 53 94.661 -2.415 13.425 394 2HB GLU 53 3HB GLU 53 93.527 -3.594 14.080 395 1HG GLU 53 2HG GLU 53 95.490 -4.685 15.257 396 2HG GLU 53 3HG GLU 53 96.461 -3.295 14.768 397 H VAL 54 HN VAL 54 92.512 -5.188 12.566 398 HA VAL 54 HA VAL 54 92.143 -4.456 9.702 399 HB VAL 54 HB VAL 54 90.664 -6.230 11.639 400 1HG1 VAL 54 HG11 VAL 54 89.646 -5.076 9.025 401 2HG1 VAL 54 HG13 VAL 54 88.959 -6.512 9.784 402 3HG1 VAL 54 HG12 VAL 54 88.888 -4.959 10.614 403 1HG2 VAL 54 HG22 VAL 54 91.845 -6.548 8.870 404 2HG2 VAL 54 HG21 VAL 54 92.446 -7.260 10.365 405 3HG2 VAL 54 HG23 VAL 54 90.912 -7.803 9.682 406 H LYS 55 HN LYS 55 91.067 -2.575 9.208 407 HA LYS 55 HA LYS 55 89.384 -1.401 11.393 408 1HB LYS 55 2HB LYS 55 90.820 0.183 9.258 409 2HB LYS 55 3HB LYS 55 90.087 0.782 10.747 410 1HG LYS 55 2HG LYS 55 92.171 0.609 11.631 411 2HG LYS 55 3HG LYS 55 91.830 -1.120 11.699 412 1HD LYS 55 2HD LYS 55 93.781 -1.195 10.468 413 2HD LYS 55 3HD LYS 55 92.626 -1.005 9.150 414 1HE LYS 55 2HE LYS 55 93.092 1.606 9.966 415 2HE LYS 55 3HE LYS 55 94.679 0.849 10.107 416 1HZ LYS 55 HZ2 LYS 55 93.014 0.467 7.701 417 2HZ LYS 55 HZ1 LYS 55 94.006 1.838 7.866 418 3HZ LYS 55 HZ3 LYS 55 94.692 0.287 7.868 419 H HIS 56 HN HIS 56 87.411 -0.475 10.818 420 HA HIS 56 HA HIS 56 86.490 -1.075 8.038 421 1HB HIS 56 2HB HIS 56 84.882 -0.831 10.604 422 2HB HIS 56 3HB HIS 56 84.212 -1.171 9.011 423 HD1 HIS 56 HD1 HIS 56 85.309 -2.896 11.955 424 HD2 HIS 56 HD2 HIS 56 85.594 -3.657 7.863 425 HE1 HIS 56 HE1 HIS 56 85.792 -5.375 11.714 426 H CYS 57 HN CYS 57 87.222 0.987 7.231 427 HA CYS 57 HA CYS 57 86.506 3.490 8.452 428 1HB CYS 57 2HB CYS 57 87.327 2.724 5.643 429 2HB CYS 57 3HB CYS 57 86.984 4.392 6.099 430 HG CYS 57 HG CYS 57 89.603 3.598 6.414 431 H VAL 58 HN VAL 58 84.695 4.759 8.164 432 HA VAL 58 HA VAL 58 82.457 3.482 6.670 433 HB VAL 58 HB VAL 58 82.290 3.991 9.178 434 1HG1 VAL 58 HG11 VAL 58 83.358 6.303 8.829 435 2HG1 VAL 58 HG13 VAL 58 81.786 6.806 8.208 436 3HG1 VAL 58 HG12 VAL 58 81.933 6.236 9.869 437 1HG2 VAL 58 HG22 VAL 58 80.285 5.141 7.213 438 2HG2 VAL 58 HG21 VAL 58 80.294 3.510 7.883 439 3HG2 VAL 58 HG23 VAL 58 79.950 4.889 8.927 440 H ILE 59 HN ILE 59 81.532 4.535 4.965 441 HA ILE 59 HA ILE 59 82.392 7.344 4.467 442 HB ILE 59 HB ILE 59 81.890 5.165 2.412 443 1HG1 ILE 59 HG12 ILE 59 84.408 6.570 3.356 444 2HG1 ILE 59 HG11 ILE 59 84.022 4.857 3.538 445 1HG2 ILE 59 HG23 ILE 59 81.448 7.829 2.034 446 2HG2 ILE 59 HG22 ILE 59 83.169 7.737 1.658 447 3HG2 ILE 59 HG21 ILE 59 82.017 6.748 0.763 448 1HD1 ILE 59 HD12 ILE 59 83.839 4.785 0.987 449 2HD1 ILE 59 HD11 ILE 59 84.601 6.372 0.996 450 3HD1 ILE 59 HD13 ILE 59 85.464 4.981 1.648 451 H ASN 60 HN ASN 60 80.758 8.767 3.714 452 HA ASN 60 HA ASN 60 77.991 7.610 3.869 453 1HB ASN 60 2HB ASN 60 78.572 9.275 5.654 454 2HB ASN 60 3HB ASN 60 78.868 10.471 4.388 455 1HD2 ASN 60 HD22 ASN 60 74.994 9.135 4.780 456 2HD2 ASN 60 HD21 ASN 60 76.270 8.046 5.013 457 H LYS 61 HN LYS 61 77.014 7.541 1.861 458 HA LYS 61 HA LYS 61 78.141 9.182 -0.306 459 1HB LYS 61 2HB LYS 61 77.430 6.851 -0.754 460 2HB LYS 61 3HB LYS 61 75.772 7.292 -0.342 461 1HG LYS 61 2HG LYS 61 75.913 9.073 -2.149 462 2HG LYS 61 3HG LYS 61 77.435 8.335 -2.649 463 1HD LYS 61 2HD LYS 61 76.245 6.156 -2.926 464 2HD LYS 61 3HD LYS 61 74.730 6.975 -2.541 465 1HE LYS 61 2HE LYS 61 76.564 7.663 -4.855 466 2HE LYS 61 3HE LYS 61 75.028 6.803 -4.981 467 1HZ LYS 61 HZ3 LYS 61 73.998 8.789 -3.896 468 2HZ LYS 61 HZ2 LYS 61 75.472 9.602 -4.109 469 3HZ LYS 61 HZ1 LYS 61 74.593 9.059 -5.458 470 H THR 62 HN THR 62 77.505 11.244 -0.503 471 HA THR 62 HA THR 62 74.620 11.888 -0.391 472 HB THR 62 HB THR 62 76.677 13.413 1.222 473 HG1 THR 62 HG1 THR 62 75.657 12.526 2.992 474 1HG2 THR 62 HG21 THR 62 73.804 13.828 0.529 475 2HG2 THR 62 HG23 THR 62 74.341 14.288 2.146 476 3HG2 THR 62 HG22 THR 62 75.095 15.014 0.726 477 H ALA 63 HN ALA 63 74.251 14.122 -1.267 478 HA ALA 63 HA ALA 63 75.618 14.551 -3.709 479 1HB ALA 63 HB1 ALA 63 73.969 16.399 -1.964 480 2HB ALA 63 HB3 ALA 63 74.560 16.868 -3.559 481 3HB ALA 63 HB2 ALA 63 73.437 15.518 -3.396 482 H THR 64 HN THR 64 75.959 16.314 -0.594 483 HA THR 64 HA THR 64 78.603 17.274 -1.559 484 HB THR 64 HB THR 64 78.214 19.107 0.089 485 HG1 THR 64 HG1 THR 64 76.138 19.306 0.924 486 1HG2 THR 64 HG22 THR 64 76.437 18.607 -2.259 487 2HG2 THR 64 HG21 THR 64 76.179 20.051 -1.279 488 3HG2 THR 64 HG23 THR 64 77.732 19.791 -2.073 489 H GLY 65 HN GLY 65 77.739 14.756 0.166 490 1HA GLY 65 2HA GLY 65 79.407 15.432 2.551 491 2HA GLY 65 3HA GLY 65 78.243 14.116 2.503 492 H TYR 66 HN TYR 66 78.815 12.245 1.071 493 HA TYR 66 HA TYR 66 80.324 10.615 0.305 494 1HB TYR 66 2HB TYR 66 82.300 12.918 0.142 495 2HB TYR 66 3HB TYR 66 82.545 11.306 -0.514 496 HD1 TYR 66 HD1 TYR 66 80.942 10.434 -2.272 497 HD2 TYR 66 HD2 TYR 66 81.070 14.553 -1.068 498 HE1 TYR 66 HE1 TYR 66 79.745 11.075 -4.347 499 HE2 TYR 66 HE2 TYR 66 79.873 15.196 -3.141 500 HH TYR 66 HH TYR 66 78.457 12.806 -5.245 501 H GLY 67 HN GLY 67 83.046 10.281 0.915 502 1HA GLY 67 2HA GLY 67 82.988 9.184 3.495 503 2HA GLY 67 3HA GLY 67 84.469 9.593 2.639 504 H PHE 68 HN PHE 68 85.719 11.087 3.622 505 HA PHE 68 HA PHE 68 85.028 12.363 6.062 506 1HB PHE 68 2HB PHE 68 87.106 13.224 4.030 507 2HB PHE 68 3HB PHE 68 87.085 13.664 5.735 508 HD1 PHE 68 HD1 PHE 68 86.537 11.267 7.208 509 HD2 PHE 68 HD2 PHE 68 88.809 11.696 3.581 510 HE1 PHE 68 HE1 PHE 68 87.799 9.199 7.745 511 HE2 PHE 68 HE2 PHE 68 90.063 9.631 4.122 512 HZ PHE 68 HZ PHE 68 89.563 8.380 6.203 513 H ALA 69 HN ALA 69 85.106 13.652 2.739 514 HA ALA 69 HA ALA 69 83.932 15.451 1.794 515 1HB ALA 69 HB2 ALA 69 82.174 14.419 3.580 516 2HB ALA 69 HB1 ALA 69 82.401 16.018 4.281 517 3HB ALA 69 HB3 ALA 69 81.830 15.856 2.622 518 H GLU 70 HN GLU 70 86.141 15.652 4.163 519 HA GLU 70 HA GLU 70 85.809 18.604 4.458 520 1HB GLU 70 2HB GLU 70 87.386 16.641 6.148 521 2HB GLU 70 3HB GLU 70 87.414 18.391 6.371 522 1HG GLU 70 2HG GLU 70 85.029 18.429 6.831 523 2HG GLU 70 3HG GLU 70 84.887 16.712 6.453 524 HA PRO 71 HA PRO 71 90.215 18.023 2.768 525 1HB PRO 71 2HB PRO 71 91.049 15.592 1.961 526 2HB PRO 71 3HB PRO 71 91.026 16.047 3.677 527 1HG PRO 71 2HG PRO 71 89.251 14.237 2.191 528 2HG PRO 71 3HG PRO 71 89.671 14.250 3.902 529 1HD PRO 71 2HD PRO 71 87.290 15.315 2.689 530 2HD PRO 71 3HD PRO 71 87.756 15.385 4.403 531 H TYR 72 HN TYR 72 87.867 18.484 1.208 532 HA TYR 72 HA TYR 72 87.213 18.755 -1.021 533 1HB TYR 72 2HB TYR 72 90.134 18.099 -1.483 534 2HB TYR 72 3HB TYR 72 89.043 18.712 -2.723 535 HD1 TYR 72 HD2 TYR 72 87.978 20.977 -2.437 536 HD2 TYR 72 HD1 TYR 72 91.078 19.546 0.169 537 HE1 TYR 72 HE2 TYR 72 88.365 23.290 -1.628 538 HE2 TYR 72 HE1 TYR 72 91.466 21.856 0.977 539 HH TYR 72 HH TYR 72 89.392 24.264 0.711 540 H ASN 73 HN ASN 73 86.450 16.351 0.012 541 HA ASN 73 HA ASN 73 87.271 14.290 -1.968 542 1HB ASN 73 2HB ASN 73 85.700 14.122 0.614 543 2HB ASN 73 3HB ASN 73 85.947 12.751 -0.471 544 1HD2 ASN 73 HD22 ASN 73 89.668 13.891 0.367 545 2HD2 ASN 73 HD21 ASN 73 88.678 14.635 -0.795 546 H LEU 74 HN LEU 74 85.168 16.677 -2.144 547 HA LEU 74 HA LEU 74 82.643 15.372 -2.629 548 1HB LEU 74 2HB LEU 74 83.721 17.989 -3.728 549 2HB LEU 74 3HB LEU 74 82.034 17.477 -3.784 550 HG LEU 74 HG LEU 74 83.628 17.820 -1.228 551 1HD1 LEU 74 HD12 LEU 74 82.096 19.705 -2.910 552 2HD1 LEU 74 HD11 LEU 74 81.670 19.725 -1.199 553 3HD1 LEU 74 HD13 LEU 74 83.335 20.032 -1.695 554 1HD2 LEU 74 HD22 LEU 74 81.047 16.652 -1.892 555 2HD2 LEU 74 HD21 LEU 74 81.912 16.643 -0.354 556 3HD2 LEU 74 HD23 LEU 74 80.867 18.000 -0.769 557 H TYR 75 HN TYR 75 83.965 13.580 -3.854 558 HA TYR 75 HA TYR 75 84.728 14.181 -6.591 559 1HB TYR 75 2HB TYR 75 84.315 11.586 -5.090 560 2HB TYR 75 3HB TYR 75 84.786 11.650 -6.786 561 HD1 TYR 75 HD1 TYR 75 86.774 13.278 -7.340 562 HD2 TYR 75 HD2 TYR 75 86.023 11.588 -3.464 563 HE1 TYR 75 HE1 TYR 75 89.140 13.676 -6.713 564 HE2 TYR 75 HE2 TYR 75 88.393 11.989 -2.833 565 HH TYR 75 HH TYR 75 90.319 13.988 -4.092 566 H SER 76 HN SER 76 83.599 13.676 -8.483 567 HA SER 76 HA SER 76 80.780 14.016 -8.435 568 1HB SER 76 2HB SER 76 82.275 14.452 -10.407 569 2HB SER 76 3HB SER 76 82.386 12.709 -10.639 570 HG SER 76 HG SER 76 79.848 13.819 -10.347 571 H SER 77 HN SER 77 82.742 11.052 -8.605 572 HA SER 77 HA SER 77 80.222 9.545 -8.032 573 1HB SER 77 2HB SER 77 80.768 7.875 -9.639 574 2HB SER 77 3HB SER 77 81.015 9.408 -10.465 575 HG SER 77 HG SER 77 83.092 8.098 -9.065 576 H LEU 78 HN LEU 78 80.588 7.511 -6.929 577 HA LEU 78 HA LEU 78 82.572 7.664 -4.868 578 1HB LEU 78 2HB LEU 78 80.895 5.322 -5.818 579 2HB LEU 78 3HB LEU 78 81.846 5.342 -4.326 580 HG LEU 78 HG LEU 78 79.655 7.319 -5.003 581 1HD1 LEU 78 HD12 LEU 78 79.467 4.641 -4.090 582 2HD1 LEU 78 HD11 LEU 78 79.151 5.676 -2.695 583 3HD1 LEU 78 HD13 LEU 78 78.181 5.846 -4.157 584 1HD2 LEU 78 HD22 LEU 78 81.730 7.133 -2.926 585 2HD2 LEU 78 HD21 LEU 78 80.772 8.524 -3.435 586 3HD2 LEU 78 HD23 LEU 78 80.103 7.363 -2.286 587 H LYS 79 HN LYS 79 82.563 6.212 -8.048 588 HA LYS 79 HA LYS 79 84.679 4.355 -7.683 589 1HB LYS 79 2HB LYS 79 83.890 6.024 -10.089 590 2HB LYS 79 3HB LYS 79 85.076 4.717 -10.147 591 1HG LYS 79 2HG LYS 79 83.371 3.129 -9.321 592 2HG LYS 79 3HG LYS 79 82.181 4.436 -9.284 593 1HD LYS 79 2HD LYS 79 82.477 4.770 -11.712 594 2HD LYS 79 3HD LYS 79 83.648 3.454 -11.750 595 1HE LYS 79 2HE LYS 79 81.475 2.604 -12.452 596 2HE LYS 79 3HE LYS 79 81.883 1.916 -10.881 597 1HZ LYS 79 HZ2 LYS 79 80.588 4.297 -10.359 598 2HZ LYS 79 HZ1 LYS 79 79.684 3.550 -11.590 599 3HZ LYS 79 HZ3 LYS 79 79.978 2.726 -10.137 600 H GLU 80 HN GLU 80 84.748 7.811 -8.551 601 HA GLU 80 HA GLU 80 87.588 8.027 -8.789 602 1HB GLU 80 2HB GLU 80 85.461 10.040 -8.046 603 2HB GLU 80 3HB GLU 80 87.149 10.477 -8.295 604 1HG GLU 80 2HG GLU 80 87.078 9.653 -10.571 605 2HG GLU 80 3HG GLU 80 85.444 9.039 -10.334 606 H LEU 81 HN LEU 81 85.398 8.286 -6.015 607 HA LEU 81 HA LEU 81 87.262 9.261 -4.117 608 1HB LEU 81 2HB LEU 81 84.802 8.997 -3.740 609 2HB LEU 81 3HB LEU 81 85.042 7.253 -3.610 610 HG LEU 81 HG LEU 81 86.614 9.188 -1.904 611 1HD1 LEU 81 HD12 LEU 81 83.883 9.102 -1.775 612 2HD1 LEU 81 HD11 LEU 81 84.317 7.815 -0.648 613 3HD1 LEU 81 HD13 LEU 81 84.928 9.451 -0.399 614 1HD2 LEU 81 HD23 LEU 81 86.404 6.301 -2.198 615 2HD2 LEU 81 HD22 LEU 81 87.580 7.246 -1.290 616 3HD2 LEU 81 HD21 LEU 81 86.050 6.797 -0.546 617 H VAL 82 HN VAL 82 86.579 5.928 -5.180 618 HA VAL 82 HA VAL 82 88.375 4.672 -3.346 619 HB VAL 82 HB VAL 82 87.474 3.805 -6.105 620 1HG1 VAL 82 HG12 VAL 82 89.200 2.547 -4.019 621 2HG1 VAL 82 HG11 VAL 82 88.043 1.511 -4.857 622 3HG1 VAL 82 HG13 VAL 82 89.266 2.389 -5.777 623 1HG2 VAL 82 HG23 VAL 82 86.470 3.350 -3.290 624 2HG2 VAL 82 HG22 VAL 82 85.574 3.971 -4.677 625 3HG2 VAL 82 HG21 VAL 82 86.037 2.271 -4.616 626 H LEU 83 HN LEU 83 88.870 5.858 -6.703 627 HA LEU 83 HA LEU 83 91.615 5.068 -6.902 628 1HB LEU 83 2HB LEU 83 90.022 7.256 -8.257 629 2HB LEU 83 3HB LEU 83 91.726 6.972 -8.622 630 HG LEU 83 HG LEU 83 90.964 4.483 -8.930 631 1HD1 LEU 83 HD12 LEU 83 88.387 6.041 -9.167 632 2HD1 LEU 83 HD11 LEU 83 88.613 4.454 -9.892 633 3HD1 LEU 83 HD13 LEU 83 88.710 4.642 -8.142 634 1HD2 LEU 83 HD23 LEU 83 90.257 6.675 -10.906 635 2HD2 LEU 83 HD22 LEU 83 91.834 5.903 -10.733 636 3HD2 LEU 83 HD21 LEU 83 90.457 4.971 -11.317 637 H HIS 84 HN HIS 84 90.062 7.982 -5.634 638 HA HIS 84 HA HIS 84 92.384 9.577 -5.280 639 1HB HIS 84 2HB HIS 84 90.079 10.422 -5.010 640 2HB HIS 84 3HB HIS 84 89.915 9.474 -3.536 641 HD1 HIS 84 HD1 HIS 84 89.891 11.253 -1.769 642 HD2 HIS 84 HD2 HIS 84 93.052 11.753 -4.439 643 HE1 HIS 84 HE1 HIS 84 91.333 13.106 -0.828 644 H TYR 85 HN TYR 85 90.901 7.255 -2.946 645 HA TYR 85 HA TYR 85 92.899 7.762 -0.926 646 1HB TYR 85 2HB TYR 85 90.999 5.456 -1.378 647 2HB TYR 85 3HB TYR 85 92.160 5.464 -0.057 648 HD1 TYR 85 HD2 TYR 85 90.003 8.149 -1.560 649 HD2 TYR 85 HD1 TYR 85 91.093 5.928 1.952 650 HE1 TYR 85 HE2 TYR 85 88.483 9.552 -0.199 651 HE2 TYR 85 HE1 TYR 85 89.570 7.332 3.314 652 HH TYR 85 HH TYR 85 87.859 8.823 3.196 653 H GLN 86 HN GLN 86 92.794 5.684 -3.730 654 HA GLN 86 HA GLN 86 94.866 3.869 -3.042 655 1HB GLN 86 2HB GLN 86 93.415 3.649 -5.044 656 2HB GLN 86 3HB GLN 86 94.212 5.048 -5.766 657 1HG GLN 86 2HG GLN 86 96.053 2.945 -4.816 658 2HG GLN 86 3HG GLN 86 94.999 2.460 -6.146 659 1HE2 GLN 86 HE22 GLN 86 97.035 4.091 -8.474 660 2HE2 GLN 86 HE21 GLN 86 96.054 2.761 -8.082 661 H HIS 87 HN HIS 87 94.997 7.169 -4.363 662 HA HIS 87 HA HIS 87 97.946 7.066 -4.505 663 1HB HIS 87 2HB HIS 87 96.569 8.358 -6.171 664 2HB HIS 87 3HB HIS 87 96.115 9.454 -4.865 665 HD1 HIS 87 HD1 HIS 87 99.372 8.058 -6.329 666 HD2 HIS 87 HD2 HIS 87 97.862 11.554 -4.627 667 HE1 HIS 87 HE1 HIS 87 101.234 9.774 -6.440 668 H THR 88 HN THR 88 95.413 8.461 -2.464 669 HA THR 88 HA THR 88 97.415 9.755 -0.718 670 HB THR 88 HB THR 88 95.204 10.250 0.588 671 HG1 THR 88 HG1 THR 88 94.340 9.216 -1.878 672 1HG2 THR 88 HG22 THR 88 95.790 11.385 -2.154 673 2HG2 THR 88 HG21 THR 88 94.712 12.132 -0.977 674 3HG2 THR 88 HG23 THR 88 96.431 11.971 -0.618 675 H SER 89 HN SER 89 97.976 9.017 1.258 676 HA SER 89 HA SER 89 97.204 6.251 1.938 677 1HB SER 89 2HB SER 89 99.363 8.133 2.863 678 2HB SER 89 3HB SER 89 99.073 6.577 3.643 679 HG SER 89 HG SER 89 99.391 5.604 1.598 680 H LEU 90 HN LEU 90 96.104 5.707 3.795 681 HA LEU 90 HA LEU 90 94.347 7.621 4.942 682 1HB LEU 90 2HB LEU 90 95.222 4.887 5.885 683 2HB LEU 90 3HB LEU 90 93.954 5.825 6.677 684 HG LEU 90 HG LEU 90 93.708 5.550 3.732 685 1HD1 LEU 90 HD12 LEU 90 93.486 3.231 5.663 686 2HD1 LEU 90 HD11 LEU 90 92.550 3.277 4.168 687 3HD1 LEU 90 HD13 LEU 90 94.313 3.284 4.106 688 1HD2 LEU 90 HD22 LEU 90 91.795 5.274 6.078 689 2HD2 LEU 90 HD21 LEU 90 92.039 6.728 5.108 690 3HD2 LEU 90 HD23 LEU 90 91.328 5.290 4.378 691 H VAL 91 HN VAL 91 97.461 6.358 6.192 692 HA VAL 91 HA VAL 91 98.369 6.869 8.426 693 HB VAL 91 HB VAL 91 98.594 9.294 6.606 694 1HG1 VAL 91 HG12 VAL 91 99.109 9.706 9.073 695 2HG1 VAL 91 HG11 VAL 91 100.405 8.525 8.901 696 3HG1 VAL 91 HG13 VAL 91 100.440 10.015 7.958 697 1HG2 VAL 91 HG23 VAL 91 100.367 6.896 7.114 698 2HG2 VAL 91 HG22 VAL 91 99.479 7.245 5.634 699 3HG2 VAL 91 HG21 VAL 91 100.820 8.280 6.122 700 H GLN 92 HN GLN 92 97.183 10.103 7.568 701 HA GLN 92 HA GLN 92 95.618 11.485 8.652 702 1HB GLN 92 2HB GLN 92 94.606 8.929 9.078 703 2HB GLN 92 3HB GLN 92 94.736 9.602 10.703 704 1HG GLN 92 2HG GLN 92 92.581 10.258 9.923 705 2HG GLN 92 3HG GLN 92 93.593 11.692 9.773 706 1HE2 GLN 92 HE22 GLN 92 91.894 11.462 6.518 707 2HE2 GLN 92 HE21 GLN 92 91.500 11.869 8.120 708 H HIS 93 HN HIS 93 95.053 12.015 11.175 709 HA HIS 93 HA HIS 93 97.486 12.924 12.336 710 1HB HIS 93 2HB HIS 93 94.704 12.564 13.468 711 2HB HIS 93 3HB HIS 93 96.024 13.276 14.401 712 HD1 HIS 93 HD1 HIS 93 97.195 15.432 13.257 713 HD2 HIS 93 HD2 HIS 93 93.478 14.351 11.704 714 HE1 HIS 93 HE1 HIS 93 96.381 17.409 11.905 715 H ASN 94 HN ASN 94 95.539 10.016 12.973 716 HA ASN 94 HA ASN 94 96.868 9.084 15.275 717 1HB ASN 94 2HB ASN 94 94.879 8.003 14.115 718 2HB ASN 94 3HB ASN 94 96.019 7.318 12.955 719 1HD2 ASN 94 HD22 ASN 94 97.239 6.076 16.581 720 2HD2 ASN 94 HD21 ASN 94 97.417 7.678 16.052 721 H ASP 95 HN ASP 95 97.913 9.362 11.997 722 HA ASP 95 HA ASP 95 99.978 9.036 10.975 723 1HB ASP 95 2HB ASP 95 100.836 9.000 13.878 724 2HB ASP 95 3HB ASP 95 101.970 8.948 12.530 725 H SER 96 HN SER 96 98.267 6.622 11.963 726 HA SER 96 HA SER 96 100.482 4.685 11.527 727 1HB SER 96 2HB SER 96 98.169 4.281 13.437 728 2HB SER 96 3HB SER 96 99.442 3.113 13.094 729 HG SER 96 HG SER 96 100.028 4.239 14.921 730 H LEU 97 HN LEU 97 97.894 5.908 10.095 731 HA LEU 97 HA LEU 97 96.848 3.290 9.138 732 1HB LEU 97 2HB LEU 97 95.906 6.122 8.552 733 2HB LEU 97 3HB LEU 97 95.085 4.633 8.074 734 HG LEU 97 HG LEU 97 95.672 5.432 10.940 735 1HD1 LEU 97 HD13 LEU 97 93.879 6.717 9.464 736 2HD1 LEU 97 HD12 LEU 97 92.912 5.277 9.783 737 3HD1 LEU 97 HD11 LEU 97 93.510 6.253 11.127 738 1HD2 LEU 97 HD21 LEU 97 94.742 2.989 9.611 739 2HD2 LEU 97 HD23 LEU 97 95.324 3.213 11.260 740 3HD2 LEU 97 HD22 LEU 97 93.637 3.541 10.870 741 H ASN 98 HN ASN 98 99.407 3.555 8.377 742 HA ASN 98 HA ASN 98 99.672 5.070 5.908 743 1HB ASN 98 2HB ASN 98 101.594 4.565 7.428 744 2HB ASN 98 3HB ASN 98 101.449 2.862 6.984 745 1HD2 ASN 98 HD22 ASN 98 102.558 5.469 3.992 746 2HD2 ASN 98 HD21 ASN 98 101.425 5.976 5.150 747 H VAL 99 HN VAL 99 97.755 4.128 4.847 748 HA VAL 99 HA VAL 99 98.556 1.851 3.172 749 HB VAL 99 HB VAL 99 96.140 1.729 4.989 750 1HG1 VAL 99 HG12 VAL 99 95.512 1.038 2.701 751 2HG1 VAL 99 HG11 VAL 99 96.873 -0.085 2.671 752 3HG1 VAL 99 HG13 VAL 99 95.541 -0.342 3.799 753 1HG2 VAL 99 HG23 VAL 99 98.547 -0.060 4.569 754 2HG2 VAL 99 HG22 VAL 99 98.193 0.906 6.000 755 3HG2 VAL 99 HG21 VAL 99 97.166 -0.463 5.582 756 H THR 100 HN THR 100 97.419 1.792 1.237 757 HA THR 100 HA THR 100 95.526 4.063 0.769 758 HB THR 100 HB THR 100 96.418 4.255 -1.484 759 HG1 THR 100 HG1 THR 100 97.047 2.336 -2.143 760 1HG2 THR 100 HG21 THR 100 98.055 4.579 0.883 761 2HG2 THR 100 HG23 THR 100 99.053 4.257 -0.534 762 3HG2 THR 100 HG22 THR 100 97.933 5.621 -0.538 763 H LEU 101 HN LEU 101 93.807 3.581 -0.770 764 HA LEU 101 HA LEU 101 93.039 0.741 -0.697 765 1HB LEU 101 2HB LEU 101 91.643 3.093 -2.017 766 2HB LEU 101 3HB LEU 101 90.950 1.504 -1.719 767 HG LEU 101 HG LEU 101 91.948 3.379 0.436 768 1HD1 LEU 101 HD11 LEU 101 89.593 3.530 -1.070 769 2HD1 LEU 101 HD13 LEU 101 89.108 2.764 0.443 770 3HD1 LEU 101 HD12 LEU 101 89.911 4.334 0.466 771 1HD2 LEU 101 HD23 LEU 101 91.300 0.566 0.444 772 2HD2 LEU 101 HD22 LEU 101 91.858 1.570 1.777 773 3HD2 LEU 101 HD21 LEU 101 90.134 1.438 1.433 774 H ALA 102 HN ALA 102 95.064 0.261 -1.990 775 HA ALA 102 HA ALA 102 94.679 0.801 -4.885 776 1HB ALA 102 HB1 ALA 102 