NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
503333 | 2ect | 11162 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 7.861 -41.487 4.655 2 HA2 GLY 1 1HA GLY 1 5.976 -40.577 5.709 3 HA3 GLY 1 2HA GLY 1 7.037 -39.633 6.744 4 H SER 2 H SER 2 6.197 -37.631 6.462 5 HA SER 2 HA SER 2 5.573 -36.643 3.814 6 HB2 SER 2 1HB SER 2 4.285 -36.100 5.972 7 HB3 SER 2 2HB SER 2 5.613 -35.000 6.342 8 HG SER 2 HG SER 2 3.850 -34.921 4.126 9 H SER 3 H SER 3 7.086 -35.870 2.516 10 HA SER 3 HA SER 3 9.305 -34.334 3.692 11 HB2 SER 3 1HB SER 3 9.388 -36.609 1.765 12 HB3 SER 3 2HB SER 3 10.548 -35.300 1.544 13 HG SER 3 HG SER 3 11.629 -36.082 3.153 14 H GLY 4 H GLY 4 9.213 -32.299 3.029 15 HA2 GLY 4 1HA GLY 4 9.354 -31.394 0.443 16 HA3 GLY 4 2HA GLY 4 7.632 -31.503 0.777 17 H SER 5 H SER 5 9.288 -29.147 0.236 18 HA SER 5 HA SER 5 8.269 -27.480 2.335 19 HB2 SER 5 1HB SER 5 10.345 -26.597 3.158 20 HB3 SER 5 2HB SER 5 10.435 -28.353 3.290 21 HG SER 5 HG SER 5 11.985 -28.384 1.856 22 H SER 6 H SER 6 8.785 -25.152 1.925 23 HA SER 6 HA SER 6 9.352 -24.643 -0.918 24 HB2 SER 6 1HB SER 6 7.039 -23.637 0.733 25 HB3 SER 6 2HB SER 6 7.575 -22.796 -0.721 26 HG SER 6 HG SER 6 6.272 -24.168 -1.656 27 H GLY 7 H GLY 7 8.961 -23.125 2.281 28 HA2 GLY 7 1HA GLY 7 10.914 -21.953 3.196 29 HA3 GLY 7 2HA GLY 7 11.208 -21.341 1.575 30 H THR 8 H THR 8 11.256 -19.270 2.789 31 HA THR 8 HA THR 8 8.543 -18.140 2.905 32 HB THR 8 HB THR 8 9.255 -16.698 4.803 33 HG1 THR 8 1HG THR 8 11.443 -16.736 4.797 34 HG21 THR 8 3HG2 THR 8 9.124 -18.453 6.535 35 HG22 THR 8 1HG2 THR 8 9.399 -19.675 5.295 36 HG23 THR 8 2HG2 THR 8 7.937 -18.689 5.253 37 H GLU 9 H GLU 9 9.022 -17.395 0.750 38 HA GLU 9 HA GLU 9 11.213 -15.683 0.189 39 HB2 GLU 9 1HB GLU 9 9.542 -17.011 -1.388 40 HB3 GLU 9 2HB GLU 9 8.682 -15.478 -1.374 41 HG2 GLU 9 1HG GLU 9 10.916 -14.425 -2.023 42 HG3 GLU 9 2HG GLU 9 11.436 -16.068 -2.392 43 H GLU 10 H GLU 10 11.027 -13.397 -0.435 44 HA GLU 10 HA GLU 10 10.253 -11.737 1.573 45 HB2 GLU 10 1HB GLU 10 10.383 -11.189 -1.390 46 HB3 GLU 10 2HB GLU 10 10.114 -9.923 -0.200 47 HG2 GLU 10 1HG GLU 10 12.476 -11.743 0.015 48 HG3 GLU 10 2HG GLU 10 12.501 -10.346 -1.061 49 H HIS 11 H HIS 11 8.351 -12.158 -1.419 50 HA HIS 11 HA HIS 11 5.922 -11.664 0.172 51 HB2 HIS 11 1HB HIS 11 6.136 -9.672 -1.047 52 HB3 HIS 11 2HB HIS 11 6.728 -10.504 -2.482 53 HD2 HIS 11 2HD HIS 11 3.430 -11.828 -0.926 54 HE1 HIS 11 1HE HIS 11 2.457 -9.661 -4.441 55 HE2 HIS 11 2HE HIS 11 1.575 -11.110 -2.579 56 H VAL 12 H VAL 12 5.825 -14.006 0.294 57 HA VAL 12 HA VAL 12 4.932 -15.260 -2.220 58 HB VAL 12 HB VAL 12 6.892 -16.365 -1.308 59 HG11 VAL 12 1HG1 VAL 12 6.520 -17.614 0.929 60 HG12 VAL 12 2HG1 VAL 12 6.943 -15.901 0.965 61 HG13 VAL 12 3HG1 VAL 12 5.269 -16.402 1.207 62 HG21 VAL 12 3HG2 VAL 12 6.122 -18.414 -1.810 63 HG22 VAL 12 1HG2 VAL 12 4.903 -18.373 -0.535 64 HG23 VAL 12 2HG2 VAL 12 4.585 -17.592 -2.084 65 H GLY 13 H GLY 13 4.143 -14.608 1.119 66 HA2 GLY 13 1HA GLY 13 1.614 -14.352 1.326 67 HA3 GLY 13 2HA GLY 13 1.576 -16.021 0.775 68 H SER 14 H SER 14 3.784 -14.465 3.073 69 HA SER 14 HA SER 14 2.850 -16.383 5.107 70 HB2 SER 14 1HB SER 14 5.570 -15.405 4.372 71 HB3 SER 14 2HB SER 14 5.254 -15.758 6.071 72 HG SER 14 HG SER 14 4.327 -17.696 4.382 73 H GLY 15 H GLY 15 1.547 -15.370 6.491 74 HA2 GLY 15 1HA GLY 15 0.601 -13.598 7.672 75 HA3 GLY 15 2HA GLY 15 2.185 -13.656 8.432 76 H LEU 16 H LEU 16 1.352 -12.623 5.148 77 HA LEU 16 HA LEU 16 2.562 -10.016 5.764 78 HB2 LEU 16 1HB LEU 16 2.583 -9.877 3.181 79 HB3 LEU 16 2HB LEU 16 3.774 -10.878 4.008 80 HG LEU 16 HG LEU 16 2.626 -12.879 3.397 81 HD11 LEU 16 1HD1 LEU 16 0.406 -11.012 2.802 82 HD12 LEU 16 2HD1 LEU 16 0.377 -12.621 3.522 83 HD13 LEU 16 3HD1 LEU 16 0.562 -12.440 1.778 84 HD21 LEU 16 3HD2 LEU 16 3.638 -12.769 1.427 85 HD22 LEU 16 1HD2 LEU 16 3.600 -11.007 1.488 86 HD23 LEU 16 2HD2 LEU 16 2.255 -11.893 0.768 87 H GLU 17 H GLU 17 -0.399 -11.416 5.508 88 HA GLU 17 HA GLU 17 -2.044 -10.025 3.904 89 HB2 GLU 17 1HB GLU 17 -3.763 -10.108 5.718 90 HB3 GLU 17 2HB GLU 17 -2.944 -11.637 5.433 91 HG2 GLU 17 1HG GLU 17 -1.400 -10.945 7.356 92 HG3 GLU 17 2HG GLU 17 -2.635 -9.744 7.730 93 H CYS 18 H CYS 18 -2.949 -8.020 3.734 94 HA CYS 18 HA CYS 18 -1.524 -5.793 4.587 95 HB2 CYS 18 1HB CYS 18 -2.902 -5.415 2.746 96 HB3 CYS 18 2HB CYS 18 -4.295 -6.177 3.507 97 HA PRO 19 HA PRO 19 -2.754 -5.506 8.840 98 HB2 PRO 19 1HB PRO 19 -1.596 -3.100 9.335 99 HB3 PRO 19 2HB PRO 19 -0.674 -4.603 9.212 100 HG2 PRO 19 1HG PRO 19 -1.092 -2.463 7.161 101 HG3 PRO 19 2HG PRO 19 0.393 -3.337 7.579 102 HD2 PRO 19 1HD PRO 19 -1.109 -3.968 5.416 103 HD3 PRO 19 2HD PRO 19 -0.192 -5.183 6.329 104 H VAL 20 H VAL 20 -3.313 -2.955 6.475 105 HA VAL 20 HA VAL 20 -4.933 -1.236 7.910 106 HB VAL 20 HB VAL 20 -5.510 -1.962 5.046 107 HG11 VAL 20 1HG1 VAL 20 -6.074 0.316 6.846 108 HG12 VAL 20 2HG1 VAL 20 -5.678 0.703 5.170 109 HG13 VAL 20 3HG1 VAL 20 -7.038 -0.360 5.534 110 HG21 VAL 20 3HG2 VAL 20 -3.017 -1.079 6.133 111 HG22 VAL 20 1HG2 VAL 20 -3.444 -1.405 4.453 112 HG23 VAL 20 2HG2 VAL 20 -3.704 0.201 5.134 113 H CYS 21 H CYS 21 -5.919 -4.096 6.034 114 HA CYS 21 HA CYS 21 -8.529 -3.996 7.391 115 HB2 CYS 21 1HB CYS 21 -9.237 -5.560 5.512 116 HB3 CYS 21 2HB CYS 21 -8.878 -3.900 5.048 117 H LYS 22 H LYS 22 -5.617 -5.755 7.089 118 HA LYS 22 HA LYS 22 -4.843 -7.656 8.068 119 HB2 LYS 22 1HB LYS 22 -7.377 -7.572 9.712 120 HB3 LYS 22 2HB LYS 22 -5.890 -8.423 10.109 121 HG2 LYS 22 1HG LYS 22 -5.738 -5.490 9.689 122 HG3 LYS 22 2HG LYS 22 -6.494 -6.082 11.171 123 HD2 LYS 22 1HD LYS 22 -4.498 -7.336 11.727 124 HD3 LYS 22 2HD LYS 22 -3.747 -6.871 10.199 125 HE2 LYS 22 1HE LYS 22 -3.348 -4.724 10.893 126 HE3 LYS 22 2HE LYS 22 -4.705 -4.720 12.019 127 HZ1 LYS 22 3HZ LYS 22 -2.356 -6.434 12.509 128 HZ2 LYS 22 1HZ LYS 22 -3.489 -5.842 13.616 129 HZ3 LYS 22 2HZ LYS 22 -2.333 -4.802 12.952 130 H GLU 23 H GLU 23 -6.258 -7.921 5.666 131 HA GLU 23 HA GLU 23 -7.810 -10.388 6.023 132 HB2 GLU 23 1HB GLU 23 -7.596 -8.484 3.687 133 HB3 GLU 23 2HB GLU 23 -8.476 -10.005 3.631 134 HG2 GLU 23 1HG GLU 23 -9.138 -8.096 5.801 135 HG3 GLU 23 2HG GLU 23 -9.669 -7.714 4.165 136 H ASP 24 H ASP 24 -6.021 -9.379 3.161 137 HA ASP 24 HA ASP 24 -3.748 -10.949 3.425 138 HB2 ASP 24 1HB ASP 24 -4.464 -12.836 1.822 139 HB3 ASP 24 2HB ASP 24 -4.968 -12.951 3.505 140 H TYR 25 H TYR 25 -2.789 -11.518 1.188 141 HA TYR 25 HA TYR 25 -3.345 -9.241 -0.576 142 HB2 TYR 25 1HB TYR 25 -0.908 -10.968 -0.178 143 HB3 TYR 25 2HB TYR 25 -1.070 -9.884 -1.556 144 HD1 TYR 25 1HD TYR 25 -2.361 -7.543 -0.306 145 HD2 TYR 25 2HD TYR 25 0.790 -10.025 1.112 146 HE1 TYR 25 1HE TYR 25 -1.514 -5.679 1.057 147 HE2 TYR 25 2HE TYR 25 1.645 -8.169 2.480 148 HH TYR 25 HH TYR 25 -0.123 -5.403 3.137 149 H ALA 26 H ALA 26 -2.380 -9.968 -2.943 150 HA ALA 26 HA ALA 26 -3.198 -12.568 -3.797 151 HB1 ALA 26 3HB ALA 26 -5.236 -12.210 -4.712 152 HB2 ALA 26 1HB ALA 26 -5.323 -10.975 -3.455 153 HB3 ALA 26 2HB ALA 26 -4.888 -10.526 -5.104 154 H LEU 27 H LEU 27 -2.128 -13.084 -5.607 155 HA LEU 27 HA LEU 27 -0.089 -11.726 -6.701 156 HB2 LEU 27 1HB LEU 27 -2.004 -13.352 -8.364 157 HB3 LEU 27 2HB LEU 27 -0.300 -13.053 -8.697 158 HG LEU 27 HG LEU 27 -0.029 -14.271 -6.347 159 HD11 LEU 27 1HD1 LEU 27 -1.981 -15.038 -5.590 160 HD12 LEU 27 2HD1 LEU 27 -1.859 -16.252 -6.864 161 HD13 LEU 27 3HD1 LEU 27 -2.785 -14.777 -7.138 162 HD21 LEU 27 3HD2 LEU 27 -0.152 -15.224 -9.139 163 HD22 LEU 27 1HD2 LEU 27 -0.152 -16.465 -7.886 164 HD23 LEU 27 2HD2 LEU 27 1.166 -15.296 -7.969 165 H GLY 28 H GLY 28 -3.462 -11.467 -7.796 166 HA2 GLY 28 1HA GLY 28 -2.814 -9.444 -9.747 167 HA3 GLY 28 2HA GLY 28 -4.423 -10.008 -9.320 168 H GLU 29 H GLU 29 -3.815 -9.493 -6.423 169 HA GLU 29 HA GLU 29 -4.918 -6.897 -6.283 170 HB2 GLU 29 1HB GLU 29 -3.870 -8.871 -4.311 171 HB3 GLU 29 2HB GLU 29 -4.083 -7.209 -3.780 172 HG2 GLU 29 1HG GLU 29 -6.433 -7.299 -4.456 173 HG3 GLU 29 2HG GLU 29 -6.216 -8.973 -4.962 174 H SER 30 H SER 30 -3.924 -5.033 -6.615 175 HA SER 30 HA SER 30 -1.120 -4.773 -6.846 176 HB2 SER 30 1HB SER 30 -2.827 -3.320 -7.987 177 HB3 SER 30 2HB SER 30 -3.113 -2.535 -6.434 178 HG SER 30 HG SER 30 -1.257 -1.520 -6.591 179 H VAL 31 H VAL 31 0.174 -5.060 -5.142 180 HA VAL 31 HA VAL 31 -0.594 -3.913 -2.552 181 HB VAL 31 HB VAL 31 1.609 -5.272 -1.916 182 HG11 VAL 31 1HG1 VAL 31 0.187 -7.108 -1.237 183 HG12 VAL 31 2HG1 VAL 31 -0.660 -5.579 -0.995 184 HG13 VAL 31 3HG1 VAL 31 -1.059 -6.602 -2.377 185 HG21 VAL 31 3HG2 VAL 31 1.935 -5.886 -4.342 186 HG22 VAL 31 1HG2 VAL 31 1.936 -7.235 -3.206 187 HG23 VAL 31 2HG2 VAL 31 0.509 -6.911 -4.190 188 H ARG 32 H ARG 32 0.836 -2.605 -1.370 189 HA ARG 32 HA ARG 32 3.026 -1.420 -2.946 190 HB2 ARG 32 1HB ARG 32 1.609 0.372 -2.934 191 HB3 ARG 32 2HB ARG 32 0.795 -0.145 -1.464 192 HG2 ARG 32 1HG ARG 32 2.221 0.976 -0.114 193 HG3 ARG 32 2HG ARG 32 3.603 0.727 -1.183 194 HD2 ARG 32 1HD ARG 32 2.687 2.408 -2.726 195 HD3 ARG 32 2HD ARG 32 1.338 2.670 -1.621 196 HE ARG 32 HE ARG 32 3.420 3.163 -0.031 197 HH11 ARG 32 1HH1 ARG 32 2.718 4.226 -3.271 198 HH12 ARG 32 2HH1 ARG 32 3.565 5.728 -3.102 199 HH21 ARG 32 1HH2 ARG 32 4.538 5.137 0.204 200 HH22 ARG 32 2HH2 ARG 32 4.601 6.245 -1.125 201 H GLN 33 H GLN 33 4.959 -1.226 -1.964 202 HA GLN 33 HA GLN 33 5.154 -2.194 0.798 203 HB2 GLN 33 1HB GLN 33 6.456 -3.330 -1.032 204 HB3 GLN 33 2HB GLN 33 7.387 -1.847 -1.205 205 HG2 GLN 33 1HG GLN 33 8.561 -2.195 0.690 206 HG3 GLN 33 2HG GLN 33 7.212 -2.975 1.515 207 HE21 GLN 33 1HE2 GLN 33 8.717 -4.556 2.242 208 HE22 GLN 33 2HE2 GLN 33 9.214 -5.839 1.199 209 H LEU 34 H LEU 34 6.109 -1.019 2.405 210 HA LEU 34 HA LEU 34 6.537 1.819 1.822 211 HB2 LEU 34 1HB LEU 34 5.890 0.277 4.305 212 HB3 LEU 34 2HB LEU 34 6.555 1.906 4.409 213 HG LEU 34 HG LEU 34 3.904 1.046 3.280 214 HD11 LEU 34 1HD1 LEU 34 4.241 1.492 5.751 215 HD12 LEU 34 2HD1 LEU 34 2.972 2.418 4.950 216 HD13 LEU 34 3HD1 LEU 34 4.524 3.176 5.307 217 HD21 LEU 34 3HD2 LEU 34 5.561 3.384 2.606 218 HD22 LEU 34 1HD2 LEU 34 3.883 3.734 3.023 219 HD23 LEU 34 2HD2 LEU 34 4.250 2.619 1.706 220 HA PRO 35 HA PRO 35 10.870 1.741 2.507 221 HB2 PRO 35 1HB PRO 35 11.283 4.029 3.907 222 HB3 PRO 35 2HB PRO 35 10.867 4.016 2.189 223 HG2 PRO 35 1HG PRO 35 9.102 4.477 4.563 224 HG3 PRO 35 2HG PRO 35 9.142 5.340 3.014 225 HD2 PRO 35 1HD PRO 35 7.296 3.440 3.575 226 HD3 PRO 35 2HD PRO 35 7.914 3.717 1.934 227 H CYS 36 H CYS 36 8.783 1.022 4.895 228 HA CYS 36 HA CYS 36 10.891 0.804 6.943 229 HB2 CYS 36 1HB CYS 36 8.950 0.593 8.559 230 HB3 CYS 36 2HB CYS 36 9.154 2.175 7.814 231 H ASN 37 H ASN 37 9.781 -0.984 4.619 232 HA ASN 37 HA ASN 37 9.830 -3.236 4.239 233 HB2 ASN 37 1HB ASN 37 10.104 -3.938 7.120 234 HB3 ASN 37 2HB ASN 37 10.906 -4.630 5.713 235 HD21 ASN 37 1HD2 ASN 37 12.343 -2.930 4.555 236 HD22 ASN 37 2HD2 ASN 37 13.403 -2.049 5.597 237 H HIS 38 H HIS 38 7.439 -1.722 4.896 238 HA HIS 38 HA HIS 38 5.749 -3.941 5.844 239 HB2 HIS 38 1HB HIS 38 5.532 -0.996 6.449 240 HB3 HIS 38 2HB HIS 38 4.165 -2.091 6.637 241 HD2 HIS 38 2HD HIS 38 5.620 -4.557 8.167 242 HE1 HIS 38 1HE HIS 38 6.890 -1.602 10.934 243 HE2 HIS 38 2HE HIS 38 6.627 -4.069 10.500 244 H LEU 39 H LEU 39 4.270 -4.602 4.432 245 HA LEU 39 HA LEU 39 3.797 -2.980 2.042 246 HB2 LEU 39 1HB LEU 39 3.489 -5.879 2.702 247 HB3 LEU 39 2HB LEU 39 2.601 -5.186 1.347 248 HG LEU 39 HG LEU 39 5.547 -4.768 1.470 249 HD11 LEU 39 1HD1 LEU 39 4.907 -7.147 -0.010 250 HD12 LEU 39 2HD1 LEU 39 4.462 -7.335 1.686 251 HD13 LEU 39 3HD1 LEU 39 6.115 -6.901 1.252 252 HD21 LEU 39 3HD2 LEU 39 5.226 -5.066 -1.004 253 HD22 LEU 39 1HD2 LEU 39 4.395 -3.679 -0.299 254 HD23 LEU 39 2HD2 LEU 39 3.490 -5.140 -0.698 255 H PHE 40 H PHE 40 1.624 -2.796 1.180 256 HA PHE 40 HA PHE 40 -0.620 -3.344 2.896 257 HB2 PHE 40 1HB PHE 40 0.021 -0.452 2.297 258 HB3 PHE 40 2HB PHE 40 -1.318 -1.065 3.261 259 HD1 PHE 40 2HD PHE 40 2.392 -0.928 3.143 260 HD2 PHE 40 1HD PHE 40 -1.094 -1.307 5.556 261 HE1 PHE 40 2HE PHE 40 3.780 -0.761 5.168 262 HE2 PHE 40 1HE PHE 40 0.288 -1.139 7.585 263 HZ PHE 40 HZ PHE 40 2.728 -0.867 7.392 264 H HIS 41 H HIS 41 -2.598 -3.193 1.833 265 HA HIS 41 HA HIS 41 -2.634 -3.657 -0.898 266 HB2 HIS 41 1HB HIS 41 -4.774 -2.762 1.020 267 HB3 HIS 41 2HB HIS 41 -5.123 -3.021 -0.687 268 HD2 HIS 41 2HD HIS 41 -3.586 -5.839 -1.162 269 HE1 HIS 41 1HE HIS 41 -5.880 -7.221 2.129 270 HE2 HIS 41 2HE HIS 41 -4.425 -7.883 0.183 271 H ASP 42 H ASP 42 -2.715 -2.422 -2.682 272 HA ASP 42 HA ASP 42 -1.966 0.273 -2.610 273 HB2 ASP 42 1HB ASP 42 -1.538 -1.083 -4.569 274 HB3 ASP 42 2HB ASP 42 -3.264 -1.327 -4.824 275 H SER 43 H SER 43 -4.941 -1.098 -1.925 276 HA SER 43 HA SER 43 -6.395 1.362 -2.625 277 HB2 SER 43 1HB SER 43 -7.378 -0.655 -3.582 278 HB3 SER 43 2HB SER 43 -7.448 -1.405 -1.988 279 HG SER 43 HG SER 43 -8.959 0.128 -1.365 280 H CYS 44 H CYS 44 -4.959 -0.232 -0.060 281 HA CYS 44 HA CYS 44 -6.776 0.953 1.921 282 HB2 CYS 44 1HB CYS 44 -4.637 -1.166 2.181 283 HB3 CYS 44 2HB CYS 44 -5.496 -0.474 3.554 284 H ILE 45 H ILE 45 -3.447 0.933 0.805 285 HA ILE 45 HA ILE 45 -2.587 2.777 2.868 286 HB ILE 45 HB ILE 45 -1.197 0.902 1.623 287 HG12 ILE 45 1HG1 ILE 45 0.834 2.033 2.312 288 HG13 ILE 45 2HG1 ILE 45 0.021 3.593 2.272 289 HG21 ILE 45 1HG2 ILE 45 -0.725 3.337 -0.091 290 HG22 ILE 45 2HG2 ILE 45 0.216 1.847 -0.141 291 HG23 ILE 45 3HG2 ILE 45 -1.485 1.832 -0.606 292 HD11 ILE 45 3HD1 ILE 45 -1.012 1.445 4.059 293 HD12 ILE 45 1HD1 ILE 45 0.412 2.372 4.530 294 HD13 ILE 45 2HD1 ILE 45 -1.116 3.198 4.226 295 H VAL 46 H VAL 46 -3.093 2.828 -0.645 296 HA VAL 46 HA VAL 46 -2.238 5.303 -1.350 297 HB VAL 46 HB VAL 46 -4.519 3.636 -2.259 298 HG11 VAL 46 1HG1 VAL 46 -5.709 5.626 -2.393 299 HG12 VAL 46 2HG1 VAL 46 -4.274 6.574 -2.789 300 HG13 VAL 46 3HG1 VAL 46 -4.979 5.493 -3.993 301 HG21 VAL 46 3HG2 VAL 46 -2.003 3.668 -3.004 302 HG22 VAL 46 1HG2 VAL 46 -3.288 3.420 -4.187 303 HG23 VAL 46 2HG2 VAL 46 -2.539 5.008 -4.018 304 HA PRO 47 HA PRO 47 -6.348 7.380 0.121 305 HB2 PRO 47 1HB PRO 47 -8.009 5.890 1.667 306 HB3 PRO 47 2HB PRO 47 -8.117 5.929 -0.097 307 HG2 PRO 47 1HG PRO 47 -6.831 3.889 1.677 308 HG3 PRO 47 2HG PRO 47 -7.843 3.645 0.241 309 HD2 PRO 47 1HD PRO 47 -5.142 3.463 0.169 310 HD3 PRO 47 2HD PRO 47 -6.097 4.043 -1.210 311 H TRP 48 H TRP 48 -4.349 5.365 2.028 312 HA TRP 48 HA TRP 48 -4.987 6.662 4.541 313 HB2 TRP 48 1HB TRP 48 -4.401 4.294 4.564 314 HB3 TRP 48 2HB TRP 48 -2.843 4.650 3.823 315 HD1 TRP 48 HD TRP 48 -0.888 5.352 5.402 316 HE1 TRP 48 1HE TRP 48 -0.647 5.590 7.953 317 HE3 TRP 48 3HE TRP 48 -5.817 5.011 6.718 318 HZ2 TRP 48 2HZ TRP 48 -2.324 5.628 10.224 319 HZ3 TRP 48 3HZ TRP 48 -6.414 5.157 9.101 320 HH2 TRP 48 HH TRP 48 -4.702 5.459 10.816 321 H LEU 49 H LEU 49 -2.013 6.305 2.595 322 HA LEU 49 HA LEU 49 -0.480 8.186 3.946 323 HB2 LEU 49 1HB LEU 49 -0.297 7.736 0.983 324 HB3 LEU 49 2HB LEU 49 0.995 8.149 2.108 325 HG LEU 49 HG LEU 49 -0.431 5.494 1.938 326 HD11 LEU 49 1HD1 LEU 49 2.076 6.567 0.785 327 HD12 LEU 49 2HD1 LEU 49 0.965 5.352 0.156 328 HD13 LEU 49 3HD1 LEU 49 2.115 4.923 1.422 329 HD21 LEU 49 3HD2 LEU 49 0.765 4.760 3.743 330 HD22 LEU 49 1HD2 LEU 49 0.519 6.444 4.206 331 HD23 LEU 49 2HD2 LEU 49 2.058 5.938 3.508 332 H GLU 50 H GLU 50 -2.931 8.616 1.493 333 HA GLU 50 HA GLU 50 -2.299 11.333 0.895 334 HB2 GLU 50 1HB GLU 50 -4.730 9.622 0.407 335 HB3 GLU 50 2HB GLU 50 -4.674 11.317 -0.057 336 HG2 GLU 50 1HG GLU 50 -2.619 10.778 -1.394 337 HG3 GLU 50 2HG GLU 50 -2.951 9.076 -1.074 338 H GLN 51 H GLN 51 -3.340 10.014 3.685 339 HA GLN 51 HA GLN 51 -4.801 12.456 4.445 340 HB2 GLN 51 1HB GLN 51 -5.395 9.588 5.074 341 HB3 GLN 51 2HB GLN 51 -5.864 10.843 6.212 342 HG2 GLN 51 1HG GLN 51 -6.898 11.922 4.030 343 HG3 GLN 51 2HG GLN 51 -6.915 10.239 3.509 344 HE21 GLN 51 1HE2 GLN 51 -8.415 12.622 5.404 345 HE22 GLN 51 2HE2 GLN 51 -9.623 11.624 6.131 346 H HIS 52 H HIS 52 -2.656 9.852 5.478 347 HA HIS 52 HA HIS 52 -1.819 11.522 7.756 348 HB2 HIS 52 1HB HIS 52 -1.374 8.549 7.483 349 HB3 HIS 52 2HB HIS 52 -1.192 9.539 8.929 350 HD2 HIS 52 2HD HIS 52 -4.065 7.962 6.774 351 HE1 HIS 52 1HE HIS 52 -5.666 9.233 10.492 352 HE2 HIS 52 2HE HIS 52 -6.094 7.933 8.378 353 H ASP 53 H ASP 53 -0.789 9.787 4.922 354 HA ASP 53 HA ASP 53 1.177 9.720 3.780 355 HB2 ASP 53 1HB ASP 53 1.974 12.126 5.427 356 HB3 ASP 53 2HB ASP 53 2.591 11.662 3.843 357 H SER 54 H SER 54 0.988 8.068 6.025 358 HA SER 54 HA SER 54 3.792 7.617 6.549 359 HB2 SER 54 1HB SER 54 1.970 7.918 8.937 360 HB3 SER 54 2HB SER 54 3.725 7.753 8.923 361 HG SER 54 HG SER 54 2.141 9.983 8.461 362 H CYS 55 H CYS 55 3.852 5.679 8.297 363 HA CYS 55 HA CYS 55 2.353 3.555 7.024 364 HB2 CYS 55 1HB CYS 55 4.754 3.281 7.555 365 HB3 CYS 55 2HB CYS 55 4.377 3.424 9.269 366 HA PRO 56 HA PRO 56 -0.872 3.689 10.081 367 HB2 PRO 56 1HB PRO 56 -2.211 1.503 9.186 368 HB3 PRO 56 2HB PRO 56 -2.290 3.074 8.381 369 HG2 PRO 56 1HG PRO 56 -0.637 0.675 7.694 370 HG3 PRO 56 2HG PRO 56 -1.547 1.752 6.618 371 HD2 PRO 56 1HD PRO 56 1.132 1.954 6.956 372 HD3 PRO 56 2HD PRO 56 0.102 3.363 6.630 373 H VAL 57 H VAL 57 1.706 1.667 9.960 374 HA VAL 57 HA VAL 57 0.712 -0.019 12.164 375 HB VAL 57 HB VAL 57 2.960 -0.576 10.224 376 HG11 VAL 57 1HG1 VAL 57 3.261 -1.365 12.630 377 HG12 VAL 57 2HG1 VAL 57 1.913 -2.460 12.316 378 HG13 VAL 57 3HG1 VAL 57 3.392 -2.583 11.362 379 HG21 VAL 57 3HG2 VAL 57 0.281 -0.896 9.822 380 HG22 VAL 57 1HG2 VAL 57 1.543 -1.839 9.028 381 HG23 VAL 57 2HG2 VAL 57 0.741 -2.473 10.465 382 H CYS 58 H CYS 58 3.806 1.297 10.960 383 HA CYS 58 HA CYS 58 4.606 1.737 13.757 384 HB2 CYS 58 1HB CYS 58 6.899 1.651 13.009 385 HB3 CYS 58 2HB CYS 58 6.053 0.240 12.383 386 H ARG 59 H ARG 59 3.585 3.329 10.975 387 HA ARG 59 HA ARG 59 3.510 5.508 10.323 388 HB2 ARG 59 1HB ARG 59 4.033 6.066 13.248 389 HB3 ARG 59 2HB ARG 59 3.316 7.171 12.082 390 HG2 ARG 59 1HG ARG 59 2.017 4.537 12.585 391 HG3 ARG 59 2HG ARG 59 1.816 5.847 13.750 392 HD2 ARG 59 1HD ARG 59 1.359 6.357 10.842 393 HD3 ARG 59 2HD ARG 59 0.112 5.554 11.795 394 HE ARG 59 HE ARG 59 0.976 7.890 13.118 395 HH11 ARG 59 1HH1 ARG 59 -0.878 6.857 10.359 396 HH12 ARG 59 2HH1 ARG 59 -1.890 8.263 10.348 397 HH21 ARG 59 1HH2 ARG 59 -0.348 9.747 13.114 398 HH22 ARG 59 2HH2 ARG 59 -1.587 9.907 11.915 399 H LYS 60 H LYS 60 5.921 4.376 9.792 400 HA LYS 60 HA LYS 60 8.109 5.905 10.822 401 HB2 LYS 60 1HB LYS 60 7.748 3.814 8.730 402 HB3 LYS 60 2HB LYS 60 9.186 4.823 8.638 403 HG2 LYS 60 1HG LYS 60 8.529 3.593 11.255 404 HG3 LYS 60 2HG LYS 60 9.148 2.545 9.977 405 HD2 LYS 60 1HD LYS 60 11.154 3.183 10.789 406 HD3 LYS 60 2HD LYS 60 10.876 4.613 9.792 407 HE2 LYS 60 1HE LYS 60 11.539 5.366 11.953 408 HE3 LYS 60 2HE LYS 60 9.814 5.688 11.788 409 HZ1 LYS 60 3HZ LYS 60 11.079 4.253 13.794 410 HZ2 LYS 60 1HZ LYS 60 10.209 3.119 12.889 411 HZ3 LYS 60 2HZ LYS 60 9.414 4.450 13.564 412 H SER 61 H SER 61 8.290 8.004 10.385 413 HA SER 61 HA SER 61 7.104 9.575 8.573 414 HB2 SER 61 1HB SER 61 8.790 10.302 10.298 415 HB3 SER 61 2HB SER 61 10.059 9.840 9.164 416 HG SER 61 HG SER 61 9.494 12.081 9.054 417 H LEU 62 H LEU 62 6.761 9.297 6.475 418 HA LEU 62 HA LEU 62 8.745 7.954 4.822 419 HB2 LEU 62 1HB LEU 62 6.078 9.026 3.943 420 HB3 LEU 62 2HB LEU 62 7.060 7.786 3.166 421 HG LEU 62 HG LEU 62 5.745 7.428 5.854 422 HD11 LEU 62 1HD1 LEU 62 4.721 6.157 3.361 423 HD12 LEU 62 2HD1 LEU 62 4.246 7.812 3.742 424 HD13 LEU 62 3HD1 LEU 62 3.887 6.509 4.875 425 HD21 LEU 62 3HD2 LEU 62 7.523 5.905 5.635 426 HD22 LEU 62 1HD2 LEU 62 7.168 5.606 3.934 427 HD23 LEU 62 2HD2 LEU 62 6.080 4.997 5.181 428 H THR 63 H THR 63 9.508 10.493 5.790 429 HA THR 63 HA THR 63 10.148 11.777 3.292 430 HB THR 63 HB THR 63 7.946 12.789 3.828 431 HG1 THR 63 1HG THR 63 8.706 14.610 3.044 432 HG21 THR 63 3HG2 THR 63 8.816 14.523 5.944 433 HG22 THR 63 1HG2 THR 63 8.975 12.840 6.446 434 HG23 THR 63 2HG2 THR 63 7.417 13.451 5.889 435 H GLY 64 H GLY 64 11.974 13.062 3.418 436 HA2 GLY 64 1HA GLY 64 13.191 13.313 6.098 437 HA3 GLY 64 2HA GLY 64 14.119 12.760 4.712 438 H GLN 65 H GLN 65 13.117 14.548 2.781 439 HA GLN 65 HA GLN 65 14.770 16.791 3.270 440 HB2 GLN 65 1HB GLN 65 12.792 16.090 1.120 441 HB3 GLN 65 2HB GLN 65 13.558 17.673 1.157 442 HG2 GLN 65 1HG GLN 65 14.954 16.528 -0.247 443 HG3 GLN 65 2HG GLN 65 15.762 16.300 1.302 444 HE21 GLN 65 1HE2 GLN 65 14.285 14.796 -1.361 445 HE22 GLN 65 2HE2 GLN 65 14.400 13.164 -0.807 446 H ASN 66 H ASN 66 13.799 19.079 2.753 447 HA ASN 66 HA ASN 66 12.469 20.029 4.922 448 HB2 ASN 66 1HB ASN 66 13.526 21.461 3.215 449 HB3 ASN 66 2HB ASN 66 12.205 21.107 2.105 450 HD21 ASN 66 1HD2 ASN 66 11.426 23.143 1.904 451 HD22 ASN 66 2HD2 ASN 66 10.711 24.033 3.201 452 H THR 67 H THR 67 10.269 20.924 5.149 453 HA THR 67 HA THR 67 8.306 18.969 4.898 454 HB THR 67 HB THR 67 7.906 21.953 5.194 455 HG1 THR 67 1HG THR 67 8.492 21.634 7.198 456 HG21 THR 67 3HG2 THR 67 5.750 21.294 6.237 457 HG22 THR 67 1HG2 THR 67 6.049 19.633 5.730 458 HG23 THR 67 2HG2 THR 67 5.839 20.899 4.521 459 H ALA 68 H ALA 68 9.001 21.761 2.837 460 HA ALA 68 HA ALA 68 6.815 21.699 1.152 461 HB1 ALA 68 3HB ALA 68 8.881 22.330 -0.549 462 HB2 ALA 68 1HB ALA 68 8.008 23.462 0.485 463 HB3 ALA 68 2HB ALA 68 9.526 22.752 1.037 464 H THR 69 H THR 69 6.067 19.703 0.565 465 HA THR 69 HA THR 69 7.670 18.278 -1.424 466 HB THR 69 HB THR 69 8.015 17.114 0.749 467 HG1 THR 69 1HG THR 69 8.216 15.704 -0.877 468 HG21 THR 69 3HG2 THR 69 5.151 16.236 0.607 469 HG22 THR 69 1HG2 THR 69 5.606 17.685 1.503 470 HG23 THR 69 2HG2 THR 69 6.284 16.120 1.953 471 H ASN 70 H ASN 70 6.477 17.198 -2.988 472 HA ASN 70 HA ASN 70 4.133 18.222 -3.877 473 HB2 ASN 70 1HB ASN 70 5.115 15.374 -4.145 474 HB3 ASN 70 2HB ASN 70 3.775 16.038 -5.075 475 HD21 ASN 70 1HD2 ASN 70 7.155 15.775 -4.767 476 HD22 ASN 70 2HD2 ASN 70 7.589 16.742 -6.131 477 HA PRO 71 HA PRO 71 1.055 17.020 -0.936 478 HB2 PRO 71 1HB PRO 71 -1.118 17.708 -2.411 479 HB3 PRO 71 2HB PRO 71 -0.086 18.898 -1.609 480 HG2 PRO 71 1HG PRO 71 -0.098 18.024 -4.472 481 HG3 PRO 71 2HG PRO 71 0.046 19.660 -3.801 482 HD2 PRO 71 1HD PRO 71 2.186 18.252 -4.678 483 HD3 PRO 71 2HD PRO 71 2.288 19.407 -3.334 484 HA PRO 72 HA PRO 72 -0.277 12.980 -2.075 485 HB2 PRO 72 1HB PRO 72 -2.490 12.735 -0.521 486 HB3 PRO 72 2HB PRO 72 -0.847 12.689 0.131 487 HG2 PRO 72 1HG PRO 72 -2.795 14.961 0.064 488 HG3 PRO 72 2HG PRO 72 -1.732 14.438 1.383 489 HD2 PRO 72 1HD PRO 72 -1.137 16.535 -0.224 490 HD3 PRO 72 2HD PRO 72 0.112 15.488 0.481 491 H GLY 73 H GLY 73 -2.421 15.705 -2.426 492 HA2 GLY 73 1HA GLY 73 -3.523 14.627 -4.842 493 HA3 GLY 73 2HA GLY 73 -4.690 14.629 -3.528 494 H LEU 74 H LEU 74 -5.891 16.394 -3.296 495 HA LEU 74 HA LEU 74 -4.879 18.923 -4.418 496 HB2 LEU 74 1HB LEU 74 -7.045 19.476 -5.210 497 HB3 LEU 74 2HB LEU 74 -6.673 17.850 -5.780 498 HG LEU 74 HG LEU 74 -8.272 18.174 -3.282 499 HD11 LEU 74 1HD1 LEU 74 -9.056 19.539 -5.501 500 HD12 LEU 74 2HD1 LEU 74 -10.145 18.902 -4.270 501 HD13 LEU 74 3HD1 LEU 74 -9.845 17.981 -5.743 502 HD21 LEU 74 3HD2 LEU 74 -9.249 16.197 -5.037 503 HD22 LEU 74 1HD2 LEU 74 -8.373 15.972 -3.523 504 HD23 LEU 74 2HD2 LEU 74 -7.490 16.068 -5.047 505 H THR 75 H THR 75 -5.383 20.817 -3.316 506 HA THR 75 HA THR 75 -5.229 20.997 -0.665 507 HB THR 75 HB THR 75 -5.329 22.988 -2.067 508 HG1 THR 75 1HG THR 75 -7.465 23.322 -0.257 509 HG21 THR 75 3HG2 THR 75 -8.316 22.885 -2.098 510 HG22 THR 75 1HG2 THR 75 -7.404 22.019 -3.333 511 HG23 THR 75 2HG2 THR 75 -7.213 23.763 -3.157 512 H GLY 76 H GLY 76 -8.257 20.408 -2.409 513 HA2 GLY 76 1HA GLY 76 -10.159 20.613 -0.493 514 HA3 GLY 76 2HA GLY 76 -10.160 19.318 -1.680 515 H VAL 77 H VAL 77 -8.086 17.751 -0.933 516 HA VAL 77 HA VAL 77 -9.004 16.001 0.874 517 HB VAL 77 HB VAL 77 -6.926 15.649 -0.385 518 HG11 VAL 77 1HG1 VAL 77 -6.121 18.023 0.958 519 HG12 VAL 77 2HG1 VAL 77 -5.005 16.728 1.396 520 HG13 VAL 77 3HG1 VAL 77 -5.273 17.127 -0.301 521 HG21 VAL 77 3HG2 VAL 77 -6.027 15.245 2.405 522 HG22 VAL 77 1HG2 VAL 77 -7.585 14.548 1.962 523 HG23 VAL 77 2HG2 VAL 77 -6.132 14.099 1.069 524 H GLY 78 H GLY 78 -8.984 15.644 3.078 525 HA2 GLY 78 1HA GLY 78 -9.231 17.879 4.760 526 HA3 GLY 78 2HA GLY 78 -9.088 16.212 5.298 Start of MODEL 2 1 H1 GLY 1 H GLY 1 6.941 -31.480 -6.713 2 HA2 GLY 1 1HA GLY 1 5.474 -31.860 -8.489 3 HA3 GLY 1 2HA GLY 1 4.480 -30.527 -7.921 4 H SER 2 H SER 2 4.948 -30.806 -10.592 5 HA SER 2 HA SER 2 7.181 -29.514 -11.643 6 HB2 SER 2 1HB SER 2 5.698 -29.047 -13.626 7 HB3 SER 2 2HB SER 2 5.716 -30.732 -13.108 8 HG SER 2 HG SER 2 3.600 -30.229 -13.369 9 H SER 3 H SER 3 7.777 -27.669 -10.574 10 HA SER 3 HA SER 3 7.828 -25.459 -10.040 11 HB2 SER 3 1HB SER 3 5.883 -25.460 -12.336 12 HB3 SER 3 2HB SER 3 6.267 -23.969 -11.476 13 HG SER 3 HG SER 3 7.689 -25.229 -13.360 14 H GLY 4 H GLY 4 6.325 -27.063 -8.357 15 HA2 GLY 4 1HA GLY 4 3.864 -25.570 -7.801 16 HA3 GLY 4 2HA GLY 4 4.325 -27.106 -7.083 17 H SER 5 H SER 5 4.147 -26.578 -4.956 18 HA SER 5 HA SER 5 5.719 -24.286 -3.993 19 HB2 SER 5 1HB SER 5 3.191 -24.557 -3.474 20 HB3 SER 5 2HB SER 5 3.715 -25.790 -2.327 21 HG SER 5 HG SER 5 5.113 -24.129 -1.432 22 H SER 6 H SER 6 7.716 -24.912 -3.472 23 HA SER 6 HA SER 6 8.330 -27.554 -2.558 24 HB2 SER 6 1HB SER 6 9.902 -26.167 -3.911 25 HB3 SER 6 2HB SER 6 10.092 -25.092 -2.525 26 HG SER 6 HG SER 6 10.855 -26.941 -1.351 27 H GLY 7 H GLY 7 8.692 -24.350 -1.017 28 HA2 GLY 7 1HA GLY 7 7.771 -25.436 1.509 29 HA3 GLY 7 2HA GLY 7 9.466 -24.973 1.481 30 H THR 8 H THR 8 9.593 -22.682 0.161 31 HA THR 8 HA THR 8 7.534 -20.878 1.171 32 HB THR 8 HB THR 8 9.159 -19.368 2.209 33 HG1 THR 8 1HG THR 8 11.217 -19.658 1.845 34 HG21 THR 8 3HG2 THR 8 9.917 -21.004 4.083 35 HG22 THR 8 1HG2 THR 8 8.965 -22.191 3.192 36 HG23 THR 8 2HG2 THR 8 8.194 -20.734 3.820 37 H GLU 9 H GLU 9 6.934 -19.846 -0.621 38 HA GLU 9 HA GLU 9 8.951 -19.153 -2.628 39 HB2 GLU 9 1HB GLU 9 6.007 -19.574 -2.669 40 HB3 GLU 9 2HB GLU 9 6.672 -18.418 -3.814 41 HG2 GLU 9 1HG GLU 9 8.035 -20.072 -4.827 42 HG3 GLU 9 2HG GLU 9 7.692 -21.231 -3.544 43 H GLU 10 H GLU 10 8.965 -17.024 -3.577 44 HA GLU 10 HA GLU 10 9.101 -14.956 -1.723 45 HB2 GLU 10 1HB GLU 10 8.893 -14.955 -4.726 46 HB3 GLU 10 2HB GLU 10 9.032 -13.461 -3.809 47 HG2 GLU 10 1HG GLU 10 11.153 -14.212 -2.882 48 HG3 GLU 10 2HG GLU 10 11.013 -15.727 -3.772 49 H HIS 11 H HIS 11 7.571 -13.873 -0.691 50 HA HIS 11 HA HIS 11 5.502 -13.129 -0.069 51 HB2 HIS 11 1HB HIS 11 6.299 -11.592 -2.008 52 HB3 HIS 11 2HB HIS 11 5.053 -12.406 -2.950 53 HD2 HIS 11 2HD HIS 11 2.378 -11.992 -1.926 54 HE1 HIS 11 1HE HIS 11 3.487 -8.510 0.229 55 HE2 HIS 11 2HE HIS 11 1.574 -9.936 -0.579 56 H VAL 12 H VAL 12 5.345 -15.777 -0.293 57 HA VAL 12 HA VAL 12 3.276 -16.603 -2.119 58 HB VAL 12 HB VAL 12 4.989 -18.204 -1.503 59 HG11 VAL 12 1HG1 VAL 12 4.249 -18.918 1.138 60 HG12 VAL 12 2HG1 VAL 12 5.797 -18.296 0.562 61 HG13 VAL 12 3HG1 VAL 12 4.548 -17.180 1.113 62 HG21 VAL 12 3HG2 VAL 12 3.571 -19.943 -1.574 63 HG22 VAL 12 1HG2 VAL 12 2.757 -19.463 -0.084 64 HG23 VAL 12 2HG2 VAL 12 2.311 -18.709 -1.615 65 H GLY 13 H GLY 13 3.393 -15.208 0.997 66 HA2 GLY 13 1HA GLY 13 1.172 -14.316 1.705 67 HA3 GLY 13 2HA GLY 13 0.565 -15.945 1.445 68 H SER 14 H SER 14 3.598 -14.965 2.983 69 HA SER 14 HA SER 14 2.877 -16.560 5.312 70 HB2 SER 14 1HB SER 14 5.154 -16.656 4.123 71 HB3 SER 14 2HB SER 14 5.489 -15.110 4.904 72 HG SER 14 HG SER 14 5.693 -17.549 5.932 73 H GLY 15 H GLY 15 1.500 -15.424 6.586 74 HA2 GLY 15 1HA GLY 15 0.639 -13.607 7.760 75 HA3 GLY 15 2HA GLY 15 2.226 -13.718 8.506 76 H LEU 16 H LEU 16 1.146 -12.592 5.304 77 HA LEU 16 HA LEU 16 2.520 -10.046 5.861 78 HB2 LEU 16 1HB LEU 16 2.559 -9.940 3.272 79 HB3 LEU 16 2HB LEU 16 3.737 -10.935 4.126 80 HG LEU 16 HG LEU 16 2.541 -12.939 3.559 81 HD11 LEU 16 1HD1 LEU 16 0.304 -12.671 3.533 82 HD12 LEU 16 2HD1 LEU 16 0.569 -12.414 1.809 83 HD13 LEU 16 3HD1 LEU 16 0.398 -11.031 2.890 84 HD21 LEU 16 3HD2 LEU 16 3.692 -11.181 1.664 85 HD22 LEU 16 1HD2 LEU 16 2.317 -11.972 0.892 86 HD23 LEU 16 2HD2 LEU 16 3.602 -12.943 1.612 87 H GLU 17 H GLU 17 -0.460 -11.417 5.556 88 HA GLU 17 HA GLU 17 -2.060 -10.004 3.930 89 HB2 GLU 17 1HB GLU 17 -3.831 -10.124 5.638 90 HB3 GLU 17 2HB GLU 17 -2.936 -11.632 5.509 91 HG2 GLU 17 1HG GLU 17 -1.556 -10.797 7.473 92 HG3 GLU 17 2HG GLU 17 -2.799 -9.564 7.676 93 H CYS 18 H CYS 18 -2.941 -7.988 3.748 94 HA CYS 18 HA CYS 18 -1.502 -5.777 4.611 95 HB2 CYS 18 1HB CYS 18 -2.859 -5.355 2.774 96 HB3 CYS 18 2HB CYS 18 -4.256 -6.147 3.495 97 HA PRO 19 HA PRO 19 -2.742 -5.458 8.856 98 HB2 PRO 19 1HB PRO 19 -1.591 -3.048 9.340 99 HB3 PRO 19 2HB PRO 19 -0.665 -4.549 9.225 100 HG2 PRO 19 1HG PRO 19 -1.086 -2.420 7.163 101 HG3 PRO 19 2HG PRO 19 0.401 -3.289 7.587 102 HD2 PRO 19 1HD PRO 19 -1.097 -3.934 5.426 103 HD3 PRO 19 2HD PRO 19 -0.179 -5.143 6.346 104 H VAL 20 H VAL 20 -3.303 -2.919 6.478 105 HA VAL 20 HA VAL 20 -4.929 -1.197 7.903 106 HB VAL 20 HB VAL 20 -5.506 -1.937 5.043 107 HG11 VAL 20 1HG1 VAL 20 -7.045 -0.344 5.600 108 HG12 VAL 20 2HG1 VAL 20 -6.000 0.401 6.811 109 HG13 VAL 20 3HG1 VAL 20 -5.713 0.696 5.096 110 HG21 VAL 20 3HG2 VAL 20 -3.439 -1.385 4.444 111 HG22 VAL 20 1HG2 VAL 20 -3.696 0.223 5.121 112 HG23 VAL 20 2HG2 VAL 20 -3.009 -1.057 6.122 113 H CYS 21 H CYS 21 -5.919 -4.053 6.019 114 HA CYS 21 HA CYS 21 -8.530 -3.952 7.371 115 HB2 CYS 21 1HB CYS 21 -9.229 -5.533 5.509 116 HB3 CYS 21 2HB CYS 21 -8.852 -3.884 5.020 117 H LYS 22 H LYS 22 -5.627 -5.752 7.037 118 HA LYS 22 HA LYS 22 -4.852 -7.626 8.069 119 HB2 LYS 22 1HB LYS 22 -7.393 -7.502 9.702 120 HB3 LYS 22 2HB LYS 22 -5.927 -8.384 10.108 121 HG2 LYS 22 1HG LYS 22 -5.701 -5.459 9.676 122 HG3 LYS 22 2HG LYS 22 -6.485 -6.022 11.153 123 HD2 LYS 22 1HD LYS 22 -4.529 -7.321 11.739 124 HD3 LYS 22 2HD LYS 22 -3.752 -6.890 10.214 125 HE2 LYS 22 1HE LYS 22 -3.301 -4.749 10.892 126 HE3 LYS 22 2HE LYS 22 -4.667 -4.698 12.006 127 HZ1 LYS 22 3HZ LYS 22 -3.473 -6.106 13.527 128 HZ2 LYS 22 1HZ LYS 22 -2.512 -4.767 13.145 129 HZ3 LYS 22 2HZ LYS 22 -2.185 -6.270 12.442 130 H GLU 23 H GLU 23 -6.272 -7.907 5.665 131 HA GLU 23 HA GLU 23 -7.826 -10.369 6.039 132 HB2 GLU 23 1HB GLU 23 -7.594 -8.485 3.690 133 HB3 GLU 23 2HB GLU 23 -8.466 -10.010 3.632 134 HG2 GLU 23 1HG GLU 23 -9.162 -8.099 5.789 135 HG3 GLU 23 2HG GLU 23 -9.672 -7.719 4.145 136 H ASP 24 H ASP 24 -6.005 -9.393 3.184 137 HA ASP 24 HA ASP 24 -3.744 -10.972 3.481 138 HB2 ASP 24 1HB ASP 24 -4.493 -12.853 1.850 139 HB3 ASP 24 2HB ASP 24 -4.919 -12.983 3.554 140 H TYR 25 H TYR 25 -2.732 -11.526 1.288 141 HA TYR 25 HA TYR 25 -3.283 -9.281 -0.516 142 HB2 TYR 25 1HB TYR 25 -0.844 -10.994 -0.066 143 HB3 TYR 25 2HB TYR 25 -0.991 -9.926 -1.457 144 HD1 TYR 25 1HD TYR 25 -2.320 -7.582 -0.237 145 HD2 TYR 25 2HD TYR 25 0.843 -10.025 1.223 146 HE1 TYR 25 1HE TYR 25 -1.500 -5.700 1.118 147 HE2 TYR 25 2HE TYR 25 1.671 -8.150 2.583 148 HH TYR 25 HH TYR 25 -0.145 -5.315 3.106 149 H ALA 26 H ALA 26 -2.269 -10.036 -2.860 150 HA ALA 26 HA ALA 26 -3.077 -12.645 -3.697 151 HB1 ALA 26 3HB ALA 26 -5.090 -12.288 -4.675 152 HB2 ALA 26 1HB ALA 26 -5.209 -11.066 -3.409 153 HB3 ALA 26 2HB ALA 26 -4.738 -10.600 -5.044 154 H LEU 27 H LEU 27 -1.908 -13.182 -5.427 155 HA LEU 27 HA LEU 27 0.132 -11.849 -6.514 156 HB2 LEU 27 1HB LEU 27 -1.776 -13.516 -8.146 157 HB3 LEU 27 2HB LEU 27 -0.095 -13.167 -8.544 158 HG LEU 27 HG LEU 27 -0.861 -14.664 -6.052 159 HD11 LEU 27 1HD1 LEU 27 0.121 -16.234 -8.319 160 HD12 LEU 27 2HD1 LEU 27 -1.504 -15.583 -8.531 161 HD13 LEU 27 3HD1 LEU 27 -1.137 -16.602 -7.139 162 HD21 LEU 27 3HD2 LEU 27 1.439 -15.522 -6.284 163 HD22 LEU 27 1HD2 LEU 27 1.384 -13.769 -6.098 164 HD23 LEU 27 2HD2 LEU 27 1.667 -14.479 -7.688 165 H GLY 28 H GLY 28 -3.197 -11.626 -7.759 166 HA2 GLY 28 1HA GLY 28 -2.487 -9.594 -9.673 167 HA3 GLY 28 2HA GLY 28 -4.108 -10.169 -9.311 168 H GLU 29 H GLU 29 -3.740 -9.652 -6.415 169 HA GLU 29 HA GLU 29 -4.851 -7.084 -6.305 170 HB2 GLU 29 1HB GLU 29 -3.771 -9.003 -4.296 171 HB3 GLU 29 2HB GLU 29 -4.051 -7.344 -3.785 172 HG2 GLU 29 1HG GLU 29 -6.379 -7.508 -4.443 173 HG3 GLU 29 2HG GLU 29 -6.114 -9.150 -5.027 174 H SER 30 H SER 30 -3.910 -5.195 -6.649 175 HA SER 30 HA SER 30 -1.118 -4.839 -6.843 176 HB2 SER 30 1HB SER 30 -2.870 -3.443 -7.994 177 HB3 SER 30 2HB SER 30 -3.181 -2.663 -6.443 178 HG SER 30 HG SER 30 -0.605 -2.542 -6.746 179 H VAL 31 H VAL 31 0.201 -5.029 -5.152 180 HA VAL 31 HA VAL 31 -0.626 -3.890 -2.570 181 HB VAL 31 HB VAL 31 1.567 -5.237 -1.883 182 HG11 VAL 31 1HG1 VAL 31 0.105 -7.139 -1.306 183 HG12 VAL 31 2HG1 VAL 31 -0.623 -5.580 -0.911 184 HG13 VAL 31 3HG1 VAL 31 -1.150 -6.464 -2.344 185 HG21 VAL 31 3HG2 VAL 31 2.062 -5.924 -4.192 186 HG22 VAL 31 1HG2 VAL 31 1.776 -7.307 -3.136 187 HG23 VAL 31 2HG2 VAL 31 0.521 -6.780 -4.257 188 H ARG 32 H ARG 32 0.833 -2.607 -1.366 189 HA ARG 32 HA ARG 32 3.017 -1.421 -2.948 190 HB2 ARG 32 1HB ARG 32 1.590 0.366 -2.949 191 HB3 ARG 32 2HB ARG 32 0.791 -0.134 -1.464 192 HG2 ARG 32 1HG ARG 32 2.252 0.980 -0.136 193 HG3 ARG 32 2HG ARG 32 3.605 0.756 -1.248 194 HD2 ARG 32 1HD ARG 32 2.588 2.422 -2.763 195 HD3 ARG 32 2HD ARG 32 1.306 2.681 -1.580 196 HE ARG 32 HE ARG 32 2.743 3.982 -0.370 197 HH11 ARG 32 1HH1 ARG 32 4.579 2.058 -2.617 198 HH12 ARG 32 2HH1 ARG 32 6.080 2.853 -2.273 199 HH21 ARG 32 1HH2 ARG 32 4.713 5.037 0.091 200 HH22 ARG 32 2HH2 ARG 32 6.155 4.547 -0.732 201 H GLN 33 H GLN 33 4.947 -1.209 -1.959 202 HA GLN 33 HA GLN 33 5.140 -2.184 0.799 203 HB2 GLN 33 1HB GLN 33 6.463 -3.298 -1.025 204 HB3 GLN 33 2HB GLN 33 7.374 -1.804 -1.198 205 HG2 GLN 33 1HG GLN 33 8.551 -2.137 0.698 206 HG3 GLN 33 2HG GLN 33 7.212 -2.934 1.522 207 HE21 GLN 33 1HE2 GLN 33 8.720 -4.504 2.252 208 HE22 GLN 33 2HE2 GLN 33 9.240 -5.778 1.208 209 H LEU 34 H LEU 34 6.126 -1.022 2.411 210 HA LEU 34 HA LEU 34 6.503 1.830 1.851 211 HB2 LEU 34 1HB LEU 34 5.886 0.262 4.326 212 HB3 LEU 34 2HB LEU 34 6.524 1.901 4.436 213 HG LEU 34 HG LEU 34 3.889 1.007 3.290 214 HD11 LEU 34 1HD1 LEU 34 4.426 3.115 5.357 215 HD12 LEU 34 2HD1 LEU 34 4.240 1.414 5.782 216 HD13 LEU 34 3HD1 LEU 34 2.916 2.277 4.999 217 HD21 LEU 34 3HD2 LEU 34 5.511 3.367 2.652 218 HD22 LEU 34 1HD2 LEU 34 3.849 3.718 3.124 219 HD23 LEU 34 2HD2 LEU 34 4.170 2.635 1.770 220 HA PRO 35 HA PRO 35 10.839 1.796 2.524 221 HB2 PRO 35 1HB PRO 35 11.229 4.079 3.940 222 HB3 PRO 35 2HB PRO 35 10.808 4.073 2.223 223 HG2 PRO 35 1HG PRO 35 9.044 4.497 4.604 224 HG3 PRO 35 2HG PRO 35 9.071 5.371 3.062 225 HD2 PRO 35 1HD PRO 35 7.248 3.446 3.613 226 HD3 PRO 35 2HD PRO 35 7.858 3.741 1.972 227 H CYS 36 H CYS 36 8.761 1.052 4.920 228 HA CYS 36 HA CYS 36 10.883 0.828 6.953 229 HB2 CYS 36 1HB CYS 36 8.902 0.565 8.557 230 HB3 CYS 36 2HB CYS 36 9.190 2.171 7.895 231 H ASN 37 H ASN 37 9.774 -0.952 4.629 232 HA ASN 37 HA ASN 37 9.824 -3.202 4.239 233 HB2 ASN 37 1HB ASN 37 10.107 -3.902 7.122 234 HB3 ASN 37 2HB ASN 37 10.892 -4.607 5.712 235 HD21 ASN 37 1HD2 ASN 37 11.777 -3.375 8.375 236 HD22 ASN 37 2HD2 ASN 37 13.066 -2.321 7.916 237 H HIS 38 H HIS 38 7.432 -1.696 4.902 238 HA HIS 38 HA HIS 38 5.747 -3.917 5.855 239 HB2 HIS 38 1HB HIS 38 5.496 -0.965 6.423 240 HB3 HIS 38 2HB HIS 38 4.158 -2.087 6.649 241 HD2 HIS 38 2HD HIS 38 5.616 -4.486 8.230 242 HE1 HIS 38 1HE HIS 38 6.985 -1.466 10.877 243 HE2 HIS 38 2HE HIS 38 6.682 -3.941 10.523 244 H LEU 39 H LEU 39 4.268 -4.591 4.448 245 HA LEU 39 HA LEU 39 3.794 -2.987 2.046 246 HB2 LEU 39 1HB LEU 39 3.525 -5.883 2.722 247 HB3 LEU 39 2HB LEU 39 2.601 -5.214 1.379 248 HG LEU 39 HG LEU 39 5.546 -4.761 1.455 249 HD11 LEU 39 1HD1 LEU 39 4.471 -7.337 1.660 250 HD12 LEU 39 2HD1 LEU 39 6.120 -6.890 1.226 251 HD13 LEU 39 3HD1 LEU 39 4.912 -7.130 -0.035 252 HD21 LEU 39 3HD2 LEU 39 5.186 -5.048 -1.017 253 HD22 LEU 39 1HD2 LEU 39 4.363 -3.668 -0.289 254 HD23 LEU 39 2HD2 LEU 39 3.456 -5.128 -0.681 255 H PHE 40 H PHE 40 1.634 -2.773 1.193 256 HA PHE 40 HA PHE 40 -0.616 -3.341 2.901 257 HB2 PHE 40 1HB PHE 40 0.017 -0.448 2.297 258 HB3 PHE 40 2HB PHE 40 -1.321 -1.065 3.262 259 HD1 PHE 40 2HD PHE 40 2.392 -0.946 3.146 260 HD2 PHE 40 1HD PHE 40 -1.101 -1.268 5.558 261 HE1 PHE 40 2HE PHE 40 3.778 -0.770 5.171 262 HE2 PHE 40 1HE PHE 40 0.280 -1.091 7.587 263 HZ PHE 40 HZ PHE 40 2.723 -0.843 7.395 264 H HIS 41 H HIS 41 -2.575 -3.253 1.824 265 HA HIS 41 HA HIS 41 -2.614 -3.711 -0.897 266 HB2 HIS 41 1HB HIS 41 -4.759 -2.792 1.005 267 HB3 HIS 41 2HB HIS 41 -5.102 -3.069 -0.700 268 HD2 HIS 41 2HD HIS 41 -3.631 -5.896 -1.180 269 HE1 HIS 41 1HE HIS 41 -5.829 -7.236 2.193 270 HE2 HIS 41 2HE HIS 41 -4.443 -7.924 0.206 271 H ASP 42 H ASP 42 -2.745 -2.493 -2.700 272 HA ASP 42 HA ASP 42 -1.977 0.206 -2.643 273 HB2 ASP 42 1HB ASP 42 -1.535 -1.182 -4.584 274 HB3 ASP 42 2HB ASP 42 -3.261 -1.407 -4.857 275 H SER 43 H SER 43 -4.926 -1.141 -1.899 276 HA SER 43 HA SER 43 -6.387 1.307 -2.641 277 HB2 SER 43 1HB SER 43 -7.383 -0.669 -3.632 278 HB3 SER 43 2HB SER 43 -7.421 -1.480 -2.066 279 HG SER 43 HG SER 43 -8.781 0.949 -2.599 280 H CYS 44 H CYS 44 -4.928 -0.223 -0.082 281 HA CYS 44 HA CYS 44 -6.787 0.918 1.891 282 HB2 CYS 44 1HB CYS 44 -4.643 -1.195 2.164 283 HB3 CYS 44 2HB CYS 44 -5.515 -0.510 3.531 284 H ILE 45 H ILE 45 -3.463 0.938 0.776 285 HA ILE 45 HA ILE 45 -2.623 2.773 2.861 286 HB ILE 45 HB ILE 45 -1.212 0.905 1.633 287 HG12 ILE 45 1HG1 ILE 45 0.821 2.087 2.293 288 HG13 ILE 45 2HG1 ILE 45 -0.050 3.617 2.309 289 HG21 ILE 45 1HG2 ILE 45 -1.484 1.808 -0.603 290 HG22 ILE 45 2HG2 ILE 45 -0.761 3.334 -0.096 291 HG23 ILE 45 3HG2 ILE 45 0.213 1.864 -0.125 292 HD11 ILE 45 3HD1 ILE 45 0.408 2.421 4.533 293 HD12 ILE 45 1HD1 ILE 45 -1.201 3.083 4.244 294 HD13 ILE 45 2HD1 ILE 45 -0.912 1.353 4.057 295 H VAL 46 H VAL 46 -3.072 2.825 -0.662 296 HA VAL 46 HA VAL 46 -2.229 5.292 -1.370 297 HB VAL 46 HB VAL 46 -4.524 3.637 -2.266 298 HG11 VAL 46 1HG1 VAL 46 -5.723 5.608 -2.420 299 HG12 VAL 46 2HG1 VAL 46 -4.288 6.577 -2.761 300 HG13 VAL 46 3HG1 VAL 46 -4.955 5.518 -4.005 301 HG21 VAL 46 3HG2 VAL 46 -1.972 3.755 -3.020 302 HG22 VAL 46 1HG2 VAL 46 -3.270 3.342 -4.140 303 HG23 VAL 46 2HG2 VAL 46 -2.625 4.983 -4.104 304 HA PRO 47 HA PRO 47 -6.319 7.396 0.122 305 HB2 PRO 47 1HB PRO 47 -7.974 5.921 1.690 306 HB3 PRO 47 2HB PRO 47 -8.096 5.952 -0.073 307 HG2 PRO 47 1HG PRO 47 -6.805 3.915 1.699 308 HG3 PRO 47 2HG PRO 47 -7.830 3.669 0.273 309 HD2 PRO 47 1HD PRO 47 -5.131 3.474 0.178 310 HD3 PRO 47 2HD PRO 47 -6.095 4.052 -1.196 311 H TRP 48 H TRP 48 -4.381 5.320 2.061 312 HA TRP 48 HA TRP 48 -4.973 6.636 4.562 313 HB2 TRP 48 1HB TRP 48 -4.373 4.282 4.595 314 HB3 TRP 48 2HB TRP 48 -2.836 4.632 3.809 315 HD1 TRP 48 HD TRP 48 -0.836 5.319 5.330 316 HE1 TRP 48 1HE TRP 48 -0.524 5.579 7.872 317 HE3 TRP 48 3HE TRP 48 -5.730 5.039 6.781 318 HZ2 TRP 48 2HZ TRP 48 -2.139 5.654 10.186 319 HZ3 TRP 48 3HZ TRP 48 -6.262 5.213 9.177 320 HH2 TRP 48 HH TRP 48 -4.502 5.514 10.843 321 H LEU 49 H LEU 49 -2.019 6.317 2.581 322 HA LEU 49 HA LEU 49 -0.484 8.200 3.929 323 HB2 LEU 49 1HB LEU 49 -0.334 7.772 0.960 324 HB3 LEU 49 2HB LEU 49 0.969 8.190 2.072 325 HG LEU 49 HG LEU 49 -0.436 5.523 1.911 326 HD11 LEU 49 1HD1 LEU 49 1.785 4.740 1.126 327 HD12 LEU 49 2HD1 LEU 49 2.299 6.424 1.024 328 HD13 LEU 49 3HD1 LEU 49 0.984 5.840 0.004 329 HD21 LEU 49 3HD2 LEU 49 2.067 6.047 3.452 330 HD22 LEU 49 1HD2 LEU 49 0.863 4.774 3.659 331 HD23 LEU 49 2HD2 LEU 49 0.501 6.422 4.174 332 H GLU 50 H GLU 50 -2.959 8.629 1.497 333 HA GLU 50 HA GLU 50 -2.360 11.347 0.899 334 HB2 GLU 50 1HB GLU 50 -4.807 9.638 0.483 335 HB3 GLU 50 2HB GLU 50 -4.755 11.330 0.008 336 HG2 GLU 50 1HG GLU 50 -2.773 10.800 -1.404 337 HG3 GLU 50 2HG GLU 50 -3.028 9.097 -1.027 338 H GLN 51 H GLN 51 -3.409 9.980 3.696 339 HA GLN 51 HA GLN 51 -4.829 12.433 4.501 340 HB2 GLN 51 1HB GLN 51 -5.391 9.561 5.124 341 HB3 GLN 51 2HB GLN 51 -5.813 10.795 6.304 342 HG2 GLN 51 1HG GLN 51 -6.933 11.912 4.181 343 HG3 GLN 51 2HG GLN 51 -6.979 10.235 3.640 344 HE21 GLN 51 1HE2 GLN 51 -9.331 10.784 3.749 345 HE22 GLN 51 2HE2 GLN 51 -10.144 10.484 5.242 346 H HIS 52 H HIS 52 -2.658 9.833 5.503 347 HA HIS 52 HA HIS 52 -1.750 11.534 7.731 348 HB2 HIS 52 1HB HIS 52 -1.276 8.567 7.541 349 HB3 HIS 52 2HB HIS 52 -1.186 9.600 8.964 350 HD2 HIS 52 2HD HIS 52 -3.970 8.020 6.669 351 HE1 HIS 52 1HE HIS 52 -5.666 9.075 10.411 352 HE2 HIS 52 2HE HIS 52 -6.033 7.882 8.224 353 H ASP 53 H ASP 53 -0.832 9.810 4.871 354 HA ASP 53 HA ASP 53 1.107 9.683 3.688 355 HB2 ASP 53 1HB ASP 53 0.837 12.256 4.231 356 HB3 ASP 53 2HB ASP 53 2.270 11.973 5.215 357 H SER 54 H SER 54 0.898 8.182 6.138 358 HA SER 54 HA SER 54 3.730 7.648 6.538 359 HB2 SER 54 1HB SER 54 1.918 8.031 8.927 360 HB3 SER 54 2HB SER 54 3.659 7.753 8.933 361 HG SER 54 HG SER 54 2.229 10.077 8.444 362 H CYS 55 H CYS 55 3.870 5.692 8.193 363 HA CYS 55 HA CYS 55 2.327 3.582 6.982 364 HB2 CYS 55 1HB CYS 55 4.718 3.281 7.496 365 HB3 CYS 55 2HB CYS 55 4.370 3.472 9.211 366 HA PRO 56 HA PRO 56 -0.894 3.720 10.040 367 HB2 PRO 56 1HB PRO 56 -2.217 1.513 9.175 368 HB3 PRO 56 2HB PRO 56 -2.308 3.073 8.349 369 HG2 PRO 56 1HG PRO 56 -0.637 0.676 7.694 370 HG3 PRO 56 2HG PRO 56 -1.555 1.732 6.604 371 HD2 PRO 56 1HD PRO 56 1.123 1.958 6.939 372 HD3 PRO 56 2HD PRO 56 0.083 3.354 6.593 373 H VAL 57 H VAL 57 1.697 1.710 9.942 374 HA VAL 57 HA VAL 57 0.715 0.048 12.169 375 HB VAL 57 HB VAL 57 2.960 -0.514 10.228 376 HG11 VAL 57 1HG1 VAL 57 1.968 -2.413 12.324 377 HG12 VAL 57 2HG1 VAL 57 3.476 -2.455 11.409 378 HG13 VAL 57 3HG1 VAL 57 3.247 -1.251 12.677 379 HG21 VAL 57 3HG2 VAL 57 0.843 -2.486 10.479 380 HG22 VAL 57 1HG2 VAL 57 0.243 -0.918 9.940 381 HG23 VAL 57 2HG2 VAL 57 1.519 -1.732 9.035 382 H CYS 58 H CYS 58 3.825 1.318 10.960 383 HA CYS 58 HA CYS 58 4.618 1.802 13.748 384 HB2 CYS 58 1HB CYS 58 6.912 1.772 12.969 385 HB3 CYS 58 2HB CYS 58 6.087 0.330 12.389 386 H ARG 59 H ARG 59 3.610 3.376 10.933 387 HA ARG 59 HA ARG 59 3.486 5.556 10.295 388 HB2 ARG 59 1HB ARG 59 3.966 6.054 13.239 389 HB3 ARG 59 2HB ARG 59 3.347 7.232 12.089 390 HG2 ARG 59 1HG ARG 59 1.937 4.633 12.568 391 HG3 ARG 59 2HG ARG 59 1.679 6.034 13.610 392 HD2 ARG 59 1HD ARG 59 1.488 6.414 10.668 393 HD3 ARG 59 2HD ARG 59 0.170 5.574 11.484 394 HE ARG 59 HE ARG 59 0.843 8.374 11.684 395 HH11 ARG 59 1HH1 ARG 59 -0.835 5.687 13.129 396 HH12 ARG 59 2HH1 ARG 59 -1.933 6.685 14.022 397 HH21 ARG 59 1HH2 ARG 59 -0.598 9.699 12.855 398 HH22 ARG 59 2HH2 ARG 59 -1.799 8.967 13.865 399 H LYS 60 H LYS 60 5.874 4.512 9.679 400 HA LYS 60 HA LYS 60 8.040 6.105 10.719 401 HB2 LYS 60 1HB LYS 60 7.750 3.875 8.778 402 HB3 LYS 60 2HB LYS 60 9.137 4.936 8.567 403 HG2 LYS 60 1HG LYS 60 8.599 3.878 11.287 404 HG3 LYS 60 2HG LYS 60 9.244 2.771 10.073 405 HD2 LYS 60 1HD LYS 60 11.236 3.901 9.906 406 HD3 LYS 60 2HD LYS 60 10.528 5.441 10.397 407 HE2 LYS 60 1HE LYS 60 10.349 4.634 12.692 408 HE3 LYS 60 2HE LYS 60 11.020 3.077 12.208 409 HZ1 LYS 60 3HZ LYS 60 13.055 4.261 11.531 410 HZ2 LYS 60 1HZ LYS 60 12.733 4.414 13.184 411 HZ3 LYS 60 2HZ LYS 60 12.408 5.701 12.137 412 H SER 61 H SER 61 8.225 8.171 10.160 413 HA SER 61 HA SER 61 7.012 9.659 8.316 414 HB2 SER 61 1HB SER 61 8.843 10.379 9.945 415 HB3 SER 61 2HB SER 61 9.995 9.950 8.681 416 HG SER 61 HG SER 61 9.523 12.108 8.453 417 H LEU 62 H LEU 62 6.654 9.492 6.214 418 HA LEU 62 HA LEU 62 8.526 7.973 4.555 419 HB2 LEU 62 1HB LEU 62 5.803 9.012 3.803 420 HB3 LEU 62 2HB LEU 62 6.762 7.805 2.949 421 HG LEU 62 HG LEU 62 5.610 7.396 5.706 422 HD11 LEU 62 1HD1 LEU 62 4.545 6.364 3.084 423 HD12 LEU 62 2HD1 LEU 62 3.861 7.727 3.969 424 HD13 LEU 62 3HD1 LEU 62 3.859 6.118 4.690 425 HD21 LEU 62 3HD2 LEU 62 7.557 6.020 5.194 426 HD22 LEU 62 1HD2 LEU 62 6.794 5.481 3.698 427 HD23 LEU 62 2HD2 LEU 62 6.090 5.042 5.255 428 H THR 63 H THR 63 9.362 10.531 5.372 429 HA THR 63 HA THR 63 9.900 11.708 2.803 430 HB THR 63 HB THR 63 7.715 12.747 3.390 431 HG1 THR 63 1HG THR 63 8.758 15.016 3.365 432 HG21 THR 63 3HG2 THR 63 9.259 13.974 5.677 433 HG22 THR 63 1HG2 THR 63 8.006 12.745 5.838 434 HG23 THR 63 2HG2 THR 63 7.597 14.345 5.221 435 H GLY 64 H GLY 64 11.803 12.817 2.789 436 HA2 GLY 64 1HA GLY 64 12.956 14.018 5.096 437 HA3 GLY 64 2HA GLY 64 13.671 12.440 4.797 438 H GLN 65 H GLN 65 15.527 12.570 3.747 439 HA GLN 65 HA GLN 65 16.612 14.800 2.568 440 HB2 GLN 65 1HB GLN 65 17.112 11.869 2.157 441 HB3 GLN 65 2HB GLN 65 17.996 13.064 1.217 442 HG2 GLN 65 1HG GLN 65 17.984 12.749 4.207 443 HG3 GLN 65 2HG GLN 65 19.319 12.434 3.100 444 HE21 GLN 65 1HE2 GLN 65 18.100 14.589 5.252 445 HE22 GLN 65 2HE2 GLN 65 18.899 16.023 4.714 446 H ASN 66 H ASN 66 15.270 12.038 0.746 447 HA ASN 66 HA ASN 66 13.911 13.765 -1.094 448 HB2 ASN 66 1HB ASN 66 16.371 12.269 -2.020 449 HB3 ASN 66 2HB ASN 66 15.175 12.970 -3.106 450 HD21 ASN 66 1HD2 ASN 66 17.779 13.591 -0.924 451 HD22 ASN 66 2HD2 ASN 66 17.967 15.268 -1.293 452 H THR 67 H THR 67 12.654 12.580 -2.671 453 HA THR 67 HA THR 67 12.518 9.691 -2.369 454 HB THR 67 HB THR 67 11.029 10.342 -0.602 455 HG1 THR 67 1HG THR 67 9.906 8.745 -1.435 456 HG21 THR 67 3HG2 THR 67 10.511 12.597 -1.059 457 HG22 THR 67 1HG2 THR 67 8.978 11.737 -1.205 458 HG23 THR 67 2HG2 THR 67 9.865 12.210 -2.654 459 H ALA 68 H ALA 68 11.593 8.648 -4.112 460 HA ALA 68 HA ALA 68 11.378 10.215 -6.528 461 HB1 ALA 68 3HB ALA 68 12.441 7.859 -6.206 462 HB2 ALA 68 1HB ALA 68 10.785 7.290 -6.418 463 HB3 ALA 68 2HB ALA 68 11.563 8.232 -7.690 464 H THR 69 H THR 69 9.237 8.064 -4.672 465 HA THR 69 HA THR 69 6.968 8.431 -6.314 466 HB THR 69 HB THR 69 5.670 7.510 -4.429 467 HG1 THR 69 1HG THR 69 8.077 8.045 -3.065 468 HG21 THR 69 3HG2 THR 69 8.113 6.240 -5.496 469 HG22 THR 69 1HG2 THR 69 6.437 5.699 -5.556 470 HG23 THR 69 2HG2 THR 69 7.389 5.461 -4.090 471 H ASN 70 H ASN 70 5.546 10.045 -6.448 472 HA ASN 70 HA ASN 70 5.942 12.499 -5.140 473 HB2 ASN 70 1HB ASN 70 3.750 11.353 -6.832 474 HB3 ASN 70 2HB ASN 70 3.494 12.889 -6.010 475 HD21 ASN 70 1HD2 ASN 70 3.930 14.586 -7.196 476 HD22 ASN 70 2HD2 ASN 70 5.111 14.681 -8.454 477 HA PRO 71 HA PRO 71 3.915 11.981 -1.273 478 HB2 PRO 71 1HB PRO 71 3.209 14.556 -0.778 479 HB3 PRO 71 2HB PRO 71 4.876 13.978 -0.664 480 HG2 PRO 71 1HG PRO 71 3.530 15.455 -2.894 481 HG3 PRO 71 2HG PRO 71 5.147 15.697 -2.206 482 HD2 PRO 71 1HD PRO 71 4.734 14.348 -4.517 483 HD3 PRO 71 2HD PRO 71 6.055 13.947 -3.400 484 HA PRO 72 HA PRO 72 -0.343 11.529 -2.566 485 HB2 PRO 72 1HB PRO 72 -1.177 10.278 -0.305 486 HB3 PRO 72 2HB PRO 72 -0.267 9.456 -1.578 487 HG2 PRO 72 1HG PRO 72 0.706 10.584 1.018 488 HG3 PRO 72 2HG PRO 72 1.121 9.045 0.242 489 HD2 PRO 72 1HD PRO 72 2.733 11.217 0.125 490 HD3 PRO 72 2HD PRO 72 2.631 10.031 -1.193 491 H GLY 73 H GLY 73 0.944 13.400 -0.039 492 HA2 GLY 73 1HA GLY 73 -1.716 14.493 0.621 493 HA3 GLY 73 2HA GLY 73 -0.303 14.603 1.660 494 H LEU 74 H LEU 74 -1.417 16.904 1.423 495 HA LEU 74 HA LEU 74 -1.250 19.060 0.708 496 HB2 LEU 74 1HB LEU 74 1.183 18.283 1.311 497 HB3 LEU 74 2HB LEU 74 1.443 18.455 -0.423 498 HG LEU 74 HG LEU 74 0.617 20.836 -0.178 499 HD11 LEU 74 1HD1 LEU 74 1.234 20.477 2.734 500 HD12 LEU 74 2HD1 LEU 74 -0.406 20.309 2.109 501 HD13 LEU 74 3HD1 LEU 74 0.455 21.837 1.924 502 HD21 LEU 74 3HD2 LEU 74 2.872 20.780 -0.513 503 HD22 LEU 74 1HD2 LEU 74 3.166 19.729 0.872 504 HD23 LEU 74 2HD2 LEU 74 2.842 21.444 1.121 505 H THR 75 H THR 75 -2.596 17.457 -1.084 506 HA THR 75 HA THR 75 -1.640 18.381 -3.712 507 HB THR 75 HB THR 75 -3.611 16.160 -3.139 508 HG1 THR 75 1HG THR 75 -0.890 16.213 -3.129 509 HG21 THR 75 3HG2 THR 75 -3.914 15.940 -5.359 510 HG22 THR 75 1HG2 THR 75 -2.222 16.277 -5.723 511 HG23 THR 75 2HG2 THR 75 -3.344 17.607 -5.436 512 H GLY 76 H GLY 76 -4.662 17.821 -1.895 513 HA2 GLY 76 1HA GLY 76 -5.821 20.259 -2.088 514 HA3 GLY 76 2HA GLY 76 -6.148 19.554 -3.665 515 H VAL 77 H VAL 77 -6.159 18.256 -0.344 516 HA VAL 77 HA VAL 77 -8.773 17.052 -0.911 517 HB VAL 77 HB VAL 77 -8.376 15.653 1.066 518 HG11 VAL 77 1HG1 VAL 77 -5.833 15.374 -0.427 519 HG12 VAL 77 2HG1 VAL 77 -7.063 14.168 -0.043 520 HG13 VAL 77 3HG1 VAL 77 -7.327 15.311 -1.361 521 HG21 VAL 77 3HG2 VAL 77 -7.016 16.441 2.647 522 HG22 VAL 77 1HG2 VAL 77 -5.672 15.962 1.610 523 HG23 VAL 77 2HG2 VAL 77 -6.295 17.610 1.541 524 H GLY 78 H GLY 78 -10.516 17.258 0.540 525 HA2 GLY 78 1HA GLY 78 -10.395 18.851 2.893 526 HA3 GLY 78 2HA GLY 78 -11.017 19.790 1.544 Start of MODEL 3 1 H1 GLY 1 H GLY 1 10.133 -26.051 -14.176 2 HA2 GLY 1 1HA GLY 1 7.676 -25.273 -13.103 3 HA3 GLY 1 2HA GLY 1 8.086 -26.910 -13.596 4 H SER 2 H SER 2 8.149 -28.427 -12.071 5 HA SER 2 HA SER 2 7.208 -28.262 -9.575 6 HB2 SER 2 1HB SER 2 9.552 -29.971 -10.439 7 HB3 SER 2 2HB SER 2 8.620 -30.225 -8.963 8 HG SER 2 HG SER 2 7.928 -31.516 -10.775 9 H SER 3 H SER 3 7.883 -27.770 -7.517 10 HA SER 3 HA SER 3 10.178 -25.989 -7.354 11 HB2 SER 3 1HB SER 3 9.293 -25.317 -5.205 12 HB3 SER 3 2HB SER 3 7.968 -25.354 -6.368 13 HG SER 3 HG SER 3 7.363 -26.372 -4.436 14 H GLY 4 H GLY 4 11.314 -26.141 -5.061 15 HA2 GLY 4 1HA GLY 4 12.830 -28.531 -5.103 16 HA3 GLY 4 2HA GLY 4 12.905 -27.287 -3.865 17 H SER 5 H SER 5 12.349 -27.907 -1.894 18 HA SER 5 HA SER 5 10.642 -30.289 -1.616 19 HB2 SER 5 1HB SER 5 12.829 -29.179 0.143 20 HB3 SER 5 2HB SER 5 11.694 -30.404 0.709 21 HG SER 5 HG SER 5 13.846 -30.998 -0.381 22 H SER 6 H SER 6 11.371 -27.161 -0.087 23 HA SER 6 HA SER 6 8.832 -27.237 1.340 24 HB2 SER 6 1HB SER 6 11.279 -25.510 1.475 25 HB3 SER 6 2HB SER 6 9.759 -24.918 2.146 26 HG SER 6 HG SER 6 10.478 -25.999 3.827 27 H GLY 7 H GLY 7 7.288 -25.518 1.207 28 HA2 GLY 7 1HA GLY 7 7.286 -24.221 -1.446 29 HA3 GLY 7 2HA GLY 7 5.837 -24.738 -0.597 30 H THR 8 H THR 8 8.500 -22.424 -0.545 31 HA THR 8 HA THR 8 6.724 -20.372 0.438 32 HB THR 8 HB THR 8 7.385 -21.335 2.562 33 HG1 THR 8 1HG THR 8 7.284 -19.032 2.420 34 HG21 THR 8 3HG2 THR 8 9.887 -21.705 1.247 35 HG22 THR 8 1HG2 THR 8 9.373 -22.302 2.824 36 HG23 THR 8 2HG2 THR 8 10.150 -20.724 2.689 37 H GLU 9 H GLU 9 7.350 -18.369 -0.201 38 HA GLU 9 HA GLU 9 10.071 -18.050 -1.267 39 HB2 GLU 9 1HB GLU 9 7.468 -17.399 -2.632 40 HB3 GLU 9 2HB GLU 9 8.969 -16.602 -3.082 41 HG2 GLU 9 1HG GLU 9 9.954 -18.832 -3.536 42 HG3 GLU 9 2HG GLU 9 8.374 -19.547 -3.222 43 H GLU 10 H GLU 10 10.333 -15.576 -1.883 44 HA GLU 10 HA GLU 10 10.413 -14.131 0.472 45 HB2 GLU 10 1HB GLU 10 11.492 -13.726 -1.908 46 HB3 GLU 10 2HB GLU 10 10.110 -12.657 -2.108 47 HG2 GLU 10 1HG GLU 10 10.777 -11.300 -0.290 48 HG3 GLU 10 2HG GLU 10 11.987 -12.473 0.229 49 H HIS 11 H HIS 11 8.067 -13.784 -2.188 50 HA HIS 11 HA HIS 11 6.164 -12.672 -0.237 51 HB2 HIS 11 1HB HIS 11 6.766 -10.768 -1.471 52 HB3 HIS 11 2HB HIS 11 6.858 -11.664 -2.984 53 HD2 HIS 11 2HD HIS 11 3.661 -11.674 -0.690 54 HE1 HIS 11 1HE HIS 11 2.726 -9.808 -4.384 55 HE2 HIS 11 2HE HIS 11 1.839 -10.563 -2.151 56 H VAL 12 H VAL 12 5.468 -14.935 -0.139 57 HA VAL 12 HA VAL 12 3.876 -15.751 -2.478 58 HB VAL 12 HB VAL 12 5.542 -17.407 -1.843 59 HG11 VAL 12 1HG1 VAL 12 5.339 -18.563 0.358 60 HG12 VAL 12 2HG1 VAL 12 5.880 -16.887 0.469 61 HG13 VAL 12 3HG1 VAL 12 4.211 -17.304 0.858 62 HG21 VAL 12 3HG2 VAL 12 4.143 -19.092 -2.298 63 HG22 VAL 12 1HG2 VAL 12 3.214 -18.833 -0.822 64 HG23 VAL 12 2HG2 VAL 12 2.867 -17.875 -2.261 65 H GLY 13 H GLY 13 3.795 -15.178 0.988 66 HA2 GLY 13 1HA GLY 13 1.441 -14.172 1.469 67 HA3 GLY 13 2HA GLY 13 0.926 -15.798 1.048 68 H SER 14 H SER 14 3.748 -14.732 2.915 69 HA SER 14 HA SER 14 2.863 -16.486 5.092 70 HB2 SER 14 1HB SER 14 5.193 -16.668 4.015 71 HB3 SER 14 2HB SER 14 5.572 -15.180 4.883 72 HG SER 14 HG SER 14 5.318 -16.219 6.794 73 H GLY 15 H GLY 15 1.570 -15.397 6.454 74 HA2 GLY 15 1HA GLY 15 0.737 -13.613 7.692 75 HA3 GLY 15 2HA GLY 15 2.339 -13.736 8.404 76 H LEU 16 H LEU 16 1.246 -12.566 5.227 77 HA LEU 16 HA LEU 16 2.590 -10.014 5.829 78 HB2 LEU 16 1HB LEU 16 2.641 -9.866 3.244 79 HB3 LEU 16 2HB LEU 16 3.821 -10.870 4.085 80 HG LEU 16 HG LEU 16 2.653 -12.870 3.471 81 HD11 LEU 16 1HD1 LEU 16 0.659 -12.360 1.757 82 HD12 LEU 16 2HD1 LEU 16 0.482 -10.974 2.832 83 HD13 LEU 16 3HD1 LEU 16 0.410 -12.610 3.485 84 HD21 LEU 16 3HD2 LEU 16 3.714 -12.806 1.525 85 HD22 LEU 16 1HD2 LEU 16 3.750 -11.044 1.599 86 HD23 LEU 16 2HD2 LEU 16 2.395 -11.867 0.825 87 H GLU 17 H GLU 17 -0.375 -11.406 5.500 88 HA GLU 17 HA GLU 17 -1.990 -9.997 3.889 89 HB2 GLU 17 1HB GLU 17 -3.757 -10.143 5.593 90 HB3 GLU 17 2HB GLU 17 -2.843 -11.639 5.471 91 HG2 GLU 17 1HG GLU 17 -1.496 -10.849 7.441 92 HG3 GLU 17 2HG GLU 17 -2.671 -9.547 7.619 93 H CYS 18 H CYS 18 -2.894 -7.989 3.722 94 HA CYS 18 HA CYS 18 -1.468 -5.769 4.588 95 HB2 CYS 18 1HB CYS 18 -2.831 -5.355 2.752 96 HB3 CYS 18 2HB CYS 18 -4.222 -6.155 3.477 97 HA PRO 19 HA PRO 19 -2.707 -5.472 8.835 98 HB2 PRO 19 1HB PRO 19 -1.581 -3.050 9.324 99 HB3 PRO 19 2HB PRO 19 -0.639 -4.541 9.203 100 HG2 PRO 19 1HG PRO 19 -1.087 -2.411 7.147 101 HG3 PRO 19 2HG PRO 19 0.410 -3.264 7.567 102 HD2 PRO 19 1HD PRO 19 -1.084 -3.921 5.406 103 HD3 PRO 19 2HD PRO 19 -0.151 -5.122 6.322 104 H VAL 20 H VAL 20 -3.295 -2.928 6.468 105 HA VAL 20 HA VAL 20 -4.936 -1.227 7.895 106 HB VAL 20 HB VAL 20 -5.476 -1.988 5.030 107 HG11 VAL 20 1HG1 VAL 20 -5.567 0.817 5.753 108 HG12 VAL 20 2HG1 VAL 20 -6.785 -0.186 4.963 109 HG13 VAL 20 3HG1 VAL 20 -6.675 -0.153 6.723 110 HG21 VAL 20 3HG2 VAL 20 -3.476 -1.252 4.404 111 HG22 VAL 20 1HG2 VAL 20 -3.750 0.275 5.244 112 HG23 VAL 20 2HG2 VAL 20 -3.024 -1.085 6.101 113 H CYS 21 H CYS 21 -5.907 -4.091 6.013 114 HA CYS 21 HA CYS 21 -8.509 -4.022 7.385 115 HB2 CYS 21 1HB CYS 21 -9.196 -5.612 5.516 116 HB3 CYS 21 2HB CYS 21 -8.869 -3.947 5.045 117 H LYS 22 H LYS 22 -5.590 -5.786 7.024 118 HA LYS 22 HA LYS 22 -4.789 -7.660 8.036 119 HB2 LYS 22 1HB LYS 22 -7.320 -7.576 9.686 120 HB3 LYS 22 2HB LYS 22 -5.840 -8.441 10.078 121 HG2 LYS 22 1HG LYS 22 -5.663 -5.508 9.663 122 HG3 LYS 22 2HG LYS 22 -6.418 -6.097 11.146 123 HD2 LYS 22 1HD LYS 22 -4.421 -7.404 11.654 124 HD3 LYS 22 2HD LYS 22 -3.669 -6.856 10.153 125 HE2 LYS 22 1HE LYS 22 -3.286 -4.748 10.956 126 HE3 LYS 22 2HE LYS 22 -4.660 -4.800 12.058 127 HZ1 LYS 22 3HZ LYS 22 -2.400 -4.876 13.115 128 HZ2 LYS 22 1HZ LYS 22 -2.221 -6.429 12.468 129 HZ3 LYS 22 2HZ LYS 22 -3.457 -6.113 13.578 130 H GLU 23 H GLU 23 -6.216 -7.944 5.639 131 HA GLU 23 HA GLU 23 -7.742 -10.424 6.008 132 HB2 GLU 23 1HB GLU 23 -7.547 -8.522 3.671 133 HB3 GLU 23 2HB GLU 23 -8.401 -10.057 3.607 134 HG2 GLU 23 1HG GLU 23 -9.107 -8.170 5.782 135 HG3 GLU 23 2HG GLU 23 -9.631 -7.783 4.143 136 H ASP 24 H ASP 24 -5.958 -9.415 3.143 137 HA ASP 24 HA ASP 24 -3.673 -10.962 3.413 138 HB2 ASP 24 1HB ASP 24 -4.332 -12.890 1.876 139 HB3 ASP 24 2HB ASP 24 -4.933 -12.960 3.530 140 H TYR 25 H TYR 25 -2.690 -11.515 1.198 141 HA TYR 25 HA TYR 25 -3.294 -9.275 -0.598 142 HB2 TYR 25 1HB TYR 25 -0.818 -10.958 -0.215 143 HB3 TYR 25 2HB TYR 25 -1.005 -9.829 -1.553 144 HD1 TYR 25 1HD TYR 25 -2.358 -7.570 -0.203 145 HD2 TYR 25 2HD TYR 25 0.875 -10.016 1.088 146 HE1 TYR 25 1HE TYR 25 -1.550 -5.738 1.225 147 HE2 TYR 25 2HE TYR 25 1.691 -8.191 2.521 148 HH TYR 25 HH TYR 25 -0.161 -5.265 3.005 149 H ALA 26 H ALA 26 -2.288 -10.016 -2.950 150 HA ALA 26 HA ALA 26 -3.035 -12.640 -3.781 151 HB1 ALA 26 3HB ALA 26 -4.786 -11.100 -5.366 152 HB2 ALA 26 1HB ALA 26 -5.194 -12.363 -4.203 153 HB3 ALA 26 2HB ALA 26 -5.108 -10.679 -3.683 154 H LEU 27 H LEU 27 -1.991 -13.140 -5.616 155 HA LEU 27 HA LEU 27 0.012 -11.713 -6.719 156 HB2 LEU 27 1HB LEU 27 -1.857 -13.682 -7.995 157 HB3 LEU 27 2HB LEU 27 -0.510 -12.981 -8.890 158 HG LEU 27 HG LEU 27 -0.214 -14.566 -6.341 159 HD11 LEU 27 1HD1 LEU 27 -0.847 -16.253 -7.721 160 HD12 LEU 27 2HD1 LEU 27 0.852 -16.158 -8.184 161 HD13 LEU 27 3HD1 LEU 27 -0.378 -15.385 -9.183 162 HD21 LEU 27 3HD2 LEU 27 2.074 -14.471 -8.071 163 HD22 LEU 27 1HD2 LEU 27 1.924 -13.974 -6.386 164 HD23 LEU 27 2HD2 LEU 27 1.540 -12.837 -7.678 165 H GLY 28 H GLY 28 -3.385 -11.563 -7.730 166 HA2 GLY 28 1HA GLY 28 -2.837 -9.585 -9.761 167 HA3 GLY 28 2HA GLY 28 -4.419 -10.177 -9.277 168 H GLU 29 H GLU 29 -3.707 -9.566 -6.407 169 HA GLU 29 HA GLU 29 -4.864 -6.975 -6.326 170 HB2 GLU 29 1HB GLU 29 -3.869 -8.942 -4.339 171 HB3 GLU 29 2HB GLU 29 -3.966 -7.268 -3.813 172 HG2 GLU 29 1HG GLU 29 -6.307 -8.540 -5.154 173 HG3 GLU 29 2HG GLU 29 -5.978 -8.866 -3.454 174 H SER 30 H SER 30 -3.897 -5.088 -6.604 175 HA SER 30 HA SER 30 -1.080 -4.836 -6.859 176 HB2 SER 30 1HB SER 30 -2.770 -3.418 -8.059 177 HB3 SER 30 2HB SER 30 -3.095 -2.603 -6.529 178 HG SER 30 HG SER 30 -0.548 -2.471 -6.713 179 H VAL 31 H VAL 31 0.151 -5.152 -5.101 180 HA VAL 31 HA VAL 31 -0.632 -3.908 -2.564 181 HB VAL 31 HB VAL 31 1.539 -5.265 -1.847 182 HG11 VAL 31 1HG1 VAL 31 -0.604 -5.633 -0.854 183 HG12 VAL 31 2HG1 VAL 31 -1.208 -6.411 -2.318 184 HG13 VAL 31 3HG1 VAL 31 0.037 -7.199 -1.349 185 HG21 VAL 31 3HG2 VAL 31 1.974 -5.935 -4.221 186 HG22 VAL 31 1HG2 VAL 31 1.864 -7.279 -3.086 187 HG23 VAL 31 2HG2 VAL 31 0.507 -6.911 -4.151 188 H ARG 32 H ARG 32 0.818 -2.609 -1.378 189 HA ARG 32 HA ARG 32 3.020 -1.460 -2.964 190 HB2 ARG 32 1HB ARG 32 1.604 0.337 -2.978 191 HB3 ARG 32 2HB ARG 32 0.804 -0.145 -1.488 192 HG2 ARG 32 1HG ARG 32 2.275 0.969 -0.171 193 HG3 ARG 32 2HG ARG 32 3.624 0.727 -1.283 194 HD2 ARG 32 1HD ARG 32 2.609 2.386 -2.810 195 HD3 ARG 32 2HD ARG 32 1.339 2.666 -1.620 196 HE ARG 32 HE ARG 32 2.825 3.886 -0.353 197 HH11 ARG 32 1HH1 ARG 32 4.524 2.220 -2.894 198 HH12 ARG 32 2HH1 ARG 32 6.009 3.075 -2.639 199 HH21 ARG 32 1HH2 ARG 32 4.775 5.018 -0.007 200 HH22 ARG 32 2HH2 ARG 32 6.151 4.665 -0.996 201 H GLN 33 H GLN 33 4.951 -1.243 -1.974 202 HA GLN 33 HA GLN 33 5.136 -2.199 0.792 203 HB2 GLN 33 1HB GLN 33 6.447 -3.343 -1.025 204 HB3 GLN 33 2HB GLN 33 7.375 -1.859 -1.206 205 HG2 GLN 33 1HG GLN 33 8.542 -2.188 0.699 206 HG3 GLN 33 2HG GLN 33 7.195 -2.975 1.520 207 HE21 GLN 33 1HE2 GLN 33 8.720 -4.537 2.257 208 HE22 GLN 33 2HE2 GLN 33 9.225 -5.823 1.220 209 H LEU 34 H LEU 34 6.126 -1.028 2.392 210 HA LEU 34 HA LEU 34 6.535 1.814 1.801 211 HB2 LEU 34 1HB LEU 34 5.891 0.278 4.289 212 HB3 LEU 34 2HB LEU 34 6.556 1.907 4.389 213 HG LEU 34 HG LEU 34 3.908 1.049 3.249 214 HD11 LEU 34 1HD1 LEU 34 2.964 2.393 4.932 215 HD12 LEU 34 2HD1 LEU 34 4.509 3.158 5.302 216 HD13 LEU 34 3HD1 LEU 34 4.238 1.468 5.729 217 HD21 LEU 34 3HD2 LEU 34 4.220 2.650 1.707 218 HD22 LEU 34 1HD2 LEU 34 5.573 3.370 2.580 219 HD23 LEU 34 2HD2 LEU 34 3.917 3.758 3.046 220 HA PRO 35 HA PRO 35 10.868 1.746 2.485 221 HB2 PRO 35 1HB PRO 35 11.278 4.036 3.884 222 HB3 PRO 35 2HB PRO 35 10.860 4.022 2.166 223 HG2 PRO 35 1HG PRO 35 9.096 4.479 4.541 224 HG3 PRO 35 2HG PRO 35 9.133 5.342 2.993 225 HD2 PRO 35 1HD PRO 35 7.292 3.438 3.556 226 HD3 PRO 35 2HD PRO 35 7.907 3.716 1.914 227 H CYS 36 H CYS 36 8.778 1.046 4.886 228 HA CYS 36 HA CYS 36 10.893 0.819 6.925 229 HB2 CYS 36 1HB CYS 36 8.904 0.578 8.523 230 HB3 CYS 36 2HB CYS 36 9.207 2.178 7.854 231 H ASN 37 H ASN 37 9.792 -0.972 4.610 232 HA ASN 37 HA ASN 37 9.826 -3.225 4.237 233 HB2 ASN 37 1HB ASN 37 10.092 -3.916 7.121 234 HB3 ASN 37 2HB ASN 37 10.891 -4.619 5.718 235 HD21 ASN 37 1HD2 ASN 37 12.206 -2.726 4.526 236 HD22 ASN 37 2HD2 ASN 37 13.322 -1.927 5.575 237 H HIS 38 H HIS 38 7.443 -1.683 4.923 238 HA HIS 38 HA HIS 38 5.743 -3.893 5.876 239 HB2 HIS 38 1HB HIS 38 5.501 -0.933 6.411 240 HB3 HIS 38 2HB HIS 38 4.163 -2.053 6.656 241 HD2 HIS 38 2HD HIS 38 5.674 -4.436 8.243 242 HE1 HIS 38 1HE HIS 38 6.971 -1.376 10.880 243 HE2 HIS 38 2HE HIS 38 6.724 -3.859 10.535 244 H LEU 39 H LEU 39 4.268 -4.574 4.469 245 HA LEU 39 HA LEU 39 3.806 -2.990 2.052 246 HB2 LEU 39 1HB LEU 39 3.521 -5.876 2.759 247 HB3 LEU 39 2HB LEU 39 2.592 -5.219 1.413 248 HG LEU 39 HG LEU 39 5.541 -4.783 1.471 249 HD11 LEU 39 1HD1 LEU 39 4.894 -7.150 -0.008 250 HD12 LEU 39 2HD1 LEU 39 4.433 -7.351 1.682 251 HD13 LEU 39 3HD1 LEU 39 6.092 -6.919 1.266 252 HD21 LEU 39 3HD2 LEU 39 3.438 -5.143 -0.653 253 HD22 LEU 39 1HD2 LEU 39 5.167 -5.078 -0.997 254 HD23 LEU 39 2HD2 LEU 39 4.359 -3.687 -0.273 255 H PHE 40 H PHE 40 1.643 -2.791 1.186 256 HA PHE 40 HA PHE 40 -0.613 -3.319 2.894 257 HB2 PHE 40 1HB PHE 40 0.044 -0.434 2.276 258 HB3 PHE 40 2HB PHE 40 -1.302 -1.034 3.239 259 HD1 PHE 40 2HD PHE 40 2.409 -0.913 3.137 260 HD2 PHE 40 1HD PHE 40 -1.089 -1.261 5.537 261 HE1 PHE 40 2HE PHE 40 3.788 -0.736 5.166 262 HE2 PHE 40 1HE PHE 40 0.285 -1.084 7.571 263 HZ PHE 40 HZ PHE 40 2.727 -0.823 7.387 