96.908 1.109 -3.313 777 2HB ALA 102 HB3 ALA 102 97.193 -0.460 -4.066 778 3HB ALA 102 HB2 ALA 102 96.927 0.963 -5.072 779 H TYR 103 HN TYR 103 94.560 -1.810 -2.594 780 HA TYR 103 HA TYR 103 94.743 -3.715 -4.889 781 1HB TYR 103 2HB TYR 103 95.149 -4.125 -1.922 782 2HB TYR 103 3HB TYR 103 95.060 -5.454 -3.077 783 HD1 TYR 103 HD1 TYR 103 96.783 -5.668 -4.861 784 HD2 TYR 103 HD2 TYR 103 97.089 -2.711 -1.763 785 HE1 TYR 103 HE1 TYR 103 99.177 -5.349 -5.406 786 HE2 TYR 103 HE2 TYR 103 99.490 -2.389 -2.307 787 HH TYR 103 HH TYR 103 101.084 -2.798 -3.921 788 HA PRO 104 HA PRO 104 90.295 -4.144 -4.193 789 1HB PRO 104 2HB PRO 104 89.834 -5.862 -6.256 790 2HB PRO 104 3HB PRO 104 90.071 -4.123 -6.496 791 1HG PRO 104 2HG PRO 104 91.932 -6.370 -6.987 792 2HG PRO 104 3HG PRO 104 91.748 -4.838 -7.855 793 1HD PRO 104 2HD PRO 104 93.756 -5.374 -6.006 794 2HD PRO 104 3HD PRO 104 93.237 -3.750 -6.503 795 H VAL 105 HN VAL 105 89.052 -5.789 -3.121 796 HA VAL 105 HA VAL 105 90.558 -8.022 -2.042 797 HB VAL 105 HB VAL 105 88.683 -6.886 -0.829 798 1HG1 VAL 105 HG13 VAL 105 87.297 -7.593 -3.259 799 2HG1 VAL 105 HG12 VAL 105 86.489 -8.320 -1.878 800 3HG1 VAL 105 HG11 VAL 105 86.747 -6.582 -1.930 801 1HG2 VAL 105 HG23 VAL 105 88.969 -9.814 -1.250 802 2HG2 VAL 105 HG22 VAL 105 89.056 -8.884 0.241 803 3HG2 VAL 105 HG21 VAL 105 87.490 -9.310 -0.443 804 H TYR 106 HN TYR 106 88.598 -7.544 -4.855 805 HA TYR 106 HA TYR 106 88.842 -10.455 -5.461 806 1HB TYR 106 2HB TYR 106 86.484 -8.638 -6.019 807 2HB TYR 106 3HB TYR 106 86.680 -10.233 -6.734 808 HD1 TYR 106 HD1 TYR 106 87.105 -12.210 -5.054 809 HD2 TYR 106 HD2 TYR 106 85.394 -8.424 -3.952 810 HE1 TYR 106 HE1 TYR 106 86.113 -13.241 -3.031 811 HE2 TYR 106 HE2 TYR 106 84.404 -9.465 -1.931 812 HH TYR 106 HH TYR 106 84.514 -12.930 -1.401 813 H ALA 107 HN ALA 107 90.881 -9.237 -6.406 814 HA ALA 107 HA ALA 107 90.668 -7.601 -8.717 815 1HB ALA 107 HB3 ALA 107 92.746 -8.642 -7.289 816 2HB ALA 107 HB2 ALA 107 92.835 -9.621 -8.753 817 3HB ALA 107 HB1 ALA 107 92.934 -7.861 -8.859 818 H GLN 108 HN GLN 108 90.624 -11.130 -8.368 819 HA GLN 108 HA GLN 108 89.129 -11.357 -10.880 820 1HB GLN 108 2HB GLN 108 91.575 -11.338 -11.552 821 2HB GLN 108 3HB GLN 108 91.778 -12.811 -10.610 822 1HG GLN 108 2HG GLN 108 90.090 -13.948 -11.998 823 2HG GLN 108 3HG GLN 108 89.850 -12.470 -12.928 824 1HE2 GLN 108 HE22 GLN 108 93.498 -12.823 -13.982 825 2HE2 GLN 108 HE21 GLN 108 92.731 -11.732 -12.930 826 H GLN 109 HN GLN 109 88.057 -11.909 -8.540 827 HA GLN 109 HA GLN 109 87.032 -13.593 -7.269 828 1HB GLN 109 2HB GLN 109 87.922 -15.267 -9.633 829 2HB GLN 109 3HB GLN 109 86.808 -15.810 -8.378 830 1HG GLN 109 2HG GLN 109 85.291 -13.927 -8.940 831 2HG GLN 109 3HG GLN 109 86.386 -13.453 -10.240 832 1HE2 GLN 109 HE22 GLN 109 85.588 -16.346 -12.264 833 2HE2 GLN 109 HE21 GLN 109 86.880 -15.317 -11.870 834 H ARG 110 HN ARG 110 89.905 -13.007 -6.833 835 HA ARG 110 HA ARG 110 91.309 -15.491 -6.408 836 1HB ARG 110 2HB ARG 110 92.352 -13.186 -6.572 837 2HB ARG 110 3HB ARG 110 91.752 -12.878 -4.943 838 1HG ARG 110 2HG ARG 110 93.011 -14.781 -4.081 839 2HG ARG 110 3HG ARG 110 93.568 -15.178 -5.704 840 1HD ARG 110 2HD ARG 110 94.611 -12.902 -5.833 841 2HD ARG 110 3HD ARG 110 94.197 -12.651 -4.142 842 HE ARG 110 HE ARG 110 96.493 -14.025 -5.102 843 1HH1 ARG 110 HH21 ARG 110 93.922 -14.506 -2.836 844 2HH1 ARG 110 HH22 ARG 110 94.778 -15.715 -1.946 845 1HH2 ARG 110 HH11 ARG 110 97.614 -15.548 -3.927 846 2HH2 ARG 110 HH12 ARG 110 96.876 -16.290 -2.546 847 H ARG 111 HN ARG 111 91.475 -16.733 -4.494 848 HA ARG 111 HA ARG 111 89.184 -16.595 -2.710 849 1HB ARG 111 2HB ARG 111 91.715 -18.261 -2.574 850 2HB ARG 111 3HB ARG 111 90.316 -18.468 -1.517 851 1HG ARG 111 2HG ARG 111 88.892 -18.855 -3.518 852 2HG ARG 111 3HG ARG 111 90.332 -18.746 -4.533 853 1HD ARG 111 2HD ARG 111 91.039 -20.564 -2.538 854 2HD ARG 111 3HD ARG 111 89.367 -20.977 -2.917 855 HE ARG 111 HE ARG 111 91.532 -21.735 -4.504 856 1HH1 ARG 111 HH21 ARG 111 88.751 -19.734 -4.907 857 2HH1 ARG 111 HH22 ARG 111 88.623 -20.029 -6.607 858 1HH2 ARG 111 HH11 ARG 111 91.373 -22.142 -6.717 859 2HH2 ARG 111 HH12 ARG 111 90.105 -21.397 -7.629 No H/Q in entry = 859 Start of MODEL 28 1 1H GLU 1 HT3 GLU 1 96.071 0.819 -18.959 2 2H GLU 1 HT2 GLU 1 96.785 0.364 -17.486 3 3H GLU 1 HT1 GLU 1 97.591 0.070 -18.950 4 HA GLU 1 HA GLU 1 95.920 -1.517 -19.618 5 1HB GLU 1 2HB GLU 1 96.983 -1.946 -16.808 6 2HB GLU 1 3HB GLU 1 96.335 -3.219 -17.841 7 1HG GLU 1 2HG GLU 1 98.735 -1.475 -18.455 8 2HG GLU 1 3HG GLU 1 98.781 -3.177 -18.006 9 H ASP 2 HN ASP 2 94.396 -3.131 -18.022 10 HA ASP 2 HA ASP 2 92.063 -1.429 -17.514 11 1HB ASP 2 2HB ASP 2 91.861 -3.667 -18.605 12 2HB ASP 2 3HB ASP 2 92.406 -4.415 -17.101 13 H LEU 3 HN LEU 3 91.658 -0.538 -15.556 14 HA LEU 3 HA LEU 3 93.174 -1.499 -13.205 15 1HB LEU 3 2HB LEU 3 91.416 0.927 -13.630 16 2HB LEU 3 3HB LEU 3 92.262 0.566 -12.124 17 HG LEU 3 HG LEU 3 93.596 0.942 -14.824 18 1HD1 LEU 3 HD13 LEU 3 93.294 2.757 -12.419 19 2HD1 LEU 3 HD12 LEU 3 94.459 3.042 -13.711 20 3HD1 LEU 3 HD11 LEU 3 92.729 3.062 -14.063 21 1HD2 LEU 3 HD23 LEU 3 94.581 0.310 -12.048 22 2HD2 LEU 3 HD22 LEU 3 95.039 -0.436 -13.577 23 3HD2 LEU 3 HD21 LEU 3 95.615 1.182 -13.177 24 HA PRO 4 HA PRO 4 89.676 -3.956 -11.795 25 1HB PRO 4 2HB PRO 4 90.787 -3.324 -9.109 26 2HB PRO 4 3HB PRO 4 90.404 -4.900 -9.826 27 1HG PRO 4 2HG PRO 4 92.920 -4.002 -9.533 28 2HG PRO 4 3HG PRO 4 92.423 -5.068 -10.854 29 1HD PRO 4 2HD PRO 4 93.123 -2.186 -10.939 30 2HD PRO 4 3HD PRO 4 93.181 -3.410 -12.229 31 H HIS 5 HN HIS 5 90.458 -0.737 -10.849 32 HA HIS 5 HA HIS 5 88.322 -0.191 -9.046 33 1HB HIS 5 2HB HIS 5 89.732 1.656 -10.994 34 2HB HIS 5 3HB HIS 5 88.723 2.182 -9.646 35 HD1 HIS 5 HD1 HIS 5 89.586 0.727 -7.280 36 HD2 HIS 5 HD2 HIS 5 92.364 1.783 -10.207 37 HE1 HIS 5 HE1 HIS 5 91.862 0.661 -6.169 38 H HIS 6 HN HIS 6 88.349 -0.554 -12.532 39 HA HIS 6 HA HIS 6 85.982 0.990 -13.068 40 1HB HIS 6 2HB HIS 6 87.182 -1.364 -14.560 41 2HB HIS 6 3HB HIS 6 85.841 -0.389 -15.163 42 HD1 HIS 6 HD1 HIS 6 86.457 2.367 -15.034 43 HD2 HIS 6 HD2 HIS 6 89.607 -0.338 -15.440 44 HE1 HIS 6 HE1 HIS 6 88.454 3.703 -15.845 45 H ASP 7 HN ASP 7 86.467 -2.394 -12.130 46 HA ASP 7 HA ASP 7 83.543 -2.815 -12.153 47 1HB ASP 7 2HB ASP 7 85.850 -4.721 -11.669 48 2HB ASP 7 3HB ASP 7 84.148 -5.190 -11.624 49 H GLU 8 HN GLU 8 82.383 -2.646 -10.307 50 HA GLU 8 HA GLU 8 83.657 -1.926 -7.811 51 1HB GLU 8 2HB GLU 8 80.808 -2.722 -8.457 52 2HB GLU 8 3HB GLU 8 81.339 -2.132 -6.883 53 1HG GLU 8 2HG GLU 8 80.658 -0.143 -7.827 54 2HG GLU 8 3HG GLU 8 82.338 -0.165 -8.360 55 H LYS 9 HN LYS 9 82.517 -4.895 -9.248 56 HA LYS 9 HA LYS 9 82.281 -6.510 -6.931 57 1HB LYS 9 2HB LYS 9 82.508 -8.397 -8.414 58 2HB LYS 9 3HB LYS 9 81.636 -7.141 -9.291 59 1HG LYS 9 2HG LYS 9 83.201 -7.278 -10.902 60 2HG LYS 9 3HG LYS 9 84.338 -6.564 -9.758 61 1HD LYS 9 2HD LYS 9 84.418 -9.140 -8.923 62 2HD LYS 9 3HD LYS 9 84.052 -9.393 -10.631 63 1HE LYS 9 2HE LYS 9 85.962 -7.720 -11.089 64 2HE LYS 9 3HE LYS 9 86.421 -7.981 -9.408 65 1HZ LYS 9 HZ3 LYS 9 86.168 -10.482 -10.147 66 2HZ LYS 9 HZ2 LYS 9 86.521 -9.827 -11.675 67 3HZ LYS 9 HZ1 LYS 9 87.613 -9.624 -10.388 68 H THR 10 HN THR 10 85.084 -5.213 -8.499 69 HA THR 10 HA THR 10 87.029 -7.096 -7.526 70 HB THR 10 HB THR 10 88.624 -5.118 -7.867 71 HG1 THR 10 HG1 THR 10 86.808 -3.743 -9.304 72 1HG2 THR 10 HG23 THR 10 86.772 -5.953 -10.105 73 2HG2 THR 10 HG22 THR 10 88.303 -5.117 -10.339 74 3HG2 THR 10 HG21 THR 10 88.283 -6.736 -9.644 75 H TRP 11 HN TRP 11 85.490 -4.277 -6.042 76 HA TRP 11 HA TRP 11 86.980 -4.947 -3.535 77 1HB TRP 11 2HB TRP 11 86.389 -2.291 -3.242 78 2HB TRP 11 3HB TRP 11 87.944 -2.908 -3.814 79 HD1 TRP 11 HD1 TRP 11 88.141 -3.196 -6.559 80 HE1 TRP 11 HE1 TRP 11 87.184 -1.696 -8.418 81 HE3 TRP 11 HE3 TRP 11 84.557 -0.749 -3.909 82 HZ2 TRP 11 HZ2 TRP 11 85.156 0.320 -8.722 83 HZ3 TRP 11 HZ3 TRP 11 83.125 0.955 -4.991 84 HH2 TRP 11 HH2 TRP 11 83.418 1.494 -7.392 85 H ASN 12 HN ASN 12 83.995 -3.794 -5.010 86 HA ASN 12 HA ASN 12 82.673 -3.477 -2.427 87 1HB ASN 12 2HB ASN 12 80.868 -2.653 -3.622 88 2HB ASN 12 3HB ASN 12 82.190 -2.301 -4.732 89 1HD2 ASN 12 HD22 ASN 12 79.451 -4.075 -6.591 90 2HD2 ASN 12 HD21 ASN 12 79.514 -2.659 -5.657 91 H VAL 13 HN VAL 13 81.123 -4.811 -1.535 92 HA VAL 13 HA VAL 13 80.899 -7.538 -2.742 93 HB VAL 13 HB VAL 13 80.882 -8.425 -0.433 94 1HG1 VAL 13 HG13 VAL 13 83.044 -7.743 -1.871 95 2HG1 VAL 13 HG12 VAL 13 83.313 -6.696 -0.480 96 3HG1 VAL 13 HG11 VAL 13 83.181 -8.440 -0.259 97 1HG2 VAL 13 HG22 VAL 13 81.466 -5.537 0.306 98 2HG2 VAL 13 HG21 VAL 13 79.968 -6.398 0.653 99 3HG2 VAL 13 HG23 VAL 13 81.472 -6.901 1.428 100 H GLY 14 HN GLY 14 79.304 -4.762 -1.860 101 1HA GLY 14 2HA GLY 14 77.019 -4.251 -1.706 102 2HA GLY 14 3HA GLY 14 76.691 -5.884 -2.277 103 H SER 15 HN SER 15 75.316 -6.806 -0.828 104 HA SER 15 HA SER 15 75.269 -6.093 1.961 105 1HB SER 15 2HB SER 15 74.070 -8.402 0.415 106 2HB SER 15 3HB SER 15 73.839 -8.204 2.154 107 HG SER 15 HG SER 15 73.371 -5.862 1.065 108 H SER 16 HN SER 16 76.320 -7.040 3.671 109 HA SER 16 HA SER 16 77.677 -9.613 3.459 110 1HB SER 16 2HB SER 16 79.956 -8.708 3.808 111 2HB SER 16 3HB SER 16 79.300 -8.166 2.268 112 HG SER 16 HG SER 16 79.070 -6.174 3.056 113 H ASN 17 HN ASN 17 78.834 -10.079 5.562 114 HA ASN 17 HA ASN 17 77.471 -8.614 7.782 115 1HB ASN 17 2HB ASN 17 78.602 -11.415 7.582 116 2HB ASN 17 3HB ASN 17 78.094 -10.693 9.111 117 1HD2 ASN 17 HD22 ASN 17 75.307 -12.183 6.618 118 2HD2 ASN 17 HD21 ASN 17 76.970 -12.392 6.352 119 H ARG 18 HN ARG 18 78.769 -7.691 9.426 120 HA ARG 18 HA ARG 18 81.451 -6.995 8.742 121 1HB ARG 18 2HB ARG 18 80.055 -6.960 11.432 122 2HB ARG 18 3HB ARG 18 81.653 -6.275 11.144 123 1HG ARG 18 2HG ARG 18 80.489 -4.956 9.220 124 2HG ARG 18 3HG ARG 18 78.996 -5.358 10.065 125 1HD ARG 18 2HD ARG 18 81.342 -3.763 11.087 126 2HD ARG 18 3HD ARG 18 79.669 -3.243 10.949 127 HE ARG 18 HE ARG 18 80.836 -4.478 13.228 128 1HH1 ARG 18 HH21 ARG 18 78.031 -4.766 11.234 129 2HH1 ARG 18 HH22 ARG 18 77.154 -5.708 12.392 130 1HH2 ARG 18 HH11 ARG 18 79.702 -5.670 14.746 131 2HH2 ARG 18 HH12 ARG 18 78.099 -6.219 14.383 132 H ASN 19 HN ASN 19 80.160 -9.615 10.753 133 HA ASN 19 HA ASN 19 82.630 -10.457 11.873 134 1HB ASN 19 2HB ASN 19 80.097 -11.953 11.183 135 2HB ASN 19 3HB ASN 19 81.466 -12.740 11.966 136 1HD2 ASN 19 HD22 ASN 19 78.959 -11.013 14.390 137 2HD2 ASN 19 HD21 ASN 19 78.616 -11.803 12.927 138 H LYS 20 HN LYS 20 81.027 -11.584 8.857 139 HA LYS 20 HA LYS 20 83.227 -13.310 8.150 140 1HB LYS 20 2HB LYS 20 82.054 -13.771 6.209 141 2HB LYS 20 3HB LYS 20 80.746 -13.189 7.238 142 1HG LYS 20 2HG LYS 20 81.037 -10.923 6.284 143 2HG LYS 20 3HG LYS 20 82.278 -11.552 5.202 144 1HD LYS 20 2HD LYS 20 80.187 -13.323 4.847 145 2HD LYS 20 3HD LYS 20 79.368 -11.770 5.024 146 1HE LYS 20 2HE LYS 20 80.967 -10.829 3.314 147 2HE LYS 20 3HE LYS 20 81.548 -12.476 3.047 148 1HZ LYS 20 HZ1 LYS 20 78.900 -12.809 2.918 149 2HZ LYS 20 HZ3 LYS 20 79.051 -11.252 2.264 150 3HZ LYS 20 HZ2 LYS 20 79.894 -12.551 1.565 151 H ALA 21 HN ALA 21 82.578 -9.897 7.758 152 HA ALA 21 HA ALA 21 84.466 -9.344 5.677 153 1HB ALA 21 HB3 ALA 21 82.707 -7.786 6.962 154 2HB ALA 21 HB2 ALA 21 84.130 -7.401 7.929 155 3HB ALA 21 HB1 ALA 21 84.140 -7.105 6.190 156 H GLU 22 HN GLU 22 84.750 -9.873 9.147 157 HA GLU 22 HA GLU 22 87.459 -9.028 9.481 158 1HB GLU 22 2HB GLU 22 85.823 -11.151 10.901 159 2HB GLU 22 3HB GLU 22 87.457 -10.702 11.394 160 1HG GLU 22 2HG GLU 22 86.753 -8.387 11.747 161 2HG GLU 22 3HG GLU 22 85.128 -8.773 11.169 162 H ASN 23 HN ASN 23 86.038 -12.197 8.676 163 HA ASN 23 HA ASN 23 88.496 -13.608 8.368 164 1HB ASN 23 2HB ASN 23 85.783 -13.963 7.063 165 2HB ASN 23 3HB ASN 23 87.125 -15.070 6.780 166 1HD2 ASN 23 HD22 ASN 23 85.043 -16.307 9.682 167 2HD2 ASN 23 HD21 ASN 23 84.673 -15.898 8.076 168 H LEU 24 HN LEU 24 86.543 -11.743 6.012 169 HA LEU 24 HA LEU 24 88.392 -12.188 3.828 170 1HB LEU 24 2HB LEU 24 86.254 -10.101 4.319 171 2HB LEU 24 3HB LEU 24 87.222 -10.142 2.848 172 HG LEU 24 HG LEU 24 85.679 -12.553 3.813 173 1HD1 LEU 24 HD11 LEU 24 84.808 -10.257 2.047 174 2HD1 LEU 24 HD13 LEU 24 83.997 -11.824 2.042 175 3HD1 LEU 24 HD12 LEU 24 84.020 -10.846 3.512 176 1HD2 LEU 24 HD21 LEU 24 87.575 -12.139 1.779 177 2HD2 LEU 24 HD23 LEU 24 86.501 -13.529 1.940 178 3HD2 LEU 24 HD22 LEU 24 86.021 -12.151 0.948 179 H LEU 25 HN LEU 25 88.241 -10.026 6.543 180 HA LEU 25 HA LEU 25 90.399 -8.306 5.439 181 1HB LEU 25 2HB LEU 25 88.761 -8.153 7.988 182 2HB LEU 25 3HB LEU 25 90.026 -7.007 7.565 183 HG LEU 25 HG LEU 25 87.753 -7.583 5.667 184 1HD1 LEU 25 HD11 LEU 25 87.077 -6.766 8.081 185 2HD1 LEU 25 HD13 LEU 25 87.742 -5.225 7.535 186 3HD1 LEU 25 HD12 LEU 25 86.395 -5.963 6.667 187 1HD2 LEU 25 HD21 LEU 25 89.800 -5.394 6.072 188 2HD2 LEU 25 HD23 LEU 25 89.554 -6.403 4.648 189 3HD2 LEU 25 HD22 LEU 25 88.377 -5.160 5.062 190 H ARG 26 HN ARG 26 90.018 -11.102 7.292 191 HA ARG 26 HA ARG 26 92.590 -10.659 8.733 192 1HB ARG 26 2HB ARG 26 90.225 -12.472 9.213 193 2HB ARG 26 3HB ARG 26 91.792 -12.794 9.969 194 1HG ARG 26 2HG ARG 26 91.729 -10.367 10.785 195 2HG ARG 26 3HG ARG 26 90.029 -10.362 10.300 196 1HD ARG 26 2HD ARG 26 91.280 -12.377 12.189 197 2HD ARG 26 3HD ARG 26 90.313 -10.984 12.697 198 HE ARG 26 HE ARG 26 88.656 -12.285 10.917 199 1HH1 ARG 26 HH21 ARG 26 90.482 -13.174 13.702 200 2HH1 ARG 26 HH22 ARG 26 89.396 -14.438 14.176 201 1HH2 ARG 26 HH11 ARG 26 87.245 -13.953 11.500 202 2HH2 ARG 26 HH12 ARG 26 87.563 -14.882 12.928 203 H GLY 27 HN GLY 27 94.363 -11.806 8.148 204 1HA GLY 27 2HA GLY 27 95.433 -13.892 7.453 205 2HA GLY 27 3HA GLY 27 93.994 -14.276 6.507 206 H LYS 28 HN LYS 28 94.427 -11.091 5.941 207 HA LYS 28 HA LYS 28 96.269 -11.636 3.662 208 1HB LYS 28 2HB LYS 28 94.897 -10.031 2.347 209 2HB LYS 28 3HB LYS 28 93.995 -11.459 2.856 210 1HG LYS 28 2HG LYS 28 93.047 -10.210 4.747 211 2HG LYS 28 3HG LYS 28 93.970 -8.782 4.272 212 1HD LYS 28 2HD LYS 28 91.598 -8.739 3.459 213 2HD LYS 28 3HD LYS 28 92.782 -8.658 2.159 214 1HE LYS 28 2HE LYS 28 92.410 -10.862 1.488 215 2HE LYS 28 3HE LYS 28 91.732 -11.325 3.049 216 1HZ LYS 28 HZ1 LYS 28 89.911 -9.649 2.471 217 2HZ LYS 28 HZ3 LYS 28 90.481 -9.767 0.877 218 3HZ LYS 28 HZ2 LYS 28 89.897 -11.150 1.673 219 H ARG 29 HN ARG 29 97.501 -9.868 2.925 220 HA ARG 29 HA ARG 29 98.585 -8.202 5.025 221 1HB ARG 29 2HB ARG 29 99.832 -9.218 3.029 222 2HB ARG 29 3HB ARG 29 99.133 -7.920 2.067 223 1HG ARG 29 2HG ARG 29 100.078 -6.333 3.876 224 2HG ARG 29 3HG ARG 29 101.058 -7.707 4.379 225 1HD ARG 29 2HD ARG 29 100.981 -6.644 1.542 226 2HD ARG 29 3HD ARG 29 102.213 -6.207 2.728 227 HE ARG 29 HE ARG 29 102.256 -8.976 2.727 228 1HH1 ARG 29 HH21 ARG 29 102.453 -6.490 0.332 229 2HH1 ARG 29 HH22 ARG 29 103.503 -7.400 -0.705 230 1HH2 ARG 29 HH11 ARG 29 103.623 -10.155 1.388 231 2HH2 ARG 29 HH12 ARG 29 104.169 -9.466 -0.103 232 H ASP 30 HN ASP 30 98.776 -5.843 4.891 233 HA ASP 30 HA ASP 30 96.302 -4.480 4.590 234 1HB ASP 30 2HB ASP 30 97.593 -2.433 4.835 235 2HB ASP 30 3HB ASP 30 98.203 -3.645 5.960 236 H GLY 31 HN GLY 31 95.972 -2.602 3.095 237 1HA GLY 31 2HA GLY 31 96.308 -1.546 0.937 238 2HA GLY 31 3HA GLY 31 97.231 -2.960 0.422 239 H THR 32 HN THR 32 95.284 -4.888 1.430 240 HA THR 32 HA THR 32 93.438 -4.824 -0.854 241 HB THR 32 HB THR 32 93.607 -6.797 1.442 242 HG1 THR 32 HG1 THR 32 95.377 -7.372 0.507 243 1HG2 THR 32 HG23 THR 32 92.235 -6.783 -1.246 244 2HG2 THR 32 HG22 THR 32 92.594 -8.289 -0.402 245 3HG2 THR 32 HG21 THR 32 91.530 -7.094 0.340 246 H PHE 33 HN PHE 33 91.498 -3.770 -0.721 247 HA PHE 33 HA PHE 33 90.149 -3.827 1.929 248 1HB PHE 33 2HB PHE 33 89.957 -1.571 2.104 249 2HB PHE 33 3HB PHE 33 91.419 -1.591 1.114 250 HD1 PHE 33 HD1 PHE 33 91.151 -1.450 -1.422 251 HD2 PHE 33 HD2 PHE 33 87.970 -0.646 1.324 252 HE1 PHE 33 HE1 PHE 33 89.908 -0.243 -3.195 253 HE2 PHE 33 HE2 PHE 33 86.741 0.555 -0.464 254 HZ PHE 33 HZ PHE 33 87.705 0.739 -2.712 255 H LEU 34 HN LEU 34 87.825 -3.235 1.782 256 HA LEU 34 HA LEU 34 86.657 -3.900 -0.893 257 1HB LEU 34 2HB LEU 34 85.166 -4.813 1.496 258 2HB LEU 34 3HB LEU 34 85.398 -5.611 -0.057 259 HG LEU 34 HG LEU 34 87.924 -5.755 0.889 260 1HD1 LEU 34 HD13 LEU 34 86.076 -5.734 3.286 261 2HD1 LEU 34 HD12 LEU 34 87.680 -6.468 3.314 262 3HD1 LEU 34 HD11 LEU 34 87.508 -4.737 3.029 263 1HD2 LEU 34 HD21 LEU 34 86.376 -7.575 0.098 264 2HD2 LEU 34 HD23 LEU 34 87.432 -8.052 1.420 265 3HD2 LEU 34 HD22 LEU 34 85.741 -7.667 1.729 266 H VAL 35 HN VAL 35 84.310 -3.278 -1.004 267 HA VAL 35 HA VAL 35 83.748 -0.884 0.692 268 HB VAL 35 HB VAL 35 83.084 -1.395 -2.229 269 1HG1 VAL 35 HG13 VAL 35 81.742 0.301 -0.210 270 2HG1 VAL 35 HG12 VAL 35 82.196 1.139 -1.691 271 3HG1 VAL 35 HG11 VAL 35 81.146 -0.275 -1.766 272 1HG2 VAL 35 HG21 VAL 35 84.631 0.729 -0.744 273 2HG2 VAL 35 HG23 VAL 35 85.285 -0.456 -1.870 274 3HG2 VAL 35 HG22 VAL 35 84.227 0.830 -2.452 275 H ARG 36 HN ARG 36 82.057 -1.205 2.018 276 HA ARG 36 HA ARG 36 79.809 -2.926 1.114 277 1HB ARG 36 2HB ARG 36 79.753 -4.126 3.250 278 2HB ARG 36 3HB ARG 36 81.317 -4.377 2.477 279 1HG ARG 36 2HG ARG 36 82.390 -2.801 3.931 280 2HG ARG 36 3HG ARG 36 80.845 -2.212 4.545 281 1HD ARG 36 2HD ARG 36 81.721 -5.086 4.873 282 2HD ARG 36 3HD ARG 36 82.108 -3.845 6.058 283 HE ARG 36 HE ARG 36 79.364 -3.601 5.738 284 1HH1 ARG 36 HH21 ARG 36 81.570 -6.166 6.356 285 2HH1 ARG 36 HH22 ARG 36 80.476 -7.056 7.364 286 1HH2 ARG 36 HH11 ARG 36 77.916 -4.738 7.080 287 2HH2 ARG 36 HH12 ARG 36 78.415 -6.237 7.787 288 H GLU 37 HN GLU 37 78.133 -2.788 3.193 289 HA GLU 37 HA GLU 37 77.874 0.140 3.620 290 1HB GLU 37 2HB GLU 37 75.948 -0.980 2.579 291 2HB GLU 37 3HB GLU 37 75.886 -2.139 3.902 292 1HG GLU 37 2HG GLU 37 75.403 -0.320 5.488 293 2HG GLU 37 3HG GLU 37 75.479 0.850 4.170 294 H SER 38 HN SER 38 