264 H HIS 41 H HIS 41 -2.566 -3.230 1.808 265 HA HIS 41 HA HIS 41 -2.593 -3.691 -0.915 266 HB2 HIS 41 1HB HIS 41 -4.746 -2.773 0.978 267 HB3 HIS 41 2HB HIS 41 -5.082 -3.057 -0.727 268 HD2 HIS 41 2HD HIS 41 -3.588 -5.882 -1.182 269 HE1 HIS 41 1HE HIS 41 -5.823 -7.216 2.167 270 HE2 HIS 41 2HE HIS 41 -4.409 -7.907 0.201 271 H ASP 42 H ASP 42 -2.753 -2.475 -2.722 272 HA ASP 42 HA ASP 42 -1.970 0.221 -2.669 273 HB2 ASP 42 1HB ASP 42 -1.549 -1.166 -4.614 274 HB3 ASP 42 2HB ASP 42 -3.277 -1.385 -4.873 275 H SER 43 H SER 43 -4.913 -1.107 -1.888 276 HA SER 43 HA SER 43 -6.369 1.348 -2.616 277 HB2 SER 43 1HB SER 43 -7.480 -0.486 -3.630 278 HB3 SER 43 2HB SER 43 -7.322 -1.482 -2.183 279 HG SER 43 HG SER 43 -8.995 0.765 -2.586 280 H CYS 44 H CYS 44 -4.898 -0.196 -0.077 281 HA CYS 44 HA CYS 44 -6.745 0.927 1.916 282 HB2 CYS 44 1HB CYS 44 -4.602 -1.190 2.146 283 HB3 CYS 44 2HB CYS 44 -5.438 -0.504 3.536 284 H ILE 45 H ILE 45 -3.431 0.968 0.775 285 HA ILE 45 HA ILE 45 -2.585 2.796 2.865 286 HB ILE 45 HB ILE 45 -1.174 0.935 1.628 287 HG12 ILE 45 1HG1 ILE 45 0.848 2.090 2.311 288 HG13 ILE 45 2HG1 ILE 45 0.015 3.640 2.276 289 HG21 ILE 45 1HG2 ILE 45 0.241 1.899 -0.133 290 HG22 ILE 45 2HG2 ILE 45 -1.456 1.841 -0.605 291 HG23 ILE 45 3HG2 ILE 45 -0.734 3.368 -0.098 292 HD11 ILE 45 3HD1 ILE 45 -0.941 1.452 4.068 293 HD12 ILE 45 1HD1 ILE 45 0.419 2.472 4.535 294 HD13 ILE 45 2HD1 ILE 45 -1.157 3.196 4.215 295 H VAL 46 H VAL 46 -3.049 2.856 -0.655 296 HA VAL 46 HA VAL 46 -2.215 5.335 -1.349 297 HB VAL 46 HB VAL 46 -4.481 3.656 -2.271 298 HG11 VAL 46 1HG1 VAL 46 -4.284 6.602 -2.750 299 HG12 VAL 46 2HG1 VAL 46 -4.938 5.538 -3.998 300 HG13 VAL 46 3HG1 VAL 46 -5.706 5.615 -2.411 301 HG21 VAL 46 3HG2 VAL 46 -1.886 4.646 -3.251 302 HG22 VAL 46 1HG2 VAL 46 -2.688 3.098 -3.517 303 HG23 VAL 46 2HG2 VAL 46 -3.157 4.509 -4.466 304 HA PRO 47 HA PRO 47 -6.338 7.390 0.120 305 HB2 PRO 47 1HB PRO 47 -7.991 5.890 1.665 306 HB3 PRO 47 2HB PRO 47 -8.098 5.931 -0.099 307 HG2 PRO 47 1HG PRO 47 -6.803 3.896 1.674 308 HG3 PRO 47 2HG PRO 47 -7.813 3.648 0.238 309 HD2 PRO 47 1HD PRO 47 -5.111 3.480 0.165 310 HD3 PRO 47 2HD PRO 47 -6.069 4.056 -1.214 311 H TRP 48 H TRP 48 -4.369 5.346 2.049 312 HA TRP 48 HA TRP 48 -5.002 6.647 4.555 313 HB2 TRP 48 1HB TRP 48 -4.407 4.300 4.617 314 HB3 TRP 48 2HB TRP 48 -2.877 4.628 3.809 315 HD1 TRP 48 HD TRP 48 -0.858 5.385 5.292 316 HE1 TRP 48 1HE TRP 48 -0.510 5.636 7.830 317 HE3 TRP 48 3HE TRP 48 -5.720 4.988 6.822 318 HZ2 TRP 48 2HZ TRP 48 -2.087 5.662 10.171 319 HZ3 TRP 48 3HZ TRP 48 -6.215 5.136 9.228 320 HH2 TRP 48 HH TRP 48 -4.435 5.466 10.866 321 H LEU 49 H LEU 49 -2.033 6.330 2.595 322 HA LEU 49 HA LEU 49 -0.503 8.204 3.957 323 HB2 LEU 49 1HB LEU 49 -0.349 7.787 0.987 324 HB3 LEU 49 2HB LEU 49 0.952 8.212 2.097 325 HG LEU 49 HG LEU 49 -0.440 5.538 1.955 326 HD11 LEU 49 1HD1 LEU 49 2.013 4.922 1.298 327 HD12 LEU 49 2HD1 LEU 49 2.089 6.610 0.793 328 HD13 LEU 49 3HD1 LEU 49 0.890 5.530 0.082 329 HD21 LEU 49 3HD2 LEU 49 0.505 6.420 4.202 330 HD22 LEU 49 1HD2 LEU 49 2.077 6.120 3.462 331 HD23 LEU 49 2HD2 LEU 49 0.931 4.795 3.665 332 H GLU 50 H GLU 50 -2.977 8.652 1.532 333 HA GLU 50 HA GLU 50 -2.376 11.364 0.927 334 HB2 GLU 50 1HB GLU 50 -4.813 9.642 0.542 335 HB3 GLU 50 2HB GLU 50 -4.821 11.348 0.119 336 HG2 GLU 50 1HG GLU 50 -2.728 10.791 -1.269 337 HG3 GLU 50 2HG GLU 50 -3.248 9.116 -1.098 338 H GLN 51 H GLN 51 -3.393 10.010 3.746 339 HA GLN 51 HA GLN 51 -4.746 12.490 4.579 340 HB2 GLN 51 1HB GLN 51 -5.405 9.634 5.153 341 HB3 GLN 51 2HB GLN 51 -5.749 10.844 6.382 342 HG2 GLN 51 1HG GLN 51 -6.674 11.376 3.615 343 HG3 GLN 51 2HG GLN 51 -7.523 10.149 4.554 344 HE21 GLN 51 1HE2 GLN 51 -6.984 13.487 4.065 345 HE22 GLN 51 2HE2 GLN 51 -8.055 14.074 5.287 346 H HIS 52 H HIS 52 -2.658 9.811 5.550 347 HA HIS 52 HA HIS 52 -1.711 11.437 7.814 348 HB2 HIS 52 1HB HIS 52 -1.241 8.479 7.478 349 HB3 HIS 52 2HB HIS 52 -1.109 9.445 8.945 350 HD2 HIS 52 2HD HIS 52 -3.961 7.992 6.648 351 HE1 HIS 52 1HE HIS 52 -5.555 8.877 10.479 352 HE2 HIS 52 2HE HIS 52 -5.984 7.792 8.246 353 H ASP 53 H ASP 53 -0.801 9.833 4.879 354 HA ASP 53 HA ASP 53 1.127 9.778 3.674 355 HB2 ASP 53 1HB ASP 53 1.532 12.246 5.343 356 HB3 ASP 53 2HB ASP 53 2.779 11.696 4.228 357 H SER 54 H SER 54 0.910 8.327 6.261 358 HA SER 54 HA SER 54 3.757 7.718 6.542 359 HB2 SER 54 1HB SER 54 1.950 8.077 8.942 360 HB3 SER 54 2HB SER 54 3.678 7.724 8.955 361 HG SER 54 HG SER 54 3.651 9.844 7.613 362 H CYS 55 H CYS 55 3.826 5.748 8.268 363 HA CYS 55 HA CYS 55 2.298 3.659 6.973 364 HB2 CYS 55 1HB CYS 55 4.683 3.318 7.446 365 HB3 CYS 55 2HB CYS 55 4.374 3.508 9.169 366 HA PRO 56 HA PRO 56 -0.897 3.725 10.057 367 HB2 PRO 56 1HB PRO 56 -2.206 1.514 9.181 368 HB3 PRO 56 2HB PRO 56 -2.316 3.080 8.369 369 HG2 PRO 56 1HG PRO 56 -0.629 0.704 7.682 370 HG3 PRO 56 2HG PRO 56 -1.563 1.762 6.608 371 HD2 PRO 56 1HD PRO 56 1.115 2.007 6.927 372 HD3 PRO 56 2HD PRO 56 0.061 3.398 6.601 373 H VAL 57 H VAL 57 1.710 1.736 9.921 374 HA VAL 57 HA VAL 57 0.758 0.050 12.144 375 HB VAL 57 HB VAL 57 2.992 -0.486 10.182 376 HG11 VAL 57 1HG1 VAL 57 2.009 -2.388 12.285 377 HG12 VAL 57 2HG1 VAL 57 3.495 -2.459 11.335 378 HG13 VAL 57 3HG1 VAL 57 3.316 -1.248 12.606 379 HG21 VAL 57 3HG2 VAL 57 0.865 -2.456 10.433 380 HG22 VAL 57 1HG2 VAL 57 0.282 -0.884 9.886 381 HG23 VAL 57 2HG2 VAL 57 1.554 -1.714 8.990 382 H CYS 58 H CYS 58 3.810 1.428 10.904 383 HA CYS 58 HA CYS 58 4.629 1.891 13.693 384 HB2 CYS 58 1HB CYS 58 6.931 1.881 12.884 385 HB3 CYS 58 2HB CYS 58 6.109 0.401 12.399 386 H ARG 59 H ARG 59 3.593 3.438 10.885 387 HA ARG 59 HA ARG 59 3.488 5.609 10.210 388 HB2 ARG 59 1HB ARG 59 4.016 6.221 13.123 389 HB3 ARG 59 2HB ARG 59 3.263 7.287 11.944 390 HG2 ARG 59 1HG ARG 59 2.034 4.632 12.521 391 HG3 ARG 59 2HG ARG 59 1.804 5.971 13.647 392 HD2 ARG 59 1HD ARG 59 1.313 6.361 10.723 393 HD3 ARG 59 2HD ARG 59 0.090 5.587 11.729 394 HE ARG 59 HE ARG 59 0.660 8.352 11.604 395 HH11 ARG 59 1HH1 ARG 59 -0.171 5.833 13.860 396 HH12 ARG 59 2HH1 ARG 59 -0.952 6.908 14.972 397 HH21 ARG 59 1HH2 ARG 59 -0.365 9.776 13.061 398 HH22 ARG 59 2HH2 ARG 59 -1.062 9.150 14.517 399 H LYS 60 H LYS 60 5.893 4.525 9.648 400 HA LYS 60 HA LYS 60 8.061 6.114 10.663 401 HB2 LYS 60 1HB LYS 60 8.216 3.716 9.818 402 HB3 LYS 60 2HB LYS 60 8.102 4.382 8.194 403 HG2 LYS 60 1HG LYS 60 10.361 4.256 8.403 404 HG3 LYS 60 2HG LYS 60 10.100 5.880 9.043 405 HD2 LYS 60 1HD LYS 60 9.824 4.507 11.309 406 HD3 LYS 60 2HD LYS 60 10.870 3.379 10.443 407 HE2 LYS 60 1HE LYS 60 12.306 5.473 9.945 408 HE3 LYS 60 2HE LYS 60 11.410 6.206 11.274 409 HZ1 LYS 60 3HZ LYS 60 13.586 5.090 11.848 410 HZ2 LYS 60 1HZ LYS 60 12.809 3.614 11.562 411 HZ3 LYS 60 2HZ LYS 60 12.249 4.642 12.782 412 H SER 61 H SER 61 8.168 8.203 10.144 413 HA SER 61 HA SER 61 6.980 9.682 8.280 414 HB2 SER 61 1HB SER 61 8.460 10.796 9.759 415 HB3 SER 61 2HB SER 61 9.847 9.859 9.203 416 HG SER 61 HG SER 61 8.508 11.984 7.934 417 H LEU 62 H LEU 62 6.637 9.414 6.184 418 HA LEU 62 HA LEU 62 8.576 7.966 4.560 419 HB2 LEU 62 1HB LEU 62 5.894 9.034 3.714 420 HB3 LEU 62 2HB LEU 62 6.865 7.803 2.909 421 HG LEU 62 HG LEU 62 5.607 7.438 5.624 422 HD11 LEU 62 1HD1 LEU 62 3.916 7.787 3.847 423 HD12 LEU 62 2HD1 LEU 62 3.875 6.170 4.547 424 HD13 LEU 62 3HD1 LEU 62 4.612 6.427 2.965 425 HD21 LEU 62 3HD2 LEU 62 6.050 5.020 4.232 426 HD22 LEU 62 1HD2 LEU 62 6.835 5.594 5.704 427 HD23 LEU 62 2HD2 LEU 62 7.537 5.965 4.128 428 H THR 63 H THR 63 9.435 10.489 5.411 429 HA THR 63 HA THR 63 10.137 11.664 2.909 430 HB THR 63 HB THR 63 7.883 12.654 3.197 431 HG1 THR 63 1HG THR 63 9.400 13.898 2.099 432 HG21 THR 63 3HG2 THR 63 8.877 13.099 5.878 433 HG22 THR 63 1HG2 THR 63 7.228 13.199 5.262 434 HG23 THR 63 2HG2 THR 63 8.297 14.597 5.151 435 H GLY 64 H GLY 64 11.533 13.628 3.222 436 HA2 GLY 64 1HA GLY 64 12.722 14.968 4.951 437 HA3 GLY 64 2HA GLY 64 12.927 13.456 5.824 438 H GLN 65 H GLN 65 13.643 11.774 3.716 439 HA GLN 65 HA GLN 65 16.406 12.316 3.520 440 HB2 GLN 65 1HB GLN 65 14.635 10.320 2.113 441 HB3 GLN 65 2HB GLN 65 16.377 10.380 1.881 442 HG2 GLN 65 1HG GLN 65 16.226 8.782 3.496 443 HG3 GLN 65 2HG GLN 65 16.423 10.223 4.492 444 HE21 GLN 65 1HE2 GLN 65 14.866 10.758 5.902 445 HE22 GLN 65 2HE2 GLN 65 13.372 9.911 6.088 446 H ASN 66 H ASN 66 17.565 12.241 1.339 447 HA ASN 66 HA ASN 66 17.226 14.563 -0.046 448 HB2 ASN 66 1HB ASN 66 19.181 13.001 -0.220 449 HB3 ASN 66 2HB ASN 66 18.220 11.998 -1.302 450 HD21 ASN 66 1HD2 ASN 66 17.312 13.154 -3.219 451 HD22 ASN 66 2HD2 ASN 66 18.332 14.310 -3.999 452 H THR 67 H THR 67 15.812 11.411 -0.842 453 HA THR 67 HA THR 67 14.678 11.732 -3.245 454 HB THR 67 HB THR 67 14.279 9.761 -1.818 455 HG1 THR 67 1HG THR 67 12.929 10.097 -3.640 456 HG21 THR 67 3HG2 THR 67 13.022 9.765 0.072 457 HG22 THR 67 1HG2 THR 67 11.920 11.000 -0.533 458 HG23 THR 67 2HG2 THR 67 13.496 11.463 0.110 459 H ALA 68 H ALA 68 12.982 12.785 -4.206 460 HA ALA 68 HA ALA 68 12.208 15.287 -3.147 461 HB1 ALA 68 3HB ALA 68 12.004 13.934 -5.627 462 HB2 ALA 68 1HB ALA 68 10.393 14.500 -5.187 463 HB3 ALA 68 2HB ALA 68 11.734 15.642 -5.283 464 H THR 69 H THR 69 10.045 16.022 -2.668 465 HA THR 69 HA THR 69 8.631 14.137 -0.992 466 HB THR 69 HB THR 69 7.152 16.134 -0.500 467 HG1 THR 69 1HG THR 69 8.167 17.119 -2.628 468 HG21 THR 69 3HG2 THR 69 8.845 17.264 0.868 469 HG22 THR 69 1HG2 THR 69 10.121 16.455 -0.040 470 HG23 THR 69 2HG2 THR 69 9.015 15.511 0.957 471 H ASN 70 H ASN 70 6.485 13.498 -1.219 472 HA ASN 70 HA ASN 70 5.399 13.801 -3.938 473 HB2 ASN 70 1HB ASN 70 5.841 11.503 -3.547 474 HB3 ASN 70 2HB ASN 70 5.165 11.571 -1.922 475 HD21 ASN 70 1HD2 ASN 70 4.438 11.519 -5.330 476 HD22 ASN 70 2HD2 ASN 70 2.777 11.071 -5.169 477 HA PRO 71 HA PRO 71 2.037 16.087 -2.219 478 HB2 PRO 71 1HB PRO 71 0.322 15.865 -4.313 479 HB3 PRO 71 2HB PRO 71 1.736 16.926 -4.337 480 HG2 PRO 71 1HG PRO 71 1.397 14.194 -5.513 481 HG3 PRO 71 2HG PRO 71 2.172 15.626 -6.215 482 HD2 PRO 71 1HD PRO 71 3.586 13.608 -5.092 483 HD3 PRO 71 2HD PRO 71 4.129 15.298 -5.043 484 HA PRO 72 HA PRO 72 -0.639 13.061 -0.435 485 HB2 PRO 72 1HB PRO 72 -2.610 14.716 0.430 486 HB3 PRO 72 2HB PRO 72 -1.032 14.607 1.219 487 HG2 PRO 72 1HG PRO 72 -2.036 16.639 -0.737 488 HG3 PRO 72 2HG PRO 72 -1.092 16.883 0.744 489 HD2 PRO 72 1HD PRO 72 0.032 16.895 -1.720 490 HD3 PRO 72 2HD PRO 72 0.894 16.316 -0.279 491 H GLY 73 H GLY 73 -1.216 14.615 -3.288 492 HA2 GLY 73 1HA GLY 73 -2.680 13.104 -4.736 493 HA3 GLY 73 2HA GLY 73 -3.931 13.497 -3.566 494 H LEU 74 H LEU 74 -4.992 14.202 -5.629 495 HA LEU 74 HA LEU 74 -4.193 16.955 -6.308 496 HB2 LEU 74 1HB LEU 74 -4.960 16.663 -8.485 497 HB3 LEU 74 2HB LEU 74 -4.124 15.156 -8.115 498 HG LEU 74 HG LEU 74 -7.080 15.307 -7.728 499 HD11 LEU 74 1HD1 LEU 74 -5.801 15.861 -10.207 500 HD12 LEU 74 2HD1 LEU 74 -7.521 15.679 -9.866 501 HD13 LEU 74 3HD1 LEU 74 -6.556 14.270 -10.306 502 HD21 LEU 74 3HD2 LEU 74 -5.261 13.354 -7.305 503 HD22 LEU 74 1HD2 LEU 74 -5.749 12.991 -8.961 504 HD23 LEU 74 2HD2 LEU 74 -6.960 13.060 -7.680 505 H THR 75 H THR 75 -5.785 18.542 -6.454 506 HA THR 75 HA THR 75 -7.633 19.661 -5.726 507 HB THR 75 HB THR 75 -9.108 17.124 -6.447 508 HG1 THR 75 1HG THR 75 -7.581 18.313 -8.052 509 HG21 THR 75 3HG2 THR 75 -9.969 19.639 -5.458 510 HG22 THR 75 1HG2 THR 75 -10.957 18.283 -6.002 511 HG23 THR 75 2HG2 THR 75 -10.464 19.532 -7.147 512 H GLY 76 H GLY 76 -6.176 18.291 -3.698 513 HA2 GLY 76 1HA GLY 76 -6.385 17.411 -1.566 514 HA3 GLY 76 2HA GLY 76 -7.635 18.641 -1.456 515 H VAL 77 H VAL 77 -6.986 15.253 -2.081 516 HA VAL 77 HA VAL 77 -9.844 14.638 -2.042 517 HB VAL 77 HB VAL 77 -8.331 13.568 -3.734 518 HG11 VAL 77 1HG1 VAL 77 -7.317 11.998 -1.368 519 HG12 VAL 77 2HG1 VAL 77 -6.862 11.780 -3.059 520 HG13 VAL 77 3HG1 VAL 77 -6.408 13.255 -2.206 521 HG21 VAL 77 3HG2 VAL 77 -10.446 12.482 -2.258 522 HG22 VAL 77 1HG2 VAL 77 -9.881 11.979 -3.852 523 HG23 VAL 77 2HG2 VAL 77 -9.255 11.189 -2.404 524 H GLY 78 H GLY 78 -10.829 13.413 -0.470 525 HA2 GLY 78 1HA GLY 78 -9.191 12.857 1.928 526 HA3 GLY 78 2HA GLY 78 -10.840 13.460 2.012 Start of MODEL 4 1 H1 GLY 1 H GLY 1 28.160 -35.254 -5.016 2 HA2 GLY 1 1HA GLY 1 25.818 -35.275 -3.212 3 HA3 GLY 1 2HA GLY 1 27.462 -35.037 -2.640 4 H SER 2 H SER 2 25.018 -33.336 -2.467 5 HA SER 2 HA SER 2 26.158 -30.915 -3.702 6 HB2 SER 2 1HB SER 2 23.239 -31.614 -3.311 7 HB3 SER 2 2HB SER 2 23.825 -30.039 -3.845 8 HG SER 2 HG SER 2 23.607 -30.953 -5.743 9 H SER 3 H SER 3 26.236 -29.068 -2.472 10 HA SER 3 HA SER 3 25.310 -29.285 0.314 11 HB2 SER 3 1HB SER 3 27.761 -29.676 0.180 12 HB3 SER 3 2HB SER 3 27.949 -28.090 -0.567 13 HG SER 3 HG SER 3 27.294 -28.756 2.072 14 H GLY 4 H GLY 4 23.720 -27.838 0.479 15 HA2 GLY 4 1HA GLY 4 23.385 -25.423 0.891 16 HA3 GLY 4 2HA GLY 4 24.200 -25.145 -0.640 17 H SER 5 H SER 5 21.722 -27.557 0.118 18 HA SER 5 HA SER 5 20.119 -26.497 -2.088 19 HB2 SER 5 1HB SER 5 18.843 -28.654 -1.821 20 HB3 SER 5 2HB SER 5 20.541 -28.857 -2.249 21 HG SER 5 HG SER 5 20.305 -30.224 -0.597 22 H SER 6 H SER 6 18.502 -25.168 -1.656 23 HA SER 6 HA SER 6 16.565 -25.691 0.355 24 HB2 SER 6 1HB SER 6 18.364 -24.786 1.795 25 HB3 SER 6 2HB SER 6 18.367 -23.306 0.837 26 HG SER 6 HG SER 6 16.157 -24.324 2.300 27 H GLY 7 H GLY 7 14.787 -24.194 0.299 28 HA2 GLY 7 1HA GLY 7 14.823 -22.446 -2.085 29 HA3 GLY 7 2HA GLY 7 13.454 -23.478 -1.699 30 H THR 8 H THR 8 13.279 -20.692 -2.075 31 HA THR 8 HA THR 8 12.435 -19.870 0.622 32 HB THR 8 HB THR 8 13.669 -18.020 -1.428 33 HG1 THR 8 1HG THR 8 14.749 -18.926 1.051 34 HG21 THR 8 3HG2 THR 8 11.934 -17.070 0.139 35 HG22 THR 8 1HG2 THR 8 13.526 -16.318 0.231 36 HG23 THR 8 2HG2 THR 8 13.023 -17.473 1.466 37 H GLU 9 H GLU 9 10.290 -19.763 0.601 38 HA GLU 9 HA GLU 9 8.750 -19.485 -1.767 39 HB2 GLU 9 1HB GLU 9 8.077 -19.424 1.164 40 HB3 GLU 9 2HB GLU 9 6.853 -19.125 -0.062 41 HG2 GLU 9 1HG GLU 9 6.647 -21.390 0.439 42 HG3 GLU 9 2HG GLU 9 7.552 -21.351 -1.074 43 H GLU 10 H GLU 10 8.568 -17.672 -2.896 44 HA GLU 10 HA GLU 10 8.792 -15.092 -1.540 45 HB2 GLU 10 1HB GLU 10 8.756 -15.767 -4.487 46 HB3 GLU 10 2HB GLU 10 8.986 -14.157 -3.818 47 HG2 GLU 10 1HG GLU 10 10.815 -16.367 -3.005 48 HG3 GLU 10 2HG GLU 10 11.032 -15.575 -4.565 49 H HIS 11 H HIS 11 7.194 -13.562 -1.529 50 HA HIS 11 HA HIS 11 4.970 -13.009 -1.210 51 HB2 HIS 11 1HB HIS 11 5.822 -12.388 -3.635 52 HB3 HIS 11 2HB HIS 11 4.609 -13.568 -4.123 53 HD2 HIS 11 2HD HIS 11 2.660 -12.313 -1.458 54 HE1 HIS 11 1HE HIS 11 2.343 -9.147 -4.264 55 HE2 HIS 11 2HE HIS 11 1.435 -10.138 -2.133 56 H VAL 12 H VAL 12 5.397 -15.788 -0.698 57 HA VAL 12 HA VAL 12 3.342 -17.317 -1.987 58 HB VAL 12 HB VAL 12 5.347 -18.409 -1.099 59 HG11 VAL 12 1HG1 VAL 12 6.075 -17.439 0.816 60 HG12 VAL 12 2HG1 VAL 12 4.442 -17.118 1.405 61 HG13 VAL 12 3HG1 VAL 12 5.129 -18.737 1.545 62 HG21 VAL 12 3HG2 VAL 12 2.720 -19.281 -0.866 63 HG22 VAL 12 1HG2 VAL 12 4.172 -20.281 -0.821 64 HG23 VAL 12 2HG2 VAL 12 3.459 -19.693 0.681 65 H GLY 13 H GLY 13 3.424 -15.096 0.603 66 HA2 GLY 13 1HA GLY 13 1.403 -14.218 1.521 67 HA3 GLY 13 2HA GLY 13 0.640 -15.778 1.249 68 H SER 14 H SER 14 3.696 -14.950 2.860 69 HA SER 14 HA SER 14 2.898 -16.595 5.126 70 HB2 SER 14 1HB SER 14 5.510 -15.287 4.358 71 HB3 SER 14 2HB SER 14 5.276 -16.135 5.886 72 HG SER 14 HG SER 14 4.756 -18.006 4.671 73 H GLY 15 H GLY 15 1.499 -15.493 6.403 74 HA2 GLY 15 1HA GLY 15 0.613 -13.709 7.607 75 HA3 GLY 15 2HA GLY 15 2.186 -13.834 8.380 76 H LEU 16 H LEU 16 1.105 -12.611 5.212 77 HA LEU 16 HA LEU 16 2.481 -10.083 5.846 78 HB2 LEU 16 1HB LEU 16 2.559 -9.911 3.261 79 HB3 LEU 16 2HB LEU 16 3.730 -10.919 4.109 80 HG LEU 16 HG LEU 16 2.575 -12.916 3.465 81 HD11 LEU 16 1HD1 LEU 16 0.330 -12.660 3.465 82 HD12 LEU 16 2HD1 LEU 16 0.594 -12.404 1.740 83 HD13 LEU 16 3HD1 LEU 16 0.404 -11.021 2.817 84 HD21 LEU 16 3HD2 LEU 16 2.337 -11.880 0.827 85 HD22 LEU 16 1HD2 LEU 16 3.642 -12.839 1.524 86 HD23 LEU 16 2HD2 LEU 16 3.692 -11.079 1.622 87 H GLU 17 H GLU 17 -0.487 -11.445 5.495 88 HA GLU 17 HA GLU 17 -2.080 -10.023 3.872 89 HB2 GLU 17 1HB GLU 17 -3.855 -10.139 5.587 90 HB3 GLU 17 2HB GLU 17 -2.977 -11.653 5.424 91 HG2 GLU 17 1HG GLU 17 -1.562 -10.794 7.394 92 HG3 GLU 17 2HG GLU 17 -2.883 -9.654 7.645 93 H CYS 18 H CYS 18 -2.970 -8.008 3.702 94 HA CYS 18 HA CYS 18 -1.533 -5.800 4.585 95 HB2 CYS 18 1HB CYS 18 -2.873 -5.371 2.737 96 HB3 CYS 18 2HB CYS 18 -4.278 -6.163 3.444 97 HA PRO 19 HA PRO 19 -2.811 -5.505 8.821 98 HB2 PRO 19 1HB PRO 19 -1.665 -3.097 9.328 99 HB3 PRO 19 2HB PRO 19 -0.737 -4.598 9.214 100 HG2 PRO 19 1HG PRO 19 -1.140 -2.458 7.159 101 HG3 PRO 19 2HG PRO 19 0.343 -3.328 7.592 102 HD2 PRO 19 1HD PRO 19 -1.135 -3.962 5.414 103 HD3 PRO 19 2HD PRO 19 -0.225 -5.175 6.336 104 H VAL 20 H VAL 20 -3.345 -2.946 6.456 105 HA VAL 20 HA VAL 20 -4.983 -1.232 7.871 106 HB VAL 20 HB VAL 20 -5.543 -1.964 5.006 107 HG11 VAL 20 1HG1 VAL 20 -6.126 0.308 6.801 108 HG12 VAL 20 2HG1 VAL 20 -5.691 0.710 5.139 109 HG13 VAL 20 3HG1 VAL 20 -7.063 -0.351 5.461 110 HG21 VAL 20 3HG2 VAL 20 -3.480 -1.399 4.410 111 HG22 VAL 20 1HG2 VAL 20 -3.727 0.197 5.119 112 HG23 VAL 20 2HG2 VAL 20 -3.049 -1.107 6.095 113 H CYS 21 H CYS 21 -5.958 -4.089 5.983 114 HA CYS 21 HA CYS 21 -8.577 -3.991 7.321 115 HB2 CYS 21 1HB CYS 21 -9.267 -5.563 5.444 116 HB3 CYS 21 2HB CYS 21 -8.901 -3.907 4.973 117 H LYS 22 H LYS 22 -5.671 -5.781 6.997 118 HA LYS 22 HA LYS 22 -4.901 -7.666 8.013 119 HB2 LYS 22 1HB LYS 22 -7.450 -7.576 9.634 120 HB3 LYS 22 2HB LYS 22 -5.968 -8.429 10.045 121 HG2 LYS 22 1HG LYS 22 -5.819 -5.494 9.625 122 HG3 LYS 22 2HG LYS 22 -6.569 -6.093 11.106 123 HD2 LYS 22 1HD LYS 22 -4.569 -7.335 11.661 124 HD3 LYS 22 2HD LYS 22 -3.822 -6.875 10.129 125 HE2 LYS 22 1HE LYS 22 -3.449 -4.710 10.807 126 HE3 LYS 22 2HE LYS 22 -4.775 -4.733 11.969 127 HZ1 LYS 22 3HZ LYS 22 -2.733 -6.617 12.629 128 HZ2 LYS 22 1HZ LYS 22 -3.415 -5.393 13.577 129 HZ3 LYS 22 2HZ LYS 22 -2.125 -5.040 12.542 130 H GLU 23 H GLU 23 -6.303 -7.932 5.600 131 HA GLU 23 HA GLU 23 -7.856 -10.399 5.948 132 HB2 GLU 23 1HB GLU 23 -7.620 -8.500 3.611 133 HB3 GLU 23 2HB GLU 23 -8.498 -10.022 3.547 134 HG2 GLU 23 1HG GLU 23 -9.186 -8.117 5.712 135 HG3 GLU 23 2HG GLU 23 -9.695 -7.728 4.070 136 H ASP 24 H ASP 24 -6.035 -9.397 3.103 137 HA ASP 24 HA ASP 24 -3.769 -10.971 3.393 138 HB2 ASP 24 1HB ASP 24 -4.489 -12.849 1.763 139 HB3 ASP 24 2HB ASP 24 -4.967 -12.978 3.454 140 H TYR 25 H TYR 25 -2.765 -11.519 1.185 141 HA TYR 25 HA TYR 25 -3.318 -9.257 -0.600 142 HB2 TYR 25 1HB TYR 25 -0.867 -10.954 -0.153 143 HB3 TYR 25 2HB TYR 25 -1.018 -9.875 -1.535 144 HD1 TYR 25 1HD TYR 25 -2.366 -7.550 -0.306 145 HD2 TYR 25 2HD TYR 25 0.802 -9.984 1.156 146 HE1 TYR 25 1HE TYR 25 -1.566 -5.673 1.067 147 HE2 TYR 25 2HE TYR 25 1.610 -8.114 2.535 148 HH TYR 25 HH TYR 25 0.449 -5.964 3.583 149 H ALA 26 H ALA 26 -2.295 -9.986 -2.945 150 HA ALA 26 HA ALA 26 -3.020 -12.593 -3.820 151 HB1 ALA 26 3HB ALA 26 -4.995 -12.168 -5.041 152 HB2 ALA 26 1HB ALA 26 -5.265 -11.491 -3.434 153 HB3 ALA 26 2HB ALA 26 -4.870 -10.427 -4.785 154 H LEU 27 H LEU 27 -1.931 -13.038 -5.636 155 HA LEU 27 HA LEU 27 0.024 -11.573 -6.736 156 HB2 LEU 27 1HB LEU 27 -1.810 -13.232 -8.450 157 HB3 LEU 27 2HB LEU 27 -0.098 -12.907 -8.709 158 HG LEU 27 HG LEU 27 0.026 -14.153 -6.327 159 HD11 LEU 27 1HD1 LEU 27 -2.560 -14.889 -7.546 160 HD12 LEU 27 2HD1 LEU 27 -2.053 -14.899 -5.857 161 HD13 LEU 27 3HD1 LEU 27 -1.573 -16.215 -6.929 162 HD21 LEU 27 3HD2 LEU 27 -0.190 -15.822 -8.798 163 HD22 LEU 27 1HD2 LEU 27 0.972 -15.920 -7.475 164 HD23 LEU 27 2HD2 LEU 27 1.087 -14.614 -8.654 165 H GLY 28 H GLY 28 -3.352 -11.497 -7.863 166 HA2 GLY 28 1HA GLY 28 -2.843 -9.443 -9.798 167 HA3 GLY 28 2HA GLY 28 -4.419 -10.039 -9.300 168 H GLU 29 H GLU 29 -3.774 -9.488 -6.442 169 HA GLU 29 HA GLU 29 -4.879 -6.890 -6.306 170 HB2 GLU 29 1HB GLU 29 -3.777 -8.826 -4.311 171 HB3 GLU 29 2HB GLU 29 -4.086 -7.169 -3.810 172 HG2 GLU 29 1HG GLU 29 -6.400 -7.361 -4.326 173 HG3 GLU 29 2HG GLU 29 -6.154 -8.919 -5.111 174 H SER 30 H SER 30 -3.890 -5.021 -6.623 175 HA SER 30 HA SER 30 -1.081 -4.772 -6.870 176 HB2 SER 30 1HB SER 30 -2.657 -3.315 -8.081 177 HB3 SER 30 2HB SER 30 -3.168 -2.601 -6.553 178 HG SER 30 HG SER 30 -1.635 -1.246 -7.316 179 H VAL 31 H VAL 31 0.161 -5.125 -5.125 180 HA VAL 31 HA VAL 31 -0.596 -3.926 -2.561 181 HB VAL 31 HB VAL 31 1.597 -5.288 -1.903 182 HG11 VAL 31 1HG1 VAL 31 -0.663 -5.591 -0.985 183 HG12 VAL 31 2HG1 VAL 31 -1.080 -6.596 -2.375 184 HG13 VAL 31 3HG1 VAL 31 0.162 -7.128 -1.241 185 HG21 VAL 31 3HG2 VAL 31 1.906 -7.275 -3.180 186 HG22 VAL 31 1HG2 VAL 31 0.512 -6.910 -4.197 187 HG23 VAL 31 2HG2 VAL 31 1.967 -5.919 -4.306 188 H ARG 32 H ARG 32 0.837 -2.619 -1.378 189 HA ARG 32 HA ARG 32 3.036 -1.448 -2.953 190 HB2 ARG 32 1HB ARG 32 1.617 0.344 -2.956 191 HB3 ARG 32 2HB ARG 32 0.808 -0.157 -1.476 192 HG2 ARG 32 1HG ARG 32 2.262 0.954 -0.138 193 HG3 ARG 32 2HG ARG 32 3.622 0.724 -1.238 194 HD2 ARG 32 1HD ARG 32 2.632 2.396 -2.760 195 HD3 ARG 32 2HD ARG 32 1.333 2.655 -1.596 196 HE ARG 32 HE ARG 32 3.500 3.140 -0.106 197 HH11 ARG 32 1HH1 ARG 32 2.592 4.237 -3.283 198 HH12 ARG 32 2HH1 ARG 32 3.429 5.748 -3.143 199 HH21 ARG 32 1HH2 ARG 32 4.606 5.126 0.090 200 HH22 ARG 32 2HH2 ARG 32 4.575 6.252 -1.225 201 H GLN 33 H GLN 33 4.963 -1.208 -1.953 202 HA GLN 33 HA GLN 33 5.148 -2.185 0.807 203 HB2 GLN 33 1HB GLN 33 6.463 -3.322 -1.009 204 HB3 GLN 33 2HB GLN 33 7.387 -1.836 -1.189 205 HG2 GLN 33 1HG GLN 33 8.555 -2.164 0.714 206 HG3 GLN 33 2HG GLN 33 7.211 -2.954 1.535 207 HE21 GLN 33 1HE2 GLN 33 8.703 -4.530 2.275 208 HE22 GLN 33 2HE2 GLN 33 9.225 -5.808 1.236 209 H LEU 34 H LEU 34 6.098 -1.005 2.416 210 HA LEU 34 HA LEU 34 6.516 1.834 1.831 211 HB2 LEU 34 1HB LEU 34 5.861 0.292 4.311 212 HB3 LEU 34 2HB LEU 34 6.527 1.920 4.421 213 HG LEU 34 HG LEU 34 3.882 1.065 3.269 214 HD11 LEU 34 1HD1 LEU 34 2.926 2.342 4.966 215 HD12 LEU 34 2HD1 LEU 34 4.425 3.214 5.286 216 HD13 LEU 34 3HD1 LEU 34 4.270 1.524 5.764 217 HD21 LEU 34 3HD2 LEU 34 3.880 3.766 3.050 218 HD22 LEU 34 1HD2 LEU 34 4.220 2.659 1.720 219 HD23 LEU 34 2HD2 LEU 34 5.549 3.396 2.615 220 HA PRO 35 HA PRO 35 10.846 1.777 2.539 221 HB2 PRO 35 1HB PRO 35 11.242 4.059 3.954 222 HB3 PRO 35 2HB PRO 35 10.833 4.054 2.235 223 HG2 PRO 35 1HG PRO 35 9.056 4.492 4.604 224 HG3 PRO 35 2HG PRO 35 9.098 5.365 3.061 225 HD2 PRO 35 1HD PRO 35 7.260 3.452 3.603 226 HD3 PRO 35 2HD PRO 35 7.882 3.742 1.966 227 H CYS 36 H CYS 36 8.744 1.064 4.929 228 HA CYS 36 HA CYS 36 10.851 0.827 6.975 229 HB2 CYS 36 1HB CYS 36 8.888 0.600 8.580 230 HB3 CYS 36 2HB CYS 36 9.131 2.192 7.868 231 H ASN 37 H ASN 37 9.782 -0.954 4.646 232 HA ASN 37 HA ASN 37 9.813 -3.204 4.258 233 HB2 ASN 37 1HB ASN 37 10.082 -3.900 7.144 234 HB3 ASN 37 2HB ASN 37 10.871 -4.611 5.739 235 HD21 ASN 37 1HD2 ASN 37 11.232 -2.586 8.366 236 HD22 ASN 37 2HD2 ASN 37 12.727 -1.843 7.923 237 H HIS 38 H HIS 38 7.423 -1.679 4.939 238 HA HIS 38 HA HIS 38 5.729 -3.900 5.878 239 HB2 HIS 38 1HB HIS 38 5.512 -0.951 6.460 240 HB3 HIS 38 2HB HIS 38 4.141 -2.040 6.645 241 HD2 HIS 38 2HD HIS 38 5.526 -4.495 8.221 242 HE1 HIS 38 1HE HIS 38 6.874 -1.535 10.945 243 HE2 HIS 38 2HE HIS 38 6.544 -4.000 10.547 244 H LEU 39 H LEU 39 4.262 -4.575 4.461 245 HA LEU 39 HA LEU 39 3.797 -2.973 2.057 246 HB2 LEU 39 1HB LEU 39 3.502 -5.866 2.741 247 HB3 LEU 39 2HB LEU 39 2.597 -5.192 1.387 248 HG LEU 39 HG LEU 39 5.543 -4.760 1.486 249 HD11 LEU 39 1HD1 LEU 39 4.444 -7.331 1.693 250 HD12 LEU 39 2HD1 LEU 39 6.106 -6.895 1.294 251 HD13 LEU 39 3HD1 LEU 39 4.924 -7.135 0.007 252 HD21 LEU 39 3HD2 LEU 39 3.471 -5.137 -0.665 253 HD22 LEU 39 1HD2 LEU 39 5.203 -5.065 -0.986 254 HD23 LEU 39 2HD2 LEU 39 4.379 -3.675 -0.277 255 H PHE 40 H PHE 40 1.624 -2.808 1.180 256 HA PHE 40 HA PHE 40 -0.627 -3.341 2.886 257 HB2 PHE 40 1HB PHE 40 0.016 -0.451 2.281 258 HB3 PHE 40 2HB PHE 40 -1.327 -1.062 3.241 259 HD1 PHE 40 2HD PHE 40 2.378 -0.876 3.138 260 HD2 PHE 40 1HD PHE 40 -1.106 -1.341 5.539 261 HE1 PHE 40 2HE PHE 40 3.757 -0.700 5.168 262 HE2 PHE 40 1HE PHE 40 0.268 -1.164 7.573 263 HZ PHE 40 HZ PHE 40 2.703 -0.845 7.389 264 H HIS 41 H HIS 41 -2.592 -3.213 1.807 265 HA HIS 41 HA HIS 41 -2.612 -3.678 -0.921 266 HB2 HIS 41 1HB HIS 41 -4.769 -2.778 0.977 267 HB3 HIS 41 2HB HIS 41 -5.103 -3.052 -0.731 268 HD2 HIS 41 2HD HIS 41 -3.566 -5.870 -1.178 269 HE1 HIS 41 1HE HIS 41 -5.858 -7.231 2.121 270 HE2 HIS 41 2HE HIS 41 -4.401 -7.905 0.181 271 H ASP 42 H ASP 42 -2.721 -2.451 -2.715 272 HA ASP 42 HA ASP 42 -1.968 0.248 -2.644 273 HB2 ASP 42 1HB ASP 42 -1.524 -1.121 -4.594 274 HB3 ASP 42 2HB ASP 42 -3.249 -1.357 -4.864 275 H SER 43 H SER 43 -4.932 -1.123 -1.948 276 HA SER 43 HA SER 43 -6.391 1.331 -2.667 277 HB2 SER 43 1HB SER 43 -7.436 -0.580 -3.665 278 HB3 SER 43 2HB SER 43 -7.366 -1.484 -2.152 279 HG SER 43 HG SER 43 -9.386 -0.164 -2.948 280 H CYS 44 H CYS 44 -4.942 -0.222 -0.104 281 HA CYS 44 HA CYS 44 -6.792 0.932 1.868 282 HB2 CYS 44 1HB CYS 44 -4.653 -1.186 2.147 283 HB3 CYS 44 2HB CYS 44 -5.539 -0.505 3.507 284 H ILE 45 H ILE 45 -3.468 0.939 0.753 285 HA ILE 45 HA ILE 45 -2.612 2.758 2.843 286 HB ILE 45 HB ILE 45 -1.213 0.898 1.595 287 HG12 ILE 45 1HG1 ILE 45 0.819 2.050 2.266 288 HG13 ILE 45 2HG1 ILE 45 -0.016 3.600 2.246 289 HG21 ILE 45 1HG2 ILE 45 -1.513 1.824 -0.635 290 HG22 ILE 45 2HG2 ILE 45 -0.756 3.332 -0.124 291 HG23 ILE 45 3HG2 ILE 45 0.189 1.844 -0.177 292 HD11 ILE 45 3HD1 ILE 45 0.412 2.381 4.491 293 HD12 ILE 45 1HD1 ILE 45 -1.140 3.167 4.202 294 HD13 ILE 45 2HD1 ILE 45 -0.991 1.418 4.026 295 H VAL 46 H VAL 46 -3.126 2.842 -0.667 296 HA VAL 46 HA VAL 46 -2.269 5.320 -1.355 297 HB VAL 46 HB VAL 46 -4.559 3.667 -2.266 298 HG11 VAL 46 1HG1 VAL 46 -5.018 5.547 -3.981 299 HG12 VAL 46 2HG1 VAL 46 -5.750 5.657 -2.379 300 HG13 VAL 46 3HG1 VAL 46 -4.315 6.609 -2.762 301 HG21 VAL 46 3HG2 VAL 46 -2.017 3.772 -3.021 302 HG22 VAL 46 1HG2 VAL 46 -3.315 3.409 -4.158 303 HG23 VAL 46 2HG2 VAL 46 -2.645 5.038 -4.076 304 HA PRO 47 HA PRO 47 -6.363 7.399 0.154 305 HB2 PRO 47 1HB PRO 47 -8.026 5.901 1.689 306 HB3 PRO 47 2HB PRO 47 -8.139 5.960 -0.074 307 HG2 PRO 47 1HG PRO 47 -6.858 3.895 1.675 308 HG3 PRO 47 2HG PRO 47 -7.875 3.671 0.239 309 HD2 PRO 47 1HD PRO 47 -5.176 3.477 0.156 310 HD3 PRO 47 2HD PRO 47 -6.133 4.076 -1.214 311 H TRP 48 H TRP 48 -4.322 5.401 2.006 312 HA TRP 48 HA TRP 48 -4.960 6.656 4.546 313 HB2 TRP 48 1HB TRP 48 -4.389 4.310 4.609 314 HB3 TRP 48 2HB TRP 48 -2.874 4.612 3.762 315 HD1 TRP 48 HD TRP 48 -0.819 5.444 5.186 316 HE1 TRP 48 1HE TRP 48 -0.399 5.652 7.717 317 HE3 TRP 48 3HE TRP 48 -5.618 4.875 6.855 318 HZ2 TRP 48 2HZ TRP 48 -1.903 5.582 10.105 319 HZ3 TRP 48 3HZ TRP 48 -6.042 4.957 9.277 320 HH2 TRP 48 HH TRP 48 -4.221 5.303 10.867 321 H LEU 49 H LEU 49 -2.003 6.319 2.571 322 HA LEU 49 HA LEU 49 -0.445 8.168 3.928 323 HB2 LEU 49 1HB LEU 49 -0.330 7.775 0.952 324 HB3 LEU 49 2HB LEU 49 0.987 8.186 2.048 325 HG LEU 49 HG LEU 49 -0.421 5.521 1.899 326 HD11 LEU 49 1HD1 LEU 49 2.112 4.984 1.271 327 HD12 LEU 49 2HD1 LEU 49 2.018 6.628 0.640 328 HD13 LEU 49 3HD1 LEU 49 0.897 5.396 0.060 329 HD21 LEU 49 3HD2 LEU 49 0.579 6.420 4.140 330 HD22 LEU 49 1HD2 LEU 49 2.120 6.024 3.379 331 HD23 LEU 49 2HD2 LEU 49 0.907 4.766 3.619 332 H GLU 50 H GLU 50 -2.853 8.665 1.418 333 HA GLU 50 HA GLU 50 -2.250 11.397 0.931 334 HB2 GLU 50 1HB GLU 50 -4.658 9.676 0.384 335 HB3 GLU 50 2HB GLU 50 -4.652 11.394 0.009 336 HG2 GLU 50 1HG GLU 50 -4.008 9.624 -1.798 337 HG3 GLU 50 2HG GLU 50 -3.155 11.163 -1.697 338 H GLN 51 H GLN 51 -3.353 9.967 3.668 339 HA GLN 51 HA GLN 51 -4.815 12.388 4.495 340 HB2 GLN 51 1HB GLN 51 -5.378 9.504 4.980 341 HB3 GLN 51 2HB GLN 51 -5.752 10.642 6.268 342 HG2 GLN 51 1HG GLN 51 -6.929 11.939 4.293 343 HG3 GLN 51 2HG GLN 51 -6.992 10.322 3.593 344 HE21 GLN 51 1HE2 GLN 51 -9.271 11.744 4.244 345 HE22 GLN 51 2HE2 GLN 51 -10.074 10.957 5.555 346 H HIS 52 H HIS 52 -2.554 9.854 5.420 347 HA HIS 52 HA HIS 52 -1.733 11.508 7.717 348 HB2 HIS 52 1HB HIS 52 -1.230 8.546 7.458 349 HB3 HIS 52 2HB HIS 52 -1.113 9.547 8.902 350 HD2 HIS 52 2HD HIS 52 -3.984 8.149 6.574 351 HE1 HIS 52 1HE HIS 52 -5.535 8.898 10.451 352 HE2 HIS 52 2HE HIS 52 -5.996 7.907 8.182 353 H ASP 53 H ASP 53 -0.730 9.796 4.863 354 HA ASP 53 HA ASP 53 1.213 9.775 3.682 355 HB2 ASP 53 1HB ASP 53 0.921 12.320 4.314 356 HB3 ASP 53 2HB ASP 53 2.331 12.011 5.323 357 H SER 54 H SER 54 0.956 8.269 6.190 358 HA SER 54 HA SER 54 3.790 7.679 6.551 359 HB2 SER 54 1HB SER 54 2.003 7.971 8.966 360 HB3 SER 54 2HB SER 54 3.757 7.792 8.924 361 HG SER 54 HG SER 54 2.180 10.041 8.470 362 H CYS 55 H CYS 55 3.909 5.693 8.173 363 HA CYS 55 HA CYS 55 2.394 3.606 6.907 364 HB2 CYS 55 1HB CYS 55 4.763 3.300 7.527 365 HB3 CYS 55 2HB CYS 55 4.332 3.462 9.227 366 HA PRO 56 HA PRO 56 -0.959 3.703 9.816 367 HB2 PRO 56 1HB PRO 56 -2.209 1.469 8.913 368 HB3 PRO 56 2HB PRO 56 -2.283 3.020 8.067 369 HG2 PRO 56 1HG PRO 56 -0.551 0.642 7.514 370 HG3 PRO 56 2HG PRO 56 -1.431 1.674 6.373 371 HD2 PRO 56 1HD PRO 56 1.225 1.941 6.829 372 HD3 PRO 56 2HD PRO 56 0.183 3.319 6.422 373 H VAL 57 H VAL 57 1.662 1.733 9.861 374 HA VAL 57 HA VAL 57 0.610 0.121 12.095 375 HB VAL 57 HB VAL 57 2.872 -0.558 10.211 376 HG11 VAL 57 1HG1 VAL 57 2.972 -1.259 12.722 377 HG12 VAL 57 2HG1 VAL 57 1.757 -2.444 12.239 378 HG13 VAL 57 3HG1 VAL 57 3.341 -2.435 11.462 379 HG21 VAL 57 3HG2 VAL 57 0.580 -2.372 10.483 380 HG22 VAL 57 1HG2 VAL 57 0.209 -0.815 9.741 381 HG23 VAL 57 2HG2 VAL 57 1.453 -1.852 9.041 382 H CYS 58 H CYS 58 3.833 1.087 10.913 383 HA CYS 58 HA CYS 58 4.639 1.618 13.669 384 HB2 CYS 58 1HB CYS 58 6.893 1.549 12.889 385 HB3 CYS 58 2HB CYS 58 6.048 0.213 12.114 386 H ARG 59 H ARG 59 3.550 3.285 10.937 387 HA ARG 59 HA ARG 59 3.416 5.485 10.367 388 HB2 ARG 59 1HB ARG 59 3.738 5.694 13.359 389 HB3 ARG 59 2HB ARG 59 3.444 7.095 12.338 390 HG2 ARG 59 1HG ARG 59 1.330 6.538 13.087 391 HG3 ARG 59 2HG ARG 59 1.397 5.778 11.496 392 HD2 ARG 59 1HD ARG 59 0.512 4.101 12.831 393 HD3 ARG 59 2HD ARG 59 2.228 3.698 12.780 394 HE ARG 59 HE ARG 59 2.324 4.050 15.032 395 HH11 ARG 59 1HH1 ARG 59 -0.514 5.628 13.775 396 HH12 ARG 59 2HH1 ARG 59 -1.116 6.074 15.337 397 HH21 ARG 59 1HH2 ARG 59 1.541 4.633 17.093 398 HH22 ARG 59 2HH2 ARG 59 0.054 5.509 17.223 399 H LYS 60 H LYS 60 5.837 4.475 9.756 400 HA LYS 60 HA LYS 60 7.965 6.075 10.856 401 HB2 LYS 60 1HB LYS 60 7.732 3.912 8.824 402 HB3 LYS 60 2HB LYS 60 9.120 4.987 8.707 403 HG2 LYS 60 1HG LYS 60 8.504 3.817 11.361 404 HG3 LYS 60 2HG LYS 60 9.179 2.755 10.123 405 HD2 LYS 60 1HD LYS 60 11.183 3.858 10.075 406 HD3 LYS 60 2HD LYS 60 10.469 5.400 10.555 407 HE2 LYS 60 1HE LYS 60 10.222 4.607 12.832 408 HE3 LYS 60 2HE LYS 60 10.828 3.017 12.370 409 HZ1 LYS 60 3HZ LYS 60 12.299 5.553 12.632 410 HZ2 LYS 60 1HZ LYS 60 12.886 4.343 11.605 411 HZ3 LYS 60 2HZ LYS 60 12.681 4.028 13.254 412 H SER 61 H SER 61 8.373 8.096 10.281 413 HA SER 61 HA SER 61 7.078 9.652 8.491 414 HB2 SER 61 1HB SER 61 8.795 10.443 10.123 415 HB3 SER 61 2HB SER 61 10.050 9.869 9.025 416 HG SER 61 HG SER 61 8.175 11.947 8.620 417 H LEU 62 H LEU 62 6.704 9.444 6.394 418 HA LEU 62 HA LEU 62 8.596 7.987 4.717 419 HB2 LEU 62 1HB LEU 62 5.901 9.079 3.942 420 HB3 LEU 62 2HB LEU 62 6.851 7.859 3.096 421 HG LEU 62 HG LEU 62 5.636 7.458 5.826 422 HD11 LEU 62 1HD1 LEU 62 3.907 7.811 4.111 423 HD12 LEU 62 2HD1 LEU 62 3.915 6.160 4.731 424 HD13 LEU 62 3HD1 LEU 62 4.616 6.512 3.151 425 HD21 LEU 62 3HD2 LEU 62 5.981 5.008 4.769 426 HD22 LEU 62 1HD2 LEU 62 7.181 5.814 5.780 427 HD23 LEU 62 2HD2 LEU 62 7.336 5.857 4.024 428 H THR 63 H THR 63 9.486 10.492 5.584 429 HA THR 63 HA THR 63 10.190 11.685 3.104 430 HB THR 63 HB THR 63 7.972 12.682 3.244 431 HG1 THR 63 1HG THR 63 9.653 14.798 4.015 432 HG21 THR 63 3HG2 THR 63 8.889 13.521 5.984 433 HG22 THR 63 1HG2 THR 63 7.434 12.632 5.539 434 HG23 THR 63 2HG2 THR 63 7.577 14.344 5.141 435 H GLY 64 H GLY 64 11.775 13.360 3.330 436 HA2 GLY 64 1HA GLY 64 12.645 14.577 5.638 437 HA3 GLY 64 2HA GLY 64 13.430 13.004 5.634 438 H GLN 65 H GLN 65 14.465 15.806 5.338 439 HA GLN 65 HA GLN 65 15.915 17.013 4.041 440 HB2 GLN 65 1HB GLN 65 17.229 15.001 4.836 441 HB3 GLN 65 2HB GLN 65 16.943 14.288 3.254 442 HG2 GLN 65 1HG GLN 65 18.978 15.218 2.886 443 HG3 GLN 65 2HG GLN 65 17.952 16.575 2.423 444 HE21 GLN 65 1HE2 GLN 65 17.551 18.215 4.064 445 HE22 GLN 65 2HE2 GLN 65 18.789 18.564 5.218 446 H ASN 66 H ASN 66 13.494 16.688 2.736 447 HA ASN 66 HA ASN 66 12.473 16.578 0.683 448 HB2 ASN 66 1HB ASN 66 13.754 18.731 0.676 449 HB3 ASN 66 2HB ASN 66 15.054 17.901 -0.174 450 HD21 ASN 66 1HD2 ASN 66 15.055 18.391 -2.234 451 HD22 ASN 66 2HD2 ASN 66 13.664 18.596 -3.238 452 H THR 67 H THR 67 13.654 14.145 1.236 453 HA THR 67 HA THR 67 15.133 13.329 -1.138 454 HB THR 67 HB THR 67 14.274 11.656 1.230 455 HG1 THR 67 1HG THR 67 15.746 13.288 1.850 456 HG21 THR 67 3HG2 THR 67 16.634 10.828 -0.250 457 HG22 THR 67 1HG2 THR 67 15.186 10.847 -1.257 458 HG23 THR 67 2HG2 THR 67 15.217 9.893 0.227 459 H ALA 68 H ALA 68 12.259 12.119 0.603 460 HA ALA 68 HA ALA 68 11.309 10.877 -1.859 461 HB1 ALA 68 3HB ALA 68 10.561 10.639 1.026 462 HB2 ALA 68 1HB ALA 68 9.453 10.085 -0.230 463 HB3 ALA 68 2HB ALA 68 11.069 9.387 -0.106 464 H THR 69 H THR 69 10.096 12.036 -3.193 465 HA THR 69 HA THR 69 8.314 14.092 -2.062 466 HB THR 69 HB THR 69 8.383 15.200 -4.250 467 HG1 THR 69 1HG THR 69 10.480 13.488 -5.045 468 HG21 THR 69 3HG2 THR 69 10.948 15.659 -4.240 469 HG22 THR 69 1HG2 THR 69 10.942 14.644 -2.798 470 HG23 THR 69 2HG2 THR 69 9.979 16.121 -2.841 471 H ASN 70 H ASN 70 6.375 13.133 -1.813 472 HA ASN 70 HA ASN 70 5.162 11.931 -4.206 473 HB2 ASN 70 1HB ASN 70 5.046 10.873 -1.377 474 HB3 ASN 70 2HB ASN 70 3.962 10.337 -2.658 475 HD21 ASN 70 1HD2 ASN 70 4.758 8.227 -2.447 476 HD22 ASN 70 2HD2 ASN 70 6.297 7.775 -3.089 477 HA PRO 71 HA PRO 71 2.383 15.283 -2.930 478 HB2 PRO 71 1HB PRO 71 1.236 15.540 -5.378 479 HB3 PRO 71 2HB PRO 71 2.785 16.281 -4.960 480 HG2 PRO 71 1HG PRO 71 2.240 13.749 -6.461 481 HG3 PRO 71 2HG PRO 71 3.423 15.024 -6.810 482 HD2 PRO 71 1HD PRO 71 4.102 12.696 -5.604 483 HD3 PRO 71 2HD PRO 71 4.925 14.229 -5.253 484 HA PRO 72 HA PRO 72 -1.278 12.949 -2.195 485 HB2 PRO 72 1HB PRO 72 -3.119 14.941 -2.086 486 HB3 PRO 72 2HB PRO 72 -1.932 14.659 -0.807 487 HG2 PRO 72 1HG PRO 72 -1.879 16.661 -3.032 488 HG3 PRO 72 2HG PRO 72 -1.452 16.874 -1.324 489 HD2 PRO 72 1HD PRO 72 0.410 16.529 -3.260 490 HD3 PRO 72 2HD PRO 72 0.637 15.940 -1.600 491 H GLY 73 H GLY 73 -2.251 11.697 -3.657 492 HA2 GLY 73 1HA GLY 73 -2.570 12.076 -6.324 493 HA3 GLY 73 2HA GLY 73 -3.682 11.104 -5.371 494 H LEU 74 H LEU 74 -4.243 12.720 -7.722 495 HA LEU 74 HA LEU 74 -5.698 15.032 -6.781 496 HB2 LEU 74 1HB LEU 74 -5.293 13.748 -9.459 497 HB3 LEU 74 2HB LEU 74 -6.485 15.026 -9.232 498 HG LEU 74 HG LEU 74 -4.414 16.321 -8.241 499 HD11 LEU 74 1HD1 LEU 74 -3.159 13.985 -8.926 500 HD12 LEU 74 2HD1 LEU 74 -2.369 15.543 -8.686 501 HD13 LEU 74 3HD1 LEU 74 -2.819 15.024 -10.310 502 HD21 LEU 74 3HD2 LEU 74 -3.904 17.041 -10.648 503 HD22 LEU 74 1HD2 LEU 74 -5.553 17.245 -10.057 504 HD23 LEU 74 2HD2 LEU 74 -5.157 15.890 -11.115 505 H THR 75 H THR 75 -6.443 11.799 -7.993 506 HA THR 75 HA THR 75 -9.299 12.240 -7.683 507 HB THR 75 HB THR 75 -7.858 9.698 -8.459 508 HG1 THR 75 1HG THR 75 -8.631 10.413 -10.613 509 HG21 THR 75 3HG2 THR 75 -10.054 9.087 -9.422 510 HG22 THR 75 1HG2 THR 75 -10.743 10.552 -8.725 511 HG23 THR 75 2HG2 THR 75 -10.114 9.285 -7.671 512 H GLY 76 H GLY 76 -10.632 11.091 -6.253 513 HA2 GLY 76 1HA GLY 76 -10.984 9.476 -4.517 514 HA3 GLY 76 2HA GLY 76 -9.270 9.567 -4.137 515 H VAL 77 H VAL 77 -8.923 12.315 -3.974 516 HA VAL 77 HA VAL 77 -10.482 12.911 -1.553 517 HB VAL 77 HB VAL 77 -7.810 14.013 -2.435 518 HG11 VAL 77 1HG1 VAL 77 -9.452 14.527 0.040 519 HG12 VAL 77 2HG1 VAL 77 -7.758 14.987 -0.142 520 HG13 VAL 77 3HG1 VAL 77 -8.983 15.695 -1.195 521 HG21 VAL 77 3HG2 VAL 77 -7.225 11.939 -1.692 522 HG22 VAL 77 1HG2 VAL 77 -7.263 12.785 -0.145 523 HG23 VAL 77 2HG2 VAL 77 -8.634 11.794 -0.643 524 H GLY 78 H GLY 78 -12.283 13.861 -2.523 525 HA2 GLY 78 1HA GLY 78 -13.531 15.570 -3.411 526 HA3 GLY 78 2HA GLY 78 -12.204 16.618 -2.931 Start of MODEL 5 1 H1 GLY 1 H GLY 1 7.134 -34.600 13.993 2 HA2 GLY 1 1HA GLY 1 4.463 -35.481 13.458 3 HA3 GLY 1 2HA GLY 1 4.486 -33.934 14.292 4 H SER 2 H SER 2 3.994 -35.089 11.395 5 HA SER 2 HA SER 2 5.771 -33.370 9.868 6 HB2 SER 2 1HB SER 2 5.163 -35.646 9.052 7 HB3 SER 2 2HB SER 2 3.491 -35.107 8.892 8 HG SER 2 HG SER 2 5.126 -33.371 7.663 9 H SER 3 H SER 3 4.173 -31.927 11.617 10 HA SER 3 HA SER 3 2.267 -30.611 9.793 11 HB2 SER 3 1HB SER 3 0.965 -29.938 11.717 12 HB3 SER 3 2HB SER 3 1.230 -31.680 11.805 13 HG SER 3 HG SER 3 3.202 -30.856 13.112 14 H GLY 4 H GLY 4 2.959 -28.714 9.078 15 HA2 GLY 4 1HA GLY 4 3.775 -26.591 10.694 16 HA3 GLY 4 2HA GLY 4 5.231 -27.384 10.111 17 H SER 5 H SER 5 5.182 -24.944 9.328 18 HA SER 5 HA SER 5 3.631 -24.167 7.153 19 HB2 SER 5 1HB SER 5 5.207 -22.434 6.800 20 HB3 SER 5 2HB SER 5 5.270 -22.761 8.532 21 HG SER 5 HG SER 5 7.352 -22.799 7.993 22 H SER 6 H SER 6 3.855 -24.320 4.943 23 HA SER 6 HA SER 6 5.676 -26.437 4.016 24 HB2 SER 6 1HB SER 6 3.013 -25.473 2.969 25 HB3 SER 6 2HB SER 6 4.074 -26.524 2.032 26 HG SER 6 HG SER 6 2.974 -27.080 4.590 27 H GLY 7 H GLY 7 7.432 -25.722 3.017 28 HA2 GLY 7 1HA GLY 7 8.801 -24.518 1.621 29 HA3 GLY 7 2HA GLY 7 7.347 -24.042 0.756 30 H THR 8 H THR 8 9.190 -22.187 0.776 31 HA THR 8 HA THR 8 8.005 -20.061 2.288 32 HB THR 8 HB THR 8 9.480 -20.992 4.019 33 HG1 THR 8 1HG THR 8 9.871 -18.453 2.916 34 HG21 THR 8 3HG2 THR 8 11.176 -21.983 2.548 35 HG22 THR 8 1HG2 THR 8 11.909 -20.921 3.749 36 HG23 THR 8 2HG2 THR 8 11.716 -20.370 2.085 37 H GLU 9 H GLU 9 8.227 -18.180 1.224 38 HA GLU 9 HA GLU 9 10.474 -17.809 -0.605 39 HB2 GLU 9 1HB GLU 9 7.570 -17.743 -1.413 40 HB3 GLU 9 2HB GLU 9 8.833 -16.964 -2.356 41 HG2 GLU 9 1HG GLU 9 9.068 -19.851 -1.632 42 HG3 GLU 9 2HG GLU 9 8.048 -19.349 -2.979 43 H GLU 10 H GLU 10 10.413 -15.531 -1.551 44 HA GLU 10 HA GLU 10 10.488 -13.660 0.500 45 HB2 GLU 10 1HB GLU 10 10.393 -13.432 -2.488 46 HB3 GLU 10 2HB GLU 10 10.319 -11.982 -1.496 47 HG2 GLU 10 1HG GLU 10 12.489 -13.976 -1.041 48 HG3 GLU 10 2HG GLU 10 12.601 -12.843 -2.386 49 H HIS 11 H HIS 11 8.144 -13.600 -2.189 50 HA HIS 11 HA HIS 11 6.127 -12.612 -0.282 51 HB2 HIS 11 1HB HIS 11 6.678 -10.710 -1.570 52 HB3 HIS 11 2HB HIS 11 6.760 -11.642 -3.062 53 HD2 HIS 11 2HD HIS 11 3.642 -11.629 -0.650 54 HE1 HIS 11 1HE HIS 11 2.519 -10.022 -4.413 55 HE2 HIS 11 2HE HIS 11 1.736 -10.659 -2.105 56 H VAL 12 H VAL 12 5.319 -14.736 -0.049 57 HA VAL 12 HA VAL 12 3.909 -15.762 -2.427 58 HB VAL 12 HB VAL 12 5.661 -17.303 -1.681 59 HG11 VAL 12 1HG1 VAL 12 5.162 -16.467 0.821 60 HG12 VAL 12 2HG1 VAL 12 4.259 -17.983 0.826 61 HG13 VAL 12 3HG1 VAL 12 5.982 -17.984 0.450 62 HG21 VAL 12 3HG2 VAL 12 3.189 -17.963 -2.415 63 HG22 VAL 12 1HG2 VAL 12 4.402 -19.172 -1.993 64 HG23 VAL 12 2HG2 VAL 12 3.189 -18.689 -0.808 65 H GLY 13 H GLY 13 3.750 -15.178 1.046 66 HA2 GLY 13 1HA GLY 13 1.353 -14.236 1.473 67 HA3 GLY 13 2HA GLY 13 0.901 -15.881 1.052 68 H SER 14 H SER 14 3.664 -14.733 2.955 69 HA SER 14 HA SER 14 2.774 -16.479 5.138 70 HB2 SER 14 1HB SER 14 5.142 -16.575 4.043 71 HB3 SER 14 2HB SER 14 5.469 -15.157 5.040 72 HG SER 14 HG SER 14 5.454 -17.721 5.761 73 H GLY 15 H GLY 15 1.480 -15.402 6.502 74 HA2 GLY 15 1HA GLY 15 0.614 -13.603 7.703 75 HA3 GLY 15 2HA GLY 15 2.210 -13.708 8.431 76 H LEU 16 H LEU 16 1.201 -12.602 5.207 77 HA LEU 16 HA LEU 16 2.518 -10.035 5.795 78 HB2 LEU 16 1HB LEU 16 2.531 -9.917 3.199 79 HB3 LEU 16 2HB LEU 16 3.734 -10.887 4.047 80 HG LEU 16 HG LEU 16 2.559 -12.916 3.498 81 HD11 LEU 16 1HD1 LEU 16 0.322 -12.687 3.440 82 HD12 LEU 16 2HD1 LEU 16 0.595 -12.401 1.722 83 HD13 LEU 16 3HD1 LEU 16 0.398 -11.037 2.822 84 HD21 LEU 16 3HD2 LEU 16 3.632 -12.919 1.557 85 HD22 LEU 16 1HD2 LEU 16 3.708 -11.158 1.602 86 HD23 LEU 16 2HD2 LEU 16 2.345 -11.962 0.823 87 H GLU 17 H GLU 17 -0.456 -11.435 5.455 88 HA GLU 17 HA GLU 17 -2.069 -10.016 3.858 89 HB2 GLU 17 1HB GLU 17 -3.830 -10.142 5.588 90 HB3 GLU 17 2HB GLU 17 -2.947 -11.652 5.415 91 HG2 GLU 17 1HG GLU 17 -1.618 -11.093 7.395 92 HG3 GLU 17 2HG GLU 17 -2.535 -9.599 7.577 93 H CYS 18 H CYS 18 -2.961 -8.004 3.690 94 HA CYS 18 HA CYS 18 -1.533 -5.790 4.568 95 HB2 CYS 18 1HB CYS 18 -2.890 -5.379 2.724 96 HB3 CYS 18 2HB CYS 18 -4.290 -6.160 3.453 97 HA PRO 19 HA PRO 19 -2.790 -5.509 8.812 98 HB2 PRO 19 1HB PRO 19 -1.641 -3.103 9.320 99 HB3 PRO 19 2HB PRO 19 -0.714 -4.603 9.197 100 HG2 PRO 19 1HG PRO 19 -1.126 -2.459 7.149 101 HG3 PRO 19 2HG PRO 19 0.359 -3.330 7.573 102 HD2 PRO 19 1HD PRO 19 -1.130 -3.959 5.401 103 HD3 PRO 19 2HD PRO 19 -0.215 -5.175 6.316 104 H VAL 20 H VAL 20 -3.343 -2.955 6.449 105 HA VAL 20 HA VAL 20 -4.974 -1.243 7.880 106 HB VAL 20 HB VAL 20 -5.532 -1.964 5.011 107 HG11 VAL 20 1HG1 VAL 20 -6.193 0.248 6.828 108 HG12 VAL 20 2HG1 VAL 20 -5.661 0.736 5.217 109 HG13 VAL 20 3HG1 VAL 20 -7.044 -0.345 5.401 110 HG21 VAL 20 3HG2 VAL 20 -3.465 -1.391 4.430 111 HG22 VAL 20 1HG2 VAL 20 -3.736 0.208 5.123 112 HG23 VAL 20 2HG2 VAL 20 -3.049 -1.079 6.115 113 H CYS 21 H CYS 21 -5.941 -4.103 5.994 114 HA CYS 21 HA CYS 21 -8.560 -4.012 7.335 115 HB2 CYS 21 1HB CYS 21 -9.251 -5.576 5.450 116 HB3 CYS 21 2HB CYS 21 -8.897 -3.913 4.992 117 H LYS 22 H LYS 22 -5.643 -5.766 7.041 118 HA LYS 22 HA LYS 22 -4.871 -7.666 8.023 119 HB2 LYS 22 1HB LYS 22 -7.411 -7.591 9.657 120 HB3 LYS 22 2HB LYS 22 -5.921 -8.435 10.059 121 HG2 LYS 22 1HG LYS 22 -5.775 -5.503 9.639 122 HG3 LYS 22 2HG LYS 22 -6.542 -6.094 11.115 123 HD2 LYS 22 1HD LYS 22 -4.549 -7.349 11.686 124 HD3 LYS 22 2HD LYS 22 -3.784 -6.873 10.168 125 HE2 LYS 22 1HE LYS 22 -3.420 -4.717 10.871 126 HE3 LYS 22 2HE LYS 22 -4.767 -4.746 12.008 127 HZ1 LYS 22 3HZ LYS 22 -2.621 -6.592 12.607 128 HZ2 LYS 22 1HZ LYS 22 -3.482 -5.560 13.635 129 HZ3 LYS 22 2HZ LYS 22 -2.197 -4.958 12.714 130 H GLU 23 H GLU 23 -6.281 -7.928 5.616 131 HA GLU 23 HA GLU 23 -7.835 -10.394 5.963 132 HB2 GLU 23 1HB GLU 23 -7.600 -8.490 3.631 133 HB3 GLU 23 2HB GLU 23 -8.475 -10.013 3.561 134 HG2 GLU 23 1HG GLU 23 -9.164 -8.106 5.727 135 HG3 GLU 23 2HG GLU 23 -9.683 -7.730 4.085 136 H ASP 24 H ASP 24 -6.026 -9.399 3.110 137 HA ASP 24 HA ASP 24 -3.757 -10.971 3.396 138 HB2 ASP 24 1HB ASP 24 -4.494 -12.847 1.760 139 HB3 ASP 24 2HB ASP 24 -4.939 -12.982 3.459 140 H TYR 25 H TYR 25 -2.756 -11.519 1.189 141 HA TYR 25 HA TYR 25 -3.313 -9.259 -0.597 142 HB2 TYR 25 1HB TYR 25 -0.866 -10.970 -0.176 143 HB3 TYR 25 2HB TYR 25 -1.021 -9.869 -1.540 144 HD1 TYR 25 1HD TYR 25 -2.356 -7.561 -0.260 145 HD2 TYR 25 2HD TYR 25 0.820 -10.026 1.132 146 HE1 TYR 25 1HE TYR 25 -1.540 -5.709 1.138 147 HE2 TYR 25 2HE TYR 25 1.645 -8.181 2.534 148 HH TYR 25 HH TYR 25 0.446 -6.024 3.630 149 H ALA 26 H ALA 26 -2.307 -9.989 -2.947 150 HA ALA 26 HA ALA 26 -3.019 -12.591 -3.829 151 HB1 ALA 26 3HB ALA 26 -4.933 -10.438 -4.700 152 HB2 ALA 26 1HB ALA 26 -5.015 -12.166 -5.044 153 HB3 ALA 26 2HB ALA 26 -5.278 -11.580 -3.401 154 H LEU 27 H LEU 27 -1.974 -13.005 -5.680 155 HA LEU 27 HA LEU 27 -0.059 -11.507 -6.805 156 HB2 LEU 27 1HB LEU 27 -1.916 -13.163 -8.498 157 HB3 LEU 27 2HB LEU 27 -0.213 -12.816 -8.793 158 HG LEU 27 HG LEU 27 0.074 -14.097 -6.494 159 HD11 LEU 27 1HD1 LEU 27 -2.671 -14.396 -6.945 160 HD12 LEU 27 2HD1 LEU 27 -1.680 -15.227 -5.747 161 HD13 LEU 27 3HD1 LEU 27 -1.947 -15.958 -7.329 162 HD21 LEU 27 3HD2 LEU 27 0.017 -14.917 -9.303 163 HD22 LEU 27 1HD2 LEU 27 -0.139 -16.249 -8.157 164 HD23 LEU 27 2HD2 LEU 27 1.253 -15.169 -8.069 165 H GLY 28 H GLY 28 -3.447 -11.484 -7.915 166 HA2 GLY 28 1HA GLY 28 -3.013 -9.402 -9.821 167 HA3 GLY 28 2HA GLY 28 -4.571 -10.002 -9.275 168 H GLU 29 H GLU 29 -3.835 -9.460 -6.437 169 HA GLU 29 HA GLU 29 -4.925 -6.851 -6.271 170 HB2 GLU 29 1HB GLU 29 -3.814 -8.807 -4.299 171 HB3 GLU 29 2HB GLU 29 -4.119 -7.153 -3.788 172 HG2 GLU 29 1HG GLU 29 -6.440 -7.345 -4.319 173 HG3 GLU 29 2HG GLU 29 -6.189 -8.923 -5.063 174 H SER 30 H SER 30 -3.909 -5.001 -6.616 175 HA SER 30 HA SER 30 -1.093 -4.797 -6.864 176 HB2 SER 30 1HB SER 30 -2.801 -3.346 -8.034 177 HB3 SER 30 2HB SER 30 -3.032 -2.504 -6.502 178 HG SER 30 HG SER 30 -0.438 -2.600 -6.932 179 H VAL 31 H VAL 31 0.130 -5.153 -5.106 180 HA VAL 31 HA VAL 31 -0.620 -3.919 -2.558 181 HB VAL 31 HB VAL 31 1.561 -5.277 -1.875 182 HG11 VAL 31 1HG1 VAL 31 -1.141 -6.526 -2.366 183 HG12 VAL 31 2HG1 VAL 31 0.104 -7.169 -1.294 184 HG13 VAL 31 3HG1 VAL 31 -0.654 -5.617 -0.936 185 HG21 VAL 31 3HG2 VAL 31 0.516 -6.908 -4.183 186 HG22 VAL 31 1HG2 VAL 31 1.970 -5.913 -4.267 187 HG23 VAL 31 2HG2 VAL 31 1.893 -7.270 -3.142 188 H ARG 32 H ARG 32 0.837 -2.630 -1.369 189 HA ARG 32 HA ARG 32 3.027 -1.461 -2.957 190 HB2 ARG 32 1HB ARG 32 1.610 0.334 -2.958 191 HB3 ARG 32 2HB ARG 32 0.808 -0.161 -1.473 192 HG2 ARG 32 1HG ARG 32 2.270 0.951 -0.146 193 HG3 ARG 32 2HG ARG 32 3.625 0.712 -1.251 194 HD2 ARG 32 1HD ARG 32 2.629 2.380 -2.777 195 HD3 ARG 32 2HD ARG 32 1.343 2.653 -1.601 196 HE ARG 32 HE ARG 32 3.694 3.059 -0.234 197 HH11 ARG 32 1HH1 ARG 32 2.143 4.417 -3.040 198 HH12 ARG 32 2HH1 ARG 32 2.843 5.988 -2.828 199 HH21 ARG 32 1HH2 ARG 32 4.622 5.123 0.055 200 HH22 ARG 32 2HH2 ARG 32 4.254 6.388 -1.068 201 H GLN 33 H GLN 33 4.959 -1.242 -1.970 202 HA GLN 33 HA GLN 33 5.151 -2.208 0.794 203 HB2 GLN 33 1HB GLN 33 6.454 -3.354 -1.026 204 HB3 GLN 33 2HB GLN 33 7.383 -1.872 -1.213 205 HG2 GLN 33 1HG GLN 33 8.561 -2.202 0.684 206 HG3 GLN 33 2HG GLN 33 7.215 -2.979 1.516 207 HE21 GLN 33 1HE2 GLN 33 8.683 -4.571 2.256 208 HE22 GLN 33 2HE2 GLN 33 9.197 -5.854 1.220 209 H LEU 34 H LEU 34 6.088 -1.021 2.399 210 HA LEU 34 HA LEU 34 6.520 1.813 1.807 211 HB2 LEU 34 1HB LEU 34 5.876 0.275 4.292 212 HB3 LEU 34 2HB LEU 34 6.547 1.901 4.396 213 HG LEU 34 HG LEU 34 3.892 1.050 3.270 214 HD11 LEU 34 1HD1 LEU 34 4.291 1.524 5.753 215 HD12 LEU 34 2HD1 LEU 34 2.957 2.362 4.959 216 HD13 LEU 34 3HD1 LEU 34 4.472 3.210 5.267 217 HD21 LEU 34 3HD2 LEU 34 3.886 3.742 3.018 218 HD22 LEU 34 1HD2 LEU 34 4.233 2.624 1.699 219 HD23 LEU 34 2HD2 LEU 34 5.557 3.377 2.588 220 HA PRO 35 HA PRO 35 10.854 1.747 2.486 221 HB2 PRO 35 1HB PRO 35 11.264 4.034 3.891 222 HB3 PRO 35 2HB PRO 35 10.844 4.024 2.174 223 HG2 PRO 35 1HG PRO 35 9.083 4.474 4.552 224 HG3 PRO 35 2HG PRO 35 9.118 5.341 3.006 225 HD2 PRO 35 1HD PRO 35 7.278 3.434 3.566 226 HD3 PRO 35 2HD PRO 35 7.891 3.717 1.924 227 H CYS 36 H CYS 36 8.766 1.044 4.890 228 HA CYS 36 HA CYS 36 10.883 0.815 6.927 229 HB2 CYS 36 1HB CYS 36 8.915 0.577 8.534 230 HB3 CYS 36 2HB CYS 36 9.175 2.173 7.837 231 H ASN 37 H ASN 37 9.768 -0.972 4.605 232 HA ASN 37 HA ASN 37 9.820 -3.225 4.226 233 HB2 ASN 37 1HB ASN 37 10.085 -3.917 7.112 234 HB3 ASN 37 2HB ASN 37 10.881 -4.624 5.708 235 HD21 ASN 37 1HD2 ASN 37 12.050 -3.781 8.207 236 HD22 ASN 37 2HD2 ASN 37 13.225 -2.575 7.821 237 H HIS 38 H HIS 38 7.435 -1.676 4.953 238 HA HIS 38 HA HIS 38 5.737 -3.900 5.878 239 HB2 HIS 38 1HB HIS 38 5.510 -0.948 6.447 240 HB3 HIS 38 2HB HIS 38 4.155 -2.052 6.661 241 HD2 HIS 38 2HD HIS 38 5.597 -4.477 8.236 242 HE1 HIS 38 1HE HIS 38 6.942 -1.477 10.918 243 HE2 HIS 38 2HE HIS 38 6.641 -3.950 10.543 244 H LEU 39 H LEU 39 4.277 -4.579 4.458 245 HA LEU 39 HA LEU 39 3.809 -2.981 2.054 246 HB2 LEU 39 1HB LEU 39 3.495 -5.868 2.752 247 HB3 LEU 39 2HB LEU 39 2.592 -5.195 1.397 248 HG LEU 39 HG LEU 39 5.542 -4.786 1.489 249 HD11 LEU 39 1HD1 LEU 39 4.868 -7.165 0.024 250 HD12 LEU 39 2HD1 LEU 39 4.442 -7.342 1.726 251 HD13 LEU 39 3HD1 LEU 39 6.093 -6.923 1.270 252 HD21 LEU 39 3HD2 LEU 39 4.370 -3.695 -0.272 253 HD22 LEU 39 1HD2 LEU 39 3.469 -5.160 -0.663 254 HD23 LEU 39 2HD2 LEU 39 5.202 -5.080 -0.979 255 H PHE 40 H PHE 40 1.634 -2.812 1.178 256 HA PHE 40 HA PHE 40 -0.619 -3.321 2.889 257 HB2 PHE 40 1HB PHE 40 0.052 -0.436 2.284 258 HB3 PHE 40 2HB PHE 40 -1.302 -1.034 3.238 259 HD1 PHE 40 2HD PHE 40 2.404 -0.879 3.153 260 HD2 PHE 40 1HD PHE 40 -1.094 -1.322 5.537 261 HE1 PHE 40 2HE PHE 40 3.776 -0.719 5.190 262 HE2 PHE 40 1HE PHE 40 0.271 -1.161 7.577 263 HZ PHE 40 HZ PHE 40 2.710 -0.860 7.405 264 H HIS 41 H HIS 41 -2.576 -3.202 1.807 265 HA HIS 41 HA HIS 41 -2.600 -3.656 -0.922 266 HB2 HIS 41 1HB HIS 41 -4.754 -2.753 0.978 267 HB3 HIS 41 2HB HIS 41 -5.090 -3.024 -0.729 268 HD2 HIS 41 2HD HIS 41 -3.541 -5.844 -1.169 269 HE1 HIS 41 1HE HIS 41 -5.867 -7.205 2.107 270 HE2 HIS 41 2HE HIS 41 -4.390 -7.880 0.181 271 H ASP 42 H ASP 42 -2.691 -2.423 -2.711 272 HA ASP 42 HA ASP 42 -1.936 0.272 -2.636 273 HB2 ASP 42 1HB ASP 42 -1.494 -1.086 -4.590 274 HB3 ASP 42 2HB ASP 42 -3.218 -1.331 -4.856 275 H SER 43 H SER 43 -4.901 -1.087 -1.934 276 HA SER 43 HA SER 43 -6.356 1.369 -2.653 277 HB2 SER 43 1HB SER 43 -7.427 -0.521 -3.644 278 HB3 SER 43 2HB SER 43 -7.322 -1.448 -2.148 279 HG SER 43 HG SER 43 -8.685 0.976 -2.046 280 H CYS 44 H CYS 44 -4.927 -0.217 -0.086 281 HA CYS 44 HA CYS 44 -6.760 0.955 1.888 282 HB2 CYS 44 1HB CYS 44 -4.618 -1.161 2.155 283 HB3 CYS 44 2HB CYS 44 -5.486 -0.473 3.525 284 H ILE 45 H ILE 45 -3.428 0.949 0.785 285 HA ILE 45 HA ILE 45 -2.580 2.787 2.859 286 HB ILE 45 HB ILE 45 -1.180 0.919 1.616 287 HG12 ILE 45 1HG1 ILE 45 0.844 2.050 2.316 288 HG13 ILE 45 2HG1 ILE 45 0.035 3.613 2.263 289 HG21 ILE 45 1HG2 ILE 45 -1.472 1.859 -0.613 290 HG22 ILE 45 2HG2 ILE 45 -0.702 3.357 -0.093 291 HG23 ILE 45 3HG2 ILE 45 0.229 1.860 -0.149 292 HD11 ILE 45 3HD1 ILE 45 -1.007 1.474 4.057 293 HD12 ILE 45 1HD1 ILE 45 0.410 2.411 4.531 294 HD13 ILE 45 2HD1 ILE 45 -1.121 3.227 4.210 295 H VAL 46 H VAL 46 -3.088 2.849 -0.652 296 HA VAL 46 HA VAL 46 -2.232 5.326 -1.350 297 HB VAL 46 HB VAL 46 -4.512 3.661 -2.266 298 HG11 VAL 46 1HG1 VAL 46 -4.945 5.539 -4.001 299 HG12 VAL 46 2HG1 VAL 46 -5.712 5.637 -2.415 300 HG13 VAL 46 3HG1 VAL 46 -4.277 6.601 -2.763 301 HG21 VAL 46 3HG2 VAL 46 -3.271 3.431 -4.180 302 HG22 VAL 46 1HG2 VAL 46 -2.547 5.032 -4.033 303 HG23 VAL 46 2HG2 VAL 46 -1.986 3.714 -3.005 304 HA PRO 47 HA PRO 47 -6.345 7.393 0.126 305 HB2 PRO 47 1HB PRO 47 -8.002 5.896 1.671 306 HB3 PRO 47 2HB PRO 47 -8.111 5.939 -0.093 307 HG2 PRO 47 1HG PRO 47 -6.821 3.898 1.676 308 HG3 PRO 47 2HG PRO 47 -7.833 3.655 0.241 309 HD2 PRO 47 1HD PRO 47 -5.132 3.478 0.166 310 HD3 PRO 47 2HD PRO 47 -6.089 4.059 -1.212 311 H TRP 48 H TRP 48 -4.370 5.350 2.044 312 HA TRP 48 HA TRP 48 -5.000 6.647 4.555 313 HB2 TRP 48 1HB TRP 48 -4.404 4.283 4.573 314 HB3 TRP 48 2HB TRP 48 -2.851 4.645 3.826 315 HD1 TRP 48 HD TRP 48 -0.895 5.387 5.394 316 HE1 TRP 48 1HE TRP 48 -0.641 5.604 7.947 317 HE3 TRP 48 3HE TRP 48 -5.807 4.936 6.739 318 HZ2 TRP 48 2HZ TRP 48 -2.304 5.586 10.228 319 HZ3 TRP 48 3HZ TRP 48 -6.391 5.046 9.127 320 HH2 TRP 48 HH TRP 48 -4.674 5.364 10.834 321 H LEU 49 H LEU 49 -2.029 6.317 2.600 322 HA LEU 49 HA LEU 49 -0.506 8.202 3.963 323 HB2 LEU 49 1HB LEU 49 -0.308 7.761 1.000 324 HB3 LEU 49 2HB LEU 49 0.977 8.168 2.135 325 HG LEU 49 HG LEU 49 -0.447 5.514 1.942 326 HD11 LEU 49 1HD1 LEU 49 2.251 6.471 1.033 327 HD12 LEU 49 2HD1 LEU 49 0.988 5.686 0.087 328 HD13 LEU 49 3HD1 LEU 49 1.887 4.765 1.292 329 HD21 LEU 49 3HD2 LEU 49 0.750 4.766 3.745 330 HD22 LEU 49 1HD2 LEU 49 0.481 6.443 4.222 331 HD23 LEU 49 2HD2 LEU 49 2.031 5.961 3.532 332 H GLU 50 H GLU 50 -2.971 8.621 1.529 333 HA GLU 50 HA GLU 50 -2.348 11.333 0.906 334 HB2 GLU 50 1HB GLU 50 -4.711 9.549 0.418 335 HB3 GLU 50 2HB GLU 50 -4.813 11.269 0.070 336 HG2 GLU 50 1HG GLU 50 -2.726 10.955 -1.339 337 HG3 GLU 50 2HG GLU 50 -3.013 9.223 -1.180 338 H GLN 51 H GLN 51 -3.509 9.951 3.677 339 HA GLN 51 HA GLN 51 -4.923 12.417 4.452 340 HB2 GLN 51 1HB GLN 51 -5.460 9.547 5.093 341 HB3 GLN 51 2HB GLN 51 -5.895 10.780 6.269 342 HG2 GLN 51 1HG GLN 51 -7.021 11.882 4.144 343 HG3 GLN 51 2HG GLN 51 -7.048 10.204 3.602 344 HE21 GLN 51 1HE2 GLN 51 -9.378 11.564 3.994 345 HE22 GLN 51 2HE2 GLN 51 -10.204 10.932 5.374 346 H HIS 52 H HIS 52 -2.757 9.839 5.533 347 HA HIS 52 HA HIS 52 -1.880 11.586 7.737 348 HB2 HIS 52 1HB HIS 52 -1.398 8.615 7.583 349 HB3 HIS 52 2HB HIS 52 -1.290 9.665 8.992 350 HD2 HIS 52 2HD HIS 52 -4.136 8.168 6.700 351 HE1 HIS 52 1HE HIS 52 -5.735 9.108 10.516 352 HE2 HIS 52 2HE HIS 52 -6.168 8.006 8.293 353 H ASP 53 H ASP 53 -0.898 9.766 4.943 354 HA ASP 53 HA ASP 53 1.053 9.650 3.779 355 HB2 ASP 53 1HB ASP 53 1.939 12.084 5.327 356 HB3 ASP 53 2HB ASP 53 2.437 11.589 3.712 357 H SER 54 H SER 54 0.917 8.022 6.005 358 HA SER 54 HA SER 54 3.719 7.609 6.536 359 HB2 SER 54 1HB SER 54 1.874 8.031 8.896 360 HB3 SER 54 2HB SER 54 3.608 7.716 8.943 361 HG SER 54 HG SER 54 2.491 10.042 8.935 362 H CYS 55 H CYS 55 3.945 5.646 8.097 363 HA CYS 55 HA CYS 55 2.413 3.516 6.941 364 HB2 CYS 55 1HB CYS 55 4.821 3.291 7.492 365 HB3 CYS 55 2HB CYS 55 4.423 3.424 9.201 366 HA PRO 56 HA PRO 56 -0.822 3.661 9.994 367 HB2 PRO 56 1HB PRO 56 -2.165 1.484 9.085 368 HB3 PRO 56 2HB PRO 56 -2.240 3.060 8.289 369 HG2 PRO 56 1HG PRO 56 -0.593 0.661 7.588 370 HG3 PRO 56 2HG PRO 56 -1.500 1.747 6.519 371 HD2 PRO 56 1HD PRO 56 1.180 1.939 6.859 372 HD3 PRO 56 2HD PRO 56 0.154 3.352 6.540 373 H VAL 57 H VAL 57 1.761 1.660 9.885 374 HA VAL 57 HA VAL 57 0.760 -0.038 12.078 375 HB VAL 57 HB VAL 57 2.984 -0.612 10.116 376 HG11 VAL 57 1HG1 VAL 57 3.323 -1.398 12.514 377 HG12 VAL 57 2HG1 VAL 57 1.954 -2.478 12.235 378 HG13 VAL 57 3HG1 VAL 57 3.411 -2.626 11.251 379 HG21 VAL 57 3HG2 VAL 57 0.327 -0.898 9.699 380 HG22 VAL 57 1HG2 VAL 57 1.560 -1.926 8.967 381 HG23 VAL 57 2HG2 VAL 57 0.714 -2.461 10.419 382 H CYS 58 H CYS 58 3.722 1.516 10.845 383 HA CYS 58 HA CYS 58 4.624 1.808 13.634 384 HB2 CYS 58 1HB CYS 58 6.897 1.844 12.813 385 HB3 CYS 58 2HB CYS 58 6.084 0.420 12.170 386 H ARG 59 H ARG 59 3.537 3.465 10.891 387 HA ARG 59 HA ARG 59 3.303 5.668 10.377 388 HB2 ARG 59 1HB ARG 59 4.060 6.190 13.255 389 HB3 ARG 59 2HB ARG 59 3.152 7.251 12.186 390 HG2 ARG 59 1HG ARG 59 2.112 4.526 12.824 391 HG3 ARG 59 2HG ARG 59 1.906 5.851 13.971 392 HD2 ARG 59 1HD ARG 59 1.082 7.087 11.754 393 HD3 ARG 59 2HD ARG 59 0.685 5.429 11.304 394 HE ARG 59 HE ARG 59 -0.990 5.429 12.879 395 HH11 ARG 59 1HH1 ARG 59 1.047 8.215 13.333 396 HH12 ARG 59 2HH1 ARG 59 -0.014 8.968 14.476 397 HH21 ARG 59 1HH2 ARG 59 -2.396 6.410 14.383 398 HH22 ARG 59 2HH2 ARG 59 -1.973 7.939 15.074 399 H LYS 60 H LYS 60 5.847 4.423 9.957 400 HA LYS 60 HA LYS 60 7.983 6.097 10.761 401 HB2 LYS 60 1HB LYS 60 7.604 3.917 8.773 402 HB3 LYS 60 2HB LYS 60 8.990 4.976 8.551 403 HG2 LYS 60 1HG LYS 60 8.517 3.809 11.243 404 HG3 LYS 60 2HG LYS 60 9.162 2.773 9.968 405 HD2 LYS 60 1HD LYS 60 11.134 3.934 9.835 406 HD3 LYS 60 2HD LYS 60 10.407 5.444 10.388 407 HE2 LYS 60 1HE LYS 60 10.744 3.061 12.189 408 HE3 LYS 60 2HE LYS 60 12.006 4.275 11.986 409 HZ1 LYS 60 3HZ LYS 60 10.918 5.165 13.744 410 HZ2 LYS 60 1HZ LYS 60 9.425 4.483 13.333 411 HZ3 LYS 60 2HZ LYS 60 9.979 5.859 12.520 412 H SER 61 H SER 61 8.191 8.162 10.220 413 HA SER 61 HA SER 61 6.851 9.636 8.395 414 HB2 SER 61 1HB SER 61 8.416 10.613 10.013 415 HB3 SER 61 2HB SER 61 9.779 9.972 9.096 416 HG SER 61 HG SER 61 7.988 11.504 7.652 417 H LEU 62 H LEU 62 6.511 9.336 6.302 418 HA LEU 62 HA LEU 62 8.547 8.028 4.668 419 HB2 LEU 62 1HB LEU 62 5.798 8.862 3.791 420 HB3 LEU 62 2HB LEU 62 6.854 7.654 3.062 421 HG LEU 62 HG LEU 62 5.657 7.321 5.803 422 HD11 LEU 62 1HD1 LEU 62 3.834 6.161 4.904 423 HD12 LEU 62 2HD1 LEU 62 4.554 6.095 3.296 424 HD13 LEU 62 3HD1 LEU 62 3.952 7.627 3.929 425 HD21 LEU 62 3HD2 LEU 62 6.011 4.865 4.982 426 HD22 LEU 62 1HD2 LEU 62 7.365 5.791 5.630 427 HD23 LEU 62 2HD2 LEU 62 7.174 5.610 3.886 428 H THR 63 H THR 63 9.040 10.703 5.557 429 HA THR 63 HA THR 63 9.482 11.940 2.966 430 HB THR 63 HB THR 63 7.308 12.871 3.654 431 HG1 THR 63 1HG THR 63 7.974 14.696 2.819 432 HG21 THR 63 3HG2 THR 63 8.302 14.549 5.796 433 HG22 THR 63 1HG2 THR 63 8.405 12.839 6.211 434 HG23 THR 63 2HG2 THR 63 6.857 13.540 5.737 435 H GLY 64 H GLY 64 11.404 12.953 2.880 436 HA2 GLY 64 1HA GLY 64 12.798 14.568 4.363 437 HA3 GLY 64 2HA GLY 64 12.921 13.146 5.389 438 H GLN 65 H GLN 65 13.562 11.101 3.993 439 HA GLN 65 HA GLN 65 16.059 11.850 2.674 440 HB2 GLN 65 1HB GLN 65 15.101 9.132 3.584 441 HB3 GLN 65 2HB GLN 65 16.709 9.515 2.984 442 HG2 GLN 65 1HG GLN 65 15.453 10.559 5.511 443 HG3 GLN 65 2HG GLN 65 16.717 9.336 5.394 444 HE21 GLN 65 1HE2 GLN 65 16.860 11.775 6.848 445 HE22 GLN 65 2HE2 GLN 65 18.138 12.714 6.163 446 H ASN 66 H ASN 66 13.134 9.942 2.116 447 HA ASN 66 HA ASN 66 13.702 8.774 -0.302 448 HB2 ASN 66 1HB ASN 66 11.528 8.768 1.186 449 HB3 ASN 66 2HB ASN 66 11.013 10.032 0.073 450 HD21 ASN 66 1HD2 ASN 66 9.886 7.410 0.440 451 HD22 ASN 66 2HD2 ASN 66 10.001 6.601 -1.082 452 H THR 67 H THR 67 13.355 9.351 -2.482 453 HA THR 67 HA THR 67 13.199 12.244 -3.007 454 HB THR 67 HB THR 67 15.001 10.370 -4.543 455 HG1 THR 67 1HG THR 67 16.130 10.492 -2.725 456 HG21 THR 67 3HG2 THR 67 14.077 13.002 -5.010 457 HG22 THR 67 1HG2 THR 67 15.286 12.097 -5.920 458 HG23 THR 67 2HG2 THR 67 15.780 13.119 -4.570 459 H ALA 68 H ALA 68 12.133 12.866 -4.868 460 HA ALA 68 HA ALA 68 10.663 12.743 -6.601 461 HB1 ALA 68 3HB ALA 68 12.429 11.427 -7.676 462 HB2 ALA 68 1HB ALA 68 11.765 9.958 -6.960 463 HB3 ALA 68 2HB ALA 68 10.823 10.867 -8.142 464 H THR 69 H THR 69 9.549 12.389 -4.164 465 HA THR 69 HA THR 69 7.774 10.065 -4.357 466 HB THR 69 HB THR 69 8.076 12.039 -2.086 467 HG1 THR 69 1HG THR 69 9.604 10.754 -1.347 468 HG21 THR 69 3HG2 THR 69 6.425 9.578 -2.492 469 HG22 THR 69 1HG2 THR 69 5.974 11.122 -1.769 470 HG23 THR 69 2HG2 THR 69 6.994 9.994 -0.876 471 H ASN 70 H ASN 70 5.548 10.245 -4.446 472 HA ASN 70 HA ASN 70 4.559 12.710 -5.597 473 HB2 ASN 70 1HB ASN 70 3.270 10.018 -5.120 474 HB3 ASN 70 2HB ASN 70 2.430 11.383 -5.851 475 HD21 ASN 70 1HD2 ASN 70 3.191 8.707 -6.887 476 HD22 ASN 70 2HD2 ASN 70 4.062 9.022 -8.345 477 HA PRO 71 HA PRO 71 3.154 14.185 -1.632 478 HB2 PRO 71 1HB PRO 71 2.031 16.470 -2.575 479 HB3 PRO 71 2HB PRO 71 3.774 16.273 -2.361 480 HG2 PRO 71 1HG PRO 71 2.133 16.034 -4.853 481 HG3 PRO 71 2HG PRO 71 3.702 16.826 -4.619 482 HD2 PRO 71 1HD PRO 71 3.462 14.361 -5.715 483 HD3 PRO 71 2HD PRO 71 4.863 14.838 -4.734 484 HA PRO 72 HA PRO 72 -1.087 13.030 -1.422 485 HB2 PRO 72 1HB PRO 72 -1.975 14.641 0.574 486 HB3 PRO 72 2HB PRO 72 -0.914 13.256 0.858 487 HG2 PRO 72 1HG PRO 72 -0.222 16.161 0.648 488 HG3 PRO 72 2HG PRO 72 0.370 14.950 1.801 489 HD2 PRO 72 1HD PRO 72 1.806 15.731 -0.358 490 HD3 PRO 72 2HD PRO 72 1.893 14.085 0.303 491 H GLY 73 H GLY 73 -3.355 14.241 -1.045 492 HA2 GLY 73 1HA GLY 73 -3.972 15.572 -3.393 493 HA3 GLY 73 2HA GLY 73 -4.952 15.630 -1.935 494 H LEU 74 H LEU 74 -4.981 17.801 -3.513 495 HA LEU 74 HA LEU 74 -3.266 19.730 -2.091 496 HB2 LEU 74 1HB LEU 74 -2.821 19.441 -4.548 497 HB3 LEU 74 2HB LEU 74 -4.436 20.082 -4.843 498 HG LEU 74 HG LEU 74 -3.752 22.197 -3.751 499 HD11 LEU 74 1HD1 LEU 74 -0.959 22.022 -3.916 500 HD12 LEU 74 2HD1 LEU 74 -1.486 20.607 -3.006 501 HD13 LEU 74 3HD1 LEU 74 -1.945 22.222 -2.467 502 HD21 LEU 74 3HD2 LEU 74 -2.201 21.204 -6.129 503 HD22 LEU 74 1HD2 LEU 74 -2.138 22.879 -5.579 504 HD23 LEU 74 2HD2 LEU 74 -3.670 22.182 -6.109 505 H THR 75 H THR 75 -6.411 19.310 -3.691 506 HA THR 75 HA THR 75 -7.485 21.476 -2.014 507 HB THR 75 HB THR 75 -7.793 21.847 -4.408 508 HG1 THR 75 1HG THR 75 -9.461 22.543 -2.994 509 HG21 THR 75 3HG2 THR 75 -8.066 19.154 -4.633 510 HG22 THR 75 1HG2 THR 75 -8.550 20.308 -5.875 511 HG23 THR 75 2HG2 THR 75 -9.747 19.673 -4.747 512 H GLY 76 H GLY 76 -8.524 20.812 -0.255 513 HA2 GLY 76 1HA GLY 76 -9.548 19.327 1.212 514 HA3 GLY 76 2HA GLY 76 -10.789 19.408 -0.029 515 H VAL 77 H VAL 77 -7.741 17.714 0.692 516 HA VAL 77 HA VAL 77 -8.163 15.547 -1.036 517 HB VAL 77 HB VAL 77 -5.969 15.898 -0.163 518 HG11 VAL 77 1HG1 VAL 77 -5.461 15.562 2.246 519 HG12 VAL 77 2HG1 VAL 77 -6.482 16.966 1.928 520 HG13 VAL 77 3HG1 VAL 77 -7.194 15.481 2.560 521 HG21 VAL 77 3HG2 VAL 77 -5.380 13.689 0.586 522 HG22 VAL 77 1HG2 VAL 77 -7.035 13.382 1.111 523 HG23 VAL 77 2HG2 VAL 77 -6.673 13.556 -0.606 524 H GLY 78 H GLY 78 -8.991 13.486 -0.725 525 HA2 GLY 78 1HA GLY 78 -10.742 12.130 -0.027 526 HA3 GLY 78 2HA GLY 78 -9.794 12.142 1.453 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.731 -33.452 12.881 2 HA2 GLY 1 1HA GLY 1 1.461 -31.916 10.687 3 HA3 GLY 1 2HA GLY 1 0.139 -31.342 11.693 4 H SER 2 H SER 2 3.602 -31.526 11.320 5 HA SER 2 HA SER 2 4.261 -30.226 13.767 6 HB2 SER 2 1HB SER 2 5.842 -30.558 11.207 7 HB3 SER 2 2HB SER 2 6.503 -29.923 12.713 8 HG SER 2 HG SER 2 6.563 -31.876 13.516 9 H SER 3 H SER 3 4.158 -29.089 10.392 10 HA SER 3 HA SER 3 3.312 -26.467 11.281 11 HB2 SER 3 1HB SER 3 5.963 -26.895 9.889 12 HB3 SER 3 2HB SER 3 5.159 -25.329 9.995 13 HG SER 3 HG SER 3 5.841 -25.152 11.969 14 H GLY 4 H GLY 4 3.048 -24.981 9.299 15 HA2 GLY 4 1HA GLY 4 2.144 -26.615 7.008 16 HA3 GLY 4 2HA GLY 4 1.200 -25.273 7.639 17 H SER 5 H SER 5 4.698 -25.402 7.137 18 HA SER 5 HA SER 5 4.395 -23.270 5.124 19 HB2 SER 5 1HB SER 5 6.519 -22.331 5.916 20 HB3 SER 5 2HB SER 5 5.351 -22.422 7.234 21 HG SER 5 HG SER 5 7.032 -24.610 6.870 22 H SER 6 H SER 6 4.546 -24.505 3.298 23 HA SER 6 HA SER 6 6.994 -26.112 2.977 24 HB2 SER 6 1HB SER 6 5.740 -27.288 1.155 25 HB3 SER 6 2HB SER 6 5.023 -27.492 2.753 26 HG SER 6 HG SER 6 3.882 -26.535 0.567 27 H GLY 7 H GLY 7 4.735 -24.055 1.135 28 HA2 GLY 7 1HA GLY 7 6.783 -23.558 -0.874 29 HA3 GLY 7 2HA GLY 7 5.117 -23.001 -0.922 30 H THR 8 H THR 8 8.301 -22.403 0.438 31 HA THR 8 HA THR 8 7.472 -19.833 1.515 32 HB THR 8 HB THR 8 9.796 -19.628 2.299 33 HG1 THR 8 1HG THR 8 10.123 -21.777 0.572 34 HG21 THR 8 3HG2 THR 8 9.343 -20.890 4.098 35 HG22 THR 8 1HG2 THR 8 9.292 -22.377 3.151 36 HG23 THR 8 2HG2 THR 8 7.867 -21.342 3.246 37 H GLU 9 H GLU 9 7.112 -19.935 -1.222 38 HA GLU 9 HA GLU 9 9.332 -18.895 -2.665 39 HB2 GLU 9 1HB GLU 9 6.378 -19.039 -3.221 40 HB3 GLU 9 2HB GLU 9 7.481 -18.226 -4.323 41 HG2 GLU 9 1HG GLU 9 7.440 -20.288 -5.269 42 HG3 GLU 9 2HG GLU 9 8.792 -20.500 -4.158 43 H GLU 10 H GLU 10 9.569 -16.763 -3.530 44 HA GLU 10 HA GLU 10 9.456 -14.714 -1.693 45 HB2 GLU 10 1HB GLU 10 10.635 -14.918 -4.040 46 HB3 GLU 10 2HB GLU 10 9.208 -14.058 -4.599 47 HG2 GLU 10 1HG GLU 10 9.787 -12.433 -2.634 48 HG3 GLU 10 2HG GLU 10 11.394 -13.137 -2.804 49 H HIS 11 H HIS 11 7.791 -13.734 -0.775 50 HA HIS 11 HA HIS 11 5.732 -12.837 -0.408 51 HB2 HIS 11 1HB HIS 11 6.625 -11.510 -2.477 52 HB3 HIS 11 2HB HIS 11 5.396 -12.413 -3.358 53 HD2 HIS 11 2HD HIS 11 2.925 -12.162 -1.249 54 HE1 HIS 11 1HE HIS 11 3.619 -7.986 -1.534 55 HE2 HIS 11 2HE HIS 11 2.023 -9.783 -0.781 56 H VAL 12 H VAL 12 5.693 -15.544 -0.467 57 HA VAL 12 HA VAL 12 3.665 -16.524 -2.265 58 HB VAL 12 HB VAL 12 5.399 -18.055 -1.581 59 HG11 VAL 12 1HG1 VAL 12 4.770 -17.007 1.071 60 HG12 VAL 12 2HG1 VAL 12 4.951 -18.762 1.028 61 HG13 VAL 12 3HG1 VAL 12 6.259 -17.725 0.459 62 HG21 VAL 12 3HG2 VAL 12 4.078 -19.926 -1.112 63 HG22 VAL 12 1HG2 VAL 12 2.940 -18.993 -0.141 64 HG23 VAL 12 2HG2 VAL 12 2.965 -18.804 -1.894 65 H GLY 13 H GLY 13 3.704 -14.933 0.746 66 HA2 GLY 13 1HA GLY 13 1.513 -14.069 1.467 67 HA3 GLY 13 2HA GLY 13 0.877 -15.681 1.176 68 H SER 14 H SER 14 3.893 -14.778 2.794 69 HA SER 14 HA SER 14 3.117 -16.409 5.073 70 HB2 SER 14 1HB SER 14 5.416 -16.509 4.004 71 HB3 SER 14 2HB SER 14 5.716 -14.914 4.693 72 HG SER 14 HG SER 14 4.743 -16.517 6.595 73 H GLY 15 H GLY 15 1.716 -15.355 6.375 74 HA2 GLY 15 1HA GLY 15 0.778 -13.583 7.563 75 HA3 GLY 15 2HA GLY 15 2.356 -13.661 8.332 76 H LEU 16 H LEU 16 1.270 -12.498 5.144 77 HA LEU 16 HA LEU 16 2.590 -9.935 5.757 78 HB2 LEU 16 1HB LEU 16 2.580 -9.777 3.159 79 HB3 LEU 16 2HB LEU 16 3.810 -10.730 3.988 80 HG LEU 16 HG LEU 16 2.675 -12.778 3.422 81 HD11 LEU 16 1HD1 LEU 16 0.694 -12.258 1.651 82 HD12 LEU 16 2HD1 LEU 16 0.467 -10.944 2.805 83 HD13 LEU 16 3HD1 LEU 16 0.437 -12.619 3.358 84 HD21 LEU 16 3HD2 LEU 16 2.432 -11.781 0.760 85 HD22 LEU 16 1HD2 LEU 16 3.726 -12.746 1.470 86 HD23 LEU 16 2HD2 LEU 16 3.794 -10.985 1.551 87 H GLU 17 H GLU 17 -0.367 -11.366 5.417 88 HA GLU 17 HA GLU 17 -2.009 -9.944 3.850 89 HB2 GLU 17 1HB GLU 17 -3.758 -10.126 5.582 90 HB3 GLU 17 2HB GLU 17 -2.850 -11.619 5.390 91 HG2 GLU 17 1HG GLU 17 -1.479 -10.946 7.364 92 HG3 GLU 17 2HG GLU 17 -2.586 -9.595 7.598 93 H CYS 18 H CYS 18 -2.910 -7.939 3.706 94 HA CYS 18 HA CYS 18 -1.514 -5.721 4.602 95 HB2 CYS 18 1HB CYS 18 -2.909 -5.294 2.793 96 HB3 CYS 18 2HB CYS 18 -4.281 -6.118 3.526 97 HA PRO 19 HA PRO 19 -2.692 -5.508 8.871 98 HB2 PRO 19 1HB PRO 19 -1.592 -3.079 9.382 99 HB3 PRO 19 2HB PRO 19 -0.632 -4.554 9.223 100 HG2 PRO 19 1HG PRO 19 -1.140 -2.398 7.209 101 HG3 PRO 19 2HG PRO 19 0.375 -3.237 7.592 102 HD2 PRO 19 1HD PRO 19 -1.143 -3.879 5.444 103 HD3 PRO 19 2HD PRO 19 -0.180 -5.082 6.326 104 H VAL 20 H VAL 20 -3.367 -2.954 6.542 105 HA VAL 20 HA VAL 20 -5.012 -1.302 8.036 106 HB VAL 20 HB VAL 20 -5.594 -1.980 5.161 107 HG11 VAL 20 1HG1 VAL 20 -5.828 0.569 6.758 108 HG12 VAL 20 2HG1 VAL 20 -6.213 0.391 5.045 109 HG13 VAL 20 3HG1 VAL 20 -7.158 -0.474 6.257 110 HG21 VAL 20 3HG2 VAL 20 -3.116 -1.060 6.244 111 HG22 VAL 20 1HG2 VAL 20 -3.553 -1.345 4.559 112 HG23 VAL 20 2HG2 VAL 20 -3.846 0.232 5.291 113 H CYS 21 H CYS 21 -5.973 -4.097 6.043 114 HA CYS 21 HA CYS 21 -8.565 -4.109 7.430 115 HB2 CYS 21 1HB CYS 21 -9.229 -5.669 5.532 116 HB3 CYS 21 2HB CYS 21 -8.911 -3.995 5.087 117 H LYS 22 H LYS 22 -5.616 -5.813 7.066 118 HA LYS 22 HA LYS 22 -4.793 -7.704 8.026 119 HB2 LYS 22 1HB LYS 22 -7.306 -7.678 9.704 120 HB3 LYS 22 2HB LYS 22 -5.801 -8.510 10.072 121 HG2 LYS 22 1HG LYS 22 -5.691 -5.573 9.678 122 HG3 LYS 22 2HG LYS 22 -6.430 -6.185 11.160 123 HD2 LYS 22 1HD LYS 22 -4.419 -7.414 11.700 124 HD3 LYS 22 2HD LYS 22 -3.684 -6.944 10.166 125 HE2 LYS 22 1HE LYS 22 -3.302 -4.790 10.854 126 HE3 LYS 22 2HE LYS 22 -4.642 -4.804 11.999 127 HZ1 LYS 22 3HZ LYS 22 -3.379 -6.089 13.517 128 HZ2 LYS 22 1HZ LYS 22 -2.384 -4.814 13.019 129 HZ3 LYS 22 2HZ LYS 22 -2.151 -6.365 12.387 130 H GLU 23 H GLU 23 -6.242 -7.970 5.641 131 HA GLU 23 HA GLU 23 -7.759 -10.457 5.992 132 HB2 GLU 23 1HB GLU 23 -7.559 -8.539 3.668 133 HB3 GLU 23 2HB GLU 23 -8.410 -10.075 3.589 134 HG2 GLU 23 1HG GLU 23 -9.126 -8.206 5.776 135 HG3 GLU 23 2HG GLU 23 -9.645 -7.807 4.140 136 H ASP 24 H ASP 24 -5.974 -9.438 3.132 137 HA ASP 24 HA ASP 24 -3.690 -10.988 3.399 138 HB2 ASP 24 1HB ASP 24 -4.294 -12.933 1.922 139 HB3 ASP 24 2HB ASP 24 -5.045 -12.960 3.515 140 H TYR 25 H TYR 25 -2.686 -11.510 1.195 141 HA TYR 25 HA TYR 25 -3.288 -9.263 -0.591 142 HB2 TYR 25 1HB TYR 25 -0.816 -10.943 -0.187 143 HB3 TYR 25 2HB TYR 25 -0.994 -9.840 -1.548 144 HD1 TYR 25 1HD TYR 25 -2.358 -7.557 -0.245 145 HD2 TYR 25 2HD TYR 25 0.871 -9.976 1.105 146 HE1 TYR 25 1HE TYR 25 -1.558 -5.698 1.153 147 HE2 TYR 25 2HE TYR 25 1.679 -8.124 2.508 148 HH TYR 25 HH TYR 25 0.662 -6.064 3.603 149 H ALA 26 H ALA 26 -2.287 -9.980 -2.948 150 HA ALA 26 HA ALA 26 -3.007 -12.597 -3.809 151 HB1 ALA 26 3HB ALA 26 -4.849 -10.463 -4.837 152 HB2 ALA 26 1HB ALA 26 -5.001 -12.215 -4.970 153 HB3 ALA 26 2HB ALA 26 -5.244 -11.423 -3.412 154 H LEU 27 H LEU 27 -1.958 -13.050 -5.651 155 HA LEU 27 HA LEU 27 0.008 -11.598 -6.759 156 HB2 LEU 27 1HB LEU 27 -1.899 -13.403 -8.236 157 HB3 LEU 27 2HB LEU 27 -0.359 -12.839 -8.881 158 HG LEU 27 HG LEU 27 -0.605 -14.497 -6.376 159 HD11 LEU 27 1HD1 LEU 27 -1.050 -15.310 -9.047 160 HD12 LEU 27 2HD1 LEU 27 -0.915 -16.314 -7.604 161 HD13 LEU 27 3HD1 LEU 27 0.522 -15.939 -8.554 162 HD21 LEU 27 3HD2 LEU 27 1.447 -13.028 -6.880 163 HD22 LEU 27 1HD2 LEU 27 1.791 -14.200 -8.152 164 HD23 LEU 27 2HD2 LEU 27 1.710 -14.723 -6.469 165 H GLY 28 H GLY 28 -3.368 -11.518 -7.896 166 HA2 GLY 28 1HA GLY 28 -2.855 -9.451 -9.813 167 HA3 GLY 28 2HA GLY 28 -4.433 -10.049 -9.322 168 H GLU 29 H GLU 29 -3.806 -9.514 -6.461 169 HA GLU 29 HA GLU 29 -4.910 -6.918 -6.313 170 HB2 GLU 29 1HB GLU 29 -3.791 -8.850 -4.320 171 HB3 GLU 29 2HB GLU 29 -4.133 -7.200 -3.819 172 HG2 GLU 29 1HG GLU 29 -6.438 -7.431 -4.332 173 HG3 GLU 29 2HG GLU 29 -6.166 -8.972 -5.143 174 H SER 30 H SER 30 -3.926 -5.044 -6.620 175 HA SER 30 HA SER 30 -1.113 -4.792 -6.857 176 HB2 SER 30 1HB SER 30 -2.809 -3.354 -8.033 177 HB3 SER 30 2HB SER 30 -3.117 -2.554 -6.492 178 HG SER 30 HG SER 30 -1.584 -1.312 -7.358 179 H VAL 31 H VAL 31 0.158 -5.072 -5.133 180 HA VAL 31 HA VAL 31 -0.629 -3.880 -2.568 181 HB VAL 31 HB VAL 31 1.550 -5.246 -1.881 182 HG11 VAL 31 1HG1 VAL 31 0.070 -7.147 -1.325 183 HG12 VAL 31 2HG1 VAL 31 -0.636 -5.584 -0.910 184 HG13 VAL 31 3HG1 VAL 31 -1.178 -6.442 -2.352 185 HG21 VAL 31 3HG2 VAL 31 1.981 -5.904 -4.247 186 HG22 VAL 31 1HG2 VAL 31 1.830 -7.267 -3.138 187 HG23 VAL 31 2HG2 VAL 31 0.491 -6.847 -4.206 188 H ARG 32 H ARG 32 0.837 -2.604 -1.370 189 HA ARG 32 HA ARG 32 3.031 -1.438 -2.954 190 HB2 ARG 32 1HB ARG 32 1.614 0.359 -2.951 191 HB3 ARG 32 2HB ARG 32 0.821 -0.133 -1.460 192 HG2 ARG 32 1HG ARG 32 2.297 0.973 -0.143 193 HG3 ARG 32 2HG ARG 32 3.642 0.734 -1.260 194 HD2 ARG 32 1HD ARG 32 2.657 2.411 -2.769 195 HD3 ARG 32 2HD ARG 32 1.354 2.668 -1.610 196 HE ARG 32 HE ARG 32 3.532 3.149 -0.120 197 HH11 ARG 32 1HH1 ARG 32 2.571 4.275 -3.271 198 HH12 ARG 32 2HH1 ARG 32 3.391 5.794 -3.122 199 HH21 ARG 32 1HH2 ARG 32 4.615 5.146 0.088 200 HH22 ARG 32 2HH2 ARG 32 4.553 6.288 -1.211 201 H GLN 33 H GLN 33 4.964 -1.235 -1.966 202 HA GLN 33 HA GLN 33 5.150 -2.205 0.796 203 HB2 GLN 33 1HB GLN 33 6.448 -3.357 -1.021 204 HB3 GLN 33 2HB GLN 33 7.382 -1.879 -1.213 205 HG2 GLN 33 1HG GLN 33 8.561 -2.209 0.684 206 HG3 GLN 33 2HG GLN 33 7.214 -2.984 1.518 207 HE21 GLN 33 1HE2 GLN 33 8.715 -4.562 2.253 208 HE22 GLN 33 2HE2 GLN 33 9.213 -5.852 1.217 209 H LEU 34 H LEU 34 6.111 -1.032 2.402 210 HA LEU 34 HA LEU 34 6.553 1.803 1.815 211 HB2 LEU 34 1HB LEU 34 5.901 0.265 4.299 212 HB3 LEU 34 2HB LEU 34 6.579 1.889 4.403 213 HG LEU 34 HG LEU 34 3.920 1.050 3.273 214 HD11 LEU 34 1HD1 LEU 34 2.995 2.406 4.954 215 HD12 LEU 34 2HD1 LEU 34 4.544 3.172 5.305 216 HD13 LEU 34 3HD1 LEU 34 4.274 1.487 5.750 217 HD21 LEU 34 3HD2 LEU 34 3.928 3.745 3.037 218 HD22 LEU 34 1HD2 LEU 34 4.264 2.631 1.711 219 HD23 LEU 34 2HD2 LEU 34 5.596 3.370 2.600 220 HA PRO 35 HA PRO 35 10.886 1.711 2.496 221 HB2 PRO 35 1HB PRO 35 11.309 3.991 3.908 222 HB3 PRO 35 2HB PRO 35 10.889 3.988 2.191 223 HG2 PRO 35 1HG PRO 35 9.130 4.441 4.570 224 HG3 PRO 35 2HG PRO 35 9.170 5.313 3.027 225 HD2 PRO 35 1HD PRO 35 7.320 3.415 3.580 226 HD3 PRO 35 2HD PRO 35 7.935 3.699 1.939 227 H CYS 36 H CYS 36 8.792 1.017 4.899 228 HA CYS 36 HA CYS 36 10.913 0.753 6.928 229 HB2 CYS 36 1HB CYS 36 8.935 0.543 8.540 230 HB3 CYS 36 2HB CYS 36 9.252 2.139 7.866 231 H ASN 37 H ASN 37 9.850 -1.020 4.616 232 HA ASN 37 HA ASN 37 9.811 -3.267 4.232 233 HB2 ASN 37 1HB ASN 37 10.119 -3.940 7.124 234 HB3 ASN 37 2HB ASN 37 10.850 -4.698 5.711 235 HD21 ASN 37 1HD2 ASN 37 11.212 -2.412 8.199 236 HD22 ASN 37 2HD2 ASN 37 12.765 -1.809 7.741 237 H HIS 38 H HIS 38 7.446 -1.746 4.849 238 HA HIS 38 HA HIS 38 5.736 -3.923 5.853 239 HB2 HIS 38 1HB HIS 38 5.529 -0.963 6.397 240 HB3 HIS 38 2HB HIS 38 4.179 -2.067 6.646 241 HD2 HIS 38 2HD HIS 38 5.700 -4.476 8.206 242 HE1 HIS 38 1HE HIS 38 6.994 -1.435 10.866 243 HE2 HIS 38 2HE HIS 38 6.752 -3.915 10.501 244 H LEU 39 H LEU 39 4.280 -4.605 4.431 245 HA LEU 39 HA LEU 39 3.794 -2.998 2.036 246 HB2 LEU 39 1HB LEU 39 3.504 -5.892 2.716 247 HB3 LEU 39 2HB LEU 39 2.594 -5.216 1.367 248 HG LEU 39 HG LEU 39 5.544 -4.792 1.462 249 HD11 LEU 39 1HD1 LEU 39 6.099 -6.925 1.216 250 HD12 LEU 39 2HD1 LEU 39 4.876 -7.156 -0.032 251 HD13 LEU 39 3HD1 LEU 39 4.449 -7.355 1.667 252 HD21 LEU 39 3HD2 LEU 39 3.475 -5.152 -0.698 253 HD22 LEU 39 1HD2 LEU 39 5.209 -5.051 -1.007 254 HD23 LEU 39 2HD2 LEU 39 4.361 -3.684 -0.284 255 H PHE 40 H PHE 40 1.633 -2.775 1.190 256 HA PHE 40 HA PHE 40 -0.614 -3.332 2.906 257 HB2 PHE 40 1HB PHE 40 0.034 -0.443 2.301 258 HB3 PHE 40 2HB PHE 40 -1.309 -1.050 3.264 259 HD1 PHE 40 2HD PHE 40 2.402 -0.927 3.152 260 HD2 PHE 40 1HD PHE 40 -1.089 -1.285 5.561 261 HE1 PHE 40 2HE PHE 40 3.787 -0.760 5.178 262 HE2 PHE 40 1HE PHE 40 0.291 -1.117 7.591 263 HZ PHE 40 HZ PHE 40 2.733 -0.856 7.401 264 H HIS 41 H HIS 41 -2.574 -3.243 1.834 265 HA HIS 41 HA HIS 41 -2.621 -3.694 -0.889 266 HB2 HIS 41 1HB HIS 41 -4.761 -2.779 1.020 267 HB3 HIS 41 2HB HIS 41 -5.108 -3.059 -0.683 268 HD2 HIS 41 2HD HIS 41 -3.650 -5.883 -1.174 269 HE1 HIS 41 1HE HIS 41 -5.811 -7.223 2.222 270 HE2 HIS 41 2HE HIS 41 -4.447 -7.911 0.220 271 H ASP 42 H ASP 42 -2.715 -2.470 -2.683 272 HA ASP 42 HA ASP 42 -1.948 0.218 -2.635 273 HB2 ASP 42 1HB ASP 42 -1.550 -1.141 -4.593 274 HB3 ASP 42 2HB ASP 42 -3.278 -1.393 -4.821 275 H SER 43 H SER 43 -4.921 -1.119 -1.893 276 HA SER 43 HA SER 43 -6.355 1.360 -2.576 277 HB2 SER 43 1HB SER 43 -7.422 -0.553 -3.573 278 HB3 SER 43 2HB SER 43 -7.381 -1.436 -2.048 279 HG SER 43 HG SER 43 -9.419 -0.600 -2.256 280 H CYS 44 H CYS 44 -4.887 -0.221 -0.048 281 HA CYS 44 HA CYS 44 -6.706 0.912 1.963 282 HB2 CYS 44 1HB CYS 44 -4.568 -1.212 2.146 283 HB3 CYS 44 2HB CYS 44 -5.342 -0.510 3.563 284 H ILE 45 H ILE 45 -3.403 0.967 0.789 285 HA ILE 45 HA ILE 45 -2.550 2.805 2.868 286 HB ILE 45 HB ILE 45 -1.139 0.941 1.640 287 HG12 ILE 45 1HG1 ILE 45 0.884 2.109 2.300 288 HG13 ILE 45 2HG1 ILE 45 0.046 3.657 2.252 289 HG21 ILE 45 1HG2 ILE 45 -1.445 1.833 -0.600 290 HG22 ILE 45 2HG2 ILE 45 -0.709 3.358 -0.110 291 HG23 ILE 45 3HG2 ILE 45 0.257 1.883 -0.143 292 HD11 ILE 45 3HD1 ILE 45 -0.907 1.492 4.072 293 HD12 ILE 45 1HD1 ILE 45 0.468 2.502 4.521 294 HD13 ILE 45 2HD1 ILE 45 -1.103 3.240 4.206 295 H VAL 46 H VAL 46 -3.046 2.843 -0.647 296 HA VAL 46 HA VAL 46 -2.217 5.322 -1.359 297 HB VAL 46 HB VAL 46 -4.483 3.632 -2.262 298 HG11 VAL 46 1HG1 VAL 46 -4.935 5.504 -4.004 299 HG12 VAL 46 2HG1 VAL 46 -5.710 5.587 -2.421 300 HG13 VAL 46 3HG1 VAL 46 -4.288 6.573 -2.761 301 HG21 VAL 46 3HG2 VAL 46 -1.932 3.780 -3.006 302 HG22 VAL 46 1HG2 VAL 46 -3.220 3.356 -4.134 303 HG23 VAL 46 2HG2 VAL 46 -2.593 5.004 -4.090 304 HA PRO 47 HA PRO 47 -6.342 7.369 0.113 305 HB2 PRO 47 1HB PRO 47 -7.986 5.870 1.670 306 HB3 PRO 47 2HB PRO 47 -8.098 5.902 -0.094 307 HG2 PRO 47 1HG PRO 47 -6.790 3.880 1.685 308 HG3 PRO 47 2HG PRO 47 -7.803 3.621 0.253 309 HD2 PRO 47 1HD PRO 47 -5.101 3.463 0.174 310 HD3 PRO 47 2HD PRO 47 -6.065 4.028 -1.205 311 H TRP 48 H TRP 48 -4.366 5.337 2.049 312 HA TRP 48 HA TRP 48 -4.996 6.643 4.551 313 HB2 TRP 48 1HB TRP 48 -4.372 4.290 4.581 314 HB3 TRP 48 2HB TRP 48 -2.828 4.662 3.820 315 HD1 TRP 48 HD TRP 48 -0.864 5.399 5.372 316 HE1 TRP 48 1HE TRP 48 -0.594 5.647 7.919 317 HE3 TRP 48 3HE TRP 48 -5.769 4.987 6.751 318 HZ2 TRP 48 2HZ TRP 48 -2.243 5.664 10.211 319 HZ3 TRP 48 3HZ TRP 48 -6.339 5.129 9.141 320 HH2 TRP 48 HH TRP 48 -4.610 5.460 10.833 321 H LEU 49 H LEU 49 -2.014 6.334 2.609 322 HA LEU 49 HA LEU 49 -0.515 8.243 3.957 323 HB2 LEU 49 1HB LEU 49 -0.321 7.797 0.994 324 HB3 LEU 49 2HB LEU 49 0.963 8.226 2.122 325 HG LEU 49 HG LEU 49 -0.424 5.551 1.942 326 HD11 LEU 49 1HD1 LEU 49 2.210 6.590 0.964 327 HD12 LEU 49 2HD1 LEU 49 0.994 5.647 0.103 328 HD13 LEU 49 3HD1 LEU 49 1.987 4.881 1.343 329 HD21 LEU 49 3HD2 LEU 49 0.811 4.819 3.734 330 HD22 LEU 49 1HD2 LEU 49 0.469 6.479 4.223 331 HD23 LEU 49 2HD2 LEU 49 2.042 6.068 3.538 332 H GLU 50 H GLU 50 -2.977 8.629 1.510 333 HA GLU 50 HA GLU 50 -2.390 11.353 0.899 334 HB2 GLU 50 1HB GLU 50 -4.835 9.642 0.454 335 HB3 GLU 50 2HB GLU 50 -4.732 11.316 -0.074 336 HG2 GLU 50 1HG GLU 50 -2.852 9.129 -0.931 337 HG3 GLU 50 2HG GLU 50 -4.241 9.690 -1.860 338 H GLN 51 H GLN 51 -3.314 10.079 3.721 339 HA GLN 51 HA GLN 51 -4.799 12.500 4.485 340 HB2 GLN 51 1HB GLN 51 -5.440 9.636 5.083 341 HB3 GLN 51 2HB GLN 51 -5.898 10.890 6.228 342 HG2 GLN 51 1HG GLN 51 -6.898 11.999 4.042 343 HG3 GLN 51 2HG GLN 51 -6.943 10.317 3.516 344 HE21 GLN 51 1HE2 GLN 51 -8.621 12.701 5.063 345 HE22 GLN 51 2HE2 GLN 51 -9.769 11.732 5.915 346 H HIS 52 H HIS 52 -2.705 9.849 5.503 347 HA HIS 52 HA HIS 52 -1.876 11.460 7.824 348 HB2 HIS 52 1HB HIS 52 -1.373 8.509 7.452 349 HB3 HIS 52 2HB HIS 52 -1.246 9.450 8.935 350 HD2 HIS 52 2HD HIS 52 -4.061 7.962 6.630 351 HE1 HIS 52 1HE HIS 52 -5.721 8.927 10.414 352 HE2 HIS 52 2HE HIS 52 -6.108 7.785 8.202 353 H ASP 53 H ASP 53 -0.811 9.847 4.932 354 HA ASP 53 HA ASP 53 1.161 9.845 3.800 355 HB2 ASP 53 1HB ASP 53 1.484 12.323 5.482 356 HB3 ASP 53 2HB ASP 53 2.731 11.805 4.352 357 H SER 54 H SER 54 0.947 8.185 6.099 358 HA SER 54 HA SER 54 3.763 7.706 6.570 359 HB2 SER 54 1HB SER 54 1.945 8.007 8.964 360 HB3 SER 54 2HB SER 54 3.695 7.790 8.956 361 HG SER 54 HG SER 54 3.947 9.855 8.616 362 H CYS 55 H CYS 55 3.851 5.741 8.270 363 HA CYS 55 HA CYS 55 2.323 3.641 6.993 364 HB2 CYS 55 1HB CYS 55 4.732 3.353 7.471 365 HB3 CYS 55 2HB CYS 55 4.392 3.473 9.194 366 HA PRO 56 HA PRO 56 -0.843 3.715 10.111 367 HB2 PRO 56 1HB PRO 56 -2.180 1.524 9.224 368 HB3 PRO 56 2HB PRO 56 -2.286 3.101 8.432 369 HG2 PRO 56 1HG PRO 56 -0.627 0.720 7.698 370 HG3 PRO 56 2HG PRO 56 -1.564 1.797 6.647 371 HD2 PRO 56 1HD PRO 56 1.119 2.018 6.938 372 HD3 PRO 56 2HD PRO 56 0.072 3.420 6.640 373 H VAL 57 H VAL 57 1.749 1.714 9.928 374 HA VAL 57 HA VAL 57 0.808 0.006 12.140 375 HB VAL 57 HB VAL 57 3.015 -0.523 10.146 376 HG11 VAL 57 1HG1 VAL 57 3.374 -1.314 12.550 377 HG12 VAL 57 2HG1 VAL 57 2.046 -2.435 12.248 378 HG13 VAL 57 3HG1 VAL 57 3.511 -2.517 11.269 379 HG21 VAL 57 3HG2 VAL 57 0.352 -0.854 9.773 380 HG22 VAL 57 1HG2 VAL 57 1.593 -1.843 9.004 381 HG23 VAL 57 2HG2 VAL 57 0.787 -2.416 10.464 382 H CYS 58 H CYS 58 3.834 1.421 10.879 383 HA CYS 58 HA CYS 58 4.692 1.836 13.666 384 HB2 CYS 58 1HB CYS 58 6.972 1.749 12.890 385 HB3 CYS 58 2HB CYS 58 6.121 0.338 12.269 386 H ARG 59 H ARG 59 3.610 3.415 10.906 387 HA ARG 59 HA ARG 59 3.514 5.592 10.248 388 HB2 ARG 59 1HB ARG 59 4.130 6.204 13.141 389 HB3 ARG 59 2HB ARG 59 3.314 7.250 11.987 390 HG2 ARG 59 1HG ARG 59 2.118 4.591 12.543 391 HG3 ARG 59 2HG ARG 59 1.985 5.845 13.778 392 HD2 ARG 59 1HD ARG 59 1.305 6.497 10.947 393 HD3 ARG 59 2HD ARG 59 0.150 5.592 11.925 394 HE ARG 59 HE ARG 59 1.012 7.855 13.355 395 HH11 ARG 59 1HH1 ARG 59 -0.930 6.985 10.599 396 HH12 ARG 59 2HH1 ARG 59 -1.969 8.365 10.731 397 HH21 ARG 59 1HH2 ARG 59 -0.349 9.677 13.538 398 HH22 ARG 59 2HH2 ARG 59 -1.637 9.896 12.402 399 H LYS 60 H LYS 60 5.952 4.407 9.751 400 HA LYS 60 HA LYS 60 8.132 5.998 10.687 401 HB2 LYS 60 1HB LYS 60 7.768 3.823 8.686 402 HB3 LYS 60 2HB LYS 60 9.195 4.839 8.535 403 HG2 LYS 60 1HG LYS 60 8.566 3.690 11.201 404 HG3 LYS 60 2HG LYS 60 9.217 2.623 9.954 405 HD2 LYS 60 1HD LYS 60 11.243 3.684 9.912 406 HD3 LYS 60 2HD LYS 60 10.560 5.240 10.394 407 HE2 LYS 60 1HE LYS 60 10.482 4.636 12.651 408 HE3 LYS 60 2HE LYS 60 10.630 2.917 12.290 409 HZ1 LYS 60 3HZ LYS 60 12.828 3.056 12.386 410 HZ2 LYS 60 1HZ LYS 60 12.660 4.630 12.984 411 HZ3 LYS 60 2HZ LYS 60 12.875 4.373 11.326 412 H SER 61 H SER 61 8.169 8.105 10.194 413 HA SER 61 HA SER 61 6.989 9.564 8.305 414 HB2 SER 61 1HB SER 61 8.313 10.894 9.625 415 HB3 SER 61 2HB SER 61 9.682 9.785 9.556 416 HG SER 61 HG SER 61 10.446 10.972 8.016 417 H LEU 62 H LEU 62 6.700 9.273 6.204 418 HA LEU 62 HA LEU 62 8.662 7.831 4.624 419 HB2 LEU 62 1HB LEU 62 6.061 9.041 3.709 420 HB3 LEU 62 2HB LEU 62 7.015 7.806 2.889 421 HG LEU 62 HG LEU 62 5.591 7.414 5.520 422 HD11 LEU 62 1HD1 LEU 62 4.803 6.327 2.829 423 HD12 LEU 62 2HD1 LEU 62 4.108 7.792 3.520 424 HD13 LEU 62 3HD1 LEU 62 3.903 6.246 4.343 425 HD21 LEU 62 3HD2 LEU 62 5.991 4.974 4.813 426 HD22 LEU 62 1HD2 LEU 62 7.346 5.884 5.480 427 HD23 LEU 62 2HD2 LEU 62 7.222 5.638 3.738 428 H THR 63 H THR 63 8.141 11.004 5.487 429 HA THR 63 HA THR 63 9.008 12.168 2.967 430 HB THR 63 HB THR 63 7.321 13.385 4.229 431 HG1 THR 63 1HG THR 63 9.686 14.906 4.529 432 HG21 THR 63 3HG2 THR 63 7.980 12.615 6.480 433 HG22 THR 63 1HG2 THR 63 7.794 14.367 6.401 434 HG23 THR 63 2HG2 THR 63 9.406 13.650 6.399 435 H GLY 64 H GLY 64 10.212 11.810 6.290 436 HA2 GLY 64 1HA GLY 64 12.326 11.989 7.165 437 HA3 GLY 64 2HA GLY 64 12.874 11.424 5.594 438 H GLN 65 H GLN 65 13.686 12.874 4.112 439 HA GLN 65 HA GLN 65 14.674 15.336 5.203 440 HB2 GLN 65 1HB GLN 65 15.762 13.695 3.462 441 HB3 GLN 65 2HB GLN 65 14.869 14.661 2.295 442 HG2 GLN 65 1HG GLN 65 15.992 16.664 3.541 443 HG3 GLN 65 2HG GLN 65 17.146 15.432 4.049 444 HE21 GLN 65 1HE2 GLN 65 16.626 17.741 1.832 445 HE22 GLN 65 2HE2 GLN 65 17.554 17.120 0.513 446 H ASN 66 H ASN 66 14.142 17.421 4.644 447 HA ASN 66 HA ASN 66 11.485 17.993 4.027 448 HB2 ASN 66 1HB ASN 66 13.706 19.949 3.489 449 HB3 ASN 66 2HB ASN 66 12.084 20.264 4.099 450 HD21 ASN 66 1HD2 ASN 66 14.375 21.265 5.299 451 HD22 ASN 66 2HD2 ASN 66 14.553 20.536 6.855 452 H THR 67 H THR 67 11.098 16.684 2.134 453 HA THR 67 HA THR 67 11.124 18.185 -0.260 454 HB THR 67 HB THR 67 13.477 17.540 -0.367 455 HG1 THR 67 1HG THR 67 11.618 16.492 -2.191 456 HG21 THR 67 3HG2 THR 67 12.458 15.025 0.581 457 HG22 THR 67 1HG2 THR 67 14.128 15.580 0.471 458 HG23 THR 67 2HG2 THR 67 13.371 14.785 -0.909 459 H ALA 68 H ALA 68 9.595 17.445 -1.642 460 HA ALA 68 HA ALA 68 8.585 14.711 -1.259 461 HB1 ALA 68 3HB ALA 68 7.106 17.260 -0.968 462 HB2 ALA 68 1HB ALA 68 6.276 15.933 -1.783 463 HB3 ALA 68 2HB ALA 68 6.885 15.717 -0.142 464 H THR 69 H THR 69 7.350 13.887 -3.078 465 HA THR 69 HA THR 69 7.944 15.264 -5.613 466 HB THR 69 HB THR 69 9.515 13.449 -5.459 467 HG1 THR 69 1HG THR 69 8.432 12.035 -7.207 468 HG21 THR 69 3HG2 THR 69 7.597 11.249 -5.438 469 HG22 THR 69 1HG2 THR 69 7.601 12.179 -3.940 470 HG23 THR 69 2HG2 THR 69 9.095 11.451 -4.530 471 H ASN 70 H ASN 70 5.822 13.144 -3.799 472 HA ASN 70 HA ASN 70 3.718 13.649 -5.795 473 HB2 ASN 70 1HB ASN 70 2.836 11.425 -5.474 474 HB3 ASN 70 2HB ASN 70 4.541 11.293 -5.892 475 HD21 ASN 70 1HD2 ASN 70 6.054 10.987 -4.113 476 HD22 ASN 70 2HD2 ASN 70 5.543 10.083 -2.732 477 HA PRO 71 HA PRO 71 2.323 15.260 -1.714 478 HB2 PRO 71 1HB PRO 71 1.022 17.397 -2.767 479 HB3 PRO 71 2HB PRO 71 2.752 17.408 -2.405 480 HG2 PRO 71 1HG PRO 71 1.368 16.982 -5.025 481 HG3 PRO 71 2HG PRO 71 2.807 17.953 -4.665 482 HD2 PRO 71 1HD PRO 71 2.954 15.480 -5.758 483 HD3 PRO 71 2HD PRO 71 4.200 16.116 -4.666 484 HA PRO 72 HA PRO 72 -1.673 13.399 -2.003 485 HB2 PRO 72 1HB PRO 72 -2.760 14.410 0.270 486 HB3 PRO 72 2HB PRO 72 -1.542 13.129 0.275 487 HG2 PRO 72 1HG PRO 72 -1.203 16.068 0.735 488 HG3 PRO 72 2HG PRO 72 -0.477 14.707 1.611 489 HD2 PRO 72 1HD PRO 72 0.868 16.111 -0.274 490 HD3 PRO 72 2HD PRO 72 1.148 14.381 0.009 491 H GLY 73 H GLY 73 -3.679 13.885 -2.781 492 HA2 GLY 73 1HA GLY 73 -4.337 16.757 -3.033 493 HA3 GLY 73 2HA GLY 73 -4.621 15.598 -4.323 494 H LEU 74 H LEU 74 -6.763 16.931 -3.794 495 HA LEU 74 HA LEU 74 -8.310 15.624 -1.697 496 HB2 LEU 74 1HB LEU 74 -8.624 18.050 -3.375 497 HB3 LEU 74 2HB LEU 74 -10.093 17.257 -2.808 498 HG LEU 74 HG LEU 74 -9.408 19.124 -1.364 499 HD11 LEU 74 1HD1 LEU 74 -9.574 17.945 0.751 500 HD12 LEU 74 2HD1 LEU 74 -9.146 16.428 -0.040 501 HD13 LEU 74 3HD1 LEU 74 -10.663 17.233 -0.439 502 HD21 LEU 74 3HD2 LEU 74 -7.289 19.451 -0.798 503 HD22 LEU 74 1HD2 LEU 74 -6.838 18.013 -1.713 504 HD23 LEU 74 2HD2 LEU 74 -7.232 17.879 0.001 505 H THR 75 H THR 75 -8.475 16.139 -5.211 506 HA THR 75 HA THR 75 -10.678 14.303 -5.503 507 HB THR 75 HB THR 75 -10.526 16.206 -7.015 508 HG1 THR 75 1HG THR 75 -10.972 15.054 -8.862 509 HG21 THR 75 3HG2 THR 75 -8.699 16.786 -8.209 510 HG22 THR 75 1HG2 THR 75 -8.278 15.113 -8.573 511 HG23 THR 75 2HG2 THR 75 -7.844 15.813 -7.013 512 H GLY 76 H GLY 76 -7.199 14.206 -5.801 513 HA2 GLY 76 1HA GLY 76 -6.887 11.908 -7.356 514 HA3 GLY 76 2HA GLY 76 -5.746 12.463 -6.140 515 H VAL 77 H VAL 77 -7.384 12.225 -3.865 516 HA VAL 77 HA VAL 77 -6.872 9.821 -2.832 517 HB VAL 77 HB VAL 77 -9.490 11.278 -2.440 518 HG11 VAL 77 1HG1 VAL 77 -8.877 10.021 -0.079 519 HG12 VAL 77 2HG1 VAL 77 -10.059 9.463 -1.264 520 HG13 VAL 77 3HG1 VAL 77 -8.415 8.823 -1.288 521 HG21 VAL 77 3HG2 VAL 77 -6.809 11.496 -1.088 522 HG22 VAL 77 1HG2 VAL 77 -7.713 12.758 -1.924 523 HG23 VAL 77 2HG2 VAL 77 -8.297 12.129 -0.383 524 H GLY 78 H GLY 78 -7.522 7.739 -2.965 525 HA2 GLY 78 1HA GLY 78 -9.525 7.125 -5.036 526 HA3 GLY 78 2HA GLY 78 -8.236 6.047 -4.521 Start of MODEL 7 1 H1 GLY 1 H GLY 1 7.072 -28.451 -7.406 2 HA2 GLY 1 1HA GLY 1 5.439 -27.586 -5.762 3 HA3 GLY 1 2HA GLY 1 6.410 -28.871 -5.061 4 H SER 2 H SER 2 5.140 -26.029 -4.321 5 HA SER 2 HA SER 2 7.477 -25.022 -2.855 6 HB2 SER 2 1HB SER 2 6.207 -23.432 -4.313 7 HB3 SER 2 2HB SER 2 4.802 -23.667 -3.272 8 HG SER 2 HG SER 2 6.239 -22.962 -1.519 9 H SER 3 H SER 3 7.629 -26.109 -0.978 10 HA SER 3 HA SER 3 5.213 -26.627 0.586 11 HB2 SER 3 1HB SER 3 8.023 -27.681 0.660 12 HB3 SER 3 2HB SER 3 6.986 -27.839 2.077 13 HG SER 3 HG SER 3 7.029 -29.375 -0.059 14 H GLY 4 H GLY 4 5.908 -23.938 0.397 15 HA2 GLY 4 1HA GLY 4 6.452 -22.077 1.646 16 HA3 GLY 4 2HA GLY 4 5.714 -22.998 2.948 17 H SER 5 H SER 5 8.798 -22.741 1.183 18 HA SER 5 HA SER 5 10.216 -23.560 3.606 19 HB2 SER 5 1HB SER 5 12.198 -23.712 2.133 20 HB3 SER 5 2HB SER 5 10.855 -24.683 1.529 21 HG SER 5 HG SER 5 12.156 -22.998 0.138 22 H SER 6 H SER 6 12.260 -22.368 4.120 23 HA SER 6 HA SER 6 11.679 -19.643 4.609 24 HB2 SER 6 1HB SER 6 13.884 -19.530 5.614 25 HB3 SER 6 2HB SER 6 13.130 -21.060 6.062 26 HG SER 6 HG SER 6 14.329 -21.897 4.138 27 H GLY 7 H GLY 7 13.365 -17.896 4.067 28 HA2 GLY 7 1HA GLY 7 14.963 -17.080 2.438 29 HA3 GLY 7 2HA GLY 7 14.255 -18.186 1.270 30 H THR 8 H THR 8 12.632 -17.494 -0.007 31 HA THR 8 HA THR 8 10.894 -15.344 0.668 32 HB THR 8 HB THR 8 12.829 -13.956 0.202 33 HG1 THR 8 1HG THR 8 11.105 -12.888 -0.545 34 HG21 THR 8 3HG2 THR 8 14.101 -15.487 -1.198 35 HG22 THR 8 1HG2 THR 8 13.876 -13.949 -2.029 36 HG23 THR 8 2HG2 THR 8 12.898 -15.346 -2.479 37 H GLU 9 H GLU 9 9.235 -15.036 -0.862 38 HA GLU 9 HA GLU 9 9.298 -16.615 -3.306 39 HB2 GLU 9 1HB GLU 9 7.406 -17.122 -1.022 40 HB3 GLU 9 2HB GLU 9 6.983 -17.544 -2.675 41 HG2 GLU 9 1HG GLU 9 9.496 -18.521 -1.359 42 HG3 GLU 9 2HG GLU 9 7.961 -19.380 -1.236 43 H GLU 10 H GLU 10 7.292 -16.241 -4.628 44 HA GLU 10 HA GLU 10 6.827 -13.447 -4.849 45 HB2 GLU 10 1HB GLU 10 5.569 -15.826 -6.216 46 HB3 GLU 10 2HB GLU 10 5.154 -14.163 -6.608 47 HG2 GLU 10 1HG GLU 10 6.723 -14.684 -8.210 48 HG3 GLU 10 2HG GLU 10 7.686 -13.860 -6.986 49 H HIS 11 H HIS 11 6.027 -13.149 -2.616 50 HA HIS 11 HA HIS 11 4.383 -12.837 -1.065 51 HB2 HIS 11 1HB HIS 11 3.125 -12.311 -3.708 52 HB3 HIS 11 2HB HIS 11 2.053 -12.425 -2.316 53 HD2 HIS 11 2HD HIS 11 1.503 -9.707 -2.233 54 HE1 HIS 11 1HE HIS 11 5.490 -8.455 -1.499 55 HE2 HIS 11 2HE HIS 11 3.066 -7.771 -1.526 56 H VAL 12 H VAL 12 4.961 -15.472 -1.265 57 HA VAL 12 HA VAL 12 3.014 -17.291 -1.934 58 HB VAL 12 HB VAL 12 5.178 -18.030 -1.165 59 HG11 VAL 12 1HG1 VAL 12 4.575 -17.508 1.690 60 HG12 VAL 12 2HG1 VAL 12 6.125 -17.557 0.848 61 HG13 VAL 12 3HG1 VAL 12 5.086 -16.139 0.702 62 HG21 VAL 12 3HG2 VAL 12 4.303 -19.970 -0.514 63 HG22 VAL 12 1HG2 VAL 12 3.780 -19.281 1.022 64 HG23 VAL 12 2HG2 VAL 12 2.741 -19.159 -0.398 65 H GLY 13 H GLY 13 3.132 -15.147 0.834 66 HA2 GLY 13 1HA GLY 13 1.026 -14.435 1.805 67 HA3 GLY 13 2HA GLY 13 0.424 -16.068 1.558 68 H SER 14 H SER 14 3.504 -14.999 2.954 69 HA SER 14 HA SER 14 2.960 -16.664 5.288 70 HB2 SER 14 1HB SER 14 5.167 -16.691 3.966 71 HB3 SER 14 2HB SER 14 5.515 -15.154 4.758 72 HG SER 14 HG SER 14 6.373 -16.720 6.048 73 H GLY 15 H GLY 15 1.420 -15.366 6.348 74 HA2 GLY 15 1HA GLY 15 0.656 -13.633 7.665 75 HA3 GLY 15 2HA GLY 15 2.260 -13.747 8.374 76 H LEU 16 H LEU 16 1.140 -12.611 5.192 77 HA LEU 16 HA LEU 16 2.505 -10.060 5.747 78 HB2 LEU 16 1HB LEU 16 2.482 -9.954 3.145 79 HB3 LEU 16 2HB LEU 16 3.704 -10.904 3.988 80 HG LEU 16 HG LEU 16 2.538 -12.949 3.473 81 HD11 LEU 16 1HD1 LEU 16 0.560 -12.452 1.699 82 HD12 LEU 16 2HD1 LEU 16 0.358 -11.095 2.807 83 HD13 LEU 16 3HD1 LEU 16 0.301 -12.748 3.419 84 HD21 LEU 16 3HD2 LEU 16 3.680 -11.217 1.561 85 HD22 LEU 16 1HD2 LEU 16 2.302 -12.003 0.790 86 HD23 LEU 16 2HD2 LEU 16 3.581 -12.978 1.515 87 H GLU 17 H GLU 17 -0.473 -11.428 5.505 88 HA GLU 17 HA GLU 17 -2.103 -10.018 3.899 89 HB2 GLU 17 1HB GLU 17 -3.840 -10.130 5.658 90 HB3 GLU 17 2HB GLU 17 -2.971 -11.646 5.465 91 HG2 GLU 17 1HG GLU 17 -1.503 -10.789 7.403 92 HG3 GLU 17 2HG GLU 17 -2.827 -9.664 7.696 93 H CYS 18 H CYS 18 -2.991 -8.004 3.739 94 HA CYS 18 HA CYS 18 -1.542 -5.794 4.606 95 HB2 CYS 18 1HB CYS 18 -2.896 -5.370 2.766 96 HB3 CYS 18 2HB CYS 18 -4.296 -6.157 3.487 97 HA PRO 19 HA PRO 19 -2.792 -5.497 8.850 98 HB2 PRO 19 1HB PRO 19 -1.638 -3.091 9.350 99 HB3 PRO 19 2HB PRO 19 -0.714 -4.594 9.229 100 HG2 PRO 19 1HG PRO 19 -1.126 -2.454 7.177 101 HG3 PRO 19 2HG PRO 19 0.358 -3.327 7.601 102 HD2 PRO 19 1HD PRO 19 -1.135 -3.959 5.432 103 HD3 PRO 19 2HD PRO 19 -0.221 -5.174 6.349 104 H VAL 20 H VAL 20 -3.330 -2.930 6.493 105 HA VAL 20 HA VAL 20 -4.957 -1.215 7.916 106 HB VAL 20 HB VAL 20 -5.537 -1.948 5.055 107 HG11 VAL 20 1HG1 VAL 20 -7.056 -0.336 5.539 108 HG12 VAL 20 2HG1 VAL 20 -6.086 0.342 6.848 109 HG13 VAL 20 3HG1 VAL 20 -5.692 0.718 5.170 110 HG21 VAL 20 3HG2 VAL 20 -3.716 0.210 5.151 111 HG22 VAL 20 1HG2 VAL 20 -3.037 -1.092 6.129 112 HG23 VAL 20 2HG2 VAL 20 -3.475 -1.389 4.446 113 H CYS 21 H CYS 21 -5.951 -4.070 6.036 114 HA CYS 21 HA CYS 21 -8.563 -3.963 7.387 115 HB2 CYS 21 1HB CYS 21 -9.264 -5.542 5.521 116 HB3 CYS 21 2HB CYS 21 -8.896 -3.889 5.040 117 H LYS 22 H LYS 22 -5.666 -5.771 7.041 118 HA LYS 22 HA LYS 22 -4.894 -7.650 8.068 119 HB2 LYS 22 1HB LYS 22 -7.435 -7.551 9.701 120 HB3 LYS 22 2HB LYS 22 -5.950 -8.402 10.109 121 HG2 LYS 22 1HG LYS 22 -5.802 -5.469 9.674 122 HG3 LYS 22 2HG LYS 22 -6.549 -6.060 11.160 123 HD2 LYS 22 1HD LYS 22 -4.546 -7.308 11.709 124 HD3 LYS 22 2HD LYS 22 -3.803 -6.839 10.178 125 HE2 LYS 22 1HE LYS 22 -3.460 -4.663 10.860 126 HE3 LYS 22 2HE LYS 22 -4.758 -4.722 12.052 127 HZ1 LYS 22 3HZ LYS 22 -1.977 -5.404 12.334 128 HZ2 LYS 22 1HZ LYS 22 -3.021 -6.579 12.962 129 HZ3 LYS 22 2HZ LYS 22 -3.113 -4.983 13.515 130 H GLU 23 H GLU 23 -6.304 -7.923 5.662 131 HA GLU 23 HA GLU 23 -7.861 -10.386 6.027 132 HB2 GLU 23 1HB GLU 23 -7.637 -8.496 3.681 133 HB3 GLU 23 2HB GLU 23 -8.521 -10.015 3.632 134 HG2 GLU 23 1HG GLU 23 -9.185 -8.097 5.793 135 HG3 GLU 23 2HG GLU 23 -9.705 -7.713 4.153 136 H ASP 24 H ASP 24 -6.062 -9.396 3.164 137 HA ASP 24 HA ASP 24 -3.794 -10.972 3.445 138 HB2 ASP 24 1HB ASP 24 -4.502 -12.864 1.852 139 HB3 ASP 24 2HB ASP 24 -5.033 -12.967 3.528 140 H TYR 25 H TYR 25 -2.773 -11.491 1.258 141 HA TYR 25 HA TYR 25 -3.330 -9.235 -0.528 142 HB2 TYR 25 1HB TYR 25 -0.903 -10.965 -0.093 143 HB3 TYR 25 2HB TYR 25 -1.048 -9.907 -1.493 144 HD1 TYR 25 1HD TYR 25 -2.353 -7.542 -0.289 145 HD2 TYR 25 2HD TYR 25 0.795 -9.997 1.183 146 HE1 TYR 25 1HE TYR 25 -1.514 -5.655 1.046 147 HE2 TYR 25 2HE TYR 25 1.642 -8.117 2.523 148 HH TYR 25 HH TYR 25 0.137 -5.701 3.461 149 H ALA 26 H ALA 26 -2.355 -9.960 -2.889 150 HA ALA 26 HA ALA 26 -3.192 -12.559 -3.745 151 HB1 ALA 26 3HB ALA 26 -5.313 -11.016 -3.428 152 HB2 ALA 26 1HB ALA 26 -4.827 -10.429 -5.019 153 HB3 ALA 26 2HB ALA 26 -5.182 -12.141 -4.780 154 H LEU 27 H LEU 27 -2.098 -13.101 -5.532 155 HA LEU 27 HA LEU 27 -0.025 -11.755 -6.598 156 HB2 LEU 27 1HB LEU 27 -1.933 -13.675 -7.883 157 HB3 LEU 27 2HB LEU 27 -0.576 -13.006 -8.787 158 HG LEU 27 HG LEU 27 -0.236 -14.517 -6.204 159 HD11 LEU 27 1HD1 LEU 27 -0.299 -16.498 -7.249 160 HD12 LEU 27 2HD1 LEU 27 0.468 -15.868 -8.706 161 HD13 LEU 27 3HD1 LEU 27 -1.263 -15.646 -8.455 162 HD21 LEU 27 3HD2 LEU 27 1.972 -14.264 -6.505 163 HD22 LEU 27 1HD2 LEU 27 1.509 -12.916 -7.544 164 HD23 LEU 27 2HD2 LEU 27 1.863 -14.493 -8.251 165 H GLY 28 H GLY 28 -3.387 -11.492 -7.703 166 HA2 GLY 28 1HA GLY 28 -2.703 -9.517 -9.702 167 HA3 GLY 28 2HA GLY 28 -4.317 -10.083 -9.301 168 H GLU 29 H GLU 29 -3.676 -9.506 -6.387 169 HA GLU 29 HA GLU 29 -4.841 -6.926 -6.306 170 HB2 GLU 29 1HB GLU 29 -3.781 -8.850 -4.293 171 HB3 GLU 29 2HB GLU 29 -4.011 -7.181 -3.792 172 HG2 GLU 29 1HG GLU 29 -6.244 -8.530 -5.203 173 HG3 GLU 29 2HG GLU 29 -5.909 -8.994 -3.536 174 H SER 30 H SER 30 -3.890 -5.031 -6.589 175 HA SER 30 HA SER 30 -1.089 -4.734 -6.859 176 HB2 SER 30 1HB SER 30 -2.783 -3.298 -8.001 177 HB3 SER 30 2HB SER 30 -3.146 -2.552 -6.445 178 HG SER 30 HG SER 30 -0.661 -2.257 -6.514 179 H VAL 31 H VAL 31 0.158 -5.120 -5.120 180 HA VAL 31 HA VAL 31 -0.578 -3.940 -2.541 181 HB VAL 31 HB VAL 31 1.621 -5.304 -1.910 182 HG11 VAL 31 1HG1 VAL 31 0.206 -7.124 -1.216 183 HG12 VAL 31 2HG1 VAL 31 -0.673 -5.607 -1.017 184 HG13 VAL 31 3HG1 VAL 31 -1.029 -6.661 -2.386 185 HG21 VAL 31 3HG2 VAL 31 0.528 -6.972 -4.160 186 HG22 VAL 31 1HG2 VAL 31 1.911 -5.897 -4.365 187 HG23 VAL 31 2HG2 VAL 31 1.994 -7.231 -3.214 188 H ARG 32 H ARG 32 0.833 -2.612 -1.376 189 HA ARG 32 HA ARG 32 3.033 -1.439 -2.948 190 HB2 ARG 32 1HB ARG 32 1.602 0.346 -2.944 191 HB3 ARG 32 2HB ARG 32 0.807 -0.156 -1.458 192 HG2 ARG 32 1HG ARG 32 2.274 0.953 -0.131 193 HG3 ARG 32 2HG ARG 32 3.621 0.739 -1.251 194 HD2 ARG 32 1HD ARG 32 2.599 2.410 -2.750 195 HD3 ARG 32 2HD ARG 32 1.311 2.652 -1.571 196 HE ARG 32 HE ARG 32 3.484 3.153 -0.100 197 HH11 ARG 32 1HH1 ARG 32 2.550 4.247 -3.270 198 HH12 ARG 32 2HH1 ARG 32 3.378 5.763 -3.134 199 HH21 ARG 32 1HH2 ARG 32 4.578 5.145 0.091 200 HH22 ARG 32 2HH2 ARG 32 4.533 6.272 -1.222 201 H GLN 33 H GLN 33 4.962 -1.208 -1.956 202 HA GLN 33 HA GLN 33 5.153 -2.174 0.809 203 HB2 GLN 33 1HB GLN 33 6.451 -3.334 -1.004 204 HB3 GLN 33 2HB GLN 33 7.384 -1.856 -1.202 205 HG2 GLN 33 1HG GLN 33 8.565 -2.180 0.693 206 HG3 GLN 33 2HG GLN 33 7.216 -2.943 1.535 207 HE21 GLN 33 1HE2 GLN 33 8.726 -4.514 2.280 208 HE22 GLN 33 2HE2 GLN 33 9.211 -5.817 1.255 209 H LEU 34 H LEU 34 6.116 -0.990 2.406 210 HA LEU 34 HA LEU 34 6.557 1.841 1.798 211 HB2 LEU 34 1HB LEU 34 5.901 0.326 4.296 212 HB3 LEU 34 2HB LEU 34 6.567 1.956 4.382 213 HG LEU 34 HG LEU 34 3.920 1.087 3.248 214 HD11 LEU 34 1HD1 LEU 34 4.262 1.546 5.725 215 HD12 LEU 34 2HD1 LEU 34 2.973 2.438 4.917 216 HD13 LEU 34 3HD1 LEU 34 4.509 3.231 5.266 217 HD21 LEU 34 3HD2 LEU 34 5.583 3.411 2.566 218 HD22 LEU 34 1HD2 LEU 34 3.914 3.784 2.999 219 HD23 LEU 34 2HD2 LEU 34 4.253 2.663 1.680 220 HA PRO 35 HA PRO 35 10.887 1.746 2.494 221 HB2 PRO 35 1HB PRO 35 11.309 4.044 3.877 222 HB3 PRO 35 2HB PRO 35 10.897 4.019 2.158 223 HG2 PRO 35 1HG PRO 35 9.129 4.508 4.524 224 HG3 PRO 35 2HG PRO 35 9.177 5.359 2.969 225 HD2 PRO 35 1HD PRO 35 7.320 3.473 3.541 226 HD3 PRO 35 2HD PRO 35 7.943 3.733 1.898 227 H CYS 36 H CYS 36 8.788 1.067 4.888 228 HA CYS 36 HA CYS 36 10.890 0.855 6.942 229 HB2 CYS 36 1HB CYS 36 9.006 0.721 8.580 230 HB3 CYS 36 2HB CYS 36 9.097 2.258 7.727 231 H ASN 37 H ASN 37 9.811 -0.952 4.629 232 HA ASN 37 HA ASN 37 9.836 -3.205 4.264 233 HB2 ASN 37 1HB ASN 37 10.147 -3.860 7.157 234 HB3 ASN 37 2HB ASN 37 10.905 -4.601 5.751 235 HD21 ASN 37 1HD2 ASN 37 11.289 -2.470 8.312 236 HD22 ASN 37 2HD2 ASN 37 12.794 -1.767 7.837 237 H HIS 38 H HIS 38 7.440 -1.756 4.791 238 HA HIS 38 HA HIS 38 5.764 -3.951 5.802 239 HB2 HIS 38 1HB HIS 38 5.571 -1.017 6.449 240 HB3 HIS 38 2HB HIS 38 4.181 -2.087 6.601 241 HD2 HIS 38 2HD HIS 38 5.635 -4.615 8.076 242 HE1 HIS 38 1HE HIS 38 6.820 -1.731 10.953 243 HE2 HIS 38 2HE HIS 38 6.591 -4.186 10.441 244 H LEU 39 H LEU 39 4.280 -4.604 4.391 245 HA LEU 39 HA LEU 39 3.792 -2.964 2.017 246 HB2 LEU 39 1HB LEU 39 3.465 -5.867 2.659 247 HB3 LEU 39 2HB LEU 39 2.598 -5.155 1.300 248 HG LEU 39 HG LEU 39 5.542 -4.752 1.446 249 HD11 LEU 39 1HD1 LEU 39 4.365 -7.338 1.559 250 HD12 LEU 39 2HD1 LEU 39 6.066 -6.903 1.388 251 HD13 LEU 39 3HD1 LEU 39 5.060 -7.107 -0.046 252 HD21 LEU 39 3HD2 LEU 39 3.496 -5.133 -0.729 253 HD22 LEU 39 1HD2 LEU 39 5.233 -5.084 -1.031 254 HD23 LEU 39 2HD2 LEU 39 4.418 -3.679 -0.344 255 H PHE 40 H PHE 40 1.607 -2.793 1.163 256 HA PHE 40 HA PHE 40 -0.624 -3.342 2.892 257 HB2 PHE 40 1HB PHE 40 0.019 -0.447 2.304 258 HB3 PHE 40 2HB PHE 40 -1.321 -1.062 3.266 259 HD1 PHE 40 2HD PHE 40 2.387 -0.916 3.145 260 HD2 PHE 40 1HD PHE 40 -1.093 -1.332 5.560 261 HE1 PHE 40 2HE PHE 40 3.778 -0.762 5.169 262 HE2 PHE 40 1HE PHE 40 0.292 -1.177 7.588 263 HZ PHE 40 HZ PHE 40 2.731 -0.893 7.395 264 H HIS 41 H HIS 41 -2.591 -3.242 1.831 265 HA HIS 41 HA HIS 41 -2.653 -3.683 -0.893 266 HB2 HIS 41 1HB HIS 41 -4.778 -2.772 1.035 267 HB3 HIS 41 2HB HIS 41 -5.138 -3.031 -0.670 268 HD2 HIS 41 2HD HIS 41 -3.627 -5.859 -1.154 269 HE1 HIS 41 1HE HIS 41 -5.898 -7.222 2.160 270 HE2 HIS 41 2HE HIS 41 -4.466 -7.897 0.201 271 H ASP 42 H ASP 42 -2.757 -2.453 -2.682 272 HA ASP 42 HA ASP 42 -1.993 0.243 -2.615 273 HB2 ASP 42 1HB ASP 42 -1.555 -1.111 -4.568 274 HB3 ASP 42 2HB ASP 42 -3.278 -1.371 -4.825 275 H SER 43 H SER 43 -4.953 -1.110 -1.891 276 HA SER 43 HA SER 43 -6.408 1.348 -2.607 277 HB2 SER 43 1HB SER 43 -7.382 -0.671 -3.584 278 HB3 SER 43 2HB SER 43 -7.478 -1.417 -1.989 279 HG SER 43 HG SER 43 -8.818 0.516 -1.459 280 H CYS 44 H CYS 44 -4.950 -0.208 -0.055 281 HA CYS 44 HA CYS 44 -6.790 0.944 1.929 282 HB2 CYS 44 1HB CYS 44 -4.653 -1.177 2.192 283 HB3 CYS 44 2HB CYS 44 -5.528 -0.496 3.560 284 H ILE 45 H ILE 45 -3.473 0.951 0.796 285 HA ILE 45 HA ILE 45 -2.613 2.776 2.882 286 HB ILE 45 HB ILE 45 -1.219 0.901 1.642 287 HG12 ILE 45 1HG1 ILE 45 0.808 2.022 2.346 288 HG13 ILE 45 2HG1 ILE 45 0.008 3.589 2.288 289 HG21 ILE 45 1HG2 ILE 45 0.205 1.851 -0.115 290 HG22 ILE 45 2HG2 ILE 45 -1.493 1.823 -0.588 291 HG23 ILE 45 3HG2 ILE 45 -0.746 3.335 -0.074 292 HD11 ILE 45 3HD1 ILE 45 0.369 2.429 4.561 293 HD12 ILE 45 1HD1 ILE 45 -1.183 3.196 4.223 294 HD13 ILE 45 2HD1 ILE 45 -1.016 1.445 4.092 295 H VAL 46 H VAL 46 -3.082 2.836 -0.638 296 HA VAL 46 HA VAL 46 -2.226 5.313 -1.327 297 HB VAL 46 HB VAL 46 -4.498 3.647 -2.262 298 HG11 VAL 46 1HG1 VAL 46 -5.689 5.637 -2.400 299 HG12 VAL 46 2HG1 VAL 46 -4.251 6.586 -2.782 300 HG13 VAL 46 3HG1 VAL 46 -4.944 5.509 -3.994 301 HG21 VAL 46 3HG2 VAL 46 -2.599 4.998 -4.085 302 HG22 VAL 46 1HG2 VAL 46 -1.927 3.803 -2.976 303 HG23 VAL 46 2HG2 VAL 46 -3.204 3.341 -4.101 304 HA PRO 47 HA PRO 47 -6.350 7.385 0.111 305 HB2 PRO 47 1HB PRO 47 -8.028 5.890 1.634 306 HB3 PRO 47 2HB PRO 47 -8.117 5.936 -0.131 307 HG2 PRO 47 1HG PRO 47 -6.851 3.889 1.649 308 HG3 PRO 47 2HG PRO 47 -7.847 3.650 0.202 309 HD2 PRO 47 1HD PRO 47 -5.146 3.467 0.157 310 HD3 PRO 47 2HD PRO 47 -6.087 4.053 -1.230 311 H TRP 48 H TRP 48 -4.326 5.408 2.004 312 HA TRP 48 HA TRP 48 -5.001 6.686 4.524 313 HB2 TRP 48 1HB TRP 48 -4.439 4.344 4.629 314 HB3 TRP 48 2HB TRP 48 -2.918 4.623 3.786 315 HD1 TRP 48 HD TRP 48 -0.855 5.378 5.215 316 HE1 TRP 48 1HE TRP 48 -0.450 5.650 7.742 317 HE3 TRP 48 3HE TRP 48 -5.689 5.063 6.851 318 HZ2 TRP 48 2HZ TRP 48 -1.976 5.722 10.115 319 HZ3 TRP 48 3HZ TRP 48 -6.130 5.243 9.265 320 HH2 TRP 48 HH TRP 48 -4.311 5.565 10.862 321 H LEU 49 H LEU 49 -2.007 6.312 2.614 322 HA LEU 49 HA LEU 49 -0.471 8.177 3.970 323 HB2 LEU 49 1HB LEU 49 -0.299 7.749 1.002 324 HB3 LEU 49 2HB LEU 49 0.998 8.161 2.122 325 HG LEU 49 HG LEU 49 -0.418 5.503 1.931 326 HD11 LEU 49 1HD1 LEU 49 1.850 4.724 1.240 327 HD12 LEU 49 2HD1 LEU 49 2.334 6.415 1.117 328 HD13 LEU 49 3HD1 LEU 49 1.057 5.786 0.077 329 HD21 LEU 49 3HD2 LEU 49 2.048 5.932 3.536 330 HD22 LEU 49 1HD2 LEU 49 0.746 4.762 3.750 331 HD23 LEU 49 2HD2 LEU 49 0.503 6.444 4.219 332 H GLU 50 H GLU 50 -2.902 8.648 1.499 333 HA GLU 50 HA GLU 50 -2.271 11.341 0.881 334 HB2 GLU 50 1HB GLU 50 -4.747 9.665 0.537 335 HB3 GLU 50 2HB GLU 50 -4.718 11.365 0.087 336 HG2 GLU 50 1HG GLU 50 -2.641 10.730 -1.300 337 HG3 GLU 50 2HG GLU 50 -3.215 9.075 -1.108 338 H GLN 51 H GLN 51 -3.287 10.042 3.724 339 HA GLN 51 HA GLN 51 -4.555 12.570 4.547 340 HB2 GLN 51 1HB GLN 51 -5.339 9.744 5.145 341 HB3 GLN 51 2HB GLN 51 -5.671 11.001 6.329 342 HG2 GLN 51 1HG GLN 51 -6.503 11.478 3.522 343 HG3 GLN 51 2HG GLN 51 -7.423 10.319 4.481 344 HE21 GLN 51 1HE2 GLN 51 -9.018 12.117 3.884 345 HE22 GLN 51 2HE2 GLN 51 -9.211 13.369 5.059 346 H HIS 52 H HIS 52 -2.585 9.802 5.508 347 HA HIS 52 HA HIS 52 -1.574 11.382 7.779 348 HB2 HIS 52 1HB HIS 52 -1.255 8.402 7.485 349 HB3 HIS 52 2HB HIS 52 -1.118 9.379 8.944 350 HD2 HIS 52 2HD HIS 52 -3.996 8.114 6.555 351 HE1 HIS 52 1HE HIS 52 -5.606 8.967 10.386 352 HE2 HIS 52 2HE HIS 52 -6.055 7.978 8.114 353 H ASP 53 H ASP 53 -0.771 9.861 4.806 354 HA ASP 53 HA ASP 53 1.186 9.546 3.673 355 HB2 ASP 53 1HB ASP 53 2.642 11.455 3.603 356 HB3 ASP 53 2HB ASP 53 0.993 12.046 3.791 357 H SER 54 H SER 54 1.049 7.956 5.933 358 HA SER 54 HA SER 54 3.854 7.491 6.420 359 HB2 SER 54 1HB SER 54 2.078 7.901 8.829 360 HB3 SER 54 2HB SER 54 3.826 7.673 8.799 361 HG SER 54 HG SER 54 3.897 9.701 7.607 362 H CYS 55 H CYS 55 3.996 5.571 8.120 363 HA CYS 55 HA CYS 55 2.436 3.442 6.964 364 HB2 CYS 55 1HB CYS 55 4.847 3.182 7.494 365 HB3 CYS 55 2HB CYS 55 4.465 3.337 9.206 366 HA PRO 56 HA PRO 56 -0.757 3.714 10.055 367 HB2 PRO 56 1HB PRO 56 -2.174 1.570 9.182 368 HB3 PRO 56 2HB PRO 56 -2.215 3.141 8.374 369 HG2 PRO 56 1HG PRO 56 -0.647 0.690 7.671 370 HG3 PRO 56 2HG PRO 56 -1.536 1.794 6.605 371 HD2 PRO 56 1HD PRO 56 1.153 1.911 6.908 372 HD3 PRO 56 2HD PRO 56 0.163 3.351 6.592 373 H VAL 57 H VAL 57 1.765 1.637 9.927 374 HA VAL 57 HA VAL 57 0.736 -0.047 12.117 375 HB VAL 57 HB VAL 57 2.985 -0.604 10.179 376 HG11 VAL 57 1HG1 VAL 57 3.340 -1.389 12.564 377 HG12 VAL 57 2HG1 VAL 57 1.962 -2.461 12.310 378 HG13 VAL 57 3HG1 VAL 57 3.406 -2.629 11.312 379 HG21 VAL 57 3HG2 VAL 57 1.572 -1.915 9.015 380 HG22 VAL 57 1HG2 VAL 57 0.743 -2.482 10.465 381 HG23 VAL 57 2HG2 VAL 57 0.324 -0.919 9.764 382 H CYS 58 H CYS 58 3.836 1.293 10.955 383 HA CYS 58 HA CYS 58 4.609 1.700 13.766 384 HB2 CYS 58 1HB CYS 58 6.937 1.691 12.965 385 HB3 CYS 58 2HB CYS 58 6.102 0.199 12.542 386 H ARG 59 H ARG 59 3.697 3.296 10.932 387 HA ARG 59 HA ARG 59 3.608 5.482 10.312 388 HB2 ARG 59 1HB ARG 59 4.276 6.179 13.167 389 HB3 ARG 59 2HB ARG 59 3.330 7.111 12.014 390 HG2 ARG 59 1HG ARG 59 2.334 4.415 12.731 391 HG3 ARG 59 2HG ARG 59 2.215 5.686 13.949 392 HD2 ARG 59 1HD ARG 59 1.287 7.018 11.811 393 HD3 ARG 59 2HD ARG 59 0.805 5.380 11.370 394 HE ARG 59 HE ARG 59 -0.075 5.575 13.901 395 HH11 ARG 59 1HH1 ARG 59 -0.420 7.659 11.133 396 HH12 ARG 59 2HH1 ARG 59 -1.962 8.275 11.626 397 HH21 ARG 59 1HH2 ARG 59 -2.105 6.380 14.561 398 HH22 ARG 59 2HH2 ARG 59 -2.919 7.548 13.576 399 H LYS 60 H LYS 60 5.963 4.333 9.687 400 HA LYS 60 HA LYS 60 8.193 5.865 10.671 401 HB2 LYS 60 1HB LYS 60 8.075 3.408 9.669 402 HB3 LYS 60 2HB LYS 60 8.373 4.263 8.161 403 HG2 LYS 60 1HG LYS 60 10.107 4.632 10.583 404 HG3 LYS 60 2HG LYS 60 10.394 3.361 9.392 405 HD2 LYS 60 1HD LYS 60 11.091 4.825 7.798 406 HD3 LYS 60 2HD LYS 60 10.013 6.108 8.353 407 HE2 LYS 60 1HE LYS 60 12.002 6.993 9.020 408 HE3 LYS 60 2HE LYS 60 11.627 6.039 10.455 409 HZ1 LYS 60 3HZ LYS 60 13.420 4.799 10.128 410 HZ2 LYS 60 1HZ LYS 60 13.891 5.868 8.904 411 HZ3 LYS 60 2HZ LYS 60 13.004 4.480 8.520 412 H SER 61 H SER 61 8.464 7.913 10.090 413 HA SER 61 HA SER 61 7.265 9.435 8.258 414 HB2 SER 61 1HB SER 61 9.156 10.088 9.856 415 HB3 SER 61 2HB SER 61 10.261 9.630 8.560 416 HG SER 61 HG SER 61 9.869 11.784 8.308 417 H LEU 62 H LEU 62 6.976 9.463 6.132 418 HA LEU 62 HA LEU 62 8.681 7.761 4.463 419 HB2 LEU 62 1HB LEU 62 6.058 9.062 3.756 420 HB3 LEU 62 2HB LEU 62 6.913 7.829 2.831 421 HG LEU 62 HG LEU 62 5.680 7.408 5.553 422 HD11 LEU 62 1HD1 LEU 62 3.791 6.635 4.580 423 HD12 LEU 62 2HD1 LEU 62 4.632 6.062 3.140 424 HD13 LEU 62 3HD1 LEU 62 4.259 7.776 3.319 425 HD21 LEU 62 3HD2 LEU 62 7.227 5.676 3.673 426 HD22 LEU 62 1HD2 LEU 62 5.994 4.966 4.716 427 HD23 LEU 62 2HD2 LEU 62 7.358 5.829 5.426 428 H THR 63 H THR 63 9.776 10.197 5.311 429 HA THR 63 HA THR 63 10.548 11.312 2.809 430 HB THR 63 HB THR 63 8.413 12.494 3.028 431 HG1 THR 63 1HG THR 63 10.867 13.830 3.165 432 HG21 THR 63 3HG2 THR 63 9.478 13.072 5.746 433 HG22 THR 63 1HG2 THR 63 7.832 12.702 5.234 434 HG23 THR 63 2HG2 THR 63 8.502 14.310 4.955 435 H GLY 64 H GLY 64 12.422 12.530 2.961 436 HA2 GLY 64 1HA GLY 64 13.375 13.522 5.487 437 HA3 GLY 64 2HA GLY 64 14.207 12.064 4.968 438 H GLN 65 H GLN 65 15.700 12.166 3.339 439 HA GLN 65 HA GLN 65 16.943 14.642 2.852 440 HB2 GLN 65 1HB GLN 65 17.228 11.951 1.519 441 HB3 GLN 65 2HB GLN 65 18.229 13.335 1.098 442 HG2 GLN 65 1HG GLN 65 19.239 13.384 3.219 443 HG3 GLN 65 2HG GLN 65 18.027 12.304 3.907 444 HE21 GLN 65 1HE2 GLN 65 20.707 11.811 4.210 445 HE22 GLN 65 2HE2 GLN 65 21.144 10.406 3.304 446 H ASN 66 H ASN 66 17.469 15.365 0.532 447 HA ASN 66 HA ASN 66 15.338 16.557 -0.643 448 HB2 ASN 66 1HB ASN 66 17.906 16.670 -1.185 449 HB3 ASN 66 2HB ASN 66 17.493 15.507 -2.441 450 HD21 ASN 66 1HD2 ASN 66 18.522 17.925 -3.116 451 HD22 ASN 66 2HD2 ASN 66 17.309 18.896 -3.872 452 H THR 67 H THR 67 13.472 15.597 -1.153 453 HA THR 67 HA THR 67 13.550 13.400 -3.099 454 HB THR 67 HB THR 67 13.130 12.370 -0.916 455 HG1 THR 67 1HG THR 67 10.660 12.413 -2.307 456 HG21 THR 67 3HG2 THR 67 10.587 13.084 -0.182 457 HG22 THR 67 1HG2 THR 67 11.289 14.630 -0.656 458 HG23 THR 67 2HG2 THR 67 12.066 13.653 0.590 459 H ALA 68 H ALA 68 11.619 13.185 -4.377 460 HA ALA 68 HA ALA 68 10.658 15.436 -5.540 461 HB1 ALA 68 3HB ALA 68 10.266 13.206 -6.436 462 HB2 ALA 68 1HB ALA 68 9.112 12.877 -5.144 463 HB3 ALA 68 2HB ALA 68 8.760 14.119 -6.347 464 H THR 69 H THR 69 9.852 17.167 -4.534 465 HA THR 69 HA THR 69 8.259 16.985 -2.159 466 HB THR 69 HB THR 69 8.774 19.387 -3.924 467 HG1 THR 69 1HG THR 69 10.507 19.768 -2.616 468 HG21 THR 69 3HG2 THR 69 7.778 19.181 -1.080 469 HG22 THR 69 1HG2 THR 69 6.842 19.707 -2.478 470 HG23 THR 69 2HG2 THR 69 8.197 20.681 -1.907 471 H ASN 70 H ASN 70 6.359 15.912 -2.571 472 HA ASN 70 HA ASN 70 4.437 17.358 -4.253 473 HB2 ASN 70 1HB ASN 70 4.773 15.627 -5.725 474 HB3 ASN 70 2HB ASN 70 5.249 14.500 -4.459 475 HD21 ASN 70 1HD2 ASN 70 3.899 12.868 -4.382 476 HD22 ASN 70 2HD2 ASN 70 2.180 12.956 -4.530 477 HA PRO 71 HA PRO 71 2.002 17.076 -0.574 478 HB2 PRO 71 1HB PRO 71 -0.352 17.900 -1.647 479 HB3 PRO 71 2HB PRO 71 0.983 19.004 -1.296 480 HG2 PRO 71 1HG PRO 71 0.186 17.763 -3.901 481 HG3 PRO 71 2HG PRO 71 0.690 19.429 -3.564 482 HD2 PRO 71 1HD PRO 71 2.367 17.586 -4.624 483 HD3 PRO 71 2HD PRO 71 2.929 18.882 -3.548 484 HA PRO 72 HA PRO 72 -0.142 13.235 -0.655 485 HB2 PRO 72 1HB PRO 72 -2.086 13.663 1.192 486 HB3 PRO 72 2HB PRO 72 -0.384 13.451 1.620 487 HG2 PRO 72 1HG PRO 72 -1.968 15.976 1.344 488 HG3 PRO 72 2HG PRO 72 -0.792 15.524 2.591 489 HD2 PRO 72 1HD PRO 72 -0.169 17.160 0.526 490 HD3 PRO 72 2HD PRO 72 1.013 16.058 1.261 491 H GLY 73 H GLY 73 -1.626 16.111 -1.673 492 HA2 GLY 73 1HA GLY 73 -3.076 15.578 -3.706 493 HA3 GLY 73 2HA GLY 73 -4.043 14.669 -2.553 494 H LEU 74 H LEU 74 -5.634 15.694 -1.506 495 HA LEU 74 HA LEU 74 -6.673 18.090 -2.234 496 HB2 LEU 74 1HB LEU 74 -6.772 16.618 0.370 497 HB3 LEU 74 2HB LEU 74 -7.598 18.164 0.184 498 HG LEU 74 HG LEU 74 -8.127 15.843 -1.652 499 HD11 LEU 74 1HD1 LEU 74 -8.594 15.000 0.535 500 HD12 LEU 74 2HD1 LEU 74 -10.127 15.412 -0.232 501 HD13 LEU 74 3HD1 LEU 74 -9.434 16.484 0.985 502 HD21 LEU 74 3HD2 LEU 74 -10.153 17.872 -0.927 503 HD22 LEU 74 1HD2 LEU 74 -9.841 17.077 -2.470 504 HD23 LEU 74 2HD2 LEU 74 -8.813 18.410 -1.941 505 H THR 75 H THR 75 -6.222 20.183 -1.971 506 HA THR 75 HA THR 75 -3.801 21.145 -1.098 507 HB THR 75 HB THR 75 -5.331 22.492 -2.447 508 HG1 THR 75 1HG THR 75 -3.854 23.765 -1.444 509 HG21 THR 75 3HG2 THR 75 -7.254 23.606 -1.455 510 HG22 THR 75 1HG2 THR 75 -6.943 22.812 0.088 511 HG23 THR 75 2HG2 THR 75 -7.425 21.856 -1.314 512 H GLY 76 H GLY 76 -6.820 20.887 0.753 513 HA2 GLY 76 1HA GLY 76 -5.263 21.489 3.191 514 HA3 GLY 76 2HA GLY 76 -6.969 21.864 3.001 515 H VAL 77 H VAL 77 -4.650 19.213 3.267 516 HA VAL 77 HA VAL 77 -6.840 17.497 4.244 517 HB VAL 77 HB VAL 77 -5.903 16.544 2.247 518 HG11 VAL 77 1HG1 VAL 77 -3.225 15.966 3.116 519 HG12 VAL 77 2HG1 VAL 77 -3.775 16.785 1.652 520 HG13 VAL 77 3HG1 VAL 77 -3.513 17.705 3.134 521 HG21 VAL 77 3HG2 VAL 77 -5.789 15.267 4.801 522 HG22 VAL 77 1HG2 VAL 77 -6.171 14.570 3.226 523 HG23 VAL 77 2HG2 VAL 77 -4.498 14.637 3.779 524 H GLY 78 H GLY 78 -6.769 16.892 6.309 525 HA2 GLY 78 1HA GLY 78 -5.748 16.079 8.270 526 HA3 GLY 78 2HA GLY 78 -4.195 16.638 7.666 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -6.136 -20.741 -11.512 2 HA2 GLY 1 1HA GLY 1 -8.611 -21.124 -10.319 3 HA3 GLY 1 2HA GLY 1 -7.764 -22.341 -11.263 4 H SER 2 H SER 2 -6.622 -23.963 -10.227 5 HA SER 2 HA SER 2 -6.559 -23.969 -7.309 6 HB2 SER 2 1HB SER 2 -8.050 -25.979 -8.993 7 HB3 SER 2 2HB SER 2 -7.494 -26.354 -7.362 8 HG SER 2 HG SER 2 -9.544 -25.577 -7.149 9 H SER 3 H SER 3 -5.134 -25.557 -6.415 10 HA SER 3 HA SER 3 -3.031 -26.462 -6.342 11 HB2 SER 3 1HB SER 3 -2.795 -28.500 -7.649 12 HB3 SER 3 2HB SER 3 -4.452 -28.374 -7.059 13 HG SER 3 HG SER 3 -3.917 -27.264 -9.551 14 H GLY 4 H GLY 4 -2.981 -24.019 -7.644 15 HA2 GLY 4 1HA GLY 4 -1.832 -23.987 -10.192 16 HA3 GLY 4 2HA GLY 4 -1.616 -22.740 -8.972 17 H SER 5 H SER 5 0.181 -22.834 -7.578 18 HA SER 5 HA SER 5 2.259 -24.773 -8.341 19 HB2 SER 5 1HB SER 5 2.694 -21.812 -7.877 20 HB3 SER 5 2HB SER 5 3.950 -22.996 -8.236 21 HG SER 5 HG SER 5 3.479 -22.801 -10.265 22 H SER 6 H SER 6 4.177 -24.540 -6.701 23 HA SER 6 HA SER 6 3.147 -24.110 -3.988 24 HB2 SER 6 1HB SER 6 4.391 -26.636 -5.063 25 HB3 SER 6 2HB SER 6 4.415 -26.252 -3.342 26 HG SER 6 HG SER 6 2.090 -26.071 -3.501 27 H GLY 7 H GLY 7 4.838 -23.916 -2.360 28 HA2 GLY 7 1HA GLY 7 7.429 -23.932 -2.281 29 HA3 GLY 7 2HA GLY 7 7.250 -22.704 -3.525 30 H THR 8 H THR 8 8.578 -22.240 -1.113 31 HA THR 8 HA THR 8 6.710 -20.434 0.281 32 HB THR 8 HB THR 8 9.227 -21.709 1.372 33 HG1 THR 8 1HG THR 8 7.818 -23.289 1.637 34 HG21 THR 8 3HG2 THR 8 9.182 -20.180 2.990 35 HG22 THR 8 1HG2 THR 8 7.519 -20.618 3.377 36 HG23 THR 8 2HG2 THR 8 7.845 -19.368 2.177 37 H GLU 9 H GLU 9 7.080 -18.711 -1.166 38 HA GLU 9 HA GLU 9 9.757 -17.724 -1.588 39 HB2 GLU 9 1HB GLU 9 7.077 -16.517 -2.298 40 HB3 GLU 9 2HB GLU 9 8.637 -15.900 -2.822 41 HG2 GLU 9 1HG GLU 9 7.423 -17.256 -4.520 42 HG3 GLU 9 2HG GLU 9 9.050 -17.824 -4.148 43 H GLU 10 H GLU 10 9.729 -15.088 -1.387 44 HA GLU 10 HA GLU 10 9.728 -14.654 1.467 45 HB2 GLU 10 1HB GLU 10 10.922 -12.656 1.022 46 HB3 GLU 10 2HB GLU 10 11.532 -13.849 -0.115 47 HG2 GLU 10 1HG GLU 10 10.256 -12.897 -1.900 48 HG3 GLU 10 2HG GLU 10 9.432 -11.805 -0.788 49 H HIS 11 H HIS 11 7.584 -14.111 -1.116 50 HA HIS 11 HA HIS 11 5.909 -12.433 0.621 51 HB2 HIS 11 1HB HIS 11 6.680 -10.828 -0.904 52 HB3 HIS 11 2HB HIS 11 6.641 -11.957 -2.255 53 HD2 HIS 11 2HD HIS 11 4.034 -9.947 -0.074 54 HE1 HIS 11 1HE HIS 11 2.321 -10.861 -3.846 55 HE2 HIS 11 2HE HIS 11 2.048 -9.586 -1.690 56 H VAL 12 H VAL 12 6.225 -15.273 -0.971 57 HA VAL 12 HA VAL 12 4.126 -15.946 -2.454 58 HB VAL 12 HB VAL 12 5.556 -17.697 -1.750 59 HG11 VAL 12 1HG1 VAL 12 4.607 -17.116 1.052 60 HG12 VAL 12 2HG1 VAL 12 5.587 -18.513 0.601 61 HG13 VAL 12 3HG1 VAL 12 6.231 -16.883 0.404 62 HG21 VAL 12 3HG2 VAL 12 3.204 -18.654 -0.256 63 HG22 VAL 12 1HG2 VAL 12 2.878 -18.016 -1.868 64 HG23 VAL 12 2HG2 VAL 12 4.018 -19.346 -1.659 65 H GLY 13 H GLY 13 3.929 -15.184 0.983 66 HA2 GLY 13 1HA GLY 13 1.689 -13.979 1.382 67 HA3 GLY 13 2HA GLY 13 1.005 -15.512 0.863 68 H SER 14 H SER 14 3.655 -14.581 3.061 69 HA SER 14 HA SER 14 2.480 -16.389 5.065 70 HB2 SER 14 1HB SER 14 4.862 -16.782 4.153 71 HB3 SER 14 2HB SER 14 5.318 -15.381 5.121 72 HG SER 14 HG SER 14 3.868 -17.495 6.280 73 H GLY 15 H GLY 15 1.368 -15.356 6.582 74 HA2 GLY 15 1HA GLY 15 0.601 -13.566 7.855 75 HA3 GLY 15 2HA GLY 15 2.228 -13.708 8.502 76 H LEU 16 H LEU 16 1.265 -12.608 5.281 77 HA LEU 16 HA LEU 16 2.546 -10.028 5.886 78 HB2 LEU 16 1HB LEU 16 2.589 -9.909 3.296 79 HB3 LEU 16 2HB LEU 16 3.774 -10.895 4.150 80 HG LEU 16 HG LEU 16 2.557 -12.909 3.592 81 HD11 LEU 16 1HD1 LEU 16 0.458 -10.987 2.895 82 HD12 LEU 16 2HD1 LEU 16 0.337 -12.664 3.428 83 HD13 LEU 16 3HD1 LEU 16 0.670 -12.299 1.735 84 HD21 LEU 16 3HD2 LEU 16 3.596 -12.993 1.629 85 HD22 LEU 16 1HD2 LEU 16 3.894 -11.262 1.783 86 HD23 LEU 16 2HD2 LEU 16 2.470 -11.837 0.916 87 H GLU 17 H GLU 17 -0.426 -11.435 5.509 88 HA GLU 17 HA GLU 17 -2.028 -10.022 3.903 89 HB2 GLU 17 1HB GLU 17 -3.801 -10.137 5.620 90 HB3 GLU 17 2HB GLU 17 -2.914 -11.648 5.469 91 HG2 GLU 17 1HG GLU 17 -1.531 -10.885 7.438 92 HG3 GLU 17 2HG GLU 17 -2.714 -9.596 7.650 93 H CYS 18 H CYS 18 -2.931 -8.013 3.724 94 HA CYS 18 HA CYS 18 -1.504 -5.791 4.589 95 HB2 CYS 18 1HB CYS 18 -2.853 -5.380 2.743 96 HB3 CYS 18 2HB CYS 18 -4.250 -6.177 3.460 97 HA PRO 19 HA PRO 19 -2.769 -5.477 8.827 98 HB2 PRO 19 1HB PRO 19 -1.634 -3.060 9.315 99 HB3 PRO 19 2HB PRO 19 -0.699 -4.555 9.206 100 HG2 PRO 19 1HG PRO 19 -1.121 -2.431 7.140 101 HG3 PRO 19 2HG PRO 19 0.369 -3.290 7.573 102 HD2 PRO 19 1HD PRO 19 -1.114 -3.946 5.404 103 HD3 PRO 19 2HD PRO 19 -0.193 -5.148 6.331 104 H VAL 20 H VAL 20 -3.329 -2.940 6.446 105 HA VAL 20 HA VAL 20 -4.972 -1.227 7.858 106 HB VAL 20 HB VAL 20 -5.534 -1.975 4.998 107 HG11 VAL 20 1HG1 VAL 20 -5.724 0.678 5.081 108 HG12 VAL 20 2HG1 VAL 20 -7.074 -0.379 5.498 109 HG13 VAL 20 3HG1 VAL 20 -6.085 0.334 6.772 110 HG21 VAL 20 3HG2 VAL 20 -3.467 -1.415 4.406 111 HG22 VAL 20 1HG2 VAL 20 -3.735 0.193 5.078 112 HG23 VAL 20 2HG2 VAL 20 -3.046 -1.080 6.085 113 H CYS 21 H CYS 21 -5.933 -4.099 5.986 114 HA CYS 21 HA CYS 21 -8.550 -4.011 7.329 115 HB2 CYS 21 1HB CYS 21 -9.234 -5.596 5.461 116 HB3 CYS 21 2HB CYS 21 -8.880 -3.939 4.982 117 H LYS 22 H LYS 22 -5.633 -5.782 7.010 118 HA LYS 22 HA LYS 22 -4.849 -7.658 8.032 119 HB2 LYS 22 1HB LYS 22 -7.395 -7.558 9.658 120 HB3 LYS 22 2HB LYS 22 -5.922 -8.428 10.066 121 HG2 LYS 22 1HG LYS 22 -5.725 -5.499 9.642 122 HG3 LYS 22 2HG LYS 22 -6.504 -6.075 11.118 123 HD2 LYS 22 1HD LYS 22 -4.527 -7.377 11.677 124 HD3 LYS 22 2HD LYS 22 -3.752 -6.880 10.170 125 HE2 LYS 22 1HE LYS 22 -3.359 -4.749 10.918 126 HE3 LYS 22 2HE LYS 22 -4.728 -4.770 12.028 127 HZ1 LYS 22 3HZ LYS 22 -3.439 -5.483 13.674 128 HZ2 LYS 22 1HZ LYS 22 -2.106 -5.130 12.694 129 HZ3 LYS 22 2HZ LYS 22 -2.739 -6.698 12.728 130 H GLU 23 H GLU 23 -6.258 -7.943 5.623 131 HA GLU 23 HA GLU 23 -7.800 -10.414 5.985 132 HB2 GLU 23 1HB GLU 23 -7.564 -8.521 3.644 133 HB3 GLU 23 2HB GLU 23 -8.422 -10.054 3.571 134 HG2 GLU 23 1HG GLU 23 -9.153 -8.156 5.729 135 HG3 GLU 23 2HG GLU 23 -9.656 -7.779 4.082 136 H ASP 24 H ASP 24 -5.971 -9.430 3.140 137 HA ASP 24 HA ASP 24 -3.704 -10.999 3.451 138 HB2 ASP 24 1HB ASP 24 -5.092 -12.955 3.556 139 HB3 ASP 24 2HB ASP 24 -6.001 -12.453 2.133 140 H TYR 25 H TYR 25 -2.658 -11.526 1.276 141 HA TYR 25 HA TYR 25 -3.225 -9.293 -0.539 142 HB2 TYR 25 1HB TYR 25 -0.759 -10.959 -0.057 143 HB3 TYR 25 2HB TYR 25 -0.908 -9.884 -1.442 144 HD1 TYR 25 1HD TYR 25 -2.308 -7.580 -0.215 145 HD2 TYR 25 2HD TYR 25 0.898 -9.962 1.252 146 HE1 TYR 25 1HE TYR 25 -1.545 -5.692 1.165 147 HE2 TYR 25 2HE TYR 25 1.669 -8.081 2.637 148 HH TYR 25 HH TYR 25 0.961 -6.055 3.551 149 H ALA 26 H ALA 26 -2.187 -10.014 -2.870 150 HA ALA 26 HA ALA 26 -2.939 -12.649 -3.707 151 HB1 ALA 26 3HB ALA 26 -4.910 -12.286 -4.799 152 HB2 ALA 26 1HB ALA 26 -5.098 -11.147 -3.465 153 HB3 ALA 26 2HB ALA 26 -4.585 -10.572 -5.052 154 H LEU 27 H LEU 27 -1.747 -13.191 -5.423 155 HA LEU 27 HA LEU 27 0.316 -11.842 -6.464 156 HB2 LEU 27 1HB LEU 27 -1.559 -13.649 -7.980 157 HB3 LEU 27 2HB LEU 27 0.020 -13.139 -8.575 158 HG LEU 27 HG LEU 27 -0.318 -14.656 -5.999 159 HD11 LEU 27 1HD1 LEU 27 -0.440 -15.614 -8.782 160 HD12 LEU 27 2HD1 LEU 27 -1.077 -16.330 -7.302 161 HD13 LEU 27 3HD1 LEU 27 0.631 -16.507 -7.703 162 HD21 LEU 27 3HD2 LEU 27 1.862 -14.274 -5.836 163 HD22 LEU 27 1HD2 LEU 27 1.877 -13.462 -7.402 164 HD23 LEU 27 2HD2 LEU 27 2.103 -15.209 -7.313 165 H GLY 28 H GLY 28 -3.009 -11.621 -7.701 166 HA2 GLY 28 1HA GLY 28 -2.273 -9.620 -9.654 167 HA3 GLY 28 2HA GLY 28 -3.894 -10.214 -9.324 168 H GLU 29 H GLU 29 -3.496 -9.659 -6.402 169 HA GLU 29 HA GLU 29 -4.696 -7.124 -6.327 170 HB2 GLU 29 1HB GLU 29 -3.588 -9.007 -4.310 171 HB3 GLU 29 2HB GLU 29 -3.845 -7.344 -3.803 172 HG2 GLU 29 1HG GLU 29 -6.057 -8.730 -5.213 173 HG3 GLU 29 2HG GLU 29 -5.711 -9.187 -3.546 174 H SER 30 H SER 30 -3.823 -5.199 -6.651 175 HA SER 30 HA SER 30 -1.040 -4.769 -6.881 176 HB2 SER 30 1HB SER 30 -2.797 -3.426 -8.050 177 HB3 SER 30 2HB SER 30 -3.193 -2.676 -6.504 178 HG SER 30 HG SER 30 -0.520 -2.639 -7.250 179 H VAL 31 H VAL 31 0.177 -5.126 -5.105 180 HA VAL 31 HA VAL 31 -0.623 -3.893 -2.567 181 HB VAL 31 HB VAL 31 1.553 -5.243 -1.847 182 HG11 VAL 31 1HG1 VAL 31 -0.629 -5.590 -0.887 183 HG12 VAL 31 2HG1 VAL 31 -1.170 -6.444 -2.333 184 HG13 VAL 31 3HG1 VAL 31 0.073 -7.153 -1.302 185 HG21 VAL 31 3HG2 VAL 31 1.973 -5.908 -4.234 186 HG22 VAL 31 1HG2 VAL 31 1.900 -7.245 -3.086 187 HG23 VAL 31 2HG2 VAL 31 0.524 -6.908 -4.137 188 H ARG 32 H ARG 32 0.836 -2.607 -1.365 189 HA ARG 32 HA ARG 32 3.035 -1.444 -2.944 190 HB2 ARG 32 1HB ARG 32 1.617 0.350 -2.964 191 HB3 ARG 32 2HB ARG 32 0.807 -0.136 -1.480 192 HG2 ARG 32 1HG ARG 32 2.261 0.984 -0.153 193 HG3 ARG 32 2HG ARG 32 3.623 0.738 -1.248 194 HD2 ARG 32 1HD ARG 32 2.617 2.392 -2.794 195 HD3 ARG 32 2HD ARG 32 1.349 2.685 -1.605 196 HE ARG 32 HE ARG 32 2.804 4.031 -0.484 197 HH11 ARG 32 1HH1 ARG 32 4.636 1.858 -2.493 198 HH12 ARG 32 2HH1 ARG 32 6.162 2.588 -2.117 199 HH21 ARG 32 1HH2 ARG 32 4.806 5.001 0.019 200 HH22 ARG 32 2HH2 ARG 32 6.257 4.375 -0.687 201 H GLN 33 H GLN 33 4.960 -1.224 -1.945 202 HA GLN 33 HA GLN 33 5.132 -2.173 0.825 203 HB2 GLN 33 1HB GLN 33 6.444 -3.335 -0.976 204 HB3 GLN 33 2HB GLN 33 7.376 -1.857 -1.170 205 HG2 GLN 33 1HG GLN 33 8.537 -2.167 0.743 206 HG3 GLN 33 2HG GLN 33 7.189 -2.952 1.564 207 HE21 GLN 33 1HE2 GLN 33 8.711 -4.509 2.315 208 HE22 GLN 33 2HE2 GLN 33 9.224 -5.799 1.286 209 H LEU 34 H LEU 34 6.119 -0.996 2.423 210 HA LEU 34 HA LEU 34 6.544 1.839 1.817 211 HB2 LEU 34 1HB LEU 34 5.884 0.322 4.312 212 HB3 LEU 34 2HB LEU 34 6.554 1.950 4.403 213 HG LEU 34 HG LEU 34 3.910 1.094 3.246 214 HD11 LEU 34 1HD1 LEU 34 2.948 2.391 4.938 215 HD12 LEU 34 2HD1 LEU 34 4.465 3.215 5.295 216 HD13 LEU 34 3HD1 LEU 34 4.257 1.522 5.740 217 HD21 LEU 34 3HD2 LEU 34 3.936 3.810 3.062 218 HD22 LEU 34 1HD2 LEU 34 4.224 2.705 1.718 219 HD23 LEU 34 2HD2 LEU 34 5.588 3.406 2.590 220 HA PRO 35 HA PRO 35 10.874 1.754 2.519 221 HB2 PRO 35 1HB PRO 35 11.289 4.051 3.906 222 HB3 PRO 35 2HB PRO 35 10.879 4.028 2.187 223 HG2 PRO 35 1HG PRO 35 9.107 4.509 4.551 224 HG3 PRO 35 2HG PRO 35 9.155 5.362 2.997 225 HD2 PRO 35 1HD PRO 35 7.302 3.471 3.564 226 HD3 PRO 35 2HD PRO 35 7.926 3.735 1.923 227 H CYS 36 H CYS 36 8.771 1.078 4.915 228 HA CYS 36 HA CYS 36 10.878 0.850 6.963 229 HB2 CYS 36 1HB CYS 36 8.898 0.650 8.565 230 HB3 CYS 36 2HB CYS 36 9.190 2.237 7.861 231 H ASN 37 H ASN 37 9.813 -0.952 4.659 232 HA ASN 37 HA ASN 37 9.805 -3.204 4.299 233 HB2 ASN 37 1HB ASN 37 10.083 -3.873 7.189 234 HB3 ASN 37 2HB ASN 37 10.864 -4.599 5.787 235 HD21 ASN 37 1HD2 ASN 37 11.277 -2.612 8.414 236 HD22 ASN 37 2HD2 ASN 37 12.762 -1.858 7.954 237 H HIS 38 H HIS 38 7.425 -1.696 4.870 238 HA HIS 38 HA HIS 38 5.719 -3.874 5.880 239 HB2 HIS 38 1HB HIS 38 5.495 -0.913 6.413 240 HB3 HIS 38 2HB HIS 38 4.148 -2.021 6.654 241 HD2 HIS 38 2HD HIS 38 5.676 -4.421 8.229 242 HE1 HIS 38 1HE HIS 38 6.918 -1.366 10.898 243 HE2 HIS 38 2HE HIS 38 6.702 -3.849 10.533 244 H LEU 39 H LEU 39 4.257 -4.558 4.464 245 HA LEU 39 HA LEU 39 3.792 -2.971 2.051 246 HB2 LEU 39 1HB LEU 39 3.498 -5.858 2.754 247 HB3 LEU 39 2HB LEU 39 2.586 -5.194 1.399 248 HG LEU 39 HG LEU 39 5.534 -4.764 1.485 249 HD11 LEU 39 1HD1 LEU 39 4.438 -7.330 1.711 250 HD12 LEU 39 2HD1 LEU 39 6.093 -6.899 1.282 251 HD13 LEU 39 3HD1 LEU 39 4.891 -7.143 0.016 252 HD21 LEU 39 3HD2 LEU 39 5.182 -5.075 -0.986 253 HD22 LEU 39 1HD2 LEU 39 4.368 -3.680 -0.276 254 HD23 LEU 39 2HD2 LEU 39 3.450 -5.138 -0.656 255 H PHE 40 H PHE 40 1.621 -2.801 1.176 256 HA PHE 40 HA PHE 40 -0.632 -3.324 2.885 257 HB2 PHE 40 1HB PHE 40 0.019 -0.437 2.271 258 HB3 PHE 40 2HB PHE 40 -1.326 -1.041 3.231 259 HD1 PHE 40 2HD PHE 40 2.381 -0.885 3.133 260 HD2 PHE 40 1HD PHE 40 -1.112 -1.295 5.530 261 HE1 PHE 40 2HE PHE 40 3.758 -0.707 5.164 262 HE2 PHE 40 1HE PHE 40 0.259 -1.116 7.565 263 HZ PHE 40 HZ PHE 40 2.698 -0.824 