77.103 0.737 5.879 295 HA SER 38 HA SER 38 78.737 -0.680 7.863 296 1HB SER 38 2HB SER 38 78.421 1.742 8.130 297 2HB SER 38 3HB SER 38 76.673 1.534 8.141 298 HG SER 38 HG SER 38 76.774 0.954 10.160 299 H SER 39 HN SER 39 76.392 -1.695 6.253 300 HA SER 39 HA SER 39 74.831 -3.363 6.486 301 1HB SER 39 2HB SER 39 76.350 -4.169 8.377 302 2HB SER 39 3HB SER 39 75.336 -3.244 9.482 303 HG SER 39 HG SER 39 73.644 -4.550 8.068 304 H LYS 40 HN LYS 40 74.600 -1.394 9.466 305 HA LYS 40 HA LYS 40 71.739 -0.870 8.835 306 1HB LYS 40 2HB LYS 40 73.340 -0.459 11.379 307 2HB LYS 40 3HB LYS 40 71.626 -0.083 11.201 308 1HG LYS 40 2HG LYS 40 71.351 -2.536 10.439 309 2HG LYS 40 3HG LYS 40 72.965 -2.791 11.108 310 1HD LYS 40 2HD LYS 40 72.237 -2.036 13.302 311 2HD LYS 40 3HD LYS 40 70.648 -1.603 12.667 312 1HE LYS 40 2HE LYS 40 70.211 -3.962 12.112 313 2HE LYS 40 3HE LYS 40 71.809 -4.408 12.716 314 1HZ LYS 40 HZ1 LYS 40 70.453 -2.872 14.651 315 2HZ LYS 40 HZ3 LYS 40 69.456 -4.158 14.171 316 3HZ LYS 40 HZ2 LYS 40 71.018 -4.470 14.766 317 H GLN 41 HN GLN 41 70.986 1.408 9.378 318 HA GLN 41 HA GLN 41 71.139 3.736 9.117 319 1HB GLN 41 2HB GLN 41 74.143 3.376 9.286 320 2HB GLN 41 3HB GLN 41 73.219 4.836 9.616 321 1HG GLN 41 2HG GLN 41 72.380 2.491 11.198 322 2HG GLN 41 3HG GLN 41 74.015 3.055 11.538 323 1HE2 GLN 41 HE22 GLN 41 70.900 5.659 12.239 324 2HE2 GLN 41 HE21 GLN 41 70.720 4.473 11.037 325 H GLY 42 HN GLY 42 71.799 1.562 6.920 326 1HA GLY 42 2HA GLY 42 72.496 1.560 4.658 327 2HA GLY 42 3HA GLY 42 71.547 3.046 4.630 328 H CYS 43 HN CYS 43 74.455 2.798 6.581 329 HA CYS 43 HA CYS 43 75.629 5.009 5.026 330 1HB CYS 43 2HB CYS 43 75.698 4.915 7.560 331 2HB CYS 43 3HB CYS 43 76.835 3.577 7.406 332 HG CYS 43 HG CYS 43 77.431 6.470 6.375 333 H TYR 44 HN TYR 44 77.316 4.812 3.625 334 HA TYR 44 HA TYR 44 78.136 2.118 2.822 335 1HB TYR 44 2HB TYR 44 78.947 4.881 1.873 336 2HB TYR 44 3HB TYR 44 79.552 3.390 1.155 337 HD1 TYR 44 HD2 TYR 44 76.590 5.535 1.653 338 HD2 TYR 44 HD1 TYR 44 78.089 1.947 -0.179 339 HE1 TYR 44 HE2 TYR 44 74.537 5.379 0.271 340 HE2 TYR 44 HE1 TYR 44 76.035 1.794 -1.560 341 HH TYR 44 HH TYR 44 73.268 3.316 -0.904 342 H ALA 45 HN ALA 45 80.372 1.350 2.957 343 HA ALA 45 HA ALA 45 82.236 2.979 4.550 344 1HB ALA 45 HB3 ALA 45 81.085 0.367 5.568 345 2HB ALA 45 HB2 ALA 45 82.498 1.159 6.263 346 3HB ALA 45 HB1 ALA 45 80.924 1.955 6.318 347 H CYS 46 HN CYS 46 84.371 2.393 4.170 348 HA CYS 46 HA CYS 46 84.745 0.088 2.318 349 1HB CYS 46 2HB CYS 46 86.564 2.465 2.808 350 2HB CYS 46 3HB CYS 46 86.852 1.172 1.641 351 HG CYS 46 HG CYS 46 84.674 1.956 0.365 352 H SER 47 HN SER 47 85.541 -1.683 3.277 353 HA SER 47 HA SER 47 86.908 -1.442 5.889 354 1HB SER 47 2HB SER 47 85.958 -3.819 4.279 355 2HB SER 47 3HB SER 47 86.745 -3.943 5.846 356 HG SER 47 HG SER 47 84.438 -2.369 5.359 357 H VAL 48 HN VAL 48 89.128 -1.518 6.033 358 HA VAL 48 HA VAL 48 90.607 -2.813 3.792 359 HB VAL 48 HB VAL 48 91.662 -0.899 3.204 360 1HG1 VAL 48 HG11 VAL 48 89.709 0.329 5.176 361 2HG1 VAL 48 HG13 VAL 48 90.570 1.217 3.919 362 3HG1 VAL 48 HG12 VAL 48 89.386 -0.014 3.479 363 1HG2 VAL 48 HG23 VAL 48 92.015 -0.446 6.186 364 2HG2 VAL 48 HG22 VAL 48 93.231 -0.975 5.021 365 3HG2 VAL 48 HG21 VAL 48 92.616 0.675 4.964 366 H VAL 49 HN VAL 49 92.553 -3.843 4.398 367 HA VAL 49 HA VAL 49 92.853 -4.324 7.311 368 HB VAL 49 HB VAL 49 94.232 -5.600 4.931 369 1HG1 VAL 49 HG11 VAL 49 94.387 -6.080 7.903 370 2HG1 VAL 49 HG13 VAL 49 94.759 -7.363 6.755 371 3HG1 VAL 49 HG12 VAL 49 95.711 -5.879 6.758 372 1HG2 VAL 49 HG23 VAL 49 91.936 -6.463 6.695 373 2HG2 VAL 49 HG22 VAL 49 91.897 -6.190 4.955 374 3HG2 VAL 49 HG21 VAL 49 92.788 -7.561 5.616 375 H VAL 50 HN VAL 50 94.775 -3.765 8.443 376 HA VAL 50 HA VAL 50 96.707 -2.157 6.836 377 HB VAL 50 HB VAL 50 95.052 -1.055 8.668 378 1HG1 VAL 50 HG11 VAL 50 96.008 -2.453 10.479 379 2HG1 VAL 50 HG13 VAL 50 97.574 -1.703 10.207 380 3HG1 VAL 50 HG12 VAL 50 96.218 -0.736 10.776 381 1HG2 VAL 50 HG23 VAL 50 97.771 -0.417 7.672 382 2HG2 VAL 50 HG22 VAL 50 96.288 0.522 7.536 383 3HG2 VAL 50 HG21 VAL 50 97.209 0.535 9.039 384 H ASP 51 HN ASP 51 98.902 -2.122 7.728 385 HA ASP 51 HA ASP 51 99.815 -4.747 8.381 386 1HB ASP 51 2HB ASP 51 101.184 -3.048 7.185 387 2HB ASP 51 3HB ASP 51 101.299 -2.117 8.683 388 H GLY 52 HN GLY 52 98.043 -4.523 10.340 389 1HA GLY 52 2HA GLY 52 99.443 -5.027 12.702 390 2HA GLY 52 3HA GLY 52 99.081 -3.304 12.755 391 H GLU 53 HN GLU 53 96.468 -3.606 11.368 392 HA GLU 53 HA GLU 53 94.887 -5.416 13.054 393 1HB GLU 53 2HB GLU 53 94.661 -2.415 13.425 394 2HB GLU 53 3HB GLU 53 93.527 -3.594 14.080 395 1HG GLU 53 2HG GLU 53 95.490 -4.685 15.257 396 2HG GLU 53 3HG GLU 53 96.461 -3.295 14.768 397 H VAL 54 HN VAL 54 92.512 -5.188 12.566 398 HA VAL 54 HA VAL 54 92.143 -4.456 9.702 399 HB VAL 54 HB VAL 54 90.664 -6.230 11.639 400 1HG1 VAL 54 HG11 VAL 54 89.646 -5.076 9.025 401 2HG1 VAL 54 HG13 VAL 54 88.959 -6.512 9.784 402 3HG1 VAL 54 HG12 VAL 54 88.888 -4.959 10.614 403 1HG2 VAL 54 HG22 VAL 54 91.845 -6.548 8.870 404 2HG2 VAL 54 HG21 VAL 54 92.446 -7.260 10.365 405 3HG2 VAL 54 HG23 VAL 54 90.912 -7.803 9.682 406 H LYS 55 HN LYS 55 91.067 -2.575 9.208 407 HA LYS 55 HA LYS 55 89.384 -1.401 11.393 408 1HB LYS 55 2HB LYS 55 90.820 0.183 9.258 409 2HB LYS 55 3HB LYS 55 90.087 0.782 10.747 410 1HG LYS 55 2HG LYS 55 92.171 0.609 11.631 411 2HG LYS 55 3HG LYS 55 91.830 -1.120 11.699 412 1HD LYS 55 2HD LYS 55 93.781 -1.195 10.468 413 2HD LYS 55 3HD LYS 55 92.626 -1.005 9.150 414 1HE LYS 55 2HE LYS 55 93.092 1.606 9.966 415 2HE LYS 55 3HE LYS 55 94.679 0.849 10.107 416 1HZ LYS 55 HZ2 LYS 55 93.014 0.467 7.701 417 2HZ LYS 55 HZ1 LYS 55 94.006 1.838 7.866 418 3HZ LYS 55 HZ3 LYS 55 94.692 0.287 7.868 419 H HIS 56 HN HIS 56 87.411 -0.475 10.818 420 HA HIS 56 HA HIS 56 86.490 -1.075 8.038 421 1HB HIS 56 2HB HIS 56 84.882 -0.831 10.604 422 2HB HIS 56 3HB HIS 56 84.212 -1.171 9.011 423 HD1 HIS 56 HD1 HIS 56 85.309 -2.896 11.955 424 HD2 HIS 56 HD2 HIS 56 85.594 -3.657 7.863 425 HE1 HIS 56 HE1 HIS 56 85.792 -5.375 11.714 426 H CYS 57 HN CYS 57 87.222 0.987 7.231 427 HA CYS 57 HA CYS 57 86.506 3.490 8.452 428 1HB CYS 57 2HB CYS 57 87.327 2.724 5.643 429 2HB CYS 57 3HB CYS 57 86.984 4.392 6.099 430 HG CYS 57 HG CYS 57 89.603 3.598 6.414 431 H VAL 58 HN VAL 58 84.695 4.759 8.164 432 HA VAL 58 HA VAL 58 82.457 3.482 6.670 433 HB VAL 58 HB VAL 58 82.290 3.991 9.178 434 1HG1 VAL 58 HG11 VAL 58 83.358 6.303 8.829 435 2HG1 VAL 58 HG13 VAL 58 81.786 6.806 8.208 436 3HG1 VAL 58 HG12 VAL 58 81.933 6.236 9.869 437 1HG2 VAL 58 HG22 VAL 58 80.285 5.141 7.213 438 2HG2 VAL 58 HG21 VAL 58 80.294 3.510 7.883 439 3HG2 VAL 58 HG23 VAL 58 79.950 4.889 8.927 440 H ILE 59 HN ILE 59 81.532 4.535 4.965 441 HA ILE 59 HA ILE 59 82.392 7.344 4.467 442 HB ILE 59 HB ILE 59 81.890 5.165 2.412 443 1HG1 ILE 59 HG12 ILE 59 84.408 6.570 3.356 444 2HG1 ILE 59 HG11 ILE 59 84.022 4.857 3.538 445 1HG2 ILE 59 HG23 ILE 59 81.448 7.829 2.034 446 2HG2 ILE 59 HG22 ILE 59 83.169 7.737 1.658 447 3HG2 ILE 59 HG21 ILE 59 82.017 6.748 0.763 448 1HD1 ILE 59 HD12 ILE 59 83.839 4.785 0.987 449 2HD1 ILE 59 HD11 ILE 59 84.601 6.372 0.996 450 3HD1 ILE 59 HD13 ILE 59 85.464 4.981 1.648 451 H ASN 60 HN ASN 60 80.758 8.767 3.714 452 HA ASN 60 HA ASN 60 77.991 7.610 3.869 453 1HB ASN 60 2HB ASN 60 78.572 9.275 5.654 454 2HB ASN 60 3HB ASN 60 78.868 10.471 4.388 455 1HD2 ASN 60 HD22 ASN 60 74.994 9.135 4.780 456 2HD2 ASN 60 HD21 ASN 60 76.270 8.046 5.013 457 H LYS 61 HN LYS 61 77.014 7.541 1.861 458 HA LYS 61 HA LYS 61 78.141 9.182 -0.306 459 1HB LYS 61 2HB LYS 61 77.430 6.851 -0.754 460 2HB LYS 61 3HB LYS 61 75.772 7.292 -0.342 461 1HG LYS 61 2HG LYS 61 75.913 9.073 -2.149 462 2HG LYS 61 3HG LYS 61 77.435 8.335 -2.649 463 1HD LYS 61 2HD LYS 61 76.245 6.156 -2.926 464 2HD LYS 61 3HD LYS 61 74.730 6.975 -2.541 465 1HE LYS 61 2HE LYS 61 76.564 7.663 -4.855 466 2HE LYS 61 3HE LYS 61 75.028 6.803 -4.981 467 1HZ LYS 61 HZ3 LYS 61 73.998 8.789 -3.896 468 2HZ LYS 61 HZ2 LYS 61 75.472 9.602 -4.109 469 3HZ LYS 61 HZ1 LYS 61 74.593 9.059 -5.458 470 H THR 62 HN THR 62 77.505 11.244 -0.503 471 HA THR 62 HA THR 62 74.620 11.888 -0.391 472 HB THR 62 HB THR 62 76.677 13.413 1.222 473 HG1 THR 62 HG1 THR 62 75.657 12.526 2.992 474 1HG2 THR 62 HG21 THR 62 73.804 13.828 0.529 475 2HG2 THR 62 HG23 THR 62 74.341 14.288 2.146 476 3HG2 THR 62 HG22 THR 62 75.095 15.014 0.726 477 H ALA 63 HN ALA 63 74.251 14.122 -1.267 478 HA ALA 63 HA ALA 63 75.618 14.551 -3.709 479 1HB ALA 63 HB1 ALA 63 73.969 16.399 -1.964 480 2HB ALA 63 HB3 ALA 63 74.560 16.868 -3.559 481 3HB ALA 63 HB2 ALA 63 73.437 15.518 -3.396 482 H THR 64 HN THR 64 75.959 16.314 -0.594 483 HA THR 64 HA THR 64 78.603 17.274 -1.559 484 HB THR 64 HB THR 64 78.214 19.107 0.089 485 HG1 THR 64 HG1 THR 64 76.138 19.306 0.924 486 1HG2 THR 64 HG22 THR 64 76.437 18.607 -2.259 487 2HG2 THR 64 HG21 THR 64 76.179 20.051 -1.279 488 3HG2 THR 64 HG23 THR 64 77.732 19.791 -2.073 489 H GLY 65 HN GLY 65 77.739 14.756 0.166 490 1HA GLY 65 2HA GLY 65 79.407 15.432 2.551 491 2HA GLY 65 3HA GLY 65 78.243 14.116 2.503 492 H TYR 66 HN TYR 66 78.815 12.245 1.071 493 HA TYR 66 HA TYR 66 80.324 10.615 0.305 494 1HB TYR 66 2HB TYR 66 82.300 12.918 0.142 495 2HB TYR 66 3HB TYR 66 82.545 11.306 -0.514 496 HD1 TYR 66 HD1 TYR 66 80.942 10.434 -2.272 497 HD2 TYR 66 HD2 TYR 66 81.070 14.553 -1.068 498 HE1 TYR 66 HE1 TYR 66 79.745 11.075 -4.347 499 HE2 TYR 66 HE2 TYR 66 79.873 15.196 -3.141 500 HH TYR 66 HH TYR 66 78.457 12.806 -5.245 501 H GLY 67 HN GLY 67 83.046 10.281 0.915 502 1HA GLY 67 2HA GLY 67 82.988 9.184 3.495 503 2HA GLY 67 3HA GLY 67 84.469 9.593 2.639 504 H PHE 68 HN PHE 68 85.719 11.087 3.622 505 HA PHE 68 HA PHE 68 85.028 12.363 6.062 506 1HB PHE 68 2HB PHE 68 87.106 13.224 4.030 507 2HB PHE 68 3HB PHE 68 87.085 13.664 5.735 508 HD1 PHE 68 HD1 PHE 68 86.537 11.267 7.208 509 HD2 PHE 68 HD2 PHE 68 88.809 11.696 3.581 510 HE1 PHE 68 HE1 PHE 68 87.799 9.199 7.745 511 HE2 PHE 68 HE2 PHE 68 90.063 9.631 4.122 512 HZ PHE 68 HZ PHE 68 89.563 8.380 6.203 513 H ALA 69 HN ALA 69 85.106 13.652 2.739 514 HA ALA 69 HA ALA 69 83.932 15.451 1.794 515 1HB ALA 69 HB2 ALA 69 82.174 14.419 3.580 516 2HB ALA 69 HB1 ALA 69 82.401 16.018 4.281 517 3HB ALA 69 HB3 ALA 69 81.830 15.856 2.622 518 H GLU 70 HN GLU 70 86.141 15.652 4.163 519 HA GLU 70 HA GLU 70 85.809 18.604 4.458 520 1HB GLU 70 2HB GLU 70 87.386 16.641 6.148 521 2HB GLU 70 3HB GLU 70 87.414 18.391 6.371 522 1HG GLU 70 2HG GLU 70 85.029 18.429 6.831 523 2HG GLU 70 3HG GLU 70 84.887 16.712 6.453 524 HA PRO 71 HA PRO 71 90.215 18.023 2.768 525 1HB PRO 71 2HB PRO 71 91.049 15.592 1.961 526 2HB PRO 71 3HB PRO 71 91.026 16.047 3.677 527 1HG PRO 71 2HG PRO 71 89.251 14.237 2.191 528 2HG PRO 71 3HG PRO 71 89.671 14.250 3.902 529 1HD PRO 71 2HD PRO 71 87.290 15.315 2.689 530 2HD PRO 71 3HD PRO 71 87.756 15.385 4.403 531 H TYR 72 HN TYR 72 87.867 18.484 1.208 532 HA TYR 72 HA TYR 72 87.213 18.755 -1.021 533 1HB TYR 72 2HB TYR 72 90.134 18.099 -1.483 534 2HB TYR 72 3HB TYR 72 89.043 18.712 -2.723 535 HD1 TYR 72 HD2 TYR 72 87.978 20.977 -2.437 536 HD2 TYR 72 HD1 TYR 72 91.078 19.546 0.169 537 HE1 TYR 72 HE2 TYR 72 88.365 23.290 -1.628 538 HE2 TYR 72 HE1 TYR 72 91.466 21.856 0.977 539 HH TYR 72 HH TYR 72 89.392 24.264 0.711 540 H ASN 73 HN ASN 73 86.450 16.351 0.012 541 HA ASN 73 HA ASN 73 87.271 14.290 -1.968 542 1HB ASN 73 2HB ASN 73 85.700 14.122 0.614 543 2HB ASN 73 3HB ASN 73 85.947 12.751 -0.471 544 1HD2 ASN 73 HD22 ASN 73 89.668 13.891 0.367 545 2HD2 ASN 73 HD21 ASN 73 88.678 14.635 -0.795 546 H LEU 74 HN LEU 74 85.168 16.677 -2.144 547 HA LEU 74 HA LEU 74 82.643 15.372 -2.629 548 1HB LEU 74 2HB LEU 74 83.721 17.989 -3.728 549 2HB LEU 74 3HB LEU 74 82.034 17.477 -3.784 550 HG LEU 74 HG LEU 74 83.628 17.820 -1.228 551 1HD1 LEU 74 HD12 LEU 74 82.096 19.705 -2.910 552 2HD1 LEU 74 HD11 LEU 74 81.670 19.725 -1.199 553 3HD1 LEU 74 HD13 LEU 74 83.335 20.032 -1.695 554 1HD2 LEU 74 HD22 LEU 74 81.047 16.652 -1.892 555 2HD2 LEU 74 HD21 LEU 74 81.912 16.643 -0.354 556 3HD2 LEU 74 HD23 LEU 74 80.867 18.000 -0.769 557 H TYR 75 HN TYR 75 83.965 13.580 -3.854 558 HA TYR 75 HA TYR 75 84.728 14.181 -6.591 559 1HB TYR 75 2HB TYR 75 84.315 11.586 -5.090 560 2HB TYR 75 3HB TYR 75 84.786 11.650 -6.786 561 HD1 TYR 75 HD1 TYR 75 86.774 13.278 -7.340 562 HD2 TYR 75 HD2 TYR 75 86.023 11.588 -3.464 563 HE1 TYR 75 HE1 TYR 75 89.140 13.676 -6.713 564 HE2 TYR 75 HE2 TYR 75 88.393 11.989 -2.833 565 HH TYR 75 HH TYR 75 90.319 13.988 -4.092 566 H SER 76 HN SER 76 83.599 13.676 -8.483 567 HA SER 76 HA SER 76 80.780 14.016 -8.435 568 1HB SER 76 2HB SER 76 82.275 14.452 -10.407 569 2HB SER 76 3HB SER 76 82.386 12.709 -10.639 570 HG SER 76 HG SER 76 79.848 13.819 -10.347 571 H SER 77 HN SER 77 82.742 11.052 -8.605 572 HA SER 77 HA SER 77 80.222 9.545 -8.032 573 1HB SER 77 2HB SER 77 80.768 7.875 -9.639 574 2HB SER 77 3HB SER 77 81.015 9.408 -10.465 575 HG SER 77 HG SER 77 83.092 8.098 -9.065 576 H LEU 78 HN LEU 78 80.588 7.511 -6.929 577 HA LEU 78 HA LEU 78 82.572 7.664 -4.868 578 1HB LEU 78 2HB LEU 78 80.895 5.322 -5.818 579 2HB LEU 78 3HB LEU 78 81.846 5.342 -4.326 580 HG LEU 78 HG LEU 78 79.655 7.319 -5.003 581 1HD1 LEU 78 HD12 LEU 78 79.467 4.641 -4.090 582 2HD1 LEU 78 HD11 LEU 78 79.151 5.676 -2.695 583 3HD1 LEU 78 HD13 LEU 78 78.181 5.846 -4.157 584 1HD2 LEU 78 HD22 LEU 78 81.730 7.133 -2.926 585 2HD2 LEU 78 HD21 LEU 78 80.772 8.524 -3.435 586 3HD2 LEU 78 HD23 LEU 78 80.103 7.363 -2.286 587 H LYS 79 HN LYS 79 82.563 6.212 -8.048 588 HA LYS 79 HA LYS 79 84.679 4.355 -7.683 589 1HB LYS 79 2HB LYS 79 83.890 6.024 -10.089 590 2HB LYS 79 3HB LYS 79 85.076 4.717 -10.147 591 1HG LYS 79 2HG LYS 79 83.371 3.129 -9.321 592 2HG LYS 79 3HG LYS 79 82.181 4.436 -9.284 593 1HD LYS 79 2HD LYS 79 82.477 4.770 -11.712 594 2HD LYS 79 3HD LYS 79 83.648 3.454 -11.750 595 1HE LYS 79 2HE LYS 79 81.475 2.604 -12.452 596 2HE LYS 79 3HE LYS 79 81.883 1.916 -10.881 597 1HZ LYS 79 HZ2 LYS 79 80.588 4.297 -10.359 598 2HZ LYS 79 HZ1 LYS 79 79.684 3.550 -11.590 599 3HZ LYS 79 HZ3 LYS 79 79.978 2.726 -10.137 600 H GLU 80 HN GLU 80 84.748 7.811 -8.551 601 HA GLU 80 HA GLU 80 87.588 8.027 -8.789 602 1HB GLU 80 2HB GLU 80 85.461 10.040 -8.046 603 2HB GLU 80 3HB GLU 80 87.149 10.477 -8.295 604 1HG GLU 80 2HG GLU 80 87.078 9.653 -10.571 605 2HG GLU 80 3HG GLU 80 85.444 9.039 -10.334 606 H LEU 81 HN LEU 81 85.398 8.286 -6.015 607 HA LEU 81 HA LEU 81 87.262 9.261 -4.117 608 1HB LEU 81 2HB LEU 81 84.802 8.997 -3.740 609 2HB LEU 81 3HB LEU 81 85.042 7.253 -3.610 610 HG LEU 81 HG LEU 81 86.614 9.188 -1.904 611 1HD1 LEU 81 HD12 LEU 81 83.883 9.102 -1.775 612 2HD1 LEU 81 HD11 LEU 81 84.317 7.815 -0.648 613 3HD1 LEU 81 HD13 LEU 81 84.928 9.451 -0.399 614 1HD2 LEU 81 HD23 LEU 81 86.404 6.301 -2.198 615 2HD2 LEU 81 HD22 LEU 81 87.580 7.246 -1.290 616 3HD2 LEU 81 HD21 LEU 81 86.050 6.797 -0.546 617 H VAL 82 HN VAL 82 86.579 5.928 -5.180 618 HA VAL 82 HA VAL 82 88.375 4.672 -3.346 619 HB VAL 82 HB VAL 82 87.474 3.805 -6.105 620 1HG1 VAL 82 HG12 VAL 82 89.200 2.547 -4.019 621 2HG1 VAL 82 HG11 VAL 82 88.043 1.511 -4.857 622 3HG1 VAL 82 HG13 VAL 82 89.266 2.389 -5.777 623 1HG2 VAL 82 HG23 VAL 82 86.470 3.350 -3.290 624 2HG2 VAL 82 HG22 VAL 82 85.574 3.971 -4.677 625 3HG2 VAL 82 HG21 VAL 82 86.037 2.271 -4.616 626 H LEU 83 HN LEU 83 88.870 5.858 -6.703 627 HA LEU 83 HA LEU 83 91.615 5.068 -6.902 628 1HB LEU 83 2HB LEU 83 90.022 7.256 -8.257 629 2HB LEU 83 3HB LEU 83 91.726 6.972 -8.622 630 HG LEU 83 HG LEU 83 90.964 4.483 -8.930 631 1HD1 LEU 83 HD12 LEU 83 88.387 6.041 -9.167 632 2HD1 LEU 83 HD11 LEU 83 88.613 4.454 -9.892 633 3HD1 LEU 83 HD13 LEU 83 88.710 4.642 -8.142 634 1HD2 LEU 83 HD23 LEU 83 90.257 6.675 -10.906 635 2HD2 LEU 83 HD22 LEU 83 91.834 5.903 -10.733 636 3HD2 LEU 83 HD21 LEU 83 90.457 4.971 -11.317 637 H HIS 84 HN HIS 84 90.062 7.982 -5.634 638 HA HIS 84 HA HIS 84 92.384 9.577 -5.280 639 1HB HIS 84 2HB HIS 84 90.079 10.422 -5.010 640 2HB HIS 84 3HB HIS 84 89.915 9.474 -3.536 641 HD1 HIS 84 HD1 HIS 84 89.891 11.253 -1.769 642 HD2 HIS 84 HD2 HIS 84 93.052 11.753 -4.439 643 HE1 HIS 84 HE1 HIS 84 91.333 13.106 -0.828 644 H TYR 85 HN TYR 85 90.901 7.255 -2.946 645 HA TYR 85 HA TYR 85 92.899 7.762 -0.926 646 1HB TYR 85 2HB TYR 85 90.999 5.456 -1.378 647 2HB TYR 85 3HB TYR 85 92.160 5.464 -0.057 648 HD1 TYR 85 HD2 TYR 85 90.003 8.149 -1.560 649 HD2 TYR 85 HD1 TYR 85 91.093 5.928 1.952 650 HE1 TYR 85 HE2 TYR 85 88.483 9.552 -0.199 651 HE2 TYR 85 HE1 TYR 85 89.570 7.332 3.314 652 HH TYR 85 HH TYR 85 87.859 8.823 3.196 653 H GLN 86 HN GLN 86 92.794 5.684 -3.730 654 HA GLN 86 HA GLN 86 94.866 3.869 -3.042 655 1HB GLN 86 2HB GLN 86 93.415 3.649 -5.044 656 2HB GLN 86 3HB GLN 86 94.212 5.048 -5.766 657 1HG GLN 86 2HG GLN 86 96.053 2.945 -4.816 658 2HG GLN 86 3HG GLN 86 94.999 2.460 -6.146 659 1HE2 GLN 86 HE22 GLN 86 97.035 4.091 -8.474 660 2HE2 GLN 86 HE21 GLN 86 96.054 2.761 -8.082 661 H HIS 87 HN HIS 87 94.997 7.169 -4.363 662 HA HIS 87 HA HIS 87 97.946 7.066 -4.505 663 1HB HIS 87 2HB HIS 87 96.569 8.358 -6.171 664 2HB HIS 87 3HB HIS 87 96.115 9.454 -4.865 665 HD1 HIS 87 HD1 HIS 87 99.372 8.058 -6.329 666 HD2 HIS 87 HD2 HIS 87 97.862 11.554 -4.627 667 HE1 HIS 87 HE1 HIS 87 101.234 9.774 -6.440 668 H THR 88 HN THR 88 95.413 8.461 -2.464 669 HA THR 88 HA THR 88 97.415 9.755 -0.718 670 HB THR 88 HB THR 88 95.204 10.250 0.588 671 HG1 THR 88 HG1 THR 88 94.340 9.216 -1.878 672 1HG2 THR 88 HG22 THR 88 95.790 11.385 -2.154 673 2HG2 THR 88 HG21 THR 88 94.712 12.132 -0.977 674 3HG2 THR 88 HG23 THR 88 96.431 11.971 -0.618 675 H SER 89 HN SER 89 97.976 9.017 1.258 676 HA SER 89 HA SER 89 97.204 6.251 1.938 677 1HB SER 89 2HB SER 89 99.363 8.133 2.863 678 2HB SER 89 3HB SER 89 99.073 6.577 3.643 679 HG SER 89 HG SER 89 99.391 5.604 1.598 680 H LEU 90 HN LEU 90 96.104 5.707 3.795 681 HA LEU 90 HA LEU 90 94.347 7.621 4.942 682 1HB LEU 90 2HB LEU 90 95.222 4.887 5.885 683 2HB LEU 90 3HB LEU 90 93.954 5.825 6.677 684 HG LEU 90 HG LEU 90 93.708 5.550 3.732 685 1HD1 LEU 90 HD12 LEU 90 93.486 3.231 5.663 686 2HD1 LEU 90 HD11 LEU 90 92.550 3.277 4.168 687 3HD1 LEU 90 HD13 LEU 90 94.313 3.284 4.106 688 1HD2 LEU 90 HD22 LEU 90 91.795 5.274 6.078 689 2HD2 LEU 90 HD21 LEU 90 92.039 6.728 5.108 690 3HD2 LEU 90 HD23 LEU 90 91.328 5.290 4.378 691 H VAL 91 HN VAL 91 97.461 6.358 6.192 692 HA VAL 91 HA VAL 91 98.369 6.869 8.426 693 HB VAL 91 HB VAL 91 98.594 9.294 6.606 694 1HG1 VAL 91 HG12 VAL 91 99.109 9.706 9.073 695 2HG1 VAL 91 HG11 VAL 91 100.405 8.525 8.901 696 3HG1 VAL 91 HG13 VAL 91 100.440 10.015 7.958 697 1HG2 VAL 91 HG23 VAL 91 100.367 6.896 7.114 698 2HG2 VAL 91 HG22 VAL 91 99.479 7.245 5.634 699 3HG2 VAL 91 HG21 VAL 91 100.820 8.280 6.122 700 H GLN 92 HN GLN 92 97.183 10.103 7.568 701 HA GLN 92 HA GLN 92 95.618 11.485 8.652 702 1HB GLN 92 2HB GLN 92 94.606 8.929 9.078 703 2HB GLN 92 3HB GLN 92 94.736 9.602 10.703 704 1HG GLN 92 2HG GLN 92 92.581 10.258 9.923 705 2HG GLN 92 3HG GLN 92 93.593 11.692 9.773 706 1HE2 GLN 92 HE22 GLN 92 91.894 11.462 6.518 707 2HE2 GLN 92 HE21 GLN 92 91.500 11.869 8.120 708 H HIS 93 HN HIS 93 95.053 12.015 11.175 709 HA HIS 93 HA HIS 93 97.486 12.924 12.336 710 1HB HIS 93 2HB HIS 93 94.704 12.564 13.468 711 2HB HIS 93 3HB HIS 93 96.024 13.276 14.401 712 HD1 HIS 93 HD1 HIS 93 97.195 15.432 13.257 713 HD2 HIS 93 HD2 HIS 93 93.478 14.351 11.704 714 HE1 HIS 93 HE1 HIS 93 96.381 17.409 11.905 715 H ASN 94 HN ASN 94 95.539 10.016 12.973 716 HA ASN 94 HA ASN 94 96.868 9.084 15.275 717 1HB ASN 94 2HB ASN 94 94.879 8.003 14.115 718 2HB ASN 94 3HB ASN 94 96.019 7.318 12.955 719 1HD2 ASN 94 HD22 ASN 94 97.239 6.076 16.581 720 2HD2 ASN 94 HD21 ASN 94 97.417 7.678 16.052 721 H ASP 95 HN ASP 95 97.913 9.362 11.997 722 HA ASP 95 HA ASP 95 99.978 9.036 10.975 723 1HB ASP 95 2HB ASP 95 100.836 9.000 13.878 724 2HB ASP 95 3HB ASP 95 101.970 8.948 12.530 725 H SER 96 HN SER 96 98.267 6.622 11.963 726 HA SER 96 HA SER 96 100.482 4.685 11.527 727 1HB SER 96 2HB SER 96 98.169 4.281 13.437 728 2HB SER 96 3HB SER 96 99.442 3.113 13.094 729 HG SER 96 HG SER 96 100.028 4.239 14.921 730 H LEU 97 HN LEU 97 97.894 5.908 10.095 731 HA LEU 97 HA LEU 97 96.848 3.290 9.138 732 1HB LEU 97 2HB LEU 97 95.906 6.122 8.552 733 2HB LEU 97 3HB LEU 97 95.085 4.633 8.074 734 HG LEU 97 HG LEU 97 95.672 5.432 10.940 735 1HD1 LEU 97 HD13 LEU 97 93.879 6.717 9.464 736 2HD1 LEU 97 HD12 LEU 97 92.912 5.277 9.783 737 3HD1 LEU 97 HD11 LEU 97 93.510 6.253 11.127 738 1HD2 LEU 97 HD21 LEU 97 94.742 2.989 9.611 739 2HD2 LEU 97 HD23 LEU 97 95.324 3.213 11.260 740 3HD2 LEU 97 HD22 LEU 97 93.637 3.541 10.870 741 H ASN 98 HN ASN 98 99.407 3.555 8.377 742 HA ASN 98 HA ASN 98 99.672 5.070 5.908 743 1HB ASN 98 2HB ASN 98 101.594 4.565 7.428 744 2HB ASN 98 3HB ASN 98 101.449 2.862 6.984 745 1HD2 ASN 98 HD22 ASN 98 102.558 5.469 3.992 746 2HD2 ASN 98 HD21 ASN 98 101.425 5.976 5.150 747 H VAL 99 HN VAL 99 97.755 4.128 4.847 748 HA VAL 99 HA VAL 99 98.556 1.851 3.172 749 HB VAL 99 HB VAL 99 96.140 1.729 4.989 750 1HG1 VAL 99 HG12 VAL 99 95.512 1.038 2.701 751 2HG1 VAL 99 HG11 VAL 99 96.873 -0.085 2.671 752 3HG1 VAL 99 HG13 VAL 99 95.541 -0.342 3.799 753 1HG2 VAL 99 HG23 VAL 99 98.547 -0.060 4.569 754 2HG2 VAL 99 HG22 VAL 99 98.193 0.906 6.000 755 3HG2 VAL 99 HG21 VAL 99 97.166 -0.463 5.582 756 H THR 100 HN THR 100 97.419 1.792 1.237 757 HA THR 100 HA THR 100 95.526 4.063 0.769 758 HB THR 100 HB THR 100 96.418 4.255 -1.484 759 HG1 THR 100 HG1 THR 100 97.047 2.336 -2.143 760 1HG2 THR 100 HG21 THR 100 98.055 4.579 0.883 761 2HG2 THR 100 HG23 THR 100 99.053 4.257 -0.534 762 3HG2 THR 100 HG22 THR 100 97.933 5.621 -0.538 763 H LEU 101 HN LEU 101 93.807 3.581 -0.770 764 HA LEU 101 HA LEU 101 93.039 0.741 -0.697 765 1HB LEU 101 2HB LEU 101 91.643 3.093 -2.017 766 2HB LEU 101 3HB LEU 101 90.950 1.504 -1.719 767 HG LEU 101 HG LEU 101 91.948 3.379 0.436 768 1HD1 LEU 101 HD11 LEU 101 89.593 3.530 -1.070 769 2HD1 LEU 101 HD13 LEU 101 89.108 2.764 0.443 770 3HD1 LEU 101 HD12 LEU 101 89.911 4.334 0.466 771 1HD2 LEU 101 HD23 LEU 101 91.300 0.566 0.444 772 2HD2 LEU 101 HD22 LEU 101 91.858 1.570 1.777 773 3HD2 LEU 101 HD21 LEU 101 90.134 1.438 1.433 774 H ALA 102 HN ALA 102 95.064 0.261 -1.990 775 HA ALA 102 HA ALA 102 94.679 0.801 -4.885 776 1HB ALA 102 HB1 ALA 102 96.908 1.109 -3.313 777 2HB ALA 102 HB3 ALA 102 97.193 -0.460 -4.066 778 3HB ALA 102 HB2 ALA 102 96.927 0.963 -5.072 779 H TYR 103 HN TYR 103 94.560 -1.810 -2.594 780 HA TYR 103 HA TYR 103 94.743 -3.715 -4.889 781 1HB TYR 103 2HB TYR 103 95.149 -4.125 -1.922 782 2HB TYR 103 3HB TYR 103 95.060 -5.454 -3.077 783 HD1 TYR 103 HD1 TYR 103 96.783 -5.668 -4.861 784 HD2 TYR 103 HD2 TYR 103 97.089 -2.711 -1.763 785 HE1 TYR 103 HE1 TYR 103 99.177 -5.349 -5.406 786 HE2 TYR 103 HE2 TYR 103 99.490 -2.389 -2.307 787 HH TYR 103 HH TYR 103 101.084 -2.798 -3.921 788 HA PRO 104 HA PRO 104 90.295 -4.144 -4.193 789 1HB PRO 104 2HB PRO 104 89.834 -5.862 -6.256 790 2HB PRO 104 3HB PRO 104 90.071 -4.123 -6.496 791 1HG PRO 104 2HG PRO 104 91.932 -6.370 -6.987 792 2HG PRO 104 3HG PRO 104 91.748 -4.838 -7.855 793 1HD PRO 104 2HD PRO 104 93.756 -5.374 -6.006 794 2HD PRO 104 3HD PRO 104 93.237 -3.750 -6.503 795 H VAL 105 HN VAL 105 89.052 -5.789 -3.121 796 HA VAL 105 HA VAL 105 90.558 -8.022 -2.042 797 HB VAL 105 HB VAL 105 88.683 -6.886 -0.829 798 1HG1 VAL 105 HG13 VAL 105 87.297 -7.593 -3.259 799 2HG1 VAL 105 HG12 VAL 105 86.489 -8.320 -1.878 800 3HG1 VAL 105 HG11 VAL 105 86.747 -6.582 -1.930 801 1HG2 VAL 105 HG23 VAL 105 88.969 -9.814 -1.250 802 2HG2 VAL 105 HG22 VAL 105 89.056 -8.884 0.241 803 3HG2 VAL 105 HG21 VAL 105 87.490 -9.310 -0.443 804 H TYR 106 HN TYR 106 88.598 -7.544 -4.855 805 HA TYR 106 HA TYR 106 88.842 -10.455 -5.461 806 1HB TYR 106 2HB TYR 106 86.484 -8.638 -6.019 807 2HB TYR 106 3HB TYR 106 86.680 -10.233 -6.734 808 HD1 TYR 106 HD1 TYR 106 87.105 -12.210 -5.054 809 HD2 TYR 106 HD2 TYR 106 85.394 -8.424 -3.952 810 HE1 TYR 106 HE1 TYR 106 86.113 -13.241 -3.031 811 HE2 TYR 106 HE2 TYR 106 84.404 -9.465 -1.931 812 HH TYR 106 HH TYR 106 84.514 -12.930 -1.401 813 H ALA 107 HN ALA 107 90.881 -9.237 -6.406 814 HA ALA 107 HA ALA 107 90.668 -7.601 -8.717 815 1HB ALA 107 HB3 ALA 107 92.746 -8.642 -7.289 816 2HB ALA 107 HB2 ALA 107 92.835 -9.621 -8.753 817 3HB ALA 107 HB1 ALA 107 92.934 -7.861 -8.859 818 H GLN 108 HN GLN 108 90.624 -11.130 -8.368 819 HA GLN 108 HA GLN 108 89.129 -11.357 -10.880 820 1HB GLN 108 2HB GLN 108 91.575 -11.338 -11.552 821 2HB GLN 108 3HB GLN 108 91.778 -12.811 -10.610 822 1HG GLN 108 2HG GLN 108 90.090 -13.948 -11.998 823 2HG GLN 108 3HG GLN 108 89.850 -12.470 -12.928 824 1HE2 GLN 108 HE22 GLN 108 93.498 -12.823 -13.982 825 2HE2 GLN 108 HE21 GLN 108 92.731 -11.732 -12.930 826 H GLN 109 HN GLN 109 88.057 -11.909 -8.540 827 HA GLN 109 HA GLN 109 87.032 -13.593 -7.269 828 1HB GLN 109 2HB GLN 109 87.922 -15.267 -9.633 829 2HB GLN 109 3HB GLN 109 86.808 -15.810 -8.378 830 1HG GLN 109 2HG GLN 109 85.291 -13.927 -8.940 831 2HG GLN 109 3HG GLN 109 86.386 -13.453 -10.240 832 1HE2 GLN 109 HE22 GLN 109 85.588 -16.346 -12.264 833 2HE2 GLN 109 HE21 GLN 109 86.880 -15.317 -11.870 834 H ARG 110 HN ARG 110 89.905 -13.007 -6.833 835 HA ARG 110 HA ARG 110 91.309 -15.491 -6.408 836 1HB ARG 110 2HB ARG 110 92.352 -13.186 -6.572 837 2HB ARG 110 3HB ARG 110 91.752 -12.878 -4.943 838 1HG ARG 110 2HG ARG 110 93.011 -14.781 -4.081 839 2HG ARG 110 3HG ARG 110 93.568 -15.178 -5.704 840 1HD ARG 110 2HD ARG 110 94.611 -12.902 -5.833 841 2HD ARG 110 3HD ARG 110 94.197 -12.651 -4.142 842 HE ARG 110 HE ARG 110 96.493 -14.025 -5.102 843 1HH1 ARG 110 HH21 ARG 110 93.922 -14.506 -2.836 844 2HH1 ARG 110 HH22 ARG 110 94.778 -15.715 -1.946 845 1HH2 ARG 110 HH11 ARG 110 97.614 -15.548 -3.927 846 2HH2 ARG 110 HH12 ARG 110 96.876 -16.290 -2.546 847 H ARG 111 HN ARG 111 91.475 -16.733 -4.494 848 HA ARG 111 HA ARG 111 89.184 -16.595 -2.710 849 1HB ARG 111 2HB ARG 111 91.715 -18.261 -2.574 850 2HB ARG 111 3HB ARG 111 90.316 -18.468 -1.517 851 1HG ARG 111 2HG ARG 111 88.892 -18.855 -3.518 852 2HG ARG 111 3HG ARG 111 90.332 -18.746 -4.533 853 1HD ARG 111 2HD ARG 111 91.039 -20.564 -2.538 854 2HD ARG 111 3HD ARG 111 89.367 -20.977 -2.917 855 HE ARG 111 HE ARG 111 91.532 -21.735 -4.504 856 1HH1 ARG 111 HH21 ARG 111 88.751 -19.734 -4.907 857 2HH1 ARG 111 HH22 ARG 111 88.623 -20.029 -6.607 858 1HH2 ARG 111 HH11 ARG 111 91.373 -22.142 -6.717 859 2HH2 ARG 111 HH12 ARG 111 90.105 -21.397 -7.629 No H/Q in entry = 859 Start of MODEL 29 1 1H GLU 1 HT1 GLU 1 95.327 -3.249 -20.117 2 2H GLU 1 HT3 GLU 1 96.466 -3.104 -18.867 3 3H GLU 1 HT2 GLU 1 96.479 -4.470 -19.871 4 HA GLU 1 HA GLU 1 94.357 -5.191 -19.010 5 1HB GLU 1 2HB GLU 1 96.357 -4.426 -16.857 6 2HB GLU 1 3HB GLU 1 95.077 -5.630 -16.674 7 1HG GLU 1 2HG GLU 1 96.037 -6.995 -18.446 8 2HG GLU 1 3HG GLU 1 97.250 -5.759 -18.782 9 H ASP 2 HN ASP 2 92.382 -4.444 -18.345 10 HA ASP 2 HA ASP 2 92.026 -1.682 -17.600 11 1HB ASP 2 2HB ASP 2 90.198 -4.094 -17.541 12 2HB ASP 2 3HB ASP 2 89.665 -2.501 -16.996 13 H LEU 3 HN LEU 3 91.571 -0.802 -15.529 14 HA LEU 3 HA LEU 3 92.759 -2.303 -13.312 15 1HB LEU 3 2HB LEU 3 91.498 0.458 -13.415 16 2HB LEU 3 3HB LEU 3 92.315 -0.221 -12.005 17 HG LEU 3 HG LEU 3 93.595 0.174 -14.722 18 1HD1 LEU 3 HD13 LEU 3 93.275 1.914 -12.364 19 2HD1 LEU 3 HD12 LEU 3 94.939 1.763 -12.932 20 3HD1 LEU 3 HD11 LEU 3 93.683 2.337 -14.028 21 1HD2 LEU 3 HD21 LEU 3 94.356 -1.204 -12.226 22 2HD2 LEU 3 HD23 LEU 3 94.964 -1.431 -13.868 23 3HD2 LEU 3 HD22 LEU 3 95.590 -0.118 -12.867 24 HA PRO 4 HA PRO 4 88.953 -4.025 -11.925 25 1HB PRO 4 2HB PRO 4 89.560 -4.295 -9.243 26 2HB PRO 4 3HB PRO 4 90.084 -5.417 -10.511 27 1HG PRO 4 2HG PRO 4 91.594 -3.265 -9.144 28 2HG PRO 4 3HG PRO 4 92.148 -4.836 -9.750 29 1HD PRO 4 2HD PRO 4 92.621 -2.464 -11.047 30 2HD PRO 4 3HD PRO 4 92.518 -4.033 -11.878 31 H HIS 5 HN HIS 5 90.092 -1.007 -10.970 32 HA HIS 5 HA HIS 5 88.171 -0.290 -8.969 33 1HB HIS 5 2HB HIS 5 89.683 1.397 -10.977 34 2HB HIS 5 3HB HIS 5 88.757 2.051 -9.633 35 HD1 HIS 5 HD1 HIS 5 89.504 0.599 -7.231 36 HD2 HIS 5 HD2 HIS 5 92.328 1.192 -10.240 37 HE1 HIS 5 HE1 HIS 5 91.777 0.350 -6.141 38 H HIS 6 HN HIS 6 88.004 -0.495 -12.465 39 HA HIS 6 HA HIS 6 85.744 1.214 -12.849 40 1HB HIS 6 2HB HIS 6 86.742 -1.173 -14.425 41 2HB HIS 6 3HB HIS 6 85.399 -0.160 -14.952 42 HD1 HIS 6 HD1 HIS 6 86.069 2.555 -14.963 43 HD2 HIS 6 HD2 HIS 6 89.178 -0.202 -15.316 44 HE1 HIS 6 HE1 HIS 6 88.064 3.833 -15.858 45 H ASP 7 HN ASP 7 86.006 -2.119 -11.758 46 HA ASP 7 HA ASP 7 83.046 -2.335 -11.796 47 1HB ASP 7 2HB ASP 7 85.236 -4.396 -11.523 48 2HB ASP 7 3HB ASP 7 83.527 -4.775 -11.316 49 H GLU 8 HN GLU 8 81.932 -2.295 -9.922 50 HA GLU 8 HA GLU 8 83.219 -1.661 -7.417 51 1HB GLU 8 2HB GLU 8 80.390 -2.465 -8.130 52 2HB GLU 8 3HB GLU 8 80.881 -1.951 -6.514 53 1HG GLU 8 2HG GLU 8 81.435 0.237 -7.264 54 2HG GLU 8 3HG GLU 8 81.395 -0.249 -8.959 55 H LYS 9 HN LYS 9 82.286 -4.607 -8.980 56 HA LYS 9 HA LYS 9 81.971 -6.322 -6.740 57 1HB LYS 9 2HB LYS 9 82.198 -8.109 -8.271 58 2HB LYS 9 3HB LYS 9 81.558 -6.787 -9.251 59 1HG LYS 9 2HG LYS 9 84.070 -6.188 -9.634 60 2HG LYS 9 3HG LYS 9 84.369 -7.848 -9.126 61 1HD LYS 9 2HD LYS 9 82.980 -8.709 -10.914 62 2HD LYS 9 3HD LYS 9 82.474 -7.074 -11.357 63 1HE LYS 9 2HE LYS 9 84.881 -6.519 -11.800 64 2HE LYS 9 3HE LYS 9 85.278 -8.217 -11.530 65 1HZ LYS 9 HZ2 LYS 9 83.463 -8.637 -13.281 66 2HZ LYS 9 HZ1 LYS 9 83.696 -7.006 -13.703 67 3HZ LYS 9 HZ3 LYS 9 84.989 -8.096 -13.806 68 H THR 10 HN THR 10 84.928 -5.158 -8.322 69 HA THR 10 HA THR 10 86.613 -7.125 -7.056 70 HB THR 10 HB THR 10 88.488 -5.635 -7.741 71 HG1 THR 10 HG1 THR 10 86.707 -4.016 -9.111 72 1HG2 THR 10 HG23 THR 10 86.367 -6.659 -9.528 73 2HG2 THR 10 HG22 THR 10 87.535 -5.559 -10.266 74 3HG2 THR 10 HG21 THR 10 88.092 -7.038 -9.484 75 H TRP 11 HN TRP 11 85.290 -4.096 -5.933 76 HA TRP 11 HA TRP 11 86.878 -4.480 -3.432 77 1HB TRP 11 2HB TRP 11 86.239 -1.834 -3.305 78 2HB TRP 11 3HB TRP 11 87.762 -2.451 -3.948 79 HD1 TRP 11 HD1 TRP 11 87.716 -3.011 -6.627 80 HE1 TRP 11 HE1 TRP 11 86.642 -1.690 -8.562 81 HE3 TRP 11 HE3 TRP 11 84.448 -0.179 -3.973 82 HZ2 TRP 11 HZ2 TRP 11 84.642 0.387 -8.901 83 HZ3 TRP 11 HZ3 TRP 11 82.986 1.470 -5.101 84 HH2 TRP 11 HH2 TRP 11 83.083 1.753 -7.558 85 H ASN 12 HN ASN 12 83.766 -3.707 -4.861 86 HA ASN 12 HA ASN 12 82.522 -3.241 -2.237 87 1HB ASN 12 2HB ASN 12 81.825 -2.080 -4.379 88 2HB ASN 12 3HB ASN 12 81.151 -3.620 -4.901 89 1HD2 ASN 12 HD22 ASN 12 78.600 -1.519 -2.999 90 2HD2 ASN 12 HD21 ASN 12 79.683 -1.102 -4.238 91 H VAL 13 HN VAL 13 81.779 -4.855 -0.985 92 HA VAL 13 HA VAL 13 81.343 -7.540 -2.211 93 HB VAL 13 HB VAL 13 82.881 -7.267 -0.212 94 1HG1 VAL 13 HG11 VAL 13 80.965 -5.593 0.716 95 2HG1 VAL 13 HG13 VAL 13 80.476 -7.080 1.530 96 3HG1 VAL 13 HG12 VAL 13 82.096 -6.426 1.782 97 1HG2 VAL 13 HG21 VAL 13 81.210 -9.298 -0.863 98 2HG2 VAL 13 HG23 VAL 13 82.290 -9.365 0.531 99 3HG2 VAL 13 HG22 VAL 13 80.604 -8.917 0.750 100 H GLY 14 HN GLY 14 79.587 -4.841 -1.505 101 1HA GLY 14 2HA GLY 14 77.274 -4.478 -1.328 102 2HA GLY 14 3HA GLY 14 77.052 -6.188 -1.696 103 H SER 15 HN SER 15 75.388 -6.329 -0.066 104 HA SER 15 HA SER 15 75.891 -5.670 2.705 105 1HB SER 15 2HB SER 15 73.869 -6.997 3.156 106 2HB SER 15 3HB SER 15 73.599 -5.936 1.775 107 HG SER 15 HG SER 15 74.268 -7.823 0.481 108 H SER 16 HN SER 16 76.489 -7.120 4.396 109 HA SER 16 HA SER 16 76.972 -9.921 4.004 110 1HB SER 16 2HB SER 16 78.812 -9.084 2.567 111 2HB SER 16 3HB SER 16 79.417 -8.123 3.905 112 HG SER 16 HG SER 16 79.074 -10.643 4.723 113 H ASN 17 HN ASN 17 77.879 -10.876 5.976 114 HA ASN 17 HA ASN 17 77.248 -9.282 8.333 115 1HB ASN 17 2HB ASN 17 76.760 -11.723 8.152 116 2HB ASN 17 3HB ASN 17 78.491 -12.031 8.171 117 1HD2 ASN 17 HD22 ASN 17 77.865 -12.312 11.695 118 2HD2 ASN 17 HD21 ASN 17 77.973 -13.220 10.269 119 H ARG 18 HN ARG 18 78.706 -8.409 9.804 120 HA ARG 18 HA ARG 18 81.278 -7.648 8.874 121 1HB ARG 18 2HB ARG 18 80.077 -7.686 11.643 122 2HB ARG 18 3HB ARG 18 81.684 -7.040 11.310 123 1HG ARG 18 2HG ARG 18 80.716 -5.480 9.663 124 2HG ARG 18 3HG ARG 18 79.106 -6.094 10.024 125 1HD ARG 18 2HD ARG 18 79.448 -5.467 12.410 126 2HD ARG 18 3HD ARG 18 80.992 -4.740 11.980 127 HE ARG 18 HE ARG 18 78.437 -3.495 11.765 128 1HH1 ARG 18 HH21 ARG 18 81.283 -4.011 9.894 129 2HH1 ARG 18 HH22 ARG 18 80.957 -2.708 8.812 130 1HH2 ARG 18 HH11 ARG 18 77.992 -1.816 10.371 131 2HH2 ARG 18 HH12 ARG 18 79.083 -1.469 9.066 132 H ASN 19 HN ASN 19 80.302 -10.420 10.853 133 HA ASN 19 HA ASN 19 82.911 -11.182 11.711 134 1HB ASN 19 2HB ASN 19 81.960 -13.437 11.952 135 2HB ASN 19 3HB ASN 19 80.831 -12.226 12.558 136 1HD2 ASN 19 HD22 ASN 19 78.973 -14.547 10.270 137 2HD2 ASN 19 HD21 ASN 19 79.847 -14.745 11.705 138 H LYS 20 HN LYS 20 81.109 -11.860 8.727 139 HA LYS 20 HA LYS 20 83.054 -13.619 7.588 140 1HB LYS 20 2HB LYS 20 80.708 -13.309 6.722 141 2HB LYS 20 3HB LYS 20 81.210 -11.736 6.097 142 1HG LYS 20 2HG LYS 20 82.954 -12.822 4.742 143 2HG LYS 20 3HG LYS 20 82.459 -14.397 5.361 144 1HD LYS 20 2HD LYS 20 80.205 -14.060 4.415 145 2HD LYS 20 3HD LYS 20 80.710 -12.493 3.774 146 1HE LYS 20 2HE LYS 20 80.848 -14.202 2.019 147 2HE LYS 20 3HE LYS 20 82.464 -13.633 2.436 148 1HZ LYS 20 HZ2 LYS 20 81.869 -15.709 4.170 149 2HZ LYS 20 HZ1 LYS 20 81.415 -16.240 2.622 150 3HZ LYS 20 HZ3 LYS 20 83.001 -15.714 2.903 151 H ALA 21 HN ALA 21 82.602 -10.101 7.475 152 HA ALA 21 HA ALA 21 84.688 -9.534 5.626 153 1HB ALA 21 HB2 ALA 21 83.592 -7.901 7.930 154 2HB ALA 21 HB1 ALA 21 84.735 -7.274 6.735 155 3HB ALA 21 HB3 ALA 21 83.124 -7.793 6.233 156 H GLU 22 HN GLU 22 84.726 -10.104 9.120 157 HA GLU 22 HA GLU 22 87.403 -9.294 9.631 158 1HB GLU 22 2HB GLU 22 85.653 -11.410 10.915 159 2HB GLU 22 3HB GLU 22 87.247 -10.976 11.537 160 1HG GLU 22 2HG GLU 22 86.563 -8.674 11.858 161 2HG GLU 22 3HG GLU 22 85.014 -8.981 11.067 162 H ASN 23 HN ASN 23 86.124 -12.538 8.727 163 HA ASN 23 HA ASN 23 88.659 -13.850 8.593 164 1HB ASN 23 2HB ASN 23 87.544 -15.580 7.398 165 2HB ASN 23 3HB ASN 23 86.302 -14.897 8.455 166 1HD2 ASN 23 HD22 ASN 23 84.236 -14.185 5.706 167 2HD2 ASN 23 HD21 ASN 23 84.368 -14.669 7.330 168 H LEU 24 HN LEU 24 86.802 -11.966 6.241 169 HA LEU 24 HA LEU 24 88.651 -12.325 4.050 170 1HB LEU 24 2HB LEU 24 86.636 -10.139 4.660 171 2HB LEU 24 3HB LEU 24 87.531 -10.252 3.150 172 HG LEU 24 HG LEU 24 85.706 -12.399 4.261 173 1HD1 LEU 24 HD13 LEU 24 84.709 -10.189 3.345 174 2HD1 LEU 24 HD12 LEU 24 85.258 -10.764 1.770 175 3HD1 LEU 24 HD11 LEU 24 84.086 -11.706 2.698 176 1HD2 LEU 24 HD23 LEU 24 87.570 -12.221 1.920 177 2HD2 LEU 24 HD22 LEU 24 87.195 -13.606 2.948 178 3HD2 LEU 24 HD21 LEU 24 86.052 -13.095 1.708 179 H LEU 25 HN LEU 25 88.489 -10.178 6.826 180 HA LEU 25 HA LEU 25 90.764 -8.567 5.808 181 1HB LEU 25 2HB LEU 25 89.106 -8.395 8.337 182 2HB LEU 25 3HB LEU 25 90.407 -7.271 7.917 183 HG LEU 25 HG LEU 25 88.192 -7.762 5.938 184 1HD1 LEU 25 HD11 LEU 25 87.282 -7.199 8.311 185 2HD1 LEU 25 HD13 LEU 25 88.010 -5.609 8.046 186 3HD1 LEU 25 HD12 LEU 25 86.751 -6.191 6.959 187 1HD2 LEU 25 HD22 LEU 25 90.051 -5.473 6.649 188 2HD2 LEU 25 HD21 LEU 25 90.016 -6.406 5.152 189 3HD2 LEU 25 HD23 LEU 25 88.696 -5.297 5.529 190 H ARG 26 HN ARG 26 90.292 -11.420 7.545 191 HA ARG 26 HA ARG 26 92.712 -11.060 9.212 192 1HB ARG 26 2HB ARG 26 91.391 -12.228 10.627 193 2HB ARG 26 3HB ARG 26 90.277 -12.668 9.333 194 1HG ARG 26 2HG ARG 26 91.701 -14.498 8.656 195 2HG ARG 26 3HG ARG 26 92.938 -14.015 9.814 196 1HD ARG 26 2HD ARG 26 90.123 -14.729 10.651 197 2HD ARG 26 3HD ARG 26 91.420 -15.916 10.577 198 HE ARG 26 HE ARG 26 92.447 -13.796 12.095 199 1HH1 ARG 26 HH21 ARG 26 89.687 -15.854 12.184 200 2HH1 ARG 26 HH22 ARG 26 89.592 -15.879 13.915 201 1HH2 ARG 26 HH11 ARG 26 92.334 -13.804 14.366 202 2HH2 ARG 26 HH12 ARG 26 91.093 -14.722 15.148 203 H GLY 27 HN GLY 27 94.635 -11.894 8.589 204 1HA GLY 27 2HA GLY 27 96.173 -13.338 7.528 205 2HA GLY 27 3HA GLY 27 94.813 -14.291 6.922 206 H LYS 28 HN LYS 28 94.582 -10.922 6.405 207 HA LYS 28 HA LYS 28 95.266 -11.347 3.533 208 1HB LYS 28 2HB LYS 28 92.899 -10.748 4.032 209 2HB LYS 28 3HB LYS 28 93.466 -9.250 4.762 210 1HG LYS 28 2HG LYS 28 92.994 -8.550 2.588 211 2HG LYS 28 3HG LYS 28 94.712 -8.936 2.462 212 1HD LYS 28 2HD LYS 28 93.655 -9.983 0.578 213 2HD LYS 28 3HD LYS 28 94.008 -11.274 1.733 214 1HE LYS 28 2HE LYS 28 91.452 -10.233 2.419 215 2HE LYS 28 3HE LYS 28 91.458 -10.475 0.667 216 1HZ LYS 28 HZ3 LYS 28 92.654 -12.703 1.465 217 2HZ LYS 28 HZ2 LYS 28 91.672 -12.426 2.820 218 3HZ LYS 28 HZ1 LYS 28 90.974 -12.579 1.280 219 H ARG 29 HN ARG 29 96.843 -10.139 2.662 220 HA ARG 29 HA ARG 29 98.710 -8.679 4.224 221 1HB ARG 29 2HB ARG 29 99.707 -8.033 2.092 222 2HB ARG 29 3HB ARG 29 99.191 -9.717 2.006 223 1HG ARG 29 2HG ARG 29 97.060 -8.965 0.930 224 2HG ARG 29 3HG ARG 29 97.689 -7.320 0.922 225 1HD ARG 29 2HD ARG 29 99.534 -9.317 -0.225 226 2HD ARG 29 3HD ARG 29 98.032 -9.107 -1.132 227 HE ARG 29 HE ARG 29 98.900 -6.515 -0.607 228 1HH1 ARG 29 HH21 ARG 29 100.158 -9.354 -2.128 229 2HH1 ARG 29 HH22 ARG 29 101.219 -8.473 -3.173 230 1HH2 ARG 29 HH11 ARG 29 100.256 -5.368 -1.986 231 2HH2 ARG 29 HH12 ARG 29 101.264 -6.224 -3.103 232 H ASP 30 HN ASP 30 99.235 -6.420 4.152 233 HA ASP 30 HA ASP 30 97.026 -4.625 4.540 234 1HB ASP 30 2HB ASP 30 99.968 -4.104 4.018 235 2HB ASP 30 3HB ASP 30 98.817 -2.874 4.529 236 H GLY 31 HN GLY 31 96.324 -2.857 3.132 237 1HA GLY 31 2HA GLY 31 96.398 -1.631 1.030 238 2HA GLY 31 3HA GLY 31 97.341 -2.937 0.326 239 H THR 32 HN THR 32 95.354 -4.874 1.623 240 HA THR 32 HA THR 32 93.505 -4.907 -0.658 241 HB THR 32 HB THR 32 93.674 -6.710 1.759 242 HG1 THR 32 HG1 THR 32 95.484 -7.181 0.772 243 1HG2 THR 32 HG23 THR 32 91.927 -6.602 -0.606 244 2HG2 THR 32 HG22 THR 32 92.651 -8.186 -0.310 245 3HG2 THR 32 HG21 THR 32 91.678 -7.405 0.944 246 H PHE 33 HN PHE 33 91.563 -3.817 -0.565 247 HA PHE 33 HA PHE 33 90.237 -3.658 2.085 248 1HB PHE 33 2HB PHE 33 90.137 -1.392 2.153 249 2HB PHE 33 3HB PHE 33 91.548 -1.478 1.098 250 HD1 PHE 33 HD1 PHE 33 90.985 -1.602 -1.519 251 HD2 PHE 33 HD2 PHE 33 88.261 -0.255 1.516 252 HE1 PHE 33 HE1 PHE 33 89.622 -0.412 -3.222 253 HE2 PHE 33 HE2 PHE 33 86.933 0.924 -0.216 254 HZ PHE 33 HZ PHE 33 87.611 0.831 -2.567 255 H LEU 34 HN LEU 34 87.934 -3.075 1.901 256 HA LEU 34 HA LEU 34 86.784 -3.644 -0.785 257 1HB LEU 34 2HB LEU 34 85.194 -5.253 0.197 258 2HB LEU 34 3HB LEU 34 86.851 -5.787 0.412 259 HG LEU 34 HG LEU 34 86.003 -4.101 2.626 260 1HD1 LEU 34 HD12 LEU 34 84.369 -6.556 1.938 261 2HD1 LEU 34 HD11 LEU 34 84.464 -5.902 3.570 262 3HD1 LEU 34 HD13 LEU 34 83.777 -4.930 2.266 263 1HD2 LEU 34 HD22 LEU 34 87.962 -5.653 2.571 264 2HD2 LEU 34 HD21 LEU 34 86.871 -6.000 3.914 265 3HD2 LEU 34 HD23 LEU 34 86.849 -7.014 2.471 266 H VAL 35 HN VAL 35 84.726 -2.715 -1.119 267 HA VAL 35 HA VAL 35 84.036 -0.618 0.847 268 HB VAL 35 HB VAL 35 83.130 -1.146 -2.004 269 1HG1 VAL 35 HG13 VAL 35 81.239 -0.276 -0.668 270 2HG1 VAL 35 HG12 VAL 35 82.254 1.048 -0.100 271 3HG1 VAL 35 HG11 VAL 35 81.824 0.935 -1.811 272 1HG2 VAL 35 HG22 VAL 35 84.779 1.009 -0.654 273 2HG2 VAL 35 HG21 VAL 35 85.301 -0.103 -1.915 274 3HG2 VAL 35 HG23 VAL 35 84.142 1.173 -2.284 275 H ARG 36 HN ARG 36 82.250 -0.818 2.153 276 HA ARG 36 HA ARG 36 80.207 -2.874 1.477 277 1HB ARG 36 2HB ARG 36 81.800 -4.027 2.942 278 2HB ARG 36 3HB ARG 36 81.717 -2.709 4.109 279 1HG ARG 36 2HG ARG 36 79.566 -3.276 4.801 280 2HG ARG 36 3HG ARG 36 79.196 -4.122 3.294 281 1HD ARG 36 2HD ARG 36 80.098 -6.065 4.037 282 2HD ARG 36 3HD ARG 36 81.466 -5.252 4.788 283 HE ARG 36 HE ARG 36 79.320 -4.619 6.431 284 1HH1 ARG 36 HH21 ARG 36 80.782 -7.506 5.199 285 2HH1 ARG 36 HH22 ARG 36 80.313 -8.468 6.560 286 1HH2 ARG 36 HH11 ARG 36 78.702 -5.871 8.187 287 2HH2 ARG 36 HH12 ARG 36 79.114 -7.547 8.228 288 H GLU 37 HN GLU 37 78.545 -2.655 3.652 289 HA GLU 37 HA GLU 37 77.902 0.242 3.635 290 1HB GLU 37 2HB GLU 37 75.870 -1.541 4.715 291 2HB GLU 37 3HB GLU 37 75.742 -0.386 3.385 292 1HG GLU 37 2HG GLU 37 76.996 -3.140 3.170 293 2HG GLU 37 3HG GLU 37 75.365 -2.733 2.639 294 H SER 38 HN SER 38 76.797 0.960 5.728 295 HA SER 38 HA SER 38 78.508 0.167 7.972 296 1HB SER 38 2HB SER 38 76.024 1.919 8.008 297 2HB SER 38 3HB SER 38 77.266 1.821 9.254 298 HG SER 38 HG SER 38 78.661 2.375 7.250 299 H SER 39 HN SER 39 76.514 -1.476 6.412 300 HA SER 39 HA SER 39 75.595 -3.558 7.125 301 1HB SER 39 2HB SER 39 74.601 -2.145 9.617 302 2HB SER 39 3HB SER 39 74.717 -3.875 9.327 303 HG SER 39 HG SER 39 76.455 -3.200 10.595 304 H LYS 40 HN LYS 40 74.196 -0.357 7.395 305 HA LYS 40 HA LYS 40 71.469 -1.303 6.793 306 1HB LYS 40 2HB LYS 40 72.583 1.518 6.920 307 2HB LYS 40 3HB LYS 40 70.878 1.079 6.846 308 1HG LYS 40 2HG LYS 40 72.729 0.134 9.046 309 2HG LYS 40 3HG LYS 40 71.759 1.603 9.172 310 1HD LYS 40 2HD LYS 40 69.731 0.138 8.618 311 2HD LYS 40 3HD LYS 40 70.785 -1.249 8.906 312 1HE LYS 40 2HE LYS 40 71.307 -0.340 11.168 313 2HE LYS 40 3HE LYS 40 70.162 0.968 10.879 314 1HZ LYS 40 HZ1 LYS 40 68.717 -1.219 10.271 315 2HZ LYS 40 HZ3 LYS 40 69.671 -1.786 11.552 316 3HZ LYS 40 HZ2 LYS 40 68.688 -0.423 11.773 317 H GLN 41 HN GLN 41 70.446 -0.947 4.786 318 HA GLN 41 HA GLN 41 72.146 -1.114 2.483 319 1HB GLN 41 2HB GLN 41 69.868 -2.105 2.597 320 2HB GLN 41 3HB GLN 41 69.185 -0.472 2.579 321 1HG GLN 41 2HG GLN 41 70.101 -0.033 0.398 322 2HG GLN 41 3HG GLN 41 71.046 -1.515 0.433 323 1HE2 GLN 41 HE22 GLN 41 67.834 -3.467 0.191 324 2HE2 GLN 41 HE21 GLN 41 69.048 -3.352 1.373 325 H GLY 42 HN GLY 42 70.549 1.589 4.061 326 1HA GLY 42 2HA GLY 42 71.192 3.346 1.777 327 2HA GLY 42 3HA GLY 42 70.312 3.826 3.232 328 H CYS 43 HN CYS 43 73.133 2.054 3.948 329 HA CYS 43 HA CYS 43 74.610 4.609 4.460 330 1HB CYS 43 2HB CYS 43 74.625 2.050 6.095 331 2HB CYS 43 3HB CYS 43 75.680 3.435 6.383 332 HG CYS 43 HG CYS 43 73.561 4.865 6.954 333 H TYR 44 HN TYR 44 76.972 4.445 4.293 334 HA TYR 44 HA TYR 44 77.869 2.101 2.681 335 1HB TYR 44 2HB TYR 44 78.404 5.026 2.145 336 2HB TYR 44 3HB TYR 44 79.243 3.702 1.336 337 HD1 TYR 44 HD2 TYR 44 75.771 4.909 2.095 338 HD2 TYR 44 HD1 TYR 44 78.345 2.757 -0.585 339 HE1 TYR 44 HE2 TYR 44 73.888 4.632 0.505 340 HE2 TYR 44 HE1 TYR 44 76.464 2.481 -2.174 341 HH TYR 44 HH TYR 44 74.033 4.106 -2.443 342 H ALA 45 HN ALA 45 80.151 1.611 2.883 343 HA ALA 45 HA ALA 45 81.935 3.123 4.532 344 1HB ALA 45 HB2 ALA 45 80.322 0.941 5.836 345 2HB ALA 45 HB1 ALA 45 81.949 1.319 6.406 346 3HB ALA 45 HB3 ALA 45 80.693 2.553 6.446 347 H CYS 46 HN CYS 46 84.059 2.157 4.385 348 HA CYS 46 HA CYS 46 84.097 -0.477 2.992 349 1HB CYS 46 2HB CYS 46 85.991 0.310 1.632 350 2HB CYS 46 3HB CYS 46 84.635 1.430 1.467 351 HG CYS 46 HG CYS 46 87.270 2.038 2.948 352 H SER 47 HN SER 47 85.962 -1.775 3.427 353 HA SER 47 HA SER 47 87.293 -1.055 6.009 354 1HB SER 47 2HB SER 47 85.674 -2.897 6.255 355 2HB SER 47 3HB SER 47 86.506 -3.806 4.996 356 HG SER 47 HG SER 47 88.155 -2.884 6.983 357 H VAL 48 HN VAL 48 89.492 -1.293 6.139 358 HA VAL 48 HA VAL 48 90.855 -2.529 3.802 359 HB VAL 48 HB VAL 48 91.764 -0.560 3.204 360 1HG1 VAL 48 HG11 VAL 48 90.098 0.424 5.501 361 2HG1 VAL 48 HG13 VAL 48 91.195 1.525 4.674 362 3HG1 VAL 48 HG12 VAL 48 89.912 0.724 3.776 363 1HG2 VAL 48 HG23 VAL 48 92.752 -0.389 6.059 364 2HG2 VAL 48 HG22 VAL 48 93.613 -1.081 4.681 365 3HG2 VAL 48 HG21 VAL 48 93.291 0.650 4.742 366 H VAL 49 HN VAL 49 92.778 -3.593 4.275 367 HA VAL 49 HA VAL 49 93.108 -4.313 7.126 368 HB VAL 49 HB VAL 49 94.527 -5.391 4.690 369 1HG1 VAL 49 HG13 VAL 49 94.454 -6.066 7.593 370 2HG1 VAL 49 HG12 VAL 49 94.587 -7.395 6.431 371 3HG1 VAL 49 HG11 VAL 49 95.808 -6.116 6.459 372 1HG2 VAL 49 HG22 VAL 49 92.017 -5.673 4.643 373 2HG2 VAL 49 HG21 VAL 49 92.923 -7.181 4.661 374 3HG2 VAL 49 HG23 VAL 49 92.159 -6.596 6.142 375 H VAL 50 HN VAL 50 94.837 -3.599 8.345 376 HA VAL 50 HA VAL 50 96.969 -2.171 6.838 377 HB VAL 50 HB VAL 50 95.174 -1.137 8.794 378 1HG1 VAL 50 HG13 VAL 50 96.777 -2.023 10.498 379 2HG1 VAL 50 HG12 VAL 50 98.065 -1.088 9.736 380 3HG1 VAL 50 HG11 VAL 50 96.703 -0.263 10.495 381 1HG2 VAL 50 HG21 VAL 50 96.157 -0.026 6.783 382 2HG2 VAL 50 HG23 VAL 50 96.302 0.952 8.243 383 3HG2 VAL 50 HG22 VAL 50 97.700 0.069 7.628 384 H ASP 51 HN ASP 51 99.018 -2.023 8.002 385 HA ASP 51 HA ASP 51 100.020 -4.572 8.752 386 1HB ASP 51 2HB ASP 51 102.089 -3.388 9.189 387 2HB ASP 51 3HB ASP 51 101.319 -2.655 7.780 388 H GLY 52 HN GLY 52 97.894 -4.295 10.468 389 1HA GLY 52 2HA GLY 52 99.057 -4.802 12.999 390 2HA GLY 52 3HA GLY 52 98.507 -3.126 12.989 391 H GLU 53 HN GLU 53 96.165 -3.397 11.398 392 HA GLU 53 HA GLU 53 94.556 -5.549 12.597 393 1HB GLU 53 2HB GLU 53 94.321 -2.695 13.511 394 2HB GLU 53 3HB GLU 53 92.915 -3.754 13.527 395 1HG GLU 53 2HG GLU 53 95.527 -4.184 15.000 396 2HG GLU 53 3HG GLU 53 93.961 -3.826 15.705 397 H VAL 54 HN VAL 54 92.219 -5.374 11.928 398 HA VAL 54 HA VAL 54 92.034 -4.700 9.117 399 HB VAL 54 HB VAL 54 89.808 -5.559 9.285 400 1HG1 VAL 54 HG13 VAL 54 91.847 -7.106 9.757 401 2HG1 VAL 54 HG12 VAL 54 91.217 -7.145 11.402 402 3HG1 VAL 54 HG11 VAL 54 90.229 -7.723 10.065 403 1HG2 VAL 54 HG21 VAL 54 90.134 -5.095 12.249 404 2HG2 VAL 54 HG23 VAL 54 88.986 -4.307 11.166 405 3HG2 VAL 54 HG22 VAL 54 88.803 -6.017 11.553 406 H LYS 55 HN LYS 55 90.810 -2.926 8.215 407 HA LYS 55 HA LYS 55 90.167 -0.808 10.232 408 1HB LYS 55 2HB LYS 55 90.932 -0.423 7.317 409 2HB LYS 55 3HB LYS 55 90.632 0.851 8.489 410 1HG LYS 55 2HG LYS 55 92.914 -1.123 8.450 411 2HG LYS 55 3HG LYS 55 92.993 0.638 8.406 412 1HD LYS 55 2HD LYS 55 91.775 0.552 10.671 413 2HD LYS 55 3HD LYS 55 92.253 -1.142 10.702 414 1HE LYS 55 2HE LYS 55 94.486 0.561 9.975 415 2HE LYS 55 3HE LYS 55 93.801 1.018 11.534 416 1HZ LYS 55 HZ2 LYS 55 93.892 -1.340 12.174 417 2HZ LYS 55 HZ1 LYS 55 94.691 -1.692 10.718 418 3HZ LYS 55 HZ3 LYS 55 95.427 -0.684 11.870 419 H HIS 56 HN HIS 56 88.252 0.363 10.034 420 HA HIS 56 HA HIS 56 86.284 -0.686 8.040 421 1HB HIS 56 2HB HIS 56 85.941 -0.113 10.985 422 2HB HIS 56 3HB HIS 56 84.562 -0.185 9.889 423 HD1 HIS 56 HD1 HIS 56 86.179 -2.495 8.157 424 HD2 HIS 56 HD2 HIS 56 85.035 -2.610 12.165 425 HE1 HIS 56 HE1 HIS 56 86.006 -4.942 8.784 426 H CYS 57 HN CYS 57 87.385 1.367 6.992 427 HA CYS 57 HA CYS 57 86.792 3.985 7.951 428 1HB CYS 57 2HB CYS 57 87.038 3.023 5.080 429 2HB CYS 57 3HB CYS 57 87.100 4.706 5.599 430 HG CYS 57 HG CYS 57 89.301 4.115 6.943 431 H VAL 58 HN VAL 58 85.008 5.342 7.599 432 HA VAL 58 HA VAL 58 82.539 3.892 6.788 433 HB VAL 58 HB VAL 58 83.146 6.100 8.702 434 1HG1 VAL 58 HG13 VAL 58 80.657 5.845 7.035 435 2HG1 VAL 58 HG12 VAL 58 80.500 6.330 8.715 436 3HG1 VAL 58 HG11 VAL 58 81.468 7.300 7.606 437 1HG2 VAL 58 HG23 VAL 58 82.765 3.560 9.148 438 2HG2 VAL 58 HG22 VAL 58 81.937 4.723 10.188 439 3HG2 VAL 58 HG21 VAL 58 81.064 3.925 8.877 440 H ILE 59 HN ILE 59 81.244 4.606 5.189 441 HA ILE 59 HA ILE 59 82.011 7.108 3.745 442 HB ILE 59 HB ILE 59 80.669 4.616 2.655 443 1HG1 ILE 59 HG12 ILE 59 83.053 4.240 3.100 444 2HG1 ILE 59 HG11 ILE 59 82.766 4.333 1.363 445 1HG2 ILE 59 HG22 ILE 59 80.414 7.192 1.745 446 2HG2 ILE 59 HG21 ILE 59 81.786 6.606 0.799 447 3HG2 ILE 59 HG23 ILE 59 80.241 5.753 0.741 448 1HD1 ILE 59 HD13 ILE 59 83.286 6.892 1.729 449 2HD1 ILE 59 HD12 ILE 59 84.098 6.312 3.186 450 3HD1 ILE 59 HD11 ILE 59 84.609 5.730 1.596 451 H ASN 60 HN ASN 60 80.323 8.637 3.624 452 HA ASN 60 HA ASN 60 77.677 7.661 4.685 453 1HB ASN 60 2HB ASN 60 78.942 10.400 4.924 454 2HB ASN 60 3HB ASN 60 77.328 9.989 5.493 455 1HD2 ASN 60 HD22 ASN 60 80.330 9.305 7.976 456 2HD2 ASN 60 HD21 ASN 60 80.322 10.459 6.726 457 H LYS 61 HN LYS 61 76.449 7.343 2.824 458 HA LYS 61 HA LYS 61 76.697 8.958 0.481 459 1HB LYS 61 2HB LYS 61 75.572 6.726 0.521 460 2HB LYS 61 3HB LYS 61 74.246 7.442 1.435 461 1HG LYS 61 2HG LYS 61 73.886 9.064 -0.420 462 2HG LYS 61 3HG LYS 61 75.137 8.241 -1.349 463 1HD LYS 61 2HD LYS 61 73.856 6.246 -1.513 464 2HD LYS 61 3HD LYS 61 72.754 6.758 -0.231 465 1HE LYS 61 2HE LYS 61 71.636 7.045 -2.373 466 2HE LYS 61 3HE LYS 61 71.983 8.631 -1.691 467 1HZ LYS 61 HZ2 LYS 61 73.648 7.242 -3.727 468 2HZ LYS 61 HZ1 LYS 61 72.553 8.496 -4.048 469 3HZ LYS 61 HZ3 LYS 61 73.925 8.797 -3.098 470 H THR 62 HN THR 62 76.764 11.104 1.491 471 HA THR 62 HA THR 62 74.012 12.144 1.966 472 HB THR 62 HB THR 62 74.864 13.606 3.723 473 HG1 THR 62 HG1 THR 62 77.075 13.225 4.403 474 1HG2 THR 62 HG23 THR 62 75.743 10.732 4.117 475 2HG2 THR 62 HG22 THR 62 75.440 11.891 5.406 476 3HG2 THR 62 HG21 THR 62 74.118 11.354 4.373 477 H ALA 63 HN ALA 63 74.182 14.698 1.847 478 HA ALA 63 HA ALA 63 74.864 15.410 -0.793 479 1HB ALA 63 HB3 ALA 63 74.159 16.854 1.685 480 2HB ALA 63 HB2 ALA 63 75.162 17.790 0.572 481 3HB ALA 63 HB1 ALA 63 73.612 17.132 0.029 482 H THR 64 HN THR 64 76.742 15.721 2.203 483 HA THR 64 HA THR 64 79.211 15.749 0.587 484 HB THR 64 HB THR 64 78.463 18.140 0.957 485 HG1 THR 64 HG1 THR 64 80.864 17.001 1.477 486 1HG2 THR 64 HG22 THR 64 77.831 17.325 3.473 487 2HG2 THR 64 HG21 THR 64 79.416 18.046 3.756 488 3HG2 THR 64 HG23 THR 64 78.126 19.007 3.032 489 H GLY 65 HN GLY 65 78.860 13.552 1.791 490 1HA GLY 65 2HA GLY 65 80.645 13.627 4.120 491 2HA GLY 65 3HA GLY 65 79.013 13.063 4.469 492 H TYR 66 HN TYR 66 79.293 11.983 1.442 493 HA TYR 66 HA TYR 66 79.672 9.270 2.147 494 1HB TYR 66 2HB TYR 66 79.821 8.813 -0.229 495 2HB TYR 66 3HB TYR 66 78.595 10.042 0.044 496 HD1 TYR 66 HD2 TYR 66 82.071 9.453 -1.088 497 HD2 TYR 66 HD1 TYR 66 78.870 12.297 -0.768 498 HE1 TYR 66 HE2 TYR 66 83.308 11.010 -2.571 499 HE2 TYR 66 HE1 TYR 66 80.107 13.856 -2.252 500 HH TYR 66 HH TYR 66 81.849 13.874 -3.869 501 H GLY 67 HN GLY 67 81.966 11.688 2.094 502 1HA GLY 67 2HA GLY 67 84.128 9.682 2.318 503 2HA GLY 67 3HA GLY 67 84.316 10.878 1.042 504 H PHE 68 HN PHE 68 86.307 11.385 2.399 505 HA PHE 68 HA PHE 68 86.018 12.614 4.988 506 1HB PHE 68 2HB PHE 68 88.185 13.079 2.910 507 2HB PHE 68 3HB PHE 68 88.280 13.500 4.616 508 HD1 PHE 68 HD1 PHE 68 87.370 11.291 6.123 509 HD2 PHE 68 HD2 PHE 68 89.471 11.248 2.380 510 HE1 PHE 68 HE1 PHE 68 88.219 9.012 6.625 511 HE2 PHE 68 HE2 PHE 68 90.323 8.977 2.880 512 HZ PHE 68 HZ PHE 68 89.705 7.854 4.998 513 H ALA 69 HN ALA 69 86.254 14.935 5.429 514 HA ALA 69 HA ALA 69 84.828 16.566 3.399 515 1HB ALA 69 HB1 ALA 69 85.418 16.973 6.343 516 2HB ALA 69 HB3 ALA 69 84.676 18.214 5.333 517 3HB ALA 69 HB2 ALA 69 83.844 16.674 5.589 518 H GLU 70 HN GLU 70 87.911 15.817 3.885 519 HA GLU 70 HA GLU 70 89.418 18.149 4.285 520 1HB GLU 70 2HB GLU 70 89.901 15.867 2.342 521 2HB GLU 70 3HB GLU 70 91.118 17.055 2.791 522 1HG GLU 70 2HG GLU 70 90.983 16.370 5.128 523 2HG GLU 70 3HG GLU 70 89.669 15.249 4.749 524 HA PRO 71 HA PRO 71 88.744 21.130 1.122 525 1HB PRO 71 2HB PRO 71 91.589 20.642 0.316 526 2HB PRO 71 3HB PRO 71 90.752 22.173 0.633 527 1HG PRO 71 2HG PRO 71 92.420 21.027 2.417 528 2HG PRO 71 3HG PRO 71 91.036 22.024 2.885 529 1HD PRO 71 2HD PRO 71 91.415 19.128 3.200 530 2HD PRO 71 3HD PRO 71 90.235 20.194 3.987 531 H TYR 72 HN TYR 72 89.676 17.912 0.467 532 HA TYR 72 HA TYR 72 89.982 17.828 -2.334 533 1HB TYR 72 2HB TYR 72 88.453 15.872 -0.572 534 2HB TYR 72 3HB TYR 72 89.015 15.544 -2.211 535 HD1 TYR 72 HD1 TYR 72 91.542 17.570 -0.893 536 HD2 TYR 72 HD2 TYR 72 89.921 13.607 -0.484 537 HE1 TYR 72 HE1 TYR 72 93.719 16.761 -0.015 538 HE2 TYR 72 HE2 TYR 72 92.092 12.807 0.394 539 HH TYR 72 HH TYR 72 94.425 14.728 1.574 540 H ASN 73 HN ASN 73 87.264 18.680 -0.405 541 HA ASN 73 HA ASN 73 85.151 19.481 -0.954 542 1HB ASN 73 2HB ASN 73 86.350 19.617 -3.732 543 2HB ASN 73 3HB ASN 73 84.797 20.310 -3.275 544 1HD2 ASN 73 HD22 ASN 73 87.635 22.838 -2.884 545 2HD2 ASN 73 HD21 ASN 73 87.257 21.776 -4.159 546 H LEU 74 HN LEU 74 85.408 16.648 -0.799 547 HA LEU 74 HA LEU 74 84.239 14.710 -1.411 548 1HB LEU 74 2HB LEU 74 82.302 16.881 -2.239 549 2HB LEU 74 3HB LEU 74 81.888 15.170 -2.198 550 HG LEU 74 HG LEU 74 81.200 16.261 -0.111 551 1HD1 LEU 74 HD13 LEU 74 82.398 13.895 -0.270 552 2HD1 LEU 74 HD12 LEU 74 83.629 14.712 0.697 553 3HD1 LEU 74 HD11 LEU 74 81.975 14.592 1.295 554 1HD2 LEU 74 HD22 LEU 74 83.191 17.950 -0.398 555 2HD2 LEU 74 HD21 LEU 74 82.636 17.525 1.220 556 3HD2 LEU 74 HD23 LEU 74 84.082 16.763 0.553 557 H TYR 75 HN TYR 75 84.969 13.494 -3.047 558 HA TYR 75 HA TYR 75 85.662 14.453 -5.631 559 1HB TYR 75 2HB TYR 75 85.015 11.642 -4.698 560 2HB TYR 75 3HB TYR 75 85.754 12.032 -6.258 561 HD1 TYR 75 HD1 TYR 75 88.011 12.990 -6.384 562 HD2 TYR 75 HD2 TYR 75 86.243 11.907 -2.626 563 HE1 TYR 75 HE1 TYR 75 90.215 13.184 -5.288 564 HE2 TYR 75 HE2 TYR 75 88.458 12.085 -1.530 565 HH TYR 75 HH TYR 75 90.629 13.384 -2.013 566 H SER 76 HN SER 76 84.629 14.295 -7.634 567 HA SER 76 HA SER 76 81.814 14.767 -7.669 568 1HB SER 76 2HB SER 76 83.775 14.114 -9.870 569 2HB SER 76 3HB SER 76 82.107 14.572 -10.169 570 HG SER 76 HG SER 76 82.920 16.525 -10.078 571 H SER 77 HN SER 77 83.682 11.807 -8.458 572 HA SER 77 HA SER 77 81.052 10.371 -8.581 573 1HB SER 77 2HB SER 77 83.588 9.808 -10.137 574 2HB SER 77 3HB SER 77 82.162 8.774 -10.141 575 HG SER 77 HG SER 77 81.257 11.156 -10.611 576 H LEU 78 HN LEU 78 80.954 8.350 -7.566 577 HA LEU 78 HA LEU 78 82.547 7.970 -5.244 578 1HB LEU 78 2HB LEU 78 80.781 6.081 -6.817 579 2HB LEU 78 3HB LEU 78 81.539 5.630 -5.290 580 HG LEU 78 HG LEU 78 79.740 8.044 -5.677 581 1HD1 LEU 78 HD12 LEU 78 79.192 5.222 -4.800 582 2HD1 LEU 78 