7.384 264 H HIS 41 H HIS 41 -2.585 -3.234 1.798 265 HA HIS 41 HA HIS 41 -2.606 -3.692 -0.927 266 HB2 HIS 41 1HB HIS 41 -4.765 -2.792 0.969 267 HB3 HIS 41 2HB HIS 41 -5.099 -3.070 -0.738 268 HD2 HIS 41 2HD HIS 41 -3.572 -5.885 -1.192 269 HE1 HIS 41 1HE HIS 41 -5.835 -7.245 2.129 270 HE2 HIS 41 2HE HIS 41 -4.395 -7.920 0.176 271 H ASP 42 H ASP 42 -2.697 -2.468 -2.721 272 HA ASP 42 HA ASP 42 -1.954 0.230 -2.659 273 HB2 ASP 42 1HB ASP 42 -1.515 -1.145 -4.607 274 HB3 ASP 42 2HB ASP 42 -3.240 -1.379 -4.873 275 H SER 43 H SER 43 -4.920 -1.141 -1.962 276 HA SER 43 HA SER 43 -6.379 1.312 -2.682 277 HB2 SER 43 1HB SER 43 -7.461 -0.559 -3.674 278 HB3 SER 43 2HB SER 43 -7.322 -1.515 -2.199 279 HG SER 43 HG SER 43 -8.688 0.869 -1.934 280 H CYS 44 H CYS 44 -4.939 -0.254 -0.114 281 HA CYS 44 HA CYS 44 -6.782 0.906 1.858 282 HB2 CYS 44 1HB CYS 44 -4.633 -1.201 2.124 283 HB3 CYS 44 2HB CYS 44 -5.493 -0.512 3.497 284 H ILE 45 H ILE 45 -3.455 0.925 0.747 285 HA ILE 45 HA ILE 45 -2.612 2.764 2.822 286 HB ILE 45 HB ILE 45 -1.202 0.910 1.574 287 HG12 ILE 45 1HG1 ILE 45 0.834 2.114 2.209 288 HG13 ILE 45 2HG1 ILE 45 -0.062 3.628 2.263 289 HG21 ILE 45 1HG2 ILE 45 -1.506 1.831 -0.655 290 HG22 ILE 45 2HG2 ILE 45 -0.768 3.348 -0.145 291 HG23 ILE 45 3HG2 ILE 45 0.196 1.872 -0.196 292 HD11 ILE 45 3HD1 ILE 45 -1.185 3.037 4.202 293 HD12 ILE 45 1HD1 ILE 45 -0.849 1.319 3.989 294 HD13 ILE 45 2HD1 ILE 45 0.446 2.419 4.463 295 H VAL 46 H VAL 46 -3.107 2.831 -0.693 296 HA VAL 46 HA VAL 46 -2.278 5.301 -1.406 297 HB VAL 46 HB VAL 46 -4.590 3.651 -2.267 298 HG11 VAL 46 1HG1 VAL 46 -5.042 5.541 -3.994 299 HG12 VAL 46 2HG1 VAL 46 -5.791 5.622 -2.398 300 HG13 VAL 46 3HG1 VAL 46 -4.360 6.591 -2.753 301 HG21 VAL 46 3HG2 VAL 46 -2.079 3.701 -3.068 302 HG22 VAL 46 1HG2 VAL 46 -3.395 3.409 -4.205 303 HG23 VAL 46 2HG2 VAL 46 -2.669 5.012 -4.089 304 HA PRO 47 HA PRO 47 -6.340 7.402 0.164 305 HB2 PRO 47 1HB PRO 47 -7.969 5.922 1.753 306 HB3 PRO 47 2HB PRO 47 -8.121 5.961 -0.008 307 HG2 PRO 47 1HG PRO 47 -6.803 3.915 1.734 308 HG3 PRO 47 2HG PRO 47 -7.852 3.676 0.325 309 HD2 PRO 47 1HD PRO 47 -5.155 3.479 0.184 310 HD3 PRO 47 2HD PRO 47 -6.142 4.063 -1.171 311 H TRP 48 H TRP 48 -4.387 5.302 2.070 312 HA TRP 48 HA TRP 48 -4.932 6.608 4.584 313 HB2 TRP 48 1HB TRP 48 -4.332 4.273 4.644 314 HB3 TRP 48 2HB TRP 48 -2.843 4.586 3.757 315 HD1 TRP 48 HD TRP 48 -0.743 5.308 5.134 316 HE1 TRP 48 1HE TRP 48 -0.265 5.579 7.648 317 HE3 TRP 48 3HE TRP 48 -5.529 5.017 6.906 318 HZ2 TRP 48 2HZ TRP 48 -1.723 5.657 10.064 319 HZ3 TRP 48 3HZ TRP 48 -5.902 5.199 9.331 320 HH2 TRP 48 HH TRP 48 -4.037 5.512 10.876 321 H LEU 49 H LEU 49 -2.002 6.304 2.564 322 HA LEU 49 HA LEU 49 -0.440 8.167 3.889 323 HB2 LEU 49 1HB LEU 49 -0.387 7.794 0.909 324 HB3 LEU 49 2HB LEU 49 0.949 8.214 1.978 325 HG LEU 49 HG LEU 49 -0.432 5.533 1.851 326 HD11 LEU 49 1HD1 LEU 49 0.833 5.598 -0.078 327 HD12 LEU 49 2HD1 LEU 49 1.969 4.913 1.083 328 HD13 LEU 49 3HD1 LEU 49 2.077 6.618 0.644 329 HD21 LEU 49 3HD2 LEU 49 2.131 6.123 3.281 330 HD22 LEU 49 1HD2 LEU 49 1.013 4.775 3.497 331 HD23 LEU 49 2HD2 LEU 49 0.577 6.383 4.076 332 H GLU 50 H GLU 50 -2.962 8.651 1.508 333 HA GLU 50 HA GLU 50 -2.382 11.405 1.025 334 HB2 GLU 50 1HB GLU 50 -4.815 9.702 0.492 335 HB3 GLU 50 2HB GLU 50 -4.728 11.402 0.054 336 HG2 GLU 50 1HG GLU 50 -2.609 10.776 -1.228 337 HG3 GLU 50 2HG GLU 50 -3.142 9.107 -1.034 338 H GLN 51 H GLN 51 -3.271 10.005 3.786 339 HA GLN 51 HA GLN 51 -4.809 12.358 4.656 340 HB2 GLN 51 1HB GLN 51 -5.320 9.454 5.243 341 HB3 GLN 51 2HB GLN 51 -5.879 10.712 6.337 342 HG2 GLN 51 1HG GLN 51 -6.549 10.960 3.456 343 HG3 GLN 51 2HG GLN 51 -7.408 9.759 4.419 344 HE21 GLN 51 1HE2 GLN 51 -9.261 11.116 3.847 345 HE22 GLN 51 2HE2 GLN 51 -9.622 12.483 4.839 346 H HIS 52 H HIS 52 -2.586 9.765 5.528 347 HA HIS 52 HA HIS 52 -1.738 11.360 7.857 348 HB2 HIS 52 1HB HIS 52 -1.256 8.403 7.544 349 HB3 HIS 52 2HB HIS 52 -1.168 9.375 9.010 350 HD2 HIS 52 2HD HIS 52 -4.002 8.061 6.586 351 HE1 HIS 52 1HE HIS 52 -5.613 8.673 10.463 352 HE2 HIS 52 2HE HIS 52 -6.041 7.770 8.151 353 H ASP 53 H ASP 53 -0.827 10.017 4.855 354 HA ASP 53 HA ASP 53 1.145 9.866 3.719 355 HB2 ASP 53 1HB ASP 53 2.536 11.809 3.804 356 HB3 ASP 53 2HB ASP 53 0.882 12.349 4.074 357 H SER 54 H SER 54 0.956 8.218 6.047 358 HA SER 54 HA SER 54 3.779 7.687 6.433 359 HB2 SER 54 1HB SER 54 2.003 8.072 8.852 360 HB3 SER 54 2HB SER 54 3.731 7.719 8.843 361 HG SER 54 HG SER 54 2.457 10.089 7.944 362 H CYS 55 H CYS 55 3.892 5.713 8.110 363 HA CYS 55 HA CYS 55 2.361 3.623 6.854 364 HB2 CYS 55 1HB CYS 55 4.728 3.283 7.411 365 HB3 CYS 55 2HB CYS 55 4.363 3.501 9.119 366 HA PRO 56 HA PRO 56 -0.935 3.742 9.828 367 HB2 PRO 56 1HB PRO 56 -2.217 1.517 8.946 368 HB3 PRO 56 2HB PRO 56 -2.297 3.070 8.104 369 HG2 PRO 56 1HG PRO 56 -0.592 0.681 7.515 370 HG3 PRO 56 2HG PRO 56 -1.488 1.721 6.392 371 HD2 PRO 56 1HD PRO 56 1.178 1.969 6.796 372 HD3 PRO 56 2HD PRO 56 0.137 3.355 6.411 373 H VAL 57 H VAL 57 1.681 1.777 9.837 374 HA VAL 57 HA VAL 57 0.655 0.144 12.068 375 HB VAL 57 HB VAL 57 2.923 -0.497 10.175 376 HG11 VAL 57 1HG1 VAL 57 3.464 -2.320 11.437 377 HG12 VAL 57 2HG1 VAL 57 2.938 -1.228 12.719 378 HG13 VAL 57 3HG1 VAL 57 1.843 -2.472 12.115 379 HG21 VAL 57 3HG2 VAL 57 0.256 -0.777 9.709 380 HG22 VAL 57 1HG2 VAL 57 1.514 -1.780 8.987 381 HG23 VAL 57 2HG2 VAL 57 0.655 -2.340 10.421 382 H CYS 58 H CYS 58 3.710 1.509 10.822 383 HA CYS 58 HA CYS 58 4.539 1.969 13.608 384 HB2 CYS 58 1HB CYS 58 6.819 1.889 12.860 385 HB3 CYS 58 2HB CYS 58 5.988 0.485 12.199 386 H ARG 59 H ARG 59 3.371 3.530 10.903 387 HA ARG 59 HA ARG 59 3.311 5.696 10.186 388 HB2 ARG 59 1HB ARG 59 3.619 6.089 13.165 389 HB3 ARG 59 2HB ARG 59 3.229 7.387 12.045 390 HG2 ARG 59 1HG ARG 59 1.149 6.800 12.805 391 HG3 ARG 59 2HG ARG 59 1.271 5.816 11.345 392 HD2 ARG 59 1HD ARG 59 0.583 4.205 12.793 393 HD3 ARG 59 2HD ARG 59 2.321 4.087 13.064 394 HE ARG 59 HE ARG 59 0.894 5.911 14.806 395 HH11 ARG 59 1HH1 ARG 59 2.178 2.710 14.337 396 HH12 ARG 59 2HH1 ARG 59 2.227 2.340 16.028 397 HH21 ARG 59 1HH2 ARG 59 0.954 5.436 17.037 398 HH22 ARG 59 2HH2 ARG 59 1.530 3.891 17.563 399 H LYS 60 H LYS 60 5.762 4.638 9.710 400 HA LYS 60 HA LYS 60 7.878 6.240 10.786 401 HB2 LYS 60 1HB LYS 60 7.630 4.101 8.735 402 HB3 LYS 60 2HB LYS 60 9.023 5.168 8.617 403 HG2 LYS 60 1HG LYS 60 8.420 3.993 11.270 404 HG3 LYS 60 2HG LYS 60 9.068 2.925 10.023 405 HD2 LYS 60 1HD LYS 60 11.085 4.003 9.955 406 HD3 LYS 60 2HD LYS 60 10.396 5.552 10.446 407 HE2 LYS 60 1HE LYS 60 11.525 4.983 12.355 408 HE3 LYS 60 2HE LYS 60 9.951 4.267 12.697 409 HZ1 LYS 60 3HZ LYS 60 12.405 2.890 11.771 410 HZ2 LYS 60 1HZ LYS 60 10.881 2.157 11.742 411 HZ3 LYS 60 2HZ LYS 60 11.557 2.644 13.214 412 H SER 61 H SER 61 8.232 8.287 10.269 413 HA SER 61 HA SER 61 6.978 9.842 8.444 414 HB2 SER 61 1HB SER 61 8.876 10.373 10.214 415 HB3 SER 61 2HB SER 61 9.908 10.324 8.784 416 HG SER 61 HG SER 61 8.216 11.815 7.881 417 H LEU 62 H LEU 62 6.606 9.300 6.383 418 HA LEU 62 HA LEU 62 8.638 8.028 4.766 419 HB2 LEU 62 1HB LEU 62 5.962 9.054 3.856 420 HB3 LEU 62 2HB LEU 62 6.967 7.827 3.089 421 HG LEU 62 HG LEU 62 5.643 7.470 5.774 422 HD11 LEU 62 1HD1 LEU 62 4.716 6.409 3.112 423 HD12 LEU 62 2HD1 LEU 62 4.006 7.802 3.927 424 HD13 LEU 62 3HD1 LEU 62 3.933 6.208 4.679 425 HD21 LEU 62 3HD2 LEU 62 6.027 5.006 4.820 426 HD22 LEU 62 1HD2 LEU 62 7.235 5.856 5.784 427 HD23 LEU 62 2HD2 LEU 62 7.374 5.823 4.026 428 H THR 63 H THR 63 9.388 10.588 5.673 429 HA THR 63 HA THR 63 10.103 11.798 3.177 430 HB THR 63 HB THR 63 7.870 12.780 3.443 431 HG1 THR 63 1HG THR 63 8.597 14.715 2.859 432 HG21 THR 63 3HG2 THR 63 8.965 13.678 6.102 433 HG22 THR 63 1HG2 THR 63 7.512 12.730 5.788 434 HG23 THR 63 2HG2 THR 63 7.568 14.435 5.338 435 H GLY 64 H GLY 64 11.805 13.283 3.372 436 HA2 GLY 64 1HA GLY 64 13.432 12.937 5.690 437 HA3 GLY 64 2HA GLY 64 13.787 13.975 4.317 438 H GLN 65 H GLN 65 14.618 15.486 5.894 439 HA GLN 65 HA GLN 65 12.721 16.729 7.697 440 HB2 GLN 65 1HB GLN 65 15.647 17.136 7.131 441 HB3 GLN 65 2HB GLN 65 14.742 18.268 8.128 442 HG2 GLN 65 1HG GLN 65 15.896 16.676 9.518 443 HG3 GLN 65 2HG GLN 65 14.154 16.442 9.651 444 HE21 GLN 65 1HE2 GLN 65 13.324 14.496 9.225 445 HE22 GLN 65 2HE2 GLN 65 14.214 13.151 8.606 446 H ASN 66 H ASN 66 14.564 17.625 4.802 447 HA ASN 66 HA ASN 66 12.617 19.775 4.331 448 HB2 ASN 66 1HB ASN 66 15.613 20.019 3.967 449 HB3 ASN 66 2HB ASN 66 14.425 21.245 3.534 450 HD21 ASN 66 1HD2 ASN 66 13.385 22.400 5.156 451 HD22 ASN 66 2HD2 ASN 66 13.979 22.439 6.778 452 H THR 67 H THR 67 11.665 18.187 2.901 453 HA THR 67 HA THR 67 12.732 18.404 0.226 454 HB THR 67 HB THR 67 12.523 15.905 -0.163 455 HG1 THR 67 1HG THR 67 13.055 15.558 2.571 456 HG21 THR 67 3HG2 THR 67 14.730 16.593 1.763 457 HG22 THR 67 1HG2 THR 67 14.683 17.234 0.121 458 HG23 THR 67 2HG2 THR 67 14.780 15.493 0.385 459 H ALA 68 H ALA 68 11.223 17.062 -1.313 460 HA ALA 68 HA ALA 68 8.486 16.885 -0.357 461 HB1 ALA 68 3HB ALA 68 7.900 18.341 -2.503 462 HB2 ALA 68 1HB ALA 68 8.170 19.064 -0.916 463 HB3 ALA 68 2HB ALA 68 9.463 19.061 -2.116 464 H THR 69 H THR 69 7.437 15.270 -1.336 465 HA THR 69 HA THR 69 8.703 14.039 -3.682 466 HB THR 69 HB THR 69 6.626 12.836 -1.844 467 HG1 THR 69 1HG THR 69 9.322 12.039 -1.866 468 HG21 THR 69 3HG2 THR 69 8.137 11.869 -4.220 469 HG22 THR 69 1HG2 THR 69 6.476 11.538 -3.729 470 HG23 THR 69 2HG2 THR 69 7.815 10.728 -2.914 471 H ASN 70 H ASN 70 5.386 14.451 -2.422 472 HA ASN 70 HA ASN 70 4.449 15.677 -4.814 473 HB2 ASN 70 1HB ASN 70 3.157 13.956 -5.775 474 HB3 ASN 70 2HB ASN 70 4.710 13.199 -5.434 475 HD21 ASN 70 1HD2 ASN 70 2.438 11.710 -5.820 476 HD22 ASN 70 2HD2 ASN 70 1.985 10.955 -4.334 477 HA PRO 71 HA PRO 71 1.328 16.995 -2.017 478 HB2 PRO 71 1HB PRO 71 -0.645 17.653 -3.761 479 HB3 PRO 71 2HB PRO 71 0.820 18.621 -3.559 480 HG2 PRO 71 1HG PRO 71 0.160 16.600 -5.666 481 HG3 PRO 71 2HG PRO 71 0.932 18.186 -5.841 482 HD2 PRO 71 1HD PRO 71 2.341 15.874 -5.826 483 HD3 PRO 71 2HD PRO 71 2.995 17.395 -5.184 484 HA PRO 72 HA PRO 72 -1.187 13.415 -1.295 485 HB2 PRO 72 1HB PRO 72 -2.693 14.449 0.713 486 HB3 PRO 72 2HB PRO 72 -1.014 13.942 0.934 487 HG2 PRO 72 1HG PRO 72 -2.123 16.690 0.505 488 HG3 PRO 72 2HG PRO 72 -0.866 16.155 1.636 489 HD2 PRO 72 1HD PRO 72 -0.290 17.371 -0.714 490 HD3 PRO 72 2HD PRO 72 0.768 16.143 0.010 491 H GLY 73 H GLY 73 -2.670 12.923 -2.802 492 HA2 GLY 73 1HA GLY 73 -4.520 13.090 -4.169 493 HA3 GLY 73 2HA GLY 73 -5.318 13.574 -2.680 494 H LEU 74 H LEU 74 -6.482 15.345 -2.967 495 HA LEU 74 HA LEU 74 -5.717 17.272 -5.013 496 HB2 LEU 74 1HB LEU 74 -8.183 16.803 -3.381 497 HB3 LEU 74 2HB LEU 74 -7.946 18.330 -4.229 498 HG LEU 74 HG LEU 74 -9.377 16.698 -5.442 499 HD11 LEU 74 1HD1 LEU 74 -8.031 16.856 -7.610 500 HD12 LEU 74 2HD1 LEU 74 -6.814 17.688 -6.644 501 HD13 LEU 74 3HD1 LEU 74 -8.437 18.361 -6.786 502 HD21 LEU 74 3HD2 LEU 74 -7.649 14.807 -4.647 503 HD22 LEU 74 1HD2 LEU 74 -7.013 15.129 -6.260 504 HD23 LEU 74 2HD2 LEU 74 -8.693 14.633 -6.059 505 H THR 75 H THR 75 -5.710 19.572 -4.555 506 HA THR 75 HA THR 75 -3.955 20.423 -2.687 507 HB THR 75 HB THR 75 -4.739 21.937 -4.393 508 HG1 THR 75 1HG THR 75 -3.945 23.041 -2.637 509 HG21 THR 75 3HG2 THR 75 -7.344 22.185 -2.898 510 HG22 THR 75 1HG2 THR 75 -7.132 21.127 -4.292 511 HG23 THR 75 2HG2 THR 75 -6.925 22.870 -4.467 512 H GLY 76 H GLY 76 -3.878 20.755 -0.545 513 HA2 GLY 76 1HA GLY 76 -4.536 20.438 1.653 514 HA3 GLY 76 2HA GLY 76 -5.724 21.652 1.204 515 H VAL 77 H VAL 77 -5.442 18.270 0.167 516 HA VAL 77 HA VAL 77 -8.176 17.733 0.314 517 HB VAL 77 HB VAL 77 -6.785 16.280 -0.975 518 HG11 VAL 77 1HG1 VAL 77 -4.739 16.562 0.386 519 HG12 VAL 77 2HG1 VAL 77 -5.417 15.458 1.584 520 HG13 VAL 77 3HG1 VAL 77 -5.055 14.881 -0.043 521 HG21 VAL 77 3HG2 VAL 77 -8.726 15.383 0.702 522 HG22 VAL 77 1HG2 VAL 77 -7.943 14.403 -0.539 523 HG23 VAL 77 2HG2 VAL 77 -7.383 14.324 1.132 524 H GLY 78 H GLY 78 -8.679 18.744 2.406 525 HA2 GLY 78 1HA GLY 78 -9.265 18.613 4.621 526 HA3 GLY 78 2HA GLY 78 -9.261 16.872 4.383 Start of MODEL 9 1 H1 GLY 1 H GLY 1 6.700 -37.668 -7.702 2 HA2 GLY 1 1HA GLY 1 5.056 -37.426 -10.061 3 HA3 GLY 1 2HA GLY 1 4.369 -36.647 -8.643 4 H SER 2 H SER 2 4.546 -34.668 -9.881 5 HA SER 2 HA SER 2 6.808 -33.551 -10.952 6 HB2 SER 2 1HB SER 2 4.351 -32.635 -10.710 7 HB3 SER 2 2HB SER 2 5.016 -31.810 -9.301 8 HG SER 2 HG SER 2 5.120 -30.634 -11.348 9 H SER 3 H SER 3 7.870 -31.474 -9.914 10 HA SER 3 HA SER 3 8.808 -32.203 -7.217 11 HB2 SER 3 1HB SER 3 10.409 -32.557 -9.256 12 HB3 SER 3 2HB SER 3 10.596 -30.805 -9.182 13 HG SER 3 HG SER 3 10.838 -32.210 -6.792 14 H GLY 4 H GLY 4 7.542 -30.746 -6.111 15 HA2 GLY 4 1HA GLY 4 7.801 -27.908 -6.855 16 HA3 GLY 4 2HA GLY 4 6.519 -28.583 -5.861 17 H SER 5 H SER 5 10.064 -28.851 -5.692 18 HA SER 5 HA SER 5 9.993 -28.467 -2.838 19 HB2 SER 5 1HB SER 5 11.580 -30.038 -3.973 20 HB3 SER 5 2HB SER 5 12.411 -28.637 -4.650 21 HG SER 5 HG SER 5 11.991 -28.904 -1.871 22 H SER 6 H SER 6 9.749 -26.503 -2.011 23 HA SER 6 HA SER 6 11.138 -24.251 -3.311 24 HB2 SER 6 1HB SER 6 8.523 -24.328 -3.167 25 HB3 SER 6 2HB SER 6 8.788 -23.850 -1.491 26 HG SER 6 HG SER 6 9.559 -22.472 -3.842 27 H GLY 7 H GLY 7 12.328 -22.850 -2.060 28 HA2 GLY 7 1HA GLY 7 13.077 -23.874 0.568 29 HA3 GLY 7 2HA GLY 7 13.932 -22.646 -0.353 30 H THR 8 H THR 8 13.650 -20.570 0.183 31 HA THR 8 HA THR 8 11.468 -19.937 2.062 32 HB THR 8 HB THR 8 12.912 -18.167 2.990 33 HG1 THR 8 1HG THR 8 15.147 -19.270 1.696 34 HG21 THR 8 3HG2 THR 8 14.513 -20.700 3.068 35 HG22 THR 8 1HG2 THR 8 12.901 -20.636 3.779 36 HG23 THR 8 2HG2 THR 8 14.168 -19.560 4.368 37 H GLU 9 H GLU 9 9.932 -18.974 0.866 38 HA GLU 9 HA GLU 9 10.566 -17.264 -1.357 39 HB2 GLU 9 1HB GLU 9 7.967 -17.969 0.005 40 HB3 GLU 9 2HB GLU 9 8.066 -16.878 -1.370 41 HG2 GLU 9 1HG GLU 9 8.930 -19.761 -1.347 42 HG3 GLU 9 2HG GLU 9 7.440 -19.132 -2.047 43 H GLU 10 H GLU 10 9.922 -15.037 -1.542 44 HA GLU 10 HA GLU 10 10.390 -13.579 0.937 45 HB2 GLU 10 1HB GLU 10 11.742 -12.842 -0.875 46 HB3 GLU 10 2HB GLU 10 10.365 -12.767 -1.965 47 HG2 GLU 10 1HG GLU 10 10.676 -10.553 -1.497 48 HG3 GLU 10 2HG GLU 10 9.485 -10.989 -0.273 49 H HIS 11 H HIS 11 8.110 -13.355 -1.800 50 HA HIS 11 HA HIS 11 6.071 -12.414 0.105 51 HB2 HIS 11 1HB HIS 11 6.543 -10.462 -1.087 52 HB3 HIS 11 2HB HIS 11 6.805 -11.330 -2.596 53 HD2 HIS 11 2HD HIS 11 3.540 -11.166 -0.347 54 HE1 HIS 11 1HE HIS 11 2.583 -10.176 -4.360 55 HE2 HIS 11 2HE HIS 11 1.700 -10.449 -2.017 56 H VAL 12 H VAL 12 5.421 -14.652 0.219 57 HA VAL 12 HA VAL 12 4.020 -15.602 -2.193 58 HB VAL 12 HB VAL 12 5.763 -17.135 -1.387 59 HG11 VAL 12 1HG1 VAL 12 4.137 -17.614 1.085 60 HG12 VAL 12 2HG1 VAL 12 5.806 -18.075 0.743 61 HG13 VAL 12 3HG1 VAL 12 5.402 -16.385 1.051 62 HG21 VAL 12 3HG2 VAL 12 4.534 -19.029 -1.752 63 HG22 VAL 12 1HG2 VAL 12 3.228 -18.520 -0.683 64 HG23 VAL 12 2HG2 VAL 12 3.375 -17.815 -2.292 65 H GLY 13 H GLY 13 3.754 -15.462 1.357 66 HA2 GLY 13 1HA GLY 13 1.296 -14.411 1.658 67 HA3 GLY 13 2HA GLY 13 0.924 -16.079 1.247 68 H SER 14 H SER 14 3.542 -14.737 3.236 69 HA SER 14 HA SER 14 2.613 -16.458 5.435 70 HB2 SER 14 1HB SER 14 4.927 -16.840 4.490 71 HB3 SER 14 2HB SER 14 5.367 -15.252 5.118 72 HG SER 14 HG SER 14 4.890 -17.631 6.464 73 H GLY 15 H GLY 15 1.374 -15.315 6.787 74 HA2 GLY 15 1HA GLY 15 0.552 -13.461 7.930 75 HA3 GLY 15 2HA GLY 15 2.158 -13.558 8.638 76 H LEU 16 H LEU 16 1.182 -12.596 5.365 77 HA LEU 16 HA LEU 16 2.501 -10.008 5.846 78 HB2 LEU 16 1HB LEU 16 2.542 -10.003 3.254 79 HB3 LEU 16 2HB LEU 16 3.719 -10.962 4.148 80 HG LEU 16 HG LEU 16 2.518 -12.988 3.664 81 HD11 LEU 16 1HD1 LEU 16 0.283 -12.712 3.607 82 HD12 LEU 16 2HD1 LEU 16 0.562 -12.531 1.876 83 HD13 LEU 16 3HD1 LEU 16 0.388 -11.102 2.895 84 HD21 LEU 16 3HD2 LEU 16 3.547 -13.103 1.701 85 HD22 LEU 16 1HD2 LEU 16 3.735 -11.350 1.733 86 HD23 LEU 16 2HD2 LEU 16 2.326 -12.072 0.956 87 H GLU 17 H GLU 17 -0.479 -11.370 5.626 88 HA GLU 17 HA GLU 17 -2.056 -9.983 3.922 89 HB2 GLU 17 1HB GLU 17 -3.857 -10.111 5.604 90 HB3 GLU 17 2HB GLU 17 -2.963 -11.618 5.468 91 HG2 GLU 17 1HG GLU 17 -1.636 -10.908 7.467 92 HG3 GLU 17 2HG GLU 17 -2.756 -9.558 7.646 93 H CYS 18 H CYS 18 -2.960 -7.974 3.741 94 HA CYS 18 HA CYS 18 -1.549 -5.753 4.618 95 HB2 CYS 18 1HB CYS 18 -2.912 -5.352 2.775 96 HB3 CYS 18 2HB CYS 18 -4.307 -6.137 3.509 97 HA PRO 19 HA PRO 19 -2.800 -5.469 8.864 98 HB2 PRO 19 1HB PRO 19 -1.658 -3.057 9.365 99 HB3 PRO 19 2HB PRO 19 -0.727 -4.555 9.243 100 HG2 PRO 19 1HG PRO 19 -1.149 -2.416 7.192 101 HG3 PRO 19 2HG PRO 19 0.339 -3.281 7.616 102 HD2 PRO 19 1HD PRO 19 -1.151 -3.920 5.446 103 HD3 PRO 19 2HD PRO 19 -0.231 -5.130 6.363 104 H VAL 20 H VAL 20 -3.366 -2.921 6.496 105 HA VAL 20 HA VAL 20 -5.003 -1.214 7.930 106 HB VAL 20 HB VAL 20 -5.567 -1.929 5.061 107 HG11 VAL 20 1HG1 VAL 20 -7.120 -0.356 5.758 108 HG12 VAL 20 2HG1 VAL 20 -5.964 0.472 6.804 109 HG13 VAL 20 3HG1 VAL 20 -5.852 0.646 5.052 110 HG21 VAL 20 3HG2 VAL 20 -3.506 -1.357 4.459 111 HG22 VAL 20 1HG2 VAL 20 -3.747 0.231 5.187 112 HG23 VAL 20 2HG2 VAL 20 -3.068 -1.084 6.146 113 H CYS 21 H CYS 21 -5.964 -4.065 6.025 114 HA CYS 21 HA CYS 21 -8.585 -3.986 7.363 115 HB2 CYS 21 1HB CYS 21 -9.273 -5.545 5.480 116 HB3 CYS 21 2HB CYS 21 -8.898 -3.890 5.011 117 H LYS 22 H LYS 22 -5.659 -5.722 7.102 118 HA LYS 22 HA LYS 22 -4.885 -7.623 8.081 119 HB2 LYS 22 1HB LYS 22 -7.423 -7.557 9.718 120 HB3 LYS 22 2HB LYS 22 -5.921 -8.375 10.126 121 HG2 LYS 22 1HG LYS 22 -5.815 -5.446 9.679 122 HG3 LYS 22 2HG LYS 22 -6.579 -6.032 11.159 123 HD2 LYS 22 1HD LYS 22 -4.564 -7.274 11.727 124 HD3 LYS 22 2HD LYS 22 -3.802 -6.757 10.221 125 HE2 LYS 22 1HE LYS 22 -3.533 -4.584 10.952 126 HE3 LYS 22 2HE LYS 22 -4.844 -4.705 12.124 127 HZ1 LYS 22 3HZ LYS 22 -2.046 -5.455 12.386 128 HZ2 LYS 22 1HZ LYS 22 -3.165 -6.494 13.116 129 HZ3 LYS 22 2HZ LYS 22 -3.122 -4.859 13.548 130 H GLU 23 H GLU 23 -6.279 -7.908 5.675 131 HA GLU 23 HA GLU 23 -7.836 -10.371 6.036 132 HB2 GLU 23 1HB GLU 23 -7.602 -8.484 3.689 133 HB3 GLU 23 2HB GLU 23 -8.483 -10.004 3.637 134 HG2 GLU 23 1HG GLU 23 -9.162 -8.083 5.791 135 HG3 GLU 23 2HG GLU 23 -9.674 -7.704 4.147 136 H ASP 24 H ASP 24 -6.024 -9.385 3.181 137 HA ASP 24 HA ASP 24 -3.752 -10.945 3.470 138 HB2 ASP 24 1HB ASP 24 -4.513 -12.832 1.834 139 HB3 ASP 24 2HB ASP 24 -4.883 -12.972 3.550 140 H TYR 25 H TYR 25 -2.757 -11.511 1.266 141 HA TYR 25 HA TYR 25 -3.319 -9.268 -0.535 142 HB2 TYR 25 1HB TYR 25 -0.888 -11.005 -0.128 143 HB3 TYR 25 2HB TYR 25 -1.046 -9.918 -1.503 144 HD1 TYR 25 1HD TYR 25 -2.349 -7.584 -0.221 145 HD2 TYR 25 2HD TYR 25 0.835 -10.060 1.135 146 HE1 TYR 25 1HE TYR 25 -1.495 -5.727 1.146 147 HE2 TYR 25 2HE TYR 25 1.697 -8.209 2.507 148 HH TYR 25 HH TYR 25 -0.094 -5.252 2.939 149 H ALA 26 H ALA 26 -2.353 -10.024 -2.893 150 HA ALA 26 HA ALA 26 -3.207 -12.630 -3.712 151 HB1 ALA 26 3HB ALA 26 -4.819 -10.640 -5.144 152 HB2 ALA 26 1HB ALA 26 -5.245 -12.255 -4.575 153 HB3 ALA 26 2HB ALA 26 -5.273 -10.890 -3.458 154 H LEU 27 H LEU 27 -2.124 -13.206 -5.496 155 HA LEU 27 HA LEU 27 -0.031 -11.934 -6.581 156 HB2 LEU 27 1HB LEU 27 -1.995 -13.531 -8.216 157 HB3 LEU 27 2HB LEU 27 -0.296 -13.254 -8.595 158 HG LEU 27 HG LEU 27 -1.227 -14.765 -6.159 159 HD11 LEU 27 1HD1 LEU 27 -0.026 -16.411 -8.174 160 HD12 LEU 27 2HD1 LEU 27 -1.436 -15.583 -8.834 161 HD13 LEU 27 3HD1 LEU 27 -1.595 -16.574 -7.384 162 HD21 LEU 27 3HD2 LEU 27 0.988 -13.940 -5.890 163 HD22 LEU 27 1HD2 LEU 27 1.433 -14.418 -7.528 164 HD23 LEU 27 2HD2 LEU 27 1.118 -15.650 -6.306 165 H GLY 28 H GLY 28 -3.370 -11.586 -7.759 166 HA2 GLY 28 1HA GLY 28 -2.609 -9.580 -9.690 167 HA3 GLY 28 2HA GLY 28 -4.244 -10.112 -9.323 168 H GLU 29 H GLU 29 -3.833 -9.615 -6.424 169 HA GLU 29 HA GLU 29 -4.882 -7.022 -6.297 170 HB2 GLU 29 1HB GLU 29 -3.851 -8.986 -4.313 171 HB3 GLU 29 2HB GLU 29 -4.040 -7.321 -3.784 172 HG2 GLU 29 1HG GLU 29 -6.410 -7.454 -4.658 173 HG3 GLU 29 2HG GLU 29 -6.153 -9.191 -4.805 174 H SER 30 H SER 30 -3.902 -5.150 -6.629 175 HA SER 30 HA SER 30 -1.098 -4.868 -6.842 176 HB2 SER 30 1HB SER 30 -2.710 -3.426 -8.047 177 HB3 SER 30 2HB SER 30 -3.189 -2.701 -6.513 178 HG SER 30 HG SER 30 -0.679 -2.395 -6.455 179 H VAL 31 H VAL 31 0.206 -5.096 -5.142 180 HA VAL 31 HA VAL 31 -0.596 -3.940 -2.562 181 HB VAL 31 HB VAL 31 1.596 -5.292 -1.887 182 HG11 VAL 31 1HG1 VAL 31 0.135 -7.197 -1.317 183 HG12 VAL 31 2HG1 VAL 31 -0.591 -5.640 -0.913 184 HG13 VAL 31 3HG1 VAL 31 -1.122 -6.515 -2.350 185 HG21 VAL 31 3HG2 VAL 31 0.535 -6.902 -4.204 186 HG22 VAL 31 1HG2 VAL 31 2.012 -5.940 -4.261 187 HG23 VAL 31 2HG2 VAL 31 1.891 -7.305 -3.151 188 H ARG 32 H ARG 32 0.828 -2.621 -1.383 189 HA ARG 32 HA ARG 32 3.027 -1.452 -2.958 190 HB2 ARG 32 1HB ARG 32 1.596 0.334 -2.968 191 HB3 ARG 32 2HB ARG 32 0.797 -0.161 -1.482 192 HG2 ARG 32 1HG ARG 32 2.258 0.956 -0.155 193 HG3 ARG 32 2HG ARG 32 3.609 0.735 -1.269 194 HD2 ARG 32 1HD ARG 32 2.596 2.399 -2.781 195 HD3 ARG 32 2HD ARG 32 1.300 2.646 -1.611 196 HE ARG 32 HE ARG 32 3.575 3.106 -0.188 197 HH11 ARG 32 1HH1 ARG 32 2.247 4.368 -3.149 198 HH12 ARG 32 2HH1 ARG 32 2.976 5.929 -2.963 199 HH21 ARG 32 1HH2 ARG 32 4.540 5.156 0.068 200 HH22 ARG 32 2HH2 ARG 32 4.281 6.376 -1.133 201 H GLN 33 H GLN 33 4.953 -1.215 -1.962 202 HA GLN 33 HA GLN 33 5.134 -2.163 0.810 203 HB2 GLN 33 1HB GLN 33 6.434 -3.343 -0.988 204 HB3 GLN 33 2HB GLN 33 7.370 -1.869 -1.199 205 HG2 GLN 33 1HG GLN 33 8.540 -2.169 0.710 206 HG3 GLN 33 2HG GLN 33 7.194 -2.942 1.545 207 HE21 GLN 33 1HE2 GLN 33 8.729 -4.492 2.298 208 HE22 GLN 33 2HE2 GLN 33 9.224 -5.795 1.278 209 H LEU 34 H LEU 34 6.087 -0.966 2.402 210 HA LEU 34 HA LEU 34 6.539 1.858 1.773 211 HB2 LEU 34 1HB LEU 34 5.875 0.362 4.279 212 HB3 LEU 34 2HB LEU 34 6.549 1.989 4.357 213 HG LEU 34 HG LEU 34 3.899 1.127 3.222 214 HD11 LEU 34 1HD1 LEU 34 4.217 1.584 5.694 215 HD12 LEU 34 2HD1 LEU 34 2.959 2.511 4.878 216 HD13 LEU 34 3HD1 LEU 34 4.511 3.264 5.244 217 HD21 LEU 34 3HD2 LEU 34 3.911 3.825 2.965 218 HD22 LEU 34 1HD2 LEU 34 4.239 2.696 1.650 219 HD23 LEU 34 2HD2 LEU 34 5.577 3.437 2.530 220 HA PRO 35 HA PRO 35 10.869 1.761 2.474 221 HB2 PRO 35 1HB PRO 35 11.293 4.068 3.840 222 HB3 PRO 35 2HB PRO 35 10.882 4.031 2.121 223 HG2 PRO 35 1HG PRO 35 9.113 4.541 4.481 224 HG3 PRO 35 2HG PRO 35 9.164 5.380 2.920 225 HD2 PRO 35 1HD PRO 35 7.303 3.501 3.504 226 HD3 PRO 35 2HD PRO 35 7.928 3.748 1.860 227 H CYS 36 H CYS 36 8.761 1.122 4.879 228 HA CYS 36 HA CYS 36 10.856 0.930 6.941 229 HB2 CYS 36 1HB CYS 36 8.956 0.773 8.563 230 HB3 CYS 36 2HB CYS 36 9.045 2.311 7.710 231 H ASN 37 H ASN 37 9.751 -0.900 4.629 232 HA ASN 37 HA ASN 37 9.833 -3.157 4.278 233 HB2 ASN 37 1HB ASN 37 10.116 -3.814 7.170 234 HB3 ASN 37 2HB ASN 37 10.920 -4.522 5.772 235 HD21 ASN 37 1HD2 ASN 37 11.669 -3.110 8.451 236 HD22 ASN 37 2HD2 ASN 37 12.984 -2.094 7.978 237 H HIS 38 H HIS 38 7.421 -1.690 4.852 238 HA HIS 38 HA HIS 38 5.756 -3.909 5.836 239 HB2 HIS 38 1HB HIS 38 5.532 -0.971 6.460 240 HB3 HIS 38 2HB HIS 38 4.154 -2.057 6.618 241 HD2 HIS 38 2HD HIS 38 5.646 -4.556 8.113 242 HE1 HIS 38 1HE HIS 38 6.769 -1.634 10.976 243 HE2 HIS 38 2HE HIS 38 6.585 -4.096 10.479 244 H LEU 39 H LEU 39 4.276 -4.578 4.427 245 HA LEU 39 HA LEU 39 3.793 -2.963 2.036 246 HB2 LEU 39 1HB LEU 39 3.488 -5.861 2.704 247 HB3 LEU 39 2HB LEU 39 2.604 -5.171 1.344 248 HG LEU 39 HG LEU 39 5.547 -4.744 1.469 249 HD11 LEU 39 1HD1 LEU 39 4.919 -7.144 0.016 250 HD12 LEU 39 2HD1 LEU 39 4.481 -7.314 1.715 251 HD13 LEU 39 3HD1 LEU 39 6.130 -6.874 1.270 252 HD21 LEU 39 3HD2 LEU 39 5.227 -5.078 -1.004 253 HD22 LEU 39 1HD2 LEU 39 4.398 -3.682 -0.315 254 HD23 LEU 39 2HD2 LEU 39 3.491 -5.146 -0.694 255 H PHE 40 H PHE 40 1.618 -2.788 1.175 256 HA PHE 40 HA PHE 40 -0.622 -3.336 2.896 257 HB2 PHE 40 1HB PHE 40 0.012 -0.444 2.289 258 HB3 PHE 40 2HB PHE 40 -1.325 -1.057 3.255 259 HD1 PHE 40 2HD PHE 40 2.381 -0.891 3.135 260 HD2 PHE 40 1HD PHE 40 -1.097 -1.314 5.551 261 HE1 PHE 40 2HE PHE 40 3.770 -0.716 5.159 262 HE2 PHE 40 1HE PHE 40 0.285 -1.138 7.579 263 HZ PHE 40 HZ PHE 40 2.722 -0.840 7.384 264 H HIS 41 H HIS 41 -2.577 -3.272 1.819 265 HA HIS 41 HA HIS 41 -2.624 -3.722 -0.901 266 HB2 HIS 41 1HB HIS 41 -4.766 -2.807 1.007 267 HB3 HIS 41 2HB HIS 41 -5.113 -3.086 -0.697 268 HD2 HIS 41 2HD HIS 41 -3.618 -5.909 -1.167 269 HE1 HIS 41 1HE HIS 41 -5.837 -7.253 2.189 270 HE2 HIS 41 2HE HIS 41 -4.431 -7.939 0.215 271 H ASP 42 H ASP 42 -2.736 -2.504 -2.700 272 HA ASP 42 HA ASP 42 -1.982 0.196 -2.646 273 HB2 ASP 42 1HB ASP 42 -1.553 -1.213 -4.584 274 HB3 ASP 42 2HB ASP 42 -3.283 -1.399 -4.864 275 H SER 43 H SER 43 -4.930 -1.156 -1.899 276 HA SER 43 HA SER 43 -6.388 1.300 -2.623 277 HB2 SER 43 1HB SER 43 -7.378 -0.662 -3.652 278 HB3 SER 43 2HB SER 43 -7.431 -1.494 -2.097 279 HG SER 43 HG SER 43 -8.671 0.851 -1.851 280 H CYS 44 H CYS 44 -4.882 -0.160 -0.094 281 HA CYS 44 HA CYS 44 -6.771 0.920 1.891 282 HB2 CYS 44 1HB CYS 44 -4.644 -1.212 2.149 283 HB3 CYS 44 2HB CYS 44 -5.518 -0.536 3.520 284 H ILE 45 H ILE 45 -3.473 0.981 0.736 285 HA ILE 45 HA ILE 45 -2.615 2.767 2.863 286 HB ILE 45 HB ILE 45 -1.207 0.909 1.627 287 HG12 ILE 45 1HG1 ILE 45 0.828 2.080 2.287 288 HG13 ILE 45 2HG1 ILE 45 -0.031 3.617 2.292 289 HG21 ILE 45 1HG2 ILE 45 -0.749 3.338 -0.100 290 HG22 ILE 45 2HG2 ILE 45 0.209 1.858 -0.137 291 HG23 ILE 45 3HG2 ILE 45 -1.490 1.820 -0.607 292 HD11 ILE 45 3HD1 ILE 45 0.416 2.443 4.526 293 HD12 ILE 45 1HD1 ILE 45 -1.194 3.099 4.229 294 HD13 ILE 45 2HD1 ILE 45 -0.901 1.368 4.058 295 H VAL 46 H VAL 46 -3.070 2.861 -0.657 296 HA VAL 46 HA VAL 46 -2.215 5.348 -1.316 297 HB VAL 46 HB VAL 46 -4.465 3.677 -2.286 298 HG11 VAL 46 1HG1 VAL 46 -4.261 6.627 -2.748 299 HG12 VAL 46 2HG1 VAL 46 -4.924 5.566 -3.992 300 HG13 VAL 46 3HG1 VAL 46 -5.686 5.648 -2.403 301 HG21 VAL 46 3HG2 VAL 46 -2.849 4.915 -4.299 302 HG22 VAL 46 1HG2 VAL 46 -1.815 4.255 -3.031 303 HG23 VAL 46 2HG2 VAL 46 -2.969 3.211 -3.861 304 HA PRO 47 HA PRO 47 -6.356 7.387 0.120 305 HB2 PRO 47 1HB PRO 47 -8.029 5.872 1.629 306 HB3 PRO 47 2HB PRO 47 -8.114 5.930 -0.136 307 HG2 PRO 47 1HG PRO 47 -6.840 3.878 1.633 308 HG3 PRO 47 2HG PRO 47 -7.832 3.643 0.182 309 HD2 PRO 47 1HD PRO 47 -5.129 3.477 0.142 310 HD3 PRO 47 2HD PRO 47 -6.070 4.066 -1.243 311 H TRP 48 H TRP 48 -4.307 5.428 1.995 312 HA TRP 48 HA TRP 48 -5.001 6.682 4.525 313 HB2 TRP 48 1HB TRP 48 -4.427 4.328 4.585 314 HB3 TRP 48 2HB TRP 48 -2.884 4.648 3.799 315 HD1 TRP 48 HD TRP 48 -0.879 5.369 5.314 316 HE1 TRP 48 1HE TRP 48 -0.565 5.617 7.857 317 HE3 TRP 48 3HE TRP 48 -5.769 5.042 6.771 318 HZ2 TRP 48 2HZ TRP 48 -2.177 5.667 10.174 319 HZ3 TRP 48 3HZ TRP 48 -6.298 5.199 9.169 320 HH2 TRP 48 HH TRP 48 -4.537 5.504 10.833 321 H LEU 49 H LEU 49 -2.004 6.327 2.615 322 HA LEU 49 HA LEU 49 -0.478 8.193 3.987 323 HB2 LEU 49 1HB LEU 49 -0.283 7.786 1.019 324 HB3 LEU 49 2HB LEU 49 1.005 8.174 2.157 325 HG LEU 49 HG LEU 49 -0.429 5.529 1.921 326 HD11 LEU 49 1HD1 LEU 49 1.018 5.631 0.106 327 HD12 LEU 49 2HD1 LEU 49 1.978 4.825 1.346 328 HD13 LEU 49 3HD1 LEU 49 2.238 6.535 1.002 329 HD21 LEU 49 3HD2 LEU 49 0.526 6.471 4.219 330 HD22 LEU 49 1HD2 LEU 49 2.035 5.869 3.532 331 HD23 LEU 49 2HD2 LEU 49 0.671 4.774 3.759 332 H GLU 50 H GLU 50 -2.861 8.659 1.457 333 HA GLU 50 HA GLU 50 -2.240 11.375 0.911 334 HB2 GLU 50 1HB GLU 50 -4.656 9.656 0.403 335 HB3 GLU 50 2HB GLU 50 -4.649 11.368 -0.000 336 HG2 GLU 50 1HG GLU 50 -3.992 9.525 -1.760 337 HG3 GLU 50 2HG GLU 50 -3.205 11.103 -1.731 338 H GLN 51 H GLN 51 -3.329 10.023 3.685 339 HA GLN 51 HA GLN 51 -4.751 12.480 4.470 340 HB2 GLN 51 1HB GLN 51 -5.386 9.615 5.025 341 HB3 GLN 51 2HB GLN 51 -5.790 10.822 6.239 342 HG2 GLN 51 1HG GLN 51 -6.629 11.331 3.440 343 HG3 GLN 51 2HG GLN 51 -7.492 10.098 4.357 344 HE21 GLN 51 1HE2 GLN 51 -9.055 10.726 5.683 345 HE22 GLN 51 2HE2 GLN 51 -9.370 12.356 6.162 346 H HIS 52 H HIS 52 -2.613 9.860 5.470 347 HA HIS 52 HA HIS 52 -1.737 11.527 7.737 348 HB2 HIS 52 1HB HIS 52 -1.336 8.548 7.563 349 HB3 HIS 52 2HB HIS 52 -1.252 9.582 8.986 350 HD2 HIS 52 2HD HIS 52 -4.073 8.238 6.562 351 HE1 HIS 52 1HE HIS 52 -5.739 9.050 10.378 352 HE2 HIS 52 2HE HIS 52 -6.148 8.063 8.097 353 H ASP 53 H ASP 53 -0.809 9.830 4.877 354 HA ASP 53 HA ASP 53 1.165 9.598 3.765 355 HB2 ASP 53 1HB ASP 53 0.900 12.191 4.221 356 HB3 ASP 53 2HB ASP 53 2.316 11.930 5.236 357 H SER 54 H SER 54 0.924 8.095 6.150 358 HA SER 54 HA SER 54 3.738 7.612 6.678 359 HB2 SER 54 1HB SER 54 1.854 7.983 9.011 360 HB3 SER 54 2HB SER 54 3.603 7.762 9.059 361 HG SER 54 HG SER 54 3.884 9.812 8.605 362 H CYS 55 H CYS 55 3.890 5.656 8.280 363 HA CYS 55 HA CYS 55 2.329 3.545 7.087 364 HB2 CYS 55 1HB CYS 55 4.743 3.267 7.538 365 HB3 CYS 55 2HB CYS 55 4.426 3.415 9.264 366 HA PRO 56 HA PRO 56 -0.796 3.691 10.253 367 HB2 PRO 56 1HB PRO 56 -2.204 1.549 9.358 368 HB3 PRO 56 2HB PRO 56 -2.283 3.139 8.590 369 HG2 PRO 56 1HG PRO 56 -0.698 0.728 7.794 370 HG3 PRO 56 2HG PRO 56 -1.625 1.844 6.774 371 HD2 PRO 56 1HD PRO 56 1.068 1.991 7.022 372 HD3 PRO 56 2HD PRO 56 0.053 3.425 6.763 373 H VAL 57 H VAL 57 1.751 1.657 10.024 374 HA VAL 57 HA VAL 57 0.797 -0.078 12.208 375 HB VAL 57 HB VAL 57 2.985 -0.607 10.193 376 HG11 VAL 57 1HG1 VAL 57 3.447 -2.633 11.275 377 HG12 VAL 57 2HG1 VAL 57 3.339 -1.450 12.581 378 HG13 VAL 57 3HG1 VAL 57 1.989 -2.540 12.262 379 HG21 VAL 57 3HG2 VAL 57 1.544 -1.913 9.045 380 HG22 VAL 57 1HG2 VAL 57 0.700 -2.443 10.500 381 HG23 VAL 57 2HG2 VAL 57 0.333 -0.870 9.792 382 H CYS 58 H CYS 58 3.822 1.342 10.951 383 HA CYS 58 HA CYS 58 4.733 1.645 13.733 384 HB2 CYS 58 1HB CYS 58 6.998 1.636 12.888 385 HB3 CYS 58 2HB CYS 58 6.148 0.235 12.246 386 H ARG 59 H ARG 59 3.668 3.343 11.001 387 HA ARG 59 HA ARG 59 3.442 5.557 10.534 388 HB2 ARG 59 1HB ARG 59 4.348 6.025 13.379 389 HB3 ARG 59 2HB ARG 59 3.447 7.139 12.359 390 HG2 ARG 59 1HG ARG 59 2.309 4.456 13.008 391 HG3 ARG 59 2HG ARG 59 2.212 5.774 14.178 392 HD2 ARG 59 1HD ARG 59 1.366 7.064 11.988 393 HD3 ARG 59 2HD ARG 59 0.848 5.430 11.576 394 HE ARG 59 HE ARG 59 -0.090 5.708 14.076 395 HH11 ARG 59 1HH1 ARG 59 -0.295 7.751 11.264 396 HH12 ARG 59 2HH1 ARG 59 -1.828 8.428 11.707 397 HH21 ARG 59 1HH2 ARG 59 -2.107 6.591 14.670 398 HH22 ARG 59 2HH2 ARG 59 -2.857 7.768 13.645 399 H LYS 60 H LYS 60 5.955 4.210 10.050 400 HA LYS 60 HA LYS 60 8.188 5.754 10.740 401 HB2 LYS 60 1HB LYS 60 7.562 3.737 8.652 402 HB3 LYS 60 2HB LYS 60 8.971 4.753 8.378 403 HG2 LYS 60 1HG LYS 60 8.724 3.512 11.050 404 HG3 LYS 60 2HG LYS 60 9.077 2.438 9.694 405 HD2 LYS 60 1HD LYS 60 10.643 4.914 10.422 406 HD3 LYS 60 2HD LYS 60 11.124 3.255 10.786 407 HE2 LYS 60 1HE LYS 60 10.898 2.871 8.246 408 HE3 LYS 60 2HE LYS 60 10.944 4.630 8.127 409 HZ1 LYS 60 3HZ LYS 60 13.055 4.433 9.522 410 HZ2 LYS 60 1HZ LYS 60 13.147 3.983 7.893 411 HZ3 LYS 60 2HZ LYS 60 13.046 2.796 9.094 412 H SER 61 H SER 61 8.491 7.835 10.324 413 HA SER 61 HA SER 61 7.096 9.480 8.665 414 HB2 SER 61 1HB SER 61 9.065 9.948 10.364 415 HB3 SER 61 2HB SER 61 10.039 9.965 8.894 416 HG SER 61 HG SER 61 8.266 11.477 8.140 417 H LEU 62 H LEU 62 6.655 9.193 6.581 418 HA LEU 62 HA LEU 62 8.633 8.013 4.802 419 HB2 LEU 62 1HB LEU 62 5.881 8.952 4.052 420 HB3 LEU 62 2HB LEU 62 6.890 7.762 3.231 421 HG LEU 62 HG LEU 62 5.689 7.334 5.962 422 HD11 LEU 62 1HD1 LEU 62 3.872 7.591 4.415 423 HD12 LEU 62 2HD1 LEU 62 4.067 5.877 4.781 424 HD13 LEU 62 3HD1 LEU 62 4.656 6.524 3.250 425 HD21 LEU 62 3HD2 LEU 62 7.375 5.798 5.834 426 HD22 LEU 62 1HD2 LEU 62 7.321 5.718 4.073 427 HD23 LEU 62 2HD2 LEU 62 6.088 4.897 5.031 428 H THR 63 H THR 63 9.303 10.562 5.800 429 HA THR 63 HA THR 63 9.694 11.959 3.302 430 HB THR 63 HB THR 63 7.533 12.882 4.027 431 HG1 THR 63 1HG THR 63 9.676 14.734 4.366 432 HG21 THR 63 3HG2 THR 63 7.638 12.598 6.402 433 HG22 THR 63 1HG2 THR 63 7.507 14.326 6.077 434 HG23 THR 63 2HG2 THR 63 9.066 13.627 6.517 435 H GLY 64 H GLY 64 11.364 13.525 3.392 436 HA2 GLY 64 1HA GLY 64 12.712 14.758 5.275 437 HA3 GLY 64 2HA GLY 64 13.172 13.106 5.659 438 H GLN 65 H GLN 65 12.841 14.988 2.646 439 HA GLN 65 HA GLN 65 15.595 14.183 1.977 440 HB2 GLN 65 1HB GLN 65 13.119 14.221 0.290 441 HB3 GLN 65 2HB GLN 65 14.692 14.448 -0.462 442 HG2 GLN 65 1HG GLN 65 15.286 12.275 0.889 443 HG3 GLN 65 2HG GLN 65 13.539 12.041 0.842 444 HE21 GLN 65 1HE2 GLN 65 14.890 10.154 -0.348 445 HE22 GLN 65 2HE2 GLN 65 14.851 10.296 -2.069 446 H ASN 66 H ASN 66 13.061 16.564 1.192 447 HA ASN 66 HA ASN 66 15.061 18.683 1.359 448 HB2 ASN 66 1HB ASN 66 14.035 19.672 -0.788 449 HB3 ASN 66 2HB ASN 66 15.174 18.340 -0.963 450 HD21 ASN 66 1HD2 ASN 66 12.125 19.495 -1.727 451 HD22 ASN 66 2HD2 ASN 66 11.451 18.039 -2.371 452 H THR 67 H THR 67 13.841 20.883 0.930 453 HA THR 67 HA THR 67 12.020 21.241 3.010 454 HB THR 67 HB THR 67 11.503 23.454 1.893 455 HG1 THR 67 1HG THR 67 11.938 23.445 -0.183 456 HG21 THR 67 3HG2 THR 67 13.829 22.547 3.182 457 HG22 THR 67 1HG2 THR 67 13.247 24.207 3.058 458 HG23 THR 67 2HG2 THR 67 14.374 23.575 1.858 459 H ALA 68 H ALA 68 11.270 21.616 -0.460 460 HA ALA 68 HA ALA 68 8.614 21.845 -0.487 461 HB1 ALA 68 3HB ALA 68 9.733 21.731 -2.561 462 HB2 ALA 68 1HB ALA 68 10.301 20.090 -2.252 463 HB3 ALA 68 2HB ALA 68 8.589 20.389 -2.557 464 H THR 69 H THR 69 6.816 20.721 0.010 465 HA THR 69 HA THR 69 7.190 18.022 1.126 466 HB THR 69 HB THR 69 4.942 19.964 1.690 467 HG1 THR 69 1HG THR 69 6.389 20.828 2.971 468 HG21 THR 69 3HG2 THR 69 4.175 18.447 3.309 469 HG22 THR 69 1HG2 THR 69 5.670 17.513 3.270 470 HG23 THR 69 2HG2 THR 69 4.548 17.440 1.911 471 H ASN 70 H ASN 70 5.920 16.340 0.459 472 HA ASN 70 HA ASN 70 4.779 16.494 -2.131 473 HB2 ASN 70 1HB ASN 70 5.802 14.434 -1.279 474 HB3 ASN 70 2HB ASN 70 4.551 14.313 -0.044 475 HD21 ASN 70 1HD2 ASN 70 2.604 13.465 -0.554 476 HD22 ASN 70 2HD2 ASN 70 2.204 12.828 -2.110 477 HA PRO 71 HA PRO 71 0.717 17.894 -1.101 478 HB2 PRO 71 1HB PRO 71 -0.493 17.245 -3.442 479 HB3 PRO 71 2HB PRO 71 0.595 18.627 -3.275 480 HG2 PRO 71 1HG PRO 71 1.156 15.896 -4.365 481 HG3 PRO 71 2HG PRO 71 1.662 17.476 -4.991 482 HD2 PRO 71 1HD PRO 71 3.312 15.881 -3.553 483 HD3 PRO 71 2HD PRO 71 3.402 17.653 -3.489 484 HA PRO 72 HA PRO 72 -1.762 14.487 0.154 485 HB2 PRO 72 1HB PRO 72 -4.285 15.317 -0.406 486 HB3 PRO 72 2HB PRO 72 -3.320 15.997 0.909 487 HG2 PRO 72 1HG PRO 72 -3.799 17.076 -1.842 488 HG3 PRO 72 2HG PRO 72 -3.792 17.933 -0.290 489 HD2 PRO 72 1HD PRO 72 -1.685 17.980 -1.988 490 HD3 PRO 72 2HD PRO 72 -1.492 18.058 -0.225 491 H GLY 73 H GLY 73 -1.243 15.090 -3.018 492 HA2 GLY 73 1HA GLY 73 -1.271 13.256 -4.579 493 HA3 GLY 73 2HA GLY 73 -2.746 12.685 -3.814 494 H LEU 74 H LEU 74 -4.669 13.296 -4.629 495 HA LEU 74 HA LEU 74 -4.898 15.649 -6.300 496 HB2 LEU 74 1HB LEU 74 -5.707 14.499 -8.250 497 HB3 LEU 74 2HB LEU 74 -4.091 13.919 -7.850 498 HG LEU 74 HG LEU 74 -6.435 12.365 -6.871 499 HD11 LEU 74 1HD1 LEU 74 -5.553 11.436 -9.454 500 HD12 LEU 74 2HD1 LEU 74 -6.240 13.056 -9.559 501 HD13 LEU 74 3HD1 LEU 74 -7.187 11.741 -8.864 502 HD21 LEU 74 3HD2 LEU 74 -3.966 11.905 -6.384 503 HD22 LEU 74 1HD2 LEU 74 -3.863 11.383 -8.065 504 HD23 LEU 74 2HD2 LEU 74 -4.952 10.557 -6.951 505 H THR 75 H THR 75 -6.934 16.473 -6.318 506 HA THR 75 HA THR 75 -8.748 15.898 -4.358 507 HB THR 75 HB THR 75 -10.458 17.075 -5.723 508 HG1 THR 75 1HG THR 75 -8.629 17.648 -7.730 509 HG21 THR 75 3HG2 THR 75 -8.411 18.161 -4.472 510 HG22 THR 75 1HG2 THR 75 -9.484 19.143 -5.469 511 HG23 THR 75 2HG2 THR 75 -7.929 18.610 -6.108 512 H GLY 76 H GLY 76 -10.404 14.507 -4.037 513 HA2 GLY 76 1HA GLY 76 -11.946 12.839 -4.459 514 HA3 GLY 76 2HA GLY 76 -11.625 13.035 -6.176 515 H VAL 77 H VAL 77 -9.890 11.891 -3.275 516 HA VAL 77 HA VAL 77 -8.331 10.026 -4.789 517 HB VAL 77 HB VAL 77 -8.712 10.270 -1.802 518 HG11 VAL 77 1HG1 VAL 77 -6.472 8.848 -3.211 519 HG12 VAL 77 2HG1 VAL 77 -6.912 8.787 -1.503 520 HG13 VAL 77 3HG1 VAL 77 -7.945 8.019 -2.710 521 HG21 VAL 77 3HG2 VAL 77 -7.485 12.038 -3.488 522 HG22 VAL 77 1HG2 VAL 77 -7.116 11.842 -1.775 523 HG23 VAL 77 2HG2 VAL 77 -6.142 11.010 -2.988 524 H GLY 78 H GLY 78 -9.149 8.219 -5.614 525 HA2 GLY 78 1HA GLY 78 -9.956 6.003 -5.328 526 HA3 GLY 78 2HA GLY 78 -10.830 6.534 -3.899 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -1.296 -24.705 -18.731 2 HA2 GLY 1 1HA GLY 1 -0.964 -27.412 -18.165 3 HA3 GLY 1 2HA GLY 1 0.210 -26.159 -17.791 4 H SER 2 H SER 2 0.726 -27.451 -15.913 5 HA SER 2 HA SER 2 -1.234 -27.101 -13.738 6 HB2 SER 2 1HB SER 2 0.822 -29.291 -14.111 7 HB3 SER 2 2HB SER 2 -0.153 -29.077 -12.657 8 HG SER 2 HG SER 2 -1.437 -30.378 -13.736 9 H SER 3 H SER 3 -0.360 -25.017 -13.294 10 HA SER 3 HA SER 3 2.240 -25.124 -11.912 11 HB2 SER 3 1HB SER 3 1.117 -22.988 -13.716 12 HB3 SER 3 2HB SER 3 2.380 -22.629 -12.538 13 HG SER 3 HG SER 3 3.547 -23.199 -14.243 14 H GLY 4 H GLY 4 2.197 -24.562 -9.833 15 HA2 GLY 4 1HA GLY 4 0.060 -22.781 -8.885 16 HA3 GLY 4 2HA GLY 4 0.272 -24.343 -8.109 17 H SER 5 H SER 5 0.737 -23.401 -6.108 18 HA SER 5 HA SER 5 3.486 -22.841 -5.656 19 HB2 SER 5 1HB SER 5 3.363 -20.549 -4.936 20 HB3 SER 5 2HB SER 5 2.682 -20.633 -6.560 21 HG SER 5 HG SER 5 0.601 -20.931 -5.266 22 H SER 6 H SER 6 4.026 -23.242 -3.573 23 HA SER 6 HA SER 6 2.317 -22.903 -1.353 24 HB2 SER 6 1HB SER 6 1.835 -25.248 -0.817 25 HB3 SER 6 2HB SER 6 1.114 -24.803 -2.364 26 HG SER 6 HG SER 6 2.274 -26.856 -2.315 27 H GLY 7 H GLY 7 3.362 -23.297 0.603 28 HA2 GLY 7 1HA GLY 7 5.171 -24.479 1.789 29 HA3 GLY 7 2HA GLY 7 6.159 -24.221 0.359 30 H THR 8 H THR 8 7.553 -22.599 0.460 31 HA THR 8 HA THR 8 6.906 -20.285 2.159 32 HB THR 8 HB THR 8 9.267 -20.154 2.865 33 HG1 THR 8 1HG THR 8 9.437 -22.436 1.229 34 HG21 THR 8 3HG2 THR 8 8.420 -22.918 3.597 35 HG22 THR 8 1HG2 THR 8 7.373 -21.568 4.033 36 HG23 THR 8 2HG2 THR 8 9.036 -21.620 4.621 37 H GLU 9 H GLU 9 6.524 -20.432 -0.621 38 HA GLU 9 HA GLU 9 8.688 -19.426 -2.118 39 HB2 GLU 9 1HB GLU 9 6.338 -20.394 -2.839 40 HB3 GLU 9 2HB GLU 9 5.878 -18.698 -2.821 41 HG2 GLU 9 1HG GLU 9 6.496 -19.078 -5.021 42 HG3 GLU 9 2HG GLU 9 7.922 -18.322 -4.313 43 H GLU 10 H GLU 10 9.184 -17.329 -2.797 44 HA GLU 10 HA GLU 10 9.066 -15.319 -0.883 45 HB2 GLU 10 1HB GLU 10 9.511 -15.119 -3.864 46 HB3 GLU 10 2HB GLU 10 9.766 -13.789 -2.742 47 HG2 GLU 10 1HG GLU 10 11.878 -14.759 -3.172 48 HG3 GLU 10 2HG GLU 10 11.414 -15.232 -1.539 49 H HIS 11 H HIS 11 7.334 -14.297 -0.145 50 HA HIS 11 HA HIS 11 5.417 -13.068 -0.078 51 HB2 HIS 11 1HB HIS 11 6.610 -12.025 -2.174 52 HB3 HIS 11 2HB HIS 11 5.338 -12.856 -3.064 53 HD2 HIS 11 2HD HIS 11 2.772 -12.158 -1.219 54 HE1 HIS 11 1HE HIS 11 3.998 -8.121 -1.661 55 HE2 HIS 11 2HE HIS 11 2.135 -9.664 -0.962 56 H VAL 12 H VAL 12 5.248 -15.851 -0.102 57 HA VAL 12 HA VAL 12 3.188 -16.690 -1.931 58 HB VAL 12 HB VAL 12 4.830 -18.313 -1.155 59 HG11 VAL 12 1HG1 VAL 12 5.297 -18.796 1.018 60 HG12 VAL 12 2HG1 VAL 12 4.780 -17.121 1.222 61 HG13 VAL 12 3HG1 VAL 12 3.660 -18.440 1.566 62 HG21 VAL 12 3HG2 VAL 12 2.759 -19.700 0.154 63 HG22 VAL 12 1HG2 VAL 12 1.990 -18.644 -1.031 64 HG23 VAL 12 2HG2 VAL 12 3.222 -19.797 -1.545 65 H GLY 13 H GLY 13 3.380 -15.854 1.508 66 HA2 GLY 13 1HA GLY 13 1.143 -14.570 2.003 67 HA3 GLY 13 2HA GLY 13 0.481 -16.180 1.763 68 H SER 14 H SER 14 3.525 -15.290 3.333 69 HA SER 14 HA SER 14 2.723 -16.825 5.671 70 HB2 SER 14 1HB SER 14 5.001 -17.059 4.608 71 HB3 SER 14 2HB SER 14 5.363 -15.431 5.182 72 HG SER 14 HG SER 14 4.353 -17.042 7.138 73 H GLY 15 H GLY 15 1.147 -15.442 6.565 74 HA2 GLY 15 1HA GLY 15 0.346 -13.661 7.788 75 HA3 GLY 15 2HA GLY 15 1.893 -13.792 8.610 76 H LEU 16 H LEU 16 0.995 -12.714 5.337 77 HA LEU 16 HA LEU 16 2.416 -10.195 5.900 78 HB2 LEU 16 1HB LEU 16 2.545 -10.137 3.314 79 HB3 LEU 16 2HB LEU 16 3.659 -11.157 4.222 80 HG LEU 16 HG LEU 16 2.420 -13.129 3.644 81 HD11 LEU 16 1HD1 LEU 16 0.193 -12.777 3.560 82 HD12 LEU 16 2HD1 LEU 16 0.514 -12.586 1.837 83 HD13 LEU 16 3HD1 LEU 16 0.361 -11.163 2.868 84 HD21 LEU 16 3HD2 LEU 16 3.680 -11.437 1.759 85 HD22 LEU 16 1HD2 LEU 16 2.303 -12.193 0.958 86 HD23 LEU 16 2HD2 LEU 16 3.534 -13.195 1.728 87 H GLU 17 H GLU 17 -0.594 -11.480 5.518 88 HA GLU 17 HA GLU 17 -2.080 -10.022 3.810 89 HB2 GLU 17 1HB GLU 17 -3.928 -10.099 5.446 90 HB3 GLU 17 2HB GLU 17 -3.081 -11.635 5.320 91 HG2 GLU 17 1HG GLU 17 -2.227 -11.502 7.423 92 HG3 GLU 17 2HG GLU 17 -2.196 -9.740 7.421 93 H CYS 18 H CYS 18 -2.982 -7.992 3.662 94 HA CYS 18 HA CYS 18 -1.507 -5.813 4.558 95 HB2 CYS 18 1HB CYS 18 -2.828 -5.326 2.721 96 HB3 CYS 18 2HB CYS 18 -4.241 -6.137 3.389 97 HA PRO 19 HA PRO 19 -2.785 -5.503 8.791 98 HB2 PRO 19 1HB PRO 19 -1.631 -3.098 9.298 99 HB3 PRO 19 2HB PRO 19 -0.708 -4.601 9.181 100 HG2 PRO 19 1HG PRO 19 -1.108 -2.459 7.128 101 HG3 PRO 19 2HG PRO 19 0.373 -3.334 7.559 102 HD2 PRO 19 1HD PRO 19 -1.110 -3.963 5.382 103 HD3 PRO 19 2HD PRO 19 -0.201 -5.179 6.303 104 H VAL 20 H VAL 20 -3.313 -2.937 6.431 105 HA VAL 20 HA VAL 20 -4.946 -1.222 7.849 106 HB VAL 20 HB VAL 20 -5.509 -1.948 4.982 107 HG11 VAL 20 1HG1 VAL 20 -5.605 0.756 5.187 108 HG12 VAL 20 2HG1 VAL 20 -7.001 -0.309 5.363 109 HG13 VAL 20 3HG1 VAL 20 -6.149 0.273 6.794 110 HG21 VAL 20 3HG2 VAL 20 -3.013 -1.099 6.071 111 HG22 VAL 20 1HG2 VAL 20 -3.446 -1.389 4.386 112 HG23 VAL 20 2HG2 VAL 20 -3.686 0.208 5.097 113 H CYS 21 H CYS 21 -5.923 -4.082 5.967 114 HA CYS 21 HA CYS 21 -8.543 -3.977 7.302 115 HB2 CYS 21 1HB CYS 21 -9.240 -5.542 5.425 116 HB3 CYS 21 2HB CYS 21 -8.864 -3.889 4.952 117 H LYS 22 H LYS 22 -5.636 -5.755 7.007 118 HA LYS 22 HA LYS 22 -4.871 -7.649 8.008 119 HB2 LYS 22 1HB LYS 22 -7.415 -7.554 9.637 120 HB3 LYS 22 2HB LYS 22 -5.930 -8.402 10.046 121 HG2 LYS 22 1HG LYS 22 -5.782 -5.470 9.615 122 HG3 LYS 22 2HG LYS 22 -6.536 -6.060 11.097 123 HD2 LYS 22 1HD LYS 22 -4.535 -7.312 11.652 124 HD3 LYS 22 2HD LYS 22 -3.784 -6.834 10.128 125 HE2 LYS 22 1HE LYS 22 -3.386 -4.696 10.838 126 HE3 LYS 22 2HE LYS 22 -4.761 -4.692 11.943 127 HZ1 LYS 22 3HZ LYS 22 -3.369 -5.150 13.583 128 HZ2 LYS 22 1HZ LYS 22 -2.062 -5.226 12.511 129 HZ3 LYS 22 2HZ LYS 22 -2.963 -6.617 12.846 130 H GLU 23 H GLU 23 -6.282 -7.915 5.600 131 HA GLU 23 HA GLU 23 -7.845 -10.374 5.957 132 HB2 GLU 23 1HB GLU 23 -7.596 -8.486 3.611 133 HB3 GLU 23 2HB GLU 23 -8.484 -10.003 3.555 134 HG2 GLU 23 1HG GLU 23 -9.157 -8.073 5.705 135 HG3 GLU 23 2HG GLU 23 -9.671 -7.704 4.060 136 H ASP 24 H ASP 24 -6.017 -9.393 3.109 137 HA ASP 24 HA ASP 24 -3.762 -10.985 3.410 138 HB2 ASP 24 1HB ASP 24 -6.179 -12.440 2.486 139 HB3 ASP 24 2HB ASP 24 -4.678 -12.772 1.626 140 H TYR 25 H TYR 25 -2.779 -11.569 1.186 141 HA TYR 25 HA TYR 25 -3.291 -9.290 -0.591 142 HB2 TYR 25 1HB TYR 25 -0.866 -11.030 -0.164 143 HB3 TYR 25 2HB TYR 25 -1.003 -9.922 -1.524 144 HD1 TYR 25 1HD TYR 25 -2.323 -7.607 -0.232 145 HD2 TYR 25 2HD TYR 25 0.832 -10.107 1.147 146 HE1 TYR 25 1HE TYR 25 -1.492 -5.771 1.177 147 HE2 TYR 25 2HE TYR 25 1.671 -8.277 2.560 148 HH TYR 25 HH TYR 25 -0.014 -5.156 2.719 149 H ALA 26 H ALA 26 -2.290 -10.024 -2.939 150 HA ALA 26 HA ALA 26 -3.089 -12.625 -3.802 151 HB1 ALA 26 3HB ALA 26 -5.247 -11.148 -3.470 152 HB2 ALA 26 1HB ALA 26 -4.780 -10.521 -5.051 153 HB3 ALA 26 2HB ALA 26 -5.089 -12.246 -4.842 154 H LEU 27 H LEU 27 -1.974 -13.136 -5.583 155 HA LEU 27 HA LEU 27 0.065 -11.774 -6.657 156 HB2 LEU 27 1HB LEU 27 -1.867 -13.624 -8.019 157 HB3 LEU 27 2HB LEU 27 -0.452 -12.981 -8.851 158 HG LEU 27 HG LEU 27 -0.356 -14.651 -6.339 159 HD11 LEU 27 1HD1 LEU 27 -1.219 -15.907 -8.275 160 HD12 LEU 27 2HD1 LEU 27 0.368 -16.471 -7.752 161 HD13 LEU 27 3HD1 LEU 27 0.222 -15.456 -9.186 162 HD21 LEU 27 3HD2 LEU 27 1.831 -14.244 -6.268 163 HD22 LEU 27 1HD2 LEU 27 1.535 -12.937 -7.416 164 HD23 LEU 27 2HD2 LEU 27 2.016 -14.531 -7.999 165 H GLY 28 H GLY 28 -3.287 -11.535 -7.826 166 HA2 GLY 28 1HA GLY 28 -2.619 -9.502 -9.753 167 HA3 GLY 28 2HA GLY 28 -4.233 -10.065 -9.344 168 H GLU 29 H GLU 29 -3.746 -9.558 -6.455 169 HA GLU 29 HA GLU 29 -4.835 -6.975 -6.311 170 HB2 GLU 29 1HB GLU 29 -3.757 -8.933 -4.343 171 HB3 GLU 29 2HB GLU 29 -3.967 -7.270 -3.810 172 HG2 GLU 29 1HG GLU 29 -6.321 -7.357 -4.435 173 HG3 GLU 29 2HG GLU 29 -6.116 -9.018 -4.988 174 H SER 30 H SER 30 -3.879 -5.091 -6.640 175 HA SER 30 HA SER 30 -1.075 -4.789 -6.881 176 HB2 SER 30 1HB SER 30 -2.704 -3.367 -8.086 177 HB3 SER 30 2HB SER 30 -3.185 -2.641 -6.553 178 HG SER 30 HG SER 30 -0.478 -2.628 -7.287 179 H VAL 31 H VAL 31 0.148 -5.153 -5.119 180 HA VAL 31 HA VAL 31 -0.618 -3.924 -2.571 181 HB VAL 31 HB VAL 31 1.547 -5.297 -1.872 182 HG11 VAL 31 1HG1 VAL 31 -1.204 -6.429 -2.350 183 HG12 VAL 31 2HG1 VAL 31 0.040 -7.230 -1.387 184 HG13 VAL 31 3HG1 VAL 31 -0.598 -5.664 -0.881 185 HG21 VAL 31 3HG2 VAL 31 2.076 -5.982 -4.168 186 HG22 VAL 31 1HG2 VAL 31 1.745 -7.370 -3.132 187 HG23 VAL 31 2HG2 VAL 31 0.523 -6.810 -4.274 188 H ARG 32 H ARG 32 0.819 -2.620 -1.391 189 HA ARG 32 HA ARG 32 3.031 -1.477 -2.967 190 HB2 ARG 32 1HB ARG 32 1.623 0.326 -2.972 191 HB3 ARG 32 2HB ARG 32 0.818 -0.163 -1.486 192 HG2 ARG 32 1HG ARG 32 2.286 0.942 -0.161 193 HG3 ARG 32 2HG ARG 32 3.640 0.695 -1.265 194 HD2 ARG 32 1HD ARG 32 2.694 2.377 -2.781 195 HD3 ARG 32 2HD ARG 32 1.359 2.630 -1.658 196 HE ARG 32 HE ARG 32 3.518 3.106 -0.121 197 HH11 ARG 32 1HH1 ARG 32 2.551 4.271 -3.256 198 HH12 ARG 32 2HH1 ARG 32 3.341 5.803 -3.074 199 HH21 ARG 32 1HH2 ARG 32 4.561 5.119 0.130 200 HH22 ARG 32 2HH2 ARG 32 4.484 6.283 -1.148 201 H GLN 33 H GLN 33 4.960 -1.244 -1.970 202 HA GLN 33 HA GLN 33 5.141 -2.212 0.795 203 HB2 GLN 33 1HB GLN 33 6.437 -3.380 -1.015 204 HB3 GLN 33 2HB GLN 33 7.377 -1.907 -1.211 205 HG2 GLN 33 1HG GLN 33 8.548 -2.232 0.692 206 HG3 GLN 33 2HG GLN 33 7.197 -3.001 1.524 207 HE21 GLN 33 1HE2 GLN 33 8.666 -4.592 2.271 208 HE22 GLN 33 2HE2 GLN 33 9.173 -5.882 1.240 209 H LEU 34 H LEU 34 6.064 -1.020 2.399 210 HA LEU 34 HA LEU 34 6.529 1.804 1.792 211 HB2 LEU 34 1HB LEU 34 5.869 0.284 4.285 212 HB3 LEU 34 2HB LEU 34 6.549 1.908 4.380 213 HG LEU 34 HG LEU 34 3.893 1.066 3.247 214 HD11 LEU 34 1HD1 LEU 34 2.956 2.374 4.934 215 HD12 LEU 34 2HD1 LEU 34 4.468 3.226 5.244 216 HD13 LEU 34 3HD1 LEU 34 4.290 1.541 5.734 217 HD21 LEU 34 3HD2 LEU 34 5.575 3.375 2.561 218 HD22 LEU 34 1HD2 LEU 34 3.912 3.764 3.004 219 HD23 LEU 34 2HD2 LEU 34 4.233 2.642 1.681 220 HA PRO 35 HA PRO 35 10.861 1.708 2.484 221 HB2 PRO 35 1HB PRO 35 11.285 3.998 3.880 222 HB3 PRO 35 2HB PRO 35 10.870 3.983 2.162 223 HG2 PRO 35 1HG PRO 35 9.106 4.458 4.534 224 HG3 PRO 35 2HG PRO 35 9.151 5.317 2.983 225 HD2 PRO 35 1HD PRO 35 7.296 3.428 3.547 226 HD3 PRO 35 2HD PRO 35 7.915 3.698 1.905 227 H CYS 36 H CYS 36 8.762 1.030 4.884 228 HA CYS 36 HA CYS 36 10.872 0.791 6.927 229 HB2 CYS 36 1HB CYS 36 8.917 0.596 8.541 230 HB3 CYS 36 2HB CYS 36 9.162 2.179 7.809 231 H ASN 37 H ASN 37 9.785 -0.999 4.613 232 HA ASN 37 HA ASN 37 9.802 -3.252 4.244 233 HB2 ASN 37 1HB ASN 37 10.054 -3.937 7.132 234 HB3 ASN 37 2HB ASN 37 10.852 -4.651 5.733 235 HD21 ASN 37 1HD2 ASN 37 11.318 -2.825 8.414 236 HD22 ASN 37 2HD2 ASN 37 12.771 -2.007 7.961 237 H HIS 38 H HIS 38 7.431 -1.669 4.988 238 HA HIS 38 HA HIS 38 5.713 -3.878 5.913 239 HB2 HIS 38 1HB HIS 38 5.522 -0.921 6.466 240 HB3 HIS 38 2HB HIS 38 4.144 -1.999 6.668 241 HD2 HIS 38 2HD HIS 38 5.579 -4.453 8.243 242 HE1 HIS 38 1HE HIS 38 6.852 -1.462 10.969 243 HE2 HIS 38 2HE HIS 38 6.577 -3.934 10.572 244 H LEU 39 H LEU 39 4.263 -4.563 4.486 245 HA LEU 39 HA LEU 39 3.810 -2.981 2.071 246 HB2 LEU 39 1HB LEU 39 3.473 -5.857 2.797 247 HB3 LEU 39 2HB LEU 39 2.567 -5.192 1.440 248 HG LEU 39 HG LEU 39 5.521 -4.803 1.514 249 HD11 LEU 39 1HD1 LEU 39 6.055 -6.945 1.299 250 HD12 LEU 39 2HD1 LEU 39 4.811 -7.191 0.074 251 HD13 LEU 39 3HD1 LEU 39 4.407 -7.347 1.784 252 HD21 LEU 39 3HD2 LEU 39 4.355 -3.717 -0.251 253 HD22 LEU 39 1HD2 LEU 39 3.432 -5.174 -0.623 254 HD23 LEU 39 2HD2 LEU 39 5.164 -5.120 -0.951 255 H PHE 40 H PHE 40 1.630 -2.827 1.180 256 HA PHE 40 HA PHE 40 -0.628 -3.286 2.893 257 HB2 PHE 40 1HB PHE 40 0.070 -0.414 2.260 258 HB3 PHE 40 2HB PHE 40 -1.292 -0.988 3.215 259 HD1 PHE 40 2HD PHE 40 2.407 -0.802 3.141 260 HD2 PHE 40 1HD PHE 40 -1.085 -1.320 5.518 261 HE1 PHE 40 2HE PHE 40 3.774 -0.632 5.179 262 HE2 PHE 40 1HE PHE 40 0.275 -1.149 7.560 263 HZ PHE 40 HZ PHE 40 2.708 -0.806 7.393 264 H HIS 41 H HIS 41 -2.565 -3.217 1.794 265 HA HIS 41 HA HIS 41 -2.580 -3.672 -0.930 266 HB2 HIS 41 1HB HIS 41 -4.742 -2.776 0.962 267 HB3 HIS 41 2HB HIS 41 -5.075 -3.044 -0.746 268 HD2 HIS 41 2HD HIS 41 -3.517 -5.859 -1.189 269 HE1 HIS 41 1HE HIS 41 -5.844 -7.233 2.081 270 HE2 HIS 41 2HE HIS 41 -4.363 -7.900 0.156 271 H ASP 42 H ASP 42 -2.692 -2.450 -2.729 272 HA ASP 42 HA ASP 42 -1.939 0.248 -2.667 273 HB2 ASP 42 1HB ASP 42 -1.508 -1.147 -4.610 274 HB3 ASP 42 2HB ASP 42 -3.236 -1.345 -4.886 275 H SER 43 H SER 43 -4.901 -1.118 -1.959 276 HA SER 43 HA SER 43 -6.360 1.336 -2.680 277 HB2 SER 43 1HB SER 43 -7.308 -0.706 -3.655 278 HB3 SER 43 2HB SER 43 -7.439 -1.423 -2.049 279 HG SER 43 HG SER 43 -8.745 0.611 -1.627 280 H CYS 44 H CYS 44 -4.899 -0.197 -0.123 281 HA CYS 44 HA CYS 44 -6.756 0.941 1.853 282 HB2 CYS 44 1HB CYS 44 -4.612 -1.172 2.119 283 HB3 CYS 44 2HB CYS 44 -5.478 -0.486 3.489 284 H ILE 45 H ILE 45 -3.426 0.952 0.748 285 HA ILE 45 HA ILE 45 -2.581 2.781 2.831 286 HB ILE 45 HB ILE 45 -1.174 0.928 1.579 287 HG12 ILE 45 1HG1 ILE 45 0.845 2.066 2.274 288 HG13 ILE 45 2HG1 ILE 45 0.033 3.626 2.220 289 HG21 ILE 45 1HG2 ILE 45 -1.480 1.866 -0.648 290 HG22 ILE 45 2HG2 ILE 45 -0.721 3.370 -0.130 291 HG23 ILE 45 3HG2 ILE 45 0.223 1.882 -0.191 292 HD11 ILE 45 3HD1 ILE 45 -0.971 1.474 4.027 293 HD12 ILE 45 1HD1 ILE 45 0.414 2.462 4.492 294 HD13 ILE 45 2HD1 ILE 45 -1.142 3.224 4.163 295 H VAL 46 H VAL 46 -3.092 2.864 -0.679 296 HA VAL 46 HA VAL 46 -2.249 5.345 -1.368 297 HB VAL 46 HB VAL 46 -4.531 3.680 -2.277 298 HG11 VAL 46 1HG1 VAL 46 -5.748 5.643 -2.405 299 HG12 VAL 46 2HG1 VAL 46 -4.323 6.627 -2.742 300 HG13 VAL 46 3HG1 VAL 46 -4.985 5.575 -3.993 301 HG21 VAL 46 3HG2 VAL 46 -1.981 3.833 -3.035 302 HG22 VAL 46 1HG2 VAL 46 -3.279 3.414 -4.154 303 HG23 VAL 46 2HG2 VAL 46 -2.653 5.062 -4.106 304 HA PRO 47 HA PRO 47 -6.352 7.403 0.152 305 HB2 PRO 47 1HB PRO 47 -7.996 5.897 1.702 306 HB3 PRO 47 2HB PRO 47 -8.119 5.950 -0.060 307 HG2 PRO 47 1HG PRO 47 -6.813 3.900 1.687 308 HG3 PRO 47 2HG PRO 47 -7.837 3.664 0.259 309 HD2 PRO 47 1HD PRO 47 -5.137 3.488 0.161 310 HD3 PRO 47 2HD PRO 47 -6.106 4.076 -1.206 311 H TRP 48 H TRP 48 -4.375 5.338 2.052 312 HA TRP 48 HA TRP 48 -4.982 6.617 4.573 313 HB2 TRP 48 1HB TRP 48 -4.375 4.269 4.598 314 HB3 TRP 48 2HB TRP 48 -2.849 4.619 3.790 315 HD1 TRP 48 HD TRP 48 -0.833 5.382 5.277 316 HE1 TRP 48 1HE TRP 48 -0.479 5.599 7.817 317 HE3 TRP 48 3HE TRP 48 -5.685 4.905 6.816 318 HZ2 TRP 48 2HZ TRP 48 -2.049 5.572 10.163 319 HZ3 TRP 48 3HZ TRP 48 -6.173 5.012 9.226 320 HH2 TRP 48 HH TRP 48 -4.392 5.337 10.863 321 H LEU 49 H LEU 49 -2.022 6.324 2.595 322 HA LEU 49 HA LEU 49 -0.509 8.215 3.962 323 HB2 LEU 49 1HB LEU 49 -0.316 7.783 0.998 324 HB3 LEU 49 2HB LEU 49 0.970 8.199 2.129 325 HG LEU 49 HG LEU 49 -0.430 5.533 1.928 326 HD11 LEU 49 1HD1 LEU 49 0.985 5.448 0.150 327 HD12 LEU 49 2HD1 LEU 49 2.110 4.973 1.422 328 HD13 LEU 49 3HD1 LEU 49 2.097 6.635 0.832 329 HD21 LEU 49 3HD2 LEU 49 0.479 6.462 4.217 330 HD22 LEU 49 1HD2 LEU 49 2.036 5.996 3.531 331 HD23 LEU 49 2HD2 LEU 49 0.766 4.789 3.733 332 H GLU 50 H GLU 50 -2.983 8.621 1.536 333 HA GLU 50 HA GLU 50 -2.387 11.331 0.899 334 HB2 GLU 50 1HB GLU 50 -4.833 9.613 0.520 335 HB3 GLU 50 2HB GLU 50 -4.795 11.303 0.035 336 HG2 GLU 50 1HG GLU 50 -2.621 9.524 -0.924 337 HG3 GLU 50 2HG GLU 50 -4.221 9.355 -1.644 338 H GLN 51 H GLN 51 -3.516 9.951 3.694 339 HA GLN 51 HA GLN 51 -4.894 12.431 4.489 340 HB2 GLN 51 1HB GLN 51 -5.479 9.569 5.079 341 HB3 GLN 51 2HB GLN 51 -5.826 10.758 6.328 342 HG2 GLN 51 1HG GLN 51 -6.810 11.298 3.583 343 HG3 GLN 51 2HG GLN 51 -7.619 10.049 4.527 344 HE21 GLN 51 1HE2 GLN 51 -7.564 13.271 3.799 345 HE22 GLN 51 2HE2 GLN 51 -8.463 13.878 5.144 346 H HIS 52 H HIS 52 -2.748 9.825 5.543 347 HA HIS 52 HA HIS 52 -1.852 11.533 7.766 348 HB2 HIS 52 1HB HIS 52 -1.306 8.581 7.505 349 HB3 HIS 52 2HB HIS 52 -1.204 9.585 8.949 350 HD2 HIS 52 2HD HIS 52 -4.015 8.020 6.672 351 HE1 HIS 52 1HE HIS 52 -5.637 8.936 10.484 352 HE2 HIS 52 2HE HIS 52 -6.037 7.803 8.270 353 H ASP 53 H ASP 53 -0.868 9.828 4.901 354 HA ASP 53 HA ASP 53 1.060 9.825 3.694 355 HB2 ASP 53 1HB ASP 53 1.977 12.155 5.376 356 HB3 ASP 53 2HB ASP 53 2.414 11.777 3.712 357 H SER 54 H SER 54 0.890 8.217 6.065 358 HA SER 54 HA SER 54 3.723 7.708 6.436 359 HB2 SER 54 1HB SER 54 1.980 7.980 8.884 360 HB3 SER 54 2HB SER 54 3.734 7.820 8.809 361 HG SER 54 HG SER 54 2.295 10.045 8.825 362 H CYS 55 H CYS 55 3.845 5.742 8.134 363 HA CYS 55 HA CYS 55 2.364 3.625 6.867 364 HB2 CYS 55 1HB CYS 55 4.733 3.341 7.482 365 HB3 CYS 55 2HB CYS 55 4.312 3.528 9.180 366 HA PRO 56 HA PRO 56 -0.987 3.716 9.778 367 HB2 PRO 56 1HB PRO 56 -2.223 1.471 8.885 368 HB3 PRO 56 2HB PRO 56 -2.308 3.017 8.034 369 HG2 PRO 56 1HG PRO 56 -0.561 0.648 7.488 370 HG3 PRO 56 2HG PRO 56 -1.450 1.671 6.343 371 HD2 PRO 56 1HD PRO 56 1.205 1.957 6.795 372 HD3 PRO 56 2HD PRO 56 0.153 3.327 6.384 373 H VAL 57 H VAL 57 1.643 1.749 9.815 374 HA VAL 57 HA VAL 57 0.608 0.150 12.066 375 HB VAL 57 HB VAL 57 2.868 -0.537 10.182 376 HG11 VAL 57 1HG1 VAL 57 3.410 -2.322 11.479 377 HG12 VAL 57 2HG1 VAL 57 2.824 -1.247 12.749 378 HG13 VAL 57 3HG1 VAL 57 1.772 -2.507 12.105 379 HG21 VAL 57 3HG2 VAL 57 0.549 -2.326 10.453 380 HG22 VAL 57 1HG2 VAL 57 0.220 -0.777 9.677 381 HG23 VAL 57 2HG2 VAL 57 1.454 -1.849 9.017 382 H CYS 58 H CYS 58 3.847 1.040 10.879 383 HA CYS 58 HA CYS 58 4.666 1.599 13.618 384 HB2 CYS 58 1HB CYS 58 6.908 1.527 12.824 385 HB3 CYS 58 2HB CYS 58 6.058 0.214 12.016 386 H ARG 59 H ARG 59 3.559 3.277 10.893 387 HA ARG 59 HA ARG 59 3.403 5.480 10.344 388 HB2 ARG 59 1HB ARG 59 3.720 5.643 13.336 389 HB3 ARG 59 2HB ARG 59 3.470 7.075 12.346 390 HG2 ARG 59 1HG ARG 59 1.334 6.560 13.048 391 HG3 ARG 59 2HG ARG 59 1.403 5.813 11.451 392 HD2 ARG 59 1HD ARG 59 0.460 4.148 12.766 393 HD3 ARG 59 2HD ARG 59 2.165 3.701 12.722 394 HE ARG 59 HE ARG 59 2.068 5.154 14.952 395 HH11 ARG 59 1HH1 ARG 59 -0.025 2.630 13.785 396 HH12 ARG 59 2HH1 ARG 59 -0.463 2.081 15.370 397 HH21 ARG 59 1HH2 ARG 59 1.500 4.441 17.043 398 HH22 ARG 59 2HH2 ARG 59 0.405 3.113 17.222 399 H LYS 60 H LYS 60 5.840 4.461 9.742 400 HA LYS 60 HA LYS 60 7.962 6.072 10.826 401 HB2 LYS 60 1HB LYS 60 7.726 3.925 8.777 402 HB3 LYS 60 2HB LYS 60 9.110 5.004 8.665 403 HG2 LYS 60 1HG LYS 60 8.511 3.813 11.312 404 HG3 LYS 60 2HG LYS 60 9.175 2.758 10.062 405 HD2 LYS 60 1HD LYS 60 11.181 3.858 10.008 406 HD3 LYS 60 2HD LYS 60 10.473 5.398 10.501 407 HE2 LYS 60 1HE LYS 60 10.214 4.560 12.776 408 HE3 LYS 60 2HE LYS 60 10.879 3.002 12.289 409 HZ1 LYS 60 3HZ LYS 60 12.503 4.479 13.392 410 HZ2 LYS 60 1HZ LYS 60 12.355 5.570 12.108 411 HZ3 LYS 60 2HZ LYS 60 12.975 4.021 11.833 412 H SER 61 H SER 61 8.280 8.121 10.293 413 HA SER 61 HA SER 61 6.985 9.651 8.481 414 HB2 SER 61 1HB SER 61 8.439 10.748 9.999 415 HB3 SER 61 2HB SER 61 9.841 9.841 9.434 416 HG SER 61 HG SER 61 9.367 12.156 8.668 417 H LEU 62 H LEU 62 6.627 9.310 6.394 418 HA LEU 62 HA LEU 62 8.635 7.988 4.751 419 HB2 LEU 62 1HB LEU 62 5.931 8.952 3.866 420 HB3 LEU 62 2HB LEU 62 6.942 7.713 3.125 421 HG LEU 62 HG LEU 62 5.693 7.392 5.846 422 HD11 LEU 62 1HD1 LEU 62 4.590 6.141 3.366 423 HD12 LEU 62 2HD1 LEU 62 4.083 7.759 3.849 424 HD13 LEU 62 3HD1 LEU 62 3.821 6.394 4.933 425 HD21 LEU 62 3HD2 LEU 62 6.975 5.579 5.886 426 HD22 LEU 62 1HD2 LEU 62 7.518 5.860 4.232 427 HD23 LEU 62 2HD2 LEU 62 6.037 4.949 4.531 428 H THR 63 H THR 63 9.261 10.611 5.674 429 HA THR 63 HA THR 63 9.656 11.907 3.088 430 HB THR 63 HB THR 63 7.666 13.010 3.978 431 HG1 THR 63 1HG THR 63 9.581 14.195 2.978 432 HG21 THR 63 3HG2 THR 63 7.990 14.433 6.068 433 HG22 THR 63 1HG2 THR 63 9.405 13.434 6.398 434 HG23 THR 63 2HG2 THR 63 7.805 12.696 6.313 435 H GLY 64 H GLY 64 11.490 13.228 2.978 436 HA2 GLY 64 1HA GLY 64 13.092 14.368 4.750 437 HA3 GLY 64 2HA GLY 64 13.452 12.678 5.069 438 H GLN 65 H GLN 65 14.475 11.426 3.444 439 HA GLN 65 HA GLN 65 16.308 12.961 1.845 440 HB2 GLN 65 1HB GLN 65 15.939 10.030 2.391 441 HB3 GLN 65 2HB GLN 65 17.044 10.582 1.139 442 HG2 GLN 65 1HG GLN 65 17.208 11.554 3.973 443 HG3 GLN 65 2HG GLN 65 18.036 10.101 3.414 444 HE21 GLN 65 1HE2 GLN 65 20.089 10.470 3.039 445 HE22 GLN 65 2HE2 GLN 65 20.763 11.902 2.348 446 H ASN 66 H ASN 66 16.529 12.913 -0.403 447 HA ASN 66 HA ASN 66 14.292 13.175 -1.947 448 HB2 ASN 66 1HB ASN 66 17.116 12.423 -2.641 449 HB3 ASN 66 2HB ASN 66 15.885 12.512 -3.898 450 HD21 ASN 66 1HD2 ASN 66 18.335 14.148 -3.065 451 HD22 ASN 66 2HD2 ASN 66 17.763 15.777 -3.114 452 H THR 67 H THR 67 12.800 11.858 -2.757 453 HA THR 67 HA THR 67 13.428 8.987 -2.980 454 HB THR 67 HB THR 67 10.691 10.025 -2.258 455 HG1 THR 67 1HG THR 67 12.448 8.882 -0.366 456 HG21 THR 67 3HG2 THR 67 10.174 7.794 -1.740 457 HG22 THR 67 1HG2 THR 67 11.870 7.317 -1.700 458 HG23 THR 67 2HG2 THR 67 11.095 7.691 -3.239 459 H ALA 68 H ALA 68 11.453 11.677 -4.146 460 HA ALA 68 HA ALA 68 10.554 12.132 -6.187 461 HB1 ALA 68 3HB ALA 68 12.249 9.872 -7.235 462 HB2 ALA 68 1HB ALA 68 11.578 11.225 -8.146 463 HB3 ALA 68 2HB ALA 68 12.846 11.508 -6.953 464 H THR 69 H THR 69 8.888 10.781 -4.639 465 HA THR 69 HA THR 69 7.740 8.690 -6.373 466 HB THR 69 HB THR 69 8.492 7.887 -4.122 467 HG1 THR 69 1HG THR 69 6.585 6.707 -3.799 468 HG21 THR 69 3HG2 THR 69 8.097 9.592 -2.604 469 HG22 THR 69 1HG2 THR 69 6.753 8.499 -2.280 470 HG23 THR 69 2HG2 THR 69 6.498 9.945 -3.258 471 H ASN 70 H ASN 70 5.461 8.630 -6.603 472 HA ASN 70 HA ASN 70 4.195 11.002 -7.126 473 HB2 ASN 70 1HB ASN 70 2.925 8.389 -6.276 474 HB3 ASN 70 2HB ASN 70 2.063 9.726 -7.032 475 HD21 ASN 70 1HD2 ASN 70 2.322 7.040 -7.994 476 HD22 ASN 70 2HD2 ASN 70 3.114 7.127 -9.527 477 HA PRO 71 HA PRO 71 3.703 12.459 -2.891 478 HB2 PRO 71 1HB PRO 71 3.024 14.988 -3.607 479 HB3 PRO 71 2HB PRO 71 4.696 14.416 -3.570 480 HG2 PRO 71 1HG PRO 71 2.842 14.700 -5.904 481 HG3 PRO 71 2HG PRO 71 4.559 15.126 -5.780 482 HD2 PRO 71 1HD PRO 71 3.705 12.848 -6.971 483 HD3 PRO 71 2HD PRO 71 5.251 12.952 -6.105 484 HA PRO 72 HA PRO 72 -0.677 11.959 -2.543 485 HB2 PRO 72 1HB PRO 72 -0.981 12.932 -0.027 486 HB3 PRO 72 2HB PRO 72 -0.276 11.347 -0.365 487 HG2 PRO 72 1HG PRO 72 1.094 13.937 0.248 488 HG3 PRO 72 2HG PRO 72 1.456 12.310 0.851 489 HD2 PRO 72 1HD PRO 72 2.868 13.470 -1.147 490 HD3 PRO 72 2HD PRO 72 2.597 11.718 -1.062 491 H GLY 73 H GLY 73 -1.788 13.325 -3.853 492 HA2 GLY 73 1HA GLY 73 -2.050 16.128 -2.952 493 HA3 GLY 73 2HA GLY 73 -2.075 15.650 -4.643 494 H LEU 74 H LEU 74 -4.107 17.171 -3.809 495 HA LEU 74 HA LEU 74 -6.326 16.128 -2.619 496 HB2 LEU 74 1HB LEU 74 -5.832 18.400 -3.921 497 HB3 LEU 74 2HB LEU 74 -6.781 17.584 -5.162 498 HG LEU 74 HG LEU 74 -8.147 19.087 -3.795 499 HD11 LEU 74 1HD1 LEU 74 -8.989 16.891 -4.775 500 HD12 LEU 74 2HD1 LEU 74 -9.959 17.632 -3.502 501 HD13 LEU 74 3HD1 LEU 74 -8.912 16.262 -3.129 502 HD21 LEU 74 3HD2 LEU 74 -8.449 18.843 -1.490 503 HD22 LEU 74 1HD2 LEU 74 -6.707 18.675 -1.717 504 HD23 LEU 74 2HD2 LEU 74 -7.706 17.242 -1.469 505 H THR 75 H THR 75 -5.472 15.784 -6.058 506 HA THR 75 HA THR 75 -6.521 14.509 -7.694 507 HB THR 75 HB THR 75 -6.170 12.061 -7.207 508 HG1 THR 75 1HG THR 75 -5.358 11.471 -5.252 509 HG21 THR 75 3HG2 THR 75 -3.611 12.426 -6.780 510 HG22 THR 75 1HG2 THR 75 -4.028 14.130 -6.963 511 HG23 THR 75 2HG2 THR 75 -4.351 12.997 -8.276 512 H GLY 76 H GLY 76 -8.552 15.631 -6.209 513 HA2 GLY 76 1HA GLY 76 -10.680 15.257 -5.325 514 HA3 GLY 76 2HA GLY 76 -10.818 14.399 -6.852 515 H VAL 77 H VAL 77 -9.091 13.645 -3.831 516 HA VAL 77 HA VAL 77 -10.296 10.975 -3.896 517 HB VAL 77 HB VAL 77 -7.840 11.113 -3.713 518 HG11 VAL 77 1HG1 VAL 77 -8.539 12.906 -1.492 519 HG12 VAL 77 2HG1 VAL 77 -7.239 11.762 -1.154 520 HG13 VAL 77 3HG1 VAL 77 -7.106 12.873 -2.518 521 HG21 VAL 77 3HG2 VAL 77 -7.602 9.585 -1.789 522 HG22 VAL 77 1HG2 VAL 77 -9.241 9.997 -1.286 523 HG23 VAL 77 2HG2 VAL 77 -8.972 9.168 -2.818 524 H GLY 78 H GLY 78 -11.337 10.074 -2.098 525 HA2 GLY 78 1HA GLY 78 -11.810 10.509 0.364 526 HA3 GLY 78 2HA GLY 78 -12.362 12.081 -0.194 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -4.685 -33.891 7.178 2 HA2 GLY 1 1HA GLY 1 -3.451 -34.357 9.746 3 HA3 GLY 1 2HA GLY 1 -2.818 -35.379 8.464 4 H SER 2 H SER 2 -0.874 -34.064 9.319 5 HA SER 2 HA SER 2 -0.687 -31.372 8.279 6 HB2 SER 2 1HB SER 2 1.434 -33.121 9.549 7 HB3 SER 2 2HB SER 2 1.584 -31.396 9.214 8 HG SER 2 HG SER 2 0.348 -32.666 11.286 9 H SER 3 H SER 3 -0.945 -31.676 6.045 10 HA SER 3 HA SER 3 0.291 -33.464 4.382 11 HB2 SER 3 1HB SER 3 -0.580 -30.621 4.006 12 HB3 SER 3 2HB SER 3 0.287 -31.439 2.707 13 HG SER 3 HG SER 3 -1.855 -31.832 2.369 14 H GLY 4 H GLY 4 1.557 -30.225 5.200 15 HA2 GLY 4 1HA GLY 4 3.850 -29.876 5.803 16 HA3 GLY 4 2HA GLY 4 4.273 -31.310 4.879 17 H SER 5 H SER 5 3.865 -27.913 4.824 18 HA SER 5 HA SER 5 4.422 -27.877 1.929 19 HB2 SER 5 1HB SER 5 3.290 -25.798 1.746 20 HB3 SER 5 2HB SER 5 2.250 -26.810 2.749 21 HG SER 5 HG SER 5 2.700 -24.576 3.490 22 H SER 6 H SER 6 6.490 -28.296 3.735 23 HA SER 6 HA SER 6 7.834 -26.082 4.704 24 HB2 SER 6 1HB SER 6 8.480 -28.479 5.066 25 HB3 SER 6 2HB SER 6 9.151 -28.492 3.435 26 HG SER 6 HG SER 6 10.862 -27.573 4.207 27 H GLY 7 H GLY 7 9.210 -24.569 3.873 28 HA2 GLY 7 1HA GLY 7 10.755 -23.974 2.028 29 HA3 GLY 7 2HA GLY 7 9.515 -24.566 0.933 30 H THR 8 H THR 8 10.150 -22.248 0.175 31 HA THR 8 HA THR 8 7.991 -20.505 1.068 32 HB THR 8 HB THR 8 10.857 -19.544 0.946 33 HG1 THR 8 1HG THR 8 9.200 -19.484 3.234 34 HG21 THR 8 3HG2 THR 8 8.254 -18.117 1.473 35 HG22 THR 8 1HG2 THR 8 9.432 -17.784 0.203 36 HG23 THR 8 2HG2 THR 8 9.829 -17.442 1.887 37 H GLU 9 H GLU 9 6.907 -20.162 -0.757 38 HA GLU 9 HA GLU 9 8.359 -19.944 -3.286 39 HB2 GLU 9 1HB GLU 9 5.391 -20.148 -2.743 40 HB3 GLU 9 2HB GLU 9 6.135 -20.129 -4.336 41 HG2 GLU 9 1HG GLU 9 7.015 -22.191 -2.386 42 HG3 GLU 9 2HG GLU 9 5.444 -22.376 -3.165 43 H GLU 10 H GLU 10 7.556 -18.282 -4.857 44 HA GLU 10 HA GLU 10 7.922 -15.707 -3.838 45 HB2 GLU 10 1HB GLU 10 8.071 -16.679 -6.286 46 HB3 GLU 10 2HB GLU 10 6.412 -16.108 -6.385 47 HG2 GLU 10 1HG GLU 10 7.142 -13.857 -5.805 48 HG3 GLU 10 2HG GLU 10 8.806 -14.424 -5.684 49 H HIS 11 H HIS 11 6.580 -14.135 -3.137 50 HA HIS 11 HA HIS 11 4.710 -13.431 -1.970 51 HB2 HIS 11 1HB HIS 11 4.592 -12.818 -4.550 52 HB3 HIS 11 2HB HIS 11 3.175 -13.862 -4.493 53 HD2 HIS 11 2HD HIS 11 3.098 -12.185 -1.206 54 HE1 HIS 11 1HE HIS 11 1.126 -9.481 -3.813 55 HE2 HIS 11 2HE HIS 11 1.660 -10.046 -1.417 56 H VAL 12 H VAL 12 5.009 -16.047 -1.321 57 HA VAL 12 HA VAL 12 2.613 -17.548 -1.865 58 HB VAL 12 HB VAL 12 4.719 -18.726 -1.511 59 HG11 VAL 12 1HG1 VAL 12 5.621 -18.853 0.840 60 HG12 VAL 12 2HG1 VAL 12 5.875 -17.317 0.008 61 HG13 VAL 12 3HG1 VAL 12 4.602 -17.465 1.220 62 HG21 VAL 12 3HG2 VAL 12 2.710 -19.262 0.677 63 HG22 VAL 12 1HG2 VAL 12 2.639 -19.878 -0.975 64 HG23 VAL 12 2HG2 VAL 12 3.936 -20.394 0.104 65 H GLY 13 H GLY 13 3.891 -15.618 0.797 66 HA2 GLY 13 1HA GLY 13 1.819 -14.495 1.905 67 HA3 GLY 13 2HA GLY 13 1.464 -16.155 2.361 68 H SER 14 H SER 14 2.404 -16.994 4.136 69 HA SER 14 HA SER 14 3.628 -17.136 6.049 70 HB2 SER 14 1HB SER 14 5.466 -15.717 4.194 71 HB3 SER 14 2HB SER 14 5.861 -15.649 5.911 72 HG SER 14 HG SER 14 6.719 -17.533 5.520 73 H GLY 15 H GLY 15 1.527 -15.408 6.121 74 HA2 GLY 15 1HA GLY 15 0.649 -13.734 7.424 75 HA3 GLY 15 2HA GLY 15 2.158 -13.764 8.324 76 H LEU 16 H LEU 16 0.902 -12.658 5.176 77 HA LEU 16 HA LEU 16 2.473 -10.193 5.544 78 HB2 LEU 16 1HB LEU 16 2.461 -10.150 2.975 79 HB3 LEU 16 2HB LEU 16 3.584 -11.229 3.800 80 HG LEU 16 HG LEU 16 2.133 -13.127 3.326 81 HD11 LEU 16 1HD1 LEU 16 0.276 -10.993 2.543 82 HD12 LEU 16 2HD1 LEU 16 -0.046 -12.615 3.154 83 HD13 LEU 16 3HD1 LEU 16 0.332 -12.375 1.449 84 HD21 LEU 16 3HD2 LEU 16 3.400 -13.266 1.507 85 HD22 LEU 16 1HD2 LEU 16 3.467 -11.511 1.350 86 HD23 LEU 16 2HD2 LEU 16 2.133 -12.410 0.628 87 H GLU 17 H GLU 17 -0.561 -11.494 5.355 88 HA GLU 17 HA GLU 17 -2.144 -10.020 3.744 89 HB2 GLU 17 1HB GLU 17 -3.916 -10.191 5.406 90 HB3 GLU 17 2HB GLU 17 -2.991 -11.685 5.343 91 HG2 GLU 17 1HG GLU 17 -1.668 -10.715 7.313 92 HG3 GLU 17 2HG GLU 17 -3.002 -9.573 7.462 93 H CYS 18 H CYS 18 -3.016 -7.986 3.644 94 HA CYS 18 HA CYS 18 -1.507 -5.829 4.561 95 HB2 CYS 18 1HB CYS 18 -2.810 -5.272 2.741 96 HB3 CYS 18 2HB CYS 18 -4.221 -6.130 3.354 97 HA PRO 19 HA PRO 19 -2.790 -5.550 8.792 98 HB2 PRO 19 1HB PRO 19 -1.665 -3.136 9.317 99 HB3 PRO 19 2HB PRO 19 -0.724 -4.626 9.186 100 HG2 PRO 19 1HG PRO 19 -1.153 -2.473 7.151 101 HG3 PRO 19 2HG PRO 19 0.340 -3.333 7.573 102 HD2 PRO 19 1HD PRO 19 -1.139 -3.962 5.393 103 HD3 PRO 19 2HD PRO 19 -0.214 -5.175 6.302 104 H VAL 20 H VAL 20 -3.340 -2.956 6.464 105 HA VAL 20 HA VAL 20 -4.988 -1.271 7.887 106 HB VAL 20 HB VAL 20 -5.550 -2.013 5.022 107 HG11 VAL 20 1HG1 VAL 20 -5.575 0.790 5.719 108 HG12 VAL 20 2HG1 VAL 20 -6.842 -0.201 4.994 109 HG13 VAL 20 3HG1 VAL 20 -6.666 -0.137 6.748 110 HG21 VAL 20 3HG2 VAL 20 -3.793 0.199 5.143 111 HG22 VAL 20 1HG2 VAL 20 -3.082 -1.091 6.112 112 HG23 VAL 20 2HG2 VAL 20 -3.504 -1.386 4.425 113 H CYS 21 H CYS 21 -5.984 -4.104 5.967 114 HA CYS 21 HA CYS 21 -8.580 -4.039 7.348 115 HB2 CYS 21 1HB CYS 21 -9.269 -5.618 5.467 116 HB3 CYS 21 2HB CYS 21 -8.947 -3.948 5.013 117 H LYS 22 H LYS 22 -5.687 -5.856 6.903 118 HA LYS 22 HA LYS 22 -4.889 -7.729 7.923 119 HB2 LYS 22 1HB LYS 22 -7.414 -7.684 9.581 120 HB3 LYS 22 2HB LYS 22 -5.907 -8.503 9.968 121 HG2 LYS 22 1HG LYS 22 -5.836 -5.563 9.557 122 HG3 LYS 22 2HG LYS 22 -6.547 -6.187 11.047 123 HD2 LYS 22 1HD LYS 22 -4.501 -7.406 11.538 124 HD3 LYS 22 2HD LYS 22 -3.790 -6.859 10.018 125 HE2 LYS 22 1HE LYS 22 -3.456 -4.729 10.783 126 HE3 LYS 22 2HE LYS 22 -4.811 -4.804 11.909 127 HZ1 LYS 22 3HZ LYS 22 -2.164 -6.109 12.244 128 HZ2 LYS 22 1HZ LYS 22 -3.475 -6.312 13.295 129 HZ3 LYS 22 2HZ LYS 22 -2.757 -4.790 13.122 130 H GLU 23 H GLU 23 -6.345 -7.968 5.529 131 HA GLU 23 HA GLU 23 -7.886 -10.441 5.875 132 HB2 GLU 23 1HB GLU 23 -7.669 -8.516 3.559 133 HB3 GLU 23 2HB GLU 23 -8.531 -10.046 3.471 134 HG2 GLU 23 1HG GLU 23 -9.236 -8.183 5.667 135 HG3 GLU 23 2HG GLU 23 -9.752 -7.774 4.032 136 H ASP 24 H ASP 24 -6.100 -9.438 3.011 137 HA ASP 24 HA ASP 24 -3.824 -11.000 3.269 138 HB2 ASP 24 1HB ASP 24 -5.164 -12.972 3.406 139 HB3 ASP 24 2HB ASP 24 -6.159 -12.469 2.042 140 H TYR 25 H TYR 25 -2.827 -11.526 1.071 141 HA TYR 25 HA TYR 25 -3.459 -9.306 -0.740 142 HB2 TYR 25 1HB TYR 25 -0.956 -10.937 -0.321 143 HB3 TYR 25 2HB TYR 25 -1.153 -9.834 -1.679 144 HD1 TYR 25 1HD TYR 25 -2.590 -7.599 -0.333 145 HD2 TYR 25 2HD TYR 25 0.740 -9.923 0.936 146 HE1 TYR 25 1HE TYR 25 -1.827 -5.729 1.072 147 HE2 TYR 25 2HE TYR 25 1.511 -8.061 2.345 148 HH TYR 25 HH TYR 25 0.713 -5.061 2.025 149 H ALA 26 H ALA 26 -2.529 -9.976 -3.096 150 HA ALA 26 HA ALA 26 -3.159 -12.638 -3.927 151 HB1 ALA 26 3HB ALA 26 -4.996 -11.013 -5.416 152 HB2 ALA 26 1HB ALA 26 -5.303 -12.472 -4.472 153 HB3 ALA 26 2HB ALA 26 -5.339 -10.891 -3.691 154 H LEU 27 H LEU 27 -2.468 -13.067 -6.009 155 HA LEU 27 HA LEU 27 -0.398 -11.636 -7.080 156 HB2 LEU 27 1HB LEU 27 -2.353 -13.231 -8.723 157 HB3 LEU 27 2HB LEU 27 -0.660 -12.910 -9.093 158 HG LEU 27 HG LEU 27 -0.287 -14.211 -6.820 159 HD11 LEU 27 1HD1 LEU 27 -2.102 -15.149 -5.965 160 HD12 LEU 27 2HD1 LEU 27 -2.272 -16.108 -7.435 161 HD13 LEU 27 3HD1 LEU 27 -3.084 -14.548 -7.301 162 HD21 LEU 27 3HD2 LEU 27 -0.495 -16.364 -8.381 163 HD22 LEU 27 1HD2 LEU 27 0.795 -15.175 -8.565 164 HD23 LEU 27 2HD2 LEU 27 -0.617 -15.114 -9.620 165 H GLY 28 H GLY 28 -3.837 -11.354 -7.894 166 HA2 GLY 28 1HA GLY 28 -3.347 -9.297 -9.861 167 HA3 GLY 28 2HA GLY 28 -4.916 -9.871 -9.317 168 H GLU 29 H GLU 29 -3.977 -9.409 -6.466 169 HA GLU 29 HA GLU 29 -5.048 -6.775 -6.222 170 HB2 GLU 29 1HB GLU 29 -4.026 -8.846 -4.329 171 HB3 GLU 29 2HB GLU 29 -4.195 -7.194 -3.754 172 HG2 GLU 29 1HG GLU 29 -6.183 -8.346 -3.190 173 HG3 GLU 29 2HG GLU 29 -6.571 -7.256 -4.519 174 H SER 30 H SER 30 -3.943 -4.988 -6.632 175 HA SER 30 HA SER 30 -1.124 -4.882 -6.836 176 HB2 SER 30 1HB SER 30 -2.700 -3.369 -8.052 177 HB3 SER 30 2HB SER 30 -3.034 -2.554 -6.525 178 HG SER 30 HG SER 30 -1.389 -1.535 -7.821 179 H VAL 31 H VAL 31 0.163 -5.145 -5.130 180 HA VAL 31 HA VAL 31 -0.600 -3.958 -2.557 181 HB VAL 31 HB VAL 31 1.590 -5.331 -1.903 182 HG11 VAL 31 1HG1 VAL 31 -1.103 -6.613 -2.353 183 HG12 VAL 31 2HG1 VAL 31 0.142 -7.162 -1.229 184 HG13 VAL 31 3HG1 VAL 31 -0.664 -5.615 -0.967 185 HG21 VAL 31 3HG2 VAL 31 0.499 -6.828 -4.285 186 HG22 VAL 31 1HG2 VAL 31 2.065 -6.021 -4.203 187 HG23 VAL 31 2HG2 VAL 31 1.735 -7.411 -3.170 188 H ARG 32 H ARG 32 0.814 -2.629 -1.395 189 HA ARG 32 HA ARG 32 3.025 -1.481 -2.970 190 HB2 ARG 32 1HB ARG 32 1.611 0.317 -2.968 191 HB3 ARG 32 2HB ARG 32 0.807 -0.180 -1.486 192 HG2 ARG 32 1HG ARG 32 2.273 0.921 -0.153 193 HG3 ARG 32 2HG ARG 32 3.625 0.695 -1.265 194 HD2 ARG 32 1HD ARG 32 2.621 2.371 -2.773 195 HD3 ARG 32 2HD ARG 32 1.333 2.627 -1.596 196 HE ARG 32 HE ARG 32 2.787 3.852 -0.304 197 HH11 ARG 32 1HH1 ARG 32 4.549 2.189 -2.804 198 HH12 ARG 32 2HH1 ARG 32 6.029 3.041 -2.509 199 HH21 ARG 32 1HH2 ARG 32 4.729 4.980 0.094 200 HH22 ARG 32 2HH2 ARG 32 6.130 4.628 -0.859 201 H GLN 33 H GLN 33 4.951 -1.199 -1.966 202 HA GLN 33 HA GLN 33 5.148 -2.198 0.788 203 HB2 GLN 33 1HB GLN 33 6.464 -3.327 -1.029 204 HB3 GLN 33 2HB GLN 33 7.376 -1.835 -1.219 205 HG2 GLN 33 1HG GLN 33 8.559 -2.151 0.678 206 HG3 GLN 33 2HG GLN 33 7.224 -2.947 1.510 207 HE21 GLN 33 1HE2 GLN 33 8.631 -4.561 2.251 208 HE22 GLN 33 2HE2 GLN 33 9.193 -5.819 1.210 209 H LEU 34 H LEU 34 6.089 -1.018 2.400 210 HA LEU 34 HA LEU 34 6.491 1.825 1.825 211 HB2 LEU 34 1HB LEU 34 5.862 0.266 4.301 212 HB3 LEU 34 2HB LEU 34 6.518 1.897 4.415 213 HG LEU 34 HG LEU 34 3.869 1.030 3.286 214 HD11 LEU 34 1HD1 LEU 34 4.251 1.485 5.768 215 HD12 LEU 34 2HD1 LEU 34 2.927 2.341 4.978 216 HD13 LEU 34 3HD1 LEU 34 4.446 3.175 5.303 217 HD21 LEU 34 3HD2 LEU 34 5.512 3.379 2.621 218 HD22 LEU 34 1HD2 LEU 34 3.835 3.720 3.046 219 HD23 LEU 34 2HD2 LEU 34 4.201 2.615 1.721 220 HA PRO 35 HA PRO 35 10.825 1.794 2.503 221 HB2 PRO 35 1HB PRO 35 11.216 4.074 3.924 222 HB3 PRO 35 2HB PRO 35 10.795 4.072 2.207 223 HG2 PRO 35 1HG PRO 35 9.031 4.490 4.590 224 HG3 PRO 35 2HG PRO 35 9.057 5.368 3.049 225 HD2 PRO 35 1HD PRO 35 7.235 3.441 3.596 226 HD3 PRO 35 2HD PRO 35 7.845 3.741 1.956 227 H CYS 36 H CYS 36 8.744 1.056 4.903 228 HA CYS 36 HA CYS 36 10.870 0.817 6.931 229 HB2 CYS 36 1HB CYS 36 8.908 0.579 8.548 230 HB3 CYS 36 2HB CYS 36 9.177 2.178 7.862 231 H ASN 37 H ASN 37 9.800 -0.959 4.610 232 HA ASN 37 HA ASN 37 9.818 -3.208 4.219 233 HB2 ASN 37 1HB ASN 37 10.093 -3.916 7.100 234 HB3 ASN 37 2HB ASN 37 10.884 -4.615 5.690 235 HD21 ASN 37 1HD2 ASN 37 11.913 -3.601 8.290 236 HD22 ASN 37 2HD2 ASN 37 13.145 -2.466 7.869 237 H HIS 38 H HIS 38 7.437 -1.668 4.936 238 HA HIS 38 HA HIS 38 5.740 -3.888 5.870 239 HB2 HIS 38 1HB HIS 38 5.518 -0.936 6.445 240 HB3 HIS 38 2HB HIS 38 4.161 -2.039 6.658 241 HD2 HIS 38 2HD HIS 38 5.669 -4.476 8.200 242 HE1 HIS 38 1HE HIS 38 6.901 -1.474 10.933 243 HE2 HIS 38 2HE HIS 38 6.679 -3.949 10.522 244 H LEU 39 H LEU 39 4.280 -4.566 4.448 245 HA LEU 39 HA LEU 39 3.808 -2.964 2.049 246 HB2 LEU 39 1HB LEU 39 3.476 -5.852 2.744 247 HB3 LEU 39 2HB LEU 39 2.595 -5.169 1.379 248 HG LEU 39 HG LEU 39 5.545 -4.777 1.503 249 HD11 LEU 39 1HD1 LEU 39 4.396 -7.337 1.699 250 HD12 LEU 39 2HD1 LEU 39 6.075 -6.923 1.353 251 HD13 LEU 39 3HD1 LEU 39 4.932 -7.149 0.029 252 HD21 LEU 39 3HD2 LEU 39 4.370 -3.693 -0.272 253 HD22 LEU 39 1HD2 LEU 39 3.507 -5.176 -0.680 254 HD23 LEU 39 2HD2 LEU 39 5.244 -5.062 -0.961 255 H PHE 40 H PHE 40 1.622 -2.825 1.168 256 HA PHE 40 HA PHE 40 -0.624 -3.322 2.885 257 HB2 PHE 40 1HB PHE 40 0.046 -0.437 2.283 258 HB3 PHE 40 2HB PHE 40 -1.308 -1.035 3.237 259 HD1 PHE 40 2HD PHE 40 2.396 -0.861 3.151 260 HD2 PHE 40 1HD PHE 40 -1.097 -1.347 5.535 261 HE1 PHE 40 2HE PHE 40 3.768 -0.703 5.187 262 HE2 PHE 40 1HE PHE 40 0.270 -1.188 7.575 263 HZ PHE 40 HZ PHE 40 2.705 -0.867 7.403 264 H HIS 41 H HIS 41 -2.577 -3.221 1.801 265 HA HIS 41 HA HIS 41 -2.615 -3.677 -0.919 266 HB2 HIS 41 1HB HIS 41 -4.752 -2.745 0.984 267 HB3 HIS 41 2HB HIS 41 -5.099 -3.003 -0.724 268 HD2 HIS 41 2HD HIS 41 -3.596 -5.843 -1.185 269 HE1 HIS 41 1HE HIS 41 -5.923 -7.185 2.098 270 HE2 HIS 41 2HE HIS 41 -4.468 -7.872 0.161 271 H ASP 42 H ASP 42 -2.774 -2.460 -2.728 272 HA ASP 42 HA ASP 42 -1.965 0.233 -2.670 273 HB2 ASP 42 1HB ASP 42 -1.543 -1.174 -4.608 274 HB3 ASP 42 2HB ASP 42 -3.272 -1.356 -4.887 275 H SER 43 H SER 43 -4.911 -1.069 -1.885 276 HA SER 43 HA SER 43 -6.355 1.385 -2.640 277 HB2 SER 43 1HB SER 43 -7.452 -0.472 -3.646 278 HB3 SER 43 2HB SER 43 -7.338 -1.431 -2.171 279 HG SER 43 HG SER 43 -9.202 -0.636 -1.660 280 H CYS 44 H CYS 44 -4.940 -0.211 -0.078 281 HA CYS 44 HA CYS 44 -6.778 0.951 1.898 282 HB2 CYS 44 1HB CYS 44 -4.629 -1.159 2.166 283 HB3 CYS 44 2HB CYS 44 -5.511 -0.483 3.532 284 H ILE 45 H ILE 45 -3.446 0.958 0.797 285 HA ILE 45 HA ILE 45 -2.608 2.793 2.879 286 HB ILE 45 HB ILE 45 -1.202 0.925 1.636 287 HG12 ILE 45 1HG1 ILE 45 0.820 2.056 2.355 288 HG13 ILE 45 2HG1 ILE 45 0.001 3.614 2.324 289 HG21 ILE 45 1HG2 ILE 45 0.230 1.888 -0.104 290 HG22 ILE 45 2HG2 ILE 45 -1.465 1.871 -0.588 291 HG23 ILE 45 3HG2 ILE 45 -0.716 3.375 -0.053 292 HD11 ILE 45 3HD1 ILE 45 -1.121 3.214 4.273 293 HD12 ILE 45 1HD1 ILE 45 -1.078 1.463 4.069 294 HD13 ILE 45 2HD1 ILE 45 0.375 2.330 4.568 295 H VAL 46 H VAL 46 -3.073 2.853 -0.640 296 HA VAL 46 HA VAL 46 -2.221 5.328 -1.334 297 HB VAL 46 HB VAL 46 -4.500 3.665 -2.256 298 HG11 VAL 46 1HG1 VAL 46 -4.898 5.565 -3.999 299 HG12 VAL 46 2HG1 VAL 46 -5.715 5.616 -2.435 300 HG13 VAL 46 3HG1 VAL 46 -4.283 6.607 -2.716 301 HG21 VAL 46 3HG2 VAL 46 -3.204 4.401 -4.462 302 HG22 VAL 46 1HG2 VAL 46 -1.921 4.700 -3.289 303 HG23 VAL 46 2HG2 VAL 46 -2.634 3.093 -3.426 304 HA PRO 47 HA PRO 47 -6.333 7.409 0.123 305 HB2 PRO 47 1HB PRO 47 -8.006 5.918 1.656 306 HB3 PRO 47 2HB PRO 47 -8.104 5.963 -0.108 307 HG2 PRO 47 1HG PRO 47 -6.833 3.915 1.666 308 HG3 PRO 47 2HG PRO 47 -7.838 3.677 0.224 309 HD2 PRO 47 1HD PRO 47 -5.137 3.489 0.165 310 HD3 PRO 47 2HD PRO 47 -6.084 4.076 -1.217 311 H TRP 48 H TRP 48 -4.367 5.367 2.044 312 HA TRP 48 HA TRP 48 -5.010 6.658 4.555 313 HB2 TRP 48 1HB TRP 48 -4.421 4.292 4.571 314 HB3 TRP 48 2HB TRP 48 -2.861 4.653 3.837 315 HD1 TRP 48 HD TRP 48 -0.925 5.451 5.419 316 HE1 TRP 48 1HE TRP 48 -0.689 5.637 7.976 317 HE3 TRP 48 3HE TRP 48 -5.829 4.854 6.732 318 HZ2 TRP 48 2HZ TRP 48 -2.361 5.542 10.248 319 HZ3 TRP 48 3HZ TRP 48 -6.427 4.914 9.119 320 HH2 TRP 48 HH TRP 48 -4.727 5.251 10.838 321 H LEU 49 H LEU 49 -2.039 6.329 2.602 322 HA LEU 49 HA LEU 49 -0.511 8.203 3.978 323 HB2 LEU 49 1HB LEU 49 -0.312 7.766 1.014 324 HB3 LEU 49 2HB LEU 49 0.974 8.177 2.148 325 HG LEU 49 HG LEU 49 -0.448 5.520 1.976 326 HD11 LEU 49 1HD1 LEU 49 2.259 6.449 1.050 327 HD12 LEU 49 2HD1 LEU 49 0.966 5.730 0.089 328 HD13 LEU 49 3HD1 LEU 49 1.840 4.749 1.266 329 HD21 LEU 49 3HD2 LEU 49 0.417 6.354 4.252 330 HD22 LEU 49 1HD2 LEU 49 2.023 6.114 3.564 331 HD23 LEU 49 2HD2 LEU 49 0.912 4.752 3.703 332 H GLU 50 H GLU 50 -2.966 8.639 1.537 333 HA GLU 50 HA GLU 50 -2.335 11.352 0.929 334 HB2 GLU 50 1HB GLU 50 -4.815 9.689 0.495 335 HB3 GLU 50 2HB GLU 50 -4.679 11.359 -0.035 336 HG2 GLU 50 1HG GLU 50 -2.746 9.222 -0.877 337 HG3 GLU 50 2HG GLU 50 -4.220 9.593 -1.770 338 H GLN 51 H GLN 51 -3.558 9.937 3.674 339 HA GLN 51 HA GLN 51 -4.972 12.402 4.453 340 HB2 GLN 51 1HB GLN 51 -5.468 9.526 5.100 341 HB3 GLN 51 2HB GLN 51 -5.913 10.752 6.280 342 HG2 GLN 51 1HG GLN 51 -7.077 11.849 4.184 343 HG3 GLN 51 2HG GLN 51 -7.061 10.184 3.604 344 HE21 GLN 51 1HE2 GLN 51 -9.085 9.509 3.813 345 HE22 GLN 51 2HE2 GLN 51 -10.024 9.584 5.262 346 H HIS 52 H HIS 52 -2.773 9.856 5.546 347 HA HIS 52 HA HIS 52 -1.915 11.625 7.739 348 HB2 HIS 52 1HB HIS 52 -1.405 8.657 7.590 349 HB3 HIS 52 2HB HIS 52 -1.285 9.712 8.996 350 HD2 HIS 52 2HD HIS 52 -4.152 8.196 6.743 351 HE1 HIS 52 1HE HIS 52 -5.706 9.134 10.578 352 HE2 HIS 52 2HE HIS 52 -6.162 8.026 8.362 353 H ASP 53 H ASP 53 -0.898 9.760 4.977 354 HA ASP 53 HA ASP 53 1.039 9.717 3.785 355 HB2 ASP 53 1HB ASP 53 0.744 12.284 4.317 356 HB3 ASP 53 2HB ASP 53 2.155 12.016 5.337 357 H SER 54 H SER 54 0.832 8.146 6.145 358 HA SER 54 HA SER 54 3.655 7.659 6.609 359 HB2 SER 54 1HB SER 54 1.817 7.974 8.986 360 HB3 SER 54 2HB SER 54 3.567 7.757 8.995 361 HG SER 54 HG SER 54 2.867 9.954 9.324 362 H CYS 55 H CYS 55 3.781 5.690 8.261 363 HA CYS 55 HA CYS 55 2.277 3.577 7.001 364 HB2 CYS 55 1HB CYS 55 4.671 3.307 7.549 365 HB3 CYS 55 2HB CYS 55 4.285 3.450 9.261 366 HA PRO 56 HA PRO 56 -0.980 3.653 10.023 367 HB2 PRO 56 1HB PRO 56 -2.271 1.442 9.120 368 HB3 PRO 56 2HB PRO 56 -2.367 3.010 8.309 369 HG2 PRO 56 1HG PRO 56 -0.667 0.636 7.649 370 HG3 PRO 56 2HG PRO 56 -1.581 1.695 6.559 371 HD2 PRO 56 1HD PRO 56 1.090 1.942 6.927 372 HD3 PRO 56 2HD PRO 56 0.041 3.332 6.584 373 H VAL 57 H VAL 57 1.630 1.667 9.932 374 HA VAL 57 HA VAL 57 0.642 -0.016 12.142 375 HB VAL 57 HB VAL 57 2.889 -0.570 10.201 376 HG11 VAL 57 1HG1 VAL 57 3.204 -1.323 12.625 377 HG12 VAL 57 2HG1 VAL 57 1.885 -2.454 12.312 378 HG13 VAL 57 3HG1 VAL 57 3.370 -2.545 11.364 379 HG21 VAL 57 3HG2 VAL 57 0.203 -0.936 9.840 380 HG22 VAL 57 1HG2 VAL 57 1.474 -1.849 9.026 381 HG23 VAL 57 2HG2 VAL 57 0.710 -2.502 10.476 382 H CYS 58 H CYS 58 3.715 1.343 10.932 383 HA CYS 58 HA CYS 58 4.512 1.796 13.728 384 HB2 CYS 58 1HB CYS 58 6.798 1.696 13.007 385 HB3 CYS 58 2HB CYS 58 5.963 0.306 12.322 386 H ARG 59 H ARG 59 3.453 3.365 10.956 387 HA ARG 59 HA ARG 59 3.382 5.537 10.274 388 HB2 ARG 59 1HB ARG 59 3.841 6.121 13.204 389 HB3 ARG 59 2HB ARG 59 3.121 7.203 12.019 390 HG2 ARG 59 1HG ARG 59 1.877 4.543 12.554 391 HG3 ARG 59 2HG ARG 59 1.606 5.890 13.661 392 HD2 ARG 59 1HD ARG 59 1.236 6.333 10.738 393 HD3 ARG 59 2HD ARG 59 -0.004 5.448 11.625 394 HE ARG 59 HE ARG 59 0.626 8.262 11.844 395 HH11 ARG 59 1HH1 ARG 59 -0.958 5.511 13.273 396 HH12 ARG 59 2HH1 ARG 59 -2.041 6.467 14.230 397 HH21 ARG 59 1HH2 ARG 59 -0.794 9.532 13.098 398 HH22 ARG 59 2HH2 ARG 59 -1.948 8.754 14.129 399 H LYS 60 H LYS 60 5.775 4.515 9.690 400 HA LYS 60 HA LYS 60 7.928 6.083 10.784 401 HB2 LYS 60 1HB LYS 60 7.658 3.908 8.775 402 HB3 LYS 60 2HB LYS 60 9.057 4.964 8.630 403 HG2 LYS 60 1HG LYS 60 8.450 3.828 11.303 404 HG3 LYS 60 2HG LYS 60 9.113 2.752 10.070 405 HD2 LYS 60 1HD LYS 60 11.104 3.926 9.933 406 HD3 LYS 60 2HD LYS 60 10.393 5.407 10.577 407 HE2 LYS 60 1HE LYS 60 10.563 4.702 12.754 408 HE3 LYS 60 2HE LYS 60 10.487 2.995 12.320 409 HZ1 LYS 60 3HZ LYS 60 12.812 4.385 11.318 410 HZ2 LYS 60 1HZ LYS 60 12.694 2.879 12.081 411 HZ3 LYS 60 2HZ LYS 60 12.733 4.295 13.005 412 H SER 61 H SER 61 8.098 8.167 10.284 413 HA SER 61 HA SER 61 6.917 9.694 8.453 414 HB2 SER 61 1HB SER 61 8.594 10.522 10.085 415 HB3 SER 61 2HB SER 61 9.880 9.900 9.049 416 HG SER 61 HG SER 61 8.570 11.313 7.417 417 H LEU 62 H LEU 62 6.548 9.456 6.359 418 HA LEU 62 HA LEU 62 8.483 8.038 4.693 419 HB2 LEU 62 1HB LEU 62 5.755 9.031 3.905 420 HB3 LEU 62 2HB LEU 62 6.745 7.831 3.077 421 HG LEU 62 HG LEU 62 5.575 7.412 5.822 422 HD11 LEU 62 1HD1 LEU 62 4.488 6.518 3.156 423 HD12 LEU 62 2HD1 LEU 62 3.776 7.746 4.202 424 HD13 LEU 62 3HD1 LEU 62 3.857 6.069 4.740 425 HD21 LEU 62 3HD2 LEU 62 7.119 5.762 3.882 426 HD22 LEU 62 1HD2 LEU 62 5.917 4.976 4.905 427 HD23 LEU 62 2HD2 LEU 62 7.254 5.863 5.638 428 H THR 63 H THR 63 9.257 10.599 5.554 429 HA THR 63 HA THR 63 9.792 11.825 3.007 430 HB THR 63 HB THR 63 7.587 12.814 3.572 431 HG1 THR 63 1HG THR 63 9.778 14.637 3.714 432 HG21 THR 63 3HG2 THR 63 8.669 12.954 6.158 433 HG22 THR 63 1HG2 THR 63 7.099 13.549 5.620 434 HG23 THR 63 2HG2 THR 63 8.498 14.623 5.615 435 H GLY 64 H GLY 64 11.692 12.922 3.026 436 HA2 GLY 64 1HA GLY 64 12.795 13.963 5.492 437 HA3 GLY 64 2HA GLY 64 13.637 12.557 4.857 438 H GLN 65 H GLN 65 14.478 12.715 2.640 439 HA GLN 65 HA GLN 65 15.428 15.444 2.118 440 HB2 GLN 65 1HB GLN 65 16.565 12.807 1.174 441 HB3 GLN 65 2HB GLN 65 17.270 14.393 0.893 442 HG2 GLN 65 1HG GLN 65 16.768 13.432 3.677 443 HG3 GLN 65 2HG GLN 65 18.196 12.906 2.787 444 HE21 GLN 65 1HE2 GLN 65 19.585 14.616 1.917 445 HE22 GLN 65 2HE2 GLN 65 19.759 16.079 2.819 446 H ASN 66 H ASN 66 14.426 12.518 0.344 447 HA ASN 66 HA ASN 66 14.261 13.594 -2.193 448 HB2 ASN 66 1HB ASN 66 13.940 11.166 -1.477 449 HB3 ASN 66 2HB ASN 66 12.268 11.595 -1.126 450 HD21 ASN 66 1HD2 ASN 66 10.836 11.760 -2.755 451 HD22 ASN 66 2HD2 ASN 66 11.218 11.493 -4.419 452 H THR 67 H THR 67 12.185 13.967 -3.443 453 HA THR 67 HA THR 67 10.295 15.563 -1.839 454 HB THR 67 HB THR 67 10.066 17.056 -3.858 455 HG1 THR 67 1HG THR 67 12.204 15.413 -4.684 456 HG21 THR 67 3HG2 THR 67 12.901 17.191 -2.938 457 HG22 THR 67 1HG2 THR 67 11.609 17.374 -1.752 458 HG23 THR 67 2HG2 THR 67 11.715 18.483 -3.119 459 H ALA 68 H ALA 68 8.207 15.089 -2.114 460 HA ALA 68 HA ALA 68 7.476 13.019 -4.004 461 HB1 ALA 68 3HB ALA 68 5.204 13.295 -2.887 462 HB2 ALA 68 1HB ALA 68 6.531 12.718 -1.877 463 HB3 ALA 68 2HB ALA 68 6.011 14.401 -1.776 464 H THR 69 H THR 69 6.130 13.231 -5.742 465 HA THR 69 HA THR 69 5.586 15.984 -6.611 466 HB THR 69 HB THR 69 5.639 13.451 -8.263 467 HG1 THR 69 1HG THR 69 7.730 13.918 -7.723 468 HG21 THR 69 3HG2 THR 69 4.248 14.912 -9.429 469 HG22 THR 69 1HG2 THR 69 5.836 15.241 -10.122 470 HG23 THR 69 2HG2 THR 69 5.154 16.337 -8.919 471 H ASN 70 H ASN 70 4.078 12.754 -6.631 472 HA ASN 70 HA ASN 70 1.569 13.430 -7.544 473 HB2 ASN 70 1HB ASN 70 0.745 11.452 -6.296 474 HB3 ASN 70 2HB ASN 70 2.227 11.117 -7.187 475 HD21 ASN 70 1HD2 ASN 70 0.727 11.299 -4.114 476 HD22 ASN 70 2HD2 ASN 70 2.075 10.764 -3.175 477 HA PRO 71 HA PRO 71 0.352 16.238 -4.260 478 HB2 PRO 71 1HB PRO 71 -1.918 17.069 -5.495 479 HB3 PRO 71 2HB PRO 71 -0.315 17.681 -5.919 480 HG2 PRO 71 1HG PRO 71 -1.958 15.574 -7.271 481 HG3 PRO 71 2HG PRO 71 -1.007 16.886 -7.992 482 HD2 PRO 71 1HD PRO 71 -0.106 14.336 -7.862 483 HD3 PRO 71 2HD PRO 71 0.979 15.738 -7.771 484 HA PRO 72 HA PRO 72 -2.489 13.701 -2.032 485 HB2 PRO 72 1HB PRO 72 -3.429 15.546 -0.278 486 HB3 PRO 72 2HB PRO 72 -1.811 14.845 -0.159 487 HG2 PRO 72 1HG PRO 72 -2.656 17.480 -1.303 488 HG3 PRO 72 2HG PRO 72 -1.268 17.104 -0.265 489 HD2 PRO 72 1HD PRO 72 -1.038 17.424 -2.944 490 HD3 PRO 72 2HD PRO 72 -0.007 16.310 -2.023 491 H GLY 73 H GLY 73 -4.835 13.847 -1.176 492 HA2 GLY 73 1HA GLY 73 -6.480 14.926 -3.367 493 HA3 GLY 73 2HA GLY 73 -6.925 13.578 -2.331 494 H LEU 74 H LEU 74 -5.905 16.960 -1.822 495 HA LEU 74 HA LEU 74 -7.240 17.420 0.538 496 HB2 LEU 74 1HB LEU 74 -7.029 19.736 0.105 497 HB3 LEU 74 2HB LEU 74 -5.628 18.946 -0.614 498 HG LEU 74 HG LEU 74 -7.123 19.041 -2.789 499 HD11 LEU 74 1HD1 LEU 74 -8.773 20.589 -2.875 500 HD12 LEU 74 2HD1 LEU 74 -8.021 21.624 -1.662 501 HD13 LEU 74 3HD1 LEU 74 -8.906 20.183 -1.164 502 HD21 LEU 74 3HD2 LEU 74 -4.907 20.291 -1.975 503 HD22 LEU 74 1HD2 LEU 74 -5.989 21.679 -2.077 504 HD23 LEU 74 2HD2 LEU 74 -5.715 20.669 -3.497 505 H THR 75 H THR 75 -8.491 17.571 -2.752 506 HA THR 75 HA THR 75 -11.025 18.661 -2.061 507 HB THR 75 HB THR 75 -10.184 18.822 -4.345 508 HG1 THR 75 1HG THR 75 -12.139 18.487 -5.256 509 HG21 THR 75 3HG2 THR 75 -9.253 16.337 -4.108 510 HG22 THR 75 1HG2 THR 75 -9.613 17.058 -5.676 511 HG23 THR 75 2HG2 THR 75 -10.775 15.969 -4.919 512 H GLY 76 H GLY 76 -9.827 15.362 -2.542 513 HA2 GLY 76 1HA GLY 76 -11.206 13.981 -0.735 514 HA3 GLY 76 2HA GLY 76 -12.455 14.253 -1.940 515 H VAL 77 H VAL 77 -9.634 12.464 -1.099 516 HA VAL 77 HA VAL 77 -8.800 11.371 -3.479 517 HB VAL 77 HB VAL 77 -9.064 9.975 -0.813 518 HG11 VAL 77 1HG1 VAL 77 -6.927 8.953 -2.379 519 HG12 VAL 77 2HG1 VAL 77 -8.358 8.109 -1.784 520 HG13 VAL 77 3HG1 VAL 77 -8.395 8.907 -3.356 521 HG21 VAL 77 3HG2 VAL 77 -6.710 10.540 -0.536 522 HG22 VAL 77 1HG2 VAL 77 -6.710 11.356 -2.100 523 HG23 VAL 77 2HG2 VAL 77 -7.676 11.996 -0.771 524 H GLY 78 H GLY 78 -11.394 10.132 -1.368 525 HA2 GLY 78 1HA GLY 78 -13.128 9.411 -3.426 526 HA3 GLY 78 2HA GLY 78 -12.133 8.004 -3.081 Start of MODEL 12 1 H1 GLY 1 H GLY 1 2.721 -31.173 17.989 2 HA2 GLY 1 1HA GLY 1 0.809 -29.606 16.500 3 HA3 GLY 1 2HA GLY 1 2.523 -29.266 16.682 4 H SER 2 H SER 2 0.125 -30.316 14.583 5 HA SER 2 HA SER 2 1.791 -31.935 12.881 6 HB2 SER 2 1HB SER 2 -0.653 -32.303 13.039 7 HB3 SER 2 2HB SER 2 -0.924 -30.715 12.322 8 HG SER 2 HG SER 2 0.634 -31.779 10.634 9 H SER 3 H SER 3 2.672 -31.383 10.906 10 HA SER 3 HA SER 3 2.931 -28.493 10.429 11 HB2 SER 3 1HB SER 3 5.035 -29.712 10.901 12 HB3 SER 3 2HB SER 3 4.736 -30.741 9.500 13 HG SER 3 HG SER 3 4.782 -27.945 9.211 14 H GLY 4 H GLY 4 2.779 -27.662 8.317 15 HA2 GLY 4 1HA GLY 4 1.311 -29.428 6.457 16 HA3 GLY 4 2HA GLY 4 1.025 -27.700 6.606 17 H SER 5 H SER 5 2.302 -26.270 5.502 18 HA SER 5 HA SER 5 4.034 -27.460 3.469 19 HB2 SER 5 1HB SER 5 2.898 -24.662 3.700 20 HB3 SER 5 2HB SER 5 3.871 -25.255 2.354 21 HG SER 5 HG SER 5 2.206 -26.877 2.068 22 H SER 6 H SER 6 6.022 -26.233 2.868 23 HA SER 6 HA SER 6 7.274 -24.853 5.130 24 HB2 SER 6 1HB SER 6 8.500 -27.205 3.669 25 HB3 SER 6 2HB SER 6 9.334 -26.202 4.855 26 HG SER 6 HG SER 6 8.015 -28.327 5.392 27 H GLY 7 H GLY 7 8.570 -23.193 4.555 28 HA2 GLY 7 1HA GLY 7 10.218 -22.794 2.473 29 HA3 GLY 7 2HA GLY 7 8.650 -22.487 1.742 30 H THR 8 H THR 8 10.874 -20.649 2.130 31 HA THR 8 HA THR 8 9.412 -18.578 3.604 32 HB THR 8 HB THR 8 11.592 -17.712 4.500 33 HG1 THR 8 1HG THR 8 12.467 -20.126 3.333 34 HG21 THR 8 3HG2 THR 8 11.246 -20.465 5.587 35 HG22 THR 8 1HG2 THR 8 9.882 -19.351 5.665 36 HG23 THR 8 2HG2 THR 8 11.411 -18.930 6.439 37 H GLU 9 H GLU 9 8.921 -17.147 2.069 38 HA GLU 9 HA GLU 9 11.077 -16.253 0.276 39 HB2 GLU 9 1HB GLU 9 8.241 -16.972 -0.390 40 HB3 GLU 9 2HB GLU 9 9.111 -15.798 -1.368 41 HG2 GLU 9 1HG GLU 9 9.591 -17.677 -2.538 42 HG3 GLU 9 2HG GLU 9 10.935 -17.706 -1.398 43 H GLU 10 H GLU 10 10.726 -14.064 -0.608 44 HA GLU 10 HA GLU 10 10.274 -12.189 1.402 45 HB2 GLU 10 1HB GLU 10 10.550 -12.041 -1.568 46 HB3 GLU 10 2HB GLU 10 10.008 -10.610 -0.702 47 HG2 GLU 10 1HG GLU 10 12.449 -12.040 0.228 48 HG3 GLU 10 2HG GLU 10 12.539 -10.993 -1.188 49 H HIS 11 H HIS 11 8.251 -12.667 -1.500 50 HA HIS 11 HA HIS 11 5.900 -11.997 0.138 51 HB2 HIS 11 1HB HIS 11 6.218 -10.018 -1.092 52 HB3 HIS 11 2HB HIS 11 6.694 -10.891 -2.545 53 HD2 HIS 11 2HD HIS 11 3.363 -11.897 -0.797 54 HE1 HIS 11 1HE HIS 11 2.428 -9.826 -4.380 55 HE2 HIS 11 2HE HIS 11 1.506 -11.100 -2.412 56 H VAL 12 H VAL 12 5.559 -14.281 0.287 57 HA VAL 12 HA VAL 12 4.572 -15.493 -2.214 58 HB VAL 12 HB VAL 12 6.475 -16.729 -1.367 59 HG11 VAL 12 1HG1 VAL 12 6.137 -17.926 0.891 60 HG12 VAL 12 2HG1 VAL 12 6.630 -16.231 0.901 61 HG13 VAL 12 3HG1 VAL 12 4.948 -16.663 1.210 62 HG21 VAL 12 3HG2 VAL 12 4.465 -18.639 -0.488 63 HG22 VAL 12 1HG2 VAL 12 4.008 -17.801 -1.971 64 HG23 VAL 12 2HG2 VAL 12 5.531 -18.686 -1.891 65 H GLY 13 H GLY 13 3.890 -14.732 1.114 66 HA2 GLY 13 1HA GLY 13 1.396 -14.341 1.391 67 HA3 GLY 13 2HA GLY 13 1.240 -16.006 0.850 68 H SER 14 H SER 14 3.592 -14.578 3.088 69 HA SER 14 HA SER 14 2.613 -16.450 5.143 70 HB2 SER 14 1HB SER 14 5.355 -15.543 4.384 71 HB3 SER 14 2HB SER 14 5.042 -15.925 6.077 72 HG SER 14 HG SER 14 4.494 -17.659 3.897 73 H GLY 15 H GLY 15 1.378 -15.407 6.566 74 HA2 GLY 15 1HA GLY 15 0.506 -13.609 7.763 75 HA3 GLY 15 2HA GLY 15 2.104 -13.708 8.487 76 H LEU 16 H LEU 16 1.238 -12.661 5.218 77 HA LEU 16 HA LEU 16 2.506 -10.076 5.814 78 HB2 LEU 16 1HB LEU 16 2.525 -9.950 3.231 79 HB3 LEU 16 2HB LEU 16 3.699 -10.970 4.060 80 HG LEU 16 HG LEU 16 2.488 -12.952 3.473 81 HD11 LEU 16 1HD1 LEU 16 0.340 -11.021 2.844 82 HD12 LEU 16 2HD1 LEU 16 0.249 -12.641 3.536 83 HD13 LEU 16 3HD1 LEU 16 0.472 -12.435 1.798 84 HD21 LEU 16 3HD2 LEU 16 3.581 -11.152 1.572 85 HD22 LEU 16 1HD2 LEU 16 2.200 -11.959 0.828 86 HD23 LEU 16 2HD2 LEU 16 3.517 -12.914 1.509 87 H GLU 17 H GLU 17 -0.480 -11.439 5.539 88 HA GLU 17 HA GLU 17 -2.100 -10.021 3.941 89 HB2 GLU 17 1HB GLU 17 -3.823 -10.075 5.750 90 HB3 GLU 17 2HB GLU 17 -3.025 -11.617 5.474 91 HG2 GLU 17 1HG GLU 17 -1.477 -10.939 7.399 92 HG3 GLU 17 2HG GLU 17 -2.696 -9.719 7.764 93 H CYS 18 H CYS 18 -2.936 -7.997 3.741 94 HA CYS 18 HA CYS 18 -1.487 -5.795 4.605 95 HB2 CYS 18 1HB CYS 18 -2.834 -5.353 2.771 96 HB3 CYS 18 2HB CYS 18 -4.234 -6.154 3.475 97 HA PRO 19 HA PRO 19 -2.728 -5.449 8.847 98 HB2 PRO 19 1HB PRO 19 -1.578 -3.035 9.318 99 HB3 PRO 19 2HB PRO 19 -0.651 -4.536 9.210 100 HG2 PRO 19 1HG PRO 19 -1.075 -2.418 7.137 101 HG3 PRO 19 2HG PRO 19 0.413 -3.284 7.565 102 HD2 PRO 19 1HD PRO 19 -1.086 -3.941 5.408 103 HD3 PRO 19 2HD PRO 19 -0.166 -5.144 6.334 104 H VAL 20 H VAL 20 -3.300 -2.932 6.450 105 HA VAL 20 HA VAL 20 -4.922 -1.198 7.867 106 HB VAL 20 HB VAL 20 -5.507 -1.960 5.014 107 HG11 VAL 20 1HG1 VAL 20 -5.580 0.767 5.241 108 HG12 VAL 20 2HG1 VAL 20 -6.980 -0.303 5.331 109 HG13 VAL 20 3HG1 VAL 20 -6.189 0.242 6.810 110 HG21 VAL 20 3HG2 VAL 20 -3.454 -1.389 4.387 111 HG22 VAL 20 1HG2 VAL 20 -3.687 0.206 5.102 112 HG23 VAL 20 2HG2 VAL 20 -3.002 -1.102 6.067 113 H CYS 21 H CYS 21 -5.912 -4.071 6.009 114 HA CYS 21 HA CYS 21 -8.517 -3.967 7.374 115 HB2 CYS 21 1HB CYS 21 -9.217 -5.559 5.513 116 HB3 CYS 21 2HB CYS 21 -8.876 -3.900 5.035 117 H LYS 22 H LYS 22 -5.615 -5.763 7.020 118 HA LYS 22 HA LYS 22 -4.832 -7.639 8.043 119 HB2 LYS 22 1HB LYS 22 -7.363 -7.500 9.691 120 HB3 LYS 22 2HB LYS 22 -5.910 -8.410 10.083 121 HG2 LYS 22 1HG LYS 22 -5.638 -5.486 9.669 122 HG3 LYS 22 2HG LYS 22 -6.419 -6.048 11.149 123 HD2 LYS 22 1HD LYS 22 -4.477 -7.392 11.698 124 HD3 LYS 22 2HD LYS 22 -3.704 -6.939 10.177 125 HE2 LYS 22 1HE LYS 22 -3.233 -4.813 10.895 126 HE3 LYS 22 2HE LYS 22 -4.585 -4.778 12.025 127 HZ1 LYS 22 3HZ LYS 22 -2.022 -5.128 12.732 128 HZ2 LYS 22 1HZ LYS 22 -2.550 -6.732 12.643 129 HZ3 LYS 22 2HZ LYS 22 -3.342 -5.636 13.658 130 H GLU 23 H GLU 23 -6.273 -7.914 5.648 131 HA GLU 23 HA GLU 23 -7.825 -10.375 6.026 132 HB2 GLU 23 1HB GLU 23 -7.592 -8.497 3.673 133 HB3 GLU 23 2HB GLU 23 -8.472 -10.017 3.622 134 HG2 GLU 23 1HG GLU 23 -9.150 -8.093 5.774 135 HG3 GLU 23 2HG GLU 23 -9.666 -7.719 4.131 136 H ASP 24 H ASP 24 -6.033 -9.425 3.149 137 HA ASP 24 HA ASP 24 -3.768 -11.007 3.450 138 HB2 ASP 24 1HB ASP 24 -4.344 -12.979 2.073 139 HB3 ASP 24 2HB ASP 24 -5.269 -12.920 3.571 140 H TYR 25 H TYR 25 -2.750 -11.551 1.262 141 HA TYR 25 HA TYR 25 -3.309 -9.310 -0.547 142 HB2 TYR 25 1HB TYR 25 -0.855 -11.001 -0.088 143 HB3 TYR 25 2HB TYR 25 -1.006 -9.922 -1.470 144 HD1 TYR 25 1HD TYR 25 -2.386 -7.614 -0.208 145 HD2 TYR 25 2HD TYR 25 0.836 -10.015 1.191 146 HE1 TYR 25 1HE TYR 25 -1.592 -5.736 1.169 147 HE2 TYR 25 2HE TYR 25 1.638 -8.144 2.572 148 HH TYR 25 HH TYR 25 0.401 -4.956 2.244 149 H ALA 26 H ALA 26 -2.306 -10.037 -2.888 150 HA ALA 26 HA ALA 26 -3.028 -12.662 -3.737 151 HB1 ALA 26 3HB ALA 26 -5.007 -12.275 -4.918 152 HB2 ALA 26 1HB ALA 26 -5.258 -11.457 -3.375 153 HB3 ALA 26 2HB ALA 26 -4.836 -10.523 -4.811 154 H LEU 27 H LEU 27 -1.910 -13.134 -5.526 155 HA LEU 27 HA LEU 27 0.063 -11.705 -6.629 156 HB2 LEU 27 1HB LEU 27 -1.831 -13.579 -8.024 157 HB3 LEU 27 2HB LEU 27 -0.381 -12.938 -8.794 158 HG LEU 27 HG LEU 27 -0.300 -14.529 -6.240 159 HD11 LEU 27 1HD1 LEU 27 0.461 -15.796 -8.796 160 HD12 LEU 27 2HD1 LEU 27 -1.265 -15.604 -8.491 161 HD13 LEU 27 3HD1 LEU 27 -0.261 -16.497 -7.348 162 HD21 LEU 27 3HD2 LEU 27 1.927 -14.502 -8.167 163 HD22 LEU 27 1HD2 LEU 27 1.945 -14.425 -6.405 164 HD23 LEU 27 2HD2 LEU 27 1.604 -12.973 -7.348 165 H GLY 28 H GLY 28 -3.302 -11.595 -7.786 166 HA2 GLY 28 1HA GLY 28 -2.742 -9.554 -9.725 167 HA3 GLY 28 2HA GLY 28 -4.331 -10.139 -9.255 168 H GLU 29 H GLU 29 -3.795 -9.591 -6.395 169 HA GLU 29 HA GLU 29 -4.880 -6.997 -6.274 170 HB2 GLU 29 1HB GLU 29 -3.776 -8.914 -4.262 171 HB3 GLU 29 2HB GLU 29 -4.100 -7.258 -3.771 172 HG2 GLU 29 1HG GLU 29 -6.406 -7.465 -4.272 173 HG3 GLU 29 2HG GLU 29 -6.155 -9.006 -5.091 174 H SER 30 H SER 30 -3.896 -5.131 -6.623 175 HA SER 30 HA SER 30 -1.088 -4.862 -6.840 176 HB2 SER 30 1HB SER 30 -2.794 -3.441 -8.026 177 HB3 SER 30 2HB SER 30 -3.098 -2.627 -6.491 178 HG SER 30 HG SER 30 -0.900 -2.000 -6.479 179 H VAL 31 H VAL 31 0.172 -5.139 -5.106 180 HA VAL 31 HA VAL 31 -0.619 -3.920 -2.555 181 HB VAL 31 HB VAL 31 1.551 -5.285 -1.845 182 HG11 VAL 31 1HG1 VAL 31 -1.191 -6.447 -2.315 183 HG12 VAL 31 2HG1 VAL 31 0.053 -7.197 -1.312 184 HG13 VAL 31 3HG1 VAL 31 -0.615 -5.627 -0.864 185 HG21 VAL 31 3HG2 VAL 31 0.511 -6.860 -4.199 186 HG22 VAL 31 1HG2 VAL 31 2.037 -5.976 -4.167 187 HG23 VAL 31 2HG2 VAL 31 1.789 -7.346 -3.085 188 H ARG 32 H ARG 32 0.819 -2.610 -1.379 189 HA ARG 32 HA ARG 32 3.027 -1.470 -2.963 190 HB2 ARG 32 1HB ARG 32 1.642 0.343 -2.967 191 HB3 ARG 32 2HB ARG 32 0.804 -0.159 -1.505 192 HG2 ARG 32 1HG ARG 32 2.236 0.939 -0.138 193 HG3 ARG 32 2HG ARG 32 3.619 0.691 -1.206 194 HD2 ARG 32 1HD ARG 32 2.689 2.376 -2.749 195 HD3 ARG 32 2HD ARG 32 1.366 2.652 -1.617 196 HE ARG 32 HE ARG 32 3.479 3.120 -0.066 197 HH11 ARG 32 1HH1 ARG 32 2.747 4.186 -3.298 198 HH12 ARG 32 2HH1 ARG 32 3.620 5.674 -3.145 199 HH21 ARG 32 1HH2 ARG 32 4.632 5.077 0.148 200 HH22 ARG 32 2HH2 ARG 32 4.693 6.180 -1.185 201 H GLN 33 H GLN 33 4.957 -1.214 -1.967 202 HA GLN 33 HA GLN 33 5.146 -2.179 0.800 203 HB2 GLN 33 1HB GLN 33 6.437 -3.361 -0.997 204 HB3 GLN 33 2HB GLN 33 7.370 -1.888 -1.222 205 HG2 GLN 33 1HG GLN 33 8.559 -2.182 0.675 206 HG3 GLN 33 2HG GLN 33 7.219 -2.944 1.529 207 HE21 GLN 33 1HE2 GLN 33 8.710 -4.515 2.284 208 HE22 GLN 33 2HE2 GLN 33 9.209 -5.818 1.267 209 H LEU 34 H LEU 34 6.138 -0.999 2.388 210 HA LEU 34 HA LEU 34 6.582 1.830 1.769 211 HB2 LEU 34 1HB LEU 34 5.945 0.328 4.281 212 HB3 LEU 34 2HB LEU 34 6.602 1.962 4.347 213 HG LEU 34 HG LEU 34 3.966 1.089 3.178 214 HD11 LEU 34 1HD1 LEU 34 4.274 1.427 5.686 215 HD12 LEU 34 2HD1 LEU 34 2.972 2.321 4.903 216 HD13 LEU 34 3HD1 LEU 34 4.481 3.138 5.310 217 HD21 LEU 34 3HD2 LEU 34 4.019 3.838 3.129 218 HD22 LEU 34 1HD2 LEU 34 4.202 2.774 1.734 219 HD23 LEU 34 2HD2 LEU 34 5.630 3.398 2.561 220 HA PRO 35 HA PRO 35 10.916 1.721 2.440 221 HB2 PRO 35 1HB PRO 35 11.355 4.021 3.812 222 HB3 PRO 35 2HB PRO 35 10.932 3.992 2.096 223 HG2 PRO 35 1HG PRO 35 9.180 4.496 4.471 224 HG3 PRO 35 2HG PRO 35 9.223 5.341 2.912 225 HD2 PRO 35 1HD PRO 35 7.362 3.464 3.501 226 HD3 PRO 35 2HD PRO 35 7.976 3.717 1.855 227 H CYS 36 H CYS 36 8.823 1.079 4.858 228 HA CYS 36 HA CYS 36 10.941 0.852 6.894 229 HB2 CYS 36 1HB CYS 36 8.958 0.647 8.500 230 HB3 CYS 36 2HB CYS 36 9.261 2.236 7.803 231 H ASN 37 H ASN 37 9.796 -0.953 4.599 232 HA ASN 37 HA ASN 37 9.814 -3.210 4.248 233 HB2 ASN 37 1HB ASN 37 10.113 -3.851 7.146 234 HB3 ASN 37 2HB ASN 37 10.863 -4.611 5.745 235 HD21 ASN 37 1HD2 ASN 37 12.278 -2.917 4.489 236 HD22 ASN 37 2HD2 ASN 37 13.403 -2.064 5.485 237 H HIS 38 H HIS 38 7.440 -1.693 4.833 238 HA HIS 38 HA HIS 38 5.736 -3.865 5.859 239 HB2 HIS 38 1HB HIS 38 5.511 -0.900 6.373 240 HB3 HIS 38 2HB HIS 38 4.172 -2.013 6.637 241 HD2 HIS 38 2HD HIS 38 5.719 -4.391 8.220 242 HE1 HIS 38 1HE HIS 38 6.991 -1.308 10.843 243 HE2 HIS 38 2HE HIS 38 6.771 -3.795 10.506 244 H LEU 39 H LEU 39 4.267 -4.555 4.453 245 HA LEU 39 HA LEU 39 3.791 -2.978 2.035 246 HB2 LEU 39 1HB LEU 39 3.495 -5.862 2.751 247 HB3 LEU 39 2HB LEU 39 2.584 -5.202 1.395 248 HG LEU 39 HG LEU 39 5.531 -4.771 1.472 249 HD11 LEU 39 1HD1 LEU 39 4.860 -7.175 0.038 250 HD12 LEU 39 2HD1 LEU 39 4.462 -7.333 1.748 251 HD13 LEU 39 3HD1 LEU 39 6.102 -6.905 1.261 252 HD21 LEU 39 3HD2 LEU 39 5.168 -5.119 -0.997 253 HD22 LEU 39 1HD2 LEU 39 4.372 -3.708 -0.300 254 HD23 LEU 39 2HD2 LEU 39 3.438 -5.161 -0.656 255 H PHE 40 H PHE 40 1.624 -2.780 1.179 256 HA PHE 40 HA PHE 40 -0.625 -3.307 2.895 257 HB2 PHE 40 1HB PHE 40 0.027 -0.422 2.274 258 HB3 PHE 40 2HB PHE 40 -1.312 -1.025 3.245 259 HD1 PHE 40 2HD PHE 40 2.395 -0.874 3.119 260 HD2 PHE 40 1HD PHE 40 -1.082 -1.273 5.543 261 HE1 PHE 40 2HE PHE 40 3.787 -0.695 5.140 262 HE2 PHE 40 1HE PHE 40 0.305 -1.093 7.567 263 HZ PHE 40 HZ PHE 40 2.743 -0.805 7.368 264 H HIS 41 H HIS 41 -2.573 -3.244 1.811 265 HA HIS 41 HA HIS 41 -2.610 -3.695 -0.911 266 HB2 HIS 41 1HB HIS 41 -4.761 -2.786 0.989 267 HB3 HIS 41 2HB HIS 41 -5.100 -3.073 -0.715 268 HD2 HIS 41 2HD HIS 41 -3.570 -5.891 -1.155 269 HE1 HIS 41 1HE HIS 41 -5.834 -7.233 2.173 270 HE2 HIS 41 2HE HIS 41 -4.393 -7.918 0.224 271 H ASP 42 H ASP 42 -2.696 -2.474 -2.705 272 HA ASP 42 HA ASP 42 -1.958 0.226 -2.647 273 HB2 ASP 42 1HB ASP 42 -1.523 -1.182 -4.586 274 HB3 ASP 42 2HB ASP 42 -3.252 -1.365 -4.871 275 H SER 43 H SER 43 -4.915 -1.143 -1.936 276 HA SER 43 HA SER 43 -6.377 1.306 -2.665 277 HB2 SER 43 1HB SER 43 -7.411 -0.610 -3.673 278 HB3 SER 43 2HB SER 43 -7.358 -1.508 -2.156 279 HG SER 43 HG SER 43 -8.658 0.833 -1.834 280 H CYS 44 H CYS 44 -4.903 -0.195 -0.109 281 HA CYS 44 HA CYS 44 -6.773 0.933 1.862 282 HB2 CYS 44 1HB CYS 44 -4.639 -1.189 2.136 283 HB3 CYS 44 2HB CYS 44 -5.508 -0.500 3.504 284 H ILE 45 H ILE 45 -3.458 0.963 0.736 285 HA ILE 45 HA ILE 45 -2.605 2.776 2.834 286 HB ILE 45 HB ILE 45 -1.197 0.922 1.593 287 HG12 ILE 45 1HG1 ILE 45 0.852 2.164 2.181 288 HG13 ILE 45 2HG1 ILE 45 -0.086 3.649 2.297 289 HG21 ILE 45 1HG2 ILE 45 0.206 1.883 -0.182 290 HG22 ILE 45 2HG2 ILE 45 -1.494 1.814 -0.642 291 HG23 ILE 45 3HG2 ILE 45 -0.776 3.347 -0.149 292 HD11 ILE 45 3HD1 ILE 45 -0.671 1.240 3.985 293 HD12 ILE 45 1HD1 ILE 45 0.482 2.486 4.464 294 HD13 ILE 45 2HD1 ILE 45 -1.215 2.901 4.216 295 H VAL 46 H VAL 46 -3.050 2.863 -0.690 296 HA VAL 46 HA VAL 46 -2.221 5.344 -1.366 297 HB VAL 46 HB VAL 46 -4.495 3.680 -2.295 298 HG11 VAL 46 1HG1 VAL 46 -5.709 5.647 -2.421 299 HG12 VAL 46 2HG1 VAL 46 -4.282 6.627 -2.763 300 HG13 VAL 46 3HG1 VAL 46 -4.947 5.571 -4.010 301 HG21 VAL 46 3HG2 VAL 46 -1.897 3.968 -3.037 302 HG22 VAL 46 1HG2 VAL 46 -3.170 3.327 -4.075 303 HG23 VAL 46 2HG2 VAL 46 -2.706 5.024 -4.194 304 HA PRO 47 HA PRO 47 -6.337 7.396 0.131 305 HB2 PRO 47 1HB PRO 47 -7.978 5.891 1.684 306 HB3 PRO 47 2HB PRO 47 -8.098 5.935 -0.079 307 HG2 PRO 47 1HG PRO 47 -6.788 3.897 1.680 308 HG3 PRO 47 2HG PRO 47 -7.809 3.652 0.250 309 HD2 PRO 47 1HD PRO 47 -5.108 3.486 0.158 310 HD3 PRO 47 2HD PRO 47 -6.076 4.064 -1.213 311 H TRP 48 H TRP 48 -4.381 5.323 2.056 312 HA TRP 48 HA TRP 48 -4.988 6.618 4.565 313 HB2 TRP 48 1HB TRP 48 -4.385 4.296 4.664 314 HB3 TRP 48 2HB TRP 48 -2.898 4.588 3.765 315 HD1 TRP 48 HD TRP 48 -0.800 5.434 5.112 316 HE1 TRP 48 1HE TRP 48 -0.300 5.682 7.625 317 HE3 TRP 48 3HE TRP 48 -5.545 4.905 6.939 318 HZ2 TRP 48 2HZ TRP 48 -1.729 5.657 10.059 319 HZ3 TRP 48 3HZ TRP 48 -5.893 5.030 9.371 320 HH2 TRP 48 HH TRP 48 -4.024 5.398 10.898 321 H LEU 49 H LEU 49 -2.018 6.322 2.605 322 HA LEU 49 HA LEU 49 -0.494 8.198 3.960 323 HB2 LEU 49 1HB LEU 49 -0.363 7.819 0.984 324 HB3 LEU 49 2HB LEU 49 0.945 8.231 2.091 325 HG LEU 49 HG LEU 49 -0.440 5.556 1.913 326 HD11 LEU 49 1HD1 LEU 49 2.194 6.572 0.891 327 HD12 LEU 49 2HD1 LEU 49 0.907 5.760 0.000 328 HD13 LEU 49 3HD1 LEU 49 1.882 4.857 1.160 329 HD21 LEU 49 3HD2 LEU 49 2.102 5.993 3.388 330 HD22 LEU 49 1HD2 LEU 49 0.815 4.820 3.669 331 HD23 LEU 49 2HD2 LEU 49 0.597 6.501 4.156 332 H GLU 50 H GLU 50 -2.981 8.657 1.545 333 HA GLU 50 HA GLU 50 -2.402 11.388 0.994 334 HB2 GLU 50 1HB GLU 50 -4.831 9.664 0.553 335 HB3 GLU 50 2HB GLU 50 -4.811 11.369 0.127 336 HG2 GLU 50 1HG GLU 50 -2.733 10.826 -1.245 337 HG3 GLU 50 2HG GLU 50 -3.184 9.135 -1.031 338 H GLN 51 H GLN 51 -3.316 10.029 3.800 339 HA GLN 51 HA GLN 51 -4.739 12.457 4.659 340 HB2 GLN 51 1HB GLN 51 -5.422 9.591 5.136 341 HB3 GLN 51 2HB GLN 51 -5.768 10.758 6.405 342 HG2 GLN 51 1HG GLN 51 -6.861 12.069 4.378 343 HG3 GLN 51 2HG GLN 51 -6.999 10.435 3.732 344 HE21 GLN 51 1HE2 GLN 51 -9.124 10.068 3.920 345 HE22 GLN 51 2HE2 GLN 51 -10.005 10.109 5.406 346 H HIS 52 H HIS 52 -2.685 9.740 5.602 347 HA HIS 52 HA HIS 52 -1.772 11.300 7.925 348 HB2 HIS 52 1HB HIS 52 -1.315 8.351 7.490 349 HB3 HIS 52 2HB HIS 52 -1.160 9.263 8.988 350 HD2 HIS 52 2HD HIS 52 -4.055 7.957 6.653 351 HE1 HIS 52 1HE HIS 52 -5.595 8.678 10.540 352 HE2 HIS 52 2HE HIS 52 -6.066 7.711 8.262 353 H ASP 53 H ASP 53 -0.857 10.021 4.886 354 HA ASP 53 HA ASP 53 1.115 9.914 3.744 355 HB2 ASP 53 1HB ASP 53 2.478 11.870 3.850 356 HB3 ASP 53 2HB ASP 53 0.821 12.390 4.151 357 H SER 54 H SER 54 0.927 8.283 6.130 358 HA SER 54 HA SER 54 3.758 7.738 6.464 359 HB2 SER 54 1HB SER 54 2.009 8.129 8.902 360 HB3 SER 54 2HB SER 54 3.736 7.772 8.875 361 HG SER 54 HG SER 54 2.410 10.166 8.476 362 H CYS 55 H CYS 55 3.940 5.746 8.058 363 HA CYS 55 HA CYS 55 2.388 3.661 6.846 364 HB2 CYS 55 1HB CYS 55 4.760 3.335 7.404 365 HB3 CYS 55 2HB CYS 55 4.390 3.541 9.112 366 HA PRO 56 HA PRO 56 -0.904 3.763 9.823 367 HB2 PRO 56 1HB PRO 56 -2.171 1.525 8.950 368 HB3 PRO 56 2HB PRO 56 -2.263 3.074 8.103 369 HG2 PRO 56 1HG PRO 56 -0.541 0.695 7.520 370 HG3 PRO 56 2HG PRO 56 -1.445 1.725 6.395 371 HD2 PRO 56 1HD PRO 56 1.219 1.994 6.796 372 HD3 PRO 56 2HD PRO 56 0.169 3.371 6.407 373 H VAL 57 H VAL 57 1.721 1.800 9.824 374 HA VAL 57 HA VAL 57 0.711 0.177 12.070 375 HB VAL 57 HB VAL 57 2.963 -0.466 10.160 376 HG11 VAL 57 1HG1 VAL 57 3.024 -1.172 12.708 377 HG12 VAL 57 2HG1 VAL 57 1.925 -2.429 12.135 378 HG13 VAL 57 3HG1 VAL 57 3.534 -2.274 11.429 379 HG21 VAL 57 3HG2 VAL 57 0.288 -0.772 9.739 380 HG22 VAL 57 1HG2 VAL 57 1.545 -1.763 9.000 381 HG23 VAL 57 2HG2 VAL 57 0.717 -2.327 10.451 382 H CYS 58 H CYS 58 3.874 1.285 10.840 383 HA CYS 58 HA CYS 58 4.702 1.800 13.601 384 HB2 CYS 58 1HB CYS 58 6.955 1.746 12.816 385 HB3 CYS 58 2HB CYS 58 6.121 0.394 12.056 386 H ARG 59 H ARG 59 3.612 3.427 10.837 387 HA ARG 59 HA ARG 59 3.433 5.621 10.261 388 HB2 ARG 59 1HB ARG 59 3.826 5.888 13.241 389 HB3 ARG 59 2HB ARG 59 3.461 7.256 12.197 390 HG2 ARG 59 1HG ARG 59 1.384 6.670 13.006 391 HG3 ARG 59 2HG ARG 59 1.432 5.840 11.450 392 HD2 ARG 59 1HD ARG 59 0.645 4.187 12.861 393 HD3 ARG 59 2HD ARG 59 2.376 3.855 12.827 394 HE ARG 59 HE ARG 59 2.510 4.450 15.044 395 HH11 ARG 59 1HH1 ARG 59 -0.591 5.378 13.763 396 HH12 ARG 59 2HH1 ARG 59 -1.261 5.769 15.312 397 HH21 ARG 59 1HH2 ARG 59 1.640 4.961 17.090 398 HH22 ARG 59 2HH2 ARG 59 0.010 5.532 17.204 399 H LYS 60 H LYS 60 5.875 4.578 9.675 400 HA LYS 60 HA LYS 60 8.009 6.197 10.703 401 HB2 LYS 60 1HB LYS 60 7.732 4.047 8.665 402 HB3 LYS 60 2HB LYS 60 9.114 5.125 8.517 403 HG2 LYS 60 1HG LYS 60 8.564 3.932 11.178 404 HG3 LYS 60 2HG LYS 60 9.225 2.890 9.916 405 HD2 LYS 60 1HD LYS 60 11.213 4.027 9.829 406 HD3 LYS 60 2HD LYS 60 10.492 5.546 10.365 407 HE2 LYS 60 1HE LYS 60 10.142 4.336 12.610 408 HE3 LYS 60 2HE LYS 60 11.308 3.165 11.997 409 HZ1 LYS 60 3HZ LYS 60 11.876 6.069 12.090 410 HZ2 LYS 60 1HZ LYS 60 12.973 4.797 11.881 411 HZ3 LYS 60 2HZ LYS 60 12.229 5.035 13.381 412 H SER 61 H SER 61 8.384 8.228 10.143 413 HA SER 61 HA SER 61 7.043 9.758 8.337 414 HB2 SER 61 1HB SER 61 8.956 10.336 10.075 415 HB3 SER 61 2HB SER 61 9.970 10.289 8.633 416 HG SER 61 HG SER 61 7.580 11.735 8.528 417 H LEU 62 H LEU 62 6.680 9.338 6.260 418 HA LEU 62 HA LEU 62 8.684 8.023 4.628 419 HB2 LEU 62 1HB LEU 62 6.003 9.065 3.749 420 HB3 LEU 62 2HB LEU 62 6.997 7.842 2.962 421 HG LEU 62 HG LEU 62 5.671 7.478 5.646 422 HD11 LEU 62 1HD1 LEU 62 4.727 6.954 2.868 423 HD12 LEU 62 2HD1 LEU 62 3.837 7.549 4.269 424 HD13 LEU 62 3HD1 LEU 62 4.272 5.844 4.161 425 HD21 LEU 62 3HD2 LEU 62 7.205 5.835 5.728 426 HD22 LEU 62 1HD2 LEU 62 7.508 5.888 3.991 427 HD23 LEU 62 2HD2 LEU 62 6.111 5.012 4.616 428 H THR 63 H THR 63 9.453 10.575 5.540 429 HA THR 63 HA THR 63 10.103 11.807 3.024 430 HB THR 63 HB THR 63 7.898 12.825 3.471 431 HG1 THR 63 1HG THR 63 8.702 14.603 2.656 432 HG21 THR 63 3HG2 THR 63 8.878 12.945 6.130 433 HG22 THR 63 1HG2 THR 63 7.291 13.422 5.528 434 HG23 THR 63 2HG2 THR 63 8.604 14.599 5.585 435 H GLY 64 H GLY 64 11.871 13.203 3.156 436 HA2 GLY 64 1HA GLY 64 12.922 14.061 5.689 437 HA3 GLY 64 2HA GLY 64 13.822 12.715 5.004 438 H GLN 65 H GLN 65 14.797 13.007 2.893 439 HA GLN 65 HA GLN 65 16.291 15.332 2.676 440 HB2 GLN 65 1HB GLN 65 15.574 13.329 0.530 441 HB3 GLN 65 2HB GLN 65 16.823 14.556 0.368 442 HG2 GLN 65 1HG GLN 65 16.879 12.565 2.602 443 HG3 GLN 65 2HG GLN 65 17.525 12.182 1.007 444 HE21 GLN 65 1HE2 GLN 65 19.378 11.954 2.700 445 HE22 GLN 65 2HE2 GLN 65 20.412 13.332 2.825 446 H ASN 66 H ASN 66 16.275 17.018 1.073 447 HA ASN 66 HA ASN 66 13.751 18.258 0.800 448 HB2 ASN 66 1HB ASN 66 16.521 18.842 -0.153 449 HB3 ASN 66 2HB ASN 66 15.182 19.716 -0.891 450 HD21 ASN 66 1HD2 ASN 66 16.795 19.003 2.141 451 HD22 ASN 66 2HD2 ASN 66 16.254 20.416 2.976 452 H THR 67 H THR 67 12.206 17.482 -0.482 453 HA THR 67 HA THR 67 12.862 16.973 -3.294 454 HB THR 67 HB THR 67 11.392 14.992 -3.338 455 HG1 THR 67 1HG THR 67 10.221 15.612 -1.372 456 HG21 THR 67 3HG2 THR 67 12.961 13.460 -2.479 457 HG22 THR 67 1HG2 THR 67 13.487 14.576 -1.220 458 HG23 THR 67 2HG2 THR 67 13.907 14.887 -2.904 459 H ALA 68 H ALA 68 11.155 17.323 -4.751 460 HA ALA 68 HA ALA 68 9.365 19.381 -4.061 461 HB1 ALA 68 3HB ALA 68 8.456 19.115 -6.293 462 HB2 ALA 68 1HB ALA 68 10.217 19.019 -6.338 463 HB3 ALA 68 2HB ALA 68 9.249 17.548 -6.453 464 H THR 69 H THR 69 8.157 18.669 -2.270 465 HA THR 69 HA THR 69 6.657 16.303 -2.160 466 HB THR 69 HB THR 69 5.290 17.497 -0.419 467 HG1 THR 69 1HG THR 69 6.730 19.640 -1.477 468 HG21 THR 69 3HG2 THR 69 7.094 16.343 0.480 469 HG22 THR 69 1HG2 THR 69 7.373 17.984 1.058 470 HG23 THR 69 2HG2 THR 69 8.282 17.369 -0.323 471 H ASN 70 H ASN 70 4.593 15.780 -2.739 472 HA ASN 70 HA ASN 70 3.186 17.737 -4.431 473 HB2 ASN 70 1HB ASN 70 2.815 14.746 -4.544 474 HB3 ASN 70 2HB ASN 70 2.337 15.947 -5.740 475 HD21 ASN 70 1HD2 ASN 70 4.206 17.247 -6.634 476 HD22 ASN 70 2HD2 ASN 70 5.637 16.362 -7.028 477 HA PRO 71 HA PRO 71 -0.160 17.736 -1.573 478 HB2 PRO 71 1HB PRO 71 -2.163 18.489 -3.243 479 HB3 PRO 71 2HB PRO 71 -0.911 19.603 -2.680 480 HG2 PRO 71 1HG PRO 71 -1.112 18.139 -5.284 481 HG3 PRO 71 2HG PRO 71 -0.645 19.822 -4.980 482 HD2 PRO 71 1HD PRO 71 1.170 17.868 -5.447 483 HD3 PRO 71 2HD PRO 71 1.507 19.249 -4.384 484 HA PRO 72 HA PRO 72 -1.789 13.614 -2.192 485 HB2 PRO 72 1HB PRO 72 -3.048 13.466 0.209 486 HB3 PRO 72 2HB PRO 72 -1.304 13.249 0.024 487 HG2 PRO 72 1HG PRO 72 -2.830 15.674 0.893 488 HG3 PRO 72 2HG PRO 72 -1.336 14.994 1.562 489 HD2 PRO 72 1HD PRO 72 -1.346 17.120 -0.115 490 HD3 PRO 72 2HD PRO 72 -0.022 15.937 -0.081 491 H GLY 73 H GLY 73 -3.322 13.885 -3.796 492 HA2 GLY 73 1HA GLY 73 -5.379 14.296 -4.751 493 HA3 GLY 73 2HA GLY 73 -5.984 13.617 -3.248 494 H LEU 74 H LEU 74 -7.809 15.081 -3.715 495 HA LEU 74 HA LEU 74 -7.918 17.743 -3.950 496 HB2 LEU 74 1HB LEU 74 -9.966 17.763 -2.742 497 HB3 LEU 74 2HB LEU 74 -9.850 16.219 -3.583 498 HG LEU 74 HG LEU 74 -8.971 16.348 -0.741 499 HD11 LEU 74 1HD1 LEU 74 -11.286 17.521 -1.173 500 HD12 LEU 74 2HD1 LEU 74 -11.063 16.409 0.177 501 HD13 LEU 74 3HD1 LEU 74 -11.851 15.856 -1.300 502 HD21 LEU 74 3HD2 LEU 74 -10.134 14.080 -0.829 503 HD22 LEU 74 1HD2 LEU 74 -8.649 14.262 -1.763 504 HD23 LEU 74 2HD2 LEU 74 -10.213 14.320 -2.576 505 H THR 75 H THR 75 -7.610 19.578 -2.752 506 HA THR 75 HA THR 75 -5.607 19.607 -0.812 507 HB THR 75 HB THR 75 -6.396 21.957 -0.329 508 HG1 THR 75 1HG THR 75 -8.133 21.681 -2.529 509 HG21 THR 75 3HG2 THR 75 -4.963 20.996 -2.407 510 HG22 THR 75 1HG2 THR 75 -5.263 22.712 -2.136 511 HG23 THR 75 2HG2 THR 75 -6.266 21.810 -3.272 512 H GLY 76 H GLY 76 -5.780 20.406 1.434 513 HA2 GLY 76 1HA GLY 76 -6.911 20.612 3.490 514 HA3 GLY 76 2HA GLY 76 -8.322 19.856 2.764 515 H VAL 77 H VAL 77 -5.419 19.371 4.538 516 HA VAL 77 HA VAL 77 -6.221 16.647 5.131 517 HB VAL 77 HB VAL 77 -3.499 17.237 3.960 518 HG11 VAL 77 1HG1 VAL 77 -3.552 14.576 4.137 519 HG12 VAL 77 2HG1 VAL 77 -2.933 15.603 5.432 520 HG13 VAL 77 3HG1 VAL 77 -4.574 14.962 5.521 521 HG21 VAL 77 3HG2 VAL 77 -5.937 15.844 2.918 522 HG22 VAL 77 1HG2 VAL 77 -4.919 17.052 2.133 523 HG23 VAL 77 2HG2 VAL 77 -4.331 15.402 2.337 524 H GLY 78 H GLY 78 -6.156 16.514 7.270 525 HA2 GLY 78 1HA GLY 78 -4.118 16.575 8.977 526 HA3 GLY 78 2HA GLY 78 -4.415 18.296 8.783 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -5.677 -18.761 4.105 2 HA2 GLY 1 1HA GLY 1 -3.228 -17.317 3.667 3 HA3 GLY 1 2HA GLY 1 -3.339 -17.998 5.283 4 H SER 2 H SER 2 -1.362 -19.123 4.451 5 HA SER 2 HA SER 2 -1.923 -21.340 2.639 6 HB2 SER 2 1HB SER 2 0.144 -20.100 2.260 7 HB3 SER 2 2HB SER 2 0.666 -20.423 3.914 8 HG SER 2 HG SER 2 0.070 -22.746 2.797 9 H SER 3 H SER 3 -1.990 -23.448 3.231 10 HA SER 3 HA SER 3 -2.089 -23.992 6.101 11 HB2 SER 3 1HB SER 3 -3.233 -26.058 5.491 12 HB3 SER 3 2HB SER 3 -3.998 -24.691 4.680 13 HG SER 3 HG SER 3 -2.846 -26.872 3.606 14 H GLY 4 H GLY 4 -0.125 -24.433 6.911 15 HA2 GLY 4 1HA GLY 4 1.963 -25.373 7.150 16 HA3 GLY 4 2HA GLY 4 1.160 -26.829 6.580 17 H SER 5 H SER 5 3.201 -24.147 5.723 18 HA SER 5 HA SER 5 3.507 -25.166 2.995 19 HB2 SER 5 1HB SER 5 3.139 -22.743 3.266 20 HB3 SER 5 2HB SER 5 4.596 -22.636 4.255 21 HG SER 5 HG SER 5 5.215 -22.102 2.216 22 H SER 6 H SER 6 5.760 -25.209 2.113 23 HA SER 6 HA SER 6 7.585 -26.350 4.124 24 HB2 SER 6 1HB SER 6 6.921 -28.031 2.532 25 HB3 SER 6 2HB SER 6 7.280 -26.962 1.177 26 HG SER 6 HG SER 6 8.894 -28.683 2.074 27 H GLY 7 H GLY 7 8.549 -24.355 4.651 28 HA2 GLY 7 1HA GLY 7 10.640 -23.234 4.365 29 HA3 GLY 7 2HA GLY 7 10.478 -23.447 2.628 30 H THR 8 H THR 8 10.322 -21.523 1.698 31 HA THR 8 HA THR 8 8.153 -19.767 2.322 32 HB THR 8 HB THR 8 10.927 -18.666 2.804 33 HG1 THR 8 1HG THR 8 10.667 -19.504 4.728 34 HG21 THR 8 3HG2 THR 8 9.885 -16.720 2.435 35 HG22 THR 8 1HG2 THR 8 9.037 -17.003 3.955 36 HG23 THR 8 2HG2 THR 8 8.296 -17.484 2.429 37 H GLU 9 H GLU 9 7.500 -19.467 0.286 38 HA GLU 9 HA GLU 9 9.496 -18.971 -1.801 39 HB2 GLU 9 1HB GLU 9 7.776 -20.747 -2.150 40 HB3 GLU 9 2HB GLU 9 6.537 -19.500 -2.104 41 HG2 GLU 9 1HG GLU 9 6.857 -19.804 -4.362 42 HG3 GLU 9 2HG GLU 9 7.885 -18.414 -4.018 43 H GLU 10 H GLU 10 9.211 -17.234 -3.302 44 HA GLU 10 HA GLU 10 8.884 -14.745 -2.240 45 HB2 GLU 10 1HB GLU 10 8.548 -15.751 -5.050 46 HB3 GLU 10 2HB GLU 10 8.307 -14.051 -4.672 47 HG2 GLU 10 1HG GLU 10 10.593 -14.708 -5.507 48 HG3 GLU 10 2HG GLU 10 10.541 -13.765 -4.019 49 H HIS 11 H HIS 11 7.244 -13.487 -1.623 50 HA HIS 11 HA HIS 11 5.101 -13.025 -0.927 51 HB2 HIS 11 1HB HIS 11 5.457 -12.213 -3.416 52 HB3 HIS 11 2HB HIS 11 4.229 -13.428 -3.758 53 HD2 HIS 11 2HD HIS 11 3.823 -11.352 -0.500 54 HE1 HIS 11 1HE HIS 11 0.983 -9.957 -3.327 55 HE2 HIS 11 2HE HIS 11 1.821 -9.780 -0.958 56 H VAL 12 H VAL 12 5.635 -15.707 -0.488 57 HA VAL 12 HA VAL 12 3.668 -17.433 -1.592 58 HB VAL 12 HB VAL 12 5.709 -18.339 -0.630 59 HG11 VAL 12 1HG1 VAL 12 5.076 -16.593 1.525 60 HG12 VAL 12 2HG1 VAL 12 5.171 -18.241 2.149 61 HG13 VAL 12 3HG1 VAL 12 6.536 -17.548 1.271 62 HG21 VAL 12 3HG2 VAL 12 3.420 -19.552 -0.563 63 HG22 VAL 12 1HG2 VAL 12 4.775 -20.226 0.342 64 HG23 VAL 12 2HG2 VAL 12 3.527 -19.302 1.179 65 H GLY 13 H GLY 13 3.544 -15.016 0.810 66 HA2 GLY 13 1HA GLY 13 1.505 -14.212 1.704 67 HA3 GLY 13 2HA GLY 13 0.793 -15.796 1.439 68 H SER 14 H SER 14 3.785 -14.880 3.118 69 HA SER 14 HA SER 14 2.932 -16.475 5.404 70 HB2 SER 14 1HB SER 14 5.533 -15.426 4.399 71 HB3 SER 14 2HB SER 14 5.376 -15.681 6.137 72 HG SER 14 HG SER 14 5.152 -17.565 4.046 73 H GLY 15 H GLY 15 1.555 -15.366 6.678 74 HA2 GLY 15 1HA GLY 15 0.644 -13.551 7.819 75 HA3 GLY 15 2HA GLY 15 2.219 -13.632 8.594 76 H LEU 16 H LEU 16 1.175 -12.546 5.366 77 HA LEU 16 HA LEU 16 2.519 -9.983 5.919 78 HB2 LEU 16 1HB LEU 16 2.553 -9.892 3.326 79 HB3 LEU 16 2HB LEU 16 3.745 -10.862 4.188 80 HG LEU 16 HG LEU 16 2.562 -12.888 3.647 81 HD11 LEU 16 1HD1 LEU 16 0.416 -11.005 2.947 82 HD12 LEU 16 2HD1 LEU 16 0.328 -12.653 3.567 83 HD13 LEU 16 3HD1 LEU 16 0.616 -12.371 1.850 84 HD21 LEU 16 3HD2 LEU 16 2.378 -11.911 0.965 85 HD22 LEU 16 1HD2 LEU 16 3.615 -12.934 1.696 86 HD23 LEU 16 2HD2 LEU 16 3.769 -11.178 1.766 87 H GLU 17 H GLU 17 -0.452 -11.384 5.598 88 HA GLU 17 HA GLU 17 -2.058 -9.987 3.969 89 HB2 GLU 17 1HB GLU 17 -3.827 -10.094 5.694 90 HB3 GLU 17 2HB GLU 17 -2.946 -11.607 5.533 91 HG2 GLU 17 1HG GLU 17 -1.557 -10.881 7.500 92 HG3 GLU 17 2HG GLU 17 -2.704 -9.559 7.716 93 H CYS 18 H CYS 18 -2.941 -7.977 3.767 94 HA CYS 18 HA CYS 18 -1.523 -5.753 4.635 95 HB2 CYS 18 1HB CYS 18 -2.861 -5.349 2.781 96 HB3 CYS 18 2HB CYS 18 -4.263 -6.144 3.490 97 HA PRO 19 HA PRO 19 -2.815 -5.425 8.865 98 HB2 PRO 19 1HB PRO 19 -1.679 -3.008 9.353 99 HB3 PRO 19 2HB PRO 19 -0.746 -4.507 9.255 100 HG2 PRO 19 1HG PRO 19 -1.150 -2.387 7.180 101 HG3 PRO 19 2HG PRO 19 0.335 -3.248 7.625 102 HD2 PRO 19 1HD PRO 19 -1.135 -3.908 5.448 103 HD3 PRO 19 2HD PRO 19 -0.223 -5.110 6.385 104 H VAL 20 H VAL 20 -3.358 -2.899 6.470 105 HA VAL 20 HA VAL 20 -5.005 -1.175 7.866 106 HB VAL 20 HB VAL 20 -5.539 -1.940 5.003 107 HG11 VAL 20 1HG1 VAL 20 -6.970 -0.247 5.144 108 HG12 VAL 20 2HG1 VAL 20 -6.428 0.139 6.779 109 HG13 VAL 20 3HG1 VAL 20 -5.596 0.831 5.386 110 HG21 VAL 20 3HG2 VAL 20 -3.765 0.245 5.081 111 HG22 VAL 20 1HG2 VAL 20 -3.077 -1.002 6.121 112 HG23 VAL 20 2HG2 VAL 20 -3.465 -1.371 4.441 113 H CYS 21 H CYS 21 -5.959 -4.055 6.002 114 HA CYS 21 HA CYS 21 -8.580 -3.960 7.338 115 HB2 CYS 21 1HB CYS 21 -9.268 -5.535 5.463 116 HB3 CYS 21 2HB CYS 21 -8.911 -3.877 4.991 117 H LYS 22 H LYS 22 -5.655 -5.692 7.093 118 HA LYS 22 HA LYS 22 -4.881 -7.591 8.077 119 HB2 LYS 22 1HB LYS 22 -7.422 -7.510 9.710 120 HB3 LYS 22 2HB LYS 22 -5.927 -8.340 10.121 121 HG2 LYS 22 1HG LYS 22 -5.808 -5.409 9.673 122 HG3 LYS 22 2HG LYS 22 -6.559 -5.997 11.159 123 HD2 LYS 22 1HD LYS 22 -4.549 -7.222 11.728 124 HD3 LYS 22 2HD LYS 22 -3.801 -6.759 10.198 125 HE2 LYS 22 1HE LYS 22 -3.426 -4.605 10.878 126 HE3 LYS 22 2HE LYS 22 -4.790 -4.605 11.995 127 HZ1 LYS 22 3HZ LYS 22 -3.144 -6.462 13.059 128 HZ2 LYS 22 1HZ LYS 22 -3.234 -4.847 13.556 129 HZ3 LYS 22 2HZ LYS 22 -2.044 -5.329 12.455 130 H GLU 23 H GLU 23 -6.278 -7.883 5.671 131 HA GLU 23 HA GLU 23 -7.836 -10.344 6.039 132 HB2 GLU 23 1HB GLU 23 -7.588 -8.473 3.681 133 HB3 GLU 23 2HB GLU 23 -8.474 -9.991 3.637 134 HG2 GLU 23 1HG GLU 23 -9.152 -8.048 5.772 135 HG3 GLU 23 2HG GLU 23 -9.661 -7.686 4.124 136 H ASP 24 H ASP 24 -6.003 -9.373 3.191 137 HA ASP 24 HA ASP 24 -3.740 -10.945 3.502 138 HB2 ASP 24 1HB ASP 24 -4.395 -12.875 1.971 139 HB3 ASP 24 2HB ASP 24 -5.033 -12.925 3.612 140 H TYR 25 H TYR 25 -2.737 -11.526 1.300 141 HA TYR 25 HA TYR 25 -3.284 -9.285 -0.513 142 HB2 TYR 25 1HB TYR 25 -0.839 -10.988 -0.053 143 HB3 TYR 25 2HB TYR 25 -0.988 -9.916 -1.441 144 HD1 TYR 25 1HD TYR 25 -2.320 -7.576 -0.229 145 HD2 TYR 25 2HD TYR 25 0.831 -10.020 1.255 146 HE1 TYR 25 1HE TYR 25 -1.511 -5.695 1.133 147 HE2 TYR 25 2HE TYR 25 1.648 -8.146 2.622 148 HH TYR 25 HH TYR 25 0.372 -5.922 3.648 149 H ALA 26 H ALA 26 -2.285 -10.032 -2.853 150 HA ALA 26 HA ALA 26 -3.059 -12.656 -3.680 151 HB1 ALA 26 3HB ALA 26 -4.755 -11.138 -5.313 152 HB2 ALA 26 1HB ALA 26 -5.214 -12.322 -4.088 153 HB3 ALA 26 2HB ALA 26 -5.077 -10.616 -3.659 154 H LEU 27 H LEU 27 -2.046 -13.187 -5.532 155 HA LEU 27 HA LEU 27 0.026 -11.827 -6.601 156 HB2 LEU 27 1HB LEU 27 -1.901 -13.594 -8.099 157 HB3 LEU 27 2HB LEU 27 -0.311 -13.115 -8.690 158 HG LEU 27 HG LEU 27 -0.666 -14.641 -6.124 159 HD11 LEU 27 1HD1 LEU 27 -1.674 -15.772 -8.201 160 HD12 LEU 27 2HD1 LEU 27 -0.519 -16.682 -7.229 161 HD13 LEU 27 3HD1 LEU 27 -0.003 -15.937 -8.742 162 HD21 LEU 27 3HD2 LEU 27 1.494 -13.363 -7.018 163 HD22 LEU 27 1HD2 LEU 27 1.695 -14.879 -7.897 164 HD23 LEU 27 2HD2 LEU 27 1.591 -14.889 -6.136 165 H GLY 28 H GLY 28 -3.342 -11.595 -7.709 166 HA2 GLY 28 1HA GLY 28 -2.686 -9.583 -9.676 167 HA3 GLY 28 2HA GLY 28 -4.293 -10.169 -9.276 168 H GLU 29 H GLU 29 -3.696 -9.625 -6.364 169 HA GLU 29 HA GLU 29 -4.866 -7.053 -6.252 170 HB2 GLU 29 1HB GLU 29 -3.802 -8.999 -4.265 171 HB3 GLU 29 2HB GLU 29 -4.025 -7.336 -3.739 172 HG2 GLU 29 1HG GLU 29 -6.391 -7.532 -4.642 173 HG3 GLU 29 2HG GLU 29 -6.091 -9.267 -4.736 174 H SER 30 H SER 30 -3.892 -5.190 -6.651 175 HA SER 30 HA SER 30 -1.100 -4.868 -6.845 176 HB2 SER 30 1HB SER 30 -2.679 -3.441 -8.070 177 HB3 SER 30 2HB SER 30 -3.250 -2.755 -6.549 178 HG SER 30 HG SER 30 -1.319 -1.837 -7.992 179 H VAL 31 H VAL 31 0.185 -5.124 -5.127 180 HA VAL 31 HA VAL 31 -0.613 -3.940 -2.561 181 HB VAL 31 HB VAL 31 1.574 -5.290 -1.872 182 HG11 VAL 31 1HG1 VAL 31 0.120 -7.173 -1.267 183 HG12 VAL 31 2HG1 VAL 31 -0.642 -5.619 -0.925 184 HG13 VAL 31 3HG1 VAL 31 -1.127 -6.547 -2.345 185 HG21 VAL 31 3HG2 VAL 31 1.832 -7.335 -3.123 186 HG22 VAL 31 1HG2 VAL 31 0.524 -6.875 -4.213 187 HG23 VAL 31 2HG2 VAL 31 2.034 -5.964 -4.214 188 H ARG 32 H ARG 32 0.817 -2.622 -1.384 189 HA ARG 32 HA ARG 32 3.015 -1.460 -2.967 190 HB2 ARG 32 1HB ARG 32 1.587 0.327 -2.977 191 HB3 ARG 32 2HB ARG 32 0.791 -0.163 -1.488 192 HG2 ARG 32 1HG ARG 32 2.244 0.969 -0.172 193 HG3 ARG 32 2HG ARG 32 3.603 0.719 -1.268 194 HD2 ARG 32 1HD ARG 32 2.621 2.373 -2.813 195 HD3 ARG 32 2HD ARG 32 1.322 2.653 -1.654 196 HE ARG 32 HE ARG 32 2.749 3.955 -0.430 197 HH11 ARG 32 1HH1 ARG 32 4.602 2.023 -2.655 198 HH12 ARG 32 2HH1 ARG 32 6.099 2.822 -2.306 199 HH21 ARG 32 1HH2 ARG 32 4.713 5.015 0.039 200 HH22 ARG 32 2HH2 ARG 32 6.161 4.523 -0.773 201 H GLN 33 H GLN 33 4.944 -1.230 -1.976 202 HA GLN 33 HA GLN 33 5.132 -2.174 0.796 203 HB2 GLN 33 1HB GLN 33 6.431 -3.347 -1.010 204 HB3 GLN 33 2HB GLN 33 7.366 -1.872 -1.213 205 HG2 GLN 33 1HG GLN 33 8.535 -2.181 0.694 206 HG3 GLN 33 2HG GLN 33 7.189 -2.957 1.526 207 HE21 GLN 33 1HE2 GLN 33 8.718 -4.513 2.273 208 HE22 GLN 33 2HE2 GLN 33 9.216 -5.811 1.247 209 H LEU 34 H LEU 34 6.086 -0.979 2.387 210 HA LEU 34 HA LEU 34 6.532 1.847 1.761 211 HB2 LEU 34 1HB LEU 34 5.864 0.346 4.262 212 HB3 LEU 34 2HB LEU 34 6.549 1.967 4.350 213 HG LEU 34 HG LEU 34 3.888 1.123 3.235 214 HD11 LEU 34 1HD1 LEU 34 2.972 2.502 4.887 215 HD12 LEU 34 2HD1 LEU 34 4.507 3.315 5.188 216 HD13 LEU 34 3HD1 LEU 34 4.279 1.644 5.703 217 HD21 LEU 34 3HD2 LEU 34 3.890 3.797 2.905 218 HD22 LEU 34 1HD2 LEU 34 4.270 2.650 1.620 219 HD23 LEU 34 2HD2 LEU 34 5.572 3.433 2.515 220 HA PRO 35 HA PRO 35 10.862 1.762 2.462 221 HB2 PRO 35 1HB PRO 35 11.281 4.061 3.843 222 HB3 PRO 35 2HB PRO 35 10.868 4.034 2.124 223 HG2 PRO 35 1HG PRO 35 9.100 4.523 4.489 224 HG3 PRO 35 2HG PRO 35 9.147 5.372 2.934 225 HD2 PRO 35 1HD PRO 35 7.293 3.485 3.507 226 HD3 PRO 35 2HD PRO 35 7.915 3.744 1.864 227 H CYS 36 H CYS 36 8.757 1.104 4.866 228 HA CYS 36 HA CYS 36 10.864 0.881 6.914 229 HB2 CYS 36 1HB CYS 36 8.892 0.680 8.517 230 HB3 CYS 36 2HB CYS 36 9.159 2.264 7.797 231 H ASN 37 H ASN 37 9.795 -0.928 4.610 232 HA ASN 37 HA ASN 37 9.808 -3.183 4.254 233 HB2 ASN 37 1HB ASN 37 10.082 -3.845 7.146 234 HB3 ASN 37 2HB ASN 37 10.869 -4.571 5.747 235 HD21 ASN 37 1HD2 ASN 37 11.224 -2.504 8.348 236 HD22 ASN 37 2HD2 ASN 37 12.724 -1.773 7.898 237 H HIS 38 H HIS 38 7.427 -1.639 4.918 238 HA HIS 38 HA HIS 38 5.727 -3.837 5.897 239 HB2 HIS 38 1HB HIS 38 5.502 -0.874 6.417 240 HB3 HIS 38 2HB HIS 38 4.149 -1.976 6.653 241 HD2 HIS 38 2HD HIS 38 5.671 -4.379 8.238 242 HE1 HIS 38 1HE HIS 38 6.889 -1.321 10.914 243 HE2 HIS 38 2HE HIS 38 6.680 -3.804 10.549 244 H LEU 39 H LEU 39 4.276 -4.540 4.480 245 HA LEU 39 HA LEU 39 3.801 -2.970 2.058 246 HB2 LEU 39 1HB LEU 39 3.514 -5.852 2.785 247 HB3 LEU 39 2HB LEU 39 2.597 -5.202 1.427 248 HG LEU 39 HG LEU 39 5.546 -4.768 1.505 249 HD11 LEU 39 1HD1 LEU 39 4.486 -7.325 1.780 250 HD12 LEU 39 2HD1 LEU 39 6.115 -6.900 1.257 251 HD13 LEU 39 3HD1 LEU 39 4.847 -7.166 0.061 252 HD21 LEU 39 3HD2 LEU 39 3.461 -5.152 -0.633 253 HD22 LEU 39 1HD2 LEU 39 5.193 -5.084 -0.962 254 HD23 LEU 39 2HD2 LEU 39 4.374 -3.690 -0.258 255 H PHE 40 H PHE 40 1.632 -2.803 1.185 256 HA PHE 40 HA PHE 40 -0.620 -3.317 2.898 257 HB2 PHE 40 1HB PHE 40 0.027 -0.435 2.260 258 HB3 PHE 40 2HB PHE 40 -1.317 -1.033 3.227 259 HD1 PHE 40 2HD PHE 40 2.385 -0.832 3.122 260 HD2 PHE 40 1HD PHE 40 -1.093 -1.309 5.528 261 HE1 PHE 40 2HE PHE 40 3.765 -0.636 5.149 262 HE2 PHE 40 1HE PHE 40 0.281 -1.112 7.560 263 HZ PHE 40 HZ PHE 40 2.714 -0.777 7.372 264 H HIS 41 H HIS 41 -2.579 -3.221 1.814 265 HA HIS 41 HA HIS 41 -2.601 -3.708 -0.908 266 HB2 HIS 41 1HB HIS 41 -4.757 -2.791 0.983 267 HB3 HIS 41 2HB HIS 41 -5.093 -3.077 -0.722 268 HD2 HIS 41 2HD HIS 41 -3.584 -5.899 -1.169 269 HE1 HIS 41 1HE HIS 41 -5.827 -7.235 2.175 270 HE2 HIS 41 2HE HIS 41 -4.403 -7.924 0.215 271 H ASP 42 H ASP 42 -2.734 -2.501 -2.718 272 HA ASP 42 HA ASP 42 -1.977 0.201 -2.675 273 HB2 ASP 42 1HB ASP 42 -1.546 -1.229 -4.603 274 HB3 ASP 42 2HB ASP 42 -3.276 -1.398 -4.891 275 H SER 43 H SER 43 -4.923 -1.152 -1.927 276 HA SER 43 HA SER 43 -6.386 1.294 -2.671 277 HB2 SER 43 1HB SER 43 -7.471 -0.550 -3.696 278 HB3 SER 43 2HB SER 43 -7.325 -1.542 -2.246 279 HG SER 43 HG SER 43 -8.783 0.866 -2.189 280 H CYS 44 H CYS 44 -4.889 -0.158 -0.125 281 HA CYS 44 HA CYS 44 -6.775 0.946 1.847 282 HB2 CYS 44 1HB CYS 44 -4.645 -1.180 2.134 283 HB3 CYS 44 2HB CYS 44 -5.537 -0.499 3.491 284 H ILE 45 H ILE 45 -3.462 0.970 0.722 285 HA ILE 45 HA ILE 45 -2.601 2.770 2.829 286 HB ILE 45 HB ILE 45 -1.200 0.916 1.584 287 HG12 ILE 45 1HG1 ILE 45 0.840 2.094 2.223 288 HG13 ILE 45 2HG1 ILE 45 -0.025 3.627 2.238 289 HG21 ILE 45 1HG2 ILE 45 -1.497 1.814 -0.650 290 HG22 ILE 45 2HG2 ILE 45 -0.773 3.343 -0.154 291 HG23 ILE 45 3HG2 ILE 45 0.205 1.875 -0.191 292 HD11 ILE 45 3HD1 ILE 45 -1.105 3.149 4.205 293 HD12 ILE 45 1HD1 ILE 45 -0.946 1.406 3.996 294 HD13 ILE 45 2HD1 ILE 45 0.457 2.371 4.457 295 H VAL 46 H VAL 46 -3.061 2.872 -0.692 296 HA VAL 46 HA VAL 46 -2.218 5.357 -1.354 297 HB VAL 46 HB VAL 46 -4.479 3.690 -2.303 298 HG11 VAL 46 1HG1 VAL 46 -5.700 5.668 -2.386 299 HG12 VAL 46 2HG1 VAL 46 -4.281 6.643 -2.772 300 HG13 VAL 46 3HG1 VAL 46 -4.977 5.575 -3.991 301 HG21 VAL 46 3HG2 VAL 46 -2.997 3.232 -3.893 302 HG22 VAL 46 1HG2 VAL 46 -2.896 4.937 -4.333 303 HG23 VAL 46 2HG2 VAL 46 -1.839 4.286 -3.081 304 HA PRO 47 HA PRO 47 -6.338 7.406 0.132 305 HB2 PRO 47 1HB PRO 47 -7.996 5.894 1.659 306 HB3 PRO 47 2HB PRO 47 -8.102 5.953 -0.105 307 HG2 PRO 47 1HG PRO 47 -6.812 3.896 1.648 308 HG3 PRO 47 2HG PRO 47 -7.822 3.666 0.208 309 HD2 PRO 47 1HD PRO 47 -5.120 3.492 0.136 310 HD3 PRO 47 2HD PRO 47 -6.076 4.085 -1.237 311 H TRP 48 H TRP 48 -4.353 5.359 2.028 312 HA TRP 48 HA TRP 48 -4.992 6.625 4.552 313 HB2 TRP 48 1HB TRP 48 -4.404 4.294 4.635 314 HB3 TRP 48 2HB TRP 48 -2.903 4.589 3.761 315 HD1 TRP 48 HD TRP 48 -0.818 5.381 5.149 316 HE1 TRP 48 1HE TRP 48 -0.358 5.621 7.670 317 HE3 TRP 48 3HE TRP 48 -5.603 4.938 6.893 318 HZ2 TRP 48 2HZ TRP 48 -1.829 5.622 10.079 319 HZ3 TRP 48 3HZ TRP 48 -5.991 5.069 9.319 320 HH2 TRP 48 HH TRP 48 -4.141 5.403 10.878 321 H LEU 49 H LEU 49 -2.016 6.321 2.601 322 HA LEU 49 HA LEU 49 -0.490 8.184 3.978 323 HB2 LEU 49 1HB LEU 49 -0.328 7.807 1.003 324 HB3 LEU 49 2HB LEU 49 0.971 8.202 2.127 325 HG LEU 49 HG LEU 49 -0.438 5.542 1.908 326 HD11 LEU 49 1HD1 LEU 49 0.973 5.790 0.029 327 HD12 LEU 49 2HD1 LEU 49 1.866 4.807 1.189 328 HD13 LEU 49 3HD1 LEU 49 2.257 6.516 0.995 329 HD21 LEU 49 3HD2 LEU 49 2.068 5.936 3.452 330 HD22 LEU 49 1HD2 LEU 49 0.755 4.783 3.694 331 HD23 LEU 49 2HD2 LEU 49 0.552 6.465 4.184 332 H GLU 50 H GLU 50 -2.912 8.656 1.487 333 HA GLU 50 HA GLU 50 -2.316 11.397 0.995 334 HB2 GLU 50 1HB GLU 50 -4.727 9.680 0.426 335 HB3 GLU 50 2HB GLU 50 -4.670 11.386 0.004 336 HG2 GLU 50 1HG GLU 50 -2.468 10.747 -1.209 337 HG3 GLU 50 2HG GLU 50 -3.108 9.107 -1.122 338 H GLN 51 H GLN 51 -3.362 9.990 3.734 339 HA GLN 51 HA GLN 51 -4.882 12.379 4.542 340 HB2 GLN 51 1HB GLN 51 -5.446 9.490 5.006 341 HB3 GLN 51 2HB GLN 51 -5.851 10.625 6.286 342 HG2 GLN 51 1HG GLN 51 -6.983 11.916 4.270 343 HG3 GLN 51 2HG GLN 51 -7.042 10.289 3.595 344 HE21 GLN 51 1HE2 GLN 51 -8.808 12.453 5.200 345 HE22 GLN 51 2HE2 GLN 51 -9.836 11.411 6.117 346 H HIS 52 H HIS 52 -2.623 9.849 5.475 347 HA HIS 52 HA HIS 52 -1.871 11.459 7.825 348 HB2 HIS 52 1HB HIS 52 -1.280 8.524 7.463 349 HB3 HIS 52 2HB HIS 52 -1.193 9.473 8.943 350 HD2 HIS 52 2HD HIS 52 -3.979 7.980 6.590 351 HE1 HIS 52 1HE HIS 52 -5.632 8.741 10.422 352 HE2 HIS 52 2HE HIS 52 -6.010 7.690 8.165 353 H ASP 53 H ASP 53 -0.789 9.939 4.905 354 HA ASP 53 HA ASP 53 1.173 10.015 3.756 355 HB2 ASP 53 1HB ASP 53 2.113 12.235 5.549 356 HB3 ASP 53 2HB ASP 53 2.416 11.998 3.831 357 H SER 54 H SER 54 0.958 8.307 6.073 358 HA SER 54 HA SER 54 3.783 7.778 6.454 359 HB2 SER 54 1HB SER 54 2.040 7.997 8.907 360 HB3 SER 54 2HB SER 54 3.795 7.845 8.826 361 HG SER 54 HG SER 54 3.923 9.928 8.664 362 H CYS 55 H CYS 55 3.802 5.802 8.222 363 HA CYS 55 HA CYS 55 2.325 3.714 6.869 364 HB2 CYS 55 1HB CYS 55 4.680 3.356 7.439 365 HB3 CYS 55 2HB CYS 55 4.311 3.575 9.147 366 HA PRO 56 HA PRO 56 -1.007 3.756 9.798 367 HB2 PRO 56 1HB PRO 56 -2.226 1.497 8.916 368 HB3 PRO 56 2HB PRO 56 -2.327 3.039 8.060 369 HG2 PRO 56 1HG PRO 56 -0.561 0.684 7.516 370 HG3 PRO 56 2HG PRO 56 -1.462 1.695 6.371 371 HD2 PRO 56 1HD PRO 56 1.191 2.006 6.814 372 HD3 PRO 56 2HD PRO 56 0.126 3.365 6.401 373 H VAL 57 H VAL 57 1.639 1.804 9.826 374 HA VAL 57 HA VAL 57 0.623 0.197 12.080 375 HB VAL 57 HB VAL 57 2.879 -0.446 10.176 376 HG11 VAL 57 1HG1 VAL 57 3.178 -1.114 12.621 377 HG12 VAL 57 2HG1 VAL 57 1.839 -2.232 12.355 378 HG13 VAL 57 3HG1 VAL 57 3.322 -2.390 11.412 379 HG21 VAL 57 3HG2 VAL 57 0.631 -2.308 10.530 380 HG22 VAL 57 1HG2 VAL 57 0.226 -0.780 9.747 381 HG23 VAL 57 2HG2 VAL 57 1.479 -1.816 9.064 382 H CYS 58 H CYS 58 3.832 1.202 10.892 383 HA CYS 58 HA CYS 58 4.636 1.754 13.642 384 HB2 CYS 58 1HB CYS 58 6.891 1.769 12.832 385 HB3 CYS 58 2HB CYS 58 6.078 0.391 12.098 386 H ARG 59 H ARG 59 3.574 3.405 10.860 387 HA ARG 59 HA ARG 59 3.335 5.605 10.339 388 HB2 ARG 59 1HB ARG 59 3.742 5.822 13.320 389 HB3 ARG 59 2HB ARG 59 3.385 7.214 12.307 390 HG2 ARG 59 1HG ARG 59 1.308 6.613 13.120 391 HG3 ARG 59 2HG ARG 59 1.343 5.846 11.531 392 HD2 ARG 59 1HD ARG 59 0.553 4.140 12.873 393 HD3 ARG 59 2HD ARG 59 2.283 3.802 12.826 394 HE ARG 59 HE ARG 59 2.348 4.155 15.076 395 HH11 ARG 59 1HH1 ARG 59 -0.488 5.714 13.793 396 HH12 ARG 59 2HH1 ARG 59 -1.095 6.180 15.348 397 HH21 ARG 59 1HH2 ARG 59 1.561 4.764 17.128 398 HH22 ARG 59 2HH2 ARG 59 0.072 5.640 17.244 399 H LYS 60 H LYS 60 5.830 4.528 9.817 400 HA LYS 60 HA LYS 60 7.943 6.165 10.815 401 HB2 LYS 60 1HB LYS 60 7.661 4.085 8.698 402 HB3 LYS 60 2HB LYS 60 9.054 5.155 8.619 403 HG2 LYS 60 1HG LYS 60 8.481 3.900 11.234 404 HG3 LYS 60 2HG LYS 60 9.070 2.847 9.946 405 HD2 LYS 60 1HD LYS 60 11.081 3.511 10.761 406 HD3 LYS 60 2HD LYS 60 10.800 4.867 9.667 407 HE2 LYS 60 1HE LYS 60 11.492 5.749 11.779 408 HE3 LYS 60 2HE LYS 60 9.776 6.102 11.576 409 HZ1 LYS 60 3HZ LYS 60 10.860 4.968 13.759 410 HZ2 LYS 60 1HZ LYS 60 10.327 3.604 12.911 411 HZ3 LYS 60 2HZ LYS 60 9.234 4.830 13.316 412 H SER 61 H SER 61 8.584 8.114 10.169 413 HA SER 61 HA SER 61 7.132 9.725 8.448 414 HB2 SER 61 1HB SER 61 9.037 10.270 10.196 415 HB3 SER 61 2HB SER 61 10.065 10.226 8.763 416 HG SER 61 HG SER 61 7.803 11.879 9.210 417 H LEU 62 H LEU 62 6.742 9.234 6.381 418 HA LEU 62 HA LEU 62 8.723 7.950 4.723 419 HB2 LEU 62 1HB LEU 62 6.094 9.108 3.837 420 HB3 LEU 62 2HB LEU 62 7.042 7.847 3.052 421 HG LEU 62 HG LEU 62 5.683 7.520 5.723 422 HD11 LEU 62 1HD1 LEU 62 4.766 6.680 2.977 423 HD12 LEU 62 2HD1 LEU 62 4.004 7.882 4.018 424 HD13 LEU 62 3HD1 LEU 62 4.022 6.185 4.498 425 HD21 LEU 62 3HD2 LEU 62 7.317 5.778 3.950 426 HD22 LEU 62 1HD2 LEU 62 5.987 5.051 4.850 427 HD23 LEU 62 2HD2 LEU 62 7.281 5.885 5.710 428 H THR 63 H THR 63 9.637 10.413 5.661 429 HA THR 63 HA THR 63 10.173 11.738 3.139 430 HB THR 63 HB THR 63 8.198 12.959 3.868 431 HG1 THR 63 1HG THR 63 9.116 14.826 3.391 432 HG21 THR 63 3HG2 THR 63 7.807 13.058 6.070 433 HG22 THR 63 1HG2 THR 63 8.955 14.395 6.105 434 HG23 THR 63 2HG2 THR 63 9.499 12.757 6.465 435 H GLY 64 H GLY 64 12.123 12.822 3.107 436 HA2 GLY 64 1HA GLY 64 13.795 14.017 4.578 437 HA3 GLY 64 2HA GLY 64 13.726 12.572 5.575 438 H GLN 65 H GLN 65 14.399 10.528 4.550 439 HA GLN 65 HA GLN 65 16.657 11.024 2.743 440 HB2 GLN 65 1HB GLN 65 16.101 9.016 4.873 441 HB3 GLN 65 2HB GLN 65 17.130 8.530 3.532 442 HG2 GLN 65 1HG GLN 65 17.692 11.075 4.982 443 HG3 GLN 65 2HG GLN 65 18.172 9.533 5.689 444 HE21 GLN 65 1HE2 GLN 65 19.537 11.951 4.321 445 HE22 GLN 65 2HE2 GLN 65 20.678 11.200 3.263 446 H ASN 66 H ASN 66 14.146 10.999 1.566 447 HA ASN 66 HA ASN 66 14.209 8.455 0.079 448 HB2 ASN 66 1HB ASN 66 12.154 8.997 1.599 449 HB3 ASN 66 2HB ASN 66 11.710 10.100 0.300 450 HD21 ASN 66 1HD2 ASN 66 10.087 8.014 0.988 451 HD22 ASN 66 2HD2 ASN 66 10.079 6.839 -0.279 452 H THR 67 H THR 67 13.597 8.580 -2.166 453 HA THR 67 HA THR 67 14.132 11.235 -3.330 454 HB THR 67 HB THR 67 14.972 10.019 -5.335 455 HG1 THR 67 1HG THR 67 14.692 7.751 -3.627 456 HG21 THR 67 3HG2 THR 67 16.866 8.843 -3.638 457 HG22 THR 67 1HG2 THR 67 16.230 10.228 -2.751 458 HG23 THR 67 2HG2 THR 67 16.928 10.452 -4.356 459 H ALA 68 H ALA 68 12.456 8.159 -3.988 460 HA ALA 68 HA ALA 68 10.602 9.577 -5.755 461 HB1 ALA 68 3HB ALA 68 10.762 6.608 -5.283 462 HB2 ALA 68 1HB ALA 68 9.960 7.453 -6.608 463 HB3 ALA 68 2HB ALA 68 11.720 7.457 -6.497 464 H THR 69 H THR 69 9.226 10.629 -4.362 465 HA THR 69 HA THR 69 7.725 8.954 -2.460 466 HB THR 69 HB THR 69 7.115 11.038 -1.303 467 HG1 THR 69 1HG THR 69 7.390 12.860 -2.327 468 HG21 THR 69 3HG2 THR 69 9.620 9.790 -1.327 469 HG22 THR 69 1HG2 THR 69 8.946 10.803 -0.050 470 HG23 THR 69 2HG2 THR 69 9.958 11.521 -1.304 471 H ASN 70 H ASN 70 5.942 8.232 -3.460 472 HA ASN 70 HA ASN 70 4.605 9.110 -5.620 473 HB2 ASN 70 1HB ASN 70 4.070 7.140 -4.017 474 HB3 ASN 70 2HB ASN 70 3.004 8.288 -3.212 475 HD21 ASN 70 1HD2 ASN 70 1.017 8.500 -3.962 476 HD22 ASN 70 2HD2 ASN 70 0.450 7.928 -5.491 477 HA PRO 71 HA PRO 71 3.293 13.232 -4.602 478 HB2 PRO 71 1HB PRO 71 1.889 13.668 -6.885 479 HB3 PRO 71 2HB PRO 71 3.654 13.721 -6.818 480 HG2 PRO 71 1HG PRO 71 1.859 11.508 -7.735 481 HG3 PRO 71 2HG PRO 71 3.359 12.107 -8.466 482 HD2 PRO 71 1HD PRO 71 3.273 9.869 -6.945 483 HD3 PRO 71 2HD PRO 71 4.693 10.934 -6.997 484 HA PRO 72 HA PRO 72 -0.703 12.320 -2.872 485 HB2 PRO 72 1HB PRO 72 -1.175 14.796 -1.863 486 HB3 PRO 72 2HB PRO 72 -0.064 13.646 -1.108 487 HG2 PRO 72 1HG PRO 72 0.541 15.966 -2.901 488 HG3 PRO 72 2HG PRO 72 1.370 15.450 -1.421 489 HD2 PRO 72 1HD PRO 72 2.321 14.891 -3.894 490 HD3 PRO 72 2HD PRO 72 2.559 13.803 -2.511 491 H GLY 73 H GLY 73 -2.587 12.229 -3.916 492 HA2 GLY 73 1HA GLY 73 -3.109 13.858 -6.209 493 HA3 GLY 73 2HA GLY 73 -4.196 12.667 -5.509 494 H LEU 74 H LEU 74 -5.111 13.404 -3.294 495 HA LEU 74 HA LEU 74 -6.722 15.647 -3.735 496 HB2 LEU 74 1HB LEU 74 -6.093 13.965 -1.351 497 HB3 LEU 74 2HB LEU 74 -7.036 15.440 -1.148 498 HG LEU 74 HG LEU 74 -7.831 13.242 -3.045 499 HD11 LEU 74 1HD1 LEU 74 -7.751 12.259 -0.853 500 HD12 LEU 74 2HD1 LEU 74 -9.434 12.556 -1.288 501 HD13 LEU 74 3HD1 LEU 74 -8.611 13.635 -0.161 502 HD21 LEU 74 3HD2 LEU 74 -9.100 15.018 -3.681 503 HD22 LEU 74 1HD2 LEU 74 -9.002 15.797 -2.102 504 HD23 LEU 74 2HD2 LEU 74 -10.100 14.439 -2.348 505 H THR 75 H THR 75 -6.049 17.680 -3.862 506 HA THR 75 HA THR 75 -3.641 18.706 -2.947 507 HB THR 75 HB THR 75 -6.229 20.211 -3.378 508 HG1 THR 75 1HG THR 75 -4.069 20.092 -5.192 509 HG21 THR 75 3HG2 THR 75 -3.494 21.393 -3.657 510 HG22 THR 75 1HG2 THR 75 -4.257 21.306 -2.070 511 HG23 THR 75 2HG2 THR 75 -5.037 22.199 -3.376 512 H GLY 76 H GLY 76 -6.850 18.906 -1.411 513 HA2 GLY 76 1HA GLY 76 -5.613 20.005 1.003 514 HA3 GLY 76 2HA GLY 76 -7.336 19.911 0.674 515 H VAL 77 H VAL 77 -4.628 17.598 0.903 516 HA VAL 77 HA VAL 77 -5.817 15.308 1.564 517 HB VAL 77 HB VAL 77 -3.959 14.757 3.084 518 HG11 VAL 77 1HG1 VAL 77 -2.555 14.505 1.354 519 HG12 VAL 77 2HG1 VAL 77 -3.830 15.275 0.407 520 HG13 VAL 77 3HG1 VAL 77 -2.490 16.237 1.031 521 HG21 VAL 77 3HG2 VAL 77 -3.705 17.699 3.145 522 HG22 VAL 77 1HG2 VAL 77 -3.360 16.502 4.393 523 HG23 VAL 77 2HG2 VAL 77 -2.199 16.783 3.096 524 H GLY 78 H GLY 78 -7.317 14.644 2.949 525 HA2 GLY 78 1HA GLY 78 -7.998 16.344 5.226 526 HA3 GLY 78 2HA GLY 78 -8.969 15.026 4.585 Start of MODEL 14 1 H1 GLY 1 H GLY 1 8.586 -34.341 14.508 2 HA2 GLY 1 1HA GLY 1 6.268 -33.457 15.832 3 HA3 GLY 1 2HA GLY 1 6.963 -32.097 14.963 4 H SER 2 H SER 2 6.956 -32.084 12.711 5 HA SER 2 HA SER 2 5.694 -34.321 11.327 6 HB2 SER 2 1HB SER 2 3.837 -32.828 12.009 7 HB3 SER 2 2HB SER 2 4.611 -31.499 11.147 8 HG SER 2 HG SER 2 4.240 -32.524 9.232 9 H SER 3 H SER 3 6.812 -34.742 9.551 10 HA SER 3 HA SER 3 9.003 -33.347 8.651 11 HB2 SER 3 1HB SER 3 8.904 -34.691 6.643 12 HB3 SER 3 2HB SER 3 8.384 -35.685 8.004 13 HG SER 3 HG SER 3 6.176 -34.826 7.279 14 H GLY 4 H GLY 4 9.244 -31.422 7.740 15 HA2 GLY 4 1HA GLY 4 8.227 -30.391 5.490 16 HA3 GLY 4 2HA GLY 4 6.935 -30.048 6.631 17 H SER 5 H SER 5 7.056 -27.881 6.821 18 HA SER 5 HA SER 5 7.832 -25.822 7.401 19 HB2 SER 5 1HB SER 5 9.845 -27.419 9.004 20 HB3 SER 5 2HB SER 5 9.464 -25.713 9.233 21 HG SER 5 HG SER 5 7.340 -27.510 9.297 22 H SER 6 H SER 6 8.695 -26.681 4.947 23 HA SER 6 HA SER 6 11.259 -25.296 4.740 24 HB2 SER 6 1HB SER 6 12.331 -26.978 3.474 25 HB3 SER 6 2HB SER 6 11.588 -27.844 4.818 26 HG SER 6 HG SER 6 9.866 -28.384 3.412 27 H GLY 7 H GLY 7 11.793 -24.830 2.396 28 HA2 GLY 7 1HA GLY 7 11.065 -24.439 0.166 29 HA3 GLY 7 2HA GLY 7 9.404 -24.649 0.702 30 H THR 8 H THR 8 11.475 -22.430 -0.440 31 HA THR 8 HA THR 8 10.288 -20.226 1.113 32 HB THR 8 HB THR 8 12.167 -18.833 0.290 33 HG1 THR 8 1HG THR 8 13.153 -19.649 -1.402 34 HG21 THR 8 3HG2 THR 8 13.926 -19.879 1.675 35 HG22 THR 8 1HG2 THR 8 12.971 -21.360 1.737 36 HG23 THR 8 2HG2 THR 8 12.353 -19.881 2.473 37 H GLU 9 H GLU 9 8.367 -20.189 -0.132 38 HA GLU 9 HA GLU 9 8.441 -19.853 -2.975 39 HB2 GLU 9 1HB GLU 9 6.278 -19.648 -0.897 40 HB3 GLU 9 2HB GLU 9 5.979 -19.188 -2.568 41 HG2 GLU 9 1HG GLU 9 5.278 -21.492 -2.040 42 HG3 GLU 9 2HG GLU 9 6.475 -21.402 -3.332 43 H GLU 10 H GLU 10 7.282 -17.927 -3.982 44 HA GLU 10 HA GLU 10 8.353 -15.471 -2.765 45 HB2 GLU 10 1HB GLU 10 7.907 -16.285 -5.626 46 HB3 GLU 10 2HB GLU 10 8.083 -14.594 -5.177 47 HG2 GLU 10 1HG GLU 10 10.278 -15.106 -4.194 48 HG3 GLU 10 2HG GLU 10 10.102 -16.779 -4.721 49 H HIS 11 H HIS 11 6.716 -14.643 -1.581 50 HA HIS 11 HA HIS 11 4.792 -13.505 -1.140 51 HB2 HIS 11 1HB HIS 11 5.342 -12.592 -3.521 52 HB3 HIS 11 2HB HIS 11 4.005 -13.618 -4.034 53 HD2 HIS 11 2HD HIS 11 3.733 -11.615 -0.690 54 HE1 HIS 11 1HE HIS 11 1.089 -9.894 -3.527 55 HE2 HIS 11 2HE HIS 11 1.907 -9.840 -1.146 56 H VAL 12 H VAL 12 4.708 -16.130 -0.626 57 HA VAL 12 HA VAL 12 2.441 -17.389 -1.896 58 HB VAL 12 HB VAL 12 4.304 -18.774 -1.152 59 HG11 VAL 12 1HG1 VAL 12 3.683 -18.588 1.707 60 HG12 VAL 12 2HG1 VAL 12 5.242 -18.694 0.886 61 HG13 VAL 12 3HG1 VAL 12 4.420 -17.139 1.023 62 HG21 VAL 12 3HG2 VAL 12 2.965 -20.379 0.308 63 HG22 VAL 12 1HG2 VAL 12 1.664 -19.192 0.219 64 HG23 VAL 12 2HG2 VAL 12 2.270 -19.948 -1.254 65 H GLY 13 H GLY 13 3.088 -15.565 1.010 66 HA2 GLY 13 1HA GLY 13 1.077 -14.361 1.856 67 HA3 GLY 13 2HA GLY 13 0.258 -15.915 1.791 68 H SER 14 H SER 14 3.508 -15.123 2.973 69 HA SER 14 HA SER 14 2.996 -16.608 5.398 70 HB2 SER 14 1HB SER 14 5.192 -16.624 4.103 71 HB3 SER 14 2HB SER 14 5.477 -15.011 4.756 72 HG SER 14 HG SER 14 6.089 -15.921 6.535 73 H GLY 15 H GLY 15 1.488 -15.433 6.561 74 HA2 GLY 15 1HA GLY 15 0.616 -13.633 7.746 75 HA3 GLY 15 2HA GLY 15 2.191 -13.742 8.516 76 H LEU 16 H LEU 16 1.106 -12.586 5.324 77 HA LEU 16 HA LEU 16 2.487 -10.047 5.901 78 HB2 LEU 16 1HB LEU 16 2.535 -9.933 3.306 79 HB3 LEU 16 2HB LEU 16 3.723 -10.906 4.170 80 HG LEU 16 HG LEU 16 2.534 -12.932 3.614 81 HD11 LEU 16 1HD1 LEU 16 0.307 -12.703 3.477 82 HD12 LEU 16 2HD1 LEU 16 0.624 -12.371 1.775 83 HD13 LEU 16 3HD1 LEU 16 0.407 -11.037 2.908 84 HD21 LEU 16 3HD2 LEU 16 2.401 -11.981 0.931 85 HD22 LEU 16 1HD2 LEU 16 3.648 -12.963 1.698 86 HD23 LEU 16 2HD2 LEU 16 3.760 -11.204 1.745 87 H GLU 17 H GLU 17 -0.487 -11.419 5.572 88 HA GLU 17 HA GLU 17 -2.081 -10.010 3.938 89 HB2 GLU 17 1HB GLU 17 -3.860 -10.132 5.632 90 HB3 GLU 17 2HB GLU 17 -2.956 -11.636 5.525 91 HG2 GLU 17 1HG GLU 17 -1.577 -10.665 7.485 92 HG3 GLU 17 2HG GLU 17 -2.954 -9.583 7.693 93 H CYS 18 H CYS 18 -2.966 -7.996 3.749 94 HA CYS 18 HA CYS 18 -1.529 -5.782 4.618 95 HB2 CYS 18 1HB CYS 18 -2.865 -5.367 2.763 96 HB3 CYS 18 2HB CYS 18 -4.272 -6.153 3.472 97 HA PRO 19 HA PRO 19 -2.820 -5.449 8.847 98 HB2 PRO 19 1HB PRO 19 -1.677 -3.035 9.336 99 HB3 PRO 19 2HB PRO 19 -0.748 -4.536 9.236 100 HG2 PRO 19 1HG PRO 19 -1.148 -2.415 7.162 101 HG3 PRO 19 2HG PRO 19 0.335 -3.279 7.606 102 HD2 PRO 19 1HD PRO 19 -1.137 -3.934 5.430 103 HD3 PRO 19 2HD PRO 19 -0.228 -5.139 6.366 104 H VAL 20 H VAL 20 -3.356 -2.918 6.454 105 HA VAL 20 HA VAL 20 -4.999 -1.192 7.851 106 HB VAL 20 HB VAL 20 -5.548 -1.952 4.991 107 HG11 VAL 20 1HG1 VAL 20 -6.147 0.333 6.764 108 HG12 VAL 20 2HG1 VAL 20 -5.705 0.724 5.101 109 HG13 VAL 20 3HG1 VAL 20 -7.075 -0.340 5.424 110 HG21 VAL 20 3HG2 VAL 20 -3.733 0.220 5.110 111 HG22 VAL 20 1HG2 VAL 20 -3.060 -1.095 6.073 112 HG23 VAL 20 2HG2 VAL 20 -3.492 -1.369 4.385 113 H CYS 21 H CYS 21 -5.966 -4.064 5.982 114 HA CYS 21 HA CYS 21 -8.589 -3.959 7.312 115 HB2 CYS 21 1HB CYS 21 -9.263 -5.558 5.448 116 HB3 CYS 21 2HB CYS 21 -8.911 -3.902 4.966 117 H LYS 22 H LYS 22 -5.683 -5.760 6.997 118 HA LYS 22 HA LYS 22 -4.912 -7.627 8.044 119 HB2 LYS 22 1HB LYS 22 -7.469 -7.511 9.652 120 HB3 LYS 22 2HB LYS 22 -6.002 -8.383 10.074 121 HG2 LYS 22 1HG LYS 22 -5.807 -5.453 9.641 122 HG3 LYS 22 2HG LYS 22 -6.574 -6.033 11.121 123 HD2 LYS 22 1HD LYS 22 -4.596 -7.303 11.692 124 HD3 LYS 22 2HD LYS 22 -3.834 -6.859 10.162 125 HE2 LYS 22 1HE LYS 22 -3.425 -4.703 10.837 126 HE3 LYS 22 2HE LYS 22 -4.768 -4.692 11.980 127 HZ1 LYS 22 3HZ LYS 22 -3.370 -6.396 13.253 128 HZ2 LYS 22 1HZ LYS 22 -2.898 -4.772 13.322 129 HZ3 LYS 22 2HZ LYS 22 -2.075 -5.850 12.312 130 H GLU 23 H GLU 23 -6.300 -7.920 5.626 131 HA GLU 23 HA GLU 23 -7.851 -10.386 5.990 132 HB2 GLU 23 1HB GLU 23 -7.605 -8.512 3.634 133 HB3 GLU 23 2HB GLU 23 -8.485 -10.034 3.586 134 HG2 GLU 23 1HG GLU 23 -9.179 -8.104 5.726 135 HG3 GLU 23 2HG GLU 23 -9.679 -7.730 4.078 136 H ASP 24 H ASP 24 -6.019 -9.408 3.144 137 HA ASP 24 HA ASP 24 -3.752 -10.979 3.463 138 HB2 ASP 24 1HB ASP 24 -4.465 -12.865 1.835 139 HB3 ASP 24 2HB ASP 24 -4.947 -12.986 3.525 140 H TYR 25 H TYR 25 -2.718 -11.526 1.277 141 HA TYR 25 HA TYR 25 -3.259 -9.278 -0.527 142 HB2 TYR 25 1HB TYR 25 -0.815 -10.975 -0.046 143 HB3 TYR 25 2HB TYR 25 -0.952 -9.912 -1.442 144 HD1 TYR 25 1HD TYR 25 -2.309 -7.572 -0.249 145 HD2 TYR 25 2HD TYR 25 0.848 -9.991 1.262 146 HE1 TYR 25 1HE TYR 25 -1.518 -5.680 1.110 147 HE2 TYR 25 2HE TYR 25 1.647 -8.107 2.626 148 HH TYR 25 HH TYR 25 0.420 -5.918 3.641 149 H ALA 26 H ALA 26 -2.231 -10.011 -2.863 150 HA ALA 26 HA ALA 26 -2.979 -12.626 -3.722 151 HB1 ALA 26 3HB ALA 26 -4.966 -12.265 -4.829 152 HB2 ALA 26 1HB ALA 26 -5.178 -11.264 -3.392 153 HB3 ALA 26 2HB ALA 26 -4.720 -10.521 -4.924 154 H LEU 27 H LEU 27 -1.836 -13.117 -5.489 155 HA LEU 27 HA LEU 27 0.169 -11.703 -6.564 156 HB2 LEU 27 1HB LEU 27 -1.682 -13.438 -8.193 157 HB3 LEU 27 2HB LEU 27 -0.015 -13.026 -8.594 158 HG LEU 27 HG LEU 27 -0.746 -14.574 -6.120 159 HD11 LEU 27 1HD1 LEU 27 -0.198 -16.604 -7.347 160 HD12 LEU 27 2HD1 LEU 27 0.002 -15.669 -8.828 161 HD13 LEU 27 3HD1 LEU 27 -1.585 -15.788 -8.069 162 HD21 LEU 27 3HD2 LEU 27 1.514 -13.377 -6.476 163 HD22 LEU 27 1HD2 LEU 27 1.830 -14.659 -7.645 164 HD23 LEU 27 2HD2 LEU 27 1.518 -15.063 -5.956 165 H GLY 28 H GLY 28 -3.172 -11.604 -7.794 166 HA2 GLY 28 1HA GLY 28 -2.564 -9.569 -9.728 167 HA3 GLY 28 2HA GLY 28 -4.163 -10.168 -9.310 168 H GLU 29 H GLU 29 -3.623 -9.598 -6.417 169 HA GLU 29 HA GLU 29 -4.789 -7.032 -6.325 170 HB2 GLU 29 1HB GLU 29 -3.677 -8.927 -4.303 171 HB3 GLU 29 2HB GLU 29 -3.994 -7.268 -3.813 172 HG2 GLU 29 1HG GLU 29 -6.304 -7.469 -4.332 173 HG3 GLU 29 2HG GLU 29 -6.052 -9.029 -5.115 174 H SER 30 H SER 30 -3.856 -5.135 -6.645 175 HA SER 30 HA SER 30 -1.057 -4.796 -6.874 176 HB2 SER 30 1HB SER 30 -2.786 -3.404 -8.044 177 HB3 SER 30 2HB SER 30 -3.130 -2.623 -6.501 178 HG SER 30 HG SER 30 -1.059 -2.226 -8.234 179 H VAL 31 H VAL 31 0.180 -5.126 -5.119 180 HA VAL 31 HA VAL 31 -0.611 -3.917 -2.567 181 HB VAL 31 HB VAL 31 1.576 -5.264 -1.871 182 HG11 VAL 31 1HG1 VAL 31 0.122 -7.158 -1.288 183 HG12 VAL 31 2HG1 VAL 31 -0.638 -5.606 -0.932 184 HG13 VAL 31 3HG1 VAL 31 -1.123 -6.519 -2.361 185 HG21 VAL 31 3HG2 VAL 31 2.030 -5.923 -4.229 186 HG22 VAL 31 1HG2 VAL 31 1.870 -7.289 -3.126 187 HG23 VAL 31 2HG2 VAL 31 0.541 -6.868 -4.206 188 H ARG 32 H ARG 32 0.827 -2.614 -1.374 189 HA ARG 32 HA ARG 32 3.021 -1.437 -2.950 190 HB2 ARG 32 1HB ARG 32 1.590 0.348 -2.956 191 HB3 ARG 32 2HB ARG 32 0.792 -0.149 -1.469 192 HG2 ARG 32 1HG ARG 32 2.252 0.971 -0.145 193 HG3 ARG 32 2HG ARG 32 3.605 0.744 -1.255 194 HD2 ARG 32 1HD ARG 32 2.586 2.404 -2.776 195 HD3 ARG 32 2HD ARG 32 1.305 2.666 -1.593 196 HE ARG 32 HE ARG 32 2.770 3.893 -0.308 197 HH11 ARG 32 1HH1 ARG 32 4.503 2.256 -2.846 198 HH12 ARG 32 2HH1 ARG 32 5.978 3.123 -2.576 199 HH21 ARG 32 1HH2 ARG 32 4.708 5.040 0.057 200 HH22 ARG 32 2HH2 ARG 32 6.094 4.706 -0.924 201 H GLN 33 H GLN 33 4.947 -1.195 -1.952 202 HA GLN 33 HA GLN 33 5.134 -2.165 0.811 203 HB2 GLN 33 1HB GLN 33 6.452 -3.298 -1.012 204 HB3 GLN 33 2HB GLN 33 7.377 -1.811 -1.180 205 HG2 GLN 33 1HG GLN 33 8.536 -2.150 0.728 206 HG3 GLN 33 2HG GLN 33 7.187 -2.945 1.538 207 HE21 GLN 33 1HE2 GLN 33 8.700 -4.515 2.273 208 HE22 GLN 33 2HE2 GLN 33 9.217 -5.790 1.230 209 H LEU 34 H LEU 34 6.104 -0.988 2.415 210 HA LEU 34 HA LEU 34 6.514 1.853 1.824 211 HB2 LEU 34 1HB LEU 34 5.849 0.320 4.308 212 HB3 LEU 34 2HB LEU 34 6.513 1.949 4.413 213 HG LEU 34 HG LEU 34 3.871 1.085 3.264 214 HD11 LEU 34 1HD1 LEU 34 2.917 2.395 4.941 215 HD12 LEU 34 2HD1 LEU 34 4.423 3.254 5.260 216 HD13 LEU 34 3HD1 LEU 34 4.248 1.569 5.750 217 HD21 LEU 34 3HD2 LEU 34 5.531 3.427 2.604 218 HD22 LEU 34 1HD2 LEU 34 3.846 3.769 2.996 219 HD23 LEU 34 2HD2 LEU 34 4.238 2.653 1.687 220 HA PRO 35 HA PRO 35 10.840 1.793 2.547 221 HB2 PRO 35 1HB PRO 35 11.235 4.082 3.953 222 HB3 PRO 35 2HB PRO 35 10.832 4.068 2.232 223 HG2 PRO 35 1HG PRO 35 9.046 4.521 4.592 224 HG3 PRO 35 2HG PRO 35 9.096 5.386 3.045 225 HD2 PRO 35 1HD PRO 35 7.253 3.478 3.589 226 HD3 PRO 35 2HD PRO 35 7.882 3.759 1.953 227 H CYS 36 H CYS 36 8.736 1.067 4.920 228 HA CYS 36 HA CYS 36 10.828 0.858 6.985 229 HB2 CYS 36 1HB CYS 36 8.845 0.604 8.569 230 HB3 CYS 36 2HB CYS 36 9.094 2.202 7.872 231 H ASN 37 H ASN 37 9.745 -0.935 4.648 232 HA ASN 37 HA ASN 37 9.815 -3.186 4.264 233 HB2 ASN 37 1HB ASN 37 10.080 -3.880 7.150 234 HB3 ASN 37 2HB ASN 37 10.884 -4.579 5.748 235 HD21 ASN 37 1HD2 ASN 37 11.266 -2.651 8.409 236 HD22 ASN 37 2HD2 ASN 37 12.732 -1.852 7.964 237 H HIS 38 H HIS 38 7.411 -1.677 4.945 238 HA HIS 38 HA HIS 38 5.732 -3.914 5.872 239 HB2 HIS 38 1HB HIS 38 5.472 -0.966 6.454 240 HB3 HIS 38 2HB HIS 38 4.130 -2.088 6.662 241 HD2 HIS 38 2HD HIS 38 5.593 -4.501 8.231 242 HE1 HIS 38 1HE HIS 38 6.906 -1.497 10.924 243 HE2 HIS 38 2HE HIS 38 6.629 -3.971 10.541 244 H LEU 39 H LEU 39 4.262 -4.589 4.457 245 HA LEU 39 HA LEU 39 3.794 -2.984 2.056 246 HB2 LEU 39 1HB LEU 39 3.506 -5.879 2.733 247 HB3 LEU 39 2HB LEU 39 2.605 -5.204 1.377 248 HG LEU 39 HG LEU 39 5.549 -4.764 1.486 249 HD11 LEU 39 1HD1 LEU 39 4.503 -7.330 1.734 250 HD12 LEU 39 2HD1 LEU 39 6.135 -6.890 1.235 251 HD13 LEU 39 3HD1 LEU 39 4.884 -7.157 0.021 252 HD21 LEU 39 3HD2 LEU 39 4.435 -3.683 -0.290 253 HD22 LEU 39 1HD2 LEU 39 3.463 -5.110 -0.652 254 HD23 LEU 39 2HD2 LEU 39 5.192 -5.111 -0.998 255 H PHE 40 H PHE 40 1.632 -2.791 1.187 256 HA PHE 40 HA PHE 40 -0.624 -3.346 2.887 257 HB2 PHE 40 1HB PHE 40 0.017 -0.453 2.290 258 HB3 PHE 40 2HB PHE 40 -1.328 -1.068 3.245 259 HD1 PHE 40 2HD PHE 40 2.384 -0.939 3.153 260 HD2 PHE 40 1HD PHE 40 -1.121 -1.294 5.543 261 HE1 PHE 40 2HE PHE 40 3.757 -0.768 5.187 262 HE2 PHE 40 1HE PHE 40 0.247 -1.122 7.581 263 HZ PHE 40 HZ PHE 40 2.690 -0.861 7.405 264 H HIS 41 H HIS 41 -2.577 -3.256 1.800 265 HA HIS 41 HA HIS 41 -2.602 -3.707 -0.923 266 HB2 HIS 41 1HB HIS 41 -4.759 -2.793 0.968 267 HB3 HIS 41 2HB HIS 41 -5.091 -3.077 -0.738 268 HD2 HIS 41 2HD HIS 41 -3.595 -5.899 -1.193 269 HE1 HIS 41 1HE HIS 41 -5.832 -7.238 2.155 270 HE2 HIS 41 2HE HIS 41 -4.415 -7.926 0.189 271 H ASP 42 H ASP 42 -2.719 -2.484 -2.722 272 HA ASP 42 HA ASP 42 -1.962 0.219 -2.650 273 HB2 ASP 42 1HB ASP 42 -1.519 -1.205 -4.585 274 HB3 ASP 42 2HB ASP 42 -3.247 -1.353 -4.893 275 H SER 43 H SER 43 -4.917 -1.148 -1.948 276 HA SER 43 HA SER 43 -6.379 1.298 -2.692 277 HB2 SER 43 1HB SER 43 -7.390 -0.635 -3.707 278 HB3 SER 43 2HB SER 43 -7.373 -1.513 -2.177 279 HG SER 43 HG SER 43 -9.224 -0.640 -1.756 280 H CYS 44 H CYS 44 -4.914 -0.192 -0.128 281 HA CYS 44 HA CYS 44 -6.803 0.925 1.832 282 HB2 CYS 44 1HB CYS 44 -4.660 -1.186 2.126 283 HB3 CYS 44 2HB CYS 44 -5.556 -0.508 3.481 284 H ILE 45 H ILE 45 -3.463 0.933 0.760 285 HA ILE 45 HA ILE 45 -2.637 2.759 2.854 286 HB ILE 45 HB ILE 45 -1.218 0.904 1.622 287 HG12 ILE 45 1HG1 ILE 45 0.802 2.062 2.311 288 HG13 ILE 45 2HG1 ILE 45 -0.034 3.611 2.276 289 HG21 ILE 45 1HG2 ILE 45 0.196 1.849 -0.139 290 HG22 ILE 45 2HG2 ILE 45 -1.502 1.828 -0.612 291 HG23 ILE 45 3HG2 ILE 45 -0.750 3.337 -0.097 292 HD11 ILE 45 3HD1 ILE 45 -1.110 3.229 4.245 293 HD12 ILE 45 1HD1 ILE 45 -1.103 1.478 4.040 294 HD13 ILE 45 2HD1 ILE 45 0.373 2.315 4.522 295 H VAL 46 H VAL 46 -3.098 2.843 -0.665 296 HA VAL 46 HA VAL 46 -2.247 5.320 -1.346 297 HB VAL 46 HB VAL 46 -4.527 3.663 -2.272 298 HG11 VAL 46 1HG1 VAL 46 -4.983 5.550 -3.986 299 HG12 VAL 46 2HG1 VAL 46 -5.732 5.641 -2.391 300 HG13 VAL 46 3HG1 VAL 46 -4.302 6.609 -2.751 301 HG21 VAL 46 3HG2 VAL 46 -2.685 5.025 -4.131 302 HG22 VAL 46 1HG2 VAL 46 -1.950 3.877 -3.013 303 HG23 VAL 46 2HG2 VAL 46 -3.234 3.350 -4.100 304 HA PRO 47 HA PRO 47 -6.352 7.395 0.145 305 HB2 PRO 47 1HB PRO 47 -8.008 5.899 1.691 306 HB3 PRO 47 2HB PRO 47 -8.122 5.946 -0.072 307 HG2 PRO 47 1HG PRO 47 -6.831 3.897 1.688 308 HG3 PRO 47 2HG PRO 47 -7.849 3.660 0.255 309 HD2 PRO 47 1HD PRO 47 -5.149 3.477 0.170 310 HD3 PRO 47 2HD PRO 47 -6.109 4.064 -1.202 311 H TRP 48 H TRP 48 -4.334 5.382 2.027 312 HA TRP 48 HA TRP 48 -4.964 6.665 4.551 313 HB2 TRP 48 1HB TRP 48 -4.400 4.343 4.689 314 HB3 TRP 48 2HB TRP 48 -2.926 4.583 3.756 315 HD1 TRP 48 HD TRP 48 -0.785 5.440 5.043 316 HE1 TRP 48 1HE TRP 48 -0.225 5.698 7.542 317 HE3 TRP 48 3HE TRP 48 -5.490 4.956 6.981 318 HZ2 TRP 48 2HZ TRP 48 -1.597 5.696 10.009 319 HZ3 TRP 48 3HZ TRP 48 -5.781 5.096 9.421 320 HH2 TRP 48 HH TRP 48 -3.873 5.458 10.901 321 H LEU 49 H LEU 49 -2.015 6.325 2.566 322 HA LEU 49 HA LEU 49 -0.449 8.174 3.917 323 HB2 LEU 49 1HB LEU 49 -0.346 7.779 0.941 324 HB3 LEU 49 2HB LEU 49 0.976 8.189 2.032 325 HG LEU 49 HG LEU 49 -0.438 5.525 1.909 326 HD11 LEU 49 1HD1 LEU 49 1.945 6.629 0.562 327 HD12 LEU 49 2HD1 LEU 49 0.842 5.349 0.058 328 HD13 LEU 49 3HD1 LEU 49 2.105 5.008 1.240 329 HD21 LEU 49 3HD2 LEU 49 2.145 5.978 3.313 330 HD22 LEU 49 1HD2 LEU 49 0.878 4.793 3.629 331 HD23 LEU 49 2HD2 LEU 49 0.653 6.474 4.114 332 H GLU 50 H GLU 50 -2.903 8.668 1.461 333 HA GLU 50 HA GLU 50 -2.288 11.411 0.979 334 HB2 GLU 50 1HB GLU 50 -4.754 9.761 0.422 335 HB3 GLU 50 2HB GLU 50 -4.583 11.440 -0.068 336 HG2 GLU 50 1HG GLU 50 -2.643 9.302 -0.891 337 HG3 GLU 50 2HG GLU 50 -4.086 9.699 -1.821 338 H GLN 51 H GLN 51 -3.286 10.021 3.721 339 HA GLN 51 HA GLN 51 -4.821 12.397 4.538 340 HB2 GLN 51 1HB GLN 51 -5.383 9.504 5.009 341 HB3 GLN 51 2HB GLN 51 -5.807 10.654 6.270 342 HG2 GLN 51 1HG GLN 51 -6.928 11.920 4.243 343 HG3 GLN 51 2HG GLN 51 -6.955 10.295 3.560 344 HE21 GLN 51 1HE2 GLN 51 -9.298 10.686 3.670 345 HE22 GLN 51 2HE2 GLN 51 -10.125 10.301 5.137 346 H HIS 52 H HIS 52 -2.560 9.861 5.448 347 HA HIS 52 HA HIS 52 -1.823 11.435 7.827 348 HB2 HIS 52 1HB HIS 52 -1.200 8.517 7.363 349 HB3 HIS 52 2HB HIS 52 -1.063 9.421 8.868 350 HD2 HIS 52 2HD HIS 52 -3.888 7.892 6.604 351 HE1 HIS 52 1HE HIS 52 -5.474 8.702 10.454 352 HE2 HIS 52 2HE HIS 52 -5.882 7.601 8.226 353 H ASP 53 H ASP 53 -0.609 9.715 5.009 354 HA ASP 53 HA ASP 53 1.310 9.985 3.804 355 HB2 ASP 53 1HB ASP 53 2.141 12.164 5.717 356 HB3 ASP 53 2HB ASP 53 2.621 11.949 4.036 357 H SER 54 H SER 54 1.054 8.291 6.208 358 HA SER 54 HA SER 54 3.871 7.651 6.485 359 HB2 SER 54 1HB SER 54 2.184 8.103 8.956 360 HB3 SER 54 2HB SER 54 3.891 7.665 8.902 361 HG SER 54 HG SER 54 4.017 9.753 7.607 362 H CYS 55 H CYS 55 4.051 5.630 8.001 363 HA CYS 55 HA CYS 55 2.418 3.606 6.828 364 HB2 CYS 55 1HB CYS 55 4.764 3.183 7.380 365 HB3 CYS 55 2HB CYS 55 4.424 3.444 9.088 366 HA PRO 56 HA PRO 56 -0.885 3.788 9.785 367 HB2 PRO 56 1HB PRO 56 -2.191 1.569 8.925 368 HB3 PRO 56 2HB PRO 56 -2.246 3.111 8.062 369 HG2 PRO 56 1HG PRO 56 -0.569 0.692 7.514 370 HG3 PRO 56 2HG PRO 56 -1.445 1.729 6.372 371 HD2 PRO 56 1HD PRO 56 1.222 1.948 6.789 372 HD3 PRO 56 2HD PRO 56 0.201 3.342 6.380 373 H VAL 57 H VAL 57 1.700 1.774 9.822 374 HA VAL 57 HA VAL 57 0.640 0.180 12.065 375 HB VAL 57 HB VAL 57 2.899 -0.485 10.172 376 HG11 VAL 57 1HG1 VAL 57 3.212 -1.151 12.608 377 HG12 VAL 57 2HG1 VAL 57 1.848 -2.245 12.370 378 HG13 VAL 57 3HG1 VAL 57 3.316 -2.440 11.410 379 HG21 VAL 57 3HG2 VAL 57 0.213 -0.823 9.800 380 HG22 VAL 57 1HG2 VAL 57 1.474 -1.794 9.040 381 HG23 VAL 57 2HG2 VAL 57 0.683 -2.368 10.508 382 H CYS 58 H CYS 58 3.712 1.529 10.846 383 HA CYS 58 HA CYS 58 4.491 2.034 13.641 384 HB2 CYS 58 1HB CYS 58 6.816 1.987 12.864 385 HB3 CYS 58 2HB CYS 58 5.986 0.487 12.460 386 H ARG 59 H ARG 59 3.533 3.510 10.772 387 HA ARG 59 HA ARG 59 3.460 5.663 10.040 388 HB2 ARG 59 1HB ARG 59 3.877 6.173 12.989 389 HB3 ARG 59 2HB ARG 59 3.475 7.426 11.822 390 HG2 ARG 59 1HG ARG 59 1.417 6.918 12.706 391 HG3 ARG 59 2HG ARG 59 1.452 5.896 11.268 392 HD2 ARG 59 1HD ARG 59 0.756 4.369 12.819 393 HD3 ARG 59 2HD ARG 59 2.502 4.158 12.946 394 HE ARG 59 HE ARG 59 1.359 6.096 14.764 395 HH11 ARG 59 1HH1 ARG 59 2.312 2.786 14.256 396 HH12 ARG 59 2HH1 ARG 59 2.458 2.432 15.946 397 HH21 ARG 59 1HH2 ARG 59 1.548 5.642 16.991 398 HH22 ARG 59 2HH2 ARG 59 2.022 4.057 17.501 399 H LYS 60 H LYS 60 5.906 4.416 9.677 400 HA LYS 60 HA LYS 60 8.121 5.890 10.610 401 HB2 LYS 60 1HB LYS 60 7.899 3.564 9.326 402 HB3 LYS 60 2HB LYS 60 8.240 4.584 7.935 403 HG2 LYS 60 1HG LYS 60 10.311 3.728 8.662 404 HG3 LYS 60 2HG LYS 60 10.264 5.414 9.181 405 HD2 LYS 60 1HD LYS 60 9.238 4.297 11.369 406 HD3 LYS 60 2HD LYS 60 10.177 2.920 10.789 407 HE2 LYS 60 1HE LYS 60 11.499 4.247 12.328 408 HE3 LYS 60 2HE LYS 60 12.179 4.343 10.704 409 HZ1 LYS 60 3HZ LYS 60 10.443 6.436 10.812 410 HZ2 LYS 60 1HZ LYS 60 12.122 6.532 10.998 411 HZ3 LYS 60 2HZ LYS 60 11.126 6.426 12.360 412 H SER 61 H SER 61 8.403 7.993 10.267 413 HA SER 61 HA SER 61 7.210 9.677 8.532 414 HB2 SER 61 1HB SER 61 9.123 10.048 10.337 415 HB3 SER 61 2HB SER 61 10.145 10.092 8.900 416 HG SER 61 HG SER 61 7.968 11.581 8.472 417 H LEU 62 H LEU 62 6.823 9.188 6.450 418 HA LEU 62 HA LEU 62 8.826 7.994 4.761 419 HB2 LEU 62 1HB LEU 62 6.216 9.192 3.878 420 HB3 LEU 62 2HB LEU 62 7.166 7.944 3.075 421 HG LEU 62 HG LEU 62 5.708 7.586 5.692 422 HD11 LEU 62 1HD1 LEU 62 3.866 7.044 4.574 423 HD12 LEU 62 2HD1 LEU 62 4.764 6.027 3.448 424 HD13 LEU 62 3HD1 LEU 62 4.617 7.758 3.147 425 HD21 LEU 62 3HD2 LEU 62 6.155 5.196 5.288 426 HD22 LEU 62 1HD2 LEU 62 7.634 6.134 5.501 427 HD23 LEU 62 2HD2 LEU 62 7.132 5.634 3.885 428 H THR 63 H THR 63 9.764 10.393 5.792 429 HA THR 63 HA THR 63 10.347 11.812 3.343 430 HB THR 63 HB THR 63 8.422 13.083 3.893 431 HG1 THR 63 1HG THR 63 10.680 14.182 3.706 432 HG21 THR 63 3HG2 THR 63 9.338 12.657 6.667 433 HG22 THR 63 1HG2 THR 63 7.703 12.739 6.013 434 HG23 THR 63 2HG2 THR 63 8.602 14.223 6.330 435 H GLY 64 H GLY 64 12.426 12.388 3.346 436 HA2 GLY 64 1HA GLY 64 13.733 13.265 5.779 437 HA3 GLY 64 2HA GLY 64 14.309 11.728 5.151 438 H GLN 65 H GLN 65 14.777 11.836 2.683 439 HA GLN 65 HA GLN 65 16.225 14.345 2.144 440 HB2 GLN 65 1HB GLN 65 17.045 11.500 1.553 441 HB3 GLN 65 2HB GLN 65 17.848 12.902 0.858 442 HG2 GLN 65 1HG GLN 65 17.596 12.376 3.810 443 HG3 GLN 65 2HG GLN 65 19.000 11.950 2.831 444 HE21 GLN 65 1HE2 GLN 65 20.443 13.501 2.267 445 HE22 GLN 65 2HE2 GLN 65 20.359 15.139 2.811 446 H ASN 66 H ASN 66 14.940 11.442 0.517 447 HA ASN 66 HA ASN 66 14.289 13.134 -1.800 448 HB2 ASN 66 1HB ASN 66 14.183 10.988 -3.072 449 HB3 ASN 66 2HB ASN 66 15.773 11.322 -2.391 450 HD21 ASN 66 1HD2 ASN 66 14.663 8.789 -3.204 451 HD22 ASN 66 2HD2 ASN 66 14.668 7.775 -1.805 452 H THR 67 H THR 67 12.268 13.873 -1.501 453 HA THR 67 HA THR 67 10.209 12.182 -0.358 454 HB THR 67 HB THR 67 9.964 14.985 -1.465 455 HG1 THR 67 1HG THR 67 10.789 15.615 0.373 456 HG21 THR 67 3HG2 THR 67 7.875 15.106 -0.351 457 HG22 THR 67 1HG2 THR 67 8.157 13.588 0.499 458 HG23 THR 67 2HG2 THR 67 7.863 13.583 -1.240 459 H ALA 68 H ALA 68 9.228 10.734 -1.605 460 HA ALA 68 HA ALA 68 8.590 11.482 -4.385 461 HB1 ALA 68 3HB ALA 68 10.024 9.752 -4.764 462 HB2 ALA 68 1HB ALA 68 9.648 8.958 -3.235 463 HB3 ALA 68 2HB ALA 68 8.522 8.843 -4.588 464 H THR 69 H THR 69 6.866 12.193 -2.356 465 HA THR 69 HA THR 69 4.754 10.169 -2.315 466 HB THR 69 HB THR 69 5.003 12.791 -0.832 467 HG1 THR 69 1HG THR 69 4.864 10.260 0.384 468 HG21 THR 69 3HG2 THR 69 2.713 11.043 -1.301 469 HG22 THR 69 1HG2 THR 69 2.768 12.685 -0.663 470 HG23 THR 69 2HG2 THR 69 3.042 11.313 0.410 471 H ASN 70 H ASN 70 2.935 10.324 -3.481 472 HA ASN 70 HA ASN 70 2.725 12.287 -5.532 473 HB2 ASN 70 1HB ASN 70 0.332 11.151 -5.682 474 HB3 ASN 70 2HB ASN 70 1.781 10.311 -6.229 475 HD21 ASN 70 1HD2 ASN 70 -0.949 10.051 -4.402 476 HD22 ASN 70 2HD2 ASN 70 -0.493 8.719 -3.400 477 HA PRO 71 HA PRO 71 0.337 15.437 -3.626 478 HB2 PRO 71 1HB PRO 71 -1.241 16.237 -5.685 479 HB3 PRO 71 2HB PRO 71 0.489 16.591 -5.606 480 HG2 PRO 71 1HG PRO 71 -0.936 14.438 -7.122 481 HG3 PRO 71 2HG PRO 71 0.395 15.485 -7.650 482 HD2 PRO 71 1HD PRO 71 0.784 12.931 -6.838 483 HD3 PRO 71 2HD PRO 71 1.989 14.209 -6.581 484 HA PRO 72 HA PRO 72 -3.444 13.677 -2.186 485 HB2 PRO 72 1HB PRO 72 -4.601 15.913 -1.169 486 HB3 PRO 72 2HB PRO 72 -3.245 15.092 -0.387 487 HG2 PRO 72 1HG PRO 72 -3.236 17.523 -2.134 488 HG3 PRO 72 2HG PRO 72 -2.345 17.223 -0.631 489 HD2 PRO 72 1HD PRO 72 -1.201 16.990 -3.074 490 HD3 PRO 72 2HD PRO 72 -0.720 15.981 -1.695 491 H GLY 73 H GLY 73 -5.819 13.918 -2.393 492 HA2 GLY 73 1HA GLY 73 -6.575 14.291 -5.090 493 HA3 GLY 73 2HA GLY 73 -7.674 14.041 -3.741 494 H LEU 74 H LEU 74 -8.384 15.696 -5.807 495 HA LEU 74 HA LEU 74 -7.841 18.434 -4.986 496 HB2 LEU 74 1HB LEU 74 -9.516 17.331 -7.236 497 HB3 LEU 74 2HB LEU 74 -9.198 19.042 -6.953 498 HG LEU 74 HG LEU 74 -6.718 18.415 -7.226 499 HD11 LEU 74 1HD1 LEU 74 -8.053 15.880 -7.848 500 HD12 LEU 74 2HD1 LEU 74 -6.393 16.200 -7.347 501 HD13 LEU 74 3HD1 LEU 74 -6.858 16.399 -9.036 502 HD21 LEU 74 3HD2 LEU 74 -7.797 19.767 -8.854 503 HD22 LEU 74 1HD2 LEU 74 -8.701 18.393 -9.492 504 HD23 LEU 74 2HD2 LEU 74 -6.955 18.486 -9.728 505 H THR 75 H THR 75 -10.728 16.414 -5.534 506 HA THR 75 HA THR 75 -12.548 18.231 -4.373 507 HB THR 75 HB THR 75 -12.814 15.233 -4.681 508 HG1 THR 75 1HG THR 75 -12.648 16.039 -6.707 509 HG21 THR 75 3HG2 THR 75 -14.961 17.327 -4.327 510 HG22 THR 75 1HG2 THR 75 -14.404 16.234 -3.061 511 HG23 THR 75 2HG2 THR 75 -15.200 15.588 -4.496 512 H GLY 76 H GLY 76 -10.976 15.314 -3.064 513 HA2 GLY 76 1HA GLY 76 -10.242 15.942 -0.631 514 HA3 GLY 76 2HA GLY 76 -11.983 15.998 -0.397 515 H VAL 77 H VAL 77 -9.947 13.753 -2.257 516 HA VAL 77 HA VAL 77 -10.123 11.453 -2.388 517 HB VAL 77 HB VAL 77 -9.308 10.354 -0.359 518 HG11 VAL 77 1HG1 VAL 77 -8.042 12.496 -1.736 519 HG12 VAL 77 2HG1 VAL 77 -7.533 12.540 -0.047 520 HG13 VAL 77 3HG1 VAL 77 -7.309 11.072 -0.999 521 HG21 VAL 77 3HG2 VAL 77 -10.569 11.453 1.344 522 HG22 VAL 77 1HG2 VAL 77 -8.863 11.767 1.661 523 HG23 VAL 77 2HG2 VAL 77 -9.869 13.019 0.933 524 H GLY 78 H GLY 78 -12.700 12.546 -2.233 525 HA2 GLY 78 1HA GLY 78 -14.512 10.742 -2.081 526 HA3 GLY 78 2HA GLY 78 -14.095 10.733 -0.373 Start of MODEL 15 1 H1 GLY 1 H GLY 1 8.614 -24.964 22.874 2 HA2 GLY 1 1HA GLY 1 9.325 -26.470 20.563 3 HA3 GLY 1 2HA GLY 1 7.608 -26.623 20.905 4 H SER 2 H SER 2 10.037 -24.708 19.507 5 HA SER 2 HA SER 2 8.032 -22.718 18.745 6 HB2 SER 2 1HB SER 2 10.753 -22.040 19.886 7 HB3 SER 2 2HB SER 2 9.670 -20.878 19.120 8 HG SER 2 HG SER 2 8.456 -20.861 20.851 9 H SER 3 H SER 3 8.758 -21.374 16.899 10 HA SER 3 HA SER 3 10.805 -22.692 15.253 11 HB2 SER 3 1HB SER 3 8.077 -21.844 14.250 12 HB3 SER 3 2HB SER 3 9.362 -22.573 13.287 13 HG SER 3 HG SER 3 9.184 -24.396 14.790 14 H GLY 4 H GLY 4 11.303 -21.311 13.258 15 HA2 GLY 4 1HA GLY 4 10.748 -18.551 13.225 16 HA3 GLY 4 2HA GLY 4 12.251 -18.812 14.096 17 H SER 5 H SER 5 10.627 -19.535 11.025 18 HA SER 5 HA SER 5 13.180 -19.108 9.658 19 HB2 SER 5 1HB SER 5 11.391 -21.485 9.097 20 HB3 SER 5 2HB SER 5 12.901 -21.094 8.275 21 HG SER 5 HG SER 5 13.788 -22.261 9.773 22 H SER 6 H SER 6 12.840 -17.530 8.254 23 HA SER 6 HA SER 6 10.265 -16.721 7.395 24 HB2 SER 6 1HB SER 6 11.549 -15.207 5.847 25 HB3 SER 6 2HB SER 6 12.009 -15.072 7.544 26 HG SER 6 HG SER 6 13.927 -15.300 6.627 27 H GLY 7 H GLY 7 12.994 -18.047 5.507 28 HA2 GLY 7 1HA GLY 7 12.555 -19.962 4.041 29 HA3 GLY 7 2HA GLY 7 10.995 -19.236 3.686 30 H THR 8 H THR 8 12.506 -19.965 1.594 31 HA THR 8 HA THR 8 13.756 -17.478 0.634 32 HB THR 8 HB THR 8 14.852 -18.891 -1.092 33 HG1 THR 8 1HG THR 8 13.667 -21.009 0.407 34 HG21 THR 8 3HG2 THR 8 16.599 -19.206 0.280 35 HG22 THR 8 1HG2 THR 8 15.696 -20.303 1.323 36 HG23 THR 8 2HG2 THR 8 15.555 -18.559 1.545 37 H GLU 9 H GLU 9 10.899 -17.917 0.677 38 HA GLU 9 HA GLU 9 10.186 -18.415 -2.103 39 HB2 GLU 9 1HB GLU 9 8.694 -18.167 0.462 40 HB3 GLU 9 2HB GLU 9 7.841 -17.757 -1.020 41 HG2 GLU 9 1HG GLU 9 9.291 -20.359 -0.662 42 HG3 GLU 9 2HG GLU 9 7.609 -20.131 -0.189 43 H GLU 10 H GLU 10 8.594 -16.864 -3.118 44 HA GLU 10 HA GLU 10 9.325 -14.082 -2.481 45 HB2 GLU 10 1HB GLU 10 9.271 -15.515 -5.105 46 HB3 GLU 10 2HB GLU 10 8.898 -13.798 -5.062 47 HG2 GLU 10 1HG GLU 10 11.446 -15.139 -4.201 48 HG3 GLU 10 2HG GLU 10 11.210 -14.045 -5.563 49 H HIS 11 H HIS 11 7.470 -13.583 -1.368 50 HA HIS 11 HA HIS 11 5.331 -12.856 -1.088 51 HB2 HIS 11 1HB HIS 11 5.905 -11.924 -3.475 52 HB3 HIS 11 2HB HIS 11 4.769 -13.157 -4.015 53 HD2 HIS 11 2HD HIS 11 3.958 -11.202 -0.746 54 HE1 HIS 11 1HE HIS 11 1.342 -9.854 -3.801 55 HE2 HIS 11 2HE HIS 11 1.944 -9.700 -1.360 56 H VAL 12 H VAL 12 5.682 -15.439 -0.498 57 HA VAL 12 HA VAL 12 3.810 -17.126 -1.902 58 HB VAL 12 HB VAL 12 5.843 -18.085 -0.911 59 HG11 VAL 12 1HG1 VAL 12 4.851 -16.701 1.452 60 HG12 VAL 12 2HG1 VAL 12 5.311 -18.375 1.772 61 HG13 VAL 12 3HG1 VAL 12 6.479 -17.258 1.065 62 HG21 VAL 12 3HG2 VAL 12 3.310 -19.146 -0.884 63 HG22 VAL 12 1HG2 VAL 12 4.803 -20.042 -0.605 64 HG23 VAL 12 2HG2 VAL 12 3.870 -19.434 0.763 65 H GLY 13 H GLY 13 3.674 -14.889 0.678 66 HA2 GLY 13 1HA GLY 13 1.591 -14.105 1.524 67 HA3 GLY 13 2HA GLY 13 0.895 -15.685 1.192 68 H SER 14 H SER 14 3.831 -14.760 2.971 69 HA SER 14 HA SER 14 2.937 -16.438 5.189 70 HB2 SER 14 1HB SER 14 5.577 -15.367 4.285 71 HB3 SER 14 2HB SER 14 5.369 -15.761 5.992 72 HG SER 14 HG SER 14 4.718 -17.867 5.321 73 H GLY 15 H GLY 15 1.604 -15.373 6.530 74 HA2 GLY 15 1HA GLY 15 0.702 -13.586 7.720 75 HA3 GLY 15 2HA GLY 15 2.292 -13.667 8.464 76 H LEU 16 H LEU 16 1.272 -12.570 5.239 77 HA LEU 16 HA LEU 16 2.565 -9.990 5.827 78 HB2 LEU 16 1HB LEU 16 2.573 -9.870 3.232 79 HB3 LEU 16 2HB LEU 16 3.788 -10.826 4.077 80 HG LEU 16 HG LEU 16 2.620 -12.868 3.536 81 HD11 LEU 16 1HD1 LEU 16 0.458 -11.005 2.866 82 HD12 LEU 16 2HD1 LEU 16 0.389 -12.678 3.419 83 HD13 LEU 16 3HD1 LEU 16 0.682 -12.324 1.717 84 HD21 LEU 16 3HD2 LEU 16 3.864 -11.177 1.692 85 HD22 LEU 16 1HD2 LEU 16 2.450 -11.825 0.860 86 HD23 LEU 16 2HD2 LEU 16 3.638 -12.922 1.563 87 H GLU 17 H GLU 17 -0.395 -11.423 5.486 88 HA GLU 17 HA GLU 17 -2.028 -10.025 3.895 89 HB2 GLU 17 1HB GLU 17 -3.776 -10.145 5.650 90 HB3 GLU 17 2HB GLU 17 -2.900 -11.656 5.449 91 HG2 GLU 17 1HG GLU 17 -1.451 -10.869 7.398 92 HG3 GLU 17 2HG GLU 17 -2.710 -9.667 7.680 93 H CYS 18 H CYS 18 -2.932 -8.022 3.713 94 HA CYS 18 HA CYS 18 -1.522 -5.792 4.589 95 HB2 CYS 18 1HB CYS 18 -2.864 -5.396 2.732 96 HB3 CYS 18 2HB CYS 18 -4.263 -6.191 3.446 97 HA PRO 19 HA PRO 19 -2.820 -5.496 8.819 98 HB2 PRO 19 1HB PRO 19 -1.699 -3.076 9.322 99 HB3 PRO 19 2HB PRO 19 -0.756 -4.567 9.217 100 HG2 PRO 19 1HG PRO 19 -1.171 -2.439 7.153 101 HG3 PRO 19 2HG PRO 19 0.318 -3.294 7.595 102 HD2 PRO 19 1HD PRO 19 -1.145 -3.950 5.413 103 HD3 PRO 19 2HD PRO 19 -0.227 -5.151 6.344 104 H VAL 20 H VAL 20 -3.377 -2.961 6.436 105 HA VAL 20 HA VAL 20 -5.034 -1.254 7.839 106 HB VAL 20 HB VAL 20 -5.573 -2.007 4.975 107 HG11 VAL 20 1HG1 VAL 20 -5.750 0.670 5.104 108 HG12 VAL 20 2HG1 VAL 20 -7.114 -0.409 5.404 109 HG13 VAL 20 3HG1 VAL 20 -6.202 0.260 6.758 110 HG21 VAL 20 3HG2 VAL 20 -3.093 -1.133 6.062 111 HG22 VAL 20 1HG2 VAL 20 -3.525 -1.398 4.373 112 HG23 VAL 20 2HG2 VAL 20 -3.779 0.183 5.110 113 H CYS 21 H CYS 21 -5.961 -4.146 5.982 114 HA CYS 21 HA CYS 21 -8.584 -4.070 7.316 115 HB2 CYS 21 1HB CYS 21 -9.256 -5.648 5.428 116 HB3 CYS 21 2HB CYS 21 -8.937 -3.976 4.978 117 H LYS 22 H LYS 22 -5.649 -5.782 7.046 118 HA LYS 22 HA LYS 22 -4.859 -7.682 8.016 119 HB2 LYS 22 1HB LYS 22 -7.398 -7.626 9.654 120 HB3 LYS 22 2HB LYS 22 -5.901 -8.459 10.055 121 HG2 LYS 22 1HG LYS 22 -5.784 -5.524 9.634 122 HG3 LYS 22 2HG LYS 22 -6.535 -6.125 11.114 123 HD2 LYS 22 1HD LYS 22 -4.528 -7.348 11.682 124 HD3 LYS 22 2HD LYS 22 -3.779 -6.890 10.150 125 HE2 LYS 22 1HE LYS 22 -3.414 -4.725 10.822 126 HE3 LYS 22 2HE LYS 22 -4.755 -4.740 11.966 127 HZ1 LYS 22 3HZ LYS 22 -2.233 -4.879 12.723 128 HZ2 LYS 22 1HZ LYS 22 -2.527 -6.533 12.528 129 HZ3 LYS 22 2HZ LYS 22 -3.480 -5.625 13.590 130 H GLU 23 H GLU 23 -6.258 -7.965 5.611 131 HA GLU 23 HA GLU 23 -7.800 -10.439 5.961 132 HB2 GLU 23 1HB GLU 23 -7.567 -8.542 3.623 133 HB3 GLU 23 2HB GLU 23 -8.432 -10.070 3.555 134 HG2 GLU 23 1HG GLU 23 -9.141 -8.157 5.710 135 HG3 GLU 23 2HG GLU 23 -9.657 -7.794 4.064 136 H ASP 24 H ASP 24 -5.971 -9.434 3.122 137 HA ASP 24 HA ASP 24 -3.700 -10.997 3.421 138 HB2 ASP 24 1HB ASP 24 -4.301 -12.939 1.932 139 HB3 ASP 24 2HB ASP 24 -5.056 -12.965 3.523 140 H TYR 25 H TYR 25 -2.672 -11.531 1.231 141 HA TYR 25 HA TYR 25 -3.243 -9.288 -0.571 142 HB2 TYR 25 1HB TYR 25 -0.778 -10.962 -0.111 143 HB3 TYR 25 2HB TYR 25 -0.933 -9.882 -1.492 144 HD1 TYR 25 1HD TYR 25 -2.310 -7.573 -0.260 145 HD2 TYR 25 2HD TYR 25 0.880 -9.979 1.203 146 HE1 TYR 25 1HE TYR 25 -1.532 -5.692 1.121 147 HE2 TYR 25 2HE TYR 25 1.666 -8.105 2.588 148 HH TYR 25 HH TYR 25 1.205 -6.051 3.341 149 H ALA 26 H ALA 26 -2.219 -10.006 -2.911 150 HA ALA 26 HA ALA 26 -2.902 -12.627 -3.780 151 HB1 ALA 26 3HB ALA 26 -5.128 -12.291 -3.867 152 HB2 ALA 26 1HB ALA 26 -4.969 -10.534 -3.896 153 HB3 ALA 26 2HB ALA 26 -4.740 -11.466 -5.377 154 H LEU 27 H LEU 27 -1.869 -13.061 -5.641 155 HA LEU 27 HA LEU 27 0.085 -11.572 -6.735 156 HB2 LEU 27 1HB LEU 27 -1.742 -13.241 -8.447 157 HB3 LEU 27 2HB LEU 27 -0.032 -12.904 -8.708 158 HG LEU 27 HG LEU 27 0.188 -14.162 -6.382 159 HD11 LEU 27 1HD1 LEU 27 -1.553 -15.370 -5.710 160 HD12 LEU 27 2HD1 LEU 27 -1.844 -15.991 -7.335 161 HD13 LEU 27 3HD1 LEU 27 -2.527 -14.439 -6.849 162 HD21 LEU 27 3HD2 LEU 27 0.295 -14.950 -9.178 163 HD22 LEU 27 1HD2 LEU 27 -0.014 -16.310 -8.099 164 HD23 LEU 27 2HD2 LEU 27 1.412 -15.301 -7.858 165 H GLY 28 H GLY 28 -3.292 -11.544 -7.869 166 HA2 GLY 28 1HA GLY 28 -2.811 -9.465 -9.784 167 HA3 GLY 28 2HA GLY 28 -4.379 -10.092 -9.297 168 H GLU 29 H GLU 29 -3.617 -9.534 -6.420 169 HA GLU 29 HA GLU 29 -4.821 -6.965 -6.264 170 HB2 GLU 29 1HB GLU 29 -3.719 -8.929 -4.312 171 HB3 GLU 29 2HB GLU 29 -3.947 -7.272 -3.771 172 HG2 GLU 29 1HG GLU 29 -6.315 -7.422 -4.515 173 HG3 GLU 29 2HG GLU 29 -6.046 -9.129 -4.860 174 H SER 30 H SER 30 -3.851 -5.097 -6.645 175 HA SER 30 HA SER 30 -1.050 -4.796 -6.873 176 HB2 SER 30 1HB SER 30 -2.755 -3.387 -8.054 177 HB3 SER 30 2HB SER 30 -3.099 -2.597 -6.515 178 HG SER 30 HG SER 30 -0.964 -1.863 -6.468 179 H VAL 31 H VAL 31 0.167 -5.158 -5.105 180 HA VAL 31 HA VAL 31 -0.601 -3.929 -2.560 181 HB VAL 31 HB VAL 31 1.588 -5.272 -1.870 182 HG11 VAL 31 1HG1 VAL 31 -1.100 -6.550 -2.364 183 HG12 VAL 31 2HG1 VAL 31 0.146 -7.162 -1.274 184 HG13 VAL 31 3HG1 VAL 31 -0.636 -5.616 -0.942 185 HG21 VAL 31 3HG2 VAL 31 1.962 -5.903 -4.291 186 HG22 VAL 31 1HG2 VAL 31 1.973 -7.234 -3.135 187 HG23 VAL 31 2HG2 VAL 31 0.553 -6.954 -4.142 188 H ARG 32 H ARG 32 0.837 -2.622 -1.372 189 HA ARG 32 HA ARG 32 3.026 -1.443 -2.954 190 HB2 ARG 32 1HB ARG 32 1.597 0.343 -2.961 191 HB3 ARG 32 2HB ARG 32 0.793 -0.157 -1.479 192 HG2 ARG 32 1HG ARG 32 2.241 0.967 -0.148 193 HG3 ARG 32 2HG ARG 32 3.603 0.738 -1.247 194 HD2 ARG 32 1HD ARG 32 2.597 2.396 -2.778 195 HD3 ARG 32 2HD ARG 32 1.308 2.661 -1.605 196 HE ARG 32 HE ARG 32 2.755 3.915 -0.337 197 HH11 ARG 32 1HH1 ARG 32 4.542 2.173 -2.764 198 HH12 ARG 32 2HH1 ARG 32 6.026 3.015 -2.462 199 HH21 ARG 32 1HH2 ARG 32 4.702 5.030 0.070 200 HH22 ARG 32 2HH2 ARG 32 6.116 4.639 -0.849 201 H GLN 33 H GLN 33 4.952 -1.196 -1.958 202 HA GLN 33 HA GLN 33 5.145 -2.162 0.805 203 HB2 GLN 33 1HB GLN 33 6.466 -3.295 -1.010 204 HB3 GLN 33 2HB GLN 33 7.379 -1.804 -1.195 205 HG2 GLN 33 1HG GLN 33 8.553 -2.119 0.708 206 HG3 GLN 33 2HG GLN 33 7.214 -2.915 1.533 207 HE21 GLN 33 1HE2 GLN 33 8.682 -4.498 2.278 208 HE22 GLN 33 2HE2 GLN 33 9.223 -5.769 1.241 209 H LEU 34 H LEU 34 6.064 -0.967 2.414 210 HA LEU 34 HA LEU 34 6.470 1.871 1.824 211 HB2 LEU 34 1HB LEU 34 5.831 0.327 4.306 212 HB3 LEU 34 2HB LEU 34 6.485 1.960 4.413 213 HG LEU 34 HG LEU 34 3.841 1.079 3.286 214 HD11 LEU 34 1HD1 LEU 34 4.397 3.265 5.260 215 HD12 LEU 34 2HD1 LEU 34 4.240 1.584 5.766 216 HD13 LEU 34 3HD1 LEU 34 2.893 2.393 4.964 217 HD21 LEU 34 3HD2 LEU 34 3.767 3.741 2.976 218 HD22 LEU 34 1HD2 LEU 34 4.226 2.630 1.686 219 HD23 LEU 34 2HD2 LEU 34 5.472 3.452 2.626 220 HA PRO 35 HA PRO 35 10.801 1.849 2.523 221 HB2 PRO 35 1HB PRO 35 11.182 4.138 3.932 222 HB3 PRO 35 2HB PRO 35 10.770 4.126 2.214 223 HG2 PRO 35 1HG PRO 35 8.994 4.555 4.585 224 HG3 PRO 35 2HG PRO 35 9.026 5.424 3.040 225 HD2 PRO 35 1HD PRO 35 7.204 3.499 3.589 226 HD3 PRO 35 2HD PRO 35 7.821 3.789 1.950 227 H CYS 36 H CYS 36 8.709 1.124 4.918 228 HA CYS 36 HA CYS 36 10.822 0.908 6.961 229 HB2 CYS 36 1HB CYS 36 8.831 0.642 8.553 230 HB3 CYS 36 2HB CYS 36 9.119 2.247 7.889 231 H ASN 37 H ASN 37 9.722 -0.883 4.636 232 HA ASN 37 HA ASN 37 9.790 -3.136 4.255 233 HB2 ASN 37 1HB ASN 37 10.050 -3.822 7.145 234 HB3 ASN 37 2HB ASN 37 10.848 -4.533 5.745 235 HD21 ASN 37 1HD2 ASN 37 12.270 -2.814 4.562 236 HD22 ASN 37 2HD2 ASN 37 13.345 -1.944 5.597 237 H HIS 38 H HIS 38 7.394 -1.597 4.984 238 HA HIS 38 HA HIS 38 5.707 -3.829 5.909 239 HB2 HIS 38 1HB HIS 38 5.441 -0.871 6.436 240 HB3 HIS 38 2HB HIS 38 4.107 -1.996 6.672 241 HD2 HIS 38 2HD HIS 38 5.673 -4.373 8.253 242 HE1 HIS 38 1HE HIS 38 6.835 -1.296 10.933 243 HE2 HIS 38 2HE HIS 38 6.672 -3.783 10.565 244 H LEU 39 H LEU 39 4.254 -4.532 4.492 245 HA LEU 39 HA LEU 39 3.787 -2.960 2.069 246 HB2 LEU 39 1HB LEU 39 3.518 -5.846 2.785 247 HB3 LEU 39 2HB LEU 39 2.601 -5.199 1.427 248 HG LEU 39 HG LEU 39 5.546 -4.744 1.516 249 HD11 LEU 39 1HD1 LEU 39 6.127 -6.871 1.270 250 HD12 LEU 39 2HD1 LEU 39 4.878 -7.136 0.054 251 HD13 LEU 39 3HD1 LEU 39 4.492 -7.310 1.766 252 HD21 LEU 39 3HD2 LEU 39 4.363 -3.665 -0.243 253 HD22 LEU 39 1HD2 LEU 39 3.476 -5.139 -0.635 254 HD23 LEU 39 2HD2 LEU 39 5.208 -5.041 -0.953 255 H PHE 40 H PHE 40 1.622 -2.798 1.187 256 HA PHE 40 HA PHE 40 -0.637 -3.339 2.882 257 HB2 PHE 40 1HB PHE 40 -0.006 -0.448 2.271 258 HB3 PHE 40 2HB PHE 40 -1.349 -1.063 3.228 259 HD1 PHE 40 2HD PHE 40 2.355 -0.859 3.139 260 HD2 PHE 40 1HD PHE 40 -1.137 -1.331 5.527 261 HE1 PHE 40 2HE PHE 40 3.725 -0.669 5.174 262 HE2 PHE 40 1HE PHE 40 0.227 -1.141 7.566 263 HZ PHE 40 HZ PHE 40 2.662 -0.811 7.391 264 H HIS 41 H HIS 41 -2.603 -3.200 1.796 265 HA HIS 41 HA HIS 41 -2.601 -3.679 -0.936 266 HB2 HIS 41 1HB HIS 41 -4.776 -2.791 0.949 267 HB3 HIS 41 2HB HIS 41 -5.098 -3.073 -0.759 268 HD2 HIS 41 2HD HIS 41 -3.536 -5.880 -1.190 269 HE1 HIS 41 1HE HIS 41 -5.837 -7.250 2.101 270 HE2 HIS 41 2HE HIS 41 -4.363 -7.918 0.171 271 H ASP 42 H ASP 42 -2.691 -2.450 -2.727 272 HA ASP 42 HA ASP 42 -1.963 0.252 -2.654 273 HB2 ASP 42 1HB ASP 42 -1.497 -1.101 -4.603 274 HB3 ASP 42 2HB ASP 42 -3.216 -1.371 -4.876 275 H SER 43 H SER 43 -4.928 -1.143 -1.987 276 HA SER 43 HA SER 43 -6.396 1.304 -2.708 277 HB2 SER 43 1HB SER 43 -7.419 -0.621 -3.709 278 HB3 SER 43 2HB SER 43 -7.362 -1.514 -2.189 279 HG SER 43 HG SER 43 -9.442 -0.582 -2.704 280 H CYS 44 H CYS 44 -4.949 -0.236 -0.137 281 HA CYS 44 HA CYS 44 -6.815 0.909 1.825 282 HB2 CYS 44 1HB CYS 44 -4.670 -1.201 2.113 283 HB3 CYS 44 2HB CYS 44 -5.560 -0.520 3.472 284 H ILE 45 H ILE 45 -3.481 0.921 0.738 285 HA ILE 45 HA ILE 45 -2.645 2.747 2.827 286 HB ILE 45 HB ILE 45 -1.233 0.894 1.578 287 HG12 ILE 45 1HG1 ILE 45 0.791 2.052 2.266 288 HG13 ILE 45 2HG1 ILE 45 -0.052 3.597 2.253 289 HG21 ILE 45 1HG2 ILE 45 -0.774 3.340 -0.125 290 HG22 ILE 45 2HG2 ILE 45 0.177 1.857 -0.178 291 HG23 ILE 45 3HG2 ILE 45 -1.522 1.832 -0.649 292 HD11 ILE 45 3HD1 ILE 45 0.374 2.315 4.486 293 HD12 ILE 45 1HD1 ILE 45 -1.144 3.170 4.214 294 HD13 ILE 45 2HD1 ILE 45 -1.067 1.420 4.004 295 H VAL 46 H VAL 46 -3.117 2.833 -0.691 296 HA VAL 46 HA VAL 46 -2.276 5.303 -1.387 297 HB VAL 46 HB VAL 46 -4.586 3.664 -2.271 298 HG11 VAL 46 1HG1 VAL 46 -5.771 5.655 -2.377 299 HG12 VAL 46 2HG1 VAL 46 -4.336 6.605 -2.766 300 HG13 VAL 46 3HG1 VAL 46 -5.051 5.547 -3.983 301 HG21 VAL 46 3HG2 VAL 46 -3.370 3.412 -4.189 302 HG22 VAL 46 1HG2 VAL 46 -2.671 5.028 -4.088 303 HG23 VAL 46 2HG2 VAL 46 -2.060 3.736 -3.054 304 HA PRO 47 HA PRO 47 -6.339 7.413 0.165 305 HB2 PRO 47 1HB PRO 47 -7.991 5.931 1.728 306 HB3 PRO 47 2HB PRO 47 -8.126 5.983 -0.034 307 HG2 PRO 47 1HG PRO 47 -6.835 3.918 1.705 308 HG3 PRO 47 2HG PRO 47 -7.872 3.694 0.285 309 HD2 PRO 47 1HD PRO 47 -5.175 3.484 0.167 310 HD3 PRO 47 2HD PRO 47 -6.146 4.083 -1.193 311 H TRP 48 H TRP 48 -4.359 5.338 2.042 312 HA TRP 48 HA TRP 48 -4.936 6.619 4.571 313 HB2 TRP 48 1HB TRP 48 -4.356 4.270 4.606 314 HB3 TRP 48 2HB TRP 48 -2.843 4.591 3.763 315 HD1 TRP 48 HD TRP 48 -0.783 5.326 5.202 316 HE1 TRP 48 1HE TRP 48 -0.371 5.554 7.733 317 HE3 TRP 48 3HE TRP 48 -5.609 4.945 6.847 318 HZ2 TRP 48 2HZ TRP 48 -1.891 5.570 10.111 319 HZ3 TRP 48 3HZ TRP 48 -6.044 5.076 9.265 320 HH2 TRP 48 HH TRP 48 -4.223 5.382 10.862 321 H LEU 49 H LEU 49 -2.001 6.298 2.562 322 HA LEU 49 HA LEU 49 -0.428 8.141 3.907 323 HB2 LEU 49 1HB LEU 49 -0.364 7.764 0.926 324 HB3 LEU 49 2HB LEU 49 0.970 8.188 1.997 325 HG LEU 49 HG LEU 49 -0.406 5.507 1.837 326 HD11 LEU 49 1HD1 LEU 49 2.111 6.625 0.705 327 HD12 LEU 49 2HD1 LEU 49 0.939 5.524 -0.018 328 HD13 LEU 49 3HD1 LEU 49 2.069 4.933 1.200 329 HD21 LEU 49 3HD2 LEU 49 2.097 6.061 3.372 330 HD22 LEU 49 1HD2 LEU 49 0.935 4.747 3.555 331 HD23 LEU 49 2HD2 LEU 49 0.524 6.371 4.106 332 H GLU 50 H GLU 50 -2.919 8.654 1.494 333 HA GLU 50 HA GLU 50 -2.311 11.415 1.059 334 HB2 GLU 50 1HB GLU 50 -4.719 9.718 0.410 335 HB3 GLU 50 2HB GLU 50 -4.622 11.426 0.005 336 HG2 GLU 50 1HG GLU 50 -2.372 10.706 -1.131 337 HG3 GLU 50 2HG GLU 50 -3.138 9.118 -1.138 338 H GLN 51 H GLN 51 -3.272 9.990 3.771 339 HA GLN 51 HA GLN 51 -4.870 12.313 4.612 340 HB2 GLN 51 1HB GLN 51 -5.396 9.403 5.028 341 HB3 GLN 51 2HB GLN 51 -5.861 10.533 6.294 342 HG2 GLN 51 1HG GLN 51 -6.963 11.803 4.257 343 HG3 GLN 51 2HG GLN 51 -6.955 10.184 3.560 344 HE21 GLN 51 1HE2 GLN 51 -8.277 8.614 4.409 345 HE22 GLN 51 2HE2 GLN 51 -9.522 8.953 5.557 346 H HIS 52 H HIS 52 -2.568 9.805 5.477 347 HA HIS 52 HA HIS 52 -1.821 11.393 7.846 348 HB2 HIS 52 1HB HIS 52 -1.317 8.436 7.558 349 HB3 HIS 52 2HB HIS 52 -1.253 9.415 9.020 350 HD2 HIS 52 2HD HIS 52 -4.060 8.120 6.550 351 HE1 HIS 52 1HE HIS 52 -5.709 8.682 10.418 352 HE2 HIS 52 2HE HIS 52 -6.115 7.811 8.090 353 H ASP 53 H ASP 53 -0.843 10.128 4.854 354 HA ASP 53 HA ASP 53 1.154 9.989 3.758 355 HB2 ASP 53 1HB ASP 53 2.552 11.923 3.927 356 HB3 ASP 53 2HB ASP 53 0.892 12.462 4.166 357 H SER 54 H SER 54 0.882 8.363 6.157 358 HA SER 54 HA SER 54 3.705 7.782 6.551 359 HB2 SER 54 1HB SER 54 1.925 8.013 8.974 360 HB3 SER 54 2HB SER 54 3.682 7.867 8.917 361 HG SER 54 HG SER 54 3.838 9.948 8.635 362 H CYS 55 H CYS 55 3.791 5.771 8.165 363 HA CYS 55 HA CYS 55 2.271 3.714 6.846 364 HB2 CYS 55 1HB CYS 55 4.619 3.337 7.422 365 HB3 CYS 55 2HB CYS 55 4.249 3.554 9.129 366 HA PRO 56 HA PRO 56 -1.076 3.731 9.753 367 HB2 PRO 56 1HB PRO 56 -2.278 1.465 8.865 368 HB3 PRO 56 2HB PRO 56 -2.381 3.007 8.006 369 HG2 PRO 56 1HG PRO 56 -0.600 0.659 7.478 370 HG3 PRO 56 2HG PRO 56 -1.497 1.665 6.325 371 HD2 PRO 56 1HD PRO 56 1.151 1.989 6.786 372 HD3 PRO 56 2HD PRO 56 0.082 3.342 6.365 373 H VAL 57 H VAL 57 1.577 1.789 9.799 374 HA VAL 57 HA VAL 57 0.553 0.178 12.046 375 HB VAL 57 HB VAL 57 2.819 -0.449 10.150 376 HG11 VAL 57 1HG1 VAL 57 1.812 -2.225 12.354 377 HG12 VAL 57 2HG1 VAL 57 3.284 -2.388 11.395 378 HG13 VAL 57 3HG1 VAL 57 3.147 -1.098 12.591 379 HG21 VAL 57 3HG2 VAL 57 0.602 -2.342 10.524 380 HG22 VAL 57 1HG2 VAL 57 0.166 -0.823 9.741 381 HG23 VAL 57 2HG2 VAL 57 1.431 -1.840 9.050 382 H CYS 58 H CYS 58 3.757 1.225 10.881 383 HA CYS 58 HA CYS 58 4.535 1.780 13.640 384 HB2 CYS 58 1HB CYS 58 6.801 1.821 12.842 385 HB3 CYS 58 2HB CYS 58 6.006 0.416 12.139 386 H ARG 59 H ARG 59 3.497 3.413 10.839 387 HA ARG 59 HA ARG 59 3.245 5.610 10.311 388 HB2 ARG 59 1HB ARG 59 3.658 5.857 13.290 389 HB3 ARG 59 2HB ARG 59 3.273 7.231 12.262 390 HG2 ARG 59 1HG ARG 59 1.211 6.607 13.095 391 HG3 ARG 59 2HG ARG 59 1.249 5.820 11.516 392 HD2 ARG 59 1HD ARG 59 0.509 4.103 12.856 393 HD3 ARG 59 2HD ARG 59 2.249 3.818 12.860 394 HE ARG 59 HE ARG 59 2.349 4.599 15.075 395 HH11 ARG 59 1HH1 ARG 59 -0.888 4.616 13.796 396 HH12 ARG 59 2HH1 ARG 59 -1.642 4.752 15.350 397 HH21 ARG 59 1HH2 ARG 59 1.370 4.778 17.127 398 HH22 ARG 59 2HH2 ARG 59 -0.356 4.845 17.244 399 H LYS 60 H LYS 60 5.726 4.562 9.758 400 HA LYS 60 HA LYS 60 7.838 6.206 10.762 401 HB2 LYS 60 1HB LYS 60 7.574 4.127 8.634 402 HB3 LYS 60 2HB LYS 60 8.979 5.185 8.604 403 HG2 LYS 60 1HG LYS 60 8.312 3.888 11.181 404 HG3 LYS 60 2HG LYS 60 8.961 2.868 9.895 405 HD2 LYS 60 1HD LYS 60 10.923 3.531 10.842 406 HD3 LYS 60 2HD LYS 60 10.699 4.874 9.718 407 HE2 LYS 60 1HE LYS 60 9.693 6.206 11.493 408 HE3 LYS 60 2HE LYS 60 9.863 4.858 12.617 409 HZ1 LYS 60 3HZ LYS 60 12.299 4.992 12.223 410 HZ2 LYS 60 1HZ LYS 60 11.651 6.356 12.986 411 HZ3 LYS 60 2HZ LYS 60 12.043 6.414 11.342 412 H SER 61 H SER 61 8.464 8.156 10.103 413 HA SER 61 HA SER 61 7.004 9.736 8.356 414 HB2 SER 61 1HB SER 61 8.877 10.326 10.120 415 HB3 SER 61 2HB SER 61 9.928 10.271 8.706 416 HG SER 61 HG SER 61 8.022 11.684 7.847 417 H LEU 62 H LEU 62 6.662 9.313 6.274 418 HA LEU 62 HA LEU 62 8.662 8.001 4.651 419 HB2 LEU 62 1HB LEU 62 6.039 9.155 3.737 420 HB3 LEU 62 2HB LEU 62 7.004 7.908 2.950 421 HG LEU 62 HG LEU 62 5.610 7.551 5.600 422 HD11 LEU 62 1HD1 LEU 62 3.732 6.924 4.566 423 HD12 LEU 62 2HD1 LEU 62 4.604 6.074 3.292 424 HD13 LEU 62 3HD1 LEU 62 4.361 7.817 3.181 425 HD21 LEU 62 3HD2 LEU 62 7.474 6.067 5.373 426 HD22 LEU 62 1HD2 LEU 62 7.006 5.649 3.725 427 HD23 LEU 62 2HD2 LEU 62 5.999 5.143 5.082 428 H THR 63 H THR 63 9.511 10.501 5.621 429 HA THR 63 HA THR 63 10.229 11.763 3.134 430 HB THR 63 HB THR 63 8.177 12.954 3.442 431 HG1 THR 63 1HG THR 63 9.993 14.788 4.557 432 HG21 THR 63 3HG2 THR 63 7.696 14.209 5.520 433 HG22 THR 63 1HG2 THR 63 9.114 13.473 6.266 434 HG23 THR 63 2HG2 THR 63 7.751 12.465 5.779 435 H GLY 64 H GLY 64 12.081 13.024 3.293 436 HA2 GLY 64 1HA GLY 64 13.402 14.364 5.053 437 HA3 GLY 64 2HA GLY 64 13.458 12.818 5.887 438 H GLN 65 H GLN 65 14.253 10.966 4.388 439 HA GLN 65 HA GLN 65 16.896 11.203 3.886 440 HB2 GLN 65 1HB GLN 65 15.673 9.074 3.791 441 HB3 GLN 65 2HB GLN 65 14.964 9.547 2.252 442 HG2 GLN 65 1HG GLN 65 17.472 9.790 1.530 443 HG3 GLN 65 2HG GLN 65 17.741 8.688 2.879 444 HE21 GLN 65 1HE2 GLN 65 16.665 6.637 2.840 445 HE22 GLN 65 2HE2 GLN 65 16.244 5.909 1.331 446 H ASN 66 H ASN 66 18.124 12.366 2.571 447 HA ASN 66 HA ASN 66 18.656 13.921 0.969 448 HB2 ASN 66 1HB ASN 66 17.349 11.788 -0.736 449 HB3 ASN 66 2HB ASN 66 18.452 13.030 -1.322 450 HD21 ASN 66 1HD2 ASN 66 18.254 9.897 -0.462 451 HD22 ASN 66 2HD2 ASN 66 19.897 9.601 -0.017 452 H THR 67 H THR 67 16.317 14.676 2.224 453 HA THR 67 HA THR 67 14.407 15.915 2.007 454 HB THR 67 HB THR 67 15.401 16.993 -0.595 455 HG1 THR 67 1HG THR 67 16.605 17.742 1.862 456 HG21 THR 67 3HG2 THR 67 14.388 18.315 1.924 457 HG22 THR 67 1HG2 THR 67 13.406 17.934 0.511 458 HG23 THR 67 2HG2 THR 67 14.714 19.110 0.385 459 H ALA 68 H ALA 68 13.855 13.420 1.189 460 HA ALA 68 HA ALA 68 12.708 13.436 -1.468 461 HB1 ALA 68 3HB ALA 68 13.791 11.423 -0.430 462 HB2 ALA 68 1HB ALA 68 12.397 11.315 0.645 463 HB3 ALA 68 2HB ALA 68 12.182 11.147 -1.098 464 H THR 69 H THR 69 11.253 15.248 -1.060 465 HA THR 69 HA THR 69 9.079 14.904 0.796 466 HB THR 69 HB THR 69 9.298 16.937 -1.429 467 HG1 THR 69 1HG THR 69 11.025 17.418 -0.211 468 HG21 THR 69 3HG2 THR 69 7.119 16.402 0.016 469 HG22 THR 69 1HG2 THR 69 7.546 18.040 -0.475 470 HG23 THR 69 2HG2 THR 69 7.934 17.478 1.150 471 H ASN 70 H ASN 70 7.892 13.113 0.247 472 HA ASN 70 HA ASN 70 6.876 12.866 -2.477 473 HB2 ASN 70 1HB ASN 70 7.626 10.792 -1.645 474 HB3 ASN 70 2HB ASN 70 6.866 11.048 -0.077 475 HD21 ASN 70 1HD2 ASN 70 5.416 9.493 0.129 476 HD22 ASN 70 2HD2 ASN 70 4.204 9.085 -1.032 477 HA PRO 71 HA PRO 71 3.217 15.054 -1.064 478 HB2 PRO 71 1HB PRO 71 2.103 15.257 -3.531 479 HB3 PRO 71 2HB PRO 71 3.397 16.323 -2.971 480 HG2 PRO 71 1HG PRO 71 3.563 13.901 -4.724 481 HG3 PRO 71 2HG PRO 71 4.383 15.464 -4.894 482 HD2 PRO 71 1HD PRO 71 5.612 13.277 -3.875 483 HD3 PRO 71 2HD PRO 71 6.002 14.925 -3.344 484 HA PRO 72 HA PRO 72 0.363 11.709 -0.700 485 HB2 PRO 72 1HB PRO 72 -1.899 13.122 -0.191 486 HB3 PRO 72 2HB PRO 72 -0.607 12.917 0.998 487 HG2 PRO 72 1HG PRO 72 -1.173 15.241 -0.803 488 HG3 PRO 72 2HG PRO 72 -0.712 15.238 0.910 489 HD2 PRO 72 1HD PRO 72 1.063 15.730 -1.076 490 HD3 PRO 72 2HD PRO 72 1.522 14.924 0.438 491 H GLY 73 H GLY 73 0.060 10.700 -2.635 492 HA2 GLY 73 1HA GLY 73 -0.758 10.286 -4.756 493 HA3 GLY 73 2HA GLY 73 -2.269 10.812 -4.029 494 H LEU 74 H LEU 74 -3.255 12.478 -4.953 495 HA LEU 74 HA LEU 74 -1.933 13.917 -7.077 496 HB2 LEU 74 1HB LEU 74 -4.217 13.220 -7.391 497 HB3 LEU 74 2HB LEU 74 -4.720 14.089 -5.943 498 HG LEU 74 HG LEU 74 -4.141 16.218 -7.083 499 HD11 LEU 74 1HD1 LEU 74 -3.890 14.540 -9.569 500 HD12 LEU 74 2HD1 LEU 74 -2.511 15.170 -8.669 501 HD13 LEU 74 3HD1 LEU 74 -3.661 16.282 -9.412 502 HD21 LEU 74 3HD2 LEU 74 -6.232 14.345 -8.082 503 HD22 LEU 74 1HD2 LEU 74 -6.019 15.898 -8.891 504 HD23 LEU 74 2HD2 LEU 74 -6.401 15.845 -7.169 505 H THR 75 H THR 75 -0.580 15.503 -6.533 506 HA THR 75 HA THR 75 -0.248 16.881 -4.250 507 HB THR 75 HB THR 75 -0.102 18.134 -6.999 508 HG1 THR 75 1HG THR 75 1.457 16.713 -7.195 509 HG21 THR 75 3HG2 THR 75 0.179 19.973 -5.677 510 HG22 THR 75 1HG2 THR 75 1.830 19.358 -5.636 511 HG23 THR 75 2HG2 THR 75 0.734 19.031 -4.294 512 H GLY 76 H GLY 76 -1.536 18.021 -2.969 513 HA2 GLY 76 1HA GLY 76 -2.814 20.112 -2.761 514 HA3 GLY 76 2HA GLY 76 -3.669 19.638 -4.222 515 H VAL 77 H VAL 77 -3.349 19.154 -0.792 516 HA VAL 77 HA VAL 77 -5.935 17.752 -0.808 517 HB VAL 77 HB VAL 77 -5.169 16.400 1.135 518 HG11 VAL 77 1HG1 VAL 77 -3.288 15.235 -0.509 519 HG12 VAL 77 2HG1 VAL 77 -5.027 14.933 -0.542 520 HG13 VAL 77 3HG1 VAL 77 -4.316 16.124 -1.632 521 HG21 VAL 77 3HG2 VAL 77 -2.512 16.232 1.082 522 HG22 VAL 77 1HG2 VAL 77 -2.680 17.924 0.615 523 HG23 VAL 77 2HG2 VAL 77 -3.365 17.357 2.139 524 H GLY 78 H GLY 78 -3.596 19.657 1.047 525 HA2 GLY 78 1HA GLY 78 -5.754 21.173 2.235 526 HA3 GLY 78 2HA GLY 78 -4.860 20.181 