HD11 LEU 78 78.300 6.540 -4.044 583 3HD1 LEU 78 HD13 LEU 78 78.206 6.298 -5.788 584 1HD2 LEU 78 HD22 LEU 78 81.369 6.931 -3.438 585 2HD2 LEU 78 HD21 LEU 78 80.976 8.609 -3.823 586 3HD2 LEU 78 HD23 LEU 78 79.778 7.587 -3.030 587 H LYS 79 HN LYS 79 82.760 6.564 -8.491 588 HA LYS 79 HA LYS 79 84.797 4.658 -8.028 589 1HB LYS 79 2HB LYS 79 84.175 6.405 -10.418 590 2HB LYS 79 3HB LYS 79 85.434 5.168 -10.452 591 1HG LYS 79 2HG LYS 79 83.793 3.440 -9.892 592 2HG LYS 79 3HG LYS 79 82.522 4.657 -9.763 593 1HD LYS 79 2HD LYS 79 83.043 5.284 -12.170 594 2HD LYS 79 3HD LYS 79 84.046 3.839 -12.245 595 1HE LYS 79 2HE LYS 79 81.875 3.235 -13.097 596 2HE LYS 79 3HE LYS 79 82.017 2.515 -11.490 597 1HZ LYS 79 HZ3 LYS 79 80.991 5.149 -11.318 598 2HZ LYS 79 HZ2 LYS 79 80.044 4.229 -12.390 599 3HZ LYS 79 HZ1 LYS 79 80.293 3.698 -10.793 600 H GLU 80 HN GLU 80 85.045 8.166 -8.662 601 HA GLU 80 HA GLU 80 87.892 8.280 -8.845 602 1HB GLU 80 2HB GLU 80 86.390 10.140 -9.500 603 2HB GLU 80 3HB GLU 80 85.993 10.405 -7.805 604 1HG GLU 80 2HG GLU 80 88.329 10.917 -7.300 605 2HG GLU 80 3HG GLU 80 88.791 10.561 -8.967 606 H LEU 81 HN LEU 81 85.734 8.515 -6.025 607 HA LEU 81 HA LEU 81 87.679 9.219 -4.086 608 1HB LEU 81 2HB LEU 81 85.187 9.153 -3.764 609 2HB LEU 81 3HB LEU 81 85.303 7.394 -3.673 610 HG LEU 81 HG LEU 81 87.121 8.992 -1.924 611 1HD1 LEU 81 HD11 LEU 81 84.136 8.715 -1.551 612 2HD1 LEU 81 HD13 LEU 81 85.231 8.987 -0.198 613 3HD1 LEU 81 HD12 LEU 81 85.104 10.183 -1.489 614 1HD2 LEU 81 HD22 LEU 81 85.646 6.354 -1.819 615 2HD2 LEU 81 HD21 LEU 81 87.386 6.648 -1.739 616 3HD2 LEU 81 HD23 LEU 81 86.356 7.059 -0.367 617 H VAL 82 HN VAL 82 86.684 5.971 -5.228 618 HA VAL 82 HA VAL 82 88.375 4.543 -3.410 619 HB VAL 82 HB VAL 82 87.411 3.754 -6.173 620 1HG1 VAL 82 HG12 VAL 82 88.790 2.245 -3.964 621 2HG1 VAL 82 HG11 VAL 82 87.679 1.414 -5.054 622 3HG1 VAL 82 HG13 VAL 82 89.110 2.212 -5.696 623 1HG2 VAL 82 HG22 VAL 82 86.018 4.192 -3.732 624 2HG2 VAL 82 HG21 VAL 82 85.388 3.485 -5.217 625 3HG2 VAL 82 HG23 VAL 82 86.088 2.444 -3.979 626 H LEU 83 HN LEU 83 88.955 5.890 -6.650 627 HA LEU 83 HA LEU 83 91.638 4.797 -6.884 628 1HB LEU 83 2HB LEU 83 90.154 6.988 -8.353 629 2HB LEU 83 3HB LEU 83 91.781 6.463 -8.788 630 HG LEU 83 HG LEU 83 89.379 4.618 -8.627 631 1HD1 LEU 83 HD13 LEU 83 90.650 6.119 -10.921 632 2HD1 LEU 83 HD12 LEU 83 89.740 4.634 -11.190 633 3HD1 LEU 83 HD11 LEU 83 88.943 6.034 -10.480 634 1HD2 LEU 83 HD21 LEU 83 92.279 4.309 -9.379 635 2HD2 LEU 83 HD23 LEU 83 91.284 3.267 -8.362 636 3HD2 LEU 83 HD22 LEU 83 91.071 3.260 -10.113 637 H HIS 84 HN HIS 84 90.298 7.932 -5.833 638 HA HIS 84 HA HIS 84 92.830 9.257 -5.643 639 1HB HIS 84 2HB HIS 84 90.593 10.407 -5.568 640 2HB HIS 84 3HB HIS 84 90.393 9.783 -3.926 641 HD1 HIS 84 HD1 HIS 84 92.209 10.578 -2.144 642 HD2 HIS 84 HD2 HIS 84 92.245 12.665 -5.751 643 HE1 HIS 84 HE1 HIS 84 93.597 12.659 -1.752 644 H TYR 85 HN TYR 85 90.990 7.296 -3.330 645 HA TYR 85 HA TYR 85 92.749 7.761 -1.106 646 1HB TYR 85 2HB TYR 85 90.747 5.614 -1.790 647 2HB TYR 85 3HB TYR 85 91.733 5.508 -0.328 648 HD1 TYR 85 HD2 TYR 85 90.833 8.846 -1.585 649 HD2 TYR 85 HD1 TYR 85 89.672 5.655 1.051 650 HE1 TYR 85 HE2 TYR 85 89.283 10.382 -0.408 651 HE2 TYR 85 HE1 TYR 85 88.122 7.192 2.222 652 HH TYR 85 HH TYR 85 87.593 9.395 2.525 653 H GLN 86 HN GLN 86 92.833 5.650 -3.864 654 HA GLN 86 HA GLN 86 94.787 3.767 -2.927 655 1HB GLN 86 2HB GLN 86 93.505 3.352 -4.962 656 2HB GLN 86 3HB GLN 86 94.176 4.794 -5.719 657 1HG GLN 86 2HG GLN 86 96.406 3.848 -5.694 658 2HG GLN 86 3HG GLN 86 95.846 2.451 -4.779 659 1HE2 GLN 86 HE22 GLN 86 95.769 2.183 -8.718 660 2HE2 GLN 86 HE21 GLN 86 96.764 3.222 -7.821 661 H HIS 87 HN HIS 87 95.038 6.997 -4.354 662 HA HIS 87 HA HIS 87 97.979 6.781 -4.438 663 1HB HIS 87 2HB HIS 87 96.122 9.077 -5.139 664 2HB HIS 87 3HB HIS 87 97.871 9.050 -5.416 665 HD1 HIS 87 HD1 HIS 87 98.607 6.681 -6.747 666 HD2 HIS 87 HD2 HIS 87 94.788 8.213 -7.399 667 HE1 HIS 87 HE1 HIS 87 97.781 5.643 -8.900 668 H THR 88 HN THR 88 95.577 7.767 -2.210 669 HA THR 88 HA THR 88 97.484 9.579 -0.814 670 HB THR 88 HB THR 88 94.559 9.020 -0.239 671 HG1 THR 88 HG1 THR 88 95.248 11.510 -1.036 672 1HG2 THR 88 HG22 THR 88 96.698 10.495 1.148 673 2HG2 THR 88 HG21 THR 88 95.214 11.418 0.913 674 3HG2 THR 88 HG23 THR 88 95.168 9.873 1.773 675 H SER 89 HN SER 89 98.422 9.025 1.110 676 HA SER 89 HA SER 89 98.078 6.238 1.993 677 1HB SER 89 2HB SER 89 100.345 7.240 1.849 678 2HB SER 89 3HB SER 89 99.887 8.430 3.064 679 HG SER 89 HG SER 89 100.651 6.911 4.343 680 H LEU 90 HN LEU 90 96.717 5.681 3.614 681 HA LEU 90 HA LEU 90 95.070 7.620 4.949 682 1HB LEU 90 2HB LEU 90 95.561 4.677 5.474 683 2HB LEU 90 3HB LEU 90 94.358 5.633 6.348 684 HG LEU 90 HG LEU 90 94.457 5.334 3.330 685 1HD1 LEU 90 HD13 LEU 90 93.876 3.228 4.586 686 2HD1 LEU 90 HD12 LEU 90 92.527 4.101 5.312 687 3HD1 LEU 90 HD11 LEU 90 92.571 3.839 3.570 688 1HD2 LEU 90 HD22 LEU 90 92.889 6.954 5.241 689 2HD2 LEU 90 HD21 LEU 90 93.207 7.226 3.530 690 3HD2 LEU 90 HD23 LEU 90 91.937 6.111 4.019 691 H VAL 91 HN VAL 91 98.205 6.351 5.675 692 HA VAL 91 HA VAL 91 98.919 6.198 8.201 693 HB VAL 91 HB VAL 91 100.415 7.004 6.347 694 1HG1 VAL 91 HG12 VAL 91 98.820 8.977 5.874 695 2HG1 VAL 91 HG11 VAL 91 99.648 9.793 7.204 696 3HG1 VAL 91 HG13 VAL 91 100.552 9.287 5.777 697 1HG2 VAL 91 HG22 VAL 91 100.954 7.050 8.922 698 2HG2 VAL 91 HG21 VAL 91 102.039 7.859 7.793 699 3HG2 VAL 91 HG23 VAL 91 100.867 8.797 8.716 700 H GLN 92 HN GLN 92 97.611 9.327 7.029 701 HA GLN 92 HA GLN 92 96.605 11.102 8.185 702 1HB GLN 92 2HB GLN 92 94.979 9.241 8.569 703 2HB GLN 92 3HB GLN 92 95.803 8.889 10.087 704 1HG GLN 92 2HG GLN 92 95.104 10.876 11.090 705 2HG GLN 92 3HG GLN 92 94.841 11.683 9.536 706 1HE2 GLN 92 HE22 GLN 92 91.571 10.465 11.128 707 2HE2 GLN 92 HE21 GLN 92 92.884 11.294 11.802 708 H HIS 93 HN HIS 93 96.358 12.016 10.589 709 HA HIS 93 HA HIS 93 98.981 12.599 11.508 710 1HB HIS 93 2HB HIS 93 96.321 12.863 12.940 711 2HB HIS 93 3HB HIS 93 97.833 13.589 13.492 712 HD1 HIS 93 HD1 HIS 93 99.053 14.991 11.286 713 HD2 HIS 93 HD2 HIS 93 94.896 14.711 11.470 714 HE1 HIS 93 HE1 HIS 93 98.143 16.835 9.804 715 H ASN 94 HN ASN 94 96.733 10.038 12.379 716 HA ASN 94 HA ASN 94 97.878 9.222 14.849 717 1HB ASN 94 2HB ASN 94 96.630 7.575 12.628 718 2HB ASN 94 3HB ASN 94 97.047 6.926 14.216 719 1HD2 ASN 94 HD22 ASN 94 93.472 8.449 13.972 720 2HD2 ASN 94 HD21 ASN 94 94.323 7.590 12.781 721 H ASP 95 HN ASP 95 99.040 8.993 11.598 722 HA ASP 95 HA ASP 95 101.078 8.230 10.750 723 1HB ASP 95 2HB ASP 95 101.890 9.538 12.790 724 2HB ASP 95 3HB ASP 95 101.991 7.981 13.613 725 H SER 96 HN SER 96 99.041 6.235 11.135 726 HA SER 96 HA SER 96 100.825 3.906 11.398 727 1HB SER 96 2HB SER 96 98.296 4.168 13.043 728 2HB SER 96 3HB SER 96 99.252 2.698 12.894 729 HG SER 96 HG SER 96 101.039 4.297 13.544 730 H LEU 97 HN LEU 97 98.419 5.437 9.767 731 HA LEU 97 HA LEU 97 97.268 2.888 8.738 732 1HB LEU 97 2HB LEU 97 96.433 5.771 8.381 733 2HB LEU 97 3HB LEU 97 95.627 4.408 7.622 734 HG LEU 97 HG LEU 97 96.000 4.693 10.606 735 1HD1 LEU 97 HD13 LEU 97 94.344 6.220 8.962 736 2HD1 LEU 97 HD12 LEU 97 93.285 4.937 9.554 737 3HD1 LEU 97 HD11 LEU 97 94.140 5.979 10.695 738 1HD2 LEU 97 HD22 LEU 97 94.689 2.731 8.759 739 2HD2 LEU 97 HD21 LEU 97 95.580 2.438 10.255 740 3HD2 LEU 97 HD23 LEU 97 93.929 3.040 10.318 741 H ASN 98 HN ASN 98 99.836 3.154 8.027 742 HA ASN 98 HA ASN 98 100.160 4.681 5.566 743 1HB ASN 98 2HB ASN 98 101.819 2.976 7.303 744 2HB ASN 98 3HB ASN 98 102.255 2.933 5.590 745 1HD2 ASN 98 HD22 ASN 98 102.819 6.366 7.741 746 2HD2 ASN 98 HD21 ASN 98 101.938 5.081 8.410 747 H VAL 99 HN VAL 99 98.161 3.610 4.670 748 HA VAL 99 HA VAL 99 99.008 1.430 2.875 749 HB VAL 99 HB VAL 99 96.707 1.243 4.821 750 1HG1 VAL 99 HG13 VAL 99 96.986 0.123 2.094 751 2HG1 VAL 99 HG12 VAL 99 96.445 -1.007 3.342 752 3HG1 VAL 99 HG11 VAL 99 95.527 0.467 3.022 753 1HG2 VAL 99 HG21 VAL 99 99.055 -0.531 4.110 754 2HG2 VAL 99 HG23 VAL 99 98.774 0.296 5.639 755 3HG2 VAL 99 HG22 VAL 99 97.736 -1.040 5.159 756 H THR 100 HN THR 100 97.648 1.381 0.985 757 HA THR 100 HA THR 100 95.805 3.726 0.815 758 HB THR 100 HB THR 100 96.564 4.178 -1.408 759 HG1 THR 100 HG1 THR 100 98.127 1.825 -1.162 760 1HG2 THR 100 HG22 THR 100 98.255 4.316 0.800 761 2HG2 THR 100 HG21 THR 100 99.260 3.608 -0.463 762 3HG2 THR 100 HG23 THR 100 98.474 5.163 -0.731 763 H LEU 101 HN LEU 101 93.996 3.354 -0.723 764 HA LEU 101 HA LEU 101 93.137 0.547 -0.616 765 1HB LEU 101 2HB LEU 101 91.754 2.903 -1.923 766 2HB LEU 101 3HB LEU 101 91.018 1.367 -1.445 767 HG LEU 101 HG LEU 101 92.187 3.480 0.391 768 1HD1 LEU 101 HD13 LEU 101 89.392 2.373 -0.011 769 2HD1 LEU 101 HD12 LEU 101 89.849 3.475 1.287 770 3HD1 LEU 101 HD11 LEU 101 89.947 4.004 -0.391 771 1HD2 LEU 101 HD22 LEU 101 91.223 0.665 0.954 772 2HD2 LEU 101 HD21 LEU 101 92.789 1.356 1.347 773 3HD2 LEU 101 HD23 LEU 101 91.353 1.894 2.210 774 H ALA 102 HN ALA 102 95.100 0.038 -2.046 775 HA ALA 102 HA ALA 102 94.549 0.604 -4.913 776 1HB ALA 102 HB2 ALA 102 96.832 0.889 -3.525 777 2HB ALA 102 HB1 ALA 102 97.036 -0.777 -4.068 778 3HB ALA 102 HB3 ALA 102 96.809 0.517 -5.245 779 H TYR 103 HN TYR 103 94.473 -2.033 -2.625 780 HA TYR 103 HA TYR 103 94.419 -3.956 -4.913 781 1HB TYR 103 2HB TYR 103 95.097 -4.292 -1.997 782 2HB TYR 103 3HB TYR 103 94.841 -5.662 -3.074 783 HD1 TYR 103 HD2 TYR 103 97.020 -2.781 -2.295 784 HD2 TYR 103 HD1 TYR 103 96.393 -6.150 -4.891 785 HE1 TYR 103 HE2 TYR 103 99.330 -2.538 -3.178 786 HE2 TYR 103 HE1 TYR 103 98.697 -5.906 -5.766 787 HH TYR 103 HH TYR 103 100.428 -3.451 -5.745 788 HA PRO 104 HA PRO 104 89.961 -4.113 -3.885 789 1HB PRO 104 2HB PRO 104 89.952 -6.076 -6.104 790 2HB PRO 104 3HB PRO 104 89.010 -4.587 -5.906 791 1HG PRO 104 2HG PRO 104 91.006 -4.798 -7.683 792 2HG PRO 104 3HG PRO 104 90.619 -3.278 -6.855 793 1HD PRO 104 2HD PRO 104 92.877 -5.176 -6.352 794 2HD PRO 104 3HD PRO 104 92.831 -3.399 -6.215 795 H VAL 105 HN VAL 105 88.818 -5.707 -2.681 796 HA VAL 105 HA VAL 105 90.356 -7.944 -1.685 797 HB VAL 105 HB VAL 105 88.544 -6.800 -0.407 798 1HG1 VAL 105 HG11 VAL 105 86.980 -6.561 -2.315 799 2HG1 VAL 105 HG13 VAL 105 86.768 -8.307 -2.341 800 3HG1 VAL 105 HG12 VAL 105 86.204 -7.371 -0.956 801 1HG2 VAL 105 HG21 VAL 105 89.180 -9.559 -0.560 802 2HG2 VAL 105 HG23 VAL 105 88.486 -8.700 0.816 803 3HG2 VAL 105 HG22 VAL 105 87.429 -9.470 -0.366 804 H TYR 106 HN TYR 106 87.833 -7.565 -4.135 805 HA TYR 106 HA TYR 106 88.141 -10.452 -4.829 806 1HB TYR 106 2HB TYR 106 85.928 -8.487 -5.437 807 2HB TYR 106 3HB TYR 106 86.008 -10.113 -6.115 808 HD1 TYR 106 HD1 TYR 106 86.579 -11.977 -4.201 809 HD2 TYR 106 HD2 TYR 106 84.574 -8.228 -3.570 810 HE1 TYR 106 HE1 TYR 106 85.504 -12.888 -2.161 811 HE2 TYR 106 HE2 TYR 106 83.510 -9.146 -1.531 812 HH TYR 106 HH TYR 106 84.234 -12.444 -0.421 813 H ALA 107 HN ALA 107 90.170 -8.658 -5.634 814 HA ALA 107 HA ALA 107 89.844 -7.474 -8.184 815 1HB ALA 107 HB1 ALA 107 91.953 -7.796 -6.467 816 2HB ALA 107 HB3 ALA 107 92.399 -8.898 -7.772 817 3HB ALA 107 HB2 ALA 107 92.108 -7.195 -8.119 818 H GLN 108 HN GLN 108 89.401 -8.400 -10.146 819 HA GLN 108 HA GLN 108 90.149 -11.266 -10.497 820 1HB GLN 108 2HB GLN 108 87.531 -9.910 -11.170 821 2HB GLN 108 3HB GLN 108 88.002 -11.467 -11.857 822 1HG GLN 108 2HG GLN 108 88.105 -12.471 -9.655 823 2HG GLN 108 3HG GLN 108 87.853 -10.910 -8.877 824 1HE2 GLN 108 HE22 GLN 108 84.390 -11.634 -8.855 825 2HE2 GLN 108 HE21 GLN 108 85.776 -11.243 -7.943 826 H GLN 109 HN GLN 109 90.974 -11.756 -12.543 827 HA GLN 109 HA GLN 109 91.446 -9.380 -14.275 828 1HB GLN 109 2HB GLN 109 93.417 -10.685 -13.489 829 2HB GLN 109 3HB GLN 109 92.774 -12.100 -14.318 830 1HG GLN 109 2HG GLN 109 94.358 -11.080 -15.815 831 2HG GLN 109 3HG GLN 109 92.752 -10.745 -16.444 832 1HE2 GLN 109 HE22 GLN 109 93.503 -7.316 -16.527 833 2HE2 GLN 109 HE21 GLN 109 92.877 -8.678 -17.330 834 H ARG 110 HN ARG 110 90.374 -9.231 -16.188 835 HA ARG 110 HA ARG 110 89.294 -11.743 -17.393 836 1HB ARG 110 2HB ARG 110 87.513 -10.370 -16.248 837 2HB ARG 110 3HB ARG 110 87.881 -9.058 -17.378 838 1HG ARG 110 2HG ARG 110 87.592 -11.167 -19.090 839 2HG ARG 110 3HG ARG 110 86.425 -11.584 -17.840 840 1HD ARG 110 2HD ARG 110 85.391 -9.363 -18.047 841 2HD ARG 110 3HD ARG 110 86.576 -8.916 -19.268 842 HE ARG 110 HE ARG 110 85.373 -11.244 -20.246 843 1HH1 ARG 110 HH21 ARG 110 84.384 -8.158 -19.100 844 2HH1 ARG 110 HH22 ARG 110 83.017 -8.041 -20.150 845 1HH2 ARG 110 HH11 ARG 110 83.555 -11.123 -21.646 846 2HH2 ARG 110 HH12 ARG 110 82.542 -9.725 -21.580 847 H ARG 111 HN ARG 111 89.285 -11.751 -19.712 848 HA ARG 111 HA ARG 111 91.395 -10.519 -21.064 849 1HB ARG 111 2HB ARG 111 88.696 -11.291 -22.224 850 2HB ARG 111 3HB ARG 111 90.169 -11.022 -23.157 851 1HG ARG 111 2HG ARG 111 91.288 -12.833 -21.841 852 2HG ARG 111 3HG ARG 111 89.745 -13.146 -21.038 853 1HD ARG 111 2HD ARG 111 90.069 -14.697 -22.919 854 2HD ARG 111 3HD ARG 111 88.708 -13.625 -23.228 855 HE ARG 111 HE ARG 111 90.916 -12.347 -24.368 856 1HH1 ARG 111 HH21 ARG 111 89.325 -15.396 -24.594 857 2HH1 ARG 111 HH22 ARG 111 89.772 -15.656 -26.248 858 1HH2 ARG 111 HH11 ARG 111 91.497 -12.655 -26.520 859 2HH2 ARG 111 HH12 ARG 111 90.993 -14.093 -27.344 No H/Q in entry = 859 Start of MODEL 30 1 1H GLU 1 HT3 GLU 1 95.862 -1.734 -18.119 2 2H GLU 1 HT2 GLU 1 95.443 -1.526 -19.749 3 3H GLU 1 HT1 GLU 1 97.044 -1.274 -19.243 4 HA GLU 1 HA GLU 1 96.563 0.713 -18.191 5 1HB GLU 1 2HB GLU 1 96.386 0.845 -20.677 6 2HB GLU 1 3HB GLU 1 94.648 0.574 -20.538 7 1HG GLU 1 2HG GLU 1 94.332 2.621 -19.336 8 2HG GLU 1 3HG GLU 1 96.066 2.836 -19.119 9 H ASP 2 HN ASP 2 93.598 -1.121 -18.857 10 HA ASP 2 HA ASP 2 91.825 0.575 -17.376 11 1HB ASP 2 2HB ASP 2 91.732 -2.372 -18.077 12 2HB ASP 2 3HB ASP 2 90.414 -1.545 -17.238 13 H LEU 3 HN LEU 3 91.308 0.585 -15.178 14 HA LEU 3 HA LEU 3 93.124 -0.993 -13.431 15 1HB LEU 3 2HB LEU 3 91.370 1.410 -12.833 16 2HB LEU 3 3HB LEU 3 92.394 0.591 -11.654 17 HG LEU 3 HG LEU 3 93.419 1.845 -14.220 18 1HD1 LEU 3 HD12 LEU 3 93.058 2.898 -11.437 19 2HD1 LEU 3 HD11 LEU 3 94.485 3.395 -12.345 20 3HD1 LEU 3 HD13 LEU 3 92.874 3.731 -12.980 21 1HD2 LEU 3 HD22 LEU 3 94.680 0.447 -11.864 22 2HD2 LEU 3 HD21 LEU 3 94.972 0.192 -13.583 23 3HD2 LEU 3 HD23 LEU 3 95.597 1.636 -12.790 24 HA PRO 4 HA PRO 4 89.795 -3.824 -12.465 25 1HB PRO 4 2HB PRO 4 90.959 -3.872 -9.732 26 2HB PRO 4 3HB PRO 4 90.640 -5.215 -10.843 27 1HG PRO 4 2HG PRO 4 93.115 -4.266 -10.344 28 2HG PRO 4 3HG PRO 4 92.647 -5.009 -11.881 29 1HD PRO 4 2HD PRO 4 93.195 -2.160 -11.273 30 2HD PRO 4 3HD PRO 4 93.263 -3.025 -12.826 31 H HIS 5 HN HIS 5 90.469 -0.876 -10.870 32 HA HIS 5 HA HIS 5 88.349 -0.861 -8.932 33 1HB HIS 5 2HB HIS 5 89.704 1.439 -10.374 34 2HB HIS 5 3HB HIS 5 88.697 1.596 -8.938 35 HD1 HIS 5 HD1 HIS 5 89.600 -0.283 -6.954 36 HD2 HIS 5 HD2 HIS 5 92.357 1.332 -9.630 37 HE1 HIS 5 HE1 HIS 5 91.887 -0.607 -5.918 38 H HIS 6 HN HIS 6 88.356 -0.775 -12.330 39 HA HIS 6 HA HIS 6 86.075 0.890 -12.836 40 1HB HIS 6 2HB HIS 6 87.264 -1.462 -14.334 41 2HB HIS 6 3HB HIS 6 85.862 -0.575 -14.932 42 HD1 HIS 6 HD1 HIS 6 87.716 -0.051 -16.931 43 HD2 HIS 6 HD2 HIS 6 88.254 1.883 -13.276 44 HE1 HIS 6 HE1 HIS 6 89.275 1.898 -17.374 45 H ASP 7 HN ASP 7 86.430 -2.455 -11.792 46 HA ASP 7 HA ASP 7 83.494 -2.824 -11.923 47 1HB ASP 7 2HB ASP 7 85.756 -4.757 -11.401 48 2HB ASP 7 3HB ASP 7 84.045 -5.201 -11.367 49 H GLU 8 HN GLU 8 82.270 -2.875 -10.086 50 HA GLU 8 HA GLU 8 83.398 -2.006 -7.575 51 1HB GLU 8 2HB GLU 8 80.680 -3.099 -8.322 52 2HB GLU 8 3HB GLU 8 81.079 -2.532 -6.705 53 1HG GLU 8 2HG GLU 8 81.502 -0.312 -7.488 54 2HG GLU 8 3HG GLU 8 81.441 -0.825 -9.175 55 H LYS 9 HN LYS 9 82.713 -5.118 -8.971 56 HA LYS 9 HA LYS 9 82.609 -6.712 -6.617 57 1HB LYS 9 2HB LYS 9 83.060 -8.568 -8.065 58 2HB LYS 9 3HB LYS 9 82.162 -7.405 -9.052 59 1HG LYS 9 2HG LYS 9 84.519 -6.447 -9.625 60 2HG LYS 9 3HG LYS 9 85.113 -8.006 -9.062 61 1HD LYS 9 2HD LYS 9 83.751 -9.170 -10.709 62 2HD LYS 9 3HD LYS 9 83.022 -7.646 -11.225 63 1HE LYS 9 2HE LYS 9 85.439 -6.861 -11.668 64 2HE LYS 9 3HE LYS 9 85.880 -8.561 -11.559 65 1HZ LYS 9 HZ3 LYS 9 83.660 -7.727 -13.302 66 2HZ LYS 9 HZ2 LYS 9 85.263 -7.549 -13.836 67 3HZ LYS 9 HZ1 LYS 9 84.667 -9.087 -13.425 68 H THR 10 HN THR 10 85.359 -5.466 -8.459 69 HA THR 10 HA THR 10 87.390 -7.047 -7.262 70 HB THR 10 HB THR 10 88.871 -5.020 -7.830 71 HG1 THR 10 HG1 THR 10 87.870 -3.424 -9.016 72 1HG2 THR 10 HG21 THR 10 87.247 -6.704 -9.655 73 2HG2 THR 10 HG23 THR 10 88.076 -5.331 -10.389 74 3HG2 THR 10 HG22 THR 10 88.999 -6.555 -9.518 75 H TRP 11 HN TRP 11 85.768 -4.134 -6.096 76 HA TRP 11 HA TRP 11 87.363 -4.413 -3.582 77 1HB TRP 11 2HB TRP 11 86.378 -1.859 -3.487 78 2HB TRP 11 3HB TRP 11 87.989 -2.281 -4.068 79 HD1 TRP 11 HD1 TRP 11 88.006 -2.970 -6.813 80 HE1 TRP 11 HE1 TRP 11 86.809 -1.749 -8.746 81 HE3 TRP 11 HE3 TRP 11 84.526 -0.403 -4.149 82 HZ2 TRP 11 HZ2 TRP 11 84.641 0.133 -9.080 83 HZ3 TRP 11 HZ3 TRP 11 82.914 1.095 -5.273 84 HH2 TRP 11 HH2 TRP 11 82.968 1.368 -7.736 85 H ASN 12 HN ASN 12 84.167 -3.699 -4.968 86 HA ASN 12 HA ASN 12 82.952 -3.629 -2.294 87 1HB ASN 12 2HB ASN 12 82.145 -2.216 -4.222 88 2HB ASN 12 3HB ASN 12 81.550 -3.701 -4.964 89 1HD2 ASN 12 HD22 ASN 12 78.538 -3.249 -3.178 90 2HD2 ASN 12 HD21 ASN 12 79.281 -3.429 -4.692 91 H VAL 13 HN VAL 13 82.272 -5.418 -1.252 92 HA VAL 13 HA VAL 13 82.044 -7.949 -2.780 93 HB VAL 13 HB VAL 13 81.934 -7.414 0.207 94 1HG1 VAL 13 HG11 VAL 13 81.782 -9.903 -1.482 95 2HG1 VAL 13 HG13 VAL 13 82.441 -9.975 0.152 96 3HG1 VAL 13 HG12 VAL 13 80.780 -9.437 -0.110 97 1HG2 VAL 13 HG22 VAL 13 84.121 -8.064 -1.732 98 2HG2 VAL 13 HG21 VAL 13 84.164 -7.031 -0.306 99 3HG2 VAL 13 HG23 VAL 13 84.197 -8.787 -0.122 100 H GLY 14 HN GLY 14 80.108 -5.399 -1.850 101 1HA GLY 14 2HA GLY 14 77.755 -5.351 -2.442 102 2HA GLY 14 3HA GLY 14 77.679 -7.092 -2.156 103 H SER 15 HN SER 15 75.783 -6.512 -0.785 104 HA SER 15 HA SER 15 76.311 -5.025 1.675 105 1HB SER 15 2HB SER 15 73.917 -6.741 0.955 106 2HB SER 15 3HB SER 15 73.998 -5.525 2.226 107 HG SER 15 HG SER 15 73.047 -4.763 0.250 108 H SER 16 HN SER 16 78.216 -6.762 1.895 109 HA SER 16 HA SER 16 77.376 -9.317 3.038 110 1HB SER 16 2HB SER 16 79.767 -9.674 3.430 111 2HB SER 16 3HB SER 16 79.519 -9.058 1.798 112 HG SER 16 HG SER 16 80.639 -7.838 4.047 113 H ASN 17 HN ASN 17 77.801 -9.915 5.298 114 HA ASN 17 HA ASN 17 76.956 -7.864 7.151 115 1HB ASN 17 2HB ASN 17 78.070 -10.646 7.623 116 2HB ASN 17 3HB ASN 17 77.384 -9.625 8.885 117 1HD2 ASN 17 HD22 ASN 17 74.882 -11.884 6.816 118 2HD2 ASN 17 HD21 ASN 17 76.542 -12.180 6.995 119 H ARG 18 HN ARG 18 78.201 -6.725 8.676 120 HA ARG 18 HA ARG 18 80.906 -6.152 8.004 121 1HB ARG 18 2HB ARG 18 79.331 -5.704 10.548 122 2HB ARG 18 3HB ARG 18 80.981 -5.129 10.335 123 1HG ARG 18 2HG ARG 18 80.251 -3.914 8.283 124 2HG ARG 18 3HG ARG 18 78.594 -4.414 8.606 125 1HD ARG 18 2HD ARG 18 78.610 -3.254 10.738 126 2HD ARG 18 3HD ARG 18 80.309 -2.841 10.555 127 HE ARG 18 HE ARG 18 78.069 -1.377 9.516 128 1HH1 ARG 18 HH21 ARG 18 81.172 -2.545 8.541 129 2HH1 ARG 18 HH22 ARG 18 81.307 -1.434 7.220 130 1HH2 ARG 18 HH11 ARG 18 78.243 0.066 7.815 131 2HH2 ARG 18 HH12 ARG 18 79.653 0.042 6.811 132 H ASN 19 HN ASN 19 79.514 -8.434 10.358 133 HA ASN 19 HA ASN 19 81.998 -9.182 11.570 134 1HB ASN 19 2HB ASN 19 80.825 -11.157 12.368 135 2HB ASN 19 3HB ASN 19 79.719 -9.786 12.460 136 1HD2 ASN 19 HD22 ASN 19 78.016 -12.712 10.780 137 2HD2 ASN 19 HD21 ASN 19 78.831 -12.545 12.261 138 H LYS 20 HN LYS 20 80.229 -10.438 8.748 139 HA LYS 20 HA LYS 20 82.014 -12.575 8.135 140 1HB LYS 20 2HB LYS 20 79.785 -12.243 7.057 141 2HB LYS 20 3HB LYS 20 80.450 -10.866 6.178 142 1HG LYS 20 2HG LYS 20 82.241 -12.437 5.294 143 2HG LYS 20 3HG LYS 20 81.295 -13.763 5.973 144 1HD LYS 20 2HD LYS 20 79.396 -13.220 4.594 145 2HD LYS 20 3HD LYS 20 80.157 -11.725 4.049 146 1HE LYS 20 2HE LYS 20 81.903 -12.986 2.898 147 2HE LYS 20 3HE LYS 20 81.244 -14.503 3.507 148 1HZ LYS 20 HZ3 LYS 20 79.250 -12.931 2.221 149 2HZ LYS 20 HZ2 LYS 20 80.551 -13.240 1.175 150 3HZ LYS 20 HZ1 LYS 20 79.721 -14.530 1.911 151 H ALA 21 HN ALA 21 82.101 -9.122 7.353 152 HA ALA 21 HA ALA 21 84.242 -9.171 5.483 153 1HB ALA 21 HB3 ALA 21 82.731 -7.220 6.821 154 2HB ALA 21 HB2 ALA 21 84.404 -6.895 7.281 155 3HB ALA 21 HB1 ALA 21 83.947 -6.931 5.576 156 H GLU 22 HN GLU 22 84.180 -9.302 9.003 157 HA GLU 22 HA GLU 22 86.944 -8.872 9.500 158 1HB GLU 22 2HB GLU 22 85.179 -9.021 11.278 159 2HB GLU 22 3HB GLU 22 85.095 -10.762 10.996 160 1HG GLU 22 2HG GLU 22 87.358 -11.080 11.686 161 2HG GLU 22 3HG GLU 22 87.683 -9.349 11.653 162 H ASN 23 HN ASN 23 85.126 -11.816 8.701 163 HA ASN 23 HA ASN 23 87.264 -13.680 8.853 164 1HB ASN 23 2HB ASN 23 84.842 -14.261 8.581 165 2HB ASN 23 3HB ASN 23 84.926 -13.684 6.923 166 1HD2 ASN 23 HD22 ASN 23 86.640 -17.272 7.902 167 2HD2 ASN 23 HD21 ASN 23 86.185 -16.191 9.129 168 H LEU 24 HN LEU 24 86.042 -11.724 6.118 169 HA LEU 24 HA LEU 24 88.055 -12.586 4.242 170 1HB LEU 24 2HB LEU 24 86.300 -10.123 4.372 171 2HB LEU 24 3HB LEU 24 87.367 -10.487 3.015 172 HG LEU 24 HG LEU 24 84.843 -11.247 2.968 173 1HD1 LEU 24 HD11 LEU 24 86.655 -11.734 1.294 174 2HD1 LEU 24 HD13 LEU 24 87.039 -13.189 2.214 175 3HD1 LEU 24 HD12 LEU 24 85.461 -13.024 1.448 176 1HD2 LEU 24 HD23 LEU 24 84.924 -12.472 5.111 177 2HD2 LEU 24 HD22 LEU 24 84.534 -13.545 3.778 178 3HD2 LEU 24 HD21 LEU 24 86.155 -13.545 4.456 179 H LEU 25 HN LEU 25 87.871 -10.014 6.660 180 HA LEU 25 HA LEU 25 90.401 -8.803 5.773 181 1HB LEU 25 2HB LEU 25 88.724 -8.446 8.276 182 2HB LEU 25 3HB LEU 25 90.178 -7.513 7.924 183 HG LEU 25 HG LEU 25 87.960 -7.626 5.896 184 1HD1 LEU 25 HD12 LEU 25 87.305 -6.857 8.396 185 2HD1 LEU 25 HD11 LEU 25 88.033 -5.355 7.831 186 3HD1 LEU 25 HD13 LEU 25 86.662 -6.053 6.969 187 1HD2 LEU 25 HD21 LEU 25 90.206 -6.650 5.358 188 2HD2 LEU 25 HD23 LEU 25 88.904 -5.464 5.256 189 3HD2 LEU 25 HD22 LEU 25 89.970 -5.483 6.660 190 H ARG 26 HN ARG 26 89.407 -11.437 7.713 191 HA ARG 26 HA ARG 26 91.669 -11.469 9.514 192 1HB ARG 26 2HB ARG 26 89.247 -12.956 9.093 193 2HB ARG 26 3HB ARG 26 90.601 -14.085 9.190 194 1HG ARG 26 2HG ARG 26 91.337 -12.757 11.259 195 2HG ARG 26 3HG ARG 26 89.729 -12.030 11.217 196 1HD ARG 26 2HD ARG 26 89.217 -14.742 10.912 197 2HD ARG 26 3HD ARG 26 90.540 -14.714 12.079 198 HE ARG 26 HE ARG 26 87.894 -14.200 12.767 199 1HH1 ARG 26 HH21 ARG 26 90.822 -12.371 12.748 200 2HH1 ARG 26 HH22 ARG 26 90.355 -11.370 14.079 201 1HH2 ARG 26 HH11 ARG 26 87.287 -12.913 14.514 202 2HH2 ARG 26 HH12 ARG 26 88.362 -11.674 15.077 203 H GLY 27 HN GLY 27 93.699 -12.026 8.971 204 1HA GLY 27 2HA GLY 27 95.453 -13.219 7.932 205 2HA GLY 27 3HA GLY 27 94.237 -14.248 7.164 206 H LYS 28 HN LYS 28 93.783 -10.852 6.861 207 HA LYS 28 HA LYS 28 94.395 -11.077 3.974 208 1HB LYS 28 2HB LYS 28 92.172 -10.169 4.805 209 2HB LYS 28 3HB LYS 28 93.066 -8.771 5.407 210 1HG LYS 28 2HG LYS 28 92.381 -8.098 3.244 211 2HG LYS 28 3HG LYS 28 94.053 -8.618 3.021 212 1HD LYS 28 2HD LYS 28 92.319 -10.902 2.773 213 2HD LYS 28 3HD LYS 28 91.743 -9.625 1.708 214 1HE LYS 28 2HE LYS 28 94.036 -9.397 0.779 215 2HE LYS 28 3HE LYS 28 94.568 -10.719 1.818 216 1HZ LYS 28 HZ3 LYS 28 92.281 -11.050 -0.016 217 2HZ LYS 28 HZ2 LYS 28 93.877 -11.268 -0.562 218 3HZ LYS 28 HZ1 LYS 28 93.262 -12.243 0.684 219 H ARG 29 HN ARG 29 96.028 -9.949 3.046 220 HA ARG 29 HA ARG 29 98.041 -8.731 4.744 221 1HB ARG 29 2HB ARG 29 97.774 -8.840 1.725 222 2HB ARG 29 3HB ARG 29 99.197 -8.246 2.585 223 1HG ARG 29 2HG ARG 29 99.511 -10.428 3.645 224 2HG ARG 29 3HG ARG 29 98.041 -11.031 2.878 225 1HD ARG 29 2HD ARG 29 99.544 -9.973 0.772 226 2HD ARG 29 3HD ARG 29 100.728 -10.801 1.780 227 HE ARG 29 HE ARG 29 99.014 -12.127 0.026 228 1HH1 ARG 29 HH21 ARG 29 99.617 -12.105 3.424 229 2HH1 ARG 29 HH22 ARG 29 99.014 -13.709 3.670 230 1HH2 ARG 29 HH11 ARG 29 98.216 -14.212 0.336 231 2HH2 ARG 29 HH12 ARG 29 98.215 -14.898 1.928 232 H ASP 30 HN ASP 30 98.810 -6.531 4.517 233 HA ASP 30 HA ASP 30 96.750 -4.556 4.628 234 1HB ASP 30 2HB ASP 30 98.587 -2.937 4.669 235 2HB ASP 30 3HB ASP 30 98.993 -4.319 5.686 236 H GLY 31 HN GLY 31 96.766 -2.594 3.098 237 1HA GLY 31 2HA GLY 31 96.713 -1.674 0.915 238 2HA GLY 31 3HA GLY 31 97.656 -3.054 0.355 239 H THR 32 HN THR 32 95.678 -4.980 1.549 240 HA THR 32 HA THR 32 93.886 -5.008 -0.759 241 HB THR 32 HB THR 32 93.918 -6.843 1.650 242 HG1 THR 32 HG1 THR 32 95.707 -7.460 0.748 243 1HG2 THR 32 HG23 THR 32 92.133 -6.551 -0.578 244 2HG2 THR 32 HG22 THR 32 92.995 -8.082 -0.737 245 3HG2 THR 32 HG21 THR 32 92.076 -7.732 0.728 246 H PHE 33 HN PHE 33 91.947 -3.922 -0.766 247 HA PHE 33 HA PHE 33 90.540 -3.671 1.849 248 1HB PHE 33 2HB PHE 33 90.590 -1.415 1.849 249 2HB PHE 33 3HB PHE 33 91.853 -1.550 0.633 250 HD1 PHE 33 HD2 PHE 33 88.296 -0.908 1.254 251 HD2 PHE 33 HD1 PHE 33 91.342 -1.195 -1.761 252 HE1 PHE 33 HE2 PHE 33 86.795 0.177 -0.386 253 HE2 PHE 33 HE1 PHE 33 89.815 -0.099 -3.380 254 HZ PHE 33 HZ PHE 33 87.545 0.577 -2.684 255 H LEU 34 HN LEU 34 88.217 -2.969 1.533 256 HA LEU 34 HA LEU 34 87.105 -3.609 -1.134 257 1HB LEU 34 2HB LEU 34 85.563 -5.306 -0.222 258 2HB LEU 34 3HB LEU 34 87.244 -5.791 -0.021 259 HG LEU 34 HG LEU 34 85.970 -4.242 2.181 260 1HD1 LEU 34 HD11 LEU 34 85.444 -7.155 1.554 261 2HD1 LEU 34 HD13 LEU 34 85.190 -6.447 3.150 262 3HD1 LEU 34 HD12 LEU 34 84.250 -5.877 1.770 263 1HD2 LEU 34 HD21 LEU 34 87.995 -6.488 1.953 264 2HD2 LEU 34 HD23 LEU 34 88.313 -4.811 2.399 265 3HD2 LEU 34 HD22 LEU 34 87.418 -5.865 3.496 266 H VAL 35 HN VAL 35 84.766 -3.106 -1.263 267 HA VAL 35 HA VAL 35 84.027 -0.940 0.651 268 HB VAL 35 HB VAL 35 83.182 -1.450 -2.215 269 1HG1 VAL 35 HG13 VAL 35 81.764 -0.117 -0.090 270 2HG1 VAL 35 HG12 VAL 35 82.283 1.081 -1.278 271 3HG1 VAL 35 HG11 VAL 35 81.296 -0.289 -1.781 272 1HG2 VAL 35 HG21 VAL 35 84.772 0.706 -0.807 273 2HG2 VAL 35 HG23 VAL 35 85.342 -0.384 -2.071 274 3HG2 VAL 35 HG22 VAL 35 84.171 0.885 -2.450 275 H ARG 36 HN ARG 36 82.222 -1.216 1.904 276 HA ARG 36 HA ARG 36 80.225 -3.287 1.139 277 1HB ARG 36 2HB ARG 36 80.404 -4.442 3.254 278 2HB ARG 36 3HB ARG 36 82.039 -4.339 2.590 279 1HG ARG 36 2HG ARG 36 82.422 -2.279 3.945 280 2HG ARG 36 3HG ARG 36 80.831 -2.489 4.671 281 1HD ARG 36 2HD ARG 36 81.566 -4.750 5.477 282 2HD ARG 36 3HD ARG 36 83.187 -4.381 4.884 283 HE ARG 36 HE ARG 36 82.454 -2.207 6.501 284 1HH1 ARG 36 HH21 ARG 36 82.872 -5.608 6.787 285 2HH1 ARG 36 HH22 ARG 36 83.229 -5.555 8.480 286 1HH2 ARG 36 HH11 ARG 36 82.915 -2.108 8.695 287 2HH2 ARG 36 HH12 ARG 36 83.265 -3.566 9.562 288 H GLU 37 HN GLU 37 78.363 -3.185 2.901 289 HA GLU 37 HA GLU 37 78.130 -0.353 3.824 290 1HB GLU 37 2HB GLU 37 75.968 -2.144 2.685 291 2HB GLU 37 3HB GLU 37 75.698 -0.535 3.350 292 1HG GLU 37 2HG GLU 37 77.194 0.433 1.662 293 2HG GLU 37 3HG GLU 37 77.509 -1.178 1.007 294 H SER 38 HN SER 38 76.371 -0.198 5.594 295 HA SER 38 HA SER 38 77.011 -2.200 7.636 296 1HB SER 38 2HB SER 38 75.005 0.088 7.601 297 2HB SER 38 3HB SER 38 75.288 -0.947 8.996 298 HG SER 38 HG SER 38 76.942 0.259 9.419 299 H SER 39 HN SER 39 75.533 -2.578 4.981 300 HA SER 39 HA SER 39 74.215 -4.470 4.396 301 1HB SER 39 2HB SER 39 74.124 -5.049 6.922 302 2HB SER 39 3HB SER 39 72.642 -4.093 6.955 303 HG SER 39 HG SER 39 71.994 -5.468 5.115 304 H LYS 40 HN LYS 40 72.579 -4.086 2.969 305 HA LYS 40 HA LYS 40 70.810 -2.985 1.899 306 1HB LYS 40 2HB LYS 40 70.138 -2.014 4.700 307 2HB LYS 40 3HB LYS 40 69.068 -1.989 3.302 308 1HG LYS 40 2HG LYS 40 70.303 -4.567 4.257 309 2HG LYS 40 3HG LYS 40 68.818 -3.947 4.977 310 1HD LYS 40 2HD LYS 40 67.850 -3.796 2.653 311 2HD LYS 40 3HD LYS 40 69.285 -4.632 2.063 312 1HE LYS 40 2HE LYS 40 68.788 -6.577 3.410 313 2HE LYS 40 3HE LYS 40 67.473 -5.734 4.226 314 1HZ LYS 40 HZ1 LYS 40 67.064 -5.560 1.461 315 2HZ LYS 40 HZ3 LYS 40 67.368 -7.184 1.842 316 3HZ LYS 40 HZ2 LYS 40 66.107 -6.351 2.621 317 H GLN 41 HN GLN 41 69.779 -0.373 3.052 318 HA GLN 41 HA GLN 41 71.979 1.317 1.971 319 1HB GLN 41 2HB GLN 41 69.030 1.873 2.391 320 2HB GLN 41 3HB GLN 41 70.186 3.047 1.761 321 1HG GLN 41 2HG GLN 41 70.668 1.611 -0.151 322 2HG GLN 41 3HG GLN 41 69.613 0.350 0.497 323 1HE2 GLN 41 HE22 GLN 41 66.896 3.087 0.093 324 2HE2 GLN 41 HE21 GLN 41 67.774 2.666 1.482 325 H GLY 42 HN GLY 42 71.595 0.207 4.833 326 1HA GLY 42 2HA GLY 42 70.936 2.364 6.563 327 2HA GLY 42 3HA GLY 42 71.972 1.010 7.002 328 H CYS 43 HN CYS 43 74.177 1.284 5.461 329 HA CYS 43 HA CYS 43 75.089 4.062 5.390 330 1HB CYS 43 2HB CYS 43 75.271 3.552 7.799 331 2HB CYS 43 3HB CYS 43 76.275 2.148 7.422 332 HG CYS 43 HG CYS 43 77.157 5.109 6.925 333 H TYR 44 HN TYR 44 77.453 4.147 4.717 334 HA TYR 44 HA TYR 44 78.208 1.677 3.211 335 1HB TYR 44 2HB TYR 44 78.516 4.567 2.351 336 2HB TYR 44 3HB TYR 44 79.210 3.195 1.490 337 HD1 TYR 44 HD2 TYR 44 75.986 4.613 2.715 338 HD2 TYR 44 HD1 TYR 44 77.919 1.951 -0.049 339 HE1 TYR 44 HE2 TYR 44 73.830 4.269 1.540 340 HE2 TYR 44 HE1 TYR 44 75.761 1.608 -1.224 341 HH TYR 44 HH TYR 44 73.194 3.554 -0.965 342 H ALA 45 HN ALA 45 80.473 1.166 3.234 343 HA ALA 45 HA ALA 45 82.351 3.048 4.468 344 1HB ALA 45 HB1 ALA 45 81.600 0.474 5.887 345 2HB ALA 45 HB3 ALA 45 82.931 1.527 6.345 346 3HB ALA 45 HB2 ALA 45 81.276 2.109 6.464 347 H CYS 46 HN CYS 46 84.571 2.304 4.263 348 HA CYS 46 HA CYS 46 84.837 0.009 2.362 349 1HB CYS 46 2HB CYS 46 86.774 2.307 2.799 350 2HB CYS 46 3HB CYS 46 86.976 0.995 1.637 351 HG CYS 46 HG CYS 46 84.970 1.920 0.281 352 H SER 47 HN SER 47 85.825 -1.771 3.176 353 HA SER 47 HA SER 47 87.074 -1.521 5.838 354 1HB SER 47 2HB SER 47 85.431 -3.352 5.368 355 2HB SER 47 3HB SER 47 86.559 -4.003 4.198 356 HG SER 47 HG SER 47 87.349 -4.996 5.870 357 H VAL 48 HN VAL 48 89.263 -1.433 6.077 358 HA VAL 48 HA VAL 48 90.933 -2.359 3.775 359 HB VAL 48 HB VAL 48 91.430 0.003 5.612 360 1HG1 VAL 48 HG11 VAL 48 93.067 -1.435 3.594 361 2HG1 VAL 48 HG13 VAL 48 93.187 0.323 3.627 362 3HG1 VAL 48 HG12 VAL 48 93.563 -0.616 5.071 363 1HG2 VAL 48 HG22 VAL 48 89.744 -0.143 3.413 364 2HG2 VAL 48 HG21 VAL 48 90.455 1.333 4.066 365 3HG2 VAL 48 HG23 VAL 48 91.246 0.488 2.734 366 H VAL 49 HN VAL 49 93.187 -2.923 4.465 367 HA VAL 49 HA VAL 49 93.297 -3.863 7.301 368 HB VAL 49 HB VAL 49 94.470 -5.277 4.899 369 1HG1 VAL 49 HG13 VAL 49 95.173 -5.429 7.582 370 2HG1 VAL 49 HG12 VAL 49 94.051 -6.772 7.383 371 3HG1 VAL 49 HG11 VAL 49 95.489 -6.669 6.369 372 1HG2 VAL 49 HG21 VAL 49 91.814 -5.141 5.551 373 2HG2 VAL 49 HG23 VAL 49 92.562 -6.504 4.721 374 3HG2 VAL 49 HG22 VAL 49 92.325 -6.561 6.466 375 H VAL 50 HN VAL 50 95.140 -3.207 8.379 376 HA VAL 50 HA VAL 50 97.323 -2.104 6.666 377 HB VAL 50 HB VAL 50 95.995 -0.336 7.851 378 1HG1 VAL 50 HG13 VAL 50 95.545 -1.837 9.830 379 2HG1 VAL 50 HG12 VAL 50 97.199 -1.529 10.353 380 3HG1 VAL 50 HG11 VAL 50 96.046 -0.198 10.235 381 1HG2 VAL 50 HG23 VAL 50 98.636 -0.410 7.424 382 2HG2 VAL 50 HG22 VAL 50 97.877 0.930 8.279 383 3HG2 VAL 50 HG21 VAL 50 98.667 -0.359 9.186 384 H ASP 51 HN ASP 51 99.445 -2.246 7.591 385 HA ASP 51 HA ASP 51 100.189 -4.746 8.554 386 1HB ASP 51 2HB ASP 51 101.561 -2.067 8.885 387 2HB ASP 51 3HB ASP 51 102.317 -3.599 9.328 388 H GLY 52 HN GLY 52 98.749 -2.198 10.211 389 1HA GLY 52 2HA GLY 52 99.685 -3.031 12.862 390 2HA GLY 52 3HA GLY 52 98.546 -1.726 12.531 391 H GLU 53 HN GLU 53 96.429 -2.757 11.351 392 HA GLU 53 HA GLU 53 95.656 -5.368 12.441 393 1HB GLU 53 2HB GLU 53 94.547 -2.829 13.668 394 2HB GLU 53 3HB GLU 53 93.752 -4.391 13.818 395 1HG GLU 53 2HG GLU 53 96.466 -3.579 14.890 396 2HG GLU 53 3HG GLU 53 95.052 -4.099 15.800 397 H VAL 54 HN VAL 54 92.911 -5.095 12.457 398 HA VAL 54 HA VAL 54 92.319 -4.585 9.591 399 HB VAL 54 HB VAL 54 90.669 -5.869 11.798 400 1HG1 VAL 54 HG12 VAL 54 90.111 -5.425 8.853 401 2HG1 VAL 54 HG11 VAL 54 89.220 -6.582 9.843 402 3HG1 VAL 54 HG13 VAL 54 89.155 -4.862 10.225 403 1HG2 VAL 54 HG21 VAL 54 92.293 -6.952 9.487 404 2HG2 VAL 54 HG23 VAL 54 92.430 -7.357 11.198 405 3HG2 VAL 54 HG22 VAL 54 91.030 -7.903 10.272 406 H LYS 55 HN LYS 55 91.379 -2.643 9.036 407 HA LYS 55 HA LYS 55 89.870 -1.202 11.180 408 1HB LYS 55 2HB LYS 55 91.706 -0.118 9.040 409 2HB LYS 55 3HB LYS 55 90.594 0.901 9.950 410 1HG LYS 55 2HG LYS 55 92.486 1.071 11.273 411 2HG LYS 55 3HG LYS 55 91.699 -0.312 12.026 412 1HD LYS 55 2HD LYS 55 93.064 -1.830 10.612 413 2HD LYS 55 3HD LYS 55 93.886 -0.422 9.936 414 1HE LYS 55 2HE LYS 55 93.766 -0.946 12.915 415 2HE LYS 55 3HE LYS 55 95.070 -1.577 11.908 416 1HZ LYS 55 HZ1 LYS 55 95.031 0.965 11.131 417 2HZ LYS 55 HZ3 LYS 55 94.514 1.149 12.737 418 3HZ LYS 55 HZ2 LYS 55 96.000 0.394 12.406 419 H HIS 56 HN HIS 56 88.000 -0.069 10.549 420 HA HIS 56 HA HIS 56 86.948 -0.806 7.853 421 1HB HIS 56 2HB HIS 56 85.557 -0.359 10.496 422 2HB HIS 56 3HB HIS 56 84.685 -0.360 8.967 423 HD1 HIS 56 HD1 HIS 56 85.194 -2.572 11.577 424 HD2 HIS 56 HD2 HIS 56 85.786 -2.955 7.471 425 HE1 HIS 56 HE1 HIS 56 85.075 -5.049 11.064 426 H CYS 57 HN CYS 57 87.438 1.038 6.617 427 HA CYS 57 HA CYS 57 87.206 3.723 7.720 428 1HB CYS 57 2HB CYS 57 88.727 3.224 5.824 429 2HB CYS 57 3HB CYS 57 87.331 2.812 4.827 430 HG CYS 57 HG CYS 57 86.678 5.249 4.676 431 H VAL 58 HN VAL 58 85.363 4.932 7.846 432 HA VAL 58 HA VAL 58 82.854 3.694 6.935 433 HB VAL 58 HB VAL 58 83.307 4.829 9.212 434 1HG1 VAL 58 HG12 VAL 58 84.293 6.884 8.165 435 2HG1 VAL 58 HG11 VAL 58 82.690 7.291 7.545 436 3HG1 VAL 58 HG13 VAL 58 82.979 7.235 9.285 437 1HG2 VAL 58 HG21 VAL 58 80.918 5.035 7.447 438 2HG2 VAL 58 HG23 VAL 58 81.074 4.308 9.047 439 3HG2 VAL 58 HG22 VAL 58 80.909 6.057 8.885 440 H ILE 59 HN ILE 59 81.525 4.455 5.347 441 HA ILE 59 HA ILE 59 82.329 6.956 3.923 442 HB ILE 59 HB ILE 59 81.241 4.385 2.728 443 1HG1 ILE 59 HG12 ILE 59 83.720 4.532 3.467 444 2HG1 ILE 59 HG11 ILE 59 83.390 4.017 1.814 445 1HG2 ILE 59 HG21 ILE 59 82.011 7.018 1.440 446 2HG2 ILE 59 HG23 ILE 59 81.579 5.550 0.564 447 3HG2 ILE 59 HG22 ILE 59 80.383 6.359 1.574 448 1HD1 ILE 59 HD11 ILE 59 84.015 6.878 2.603 449 2HD1 ILE 59 HD13 ILE 59 85.210 5.740 1.992 450 3HD1 ILE 59 HD12 ILE 59 83.869 6.238 0.969 451 H ASN 60 HN ASN 60 80.704 8.425 4.416 452 HA ASN 60 HA ASN 60 77.912 7.307 4.486 453 1HB ASN 60 2HB ASN 60 79.113 9.617 6.021 454 2HB ASN 60 3HB ASN 60 77.401 9.192 6.045 455 1HD2 ASN 60 HD22 ASN 60 79.053 7.444 8.913 456 2HD2 ASN 60 HD21 ASN 60 78.844 9.070 8.462 457 H LYS 61 HN LYS 61 76.194 9.045 4.044 458 HA LYS 61 HA LYS 61 77.203 10.906 1.962 459 1HB LYS 61 2HB LYS 61 75.359 10.365 0.526 460 2HB LYS 61 3HB LYS 61 75.982 8.815 1.097 461 1HG LYS 61 2HG LYS 61 74.249 9.048 3.007 462 2HG LYS 61 3HG LYS 61 73.496 10.268 1.981 463 1HD LYS 61 2HD LYS 61 74.156 7.494 0.978 464 2HD LYS 61 3HD LYS 61 72.598 7.902 1.706 465 1HE LYS 61 2HE LYS 61 73.826 9.166 -0.759 466 2HE LYS 61 3HE LYS 61 72.401 8.130 -0.705 467 1HZ LYS 61 HZ2 LYS 61 72.032 10.213 1.118 468 2HZ LYS 61 HZ1 LYS 61 72.549 10.904 -0.342 469 3HZ LYS 61 HZ3 LYS 61 71.173 9.913 -0.319 470 H THR 62 HN THR 62 76.556 11.335 4.825 471 HA THR 62 HA THR 62 73.978 12.710 4.883 472 HB THR 62 HB THR 62 74.651 13.392 7.165 473 HG1 THR 62 HG1 THR 62 76.713 13.615 7.407 474 1HG2 THR 62 HG22 THR 62 75.230 10.493 6.498 475 2HG2 THR 62 HG21 THR 62 74.916 11.107 8.120 476 3HG2 THR 62 HG23 THR 62 73.652 11.184 6.890 477 H ALA 63 HN ALA 63 74.326 15.108 6.047 478 HA ALA 63 HA ALA 63 75.154 16.812 3.927 479 1HB ALA 63 HB1 ALA 63 73.633 17.366 5.927 480 2HB ALA 63 HB3 ALA 63 75.123 17.653 6.828 481 3HB ALA 63 HB2 ALA 63 74.746 18.626 5.402 482 H THR 64 HN THR 64 76.956 15.419 6.595 483 HA THR 64 HA THR 64 79.253 17.171 6.265 484 HB THR 64 HB THR 64 80.308 15.570 