3.377 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -2.943 -34.030 -6.957 2 HA2 GLY 1 1HA GLY 1 -0.599 -34.972 -5.736 3 HA3 GLY 1 2HA GLY 1 -0.137 -33.860 -7.016 4 H SER 2 H SER 2 -2.758 -33.895 -4.599 5 HA SER 2 HA SER 2 -2.641 -31.089 -4.202 6 HB2 SER 2 1HB SER 2 -3.942 -33.297 -2.598 7 HB3 SER 2 2HB SER 2 -4.131 -31.584 -2.226 8 HG SER 2 HG SER 2 -5.548 -32.981 -3.909 9 H SER 3 H SER 3 -0.624 -30.408 -3.592 10 HA SER 3 HA SER 3 0.500 -31.532 -1.121 11 HB2 SER 3 1HB SER 3 1.778 -29.846 -3.285 12 HB3 SER 3 2HB SER 3 2.597 -30.362 -1.810 13 HG SER 3 HG SER 3 3.011 -32.145 -2.818 14 H GLY 4 H GLY 4 1.389 -30.069 0.473 15 HA2 GLY 4 1HA GLY 4 -0.235 -27.627 0.677 16 HA3 GLY 4 2HA GLY 4 0.520 -28.469 2.021 17 H SER 5 H SER 5 2.343 -27.645 2.808 18 HA SER 5 HA SER 5 3.627 -25.478 1.320 19 HB2 SER 5 1HB SER 5 2.848 -25.304 3.784 20 HB3 SER 5 2HB SER 5 4.288 -26.253 4.152 21 HG SER 5 HG SER 5 5.175 -24.333 4.175 22 H SER 6 H SER 6 5.624 -25.618 0.494 23 HA SER 6 HA SER 6 7.113 -28.112 0.966 24 HB2 SER 6 1HB SER 6 6.259 -27.312 -1.408 25 HB3 SER 6 2HB SER 6 7.719 -26.324 -1.353 26 HG SER 6 HG SER 6 7.466 -28.967 -1.826 27 H GLY 7 H GLY 7 7.810 -24.728 0.052 28 HA2 GLY 7 1HA GLY 7 9.905 -24.677 2.108 29 HA3 GLY 7 2HA GLY 7 10.351 -24.311 0.448 30 H THR 8 H THR 8 10.765 -22.196 0.398 31 HA THR 8 HA THR 8 8.741 -20.377 1.533 32 HB THR 8 HB THR 8 10.557 -18.716 1.849 33 HG1 THR 8 1HG THR 8 12.686 -19.355 1.582 34 HG21 THR 8 3HG2 THR 8 10.307 -19.590 3.905 35 HG22 THR 8 1HG2 THR 8 11.831 -20.412 3.574 36 HG23 THR 8 2HG2 THR 8 10.301 -21.247 3.304 37 H GLU 9 H GLU 9 7.604 -20.207 -0.417 38 HA GLU 9 HA GLU 9 8.794 -19.631 -2.909 39 HB2 GLU 9 1HB GLU 9 6.279 -20.287 -2.086 40 HB3 GLU 9 2HB GLU 9 6.076 -18.584 -2.471 41 HG2 GLU 9 1HG GLU 9 5.528 -19.725 -4.433 42 HG3 GLU 9 2HG GLU 9 7.157 -19.107 -4.702 43 H GLU 10 H GLU 10 7.649 -17.474 -4.010 44 HA GLU 10 HA GLU 10 8.916 -15.268 -2.550 45 HB2 GLU 10 1HB GLU 10 9.850 -15.433 -4.701 46 HB3 GLU 10 2HB GLU 10 8.289 -15.727 -5.453 47 HG2 GLU 10 1HG GLU 10 7.715 -13.513 -5.461 48 HG3 GLU 10 2HG GLU 10 8.746 -13.128 -4.085 49 H HIS 11 H HIS 11 7.266 -14.713 -1.133 50 HA HIS 11 HA HIS 11 5.509 -13.407 -0.479 51 HB2 HIS 11 1HB HIS 11 6.142 -12.197 -2.732 52 HB3 HIS 11 2HB HIS 11 4.645 -12.927 -3.304 53 HD2 HIS 11 2HD HIS 11 2.496 -11.357 -2.856 54 HE1 HIS 11 1HE HIS 11 4.080 -9.059 0.340 55 HE2 HIS 11 2HE HIS 11 2.081 -9.468 -1.138 56 H VAL 12 H VAL 12 5.248 -16.160 -0.647 57 HA VAL 12 HA VAL 12 2.958 -17.040 -2.035 58 HB VAL 12 HB VAL 12 4.549 -18.650 -1.205 59 HG11 VAL 12 1HG1 VAL 12 5.085 -17.246 0.859 60 HG12 VAL 12 2HG1 VAL 12 3.704 -18.046 1.613 61 HG13 VAL 12 3HG1 VAL 12 5.079 -18.998 1.053 62 HG21 VAL 12 3HG2 VAL 12 2.694 -19.912 -1.330 63 HG22 VAL 12 1HG2 VAL 12 2.764 -19.890 0.432 64 HG23 VAL 12 2HG2 VAL 12 1.724 -18.752 -0.424 65 H GLY 13 H GLY 13 3.397 -15.973 1.332 66 HA2 GLY 13 1HA GLY 13 1.280 -14.476 1.821 67 HA3 GLY 13 2HA GLY 13 0.503 -16.051 1.740 68 H SER 14 H SER 14 3.681 -15.271 3.083 69 HA SER 14 HA SER 14 2.996 -16.647 5.527 70 HB2 SER 14 1HB SER 14 5.224 -16.948 4.569 71 HB3 SER 14 2HB SER 14 5.535 -15.217 4.698 72 HG SER 14 HG SER 14 6.012 -17.047 6.507 73 H GLY 15 H GLY 15 1.542 -15.469 6.694 74 HA2 GLY 15 1HA GLY 15 0.627 -13.609 7.760 75 HA3 GLY 15 2HA GLY 15 2.188 -13.683 8.564 76 H LEU 16 H LEU 16 1.070 -12.621 5.347 77 HA LEU 16 HA LEU 16 2.508 -10.091 5.811 78 HB2 LEU 16 1HB LEU 16 2.497 -10.049 3.217 79 HB3 LEU 16 2HB LEU 16 3.683 -11.030 4.076 80 HG LEU 16 HG LEU 16 2.468 -13.039 3.582 81 HD11 LEU 16 1HD1 LEU 16 0.231 -12.748 3.612 82 HD12 LEU 16 2HD1 LEU 16 0.455 -12.565 1.873 83 HD13 LEU 16 3HD1 LEU 16 0.319 -11.137 2.898 84 HD21 LEU 16 3HD2 LEU 16 3.608 -11.355 1.631 85 HD22 LEU 16 1HD2 LEU 16 2.187 -12.100 0.897 86 HD23 LEU 16 2HD2 LEU 16 3.452 -13.113 1.595 87 H GLU 17 H GLU 17 -0.496 -11.426 5.593 88 HA GLU 17 HA GLU 17 -2.093 -10.007 3.955 89 HB2 GLU 17 1HB GLU 17 -3.854 -10.112 5.669 90 HB3 GLU 17 2HB GLU 17 -2.970 -11.626 5.545 91 HG2 GLU 17 1HG GLU 17 -1.560 -10.705 7.494 92 HG3 GLU 17 2HG GLU 17 -2.894 -9.574 7.717 93 H CYS 18 H CYS 18 -2.941 -7.981 3.768 94 HA CYS 18 HA CYS 18 -1.477 -5.785 4.629 95 HB2 CYS 18 1HB CYS 18 -2.822 -5.331 2.798 96 HB3 CYS 18 2HB CYS 18 -4.224 -6.133 3.497 97 HA PRO 19 HA PRO 19 -2.712 -5.434 8.872 98 HB2 PRO 19 1HB PRO 19 -1.559 -3.022 9.341 99 HB3 PRO 19 2HB PRO 19 -0.634 -4.524 9.231 100 HG2 PRO 19 1HG PRO 19 -1.058 -2.406 7.159 101 HG3 PRO 19 2HG PRO 19 0.429 -3.272 7.584 102 HD2 PRO 19 1HD PRO 19 -1.074 -3.928 5.430 103 HD3 PRO 19 2HD PRO 19 -0.154 -5.132 6.355 104 H VAL 20 H VAL 20 -3.280 -2.909 6.481 105 HA VAL 20 HA VAL 20 -4.897 -1.175 7.896 106 HB VAL 20 HB VAL 20 -5.488 -1.946 5.046 107 HG11 VAL 20 1HG1 VAL 20 -5.562 0.790 5.291 108 HG12 VAL 20 2HG1 VAL 20 -6.959 -0.287 5.333 109 HG13 VAL 20 3HG1 VAL 20 -6.204 0.238 6.838 110 HG21 VAL 20 3HG2 VAL 20 -3.449 -1.348 4.402 111 HG22 VAL 20 1HG2 VAL 20 -3.673 0.233 5.151 112 HG23 VAL 20 2HG2 VAL 20 -2.983 -1.095 6.084 113 H CYS 21 H CYS 21 -5.915 -4.032 6.026 114 HA CYS 21 HA CYS 21 -8.510 -3.924 7.408 115 HB2 CYS 21 1HB CYS 21 -9.216 -5.526 5.554 116 HB3 CYS 21 2HB CYS 21 -8.875 -3.867 5.070 117 H LYS 22 H LYS 22 -5.622 -5.750 7.020 118 HA LYS 22 HA LYS 22 -4.838 -7.616 8.062 119 HB2 LYS 22 1HB LYS 22 -7.368 -7.487 9.712 120 HB3 LYS 22 2HB LYS 22 -5.900 -8.372 10.109 121 HG2 LYS 22 1HG LYS 22 -5.680 -5.445 9.677 122 HG3 LYS 22 2HG LYS 22 -6.443 -6.014 11.163 123 HD2 LYS 22 1HD LYS 22 -4.476 -7.316 11.714 124 HD3 LYS 22 2HD LYS 22 -3.719 -6.867 10.184 125 HE2 LYS 22 1HE LYS 22 -3.325 -4.697 10.865 126 HE3 LYS 22 2HE LYS 22 -4.618 -4.728 12.062 127 HZ1 LYS 22 3HZ LYS 22 -2.627 -4.796 13.270 128 HZ2 LYS 22 1HZ LYS 22 -1.930 -5.951 12.250 129 HZ3 LYS 22 2HZ LYS 22 -3.191 -6.391 13.288 130 H GLU 23 H GLU 23 -6.287 -7.890 5.669 131 HA GLU 23 HA GLU 23 -7.840 -10.349 6.054 132 HB2 GLU 23 1HB GLU 23 -7.610 -8.472 3.699 133 HB3 GLU 23 2HB GLU 23 -8.491 -9.993 3.650 134 HG2 GLU 23 1HG GLU 23 -9.168 -8.076 5.807 135 HG3 GLU 23 2HG GLU 23 -9.678 -7.689 4.165 136 H ASP 24 H ASP 24 -6.041 -9.395 3.180 137 HA ASP 24 HA ASP 24 -3.780 -10.980 3.474 138 HB2 ASP 24 1HB ASP 24 -5.199 -12.918 3.605 139 HB3 ASP 24 2HB ASP 24 -6.097 -12.420 2.174 140 H TYR 25 H TYR 25 -2.774 -11.534 1.282 141 HA TYR 25 HA TYR 25 -3.351 -9.306 -0.539 142 HB2 TYR 25 1HB TYR 25 -0.876 -10.960 -0.061 143 HB3 TYR 25 2HB TYR 25 -1.039 -9.899 -1.455 144 HD1 TYR 25 1HD TYR 25 -2.460 -7.600 -0.209 145 HD2 TYR 25 2HD TYR 25 0.809 -9.933 1.197 146 HE1 TYR 25 1HE TYR 25 -1.693 -5.697 1.148 147 HE2 TYR 25 2HE TYR 25 1.584 -8.037 2.558 148 HH TYR 25 HH TYR 25 0.398 -5.929 3.624 149 H ALA 26 H ALA 26 -2.364 -10.021 -2.877 150 HA ALA 26 HA ALA 26 -3.111 -12.673 -3.683 151 HB1 ALA 26 3HB ALA 26 -4.760 -10.553 -4.983 152 HB2 ALA 26 1HB ALA 26 -5.062 -12.285 -4.839 153 HB3 ALA 26 2HB ALA 26 -5.276 -11.233 -3.439 154 H LEU 27 H LEU 27 -1.943 -13.239 -5.410 155 HA LEU 27 HA LEU 27 0.132 -11.929 -6.469 156 HB2 LEU 27 1HB LEU 27 -1.785 -13.819 -7.781 157 HB3 LEU 27 2HB LEU 27 -0.413 -13.164 -8.673 158 HG LEU 27 HG LEU 27 -0.122 -14.692 -6.094 159 HD11 LEU 27 1HD1 LEU 27 -0.671 -15.647 -8.798 160 HD12 LEU 27 2HD1 LEU 27 -0.776 -16.488 -7.252 161 HD13 LEU 27 3HD1 LEU 27 0.778 -16.346 -8.074 162 HD21 LEU 27 3HD2 LEU 27 2.044 -14.244 -6.283 163 HD22 LEU 27 1HD2 LEU 27 1.654 -13.139 -7.601 164 HD23 LEU 27 2HD2 LEU 27 2.068 -14.818 -7.951 165 H GLY 28 H GLY 28 -3.196 -11.639 -7.682 166 HA2 GLY 28 1HA GLY 28 -2.436 -9.650 -9.637 167 HA3 GLY 28 2HA GLY 28 -4.066 -10.208 -9.291 168 H GLU 29 H GLU 29 -3.698 -9.672 -6.388 169 HA GLU 29 HA GLU 29 -4.814 -7.108 -6.298 170 HB2 GLU 29 1HB GLU 29 -3.726 -9.009 -4.281 171 HB3 GLU 29 2HB GLU 29 -3.979 -7.344 -3.779 172 HG2 GLU 29 1HG GLU 29 -6.194 -8.714 -5.195 173 HG3 GLU 29 2HG GLU 29 -5.852 -9.188 -3.532 174 H SER 30 H SER 30 -3.899 -5.202 -6.617 175 HA SER 30 HA SER 30 -1.104 -4.839 -6.849 176 HB2 SER 30 1HB SER 30 -2.856 -3.465 -8.015 177 HB3 SER 30 2HB SER 30 -3.187 -2.678 -6.473 178 HG SER 30 HG SER 30 -1.372 -1.589 -6.625 179 H VAL 31 H VAL 31 0.164 -5.110 -5.114 180 HA VAL 31 HA VAL 31 -0.640 -3.901 -2.562 181 HB VAL 31 HB VAL 31 1.540 -5.257 -1.854 182 HG11 VAL 31 1HG1 VAL 31 -1.191 -6.451 -2.307 183 HG12 VAL 31 2HG1 VAL 31 0.057 -7.151 -1.276 184 HG13 VAL 31 3HG1 VAL 31 -0.641 -5.581 -0.876 185 HG21 VAL 31 3HG2 VAL 31 0.486 -6.851 -4.187 186 HG22 VAL 31 1HG2 VAL 31 2.006 -5.958 -4.181 187 HG23 VAL 31 2HG2 VAL 31 1.779 -7.320 -3.084 188 H ARG 32 H ARG 32 0.827 -2.617 -1.368 189 HA ARG 32 HA ARG 32 3.018 -1.459 -2.962 190 HB2 ARG 32 1HB ARG 32 1.602 0.338 -2.965 191 HB3 ARG 32 2HB ARG 32 0.807 -0.149 -1.474 192 HG2 ARG 32 1HG ARG 32 2.281 0.961 -0.158 193 HG3 ARG 32 2HG ARG 32 3.627 0.722 -1.274 194 HD2 ARG 32 1HD ARG 32 2.609 2.386 -2.795 195 HD3 ARG 32 2HD ARG 32 1.343 2.664 -1.599 196 HE ARG 32 HE ARG 32 2.839 3.869 -0.325 197 HH11 ARG 32 1HH1 ARG 32 4.511 2.244 -2.910 198 HH12 ARG 32 2HH1 ARG 32 5.995 3.105 -2.666 199 HH21 ARG 32 1HH2 ARG 32 4.787 5.009 0.006 200 HH22 ARG 32 2HH2 ARG 32 6.151 4.677 -1.006 201 H GLN 33 H GLN 33 4.952 -1.242 -1.979 202 HA GLN 33 HA GLN 33 5.148 -2.205 0.785 203 HB2 GLN 33 1HB GLN 33 6.450 -3.354 -1.029 204 HB3 GLN 33 2HB GLN 33 7.372 -1.870 -1.231 205 HG2 GLN 33 1HG GLN 33 8.561 -2.183 0.662 206 HG3 GLN 33 2HG GLN 33 7.223 -2.963 1.505 207 HE21 GLN 33 1HE2 GLN 33 8.725 -4.534 2.244 208 HE22 GLN 33 2HE2 GLN 33 9.232 -5.822 1.212 209 H LEU 34 H LEU 34 6.151 -1.039 2.382 210 HA LEU 34 HA LEU 34 6.558 1.803 1.795 211 HB2 LEU 34 1HB LEU 34 5.943 0.266 4.291 212 HB3 LEU 34 2HB LEU 34 6.586 1.904 4.375 213 HG LEU 34 HG LEU 34 3.948 1.015 3.228 214 HD11 LEU 34 1HD1 LEU 34 4.278 1.382 5.725 215 HD12 LEU 34 2HD1 LEU 34 2.970 2.272 4.947 216 HD13 LEU 34 3HD1 LEU 34 4.485 3.089 5.331 217 HD21 LEU 34 3HD2 LEU 34 4.201 2.672 1.745 218 HD22 LEU 34 1HD2 LEU 34 5.584 3.355 2.599 219 HD23 LEU 34 2HD2 LEU 34 3.945 3.745 3.121 220 HA PRO 35 HA PRO 35 10.895 1.729 2.451 221 HB2 PRO 35 1HB PRO 35 11.316 4.018 3.848 222 HB3 PRO 35 2HB PRO 35 10.888 4.005 2.133 223 HG2 PRO 35 1HG PRO 35 9.139 4.464 4.519 224 HG3 PRO 35 2HG PRO 35 9.168 5.327 2.970 225 HD2 PRO 35 1HD PRO 35 7.328 3.425 3.543 226 HD3 PRO 35 2HD PRO 35 7.934 3.702 1.898 227 H CYS 36 H CYS 36 8.816 1.040 4.868 228 HA CYS 36 HA CYS 36 10.944 0.808 6.894 229 HB2 CYS 36 1HB CYS 36 8.963 0.567 8.503 230 HB3 CYS 36 2HB CYS 36 9.264 2.167 7.832 231 H ASN 37 H ASN 37 9.800 -0.980 4.585 232 HA ASN 37 HA ASN 37 9.838 -3.234 4.211 233 HB2 ASN 37 1HB ASN 37 10.136 -3.896 7.105 234 HB3 ASN 37 2HB ASN 37 10.886 -4.647 5.700 235 HD21 ASN 37 1HD2 ASN 37 12.088 -3.728 8.185 236 HD22 ASN 37 2HD2 ASN 37 13.294 -2.574 7.737 237 H HIS 38 H HIS 38 7.458 -1.711 4.862 238 HA HIS 38 HA HIS 38 5.763 -3.912 5.844 239 HB2 HIS 38 1HB HIS 38 5.524 -0.953 6.385 240 HB3 HIS 38 2HB HIS 38 4.190 -2.074 6.639 241 HD2 HIS 38 2HD HIS 38 5.723 -4.457 8.210 242 HE1 HIS 38 1HE HIS 38 7.023 -1.396 10.844 243 HE2 HIS 38 2HE HIS 38 6.786 -3.879 10.496 244 H LEU 39 H LEU 39 4.282 -4.589 4.443 245 HA LEU 39 HA LEU 39 3.805 -2.999 2.033 246 HB2 LEU 39 1HB LEU 39 3.519 -5.888 2.731 247 HB3 LEU 39 2HB LEU 39 2.597 -5.222 1.385 248 HG LEU 39 HG LEU 39 5.546 -4.790 1.453 249 HD11 LEU 39 1HD1 LEU 39 6.103 -6.925 1.230 250 HD12 LEU 39 2HD1 LEU 39 4.885 -7.165 -0.021 251 HD13 LEU 39 3HD1 LEU 39 4.453 -7.357 1.678 252 HD21 LEU 39 3HD2 LEU 39 4.381 -3.698 -0.299 253 HD22 LEU 39 1HD2 LEU 39 3.443 -5.144 -0.671 254 HD23 LEU 39 2HD2 LEU 39 5.171 -5.101 -1.020 255 H PHE 40 H PHE 40 1.643 -2.781 1.186 256 HA PHE 40 HA PHE 40 -0.605 -3.324 2.903 257 HB2 PHE 40 1HB PHE 40 0.044 -0.437 2.288 258 HB3 PHE 40 2HB PHE 40 -1.294 -1.042 3.259 259 HD1 PHE 40 2HD PHE 40 2.417 -0.931 3.130 260 HD2 PHE 40 1HD PHE 40 -1.065 -1.256 5.555 261 HE1 PHE 40 2HE PHE 40 3.812 -0.757 5.149 262 HE2 PHE 40 1HE PHE 40 0.324 -1.081 7.579 263 HZ PHE 40 HZ PHE 40 2.766 -0.832 7.377 264 H HIS 41 H HIS 41 -2.558 -3.253 1.825 265 HA HIS 41 HA HIS 41 -2.610 -3.710 -0.892 266 HB2 HIS 41 1HB HIS 41 -4.745 -2.769 1.011 267 HB3 HIS 41 2HB HIS 41 -5.093 -3.054 -0.692 268 HD2 HIS 41 2HD HIS 41 -3.641 -5.891 -1.160 269 HE1 HIS 41 1HE HIS 41 -5.839 -7.200 2.225 270 HE2 HIS 41 2HE HIS 41 -4.462 -7.907 0.238 271 H ASP 42 H ASP 42 -2.748 -2.500 -2.701 272 HA ASP 42 HA ASP 42 -1.962 0.197 -2.654 273 HB2 ASP 42 1HB ASP 42 -1.529 -1.213 -4.586 274 HB3 ASP 42 2HB ASP 42 -3.257 -1.411 -4.866 275 H SER 43 H SER 43 -4.903 -1.119 -1.870 276 HA SER 43 HA SER 43 -6.356 1.329 -2.631 277 HB2 SER 43 1HB SER 43 -7.428 -0.548 -3.645 278 HB3 SER 43 2HB SER 43 -7.341 -1.487 -2.154 279 HG SER 43 HG SER 43 -8.858 0.886 -2.522 280 H CYS 44 H CYS 44 -4.886 -0.170 -0.078 281 HA CYS 44 HA CYS 44 -6.754 0.957 1.896 282 HB2 CYS 44 1HB CYS 44 -4.620 -1.166 2.167 283 HB3 CYS 44 2HB CYS 44 -5.488 -0.477 3.535 284 H ILE 45 H ILE 45 -3.436 0.978 0.772 285 HA ILE 45 HA ILE 45 -2.585 2.799 2.866 286 HB ILE 45 HB ILE 45 -1.179 0.935 1.632 287 HG12 ILE 45 1HG1 ILE 45 0.864 2.140 2.258 288 HG13 ILE 45 2HG1 ILE 45 -0.036 3.652 2.321 289 HG21 ILE 45 1HG2 ILE 45 -0.739 3.361 -0.103 290 HG22 ILE 45 2HG2 ILE 45 0.239 1.895 -0.131 291 HG23 ILE 45 3HG2 ILE 45 -1.458 1.831 -0.604 292 HD11 ILE 45 3HD1 ILE 45 0.475 2.464 4.518 293 HD12 ILE 45 1HD1 ILE 45 -1.175 3.025 4.252 294 HD13 ILE 45 2HD1 ILE 45 -0.780 1.319 4.043 295 H VAL 46 H VAL 46 -3.024 2.869 -0.659 296 HA VAL 46 HA VAL 46 -2.186 5.353 -1.333 297 HB VAL 46 HB VAL 46 -4.428 3.667 -2.291 298 HG11 VAL 46 1HG1 VAL 46 -4.259 6.618 -2.745 299 HG12 VAL 46 2HG1 VAL 46 -4.889 5.558 -4.007 300 HG13 VAL 46 3HG1 VAL 46 -5.673 5.614 -2.428 301 HG21 VAL 46 3HG2 VAL 46 -2.896 3.187 -3.826 302 HG22 VAL 46 1HG2 VAL 46 -2.865 4.875 -4.339 303 HG23 VAL 46 2HG2 VAL 46 -1.781 4.321 -3.063 304 HA PRO 47 HA PRO 47 -6.333 7.386 0.101 305 HB2 PRO 47 1HB PRO 47 -7.986 5.877 1.638 306 HB3 PRO 47 2HB PRO 47 -8.083 5.915 -0.127 307 HG2 PRO 47 1HG PRO 47 -6.785 3.891 1.656 308 HG3 PRO 47 2HG PRO 47 -7.785 3.634 0.214 309 HD2 PRO 47 1HD PRO 47 -5.082 3.484 0.158 310 HD3 PRO 47 2HD PRO 47 -6.035 4.052 -1.228 311 H TRP 48 H TRP 48 -4.376 5.345 2.051 312 HA TRP 48 HA TRP 48 -5.027 6.652 4.547 313 HB2 TRP 48 1HB TRP 48 -4.429 4.316 4.641 314 HB3 TRP 48 2HB TRP 48 -2.908 4.625 3.810 315 HD1 TRP 48 HD TRP 48 -0.873 5.450 5.253 316 HE1 TRP 48 1HE TRP 48 -0.488 5.702 7.786 317 HE3 TRP 48 3HE TRP 48 -5.699 4.946 6.863 318 HZ2 TRP 48 2HZ TRP 48 -2.026 5.689 10.152 319 HZ3 TRP 48 3HZ TRP 48 -6.157 5.078 9.277 320 HH2 TRP 48 HH TRP 48 -4.357 5.441 10.886 321 H LEU 49 H LEU 49 -2.045 6.342 2.608 322 HA LEU 49 HA LEU 49 -0.533 8.227 3.979 323 HB2 LEU 49 1HB LEU 49 -0.340 7.800 1.013 324 HB3 LEU 49 2HB LEU 49 0.945 8.222 2.142 325 HG LEU 49 HG LEU 49 -0.452 5.552 1.978 326 HD11 LEU 49 1HD1 LEU 49 0.914 5.625 0.104 327 HD12 LEU 49 2HD1 LEU 49 1.949 4.878 1.322 328 HD13 LEU 49 3HD1 LEU 49 2.151 6.583 0.919 329 HD21 LEU 49 3HD2 LEU 49 2.057 6.068 3.508 330 HD22 LEU 49 1HD2 LEU 49 0.835 4.817 3.735 331 HD23 LEU 49 2HD2 LEU 49 0.501 6.475 4.233 332 H GLU 50 H GLU 50 -2.996 8.651 1.542 333 HA GLU 50 HA GLU 50 -2.395 11.357 0.911 334 HB2 GLU 50 1HB GLU 50 -4.822 9.621 0.531 335 HB3 GLU 50 2HB GLU 50 -4.844 11.327 0.104 336 HG2 GLU 50 1HG GLU 50 -2.635 9.655 -0.955 337 HG3 GLU 50 2HG GLU 50 -4.242 9.451 -1.649 338 H GLN 51 H GLN 51 -3.428 10.025 3.738 339 HA GLN 51 HA GLN 51 -4.776 12.516 4.546 340 HB2 GLN 51 1HB GLN 51 -5.434 9.664 5.179 341 HB3 GLN 51 2HB GLN 51 -5.830 10.924 6.340 342 HG2 GLN 51 1HG GLN 51 -6.892 12.047 4.187 343 HG3 GLN 51 2HG GLN 51 -6.989 10.363 3.674 344 HE21 GLN 51 1HE2 GLN 51 -7.964 8.865 5.300 345 HE22 GLN 51 2HE2 GLN 51 -9.326 9.442 6.192 346 H HIS 52 H HIS 52 -2.744 9.810 5.582 347 HA HIS 52 HA HIS 52 -1.813 11.434 7.850 348 HB2 HIS 52 1HB HIS 52 -1.278 8.494 7.473 349 HB3 HIS 52 2HB HIS 52 -1.197 9.437 8.958 350 HD2 HIS 52 2HD HIS 52 -3.953 7.913 6.597 351 HE1 HIS 52 1HE HIS 52 -5.668 8.768 10.382 352 HE2 HIS 52 2HE HIS 52 -6.009 7.661 8.146 353 H ASP 53 H ASP 53 -0.834 9.844 4.918 354 HA ASP 53 HA ASP 53 1.107 9.844 3.732 355 HB2 ASP 53 1HB ASP 53 1.401 12.329 5.392 356 HB3 ASP 53 2HB ASP 53 2.711 11.804 4.338 357 H SER 54 H SER 54 0.947 8.188 6.053 358 HA SER 54 HA SER 54 3.772 7.676 6.420 359 HB2 SER 54 1HB SER 54 2.037 8.059 8.867 360 HB3 SER 54 2HB SER 54 3.772 7.749 8.822 361 HG SER 54 HG SER 54 3.646 9.846 7.452 362 H CYS 55 H CYS 55 3.907 5.721 8.122 363 HA CYS 55 HA CYS 55 2.354 3.617 6.908 364 HB2 CYS 55 1HB CYS 55 4.736 3.287 7.412 365 HB3 CYS 55 2HB CYS 55 4.408 3.511 9.128 366 HA PRO 56 HA PRO 56 -0.867 3.766 9.962 367 HB2 PRO 56 1HB PRO 56 -2.183 1.546 9.117 368 HB3 PRO 56 2HB PRO 56 -2.276 3.098 8.275 369 HG2 PRO 56 1HG PRO 56 -0.599 0.699 7.646 370 HG3 PRO 56 2HG PRO 56 -1.517 1.742 6.545 371 HD2 PRO 56 1HD PRO 56 1.159 1.978 6.882 372 HD3 PRO 56 2HD PRO 56 0.116 3.368 6.521 373 H VAL 57 H VAL 57 1.729 1.761 9.887 374 HA VAL 57 HA VAL 57 0.749 0.123 12.133 375 HB VAL 57 HB VAL 57 2.983 -0.465 10.187 376 HG11 VAL 57 1HG1 VAL 57 3.352 -1.168 12.605 377 HG12 VAL 57 2HG1 VAL 57 2.008 -2.286 12.369 378 HG13 VAL 57 3HG1 VAL 57 3.462 -2.432 11.381 379 HG21 VAL 57 3HG2 VAL 57 0.804 -2.390 10.533 380 HG22 VAL 57 1HG2 VAL 57 0.302 -0.842 9.851 381 HG23 VAL 57 2HG2 VAL 57 1.563 -1.787 9.059 382 H CYS 58 H CYS 58 3.856 1.379 10.899 383 HA CYS 58 HA CYS 58 4.664 1.884 13.679 384 HB2 CYS 58 1HB CYS 58 6.961 1.904 12.848 385 HB3 CYS 58 2HB CYS 58 6.148 0.419 12.366 386 H ARG 59 H ARG 59 3.648 3.440 10.851 387 HA ARG 59 HA ARG 59 3.501 5.619 10.212 388 HB2 ARG 59 1HB ARG 59 3.990 6.113 13.155 389 HB3 ARG 59 2HB ARG 59 3.389 7.304 12.009 390 HG2 ARG 59 1HG ARG 59 1.949 4.719 12.485 391 HG3 ARG 59 2HG ARG 59 1.696 6.131 13.513 392 HD2 ARG 59 1HD ARG 59 1.527 6.471 10.561 393 HD3 ARG 59 2HD ARG 59 0.191 5.675 11.392 394 HE ARG 59 HE ARG 59 0.915 8.463 11.531 395 HH11 ARG 59 1HH1 ARG 59 -0.799 5.840 13.050 396 HH12 ARG 59 2HH1 ARG 59 -1.873 6.878 13.927 397 HH21 ARG 59 1HH2 ARG 59 -0.494 9.840 12.681 398 HH22 ARG 59 2HH2 ARG 59 -1.700 9.153 13.716 399 H LYS 60 H LYS 60 5.913 4.544 9.635 400 HA LYS 60 HA LYS 60 8.076 6.146 10.639 401 HB2 LYS 60 1HB LYS 60 8.215 3.742 9.767 402 HB3 LYS 60 2HB LYS 60 8.139 4.441 8.155 403 HG2 LYS 60 1HG LYS 60 10.390 4.313 8.395 404 HG3 LYS 60 2HG LYS 60 10.126 5.913 9.093 405 HD2 LYS 60 1HD LYS 60 9.810 4.477 11.303 406 HD3 LYS 60 2HD LYS 60 10.837 3.348 10.416 407 HE2 LYS 60 1HE LYS 60 11.645 6.207 10.503 408 HE3 LYS 60 2HE LYS 60 11.845 5.246 11.967 409 HZ1 LYS 60 3HZ LYS 60 13.435 5.268 9.633 410 HZ2 LYS 60 1HZ LYS 60 12.817 3.712 9.876 411 HZ3 LYS 60 2HZ LYS 60 13.711 4.467 11.098 412 H SER 61 H SER 61 8.362 8.192 10.071 413 HA SER 61 HA SER 61 7.104 9.722 8.271 414 HB2 SER 61 1HB SER 61 8.677 10.794 9.676 415 HB3 SER 61 2HB SER 61 10.008 9.801 9.082 416 HG SER 61 HG SER 61 10.210 11.727 8.054 417 H LEU 62 H LEU 62 6.670 9.486 6.189 418 HA LEU 62 HA LEU 62 8.538 8.022 4.479 419 HB2 LEU 62 1HB LEU 62 5.764 8.978 3.806 420 HB3 LEU 62 2HB LEU 62 6.734 7.799 2.925 421 HG LEU 62 HG LEU 62 5.685 7.357 5.717 422 HD11 LEU 62 1HD1 LEU 62 3.857 6.203 4.849 423 HD12 LEU 62 2HD1 LEU 62 4.550 6.129 3.229 424 HD13 LEU 62 3HD1 LEU 62 3.942 7.660 3.859 425 HD21 LEU 62 3HD2 LEU 62 7.224 5.730 5.616 426 HD22 LEU 62 1HD2 LEU 62 7.400 5.869 3.867 427 HD23 LEU 62 2HD2 LEU 62 6.073 4.927 4.547 428 H THR 63 H THR 63 9.342 10.592 5.257 429 HA THR 63 HA THR 63 9.443 11.893 2.637 430 HB THR 63 HB THR 63 7.717 13.138 3.775 431 HG1 THR 63 1HG THR 63 8.590 15.005 3.227 432 HG21 THR 63 3HG2 THR 63 9.719 13.457 6.013 433 HG22 THR 63 1HG2 THR 63 8.215 12.540 6.075 434 HG23 THR 63 2HG2 THR 63 8.171 14.295 5.910 435 H GLY 64 H GLY 64 11.400 12.756 2.140 436 HA2 GLY 64 1HA GLY 64 13.385 13.952 3.168 437 HA3 GLY 64 2HA GLY 64 13.477 12.554 4.228 438 H GLN 65 H GLN 65 12.792 12.617 0.757 439 HA GLN 65 HA GLN 65 15.408 11.844 -0.036 440 HB2 GLN 65 1HB GLN 65 14.262 9.769 1.133 441 HB3 GLN 65 2HB GLN 65 13.464 9.611 -0.426 442 HG2 GLN 65 1HG GLN 65 15.516 8.242 -0.186 443 HG3 GLN 65 2HG GLN 65 15.547 9.356 -1.552 444 HE21 GLN 65 1HE2 GLN 65 16.786 8.703 1.644 445 HE22 GLN 65 2HE2 GLN 65 18.150 9.759 1.545 446 H ASN 66 H ASN 66 15.638 11.712 -2.289 447 HA ASN 66 HA ASN 66 13.817 13.246 -3.787 448 HB2 ASN 66 1HB ASN 66 16.295 12.923 -4.240 449 HB3 ASN 66 2HB ASN 66 15.876 11.363 -4.941 450 HD21 ASN 66 1HD2 ASN 66 15.970 11.497 -7.057 451 HD22 ASN 66 2HD2 ASN 66 15.358 12.790 -8.025 452 H THR 67 H THR 67 11.927 12.691 -4.620 453 HA THR 67 HA THR 67 11.550 10.106 -5.866 454 HB THR 67 HB THR 67 9.686 10.911 -3.629 455 HG1 THR 67 1HG THR 67 10.815 8.736 -2.899 456 HG21 THR 67 3HG2 THR 67 8.511 9.590 -5.194 457 HG22 THR 67 1HG2 THR 67 8.993 8.477 -3.914 458 HG23 THR 67 2HG2 THR 67 9.885 8.512 -5.435 459 H ALA 68 H ALA 68 10.386 10.370 -7.654 460 HA ALA 68 HA ALA 68 9.066 12.900 -8.142 461 HB1 ALA 68 3HB ALA 68 9.865 12.447 -10.169 462 HB2 ALA 68 1HB ALA 68 10.170 10.762 -9.747 463 HB3 ALA 68 2HB ALA 68 8.576 11.253 -10.323 464 H THR 69 H THR 69 7.789 11.530 -6.108 465 HA THR 69 HA THR 69 5.442 10.251 -7.277 466 HB THR 69 HB THR 69 6.532 9.282 -5.245 467 HG1 THR 69 1HG THR 69 3.917 9.743 -5.696 468 HG21 THR 69 3HG2 THR 69 5.889 10.425 -3.067 469 HG22 THR 69 1HG2 THR 69 5.558 11.861 -4.034 470 HG23 THR 69 2HG2 THR 69 7.184 11.181 -3.994 471 H ASN 70 H ASN 70 3.359 11.039 -7.102 472 HA ASN 70 HA ASN 70 3.009 13.816 -7.214 473 HB2 ASN 70 1HB ASN 70 0.988 11.615 -6.741 474 HB3 ASN 70 2HB ASN 70 0.566 13.290 -7.083 475 HD21 ASN 70 1HD2 ASN 70 0.308 13.850 -9.126 476 HD22 ASN 70 2HD2 ASN 70 0.829 12.937 -10.497 477 HA PRO 71 HA PRO 71 2.687 15.106 -3.028 478 HB2 PRO 71 1HB PRO 71 0.938 17.168 -3.273 479 HB3 PRO 71 2HB PRO 71 2.612 17.257 -3.832 480 HG2 PRO 71 1HG PRO 71 0.118 16.724 -5.399 481 HG3 PRO 71 2HG PRO 71 1.497 17.760 -5.810 482 HD2 PRO 71 1HD PRO 71 1.185 15.274 -6.838 483 HD3 PRO 71 2HD PRO 71 2.782 15.983 -6.520 484 HA PRO 72 HA PRO 72 -0.850 13.447 -1.012 485 HB2 PRO 72 1HB PRO 72 -1.271 15.186 1.029 486 HB3 PRO 72 2HB PRO 72 0.095 14.066 0.989 487 HG2 PRO 72 1HG PRO 72 0.008 16.973 0.280 488 HG3 PRO 72 2HG PRO 72 1.232 16.083 1.205 489 HD2 PRO 72 1HD PRO 72 1.565 16.735 -1.402 490 HD3 PRO 72 2HD PRO 72 2.246 15.257 -0.693 491 H GLY 73 H GLY 73 -2.429 13.713 -2.651 492 HA2 GLY 73 1HA GLY 73 -4.822 14.585 -2.306 493 HA3 GLY 73 2HA GLY 73 -4.059 16.160 -2.468 494 H LEU 74 H LEU 74 -5.546 13.622 -4.098 495 HA LEU 74 HA LEU 74 -4.517 14.569 -6.690 496 HB2 LEU 74 1HB LEU 74 -4.287 12.103 -5.952 497 HB3 LEU 74 2HB LEU 74 -6.012 12.001 -6.300 498 HG LEU 74 HG LEU 74 -5.391 12.868 -8.636 499 HD11 LEU 74 1HD1 LEU 74 -3.266 13.395 -8.984 500 HD12 LEU 74 2HD1 LEU 74 -2.857 11.691 -8.789 501 HD13 LEU 74 3HD1 LEU 74 -2.802 12.775 -7.399 502 HD21 LEU 74 3HD2 LEU 74 -5.625 10.748 -9.302 503 HD22 LEU 74 1HD2 LEU 74 -5.708 10.354 -7.585 504 HD23 LEU 74 2HD2 LEU 74 -4.174 10.223 -8.446 505 H THR 75 H THR 75 -7.489 13.238 -5.232 506 HA THR 75 HA THR 75 -9.082 14.697 -7.202 507 HB THR 75 HB THR 75 -10.998 13.415 -6.322 508 HG1 THR 75 1HG THR 75 -10.798 12.148 -4.592 509 HG21 THR 75 3HG2 THR 75 -10.427 11.346 -7.302 510 HG22 THR 75 1HG2 THR 75 -8.728 11.514 -6.860 511 HG23 THR 75 2HG2 THR 75 -9.418 12.539 -8.119 512 H GLY 76 H GLY 76 -8.955 14.248 -3.665 513 HA2 GLY 76 1HA GLY 76 -9.049 16.805 -2.813 514 HA3 GLY 76 2HA GLY 76 -10.725 16.499 -3.241 515 H VAL 77 H VAL 77 -8.079 15.511 -1.142 516 HA VAL 77 HA VAL 77 -9.687 13.733 0.430 517 HB VAL 77 HB VAL 77 -7.779 13.630 1.950 518 HG11 VAL 77 1HG1 VAL 77 -6.113 13.433 -0.328 519 HG12 VAL 77 2HG1 VAL 77 -6.962 12.140 0.522 520 HG13 VAL 77 3HG1 VAL 77 -7.743 12.975 -0.821 521 HG21 VAL 77 3HG2 VAL 77 -7.091 15.945 1.932 522 HG22 VAL 77 1HG2 VAL 77 -5.734 14.928 1.449 523 HG23 VAL 77 2HG2 VAL 77 -6.635 15.831 0.232 524 H GLY 78 H GLY 78 -10.142 14.036 2.720 525 HA2 GLY 78 1HA GLY 78 -11.686 16.192 3.337 526 HA3 GLY 78 2HA GLY 78 -10.847 15.243 4.555 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -2.173 -27.826 18.828 2 HA2 GLY 1 1HA GLY 1 -4.523 -26.765 17.642 3 HA3 GLY 1 2HA GLY 1 -2.945 -25.994 17.673 4 H SER 2 H SER 2 -1.711 -25.986 15.868 5 HA SER 2 HA SER 2 -2.461 -27.717 13.632 6 HB2 SER 2 1HB SER 2 -2.452 -25.810 12.062 7 HB3 SER 2 2HB SER 2 -3.725 -25.650 13.272 8 HG SER 2 HG SER 2 -2.813 -23.890 13.954 9 H SER 3 H SER 3 -0.849 -27.351 11.759 10 HA SER 3 HA SER 3 1.786 -26.479 12.569 11 HB2 SER 3 1HB SER 3 2.816 -28.712 12.030 12 HB3 SER 3 2HB SER 3 1.854 -28.692 13.508 13 HG SER 3 HG SER 3 0.473 -30.024 12.628 14 H GLY 4 H GLY 4 3.118 -26.022 10.848 15 HA2 GLY 4 1HA GLY 4 2.953 -27.007 8.260 16 HA3 GLY 4 2HA GLY 4 1.868 -25.626 8.328 17 H SER 5 H SER 5 5.033 -26.634 7.828 18 HA SER 5 HA SER 5 6.418 -24.300 8.695 19 HB2 SER 5 1HB SER 5 7.294 -26.724 8.090 20 HB3 SER 5 2HB SER 5 7.489 -26.011 6.489 21 HG SER 5 HG SER 5 8.976 -25.654 8.733 22 H SER 6 H SER 6 4.992 -22.676 7.780 23 HA SER 6 HA SER 6 4.376 -22.288 5.130 24 HB2 SER 6 1HB SER 6 4.969 -20.322 7.335 25 HB3 SER 6 2HB SER 6 4.499 -19.784 5.723 26 HG SER 6 HG SER 6 2.894 -20.467 7.637 27 H GLY 7 H GLY 7 5.682 -22.365 3.427 28 HA2 GLY 7 1HA GLY 7 8.449 -22.110 3.438 29 HA3 GLY 7 2HA GLY 7 7.435 -21.911 2.016 30 H THR 8 H THR 8 9.751 -20.469 2.269 31 HA THR 8 HA THR 8 8.816 -17.762 2.961 32 HB THR 8 HB THR 8 10.817 -18.585 4.218 33 HG1 THR 8 1HG THR 8 11.094 -16.490 4.260 34 HG21 THR 8 3HG2 THR 8 12.798 -19.150 3.212 35 HG22 THR 8 1HG2 THR 8 12.479 -18.170 1.782 36 HG23 THR 8 2HG2 THR 8 11.668 -19.723 1.985 37 H GLU 9 H GLU 9 8.230 -19.111 0.466 38 HA GLU 9 HA GLU 9 9.970 -18.201 -1.585 39 HB2 GLU 9 1HB GLU 9 8.057 -20.030 -1.578 40 HB3 GLU 9 2HB GLU 9 7.072 -18.678 -2.118 41 HG2 GLU 9 1HG GLU 9 7.817 -19.818 -4.050 42 HG3 GLU 9 2HG GLU 9 8.728 -18.313 -3.953 43 H GLU 10 H GLU 10 9.334 -16.649 -3.289 44 HA GLU 10 HA GLU 10 8.954 -14.094 -2.299 45 HB2 GLU 10 1HB GLU 10 8.486 -15.196 -5.069 46 HB3 GLU 10 2HB GLU 10 8.412 -13.481 -4.693 47 HG2 GLU 10 1HG GLU 10 10.560 -13.873 -5.561 48 HG3 GLU 10 2HG GLU 10 10.763 -13.686 -3.819 49 H HIS 11 H HIS 11 7.246 -12.952 -1.661 50 HA HIS 11 HA HIS 11 5.085 -12.639 -0.923 51 HB2 HIS 11 1HB HIS 11 5.368 -11.776 -3.396 52 HB3 HIS 11 2HB HIS 11 4.230 -13.071 -3.757 53 HD2 HIS 11 2HD HIS 11 3.599 -11.184 -0.445 54 HE1 HIS 11 1HE HIS 11 0.802 -9.766 -3.301 55 HE2 HIS 11 2HE HIS 11 1.533 -9.694 -0.892 56 H VAL 12 H VAL 12 5.837 -15.341 -0.626 57 HA VAL 12 HA VAL 12 4.040 -17.197 -1.697 58 HB VAL 12 HB VAL 12 6.077 -17.880 -0.532 59 HG11 VAL 12 1HG1 VAL 12 4.692 -16.674 1.839 60 HG12 VAL 12 2HG1 VAL 12 5.930 -17.916 2.032 61 HG13 VAL 12 3HG1 VAL 12 6.327 -16.388 1.246 62 HG21 VAL 12 3HG2 VAL 12 5.098 -19.849 -0.214 63 HG22 VAL 12 1HG2 VAL 12 4.343 -19.266 1.270 64 HG23 VAL 12 2HG2 VAL 12 3.526 -19.053 -0.278 65 H GLY 13 H GLY 13 3.740 -14.986 1.002 66 HA2 GLY 13 1HA GLY 13 1.539 -14.217 1.632 67 HA3 GLY 13 2HA GLY 13 0.927 -15.825 1.272 68 H SER 14 H SER 14 3.792 -14.949 3.157 69 HA SER 14 HA SER 14 2.749 -16.542 5.370 70 HB2 SER 14 1HB SER 14 5.490 -15.340 4.909 71 HB3 SER 14 2HB SER 14 5.050 -16.353 6.283 72 HG SER 14 HG SER 14 5.698 -17.886 4.980 73 H GLY 15 H GLY 15 1.434 -15.430 6.681 74 HA2 GLY 15 1HA GLY 15 0.548 -13.600 7.818 75 HA3 GLY 15 2HA GLY 15 2.122 -13.699 8.592 76 H LEU 16 H LEU 16 1.121 -12.623 5.350 77 HA LEU 16 HA LEU 16 2.477 -10.066 5.902 78 HB2 LEU 16 1HB LEU 16 2.561 -9.982 3.320 79 HB3 LEU 16 2HB LEU 16 3.711 -10.992 4.193 80 HG LEU 16 HG LEU 16 2.504 -12.980 3.610 81 HD11 LEU 16 1HD1 LEU 16 0.388 -11.049 2.891 82 HD12 LEU 16 2HD1 LEU 16 0.266 -12.661 3.593 83 HD13 LEU 16 3HD1 LEU 16 0.544 -12.472 1.861 84 HD21 LEU 16 3HD2 LEU 16 2.306 -12.007 0.941 85 HD22 LEU 16 1HD2 LEU 16 3.574 -12.994 1.669 86 HD23 LEU 16 2HD2 LEU 16 3.686 -11.234 1.724 87 H GLU 17 H GLU 17 -0.502 -11.430 5.589 88 HA GLU 17 HA GLU 17 -2.075 -10.025 3.921 89 HB2 GLU 17 1HB GLU 17 -3.874 -10.145 5.597 90 HB3 GLU 17 2HB GLU 17 -2.973 -11.651 5.493 91 HG2 GLU 17 1HG GLU 17 -1.707 -11.016 7.497 92 HG3 GLU 17 2HG GLU 17 -2.661 -9.538 7.612 93 H CYS 18 H CYS 18 -2.972 -8.012 3.736 94 HA CYS 18 HA CYS 18 -1.541 -5.797 4.609 95 HB2 CYS 18 1HB CYS 18 -2.877 -5.381 2.755 96 HB3 CYS 18 2HB CYS 18 -4.282 -6.171 3.463 97 HA PRO 19 HA PRO 19 -2.832 -5.479 8.840 98 HB2 PRO 19 1HB PRO 19 -1.682 -3.070 9.338 99 HB3 PRO 19 2HB PRO 19 -0.757 -4.573 9.234 100 HG2 PRO 19 1HG PRO 19 -1.149 -2.444 7.167 101 HG3 PRO 19 2HG PRO 19 0.331 -3.315 7.609 102 HD2 PRO 19 1HD PRO 19 -1.142 -3.958 5.430 103 HD3 PRO 19 2HD PRO 19 -0.237 -5.168 6.362 104 H VAL 20 H VAL 20 -3.367 -2.949 6.449 105 HA VAL 20 HA VAL 20 -5.004 -1.220 7.854 106 HB VAL 20 HB VAL 20 -5.544 -1.964 4.987 107 HG11 VAL 20 1HG1 VAL 20 -6.210 0.265 6.781 108 HG12 VAL 20 2HG1 VAL 20 -5.664 0.738 5.171 109 HG13 VAL 20 3HG1 VAL 20 -7.052 -0.336 5.353 110 HG21 VAL 20 3HG2 VAL 20 -3.739 0.201 5.091 111 HG22 VAL 20 1HG2 VAL 20 -3.066 -1.080 6.098 112 HG23 VAL 20 2HG2 VAL 20 -3.472 -1.405 4.413 113 H CYS 21 H CYS 21 -5.965 -4.090 5.979 114 HA CYS 21 HA CYS 21 -8.592 -3.985 7.302 115 HB2 CYS 21 1HB CYS 21 -9.279 -5.556 5.426 116 HB3 CYS 21 2HB CYS 21 -8.903 -3.903 4.951 117 H LYS 22 H LYS 22 -5.677 -5.746 7.045 118 HA LYS 22 HA LYS 22 -4.915 -7.639 8.049 119 HB2 LYS 22 1HB LYS 22 -7.468 -7.523 9.662 120 HB3 LYS 22 2HB LYS 22 -6.002 -8.401 10.078 121 HG2 LYS 22 1HG LYS 22 -5.783 -5.475 9.653 122 HG3 LYS 22 2HG LYS 22 -6.577 -6.043 11.123 123 HD2 LYS 22 1HD LYS 22 -4.624 -7.326 11.732 124 HD3 LYS 22 2HD LYS 22 -3.837 -6.914 10.206 125 HE2 LYS 22 1HE LYS 22 -3.409 -4.752 10.856 126 HE3 LYS 22 2HE LYS 22 -4.755 -4.714 11.994 127 HZ1 LYS 22 3HZ LYS 22 -2.344 -6.378 12.431 128 HZ2 LYS 22 1HZ LYS 22 -3.542 -5.967 13.552 129 HZ3 LYS 22 2HZ LYS 22 -2.467 -4.787 12.994 130 H GLU 23 H GLU 23 -6.301 -7.922 5.632 131 HA GLU 23 HA GLU 23 -7.863 -10.382 5.988 132 HB2 GLU 23 1HB GLU 23 -7.606 -8.501 3.639 133 HB3 GLU 23 2HB GLU 23 -8.487 -10.021 3.580 134 HG2 GLU 23 1HG GLU 23 -9.184 -8.095 5.725 135 HG3 GLU 23 2HG GLU 23 -9.683 -7.721 4.076 136 H ASP 24 H ASP 24 -6.025 -9.409 3.144 137 HA ASP 24 HA ASP 24 -3.764 -10.988 3.464 138 HB2 ASP 24 1HB ASP 24 -5.190 -12.928 3.564 139 HB3 ASP 24 2HB ASP 24 -6.052 -12.429 2.111 140 H TYR 25 H TYR 25 -2.720 -11.525 1.287 141 HA TYR 25 HA TYR 25 -3.254 -9.277 -0.518 142 HB2 TYR 25 1HB TYR 25 -0.821 -10.989 -0.039 143 HB3 TYR 25 2HB TYR 25 -0.951 -9.925 -1.435 144 HD1 TYR 25 1HD TYR 25 -2.307 -7.583 -0.225 145 HD2 TYR 25 2HD TYR 25 0.860 -10.009 1.254 146 HE1 TYR 25 1HE TYR 25 -1.504 -5.697 1.133 147 HE2 TYR 25 2HE TYR 25 1.671 -8.130 2.618 148 HH TYR 25 HH TYR 25 0.629 -6.013 3.640 149 H ALA 26 H ALA 26 -2.214 -10.023 -2.853 150 HA ALA 26 HA ALA 26 -3.036 -12.631 -3.700 151 HB1 ALA 26 3HB ALA 26 -4.620 -10.559 -5.096 152 HB2 ALA 26 1HB ALA 26 -5.017 -12.238 -4.728 153 HB3 ALA 26 2HB ALA 26 -5.142 -11.005 -3.472 154 H LEU 27 H LEU 27 -1.820 -13.196 -5.387 155 HA LEU 27 HA LEU 27 0.263 -11.885 -6.429 156 HB2 LEU 27 1HB LEU 27 -1.613 -13.603 -8.046 157 HB3 LEU 27 2HB LEU 27 0.054 -13.221 -8.471 158 HG LEU 27 HG LEU 27 -0.662 -14.699 -5.952 159 HD11 LEU 27 1HD1 LEU 27 -0.622 -16.728 -7.009 160 HD12 LEU 27 2HD1 LEU 27 0.305 -16.121 -8.381 161 HD13 LEU 27 3HD1 LEU 27 -1.411 -15.743 -8.241 162 HD21 LEU 27 3HD2 LEU 27 1.543 -14.880 -5.625 163 HD22 LEU 27 1HD2 LEU 27 1.680 -13.552 -6.777 164 HD23 LEU 27 2HD2 LEU 27 1.863 -15.218 -7.327 165 H GLY 28 H GLY 28 -3.053 -11.609 -7.673 166 HA2 GLY 28 1HA GLY 28 -2.273 -9.629 -9.633 167 HA3 GLY 28 2HA GLY 28 -3.905 -10.198 -9.313 168 H GLU 29 H GLU 29 -3.578 -9.646 -6.403 169 HA GLU 29 HA GLU 29 -4.722 -7.093 -6.340 170 HB2 GLU 29 1HB GLU 29 -3.664 -8.989 -4.311 171 HB3 GLU 29 2HB GLU 29 -3.890 -7.320 -3.808 172 HG2 GLU 29 1HG GLU 29 -6.119 -8.669 -5.229 173 HG3 GLU 29 2HG GLU 29 -5.796 -9.119 -3.556 174 H SER 30 H SER 30 -3.820 -5.181 -6.665 175 HA SER 30 HA SER 30 -1.032 -4.786 -6.873 176 HB2 SER 30 1HB SER 30 -2.748 -3.417 -8.058 177 HB3 SER 30 2HB SER 30 -3.173 -2.675 -6.516 178 HG SER 30 HG SER 30 -0.517 -2.553 -6.889 179 H VAL 31 H VAL 31 0.207 -5.101 -5.117 180 HA VAL 31 HA VAL 31 -0.607 -3.896 -2.568 181 HB VAL 31 HB VAL 31 1.573 -5.240 -1.851 182 HG11 VAL 31 1HG1 VAL 31 -1.141 -6.456 -2.352 183 HG12 VAL 31 2HG1 VAL 31 0.103 -7.158 -1.315 184 HG13 VAL 31 3HG1 VAL 31 -0.614 -5.600 -0.903 185 HG21 VAL 31 3HG2 VAL 31 1.876 -7.272 -3.100 186 HG22 VAL 31 1HG2 VAL 31 0.563 -6.843 -4.196 187 HG23 VAL 31 2HG2 VAL 31 2.056 -5.904 -4.199 188 H ARG 32 H ARG 32 0.834 -2.597 -1.366 189 HA ARG 32 HA ARG 32 3.028 -1.417 -2.941 190 HB2 ARG 32 1HB ARG 32 1.599 0.369 -2.939 191 HB3 ARG 32 2HB ARG 32 0.799 -0.134 -1.456 192 HG2 ARG 32 1HG ARG 32 2.258 0.980 -0.125 193 HG3 ARG 32 2HG ARG 32 3.612 0.758 -1.235 194 HD2 ARG 32 1HD ARG 32 2.609 2.428 -2.746 195 HD3 ARG 32 2HD ARG 32 1.310 2.677 -1.579 196 HE ARG 32 HE ARG 32 3.485 3.169 -0.096 197 HH11 ARG 32 1HH1 ARG 32 2.534 4.281 -3.256 198 HH12 ARG 32 2HH1 ARG 32 3.355 5.800 -3.111 199 HH21 ARG 32 1HH2 ARG 32 4.569 5.166 0.106 200 HH22 ARG 32 2HH2 ARG 32 4.512 6.302 -1.199 201 H GLN 33 H GLN 33 4.956 -1.198 -1.949 202 HA GLN 33 HA GLN 33 5.143 -2.163 0.816 203 HB2 GLN 33 1HB GLN 33 6.448 -3.315 -0.998 204 HB3 GLN 33 2HB GLN 33 7.378 -1.834 -1.190 205 HG2 GLN 33 1HG GLN 33 8.549 -2.154 0.715 206 HG3 GLN 33 2HG GLN 33 7.205 -2.940 1.541 207 HE21 GLN 33 1HE2 GLN 33 8.705 -4.513 2.281 208 HE22 GLN 33 2HE2 GLN 33 9.220 -5.795 1.245 209 H LEU 34 H LEU 34 6.069 -0.971 2.422 210 HA LEU 34 HA LEU 34 6.515 1.859 1.821 211 HB2 LEU 34 1HB LEU 34 5.853 0.336 4.312 212 HB3 LEU 34 2HB LEU 34 6.516 1.966 4.406 213 HG LEU 34 HG LEU 34 3.876 1.098 3.254 214 HD11 LEU 34 1HD1 LEU 34 2.922 2.461 4.921 215 HD12 LEU 34 2HD1 LEU 34 4.470 3.213 5.304 216 HD13 LEU 34 3HD1 LEU 34 4.180 1.527 5.731 217 HD21 LEU 34 3HD2 LEU 34 5.540 3.426 2.592 218 HD22 LEU 34 1HD2 LEU 34 3.873 3.800 3.029 219 HD23 LEU 34 2HD2 LEU 34 4.207 2.688 1.702 220 HA PRO 35 HA PRO 35 10.843 1.778 2.535 221 HB2 PRO 35 1HB PRO 35 11.252 4.072 3.929 222 HB3 PRO 35 2HB PRO 35 10.846 4.053 2.209 223 HG2 PRO 35 1HG PRO 35 9.067 4.525 4.570 224 HG3 PRO 35 2HG PRO 35 9.118 5.382 3.018 225 HD2 PRO 35 1HD PRO 35 7.266 3.487 3.575 226 HD3 PRO 35 2HD PRO 35 7.894 3.757 1.936 227 H CYS 36 H CYS 36 8.732 1.101 4.927 228 HA CYS 36 HA CYS 36 10.828 0.884 6.986 229 HB2 CYS 36 1HB CYS 36 8.844 0.645 8.572 230 HB3 CYS 36 2HB CYS 36 9.100 2.238 7.867 231 H ASN 37 H ASN 37 9.738 -0.919 4.660 232 HA ASN 37 HA ASN 37 9.796 -3.172 4.288 233 HB2 ASN 37 1HB ASN 37 10.068 -3.864 7.171 234 HB3 ASN 37 2HB ASN 37 10.879 -4.553 5.767 235 HD21 ASN 37 1HD2 ASN 37 11.713 -3.312 8.445 236 HD22 ASN 37 2HD2 ASN 37 12.994 -2.240 8.003 237 H HIS 38 H HIS 38 7.393 -1.686 4.894 238 HA HIS 38 HA HIS 38 5.715 -3.902 5.866 239 HB2 HIS 38 1HB HIS 38 5.461 -0.952 6.437 240 HB3 HIS 38 2HB HIS 38 4.117 -2.070 6.649 241 HD2 HIS 38 2HD HIS 38 5.612 -4.484 8.213 242 HE1 HIS 38 1HE HIS 38 6.869 -1.467 10.918 243 HE2 HIS 38 2HE HIS 38 6.631 -3.944 10.528 244 H LEU 39 H LEU 39 4.247 -4.583 4.453 245 HA LEU 39 HA LEU 39 3.773 -2.983 2.049 246 HB2 LEU 39 1HB LEU 39 3.500 -5.878 2.729 247 HB3 LEU 39 2HB LEU 39 2.589 -5.210 1.377 248 HG LEU 39 HG LEU 39 5.534 -4.762 1.479 249 HD11 LEU 39 1HD1 LEU 39 5.031 -7.098 -0.038 250 HD12 LEU 39 2HD1 LEU 39 4.370 -7.352 1.577 251 HD13 LEU 39 3HD1 LEU 39 6.065 -6.909 1.378 252 HD21 LEU 39 3HD2 LEU 39 4.420 -3.666 -0.287 253 HD22 LEU 39 1HD2 LEU 39 3.439 -5.085 -0.654 254 HD23 LEU 39 2HD2 LEU 39 5.167 -5.093 -1.008 255 H PHE 40 H PHE 40 1.617 -2.767 1.192 256 HA PHE 40 HA PHE 40 -0.639 -3.342 2.889 257 HB2 PHE 40 1HB PHE 40 -0.010 -0.446 2.297 258 HB3 PHE 40 2HB PHE 40 -1.346 -1.068 3.259 259 HD1 PHE 40 2HD PHE 40 2.362 -0.902 3.144 260 HD2 PHE 40 1HD PHE 40 -1.121 -1.317 5.555 261 HE1 PHE 40 2HE PHE 40 3.747 -0.729 5.170 262 HE2 PHE 40 1HE PHE 40 0.258 -1.144 7.584 263 HZ PHE 40 HZ PHE 40 2.696 -0.850 7.394 264 H HIS 41 H HIS 41 -2.586 -3.275 1.799 265 HA HIS 41 HA HIS 41 -2.613 -3.712 -0.923 266 HB2 HIS 41 1HB HIS 41 -4.771 -2.811 0.972 267 HB3 HIS 41 2HB HIS 41 -5.104 -3.087 -0.735 268 HD2 HIS 41 2HD HIS 41 -3.601 -5.904 -1.204 269 HE1 HIS 41 1HE HIS 41 -5.833 -7.264 2.138 270 HE2 HIS 41 2HE HIS 41 -4.416 -7.939 0.168 271 H ASP 42 H ASP 42 -2.694 -2.484 -2.714 272 HA ASP 42 HA ASP 42 -1.956 0.218 -2.639 273 HB2 ASP 42 1HB ASP 42 -1.504 -1.183 -4.579 274 HB3 ASP 42 2HB ASP 42 -3.230 -1.366 -4.879 275 H SER 43 H SER 43 -4.923 -1.169 -1.977 276 HA SER 43 HA SER 43 -6.387 1.276 -2.713 277 HB2 SER 43 1HB SER 43 -7.424 -0.634 -3.710 278 HB3 SER 43 2HB SER 43 -7.344 -1.545 -2.202 279 HG SER 43 HG SER 43 -9.428 -0.718 -2.522 280 H CYS 44 H CYS 44 -4.944 -0.246 -0.133 281 HA CYS 44 HA CYS 44 -6.816 0.908 1.820 282 HB2 CYS 44 1HB CYS 44 -4.671 -1.199 2.128 283 HB3 CYS 44 2HB CYS 44 -5.572 -0.515 3.477 284 H ILE 45 H ILE 45 -3.483 0.918 0.732 285 HA ILE 45 HA ILE 45 -2.645 2.748 2.818 286 HB ILE 45 HB ILE 45 -1.226 0.897 1.601 287 HG12 ILE 45 1HG1 ILE 45 0.820 2.166 2.155 288 HG13 ILE 45 2HG1 ILE 45 -0.134 3.642 2.261 289 HG21 ILE 45 1HG2 ILE 45 -1.545 1.762 -0.648 290 HG22 ILE 45 2HG2 ILE 45 -0.810 3.294 -0.179 291 HG23 ILE 45 3HG2 ILE 45 0.159 1.821 -0.199 292 HD11 ILE 45 3HD1 ILE 45 -1.215 2.933 4.206 293 HD12 ILE 45 1HD1 ILE 45 -0.721 1.256 3.975 294 HD13 ILE 45 2HD1 ILE 45 0.472 2.473 4.431 295 H VAL 46 H VAL 46 -3.113 2.827 -0.701 296 HA VAL 46 HA VAL 46 -2.276 5.294 -1.403 297 HB VAL 46 HB VAL 46 -4.600 3.664 -2.277 298 HG11 VAL 46 1HG1 VAL 46 -5.014 5.551 -4.013 299 HG12 VAL 46 2HG1 VAL 46 -5.766 5.658 -2.420 300 HG13 VAL 46 3HG1 VAL 46 -4.317 6.598 -2.777 301 HG21 VAL 46 3HG2 VAL 46 -3.390 3.394 -4.202 302 HG22 VAL 46 1HG2 VAL 46 -2.646 4.989 -4.088 303 HG23 VAL 46 2HG2 VAL 46 -2.080 3.676 -3.056 304 HA PRO 47 HA PRO 47 -6.342 7.393 0.168 305 HB2 PRO 47 1HB PRO 47 -7.951 5.917 1.781 306 HB3 PRO 47 2HB PRO 47 -8.117 5.942 0.022 307 HG2 PRO 47 1HG PRO 47 -6.774 3.915 1.768 308 HG3 PRO 47 2HG PRO 47 -7.833 3.661 0.369 309 HD2 PRO 47 1HD PRO 47 -5.137 3.476 0.207 310 HD3 PRO 47 2HD PRO 47 -6.138 4.046 -1.144 311 H TRP 48 H TRP 48 -4.402 5.285 2.097 312 HA TRP 48 HA TRP 48 -4.921 6.614 4.597 313 HB2 TRP 48 1HB TRP 48 -4.294 4.261 4.600 314 HB3 TRP 48 2HB TRP 48 -2.773 4.640 3.796 315 HD1 TRP 48 HD TRP 48 -0.763 5.345 5.296 316 HE1 TRP 48 1HE TRP 48 -0.423 5.593 7.836 317 HE3 TRP 48 3HE TRP 48 -5.634 4.985 6.808 318 HZ2 TRP 48 2HZ TRP 48 -2.009 5.630 10.170 319 HZ3 TRP 48 3HZ TRP 48 -6.137 5.136 9.212 320 HH2 TRP 48 HH TRP 48 -4.360 5.451 10.857 321 H LEU 49 H LEU 49 -1.990 6.310 2.578 322 HA LEU 49 HA LEU 49 -0.448 8.207 3.883 323 HB2 LEU 49 1HB LEU 49 -0.368 7.800 0.909 324 HB3 LEU 49 2HB LEU 49 0.958 8.220 1.991 325 HG LEU 49 HG LEU 49 -0.425 5.543 1.810 326 HD11 LEU 49 1HD1 LEU 49 2.336 6.443 1.002 327 HD12 LEU 49 2HD1 LEU 49 1.028 5.963 -0.079 328 HD13 LEU 49 3HD1 LEU 49 1.765 4.775 0.997 329 HD21 LEU 49 3HD2 LEU 49 0.588 6.513 4.077 330 HD22 LEU 49 1HD2 LEU 49 2.081 5.929 3.342 331 HD23 LEU 49 2HD2 LEU 49 0.739 4.816 3.617 332 H GLU 50 H GLU 50 -2.911 8.629 1.414 333 HA GLU 50 HA GLU 50 -2.364 11.384 0.926 334 HB2 GLU 50 1HB GLU 50 -4.732 9.616 0.338 335 HB3 GLU 50 2HB GLU 50 -4.717 11.326 -0.071 336 HG2 GLU 50 1HG GLU 50 -4.012 9.497 -1.812 337 HG3 GLU 50 2HG GLU 50 -3.200 11.061 -1.745 338 H GLN 51 H GLN 51 -3.343 9.979 3.671 339 HA GLN 51 HA GLN 51 -4.940 12.320 4.472 340 HB2 GLN 51 1HB GLN 51 -5.428 9.418 4.936 341 HB3 GLN 51 2HB GLN 51 -5.852 10.538 6.223 342 HG2 GLN 51 1HG GLN 51 -7.031 11.810 4.224 343 HG3 GLN 51 2HG GLN 51 -7.051 10.186 3.538 344 HE21 GLN 51 1HE2 GLN 51 -9.322 10.184 3.661 345 HE22 GLN 51 2HE2 GLN 51 -10.139 9.924 5.160 346 H HIS 52 H HIS 52 -2.592 9.872 5.388 347 HA HIS 52 HA HIS 52 -1.840 11.546 7.695 348 HB2 HIS 52 1HB HIS 52 -1.306 8.586 7.500 349 HB3 HIS 52 2HB HIS 52 -1.234 9.615 8.928 350 HD2 HIS 52 2HD HIS 52 -4.053 8.195 6.543 351 HE1 HIS 52 1HE HIS 52 -5.667 8.895 10.404 352 HE2 HIS 52 2HE HIS 52 -6.088 7.925 8.118 353 H ASP 53 H ASP 53 -0.817 9.897 4.836 354 HA ASP 53 HA ASP 53 1.152 9.828 3.698 355 HB2 ASP 53 1HB ASP 53 1.568 12.319 5.349 356 HB3 ASP 53 2HB ASP 53 2.735 11.775 4.148 357 H SER 54 H SER 54 0.979 8.128 5.900 358 HA SER 54 HA SER 54 3.775 7.649 6.393 359 HB2 SER 54 1HB SER 54 2.085 7.873 8.865 360 HB3 SER 54 2HB SER 54 3.841 7.908 8.713 361 HG SER 54 HG SER 54 1.993 9.934 7.998 362 H CYS 55 H CYS 55 3.908 5.689 8.046 363 HA CYS 55 HA CYS 55 2.366 3.588 6.835 364 HB2 CYS 55 1HB CYS 55 4.735 3.260 7.400 365 HB3 CYS 55 2HB CYS 55 4.364 3.492 9.105 366 HA PRO 56 HA PRO 56 -0.930 3.745 9.806 367 HB2 PRO 56 1HB PRO 56 -2.211 1.508 8.953 368 HB3 PRO 56 2HB PRO 56 -2.292 3.049 8.090 369 HG2 PRO 56 1HG PRO 56 -0.585 0.653 7.533 370 HG3 PRO 56 2HG PRO 56 -1.481 1.678 6.396 371 HD2 PRO 56 1HD PRO 56 1.185 1.933 6.798 372 HD3 PRO 56 2HD PRO 56 0.143 3.313 6.395 373 H VAL 57 H VAL 57 1.666 1.717 9.789 374 HA VAL 57 HA VAL 57 0.651 0.150 12.072 375 HB VAL 57 HB VAL 57 2.871 -0.557 10.148 376 HG11 VAL 57 1HG1 VAL 57 3.117 -1.234 12.615 377 HG12 VAL 57 2HG1 VAL 57 1.785 -2.347 12.295 378 HG13 VAL 57 3HG1 VAL 57 3.291 -2.487 11.387 379 HG21 VAL 57 3HG2 VAL 57 0.550 -2.333 10.513 380 HG22 VAL 57 1HG2 VAL 57 0.220 -0.801 9.705 381 HG23 VAL 57 2HG2 VAL 57 1.431 -1.901 9.048 382 H CYS 58 H CYS 58 3.897 0.969 10.858 383 HA CYS 58 HA CYS 58 4.734 1.565 13.584 384 HB2 CYS 58 1HB CYS 58 6.948 1.342 12.835 385 HB3 CYS 58 2HB CYS 58 6.064 0.134 11.909 386 H ARG 59 H ARG 59 3.594 3.219 10.879 387 HA ARG 59 HA ARG 59 3.550 5.408 10.241 388 HB2 ARG 59 1HB ARG 59 3.687 5.584 13.241 389 HB3 ARG 59 2HB ARG 59 3.564 7.028 12.245 390 HG2 ARG 59 1HG ARG 59 1.370 6.515 12.898 391 HG3 ARG 59 2HG ARG 59 1.500 5.979 11.222 392 HD2 ARG 59 1HD ARG 59 1.973 3.682 12.070 393 HD3 ARG 59 2HD ARG 59 1.642 4.268 13.699 394 HE ARG 59 HE ARG 59 -0.286 3.733 11.611 395 HH11 ARG 59 1HH1 ARG 59 0.353 5.294 14.657 396 HH12 ARG 59 2HH1 ARG 59 -1.316 5.371 15.116 397 HH21 ARG 59 1HH2 ARG 59 -2.486 3.829 12.204 398 HH22 ARG 59 2HH2 ARG 59 -2.930 4.536 13.720 399 H LYS 60 H LYS 60 5.921 4.514 9.587 400 HA LYS 60 HA LYS 60 8.047 6.040 10.819 401 HB2 LYS 60 1HB LYS 60 8.547 3.798 10.052 402 HB3 LYS 60 2HB LYS 60 8.010 4.196 8.425 403 HG2 LYS 60 1HG LYS 60 10.240 4.411 8.114 404 HG3 LYS 60 2HG LYS 60 9.896 6.049 8.673 405 HD2 LYS 60 1HD LYS 60 10.502 3.993 10.727 406 HD3 LYS 60 2HD LYS 60 11.838 4.565 9.725 407 HE2 LYS 60 1HE LYS 60 11.490 6.818 10.413 408 HE3 LYS 60 2HE LYS 60 9.965 6.408 11.195 409 HZ1 LYS 60 3HZ LYS 60 12.673 6.117 12.166 410 HZ2 LYS 60 1HZ LYS 60 11.675 4.784 12.462 411 HZ3 LYS 60 2HZ LYS 60 11.229 6.315 13.025 412 H SER 61 H SER 61 8.112 8.155 10.401 413 HA SER 61 HA SER 61 6.966 9.670 8.526 414 HB2 SER 61 1HB SER 61 8.773 10.244 10.380 415 HB3 SER 61 2HB SER 61 9.858 10.263 8.990 416 HG SER 61 HG SER 61 7.790 11.624 8.223 417 H LEU 62 H LEU 62 6.715 9.230 6.432 418 HA LEU 62 HA LEU 62 8.797 7.974 4.880 419 HB2 LEU 62 1HB LEU 62 6.232 9.144 3.839 420 HB3 LEU 62 2HB LEU 62 7.223 7.881 3.113 421 HG LEU 62 HG LEU 62 5.708 7.543 5.697 422 HD11 LEU 62 1HD1 LEU 62 4.815 7.411 2.909 423 HD12 LEU 62 2HD1 LEU 62 3.883 7.575 4.397 424 HD13 LEU 62 3HD1 LEU 62 4.433 5.984 3.872 425 HD21 LEU 62 3HD2 LEU 62 6.036 5.119 5.098 426 HD22 LEU 62 1HD2 LEU 62 7.497 5.993 5.560 427 HD23 LEU 62 2HD2 LEU 62 7.170 5.659 3.859 428 H THR 63 H THR 63 9.632 10.435 5.913 429 HA THR 63 HA THR 63 10.252 11.826 3.430 430 HB THR 63 HB THR 63 8.304 13.052 4.244 431 HG1 THR 63 1HG THR 63 10.852 14.254 4.353 432 HG21 THR 63 3HG2 THR 63 8.246 12.629 6.561 433 HG22 THR 63 1HG2 THR 63 8.605 14.349 6.424 434 HG23 THR 63 2HG2 THR 63 9.896 13.205 6.792 435 H GLY 64 H GLY 64 12.276 12.683 3.398 436 HA2 GLY 64 1HA GLY 64 13.726 13.305 5.796 437 HA3 GLY 64 2HA GLY 64 14.260 11.800 5.063 438 H GLN 65 H GLN 65 14.640 12.023 2.598 439 HA GLN 65 HA GLN 65 16.462 14.272 2.263 440 HB2 GLN 65 1HB GLN 65 16.037 11.788 0.595 441 HB3 GLN 65 2HB GLN 65 17.248 13.020 0.266 442 HG2 GLN 65 1HG GLN 65 18.439 11.367 1.363 443 HG3 GLN 65 2HG GLN 65 18.097 12.538 2.635 444 HE21 GLN 65 1HE2 GLN 65 18.458 10.823 4.133 445 HE22 GLN 65 2HE2 GLN 65 17.214 9.668 4.455 446 H ASN 66 H ASN 66 14.036 12.630 0.221 447 HA ASN 66 HA ASN 66 13.843 14.701 -1.670 448 HB2 ASN 66 1HB ASN 66 13.072 12.311 -1.960 449 HB3 ASN 66 2HB ASN 66 11.663 12.723 -0.987 450 HD21 ASN 66 1HD2 ASN 66 11.194 11.788 -3.424 451 HD22 ASN 66 2HD2 ASN 66 10.676 13.043 -4.493 452 H THR 67 H THR 67 13.013 16.663 -1.471 453 HA THR 67 HA THR 67 10.827 17.084 0.461 454 HB THR 67 HB THR 67 13.006 19.073 -0.201 455 HG1 THR 67 1HG THR 67 12.753 17.119 1.771 456 HG21 THR 67 3HG2 THR 67 11.985 20.566 1.214 457 HG22 THR 67 1HG2 THR 67 11.177 19.302 2.141 458 HG23 THR 67 2HG2 THR 67 10.568 19.754 0.549 459 H ALA 68 H ALA 68 9.037 17.389 -0.701 460 HA ALA 68 HA ALA 68 9.074 19.437 -2.793 461 HB1 ALA 68 3HB ALA 68 9.268 17.436 -4.068 462 HB2 ALA 68 1HB ALA 68 7.997 16.646 -3.135 463 HB3 ALA 68 2HB ALA 68 7.599 17.987 -4.209 464 H THR 69 H THR 69 6.812 20.066 -3.434 465 HA THR 69 HA THR 69 4.986 19.842 -1.130 466 HB THR 69 HB THR 69 5.324 22.277 -2.890 467 HG1 THR 69 1HG THR 69 6.405 21.560 -0.381 468 HG21 THR 69 3HG2 THR 69 3.138 21.532 -1.424 469 HG22 THR 69 1HG2 THR 69 3.558 23.192 -1.841 470 HG23 THR 69 2HG2 THR 69 4.027 22.530 -0.275 471 H ASN 70 H ASN 70 3.156 18.852 -1.639 472 HA ASN 70 HA ASN 70 1.652 19.546 -3.971 473 HB2 ASN 70 1HB ASN 70 1.584 17.159 -4.840 474 HB3 ASN 70 2HB ASN 70 3.079 18.043 -5.136 475 HD21 ASN 70 1HD2 ASN 70 1.561 15.750 -2.926 476 HD22 ASN 70 2HD2 ASN 70 3.016 14.916 -2.509 477 HA PRO 71 HA PRO 71 -1.578 18.336 -1.238 478 HB2 PRO 71 1HB PRO 71 -3.598 18.084 -3.035 479 HB3 PRO 71 2HB PRO 71 -2.956 19.650 -2.524 480 HG2 PRO 71 1HG PRO 71 -2.363 18.076 -5.000 481 HG3 PRO 71 2HG PRO 71 -2.650 19.817 -4.823 482 HD2 PRO 71 1HD PRO 71 -0.165 18.767 -5.061 483 HD3 PRO 71 2HD PRO 71 -0.498 20.227 -4.106 484 HA PRO 72 HA PRO 72 -1.378 13.885 -1.516 485 HB2 PRO 72 1HB PRO 72 -2.772 13.399 0.763 486 HB3 PRO 72 2HB PRO 72 -1.080 13.911 0.762 487 HG2 PRO 72 1HG PRO 72 -3.552 15.541 1.200 488 HG3 PRO 72 2HG PRO 72 -2.011 15.589 2.075 489 HD2 PRO 72 1HD PRO 72 -2.659 17.397 0.166 490 HD3 PRO 72 2HD PRO 72 -0.988 16.873 0.458 491 H GLY 73 H GLY 73 -2.728 13.702 -3.380 492 HA2 GLY 73 1HA GLY 73 -4.610 13.047 -4.520 493 HA3 GLY 73 2HA GLY 73 -5.097 12.289 -3.011 494 H LEU 74 H LEU 74 -7.082 13.174 -4.535 495 HA LEU 74 HA LEU 74 -7.934 15.669 -3.219 496 HB2 LEU 74 1HB LEU 74 -8.148 14.784 -6.046 497 HB3 LEU 74 2HB LEU 74 -9.484 15.714 -5.372 498 HG LEU 74 HG LEU 74 -7.568 17.373 -4.682 499 HD11 LEU 74 1HD1 LEU 74 -5.563 16.596 -5.321 500 HD12 LEU 74 2HD1 LEU 74 -6.032 17.204 -6.909 501 HD13 LEU 74 3HD1 LEU 74 -6.253 15.498 -6.517 502 HD21 LEU 74 3HD2 LEU 74 -7.905 17.709 -7.522 503 HD22 LEU 74 1HD2 LEU 74 -8.579 18.650 -6.191 504 HD23 LEU 74 2HD2 LEU 74 -9.419 17.209 -6.766 505 H THR 75 H THR 75 -8.348 13.184 -2.056 506 HA THR 75 HA THR 75 -11.226 12.725 -2.494 507 HB THR 75 HB THR 75 -9.181 10.827 -1.326 508 HG1 THR 75 1HG THR 75 -9.071 11.060 -3.619 509 HG21 THR 75 3HG2 THR 75 -11.648 9.593 -2.081 510 HG22 THR 75 1HG2 THR 75 -11.983 10.922 -0.972 511 HG23 THR 75 2HG2 THR 75 -10.872 9.636 -0.499 512 H GLY 76 H GLY 76 -12.055 14.235 -1.079 513 HA2 GLY 76 1HA GLY 76 -12.616 15.197 0.934 514 HA3 GLY 76 2HA GLY 76 -12.490 13.556 1.550 515 H VAL 77 H VAL 77 -10.238 16.117 0.498 516 HA VAL 77 HA VAL 77 -8.963 16.058 3.113 517 HB VAL 77 HB VAL 77 -7.708 14.350 1.945 518 HG11 VAL 77 1HG1 VAL 77 -6.322 15.221 -0.091 519 HG12 VAL 77 2HG1 VAL 77 -7.980 14.662 -0.322 520 HG13 VAL 77 3HG1 VAL 77 -7.635 16.390 -0.233 521 HG21 VAL 77 3HG2 VAL 77 -5.472 15.857 1.708 522 HG22 VAL 77 1HG2 VAL 77 -6.492 16.927 2.668 523 HG23 VAL 77 2HG2 VAL 77 -6.133 15.300 3.245 524 H GLY 78 H GLY 78 -8.108 17.994 3.691 525 HA2 GLY 78 1HA GLY 78 -6.923 20.035 2.982 526 HA3 GLY 78 2HA GLY 78 -8.007 20.081 1.600 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -9.003 -20.097 0.910 2 HA2 GLY 1 1HA GLY 1 -7.255 -21.213 -0.100 3 HA3 GLY 1 2HA GLY 1 -6.463 -19.661 -0.331 4 H SER 2 H SER 2 -7.060 -22.234 2.011 5 HA SER 2 HA SER 2 -5.325 -21.297 4.018 6 HB2 SER 2 1HB SER 2 -5.364 -23.643 4.845 7 HB3 SER 2 2HB SER 2 -6.975 -23.020 4.490 8 HG SER 2 HG SER 2 -5.550 -25.048 3.276 9 H SER 3 H SER 3 -3.371 -20.630 3.180 10 HA SER 3 HA SER 3 -1.691 -22.716 1.954 11 HB2 SER 3 1HB SER 3 -2.041 -20.761 0.510 12 HB3 SER 3 2HB SER 3 -1.424 -19.703 1.780 13 HG SER 3 HG SER 3 0.586 -20.531 1.506 14 H GLY 4 H GLY 4 -0.850 -23.659 3.785 15 HA2 GLY 4 1HA GLY 4 1.164 -22.068 5.177 16 HA3 GLY 4 2HA GLY 4 -0.093 -22.789 6.171 17 H SER 5 H SER 5 2.485 -23.539 3.870 18 HA SER 5 HA SER 5 2.874 -26.091 5.277 19 HB2 SER 5 1HB SER 5 3.416 -27.168 3.108 20 HB3 SER 5 2HB SER 5 1.745 -26.610 3.179 21 HG SER 5 HG SER 5 3.897 -25.216 1.958 22 H SER 6 H SER 6 5.011 -26.851 5.362 23 HA SER 6 HA SER 6 7.014 -25.157 5.930 24 HB2 SER 6 1HB SER 6 7.294 -27.821 4.521 25 HB3 SER 6 2HB SER 6 8.626 -26.960 5.290 26 HG SER 6 HG SER 6 6.392 -27.310 6.870 27 H GLY 7 H GLY 7 8.592 -23.988 4.912 28 HA2 GLY 7 1HA GLY 7 9.886 -23.244 3.094 29 HA3 GLY 7 2HA GLY 7 8.832 -24.135 2.007 30 H THR 8 H THR 8 9.802 -21.321 1.972 31 HA THR 8 HA THR 8 7.180 -20.083 1.562 32 HB THR 8 HB THR 8 8.029 -17.940 2.546 33 HG1 THR 8 1HG THR 8 10.260 -19.485 2.850 34 HG21 THR 8 3HG2 THR 8 6.732 -18.614 4.229 35 HG22 THR 8 1HG2 THR 8 8.155 -19.343 4.973 36 HG23 THR 8 2HG2 THR 8 7.123 -20.305 3.914 37 H GLU 9 H GLU 9 7.055 -18.988 -0.300 38 HA GLU 9 HA GLU 9 9.540 -18.583 -1.810 39 HB2 GLU 9 1HB GLU 9 6.665 -18.835 -2.687 40 HB3 GLU 9 2HB GLU 9 7.954 -18.336 -3.773 41 HG2 GLU 9 1HG GLU 9 8.275 -20.863 -2.239 42 HG3 GLU 9 2HG GLU 9 7.187 -20.837 -3.626 43 H GLU 10 H GLU 10 9.804 -16.634 -3.056 44 HA GLU 10 HA GLU 10 9.577 -14.293 -1.672 45 HB2 GLU 10 1HB GLU 10 9.585 -14.687 -4.667 46 HB3 GLU 10 2HB GLU 10 9.810 -13.131 -3.882 47 HG2 GLU 10 1HG GLU 10 11.578 -15.494 -3.336 48 HG3 GLU 10 2HG GLU 10 11.898 -14.333 -4.623 49 H HIS 11 H HIS 11 7.730 -13.607 -0.765 50 HA HIS 11 HA HIS 11 5.664 -12.671 -0.578 51 HB2 HIS 11 1HB HIS 11 6.576 -11.577 -2.814 52 HB3 HIS 11 2HB HIS 11 5.298 -12.548 -3.538 53 HD2 HIS 11 2HD HIS 11 3.089 -11.970 -1.066 54 HE1 HIS 11 1HE HIS 11 3.539 -7.956 -2.365 55 HE2 HIS 11 2HE HIS 11 2.160 -9.557 -0.994 56 H VAL 12 H VAL 12 5.753 -15.372 -0.373 57 HA VAL 12 HA VAL 12 3.824 -16.623 -2.109 58 HB VAL 12 HB VAL 12 5.623 -17.973 -1.202 59 HG11 VAL 12 1HG1 VAL 12 4.437 -17.356 1.502 60 HG12 VAL 12 2HG1 VAL 12 5.745 -18.499 1.191 61 HG13 VAL 12 3HG1 VAL 12 5.985 -16.778 0.887 62 HG21 VAL 12 3HG2 VAL 12 4.349 -19.819 -1.010 63 HG22 VAL 12 1HG2 VAL 12 3.396 -19.148 0.313 64 HG23 VAL 12 2HG2 VAL 12 3.019 -18.713 -1.354 65 H GLY 13 H GLY 13 3.890 -15.461 1.240 66 HA2 GLY 13 1HA GLY 13 1.585 -14.369 1.700 67 HA3 GLY 13 2HA GLY 13 1.009 -16.011 1.454 68 H SER 14 H SER 14 3.962 -14.963 3.099 69 HA SER 14 HA SER 14 3.170 -16.518 5.427 70 HB2 SER 14 1HB SER 14 5.524 -16.475 4.291 71 HB3 SER 14 2HB SER 14 5.750 -14.996 5.226 72 HG SER 14 HG SER 14 6.467 -16.863 6.352 73 H GLY 15 H GLY 15 1.705 -15.404 6.617 74 HA2 GLY 15 1HA GLY 15 0.736 -13.593 7.715 75 HA3 GLY 15 2HA GLY 15 2.291 -13.638 8.532 76 H LEU 16 H LEU 16 1.216 -12.569 5.304 77 HA LEU 16 HA LEU 16 2.569 -10.005 5.829 78 HB2 LEU 16 1HB LEU 16 2.574 -9.919 3.237 79 HB3 LEU 16 2HB LEU 16 3.776 -10.888 4.086 80 HG LEU 16 HG LEU 16 2.614 -12.915 3.548 81 HD11 LEU 16 1HD1 LEU 16 0.367 -12.652 3.594 82 HD12 LEU 16 2HD1 LEU 16 0.595 -12.488 1.853 83 HD13 LEU 16 3HD1 LEU 16 0.425 -11.050 2.859 84 HD21 LEU 16 3HD2 LEU 16 2.319 -11.958 0.879 85 HD22 LEU 16 1HD2 LEU 16 3.626 -12.916 1.576 86 HD23 LEU 16 2HD2 LEU 16 3.701 -11.154 1.624 87 H GLU 17 H GLU 17 -0.400 -11.406 5.572 88 HA GLU 17 HA GLU 17 -2.032 -10.019 3.952 89 HB2 GLU 17 1HB GLU 17 -3.778 -10.132 5.697 90 HB3 GLU 17 2HB GLU 17 -2.891 -11.641 5.533 91 HG2 GLU 17 1HG GLU 17 -1.471 -10.851 7.477 92 HG3 GLU 17 2HG GLU 17 -2.683 -9.593 7.715 93 H CYS 18 H CYS 18 -2.922 -8.012 3.760 94 HA CYS 18 HA CYS 18 -1.499 -5.783 4.603 95 HB2 CYS 18 1HB CYS 18 -2.879 -5.413 2.761 96 HB3 CYS 18 2HB CYS 18 -4.272 -6.169 3.528 97 HA PRO 19 HA PRO 19 -2.722 -5.461 8.855 98 HB2 PRO 19 1HB PRO 19 -1.569 -3.049 9.328 99 HB3 PRO 19 2HB PRO 19 -0.643 -4.550 9.214 100 HG2 PRO 19 1HG PRO 19 -1.072 -2.427 7.147 101 HG3 PRO 19 2HG PRO 19 0.416 -3.294 7.568 102 HD2 PRO 19 1HD PRO 19 -1.089 -3.946 5.414 103 HD3 PRO 19 2HD PRO 19 -0.167 -5.152 6.335 104 H VAL 20 H VAL 20 -3.294 -2.932 6.470 105 HA VAL 20 HA VAL 20 -4.914 -1.204 7.894 106 HB VAL 20 HB VAL 20 -5.490 -1.962 5.037 107 HG11 VAL 20 1HG1 VAL 20 -7.037 -0.373 5.511 108 HG12 VAL 20 2HG1 VAL 20 -6.078 0.330 6.814 109 HG13 VAL 20 3HG1 VAL 20 -5.690 0.700 5.134 110 HG21 VAL 20 3HG2 VAL 20 -3.459 -1.328 4.399 111 HG22 VAL 20 1HG2 VAL 20 -3.691 0.235 5.183 112 HG23 VAL 20 2HG2 VAL 20 -2.997 -1.112 6.087 113 H CYS 21 H CYS 21 -5.905 -4.077 6.038 114 HA CYS 21 HA CYS 21 -8.511 -3.970 7.401 115 HB2 CYS 21 1HB CYS 21 -9.205 -5.573 5.543 116 HB3 CYS 21 2HB CYS 21 -8.872 -3.912 5.064 117 H LYS 22 H LYS 22 -5.605 -5.758 7.068 118 HA LYS 22 HA LYS 22 -4.823 -7.632 8.094 119 HB2 LYS 22 1HB LYS 22 -7.358 -7.516 9.737 120 HB3 LYS 22 2HB LYS 22 -5.884 -8.388 10.139 121 HG2 LYS 22 1HG LYS 22 -5.680 -5.462 9.699 122 HG3 LYS 22 2HG LYS 22 -6.454 -6.027 11.181 123 HD2 LYS 22 1HD LYS 22 -4.487 -7.310 11.762 124 HD3 LYS 22 2HD LYS 22 -3.719 -6.879 10.232 125 HE2 LYS 22 1HE LYS 22 -3.332 -4.701 10.889 126 HE3 LYS 22 2HE LYS 22 -4.636 -4.717 12.075 127 HZ1 LYS 22 3HZ LYS 22 -2.153 -6.308 12.379 128 HZ2 LYS 22 1HZ LYS 22 -3.336 -6.004 13.550 129 HZ3 LYS 22 2HZ LYS 22 -2.336 -4.750 13.014 130 H GLU 23 H GLU 23 -6.237 -7.927 5.695 131 HA GLU 23 HA GLU 23 -7.787 -10.392 6.080 132 HB2 GLU 23 1HB GLU 23 -7.570 -8.515 3.723 133 HB3 GLU 23 2HB GLU 23 -8.444 -10.039 3.679 134 HG2 GLU 23 1HG GLU 23 -9.123 -8.116 5.831 135 HG3 GLU 23 2HG GLU 23 -9.643 -7.742 4.188 136 H ASP 24 H ASP 24 -5.997 -9.424 3.205 137 HA ASP 24 HA ASP 24 -3.722 -10.986 3.495 138 HB2 ASP 24 1HB ASP 24 -5.062 -12.955 3.629 139 HB3 ASP 24 2HB ASP 24 -6.053 -12.454 2.262 140 H TYR 25 H TYR 25 -2.708 -11.527 1.309 141 HA TYR 25 HA TYR 25 -3.293 -9.301 -0.507 142 HB2 TYR 25 1HB TYR 25 -0.838 -10.995 -0.072 143 HB3 TYR 25 2HB TYR 25 -1.002 -9.921 -1.456 144 HD1 TYR 25 1HD TYR 25 -2.357 -7.602 -0.194 145 HD2 TYR 25 2HD TYR 25 0.865 -10.011 1.191 146 HE1 TYR 25 1HE TYR 25 -1.543 -5.721 1.166 147 HE2 TYR 25 2HE TYR 25 1.687 -8.137 2.555 148 HH TYR 25 HH TYR 25 0.344 -5.910 3.624 149 H ALA 26 H ALA 26 -2.306 -10.045 -2.856 150 HA ALA 26 HA ALA 26 -3.066 -12.668 -3.684 151 HB1 ALA 26 3HB ALA 26 -5.254 -11.266 -3.333 152 HB2 ALA 26 1HB ALA 26 -4.819 -10.590 -4.903 153 HB3 ALA 26 2HB ALA 26 -5.079 -12.326 -4.731 154 H LEU 27 H LEU 27 -1.943 -13.172 -5.458 155 HA LEU 27 HA LEU 27 0.047 -11.783 -6.576 156 HB2 LEU 27 1HB LEU 27 -1.843 -13.466 -8.211 157 HB3 LEU 27 2HB LEU 27 -0.155 -13.115 -8.579 158 HG LEU 27 HG LEU 27 0.192 -14.308 -6.221 159 HD11 LEU 27 1HD1 LEU 27 -2.547 -14.946 -7.008 160 HD12 LEU 27 2HD1 LEU 27 -1.743 -15.116 -5.448 161 HD13 LEU 27 3HD1 LEU 27 -1.549 -16.363 -6.680 162 HD21 LEU 27 3HD2 LEU 27 0.370 -16.479 -7.583 163 HD22 LEU 27 1HD2 LEU 27 1.363 -15.106 -8.072 164 HD23 LEU 27 2HD2 LEU 27 -0.112 -15.488 -8.961 165 H GLY 28 H GLY 28 -3.316 -11.631 -7.733 166 HA2 GLY 28 1HA GLY 28 -2.712 -9.597 -9.675 167 HA3 GLY 28 2HA GLY 28 -4.310 -10.184 -9.240 168 H GLU 29 H GLU 29 -3.827 -9.644 -6.367 169 HA GLU 29 HA GLU 29 -4.922 -7.054 -6.258 170 HB2 GLU 29 1HB GLU 29 -3.831 -8.962 -4.227 171 HB3 GLU 29 2HB GLU 29 -4.193 -7.311 -3.745 172 HG2 GLU 29 1HG GLU 29 -6.489 -7.563 -4.341 173 HG3 GLU 29 2HG GLU 29 -6.178 -9.135 -5.076 174 H SER 30 H SER 30 -3.929 -5.196 -6.628 175 HA SER 30 HA SER 30 -1.132 -4.904 -6.808 176 HB2 SER 30 1HB SER 30 -2.750 -3.460 -8.008 177 HB3 SER 30 2HB SER 30 -3.218 -2.735 -6.470 178 HG SER 30 HG SER 30 -1.627 -1.417 -6.812 179 H VAL 31 H VAL 31 0.214 -5.049 -5.143 180 HA VAL 31 HA VAL 31 -0.605 -3.922 -2.550 181 HB VAL 31 HB VAL 31 1.574 -5.289 -1.865 182 HG11 VAL 31 1HG1 VAL 31 -1.165 -6.464 -2.323 183 HG12 VAL 31 2HG1 VAL 31 0.087 -7.195 -1.316 184 HG13 VAL 31 3HG1 VAL 31 -0.596 -5.628 -0.878 185 HG21 VAL 31 3HG2 VAL 31 1.750 -7.371 -3.123 186 HG22 VAL 31 1HG2 VAL 31 0.523 -6.801 -4.255 187 HG23 VAL 31 2HG2 VAL 31 2.083 -5.984 -4.160 188 H ARG 32 H ARG 32 0.832 -2.614 -1.373 189 HA ARG 32 HA ARG 32 3.038 -1.464 -2.953 190 HB2 ARG 32 1HB ARG 32 1.626 0.335 -2.957 191 HB3 ARG 32 2HB ARG 32 0.822 -0.156 -1.472 192 HG2 ARG 32 1HG ARG 32 2.301 0.938 -0.142 193 HG3 ARG 32 2HG ARG 32 3.643 0.722 -1.267 194 HD2 ARG 32 1HD ARG 32 2.619 2.399 -2.760 195 HD3 ARG 32 2HD ARG 32 1.339 2.644 -1.573 196 HE ARG 32 HE ARG 32 3.704 3.058 -0.224 197 HH11 ARG 32 1HH1 ARG 32 2.082 4.442 -2.976 198 HH12 ARG 32 2HH1 ARG 32 2.758 6.020 -2.745 199 HH21 ARG 32 1HH2 ARG 32 4.600 5.131 0.091 200 HH22 ARG 32 2HH2 ARG 32 4.191 6.411 -1.001 201 H GLN 33 H GLN 33 4.963 -1.181 -1.947 202 HA GLN 33 HA GLN 33 5.149 -2.154 0.818 203 HB2 GLN 33 1HB GLN 33 6.440 -3.339 -0.983 204 HB3 GLN 33 2HB GLN 33 7.381 -1.869 -1.196 205 HG2 GLN 33 1HG GLN 33 8.558 -2.177 0.706 206 HG3 GLN 33 2HG GLN 33 7.209 -2.935 1.550 207 HE21 GLN 33 1HE2 GLN 33 8.723 -4.500 2.304 208 HE22 GLN 33 2HE2 GLN 33 9.208 -5.809 1.286 209 H LEU 34 H LEU 34 6.132 -0.968 2.405 210 HA LEU 34 HA LEU 34 6.588 1.856 1.776 211 HB2 LEU 34 1HB LEU 34 5.951 0.371 4.301 212 HB3 LEU 34 2HB LEU 34 6.588 2.013 4.346 213 HG LEU 34 HG LEU 34 3.977 1.110 3.136 214 HD11 LEU 34 1HD1 LEU 34 4.419 3.086 5.352 215 HD12 LEU 34 2HD1 LEU 34 4.220 1.361 5.658 216 HD13 LEU 34 3HD1 LEU 34 2.927 2.274 4.879 217 HD21 LEU 34 3HD2 LEU 34 4.116 2.876 1.794 218 HD22 LEU 34 1HD2 LEU 34 5.620 3.406 2.548 219 HD23 LEU 34 2HD2 LEU 34 4.071 3.896 3.233 220 HA PRO 35 HA PRO 35 10.919 1.736 2.468 221 HB2 PRO 35 1HB PRO 35 11.359 4.041 3.833 222 HB3 PRO 35 2HB PRO 35 10.944 4.007 2.115 223 HG2 PRO 35 1HG PRO 35 9.182 4.525 4.480 224 HG3 PRO 35 2HG PRO 35 9.235 5.364 2.918 225 HD2 PRO 35 1HD PRO 35 7.366 3.495 3.506 226 HD3 PRO 35 2HD PRO 35 7.988 3.739 1.861 227 H CYS 36 H CYS 36 8.811 1.119 4.882 228 HA CYS 36 HA CYS 36 10.912 0.907 6.935 229 HB2 CYS 36 1HB CYS 36 9.000 0.755 8.559 230 HB3 CYS 36 2HB CYS 36 9.132 2.302 7.729 231 H ASN 37 H ASN 37 9.771 -0.913 4.630 232 HA ASN 37 HA ASN 37 9.828 -3.171 4.281 233 HB2 ASN 37 1HB ASN 37 10.129 -3.820 7.174 234 HB3 ASN 37 2HB ASN 37 10.906 -4.550 5.772 235 HD21 ASN 37 1HD2 ASN 37 11.622 -3.007 8.443 236 HD22 ASN 37 2HD2 ASN 37 12.981 -2.063 7.943 237 H HIS 38 H HIS 38 7.430 -1.724 4.786 238 HA HIS 38 HA HIS 38 5.754 -3.910 5.818 239 HB2 HIS 38 1HB HIS 38 5.540 -0.964 6.416 240 HB3 HIS 38 2HB HIS 38 4.166 -2.051 6.598 241 HD2 HIS 38 2HD HIS 38 5.680 -4.530 8.107 242 HE1 HIS 38 1HE HIS 38 6.816 -1.574 10.930 243 HE2 HIS 38 2HE HIS 38 6.637 -4.042 10.459 244 H LEU 39 H LEU 39 4.264 -4.577 4.419 245 HA LEU 39 HA LEU 39 3.784 -2.970 2.020 246 HB2 LEU 39 1HB LEU 39 3.469 -5.866 2.696 247 HB3 LEU 39 2HB LEU 39 2.596 -5.175 1.330 248 HG LEU 39 HG LEU 39 5.538 -4.758 1.467 249 HD11 LEU 39 1HD1 LEU 39 4.496 -7.317 1.754 250 HD12 LEU 39 2HD1 LEU 39 6.128 -6.887 1.244 251 HD13 LEU 39 3HD1 LEU 39 4.876 -7.177 0.038 252 HD21 LEU 39 3HD2 LEU 39 4.388 -3.707 -0.328 253 HD22 LEU 39 1HD2 LEU 39 3.499 -5.182 -0.707 254 HD23 LEU 39 2HD2 LEU 39 5.236 -5.099 -1.003 255 H PHE 40 H PHE 40 1.614 -2.773 1.169 256 HA PHE 40 HA PHE 40 -0.627 -3.322 2.892 257 HB2 PHE 40 1HB PHE 40 0.010 -0.432 2.280 258 HB3 PHE 40 2HB PHE 40 -1.323 -1.043 3.254 259 HD1 PHE 40 2HD PHE 40 2.385 -0.893 3.114 260 HD2 PHE 40 1HD PHE 40 -1.084 -1.284 5.549 261 HE1 PHE 40 2HE PHE 40 3.784 -0.716 5.130 262 HE2 PHE 40 1HE PHE 40 0.309 -1.107 7.569 263 HZ PHE 40 HZ PHE 40 2.747 -0.824 7.361 264 H HIS 41 H HIS 41 -2.581 -3.260 1.817 265 HA HIS 41 HA HIS 41 -2.632 -3.706 -0.903 266 HB2 HIS 41 1HB HIS 41 -4.773 -2.797 1.008 267 HB3 HIS 41 2HB HIS 41 -5.122 -3.077 -0.695 268 HD2 HIS 41 2HD HIS 41 -3.606 -5.897 -1.157 269 HE1 HIS 41 1HE HIS 41 -5.845 -7.245 2.185 270 HE2 HIS 41 2HE HIS 41 -4.423 -7.928 0.221 271 H ASP 42 H ASP 42 -2.723 -2.484 -2.697 272 HA ASP 42 HA ASP 42 -1.985 0.218 -2.637 273 HB2 ASP 42 1HB ASP 42 -1.533 -1.163 -4.579 274 HB3 ASP 42 2HB ASP 42 -3.256 -1.399 -4.855 275 H SER 43 H SER 43 -4.933 -1.148 -1.908 276 HA SER 43 HA SER 43 -6.401 1.296 -2.644 277 HB2 SER 43 1HB SER 43 -7.424 -0.629 -3.655 278 HB3 SER 43 2HB SER 43 -7.385 -1.517 -2.132 279 HG SER 43 HG SER 43 -8.979 0.718 -2.818 280 H CYS 44 H CYS 44 -4.921 -0.197 -0.091 281 HA CYS 44 HA CYS 44 -6.796 0.923 1.881 282 HB2 CYS 44 1HB CYS 44 -4.659 -1.196 2.160 283 HB3 CYS 44 2HB CYS 44 -5.542 -0.514 3.522 284 H ILE 45 H ILE 45 -3.483 0.958 0.753 285 HA ILE 45 HA ILE 45 -2.634 2.772 2.855 286 HB ILE 45 HB ILE 45 -1.225 0.910 1.620 287 HG12 ILE 45 1HG1 ILE 45 0.819 2.126 2.245 288 HG13 ILE 45 2HG1 ILE 45 -0.096 3.627 2.330 289 HG21 ILE 45 1HG2 ILE 45 -1.502 1.816 -0.614 290 HG22 ILE 45 2HG2 ILE 45 -0.779 3.341 -0.106 291 HG23 ILE 45 3HG2 ILE 45 0.195 1.871 -0.139 292 HD11 ILE 45 3HD1 ILE 45 0.429 2.437 4.512 293 HD12 ILE 45 1HD1 ILE 45 -1.237 2.951 4.251 294 HD13 ILE 45 2HD1 ILE 45 -0.791 1.259 4.027 295 H VAL 46 H VAL 46 -3.071 2.846 -0.670 296 HA VAL 46 HA VAL 46 -2.230 5.319 -1.357 297 HB VAL 46 HB VAL 46 -4.522 3.670 -2.275 298 HG11 VAL 46 1HG1 VAL 46 -4.936 5.554 -4.011 299 HG12 VAL 46 2HG1 VAL 46 -5.708 5.653 -2.427 300 HG13 VAL 46 3HG1 VAL 46 -4.265 6.609 -2.767 301 HG21 VAL 46 3HG2 VAL 46 -1.940 3.842 -3.009 302 HG22 VAL 46 1HG2 VAL 46 -3.229 3.326 -4.096 303 HG23 VAL 46 2HG2 VAL 46 -2.654 4.993 -4.138 304 HA PRO 47 HA PRO 47 -6.334 7.402 0.127 305 HB2 PRO 47 1HB PRO 47 -7.989 5.913 1.681 306 HB3 PRO 47 2HB PRO 47 -8.105 5.953 -0.082 307 HG2 PRO 47 1HG PRO 47 -6.813 3.911 1.685 308 HG3 PRO 47 2HG PRO 47 -7.832 3.668 0.254 309 HD2 PRO 47 1HD PRO 47 -5.132 3.484 0.168 310 HD3 PRO 47 2HD PRO 47 -6.093 4.065 -1.207 311 H TRP 48 H TRP 48 -4.373 5.343 2.050 312 HA TRP 48 HA TRP 48 -4.985 6.640 4.559 313 HB2 TRP 48 1HB TRP 48 -4.389 4.303 4.634 314 HB3 TRP 48 2HB TRP 48 -2.879 4.615 3.782 315 HD1 TRP 48 HD TRP 48 -0.813 5.340 5.208 316 HE1 TRP 48 1HE TRP 48 -0.395 5.614 7.733 317 HE3 TRP 48 3HE TRP 48 -5.640 5.051 6.866 318 HZ2 TRP 48 2HZ TRP 48 -1.911 5.697 10.112 319 HZ3 TRP 48 3HZ TRP 48 -6.071 5.236 9.281 320 HH2 TRP 48 HH TRP 48 -4.243 5.552 10.869 321 H LEU 49 H LEU 49 -2.008 6.317 2.614 322 HA LEU 49 HA LEU 49 -0.494 8.210 3.967 323 HB2 LEU 49 1HB LEU 49 -0.305 7.782 1.002 324 HB3 LEU 49 2HB LEU 49 0.983 8.188 2.133 325 HG LEU 49 HG LEU 49 -0.431 5.530 1.925 326 HD11 LEU 49 1HD1 LEU 49 1.988 4.850 1.340 327 HD12 LEU 49 2HD1 LEU 49 2.209 6.558 0.959 328 HD13 LEU 49 3HD1 LEU 49 0.995 5.613 0.098 329 HD21 LEU 49 3HD2 LEU 49 2.040 5.947 3.522 330 HD22 LEU 49 1HD2 LEU 49 0.733 4.783 3.740 331 HD23 LEU 49 2HD2 LEU 49 0.502 6.467 4.213 332 H GLU 50 H GLU 50 -2.989 8.629 1.572 333 HA GLU 50 HA GLU 50 -2.378 11.337 0.925 334 HB2 GLU 50 1HB GLU 50 -4.802 9.598 0.534 335 HB3 GLU 50 2HB GLU 50 -4.819 11.302 0.101 336 HG2 GLU 50 1HG GLU 50 -2.757 10.799 -1.302 337 HG3 GLU 50 2HG GLU 50 -3.157 9.099 -1.068 338 H GLN 51 H GLN 51 -3.354 10.030 3.760 339 HA GLN 51 HA GLN 51 -4.721 12.511 4.565 340 HB2 GLN 51 1HB GLN 51 -5.414 9.662 5.177 341 HB3 GLN 51 2HB GLN 51 -5.811 10.922 6.338 342 HG2 GLN 51 1HG GLN 51 -6.613 11.327 3.510 343 HG3 GLN 51 2HG GLN 51 -7.507 10.151 4.472 344 HE21 GLN 51 1HE2 GLN 51 -9.380 11.152 4.844 345 HE22 GLN 51 2HE2 GLN 51 -9.549 12.696 5.600 346 H HIS 52 H HIS 52 -2.775 9.750 5.642 347 HA HIS 52 HA HIS 52 -1.848 11.339 7.931 348 HB2 HIS 52 1HB HIS 52 -1.326 8.406 7.465 349 HB3 HIS 52 2HB HIS 52 -1.193 9.304 8.974 350 HD2 HIS 52 2HD HIS 52 -3.976 7.745 6.698 351 HE1 HIS 52 1HE HIS 52 -5.679 8.771 10.446 352 HE2 HIS 52 2HE HIS 52 -6.026 7.561 8.265 353 H ASP 53 H ASP 53 -0.808 9.780 4.993 354 HA ASP 53 HA ASP 53 1.144 9.837 3.825 355 HB2 ASP 53 1HB ASP 53 1.950 12.138 5.606 356 HB3 ASP 53 2HB ASP 53 2.496 11.802 3.965 357 H SER 54 H SER 54 0.937 8.206 6.219 358 HA SER 54 HA SER 54 3.768 7.670 6.573 359 HB2 SER 54 1HB SER 54 2.019 8.006 9.014 360 HB3 SER 54 2HB SER 54 3.762 7.744 8.965 361 HG SER 54 HG SER 54 2.969 9.979 9.305 362 H CYS 55 H CYS 55 3.898 5.698 8.246 363 HA CYS 55 HA CYS 55 2.331 3.611 7.014 364 HB2 CYS 55 1HB CYS 55 4.728 3.284 7.477 365 HB3 CYS 55 2HB CYS 55 4.417 3.458 9.201 366 HA PRO 56 HA PRO 56 -0.832 3.727 10.133 367 HB2 PRO 56 1HB PRO 56 -2.184 1.540 9.262 368 HB3 PRO 56 2HB PRO 56 -2.280 3.112 8.459 369 HG2 PRO 56 1HG PRO 56 -0.638 0.714 7.741 370 HG3 PRO 56 2HG PRO 56 -1.568 1.791 6.683 371 HD2 PRO 56 1HD PRO 56 1.116 1.994 6.971 372 HD3 PRO 56 2HD PRO 56 0.080 3.402 6.664 373 H VAL 57 H VAL 57 1.746 1.709 9.965 374 HA VAL 57 HA VAL 57 0.792 0.015 12.181 375 HB VAL 57 HB VAL 57 3.008 -0.521 10.198 376 HG11 VAL 57 1HG1 VAL 57 3.364 -1.296 12.610 377 HG12 VAL 57 2HG1 VAL 57 2.041 -2.425 12.309 378 HG13 VAL 57 3HG1 VAL 57 3.510 -2.505 11.335 379 HG21 VAL 57 3HG2 VAL 57 0.297 -0.905 9.921 380 HG22 VAL 57 1HG2 VAL 57 1.558 -1.747 9.021 381 HG23 VAL 57 2HG2 VAL 57 0.869 -2.480 10.470 382 H CYS 58 H CYS 58 3.904 1.263 10.952 383 HA CYS 58 HA CYS 58 4.712 1.747 13.737 384 HB2 CYS 58 1HB CYS 58 7.012 1.680 12.939 385 HB3 CYS 58 2HB CYS 58 6.158 0.226 12.432 386 H ARG 59 H ARG 59 3.699 3.317 10.938 387 HA ARG 59 HA ARG 59 3.598 5.496 10.293 388 HB2 ARG 59 1HB ARG 59 4.204 5.957 13.219 389 HB3 ARG 59 2HB ARG 59 3.666 7.200 12.098 390 HG2 ARG 59 1HG ARG 59 2.083 4.716 12.699 391 HG3 ARG 59 2HG ARG 59 1.887 6.238 13.570 392 HD2 ARG 59 1HD ARG 59 1.778 6.318 10.606 393 HD3 ARG 59 2HD ARG 59 0.407 5.607 11.455 394 HE ARG 59 HE ARG 59 1.167 8.387 11.397 395 HH11 ARG 59 1HH1 ARG 59 -0.611 5.914 13.085 396 HH12 ARG 59 2HH1 ARG 59 -1.687 7.032 13.856 397 HH21 ARG 59 1HH2 ARG 59 -0.245 9.868 12.406 398 HH22 ARG 59 2HH2 ARG 59 -1.479 9.280 13.468 399 H LYS 60 H LYS 60 6.014 4.228 9.784 400 HA LYS 60 HA LYS 60 8.273 5.701 10.644 401 HB2 LYS 60 1HB LYS 60 7.706 3.660 8.569 402 HB3 LYS 60 2HB LYS 60 9.129 4.661 8.314 403 HG2 LYS 60 1HG LYS 60 8.836 3.523 11.014 404 HG3 LYS 60 2HG LYS 60 9.136 2.367 9.713 405 HD2 LYS 60 1HD LYS 60 10.800 4.844 10.107 406 HD3 LYS 60 2HD LYS 60 11.181 3.305 10.883 407 HE2 LYS 60 1HE LYS 60 11.488 2.233 8.781 408 HE3 LYS 60 2HE LYS 60 10.820 3.612 7.909 409 HZ1 LYS 60 3HZ LYS 60 13.318 3.717 9.509 410 HZ2 LYS 60 1HZ LYS 60 12.712 4.918 8.483 411 HZ3 LYS 60 2HZ LYS 60 13.277 3.460 7.838 412 H SER 61 H SER 61 8.279 7.854 10.328 413 HA SER 61 HA SER 61 7.098 9.450 8.544 414 HB2 SER 61 1HB SER 61 8.977 9.932 10.351 415 HB3 SER 61 2HB SER 61 10.014 9.978 8.927 416 HG SER 61 HG SER 61 7.961 11.699 9.698 417 H LEU 62 H LEU 62 6.786 9.168 6.438 418 HA LEU 62 HA LEU 62 8.813 7.928 4.777 419 HB2 LEU 62 1HB LEU 62 6.190 9.077 3.867 420 HB3 LEU 62 2HB LEU 62 7.172 7.846 3.075 421 HG LEU 62 HG LEU 62 5.782 7.414 5.714 422 HD11 LEU 62 1HD1 LEU 62 4.682 7.523 3.048 423 HD12 LEU 62 2HD1 LEU 62 3.864 7.331 4.598 424 HD13 LEU 62 3HD1 LEU 62 4.498 5.918 3.755 425 HD21 LEU 62 3HD2 LEU 62 7.434 5.806 5.555 426 HD22 LEU 62 1HD2 LEU 62 7.315 5.706 3.798 427 HD23 LEU 62 2HD2 LEU 62 6.057 4.994 4.809 428 H THR 63 H THR 63 9.483 10.478 5.906 429 HA THR 63 HA THR 63 10.039 11.914 3.421 430 HB THR 63 HB THR 63 8.081 13.053 4.335 431 HG1 THR 63 1HG THR 63 10.514 14.199 3.966 432 HG21 THR 63 3HG2 THR 63 9.766 13.531 6.796 433 HG22 THR 63 1HG2 THR 63 8.407 12.412 6.698 434 HG23 THR 63 2HG2 THR 63 8.138 14.144 6.505 435 H GLY 64 H GLY 64 12.041 12.812 3.342 436 HA2 GLY 64 1HA GLY 64 13.643 13.890 5.202 437 HA3 GLY 64 2HA GLY 64 13.843 12.175 5.528 438 H GLN 65 H GLN 65 14.121 10.922 3.279 439 HA GLN 65 HA GLN 65 15.897 12.400 1.500 440 HB2 GLN 65 1HB GLN 65 16.738 10.235 3.356 441 HB3 GLN 65 2HB GLN 65 17.418 10.215 1.734 442 HG2 GLN 65 1HG GLN 65 17.521 12.597 3.565 443 HG3 GLN 65 2HG GLN 65 18.800 11.391 3.439 444 HE21 GLN 65 1HE2 GLN 65 20.344 11.751 2.013 445 HE22 GLN 65 2HE2 GLN 65 20.264 12.858 0.689 446 H ASN 66 H ASN 66 15.503 11.877 -0.546 447 HA ASN 66 HA ASN 66 14.724 10.799 -2.391 448 HB2 ASN 66 1HB ASN 66 15.307 8.350 -0.711 449 HB3 ASN 66 2HB ASN 66 14.931 8.318 -2.431 450 HD21 ASN 66 1HD2 ASN 66 17.375 8.070 -0.365 451 HD22 ASN 66 2HD2 ASN 66 18.668 8.712 -1.314 452 H THR 67 H THR 67 12.764 11.840 -0.851 453 HA THR 67 HA THR 67 10.766 10.107 0.055 454 HB THR 67 HB THR 67 10.759 12.510 0.557 455 HG1 THR 67 1HG THR 67 8.369 12.148 -0.858 456 HG21 THR 67 3HG2 THR 67 10.492 12.701 -2.393 457 HG22 THR 67 1HG2 THR 67 11.353 13.747 -1.266 458 HG23 THR 67 2HG2 THR 67 9.601 13.871 -1.420 459 H ALA 68 H ALA 68 8.589 9.832 -0.945 460 HA ALA 68 HA ALA 68 8.701 8.397 -3.304 461 HB1 ALA 68 3HB ALA 68 6.514 8.007 -2.963 462 HB2 ALA 68 1HB ALA 68 6.792 8.839 -1.433 463 HB3 ALA 68 2HB ALA 68 6.126 9.720 -2.808 464 H THR 69 H THR 69 7.844 8.828 -5.419 465 HA THR 69 HA THR 69 8.486 11.526 -6.314 466 HB THR 69 HB THR 69 9.472 9.629 -7.530 467 HG1 THR 69 1HG THR 69 9.298 10.757 -9.322 468 HG21 THR 69 3HG2 THR 69 8.254 7.989 -8.616 469 HG22 THR 69 1HG2 THR 69 6.790 8.969 -8.678 470 HG23 THR 69 2HG2 THR 69 7.294 8.232 -7.157 471 H ASN 70 H ASN 70 5.792 9.226 -6.409 472 HA ASN 70 HA ASN 70 4.046 10.989 -7.826 473 HB2 ASN 70 1HB ASN 70 3.667 8.396 -6.350 474 HB3 ASN 70 2HB ASN 70 2.283 9.302 -6.953 475 HD21 ASN 70 1HD2 ASN 70 5.314 7.795 -7.921 476 HD22 ASN 70 2HD2 ASN 70 4.830 7.440 -9.541 477 HA PRO 71 HA PRO 71 2.973 13.525 -4.340 478 HB2 PRO 71 1HB PRO 71 1.031 14.949 -5.593 479 HB3 PRO 71 2HB PRO 71 2.755 15.237 -5.858 480 HG2 PRO 71 1HG PRO 71 0.816 13.684 -7.528 481 HG3 PRO 71 2HG PRO 71 2.074 14.824 -8.042 482 HD2 PRO 71 1HD PRO 71 2.406 12.139 -8.155 483 HD3 PRO 71 2HD PRO 71 3.751 13.255 -7.846 484 HA PRO 72 HA PRO 72 -0.572 11.672 -2.510 485 HB2 PRO 72 1HB PRO 72 -1.531 13.719 -1.007 486 HB3 PRO 72 2HB PRO 72 -0.054 12.838 -0.600 487 HG2 PRO 72 1HG PRO 72 -0.366 15.481 -1.971 488 HG3 PRO 72 2HG PRO 72 0.783 15.005 -0.707 489 HD2 PRO 72 1HD PRO 72 1.466 15.133 -3.324 490 HD3 PRO 72 2HD PRO 72 2.191 13.962 -2.204 491 H GLY 73 H GLY 73 -1.758 11.437 -4.520 492 HA2 GLY 73 1HA GLY 73 -3.989 11.558 -5.301 493 HA3 GLY 73 2HA GLY 73 -4.144 13.134 -4.538 494 H LEU 74 H LEU 74 -5.072 13.878 -6.531 495 HA LEU 74 HA LEU 74 -3.008 14.581 -8.501 496 HB2 LEU 74 1HB LEU 74 -5.636 13.270 -8.940 497 HB3 LEU 74 2HB LEU 74 -5.108 14.467 -10.121 498 HG LEU 74 HG LEU 74 -2.992 13.104 -10.367 499 HD11 LEU 74 1HD1 LEU 74 -2.631 11.323 -9.098 500 HD12 LEU 74 2HD1 LEU 74 -4.185 10.626 -9.556 501 HD13 LEU 74 3HD1 LEU 74 -4.083 11.727 -8.182 502 HD21 LEU 74 3HD2 LEU 74 -4.564 11.153 -11.451 503 HD22 LEU 74 1HD2 LEU 74 -4.188 12.697 -12.215 504 HD23 LEU 74 2HD2 LEU 74 -5.693 12.502 -11.316 505 H THR 75 H THR 75 -6.241 15.294 -7.232 506 HA THR 75 HA THR 75 -5.653 18.127 -7.289 507 HB THR 75 HB THR 75 -6.527 17.789 -9.551 508 HG1 THR 75 1HG THR 75 -7.600 19.409 -7.678 509 HG21 THR 75 3HG2 THR 75 -8.364 16.054 -8.191 510 HG22 THR 75 1HG2 THR 75 -8.090 16.244 -9.922 511 HG23 THR 75 2HG2 THR 75 -9.256 17.277 -9.095 512 H GLY 76 H GLY 76 -6.802 19.271 -5.783 513 HA2 GLY 76 1HA GLY 76 -8.344 19.698 -4.115 514 HA3 GLY 76 2HA GLY 76 -9.231 18.269 -4.624 515 H VAL 77 H VAL 77 -6.029 18.950 -3.202 516 HA VAL 77 HA VAL 77 -6.504 16.728 -1.329 517 HB VAL 77 HB VAL 77 -3.884 17.946 -2.213 518 HG11 VAL 77 1HG1 VAL 77 -4.318 16.829 0.195 519 HG12 VAL 77 2HG1 VAL 77 -3.941 15.386 -0.750 520 HG13 VAL 77 3HG1 VAL 77 -2.785 16.717 -0.671 521 HG21 VAL 77 3HG2 VAL 77 -3.561 16.126 -3.594 522 HG22 VAL 77 1HG2 VAL 77 -4.709 15.120 -2.711 523 HG23 VAL 77 2HG2 VAL 77 -5.293 16.400 -3.775 524 H GLY 78 H GLY 78 -6.581 17.106 0.806 525 HA2 GLY 78 1HA GLY 78 -5.909 18.225 2.800 526 HA3 GLY 78 2HA GLY 78 -5.531 19.647 1.838 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -4.253 -15.385 1.094 2 HA2 GLY 1 1HA GLY 1 -6.812 -16.759 0.841 3 HA3 GLY 1 2HA GLY 1 -5.596 -17.155 -0.364 4 H SER 2 H SER 2 -6.785 -18.938 1.556 5 HA SER 2 HA SER 2 -4.535 -19.501 3.358 6 HB2 SER 2 1HB SER 2 -6.137 -21.048 4.495 7 HB3 SER 2 2HB SER 2 -6.667 -19.366 4.496 8 HG SER 2 HG SER 2 -8.274 -19.854 3.188 9 H SER 3 H SER 3 -3.696 -21.636 3.517 10 HA SER 3 HA SER 3 -4.430 -23.598 1.524 11 HB2 SER 3 1HB SER 3 -2.777 -21.917 0.461 12 HB3 SER 3 2HB SER 3 -1.566 -22.668 1.500 13 HG SER 3 HG SER 3 -2.409 -24.715 0.522 14 H GLY 4 H GLY 4 -3.710 -25.668 2.011 15 HA2 GLY 4 1HA GLY 4 -3.322 -26.327 4.675 16 HA3 GLY 4 2HA GLY 4 -2.929 -27.382 3.325 17 H SER 5 H SER 5 -0.844 -27.817 2.901 18 HA SER 5 HA SER 5 1.144 -26.690 4.700 19 HB2 SER 5 1HB SER 5 1.144 -29.020 2.788 20 HB3 SER 5 2HB SER 5 2.630 -28.442 3.541 21 HG SER 5 HG SER 5 1.579 -28.774 5.582 22 H SER 6 H SER 6 1.558 -24.640 3.942 23 HA SER 6 HA SER 6 2.136 -24.150 1.165 24 HB2 SER 6 1HB SER 6 2.502 -21.849 1.838 25 HB3 SER 6 2HB SER 6 1.053 -22.454 2.641 26 HG SER 6 HG SER 6 1.990 -22.155 4.493 27 H GLY 7 H GLY 7 4.030 -24.449 0.206 28 HA2 GLY 7 1HA GLY 7 6.342 -25.255 1.682 29 HA3 GLY 7 2HA GLY 7 6.254 -24.995 -0.054 30 H THR 8 H THR 8 8.283 -23.969 -0.053 31 HA THR 8 HA THR 8 8.532 -21.472 1.441 32 HB THR 8 HB THR 8 10.440 -23.081 1.380 33 HG1 THR 8 1HG THR 8 10.634 -20.417 0.494 34 HG21 THR 8 3HG2 THR 8 10.490 -24.009 -0.749 35 HG22 THR 8 1HG2 THR 8 11.824 -22.858 -0.810 36 HG23 THR 8 2HG2 THR 8 10.273 -22.450 -1.544 37 H GLU 9 H GLU 9 6.630 -21.655 -0.741 38 HA GLU 9 HA GLU 9 7.583 -20.523 -3.120 39 HB2 GLU 9 1HB GLU 9 4.897 -20.592 -1.788 40 HB3 GLU 9 2HB GLU 9 5.132 -19.645 -3.251 41 HG2 GLU 9 1HG GLU 9 5.388 -21.480 -4.571 42 HG3 GLU 9 2HG GLU 9 6.046 -22.466 -3.267 43 H GLU 10 H GLU 10 7.511 -18.380 -3.906 44 HA GLU 10 HA GLU 10 8.196 -16.411 -1.910 45 HB2 GLU 10 1HB GLU 10 8.907 -15.041 -3.711 46 HB3 GLU 10 2HB GLU 10 9.374 -16.682 -4.133 47 HG2 GLU 10 1HG GLU 10 7.090 -16.708 -5.387 48 HG3 GLU 10 2HG GLU 10 7.252 -14.955 -5.310 49 H HIS 11 H HIS 11 7.014 -14.690 -1.264 50 HA HIS 11 HA HIS 11 5.063 -13.612 -0.718 51 HB2 HIS 11 1HB HIS 11 6.006 -12.662 -3.006 52 HB3 HIS 11 2HB HIS 11 4.496 -13.316 -3.634 53 HD2 HIS 11 2HD HIS 11 2.474 -12.374 -1.257 54 HE1 HIS 11 1HE HIS 11 4.000 -8.492 -2.034 55 HE2 HIS 11 2HE HIS 11 2.183 -9.827 -0.911 56 H VAL 12 H VAL 12 4.653 -16.351 -0.695 57 HA VAL 12 HA VAL 12 2.317 -17.036 -2.224 58 HB VAL 12 HB VAL 12 3.878 -18.790 -1.626 59 HG11 VAL 12 1HG1 VAL 12 3.278 -17.927 1.187 60 HG12 VAL 12 2HG1 VAL 12 3.929 -19.525 0.818 61 HG13 VAL 12 3HG1 VAL 12 4.844 -18.078 0.391 62 HG21 VAL 12 3HG2 VAL 12 1.105 -18.890 -1.260 63 HG22 VAL 12 1HG2 VAL 12 2.195 -20.241 -1.572 64 HG23 VAL 12 2HG2 VAL 12 1.795 -19.796 0.087 65 H GLY 13 H GLY 13 2.967 -15.648 0.887 66 HA2 GLY 13 1HA GLY 13 0.939 -14.349 1.675 67 HA3 GLY 13 2HA GLY 13 0.110 -15.896 1.590 68 H SER 14 H SER 14 3.362 -15.143 2.791 69 HA SER 14 HA SER 14 2.808 -16.632 5.211 70 HB2 SER 14 1HB SER 14 5.011 -16.650 3.856 71 HB3 SER 14 2HB SER 14 5.350 -15.116 4.657 72 HG SER 14 HG SER 14 5.064 -17.683 5.781 73 H GLY 15 H GLY 15 1.415 -15.465 6.473 74 HA2 GLY 15 1HA GLY 15 0.591 -13.636 7.656 75 HA3 GLY 15 2HA GLY 15 2.188 -13.764 8.378 76 H LEU 16 H LEU 16 1.016 -12.604 5.218 77 HA LEU 16 HA LEU 16 2.444 -10.080 5.744 78 HB2 LEU 16 1HB LEU 16 2.471 -9.966 3.165 79 HB3 LEU 16 2HB LEU 16 3.629 -11.003 3.996 80 HG LEU 16 HG LEU 16 2.375 -12.966 3.416 81 HD11 LEU 16 1HD1 LEU 16 0.282 -10.989 2.744 82 HD12 LEU 16 2HD1 LEU 16 0.143 -12.598 3.452 83 HD13 LEU 16 3HD1 LEU 16 0.393 -12.418 1.716 84 HD21 LEU 16 3HD2 LEU 16 3.529 -11.200 1.518 85 HD22 LEU 16 1HD2 LEU 16 2.144 -11.989 0.763 86 HD23 LEU 16 2HD2 LEU 16 3.436 -12.961 1.470 87 H GLU 17 H GLU 17 -0.549 -11.414 5.512 88 HA GLU 17 HA GLU 17 -2.154 -9.982 3.891 89 HB2 GLU 17 1HB GLU 17 -3.917 -10.133 5.586 90 HB3 GLU 17 2HB GLU 17 -3.004 -11.631 5.481 91 HG2 GLU 17 1HG GLU 17 -1.675 -10.856 7.454 92 HG3 GLU 17 2HG GLU 17 -2.808 -9.514 7.606 93 H CYS 18 H CYS 18 -2.998 -7.955 3.722 94 HA CYS 18 HA CYS 18 -1.544 -5.768 4.616 95 HB2 CYS 18 1HB CYS 18 -2.880 -5.284 2.790 96 HB3 CYS 18 2HB CYS 18 -4.280 -6.113 3.463 97 HA PRO 19 HA PRO 19 -2.793 -5.468 8.858 98 HB2 PRO 19 1HB PRO 19 -1.652 -3.056 9.357 99 HB3 PRO 19 2HB PRO 19 -0.720 -4.552 9.233 100 HG2 PRO 19 1HG PRO 19 -1.150 -2.412 7.184 101 HG3 PRO 19 2HG PRO 19 0.341 -3.276 7.604 102 HD2 PRO 19 1HD PRO 19 -1.153 -3.915 5.438 103 HD3 PRO 19 2HD PRO 19 -0.230 -5.125 6.351 104 H VAL 20 H VAL 20 -3.370 -2.924 6.491 105 HA VAL 20 HA VAL 20 -5.003 -1.216 7.927 106 HB VAL 20 HB VAL 20 -5.582 -1.939 5.064 107 HG11 VAL 20 1HG1 VAL 20 -5.987 0.451 6.812 108 HG12 VAL 20 2HG1 VAL 20 -5.851 0.648 5.064 109 HG13 VAL 20 3HG1 VAL 20 -7.129 -0.361 5.742 110 HG21 VAL 20 3HG2 VAL 20 -3.078 -1.089 6.131 111 HG22 VAL 20 1HG2 VAL 20 -3.526 -1.371 4.449 112 HG23 VAL 20 2HG2 VAL 20 -3.761 0.222 5.169 113 H CYS 21 H CYS 21 -5.998 -4.038 5.991 114 HA CYS 21 HA CYS 21 -8.605 -3.965 7.349 115 HB2 CYS 21 1HB CYS 21 -9.287 -5.545 5.478 116 HB3 CYS 21 2HB CYS 21 -8.923 -3.891 4.999 117 H LYS 22 H LYS 22 -5.701 -5.772 6.988 118 HA LYS 22 HA LYS 22 -4.922 -7.645 8.021 119 HB2 LYS 22 1HB LYS 22 -7.461 -7.523 9.657 120 HB3 LYS 22 2HB LYS 22 -5.998 -8.414 10.057 121 HG2 LYS 22 1HG LYS 22 -5.762 -5.487 9.640 122 HG3 LYS 22 2HG LYS 22 -6.545 -6.055 11.116 123 HD2 LYS 22 1HD LYS 22 -4.586 -7.385 11.668 124 HD3 LYS 22 2HD LYS 22 -3.808 -6.898 10.160 125 HE2 LYS 22 1HE LYS 22 -3.383 -4.773 10.908 126 HE3 LYS 22 2HE LYS 22 -4.747 -4.777 12.024 127 HZ1 LYS 22 3HZ LYS 22 -2.900 -4.912 13.396 128 HZ2 LYS 22 1HZ LYS 22 -2.077 -5.982 12.376 129 HZ3 LYS 22 2HZ LYS 22 -3.397 -6.525 13.283 130 H GLU 23 H GLU 23 -6.351 -7.913 5.618 131 HA GLU 23 HA GLU 23 -7.908 -10.374 5.983 132 HB2 GLU 23 1HB GLU 23 -7.659 -8.485 3.640 133 HB3 GLU 23 2HB GLU 23 -8.530 -10.010 3.569 134 HG2 GLU 23 1HG GLU 23 -9.242 -8.107 5.729 135 HG3 GLU 23 2HG GLU 23 -9.741 -7.722 4.083 136 H ASP 24 H ASP 24 -6.084 -9.414 3.126 137 HA ASP 24 HA ASP 24 -3.822 -10.987 3.430 138 HB2 ASP 24 1HB ASP 24 -4.441 -12.948 1.979 139 HB3 ASP 24 2HB ASP 24 -5.197 -12.943 3.570 140 H TYR 25 H TYR 25 -2.777 -11.514 1.269 141 HA TYR 25 HA TYR 25 -3.378 -9.317 -0.578 142 HB2 TYR 25 1HB TYR 25 -0.891 -10.952 -0.092 143 HB3 TYR 25 2HB TYR 25 -1.060 -9.883 -1.480 144 HD1 TYR 25 1HD TYR 25 -2.528 -7.620 -0.186 145 HD2 TYR 25 2HD TYR 25 0.809 -9.903 1.139 146 HE1 TYR 25 1HE TYR 25 -1.779 -5.719 1.184 147 HE2 TYR 25 2HE TYR 25 1.566 -8.009 2.514 148 HH TYR 25 HH TYR 25 1.320 -5.689 2.747 149 H ALA 26 H ALA 26 -2.415 -10.014 -2.913 150 HA ALA 26 HA ALA 26 -3.104 -12.683 -3.712 151 HB1 ALA 26 3HB ALA 26 -4.824 -10.566 -4.943 152 HB2 ALA 26 1HB ALA 26 -5.056 -12.314 -4.908 153 HB3 ALA 26 2HB ALA 26 -5.310 -11.361 -3.446 154 H LEU 27 H LEU 27 -2.019 -13.226 -5.513 155 HA LEU 27 HA LEU 27 0.047 -11.883 -6.574 156 HB2 LEU 27 1HB LEU 27 -1.847 -13.546 -8.225 157 HB3 LEU 27 2HB LEU 27 -0.156 -13.211 -8.590 158 HG LEU 27 HG LEU 27 0.189 -14.395 -6.236 159 HD11 LEU 27 1HD1 LEU 27 -1.664 -15.296 -5.414 160 HD12 LEU 27 2HD1 LEU 27 -1.670 -16.398 -6.790 161 HD13 LEU 27 3HD1 LEU 27 -2.577 -14.888 -6.866 162 HD21 LEU 27 3HD2 LEU 27 0.592 -16.478 -7.453 163 HD22 LEU 27 1HD2 LEU 27 1.195 -15.082 -8.348 164 HD23 LEU 27 2HD2 LEU 27 -0.317 -15.852 -8.830 165 H GLY 28 H GLY 28 -3.296 -11.639 -7.763 166 HA2 GLY 28 1HA GLY 28 -2.606 -9.639 -9.718 167 HA3 GLY 28 2HA GLY 28 -4.225 -10.184 -9.307 168 H GLU 29 H GLU 29 -3.771 -9.641 -6.428 169 HA GLU 29 HA GLU 29 -4.824 -7.041 -6.332 170 HB2 GLU 29 1HB GLU 29 -3.789 -8.979 -4.317 171 HB3 GLU 29 2HB GLU 29 -4.014 -7.309 -3.816 172 HG2 GLU 29 1HG GLU 29 -6.332 -7.382 -4.297 173 HG3 GLU 29 2HG GLU 29 -6.177 -8.931 -5.124 174 H SER 30 H SER 30 -3.841 -5.169 -6.651 175 HA SER 30 HA SER 30 -1.026 -4.913 -6.857 176 HB2 SER 30 1HB SER 30 -2.761 -3.498 -8.047 177 HB3 SER 30 2HB SER 30 -2.997 -2.646 -6.521 178 HG SER 30 HG SER 30 -0.541 -2.443 -6.692 179 H VAL 31 H VAL 31 0.218 -5.178 -5.109 180 HA VAL 31 HA VAL 31 -0.600 -3.954 -2.571 181 HB VAL 31 HB VAL 31 1.585 -5.299 -1.851 182 HG11 VAL 31 1HG1 VAL 31 0.079 -7.233 -1.339 183 HG12 VAL 31 2HG1 VAL 31 -0.543 -5.661 -0.834 184 HG13 VAL 31 3HG1 VAL 31 -1.171 -6.433 -2.291 185 HG21 VAL 31 3HG2 VAL 31 2.111 -6.025 -4.131 186 HG22 VAL 31 1HG2 VAL 31 1.769 -7.399 -3.078 187 HG23 VAL 31 2HG2 VAL 31 0.553 -6.845 -4.229 188 H ARG 32 H ARG 32 0.816 -2.626 -1.388 189 HA ARG 32 HA ARG 32 3.021 -1.465 -2.961 190 HB2 ARG 32 1HB ARG 32 1.590 0.320 -2.964 191 HB3 ARG 32 2HB ARG 32 0.797 -0.176 -1.475 192 HG2 ARG 32 1HG ARG 32 2.273 0.932 -0.152 193 HG3 ARG 32 2HG ARG 32 3.612 0.726 -1.283 194 HD2 ARG 32 1HD ARG 32 2.526 2.383 -2.781 195 HD3 ARG 32 2HD ARG 32 1.300 2.644 -1.541 196 HE ARG 32 HE ARG 32 2.845 3.820 -0.284 197 HH11 ARG 32 1HH1 ARG 32 4.384 2.340 -3.033 198 HH12 ARG 32 2HH1 ARG 32 5.856 3.237 -2.856 199 HH21 ARG 32 1HH2 ARG 32 4.777 5.007 -0.041 200 HH22 ARG 32 2HH2 ARG 32 6.079 4.753 -1.154 201 H GLN 33 H GLN 33 4.940 -1.139 -1.946 202 HA GLN 33 HA GLN 33 5.138 -2.137 0.810 203 HB2 GLN 33 1HB GLN 33 6.457 -3.274 -1.006 204 HB3 GLN 33 2HB GLN 33 7.374 -1.785 -1.189 205 HG2 GLN 33 1HG GLN 33 8.551 -2.111 0.707 206 HG3 GLN 33 2HG GLN 33 7.204 -2.886 1.540 207 HE21 GLN 33 1HE2 GLN 33 8.715 -4.452 2.288 208 HE22 GLN 33 2HE2 GLN 33 9.216 -5.747 1.260 209 H LEU 34 H LEU 34 6.097 -0.950 2.411 210 HA LEU 34 HA LEU 34 6.500 1.890 1.812 211 HB2 LEU 34 1HB LEU 34 5.858 0.363 4.306 212 HB3 LEU 34 2HB LEU 34 6.500 2.002 4.394 213 HG LEU 34 HG LEU 34 3.880 1.110 3.205 214 HD11 LEU 34 1HD1 LEU 34 4.371 3.173 5.329 215 HD12 LEU 34 2HD1 LEU 34 4.174 1.463 5.712 216 HD13 LEU 34 3HD1 LEU 34 2.869 2.345 4.919 217 HD21 LEU 34 3HD2 LEU 34 3.900 3.854 3.134 218 HD22 LEU 34 1HD2 LEU 34 4.122 2.786 1.748 219 HD23 LEU 34 2HD2 LEU 34 5.527 3.437 2.593 220 HA PRO 35 HA PRO 35 10.829 1.847 2.523 221 HB2 PRO 35 1HB PRO 35 11.219 4.142 3.919 222 HB3 PRO 35 2HB PRO 35 10.811 4.121 2.200 223 HG2 PRO 35 1HG PRO 35 9.031 4.575 4.562 224 HG3 PRO 35 2HG PRO 35 9.073 5.435 3.012 225 HD2 PRO 35 1HD PRO 35 7.238 3.523 3.568 226 HD3 PRO 35 2HD PRO 35 7.862 3.800 1.929 227 H CYS 36 H CYS 36 8.723 1.158 4.920 228 HA CYS 36 HA CYS 36 10.821 0.959 6.979 229 HB2 CYS 36 1HB CYS 36 8.896 0.743 8.589 230 HB3 CYS 36 2HB CYS 36 9.023 2.310 7.795 231 H ASN 37 H ASN 37 9.731 -0.853 4.648 232 HA ASN 37 HA ASN 37 9.828 -3.105 4.272 233 HB2 ASN 37 1HB ASN 37 10.116 -3.792 7.156 234 HB3 ASN 37 2HB ASN 37 10.924 -4.479 5.750 235 HD21 ASN 37 1HD2 ASN 37 11.363 -2.658 8.435 236 HD22 ASN 37 2HD2 ASN 37 12.788 -1.796 7.975 237 H HIS 38 H HIS 38 7.405 -1.665 4.856 238 HA HIS 38 HA HIS 38 5.757 -3.905 5.823 239 HB2 HIS 38 1HB HIS 38 5.492 -0.969 6.451 240 HB3 HIS 38 2HB HIS 38 4.139 -2.084 6.621 241 HD2 HIS 38 2HD HIS 38 5.669 -4.547 8.119 242 HE1 HIS 38 1HE HIS 38 6.797 -1.597 10.952 243 HE2 HIS 38 2HE HIS 38 6.630 -4.064 10.471 244 H LEU 39 H LEU 39 4.268 -4.572 4.422 245 HA LEU 39 HA LEU 39 3.785 -2.957 2.030 246 HB2 LEU 39 1HB LEU 39 3.479 -5.857 2.694 247 HB3 LEU 39 2HB LEU 39 2.608 -5.164 1.327 248 HG LEU 39 HG LEU 39 5.547 -4.731 1.472 249 HD11 LEU 39 1HD1 LEU 39 4.928 -7.152 0.039 250 HD12 LEU 39 2HD1 LEU 39 4.505 -7.303 1.744 251 HD13 LEU 39 3HD1 LEU 39 6.147 -6.859 1.279 252 HD21 LEU 39 3HD2 LEU 39 4.413 -3.691 -0.331 253 HD22 LEU 39 1HD2 LEU 39 3.506 -5.158 -0.699 254 HD23 LEU 39 2HD2 LEU 39 5.243 -5.096 -1.002 255 H PHE 40 H PHE 40 1.612 -2.781 1.169 256 HA PHE 40 HA PHE 40 -0.630 -3.341 2.884 257 HB2 PHE 40 1HB PHE 40 -0.004 -0.445 2.288 258 HB3 PHE 40 2HB PHE 40 -1.337 -1.068 3.255 259 HD1 PHE 40 2HD PHE 40 2.371 -0.907 3.128 260 HD2 PHE 40 1HD PHE 40 -1.106 -1.312 5.550 261 HE1 PHE 40 2HE PHE 40 3.763 -0.734 5.149 262 HE2 PHE 40 1HE PHE 40 0.281 -1.138 7.575 263 HZ PHE 40 HZ PHE 40 2.719 -0.850 7.376 264 H HIS 41 H HIS 41 -2.581 -3.281 1.803 265 HA HIS 41 HA HIS 41 -2.633 -3.729 -0.911 266 HB2 HIS 41 1HB HIS 41 -4.768 -2.787 0.990 267 HB3 HIS 41 2HB HIS 41 -5.116 -3.067 -0.714 268 HD2 HIS 41 2HD HIS 41 -3.662 -5.906 -1.183 269 HE1 HIS 41 1HE HIS 41 -5.876 -7.218 2.189 270 HE2 HIS 41 2HE HIS 41 -4.491 -7.923 0.207 271 H ASP 42 H ASP 42 -2.788 -2.519 -2.723 272 HA ASP 42 HA ASP 42 -1.998 0.182 -2.669 273 HB2 ASP 42 1HB ASP 42 -1.547 -1.241 -4.594 274 HB3 ASP 42 2HB ASP 42 -3.274 -1.421 -4.895 275 H SER 43 H SER 43 -4.928 -1.131 -1.878 276 HA SER 43 HA SER 43 -6.387 1.307 -2.658 277 HB2 SER 43 1HB SER 43 -7.458 -0.547 -3.696 278 HB3 SER 43 2HB SER 43 -7.353 -1.521 -2.229 279 HG SER 43 HG SER 43 -9.294 -0.791 -1.885 280 H CYS 44 H CYS 44 -4.930 -0.188 -0.101 281 HA CYS 44 HA CYS 44 -6.825 0.917 1.861 282 HB2 CYS 44 1HB CYS 44 -4.682 -1.194 2.154 283 HB3 CYS 44 2HB CYS 44 -5.589 -0.524 3.507 284 H ILE 45 H ILE 45 -3.500 0.958 0.766 285 HA ILE 45 HA ILE 45 -2.679 2.774 2.878 286 HB ILE 45 HB ILE 45 -1.255 0.909 1.657 287 HG12 ILE 45 1HG1 ILE 45 0.774 2.096 2.343 288 HG13 ILE 45 2HG1 ILE 45 -0.112 3.617 2.381 289 HG21 ILE 45 1HG2 ILE 45 0.196 1.877 -0.073 290 HG22 ILE 45 2HG2 ILE 45 -1.493 1.829 -0.576 291 HG23 ILE 45 3HG2 ILE 45 -0.773 3.350 -0.048 292 HD11 ILE 45 3HD1 ILE 45 0.337 2.407 4.589 293 HD12 ILE 45 1HD1 ILE 45 -1.290 3.019 4.290 294 HD13 ILE 45 2HD1 ILE 45 -0.941 1.302 4.083 295 H VAL 46 H VAL 46 -3.077 2.841 -0.651 296 HA VAL 46 HA VAL 46 -2.223 5.304 -1.346 297 HB VAL 46 HB VAL 46 -4.516 3.661 -2.262 298 HG11 VAL 46 1HG1 VAL 46 -4.936 5.558 -3.992 299 HG12 VAL 46 2HG1 VAL 46 -5.719 5.630 -2.412 300 HG13 VAL 46 3HG1 VAL 46 -4.284 6.604 -2.731 301 HG21 VAL 46 3HG2 VAL 46 -3.196 3.287 -4.044 302 HG22 VAL 46 1HG2 VAL 46 -2.715 4.980 -4.168 303 HG23 VAL 46 2HG2 VAL 46 -1.916 3.919 -3.008 304 HA PRO 47 HA PRO 47 -6.309 7.430 0.128 305 HB2 PRO 47 1HB PRO 47 -7.980 5.962 1.685 306 HB3 PRO 47 2HB PRO 47 -8.093 5.997 -0.079 307 HG2 PRO 47 1HG PRO 47 -6.823 3.949 1.696 308 HG3 PRO 47 2HG PRO 47 -7.842 3.711 0.265 309 HD2 PRO 47 1HD PRO 47 -5.143 3.501 0.183 310 HD3 PRO 47 2HD PRO 47 -6.098 4.087 -1.195 311 H TRP 48 H TRP 48 -4.389 5.342 2.071 312 HA TRP 48 HA TRP 48 -4.986 6.657 4.572 313 HB2 TRP 48 1HB TRP 48 -4.400 4.295 4.594 314 HB3 TRP 48 2HB TRP 48 -2.851 4.645 3.831 315 HD1 TRP 48 HD TRP 48 -0.873 5.349 5.381 316 HE1 TRP 48 1HE TRP 48 -0.594 5.582 7.929 317 HE3 TRP 48 3HE TRP 48 -5.781 5.003 6.769 318 HZ2 TRP 48 2HZ TRP 48 -2.238 5.614 10.224 319 HZ3 TRP 48 3HZ TRP 48 -6.343 5.144 9.161 320 HH2 TRP 48 HH TRP 48 -4.606 5.443 10.851 321 H LEU 49 H LEU 49 -2.034 6.330 2.590 322 HA LEU 49 HA LEU 49 -0.490 8.198 3.954 323 HB2 LEU 49 1HB LEU 49 -0.331 7.767 0.986 324 HB3 LEU 49 2HB LEU 49 0.969 8.185 2.100 325 HG LEU 49 HG LEU 49 -0.440 5.521 1.939 326 HD11 LEU 49 1HD1 LEU 49 0.932 5.435 0.122 327 HD12 LEU 49 2HD1 LEU 49 2.075 4.939 1.370 328 HD13 LEU 49 3HD1 LEU 49 2.074 6.603 0.786 329 HD21 LEU 49 3HD2 LEU 49 0.514 6.452 4.200 330 HD22 LEU 49 1HD2 LEU 49 2.062 6.005 3.483 331 HD23 LEU 49 2HD2 LEU 49 0.811 4.783 3.713 332 H GLU 50 H GLU 50 -2.975 8.645 1.544 333 HA GLU 50 HA GLU 50 -2.349 11.367 0.953 334 HB2 GLU 50 1HB GLU 50 -4.773 9.646 0.474 335 HB3 GLU 50 2HB GLU 50 -4.745 11.350 0.041 336 HG2 GLU 50 1HG GLU 50 -2.530 9.629 -0.924 337 HG3 GLU 50 2HG GLU 50 -4.112 9.458 -1.682 338 H GLN 51 H GLN 51 -3.479 9.960 3.711 339 HA GLN 51 HA GLN 51 -4.927 12.400 4.508 340 HB2 GLN 51 1HB GLN 51 -5.418 9.517 5.141 341 HB3 GLN 51 2HB GLN 51 -5.874 10.743 6.317 342 HG2 GLN 51 1HG GLN 51 -7.016 11.826 4.187 343 HG3 GLN 51 2HG GLN 51 -7.019 10.146 3.651 344 HE21 GLN 51 1HE2 GLN 51 -7.966 12.255 6.316 345 HE22 GLN 51 2HE2 GLN 51 -9.325 11.313 6.816 346 H HIS 52 H HIS 52 -2.740 9.832 5.580 347 HA HIS 52 HA HIS 52 -1.883 11.569 7.798 348 HB2 HIS 52 1HB HIS 52 -1.341 8.611 7.572 349 HB3 HIS 52 2HB HIS 52 -1.217 9.631 9.002 350 HD2 HIS 52 2HD HIS 52 -4.020 7.955 6.817 351 HE1 HIS 52 1HE HIS 52 -5.673 9.116 10.547 352 HE2 HIS 52 2HE HIS 52 -6.051 7.832 8.414 353 H ASP 53 H ASP 53 -0.825 9.708 5.031 354 HA ASP 53 HA ASP 53 1.101 9.744 3.819 355 HB2 ASP 53 1HB ASP 53 0.780 12.299 4.434 356 HB3 ASP 53 2HB ASP 53 2.217 12.010 5.411 357 H SER 54 H SER 54 0.908 8.123 6.151 358 HA SER 54 HA SER 54 3.731 7.626 6.583 359 HB2 SER 54 1HB SER 54 1.933 7.953 8.989 360 HB3 SER 54 2HB SER 54 3.679 7.711 8.973 361 HG SER 54 HG SER 54 3.906 9.765 8.057 362 H CYS 55 H CYS 55 3.840 5.663 8.272 363 HA CYS 55 HA CYS 55 2.299 3.563 7.020 364 HB2 CYS 55 1HB CYS 55 4.687 3.230 7.475 365 HB3 CYS 55 2HB CYS 55 4.395 3.440 9.199 366 HA PRO 56 HA PRO 56 -0.871 3.667 10.134 367 HB2 PRO 56 1HB PRO 56 -2.221 1.483 9.250 368 HB3 PRO 56 2HB PRO 56 -2.317 3.059 8.455 369 HG2 PRO 56 1HG PRO 56 -0.672 0.667 7.726 370 HG3 PRO 56 2HG PRO 56 -1.601 1.748 6.672 371 HD2 PRO 56 1HD PRO 56 1.083 1.952 6.965 372 HD3 PRO 56 2HD PRO 56 0.045 3.361 6.665 373 H VAL 57 H VAL 57 1.713 1.661 9.967 374 HA VAL 57 HA VAL 57 0.755 -0.053 12.166 375 HB VAL 57 HB VAL 57 2.986 -0.566 10.194 376 HG11 VAL 57 1HG1 VAL 57 3.478 -2.564 11.316 377 HG12 VAL 57 2HG1 VAL 57 3.330 -1.361 12.599 378 HG13 VAL 57 3HG1 VAL 57 2.006 -2.484 12.285 379 HG21 VAL 57 3HG2 VAL 57 0.862 -2.540 10.422 380 HG22 VAL 57 1HG2 VAL 57 0.273 -0.960 9.904 381 HG23 VAL 57 2HG2 VAL 57 1.543 -1.771 8.988 382 H CYS 58 H CYS 58 3.846 1.264 10.956 383 HA CYS 58 HA CYS 58 4.646 1.716 13.750 384 HB2 CYS 58 1HB CYS 58 6.946 1.657 12.977 385 HB3 CYS 58 2HB CYS 58 6.102 0.215 12.420 386 H ARG 59 H ARG 59 3.668 3.294 10.930 387 HA ARG 59 HA ARG 59 3.519 5.481 10.325 388 HB2 ARG 59 1HB ARG 59 4.230 5.984 13.222 389 HB3 ARG 59 2HB ARG 59 3.558 7.169 12.109 390 HG2 ARG 59 1HG ARG 59 2.132 4.612 12.767 391 HG3 ARG 59 2HG ARG 59 1.960 6.071 13.745 392 HD2 ARG 59 1HD ARG 59 1.592 6.292 10.802 393 HD3 ARG 59 2HD ARG 59 0.314 5.529 11.747 394 HE ARG 59 HE ARG 59 0.906 8.303 11.619 395 HH11 ARG 59 1HH1 ARG 59 -0.197 5.803 13.775 396 HH12 ARG 59 2HH1 ARG 59 -1.094 6.888 14.785 397 HH21 ARG 59 1HH2 ARG 59 -0.271 9.742 12.940 398 HH22 ARG 59 2HH2 ARG 59 -1.136 9.128 14.308 399 H LYS 60 H LYS 60 5.993 4.135 9.920 400 HA LYS 60 HA LYS 60 8.232 5.655 10.686 401 HB2 LYS 60 1HB LYS 60 7.657 3.575 8.651 402 HB3 LYS 60 2HB LYS 60 9.077 4.574 8.371 403 HG2 LYS 60 1HG LYS 60 8.771 3.447 11.084 404 HG3 LYS 60 2HG LYS 60 9.134 2.310 9.784 405 HD2 LYS 60 1HD LYS 60 10.711 4.833 10.251 406 HD3 LYS 60 2HD LYS 60 11.130 3.285 10.988 407 HE2 LYS 60 1HE LYS 60 10.693 3.377 8.047 408 HE3 LYS 60 2HE LYS 60 12.182 4.068 8.690 409 HZ1 LYS 60 3HZ LYS 60 11.245 1.275 8.800 410 HZ2 LYS 60 1HZ LYS 60 12.365 1.846 9.932 411 HZ3 LYS 60 2HZ LYS 60 12.739 1.877 8.283 412 H SER 61 H SER 61 8.408 7.766 10.282 413 HA SER 61 HA SER 61 7.182 9.412 8.592 414 HB2 SER 61 1HB SER 61 8.895 10.229 10.103 415 HB3 SER 61 2HB SER 61 10.155 9.434 9.160 416 HG SER 61 HG SER 61 9.364 10.814 7.375 417 H LEU 62 H LEU 62 6.750 9.433 6.497 418 HA LEU 62 HA LEU 62 8.544 8.012 4.661 419 HB2 LEU 62 1HB LEU 62 5.770 9.009 4.070 420 HB3 LEU 62 2HB LEU 62 6.712 7.827 3.164 421 HG LEU 62 HG LEU 62 5.679 7.356 5.956 422 HD11 LEU 62 1HD1 LEU 62 3.834 7.712 4.352 423 HD12 LEU 62 2HD1 LEU 62 3.901 6.063 4.973 424 HD13 LEU 62 3HD1 LEU 62 4.491 6.419 3.349 425 HD21 LEU 62 3HD2 LEU 62 6.182 5.037 5.488 426 HD22 LEU 62 1HD2 LEU 62 7.628 6.018 5.251 427 HD23 LEU 62 2HD2 LEU 62 6.710 5.450 3.856 428 H THR 63 H THR 63 7.915 11.088 5.716 429 HA THR 63 HA THR 63 8.782 12.269 3.157 430 HB THR 63 HB THR 63 6.559 13.063 3.761 431 HG1 THR 63 1HG THR 63 7.948 15.337 4.435 432 HG21 THR 63 3HG2 THR 63 7.660 14.377 6.216 433 HG22 THR 63 1HG2 THR 63 7.074 12.715 6.291 434 HG23 THR 63 2HG2 THR 63 5.986 14.013 5.798 435 H GLY 64 H GLY 64 8.968 12.674 6.693 436 HA2 GLY 64 1HA GLY 64 10.790 13.205 8.010 437 HA3 GLY 64 2HA GLY 64 11.798 13.126 6.573 438 H GLN 65 H GLN 65 12.846 14.972 6.299 439 HA GLN 65 HA GLN 65 11.337 17.480 6.530 440 HB2 GLN 65 1HB GLN 65 14.028 16.860 7.738 441 HB3 GLN 65 2HB GLN 65 13.472 18.506 7.467 442 HG2 GLN 65 1HG GLN 65 11.434 17.881 8.847 443 HG3 GLN 65 2HG GLN 65 12.332 16.438 9.313 444 HE21 GLN 65 1HE2 GLN 65 14.374 16.739 10.395 445 HE22 GLN 65 2HE2 GLN 65 14.624 18.141 11.373 446 H ASN 66 H ASN 66 14.364 15.988 5.409 447 HA ASN 66 HA ASN 66 14.253 17.763 3.059 448 HB2 ASN 66 1HB ASN 66 16.631 16.820 4.654 449 HB3 ASN 66 2HB ASN 66 16.795 17.425 3.009 450 HD21 ASN 66 1HD2 ASN 66 16.613 18.230 6.267 451 HD22 ASN 66 2HD2 ASN 66 16.480 19.944 6.097 452 H THR 67 H THR 67 15.170 14.584 4.296 453 HA THR 67 HA THR 67 16.153 13.222 2.225 454 HB THR 67 HB THR 67 15.576 12.079 4.279 455 HG1 THR 67 1HG THR 67 13.963 10.596 2.612 456 HG21 THR 67 3HG2 THR 67 13.212 11.387 4.692 457 HG22 THR 67 1HG2 THR 67 12.717 12.470 3.393 458 HG23 THR 67 2HG2 THR 67 13.485 13.122 4.841 459 H ALA 68 H ALA 68 12.836 14.367 2.447 460 HA ALA 68 HA ALA 68 12.502 14.367 -0.368 461 HB1 ALA 68 3HB ALA 68 11.211 12.543 -0.806 462 HB2 ALA 68 1HB ALA 68 12.214 11.876 0.483 463 HB3 ALA 68 2HB ALA 68 10.584 12.451 0.840 464 H THR 69 H THR 69 10.548 15.356 -1.028 465 HA THR 69 HA THR 69 8.834 16.375 1.130 466 HB THR 69 HB THR 69 8.767 18.594 0.001 467 HG1 THR 69 1HG THR 69 9.819 18.880 -1.815 468 HG21 THR 69 3HG2 THR 69 10.198 18.251 1.950 469 HG22 THR 69 1HG2 THR 69 10.952 19.366 0.811 470 HG23 THR 69 2HG2 THR 69 11.505 17.693 0.906 471 H ASN 70 H ASN 70 7.297 14.812 0.421 472 HA ASN 70 HA ASN 70 5.856 15.662 -1.995 473 HB2 ASN 70 1HB ASN 70 5.342 13.277 -2.482 474 HB3 ASN 70 2HB ASN 70 7.058 13.650 -2.616 475 HD21 ASN 70 1HD2 ASN 70 4.821 11.550 -1.361 476 HD22 ASN 70 2HD2 ASN 70 5.813 10.762 -0.187 477 HA PRO 71 HA PRO 71 2.852 15.777 1.404 478 HB2 PRO 71 1HB PRO 71 1.191 17.520 0.148 479 HB3 PRO 71 2HB PRO 71 2.635 18.034 1.028 480 HG2 PRO 71 1HG PRO 71 2.250 17.640 -1.914 481 HG3 PRO 71 2HG PRO 71 3.085 18.951 -1.061 482 HD2 PRO 71 1HD PRO 71 4.408 16.893 -2.221 483 HD3 PRO 71 2HD PRO 71 4.998 17.702 -0.755 484 HA PRO 72 HA PRO 72 -0.119 12.910 -0.122 485 HB2 PRO 72 1HB PRO 72 -2.246 13.491 1.462 486 HB3 PRO 72 2HB PRO 72 -0.806 12.656 2.056 487 HG2 PRO 72 1HG PRO 72 -1.554 15.544 2.295 488 HG3 PRO 72 2HG PRO 72 -0.857 14.464 3.517 489 HD2 PRO 72 1HD PRO 72 0.633 16.250 2.131 490 HD3 PRO 72 2HD PRO 72 1.279 14.690 2.680 491 H GLY 73 H GLY 73 -0.347 16.182 -0.678 492 HA2 GLY 73 1HA GLY 73 -1.591 16.347 -2.981 493 HA3 GLY 73 2HA GLY 73 -2.983 16.047 -1.951 494 H LEU 74 H LEU 74 -1.520 18.417 -3.529 495 HA LEU 74 HA LEU 74 -1.231 20.472 -1.603 496 HB2 LEU 74 1HB LEU 74 -1.193 21.991 -3.488 497 HB3 LEU 74 2HB LEU 74 -0.202 20.571 -3.815 498 HG LEU 74 HG LEU 74 -3.010 20.658 -4.829 499 HD11 LEU 74 1HD1 LEU 74 -2.119 21.688 -6.923 500 HD12 LEU 74 2HD1 LEU 74 -0.654 22.097 -6.031 501 HD13 LEU 74 3HD1 LEU 74 -2.202 22.785 -5.544 502 HD21 LEU 74 3HD2 LEU 74 -2.308 18.715 -5.648 503 HD22 LEU 74 1HD2 LEU 74 -0.645 19.036 -5.157 504 HD23 LEU 74 2HD2 LEU 74 -1.235 19.627 -6.711 505 H THR 75 H THR 75 -3.944 19.287 -3.478 506 HA THR 75 HA THR 75 -5.766 20.775 -1.779 507 HB THR 75 HB THR 75 -5.367 22.355 -3.615 508 HG1 THR 75 1HG THR 75 -7.890 21.091 -3.397 509 HG21 THR 75 3HG2 THR 75 -5.262 21.767 -5.771 510 HG22 THR 75 1HG2 THR 75 -6.764 20.849 -5.672 511 HG23 THR 75 2HG2 THR 75 -5.238 20.095 -5.209 512 H GLY 76 H GLY 76 -7.897 19.952 -1.783 513 HA2 GLY 76 1HA GLY 76 -9.398 18.379 -3.150 514 HA3 GLY 76 2HA GLY 76 -8.076 17.242 -2.927 515 H VAL 77 H VAL 77 -7.717 16.327 -0.894 516 HA VAL 77 HA VAL 77 -10.008 15.835 0.654 517 HB VAL 77 HB VAL 77 -8.495 14.730 2.253 518 HG11 VAL 77 1HG1 VAL 77 -9.145 13.344 0.486 519 HG12 VAL 77 2HG1 VAL 77 -8.142 14.208 -0.681 520 HG13 VAL 77 3HG1 VAL 77 -7.390 13.179 0.539 521 HG21 VAL 77 3HG2 VAL 77 -6.608 16.552 1.225 522 HG22 VAL 77 1HG2 VAL 77 -6.371 15.335 2.479 523 HG23 VAL 77 2HG2 VAL 77 -6.044 14.938 0.792 524 H GLY 78 H GLY 78 -10.644 16.531 2.687 525 HA2 GLY 78 1HA GLY 78 -10.711 17.876 4.570 526 HA3 GLY 78 2HA GLY 78 -9.106 18.464 4.163 Start of MODEL 20 1 H1 GLY 1 H GLY 1 2.741 -33.406 7.790 2 HA2 GLY 1 1HA GLY 1 2.059 -32.521 5.303 3 HA3 GLY 1 2HA GLY 1 3.205 -31.315 5.870 4 H SER 2 H SER 2 3.632 -32.938 3.617 5 HA SER 2 HA SER 2 5.041 -35.268 3.921 6 HB2 SER 2 1HB SER 2 5.337 -33.001 1.968 7 HB3 SER 2 2HB SER 2 6.397 -34.407 1.883 8 HG SER 2 HG SER 2 3.560 -34.493 1.829 9 H SER 3 H SER 3 6.787 -35.811 5.032 10 HA SER 3 HA SER 3 8.491 -33.774 6.170 11 HB2 SER 3 1HB SER 3 7.934 -35.587 7.625 12 HB3 SER 3 2HB SER 3 8.425 -36.784 6.427 13 HG SER 3 HG SER 3 10.115 -34.959 7.795 14 H GLY 4 H GLY 4 10.211 -32.984 5.166 15 HA2 GLY 4 1HA GLY 4 12.390 -34.271 4.221 16 HA3 GLY 4 2HA GLY 4 11.303 -34.312 2.840 17 H SER 5 H SER 5 12.428 -32.966 1.502 18 HA SER 5 HA SER 5 13.885 -30.765 1.919 19 HB2 SER 5 1HB SER 5 12.954 -29.829 -0.233 20 HB3 SER 5 2HB SER 5 13.494 -31.505 -0.329 21 HG SER 5 HG SER 5 11.548 -32.011 -0.897 22 H SER 6 H SER 6 13.664 -28.665 2.508 23 HA SER 6 HA SER 6 10.965 -27.626 2.999 24 HB2 SER 6 1HB SER 6 13.220 -27.387 5.003 25 HB3 SER 6 2HB SER 6 11.562 -26.820 5.200 26 HG SER 6 HG SER 6 10.892 -29.008 5.105 27 H GLY 7 H GLY 7 10.823 -25.893 1.736 28 HA2 GLY 7 1HA GLY 7 13.140 -24.059 1.645 29 HA3 GLY 7 2HA GLY 7 12.126 -24.378 0.245 30 H THR 8 H THR 8 11.538 -22.234 -0.039 31 HA THR 8 HA THR 8 9.258 -21.371 1.407 32 HB THR 8 HB THR 8 10.718 -20.651 3.138 33 HG1 THR 8 1HG THR 8 9.412 -18.962 2.956 34 HG21 THR 8 3HG2 THR 8 12.440 -18.774 1.895 35 HG22 THR 8 1HG2 THR 8 12.581 -20.291 1.009 36 HG23 THR 8 2HG2 THR 8 12.874 -20.255 2.748 37 H GLU 9 H GLU 9 8.062 -20.459 -0.120 38 HA GLU 9 HA GLU 9 9.234 -19.464 -2.546 39 HB2 GLU 9 1HB GLU 9 6.419 -19.731 -1.529 40 HB3 GLU 9 2HB GLU 9 6.765 -18.852 -3.012 41 HG2 GLU 9 1HG GLU 9 7.844 -20.874 -3.921 42 HG3 GLU 9 2HG GLU 9 7.387 -21.743 -2.457 43 H GLU 10 H GLU 10 8.536 -17.321 -3.449 44 HA GLU 10 HA GLU 10 8.921 -15.270 -1.392 45 HB2 GLU 10 1HB GLU 10 9.479 -15.421 -4.325 46 HB3 GLU 10 2HB GLU 10 9.235 -13.845 -3.586 47 HG2 GLU 10 1HG GLU 10 11.322 -15.878 -2.836 48 HG3 GLU 10 2HG GLU 10 11.584 -14.352 -3.678 49 H HIS 11 H HIS 11 7.384 -13.845 -0.872 50 HA HIS 11 HA HIS 11 5.301 -12.926 -0.715 51 HB2 HIS 11 1HB HIS 11 6.433 -11.935 -2.896 52 HB3 HIS 11 2HB HIS 11 5.124 -12.801 -3.694 53 HD2 HIS 11 2HD HIS 11 2.767 -12.033 -1.474 54 HE1 HIS 11 1HE HIS 11 3.737 -8.052 -2.571 55 HE2 HIS 11 2HE HIS 11 2.072 -9.543 -1.409 56 H VAL 12 H VAL 12 5.231 -15.695 -0.615 57 HA VAL 12 HA VAL 12 3.164 -16.659 -2.393 58 HB VAL 12 HB VAL 12 4.950 -18.173 -1.651 59 HG11 VAL 12 1HG1 VAL 12 5.630 -17.870 0.466 60 HG12 VAL 12 2HG1 VAL 12 4.060 -17.256 0.988 61 HG13 VAL 12 3HG1 VAL 12 4.333 -18.995 0.868 62 HG21 VAL 12 3HG2 VAL 12 2.767 -19.544 -0.337 63 HG22 VAL 12 1HG2 VAL 12 2.229 -18.708 -1.794 64 HG23 VAL 12 2HG2 VAL 12 3.541 -19.884 -1.884 65 H GLY 13 H GLY 13 3.395 -15.298 0.790 66 HA2 GLY 13 1HA GLY 13 1.211 -14.280 1.499 67 HA3 GLY 13 2HA GLY 13 0.529 -15.875 1.218 68 H SER 14 H SER 14 3.574 -14.959 2.792 69 HA SER 14 HA SER 14 2.836 -16.616 5.073 70 HB2 SER 14 1HB SER 14 5.080 -16.871 4.050 71 HB3 SER 14 2HB SER 14 5.448 -15.201 4.480 72 HG SER 14 HG SER 14 6.195 -16.856 5.990 73 H GLY 15 H GLY 15 1.456 -15.511 6.369 74 HA2 GLY 15 1HA GLY 15 0.588 -13.715 7.575 75 HA3 GLY 15 2HA GLY 15 2.166 -13.856 8.336 76 H LEU 16 H LEU 16 1.118 -12.635 5.158 77 HA LEU 16 HA LEU 16 2.504 -10.114 5.795 78 HB2 LEU 16 1HB LEU 16 2.577 -9.942 3.211 79 HB3 LEU 16 2HB LEU 16 3.739 -10.964 4.054 80 HG LEU 16 HG LEU 16 2.551 -12.947 3.416 81 HD11 LEU 16 1HD1 LEU 16 0.313 -12.666 3.396 82 HD12 LEU 16 2HD1 LEU 16 0.586 -12.391 1.676 83 HD13 LEU 16 3HD1 LEU 16 0.412 -11.020 2.772 84 HD21 LEU 16 3HD2 LEU 16 3.638 -12.885 1.484 85 HD22 LEU 16 1HD2 LEU 16 3.696 -11.124 1.570 86 HD23 LEU 16 2HD2 LEU 16 2.340 -11.923 0.774 87 H GLU 17 H GLU 17 -0.478 -11.448 5.451 88 HA GLU 17 HA GLU 17 -2.061 -10.008 3.834 89 HB2 GLU 17 1HB GLU 17 -3.834 -10.114 5.549 90 HB3 GLU 17 2HB GLU 17 -2.967 -11.635 5.389 91 HG2 GLU 17 1HG GLU 17 -1.532 -10.658 7.354 92 HG3 GLU 17 2HG GLU 17 -2.972 -9.679 7.628 93 H CYS 18 H CYS 18 -2.958 -7.988 3.688 94 HA CYS 18 HA CYS 18 -1.489 -5.794 4.569 95 HB2 CYS 18 1HB CYS 18 -2.819 -5.330 2.728 96 HB3 CYS 18 2HB CYS 18 -4.226 -6.139 3.411 97 HA PRO 19 HA PRO 19 -2.766 -5.484 8.802 98 HB2 PRO 19 1HB PRO 19 -1.628 -3.072 9.304 99 HB3 PRO 19 2HB PRO 19 -0.695 -4.569 9.189 100 HG2 PRO 19 1HG PRO 19 -1.109 -2.434 7.132 101 HG3 PRO 19 2HG PRO 19 0.378 -3.298 7.564 102 HD2 PRO 19 1HD PRO 19 -1.102 -3.941 5.389 103 HD3 PRO 19 2HD PRO 19 -0.186 -5.150 6.312 104 H VAL 20 H VAL 20 -3.309 -2.924 6.439 105 HA VAL 20 HA VAL 20 -4.951 -1.215 7.852 106 HB VAL 20 HB VAL 20 -5.512 -1.960 4.989 107 HG11 VAL 20 1HG1 VAL 20 -6.241 0.212 6.795 108 HG12 VAL 20 2HG1 VAL 20 -5.605 0.769 5.246 109 HG13 VAL 20 3HG1 VAL 20 -6.996 -0.315 5.292 110 HG21 VAL 20 3HG2 VAL 20 -3.026 -1.077 6.074 111 HG22 VAL 20 1HG2 VAL 20 -3.455 -1.379 4.390 112 HG23 VAL 20 2HG2 VAL 20 -3.713 0.218 5.094 113 H CYS 21 H CYS 21 -5.928 -4.074 5.966 114 HA CYS 21 HA CYS 21 -8.540 -3.984 7.318 115 HB2 CYS 21 1HB CYS 21 -9.226 -5.567 5.442 116 HB3 CYS 21 2HB CYS 21 -8.887 -3.903 4.978 117 H LYS 22 H LYS 22 -5.634 -5.775 6.965 118 HA LYS 22 HA LYS 22 -4.853 -7.655 7.982 119 HB2 LYS 22 1HB LYS 22 -7.396 -7.567 9.613 120 HB3 LYS 22 2HB LYS 22 -5.917 -8.429 10.016 121 HG2 LYS 22 1HG LYS 22 -5.753 -5.494 9.605 122 HG3 LYS 22 2HG LYS 22 -6.503 -6.093 11.086 123 HD2 LYS 22 1HD LYS 22 -4.501 -7.377 11.602 124 HD3 LYS 22 2HD LYS 22 -3.753 -6.846 10.093 125 HE2 LYS 22 1HE LYS 22 -3.358 -4.736 10.873 126 HE3 LYS 22 2HE LYS 22 -4.740 -4.763 11.967 127 HZ1 LYS 22 3HZ LYS 22 -2.558 -4.820 13.101 128 HZ2 LYS 22 1HZ LYS 22 -2.255 -6.328 12.396 129 HZ3 LYS 22 2HZ LYS 22 -3.542 -6.143 13.478 130 H GLU 23 H GLU 23 -6.288 -7.909 5.576 131 HA GLU 23 HA GLU 23 -7.832 -10.380 5.924 132 HB2 GLU 23 1HB GLU 23 -7.587 -8.484 3.586 133 HB3 GLU 23 2HB GLU 23 -8.466 -10.005 3.521 134 HG2 GLU 23 1HG GLU 23 -9.157 -8.096 5.682 135 HG3 GLU 23 2HG GLU 23 -9.663 -7.710 4.038 136 H ASP 24 H ASP 24 -6.015 -9.396 3.073 137 HA ASP 24 HA ASP 24 -3.746 -10.965 3.367 138 HB2 ASP 24 1HB ASP 24 -4.357 -12.916 1.902 139 HB3 ASP 24 2HB ASP 24 -5.120 -12.924 3.489 140 H TYR 25 H TYR 25 -2.769 -11.553 1.145 141 HA TYR 25 HA TYR 25 -3.331 -9.304 -0.656 142 HB2 TYR 25 1HB TYR 25 -0.868 -10.997 -0.239 143 HB3 TYR 25 2HB TYR 25 -1.036 -9.876 -1.585 144 HD1 TYR 25 1HD TYR 25 -2.409 -7.612 -0.239 145 HD2 TYR 25 2HD TYR 25 0.832 -10.047 1.054 146 HE1 TYR 25 1HE TYR 25 -1.606 -5.776 1.187 147 HE2 TYR 25 2HE TYR 25 1.643 -8.217 2.484 148 HH TYR 25 HH TYR 25 -0.204 -5.258 2.907 149 H ALA 26 H ALA 26 -2.359 -10.023 -3.003 150 HA ALA 26 HA ALA 26 -3.042 -12.654 -3.850 151 HB1 ALA 26 3HB ALA 26 -5.305 -12.011 -3.597 152 HB2 ALA 26 1HB ALA 26 -5.022 -10.449 -4.366 153 HB3 ALA 26 2HB ALA 26 -4.958 -11.929 -5.325 154 H LEU 27 H LEU 27 -1.956 -13.089 -5.668 155 HA LEU 27 HA LEU 27 -0.041 -11.624 -6.809 156 HB2 LEU 27 1HB LEU 27 -1.913 -13.266 -8.499 157 HB3 LEU 27 2HB LEU 27 -0.206 -12.938 -8.794 158 HG LEU 27 HG LEU 27 -0.102 -14.202 -6.384 159 HD11 LEU 27 1HD1 LEU 27 -2.340 -14.834 -6.184 160 HD12 LEU 27 2HD1 LEU 27 -1.541 -16.273 -6.816 161 HD13 LEU 27 3HD1 LEU 27 -2.477 -15.238 -7.895 162 HD21 LEU 27 3HD2 LEU 27 1.414 -14.954 -7.908 163 HD22 LEU 27 1HD2 LEU 27 0.232 -15.026 -9.216 164 HD23 LEU 27 2HD2 LEU 27 0.261 -16.288 -7.984 165 H GLY 28 H GLY 28 -3.430 -11.546 -7.903 166 HA2 GLY 28 1HA GLY 28 -2.969 -9.496 -9.837 167 HA3 GLY 28 2HA GLY 28 -4.535 -10.056 -9.270 168 H GLU 29 H GLU 29 -3.930 -9.508 -6.464 169 HA GLU 29 HA GLU 29 -4.912 -6.880 -6.312 170 HB2 GLU 29 1HB GLU 29 -3.850 -8.858 -4.349 171 HB3 GLU 29 2HB GLU 29 -4.021 -7.187 -3.830 172 HG2 GLU 29 1HG GLU 29 -6.320 -8.513 -5.171 173 HG3 GLU 29 2HG GLU 29 -5.956 -8.917 -3.495 174 H SER 30 H SER 30 -3.917 -4.995 -6.511 175 HA SER 30 HA SER 30 -1.085 -4.834 -6.850 176 HB2 SER 30 1HB SER 30 -2.720 -3.378 -8.057 177 HB3 SER 30 2HB SER 30 -3.063 -2.564 -6.530 178 HG SER 30 HG SER 30 -0.398 -2.768 -7.345 179 H VAL 31 H VAL 31 0.111 -5.229 -5.072 180 HA VAL 31 HA VAL 31 -0.609 -3.958 -2.539 181 HB VAL 31 HB VAL 31 1.569 -5.326 -1.860 182 HG11 VAL 31 1HG1 VAL 31 -0.618 -5.653 -0.882 183 HG12 VAL 31 2HG1 VAL 31 -1.159 -6.530 -2.315 184 HG13 VAL 31 3HG1 VAL 31 0.093 -7.217 -1.280 185 HG21 VAL 31 3HG2 VAL 31 1.899 -5.971 -4.290 186 HG22 VAL 31 1HG2 VAL 31 1.930 -7.290 -3.120 187 HG23 VAL 31 2HG2 VAL 31 0.492 -7.017 -4.103 188 H ARG 32 H ARG 32 0.820 -2.632 -1.384 189 HA ARG 32 HA ARG 32 3.026 -1.499 -2.975 190 HB2 ARG 32 1HB ARG 32 1.623 0.304 -2.989 191 HB3 ARG 32 2HB ARG 32 0.811 -0.180 -1.506 192 HG2 ARG 32 1HG ARG 32 2.274 0.927 -0.175 193 HG3 ARG 32 2HG ARG 32 3.630 0.688 -1.279 194 HD2 ARG 32 1HD ARG 32 2.669 2.363 -2.797 195 HD3 ARG 32 2HD ARG 32 1.341 2.614 -1.665 196 HE ARG 32 HE ARG 32 3.494 3.103 -0.136 197 HH11 ARG 32 1HH1 ARG 32 2.561 4.236 -3.293 198 HH12 ARG 32 2HH1 ARG 32 3.362 5.763 -3.125 199 HH21 ARG 32 1HH2 ARG 32 4.553 5.110 0.097 200 HH22 ARG 32 2HH2 ARG 32 4.496 6.259 -1.197 201 H GLN 33 H GLN 33 4.958 -1.252 -1.986 202 HA GLN 33 HA GLN 33 5.150 -2.199 0.786 203 HB2 GLN 33 1HB GLN 33 6.443 -3.371 -1.030 204 HB3 GLN 33 2HB GLN 33 7.387 -1.899 -1.220 205 HG2 GLN 33 1HG GLN 33 8.551 -2.231 0.686 206 HG3 GLN 33 2HG GLN 33 7.195 -2.996 1.513 207 HE21 GLN 33 1HE2 GLN 33 8.688 -4.578 2.260 208 HE22 GLN 33 2HE2 GLN 33 9.183 -5.874 1.231 209 H LEU 34 H LEU 34 6.110 -1.003 2.374 210 HA LEU 34 HA LEU 34 6.561 1.821 1.743 211 HB2 LEU 34 1HB LEU 34 5.891 0.326 4.247 212 HB3 LEU 34 2HB LEU 34 6.580 1.946 4.332 213 HG LEU 34 HG LEU 34 3.919 1.108 3.210 214 HD11 LEU 34 1HD1 LEU 34 2.998 2.475 4.869 215 HD12 LEU 34 2HD1 LEU 34 4.532 3.286 5.180 216 HD13 LEU 34 3HD1 LEU 34 4.303 1.612 5.683 217 HD21 LEU 34 3HD2 LEU 34 4.290 2.649 1.611 218 HD22 LEU 34 1HD2 LEU 34 5.611 3.409 2.499 219 HD23 LEU 34 2HD2 LEU 34 3.938 3.792 2.908 220 HA PRO 35 HA PRO 35 10.891 1.726 2.442 221 HB2 PRO 35 1HB PRO 35 11.317 4.026 3.820 222 HB3 PRO 35 2HB PRO 35 10.903 3.998 2.102 223 HG2 PRO 35 1HG PRO 35 9.137 4.494 4.467 224 HG3 PRO 35 2HG PRO 35 9.186 5.341 2.910 225 HD2 PRO 35 1HD PRO 35 7.327 3.459 3.486 226 HD3 PRO 35 2HD PRO 35 7.949 3.715 1.843 227 H CYS 36 H CYS 36 8.791 1.059 4.840 228 HA CYS 36 HA CYS 36 10.895 0.845 6.892 229 HB2 CYS 36 1HB CYS 36 8.914 0.630 8.489 230 HB3 CYS 36 2HB CYS 36 9.190 2.218 7.781 231 H ASN 37 H ASN 37 9.776 -0.962 4.584 232 HA ASN 37 HA ASN 37 9.820 -3.219 4.228 233 HB2 ASN 37 1HB ASN 37 10.076 -3.890 7.118 234 HB3 ASN 37 2HB ASN 37 10.881 -4.602 5.723 235 HD21 ASN 37 1HD2 ASN 37 12.190 -2.701 4.523 236 HD22 ASN 37 2HD2 ASN 37 13.306 -1.900 5.572 237 H HIS 38 H HIS 38 7.441 -1.649 4.946 238 HA HIS 38 HA HIS 38 5.733 -3.857 5.891 239 HB2 HIS 38 1HB HIS 38 5.511 -0.896 6.419 240 HB3 HIS 38 2HB HIS 38 4.158 -1.998 6.652 241 HD2 HIS 38 2HD HIS 38 5.678 -4.405 8.232 242 HE1 HIS 38 1HE HIS 38 6.899 -1.353 10.914 243 HE2 HIS 38 2HE HIS 38 6.688 -3.836 10.544 244 H LEU 39 H LEU 39 4.268 -4.547 4.480 245 HA LEU 39 HA LEU 39 3.810 -2.978 2.055 246 HB2 LEU 39 1HB LEU 39 3.484 -5.855 2.788 247 HB3 LEU 39 2HB LEU 39 2.589 -5.194 1.421 248 HG LEU 39 HG LEU 39 5.541 -4.799 1.521 249 HD11 LEU 39 1HD1 LEU 39 4.430 -7.345 1.784 250 HD12 LEU 39 2HD1 LEU 39 6.082 -6.940 1.319 251 HD13 LEU 39 3HD1 LEU 39 4.854 -7.191 0.079 252 HD21 LEU 39 3HD2 LEU 39 5.201 -5.130 -0.949 253 HD22 LEU 39 1HD2 LEU 39 4.399 -3.719 -0.259 254 HD23 LEU 39 2HD2 LEU 39 3.466 -5.170 -0.629 255 H PHE 40 H PHE 40 1.635 -2.820 1.173 256 HA PHE 40 HA PHE 40 -0.622 -3.302 2.882 257 HB2 PHE 40 1HB PHE 40 0.056 -0.423 2.260 258 HB3 PHE 40 2HB PHE 40 -1.297 -1.013 3.220 259 HD1 PHE 40 2HD PHE 40 2.407 -0.847 3.127 260 HD2 PHE 40 1HD PHE 40 -1.083 -1.303 5.520 261 HE1 PHE 40 2HE PHE 40 3.782 -0.675 5.160 262 HE2 PHE 40 1HE PHE 40 0.286 -1.131 7.557 263 HZ PHE 40 HZ PHE 40 2.722 -0.817 7.379 264 H HIS 41 H HIS 41 -2.571 -3.201 1.790 265 HA HIS 41 HA HIS 41 -2.582 -3.657 -0.939 266 HB2 HIS 41 1HB HIS 41 -4.750 -2.765 0.951 267 HB3 HIS 41 2HB HIS 41 -5.076 -3.047 -0.756 268 HD2 HIS 41 2HD HIS 41 -3.517 -5.857 -1.186 269 HE1 HIS 41 1HE HIS 41 -5.822 -7.220 2.105 270 HE2 HIS 41 2HE HIS 41 -4.349 -7.893 0.176 271 H ASP 42 H ASP 42 -2.692 -2.426 -2.731 272 HA ASP 42 HA ASP 42 -1.947 0.274 -2.655 273 HB2 ASP 42 1HB ASP 42 -1.502 -1.088 -4.609 274 HB3 ASP 42 2HB ASP 42 -3.226 -1.331 -4.877 275 H SER 43 H SER 43 -4.908 -1.104 -1.959 276 HA SER 43 HA SER 43 -6.370 1.352 -2.665 277 HB2 SER 43 1HB SER 43 -7.325 -0.666 -3.663 278 HB3 SER 43 2HB SER 43 -7.431 -1.422 -2.073 279 HG SER 43 HG SER 43 -9.053 -0.089 -1.527 280 H CYS 44 H CYS 44 -4.884 -0.153 -0.123 281 HA CYS 44 HA CYS 44 -6.752 0.961 1.859 282 HB2 CYS 44 1HB CYS 44 -4.623 -1.168 2.123 283 HB3 CYS 44 2HB CYS 44 -5.499 -0.489 3.490 284 H ILE 45 H ILE 45 -3.435 0.979 0.734 285 HA ILE 45 HA ILE 45 -2.572 2.776 2.842 286 HB ILE 45 HB ILE 45 -1.175 0.925 1.583 287 HG12 ILE 45 1HG1 ILE 45 0.859 2.072 2.252 288 HG13 ILE 45 2HG1 ILE 45 0.026 3.623 2.239 289 HG21 ILE 45 1HG2 ILE 45 0.226 1.882 -0.188 290 HG22 ILE 45 2HG2 ILE 45 -1.477 1.853 -0.643 291 HG23 ILE 45 3HG2 ILE 45 -0.727 3.365 -0.132 292 HD11 ILE 45 3HD1 ILE 45 0.457 2.397 4.479 293 HD12 ILE 45 1HD1 ILE 45 -1.095 3.186 4.196 294 HD13 ILE 45 2HD1 ILE 45 -0.948 1.438 4.015 295 H VAL 46 H VAL 46 -3.064 2.889 -0.672 296 HA VAL 46 HA VAL 46 -2.214 5.387 -1.316 297 HB VAL 46 HB VAL 46 -4.453 3.708 -2.298 298 HG11 VAL 46 1HG1 VAL 46 -5.682 5.676 -2.401 299 HG12 VAL 46 2HG1 VAL 46 -4.261 6.663 -2.751 300 HG13 VAL 46 3HG1 VAL 46 -4.926 5.600 -3.992 301 HG21 VAL 46 3HG2 VAL 46 -3.039 3.331 -3.986 302 HG22 VAL 46 1HG2 VAL 46 -2.735 5.052 -4.220 303 HG23 VAL 46 2HG2 VAL 46 -1.823 4.153 -3.008 304 HA PRO 47 HA PRO 47 -6.371 7.388 0.130 305 HB2 PRO 47 1HB PRO 47 -8.036 5.849 1.623 306 HB3 PRO 47 2HB PRO 47 -8.118 5.921 -0.141 307 HG2 PRO 47 1HG PRO 47 -6.835 3.862 1.613 308 HG3 PRO 47 2HG PRO 47 -7.822 3.634 0.158 309 HD2 PRO 47 1HD PRO 47 -5.119 3.485 0.122 310 HD3 PRO 47 2HD PRO 47 -6.060 4.080 -1.260 311 H TRP 48 H TRP 48 -4.314 5.425 1.994 312 HA TRP 48 HA TRP 48 -5.020 6.658 4.532 313 HB2 TRP 48 1HB TRP 48 -4.447 4.319 4.616 314 HB3 TRP 48 2HB TRP 48 -2.926 4.613 3.778 315 HD1 TRP 48 HD TRP 48 -0.883 5.479 5.210 316 HE1 TRP 48 1HE TRP 48 -0.476 5.681 7.743 317 HE3 TRP 48 3HE TRP 48 -5.682 4.848 6.854 318 HZ2 TRP 48 2HZ TRP 48 -1.990 5.586 10.124 319 HZ3 TRP 48 3HZ TRP 48 -6.118 4.917 9.275 320 HH2 TRP 48 HH TRP 48 -4.309 5.278 10.874 321 H LEU 49 H LEU 49 -2.026 6.333 2.613 322 HA LEU 49 HA LEU 49 -0.500 8.184 4.004 323 HB2 LEU 49 1HB LEU 49 -0.320 7.796 1.031 324 HB3 LEU 49 2HB LEU 49 0.973 8.204 2.158 325 HG LEU 49 HG LEU 49 -0.433 5.539 1.976 326 HD11 LEU 49 1HD1 LEU 49 1.871 4.804 1.237 327 HD12 LEU 49 2HD1 LEU 49 2.236 6.512 0.994 328 HD13 LEU 49 3HD1 LEU 49 0.941 5.748 0.072 329 HD21 LEU 49 3HD2 LEU 49 2.091 6.005 3.486 330 HD22 LEU 49 1HD2 LEU 49 0.834 4.792 3.731 331 HD23 LEU 49 2HD2 LEU 49 0.558 6.461 4.230 332 H GLU 50 H GLU 50 -2.886 8.675 1.480 333 HA GLU 50 HA GLU 50 -2.273 11.405 0.982 334 HB2 GLU 50 1HB GLU 50 -4.701 9.707 0.436 335 HB3 GLU 50 2HB GLU 50 -4.640 11.413 0.014 336 HG2 GLU 50 1HG GLU 50 -2.561 10.891 -1.309 337 HG3 GLU 50 2HG GLU 50 -2.931 9.187 -1.053 338 H GLN 51 H GLN 51 -3.363 10.005 3.725 339 HA GLN 51 HA GLN 51 -4.823 12.432 4.534 340 HB2 GLN 51 1HB GLN 51 -5.451 9.557 4.990 341 HB3 GLN 51 2HB GLN 51 -5.822 10.692 6.281 342 HG2 GLN 51 1HG GLN 51 -6.932 12.023 4.277 343 HG3 GLN 51 2HG GLN 51 -7.038 10.401 3.597 344 HE21 GLN 51 1HE2 GLN 51 -9.217 12.072 4.354 345 HE22 GLN 51 2HE2 GLN 51 -10.079 11.259 5.611 346 H HIS 52 H HIS 52 -2.652 9.830 5.501 347 HA HIS 52 HA HIS 52 -1.868 11.424 7.851 348 HB2 HIS 52 1HB HIS 52 -1.303 8.488 7.445 349 HB3 HIS 52 2HB HIS 52 -1.198 9.415 8.939 350 HD2 HIS 52 2HD HIS 52 -3.999 7.950 6.593 351 HE1 HIS 52 1HE HIS 52 -5.647 8.737 10.422 352 HE2 HIS 52 2HE HIS 52 -6.032 7.679 8.169 353 H ASP 53 H ASP 53 -0.789 9.935 4.914 354 HA ASP 53 HA ASP 53 1.179 10.002 3.775 355 HB2 ASP 53 1HB ASP 53 1.760 12.325 5.626 356 HB3 ASP 53 2HB ASP 53 2.646 11.946 4.152 357 H SER 54 H SER 54 0.966 8.268 6.053 358 HA SER 54 HA SER 54 3.783 7.734 6.445 359 HB2 SER 54 1HB SER 54 2.056 7.986 8.906 360 HB3 SER 54 2HB SER 54 3.808 7.813 8.817 361 HG SER 54 HG SER 54 2.210 10.065 8.375 362 H CYS 55 H CYS 55 3.865 5.744 8.130 363 HA CYS 55 HA CYS 55 2.347 3.670 6.828 364 HB2 CYS 55 1HB CYS 55 4.697 3.297 7.397 365 HB3 CYS 55 2HB CYS 55 4.336 3.535 9.104 366 HA PRO 56 HA PRO 56 -0.987 3.741 9.754 367 HB2 PRO 56 1HB PRO 56 -2.221 1.489 8.873 368 HB3 PRO 56 2HB PRO 56 -2.311 3.032 8.015 369 HG2 PRO 56 1HG PRO 56 -0.561 0.664 7.474 370 HG3 PRO 56 2HG PRO 56 -1.455 1.681 6.328 371 HD2 PRO 56 1HD PRO 56 1.200 1.973 6.772 372 HD3 PRO 56 2HD PRO 56 0.145 3.340 6.358 373 H VAL 57 H VAL 57 1.649 1.782 9.794 374 HA VAL 57 HA VAL 57 0.619 0.177 12.043 375 HB VAL 57 HB VAL 57 2.892 -0.480 10.163 376 HG11 VAL 57 1HG1 VAL 57 3.387 -2.343 11.424 377 HG12 VAL 57 2HG1 VAL 57 2.996 -1.168 12.681 378 HG13 VAL 57 3HG1 VAL 57 1.803 -2.374 12.197 379 HG21 VAL 57 3HG2 VAL 57 0.603 -2.306 10.456 380 HG22 VAL 57 1HG2 VAL 57 0.249 -0.769 9.667 381 HG23 VAL 57 2HG2 VAL 57 1.498 -1.828 9.014 382 H CYS 58 H CYS 58 3.840 1.154 10.866 383 HA CYS 58 HA CYS 58 4.637 1.708 13.617 384 HB2 CYS 58 1HB CYS 58 6.906 1.773 12.770 385 HB3 CYS 58 2HB CYS 58 6.101 0.334 12.153 386 H ARG 59 H ARG 59 3.603 3.361 10.824 387 HA ARG 59 HA ARG 59 3.390 5.563 10.292 388 HB2 ARG 59 1HB ARG 59 3.736 5.772 13.281 389 HB3 ARG 59 2HB ARG 59 3.417 7.172 12.265 390 HG2 ARG 59 1HG ARG 59 1.317 6.586 13.035 391 HG3 ARG 59 2HG ARG 59 1.378 5.836 11.438 392 HD2 ARG 59 1HD ARG 59 0.516 4.152 12.791 393 HD3 ARG 59 2HD ARG 59 2.230 3.753 12.684 394 HE ARG 59 HE ARG 59 2.165 5.210 14.919 395 HH11 ARG 59 1HH1 ARG 59 0.135 2.601 13.825 396 HH12 ARG 59 2HH1 ARG 59 -0.220 2.034 15.423 397 HH21 ARG 59 1HH2 ARG 59 1.705 4.472 17.028 398 HH22 ARG 59 2HH2 ARG 59 0.672 3.100 17.244 399 H LYS 60 H LYS 60 5.794 4.622 9.610 400 HA LYS 60 HA LYS 60 7.925 6.228 10.707 401 HB2 LYS 60 1HB LYS 60 8.152 3.859 9.782 402 HB3 LYS 60 2HB LYS 60 8.033 4.582 8.183 403 HG2 LYS 60 1HG LYS 60 10.285 4.558 8.379 404 HG3 LYS 60 2HG LYS 60 9.974 6.112 9.157 405 HD2 LYS 60 1HD LYS 60 9.740 4.533 11.294 406 HD3 LYS 60 2HD LYS 60 10.828 3.526 10.335 407 HE2 LYS 60 1HE LYS 60 11.386 6.442 10.745 408 HE3 LYS 60 2HE LYS 60 11.838 5.255 11.968 409 HZ1 LYS 60 3HZ LYS 60 13.257 5.944 9.699 410 HZ2 LYS 60 1HZ LYS 60 12.665 4.386 9.407 411 HZ3 LYS 60 2HZ LYS 60 13.603 4.690 10.781 412 H SER 61 H SER 61 8.605 8.149 10.004 413 HA SER 61 HA SER 61 7.152 9.718 8.232 414 HB2 SER 61 1HB SER 61 8.611 10.765 9.829 415 HB3 SER 61 2HB SER 61 10.024 9.959 9.147 416 HG SER 61 HG SER 61 9.656 11.164 7.219 417 H LEU 62 H LEU 62 6.817 9.269 6.155 418 HA LEU 62 HA LEU 62 8.766 7.875 4.559 419 HB2 LEU 62 1HB LEU 62 6.224 9.193 3.631 420 HB3 LEU 62 2HB LEU 62 7.134 7.925 2.814 421 HG LEU 62 HG LEU 62 5.651 7.589 5.421 422 HD11 LEU 62 1HD1 LEU 62 3.877 7.661 4.027 423 HD12 LEU 62 2HD1 LEU 62 4.367 6.002 3.684 424 HD13 LEU 62 3HD1 LEU 62 4.844 7.305 2.596 425 HD21 LEU 62 3HD2 LEU 62 7.362 5.809 3.750 426 HD22 LEU 62 1HD2 LEU 62 5.991 5.118 4.617 427 HD23 LEU 62 2HD2 LEU 62 7.263 5.957 5.506 428 H THR 63 H THR 63 8.156 11.110 5.345 429 HA THR 63 HA THR 63 9.679 12.035 2.997 430 HB THR 63 HB THR 63 7.446 13.015 3.051 431 HG1 THR 63 1HG THR 63 9.740 14.554 3.422 432 HG21 THR 63 3HG2 THR 63 8.199 14.236 5.704 433 HG22 THR 63 1HG2 THR 63 7.160 12.821 5.536 434 HG23 THR 63 2HG2 THR 63 6.657 14.371 4.860 435 H GLY 64 H GLY 64 11.238 11.019 4.894 436 HA2 GLY 64 1HA GLY 64 11.999 13.048 6.823 437 HA3 GLY 64 2HA GLY 64 12.742 11.468 6.618 438 H GLN 65 H GLN 65 12.286 13.520 3.861 439 HA GLN 65 HA GLN 65 15.060 14.440 3.983 440 HB2 GLN 65 1HB GLN 65 13.896 12.584 1.963 441 HB3 GLN 65 2HB GLN 65 15.044 13.794 1.407 442 HG2 GLN 65 1HG GLN 65 16.792 12.881 2.597 443 HG3 GLN 65 2HG GLN 65 15.725 12.074 3.745 444 HE21 GLN 65 1HE2 GLN 65 17.473 11.809 0.841 445 HE22 GLN 65 2HE2 GLN 65 16.992 10.205 0.420 446 H ASN 66 H ASN 66 15.522 15.979 2.115 447 HA ASN 66 HA ASN 66 13.206 17.757 1.832 448 HB2 ASN 66 1HB ASN 66 16.109 18.421 1.314 449 HB3 ASN 66 2HB ASN 66 14.769 19.550 1.496 450 HD21 ASN 66 1HD2 ASN 66 13.620 19.408 3.629 451 HD22 ASN 66 2HD2 ASN 66 14.605 19.210 5.035 452 H THR 67 H THR 67 13.183 15.563 0.165 453 HA THR 67 HA THR 67 14.362 16.109 -2.375 454 HB THR 67 HB THR 67 12.042 14.272 -1.755 455 HG1 THR 67 1HG THR 67 13.669 12.675 -1.571 456 HG21 THR 67 3HG2 THR 67 12.168 14.625 -4.105 457 HG22 THR 67 1HG2 THR 67 12.931 13.067 -3.787 458 HG23 THR 67 2HG2 THR 67 13.926 14.490 -4.097 459 H ALA 68 H ALA 68 10.916 15.980 -1.450 460 HA ALA 68 HA ALA 68 10.379 18.447 -2.856 461 HB1 ALA 68 3HB ALA 68 9.951 17.452 -4.813 462 HB2 ALA 68 1HB ALA 68 9.872 15.847 -4.087 463 HB3 ALA 68 2HB ALA 68 8.460 16.904 -4.047 464 H THR 69 H THR 69 7.990 18.974 -2.760 465 HA THR 69 HA THR 69 6.675 17.722 -0.452 466 HB THR 69 HB THR 69 5.966 19.975 0.347 467 HG1 THR 69 1HG THR 69 8.058 21.076 -1.196 468 HG21 THR 69 3HG2 THR 69 8.556 18.754 0.574 469 HG22 THR 69 1HG2 THR 69 7.630 19.633 1.790 470 HG23 THR 69 2HG2 THR 69 8.705 20.507 0.698 471 H ASN 70 H ASN 70 4.653 17.169 -0.911 472 HA ASN 70 HA ASN 70 2.971 18.859 -2.547 473 HB2 ASN 70 1HB ASN 70 2.359 16.748 -3.959 474 HB3 ASN 70 2HB ASN 70 3.780 17.695 -4.391 475 HD21 ASN 70 1HD2 ASN 70 5.767 16.792 -4.262 476 HD22 ASN 70 2HD2 ASN 70 6.052 15.144 -3.826 477 HA PRO 71 HA PRO 71 0.432 17.089 0.717 478 HB2 PRO 71 1HB PRO 71 -1.589 18.878 0.425 479 HB3 PRO 71 2HB PRO 71 -0.100 19.245 1.304 480 HG2 PRO 71 1HG PRO 71 -0.868 19.958 -1.500 481 HG3 PRO 71 2HG PRO 71 -0.074 20.958 -0.269 482 HD2 PRO 71 1HD PRO 71 1.294 19.756 -2.273 483 HD3 PRO 71 2HD PRO 71 1.996 20.024 -0.664 484 HA PRO 72 HA PRO 72 -2.037 14.554 -1.987 485 HB2 PRO 72 1HB PRO 72 -3.229 13.100 -0.029 486 HB3 PRO 72 2HB PRO 72 -1.560 12.829 -0.546 487 HG2 PRO 72 1HG PRO 72 -2.587 14.349 1.820 488 HG3 PRO 72 2HG PRO 72 -1.224 13.220 1.722 489 HD2 PRO 72 1HD PRO 72 -0.893 15.907 1.708 490 HD3 PRO 72 2HD PRO 72 0.190 14.807 0.832 491 H GLY 73 H GLY 73 -3.144 16.799 0.348 492 HA2 GLY 73 1HA GLY 73 -5.498 17.412 -1.062 493 HA3 GLY 73 2HA GLY 73 -5.916 16.363 0.285 494 H LEU 74 H LEU 74 -7.185 18.419 0.748 495 HA LEU 74 HA LEU 74 -5.513 20.334 2.233 496 HB2 LEU 74 1HB LEU 74 -7.129 21.008 0.284 497 HB3 LEU 74 2HB LEU 74 -8.364 20.870 1.535 498 HG LEU 74 HG LEU 74 -5.952 22.606 1.940 499 HD11 LEU 74 1HD1 LEU 74 -8.489 23.322 0.481 500 HD12 LEU 74 2HD1 LEU 74 -6.842 23.367 -0.149 501 HD13 LEU 74 3HD1 LEU 74 -7.335 24.497 1.112 502 HD21 LEU 74 3HD2 LEU 74 -8.112 21.878 3.528 503 HD22 LEU 74 1HD2 LEU 74 -8.505 23.501 2.960 504 HD23 LEU 74 2HD2 LEU 74 -6.989 23.209 3.813 505 H THR 75 H THR 75 -5.379 19.288 4.191 506 HA THR 75 HA THR 75 -6.091 18.266 6.135 507 HB THR 75 HB THR 75 -7.662 19.761 7.421 508 HG1 THR 75 1HG THR 75 -7.413 21.675 5.392 509 HG21 THR 75 3HG2 THR 75 -5.188 20.849 6.101 510 HG22 THR 75 1HG2 THR 75 -5.367 20.188 7.726 511 HG23 THR 75 2HG2 THR 75 -6.066 21.758 7.331 512 H GLY 76 H GLY 76 -7.375 17.067 3.935 513 HA2 GLY 76 1HA GLY 76 -9.125 15.335 4.755 514 HA3 GLY 76 2HA GLY 76 -10.162 16.752 4.811 515 H VAL 77 H VAL 77 -9.436 14.143 3.007 516 HA VAL 77 HA VAL 77 -9.651 15.427 0.401 517 HB VAL 77 HB VAL 77 -9.390 13.176 -0.530 518 HG11 VAL 77 1HG1 VAL 77 -7.373 13.776 1.631 519 HG12 VAL 77 2HG1 VAL 77 -7.105 12.764 0.210 520 HG13 VAL 77 3HG1 VAL 77 -7.400 14.493 0.020 521 HG21 VAL 77 3HG2 VAL 77 -9.028 11.248 0.885 522 HG22 VAL 77 1HG2 VAL 77 -9.218 12.239 2.331 523 HG23 VAL 77 2HG2 VAL 77 -10.592 11.970 1.259 524 H GLY 78 H GLY 78 -11.432 15.412 -0.873 525 HA2 GLY 78 1HA GLY 78 -13.591 13.626 -0.667 526 HA3 GLY 78 2HA GLY 78 -13.971 15.061 0.274
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