7.829 485 HG1 THR 64 HG1 THR 64 78.498 13.957 6.824 486 1HG2 THR 64 HG21 THR 64 78.532 17.393 8.474 487 2HG2 THR 64 HG23 THR 64 77.532 15.992 8.863 488 3HG2 THR 64 HG22 THR 64 79.074 16.233 9.686 489 H GLY 65 HN GLY 65 77.972 14.656 4.457 490 1HA GLY 65 2HA GLY 65 78.890 13.687 2.498 491 2HA GLY 65 3HA GLY 65 80.443 14.424 2.907 492 H TYR 66 HN TYR 66 80.555 11.824 2.067 493 HA TYR 66 HA TYR 66 80.215 9.908 4.127 494 1HB TYR 66 2HB TYR 66 82.363 9.003 2.541 495 2HB TYR 66 3HB TYR 66 80.665 8.591 2.333 496 HD1 TYR 66 HD2 TYR 66 83.230 11.165 1.440 497 HD2 TYR 66 HD1 TYR 66 79.452 9.366 0.474 498 HE1 TYR 66 HE2 TYR 66 83.167 12.435 -0.690 499 HE2 TYR 66 HE1 TYR 66 79.389 10.634 -1.653 500 HH TYR 66 HH TYR 66 81.137 13.255 -2.278 501 H GLY 67 HN GLY 67 81.608 12.293 5.016 502 1HA GLY 67 2HA GLY 67 83.183 12.531 6.798 503 2HA GLY 67 3HA GLY 67 83.832 10.935 6.393 504 H PHE 68 HN PHE 68 84.294 11.286 3.644 505 HA PHE 68 HA PHE 68 86.675 13.031 3.763 506 1HB PHE 68 2HB PHE 68 85.692 11.031 1.716 507 2HB PHE 68 3HB PHE 68 87.149 12.002 1.497 508 HD1 PHE 68 HD2 PHE 68 89.103 11.703 2.996 509 HD2 PHE 68 HD1 PHE 68 85.617 9.213 3.304 510 HE1 PHE 68 HE2 PHE 68 90.388 10.075 4.359 511 HE2 PHE 68 HE1 PHE 68 86.900 7.586 4.668 512 HZ PHE 68 HZ PHE 68 89.289 8.014 5.192 513 H ALA 69 HN ALA 69 83.471 13.380 2.840 514 HA ALA 69 HA ALA 69 84.057 15.322 0.638 515 1HB ALA 69 HB2 ALA 69 81.783 13.627 1.414 516 2HB ALA 69 HB1 ALA 69 81.314 15.278 1.021 517 3HB ALA 69 HB3 ALA 69 82.186 14.304 -0.157 518 H GLU 70 HN GLU 70 83.994 15.397 3.921 519 HA GLU 70 HA GLU 70 82.205 17.518 4.520 520 1HB GLU 70 2HB GLU 70 83.393 16.126 6.242 521 2HB GLU 70 3HB GLU 70 84.874 17.013 5.876 522 1HG GLU 70 2HG GLU 70 83.834 19.116 6.513 523 2HG GLU 70 3HG GLU 70 82.284 18.310 6.760 524 HA PRO 71 HA PRO 71 85.939 20.363 3.299 525 1HB PRO 71 2HB PRO 71 87.323 18.819 1.225 526 2HB PRO 71 3HB PRO 71 87.997 19.600 2.669 527 1HG PRO 71 2HG PRO 71 87.862 16.928 2.410 528 2HG PRO 71 3HG PRO 71 87.700 17.746 3.974 529 1HD PRO 71 2HD PRO 71 85.531 16.639 2.202 530 2HD PRO 71 3HD PRO 71 85.706 16.525 3.969 531 H TYR 72 HN TYR 72 86.382 21.509 1.084 532 HA TYR 72 HA TYR 72 83.927 21.708 -0.369 533 1HB TYR 72 2HB TYR 72 86.739 22.594 -1.070 534 2HB TYR 72 3HB TYR 72 85.317 23.011 -2.027 535 HD1 TYR 72 HD2 TYR 72 83.578 24.502 -1.129 536 HD2 TYR 72 HD1 TYR 72 87.112 23.555 1.120 537 HE1 TYR 72 HE2 TYR 72 83.101 26.383 0.411 538 HE2 TYR 72 HE1 TYR 72 86.638 25.438 2.660 539 HH TYR 72 HH TYR 72 85.400 27.550 2.647 540 H ASN 73 HN ASN 73 86.423 19.376 -0.545 541 HA ASN 73 HA ASN 73 85.733 18.722 -3.364 542 1HB ASN 73 2HB ASN 73 88.145 18.876 -2.710 543 2HB ASN 73 3HB ASN 73 87.895 17.502 -1.631 544 1HD2 ASN 73 HD22 ASN 73 89.004 15.769 -4.606 545 2HD2 ASN 73 HD21 ASN 73 89.603 16.530 -3.211 546 H LEU 74 HN LEU 74 83.877 17.578 -3.336 547 HA LEU 74 HA LEU 74 83.606 15.279 -1.485 548 1HB LEU 74 2HB LEU 74 81.558 16.795 -3.136 549 2HB LEU 74 3HB LEU 74 81.186 15.386 -2.147 550 HG LEU 74 HG LEU 74 82.400 16.795 -0.256 551 1HD1 LEU 74 HD11 LEU 74 82.754 18.594 -2.208 552 2HD1 LEU 74 HD13 LEU 74 81.148 19.097 -1.687 553 3HD1 LEU 74 HD12 LEU 74 82.483 19.083 -0.536 554 1HD2 LEU 74 HD23 LEU 74 79.915 16.069 -0.515 555 2HD2 LEU 74 HD22 LEU 74 80.271 17.427 0.548 556 3HD2 LEU 74 HD21 LEU 74 79.646 17.718 -1.075 557 H TYR 75 HN TYR 75 84.861 15.812 -4.402 558 HA TYR 75 HA TYR 75 85.245 14.488 -6.295 559 1HB TYR 75 2HB TYR 75 84.018 12.279 -4.609 560 2HB TYR 75 3HB TYR 75 85.017 12.067 -6.048 561 HD1 TYR 75 HD2 TYR 75 84.998 13.094 -2.507 562 HD2 TYR 75 HD1 TYR 75 87.419 12.456 -5.997 563 HE1 TYR 75 HE2 TYR 75 87.043 13.244 -1.115 564 HE2 TYR 75 HE1 TYR 75 89.461 12.612 -4.605 565 HH TYR 75 HH TYR 75 89.271 13.394 -1.143 566 H SER 76 HN SER 76 83.943 12.938 -7.884 567 HA SER 76 HA SER 76 81.203 14.102 -8.047 568 1HB SER 76 2HB SER 76 82.665 14.510 -9.991 569 2HB SER 76 3HB SER 76 82.887 12.774 -10.192 570 HG SER 76 HG SER 76 80.602 12.630 -10.473 571 H SER 77 HN SER 77 82.912 10.994 -8.545 572 HA SER 77 HA SER 77 80.331 9.636 -7.880 573 1HB SER 77 2HB SER 77 82.421 8.788 -9.900 574 2HB SER 77 3HB SER 77 81.019 7.827 -9.446 575 HG SER 77 HG SER 77 79.868 9.932 -10.019 576 H LEU 78 HN LEU 78 80.547 7.598 -6.777 577 HA LEU 78 HA LEU 78 82.499 7.524 -4.708 578 1HB LEU 78 2HB LEU 78 80.679 5.392 -5.857 579 2HB LEU 78 3HB LEU 78 81.675 5.131 -4.425 580 HG LEU 78 HG LEU 78 79.681 7.394 -4.697 581 1HD1 LEU 78 HD12 LEU 78 79.121 4.668 -4.410 582 2HD1 LEU 78 HD11 LEU 78 79.045 5.306 -2.766 583 3HD1 LEU 78 HD13 LEU 78 78.032 6.004 -4.030 584 1HD2 LEU 78 HD21 LEU 78 81.523 6.378 -2.553 585 2HD2 LEU 78 HD23 LEU 78 81.177 8.041 -3.027 586 3HD2 LEU 78 HD22 LEU 78 79.998 7.132 -2.083 587 H LYS 79 HN LYS 79 82.429 6.012 -7.902 588 HA LYS 79 HA LYS 79 84.532 4.146 -7.589 589 1HB LYS 79 2HB LYS 79 83.647 5.800 -9.964 590 2HB LYS 79 3HB LYS 79 84.884 4.547 -10.079 591 1HG LYS 79 2HG LYS 79 83.347 2.846 -9.362 592 2HG LYS 79 3HG LYS 79 82.124 4.049 -8.941 593 1HD LYS 79 2HD LYS 79 81.911 4.693 -11.293 594 2HD LYS 79 3HD LYS 79 83.180 3.553 -11.737 595 1HE LYS 79 2HE LYS 79 80.607 2.746 -10.362 596 2HE LYS 79 3HE LYS 79 80.849 2.674 -12.105 597 1HZ LYS 79 HZ2 LYS 79 82.997 1.462 -10.669 598 2HZ LYS 79 HZ1 LYS 79 81.506 0.732 -10.303 599 3HZ LYS 79 HZ3 LYS 79 82.034 0.822 -11.913 600 H GLU 80 HN GLU 80 84.655 7.605 -8.444 601 HA GLU 80 HA GLU 80 87.516 7.693 -8.730 602 1HB GLU 80 2HB GLU 80 85.547 9.886 -8.013 603 2HB GLU 80 3HB GLU 80 87.225 10.148 -8.496 604 1HG GLU 80 2HG GLU 80 86.807 9.168 -10.672 605 2HG GLU 80 3HG GLU 80 85.175 8.700 -10.192 606 H LEU 81 HN LEU 81 85.323 7.918 -5.986 607 HA LEU 81 HA LEU 81 87.136 9.026 -4.083 608 1HB LEU 81 2HB LEU 81 84.693 8.730 -3.675 609 2HB LEU 81 3HB LEU 81 84.937 6.989 -3.582 610 HG LEU 81 HG LEU 81 86.560 8.834 -1.837 611 1HD1 LEU 81 HD13 LEU 81 83.789 7.774 -1.199 612 2HD1 LEU 81 HD12 LEU 81 84.854 8.611 -0.068 613 3HD1 LEU 81 HD11 LEU 81 84.205 9.469 -1.463 614 1HD2 LEU 81 HD21 LEU 81 85.853 5.933 -1.953 615 2HD2 LEU 81 HD23 LEU 81 87.377 6.704 -1.511 616 3HD2 LEU 81 HD22 LEU 81 86.051 6.650 -0.354 617 H VAL 82 HN VAL 82 86.568 5.678 -5.129 618 HA VAL 82 HA VAL 82 88.374 4.452 -3.255 619 HB VAL 82 HB VAL 82 87.432 3.547 -5.993 620 1HG1 VAL 82 HG11 VAL 82 89.024 2.159 -3.828 621 2HG1 VAL 82 HG13 VAL 82 88.100 1.260 -5.034 622 3HG1 VAL 82 HG12 VAL 82 89.419 2.316 -5.541 623 1HG2 VAL 82 HG22 VAL 82 86.370 3.375 -3.213 624 2HG2 VAL 82 HG21 VAL 82 85.502 3.478 -4.742 625 3HG2 VAL 82 HG23 VAL 82 86.191 1.942 -4.222 626 H LEU 83 HN LEU 83 88.775 5.567 -6.613 627 HA LEU 83 HA LEU 83 91.511 4.736 -6.876 628 1HB LEU 83 2HB LEU 83 89.875 6.840 -8.309 629 2HB LEU 83 3HB LEU 83 91.519 6.402 -8.783 630 HG LEU 83 HG LEU 83 89.211 4.447 -8.574 631 1HD1 LEU 83 HD12 LEU 83 90.280 6.133 -10.795 632 2HD1 LEU 83 HD11 LEU 83 89.795 4.481 -11.184 633 3HD1 LEU 83 HD13 LEU 83 88.627 5.603 -10.484 634 1HD2 LEU 83 HD23 LEU 83 92.125 4.254 -9.272 635 2HD2 LEU 83 HD22 LEU 83 91.134 3.155 -8.314 636 3HD2 LEU 83 HD21 LEU 83 90.982 3.176 -10.072 637 H HIS 84 HN HIS 84 90.044 7.847 -5.954 638 HA HIS 84 HA HIS 84 92.458 9.331 -5.800 639 1HB HIS 84 2HB HIS 84 90.165 10.305 -5.687 640 2HB HIS 84 3HB HIS 84 89.998 9.640 -4.062 641 HD1 HIS 84 HD1 HIS 84 92.424 11.898 -5.961 642 HD2 HIS 84 HD2 HIS 84 90.924 11.347 -2.113 643 HE1 HIS 84 HE1 HIS 84 93.389 13.763 -4.543 644 H TYR 85 HN TYR 85 90.844 7.299 -3.354 645 HA TYR 85 HA TYR 85 92.694 7.961 -1.246 646 1HB TYR 85 2HB TYR 85 90.953 5.510 -1.639 647 2HB TYR 85 3HB TYR 85 91.833 5.889 -0.161 648 HD1 TYR 85 HD2 TYR 85 90.832 8.970 -1.603 649 HD2 TYR 85 HD1 TYR 85 89.281 5.615 0.602 650 HE1 TYR 85 HE2 TYR 85 88.950 10.356 -0.813 651 HE2 TYR 85 HE1 TYR 85 87.396 7.019 1.388 652 HH TYR 85 HH TYR 85 86.974 10.345 0.234 653 H GLN 86 HN GLN 86 92.837 5.818 -3.976 654 HA GLN 86 HA GLN 86 94.870 4.016 -3.077 655 1HB GLN 86 2HB GLN 86 93.613 3.677 -5.183 656 2HB GLN 86 3HB GLN 86 94.392 5.100 -5.873 657 1HG GLN 86 2HG GLN 86 96.543 4.078 -5.819 658 2HG GLN 86 3HG GLN 86 95.974 2.764 -4.794 659 1HE2 GLN 86 HE22 GLN 86 95.798 2.287 -8.748 660 2HE2 GLN 86 HE21 GLN 86 96.747 3.461 -7.972 661 H HIS 87 HN HIS 87 95.024 7.270 -4.468 662 HA HIS 87 HA HIS 87 97.979 7.215 -4.419 663 1HB HIS 87 2HB HIS 87 96.049 9.416 -5.215 664 2HB HIS 87 3HB HIS 87 97.797 9.453 -5.439 665 HD1 HIS 87 HD1 HIS 87 98.767 7.391 -6.963 666 HD2 HIS 87 HD2 HIS 87 94.700 8.225 -7.324 667 HE1 HIS 87 HE1 HIS 87 97.996 6.283 -9.107 668 H THR 88 HN THR 88 95.362 8.154 -2.409 669 HA THR 88 HA THR 88 97.101 10.004 -0.844 670 HB THR 88 HB THR 88 94.147 9.393 -0.498 671 HG1 THR 88 HG1 THR 88 95.569 11.267 -2.025 672 1HG2 THR 88 HG23 THR 88 95.899 10.555 1.272 673 2HG2 THR 88 HG22 THR 88 95.261 11.957 0.411 674 3HG2 THR 88 HG21 THR 88 94.161 10.851 1.233 675 H SER 89 HN SER 89 97.990 9.322 1.040 676 HA SER 89 HA SER 89 97.543 6.559 1.894 677 1HB SER 89 2HB SER 89 99.800 7.592 1.925 678 2HB SER 89 3HB SER 89 99.238 8.738 3.138 679 HG SER 89 HG SER 89 99.724 7.239 4.524 680 H LEU 90 HN LEU 90 96.269 5.912 3.554 681 HA LEU 90 HA LEU 90 94.445 7.767 4.803 682 1HB LEU 90 2HB LEU 90 95.107 4.856 5.306 683 2HB LEU 90 3HB LEU 90 93.871 5.723 6.222 684 HG LEU 90 HG LEU 90 93.895 5.613 3.198 685 1HD1 LEU 90 HD13 LEU 90 92.828 3.687 5.221 686 2HD1 LEU 90 HD12 LEU 90 91.835 4.026 3.800 687 3HD1 LEU 90 HD11 LEU 90 93.463 3.379 3.602 688 1HD2 LEU 90 HD22 LEU 90 92.399 7.064 5.163 689 2HD2 LEU 90 HD21 LEU 90 92.216 7.089 3.405 690 3HD2 LEU 90 HD23 LEU 90 91.312 5.919 4.370 691 H VAL 91 HN VAL 91 97.657 6.910 5.475 692 HA VAL 91 HA VAL 91 98.115 6.799 8.177 693 HB VAL 91 HB VAL 91 99.854 7.127 6.379 694 1HG1 VAL 91 HG11 VAL 91 98.461 9.364 5.744 695 2HG1 VAL 91 HG13 VAL 91 99.700 10.070 6.782 696 3HG1 VAL 91 HG12 VAL 91 100.166 9.153 5.349 697 1HG2 VAL 91 HG23 VAL 91 99.841 8.605 8.997 698 2HG2 VAL 91 HG22 VAL 91 100.770 7.179 8.527 699 3HG2 VAL 91 HG21 VAL 91 101.230 8.770 7.921 700 H GLN 92 HN GLN 92 96.883 9.598 6.430 701 HA GLN 92 HA GLN 92 97.130 11.498 8.551 702 1HB GLN 92 2HB GLN 92 96.718 12.081 6.172 703 2HB GLN 92 3HB GLN 92 95.089 11.414 6.315 704 1HG GLN 92 2HG GLN 92 94.535 13.038 8.047 705 2HG GLN 92 3HG GLN 92 96.185 13.667 8.020 706 1HE2 GLN 92 HE22 GLN 92 95.736 15.197 4.746 707 2HE2 GLN 92 HE21 GLN 92 96.890 14.309 5.617 708 H HIS 93 HN HIS 93 94.279 9.543 7.528 709 HA HIS 93 HA HIS 93 92.498 10.490 9.495 710 1HB HIS 93 2HB HIS 93 91.904 8.856 7.688 711 2HB HIS 93 3HB HIS 93 92.780 7.608 8.570 712 HD1 HIS 93 HD1 HIS 93 89.914 10.053 9.136 713 HD2 HIS 93 HD2 HIS 93 91.225 6.331 10.480 714 HE1 HIS 93 HE1 HIS 93 88.124 9.188 10.708 715 H ASN 94 HN ASN 94 94.882 7.893 9.642 716 HA ASN 94 HA ASN 94 94.982 8.229 12.608 717 1HB ASN 94 2HB ASN 94 93.916 6.032 11.804 718 2HB ASN 94 3HB ASN 94 95.502 5.633 11.145 719 1HD2 ASN 94 HD22 ASN 94 94.992 5.721 15.212 720 2HD2 ASN 94 HD21 ASN 94 93.888 6.533 14.213 721 H ASP 95 HN ASP 95 96.944 9.256 12.900 722 HA ASP 95 HA ASP 95 98.999 9.653 11.167 723 1HB ASP 95 2HB ASP 95 99.215 8.966 14.107 724 2HB ASP 95 3HB ASP 95 100.597 9.503 13.153 725 H SER 96 HN SER 96 98.162 6.570 12.539 726 HA SER 96 HA SER 96 100.608 5.444 11.278 727 1HB SER 96 2HB SER 96 98.791 4.250 13.387 728 2HB SER 96 3HB SER 96 100.174 3.428 12.676 729 HG SER 96 HG SER 96 100.309 4.842 14.756 730 H LEU 97 HN LEU 97 98.047 6.191 9.831 731 HA LEU 97 HA LEU 97 97.168 3.441 9.036 732 1HB LEU 97 2HB LEU 97 95.898 6.075 9.029 733 2HB LEU 97 3HB LEU 97 95.768 5.280 7.464 734 HG LEU 97 HG LEU 97 95.096 3.840 10.033 735 1HD1 LEU 97 HD12 LEU 97 93.726 5.968 9.655 736 2HD1 LEU 97 HD11 LEU 97 93.118 5.205 8.190 737 3HD1 LEU 97 HD13 LEU 97 92.800 4.472 9.760 738 1HD2 LEU 97 HD23 LEU 97 94.396 3.434 7.108 739 2HD2 LEU 97 HD22 LEU 97 95.479 2.430 8.077 740 3HD2 LEU 97 HD21 LEU 97 93.753 2.463 8.435 741 H ASN 98 HN ASN 98 99.561 3.409 8.188 742 HA ASN 98 HA ASN 98 100.019 4.933 5.739 743 1HB ASN 98 2HB ASN 98 101.824 4.251 7.323 744 2HB ASN 98 3HB ASN 98 101.550 2.570 6.854 745 1HD2 ASN 98 HD21 ASN 98 100.953 4.621 4.218 746 2HD2 ASN 98 HD22 ASN 98 102.449 4.464 3.440 747 H VAL 99 HN VAL 99 97.973 4.122 4.719 748 HA VAL 99 HA VAL 99 98.581 1.767 3.051 749 HB VAL 99 HB VAL 99 96.116 1.934 4.805 750 1HG1 VAL 99 HG13 VAL 99 96.897 0.189 2.493 751 2HG1 VAL 99 HG12 VAL 99 95.883 -0.466 3.776 752 3HG1 VAL 99 HG11 VAL 99 95.340 0.930 2.851 753 1HG2 VAL 99 HG23 VAL 99 98.471 0.024 4.780 754 2HG2 VAL 99 HG22 VAL 99 98.084 1.193 6.043 755 3HG2 VAL 99 HG21 VAL 99 97.017 -0.177 5.758 756 H THR 100 HN THR 100 97.248 1.694 1.163 757 HA THR 100 HA THR 100 95.463 4.047 0.734 758 HB THR 100 HB THR 100 96.420 4.386 -1.491 759 HG1 THR 100 HG1 THR 100 98.201 2.305 -0.758 760 1HG2 THR 100 HG22 THR 100 98.173 4.454 0.916 761 2HG2 THR 100 HG21 THR 100 98.941 4.720 -0.644 762 3HG2 THR 100 HG23 THR 100 97.629 5.772 -0.119 763 H LEU 101 HN LEU 101 93.835 3.610 -0.987 764 HA LEU 101 HA LEU 101 93.022 0.798 -0.958 765 1HB LEU 101 2HB LEU 101 91.897 3.075 -2.624 766 2HB LEU 101 3HB LEU 101 91.125 1.522 -2.304 767 HG LEU 101 HG LEU 101 91.632 3.788 -0.396 768 1HD1 LEU 101 HD12 LEU 101 89.306 2.435 -1.604 769 2HD1 LEU 101 HD11 LEU 101 89.156 2.751 0.121 770 3HD1 LEU 101 HD13 LEU 101 89.458 4.079 -0.996 771 1HD2 LEU 101 HD23 LEU 101 91.188 0.878 0.241 772 2HD2 LEU 101 HD22 LEU 101 92.470 1.932 0.832 773 3HD2 LEU 101 HD21 LEU 101 90.813 2.161 1.387 774 H ALA 102 HN ALA 102 95.198 0.182 -1.977 775 HA ALA 102 HA ALA 102 95.240 0.731 -4.894 776 1HB ALA 102 HB3 ALA 102 97.298 1.149 -3.583 777 2HB ALA 102 HB2 ALA 102 97.344 -0.558 -3.143 778 3HB ALA 102 HB1 ALA 102 97.541 -0.079 -4.827 779 H TYR 103 HN TYR 103 95.004 -2.037 -2.643 780 HA TYR 103 HA TYR 103 94.807 -3.752 -5.082 781 1HB TYR 103 2HB TYR 103 95.561 -4.482 -2.252 782 2HB TYR 103 3HB TYR 103 95.381 -5.638 -3.573 783 HD1 TYR 103 HD1 TYR 103 96.911 -5.582 -5.520 784 HD2 TYR 103 HD2 TYR 103 97.444 -2.981 -2.143 785 HE1 TYR 103 HE1 TYR 103 99.217 -5.073 -6.278 786 HE2 TYR 103 HE2 TYR 103 99.749 -2.472 -2.900 787 HH TYR 103 HH TYR 103 101.373 -4.288 -5.195 788 HA PRO 104 HA PRO 104 90.434 -3.999 -3.821 789 1HB PRO 104 2HB PRO 104 90.295 -5.782 -6.165 790 2HB PRO 104 3HB PRO 104 89.397 -4.297 -5.825 791 1HG PRO 104 2HG PRO 104 91.354 -4.482 -7.689 792 2HG PRO 104 3HG PRO 104 90.917 -2.981 -6.861 793 1HD PRO 104 2HD PRO 104 93.304 -4.704 -6.489 794 2HD PRO 104 3HD PRO 104 93.094 -2.969 -6.172 795 H VAL 105 HN VAL 105 89.298 -5.756 -2.814 796 HA VAL 105 HA VAL 105 90.929 -7.941 -1.875 797 HB VAL 105 HB VAL 105 88.904 -6.925 -0.713 798 1HG1 VAL 105 HG11 VAL 105 87.448 -7.063 -2.766 799 2HG1 VAL 105 HG13 VAL 105 87.417 -8.812 -2.552 800 3HG1 VAL 105 HG12 VAL 105 86.714 -7.765 -1.322 801 1HG2 VAL 105 HG21 VAL 105 90.011 -9.441 -0.554 802 2HG2 VAL 105 HG23 VAL 105 88.824 -8.785 0.573 803 3HG2 VAL 105 HG22 VAL 105 88.298 -9.801 -0.769 804 H TYR 106 HN TYR 106 88.575 -7.577 -4.481 805 HA TYR 106 HA TYR 106 89.060 -10.414 -5.262 806 1HB TYR 106 2HB TYR 106 86.779 -8.523 -5.777 807 2HB TYR 106 3HB TYR 106 87.022 -9.933 -6.800 808 HD1 TYR 106 HD1 TYR 106 87.481 -12.196 -5.451 809 HD2 TYR 106 HD2 TYR 106 85.437 -8.761 -3.873 810 HE1 TYR 106 HE1 TYR 106 86.397 -13.627 -3.741 811 HE2 TYR 106 HE2 TYR 106 84.352 -10.197 -2.164 812 HH TYR 106 HH TYR 106 84.112 -13.406 -2.336 813 H ALA 107 HN ALA 107 91.065 -8.432 -5.830 814 HA ALA 107 HA ALA 107 90.723 -7.662 -8.652 815 1HB ALA 107 HB2 ALA 107 92.238 -6.624 -6.601 816 2HB ALA 107 HB1 ALA 107 93.439 -7.527 -7.518 817 3HB ALA 107 HB3 ALA 107 92.489 -6.271 -8.310 818 H GLN 108 HN GLN 108 91.049 -9.132 -10.233 819 HA GLN 108 HA GLN 108 91.820 -11.058 -11.339 820 1HB GLN 108 2HB GLN 108 94.356 -10.184 -9.916 821 2HB GLN 108 3HB GLN 108 94.293 -11.360 -11.233 822 1HG GLN 108 2HG GLN 108 93.090 -8.620 -11.576 823 2HG GLN 108 3HG GLN 108 94.820 -8.875 -11.809 824 1HE2 GLN 108 HE22 GLN 108 94.209 -9.883 -15.117 825 2HE2 GLN 108 HE21 GLN 108 95.124 -8.942 -14.040 826 H GLN 109 HN GLN 109 90.459 -11.745 -8.992 827 HA GLN 109 HA GLN 109 92.221 -13.795 -7.734 828 1HB GLN 109 2HB GLN 109 89.561 -12.647 -6.858 829 2HB GLN 109 3HB GLN 109 90.386 -13.969 -6.032 830 1HG GLN 109 2HG GLN 109 92.432 -12.334 -6.025 831 2HG GLN 109 3HG GLN 109 91.203 -11.090 -6.268 832 1HE2 GLN 109 HE22 GLN 109 91.769 -12.365 -2.574 833 2HE2 GLN 109 HE21 GLN 109 92.911 -12.444 -3.828 834 H ARG 110 HN ARG 110 91.840 -15.929 -8.031 835 HA ARG 110 HA ARG 110 90.204 -16.849 -10.171 836 1HB ARG 110 2HB ARG 110 91.464 -18.299 -7.828 837 2HB ARG 110 3HB ARG 110 90.643 -19.129 -9.154 838 1HG ARG 110 2HG ARG 110 92.186 -18.151 -10.775 839 2HG ARG 110 3HG ARG 110 92.966 -17.209 -9.504 840 1HD ARG 110 2HD ARG 110 93.644 -19.299 -8.376 841 2HD ARG 110 3HD ARG 110 92.887 -20.236 -9.665 842 HE ARG 110 HE ARG 110 94.649 -18.584 -11.014 843 1HH1 ARG 110 HH21 ARG 110 94.795 -20.782 -8.370 844 2HH1 ARG 110 HH22 ARG 110 96.442 -21.233 -8.656 845 1HH2 ARG 110 HH11 ARG 110 96.811 -19.150 -11.405 846 2HH2 ARG 110 HH12 ARG 110 97.586 -20.306 -10.370 847 H ARG 111 HN ARG 111 89.563 -16.626 -6.681 848 HA ARG 111 HA ARG 111 86.880 -17.831 -7.131 849 1HB ARG 111 2HB ARG 111 88.198 -18.633 -5.182 850 2HB ARG 111 3HB ARG 111 88.213 -16.990 -4.537 851 1HG ARG 111 2HG ARG 111 86.365 -17.834 -3.417 852 2HG ARG 111 3HG ARG 111 85.582 -17.203 -4.866 853 1HD ARG 111 2HD ARG 111 86.541 -20.063 -4.606 854 2HD ARG 111 3HD ARG 111 84.893 -19.553 -4.251 855 HE ARG 111 HE ARG 111 85.401 -18.578 -6.813 856 1HH1 ARG 111 HH21 ARG 111 85.495 -21.601 -5.168 857 2HH1 ARG 111 HH22 ARG 111 85.127 -22.535 -6.582 858 1HH2 ARG 111 HH11 ARG 111 84.911 -19.771 -8.668 859 2HH2 ARG 111 HH12 ARG 111 84.797 -21.497 -8.565 No H/Q in entry = 859
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